smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)NC(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000011391437 181255753 /nfs/dbraw/zinc/25/57/53/181255753.db2.gz ZRXAGFGOZXEJDD-UHFFFAOYSA-N 1 0 242.264 -1.072 20 0 BAADRO C[N@H+](CCC(=O)NC(N)=O)CC(=O)NC1CC1 ZINC000011437096 356419277 /nfs/dbraw/zinc/41/92/77/356419277.db2.gz ZATSZBHNSRJYIE-UHFFFAOYSA-N 1 0 242.279 -1.218 20 0 BAADRO CC(C)[N@H+](CCC(=O)NC(N)=O)CC(N)=O ZINC000011472629 188109527 /nfs/dbraw/zinc/10/95/27/188109527.db2.gz MXNAAWXEAYOSFP-UHFFFAOYSA-N 1 0 230.268 -1.233 20 0 BAADRO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCO ZINC000011483865 173288346 /nfs/dbraw/zinc/28/83/46/173288346.db2.gz MEMHYLXYWIKGGG-LURJTMIESA-N 1 0 203.242 -1.245 20 0 BAADRO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCO ZINC000011483866 173287729 /nfs/dbraw/zinc/28/77/29/173287729.db2.gz MEMHYLXYWIKGGG-ZCFIWIBFSA-N 1 0 203.242 -1.245 20 0 BAADRO [NH3+]CCC(=O)NCCN1CCOCC1 ZINC000011755121 181367822 /nfs/dbraw/zinc/36/78/22/181367822.db2.gz AZDIWEBJFGCSES-UHFFFAOYSA-N 1 0 201.270 -1.216 20 0 BAADRO CCS(=O)(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000011887441 342843986 /nfs/dbraw/zinc/84/39/86/342843986.db2.gz MKHFWISOESFMEM-ZETCQYMHSA-N 1 0 208.283 -1.004 20 0 BAADRO CCS(=O)(=O)N1CCO[C@H](C[NH3+])C1 ZINC000011887446 345053421 /nfs/dbraw/zinc/05/34/21/345053421.db2.gz MKHFWISOESFMEM-SSDOTTSWSA-N 1 0 208.283 -1.004 20 0 BAADRO CN(C)S(=O)(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000011887462 343070762 /nfs/dbraw/zinc/07/07/62/343070762.db2.gz LLIXPCOLPYIBIC-ZETCQYMHSA-N 1 0 223.298 -1.548 20 0 BAADRO CN(C)S(=O)(=O)N1CCO[C@H](C[NH3+])C1 ZINC000011887468 343070674 /nfs/dbraw/zinc/07/06/74/343070674.db2.gz LLIXPCOLPYIBIC-SSDOTTSWSA-N 1 0 223.298 -1.548 20 0 BAADRO Cc1cc(NC(=O)CNC(=O)C[NH3+])no1 ZINC000011953507 178132013 /nfs/dbraw/zinc/13/20/13/178132013.db2.gz CZXHNVZBVBRTSD-UHFFFAOYSA-N 1 0 212.209 -1.004 20 0 BAADRO C[C@H]([NH3+])C(=O)NCCN1CCOCC1 ZINC000011957365 346885500 /nfs/dbraw/zinc/88/55/00/346885500.db2.gz JCZCFMWLFJSLGL-QMMMGPOBSA-N 1 0 201.270 -1.218 20 0 BAADRO CC(C)NC(=O)CN(C)CC(=O)NC(N)=O ZINC000016354539 167045639 /nfs/dbraw/zinc/04/56/39/167045639.db2.gz PJHYGRPTORWLNA-UHFFFAOYSA-N 1 0 230.268 -1.362 20 0 BAADRO CN(CC(=O)NC(N)=O)CC(=O)N1CCCC1 ZINC000016433037 358167678 /nfs/dbraw/zinc/16/76/78/358167678.db2.gz UYILRPCBWFGYMA-UHFFFAOYSA-N 1 0 242.279 -1.265 20 0 BAADRO O=C1CN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CCN1 ZINC000019424263 643302035 /nfs/dbraw/zinc/30/20/35/643302035.db2.gz WHPOYIJCYRIWOD-QMMMGPOBSA-N 1 0 247.320 -1.500 20 0 BAADRO C[C@@H]([NH3+])C(=O)NCCN1CCOCC1 ZINC000019475162 411044176 /nfs/dbraw/zinc/04/41/76/411044176.db2.gz JCZCFMWLFJSLGL-MRVPVSSYSA-N 1 0 201.270 -1.218 20 0 BAADRO O=C(Cn1cnnn1)N1CCC[NH2+]CC1 ZINC000019511615 182073394 /nfs/dbraw/zinc/07/33/94/182073394.db2.gz HPYHSAAUHPBQPY-UHFFFAOYSA-N 1 0 210.241 -1.505 20 0 BAADRO CCS(=O)(=O)N1CCN(C(=O)C[NH3+])CC1 ZINC000019677070 353521587 /nfs/dbraw/zinc/52/15/87/353521587.db2.gz ZWEMYHCCNPUZNL-UHFFFAOYSA-N 1 0 235.309 -1.561 20 0 BAADRO CCS(=O)(=O)N1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000019677179 347339794 /nfs/dbraw/zinc/33/97/94/347339794.db2.gz LWPNKZPTRJAWSX-QMMMGPOBSA-N 1 0 249.336 -1.173 20 0 BAADRO CCS(=O)(=O)N1CCN(C(=O)CC[NH3+])CC1 ZINC000019677495 170615009 /nfs/dbraw/zinc/61/50/09/170615009.db2.gz BMQNJYPVIIGNFI-UHFFFAOYSA-N 1 0 249.336 -1.171 20 0 BAADRO CS(=O)(=O)N1CCN(C(=O)CCC[NH3+])CC1 ZINC000019677571 386436175 /nfs/dbraw/zinc/43/61/75/386436175.db2.gz NTDQCAFUSJJNFG-UHFFFAOYSA-N 1 0 249.336 -1.171 20 0 BAADRO CS(=O)(=O)NCCN1CC[NH2+]CC1 ZINC000019680813 387996274 /nfs/dbraw/zinc/99/62/74/387996274.db2.gz VEVPKZFGXDGXNV-UHFFFAOYSA-N 1 0 207.299 -1.559 20 0 BAADRO CCS(=O)(=O)NCCN1CC[NH2+]CC1 ZINC000019680815 363206158 /nfs/dbraw/zinc/20/61/58/363206158.db2.gz ULSQPLWHSWUPNZ-UHFFFAOYSA-N 1 0 221.326 -1.169 20 0 BAADRO CN(C)S(=O)(=O)NCCN1CC[NH2+]CC1 ZINC000019680823 363205955 /nfs/dbraw/zinc/20/59/55/363205955.db2.gz GYRRIEKHPKHYBL-UHFFFAOYSA-N 1 0 236.341 -1.712 20 0 BAADRO CS(=O)(=O)NCCCN1CC[NH2+]CC1 ZINC000019681030 384531682 /nfs/dbraw/zinc/53/16/82/384531682.db2.gz JVMVNTKGJBAMDQ-UHFFFAOYSA-N 1 0 221.326 -1.169 20 0 BAADRO CNC(=O)CN1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000019687654 173274661 /nfs/dbraw/zinc/27/46/61/173274661.db2.gz FNHPSGDTIIOENF-QMMMGPOBSA-N 1 0 228.296 -1.776 20 0 BAADRO CNC(=O)CN1CCN(C(=O)CCC[NH3+])CC1 ZINC000019688059 173274665 /nfs/dbraw/zinc/27/46/65/173274665.db2.gz CNLGGYMZLZQXQK-UHFFFAOYSA-N 1 0 242.323 -1.385 20 0 BAADRO O=C(CN1CCOC1=O)N1CC[NH2+]CC1 ZINC000019841359 636110156 /nfs/dbraw/zinc/11/01/56/636110156.db2.gz IBIWGFVHALUQLT-UHFFFAOYSA-N 1 0 213.237 -1.130 20 0 BAADRO COCC[NH2+]CC(=O)N1CCN(C)CC1 ZINC000020036327 174331220 /nfs/dbraw/zinc/33/12/20/174331220.db2.gz BBRZPRMBEWGISS-UHFFFAOYSA-N 1 0 215.297 -1.004 20 0 BAADRO O=C(CNC(=O)C1CC1)N1CC[NH2+]CC1 ZINC000020183809 182122030 /nfs/dbraw/zinc/12/20/30/182122030.db2.gz SZNJGPUOPLJMPR-UHFFFAOYSA-N 1 0 211.265 -1.056 20 0 BAADRO O=C(CNC(=O)[C@@H]1CCCO1)N1CC[NH2+]CC1 ZINC000020183813 182121522 /nfs/dbraw/zinc/12/15/22/182121522.db2.gz VCAVTZNSQMYXFS-VIFPVBQESA-N 1 0 241.291 -1.287 20 0 BAADRO O=C(CNC(=O)[C@H]1CCCO1)N1CC[NH2+]CC1 ZINC000020183814 182122583 /nfs/dbraw/zinc/12/25/83/182122583.db2.gz VCAVTZNSQMYXFS-SECBINFHSA-N 1 0 241.291 -1.287 20 0 BAADRO CS(=O)(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000020183852 387842659 /nfs/dbraw/zinc/84/26/59/387842659.db2.gz JIUJFNTZKWZRRM-UHFFFAOYSA-N 1 0 221.282 -2.033 20 0 BAADRO CCS(=O)(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000020183853 347411966 /nfs/dbraw/zinc/41/19/66/347411966.db2.gz RTTMJVMKFFPMBR-UHFFFAOYSA-N 1 0 235.309 -1.643 20 0 BAADRO CCCS(=O)(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000020183854 169332023 /nfs/dbraw/zinc/33/20/23/169332023.db2.gz UPVOJTFAWOOOGP-UHFFFAOYSA-N 1 0 249.336 -1.252 20 0 BAADRO CS(=O)(=O)NCCC(=O)N1CC[NH2+]CC1 ZINC000020184242 384664471 /nfs/dbraw/zinc/66/44/71/384664471.db2.gz PZCRPYKSVDKHCX-UHFFFAOYSA-N 1 0 235.309 -1.643 20 0 BAADRO CC[C@@H](CO)[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000020196011 386159140 /nfs/dbraw/zinc/15/91/40/386159140.db2.gz XSZQPTUDAKRZCP-VIFPVBQESA-N 1 0 241.291 -1.056 20 0 BAADRO CC[C@H](CO)[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000020196013 386158370 /nfs/dbraw/zinc/15/83/70/386158370.db2.gz XSZQPTUDAKRZCP-SECBINFHSA-N 1 0 241.291 -1.056 20 0 BAADRO COCCNS(=O)(=O)N1CC[NH2+]CC1 ZINC000020247321 633812953 /nfs/dbraw/zinc/81/29/53/633812953.db2.gz IITRYYVVOKAULN-UHFFFAOYSA-N 1 0 223.298 -1.628 20 0 BAADRO C[C@@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CCO1 ZINC000020247363 176313893 /nfs/dbraw/zinc/31/38/93/176313893.db2.gz OOQOQPZXCBYLIR-SECBINFHSA-N 1 0 249.336 -1.143 20 0 BAADRO C[C@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CCO1 ZINC000020247366 177272687 /nfs/dbraw/zinc/27/26/87/177272687.db2.gz OOQOQPZXCBYLIR-VIFPVBQESA-N 1 0 249.336 -1.143 20 0 BAADRO O=C1CN(S(=O)(=O)N2CC[NH2+]CC2)CCN1 ZINC000020247388 633811326 /nfs/dbraw/zinc/81/13/26/633811326.db2.gz CGLPRROHSPEBBO-UHFFFAOYSA-N 1 0 248.308 -2.432 20 0 BAADRO COC[C@@H](C)NS(=O)(=O)N1CC[NH2+]CC1 ZINC000020247464 633811808 /nfs/dbraw/zinc/81/18/08/633811808.db2.gz HFDAVNLBEVPXND-MRVPVSSYSA-N 1 0 237.325 -1.239 20 0 BAADRO COC[C@H](C)NS(=O)(=O)N1CC[NH2+]CC1 ZINC000020247467 633811241 /nfs/dbraw/zinc/81/12/41/633811241.db2.gz HFDAVNLBEVPXND-QMMMGPOBSA-N 1 0 237.325 -1.239 20 0 BAADRO O=S(=O)(NC[C@@H]1CCCO1)N1CC[NH2+]CC1 ZINC000020247757 633809016 /nfs/dbraw/zinc/80/90/16/633809016.db2.gz USZCYOQJJRZHRZ-VIFPVBQESA-N 1 0 249.336 -1.095 20 0 BAADRO O=S(=O)(NC[C@H]1CCCO1)N1CC[NH2+]CC1 ZINC000020247759 633809336 /nfs/dbraw/zinc/80/93/36/633809336.db2.gz USZCYOQJJRZHRZ-SECBINFHSA-N 1 0 249.336 -1.095 20 0 BAADRO [NH3+]CCNS(=O)(=O)N1CCOCC1 ZINC000020254486 181396609 /nfs/dbraw/zinc/39/66/09/181396609.db2.gz AAISMDXLGAKBGM-UHFFFAOYSA-N 1 0 209.271 -1.888 20 0 BAADRO O=S(=O)(NC1CC[NH2+]CC1)N1CCOCC1 ZINC000020254506 182895090 /nfs/dbraw/zinc/89/50/90/182895090.db2.gz FTIJPYHTTNSAFH-UHFFFAOYSA-N 1 0 249.336 -1.095 20 0 BAADRO CN(CCC[NH3+])S(=O)(=O)N1CCOCC1 ZINC000020254530 487762855 /nfs/dbraw/zinc/76/28/55/487762855.db2.gz FKGSNBMEHZQWGE-UHFFFAOYSA-N 1 0 237.325 -1.156 20 0 BAADRO O=S(=O)(N[C@@H]1CCC[NH2+]C1)N1CCOCC1 ZINC000020255660 383828756 /nfs/dbraw/zinc/82/87/56/383828756.db2.gz YADSTSBKCUATLI-SECBINFHSA-N 1 0 249.336 -1.095 20 0 BAADRO O=S(=O)(N[C@H]1CCC[NH2+]C1)N1CCOCC1 ZINC000020255662 343284058 /nfs/dbraw/zinc/28/40/58/343284058.db2.gz YADSTSBKCUATLI-VIFPVBQESA-N 1 0 249.336 -1.095 20 0 BAADRO [NH3+]CCCNS(=O)(=O)N1CCOCC1 ZINC000020255752 181382977 /nfs/dbraw/zinc/38/29/77/181382977.db2.gz VYYUQQJSSJEEIY-UHFFFAOYSA-N 1 0 223.298 -1.498 20 0 BAADRO C[C@H](C(=O)NC(N)=O)N1CCC[NH2+]CC1 ZINC000020385829 347442426 /nfs/dbraw/zinc/44/24/26/347442426.db2.gz TYLCADCPMQNDIK-SSDOTTSWSA-N 1 0 214.269 -1.135 20 0 BAADRO C[C@@H](C(=O)NC(N)=O)N1CCC[NH2+]CC1 ZINC000020385834 347442236 /nfs/dbraw/zinc/44/22/36/347442236.db2.gz TYLCADCPMQNDIK-ZETCQYMHSA-N 1 0 214.269 -1.135 20 0 BAADRO C[C@H](C(=O)NC(N)=O)N(C)CCC[NH3+] ZINC000020420030 371281145 /nfs/dbraw/zinc/28/11/45/371281145.db2.gz SMCSBRCIBLTBOT-ZCFIWIBFSA-N 1 0 202.258 -1.150 20 0 BAADRO C[C@@H](C(=O)NC(N)=O)N(C)CCC[NH3+] ZINC000020420031 371280955 /nfs/dbraw/zinc/28/09/55/371280955.db2.gz SMCSBRCIBLTBOT-LURJTMIESA-N 1 0 202.258 -1.150 20 0 BAADRO CN1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000020433785 173070989 /nfs/dbraw/zinc/07/09/89/173070989.db2.gz VHKJGGZWTYPLPN-DTWKUNHWSA-N 1 0 213.281 -1.517 20 0 BAADRO CCN1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000020434449 343305592 /nfs/dbraw/zinc/30/55/92/343305592.db2.gz VMRYUNQGZYARFQ-ZJUUUORDSA-N 1 0 227.308 -1.127 20 0 BAADRO CCN1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000020434450 343305764 /nfs/dbraw/zinc/30/57/64/343305764.db2.gz VMRYUNQGZYARFQ-NXEZZACHSA-N 1 0 227.308 -1.127 20 0 BAADRO CCN1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000020434451 169985681 /nfs/dbraw/zinc/98/56/81/169985681.db2.gz VMRYUNQGZYARFQ-UWVGGRQHSA-N 1 0 227.308 -1.127 20 0 BAADRO CCN1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000020434452 343305588 /nfs/dbraw/zinc/30/55/88/343305588.db2.gz VMRYUNQGZYARFQ-VHSXEESVSA-N 1 0 227.308 -1.127 20 0 BAADRO CN1C(=O)C[C@H]([NH2+]CCN2CCOCC2)C1=O ZINC000023265595 342753178 /nfs/dbraw/zinc/75/31/78/342753178.db2.gz WSRPZNICXJKAES-VIFPVBQESA-N 1 0 241.291 -1.335 20 0 BAADRO COCCN(CCOC)CC(=O)NC(N)=O ZINC000026227888 349277584 /nfs/dbraw/zinc/27/75/84/349277584.db2.gz VDJOLLNYVDSLTA-UHFFFAOYSA-N 1 0 233.268 -1.224 20 0 BAADRO CN1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000026476102 173063774 /nfs/dbraw/zinc/06/37/74/173063774.db2.gz MRWCNGLAEIHIHO-UHFFFAOYSA-N 1 0 240.307 -1.808 20 0 BAADRO CNC(=O)NC(=O)[C@@H](C)N1CC[NH2+]CC1 ZINC000026514145 173287903 /nfs/dbraw/zinc/28/79/03/173287903.db2.gz JQTLXMXFUNRMRD-SSDOTTSWSA-N 1 0 214.269 -1.264 20 0 BAADRO CNC(=O)NC(=O)[C@H](C)N1CC[NH2+]CC1 ZINC000026514147 173288220 /nfs/dbraw/zinc/28/82/20/173288220.db2.gz JQTLXMXFUNRMRD-ZETCQYMHSA-N 1 0 214.269 -1.264 20 0 BAADRO C[NH+](C)CCCNC(=O)Cn1cnnn1 ZINC000027977535 172438182 /nfs/dbraw/zinc/43/81/82/172438182.db2.gz PSJCXSLHKXHYIL-UHFFFAOYSA-N 1 0 212.257 -1.259 20 0 BAADRO CN(CCN1CC[NH2+]CC1)S(C)(=O)=O ZINC000032014006 487683291 /nfs/dbraw/zinc/68/32/91/487683291.db2.gz CLOGURPXVWOOAI-UHFFFAOYSA-N 1 0 221.326 -1.217 20 0 BAADRO COCCOCC[NH+](CCO)CCO ZINC000034111591 174353653 /nfs/dbraw/zinc/35/36/53/174353653.db2.gz PKPHMLXWPVPIOP-UHFFFAOYSA-N 1 0 207.270 -1.064 20 0 BAADRO OCC[NH+](CCO)CCCN1CCOCC1 ZINC000034114051 368262645 /nfs/dbraw/zinc/26/26/45/368262645.db2.gz UHEWOPPMWPJXKH-UHFFFAOYSA-N 1 0 232.324 -1.005 20 0 BAADRO Nc1nc(NCCOCCO)nc(N)[nH+]1 ZINC000034601593 350472214 /nfs/dbraw/zinc/47/22/14/350472214.db2.gz UWCHSXAUFIEWOJ-UHFFFAOYSA-N 1 0 214.229 -1.543 20 0 BAADRO CNC(=O)NC(=O)CN1CC[NH2+]CC1 ZINC000034938259 173287053 /nfs/dbraw/zinc/28/70/53/173287053.db2.gz BELGZHDCLZQOPK-UHFFFAOYSA-N 1 0 200.242 -1.653 20 0 BAADRO CN(C)c1nc(N)nc(CN2CC[NH2+]CC2)n1 ZINC000034958945 357964604 /nfs/dbraw/zinc/96/46/04/357964604.db2.gz UJWKMCVBMOJTMV-UHFFFAOYSA-N 1 0 237.311 -1.075 20 0 BAADRO COC(=O)CCCNC(=O)CN1CC[NH2+]CC1 ZINC000034977183 342733405 /nfs/dbraw/zinc/73/34/05/342733405.db2.gz ZBKGHTDUDJNRJQ-UHFFFAOYSA-N 1 0 243.307 -1.039 20 0 BAADRO CNC(=O)NC(=O)CN1CCC[NH2+]CC1 ZINC000034977244 173287362 /nfs/dbraw/zinc/28/73/62/173287362.db2.gz AHKVGALVRCOEIY-UHFFFAOYSA-N 1 0 214.269 -1.263 20 0 BAADRO CC[C@@H](CO)[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC000035053384 645896560 /nfs/dbraw/zinc/89/65/60/645896560.db2.gz DIQNVEFYKPQLPR-QMMMGPOBSA-N 1 0 241.291 -1.056 20 0 BAADRO CC[C@H](CO)[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC000035053385 645895715 /nfs/dbraw/zinc/89/57/15/645895715.db2.gz DIQNVEFYKPQLPR-MRVPVSSYSA-N 1 0 241.291 -1.056 20 0 BAADRO CC[C@@H](CO)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC000035114247 636792084 /nfs/dbraw/zinc/79/20/84/636792084.db2.gz DMLQQNJMOXENIM-WDSKDSINSA-N 1 0 203.242 -1.070 20 0 BAADRO CC[C@H](CO)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC000035114249 636791745 /nfs/dbraw/zinc/79/17/45/636791745.db2.gz DMLQQNJMOXENIM-NTSWFWBYSA-N 1 0 203.242 -1.070 20 0 BAADRO CC[C@@H](CO)[NH2+][C@H](C)C(=O)NC(N)=O ZINC000035114251 636790942 /nfs/dbraw/zinc/79/09/42/636790942.db2.gz DMLQQNJMOXENIM-RITPCOANSA-N 1 0 203.242 -1.070 20 0 BAADRO CC[C@H](CO)[NH2+][C@H](C)C(=O)NC(N)=O ZINC000035114253 636792321 /nfs/dbraw/zinc/79/23/21/636792321.db2.gz DMLQQNJMOXENIM-PHDIDXHHSA-N 1 0 203.242 -1.070 20 0 BAADRO C[C@H](O)C[NH2+]CC(=O)N1CCOCC1 ZINC000035114375 397955624 /nfs/dbraw/zinc/95/56/24/397955624.db2.gz BBNZLBXLHVIKLC-QMMMGPOBSA-N 1 0 202.254 -1.184 20 0 BAADRO C[C@@H](O)C[NH2+]CC(=O)N1CCOCC1 ZINC000035114377 398079368 /nfs/dbraw/zinc/07/93/68/398079368.db2.gz BBNZLBXLHVIKLC-MRVPVSSYSA-N 1 0 202.254 -1.184 20 0 BAADRO C[NH+](C)CCNC(=O)C1=NNC(=O)CC1 ZINC000035128326 383989558 /nfs/dbraw/zinc/98/95/58/383989558.db2.gz TWLRDNPXHAUVOJ-UHFFFAOYSA-N 1 0 212.253 -1.070 20 0 BAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(C)=O ZINC000035132840 170077338 /nfs/dbraw/zinc/07/73/38/170077338.db2.gz DITDBBMWIVMGSP-SSDOTTSWSA-N 1 0 244.295 -1.054 20 0 BAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(C)=O ZINC000035132841 170078436 /nfs/dbraw/zinc/07/84/36/170078436.db2.gz DITDBBMWIVMGSP-ZETCQYMHSA-N 1 0 244.295 -1.054 20 0 BAADRO Cn1c(CN2CC[NH2+]CC2)cc(=O)n(C)c1=O ZINC000035229599 344329235 /nfs/dbraw/zinc/32/92/35/344329235.db2.gz BWDSVOCRHMGKNH-UHFFFAOYSA-N 1 0 238.291 -1.511 20 0 BAADRO [NH3+]CCCC(=O)N1CCN(CCO)CC1 ZINC000035609642 181371553 /nfs/dbraw/zinc/37/15/53/181371553.db2.gz PVBASSPSLBCTEU-UHFFFAOYSA-N 1 0 215.297 -1.138 20 0 BAADRO Cn1cc(NC(=O)C(=O)N2CC[NH2+]CC2)cn1 ZINC000035738216 398165374 /nfs/dbraw/zinc/16/53/74/398165374.db2.gz VOWRERBPGKGNQS-UHFFFAOYSA-N 1 0 237.263 -1.210 20 0 BAADRO C[C@@H]1COCCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000035777117 176336913 /nfs/dbraw/zinc/33/69/13/176336913.db2.gz ZZQRBADWJYYLMS-SECBINFHSA-N 1 0 249.336 -1.143 20 0 BAADRO C[C@H]1COCCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000035777120 177293603 /nfs/dbraw/zinc/29/36/03/177293603.db2.gz ZZQRBADWJYYLMS-VIFPVBQESA-N 1 0 249.336 -1.143 20 0 BAADRO C[C@@H]1COCCN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC000035778317 176332793 /nfs/dbraw/zinc/33/27/93/176332793.db2.gz BDDHEFABDJDVIY-SECBINFHSA-N 1 0 241.291 -1.335 20 0 BAADRO CC(C)[C@H]([NH3+])C(=O)NCCNS(C)(=O)=O ZINC000035798291 387580847 /nfs/dbraw/zinc/58/08/47/387580847.db2.gz JIERNDJDWMXHFD-ZETCQYMHSA-N 1 0 237.325 -1.365 20 0 BAADRO CC(C)[C@@H]([NH3+])C(=O)NCCNS(C)(=O)=O ZINC000035798293 384420933 /nfs/dbraw/zinc/42/09/33/384420933.db2.gz JIERNDJDWMXHFD-SSDOTTSWSA-N 1 0 237.325 -1.365 20 0 BAADRO CS(=O)(=O)NCCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000035798320 398328178 /nfs/dbraw/zinc/32/81/78/398328178.db2.gz XZKNNPCZYUDAQR-QMMMGPOBSA-N 1 0 249.336 -1.206 20 0 BAADRO CS(=O)(=O)NCCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000035798323 398328215 /nfs/dbraw/zinc/32/82/15/398328215.db2.gz XZKNNPCZYUDAQR-MRVPVSSYSA-N 1 0 249.336 -1.206 20 0 BAADRO CS(=O)(=O)NCCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000035798325 398328191 /nfs/dbraw/zinc/32/81/91/398328191.db2.gz KMUDXSPFOAHBFY-MRVPVSSYSA-N 1 0 249.336 -1.349 20 0 BAADRO CS(=O)(=O)NCCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000035798334 384422256 /nfs/dbraw/zinc/42/22/56/384422256.db2.gz MOUFARBNNTXBJQ-ZETCQYMHSA-N 1 0 235.309 -1.596 20 0 BAADRO CS(=O)(=O)NCCNC(=O)[C@H]1CCC[NH2+]1 ZINC000035798337 384422766 /nfs/dbraw/zinc/42/27/66/384422766.db2.gz MOUFARBNNTXBJQ-SSDOTTSWSA-N 1 0 235.309 -1.596 20 0 BAADRO COCCN(CCOC)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000036200137 174296574 /nfs/dbraw/zinc/29/65/74/174296574.db2.gz CHTCTXNAKUNZLV-UWVGGRQHSA-N 1 0 246.307 -1.169 20 0 BAADRO COCCN(CCOC)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000036200139 174296585 /nfs/dbraw/zinc/29/65/85/174296585.db2.gz CHTCTXNAKUNZLV-VHSXEESVSA-N 1 0 246.307 -1.169 20 0 BAADRO COCCN(CCOC)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000036200141 174296239 /nfs/dbraw/zinc/29/62/39/174296239.db2.gz CHTCTXNAKUNZLV-ZJUUUORDSA-N 1 0 246.307 -1.169 20 0 BAADRO COCCN(CCOC)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000036200143 174296571 /nfs/dbraw/zinc/29/65/71/174296571.db2.gz CHTCTXNAKUNZLV-NXEZZACHSA-N 1 0 246.307 -1.169 20 0 BAADRO CCOCCNS(=O)(=O)N1CC[NH2+]CC1 ZINC000036230321 635553364 /nfs/dbraw/zinc/55/33/64/635553364.db2.gz VEVATVCSSNTBKT-UHFFFAOYSA-N 1 0 237.325 -1.238 20 0 BAADRO O=C(Cn1cnnn1)NCCC[NH2+]C1CC1 ZINC000036262866 358024742 /nfs/dbraw/zinc/02/47/42/358024742.db2.gz AZLVHLAOPYBGBD-UHFFFAOYSA-N 1 0 224.268 -1.069 20 0 BAADRO O=C(Cn1cnnn1)NCCN1CC[NH2+]CC1 ZINC000036278481 182073986 /nfs/dbraw/zinc/07/39/86/182073986.db2.gz BLSBVZMOUJHGDE-UHFFFAOYSA-N 1 0 239.283 -2.306 20 0 BAADRO O=C(Cn1cccn1)NCCN1CC[NH2+]CC1 ZINC000036278621 182068994 /nfs/dbraw/zinc/06/89/94/182068994.db2.gz FLYSMVZQHKNGGX-UHFFFAOYSA-N 1 0 237.307 -1.096 20 0 BAADRO CC[NH2+]CCCNC(=O)Cn1cnnn1 ZINC000036282009 358017909 /nfs/dbraw/zinc/01/79/09/358017909.db2.gz LHIQTHXXALWVIA-UHFFFAOYSA-N 1 0 212.257 -1.211 20 0 BAADRO CN(C(=O)Cn1cnnn1)C1CC[NH2+]CC1 ZINC000036282996 172317298 /nfs/dbraw/zinc/31/72/98/172317298.db2.gz HGGQJJHQBFAHJE-UHFFFAOYSA-N 1 0 224.268 -1.117 20 0 BAADRO CCS(=O)(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000036284313 342795153 /nfs/dbraw/zinc/79/51/53/342795153.db2.gz FCMGNQRKBJWCOD-UHFFFAOYSA-N 1 0 249.336 -1.300 20 0 BAADRO C[NH2+]CCCNS(=O)(=O)N1CCOCC1 ZINC000036284409 173349572 /nfs/dbraw/zinc/34/95/72/173349572.db2.gz JVMUDYIYDMNETD-UHFFFAOYSA-N 1 0 237.325 -1.238 20 0 BAADRO O=S(=O)(N[C@@H]1CC[NH2+]C1)N1CCOCC1 ZINC000036284513 384202049 /nfs/dbraw/zinc/20/20/49/384202049.db2.gz JYPKEEKYYNCBQC-MRVPVSSYSA-N 1 0 235.309 -1.485 20 0 BAADRO O=S(=O)(N[C@H]1CC[NH2+]C1)N1CCOCC1 ZINC000036284515 342907240 /nfs/dbraw/zinc/90/72/40/342907240.db2.gz JYPKEEKYYNCBQC-QMMMGPOBSA-N 1 0 235.309 -1.485 20 0 BAADRO O=C(Cn1cnnn1)NC[C@@H]1C[NH2+]CCO1 ZINC000036285167 182073725 /nfs/dbraw/zinc/07/37/25/182073725.db2.gz VVUWSLIVYVLXLW-ZETCQYMHSA-N 1 0 226.240 -2.222 20 0 BAADRO O=C(Cn1cnnn1)NC[C@H]1C[NH2+]CCO1 ZINC000036285169 182073962 /nfs/dbraw/zinc/07/39/62/182073962.db2.gz VVUWSLIVYVLXLW-SSDOTTSWSA-N 1 0 226.240 -2.222 20 0 BAADRO O=C(Cn1cncn1)NC[C@@H]1C[NH2+]CCO1 ZINC000036285186 182073049 /nfs/dbraw/zinc/07/30/49/182073049.db2.gz FZFPKSTUIDQRNG-QMMMGPOBSA-N 1 0 225.252 -1.617 20 0 BAADRO O=C(Cn1cncn1)NC[C@H]1C[NH2+]CCO1 ZINC000036285188 182072101 /nfs/dbraw/zinc/07/21/01/182072101.db2.gz FZFPKSTUIDQRNG-MRVPVSSYSA-N 1 0 225.252 -1.617 20 0 BAADRO O=C(Cn1cccn1)NC[C@@H]1C[NH2+]CCO1 ZINC000036285226 182068956 /nfs/dbraw/zinc/06/89/56/182068956.db2.gz CALSFZQJRRUYLV-VIFPVBQESA-N 1 0 224.264 -1.012 20 0 BAADRO O=C(Cn1cccn1)NC[C@H]1C[NH2+]CCO1 ZINC000036285229 182069576 /nfs/dbraw/zinc/06/95/76/182069576.db2.gz CALSFZQJRRUYLV-SECBINFHSA-N 1 0 224.264 -1.012 20 0 BAADRO CCOCC(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000036285781 170337913 /nfs/dbraw/zinc/33/79/13/170337913.db2.gz LPADPXODVSLXSO-UHFFFAOYSA-N 1 0 243.307 -1.087 20 0 BAADRO Cn1cc(S(=O)(=O)NCC[NH3+])cn1 ZINC000036286467 180663746 /nfs/dbraw/zinc/66/37/46/180663746.db2.gz NSMPRMHVDABKFY-UHFFFAOYSA-N 1 0 204.255 -1.343 20 0 BAADRO C[C@@H]1CN(S(=O)(=O)NCC[NH3+])C[C@H](C)O1 ZINC000036286551 177273239 /nfs/dbraw/zinc/27/32/39/177273239.db2.gz XZZIKRHVVPDQCP-OCAPTIKFSA-N 1 0 237.325 -1.111 20 0 BAADRO C[C@H]1CN(S(=O)(=O)NCC[NH3+])C[C@H](C)O1 ZINC000036286552 177273100 /nfs/dbraw/zinc/27/31/00/177273100.db2.gz XZZIKRHVVPDQCP-YUMQZZPRSA-N 1 0 237.325 -1.111 20 0 BAADRO C[C@@H]1CN(S(=O)(=O)NCC[NH3+])C[C@@H](C)O1 ZINC000036286554 176314002 /nfs/dbraw/zinc/31/40/02/176314002.db2.gz XZZIKRHVVPDQCP-HTQZYQBOSA-N 1 0 237.325 -1.111 20 0 BAADRO O=C(Cn1cnnn1)N[C@@H]1CCC[NH2+]C1 ZINC000036287127 182073696 /nfs/dbraw/zinc/07/36/96/182073696.db2.gz ONOXUCUZRKKZAH-SSDOTTSWSA-N 1 0 210.241 -1.459 20 0 BAADRO O=C(Cn1cnnn1)N[C@H]1CCC[NH2+]C1 ZINC000036287128 182073785 /nfs/dbraw/zinc/07/37/85/182073785.db2.gz ONOXUCUZRKKZAH-ZETCQYMHSA-N 1 0 210.241 -1.459 20 0 BAADRO CC[C@H](C)[C@H]([NH3+])C(=O)NCCS(N)(=O)=O ZINC000036745816 361391855 /nfs/dbraw/zinc/39/18/55/361391855.db2.gz IKONPGUDMUVZFV-BQBZGAKWSA-N 1 0 237.325 -1.236 20 0 BAADRO CC(C)C[C@@H]([NH3+])C(=O)NCCS(N)(=O)=O ZINC000036745825 712488842 /nfs/dbraw/zinc/48/88/42/712488842.db2.gz CUQHJIBJGJLZLA-SSDOTTSWSA-N 1 0 237.325 -1.236 20 0 BAADRO CC(=O)NCCNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000036746567 712488947 /nfs/dbraw/zinc/48/89/47/712488947.db2.gz JVUMOMDZVGDICH-SECBINFHSA-N 1 0 249.336 -1.206 20 0 BAADRO CC(=O)NCCNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000036746568 712488940 /nfs/dbraw/zinc/48/89/40/712488940.db2.gz JVUMOMDZVGDICH-VIFPVBQESA-N 1 0 249.336 -1.206 20 0 BAADRO CCNC(=O)CNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000036780691 712494662 /nfs/dbraw/zinc/49/46/62/712494662.db2.gz CLYSWLQBYJRVDB-MRVPVSSYSA-N 1 0 249.336 -1.206 20 0 BAADRO CCNC(=O)CNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000036780692 711925170 /nfs/dbraw/zinc/92/51/70/711925170.db2.gz CLYSWLQBYJRVDB-QMMMGPOBSA-N 1 0 249.336 -1.206 20 0 BAADRO CCCNC(=O)CNC(=O)CN1CC[NH2+]CC1 ZINC000036781327 169224331 /nfs/dbraw/zinc/22/43/31/169224331.db2.gz IZYJHEWOTZGTBV-UHFFFAOYSA-N 1 0 242.323 -1.466 20 0 BAADRO CC(C)NC(=O)CNC(=O)CN1CC[NH2+]CC1 ZINC000036782089 487876859 /nfs/dbraw/zinc/87/68/59/487876859.db2.gz AYOOOSYQDIFLCU-UHFFFAOYSA-N 1 0 242.323 -1.468 20 0 BAADRO O=C(CNC(=O)CN1CC[NH2+]CC1)NC1CC1 ZINC000036782732 487876844 /nfs/dbraw/zinc/87/68/44/487876844.db2.gz YZNFKZJPZQXQBN-UHFFFAOYSA-N 1 0 240.307 -1.714 20 0 BAADRO O=C(CN1CCCS1(=O)=O)N1CC[NH2+]CC1 ZINC000036809295 342990717 /nfs/dbraw/zinc/99/07/17/342990717.db2.gz YUBHOUPZQZMYRA-UHFFFAOYSA-N 1 0 247.320 -1.546 20 0 BAADRO CC(=O)NCC[NH2+][C@@H]1CC(=O)N(C)C1=O ZINC000036850821 358053472 /nfs/dbraw/zinc/05/34/72/358053472.db2.gz VBARWENXUMPPLZ-SSDOTTSWSA-N 1 0 213.237 -1.531 20 0 BAADRO O=C1C[C@@H]([NH2+]CCN2CCOCC2)C(=O)N1 ZINC000036853450 359685366 /nfs/dbraw/zinc/68/53/66/359685366.db2.gz XKNSZOYUFIEABW-MRVPVSSYSA-N 1 0 227.264 -1.677 20 0 BAADRO CC[C@H]([NH3+])C(=O)N1CCN(CCO)CC1 ZINC000036871685 384463028 /nfs/dbraw/zinc/46/30/28/384463028.db2.gz FBYXQNKHFNSISH-VIFPVBQESA-N 1 0 215.297 -1.140 20 0 BAADRO CC[C@@H]([NH3+])C(=O)N1CCN(CCO)CC1 ZINC000036871686 384461397 /nfs/dbraw/zinc/46/13/97/384461397.db2.gz FBYXQNKHFNSISH-SECBINFHSA-N 1 0 215.297 -1.140 20 0 BAADRO CC[C@H]([NH3+])C(=O)NCCNS(C)(=O)=O ZINC000036871761 384461009 /nfs/dbraw/zinc/46/10/09/384461009.db2.gz HOCYVHJASACJAA-LURJTMIESA-N 1 0 223.298 -1.611 20 0 BAADRO CC[C@@H]([NH3+])C(=O)NCCNS(C)(=O)=O ZINC000036871762 384462046 /nfs/dbraw/zinc/46/20/46/384462046.db2.gz HOCYVHJASACJAA-ZCFIWIBFSA-N 1 0 223.298 -1.611 20 0 BAADRO CC[C@H]([NH3+])C(=O)N1CCS(=O)(=O)CC1 ZINC000036871863 385589033 /nfs/dbraw/zinc/58/90/33/385589033.db2.gz KQSKWMAZZHMBAN-ZETCQYMHSA-N 1 0 220.294 -1.019 20 0 BAADRO O=C([C@@H]1COCCO1)N1CC[NH2+]CC1 ZINC000036900503 347969226 /nfs/dbraw/zinc/96/92/26/347969226.db2.gz NZOSYZXMJSKZKU-QMMMGPOBSA-N 1 0 200.238 -1.166 20 0 BAADRO O=C([C@H]1COCCO1)N1CC[NH2+]CC1 ZINC000036900504 347969394 /nfs/dbraw/zinc/96/93/94/347969394.db2.gz NZOSYZXMJSKZKU-MRVPVSSYSA-N 1 0 200.238 -1.166 20 0 BAADRO O=C(C(=O)N1CCSCC1)N1CC[NH2+]CC1 ZINC000036904394 387557005 /nfs/dbraw/zinc/55/70/05/387557005.db2.gz LRZNXHBDZUBZAP-UHFFFAOYSA-N 1 0 243.332 -1.006 20 0 BAADRO C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]CC2)CCO1 ZINC000036904443 176241336 /nfs/dbraw/zinc/24/13/36/176241336.db2.gz IIFJAXFFQKNILJ-SECBINFHSA-N 1 0 241.291 -1.335 20 0 BAADRO C[C@H]1CN(C(=O)C(=O)N2CC[NH2+]CC2)CCO1 ZINC000036904444 177212198 /nfs/dbraw/zinc/21/21/98/177212198.db2.gz IIFJAXFFQKNILJ-VIFPVBQESA-N 1 0 241.291 -1.335 20 0 BAADRO O=C(NCC1CC1)C(=O)N1CC[NH2+]CC1 ZINC000036904447 182136500 /nfs/dbraw/zinc/13/65/00/182136500.db2.gz SAHVJNIXPKPLBX-UHFFFAOYSA-N 1 0 211.265 -1.056 20 0 BAADRO NC(=O)CC[NH2+]CCN1CCOCC1 ZINC000036923075 181225374 /nfs/dbraw/zinc/22/53/74/181225374.db2.gz BMBIJHOHRXZMQW-UHFFFAOYSA-N 1 0 201.270 -1.216 20 0 BAADRO CCNC(=O)NC(=O)CN1CC[NH2+]CC1 ZINC000036923916 170076153 /nfs/dbraw/zinc/07/61/53/170076153.db2.gz CRCUPGYJKGPGHD-UHFFFAOYSA-N 1 0 214.269 -1.263 20 0 BAADRO COCCCNS(=O)(=O)N1CC[NH2+]CC1 ZINC000036926744 711465188 /nfs/dbraw/zinc/46/51/88/711465188.db2.gz ZVHAKWLWRPIDLZ-UHFFFAOYSA-N 1 0 237.325 -1.238 20 0 BAADRO O=C(CN1CC[NH2+]CC1)NC(=O)NC1CC1 ZINC000036946251 344484037 /nfs/dbraw/zinc/48/40/37/344484037.db2.gz WBIWNDPZPNFXGM-UHFFFAOYSA-N 1 0 226.280 -1.120 20 0 BAADRO [NH3+]CC(=O)NCCCN1CCOCC1 ZINC000036964109 181352581 /nfs/dbraw/zinc/35/25/81/181352581.db2.gz QXEPTGOAXVUWFH-UHFFFAOYSA-N 1 0 201.270 -1.216 20 0 BAADRO C[C@@H](CN1CCOCC1)NC(=O)C[NH3+] ZINC000037008663 342916154 /nfs/dbraw/zinc/91/61/54/342916154.db2.gz LAENRUWANABZRA-QMMMGPOBSA-N 1 0 201.270 -1.218 20 0 BAADRO C[C@H](CN1CCOCC1)NC(=O)C[NH3+] ZINC000037008664 342915919 /nfs/dbraw/zinc/91/59/19/342915919.db2.gz LAENRUWANABZRA-MRVPVSSYSA-N 1 0 201.270 -1.218 20 0 BAADRO CNC(=O)CN1CCC(NC(=O)[C@@H](C)[NH3+])CC1 ZINC000037020398 173273421 /nfs/dbraw/zinc/27/34/21/173273421.db2.gz DQDXOELWMBHFNA-MRVPVSSYSA-N 1 0 242.323 -1.340 20 0 BAADRO CS(=O)(=O)N1CCCN(CC[NH3+])CC1 ZINC000037039131 397968711 /nfs/dbraw/zinc/96/87/11/397968711.db2.gz NYZGAOVQUHFOAL-UHFFFAOYSA-N 1 0 221.326 -1.088 20 0 BAADRO CN(C)C(=O)CN1CCN(CC[NH3+])CC1 ZINC000037039588 172366241 /nfs/dbraw/zinc/36/62/41/172366241.db2.gz CUOSYVCVMWGYBE-UHFFFAOYSA-N 1 0 214.313 -1.349 20 0 BAADRO CN(CCC[NH3+])C(=O)CN1C(=O)CN(C)C1=O ZINC000037050670 398300505 /nfs/dbraw/zinc/30/05/05/398300505.db2.gz WBOSFIVCWGYRFZ-UHFFFAOYSA-N 1 0 242.279 -1.312 20 0 BAADRO CN(C)C(=O)CNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000037225630 712554551 /nfs/dbraw/zinc/55/45/51/712554551.db2.gz ZNGVOJNUYSVZKM-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO CN(C)C(=O)CNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000037225631 712554436 /nfs/dbraw/zinc/55/44/36/712554436.db2.gz ZNGVOJNUYSVZKM-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO CNC(=O)CN(C)CC(=O)N1CC[NH2+]CC1 ZINC000037270971 173267998 /nfs/dbraw/zinc/26/79/98/173267998.db2.gz PRPBASWTYDHYKA-UHFFFAOYSA-N 1 0 228.296 -1.904 20 0 BAADRO CN(C)C(=O)CN(C)C(=O)CN1CC[NH2+]CC1 ZINC000037271897 172362358 /nfs/dbraw/zinc/36/23/58/172362358.db2.gz ADYHAOVBKOAASL-UHFFFAOYSA-N 1 0 242.323 -1.562 20 0 BAADRO CN([C@@H]1CC[NH2+]C1)S(=O)(=O)N1CCOCC1 ZINC000037469659 344508376 /nfs/dbraw/zinc/50/83/76/344508376.db2.gz QGHRAPGYNKEYKP-SECBINFHSA-N 1 0 249.336 -1.143 20 0 BAADRO CN([C@H]1CC[NH2+]C1)S(=O)(=O)N1CCOCC1 ZINC000037469660 344508221 /nfs/dbraw/zinc/50/82/21/344508221.db2.gz QGHRAPGYNKEYKP-VIFPVBQESA-N 1 0 249.336 -1.143 20 0 BAADRO CN(C(=O)Cn1cnnn1)[C@@H]1CC[NH2+]C1 ZINC000037469721 172317398 /nfs/dbraw/zinc/31/73/98/172317398.db2.gz BZKQZNYVVGJNOY-SSDOTTSWSA-N 1 0 210.241 -1.507 20 0 BAADRO CN(C(=O)Cn1cnnn1)[C@H]1CC[NH2+]C1 ZINC000037469722 172317248 /nfs/dbraw/zinc/31/72/48/172317248.db2.gz BZKQZNYVVGJNOY-ZETCQYMHSA-N 1 0 210.241 -1.507 20 0 BAADRO CCOC(=O)CNC(=O)CN1CC[NH2+]CC1 ZINC000037472652 385658393 /nfs/dbraw/zinc/65/83/93/385658393.db2.gz ZAQNQWFNCXDHOQ-UHFFFAOYSA-N 1 0 229.280 -1.429 20 0 BAADRO C[C@H]([NH3+])CC(=O)N1CCN(CCO)CC1 ZINC000037476216 398327624 /nfs/dbraw/zinc/32/76/24/398327624.db2.gz MOXSKVIYDGBSFI-VIFPVBQESA-N 1 0 215.297 -1.140 20 0 BAADRO C[C@@H]([NH3+])CC(=O)N1CCN(CCO)CC1 ZINC000037476217 712647883 /nfs/dbraw/zinc/64/78/83/712647883.db2.gz MOXSKVIYDGBSFI-SECBINFHSA-N 1 0 215.297 -1.140 20 0 BAADRO O=C(C[NH2+]C1CC1)N1CCN(CCO)CC1 ZINC000037476957 358071291 /nfs/dbraw/zinc/07/12/91/358071291.db2.gz IXTDWNPUXMFKMY-UHFFFAOYSA-N 1 0 227.308 -1.125 20 0 BAADRO CS(=O)(=O)NCCNC(=O)C[NH2+]C1CC1 ZINC000037476986 358070893 /nfs/dbraw/zinc/07/08/93/358070893.db2.gz DPHAGEXUGSWBFO-UHFFFAOYSA-N 1 0 235.309 -1.596 20 0 BAADRO CC(C)[NH2+]CC(=O)NCCNS(C)(=O)=O ZINC000037477166 488186602 /nfs/dbraw/zinc/18/66/02/488186602.db2.gz LQWXMRIEDOYQSU-UHFFFAOYSA-N 1 0 237.325 -1.350 20 0 BAADRO C[NH2+]CCCC(=O)NCCNS(C)(=O)=O ZINC000037477750 173344034 /nfs/dbraw/zinc/34/40/34/173344034.db2.gz KILLCMWUZQPBCF-UHFFFAOYSA-N 1 0 237.325 -1.349 20 0 BAADRO O=C(C[NH2+]CC1CC1)N1CCNC(=O)C1 ZINC000037478145 182758544 /nfs/dbraw/zinc/75/85/44/182758544.db2.gz DUQJXAAFTQTTAK-UHFFFAOYSA-N 1 0 211.265 -1.056 20 0 BAADRO CS(=O)(=O)NCCNC(=O)CC[NH2+]C1CC1 ZINC000037478363 358071884 /nfs/dbraw/zinc/07/18/84/358071884.db2.gz LDCLWYWSPBVUID-UHFFFAOYSA-N 1 0 249.336 -1.206 20 0 BAADRO CS(=O)(=O)NCCNC(=O)C[NH2+]CC1CC1 ZINC000037478364 175430109 /nfs/dbraw/zinc/43/01/09/175430109.db2.gz RVSWQXYPMAJQKD-UHFFFAOYSA-N 1 0 249.336 -1.349 20 0 BAADRO CS(=O)(=O)NCCNC(=O)C1([NH3+])CCCC1 ZINC000037479510 398328441 /nfs/dbraw/zinc/32/84/41/398328441.db2.gz VOCATTJQZHEVTE-UHFFFAOYSA-N 1 0 249.336 -1.077 20 0 BAADRO CCC[C@](C)([NH3+])C(=O)NCCS(N)(=O)=O ZINC000037481469 358072580 /nfs/dbraw/zinc/07/25/80/358072580.db2.gz GGINAKBSFLFHLK-QMMMGPOBSA-N 1 0 237.325 -1.091 20 0 BAADRO CCC[C@@](C)([NH3+])C(=O)NCCS(N)(=O)=O ZINC000037481470 358072970 /nfs/dbraw/zinc/07/29/70/358072970.db2.gz GGINAKBSFLFHLK-MRVPVSSYSA-N 1 0 237.325 -1.091 20 0 BAADRO C[C@@H]1CN(C(=O)CNC(=O)C[NH3+])C[C@H](C)O1 ZINC000037481637 177216333 /nfs/dbraw/zinc/21/63/33/177216333.db2.gz YFCHVUKHTSYPOJ-OCAPTIKFSA-N 1 0 229.280 -1.303 20 0 BAADRO CC[NH+](CC)CCNC(=O)CNC(=O)C[NH3+] ZINC000037481678 344508599 /nfs/dbraw/zinc/50/85/99/344508599.db2.gz TXUHGHFGXDAGIE-UHFFFAOYSA-N 1 0 230.312 -1.481 20 0 BAADRO CC[NH+](CC)CCNC(=O)[C@H](N)CC(N)=O ZINC000037481679 343346638 /nfs/dbraw/zinc/34/66/38/343346638.db2.gz VNHIKHRPVXIGSS-MRVPVSSYSA-N 1 0 230.312 -1.353 20 0 BAADRO CC[NH+](CC)CCNC(=O)[C@@H](N)CC(N)=O ZINC000037481680 346698788 /nfs/dbraw/zinc/69/87/88/346698788.db2.gz VNHIKHRPVXIGSS-QMMMGPOBSA-N 1 0 230.312 -1.353 20 0 BAADRO [NH3+]CC(=O)NCC(=O)N1CCSCC1 ZINC000037481870 181350801 /nfs/dbraw/zinc/35/08/01/181350801.db2.gz PNAACHMUQDTCIF-UHFFFAOYSA-N 1 0 217.294 -1.363 20 0 BAADRO C[C@@H]1CN(C(=O)CNC(=O)C[NH3+])[C@H](C)CO1 ZINC000037482175 176247171 /nfs/dbraw/zinc/24/71/71/176247171.db2.gz XQYFFCKMYLEKMY-HTQZYQBOSA-N 1 0 229.280 -1.303 20 0 BAADRO C[C@@H]1CO[C@@H](C)CN1C(=O)CNC(=O)C[NH3+] ZINC000037482176 177216709 /nfs/dbraw/zinc/21/67/09/177216709.db2.gz XQYFFCKMYLEKMY-SFYZADRCSA-N 1 0 229.280 -1.303 20 0 BAADRO C[C@@H]1CN(C(=O)CNC(=O)C[NH3+])[C@@H](C)CO1 ZINC000037482177 177300690 /nfs/dbraw/zinc/30/06/90/177300690.db2.gz XQYFFCKMYLEKMY-JGVFFNPUSA-N 1 0 229.280 -1.303 20 0 BAADRO C[C@H]1CN(C(=O)CNC(=O)C[NH3+])[C@@H](C)CO1 ZINC000037482178 177216929 /nfs/dbraw/zinc/21/69/29/177216929.db2.gz XQYFFCKMYLEKMY-YUMQZZPRSA-N 1 0 229.280 -1.303 20 0 BAADRO CC[C@@H]1CN(C(=O)CNC(=O)C[NH3+])CCO1 ZINC000037482211 171063360 /nfs/dbraw/zinc/06/33/60/171063360.db2.gz YTKVPURFOHCCGF-MRVPVSSYSA-N 1 0 229.280 -1.301 20 0 BAADRO CC[C@H]1CN(C(=O)CNC(=O)C[NH3+])CCO1 ZINC000037482212 711730395 /nfs/dbraw/zinc/73/03/95/711730395.db2.gz YTKVPURFOHCCGF-QMMMGPOBSA-N 1 0 229.280 -1.301 20 0 BAADRO CC[C@@H]1COCCN1C(=O)CNC(=O)C[NH3+] ZINC000037482323 171103231 /nfs/dbraw/zinc/10/32/31/171103231.db2.gz XGZPHVPSQABRKG-MRVPVSSYSA-N 1 0 229.280 -1.301 20 0 BAADRO COC(=O)[C@H](C)NC(=O)CN1CC[NH2+]CC1 ZINC000037482540 487900728 /nfs/dbraw/zinc/90/07/28/487900728.db2.gz LPCOIQFRCRJPOI-QMMMGPOBSA-N 1 0 229.280 -1.431 20 0 BAADRO CNC(=O)CN1CCN(C(=O)C[NH2+]C)CC1 ZINC000037495174 173326327 /nfs/dbraw/zinc/32/63/27/173326327.db2.gz YLDYPQSFIJPAIM-UHFFFAOYSA-N 1 0 228.296 -1.904 20 0 BAADRO C[NH2+]CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000037495829 538963122 /nfs/dbraw/zinc/96/31/22/538963122.db2.gz ITIZJXHXGDMROO-UHFFFAOYSA-N 1 0 242.323 -1.562 20 0 BAADRO CN(C)C(=O)CN1CCN(C(=O)C[NH3+])CC1 ZINC000037498087 172364907 /nfs/dbraw/zinc/36/49/07/172364907.db2.gz SDCLZYWGJLKJNU-UHFFFAOYSA-N 1 0 228.296 -1.823 20 0 BAADRO C[NH+](C)CC(C)(C)CNC(=O)[C@H](N)CC(N)=O ZINC000037622849 172422195 /nfs/dbraw/zinc/42/21/95/172422195.db2.gz HMOBISYKAZBDBB-MRVPVSSYSA-N 1 0 244.339 -1.107 20 0 BAADRO C[NH+](C)CC(C)(C)CNC(=O)[C@@H](N)CC(N)=O ZINC000037622850 387566140 /nfs/dbraw/zinc/56/61/40/387566140.db2.gz HMOBISYKAZBDBB-QMMMGPOBSA-N 1 0 244.339 -1.107 20 0 BAADRO [NH3+]CC(=O)NCC(=O)NCCCOCC1CC1 ZINC000037626210 181352165 /nfs/dbraw/zinc/35/21/65/181352165.db2.gz UYHGUBOIWDYXHR-UHFFFAOYSA-N 1 0 243.307 -1.006 20 0 BAADRO COCCN(CCOC)C(=O)CNC(=O)C[NH3+] ZINC000037626466 174295502 /nfs/dbraw/zinc/29/55/02/174295502.db2.gz BXTKKWYDHUSGDC-UHFFFAOYSA-N 1 0 247.295 -1.817 20 0 BAADRO COC(=O)[C@@H](NC(=O)CNC(=O)C[NH3+])C(C)C ZINC000037628885 358475654 /nfs/dbraw/zinc/47/56/54/358475654.db2.gz FQTPFHLNSRFIGP-VIFPVBQESA-N 1 0 245.279 -1.625 20 0 BAADRO CCN(CC(=O)NC)C(=O)CN1CC[NH2+]CC1 ZINC000037631222 712695744 /nfs/dbraw/zinc/69/57/44/712695744.db2.gz SMAGCWOLAOUWJA-UHFFFAOYSA-N 1 0 242.323 -1.514 20 0 BAADRO CCNC(=O)[C@@H](C)NC(=O)CN1CC[NH2+]CC1 ZINC000037631234 398333328 /nfs/dbraw/zinc/33/33/28/398333328.db2.gz JHSXPSUBBKZYJG-SECBINFHSA-N 1 0 242.323 -1.468 20 0 BAADRO CCNC(=O)[C@H](C)NC(=O)CN1CC[NH2+]CC1 ZINC000037631236 398333326 /nfs/dbraw/zinc/33/33/26/398333326.db2.gz JHSXPSUBBKZYJG-VIFPVBQESA-N 1 0 242.323 -1.468 20 0 BAADRO C[C@H](NC(=O)CN1CC[NH2+]CC1)C(=O)N(C)C ZINC000037631244 344555650 /nfs/dbraw/zinc/55/56/50/344555650.db2.gz OSVACQOBIZEMBC-VIFPVBQESA-N 1 0 242.323 -1.516 20 0 BAADRO C[C@@H](NC(=O)CN1CC[NH2+]CC1)C(=O)N(C)C ZINC000037631246 385235164 /nfs/dbraw/zinc/23/51/64/385235164.db2.gz OSVACQOBIZEMBC-SECBINFHSA-N 1 0 242.323 -1.516 20 0 BAADRO COC(=O)C(C)(C)NC(=O)CN1CC[NH2+]CC1 ZINC000037631795 350277944 /nfs/dbraw/zinc/27/79/44/350277944.db2.gz IBKYGIAKDSFOJH-UHFFFAOYSA-N 1 0 243.307 -1.041 20 0 BAADRO CC[C@H](O)C[NH2+]CCNS(C)(=O)=O ZINC000037688806 358092097 /nfs/dbraw/zinc/09/20/97/358092097.db2.gz PQUCTDRBVZTWAA-ZETCQYMHSA-N 1 0 210.299 -1.104 20 0 BAADRO CC[C@@H](O)C[NH2+]CCNS(C)(=O)=O ZINC000037688807 397961610 /nfs/dbraw/zinc/96/16/10/397961610.db2.gz PQUCTDRBVZTWAA-SSDOTTSWSA-N 1 0 210.299 -1.104 20 0 BAADRO [NH3+]CCCCNS(=O)(=O)N1CCOCC1 ZINC000037714667 181377531 /nfs/dbraw/zinc/37/75/31/181377531.db2.gz LMLSGQYFIUQAFM-UHFFFAOYSA-N 1 0 237.325 -1.108 20 0 BAADRO CN(C)C(=O)CCNC(=O)CN1CC[NH2+]CC1 ZINC000037751292 398334027 /nfs/dbraw/zinc/33/40/27/398334027.db2.gz NJEXJKUESJUWQU-UHFFFAOYSA-N 1 0 242.323 -1.514 20 0 BAADRO CCNC(=O)CN(CC)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000037800335 170055971 /nfs/dbraw/zinc/05/59/71/170055971.db2.gz AHXMYEOLOBXELK-IUCAKERBSA-N 1 0 243.307 -1.306 20 0 BAADRO CCNC(=O)CN(CC)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000037800336 170056698 /nfs/dbraw/zinc/05/66/98/170056698.db2.gz AHXMYEOLOBXELK-DTWKUNHWSA-N 1 0 243.307 -1.306 20 0 BAADRO CCNC(=O)CN(CC)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000037800337 170055962 /nfs/dbraw/zinc/05/59/62/170055962.db2.gz AHXMYEOLOBXELK-BDAKNGLRSA-N 1 0 243.307 -1.306 20 0 BAADRO CCNC(=O)CN(CC)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000037800338 170056378 /nfs/dbraw/zinc/05/63/78/170056378.db2.gz AHXMYEOLOBXELK-RKDXNWHRSA-N 1 0 243.307 -1.306 20 0 BAADRO CN(C)C(=O)CN1CCN(C(=O)CC[NH3+])CC1 ZINC000037800574 172366060 /nfs/dbraw/zinc/36/60/60/172366060.db2.gz XMBYPXBGGIHBGD-UHFFFAOYSA-N 1 0 242.323 -1.432 20 0 BAADRO C[C@H]([NH3+])C(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000037800576 367929235 /nfs/dbraw/zinc/92/92/35/367929235.db2.gz GTFDWJFIUQEYNB-VIFPVBQESA-N 1 0 242.323 -1.434 20 0 BAADRO C[C@@H]([NH3+])C(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000037800577 175794489 /nfs/dbraw/zinc/79/44/89/175794489.db2.gz GTFDWJFIUQEYNB-SECBINFHSA-N 1 0 242.323 -1.434 20 0 BAADRO CNC(=O)CN1CCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000037800947 173275023 /nfs/dbraw/zinc/27/50/23/173275023.db2.gz FNHPSGDTIIOENF-MRVPVSSYSA-N 1 0 228.296 -1.776 20 0 BAADRO CC[C@H]([NH3+])C(=O)N1CCN(CC(=O)NC)CC1 ZINC000037800963 387437813 /nfs/dbraw/zinc/43/78/13/387437813.db2.gz JJMHZHZESQSBDI-VIFPVBQESA-N 1 0 242.323 -1.386 20 0 BAADRO CC[C@@H]([NH3+])C(=O)N1CCN(CC(=O)NC)CC1 ZINC000037800964 387437997 /nfs/dbraw/zinc/43/79/97/387437997.db2.gz JJMHZHZESQSBDI-SECBINFHSA-N 1 0 242.323 -1.386 20 0 BAADRO CNC(=O)CN1CCN(C(=O)C[C@H](C)[NH3+])CC1 ZINC000037800966 173274604 /nfs/dbraw/zinc/27/46/04/173274604.db2.gz SDTKRHQILNDOQK-VIFPVBQESA-N 1 0 242.323 -1.386 20 0 BAADRO CNC(=O)CN1CCN(C(=O)C[C@@H](C)[NH3+])CC1 ZINC000037800967 173274606 /nfs/dbraw/zinc/27/46/06/173274606.db2.gz SDTKRHQILNDOQK-SECBINFHSA-N 1 0 242.323 -1.386 20 0 BAADRO C[C@H]([NH3+])CC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000037802590 398334429 /nfs/dbraw/zinc/33/44/29/398334429.db2.gz YXFQXQYPGYKAAK-QMMMGPOBSA-N 1 0 249.336 -1.173 20 0 BAADRO C[C@@H]([NH3+])CC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000037802591 712760056 /nfs/dbraw/zinc/76/00/56/712760056.db2.gz YXFQXQYPGYKAAK-MRVPVSSYSA-N 1 0 249.336 -1.173 20 0 BAADRO CCNC(=O)CN1CCN(C(=O)C[NH3+])CC1 ZINC000037806160 170060238 /nfs/dbraw/zinc/06/02/38/170060238.db2.gz JEJHENDDNFVUFO-UHFFFAOYSA-N 1 0 228.296 -1.775 20 0 BAADRO CCNC(=O)CN1CCN(C(=O)CC[NH3+])CC1 ZINC000037806167 170060329 /nfs/dbraw/zinc/06/03/29/170060329.db2.gz XHSXNCZQBBTCLP-UHFFFAOYSA-N 1 0 242.323 -1.385 20 0 BAADRO CCNC(=O)CN1CCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000037806169 170059478 /nfs/dbraw/zinc/05/94/78/170059478.db2.gz CHTQGMJBGDNQTI-SECBINFHSA-N 1 0 242.323 -1.386 20 0 BAADRO CCNC(=O)CN1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000037806170 170060229 /nfs/dbraw/zinc/06/02/29/170060229.db2.gz CHTQGMJBGDNQTI-VIFPVBQESA-N 1 0 242.323 -1.386 20 0 BAADRO CCNC(=O)CN1CCN(C(=O)C[NH2+]C)CC1 ZINC000037806178 170059393 /nfs/dbraw/zinc/05/93/93/170059393.db2.gz URQNRBZJVXPUAY-UHFFFAOYSA-N 1 0 242.323 -1.514 20 0 BAADRO CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)C[NH3+] ZINC000037810895 383862289 /nfs/dbraw/zinc/86/22/89/383862289.db2.gz BUYQEYJNSBLNJU-QMMMGPOBSA-N 1 0 249.336 -1.125 20 0 BAADRO CS(=O)(=O)NC[C@H]1CCCCN1C(=O)C[NH3+] ZINC000037810896 383862767 /nfs/dbraw/zinc/86/27/67/383862767.db2.gz BUYQEYJNSBLNJU-MRVPVSSYSA-N 1 0 249.336 -1.125 20 0 BAADRO CS(=O)(=O)N[C@@H]1CCCN(C(=O)CC[NH3+])C1 ZINC000037811537 388575939 /nfs/dbraw/zinc/57/59/39/388575939.db2.gz GHUXUBZKUCJJIU-MRVPVSSYSA-N 1 0 249.336 -1.125 20 0 BAADRO CS(=O)(=O)N[C@H]1CCCN(C(=O)CC[NH3+])C1 ZINC000037811538 388575548 /nfs/dbraw/zinc/57/55/48/388575548.db2.gz GHUXUBZKUCJJIU-QMMMGPOBSA-N 1 0 249.336 -1.125 20 0 BAADRO C[C@H]([NH3+])C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000037811547 367992118 /nfs/dbraw/zinc/99/21/18/367992118.db2.gz CGPYYFUGWUATSP-YUMQZZPRSA-N 1 0 249.336 -1.126 20 0 BAADRO C[C@@H]([NH3+])C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000037811548 367992486 /nfs/dbraw/zinc/99/24/86/367992486.db2.gz CGPYYFUGWUATSP-SFYZADRCSA-N 1 0 249.336 -1.126 20 0 BAADRO C[C@H]([NH3+])C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000037811549 367992053 /nfs/dbraw/zinc/99/20/53/367992053.db2.gz CGPYYFUGWUATSP-JGVFFNPUSA-N 1 0 249.336 -1.126 20 0 BAADRO C[C@@H]([NH3+])C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000037811550 367992332 /nfs/dbraw/zinc/99/23/32/367992332.db2.gz CGPYYFUGWUATSP-HTQZYQBOSA-N 1 0 249.336 -1.126 20 0 BAADRO C[NH2+]CC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000037811567 173327031 /nfs/dbraw/zinc/32/70/31/173327031.db2.gz VPJXPXIPDJYUCE-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO C[NH2+]CC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000037811568 173326288 /nfs/dbraw/zinc/32/62/88/173326288.db2.gz VPJXPXIPDJYUCE-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO COCCN(CC(=O)N(C)C)C(=O)C[NH3+] ZINC000037811646 174285649 /nfs/dbraw/zinc/28/56/49/174285649.db2.gz VOPUNSGQZRZFQV-UHFFFAOYSA-N 1 0 217.269 -1.492 20 0 BAADRO COCCN(CC(=O)N(C)C)C(=O)CC[NH3+] ZINC000037811654 174284741 /nfs/dbraw/zinc/28/47/41/174284741.db2.gz IYFQOPZETYFDLD-UHFFFAOYSA-N 1 0 231.296 -1.102 20 0 BAADRO COCCN(CC(=O)N(C)C)C(=O)[C@H](C)[NH3+] ZINC000037811659 174284881 /nfs/dbraw/zinc/28/48/81/174284881.db2.gz BSGPHHZTJVRSHT-QMMMGPOBSA-N 1 0 231.296 -1.103 20 0 BAADRO COCCN(CC(=O)N(C)C)C(=O)[C@@H](C)[NH3+] ZINC000037811660 174284658 /nfs/dbraw/zinc/28/46/58/174284658.db2.gz BSGPHHZTJVRSHT-MRVPVSSYSA-N 1 0 231.296 -1.103 20 0 BAADRO C[NH2+]CC(=O)N(CCOC)CC(=O)N(C)C ZINC000037811671 173325574 /nfs/dbraw/zinc/32/55/74/173325574.db2.gz NLAMRCYGYFNALK-UHFFFAOYSA-N 1 0 231.296 -1.231 20 0 BAADRO CCCCN(CC(N)=O)C(=O)CNC(=O)C[NH3+] ZINC000037812878 358478083 /nfs/dbraw/zinc/47/80/83/358478083.db2.gz DIBLBSXXNAGJCW-UHFFFAOYSA-N 1 0 244.295 -1.825 20 0 BAADRO COC(=O)CCCN(C)C(=O)CNC(=O)C[NH3+] ZINC000037813247 350289772 /nfs/dbraw/zinc/28/97/72/350289772.db2.gz LXGLTAZCZSWBNN-UHFFFAOYSA-N 1 0 245.279 -1.527 20 0 BAADRO COCC(=O)N1CCN(C(=O)CC[NH3+])CC1 ZINC000037814539 174042977 /nfs/dbraw/zinc/04/29/77/174042977.db2.gz RJUWRENNBUOIBC-UHFFFAOYSA-N 1 0 229.280 -1.348 20 0 BAADRO COCC(=O)N1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000037814544 174043272 /nfs/dbraw/zinc/04/32/72/174043272.db2.gz NEHBROCAHVDXMJ-QMMMGPOBSA-N 1 0 229.280 -1.349 20 0 BAADRO COCC(=O)N1CCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000037814545 174043187 /nfs/dbraw/zinc/04/31/87/174043187.db2.gz NEHBROCAHVDXMJ-MRVPVSSYSA-N 1 0 229.280 -1.349 20 0 BAADRO C[NH2+]CC(=O)N1CCN(C(=O)COC)CC1 ZINC000037814556 173326822 /nfs/dbraw/zinc/32/68/22/173326822.db2.gz XLLIEKHOGGOCNM-UHFFFAOYSA-N 1 0 229.280 -1.477 20 0 BAADRO COC[C@H](C)N(C)C(=O)CNC(=O)C[NH3+] ZINC000037815827 342955320 /nfs/dbraw/zinc/95/53/20/342955320.db2.gz KZTLHTSZBFKPLK-ZETCQYMHSA-N 1 0 217.269 -1.445 20 0 BAADRO COC[C@@H](C)N(C)C(=O)CNC(=O)C[NH3+] ZINC000037815828 384534432 /nfs/dbraw/zinc/53/44/32/384534432.db2.gz KZTLHTSZBFKPLK-SSDOTTSWSA-N 1 0 217.269 -1.445 20 0 BAADRO CC(C)CN(CC(N)=O)C(=O)CNC(=O)C[NH3+] ZINC000037818991 346710208 /nfs/dbraw/zinc/71/02/08/346710208.db2.gz VMNYAFYQLIPXRV-UHFFFAOYSA-N 1 0 244.295 -1.969 20 0 BAADRO CCNC(=O)CN(C)C(=O)CN1CC[NH2+]CC1 ZINC000037821920 398334597 /nfs/dbraw/zinc/33/45/97/398334597.db2.gz QKFLCPOPTWIRRV-UHFFFAOYSA-N 1 0 242.323 -1.514 20 0 BAADRO COC(=O)[C@@H](C)CN(C)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000037823515 342985664 /nfs/dbraw/zinc/98/56/64/342985664.db2.gz ZHGDNOFMLJQBIZ-XHNCKOQMSA-N 1 0 244.291 -1.023 20 0 BAADRO COC(=O)[C@H](C)CN(C)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000037823516 358095268 /nfs/dbraw/zinc/09/52/68/358095268.db2.gz ZHGDNOFMLJQBIZ-HRDYMLBCSA-N 1 0 244.291 -1.023 20 0 BAADRO COC(=O)[C@@H](C)CN(C)C(=O)CNC(=O)C[NH3+] ZINC000037823579 358095146 /nfs/dbraw/zinc/09/51/46/358095146.db2.gz WXYNLONCYMQRAK-ZETCQYMHSA-N 1 0 245.279 -1.671 20 0 BAADRO COC(=O)[C@H](C)CN(C)C(=O)CNC(=O)C[NH3+] ZINC000037823580 358095018 /nfs/dbraw/zinc/09/50/18/358095018.db2.gz WXYNLONCYMQRAK-SSDOTTSWSA-N 1 0 245.279 -1.671 20 0 BAADRO COCCCNC(=O)CN(C)C(=O)C[NH3+] ZINC000037824345 174239162 /nfs/dbraw/zinc/23/91/62/174239162.db2.gz QGDFCFYPOOBQLT-UHFFFAOYSA-N 1 0 217.269 -1.444 20 0 BAADRO COCCCNC(=O)CN(C)C(=O)CC[NH3+] ZINC000037824353 174238168 /nfs/dbraw/zinc/23/81/68/174238168.db2.gz LSTBNLXUVNFCFR-UHFFFAOYSA-N 1 0 231.296 -1.054 20 0 BAADRO COCCCNC(=O)CN(C)C(=O)[C@H](C)[NH3+] ZINC000037824358 174239145 /nfs/dbraw/zinc/23/91/45/174239145.db2.gz DTUGCNBWGANSAL-QMMMGPOBSA-N 1 0 231.296 -1.055 20 0 BAADRO COCCCNC(=O)CN(C)C(=O)[C@@H](C)[NH3+] ZINC000037824359 174238815 /nfs/dbraw/zinc/23/88/15/174238815.db2.gz DTUGCNBWGANSAL-MRVPVSSYSA-N 1 0 231.296 -1.055 20 0 BAADRO C[NH2+]CC(=O)N(C)CC(=O)NCCCOC ZINC000037824370 173324298 /nfs/dbraw/zinc/32/42/98/173324298.db2.gz FNPQRZNBGVWFTM-UHFFFAOYSA-N 1 0 231.296 -1.183 20 0 BAADRO [NH3+]CC(=O)NCC(=O)N1CCN(C2CC2)CC1 ZINC000037827051 181350245 /nfs/dbraw/zinc/35/02/45/181350245.db2.gz KOJDWQKVNQJSCL-UHFFFAOYSA-N 1 0 240.307 -1.632 20 0 BAADRO NC(=O)CCNC[C@@H](O)C[NH+]1CCCC1 ZINC000037891620 358097336 /nfs/dbraw/zinc/09/73/36/358097336.db2.gz SFTDSBIEVLFZIH-SECBINFHSA-N 1 0 215.297 -1.092 20 0 BAADRO NC(=O)CCNC[C@H](O)C[NH+]1CCCC1 ZINC000037891621 358097429 /nfs/dbraw/zinc/09/74/29/358097429.db2.gz SFTDSBIEVLFZIH-VIFPVBQESA-N 1 0 215.297 -1.092 20 0 BAADRO Cc1n[nH]cc1S(=O)(=O)NCC[NH3+] ZINC000037895001 384630790 /nfs/dbraw/zinc/63/07/90/384630790.db2.gz AWANIAJCIDFGMY-UHFFFAOYSA-N 1 0 204.255 -1.045 20 0 BAADRO CN(CC(=O)N1CC[NH2+]CC1)[C@@H]1CCOC1=O ZINC000038031313 712800315 /nfs/dbraw/zinc/80/03/15/712800315.db2.gz ODLVWZDRPGKQTK-SECBINFHSA-N 1 0 241.291 -1.335 20 0 BAADRO CN(CC(=O)N1CC[NH2+]CC1)[C@H]1CCOC1=O ZINC000038031314 712800512 /nfs/dbraw/zinc/80/05/12/712800512.db2.gz ODLVWZDRPGKQTK-VIFPVBQESA-N 1 0 241.291 -1.335 20 0 BAADRO COCCN(C)CC(=O)N1CC[NH2+]CC1 ZINC000038031491 174275945 /nfs/dbraw/zinc/27/59/45/174275945.db2.gz GGAKLLMRVDRRLO-UHFFFAOYSA-N 1 0 215.297 -1.004 20 0 BAADRO CCOC(=O)CN(C)CC(=O)N1CC[NH2+]CC1 ZINC000038031500 170214632 /nfs/dbraw/zinc/21/46/32/170214632.db2.gz WNUPSUGLUNQXDS-UHFFFAOYSA-N 1 0 243.307 -1.087 20 0 BAADRO CCNC(=O)CN(C)CC(=O)N1CC[NH2+]CC1 ZINC000038031505 170054118 /nfs/dbraw/zinc/05/41/18/170054118.db2.gz OINHOCKBEMPKQH-UHFFFAOYSA-N 1 0 242.323 -1.514 20 0 BAADRO CCN(CCCNC(=O)C[NH3+])S(C)(=O)=O ZINC000038035870 386110241 /nfs/dbraw/zinc/11/02/41/386110241.db2.gz ZESPVWJJGOFXCT-UHFFFAOYSA-N 1 0 237.325 -1.267 20 0 BAADRO [NH3+]CC(=O)NCC(=O)NC[C@H]1CCCOC1 ZINC000038046128 181351623 /nfs/dbraw/zinc/35/16/23/181351623.db2.gz UCRQDBFQAXJAHX-MRVPVSSYSA-N 1 0 229.280 -1.396 20 0 BAADRO [NH3+]CC(=O)NCC(=O)NC[C@@H]1CCCOC1 ZINC000038046129 181351568 /nfs/dbraw/zinc/35/15/68/181351568.db2.gz UCRQDBFQAXJAHX-QMMMGPOBSA-N 1 0 229.280 -1.396 20 0 BAADRO COCCN(C)C(=O)CN1CC[NH2+]CC1 ZINC000038101289 398336221 /nfs/dbraw/zinc/33/62/21/398336221.db2.gz BFPNKPWEOKMQMT-UHFFFAOYSA-N 1 0 215.297 -1.004 20 0 BAADRO C[C@H]([NH3+])C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000038101499 343065544 /nfs/dbraw/zinc/06/55/44/343065544.db2.gz FSFQDYPUWYGFQW-LURJTMIESA-N 1 0 236.297 -2.319 20 0 BAADRO C[C@@H]([NH3+])C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000038101500 343065601 /nfs/dbraw/zinc/06/56/01/343065601.db2.gz FSFQDYPUWYGFQW-ZCFIWIBFSA-N 1 0 236.297 -2.319 20 0 BAADRO C[NH2+]CC(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000038101502 173326970 /nfs/dbraw/zinc/32/69/70/173326970.db2.gz NRSCUTNVERRCNA-UHFFFAOYSA-N 1 0 236.297 -2.447 20 0 BAADRO CN1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000039420146 343126190 /nfs/dbraw/zinc/12/61/90/343126190.db2.gz HRQGDUJSSJGYLC-UHFFFAOYSA-N 1 0 209.257 -1.212 20 0 BAADRO C[C@@H](CNC(=O)Cn1cnc(N)n1)[NH+](C)C ZINC000040338984 343400725 /nfs/dbraw/zinc/40/07/25/343400725.db2.gz UWVOOLYHEFFJPZ-ZETCQYMHSA-N 1 0 226.284 -1.073 20 0 BAADRO C[C@H](CNC(=O)Cn1cnc(N)n1)[NH+](C)C ZINC000040338986 373189248 /nfs/dbraw/zinc/18/92/48/373189248.db2.gz UWVOOLYHEFFJPZ-SSDOTTSWSA-N 1 0 226.284 -1.073 20 0 BAADRO C[C@@H](C[NH3+])NS(=O)(=O)N1CCOCC1 ZINC000040366542 641530400 /nfs/dbraw/zinc/53/04/00/641530400.db2.gz LOEXSPPHDKOAIY-ZETCQYMHSA-N 1 0 223.298 -1.500 20 0 BAADRO C[C@H](C[NH3+])NS(=O)(=O)N1CCOCC1 ZINC000040366543 356675106 /nfs/dbraw/zinc/67/51/06/356675106.db2.gz LOEXSPPHDKOAIY-SSDOTTSWSA-N 1 0 223.298 -1.500 20 0 BAADRO CC(C)(C[NH3+])NS(=O)(=O)N1CCOCC1 ZINC000040366641 187273120 /nfs/dbraw/zinc/27/31/20/187273120.db2.gz VUQRZTDJCMQTQE-UHFFFAOYSA-N 1 0 237.325 -1.110 20 0 BAADRO COC(=O)[C@H](NC(=O)CNC(=O)C[NH3+])C(C)C ZINC000040438702 385522855 /nfs/dbraw/zinc/52/28/55/385522855.db2.gz FQTPFHLNSRFIGP-SECBINFHSA-N 1 0 245.279 -1.625 20 0 BAADRO CCCCOCCNC(=O)CNC(=O)C[NH3+] ZINC000040507630 386662059 /nfs/dbraw/zinc/66/20/59/386662059.db2.gz MUHNPPUOICCXRI-UHFFFAOYSA-N 1 0 231.296 -1.006 20 0 BAADRO O=C(CNC(=O)c1cnccn1)N1CC[NH2+]CC1 ZINC000040507834 350371836 /nfs/dbraw/zinc/37/18/36/350371836.db2.gz PCSOMGBUXYRNNS-UHFFFAOYSA-N 1 0 249.274 -1.362 20 0 BAADRO CCOCC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000040507869 358237981 /nfs/dbraw/zinc/23/79/81/358237981.db2.gz ONZDVKGQCDJYHG-UHFFFAOYSA-N 1 0 229.280 -1.429 20 0 BAADRO CSCC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000040507870 384582802 /nfs/dbraw/zinc/58/28/02/384582802.db2.gz VSLCKUOHBWTJDK-UHFFFAOYSA-N 1 0 231.321 -1.103 20 0 BAADRO CCNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000040508001 170078525 /nfs/dbraw/zinc/07/85/25/170078525.db2.gz SAJVKQOJAOVHHJ-UHFFFAOYSA-N 1 0 214.269 -1.263 20 0 BAADRO COC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000040508011 342970725 /nfs/dbraw/zinc/97/07/25/342970725.db2.gz RUMCCEAGYJJAIM-UHFFFAOYSA-N 1 0 201.226 -1.226 20 0 BAADRO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCNC(=O)C2)C1 ZINC000040630799 358244002 /nfs/dbraw/zinc/24/40/02/358244002.db2.gz JFWUDLXNZOSOSD-JGVFFNPUSA-N 1 0 227.264 -1.678 20 0 BAADRO CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)CC(=O)N(C)C)C1 ZINC000040631692 358244640 /nfs/dbraw/zinc/24/46/40/358244640.db2.gz XSILYFLGXSTBID-DTWKUNHWSA-N 1 0 243.307 -1.090 20 0 BAADRO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC000040632190 358244688 /nfs/dbraw/zinc/24/46/88/358244688.db2.gz FZYRPJWXPGSUDQ-XHNCKOQMSA-N 1 0 243.307 -1.044 20 0 BAADRO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](C)C(=O)N(C)C)C1 ZINC000040632192 410882551 /nfs/dbraw/zinc/88/25/51/410882551.db2.gz FZYRPJWXPGSUDQ-HRDYMLBCSA-N 1 0 243.307 -1.044 20 0 BAADRO COC(=O)CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000040633926 358244038 /nfs/dbraw/zinc/24/40/38/358244038.db2.gz RLTNAWTVPFSAKN-NKWVEPMBSA-N 1 0 216.237 -1.348 20 0 BAADRO CC(C)OCCCNC(=O)CNC(=O)C[NH3+] ZINC000040830606 167219312 /nfs/dbraw/zinc/21/93/12/167219312.db2.gz DORGDFKTIRGGKX-UHFFFAOYSA-N 1 0 231.296 -1.007 20 0 BAADRO COC(=O)CCNC(=O)CN1CC[NH2+]CC1 ZINC000040859747 358247938 /nfs/dbraw/zinc/24/79/38/358247938.db2.gz MTIXVYDPLDHJAI-UHFFFAOYSA-N 1 0 229.280 -1.429 20 0 BAADRO CC(C)([NH3+])C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000040923218 187355233 /nfs/dbraw/zinc/35/52/33/187355233.db2.gz IVBMXOXRRGPVJG-UHFFFAOYSA-N 1 0 249.336 -1.173 20 0 BAADRO O=C(CNC(=O)[C@@H]1CCOC1)N1CC[NH2+]CC1 ZINC000040930267 358248509 /nfs/dbraw/zinc/24/85/09/358248509.db2.gz XONXXEZEHNLWOJ-SECBINFHSA-N 1 0 241.291 -1.429 20 0 BAADRO O=C(CNC(=O)[C@H]1CCOC1)N1CC[NH2+]CC1 ZINC000040930269 358248448 /nfs/dbraw/zinc/24/84/48/358248448.db2.gz XONXXEZEHNLWOJ-VIFPVBQESA-N 1 0 241.291 -1.429 20 0 BAADRO O=C(CN1CC[NH2+]CC1)NCc1cc[nH]n1 ZINC000041016349 409828393 /nfs/dbraw/zinc/82/83/93/409828393.db2.gz VLVLMZLMGWVVDL-UHFFFAOYSA-N 1 0 223.280 -1.069 20 0 BAADRO CNC(=O)NC(=O)CN1CCC[C@H]([NH3+])C1 ZINC000041029057 173287182 /nfs/dbraw/zinc/28/71/82/173287182.db2.gz GUKBSFFLRDSGPY-ZETCQYMHSA-N 1 0 214.269 -1.135 20 0 BAADRO CNC(=O)NC(=O)CN1CCC[C@@H]([NH3+])C1 ZINC000041029058 173287106 /nfs/dbraw/zinc/28/71/06/173287106.db2.gz GUKBSFFLRDSGPY-SSDOTTSWSA-N 1 0 214.269 -1.135 20 0 BAADRO [NH3+][C@H]1CCCN(CCN2C(=O)CNC2=O)C1 ZINC000041029263 181643697 /nfs/dbraw/zinc/64/36/97/181643697.db2.gz HVRCIRPBLLXQGP-QMMMGPOBSA-N 1 0 226.280 -1.039 20 0 BAADRO [NH3+][C@@H]1CCCN(CCN2C(=O)CNC2=O)C1 ZINC000041029264 352600053 /nfs/dbraw/zinc/60/00/53/352600053.db2.gz HVRCIRPBLLXQGP-MRVPVSSYSA-N 1 0 226.280 -1.039 20 0 BAADRO NC(=O)NC(=O)CCN1CCC[C@@H]([NH3+])C1 ZINC000041029294 181252456 /nfs/dbraw/zinc/25/24/56/181252456.db2.gz MQIINHYIMNCELK-SSDOTTSWSA-N 1 0 214.269 -1.006 20 0 BAADRO NC(=O)NC(=O)CN1CCC[C@@H]([NH3+])C1 ZINC000041029883 181254040 /nfs/dbraw/zinc/25/40/40/181254040.db2.gz HWIFCRSAISMXMD-ZCFIWIBFSA-N 1 0 200.242 -1.396 20 0 BAADRO O=S1(=O)CCCN1CCN1CC[NH2+]CC1 ZINC000041054456 636958535 /nfs/dbraw/zinc/95/85/35/636958535.db2.gz QGYHHMZXDLDZHV-UHFFFAOYSA-N 1 0 233.337 -1.073 20 0 BAADRO CN(CC[NH3+])CC(=O)N1CCOCC1 ZINC000041055630 344416955 /nfs/dbraw/zinc/41/69/55/344416955.db2.gz HOQNOARESLCGQZ-UHFFFAOYSA-N 1 0 201.270 -1.264 20 0 BAADRO CCN(CC[NH3+])S(=O)(=O)N1CCOCC1 ZINC000041055791 374102775 /nfs/dbraw/zinc/10/27/75/374102775.db2.gz LQIAPUVOWCMMPZ-UHFFFAOYSA-N 1 0 237.325 -1.156 20 0 BAADRO CCN(CC[NH3+])[C@@H](C)C(=O)NC(N)=O ZINC000041055952 350410520 /nfs/dbraw/zinc/41/05/20/350410520.db2.gz HYYCFRWQFWZGPX-LURJTMIESA-N 1 0 202.258 -1.150 20 0 BAADRO CCN(CC[NH3+])[C@H](C)C(=O)NC(N)=O ZINC000041055954 350410580 /nfs/dbraw/zinc/41/05/80/350410580.db2.gz HYYCFRWQFWZGPX-ZCFIWIBFSA-N 1 0 202.258 -1.150 20 0 BAADRO [NH3+]C[C@@H]1CN(S(=O)(=O)N2CCCC2)CCO1 ZINC000041059022 386659146 /nfs/dbraw/zinc/65/91/46/386659146.db2.gz RXNCKGVKTNUXDS-SECBINFHSA-N 1 0 249.336 -1.014 20 0 BAADRO [NH3+]C[C@H]1CN(S(=O)(=O)N2CCCC2)CCO1 ZINC000041059023 386659370 /nfs/dbraw/zinc/65/93/70/386659370.db2.gz RXNCKGVKTNUXDS-VIFPVBQESA-N 1 0 249.336 -1.014 20 0 BAADRO CCNC(=O)CN1CCO[C@H](C[NH3+])C1 ZINC000041059126 170059499 /nfs/dbraw/zinc/05/94/99/170059499.db2.gz MWCBJUZMXZEFQQ-MRVPVSSYSA-N 1 0 201.270 -1.218 20 0 BAADRO CCNC(=O)CN1CCO[C@@H](C[NH3+])C1 ZINC000041059127 170059404 /nfs/dbraw/zinc/05/94/04/170059404.db2.gz MWCBJUZMXZEFQQ-QMMMGPOBSA-N 1 0 201.270 -1.218 20 0 BAADRO CN(C)C(=O)CN1CCO[C@H](C[NH3+])C1 ZINC000041059130 172365276 /nfs/dbraw/zinc/36/52/76/172365276.db2.gz KTMBPRCHCPRVKB-MRVPVSSYSA-N 1 0 201.270 -1.266 20 0 BAADRO CN(C)C(=O)CN1CCO[C@@H](C[NH3+])C1 ZINC000041059131 172366482 /nfs/dbraw/zinc/36/64/82/172366482.db2.gz KTMBPRCHCPRVKB-QMMMGPOBSA-N 1 0 201.270 -1.266 20 0 BAADRO [NH3+]C[C@@H]1CN(CC(=O)NC2CC2)CCO1 ZINC000041059132 384656893 /nfs/dbraw/zinc/65/68/93/384656893.db2.gz MDRSLIGKESGNGH-SECBINFHSA-N 1 0 213.281 -1.076 20 0 BAADRO [NH3+]C[C@H]1CN(CC(=O)NC2CC2)CCO1 ZINC000041059133 181466914 /nfs/dbraw/zinc/46/69/14/181466914.db2.gz MDRSLIGKESGNGH-VIFPVBQESA-N 1 0 213.281 -1.076 20 0 BAADRO CNC(=O)NC(=O)[C@H](C)N1CCO[C@H](C[NH3+])C1 ZINC000041162162 173287939 /nfs/dbraw/zinc/28/79/39/173287939.db2.gz ZJDZOOWOXYDTCV-JGVFFNPUSA-N 1 0 244.295 -1.510 20 0 BAADRO CNC(=O)NC(=O)[C@@H](C)N1CCO[C@H](C[NH3+])C1 ZINC000041162163 173287896 /nfs/dbraw/zinc/28/78/96/173287896.db2.gz ZJDZOOWOXYDTCV-HTQZYQBOSA-N 1 0 244.295 -1.510 20 0 BAADRO [NH3+]C[C@@H]1CN(CC(=O)N2CCOCC2)CCO1 ZINC000041162218 636973178 /nfs/dbraw/zinc/97/31/78/636973178.db2.gz QRAFROFZPQJFKO-SNVBAGLBSA-N 1 0 243.307 -1.495 20 0 BAADRO [NH3+]C[C@H]1CN(CC(=O)N2CCOCC2)CCO1 ZINC000041162219 636974600 /nfs/dbraw/zinc/97/46/00/636974600.db2.gz QRAFROFZPQJFKO-JTQLQIEISA-N 1 0 243.307 -1.495 20 0 BAADRO COCCN1C[C@H](C(=O)NCC[NH3+])CC1=O ZINC000041251261 174318614 /nfs/dbraw/zinc/31/86/14/174318614.db2.gz SIYMZPWLQAMCAE-MRVPVSSYSA-N 1 0 229.280 -1.444 20 0 BAADRO COCCN1C[C@@H](C(=O)NCC[NH3+])CC1=O ZINC000041251263 174316989 /nfs/dbraw/zinc/31/69/89/174316989.db2.gz SIYMZPWLQAMCAE-QMMMGPOBSA-N 1 0 229.280 -1.444 20 0 BAADRO CCNC(=O)N1CCN(C(=O)C[NH3+])CC1 ZINC000041637175 170073325 /nfs/dbraw/zinc/07/33/25/170073325.db2.gz QHCUSYOPNPKGFE-UHFFFAOYSA-N 1 0 214.269 -1.181 20 0 BAADRO CNC(=O)CN1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000041665008 358334011 /nfs/dbraw/zinc/33/40/11/358334011.db2.gz WXVCZIGDYATILW-UHFFFAOYSA-N 1 0 242.323 -1.386 20 0 BAADRO CCOC(=O)CCNC(=O)CN1CC[NH2+]CC1 ZINC000041679972 351560532 /nfs/dbraw/zinc/56/05/32/351560532.db2.gz IPVOQUFQAFSPND-UHFFFAOYSA-N 1 0 243.307 -1.039 20 0 BAADRO CCOC(=O)CCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000041679990 170208184 /nfs/dbraw/zinc/20/81/84/170208184.db2.gz KIPXOPXJVVCGLN-YUMQZZPRSA-N 1 0 230.264 -1.221 20 0 BAADRO CCOC(=O)CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000041679991 170208572 /nfs/dbraw/zinc/20/85/72/170208572.db2.gz KIPXOPXJVVCGLN-JGVFFNPUSA-N 1 0 230.264 -1.221 20 0 BAADRO CCOC(=O)CCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000041679992 170208417 /nfs/dbraw/zinc/20/84/17/170208417.db2.gz KIPXOPXJVVCGLN-SFYZADRCSA-N 1 0 230.264 -1.221 20 0 BAADRO CCOC(=O)CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000041679993 170208441 /nfs/dbraw/zinc/20/84/41/170208441.db2.gz KIPXOPXJVVCGLN-HTQZYQBOSA-N 1 0 230.264 -1.221 20 0 BAADRO O=C(Cn1cnnn1)NCC[NH+]1CCCC1 ZINC000041905323 342754391 /nfs/dbraw/zinc/75/43/91/342754391.db2.gz MHLHDZZTHJLKSS-UHFFFAOYSA-N 1 0 224.268 -1.115 20 0 BAADRO CS(=O)(=O)NCCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000042166132 386674172 /nfs/dbraw/zinc/67/41/72/386674172.db2.gz RJHLMAHFELJEJQ-QMMMGPOBSA-N 1 0 249.336 -1.206 20 0 BAADRO CS(=O)(=O)NCCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000042166133 386674165 /nfs/dbraw/zinc/67/41/65/386674165.db2.gz RJHLMAHFELJEJQ-MRVPVSSYSA-N 1 0 249.336 -1.206 20 0 BAADRO COCCN(C)S(=O)(=O)N1CC[NH2+]CC1 ZINC000042288243 174282622 /nfs/dbraw/zinc/28/26/22/174282622.db2.gz ROGCDOSFQXKXCV-UHFFFAOYSA-N 1 0 237.325 -1.285 20 0 BAADRO COC(=O)[C@@H](C)NC(=O)CN1CC[NH2+]CC1 ZINC000042317149 342771281 /nfs/dbraw/zinc/77/12/81/342771281.db2.gz LPCOIQFRCRJPOI-MRVPVSSYSA-N 1 0 229.280 -1.431 20 0 BAADRO O=C(CN1CC[NH2+]CC1)NCCn1ccnc1 ZINC000042373566 410996808 /nfs/dbraw/zinc/99/68/08/410996808.db2.gz BHFRCQQEGZZWNU-UHFFFAOYSA-N 1 0 237.307 -1.096 20 0 BAADRO CN(C[C@@H]1CCCO1)C(=O)CNC(=O)C[NH3+] ZINC000042465735 398172065 /nfs/dbraw/zinc/17/20/65/398172065.db2.gz SNDREXINLONIPR-QMMMGPOBSA-N 1 0 229.280 -1.301 20 0 BAADRO COC[C@@H](O)C[N@H+](C)CCOCCO ZINC000042512533 384821100 /nfs/dbraw/zinc/82/11/00/384821100.db2.gz RYAVISHTDNSMNQ-VIFPVBQESA-N 1 0 207.270 -1.066 20 0 BAADRO COC[C@H](O)C[N@H+](C)CCOCCO ZINC000042512536 344457492 /nfs/dbraw/zinc/45/74/92/344457492.db2.gz RYAVISHTDNSMNQ-SECBINFHSA-N 1 0 207.270 -1.066 20 0 BAADRO CCN(CC(=O)OC)C(=O)CN1CC[NH2+]CC1 ZINC000042528308 637278187 /nfs/dbraw/zinc/27/81/87/637278187.db2.gz AESYRUCWRNUJKT-UHFFFAOYSA-N 1 0 243.307 -1.087 20 0 BAADRO O=C(CN1CC[NH2+]CC1)NCCn1cccn1 ZINC000042542386 411014607 /nfs/dbraw/zinc/01/46/07/411014607.db2.gz MKJBQQKGHRZZST-UHFFFAOYSA-N 1 0 237.307 -1.096 20 0 BAADRO CNC(=O)[C@@H](C)NC(=O)CN1CC[NH2+]CC1 ZINC000042573019 173294637 /nfs/dbraw/zinc/29/46/37/173294637.db2.gz BAEUAMWLQNRSLQ-MRVPVSSYSA-N 1 0 228.296 -1.858 20 0 BAADRO CC(C)NC(=O)CN(C)CC(=O)NCC[NH3+] ZINC000042602170 358353187 /nfs/dbraw/zinc/35/31/87/358353187.db2.gz YTWRYLKYSMTEII-UHFFFAOYSA-N 1 0 230.312 -1.482 20 0 BAADRO COCC(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000042742161 174042421 /nfs/dbraw/zinc/04/24/21/174042421.db2.gz RSSNFDOOWDRRHA-UHFFFAOYSA-N 1 0 243.307 -1.135 20 0 BAADRO COCCS(=O)(=O)N1CCO[C@H](C[NH3+])C1 ZINC000042807346 174371924 /nfs/dbraw/zinc/37/19/24/174371924.db2.gz PUPXJGLOTVEQHA-MRVPVSSYSA-N 1 0 238.309 -1.378 20 0 BAADRO COCCS(=O)(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000042807350 174372107 /nfs/dbraw/zinc/37/21/07/174372107.db2.gz PUPXJGLOTVEQHA-QMMMGPOBSA-N 1 0 238.309 -1.378 20 0 BAADRO COCCS(=O)(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000042807841 374291358 /nfs/dbraw/zinc/29/13/58/374291358.db2.gz CVUAWRSQSXGVNM-QMMMGPOBSA-N 1 0 238.309 -1.459 20 0 BAADRO COCCS(=O)(=O)NC[C@H]1C[NH2+]CCO1 ZINC000042807845 374291593 /nfs/dbraw/zinc/29/15/93/374291593.db2.gz CVUAWRSQSXGVNM-MRVPVSSYSA-N 1 0 238.309 -1.459 20 0 BAADRO COCCS(=O)(=O)N[C@@H]1CC[NH2+]C1 ZINC000042807872 174373121 /nfs/dbraw/zinc/37/31/21/174373121.db2.gz UJJQUANCMZKPOJ-SSDOTTSWSA-N 1 0 208.283 -1.086 20 0 BAADRO COCCS(=O)(=O)N[C@H]1CC[NH2+]C1 ZINC000042807876 174373170 /nfs/dbraw/zinc/37/31/70/174373170.db2.gz UJJQUANCMZKPOJ-ZETCQYMHSA-N 1 0 208.283 -1.086 20 0 BAADRO [NH3+]CC(=O)NCC(=O)NC[C@@H]1CCCCO1 ZINC000042823491 181351616 /nfs/dbraw/zinc/35/16/16/181351616.db2.gz RHZJUMRRWXSLGU-QMMMGPOBSA-N 1 0 229.280 -1.253 20 0 BAADRO [NH3+]CC(=O)NCC(=O)NC[C@H]1CCCCO1 ZINC000042823495 181352732 /nfs/dbraw/zinc/35/27/32/181352732.db2.gz RHZJUMRRWXSLGU-MRVPVSSYSA-N 1 0 229.280 -1.253 20 0 BAADRO O=C(CN1CCCNC1=O)N1CC[NH2+]CC1 ZINC000043323558 358373472 /nfs/dbraw/zinc/37/34/72/358373472.db2.gz TZTPLVOAXVLHPZ-UHFFFAOYSA-N 1 0 226.280 -1.167 20 0 BAADRO [NH3+]CC(=O)NCC(=O)N1CCO[C@@H]2CCC[C@H]21 ZINC000043427492 181351016 /nfs/dbraw/zinc/35/10/16/181351016.db2.gz KSJSDFFBGSXEFP-RKDXNWHRSA-N 1 0 241.291 -1.159 20 0 BAADRO [NH3+]CC(=O)NCC(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000043427493 181349676 /nfs/dbraw/zinc/34/96/76/181349676.db2.gz KSJSDFFBGSXEFP-DTWKUNHWSA-N 1 0 241.291 -1.159 20 0 BAADRO [NH3+]CC(=O)NCC(=O)N1CCO[C@H]2CCC[C@H]21 ZINC000043427494 181350950 /nfs/dbraw/zinc/35/09/50/181350950.db2.gz KSJSDFFBGSXEFP-BDAKNGLRSA-N 1 0 241.291 -1.159 20 0 BAADRO [NH3+]CC(=O)NCC(=O)N1CCO[C@H]2CCC[C@@H]21 ZINC000043427495 181350695 /nfs/dbraw/zinc/35/06/95/181350695.db2.gz KSJSDFFBGSXEFP-IUCAKERBSA-N 1 0 241.291 -1.159 20 0 BAADRO CN(CCN1CC[NH2+]CC1)CC(N)=O ZINC000043499849 411119471 /nfs/dbraw/zinc/11/94/71/411119471.db2.gz YSQKJDBXEUTNTL-UHFFFAOYSA-N 1 0 200.286 -1.691 20 0 BAADRO CNC(=O)CN(C)CCN1CC[NH2+]CC1 ZINC000043499852 411119273 /nfs/dbraw/zinc/11/92/73/411119273.db2.gz LJBGQRJVSQMOME-UHFFFAOYSA-N 1 0 214.313 -1.431 20 0 BAADRO CN(CCN1CC[NH2+]CC1)CC(=O)N(C)C ZINC000043499855 358376654 /nfs/dbraw/zinc/37/66/54/358376654.db2.gz ZHCIXDFMEUEMDM-UHFFFAOYSA-N 1 0 228.340 -1.088 20 0 BAADRO CCN(CCN1CC[NH2+]CC1)CC(=O)NC ZINC000043499864 641566353 /nfs/dbraw/zinc/56/63/53/641566353.db2.gz AJJRZGYVXSHSFH-UHFFFAOYSA-N 1 0 228.340 -1.041 20 0 BAADRO CCNC(=O)CN(C)CCN1CC[NH2+]CC1 ZINC000043499875 411119650 /nfs/dbraw/zinc/11/96/50/411119650.db2.gz VWXVYPDTLWWLNI-UHFFFAOYSA-N 1 0 228.340 -1.041 20 0 BAADRO C[NH2+]CCC(=O)N1CCN(CCO)CC1 ZINC000043601865 173339268 /nfs/dbraw/zinc/33/92/68/173339268.db2.gz GKYFNLORYOTXLH-UHFFFAOYSA-N 1 0 215.297 -1.268 20 0 BAADRO C[NH2+]CCC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000043604899 173339279 /nfs/dbraw/zinc/33/92/79/173339279.db2.gz RKJLSCXSBPDEKK-UHFFFAOYSA-N 1 0 249.336 -1.300 20 0 BAADRO C[NH2+]CCC(=O)N1CCN(C(=O)COC)CC1 ZINC000043605170 173339168 /nfs/dbraw/zinc/33/91/68/173339168.db2.gz WCGBDSHLGDGBLL-UHFFFAOYSA-N 1 0 243.307 -1.087 20 0 BAADRO COC(=O)[C@H](C)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000043630601 342797685 /nfs/dbraw/zinc/79/76/85/342797685.db2.gz IHBKQMZDXIRGDR-VIFPVBQESA-N 1 0 243.307 -1.089 20 0 BAADRO COC(=O)[C@@H](C)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000043630603 342797621 /nfs/dbraw/zinc/79/76/21/342797621.db2.gz IHBKQMZDXIRGDR-SECBINFHSA-N 1 0 243.307 -1.089 20 0 BAADRO NC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000043707362 411125397 /nfs/dbraw/zinc/12/53/97/411125397.db2.gz RCHRDLHBDAJDGU-IUCAKERBSA-N 1 0 241.291 -1.301 20 0 BAADRO NC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000043707363 411125320 /nfs/dbraw/zinc/12/53/20/411125320.db2.gz RCHRDLHBDAJDGU-BDAKNGLRSA-N 1 0 241.291 -1.301 20 0 BAADRO O=C([C@@H]1C[NH2+]CCO1)N1CCOCC1 ZINC000043707370 343709356 /nfs/dbraw/zinc/70/93/56/343709356.db2.gz WMPYVCQAQPMBTP-QMMMGPOBSA-N 1 0 200.238 -1.166 20 0 BAADRO O=C([C@H]1C[NH2+]CCO1)N1CCOCC1 ZINC000043707371 343709392 /nfs/dbraw/zinc/70/93/92/343709392.db2.gz WMPYVCQAQPMBTP-MRVPVSSYSA-N 1 0 200.238 -1.166 20 0 BAADRO CN1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000043707384 173069835 /nfs/dbraw/zinc/06/98/35/173069835.db2.gz JCPRLPHZPJCEMN-VIFPVBQESA-N 1 0 213.281 -1.251 20 0 BAADRO CN1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000043707385 173071454 /nfs/dbraw/zinc/07/14/54/173071454.db2.gz JCPRLPHZPJCEMN-SECBINFHSA-N 1 0 213.281 -1.251 20 0 BAADRO O=C(NCCN1CCOCC1)[C@@H]1C[NH2+]CCO1 ZINC000043707707 182186362 /nfs/dbraw/zinc/18/63/62/182186362.db2.gz HHXXLFBETOGEIH-JTQLQIEISA-N 1 0 243.307 -1.577 20 0 BAADRO O=C(NCCN1CCOCC1)[C@H]1C[NH2+]CCO1 ZINC000043707708 182186530 /nfs/dbraw/zinc/18/65/30/182186530.db2.gz HHXXLFBETOGEIH-SNVBAGLBSA-N 1 0 243.307 -1.577 20 0 BAADRO O=C([C@@H]1C[NH2+]CCO1)N1CCNC(=O)C1 ZINC000043707744 639062194 /nfs/dbraw/zinc/06/21/94/639062194.db2.gz AVPFNHSEVHVIBV-ZETCQYMHSA-N 1 0 213.237 -2.067 20 0 BAADRO O=C([C@H]1C[NH2+]CCO1)N1CCNC(=O)C1 ZINC000043707745 639061330 /nfs/dbraw/zinc/06/13/30/639061330.db2.gz AVPFNHSEVHVIBV-SSDOTTSWSA-N 1 0 213.237 -2.067 20 0 BAADRO NC(=O)[C@H]1CCCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000043707851 181280485 /nfs/dbraw/zinc/28/04/85/181280485.db2.gz VYHGLZZNQNUDPY-SFYZADRCSA-N 1 0 227.264 -1.549 20 0 BAADRO NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000043707852 181269098 /nfs/dbraw/zinc/26/90/98/181269098.db2.gz VYHGLZZNQNUDPY-YUMQZZPRSA-N 1 0 227.264 -1.549 20 0 BAADRO NC(=O)[C@H]1CCCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000043707853 181282695 /nfs/dbraw/zinc/28/26/95/181282695.db2.gz VYHGLZZNQNUDPY-HTQZYQBOSA-N 1 0 227.264 -1.549 20 0 BAADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000043707854 181268955 /nfs/dbraw/zinc/26/89/55/181268955.db2.gz VYHGLZZNQNUDPY-JGVFFNPUSA-N 1 0 227.264 -1.549 20 0 BAADRO CNC(=O)CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043707981 173276171 /nfs/dbraw/zinc/27/61/71/173276171.db2.gz ZSUQMZUSVCAPDW-LURJTMIESA-N 1 0 201.226 -2.163 20 0 BAADRO CNC(=O)CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000043707982 173276538 /nfs/dbraw/zinc/27/65/38/173276538.db2.gz ZSUQMZUSVCAPDW-ZCFIWIBFSA-N 1 0 201.226 -2.163 20 0 BAADRO CN(C)C(=O)CN(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000043708001 172362941 /nfs/dbraw/zinc/36/29/41/172362941.db2.gz ASKXWFIFYCBMJY-QMMMGPOBSA-N 1 0 229.280 -1.479 20 0 BAADRO CN(C)C(=O)CN(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000043708002 172363254 /nfs/dbraw/zinc/36/32/54/172363254.db2.gz ASKXWFIFYCBMJY-MRVPVSSYSA-N 1 0 229.280 -1.479 20 0 BAADRO CC(C)NC(=O)CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043708033 167056518 /nfs/dbraw/zinc/05/65/18/167056518.db2.gz CZEQVDMHQQWTDQ-QMMMGPOBSA-N 1 0 229.280 -1.384 20 0 BAADRO CC(C)NC(=O)CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000043708034 167056802 /nfs/dbraw/zinc/05/68/02/167056802.db2.gz CZEQVDMHQQWTDQ-MRVPVSSYSA-N 1 0 229.280 -1.384 20 0 BAADRO CCCNC(=O)CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043708049 169225079 /nfs/dbraw/zinc/22/50/79/169225079.db2.gz VXQFEDBGCDDOAN-QMMMGPOBSA-N 1 0 229.280 -1.383 20 0 BAADRO CCCNC(=O)CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000043708050 169224871 /nfs/dbraw/zinc/22/48/71/169224871.db2.gz VXQFEDBGCDDOAN-MRVPVSSYSA-N 1 0 229.280 -1.383 20 0 BAADRO CCNC(=O)[C@@H](C)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043708133 170086912 /nfs/dbraw/zinc/08/69/12/170086912.db2.gz KTBXMCKPHNVILS-SFYZADRCSA-N 1 0 229.280 -1.384 20 0 BAADRO CCNC(=O)[C@H](C)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043708134 170094498 /nfs/dbraw/zinc/09/44/98/170094498.db2.gz KTBXMCKPHNVILS-YUMQZZPRSA-N 1 0 229.280 -1.384 20 0 BAADRO CCNC(=O)[C@@H](C)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000043708135 170086778 /nfs/dbraw/zinc/08/67/78/170086778.db2.gz KTBXMCKPHNVILS-HTQZYQBOSA-N 1 0 229.280 -1.384 20 0 BAADRO CCNC(=O)[C@H](C)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000043708136 170094069 /nfs/dbraw/zinc/09/40/69/170094069.db2.gz KTBXMCKPHNVILS-JGVFFNPUSA-N 1 0 229.280 -1.384 20 0 BAADRO C[C@H](NC(=O)[C@@H]1C[NH2+]CCO1)C(=O)N(C)C ZINC000043708153 411125616 /nfs/dbraw/zinc/12/56/16/411125616.db2.gz PCMLHJUOHHCAPD-YUMQZZPRSA-N 1 0 229.280 -1.432 20 0 BAADRO C[C@@H](NC(=O)[C@@H]1C[NH2+]CCO1)C(=O)N(C)C ZINC000043708154 411125281 /nfs/dbraw/zinc/12/52/81/411125281.db2.gz PCMLHJUOHHCAPD-SFYZADRCSA-N 1 0 229.280 -1.432 20 0 BAADRO C[C@H](NC(=O)[C@H]1C[NH2+]CCO1)C(=O)N(C)C ZINC000043708155 384648025 /nfs/dbraw/zinc/64/80/25/384648025.db2.gz PCMLHJUOHHCAPD-JGVFFNPUSA-N 1 0 229.280 -1.432 20 0 BAADRO C[C@@H](NC(=O)[C@H]1C[NH2+]CCO1)C(=O)N(C)C ZINC000043708156 411125489 /nfs/dbraw/zinc/12/54/89/411125489.db2.gz PCMLHJUOHHCAPD-HTQZYQBOSA-N 1 0 229.280 -1.432 20 0 BAADRO CCN(CC(=O)N(C)C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000043708203 411125472 /nfs/dbraw/zinc/12/54/72/411125472.db2.gz PSSHEJZAFMLRPD-VIFPVBQESA-N 1 0 243.307 -1.089 20 0 BAADRO CCN(CC(=O)N(C)C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000043708204 411125642 /nfs/dbraw/zinc/12/56/42/411125642.db2.gz PSSHEJZAFMLRPD-SECBINFHSA-N 1 0 243.307 -1.089 20 0 BAADRO O=C(N[C@@H]1CCCCNC1=O)[C@@H]1C[NH2+]CCO1 ZINC000043708631 182292496 /nfs/dbraw/zinc/29/24/96/182292496.db2.gz MYHSGKJURFHTMC-BDAKNGLRSA-N 1 0 241.291 -1.240 20 0 BAADRO COC(=O)[C@H](C)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043708945 173782545 /nfs/dbraw/zinc/78/25/45/173782545.db2.gz JGPIOHZUVULKBE-BQBZGAKWSA-N 1 0 216.237 -1.348 20 0 BAADRO COC(=O)[C@H](C)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000043708946 344532876 /nfs/dbraw/zinc/53/28/76/344532876.db2.gz JGPIOHZUVULKBE-NKWVEPMBSA-N 1 0 216.237 -1.348 20 0 BAADRO CCOC(=O)CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043709245 170223945 /nfs/dbraw/zinc/22/39/45/170223945.db2.gz PPFIXHLYRUMVKU-ZETCQYMHSA-N 1 0 216.237 -1.346 20 0 BAADRO CCOC(=O)CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000043709246 170224155 /nfs/dbraw/zinc/22/41/55/170224155.db2.gz PPFIXHLYRUMVKU-SSDOTTSWSA-N 1 0 216.237 -1.346 20 0 BAADRO CC(=O)N1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000043709247 188042587 /nfs/dbraw/zinc/04/25/87/188042587.db2.gz ZRHGUXKTVSWGSX-JTQLQIEISA-N 1 0 241.291 -1.335 20 0 BAADRO CC(=O)N1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000043709248 191686607 /nfs/dbraw/zinc/68/66/07/191686607.db2.gz ZRHGUXKTVSWGSX-SNVBAGLBSA-N 1 0 241.291 -1.335 20 0 BAADRO COC(=O)CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043709257 631812884 /nfs/dbraw/zinc/81/28/84/631812884.db2.gz YZQOJWVTEFDNRB-LURJTMIESA-N 1 0 202.210 -1.736 20 0 BAADRO COC(=O)CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000043709258 639061266 /nfs/dbraw/zinc/06/12/66/639061266.db2.gz YZQOJWVTEFDNRB-ZCFIWIBFSA-N 1 0 202.210 -1.736 20 0 BAADRO NC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000043709722 181267586 /nfs/dbraw/zinc/26/75/86/181267586.db2.gz STJXHDSPYKBHEU-IUCAKERBSA-N 1 0 241.291 -1.159 20 0 BAADRO NC(=O)[C@H]1CCCCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000043709724 181278985 /nfs/dbraw/zinc/27/89/85/181278985.db2.gz STJXHDSPYKBHEU-BDAKNGLRSA-N 1 0 241.291 -1.159 20 0 BAADRO NC(=O)[C@H]1CCCCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000043709728 181279675 /nfs/dbraw/zinc/27/96/75/181279675.db2.gz STJXHDSPYKBHEU-RKDXNWHRSA-N 1 0 241.291 -1.159 20 0 BAADRO CCNC(=O)CN(CC)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000043709790 170056679 /nfs/dbraw/zinc/05/66/79/170056679.db2.gz WFCCZKXRPFGSOP-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO CCNC(=O)CN(CC)C(=O)[C@H]1C[NH2+]CCO1 ZINC000043709792 170056728 /nfs/dbraw/zinc/05/67/28/170056728.db2.gz WFCCZKXRPFGSOP-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO CC(C)NC(=O)CN(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000043709857 167046356 /nfs/dbraw/zinc/04/63/56/167046356.db2.gz YHOLEPZHLORGBC-VIFPVBQESA-N 1 0 243.307 -1.042 20 0 BAADRO CC(C)NC(=O)CN(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000043709858 167046886 /nfs/dbraw/zinc/04/68/86/167046886.db2.gz YHOLEPZHLORGBC-SECBINFHSA-N 1 0 243.307 -1.042 20 0 BAADRO NC(=O)[C@H]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000043711990 384648203 /nfs/dbraw/zinc/64/82/03/384648203.db2.gz RCHRDLHBDAJDGU-DTWKUNHWSA-N 1 0 241.291 -1.301 20 0 BAADRO NC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000043711992 384649256 /nfs/dbraw/zinc/64/92/56/384649256.db2.gz RCHRDLHBDAJDGU-RKDXNWHRSA-N 1 0 241.291 -1.301 20 0 BAADRO C[C@H](NC(=O)[C@@H]1C[NH2+]CCO1)C(N)=O ZINC000043713374 384297249 /nfs/dbraw/zinc/29/72/49/384297249.db2.gz QXQSULBRDYZSCQ-WDSKDSINSA-N 1 0 201.226 -2.035 20 0 BAADRO C[C@H](NC(=O)[C@H]1C[NH2+]CCO1)C(N)=O ZINC000043713380 385199352 /nfs/dbraw/zinc/19/93/52/385199352.db2.gz QXQSULBRDYZSCQ-NTSWFWBYSA-N 1 0 201.226 -2.035 20 0 BAADRO CN(CC(=O)NC1CC1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000043713437 352642385 /nfs/dbraw/zinc/64/23/85/352642385.db2.gz AZOPQFDKDHYNIR-VIFPVBQESA-N 1 0 241.291 -1.288 20 0 BAADRO CN(CC(=O)NC1CC1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000043713439 352642721 /nfs/dbraw/zinc/64/27/21/352642721.db2.gz AZOPQFDKDHYNIR-SECBINFHSA-N 1 0 241.291 -1.288 20 0 BAADRO CCN(CC(=O)NC)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000043713442 641573935 /nfs/dbraw/zinc/57/39/35/641573935.db2.gz MHKAKSGNYDPANX-QMMMGPOBSA-N 1 0 229.280 -1.431 20 0 BAADRO CCN(CC(=O)NC)C(=O)[C@H]1C[NH2+]CCO1 ZINC000043713445 641573806 /nfs/dbraw/zinc/57/38/06/641573806.db2.gz MHKAKSGNYDPANX-MRVPVSSYSA-N 1 0 229.280 -1.431 20 0 BAADRO CC(C)N(CC(N)=O)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000043713447 188043328 /nfs/dbraw/zinc/04/33/28/188043328.db2.gz SPHNYDZYDJXNDC-QMMMGPOBSA-N 1 0 229.280 -1.303 20 0 BAADRO CC(C)N(CC(N)=O)C(=O)[C@H]1C[NH2+]CCO1 ZINC000043713450 188042965 /nfs/dbraw/zinc/04/29/65/188042965.db2.gz SPHNYDZYDJXNDC-MRVPVSSYSA-N 1 0 229.280 -1.303 20 0 BAADRO O=C(N[C@H]1CCCCNC1=O)[C@H]1C[NH2+]CCO1 ZINC000043714548 352642728 /nfs/dbraw/zinc/64/27/28/352642728.db2.gz MYHSGKJURFHTMC-DTWKUNHWSA-N 1 0 241.291 -1.240 20 0 BAADRO CC(C)CN(CC(N)=O)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000043798947 352639329 /nfs/dbraw/zinc/63/93/29/352639329.db2.gz IZLYODVFXDWOAK-VIFPVBQESA-N 1 0 243.307 -1.055 20 0 BAADRO CC(C)CN(CC(N)=O)C(=O)[C@H]1C[NH2+]CCO1 ZINC000043798950 352639152 /nfs/dbraw/zinc/63/91/52/352639152.db2.gz IZLYODVFXDWOAK-SECBINFHSA-N 1 0 243.307 -1.055 20 0 BAADRO CCCN(CC(=O)NC)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000043799758 169094781 /nfs/dbraw/zinc/09/47/81/169094781.db2.gz XZAVPZIEICQFMT-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO CCCN(CC(=O)NC)C(=O)[C@H]1C[NH2+]CCO1 ZINC000043799760 169094865 /nfs/dbraw/zinc/09/48/65/169094865.db2.gz XZAVPZIEICQFMT-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO CC(C)C(=O)NCCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043800617 352639224 /nfs/dbraw/zinc/63/92/24/352639224.db2.gz FYZQPTQHLJCAFS-VIFPVBQESA-N 1 0 243.307 -1.137 20 0 BAADRO CC(C)C(=O)NCCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000043800619 352639299 /nfs/dbraw/zinc/63/92/99/352639299.db2.gz FYZQPTQHLJCAFS-SECBINFHSA-N 1 0 243.307 -1.137 20 0 BAADRO COC(=O)CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043801141 641575625 /nfs/dbraw/zinc/57/56/25/641575625.db2.gz RHNWJKZUVFZUDG-ZETCQYMHSA-N 1 0 216.237 -1.346 20 0 BAADRO COC(=O)CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000043801143 641577272 /nfs/dbraw/zinc/57/72/72/641577272.db2.gz RHNWJKZUVFZUDG-SSDOTTSWSA-N 1 0 216.237 -1.346 20 0 BAADRO O=C(NCCn1ccnc1)[C@@H]1C[NH2+]CCO1 ZINC000043801203 182215746 /nfs/dbraw/zinc/21/57/46/182215746.db2.gz VCWPCAXIQKCZKA-VIFPVBQESA-N 1 0 224.264 -1.012 20 0 BAADRO O=C(NCCn1ccnc1)[C@H]1C[NH2+]CCO1 ZINC000043801206 182216898 /nfs/dbraw/zinc/21/68/98/182216898.db2.gz VCWPCAXIQKCZKA-SECBINFHSA-N 1 0 224.264 -1.012 20 0 BAADRO O=C(NCCn1cccn1)[C@@H]1C[NH2+]CCO1 ZINC000043801363 487797149 /nfs/dbraw/zinc/79/71/49/487797149.db2.gz WFXMKMQWEKPNJU-VIFPVBQESA-N 1 0 224.264 -1.012 20 0 BAADRO O=C(NCCn1cccn1)[C@H]1C[NH2+]CCO1 ZINC000043801366 322839808 /nfs/dbraw/zinc/83/98/08/322839808.db2.gz WFXMKMQWEKPNJU-SECBINFHSA-N 1 0 224.264 -1.012 20 0 BAADRO CNC(=O)[C@@H](C)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043801389 173294800 /nfs/dbraw/zinc/29/48/00/173294800.db2.gz KRMICXBKPQVENQ-RQJHMYQMSA-N 1 0 215.253 -1.775 20 0 BAADRO CNC(=O)[C@@H](C)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000043801394 173294672 /nfs/dbraw/zinc/29/46/72/173294672.db2.gz KRMICXBKPQVENQ-RNFRBKRXSA-N 1 0 215.253 -1.775 20 0 BAADRO COC(=O)[C@@H](C)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043801483 344532837 /nfs/dbraw/zinc/53/28/37/344532837.db2.gz JGPIOHZUVULKBE-RQJHMYQMSA-N 1 0 216.237 -1.348 20 0 BAADRO COC(=O)[C@@H](C)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000043801486 344532815 /nfs/dbraw/zinc/53/28/15/344532815.db2.gz JGPIOHZUVULKBE-RNFRBKRXSA-N 1 0 216.237 -1.348 20 0 BAADRO CC[NH2+]CC(=O)N1CCN(CC(=O)NC)CC1 ZINC000044290851 640174476 /nfs/dbraw/zinc/17/44/76/640174476.db2.gz NRUCXCYXYAMLTD-UHFFFAOYSA-N 1 0 242.323 -1.514 20 0 BAADRO CC[NH2+]CC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000044297165 170109665 /nfs/dbraw/zinc/10/96/65/170109665.db2.gz CHBJUBSCGCXATD-UHFFFAOYSA-N 1 0 249.336 -1.300 20 0 BAADRO Cn1cc(CNC(=O)CN2CC[NH2+]CC2)cn1 ZINC000044376563 411135466 /nfs/dbraw/zinc/13/54/66/411135466.db2.gz DAIIBQCJJOCOIZ-UHFFFAOYSA-N 1 0 237.307 -1.059 20 0 BAADRO CNC(=O)CN1CCN(C(=O)CC[NH2+]C)CC1 ZINC000044467158 358388221 /nfs/dbraw/zinc/38/82/21/358388221.db2.gz YXFINUQJIZHQMD-UHFFFAOYSA-N 1 0 242.323 -1.514 20 0 BAADRO CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000044471542 173298069 /nfs/dbraw/zinc/29/80/69/173298069.db2.gz DCCJEGQWQLCMGO-IUCAKERBSA-N 1 0 241.291 -1.288 20 0 BAADRO CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000044471545 173306401 /nfs/dbraw/zinc/30/64/01/173306401.db2.gz DCCJEGQWQLCMGO-BDAKNGLRSA-N 1 0 241.291 -1.288 20 0 BAADRO CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000044471548 173298092 /nfs/dbraw/zinc/29/80/92/173298092.db2.gz DCCJEGQWQLCMGO-DTWKUNHWSA-N 1 0 241.291 -1.288 20 0 BAADRO CNC(=O)[C@H]1CCCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000044471551 173306917 /nfs/dbraw/zinc/30/69/17/173306917.db2.gz DCCJEGQWQLCMGO-RKDXNWHRSA-N 1 0 241.291 -1.288 20 0 BAADRO O=C(Cn1cnnn1)NC[C@@H]1CCCC[NH2+]1 ZINC000044492039 487819982 /nfs/dbraw/zinc/81/99/82/487819982.db2.gz BQXBZZLAZLLJOP-QMMMGPOBSA-N 1 0 224.268 -1.069 20 0 BAADRO O=C(Cn1cnnn1)NC[C@H]1CCCC[NH2+]1 ZINC000044492041 487819859 /nfs/dbraw/zinc/81/98/59/487819859.db2.gz BQXBZZLAZLLJOP-MRVPVSSYSA-N 1 0 224.268 -1.069 20 0 BAADRO O=C(Cn1cnnn1)NC[C@@H]1CCC[NH2+]C1 ZINC000044501780 182073967 /nfs/dbraw/zinc/07/39/67/182073967.db2.gz OSUBNOCFHWLYIO-MRVPVSSYSA-N 1 0 224.268 -1.211 20 0 BAADRO O=C(Cn1cnnn1)NC[C@H]1CCC[NH2+]C1 ZINC000044501782 182073706 /nfs/dbraw/zinc/07/37/06/182073706.db2.gz OSUBNOCFHWLYIO-QMMMGPOBSA-N 1 0 224.268 -1.211 20 0 BAADRO O=C(Cn1cnnn1)NCC1CC[NH2+]CC1 ZINC000044503693 358388826 /nfs/dbraw/zinc/38/88/26/358388826.db2.gz QOOVXIXREOMNCX-UHFFFAOYSA-N 1 0 224.268 -1.211 20 0 BAADRO O=C(CNC(=O)c1ccon1)N1CC[NH2+]CC1 ZINC000044587212 358391533 /nfs/dbraw/zinc/39/15/33/358391533.db2.gz QVIRMANBQGVGRK-UHFFFAOYSA-N 1 0 238.247 -1.164 20 0 BAADRO CC[NH2+]CC(=O)N1CCN(CCO)CC1 ZINC000044647123 631819421 /nfs/dbraw/zinc/81/94/21/631819421.db2.gz ZMZXQRGECXSYAR-UHFFFAOYSA-N 1 0 215.297 -1.268 20 0 BAADRO CC[NH2+]CC(=O)NCCNS(C)(=O)=O ZINC000044647263 631818433 /nfs/dbraw/zinc/81/84/33/631818433.db2.gz QUSCHOCTQFPIJD-UHFFFAOYSA-N 1 0 223.298 -1.739 20 0 BAADRO CC[NH2+]CC(=O)N1CCN(C(=O)COC)CC1 ZINC000044650330 643546782 /nfs/dbraw/zinc/54/67/82/643546782.db2.gz WUOHUIUQODUEDY-UHFFFAOYSA-N 1 0 243.307 -1.087 20 0 BAADRO CCOC[C@H](C)NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000044682053 384659329 /nfs/dbraw/zinc/65/93/29/384659329.db2.gz HEMVOUKADIGWBZ-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO COCCOCCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000044727208 174356212 /nfs/dbraw/zinc/35/62/12/174356212.db2.gz KSPIGWQGOJSUKU-VIFPVBQESA-N 1 0 232.280 -1.246 20 0 BAADRO COCCOCCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000044727209 174357092 /nfs/dbraw/zinc/35/70/92/174357092.db2.gz KSPIGWQGOJSUKU-SECBINFHSA-N 1 0 232.280 -1.246 20 0 BAADRO COCCOCCNC(=O)CN1CC[NH2+]CC1 ZINC000044727249 411140188 /nfs/dbraw/zinc/14/01/88/411140188.db2.gz POMRTINKOPVUCP-UHFFFAOYSA-N 1 0 245.323 -1.329 20 0 BAADRO CC(C)(C[NH3+])C(=O)NCCNS(C)(=O)=O ZINC000044751706 187292942 /nfs/dbraw/zinc/29/29/42/187292942.db2.gz VVNJCMISUZQUIQ-UHFFFAOYSA-N 1 0 237.325 -1.363 20 0 BAADRO NS(=O)(=O)CCNC(=O)C1(C[NH3+])CCCC1 ZINC000044762772 411139931 /nfs/dbraw/zinc/13/99/31/411139931.db2.gz LPOOTELTMJYZOF-UHFFFAOYSA-N 1 0 249.336 -1.090 20 0 BAADRO C[C@@H](C[NH3+])C(=O)N1CCN(CCO)CC1 ZINC000044802271 640464536 /nfs/dbraw/zinc/46/45/36/640464536.db2.gz QSQAKRBPXODTMC-VIFPVBQESA-N 1 0 215.297 -1.282 20 0 BAADRO C[C@H](C[NH3+])C(=O)N1CCN(CCO)CC1 ZINC000044802273 640465049 /nfs/dbraw/zinc/46/50/49/640465049.db2.gz QSQAKRBPXODTMC-SECBINFHSA-N 1 0 215.297 -1.282 20 0 BAADRO NS(=O)(=O)CCCNC(=O)C[NH2+]CC1CC1 ZINC000045088055 358400079 /nfs/dbraw/zinc/40/00/79/358400079.db2.gz GAQXYZGHFNCAEG-UHFFFAOYSA-N 1 0 249.336 -1.219 20 0 BAADRO CN(CC(=O)NCC[NH+](C)C)S(C)(=O)=O ZINC000046041333 386510411 /nfs/dbraw/zinc/51/04/11/386510411.db2.gz LWERRQVJBGYJJQ-UHFFFAOYSA-N 1 0 237.325 -1.444 20 0 BAADRO C[C@@H](CNC(=O)Cn1cnnn1)[NH+](C)C ZINC000046274608 343543807 /nfs/dbraw/zinc/54/38/07/343543807.db2.gz HKAUDICFUZZYJK-ZETCQYMHSA-N 1 0 212.257 -1.261 20 0 BAADRO C[C@H](CNC(=O)Cn1cnnn1)[NH+](C)C ZINC000046274609 343106640 /nfs/dbraw/zinc/10/66/40/343106640.db2.gz HKAUDICFUZZYJK-SSDOTTSWSA-N 1 0 212.257 -1.261 20 0 BAADRO C[N@H+](CCC(=O)N1CCOCC1)CC(N)=O ZINC000047496085 343408457 /nfs/dbraw/zinc/40/84/57/343408457.db2.gz ZYXHPCKHMKMAGB-UHFFFAOYSA-N 1 0 229.280 -1.348 20 0 BAADRO C[C@@H](C(=O)NC(=O)NC1CC1)N(C)CC(N)=O ZINC000047628481 343563967 /nfs/dbraw/zinc/56/39/67/343563967.db2.gz OXKNQEOTFMPUAP-LURJTMIESA-N 1 0 242.279 -1.220 20 0 BAADRO C[C@H](C(=O)NC(=O)NC1CC1)N(C)CC(N)=O ZINC000047628482 343564206 /nfs/dbraw/zinc/56/42/06/343564206.db2.gz OXKNQEOTFMPUAP-ZCFIWIBFSA-N 1 0 242.279 -1.220 20 0 BAADRO O=C(C[N@H+]1CCC[C@H](O)C1)N1CCNC1=O ZINC000047864849 358604894 /nfs/dbraw/zinc/60/48/94/358604894.db2.gz TYUOSONOQAFZJP-QMMMGPOBSA-N 1 0 227.264 -1.005 20 0 BAADRO O=C(C[N@H+]1CCC[C@@H](O)C1)N1CCNC1=O ZINC000047864851 358604930 /nfs/dbraw/zinc/60/49/30/358604930.db2.gz TYUOSONOQAFZJP-MRVPVSSYSA-N 1 0 227.264 -1.005 20 0 BAADRO CC[N@H+](CCO)Cc1cc(=O)n(C)c(=O)n1C ZINC000047878733 386567715 /nfs/dbraw/zinc/56/77/15/386567715.db2.gz FPJAABCPAVWSSS-UHFFFAOYSA-N 1 0 241.291 -1.102 20 0 BAADRO CC[N@H+](CCO)CCN1C(=O)CNC1=O ZINC000047878781 383835668 /nfs/dbraw/zinc/83/56/68/383835668.db2.gz JZIAAELUKDGCGZ-UHFFFAOYSA-N 1 0 215.253 -1.148 20 0 BAADRO COC(=O)[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC000048335744 344585901 /nfs/dbraw/zinc/58/59/01/344585901.db2.gz UAFOIAPIWDYUGK-LURJTMIESA-N 1 0 231.252 -1.078 20 0 BAADRO COC(=O)[C@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC000048335746 344585666 /nfs/dbraw/zinc/58/56/66/344585666.db2.gz UAFOIAPIWDYUGK-ZCFIWIBFSA-N 1 0 231.252 -1.078 20 0 BAADRO CNC(=O)NC(=O)CN1CC[C@H](C(=O)OC)C1 ZINC000048580715 173286994 /nfs/dbraw/zinc/28/69/94/173286994.db2.gz VKKPPGKBDPHLEZ-ZETCQYMHSA-N 1 0 243.263 -1.063 20 0 BAADRO CNC(=O)NC(=O)CN1CC[C@@H](C(=O)OC)C1 ZINC000048580718 173287443 /nfs/dbraw/zinc/28/74/43/173287443.db2.gz VKKPPGKBDPHLEZ-SSDOTTSWSA-N 1 0 243.263 -1.063 20 0 BAADRO COCC(=O)N1CCN(CC[NH3+])CC1 ZINC000048631422 174042879 /nfs/dbraw/zinc/04/28/79/174042879.db2.gz OEWUXWQNCIKVNO-UHFFFAOYSA-N 1 0 201.270 -1.264 20 0 BAADRO COCC(=O)NCCN1CC[NH2+]CC1 ZINC000048631599 174048428 /nfs/dbraw/zinc/04/84/28/174048428.db2.gz FSTVNCXDQZSJOI-UHFFFAOYSA-N 1 0 201.270 -1.346 20 0 BAADRO COCC(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000048631600 174037103 /nfs/dbraw/zinc/03/71/03/174037103.db2.gz DDASGSIJJJOHRK-UHFFFAOYSA-N 1 0 229.280 -1.477 20 0 BAADRO COCC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000048631752 174046981 /nfs/dbraw/zinc/04/69/81/174046981.db2.gz QNAQSPKMVSAILB-UHFFFAOYSA-N 1 0 215.253 -1.819 20 0 BAADRO COCCCNC(=O)CN1CCO[C@H](C[NH3+])C1 ZINC000049282749 174239053 /nfs/dbraw/zinc/23/90/53/174239053.db2.gz JYGYTSBRJPEJMM-SNVBAGLBSA-N 1 0 245.323 -1.201 20 0 BAADRO COCCCNC(=O)CN1CCO[C@@H](C[NH3+])C1 ZINC000049282751 174239058 /nfs/dbraw/zinc/23/90/58/174239058.db2.gz JYGYTSBRJPEJMM-JTQLQIEISA-N 1 0 245.323 -1.201 20 0 BAADRO CCOC(=O)[C@@H](C)NC(=O)CN1CC[NH2+]CC1 ZINC000049375319 643617473 /nfs/dbraw/zinc/61/74/73/643617473.db2.gz VDCXERPWZWIBLY-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO CCOC(=O)[C@H](C)NC(=O)CN1CC[NH2+]CC1 ZINC000049375320 170267630 /nfs/dbraw/zinc/26/76/30/170267630.db2.gz VDCXERPWZWIBLY-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO CN(C)S(=O)(=O)CCN1CC[NH2+]CC1 ZINC000049642302 411242257 /nfs/dbraw/zinc/24/22/57/411242257.db2.gz QSPOISQEQOAKPB-UHFFFAOYSA-N 1 0 221.326 -1.217 20 0 BAADRO CCNC(=O)NC(=O)CN(CCO)CCO ZINC000049753432 358699298 /nfs/dbraw/zinc/69/92/98/358699298.db2.gz NLBCVPXDJLUWMZ-UHFFFAOYSA-N 1 0 233.268 -1.881 20 0 BAADRO CCNC(=O)NC(=O)[C@@H](C)N(CCO)CCO ZINC000049753486 358699285 /nfs/dbraw/zinc/69/92/85/358699285.db2.gz GIUQKCHXUNAKNP-MRVPVSSYSA-N 1 0 247.295 -1.493 20 0 BAADRO CCNC(=O)NC(=O)[C@H](C)N(CCO)CCO ZINC000049753488 358699334 /nfs/dbraw/zinc/69/93/34/358699334.db2.gz GIUQKCHXUNAKNP-QMMMGPOBSA-N 1 0 247.295 -1.493 20 0 BAADRO CCCNC(=O)NC(=O)CN(CCO)CCO ZINC000049753555 358699453 /nfs/dbraw/zinc/69/94/53/358699453.db2.gz CIDHXIACXHVTRS-UHFFFAOYSA-N 1 0 247.295 -1.491 20 0 BAADRO OCC[NH+](CCO)CCN1CCOCC1 ZINC000049753607 344687580 /nfs/dbraw/zinc/68/75/80/344687580.db2.gz BHGQSWHSWWHCRC-UHFFFAOYSA-N 1 0 218.297 -1.395 20 0 BAADRO O=C(CN(CCO)CCO)NC[C@H]1CCCO1 ZINC000049754076 358699371 /nfs/dbraw/zinc/69/93/71/358699371.db2.gz OCZKTXADZAJZIV-SNVBAGLBSA-N 1 0 246.307 -1.432 20 0 BAADRO O=C(CN(CCO)CCO)NC[C@@H]1CCCO1 ZINC000049754078 358699512 /nfs/dbraw/zinc/69/95/12/358699512.db2.gz OCZKTXADZAJZIV-JTQLQIEISA-N 1 0 246.307 -1.432 20 0 BAADRO CC[N@H+](CCO)CC(=O)NC(=O)NC ZINC000049754437 384039120 /nfs/dbraw/zinc/03/91/20/384039120.db2.gz MWULGYPPQRSKHO-UHFFFAOYSA-N 1 0 203.242 -1.244 20 0 BAADRO CC[N@H+](CCO)[C@@H](C)C(=O)NC(N)=O ZINC000049754557 384039203 /nfs/dbraw/zinc/03/92/03/384039203.db2.gz HSRWZFSETXHRBR-LURJTMIESA-N 1 0 203.242 -1.116 20 0 BAADRO CC[N@H+](CCO)[C@H](C)C(=O)NC(N)=O ZINC000049754559 169859152 /nfs/dbraw/zinc/85/91/52/169859152.db2.gz HSRWZFSETXHRBR-ZCFIWIBFSA-N 1 0 203.242 -1.116 20 0 BAADRO CC[N@H+](CCO)CC(=O)N1CCNC1=O ZINC000049754608 344687459 /nfs/dbraw/zinc/68/74/59/344687459.db2.gz WZAZWZNWADOQKA-UHFFFAOYSA-N 1 0 215.253 -1.148 20 0 BAADRO CCC[N@H+](CCO)CC(=O)NC(N)=O ZINC000049825137 169164952 /nfs/dbraw/zinc/16/49/52/169164952.db2.gz NDJBZESQKMEREH-UHFFFAOYSA-N 1 0 203.242 -1.114 20 0 BAADRO CC(C)[N@H+](CCO)CC(=O)NC(N)=O ZINC000049825138 384050207 /nfs/dbraw/zinc/05/02/07/384050207.db2.gz AGKGYCGSRJLJJT-UHFFFAOYSA-N 1 0 203.242 -1.116 20 0 BAADRO CC[N@H+](CCO)CCC(=O)NC(N)=O ZINC000049957160 384071417 /nfs/dbraw/zinc/07/14/17/384071417.db2.gz WXOQCBJXCBVUAA-UHFFFAOYSA-N 1 0 203.242 -1.114 20 0 BAADRO CN(C)C(=O)CC[NH+](CCO)CCO ZINC000050103408 344719891 /nfs/dbraw/zinc/71/98/91/344719891.db2.gz RHDAPYDCHZHAAO-UHFFFAOYSA-N 1 0 204.270 -1.249 20 0 BAADRO CN(C)c1nc(N)nc(CN(C)CCO)n1 ZINC000050104592 348873962 /nfs/dbraw/zinc/87/39/62/348873962.db2.gz RFOGHZGODVBXRV-UHFFFAOYSA-N 1 0 226.284 -1.056 20 0 BAADRO CNC(=O)NC(=O)CC[N@H+](C)CCO ZINC000050104611 384108481 /nfs/dbraw/zinc/10/84/81/384108481.db2.gz MGMYDKAMTMXFET-UHFFFAOYSA-N 1 0 203.242 -1.244 20 0 BAADRO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CO ZINC000050114116 383926911 /nfs/dbraw/zinc/92/69/11/383926911.db2.gz BHTCOBOTJUTHCI-ZCFIWIBFSA-N 1 0 201.226 -1.362 20 0 BAADRO NC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CO ZINC000050114118 358717431 /nfs/dbraw/zinc/71/74/31/358717431.db2.gz BHTCOBOTJUTHCI-LURJTMIESA-N 1 0 201.226 -1.362 20 0 BAADRO O=C(C[N@H+]1CCC[C@@H]1CO)N1CCNC1=O ZINC000050114345 358717533 /nfs/dbraw/zinc/71/75/33/358717533.db2.gz IKMFOWOYYYGIIR-MRVPVSSYSA-N 1 0 227.264 -1.005 20 0 BAADRO O=C(C[N@H+]1CCC[C@H]1CO)N1CCNC1=O ZINC000050114346 358717072 /nfs/dbraw/zinc/71/70/72/358717072.db2.gz IKMFOWOYYYGIIR-QMMMGPOBSA-N 1 0 227.264 -1.005 20 0 BAADRO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CO ZINC000050114678 344724385 /nfs/dbraw/zinc/72/43/85/344724385.db2.gz UVVXIUCTZLWJMX-SSDOTTSWSA-N 1 0 215.253 -1.101 20 0 BAADRO CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CO ZINC000050114681 344724457 /nfs/dbraw/zinc/72/44/57/344724457.db2.gz UVVXIUCTZLWJMX-ZETCQYMHSA-N 1 0 215.253 -1.101 20 0 BAADRO O=C1CNC(=O)N1CC[N@H+]1CCC[C@@H]1CO ZINC000050115488 133469616 /nfs/dbraw/zinc/46/96/16/133469616.db2.gz OMLSFRVZLMPZGZ-MRVPVSSYSA-N 1 0 227.264 -1.005 20 0 BAADRO O=C1CNC(=O)N1CC[N@H+]1CCC[C@H]1CO ZINC000050115491 344643434 /nfs/dbraw/zinc/64/34/34/344643434.db2.gz OMLSFRVZLMPZGZ-QMMMGPOBSA-N 1 0 227.264 -1.005 20 0 BAADRO [NH3+][C@@H]1CCN(C(=O)[C@H]2COCCO2)C1 ZINC000050228135 181586924 /nfs/dbraw/zinc/58/69/24/181586924.db2.gz UNDHLAGJIIKJOQ-HTQZYQBOSA-N 1 0 200.238 -1.039 20 0 BAADRO COCCS(=O)(=O)N1CC[C@H]([NH3+])C1 ZINC000050242000 174371903 /nfs/dbraw/zinc/37/19/03/174371903.db2.gz RMGTXGHCGKAHPM-ZETCQYMHSA-N 1 0 208.283 -1.004 20 0 BAADRO COCCS(=O)(=O)N1CC[C@@H]([NH3+])C1 ZINC000050242001 174371875 /nfs/dbraw/zinc/37/18/75/174371875.db2.gz RMGTXGHCGKAHPM-SSDOTTSWSA-N 1 0 208.283 -1.004 20 0 BAADRO [NH3+][C@@H]1CCN(S(=O)(=O)N2CCOCC2)C1 ZINC000050242166 384172196 /nfs/dbraw/zinc/17/21/96/384172196.db2.gz XJIGSAQHAOENAP-MRVPVSSYSA-N 1 0 235.309 -1.404 20 0 BAADRO [NH3+][C@H]1CCN(S(=O)(=O)N2CCOCC2)C1 ZINC000050242167 643657451 /nfs/dbraw/zinc/65/74/51/643657451.db2.gz XJIGSAQHAOENAP-QMMMGPOBSA-N 1 0 235.309 -1.404 20 0 BAADRO CNC(=O)NC(=O)CN1CC[C@H]([NH3+])C1 ZINC000050242810 173287024 /nfs/dbraw/zinc/28/70/24/173287024.db2.gz DAXLAQVHFPRBHN-LURJTMIESA-N 1 0 200.242 -1.525 20 0 BAADRO CNC(=O)NC(=O)CN1CC[C@@H]([NH3+])C1 ZINC000050242811 173287361 /nfs/dbraw/zinc/28/73/61/173287361.db2.gz DAXLAQVHFPRBHN-ZCFIWIBFSA-N 1 0 200.242 -1.525 20 0 BAADRO CNC(=O)NC(=O)CCN1CC[C@H]([NH3+])C1 ZINC000050243116 173286031 /nfs/dbraw/zinc/28/60/31/173286031.db2.gz OFVVCFGJKILTAT-ZETCQYMHSA-N 1 0 214.269 -1.135 20 0 BAADRO CNC(=O)NC(=O)CCN1CC[C@@H]([NH3+])C1 ZINC000050243117 173286101 /nfs/dbraw/zinc/28/61/01/173286101.db2.gz OFVVCFGJKILTAT-SSDOTTSWSA-N 1 0 214.269 -1.135 20 0 BAADRO CCNC(=O)NC(=O)CN1CC[C@H]([NH3+])C1 ZINC000050243296 170075981 /nfs/dbraw/zinc/07/59/81/170075981.db2.gz QDDMOYXFFDPZMT-ZETCQYMHSA-N 1 0 214.269 -1.135 20 0 BAADRO CCNC(=O)NC(=O)CN1CC[C@@H]([NH3+])C1 ZINC000050243297 170075761 /nfs/dbraw/zinc/07/57/61/170075761.db2.gz QDDMOYXFFDPZMT-SSDOTTSWSA-N 1 0 214.269 -1.135 20 0 BAADRO CNC(=O)NC(=O)[C@H](C)N1CC[C@H]([NH3+])C1 ZINC000050243888 173288185 /nfs/dbraw/zinc/28/81/85/173288185.db2.gz MFZVJTNQMLIOGS-BQBZGAKWSA-N 1 0 214.269 -1.137 20 0 BAADRO CNC(=O)NC(=O)[C@@H](C)N1CC[C@H]([NH3+])C1 ZINC000050243889 173287986 /nfs/dbraw/zinc/28/79/86/173287986.db2.gz MFZVJTNQMLIOGS-RQJHMYQMSA-N 1 0 214.269 -1.137 20 0 BAADRO C[C@@H](C(=O)NC(N)=O)N1CC[C@H]([NH3+])C1 ZINC000050243892 383986714 /nfs/dbraw/zinc/98/67/14/383986714.db2.gz NXIVSZGRRADJFT-WDSKDSINSA-N 1 0 200.242 -1.397 20 0 BAADRO C[C@H](C(=O)NC(N)=O)N1CC[C@H]([NH3+])C1 ZINC000050243893 383986622 /nfs/dbraw/zinc/98/66/22/383986622.db2.gz NXIVSZGRRADJFT-RITPCOANSA-N 1 0 200.242 -1.397 20 0 BAADRO Cc1nc(S(=O)(=O)NCC[NH3+])cn1C ZINC000050252227 180028066 /nfs/dbraw/zinc/02/80/66/180028066.db2.gz USJFUVYJLNHLFY-UHFFFAOYSA-N 1 0 218.282 -1.034 20 0 BAADRO C[C@@H](CC[NH3+])NS(=O)(=O)N1CCOCC1 ZINC000050378247 344801544 /nfs/dbraw/zinc/80/15/44/344801544.db2.gz GNUVBOUXVMUDAI-QMMMGPOBSA-N 1 0 237.325 -1.110 20 0 BAADRO C[C@H](CC[NH3+])NS(=O)(=O)N1CCOCC1 ZINC000050378248 344801267 /nfs/dbraw/zinc/80/12/67/344801267.db2.gz GNUVBOUXVMUDAI-MRVPVSSYSA-N 1 0 237.325 -1.110 20 0 BAADRO [NH3+][C@@H]1C[C@@H]1C(=O)NCCN1CCOCC1 ZINC000050456680 343022063 /nfs/dbraw/zinc/02/20/63/343022063.db2.gz IFNJXXCFEAEKTC-DTWKUNHWSA-N 1 0 213.281 -1.218 20 0 BAADRO [NH3+][C@@H]1C[C@@H]1C(=O)N1CCN(CCO)CC1 ZINC000050458581 386674437 /nfs/dbraw/zinc/67/44/37/386674437.db2.gz RKBIMIQEXXOUQR-DTWKUNHWSA-N 1 0 213.281 -1.530 20 0 BAADRO CS(=O)(=O)NCCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050458717 353170237 /nfs/dbraw/zinc/17/02/37/353170237.db2.gz JFMANWILHPVDKK-RITPCOANSA-N 1 0 221.282 -2.001 20 0 BAADRO [NH3+][C@@H]1C[C@@H]1C(=O)N1CCS(=O)(=O)CC1 ZINC000050459091 386673092 /nfs/dbraw/zinc/67/30/92/386673092.db2.gz CYCGHJKQGCFZHJ-NKWVEPMBSA-N 1 0 218.278 -1.409 20 0 BAADRO CN(C(=O)[C@@H]1C[C@@H]1[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000050459291 350342903 /nfs/dbraw/zinc/34/29/03/350342903.db2.gz UXUIKJVYNTVVGF-PRJMDXOYSA-N 1 0 232.305 -1.021 20 0 BAADRO CN(C(=O)[C@@H]1C[C@@H]1[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000050459292 350343028 /nfs/dbraw/zinc/34/30/28/350343028.db2.gz UXUIKJVYNTVVGF-RNJXMRFFSA-N 1 0 232.305 -1.021 20 0 BAADRO CS(=O)(=O)CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050459431 641154470 /nfs/dbraw/zinc/15/44/70/641154470.db2.gz YJCDDBDUYKFSPV-RITPCOANSA-N 1 0 206.267 -1.506 20 0 BAADRO CNC(=O)Cn1cc(NC(=O)[C@@H]2C[C@@H]2[NH3+])cn1 ZINC000050459592 343022075 /nfs/dbraw/zinc/02/20/75/343022075.db2.gz GANYQVPCUAYHAX-SFYZADRCSA-N 1 0 237.263 -1.085 20 0 BAADRO COCCN(CC(=O)N(C)C)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050462351 343022300 /nfs/dbraw/zinc/02/23/00/343022300.db2.gz NHPYUTNRDQEWEW-BDAKNGLRSA-N 1 0 243.307 -1.103 20 0 BAADRO COCC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000050462587 350342827 /nfs/dbraw/zinc/34/28/27/350342827.db2.gz FIHFVWYBYTVFPM-BDAKNGLRSA-N 1 0 241.291 -1.349 20 0 BAADRO CNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000050463263 350343309 /nfs/dbraw/zinc/34/33/09/350343309.db2.gz LOLODULLJLMLKF-BDAKNGLRSA-N 1 0 240.307 -1.776 20 0 BAADRO COCCCNC(=O)CN(C)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050463353 343022337 /nfs/dbraw/zinc/02/23/37/343022337.db2.gz COYZEIWGNMIXOU-BDAKNGLRSA-N 1 0 243.307 -1.055 20 0 BAADRO COC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000050463469 343022355 /nfs/dbraw/zinc/02/23/55/343022355.db2.gz QYLCSLGMUDFCOD-BDAKNGLRSA-N 1 0 241.291 -1.349 20 0 BAADRO CS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000050464035 386674723 /nfs/dbraw/zinc/67/47/23/386674723.db2.gz PNYBYPINJPJNKR-SFYZADRCSA-N 1 0 247.320 -1.563 20 0 BAADRO CS(=O)(=O)CCCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050464164 343022726 /nfs/dbraw/zinc/02/27/26/343022726.db2.gz JSOJMLBJBZEZLU-RQJHMYQMSA-N 1 0 220.294 -1.116 20 0 BAADRO NS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@H]2[NH3+])CC1 ZINC000050464292 386674149 /nfs/dbraw/zinc/67/41/49/386674149.db2.gz BLLXUTSBBQKRPK-NKWVEPMBSA-N 1 0 248.308 -2.319 20 0 BAADRO [NH3+][C@@H]1C[C@@H]1C(=O)N1CCS(=O)CC1 ZINC000050465135 385010077 /nfs/dbraw/zinc/01/00/77/385010077.db2.gz RVOBASIGBASDCH-NKWVEPMBSA-N 1 0 202.279 -1.076 20 0 BAADRO NS(=O)(=O)CCCNC(=O)[C@H]1C[C@H]1[NH3+] ZINC000050465482 343022893 /nfs/dbraw/zinc/02/28/93/343022893.db2.gz WBCVLPHGSGYTHQ-NTSWFWBYSA-N 1 0 221.282 -1.872 20 0 BAADRO CNC(=O)C[N@H+](C)CCC(=O)NC(=O)NC ZINC000051739618 350818918 /nfs/dbraw/zinc/81/89/18/350818918.db2.gz NRXGGEJYCGVGJZ-UHFFFAOYSA-N 1 0 230.268 -1.490 20 0 BAADRO CNC(=O)C[N@H+](C)C[C@H](O)Cn1cccn1 ZINC000051739759 350818457 /nfs/dbraw/zinc/81/84/57/350818457.db2.gz HGEOYSLWMUXPFX-VIFPVBQESA-N 1 0 226.280 -1.078 20 0 BAADRO CNC(=O)C[N@H+](C)C[C@@H](O)Cn1cccn1 ZINC000051739760 350818799 /nfs/dbraw/zinc/81/87/99/350818799.db2.gz HGEOYSLWMUXPFX-SECBINFHSA-N 1 0 226.280 -1.078 20 0 BAADRO C[NH+](C)CC(=O)N1CCN(CC(N)=O)CC1 ZINC000051762624 384842331 /nfs/dbraw/zinc/84/23/31/384842331.db2.gz PECPGADDVCELAA-UHFFFAOYSA-N 1 0 228.296 -1.823 20 0 BAADRO COC(=O)CN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051762810 386869122 /nfs/dbraw/zinc/86/91/22/386869122.db2.gz RKMKCQDPPBWDNY-UHFFFAOYSA-N 1 0 243.307 -1.135 20 0 BAADRO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)O ZINC000051821472 173286095 /nfs/dbraw/zinc/28/60/95/173286095.db2.gz VQPQKHNLUMYFSQ-LURJTMIESA-N 1 0 203.242 -1.245 20 0 BAADRO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)O ZINC000051821473 173286128 /nfs/dbraw/zinc/28/61/28/173286128.db2.gz VQPQKHNLUMYFSQ-ZCFIWIBFSA-N 1 0 203.242 -1.245 20 0 BAADRO C[C@H](O)C[N@H+](C)CC(=O)N1CCNC1=O ZINC000051821564 346084399 /nfs/dbraw/zinc/08/43/99/346084399.db2.gz GXFIDMTXPHKOOU-ZETCQYMHSA-N 1 0 215.253 -1.149 20 0 BAADRO C[C@@H](O)C[N@H+](C)CC(=O)N1CCNC1=O ZINC000051821565 346084069 /nfs/dbraw/zinc/08/40/69/346084069.db2.gz GXFIDMTXPHKOOU-SSDOTTSWSA-N 1 0 215.253 -1.149 20 0 BAADRO C[C@H](O)C[N@H+](C)CCC(=O)NC(N)=O ZINC000051821720 358069010 /nfs/dbraw/zinc/06/90/10/358069010.db2.gz JDTIYUZXMMWPSP-LURJTMIESA-N 1 0 203.242 -1.116 20 0 BAADRO C[C@@H](O)C[N@H+](C)CCC(=O)NC(N)=O ZINC000051821721 358069067 /nfs/dbraw/zinc/06/90/67/358069067.db2.gz JDTIYUZXMMWPSP-ZCFIWIBFSA-N 1 0 203.242 -1.116 20 0 BAADRO C[C@H](O)C[N@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC000051822062 358763974 /nfs/dbraw/zinc/76/39/74/358763974.db2.gz LARGYKNFHMGSBH-QMMMGPOBSA-N 1 0 241.291 -1.103 20 0 BAADRO C[C@@H](O)C[N@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC000051822063 358764435 /nfs/dbraw/zinc/76/44/35/358764435.db2.gz LARGYKNFHMGSBH-MRVPVSSYSA-N 1 0 241.291 -1.103 20 0 BAADRO C[C@H](O)C[N@H+](C)CCN1C(=O)CNC1=O ZINC000051838721 346094958 /nfs/dbraw/zinc/09/49/58/346094958.db2.gz ILYURLOWXJNOQS-ZETCQYMHSA-N 1 0 215.253 -1.149 20 0 BAADRO C[C@@H](O)C[N@H+](C)CCN1C(=O)CNC1=O ZINC000051838722 346094774 /nfs/dbraw/zinc/09/47/74/346094774.db2.gz ILYURLOWXJNOQS-SSDOTTSWSA-N 1 0 215.253 -1.149 20 0 BAADRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC000051838752 346095029 /nfs/dbraw/zinc/09/50/29/346095029.db2.gz LXHGDBROUGHMJQ-WDSKDSINSA-N 1 0 203.242 -1.118 20 0 BAADRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC000051838754 346094975 /nfs/dbraw/zinc/09/49/75/346094975.db2.gz LXHGDBROUGHMJQ-RITPCOANSA-N 1 0 203.242 -1.118 20 0 BAADRO CCNC(=[NH2+])NCCNS(C)(=O)=O ZINC000052042055 632780557 /nfs/dbraw/zinc/78/05/57/632780557.db2.gz KWRGTIUIBDWMAU-UHFFFAOYSA-N 1 0 208.287 -1.331 20 0 BAADRO CS(=O)(=O)NCCNC(=[NH2+])NC1CC1 ZINC000052042061 632051142 /nfs/dbraw/zinc/05/11/42/632051142.db2.gz NFECYJJMGMSDCY-UHFFFAOYSA-N 1 0 220.298 -1.188 20 0 BAADRO O=C(N[C@H]1CC[NH2+]C1)[C@@H]1COCCO1 ZINC000052092811 350916534 /nfs/dbraw/zinc/91/65/34/350916534.db2.gz JAAXZCLRUUMRKB-YUMQZZPRSA-N 1 0 200.238 -1.120 20 0 BAADRO O=C(N[C@H]1CC[NH2+]C1)[C@H]1COCCO1 ZINC000052092813 182336189 /nfs/dbraw/zinc/33/61/89/182336189.db2.gz JAAXZCLRUUMRKB-JGVFFNPUSA-N 1 0 200.238 -1.120 20 0 BAADRO CS(=O)(=O)CCC(=O)N[C@H]1CC[NH2+]C1 ZINC000052092847 175420168 /nfs/dbraw/zinc/42/01/68/175420168.db2.gz DFIBMVWCPOKTAB-ZETCQYMHSA-N 1 0 220.294 -1.101 20 0 BAADRO O=C(N[C@H]1CC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000052092928 182336023 /nfs/dbraw/zinc/33/60/23/182336023.db2.gz VZLZJTXHNJYXND-SFYZADRCSA-N 1 0 232.305 -1.101 20 0 BAADRO O=C(N[C@H]1CC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000052092930 182336773 /nfs/dbraw/zinc/33/67/73/182336773.db2.gz VZLZJTXHNJYXND-YUMQZZPRSA-N 1 0 232.305 -1.101 20 0 BAADRO O=C(N[C@H]1CC[NH2+]C1)c1cc(=O)[nH]c(=O)[nH]1 ZINC000052093074 182335821 /nfs/dbraw/zinc/33/58/21/182335821.db2.gz RKSPNZQMJDVQPE-YFKPBYRVSA-N 1 0 224.220 -1.433 20 0 BAADRO O=C(N[C@H]1CC[NH2+]C1)c1c[nH]c(=O)cn1 ZINC000052093150 182336156 /nfs/dbraw/zinc/33/61/56/182336156.db2.gz SGFOAAMCXSJKOV-LURJTMIESA-N 1 0 208.221 -1.138 20 0 BAADRO Cn1cnc(S(=O)(=O)NCC[NH3+])c1 ZINC000052095836 387801224 /nfs/dbraw/zinc/80/12/24/387801224.db2.gz FSRATQZVMBLHFG-UHFFFAOYSA-N 1 0 204.255 -1.343 20 0 BAADRO CCNC(=O)C[N@H+](C)CCC(=O)NC(=O)NC ZINC000052189061 358147665 /nfs/dbraw/zinc/14/76/65/358147665.db2.gz JLDVYZLGYKFXOQ-UHFFFAOYSA-N 1 0 244.295 -1.100 20 0 BAADRO C[NH2+][C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC000053202361 173432486 /nfs/dbraw/zinc/43/24/86/173432486.db2.gz HJVITMZNMUHUEB-MRVPVSSYSA-N 1 0 224.268 -1.117 20 0 BAADRO C[NH2+][C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC000053202362 387020254 /nfs/dbraw/zinc/02/02/54/387020254.db2.gz HJVITMZNMUHUEB-QMMMGPOBSA-N 1 0 224.268 -1.117 20 0 BAADRO C[NH2+][C@@H]1CCCN(CC(=O)NC(N)=O)C1 ZINC000053203838 385456484 /nfs/dbraw/zinc/45/64/84/385456484.db2.gz DOCUOHYLJCYDOL-SSDOTTSWSA-N 1 0 214.269 -1.135 20 0 BAADRO C[NH2+][C@H]1CCCN(CC(=O)NC(N)=O)C1 ZINC000053203839 173461557 /nfs/dbraw/zinc/46/15/57/173461557.db2.gz DOCUOHYLJCYDOL-ZETCQYMHSA-N 1 0 214.269 -1.135 20 0 BAADRO O=C(Cn1cnnn1)NC[C@@H]1CCC[NH2+]1 ZINC000053253687 182073405 /nfs/dbraw/zinc/07/34/05/182073405.db2.gz CFKPIHHYIXRFDH-ZETCQYMHSA-N 1 0 210.241 -1.459 20 0 BAADRO O=C(Cn1cnnn1)NC[C@H]1CCC[NH2+]1 ZINC000053253688 182073778 /nfs/dbraw/zinc/07/37/78/182073778.db2.gz CFKPIHHYIXRFDH-SSDOTTSWSA-N 1 0 210.241 -1.459 20 0 BAADRO O=S(=O)(NC[C@H]1CCC[NH2+]1)N1CCOCC1 ZINC000053254609 387021675 /nfs/dbraw/zinc/02/16/75/387021675.db2.gz RFIQXPUIDRBISJ-SECBINFHSA-N 1 0 249.336 -1.095 20 0 BAADRO O=S(=O)(NC[C@@H]1CCC[NH2+]1)N1CCOCC1 ZINC000053254610 182896616 /nfs/dbraw/zinc/89/66/16/182896616.db2.gz RFIQXPUIDRBISJ-VIFPVBQESA-N 1 0 249.336 -1.095 20 0 BAADRO O=C(CCN1CCNC(=O)C1)N1CC[NH2+]CC1 ZINC000053298536 387022568 /nfs/dbraw/zinc/02/25/68/387022568.db2.gz OOKUXBOCWZQWEE-UHFFFAOYSA-N 1 0 240.307 -1.760 20 0 BAADRO O=C(CCN1C(=O)CCC1=O)N1CC[NH2+]CC1 ZINC000053299293 387023092 /nfs/dbraw/zinc/02/30/92/387023092.db2.gz YCKRYPNSAAABTI-UHFFFAOYSA-N 1 0 239.275 -1.043 20 0 BAADRO COCCC(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000053731102 174120325 /nfs/dbraw/zinc/12/03/25/174120325.db2.gz ZRRJOJHOBSWAGD-UHFFFAOYSA-N 1 0 243.307 -1.087 20 0 BAADRO COCCC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000053731790 348727464 /nfs/dbraw/zinc/72/74/64/348727464.db2.gz RAJFMQMZCYAGBI-UHFFFAOYSA-N 1 0 229.280 -1.429 20 0 BAADRO CCOCCC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000053733680 348727820 /nfs/dbraw/zinc/72/78/20/348727820.db2.gz IIXSUZKDIXHSEO-UHFFFAOYSA-N 1 0 243.307 -1.039 20 0 BAADRO C[NH2+][C@@H](C)C(=O)N1CCN(CCO)CC1 ZINC000054072141 398023232 /nfs/dbraw/zinc/02/32/32/398023232.db2.gz TWGOZXFWCPVMFS-VIFPVBQESA-N 1 0 215.297 -1.269 20 0 BAADRO C[NH2+][C@@H](C)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000054074852 398023506 /nfs/dbraw/zinc/02/35/06/398023506.db2.gz FFZKAZYXBWVNNI-QMMMGPOBSA-N 1 0 249.336 -1.302 20 0 BAADRO C[NH2+][C@@H](C)C(=O)N1CCN(C(=O)COC)CC1 ZINC000054075219 384729724 /nfs/dbraw/zinc/72/97/24/384729724.db2.gz WRCOTZKXLYQVEJ-VIFPVBQESA-N 1 0 243.307 -1.089 20 0 BAADRO CC[N@H+](C)CCNC(=O)CNC(=O)C[NH3+] ZINC000054133239 347469021 /nfs/dbraw/zinc/46/90/21/347469021.db2.gz JYBPTFWIOIKQRR-UHFFFAOYSA-N 1 0 216.285 -1.871 20 0 BAADRO C[C@@H](C[NH3+])CNS(=O)(=O)N1CCOCC1 ZINC000054140472 397904579 /nfs/dbraw/zinc/90/45/79/397904579.db2.gz KLOSZXHZVQFVHW-QMMMGPOBSA-N 1 0 237.325 -1.252 20 0 BAADRO C[C@H](C[NH3+])CNS(=O)(=O)N1CCOCC1 ZINC000054140474 397904887 /nfs/dbraw/zinc/90/48/87/397904887.db2.gz KLOSZXHZVQFVHW-MRVPVSSYSA-N 1 0 237.325 -1.252 20 0 BAADRO C[NH2+]CCNS(=O)(=O)c1cn(C)cn1 ZINC000054244525 173356787 /nfs/dbraw/zinc/35/67/87/173356787.db2.gz WLHJKYMMHXKMLT-UHFFFAOYSA-N 1 0 218.282 -1.082 20 0 BAADRO C[NH2+]CCNS(=O)(=O)c1cnn(C)c1 ZINC000054244540 173356875 /nfs/dbraw/zinc/35/68/75/173356875.db2.gz SZCMYVNCXDZICP-UHFFFAOYSA-N 1 0 218.282 -1.082 20 0 BAADRO C[NH2+]CCNS(=O)(=O)N1CCOCC1 ZINC000054244579 173355804 /nfs/dbraw/zinc/35/58/04/173355804.db2.gz QHKZHICUZGOGBM-UHFFFAOYSA-N 1 0 223.298 -1.628 20 0 BAADRO CNC(=O)NC(=O)CN1CCNC(=O)CC1 ZINC000054257682 398184407 /nfs/dbraw/zinc/18/44/07/398184407.db2.gz WOGIGYBLMJGTPW-UHFFFAOYSA-N 1 0 228.252 -1.736 20 0 BAADRO CCC[NH2+]CCNC(=O)Cn1cnnn1 ZINC000054264201 169258732 /nfs/dbraw/zinc/25/87/32/169258732.db2.gz QOQMLWAKRCVNKF-UHFFFAOYSA-N 1 0 212.257 -1.211 20 0 BAADRO O=C(Cn1cnnn1)NCC[NH2+]C1CC1 ZINC000054265743 411264164 /nfs/dbraw/zinc/26/41/64/411264164.db2.gz HXRCSKHMCYLJAJ-UHFFFAOYSA-N 1 0 210.241 -1.459 20 0 BAADRO CC[NH2+]CCNS(=O)(=O)N1CCOCC1 ZINC000054266281 170116306 /nfs/dbraw/zinc/11/63/06/170116306.db2.gz WXPXKQOZSFEWEP-UHFFFAOYSA-N 1 0 237.325 -1.238 20 0 BAADRO O=S(=O)(NCC[NH2+]C1CC1)N1CCOCC1 ZINC000054267067 411264382 /nfs/dbraw/zinc/26/43/82/411264382.db2.gz NGKCHWRBCFNAKS-UHFFFAOYSA-N 1 0 249.336 -1.095 20 0 BAADRO CNC(=O)CN1CCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000054340652 348991316 /nfs/dbraw/zinc/99/13/16/348991316.db2.gz AWZXQCYRMAPTNU-VIFPVBQESA-N 1 0 242.323 -1.529 20 0 BAADRO CNC(=O)CN1CCN(C(=O)[C@H](C)C[NH3+])CC1 ZINC000054340654 348991613 /nfs/dbraw/zinc/99/16/13/348991613.db2.gz AWZXQCYRMAPTNU-SECBINFHSA-N 1 0 242.323 -1.529 20 0 BAADRO C[C@@H](C[NH3+])C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000054340765 636426014 /nfs/dbraw/zinc/42/60/14/636426014.db2.gz TWPLRLZLICHPKY-QMMMGPOBSA-N 1 0 249.336 -1.315 20 0 BAADRO C[C@H](C[NH3+])C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000054340768 636425915 /nfs/dbraw/zinc/42/59/15/636425915.db2.gz TWPLRLZLICHPKY-MRVPVSSYSA-N 1 0 249.336 -1.315 20 0 BAADRO COCC(=O)N1CCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000054341342 174042834 /nfs/dbraw/zinc/04/28/34/174042834.db2.gz KXLBQCUZXVGPQV-VIFPVBQESA-N 1 0 243.307 -1.102 20 0 BAADRO COCC(=O)N1CCN(C(=O)[C@H](C)C[NH3+])CC1 ZINC000054341344 174042749 /nfs/dbraw/zinc/04/27/49/174042749.db2.gz KXLBQCUZXVGPQV-SECBINFHSA-N 1 0 243.307 -1.102 20 0 BAADRO C[C@@H]1C[NH2+]CCN1C(=O)Cn1cnnn1 ZINC000054370143 176325926 /nfs/dbraw/zinc/32/59/26/176325926.db2.gz QVFOYJUJTSOLET-SSDOTTSWSA-N 1 0 210.241 -1.507 20 0 BAADRO C[C@H]1C[NH2+]CCN1C(=O)Cn1cnnn1 ZINC000054370145 177282435 /nfs/dbraw/zinc/28/24/35/177282435.db2.gz QVFOYJUJTSOLET-ZETCQYMHSA-N 1 0 210.241 -1.507 20 0 BAADRO C[C@@H]1C[NH2+]CCN1CCN1C(=O)CNC1=O ZINC000054372310 176327187 /nfs/dbraw/zinc/32/71/87/176327187.db2.gz PHEVVYDVGXVRDP-MRVPVSSYSA-N 1 0 226.280 -1.168 20 0 BAADRO C[C@H]1C[NH2+]CCN1CCN1C(=O)CNC1=O ZINC000054372311 177283934 /nfs/dbraw/zinc/28/39/34/177283934.db2.gz PHEVVYDVGXVRDP-QMMMGPOBSA-N 1 0 226.280 -1.168 20 0 BAADRO CNC(=O)NC(=O)CN1CC[NH2+]C[C@H]1C ZINC000054373027 173287391 /nfs/dbraw/zinc/28/73/91/173287391.db2.gz REBJEUNKDZBUBU-SSDOTTSWSA-N 1 0 214.269 -1.264 20 0 BAADRO CNC(=O)NC(=O)CN1CC[NH2+]C[C@@H]1C ZINC000054373029 173287129 /nfs/dbraw/zinc/28/71/29/173287129.db2.gz REBJEUNKDZBUBU-ZETCQYMHSA-N 1 0 214.269 -1.264 20 0 BAADRO C[C@@H]1C[NH2+]CCN1CC(=O)NC(N)=O ZINC000054373139 176326664 /nfs/dbraw/zinc/32/66/64/176326664.db2.gz BLVZLADSYFJOCA-ZCFIWIBFSA-N 1 0 200.242 -1.525 20 0 BAADRO C[C@H]1C[NH2+]CCN1CC(=O)NC(N)=O ZINC000054373140 177283826 /nfs/dbraw/zinc/28/38/26/177283826.db2.gz BLVZLADSYFJOCA-LURJTMIESA-N 1 0 200.242 -1.525 20 0 BAADRO O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1COCCO1 ZINC000055297750 182229782 /nfs/dbraw/zinc/22/97/82/182229782.db2.gz SXYYMJVMDULBOM-IUCAKERBSA-N 1 0 230.264 -1.494 20 0 BAADRO O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1COCCO1 ZINC000055297752 182245678 /nfs/dbraw/zinc/24/56/78/182245678.db2.gz SXYYMJVMDULBOM-BDAKNGLRSA-N 1 0 230.264 -1.494 20 0 BAADRO O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1COCCO1 ZINC000055297755 182246420 /nfs/dbraw/zinc/24/64/20/182246420.db2.gz SXYYMJVMDULBOM-RKDXNWHRSA-N 1 0 230.264 -1.494 20 0 BAADRO O=C1CNC(=O)N1CC[N@H+]1CCC[C@H](O)C1 ZINC000055481692 368232366 /nfs/dbraw/zinc/23/23/66/368232366.db2.gz CDJWPDQBVPGNBP-QMMMGPOBSA-N 1 0 227.264 -1.005 20 0 BAADRO O=C1CNC(=O)N1CC[N@H+]1CCC[C@@H](O)C1 ZINC000055481698 368241040 /nfs/dbraw/zinc/24/10/40/368241040.db2.gz CDJWPDQBVPGNBP-MRVPVSSYSA-N 1 0 227.264 -1.005 20 0 BAADRO C[NH+](C)CC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000057941699 191132357 /nfs/dbraw/zinc/13/23/57/191132357.db2.gz ASQNZQQAXXUWKC-UHFFFAOYSA-N 1 0 249.336 -1.348 20 0 BAADRO CCS(=O)(=O)CC(=O)N1CC[NH2+]CC1 ZINC000058262546 398136378 /nfs/dbraw/zinc/13/63/78/398136378.db2.gz UCSDBPNUFGMTRT-UHFFFAOYSA-N 1 0 220.294 -1.147 20 0 BAADRO C[N@@H+]1CCCN(C(=O)Cn2cnnn2)CC1 ZINC000058816581 358915250 /nfs/dbraw/zinc/91/52/50/358915250.db2.gz OSCNUHSLLMURBG-UHFFFAOYSA-N 1 0 224.268 -1.163 20 0 BAADRO C[N@@H+]1CCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC000060411176 369478753 /nfs/dbraw/zinc/47/87/53/369478753.db2.gz KEKMBTHUIPSKSS-QMMMGPOBSA-N 1 0 224.268 -1.117 20 0 BAADRO O=C(CN1CCC[NH2+]CC1)N1CCNC(=O)C1 ZINC000061269147 386451466 /nfs/dbraw/zinc/45/14/66/386451466.db2.gz MJWOEALTJWVCAT-UHFFFAOYSA-N 1 0 240.307 -1.760 20 0 BAADRO COC(=O)CCNC(=O)CN1CCC[NH2+]CC1 ZINC000061273981 349373852 /nfs/dbraw/zinc/37/38/52/349373852.db2.gz YYSPFMQHYIBWDI-UHFFFAOYSA-N 1 0 243.307 -1.039 20 0 BAADRO CC[C@@H](C(N)=O)N1CCO[C@H](C[NH3+])C1 ZINC000061676178 385744375 /nfs/dbraw/zinc/74/43/75/385744375.db2.gz CVHRJIJKGQVWDQ-SFYZADRCSA-N 1 0 201.270 -1.090 20 0 BAADRO CC[C@H](C(N)=O)N1CCO[C@H](C[NH3+])C1 ZINC000061676179 171244461 /nfs/dbraw/zinc/24/44/61/171244461.db2.gz CVHRJIJKGQVWDQ-HTQZYQBOSA-N 1 0 201.270 -1.090 20 0 BAADRO CNC(=O)NC(=O)CC[N@@H+]1CC[C@H](O)C1 ZINC000061707985 386543558 /nfs/dbraw/zinc/54/35/58/386543558.db2.gz FZXUUHVZUUANRP-ZETCQYMHSA-N 1 0 215.253 -1.101 20 0 BAADRO CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H](O)C1 ZINC000061707986 386544455 /nfs/dbraw/zinc/54/44/55/386544455.db2.gz FZXUUHVZUUANRP-SSDOTTSWSA-N 1 0 215.253 -1.101 20 0 BAADRO CN1CCN(C(=O)C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000061709101 358936499 /nfs/dbraw/zinc/93/64/99/358936499.db2.gz ZGOVHMKUHQOYGS-JTQLQIEISA-N 1 0 227.308 -1.173 20 0 BAADRO CN1CCN(C(=O)C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000061709102 387845555 /nfs/dbraw/zinc/84/55/55/387845555.db2.gz ZGOVHMKUHQOYGS-SNVBAGLBSA-N 1 0 227.308 -1.173 20 0 BAADRO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](O)C1 ZINC000061709243 386544011 /nfs/dbraw/zinc/54/40/11/386544011.db2.gz VXAJSKMZEFPQAJ-BQBZGAKWSA-N 1 0 215.253 -1.103 20 0 BAADRO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](O)C1 ZINC000061709244 386544034 /nfs/dbraw/zinc/54/40/34/386544034.db2.gz VXAJSKMZEFPQAJ-RQJHMYQMSA-N 1 0 215.253 -1.103 20 0 BAADRO Cn1ccnc(N2CCN(CC[NH3+])CC2)c1=O ZINC000061746901 132239564 /nfs/dbraw/zinc/23/95/64/132239564.db2.gz LJISXOKTSTYBAV-UHFFFAOYSA-N 1 0 237.307 -1.139 20 0 BAADRO CNC(=O)CN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000061757911 384756392 /nfs/dbraw/zinc/75/63/92/384756392.db2.gz QFMGLPMTOIVKCW-UHFFFAOYSA-N 1 0 242.323 -1.562 20 0 BAADRO CN(CC(=O)N(C)C)CC(=O)N1CCOCC1 ZINC000061784519 345948291 /nfs/dbraw/zinc/94/82/91/345948291.db2.gz FOUUSVSMBDVUEL-UHFFFAOYSA-N 1 0 243.307 -1.135 20 0 BAADRO [NH3+]CC(=O)NCC(=O)N1CCCOCC1 ZINC000061920580 181350759 /nfs/dbraw/zinc/35/07/59/181350759.db2.gz BVWFWQWEUQTKRP-UHFFFAOYSA-N 1 0 215.253 -1.690 20 0 BAADRO COCCCN(C)C(=O)CNC(=O)C[NH3+] ZINC000062033621 386560384 /nfs/dbraw/zinc/56/03/84/386560384.db2.gz STZCAEMIOWKMAZ-UHFFFAOYSA-N 1 0 217.269 -1.444 20 0 BAADRO C[C@H]([NH3+])CN1CCN(S(C)(=O)=O)CC1 ZINC000062083392 385050566 /nfs/dbraw/zinc/05/05/66/385050566.db2.gz KCILVLBMXSNECR-QMMMGPOBSA-N 1 0 221.326 -1.089 20 0 BAADRO C[C@@H]([NH3+])CN1CCN(S(C)(=O)=O)CC1 ZINC000062083394 385053243 /nfs/dbraw/zinc/05/32/43/385053243.db2.gz KCILVLBMXSNECR-MRVPVSSYSA-N 1 0 221.326 -1.089 20 0 BAADRO O=C([C@@H]1CC[NH2+]C1)N1CCN(CCO)CC1 ZINC000062112797 386503177 /nfs/dbraw/zinc/50/31/77/386503177.db2.gz HQEIATUGKWYWFH-SNVBAGLBSA-N 1 0 227.308 -1.268 20 0 BAADRO O=C([C@H]1CC[NH2+]C1)N1CCN(CCO)CC1 ZINC000062112798 386502555 /nfs/dbraw/zinc/50/25/55/386502555.db2.gz HQEIATUGKWYWFH-JTQLQIEISA-N 1 0 227.308 -1.268 20 0 BAADRO CC[N@H+](CCC(=O)NC(N)=O)CC(=O)N(C)C ZINC000062361387 388650959 /nfs/dbraw/zinc/65/09/59/388650959.db2.gz FEDFOHPSZIPAAC-UHFFFAOYSA-N 1 0 244.295 -1.019 20 0 BAADRO CC[N@H+](CCC(=O)NC(N)=O)CC(=O)NC ZINC000062361433 641041161 /nfs/dbraw/zinc/04/11/61/641041161.db2.gz RYZPRQYEUKSVEA-UHFFFAOYSA-N 1 0 230.268 -1.361 20 0 BAADRO C[NH+](C)CCNC(=O)[C@@H]1COC(=O)N1 ZINC000062619554 385179124 /nfs/dbraw/zinc/17/91/24/385179124.db2.gz YPQGMMQCFIZWLZ-LURJTMIESA-N 1 0 201.226 -1.227 20 0 BAADRO C[NH+](C)CCNC(=O)[C@H]1COC(=O)N1 ZINC000062619556 385178356 /nfs/dbraw/zinc/17/83/56/385178356.db2.gz YPQGMMQCFIZWLZ-ZCFIWIBFSA-N 1 0 201.226 -1.227 20 0 BAADRO O=C(CNC(=O)c1ccn[nH]1)N1CC[NH2+]CC1 ZINC000062778130 182121441 /nfs/dbraw/zinc/12/14/41/182121441.db2.gz YZMKQFBXOFBZLT-UHFFFAOYSA-N 1 0 237.263 -1.429 20 0 BAADRO O=C(COC1C[NH2+]C1)N1CCOCC1 ZINC000062809835 386614637 /nfs/dbraw/zinc/61/46/37/386614637.db2.gz AKLDYVGZRLIJRC-UHFFFAOYSA-N 1 0 200.238 -1.166 20 0 BAADRO CN1CCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000062809878 173067131 /nfs/dbraw/zinc/06/71/31/173067131.db2.gz RGZXGVDJUQSLBU-UHFFFAOYSA-N 1 0 213.281 -1.251 20 0 BAADRO C[C@]1(C(=O)N2CCNC(=O)C2)CC[NH2+]C1 ZINC000062889567 177453512 /nfs/dbraw/zinc/45/35/12/177453512.db2.gz OCLNMXHBNYXUSF-JTQLQIEISA-N 1 0 211.265 -1.056 20 0 BAADRO C[C@@]1(C(=O)N2CCNC(=O)C2)CC[NH2+]C1 ZINC000062889568 386633755 /nfs/dbraw/zinc/63/37/55/386633755.db2.gz OCLNMXHBNYXUSF-SNVBAGLBSA-N 1 0 211.265 -1.056 20 0 BAADRO C[C@]1(C(=O)NCCNS(C)(=O)=O)CC[NH2+]C1 ZINC000062890816 177454928 /nfs/dbraw/zinc/45/49/28/177454928.db2.gz UYSASIHZBWZYEH-VIFPVBQESA-N 1 0 249.336 -1.349 20 0 BAADRO C[C@@]1(C(=O)NCCNS(C)(=O)=O)CC[NH2+]C1 ZINC000062890817 386529357 /nfs/dbraw/zinc/52/93/57/386529357.db2.gz UYSASIHZBWZYEH-SECBINFHSA-N 1 0 249.336 -1.349 20 0 BAADRO Cn1nnnc1NCCN1CC[NH+](C)CC1 ZINC000062939016 346751890 /nfs/dbraw/zinc/75/18/90/346751890.db2.gz NXQVOGWRBLTQGL-UHFFFAOYSA-N 1 0 225.300 -1.131 20 0 BAADRO C[N@H+](CCNC(=O)Cn1cnnn1)C1CC1 ZINC000063117643 370134390 /nfs/dbraw/zinc/13/43/90/370134390.db2.gz WMFQKXPVYFSEGD-UHFFFAOYSA-N 1 0 224.268 -1.117 20 0 BAADRO C[C@H]([NH3+])CCNS(=O)(=O)N1CCOCC1 ZINC000063171034 384473812 /nfs/dbraw/zinc/47/38/12/384473812.db2.gz LOJJNCPMLOPETH-QMMMGPOBSA-N 1 0 237.325 -1.110 20 0 BAADRO COCC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178901 174041261 /nfs/dbraw/zinc/04/12/61/174041261.db2.gz KSXAWGZNHFSCFH-VIFPVBQESA-N 1 0 243.307 -1.054 20 0 BAADRO COCC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063178905 174041430 /nfs/dbraw/zinc/04/14/30/174041430.db2.gz KSXAWGZNHFSCFH-SECBINFHSA-N 1 0 243.307 -1.054 20 0 BAADRO CS(=O)(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179593 386541522 /nfs/dbraw/zinc/54/15/22/386541522.db2.gz KHKVAIYISKKWFU-QMMMGPOBSA-N 1 0 249.336 -1.267 20 0 BAADRO CS(=O)(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179596 386541738 /nfs/dbraw/zinc/54/17/38/386541738.db2.gz KHKVAIYISKKWFU-MRVPVSSYSA-N 1 0 249.336 -1.267 20 0 BAADRO COC(=O)CN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179657 349500654 /nfs/dbraw/zinc/50/06/54/349500654.db2.gz JCHCYGOEYDPXNC-VIFPVBQESA-N 1 0 243.307 -1.054 20 0 BAADRO COC(=O)CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179658 349500929 /nfs/dbraw/zinc/50/09/29/349500929.db2.gz JCHCYGOEYDPXNC-SECBINFHSA-N 1 0 243.307 -1.054 20 0 BAADRO CN(C)C(=O)C[N@H+](C)CCCC(=O)NC(N)=O ZINC000064431475 357844923 /nfs/dbraw/zinc/84/49/23/357844923.db2.gz YWTQXMHFZMIBQI-UHFFFAOYSA-N 1 0 244.295 -1.019 20 0 BAADRO NC(=O)NC(=O)C[N@H+](CCO)CC1CC1 ZINC000064516357 343758592 /nfs/dbraw/zinc/75/85/92/343758592.db2.gz ZLGFNCIOTIJYHI-UHFFFAOYSA-N 1 0 215.253 -1.114 20 0 BAADRO NC(=O)NC(=O)CCC[N@@H+]1CCNC(=O)CC1 ZINC000065954481 388707298 /nfs/dbraw/zinc/70/72/98/388707298.db2.gz CHNSATWWSIEHTQ-UHFFFAOYSA-N 1 0 242.279 -1.217 20 0 BAADRO C[N@H+](CCO)CCCN1C(=O)CNC1=O ZINC000066421686 387084018 /nfs/dbraw/zinc/08/40/18/387084018.db2.gz LDLKGBUHCLDBGG-UHFFFAOYSA-N 1 0 215.253 -1.148 20 0 BAADRO CC[N@H+](C)CCNC(=O)Cn1cnnn1 ZINC000066958708 361927174 /nfs/dbraw/zinc/92/71/74/361927174.db2.gz XMGXLSQTLSRFBK-UHFFFAOYSA-N 1 0 212.257 -1.259 20 0 BAADRO CCS(=O)(=O)NCCN(C)CCO ZINC000068808257 359028398 /nfs/dbraw/zinc/02/83/98/359028398.db2.gz NLEGSNFFXJJOHD-UHFFFAOYSA-N 1 0 210.299 -1.150 20 0 BAADRO CCOC[C@H](O)C[NH+](CCO)CCO ZINC000068950423 343254547 /nfs/dbraw/zinc/25/45/47/343254547.db2.gz DZFLSWBZHLUFQQ-SECBINFHSA-N 1 0 207.270 -1.330 20 0 BAADRO CCOC[C@@H](O)C[NH+](CCO)CCO ZINC000068950425 350312068 /nfs/dbraw/zinc/31/20/68/350312068.db2.gz DZFLSWBZHLUFQQ-VIFPVBQESA-N 1 0 207.270 -1.330 20 0 BAADRO CSCCCNC(=O)CNC(=O)C[NH3+] ZINC000069013993 343256850 /nfs/dbraw/zinc/25/68/50/343256850.db2.gz DHWMRTUEGJXMNW-UHFFFAOYSA-N 1 0 219.310 -1.069 20 0 BAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H](C)[NH2+]1 ZINC000069628731 177219026 /nfs/dbraw/zinc/21/90/26/177219026.db2.gz CCUXYTUYYZWAIZ-OCAPTIKFSA-N 1 0 224.268 -1.118 20 0 BAADRO C[C@H]1CN(C(=O)Cn2cnnn2)C[C@H](C)[NH2+]1 ZINC000069628733 177219064 /nfs/dbraw/zinc/21/90/64/177219064.db2.gz CCUXYTUYYZWAIZ-YUMQZZPRSA-N 1 0 224.268 -1.118 20 0 BAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H](C)[NH2+]1 ZINC000069628735 176249865 /nfs/dbraw/zinc/24/98/65/176249865.db2.gz CCUXYTUYYZWAIZ-HTQZYQBOSA-N 1 0 224.268 -1.118 20 0 BAADRO C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H](C)[NH2+]1 ZINC000069629093 343286911 /nfs/dbraw/zinc/28/69/11/343286911.db2.gz HJOBYFFIHUFZNR-KNVOCYPGSA-N 1 0 214.269 -1.137 20 0 BAADRO C[C@H]1CN(CC(=O)NC(N)=O)C[C@H](C)[NH2+]1 ZINC000069629095 349951851 /nfs/dbraw/zinc/95/18/51/349951851.db2.gz HJOBYFFIHUFZNR-BQBZGAKWSA-N 1 0 214.269 -1.137 20 0 BAADRO C[C@@H]1CN(CC(=O)NC(N)=O)C[C@@H](C)[NH2+]1 ZINC000069629097 349951820 /nfs/dbraw/zinc/95/18/20/349951820.db2.gz HJOBYFFIHUFZNR-RNFRBKRXSA-N 1 0 214.269 -1.137 20 0 BAADRO CS(=O)(=O)CC(=O)N1CC[C@@H]([NH3+])C1 ZINC000069715128 373645099 /nfs/dbraw/zinc/64/50/99/373645099.db2.gz LHEHWWDMKNTXFM-ZCFIWIBFSA-N 1 0 206.267 -1.409 20 0 BAADRO C[C@@H]1C[NH2+]CCN1C(=O)CS(C)(=O)=O ZINC000069715207 176325294 /nfs/dbraw/zinc/32/52/94/176325294.db2.gz BIVMFWDDKPDPAU-SSDOTTSWSA-N 1 0 220.294 -1.149 20 0 BAADRO C[C@H]1C[NH2+]CCN1C(=O)CS(C)(=O)=O ZINC000069715210 177283159 /nfs/dbraw/zinc/28/31/59/177283159.db2.gz BIVMFWDDKPDPAU-ZETCQYMHSA-N 1 0 220.294 -1.149 20 0 BAADRO C[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1[NH3+] ZINC000069719114 490182297 /nfs/dbraw/zinc/18/22/97/490182297.db2.gz HMMUAULEFLFRLJ-SFYZADRCSA-N 1 0 224.268 -1.131 20 0 BAADRO C[NH2+]CCN(C)S(=O)(=O)N1CCOCC1 ZINC000069802015 173353745 /nfs/dbraw/zinc/35/37/45/173353745.db2.gz IAMHQYRRTAVIGJ-UHFFFAOYSA-N 1 0 237.325 -1.285 20 0 BAADRO C[NH2+]CCN(C)CC(=O)N1CCOCC1 ZINC000069802316 642917351 /nfs/dbraw/zinc/91/73/51/642917351.db2.gz OSCNPYXEGYLHOQ-UHFFFAOYSA-N 1 0 215.297 -1.004 20 0 BAADRO C[C@H]([NH3+])CCC(=O)NCCNS(C)(=O)=O ZINC000069839215 383847904 /nfs/dbraw/zinc/84/79/04/383847904.db2.gz FKMNTFBPSHCAEB-ZETCQYMHSA-N 1 0 237.325 -1.221 20 0 BAADRO C[C@@H]([NH3+])CCC(=O)NCCNS(C)(=O)=O ZINC000069839216 343292372 /nfs/dbraw/zinc/29/23/72/343292372.db2.gz FKMNTFBPSHCAEB-SSDOTTSWSA-N 1 0 237.325 -1.221 20 0 BAADRO C[NH2+]CCNS(=O)(=O)c1c[nH]cn1 ZINC000069948524 173356876 /nfs/dbraw/zinc/35/68/76/173356876.db2.gz QUKSHWQWDDXLDU-UHFFFAOYSA-N 1 0 204.255 -1.093 20 0 BAADRO CC(C)[C@H]([NH3+])CNC(=O)Cn1cnnn1 ZINC000070009258 187257907 /nfs/dbraw/zinc/25/79/07/187257907.db2.gz RCFUHVDEOLXOIH-SSDOTTSWSA-N 1 0 212.257 -1.227 20 0 BAADRO CC(C)[C@@H]([NH3+])CNC(=O)Cn1cnnn1 ZINC000070009263 383859178 /nfs/dbraw/zinc/85/91/78/383859178.db2.gz RCFUHVDEOLXOIH-ZETCQYMHSA-N 1 0 212.257 -1.227 20 0 BAADRO CN1CC[C@H](N2CCO[C@H](C[NH3+])C2)C1=O ZINC000070582703 411317451 /nfs/dbraw/zinc/31/74/51/411317451.db2.gz MAGZHWHBMBGBQC-BDAKNGLRSA-N 1 0 213.281 -1.123 20 0 BAADRO CN1CC[C@@H](N2CCO[C@H](C[NH3+])C2)C1=O ZINC000070582704 411317725 /nfs/dbraw/zinc/31/77/25/411317725.db2.gz MAGZHWHBMBGBQC-RKDXNWHRSA-N 1 0 213.281 -1.123 20 0 BAADRO C[C@@]1(C(=O)NCCNS(C)(=O)=O)CCC[NH2+]1 ZINC000070618788 411440602 /nfs/dbraw/zinc/44/06/02/411440602.db2.gz VXQFLGLSERMZGQ-VIFPVBQESA-N 1 0 249.336 -1.206 20 0 BAADRO CC[C@@H](COC)NC(=O)CNC(=O)C[NH3+] ZINC000070626222 343336354 /nfs/dbraw/zinc/33/63/54/343336354.db2.gz GONUAYZILQTCFP-ZETCQYMHSA-N 1 0 217.269 -1.398 20 0 BAADRO CC[C@H](COC)NC(=O)CNC(=O)C[NH3+] ZINC000070626223 343336452 /nfs/dbraw/zinc/33/64/52/343336452.db2.gz GONUAYZILQTCFP-SSDOTTSWSA-N 1 0 217.269 -1.398 20 0 BAADRO CN(CC(=O)N(C)C)C[C@@H]1C[NH2+]CCO1 ZINC000070649573 490229972 /nfs/dbraw/zinc/22/99/72/490229972.db2.gz OUJQQIKTGOPYLL-VIFPVBQESA-N 1 0 215.297 -1.005 20 0 BAADRO CN(CC(=O)N(C)C)C[C@H]1C[NH2+]CCO1 ZINC000070649574 490230860 /nfs/dbraw/zinc/23/08/60/490230860.db2.gz OUJQQIKTGOPYLL-SECBINFHSA-N 1 0 215.297 -1.005 20 0 BAADRO C[C@@H]1C(=O)NCCN1C[C@@H]1C[NH2+]CCO1 ZINC000070649585 490230838 /nfs/dbraw/zinc/23/08/38/490230838.db2.gz YLZSKNOHJUNIEC-BDAKNGLRSA-N 1 0 213.281 -1.205 20 0 BAADRO C[C@H]1C(=O)NCCN1C[C@@H]1C[NH2+]CCO1 ZINC000070649586 490229789 /nfs/dbraw/zinc/22/97/89/490229789.db2.gz YLZSKNOHJUNIEC-IUCAKERBSA-N 1 0 213.281 -1.205 20 0 BAADRO [NH3+]C[C@H]1CCCN1S(=O)(=O)N1CCOCC1 ZINC000070650579 387072203 /nfs/dbraw/zinc/07/22/03/387072203.db2.gz APTKKHWYPQJLBO-SECBINFHSA-N 1 0 249.336 -1.014 20 0 BAADRO CS(=O)(=O)CC(=O)N1CCC[NH2+]CC1 ZINC000070651026 361695813 /nfs/dbraw/zinc/69/58/13/361695813.db2.gz XGHOCGFZTRFHRW-UHFFFAOYSA-N 1 0 220.294 -1.147 20 0 BAADRO C[C@@H](C[NH3+])N(C)S(=O)(=O)N1CCOCC1 ZINC000070662547 383955276 /nfs/dbraw/zinc/95/52/76/383955276.db2.gz MWZYGPOTFUEKNK-QMMMGPOBSA-N 1 0 237.325 -1.158 20 0 BAADRO C[C@H](C[NH3+])N(C)S(=O)(=O)N1CCOCC1 ZINC000070662548 383953543 /nfs/dbraw/zinc/95/35/43/383953543.db2.gz MWZYGPOTFUEKNK-MRVPVSSYSA-N 1 0 237.325 -1.158 20 0 BAADRO [NH3+]C[C@@H](NS(=O)(=O)N1CCOCC1)C1CC1 ZINC000070665631 387072486 /nfs/dbraw/zinc/07/24/86/387072486.db2.gz MJECJKZHHNNALE-SECBINFHSA-N 1 0 249.336 -1.110 20 0 BAADRO [NH3+]C[C@H](NS(=O)(=O)N1CCOCC1)C1CC1 ZINC000070665632 387072817 /nfs/dbraw/zinc/07/28/17/387072817.db2.gz MJECJKZHHNNALE-VIFPVBQESA-N 1 0 249.336 -1.110 20 0 BAADRO COC(=O)[C@](C)(O)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000070714122 383959483 /nfs/dbraw/zinc/95/94/83/383959483.db2.gz BFOYNTCMOJSMLX-GMSGAONNSA-N 1 0 230.264 -1.140 20 0 BAADRO COC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000070714123 383960550 /nfs/dbraw/zinc/96/05/50/383960550.db2.gz BFOYNTCMOJSMLX-XCBNKYQSSA-N 1 0 230.264 -1.140 20 0 BAADRO COC(=O)[C@](C)(O)C[NH+](CCO)CCO ZINC000070714332 135009676 /nfs/dbraw/zinc/00/96/76/135009676.db2.gz YOIHBGHDMZYGTC-SECBINFHSA-N 1 0 221.253 -1.803 20 0 BAADRO COC(=O)[C@@](C)(O)C[NH+](CCO)CCO ZINC000070714333 135009853 /nfs/dbraw/zinc/00/98/53/135009853.db2.gz YOIHBGHDMZYGTC-VIFPVBQESA-N 1 0 221.253 -1.803 20 0 BAADRO CC[N@H+](CC(=O)NC)C[C@](C)(O)C(=O)OC ZINC000070714452 643063234 /nfs/dbraw/zinc/06/32/34/643063234.db2.gz OTWZCQHGANLAEA-JTQLQIEISA-N 1 0 232.280 -1.022 20 0 BAADRO CC[N@H+](CC(=O)NC)C[C@@](C)(O)C(=O)OC ZINC000070714453 643062278 /nfs/dbraw/zinc/06/22/78/643062278.db2.gz OTWZCQHGANLAEA-SNVBAGLBSA-N 1 0 232.280 -1.022 20 0 BAADRO COC(=O)[C@](C)(O)C[N@@H+]1CC[C@H](O)C1 ZINC000070714658 388237551 /nfs/dbraw/zinc/23/75/51/388237551.db2.gz HJIQXJKVNSRZFQ-IONNQARKSA-N 1 0 203.238 -1.023 20 0 BAADRO COC(=O)[C@@](C)(O)C[N@@H+]1CC[C@H](O)C1 ZINC000070714659 388237469 /nfs/dbraw/zinc/23/74/69/388237469.db2.gz HJIQXJKVNSRZFQ-CBAPKCEASA-N 1 0 203.238 -1.023 20 0 BAADRO CNC(=O)NC(=O)CN1CC[C@@H](C[NH2+]C)C1 ZINC000070799723 173369413 /nfs/dbraw/zinc/36/94/13/173369413.db2.gz VGHCPGDRWUNTLZ-QMMMGPOBSA-N 1 0 228.296 -1.017 20 0 BAADRO COC(=O)CN(C)CCN1CC[NH2+]CC1 ZINC000070800532 343114727 /nfs/dbraw/zinc/11/47/27/343114727.db2.gz RRVFBLKAFLVTHX-UHFFFAOYSA-N 1 0 215.297 -1.004 20 0 BAADRO C[C@@H](C(N)=O)N(C)CCN1CC[NH2+]CC1 ZINC000070800540 409802397 /nfs/dbraw/zinc/80/23/97/409802397.db2.gz QYSHYQQPRNZASA-VIFPVBQESA-N 1 0 214.313 -1.303 20 0 BAADRO C[C@H](C(N)=O)N(C)CCN1CC[NH2+]CC1 ZINC000070800541 411183882 /nfs/dbraw/zinc/18/38/82/411183882.db2.gz QYSHYQQPRNZASA-SECBINFHSA-N 1 0 214.313 -1.303 20 0 BAADRO C[NH+](C)CCNC(=O)C1CN(S(C)(=O)=O)C1 ZINC000070817206 642440458 /nfs/dbraw/zinc/44/04/58/642440458.db2.gz IMKZDSHFZVKXRL-UHFFFAOYSA-N 1 0 249.336 -1.444 20 0 BAADRO CN(CCN1C(=O)CNC1=O)[C@@H]1CC[NH2+]C1 ZINC000070894765 387080418 /nfs/dbraw/zinc/08/04/18/387080418.db2.gz DYXSXURXCAEMOG-MRVPVSSYSA-N 1 0 226.280 -1.168 20 0 BAADRO CN(CCN1C(=O)CNC1=O)[C@H]1CC[NH2+]C1 ZINC000070894769 387081295 /nfs/dbraw/zinc/08/12/95/387081295.db2.gz DYXSXURXCAEMOG-QMMMGPOBSA-N 1 0 226.280 -1.168 20 0 BAADRO CN(CCC(=O)NC(N)=O)[C@@H]1CC[NH2+]C1 ZINC000070894821 383957776 /nfs/dbraw/zinc/95/77/76/383957776.db2.gz VQRUOOHTPHMTON-SSDOTTSWSA-N 1 0 214.269 -1.135 20 0 BAADRO CN(CCC(=O)NC(N)=O)[C@H]1CC[NH2+]C1 ZINC000070894828 383957593 /nfs/dbraw/zinc/95/75/93/383957593.db2.gz VQRUOOHTPHMTON-ZETCQYMHSA-N 1 0 214.269 -1.135 20 0 BAADRO CNC(=O)NC(=O)CN(C)[C@@H]1CC[NH2+]C1 ZINC000070895052 173286650 /nfs/dbraw/zinc/28/66/50/173286650.db2.gz FFBRLZHHHMSDFJ-SSDOTTSWSA-N 1 0 214.269 -1.264 20 0 BAADRO CNC(=O)NC(=O)CN(C)[C@H]1CC[NH2+]C1 ZINC000070895056 173286127 /nfs/dbraw/zinc/28/61/27/173286127.db2.gz FFBRLZHHHMSDFJ-ZETCQYMHSA-N 1 0 214.269 -1.264 20 0 BAADRO CN(CC(=O)NC(N)=O)[C@@H]1CC[NH2+]C1 ZINC000070895365 350070913 /nfs/dbraw/zinc/07/09/13/350070913.db2.gz MREMAGFJMLNDEP-ZCFIWIBFSA-N 1 0 200.242 -1.525 20 0 BAADRO CN(CC(=O)NC(N)=O)[C@H]1CC[NH2+]C1 ZINC000070895369 350071222 /nfs/dbraw/zinc/07/12/22/350071222.db2.gz MREMAGFJMLNDEP-LURJTMIESA-N 1 0 200.242 -1.525 20 0 BAADRO CCN(CC(=O)NC(N)=O)[C@@H]1CC[NH2+]C1 ZINC000070899866 643082350 /nfs/dbraw/zinc/08/23/50/643082350.db2.gz YFQGKOSWQFUTPH-SSDOTTSWSA-N 1 0 214.269 -1.135 20 0 BAADRO CCN(CC(=O)NC(N)=O)[C@H]1CC[NH2+]C1 ZINC000070899870 643080866 /nfs/dbraw/zinc/08/08/66/643080866.db2.gz YFQGKOSWQFUTPH-ZETCQYMHSA-N 1 0 214.269 -1.135 20 0 BAADRO O=S(=O)(NCCN1CC[NH2+]CC1)C1CC1 ZINC000070907431 182896918 /nfs/dbraw/zinc/89/69/18/182896918.db2.gz BYFHWEFFLOJAFI-UHFFFAOYSA-N 1 0 233.337 -1.027 20 0 BAADRO O=C(CNS(=O)(=O)C1CC1)N1CC[NH2+]CC1 ZINC000070910076 350075591 /nfs/dbraw/zinc/07/55/91/350075591.db2.gz AXGURAXQLRBARW-UHFFFAOYSA-N 1 0 247.320 -1.500 20 0 BAADRO Cn1nnnc1N1CCC[N@H+](CCO)CC1 ZINC000070913709 343957337 /nfs/dbraw/zinc/95/73/37/343957337.db2.gz ISOOMLBMSHPXAE-UHFFFAOYSA-N 1 0 226.284 -1.286 20 0 BAADRO CC[N@H+](CCO)CC(=O)NCCC(=O)OC ZINC000070943267 359066842 /nfs/dbraw/zinc/06/68/42/359066842.db2.gz HZAIYIBEZPSRKL-UHFFFAOYSA-N 1 0 232.280 -1.020 20 0 BAADRO O=C1CNC(=O)N1CCN1CCOCC1 ZINC000071063445 388264740 /nfs/dbraw/zinc/26/47/40/388264740.db2.gz PKFDDFXBXIOGSV-UHFFFAOYSA-N 1 0 213.237 -1.130 20 0 BAADRO CC(=O)NCC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000071149778 411335570 /nfs/dbraw/zinc/33/55/70/411335570.db2.gz ALEUTOZEOZGCSO-UHFFFAOYSA-N 1 0 242.323 -1.514 20 0 BAADRO Cn1nccc1CNC(=O)CN1CC[NH2+]CC1 ZINC000071334870 409867457 /nfs/dbraw/zinc/86/74/57/409867457.db2.gz LUMKOEIZCBHDEX-UHFFFAOYSA-N 1 0 237.307 -1.059 20 0 BAADRO CNC(=O)CN1CCC[C@H](NS(C)(=O)=O)C1 ZINC000072079716 344489388 /nfs/dbraw/zinc/48/93/88/344489388.db2.gz KLGSLDLFZLNQSS-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO CNC(=O)CN1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000072079717 344489341 /nfs/dbraw/zinc/48/93/41/344489341.db2.gz KLGSLDLFZLNQSS-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO CN1CC(=O)N(CC(=O)NCC[NH+](C)C)C1=O ZINC000072777263 385938188 /nfs/dbraw/zinc/93/81/88/385938188.db2.gz MZYYUIPJMVHQOI-UHFFFAOYSA-N 1 0 242.279 -1.442 20 0 BAADRO CCC[N@H+](CCO)CC(=O)N1CCNC(=O)C1 ZINC000072960220 490413442 /nfs/dbraw/zinc/41/34/42/490413442.db2.gz LQLIZUXZZVIRHG-UHFFFAOYSA-N 1 0 243.307 -1.351 20 0 BAADRO NC(=O)NC(=O)CC[N@@H+]1CCCC[C@H]1C(N)=O ZINC000073150810 181252838 /nfs/dbraw/zinc/25/28/38/181252838.db2.gz XRFXTPUAXRLVOB-ZETCQYMHSA-N 1 0 242.279 -1.089 20 0 BAADRO NC(=O)NC(=O)CC[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000073150812 181253060 /nfs/dbraw/zinc/25/30/60/181253060.db2.gz XRFXTPUAXRLVOB-SSDOTTSWSA-N 1 0 242.279 -1.089 20 0 BAADRO C[NH+](C)CCNC(=O)CCNS(C)(=O)=O ZINC000073805254 325213225 /nfs/dbraw/zinc/21/32/25/325213225.db2.gz ULBYNCNEKPZUQL-UHFFFAOYSA-N 1 0 237.325 -1.397 20 0 BAADRO C[C@@H](CC[NH+](C)C)NC(=O)NC(CO)CO ZINC000073906349 368821492 /nfs/dbraw/zinc/82/14/92/368821492.db2.gz KZBYAAJVMZCOBU-QMMMGPOBSA-N 1 0 233.312 -1.021 20 0 BAADRO C[C@H](CC[NH+](C)C)NC(=O)NC(CO)CO ZINC000073906353 368821866 /nfs/dbraw/zinc/82/18/66/368821866.db2.gz KZBYAAJVMZCOBU-MRVPVSSYSA-N 1 0 233.312 -1.021 20 0 BAADRO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](O)C1 ZINC000074325383 536326417 /nfs/dbraw/zinc/32/64/17/536326417.db2.gz VXAJSKMZEFPQAJ-NKWVEPMBSA-N 1 0 215.253 -1.103 20 0 BAADRO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](O)C1 ZINC000074325388 135390506 /nfs/dbraw/zinc/39/05/06/135390506.db2.gz VXAJSKMZEFPQAJ-RNFRBKRXSA-N 1 0 215.253 -1.103 20 0 BAADRO C[NH+](C)CCNC(=O)CN1CCOCC1 ZINC000074693516 356663222 /nfs/dbraw/zinc/66/32/22/356663222.db2.gz YQQQKUYFAVHQIM-UHFFFAOYSA-N 1 0 215.297 -1.004 20 0 BAADRO C[NH+](C)CCNC(=O)[C@@H]1CSCC(=O)N1 ZINC000074716299 642480760 /nfs/dbraw/zinc/48/07/60/642480760.db2.gz UPVICTDFXCUSEN-ZETCQYMHSA-N 1 0 231.321 -1.104 20 0 BAADRO C[NH+](C)CCNS(=O)(=O)N1CCOCC1 ZINC000074753065 384035786 /nfs/dbraw/zinc/03/57/86/384035786.db2.gz WTVDMECYUDKQSS-UHFFFAOYSA-N 1 0 237.325 -1.285 20 0 BAADRO C[NH+](C)CCn1nnnc1SCC(N)=O ZINC000075321903 344770163 /nfs/dbraw/zinc/77/01/63/344770163.db2.gz GKGQDPFGSFKKOI-UHFFFAOYSA-N 1 0 230.297 -1.188 20 0 BAADRO CC[C@@H](O)CN1CCO[C@H](C(N)=O)C1 ZINC000075676803 344783738 /nfs/dbraw/zinc/78/37/38/344783738.db2.gz LBADCEWCJBRPAS-SFYZADRCSA-N 1 0 202.254 -1.057 20 0 BAADRO CC[C@@H](O)CN1CCO[C@@H](C(N)=O)C1 ZINC000075676805 344783786 /nfs/dbraw/zinc/78/37/86/344783786.db2.gz LBADCEWCJBRPAS-HTQZYQBOSA-N 1 0 202.254 -1.057 20 0 BAADRO O=C1CCCN1CC[NH+](CCO)CCO ZINC000075714116 353325144 /nfs/dbraw/zinc/32/51/44/353325144.db2.gz ILJWNOJYJBUKJR-UHFFFAOYSA-N 1 0 216.281 -1.105 20 0 BAADRO O=C1OCCN1CC[NH+](CCO)CCO ZINC000075714117 643695181 /nfs/dbraw/zinc/69/51/81/643695181.db2.gz YWCCUSFDNGHQSG-UHFFFAOYSA-N 1 0 218.253 -1.275 20 0 BAADRO O=C(CC[NH+](CCO)CCO)N1CCOCC1 ZINC000075714169 325307249 /nfs/dbraw/zinc/30/72/49/325307249.db2.gz MSYWQCOHJBOJFQ-UHFFFAOYSA-N 1 0 246.307 -1.478 20 0 BAADRO C[C@H](O)CC[N@H+](C)CC(=O)NC(N)=O ZINC000075780316 384040880 /nfs/dbraw/zinc/04/08/80/384040880.db2.gz CEXRGQJEEWQVCC-LURJTMIESA-N 1 0 203.242 -1.116 20 0 BAADRO C[C@@H](O)CC[N@H+](C)CC(=O)NC(N)=O ZINC000075780321 384041797 /nfs/dbraw/zinc/04/17/97/384041797.db2.gz CEXRGQJEEWQVCC-ZCFIWIBFSA-N 1 0 203.242 -1.116 20 0 BAADRO C[C@H](O)CC[N@H+](C)CCS(N)(=O)=O ZINC000075782336 641770908 /nfs/dbraw/zinc/77/09/08/641770908.db2.gz MNVMPYYGCVXHFQ-ZETCQYMHSA-N 1 0 210.299 -1.022 20 0 BAADRO C[C@@H](O)CC[N@H+](C)CCS(N)(=O)=O ZINC000075782339 641770440 /nfs/dbraw/zinc/77/04/40/641770440.db2.gz MNVMPYYGCVXHFQ-SSDOTTSWSA-N 1 0 210.299 -1.022 20 0 BAADRO NS(=O)(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000076871823 344807958 /nfs/dbraw/zinc/80/79/58/344807958.db2.gz VWMVZRUJZLYLJG-VIFPVBQESA-N 1 0 249.336 -1.156 20 0 BAADRO NS(=O)(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000076871824 344807627 /nfs/dbraw/zinc/80/76/27/344807627.db2.gz VWMVZRUJZLYLJG-SECBINFHSA-N 1 0 249.336 -1.156 20 0 BAADRO CCC[N@H+](CCO)CCS(N)(=O)=O ZINC000077264937 642358893 /nfs/dbraw/zinc/35/88/93/642358893.db2.gz QZURUWRLPUCZNZ-UHFFFAOYSA-N 1 0 210.299 -1.021 20 0 BAADRO NS(=O)(=O)CC[N@@H+]1CCC[C@@H]1CO ZINC000077271625 642358295 /nfs/dbraw/zinc/35/82/95/642358295.db2.gz OBBCODQXRMAWFB-SSDOTTSWSA-N 1 0 208.283 -1.268 20 0 BAADRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCS(N)(=O)=O ZINC000077281421 711464458 /nfs/dbraw/zinc/46/44/58/711464458.db2.gz BFHSCFJEOALEBT-SFYZADRCSA-N 1 0 249.336 -1.139 20 0 BAADRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCS(N)(=O)=O ZINC000077281423 641844006 /nfs/dbraw/zinc/84/40/06/641844006.db2.gz BFHSCFJEOALEBT-YUMQZZPRSA-N 1 0 249.336 -1.139 20 0 BAADRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCS(N)(=O)=O ZINC000077281429 641844043 /nfs/dbraw/zinc/84/40/43/641844043.db2.gz BFHSCFJEOALEBT-HTQZYQBOSA-N 1 0 249.336 -1.139 20 0 BAADRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCS(N)(=O)=O ZINC000077281431 641844787 /nfs/dbraw/zinc/84/47/87/641844787.db2.gz BFHSCFJEOALEBT-JGVFFNPUSA-N 1 0 249.336 -1.139 20 0 BAADRO O=C(CN1CCOCC1)N[C@@H]1CC[NH2+]C1 ZINC000077305789 488163027 /nfs/dbraw/zinc/16/30/27/488163027.db2.gz BBEQTLBKIIHBQH-SECBINFHSA-N 1 0 213.281 -1.203 20 0 BAADRO O=C(CN1CCOCC1)N[C@H]1CC[NH2+]C1 ZINC000077305792 488162983 /nfs/dbraw/zinc/16/29/83/488162983.db2.gz BBEQTLBKIIHBQH-VIFPVBQESA-N 1 0 213.281 -1.203 20 0 BAADRO C[NH2+]CC(=O)N(C)CCN1CCOCC1 ZINC000077307425 173323640 /nfs/dbraw/zinc/32/36/40/173323640.db2.gz DQEOQAXHJVSITD-UHFFFAOYSA-N 1 0 215.297 -1.004 20 0 BAADRO C[N@H+](CCS(N)(=O)=O)CC(C)(C)O ZINC000077316245 643476754 /nfs/dbraw/zinc/47/67/54/643476754.db2.gz QIVHUBKWWFQDNU-UHFFFAOYSA-N 1 0 210.299 -1.022 20 0 BAADRO NS(=O)(=O)CC[N@@H+]1CCC[C@H]1CO ZINC000077317819 642370073 /nfs/dbraw/zinc/37/00/73/642370073.db2.gz OBBCODQXRMAWFB-ZETCQYMHSA-N 1 0 208.283 -1.268 20 0 BAADRO CN(CCN1CCOCC1)C[C@H](O)C[NH3+] ZINC000077325231 386290264 /nfs/dbraw/zinc/29/02/64/386290264.db2.gz PCTSQPOOJRPTBF-SNVBAGLBSA-N 1 0 217.313 -1.430 20 0 BAADRO CN(CCN1CCOCC1)C[C@@H](O)C[NH3+] ZINC000077325232 386289523 /nfs/dbraw/zinc/28/95/23/386289523.db2.gz PCTSQPOOJRPTBF-JTQLQIEISA-N 1 0 217.313 -1.430 20 0 BAADRO CNC(=O)CN(C)C[C@H](O)CN1CCOCC1 ZINC000078302892 384440987 /nfs/dbraw/zinc/44/09/87/384440987.db2.gz XEQHRYWNZRFOEC-JTQLQIEISA-N 1 0 245.323 -1.643 20 0 BAADRO C[N@H+](CCO)C[C@H](O)CN1CCOCC1 ZINC000078434428 536392029 /nfs/dbraw/zinc/39/20/29/536392029.db2.gz DSCKHTKLNPKZIQ-JTQLQIEISA-N 1 0 218.297 -1.396 20 0 BAADRO C[N@H+](CCO)C[C@@H](O)CN1CCOCC1 ZINC000078434432 135394345 /nfs/dbraw/zinc/39/43/45/135394345.db2.gz DSCKHTKLNPKZIQ-SNVBAGLBSA-N 1 0 218.297 -1.396 20 0 BAADRO CC[N@H+](CCO)CCC(=O)NCC(=O)OC ZINC000078640642 135131302 /nfs/dbraw/zinc/13/13/02/135131302.db2.gz CKQCTEOSWHEFFM-UHFFFAOYSA-N 1 0 232.280 -1.020 20 0 BAADRO C[N@H+](CC(=O)NC(N)=O)CC(C)(C)O ZINC000078727870 384078628 /nfs/dbraw/zinc/07/86/28/384078628.db2.gz USRHRPIYLOAFGD-UHFFFAOYSA-N 1 0 203.242 -1.116 20 0 BAADRO C[N@H+](CCS(N)(=O)=O)C[C@H](O)C1CC1 ZINC000079767739 644209261 /nfs/dbraw/zinc/20/92/61/644209261.db2.gz FTILGFCQWCSDAY-QMMMGPOBSA-N 1 0 222.310 -1.022 20 0 BAADRO C[N@H+](CCS(N)(=O)=O)C[C@@H](O)C1CC1 ZINC000079767742 644210277 /nfs/dbraw/zinc/21/02/77/644210277.db2.gz FTILGFCQWCSDAY-MRVPVSSYSA-N 1 0 222.310 -1.022 20 0 BAADRO C[N@@H+](CC(=O)NC(N)=O)C[C@H](O)C1CC1 ZINC000079770466 370691418 /nfs/dbraw/zinc/69/14/18/370691418.db2.gz NCGXGHNRDPAAOC-ZETCQYMHSA-N 1 0 215.253 -1.116 20 0 BAADRO C[N@@H+](CC(=O)NC(N)=O)C[C@@H](O)C1CC1 ZINC000079770468 370692179 /nfs/dbraw/zinc/69/21/79/370692179.db2.gz NCGXGHNRDPAAOC-SSDOTTSWSA-N 1 0 215.253 -1.116 20 0 BAADRO CC[C@@H](COC)NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000079771703 135356039 /nfs/dbraw/zinc/35/60/39/135356039.db2.gz CJFPSVZETLTGRG-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO CC[C@H](COC)NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000079771706 135356705 /nfs/dbraw/zinc/35/67/05/135356705.db2.gz CJFPSVZETLTGRG-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO CC(=O)N[C@@H]1CCCN(CC(=O)NC(N)=O)C1 ZINC000079885474 345049082 /nfs/dbraw/zinc/04/90/82/345049082.db2.gz OKYZFFIYDVSMNZ-MRVPVSSYSA-N 1 0 242.279 -1.218 20 0 BAADRO CC(=O)N[C@H]1CCCN(CC(=O)NC(N)=O)C1 ZINC000079885479 345048863 /nfs/dbraw/zinc/04/88/63/345048863.db2.gz OKYZFFIYDVSMNZ-QMMMGPOBSA-N 1 0 242.279 -1.218 20 0 BAADRO C[C@@H](NC(=O)[C@@H]1CN(C)CCO1)C(=O)N(C)C ZINC000081396410 344142614 /nfs/dbraw/zinc/14/26/14/344142614.db2.gz ZDJVGNBBPZQLIA-BDAKNGLRSA-N 1 0 243.307 -1.090 20 0 BAADRO CCOC(=O)CCCNC(=O)CNC(=O)C[NH3+] ZINC000081524375 135387242 /nfs/dbraw/zinc/38/72/42/135387242.db2.gz UYNPWBBSINXJLN-UHFFFAOYSA-N 1 0 245.279 -1.479 20 0 BAADRO CNC(=O)[C@@H](C)C[N@H+](C)CCC(=O)NC(N)=O ZINC000081553673 173293884 /nfs/dbraw/zinc/29/38/84/173293884.db2.gz CMPMYQKLWAGTHL-ZETCQYMHSA-N 1 0 244.295 -1.115 20 0 BAADRO CNC(=O)[C@H](C)C[N@H+](C)CCC(=O)NC(N)=O ZINC000081553675 173301353 /nfs/dbraw/zinc/30/13/53/173301353.db2.gz CMPMYQKLWAGTHL-SSDOTTSWSA-N 1 0 244.295 -1.115 20 0 BAADRO CNC(=O)NC(=O)C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000081607016 173287821 /nfs/dbraw/zinc/28/78/21/173287821.db2.gz RERJHVGWARJURY-SSDOTTSWSA-N 1 0 244.295 -1.068 20 0 BAADRO COCC[NH2+]CC(=O)NCCC(=O)OC ZINC000082239102 384216357 /nfs/dbraw/zinc/21/63/57/384216357.db2.gz YQUQVHSBQLOCDN-UHFFFAOYSA-N 1 0 218.253 -1.098 20 0 BAADRO CCCNC(=O)CNC(=O)C[NH2+]CCOC ZINC000082239109 388017946 /nfs/dbraw/zinc/01/79/46/388017946.db2.gz UHWZGTMOVWGJCG-UHFFFAOYSA-N 1 0 231.296 -1.135 20 0 BAADRO COCC[NH2+]CC(=O)NCC(=O)NC(C)C ZINC000082239115 388017527 /nfs/dbraw/zinc/01/75/27/388017527.db2.gz NPZILMXNXAUFRA-UHFFFAOYSA-N 1 0 231.296 -1.137 20 0 BAADRO CCNC(=O)[C@@H](C)NC(=O)C[NH2+]CCOC ZINC000082239119 388017513 /nfs/dbraw/zinc/01/75/13/388017513.db2.gz FGGNULKOZKWPHS-MRVPVSSYSA-N 1 0 231.296 -1.137 20 0 BAADRO CCNC(=O)[C@H](C)NC(=O)C[NH2+]CCOC ZINC000082239121 535395253 /nfs/dbraw/zinc/39/52/53/535395253.db2.gz FGGNULKOZKWPHS-QMMMGPOBSA-N 1 0 231.296 -1.137 20 0 BAADRO CCOC(=O)C(NC(=O)[C@@H](C)[NH3+])C(=O)OCC ZINC000082255927 170188805 /nfs/dbraw/zinc/18/88/05/170188805.db2.gz LUHRPXODTSCUES-ZCFIWIBFSA-N 1 0 246.263 -1.055 20 0 BAADRO CCOC(=O)C(NC(=O)[C@H](C)[NH3+])C(=O)OCC ZINC000082255928 170188844 /nfs/dbraw/zinc/18/88/44/170188844.db2.gz LUHRPXODTSCUES-LURJTMIESA-N 1 0 246.263 -1.055 20 0 BAADRO CCOC(=O)C(NC(=O)CC[NH3+])C(=O)OCC ZINC000082256209 170189149 /nfs/dbraw/zinc/18/91/49/170189149.db2.gz XUEXYTRRQNSRBF-UHFFFAOYSA-N 1 0 246.263 -1.054 20 0 BAADRO CCOC(=O)C(NC(=O)C[NH2+]C)C(=O)OCC ZINC000082256400 170189161 /nfs/dbraw/zinc/18/91/61/170189161.db2.gz IEGDCSOKNRAFQJ-UHFFFAOYSA-N 1 0 246.263 -1.183 20 0 BAADRO COCC[NH2+]CC(=O)NCC(=O)OC ZINC000082285082 384220294 /nfs/dbraw/zinc/22/02/94/384220294.db2.gz ALUMTKGFQQKCMN-UHFFFAOYSA-N 1 0 204.226 -1.488 20 0 BAADRO COCC[NH2+]CC(=O)N(CC(N)=O)C(C)C ZINC000082285093 388023990 /nfs/dbraw/zinc/02/39/90/388023990.db2.gz HMBXXSVFTPVNGN-UHFFFAOYSA-N 1 0 231.296 -1.055 20 0 BAADRO COCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000082285094 384220701 /nfs/dbraw/zinc/22/07/01/384220701.db2.gz NSXWAEPJVSIRJM-UHFFFAOYSA-N 1 0 215.253 -1.819 20 0 BAADRO COCC[NH2+]CC(=O)N[C@@H](C)C(=O)OC ZINC000082285133 384223215 /nfs/dbraw/zinc/22/32/15/384223215.db2.gz LVBONXUIQIFLDR-ZETCQYMHSA-N 1 0 218.253 -1.100 20 0 BAADRO COCC[NH2+]CC(=O)N[C@H](C)C(=O)OC ZINC000082285134 384222047 /nfs/dbraw/zinc/22/20/47/384222047.db2.gz LVBONXUIQIFLDR-SSDOTTSWSA-N 1 0 218.253 -1.100 20 0 BAADRO COCC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000082419929 487692348 /nfs/dbraw/zinc/69/23/48/487692348.db2.gz SJRAOIXBMDNERP-UHFFFAOYSA-N 1 0 215.297 -1.004 20 0 BAADRO C[C@@H]1C(=O)NCCN1CCN1CC[NH2+]CC1 ZINC000082475526 362025103 /nfs/dbraw/zinc/02/51/03/362025103.db2.gz FHPQSGIFRNSNFO-SNVBAGLBSA-N 1 0 226.324 -1.288 20 0 BAADRO C[C@H]1C(=O)NCCN1CCN1CC[NH2+]CC1 ZINC000082475527 362025012 /nfs/dbraw/zinc/02/50/12/362025012.db2.gz FHPQSGIFRNSNFO-JTQLQIEISA-N 1 0 226.324 -1.288 20 0 BAADRO C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000082475936 347617395 /nfs/dbraw/zinc/61/73/95/347617395.db2.gz MNAPYZCRVVKFGT-SFYZADRCSA-N 1 0 227.264 -1.678 20 0 BAADRO C[C@H]1C(=O)NCCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000082475937 347617387 /nfs/dbraw/zinc/61/73/87/347617387.db2.gz MNAPYZCRVVKFGT-YUMQZZPRSA-N 1 0 227.264 -1.678 20 0 BAADRO C[C@@H]1C(=O)NCCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000082475938 347617315 /nfs/dbraw/zinc/61/73/15/347617315.db2.gz MNAPYZCRVVKFGT-HTQZYQBOSA-N 1 0 227.264 -1.678 20 0 BAADRO C[C@H]1C(=O)NCCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000082475939 347617589 /nfs/dbraw/zinc/61/75/89/347617589.db2.gz MNAPYZCRVVKFGT-JGVFFNPUSA-N 1 0 227.264 -1.678 20 0 BAADRO O=C(Cn1cnnn1)NCC[C@@H]1CC[NH2+]C1 ZINC000082487112 388035817 /nfs/dbraw/zinc/03/58/17/388035817.db2.gz QEXNHOOKLFIDKY-QMMMGPOBSA-N 1 0 224.268 -1.211 20 0 BAADRO O=C(Cn1cnnn1)NCC[C@H]1CC[NH2+]C1 ZINC000082487114 135438197 /nfs/dbraw/zinc/43/81/97/135438197.db2.gz QEXNHOOKLFIDKY-MRVPVSSYSA-N 1 0 224.268 -1.211 20 0 BAADRO CCOCCN(CC)C(=O)CNC(=O)C[NH3+] ZINC000082538478 535577980 /nfs/dbraw/zinc/57/79/80/535577980.db2.gz NJVOZYITRQCWIL-UHFFFAOYSA-N 1 0 231.296 -1.054 20 0 BAADRO CN(CC[NH+](C)C)C(=O)Cn1cnc(N)n1 ZINC000082539563 487669360 /nfs/dbraw/zinc/66/93/60/487669360.db2.gz ITTWTFVFEZSHII-UHFFFAOYSA-N 1 0 226.284 -1.120 20 0 BAADRO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCNC(=O)C1 ZINC000082558905 343448260 /nfs/dbraw/zinc/44/82/60/343448260.db2.gz BIYRUKALMXKBQR-HTQZYQBOSA-N 1 0 211.265 -1.200 20 0 BAADRO C[C@H]([NH3+])CNS(=O)(=O)N1CCOCC1 ZINC000082574713 487678332 /nfs/dbraw/zinc/67/83/32/487678332.db2.gz PFIAXGKJJACRAH-ZETCQYMHSA-N 1 0 223.298 -1.500 20 0 BAADRO C[C@@H]([NH3+])CNS(=O)(=O)N1CCOCC1 ZINC000082574716 487678392 /nfs/dbraw/zinc/67/83/92/487678392.db2.gz PFIAXGKJJACRAH-SSDOTTSWSA-N 1 0 223.298 -1.500 20 0 BAADRO CC[C@H]([NH3+])CNS(=O)(=O)N1CCOCC1 ZINC000082579112 343451785 /nfs/dbraw/zinc/45/17/85/343451785.db2.gz GVJRMHJPKHNHFY-QMMMGPOBSA-N 1 0 237.325 -1.110 20 0 BAADRO CC[C@@H]([NH3+])CNS(=O)(=O)N1CCOCC1 ZINC000082579115 343451999 /nfs/dbraw/zinc/45/19/99/343451999.db2.gz GVJRMHJPKHNHFY-MRVPVSSYSA-N 1 0 237.325 -1.110 20 0 BAADRO C[C@H]([NH3+])CN(C)S(=O)(=O)N1CCOCC1 ZINC000082591499 643351988 /nfs/dbraw/zinc/35/19/88/643351988.db2.gz SEWOROTWCDWLDI-QMMMGPOBSA-N 1 0 237.325 -1.158 20 0 BAADRO C[C@@H]([NH3+])CN(C)S(=O)(=O)N1CCOCC1 ZINC000082591500 643512719 /nfs/dbraw/zinc/51/27/19/643512719.db2.gz SEWOROTWCDWLDI-MRVPVSSYSA-N 1 0 237.325 -1.158 20 0 BAADRO [NH3+][C@H](CNS(=O)(=O)N1CCOCC1)C1CC1 ZINC000082591752 347939797 /nfs/dbraw/zinc/93/97/97/347939797.db2.gz LNSPWAVEUUMKIJ-SECBINFHSA-N 1 0 249.336 -1.110 20 0 BAADRO [NH3+][C@@H](CNS(=O)(=O)N1CCOCC1)C1CC1 ZINC000082591753 347939853 /nfs/dbraw/zinc/93/98/53/347939853.db2.gz LNSPWAVEUUMKIJ-VIFPVBQESA-N 1 0 249.336 -1.110 20 0 BAADRO C[C@H]([NH3+])CN(C)[C@@H](C)C(=O)NC(N)=O ZINC000082595069 643513956 /nfs/dbraw/zinc/51/39/56/643513956.db2.gz JRKPBWMDWPICPK-WDSKDSINSA-N 1 0 202.258 -1.151 20 0 BAADRO C[C@@H]([NH3+])CN(C)[C@@H](C)C(=O)NC(N)=O ZINC000082595071 643351928 /nfs/dbraw/zinc/35/19/28/643351928.db2.gz JRKPBWMDWPICPK-RITPCOANSA-N 1 0 202.258 -1.151 20 0 BAADRO CN1C[C@H](C(=O)N2CC[NH2+]CC2)CC1=O ZINC000082641617 173191316 /nfs/dbraw/zinc/19/13/16/173191316.db2.gz UIFQMXOTZKAGHS-MRVPVSSYSA-N 1 0 211.265 -1.104 20 0 BAADRO CN1C[C@@H](C(=O)N2CC[NH2+]CC2)CC1=O ZINC000082641618 173181232 /nfs/dbraw/zinc/18/12/32/173181232.db2.gz UIFQMXOTZKAGHS-QMMMGPOBSA-N 1 0 211.265 -1.104 20 0 BAADRO CNC(=O)C1(C(=O)N2CC[NH2+]CC2)CC1 ZINC000082641629 173220896 /nfs/dbraw/zinc/22/08/96/173220896.db2.gz PPWHIPXUWMPDSL-UHFFFAOYSA-N 1 0 211.265 -1.056 20 0 BAADRO CNC(=O)NC(=O)CN1CCC[C@@H]1C[NH3+] ZINC000082642516 173286835 /nfs/dbraw/zinc/28/68/35/173286835.db2.gz GQHPQNJIIFQKCR-SSDOTTSWSA-N 1 0 214.269 -1.135 20 0 BAADRO CN(C)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000082642549 172378750 /nfs/dbraw/zinc/37/87/50/172378750.db2.gz WTJNCCPZYKQIHO-UHFFFAOYSA-N 1 0 214.269 -1.311 20 0 BAADRO C[C@@H](C(=O)N1CC[NH2+]CC1)S(C)(=O)=O ZINC000082643130 175605604 /nfs/dbraw/zinc/60/56/04/175605604.db2.gz LWFHYWWXGJLTCK-ZETCQYMHSA-N 1 0 220.294 -1.149 20 0 BAADRO C[C@H]([NH3+])C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000082650005 487707059 /nfs/dbraw/zinc/70/70/59/487707059.db2.gz OHACTJOVOLLEIL-LURJTMIESA-N 1 0 237.325 -1.222 20 0 BAADRO C[C@@H]([NH3+])C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000082650006 487706732 /nfs/dbraw/zinc/70/67/32/487706732.db2.gz OHACTJOVOLLEIL-ZCFIWIBFSA-N 1 0 237.325 -1.222 20 0 BAADRO CC(C)(CNC(=O)CC[NH3+])NS(C)(=O)=O ZINC000082650032 487707378 /nfs/dbraw/zinc/70/73/78/487707378.db2.gz JYFOVIPCADJQCP-UHFFFAOYSA-N 1 0 237.325 -1.221 20 0 BAADRO CC(C)(C[NH2+]CCC(N)=O)NS(C)(=O)=O ZINC000082651293 487707477 /nfs/dbraw/zinc/70/74/77/487707477.db2.gz YIFKKRGKNFDJPX-UHFFFAOYSA-N 1 0 237.325 -1.221 20 0 BAADRO CNS(=O)(=O)CC(=O)N1CC[NH2+]CC1 ZINC000082651854 384249934 /nfs/dbraw/zinc/24/99/34/384249934.db2.gz CIOZHYRLZSCJIO-UHFFFAOYSA-N 1 0 221.282 -2.033 20 0 BAADRO O=C([C@@H]1CSCC(=O)N1)N1CC[NH2+]CC1 ZINC000082652808 643363876 /nfs/dbraw/zinc/36/38/76/643363876.db2.gz LSDMROBABYEARZ-ZETCQYMHSA-N 1 0 229.305 -1.350 20 0 BAADRO O=C(CN1CSCC1=O)N1CC[NH2+]CC1 ZINC000082652810 384249264 /nfs/dbraw/zinc/24/92/64/384249264.db2.gz XRAWTKKPFJRQAX-UHFFFAOYSA-N 1 0 229.305 -1.049 20 0 BAADRO CN(C)S(=O)(=O)CC(=O)N1CC[NH2+]CC1 ZINC000082653455 388587947 /nfs/dbraw/zinc/58/79/47/388587947.db2.gz QWGHVDXSWSIJHZ-UHFFFAOYSA-N 1 0 235.309 -1.690 20 0 BAADRO Cn1cc(CN2CC[NH2+]CC2)c(=O)n(C)c1=O ZINC000082654023 384701992 /nfs/dbraw/zinc/70/19/92/384701992.db2.gz POBUYPWPRRMHRZ-UHFFFAOYSA-N 1 0 238.291 -1.511 20 0 BAADRO CC(=O)N1CCO[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000082654651 643363563 /nfs/dbraw/zinc/36/35/63/643363563.db2.gz XKGIDPGXZAASNI-JTQLQIEISA-N 1 0 241.291 -1.335 20 0 BAADRO CC(=O)N1CCO[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000082654652 643363789 /nfs/dbraw/zinc/36/37/89/643363789.db2.gz XKGIDPGXZAASNI-SNVBAGLBSA-N 1 0 241.291 -1.335 20 0 BAADRO O=C(NCCN1CC[NH2+]CC1)N1CCOCC1 ZINC000082654792 182186347 /nfs/dbraw/zinc/18/63/47/182186347.db2.gz YUZVZAOZUKIXLF-UHFFFAOYSA-N 1 0 242.323 -1.067 20 0 BAADRO C[NH2+]CC(=O)NCC(C)(C)NS(C)(=O)=O ZINC000082655481 487708123 /nfs/dbraw/zinc/70/81/23/487708123.db2.gz NGZVLRVQEFMDSN-UHFFFAOYSA-N 1 0 237.325 -1.350 20 0 BAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000082667365 487714052 /nfs/dbraw/zinc/71/40/52/487714052.db2.gz NYPMITBAPCSSLG-MRVPVSSYSA-N 1 0 249.336 -1.206 20 0 BAADRO CS(=O)(=O)NCC[NH2+][C@H]1CCCNC(=O)C1 ZINC000082667366 487714418 /nfs/dbraw/zinc/71/44/18/487714418.db2.gz NYPMITBAPCSSLG-QMMMGPOBSA-N 1 0 249.336 -1.206 20 0 BAADRO O=C1C[C@@H]([NH+](CCO)CCO)CCCN1 ZINC000082667753 487716730 /nfs/dbraw/zinc/71/67/30/487716730.db2.gz CRPSJSIPOWXTPC-VIFPVBQESA-N 1 0 216.281 -1.058 20 0 BAADRO O=C1C[C@H]([NH+](CCO)CCO)CCCN1 ZINC000082667754 487716669 /nfs/dbraw/zinc/71/66/69/487716669.db2.gz CRPSJSIPOWXTPC-SECBINFHSA-N 1 0 216.281 -1.058 20 0 BAADRO Cn1nnnc1NC[C@@H]1C[N@H+](C)CCN1C ZINC000082669151 384441126 /nfs/dbraw/zinc/44/11/26/384441126.db2.gz LCUCJUWMXMCYJH-MRVPVSSYSA-N 1 0 225.300 -1.132 20 0 BAADRO Cn1nnnc1NC[C@H]1C[N@H+](C)CCN1C ZINC000082669152 384440552 /nfs/dbraw/zinc/44/05/52/384440552.db2.gz LCUCJUWMXMCYJH-QMMMGPOBSA-N 1 0 225.300 -1.132 20 0 BAADRO CC(C)([NH3+])CC(=O)NCCNS(C)(=O)=O ZINC000082771859 487730041 /nfs/dbraw/zinc/73/00/41/487730041.db2.gz YCLCPJGWEMAIID-UHFFFAOYSA-N 1 0 237.325 -1.221 20 0 BAADRO CN1CCN(C(=O)C(=O)NCC[NH3+])CC1=O ZINC000082774487 362151564 /nfs/dbraw/zinc/15/15/64/362151564.db2.gz PUWDLHBDLYNEIB-UHFFFAOYSA-N 1 0 228.252 -2.638 20 0 BAADRO CN1CCN(C(=O)CNC(=O)C[NH3+])CC1=O ZINC000082774706 362151677 /nfs/dbraw/zinc/15/16/77/362151677.db2.gz RZURNYGHJDZUMZ-UHFFFAOYSA-N 1 0 228.252 -2.638 20 0 BAADRO CN1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1=O ZINC000082774710 362152913 /nfs/dbraw/zinc/15/29/13/362152913.db2.gz WCTQOBPVNJDYHT-JGVFFNPUSA-N 1 0 227.264 -1.990 20 0 BAADRO CN1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1=O ZINC000082774712 362152402 /nfs/dbraw/zinc/15/24/02/362152402.db2.gz WCTQOBPVNJDYHT-HTQZYQBOSA-N 1 0 227.264 -1.990 20 0 BAADRO CN1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1=O ZINC000082774763 136277147 /nfs/dbraw/zinc/27/71/47/136277147.db2.gz PIMTXILTCWMMRS-QMMMGPOBSA-N 1 0 227.264 -1.725 20 0 BAADRO CN1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1=O ZINC000082774764 136277086 /nfs/dbraw/zinc/27/70/86/136277086.db2.gz PIMTXILTCWMMRS-MRVPVSSYSA-N 1 0 227.264 -1.725 20 0 BAADRO CN1CCN(CCN2CC[NH2+]CC2)CC1=O ZINC000082774870 362152793 /nfs/dbraw/zinc/15/27/93/362152793.db2.gz DQEMYRPOWQTJBM-UHFFFAOYSA-N 1 0 226.324 -1.334 20 0 BAADRO CN1CCN(C[C@@H]2C[NH2+]CCO2)CC1=O ZINC000082774877 487732479 /nfs/dbraw/zinc/73/24/79/487732479.db2.gz NXIDBIRSFAWQSK-VIFPVBQESA-N 1 0 213.281 -1.251 20 0 BAADRO CN1CCN(C[C@H]2C[NH2+]CCO2)CC1=O ZINC000082774878 487732707 /nfs/dbraw/zinc/73/27/07/487732707.db2.gz NXIDBIRSFAWQSK-SECBINFHSA-N 1 0 213.281 -1.251 20 0 BAADRO COC(=O)CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000082807031 644395115 /nfs/dbraw/zinc/39/51/15/644395115.db2.gz BAFZMLOWYYEYRH-UHFFFAOYSA-N 1 0 238.247 -1.042 20 0 BAADRO CS(=O)(=O)NCCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000082920731 487753349 /nfs/dbraw/zinc/75/33/49/487753349.db2.gz VRUMHNYMGXAMLQ-SFYZADRCSA-N 1 0 249.336 -1.221 20 0 BAADRO C[C@H](O)CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000082995805 343470613 /nfs/dbraw/zinc/47/06/13/343470613.db2.gz NGJLNPNXDOZCIW-YUMQZZPRSA-N 1 0 202.254 -1.138 20 0 BAADRO C[C@@H](O)CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000082995806 343470560 /nfs/dbraw/zinc/47/05/60/343470560.db2.gz NGJLNPNXDOZCIW-SFYZADRCSA-N 1 0 202.254 -1.138 20 0 BAADRO C[C@H](O)CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000082995811 343470580 /nfs/dbraw/zinc/47/05/80/343470580.db2.gz NGJLNPNXDOZCIW-JGVFFNPUSA-N 1 0 202.254 -1.138 20 0 BAADRO C[C@@H](O)CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000082995812 343470290 /nfs/dbraw/zinc/47/02/90/343470290.db2.gz NGJLNPNXDOZCIW-HTQZYQBOSA-N 1 0 202.254 -1.138 20 0 BAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)[C@H](C)C[NH2+]1 ZINC000083118245 635171288 /nfs/dbraw/zinc/17/12/88/635171288.db2.gz PICLTPGHMWYETD-HTQZYQBOSA-N 1 0 224.268 -1.118 20 0 BAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)[C@@H](C)C[NH2+]1 ZINC000083118246 635170665 /nfs/dbraw/zinc/17/06/65/635170665.db2.gz PICLTPGHMWYETD-SFYZADRCSA-N 1 0 224.268 -1.118 20 0 BAADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Cn1cnnn1 ZINC000083118247 635171431 /nfs/dbraw/zinc/17/14/31/635171431.db2.gz PICLTPGHMWYETD-JGVFFNPUSA-N 1 0 224.268 -1.118 20 0 BAADRO C[C@H]1CN(C(=O)Cn2cnnn2)[C@@H](C)C[NH2+]1 ZINC000083118248 133517362 /nfs/dbraw/zinc/51/73/62/133517362.db2.gz PICLTPGHMWYETD-YUMQZZPRSA-N 1 0 224.268 -1.118 20 0 BAADRO C[N@H+](CCCO)C[C@H](O)CN1CCOCC1 ZINC000083245449 345505762 /nfs/dbraw/zinc/50/57/62/345505762.db2.gz WPLXSMQWDPIKGN-NSHDSACASA-N 1 0 232.324 -1.006 20 0 BAADRO C[N@H+](CCCO)C[C@@H](O)CN1CCOCC1 ZINC000083245451 345505715 /nfs/dbraw/zinc/50/57/15/345505715.db2.gz WPLXSMQWDPIKGN-LLVKDONJSA-N 1 0 232.324 -1.006 20 0 BAADRO COC[C@H]([NH3+])C(=O)NCCC(=O)OC ZINC000083344106 384288891 /nfs/dbraw/zinc/28/88/91/384288891.db2.gz UFSUWBUOXZKJGK-LURJTMIESA-N 1 0 204.226 -1.361 20 0 BAADRO CCOC(=O)CNC(=O)[C@@H]([NH3+])COC ZINC000083344107 170223000 /nfs/dbraw/zinc/22/30/00/170223000.db2.gz GKHZCRZCDPLJRA-LURJTMIESA-N 1 0 204.226 -1.361 20 0 BAADRO [NH3+]C1(C(=O)NCCN2CCOCC2)CC1 ZINC000083347445 181326234 /nfs/dbraw/zinc/32/62/34/181326234.db2.gz MLVMGQRJTAUYFL-UHFFFAOYSA-N 1 0 213.281 -1.074 20 0 BAADRO COC[C@H]([NH3+])C(=O)NCCCN1CCOCC1 ZINC000083374200 385965958 /nfs/dbraw/zinc/96/59/58/385965958.db2.gz JDTVWIFWGUTMSU-JTQLQIEISA-N 1 0 245.323 -1.201 20 0 BAADRO COC[C@@H](NC(=O)CNC(=O)C[NH3+])C(C)C ZINC000083399218 325566840 /nfs/dbraw/zinc/56/68/40/325566840.db2.gz ARJHNHMOCXIBHJ-MRVPVSSYSA-N 1 0 231.296 -1.152 20 0 BAADRO COC[C@H](NC(=O)CNC(=O)C[NH3+])C(C)C ZINC000083399220 325566688 /nfs/dbraw/zinc/56/66/88/325566688.db2.gz ARJHNHMOCXIBHJ-QMMMGPOBSA-N 1 0 231.296 -1.152 20 0 BAADRO [NH3+]C[C@H](NC(=O)Cn1cnnn1)C1CC1 ZINC000083565308 635356851 /nfs/dbraw/zinc/35/68/51/635356851.db2.gz ZCOSUWACLQNJPU-ZETCQYMHSA-N 1 0 210.241 -1.473 20 0 BAADRO [NH3+]C[C@@H](NC(=O)Cn1cnnn1)C1CC1 ZINC000083565309 635356265 /nfs/dbraw/zinc/35/62/65/635356265.db2.gz ZCOSUWACLQNJPU-SSDOTTSWSA-N 1 0 210.241 -1.473 20 0 BAADRO O=C(C[NH2+]C(CO)CO)NC1CCCC1 ZINC000083693966 368805766 /nfs/dbraw/zinc/80/57/66/368805766.db2.gz GFYCLSWWDHRJJH-UHFFFAOYSA-N 1 0 216.281 -1.012 20 0 BAADRO CC(C)COC[C@H](O)C[NH2+]C(CO)CO ZINC000083694011 343496829 /nfs/dbraw/zinc/49/68/29/343496829.db2.gz BBLIKQIOSPQNCI-SNVBAGLBSA-N 1 0 221.297 -1.037 20 0 BAADRO CC(C)COC[C@@H](O)C[NH2+]C(CO)CO ZINC000083694014 368805848 /nfs/dbraw/zinc/80/58/48/368805848.db2.gz BBLIKQIOSPQNCI-JTQLQIEISA-N 1 0 221.297 -1.037 20 0 BAADRO CN(C(=O)C[NH2+]C(CO)CO)C1CC1 ZINC000083694059 343496696 /nfs/dbraw/zinc/49/66/96/343496696.db2.gz AXCNNMZMTJBFNO-UHFFFAOYSA-N 1 0 202.254 -1.450 20 0 BAADRO CC(C)NC(=O)CC[NH2+]C(CO)CO ZINC000083694096 343496527 /nfs/dbraw/zinc/49/65/27/343496527.db2.gz LDZSFXIAODPKKE-UHFFFAOYSA-N 1 0 204.270 -1.156 20 0 BAADRO OCC(CO)[NH2+]C[C@H](O)C(F)(F)F ZINC000083694128 368805860 /nfs/dbraw/zinc/80/58/60/368805860.db2.gz JAGBOHAELXVPSW-YFKPBYRVSA-N 1 0 203.160 -1.148 20 0 BAADRO OCC(CO)[NH2+]C[C@@H](O)C(F)(F)F ZINC000083694132 343496674 /nfs/dbraw/zinc/49/66/74/343496674.db2.gz JAGBOHAELXVPSW-RXMQYKEDSA-N 1 0 203.160 -1.148 20 0 BAADRO CC(C)(C)NC(=O)C[NH2+]C(CO)CO ZINC000083694176 368805088 /nfs/dbraw/zinc/80/50/88/368805088.db2.gz ZZTDTSWBKUTRDI-UHFFFAOYSA-N 1 0 204.270 -1.156 20 0 BAADRO O=C(C[NH2+]C(CO)CO)N1CCCC1 ZINC000083694180 368805740 /nfs/dbraw/zinc/80/57/40/368805740.db2.gz OETUWQOLZKCOPJ-UHFFFAOYSA-N 1 0 202.254 -1.448 20 0 BAADRO CN(C)C(=O)CCC[NH2+]C(CO)CO ZINC000083694345 368805016 /nfs/dbraw/zinc/80/50/16/368805016.db2.gz DOQHEHLGLBBULU-UHFFFAOYSA-N 1 0 204.270 -1.202 20 0 BAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]C(CO)CO ZINC000083694577 343657783 /nfs/dbraw/zinc/65/77/83/343657783.db2.gz JWMRJFDXGSFYFS-ZCFIWIBFSA-N 1 0 233.268 -1.837 20 0 BAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]C(CO)CO ZINC000083694580 343657910 /nfs/dbraw/zinc/65/79/10/343657910.db2.gz JWMRJFDXGSFYFS-LURJTMIESA-N 1 0 233.268 -1.837 20 0 BAADRO O=C(C[NH2+]C(CO)CO)NCC(F)(F)F ZINC000083694726 368805265 /nfs/dbraw/zinc/80/52/65/368805265.db2.gz FLMAXJASPQKWAL-UHFFFAOYSA-N 1 0 230.186 -1.392 20 0 BAADRO CC(C)CNC(=O)C[NH2+]C(CO)CO ZINC000083695244 344181470 /nfs/dbraw/zinc/18/14/70/344181470.db2.gz JZRQPEVNAAJNRH-UHFFFAOYSA-N 1 0 204.270 -1.299 20 0 BAADRO O=C(C[NH2+]C(CO)CO)NCC1CC1 ZINC000083695277 352421358 /nfs/dbraw/zinc/42/13/58/352421358.db2.gz BBCRXVPOKCZWLY-UHFFFAOYSA-N 1 0 202.254 -1.545 20 0 BAADRO OCC(CO)[NH2+]CCN1CCOCC1 ZINC000083695279 487929178 /nfs/dbraw/zinc/92/91/78/487929178.db2.gz HKNRYGGUQMREDO-UHFFFAOYSA-N 1 0 204.270 -1.739 20 0 BAADRO OCC(CO)NC[C@@H](O)C[NH+]1CCCC1 ZINC000083695318 487700401 /nfs/dbraw/zinc/70/04/01/487700401.db2.gz WDNTVBOZYWAALV-SNVBAGLBSA-N 1 0 218.297 -1.614 20 0 BAADRO OCC(CO)NC[C@H](O)C[NH+]1CCCC1 ZINC000083695321 487929233 /nfs/dbraw/zinc/92/92/33/487929233.db2.gz WDNTVBOZYWAALV-JTQLQIEISA-N 1 0 218.297 -1.614 20 0 BAADRO CCCCNC(=O)C[NH2+]C(CO)CO ZINC000083695331 388646380 /nfs/dbraw/zinc/64/63/80/388646380.db2.gz HLPOUCUPYHHOIF-UHFFFAOYSA-N 1 0 204.270 -1.155 20 0 BAADRO CC[C@@H](C)NC(=O)C[NH2+]C(CO)CO ZINC000083695382 352420821 /nfs/dbraw/zinc/42/08/21/352420821.db2.gz SRQGXQZTMMHODA-SSDOTTSWSA-N 1 0 204.270 -1.156 20 0 BAADRO CC[C@H](C)NC(=O)C[NH2+]C(CO)CO ZINC000083695385 352421013 /nfs/dbraw/zinc/42/10/13/352421013.db2.gz SRQGXQZTMMHODA-ZETCQYMHSA-N 1 0 204.270 -1.156 20 0 BAADRO CN1CCN(C(=O)C[NH2+]C(CO)CO)CC1 ZINC000083695432 352422388 /nfs/dbraw/zinc/42/23/88/352422388.db2.gz CUBABOBNWYLFOK-UHFFFAOYSA-N 1 0 231.296 -2.297 20 0 BAADRO CCN(CC)C(=O)C[NH2+]C(CO)CO ZINC000083695604 343496502 /nfs/dbraw/zinc/49/65/02/343496502.db2.gz UZUVWNYCBUTTNN-UHFFFAOYSA-N 1 0 204.270 -1.202 20 0 BAADRO O=C(C[NH2+]C(CO)CO)N1CCCCC1 ZINC000083695618 343496795 /nfs/dbraw/zinc/49/67/95/343496795.db2.gz YNJSUEFNDMUUBV-UHFFFAOYSA-N 1 0 216.281 -1.058 20 0 BAADRO CC(C)OC[C@H](O)C[NH2+]C(CO)CO ZINC000083695694 352421996 /nfs/dbraw/zinc/42/19/96/352421996.db2.gz GUSLUJAXCDYEFS-SECBINFHSA-N 1 0 207.270 -1.285 20 0 BAADRO CC(C)OC[C@@H](O)C[NH2+]C(CO)CO ZINC000083695697 343496783 /nfs/dbraw/zinc/49/67/83/343496783.db2.gz GUSLUJAXCDYEFS-VIFPVBQESA-N 1 0 207.270 -1.285 20 0 BAADRO O=C1CN(C[C@@H]2C[NH2+]CCO2)CCCN1 ZINC000083747810 643541532 /nfs/dbraw/zinc/54/15/32/643541532.db2.gz OPMDUFHGGMWEOC-VIFPVBQESA-N 1 0 213.281 -1.203 20 0 BAADRO O=C1CN(C[C@H]2C[NH2+]CCO2)CCCN1 ZINC000083747811 643542642 /nfs/dbraw/zinc/54/26/42/643542642.db2.gz OPMDUFHGGMWEOC-SECBINFHSA-N 1 0 213.281 -1.203 20 0 BAADRO O=C([C@@H]1C[NH2+]CCO1)N1CCCNC(=O)C1 ZINC000083748052 711920022 /nfs/dbraw/zinc/92/00/22/711920022.db2.gz ROPKVXRELQYEAJ-QMMMGPOBSA-N 1 0 227.264 -1.677 20 0 BAADRO O=C([C@H]1C[NH2+]CCO1)N1CCCNC(=O)C1 ZINC000083748053 711920163 /nfs/dbraw/zinc/92/01/63/711920163.db2.gz ROPKVXRELQYEAJ-MRVPVSSYSA-N 1 0 227.264 -1.677 20 0 BAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)CC[NH2+]1 ZINC000083814158 176250008 /nfs/dbraw/zinc/25/00/08/176250008.db2.gz FIKSBYZOUUCARG-SSDOTTSWSA-N 1 0 210.241 -1.507 20 0 BAADRO C[C@H]1CN(C(=O)Cn2cnnn2)CC[NH2+]1 ZINC000083814159 177219253 /nfs/dbraw/zinc/21/92/53/177219253.db2.gz FIKSBYZOUUCARG-ZETCQYMHSA-N 1 0 210.241 -1.507 20 0 BAADRO C[C@@H](C(=O)NC(N)=O)N1CC[NH2+][C@H](C)C1 ZINC000083814721 711810250 /nfs/dbraw/zinc/81/02/50/711810250.db2.gz GVDVAOGPERTLCZ-RQJHMYQMSA-N 1 0 214.269 -1.137 20 0 BAADRO C[C@@H](C(=O)NC(N)=O)N1CC[NH2+][C@@H](C)C1 ZINC000083814722 711810041 /nfs/dbraw/zinc/81/00/41/711810041.db2.gz GVDVAOGPERTLCZ-BQBZGAKWSA-N 1 0 214.269 -1.137 20 0 BAADRO C[C@@H]1CN(CC(=O)NC(N)=O)CC[NH2+]1 ZINC000083814739 398285936 /nfs/dbraw/zinc/28/59/36/398285936.db2.gz TVFHJQGGQZSNMV-ZCFIWIBFSA-N 1 0 200.242 -1.525 20 0 BAADRO C[C@H]1CN(CC(=O)NC(N)=O)CC[NH2+]1 ZINC000083814740 398286046 /nfs/dbraw/zinc/28/60/46/398286046.db2.gz TVFHJQGGQZSNMV-LURJTMIESA-N 1 0 200.242 -1.525 20 0 BAADRO CNC(=O)NC(=O)CN1CC[NH2+][C@H](C)C1 ZINC000083814763 536322657 /nfs/dbraw/zinc/32/26/57/536322657.db2.gz ZBHXKESXJHMSLJ-SSDOTTSWSA-N 1 0 214.269 -1.264 20 0 BAADRO CNC(=O)NC(=O)CN1CC[NH2+][C@@H](C)C1 ZINC000083814764 536323021 /nfs/dbraw/zinc/32/30/21/536323021.db2.gz ZBHXKESXJHMSLJ-ZETCQYMHSA-N 1 0 214.269 -1.264 20 0 BAADRO C[C@@H]1CN(CCN2C(=O)CNC2=O)CC[NH2+]1 ZINC000083814773 711810211 /nfs/dbraw/zinc/81/02/11/711810211.db2.gz YPTVQAYPCOFUDB-MRVPVSSYSA-N 1 0 226.280 -1.168 20 0 BAADRO C[C@H]1CN(CCN2C(=O)CNC2=O)CC[NH2+]1 ZINC000083814774 711810159 /nfs/dbraw/zinc/81/01/59/711810159.db2.gz YPTVQAYPCOFUDB-QMMMGPOBSA-N 1 0 226.280 -1.168 20 0 BAADRO [NH3+]C1(C(=O)N2CCN(CCO)CC2)CC1 ZINC000083834178 384335942 /nfs/dbraw/zinc/33/59/42/384335942.db2.gz BGVMXXLYMZKZRB-UHFFFAOYSA-N 1 0 213.281 -1.386 20 0 BAADRO NS(=O)(=O)N1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000083835119 384801794 /nfs/dbraw/zinc/80/17/94/384801794.db2.gz AVCDWVIIVOZUDW-UHFFFAOYSA-N 1 0 248.308 -2.175 20 0 BAADRO CC(C)(CNC(=O)C1([NH3+])CC1)NS(C)(=O)=O ZINC000083836244 487941061 /nfs/dbraw/zinc/94/10/61/487941061.db2.gz WGDAPANPOBYRGN-UHFFFAOYSA-N 1 0 249.336 -1.078 20 0 BAADRO CC1(C)C[NH2+]CCN1C(=O)Cn1cnnn1 ZINC000083842513 487942239 /nfs/dbraw/zinc/94/22/39/487942239.db2.gz LFQKJASBKNCZGB-UHFFFAOYSA-N 1 0 224.268 -1.117 20 0 BAADRO CC1(C)C[NH2+]CCN1CC(=O)NC(N)=O ZINC000083842707 343677136 /nfs/dbraw/zinc/67/71/36/343677136.db2.gz DMBIJNRKGPKOGW-UHFFFAOYSA-N 1 0 214.269 -1.135 20 0 BAADRO C[NH+](C)CCNC(=O)[C@@H]1COCCN1 ZINC000083871922 384339296 /nfs/dbraw/zinc/33/92/96/384339296.db2.gz QKBXMAHXUAAZRC-QMMMGPOBSA-N 1 0 201.270 -1.347 20 0 BAADRO C[NH+](C)CCNC(=O)[C@H]1COCCN1 ZINC000083871923 384339232 /nfs/dbraw/zinc/33/92/32/384339232.db2.gz QKBXMAHXUAAZRC-MRVPVSSYSA-N 1 0 201.270 -1.347 20 0 BAADRO C[C@H](NC(=O)[C@@H]1COCCN1)C(=O)N(C)C ZINC000083872642 384808490 /nfs/dbraw/zinc/80/84/90/384808490.db2.gz LFEQJIFCTOPLDP-YUMQZZPRSA-N 1 0 229.280 -1.432 20 0 BAADRO C[C@H](NC(=O)[C@H]1COCCN1)C(=O)N(C)C ZINC000083872645 384807391 /nfs/dbraw/zinc/80/73/91/384807391.db2.gz LFEQJIFCTOPLDP-JGVFFNPUSA-N 1 0 229.280 -1.432 20 0 BAADRO C[NH2+]CCN(C)C(=O)[C@@H]1COCCN1 ZINC000083873864 384339051 /nfs/dbraw/zinc/33/90/51/384339051.db2.gz RLSNSOQMCISEDD-QMMMGPOBSA-N 1 0 201.270 -1.347 20 0 BAADRO C[NH2+]CCN(C)C(=O)[C@H]1COCCN1 ZINC000083873865 384338315 /nfs/dbraw/zinc/33/83/15/384338315.db2.gz RLSNSOQMCISEDD-MRVPVSSYSA-N 1 0 201.270 -1.347 20 0 BAADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCOCC1 ZINC000083884271 351970938 /nfs/dbraw/zinc/97/09/38/351970938.db2.gz WUXUZUVRAFBFME-SECBINFHSA-N 1 0 241.291 -1.287 20 0 BAADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCOCC1 ZINC000083884273 351970872 /nfs/dbraw/zinc/97/08/72/351970872.db2.gz WUXUZUVRAFBFME-VIFPVBQESA-N 1 0 241.291 -1.287 20 0 BAADRO CN1CCOC[C@@H]1CNC(=O)CC[NH3+] ZINC000083885772 487957193 /nfs/dbraw/zinc/95/71/93/487957193.db2.gz RGHBDCBOWKJYCK-QMMMGPOBSA-N 1 0 201.270 -1.218 20 0 BAADRO CN1CCOC[C@H]1CNC(=O)CC[NH3+] ZINC000083885773 487957657 /nfs/dbraw/zinc/95/76/57/487957657.db2.gz RGHBDCBOWKJYCK-MRVPVSSYSA-N 1 0 201.270 -1.218 20 0 BAADRO C[NH2+]CC(=O)NC[C@@H]1COCCN1C ZINC000083885776 487957490 /nfs/dbraw/zinc/95/74/90/487957490.db2.gz HFWVCIWIXPANLW-MRVPVSSYSA-N 1 0 201.270 -1.347 20 0 BAADRO C[NH2+]CC(=O)NC[C@H]1COCCN1C ZINC000083885777 487957385 /nfs/dbraw/zinc/95/73/85/487957385.db2.gz HFWVCIWIXPANLW-QMMMGPOBSA-N 1 0 201.270 -1.347 20 0 BAADRO CN1CCN(C(=O)CN2CC[NH2+]CC2)CC1=O ZINC000083887732 487958183 /nfs/dbraw/zinc/95/81/83/487958183.db2.gz QAKMDOUDGZULRV-UHFFFAOYSA-N 1 0 240.307 -1.808 20 0 BAADRO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C[NH3+] ZINC000083903290 368837652 /nfs/dbraw/zinc/83/76/52/368837652.db2.gz WGZNYRPWKABRBF-SSDOTTSWSA-N 1 0 235.309 -1.515 20 0 BAADRO CN1C[C@H](NC(=O)CN2CC[NH2+]CC2)CC1=O ZINC000083940161 487969085 /nfs/dbraw/zinc/96/90/85/487969085.db2.gz WSWANJSNRHRSRX-SECBINFHSA-N 1 0 240.307 -1.762 20 0 BAADRO CN1C[C@@H](NC(=O)CN2CC[NH2+]CC2)CC1=O ZINC000083940162 487968864 /nfs/dbraw/zinc/96/88/64/487968864.db2.gz WSWANJSNRHRSRX-VIFPVBQESA-N 1 0 240.307 -1.762 20 0 BAADRO CN1CCN(C(=O)CCNC(=O)C[NH3+])CC1 ZINC000083960670 384823231 /nfs/dbraw/zinc/82/32/31/384823231.db2.gz WVLQCWGEDSKNQK-UHFFFAOYSA-N 1 0 228.296 -1.775 20 0 BAADRO C[C@H]([NH3+])C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000083960672 384822344 /nfs/dbraw/zinc/82/23/44/384822344.db2.gz PWIIIYOBGFZCFV-VIFPVBQESA-N 1 0 242.323 -1.386 20 0 BAADRO C[C@@H]([NH3+])C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000083960673 411277872 /nfs/dbraw/zinc/27/78/72/411277872.db2.gz PWIIIYOBGFZCFV-SECBINFHSA-N 1 0 242.323 -1.386 20 0 BAADRO CC(C)NC(=O)CN1CCN(C(=O)C[NH3+])CC1 ZINC000083960813 388068760 /nfs/dbraw/zinc/06/87/60/388068760.db2.gz TYJWNSQRTYUPRZ-UHFFFAOYSA-N 1 0 242.323 -1.386 20 0 BAADRO [NH3+]CC(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000083960815 388067873 /nfs/dbraw/zinc/06/78/73/388067873.db2.gz JRKCOJVRUFNEFD-UHFFFAOYSA-N 1 0 240.307 -1.632 20 0 BAADRO CCS(=O)(=O)N1CCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000083960939 343511585 /nfs/dbraw/zinc/51/15/85/343511585.db2.gz LWPNKZPTRJAWSX-MRVPVSSYSA-N 1 0 249.336 -1.173 20 0 BAADRO CCS(=O)(=O)N1CCN(C(=O)C[NH2+]C)CC1 ZINC000083960941 384821396 /nfs/dbraw/zinc/82/13/96/384821396.db2.gz RWKJDAYHGXKVJZ-UHFFFAOYSA-N 1 0 249.336 -1.300 20 0 BAADRO CN1C(=O)C[C@H]([NH2+][C@@H]2CCC(=O)N(C)C2)C1=O ZINC000084063810 368846227 /nfs/dbraw/zinc/84/62/27/368846227.db2.gz HGRAWQBTAMZTDP-SFYZADRCSA-N 1 0 239.275 -1.046 20 0 BAADRO CN1C(=O)C[C@H]([NH2+][C@H]2CCC(=O)N(C)C2)C1=O ZINC000084063811 368846669 /nfs/dbraw/zinc/84/66/69/368846669.db2.gz HGRAWQBTAMZTDP-YUMQZZPRSA-N 1 0 239.275 -1.046 20 0 BAADRO COC(=O)CCN(C)S(=O)(=O)NCC[NH3+] ZINC000084083496 536450145 /nfs/dbraw/zinc/45/01/45/536450145.db2.gz GSTNIPMLKXWULX-UHFFFAOYSA-N 1 0 239.297 -1.726 20 0 BAADRO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCN(C)C(=O)C2)C1 ZINC000084202594 388073599 /nfs/dbraw/zinc/07/35/99/388073599.db2.gz PGMGVJXJGXLMKT-DTWKUNHWSA-N 1 0 241.291 -1.336 20 0 BAADRO COC[C@@H](O)C[NH2+][C@H]1CCC(=O)N(C)C1=O ZINC000084406922 344192134 /nfs/dbraw/zinc/19/21/34/344192134.db2.gz BVHHAZCZHZFXJY-YUMQZZPRSA-N 1 0 230.264 -1.269 20 0 BAADRO COC[C@@H](O)C[NH2+][C@@H]1CCC(=O)N(C)C1=O ZINC000084406924 344191796 /nfs/dbraw/zinc/19/17/96/344191796.db2.gz BVHHAZCZHZFXJY-JGVFFNPUSA-N 1 0 230.264 -1.269 20 0 BAADRO COC[C@H](O)C[NH2+][C@H]1CCC(=O)N(C)C1=O ZINC000084406927 344191738 /nfs/dbraw/zinc/19/17/38/344191738.db2.gz BVHHAZCZHZFXJY-SFYZADRCSA-N 1 0 230.264 -1.269 20 0 BAADRO COC[C@H](O)C[NH2+][C@@H]1CCC(=O)N(C)C1=O ZINC000084406928 344191844 /nfs/dbraw/zinc/19/18/44/344191844.db2.gz BVHHAZCZHZFXJY-HTQZYQBOSA-N 1 0 230.264 -1.269 20 0 BAADRO O=C(C1C[NH2+]C1)N1CCN(CCO)CC1 ZINC000084408824 135247661 /nfs/dbraw/zinc/24/76/61/135247661.db2.gz YYCYBGAUCCJOSO-UHFFFAOYSA-N 1 0 213.281 -1.658 20 0 BAADRO CN(CC(=O)NC1CC1)C(=O)C1C[NH2+]C1 ZINC000084409047 135247490 /nfs/dbraw/zinc/24/74/90/135247490.db2.gz MMDKAWJIIGSPRK-UHFFFAOYSA-N 1 0 211.265 -1.057 20 0 BAADRO O=C(C1C[NH2+]C1)N1CCS(=O)(=O)CC1 ZINC000084409156 135248036 /nfs/dbraw/zinc/24/80/36/135248036.db2.gz OICIJVPPYXHRRI-UHFFFAOYSA-N 1 0 218.278 -1.537 20 0 BAADRO CN(C(=O)C1C[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000084409276 135247753 /nfs/dbraw/zinc/24/77/53/135247753.db2.gz UJDWUGWBWWWEMY-MRVPVSSYSA-N 1 0 232.305 -1.149 20 0 BAADRO CN(C(=O)C1C[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000084409280 135247676 /nfs/dbraw/zinc/24/76/76/135247676.db2.gz UJDWUGWBWWWEMY-QMMMGPOBSA-N 1 0 232.305 -1.149 20 0 BAADRO NS(=O)(=O)N1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000084410504 388077938 /nfs/dbraw/zinc/07/79/38/388077938.db2.gz SMUAFRDLYNNKQB-UHFFFAOYSA-N 1 0 248.308 -2.447 20 0 BAADRO CC1(C)C(=O)NCCN1C(=O)C1C[NH2+]C1 ZINC000084412162 135247540 /nfs/dbraw/zinc/24/75/40/135247540.db2.gz HBEVRGRDVPBSCI-UHFFFAOYSA-N 1 0 211.265 -1.057 20 0 BAADRO CN1CCN(C(=O)COCC[NH3+])CC1 ZINC000084550433 173066298 /nfs/dbraw/zinc/06/62/98/173066298.db2.gz IQFLJMNJOYTMOY-UHFFFAOYSA-N 1 0 201.270 -1.264 20 0 BAADRO CC(C)COC[C@H](O)C[NH2+]C[C@@H](O)CO ZINC000085247952 643606810 /nfs/dbraw/zinc/60/68/10/643606810.db2.gz BJTCCSYUVCBFCD-NXEZZACHSA-N 1 0 221.297 -1.037 20 0 BAADRO CC(C)COC[C@@H](O)C[NH2+]C[C@@H](O)CO ZINC000085247953 643700690 /nfs/dbraw/zinc/70/06/90/643700690.db2.gz BJTCCSYUVCBFCD-ZJUUUORDSA-N 1 0 221.297 -1.037 20 0 BAADRO OC[C@@H](O)C[NH2+]C[C@H](O)C(F)(F)F ZINC000085248057 356299221 /nfs/dbraw/zinc/29/92/21/356299221.db2.gz IOGOXTGMHMMRGL-WHFBIAKZSA-N 1 0 203.160 -1.148 20 0 BAADRO OC[C@H](O)C[NH2+]C[C@H](O)C(F)(F)F ZINC000085248058 356299379 /nfs/dbraw/zinc/29/93/79/356299379.db2.gz IOGOXTGMHMMRGL-UHNVWZDZSA-N 1 0 203.160 -1.148 20 0 BAADRO OC[C@@H](O)C[NH2+]C[C@@H](O)C(F)(F)F ZINC000085248059 356299160 /nfs/dbraw/zinc/29/91/60/356299160.db2.gz IOGOXTGMHMMRGL-CRCLSJGQSA-N 1 0 203.160 -1.148 20 0 BAADRO OC[C@H](O)C[NH2+]C[C@@H](O)C(F)(F)F ZINC000085248061 356299123 /nfs/dbraw/zinc/29/91/23/356299123.db2.gz IOGOXTGMHMMRGL-RFZPGFLSSA-N 1 0 203.160 -1.148 20 0 BAADRO CC(C)OC[C@H](O)C[NH2+]C[C@H](O)CO ZINC000085248403 643606366 /nfs/dbraw/zinc/60/63/66/643606366.db2.gz BASJACGFWIJPHY-DTWKUNHWSA-N 1 0 207.270 -1.285 20 0 BAADRO CC(C)OC[C@@H](O)C[NH2+]C[C@H](O)CO ZINC000085248404 644435046 /nfs/dbraw/zinc/43/50/46/644435046.db2.gz BASJACGFWIJPHY-IUCAKERBSA-N 1 0 207.270 -1.285 20 0 BAADRO CC(C)OC[C@H](O)C[NH2+]C[C@@H](O)CO ZINC000085248405 644436510 /nfs/dbraw/zinc/43/65/10/644436510.db2.gz BASJACGFWIJPHY-RKDXNWHRSA-N 1 0 207.270 -1.285 20 0 BAADRO CC(C)OC[C@@H](O)C[NH2+]C[C@@H](O)CO ZINC000085248407 644434367 /nfs/dbraw/zinc/43/43/67/644434367.db2.gz BASJACGFWIJPHY-BDAKNGLRSA-N 1 0 207.270 -1.285 20 0 BAADRO OC[C@@H](O)CNC[C@@H](O)C[NH+]1CCCC1 ZINC000085248580 488149163 /nfs/dbraw/zinc/14/91/63/488149163.db2.gz QUDGMTDQDLUXPW-ZJUUUORDSA-N 1 0 218.297 -1.614 20 0 BAADRO OC[C@@H](O)CNC[C@H](O)C[NH+]1CCCC1 ZINC000085248583 488149369 /nfs/dbraw/zinc/14/93/69/488149369.db2.gz QUDGMTDQDLUXPW-UWVGGRQHSA-N 1 0 218.297 -1.614 20 0 BAADRO OC[C@H](O)CNC[C@@H](O)C[NH+]1CCCC1 ZINC000085248585 488149597 /nfs/dbraw/zinc/14/95/97/488149597.db2.gz QUDGMTDQDLUXPW-NXEZZACHSA-N 1 0 218.297 -1.614 20 0 BAADRO OC[C@H](O)CNC[C@H](O)C[NH+]1CCCC1 ZINC000085248587 488149115 /nfs/dbraw/zinc/14/91/15/488149115.db2.gz QUDGMTDQDLUXPW-VHSXEESVSA-N 1 0 218.297 -1.614 20 0 BAADRO CCOC[C@H](O)C[NH2+]C[C@](C)(O)CO ZINC000085253836 356299097 /nfs/dbraw/zinc/29/90/97/356299097.db2.gz JWLFSALOGHGFBH-BDAKNGLRSA-N 1 0 207.270 -1.283 20 0 BAADRO CCOC[C@@H](O)C[NH2+]C[C@](C)(O)CO ZINC000085253838 356299315 /nfs/dbraw/zinc/29/93/15/356299315.db2.gz JWLFSALOGHGFBH-IUCAKERBSA-N 1 0 207.270 -1.283 20 0 BAADRO CCOC[C@H](O)C[NH2+]C[C@@](C)(O)CO ZINC000085253840 356299248 /nfs/dbraw/zinc/29/92/48/356299248.db2.gz JWLFSALOGHGFBH-RKDXNWHRSA-N 1 0 207.270 -1.283 20 0 BAADRO CCOC[C@@H](O)C[NH2+]C[C@@](C)(O)CO ZINC000085253842 356299266 /nfs/dbraw/zinc/29/92/66/356299266.db2.gz JWLFSALOGHGFBH-DTWKUNHWSA-N 1 0 207.270 -1.283 20 0 BAADRO C[C@](O)(CO)CNC[C@H](O)C[NH+]1CCCC1 ZINC000085254432 488149311 /nfs/dbraw/zinc/14/93/11/488149311.db2.gz NGMFGPDVRQZMNN-WDEREUQCSA-N 1 0 232.324 -1.224 20 0 BAADRO C[C@@](O)(CO)CNC[C@H](O)C[NH+]1CCCC1 ZINC000085254434 488149272 /nfs/dbraw/zinc/14/92/72/488149272.db2.gz NGMFGPDVRQZMNN-QWRGUYRKSA-N 1 0 232.324 -1.224 20 0 BAADRO C[C@](O)(CO)CNC[C@@H](O)C[NH+]1CCCC1 ZINC000085254436 488149618 /nfs/dbraw/zinc/14/96/18/488149618.db2.gz NGMFGPDVRQZMNN-GHMZBOCLSA-N 1 0 232.324 -1.224 20 0 BAADRO C[C@@](O)(CO)CNC[C@@H](O)C[NH+]1CCCC1 ZINC000085254438 488150240 /nfs/dbraw/zinc/15/02/40/488150240.db2.gz NGMFGPDVRQZMNN-MNOVXSKESA-N 1 0 232.324 -1.224 20 0 BAADRO CCS(=O)(=O)CC[NH2+]C[C@](C)(O)CO ZINC000085254448 643607430 /nfs/dbraw/zinc/60/74/30/643607430.db2.gz SFQHSDISYDKXIZ-QMMMGPOBSA-N 1 0 225.310 -1.246 20 0 BAADRO CCS(=O)(=O)CC[NH2+]C[C@@](C)(O)CO ZINC000085254449 643606402 /nfs/dbraw/zinc/60/64/02/643606402.db2.gz SFQHSDISYDKXIZ-MRVPVSSYSA-N 1 0 225.310 -1.246 20 0 BAADRO C[C@@H]1CN(S(=O)(=O)NC2C[NH2+]C2)C[C@H](C)O1 ZINC000085256343 488150583 /nfs/dbraw/zinc/15/05/83/488150583.db2.gz IXLQNVTVRHDLHO-OCAPTIKFSA-N 1 0 249.336 -1.098 20 0 BAADRO C[C@H]1CN(S(=O)(=O)NC2C[NH2+]C2)C[C@H](C)O1 ZINC000085256345 488150497 /nfs/dbraw/zinc/15/04/97/488150497.db2.gz IXLQNVTVRHDLHO-YUMQZZPRSA-N 1 0 249.336 -1.098 20 0 BAADRO C[C@@H]1CN(S(=O)(=O)NC2C[NH2+]C2)C[C@@H](C)O1 ZINC000085256347 488150317 /nfs/dbraw/zinc/15/03/17/488150317.db2.gz IXLQNVTVRHDLHO-HTQZYQBOSA-N 1 0 249.336 -1.098 20 0 BAADRO O=S(=O)(NC1C[NH2+]C1)N1CCCC1 ZINC000085256350 356300061 /nfs/dbraw/zinc/30/00/61/356300061.db2.gz KABQDJJPPUQGGV-UHFFFAOYSA-N 1 0 205.283 -1.112 20 0 BAADRO COCCCS(=O)(=O)NC1C[NH2+]C1 ZINC000085256380 384513210 /nfs/dbraw/zinc/51/32/10/384513210.db2.gz SCYVIYOPOJQDOP-UHFFFAOYSA-N 1 0 208.283 -1.086 20 0 BAADRO Cc1n[nH]cc1S(=O)(=O)NC1C[NH2+]C1 ZINC000085256455 388666523 /nfs/dbraw/zinc/66/65/23/388666523.db2.gz PXKDITNDBXRYLP-UHFFFAOYSA-N 1 0 216.266 -1.032 20 0 BAADRO CCOCCS(=O)(=O)NC1C[NH2+]C1 ZINC000085256495 356300102 /nfs/dbraw/zinc/30/01/02/356300102.db2.gz JRVQMPQYTZYFFB-UHFFFAOYSA-N 1 0 208.283 -1.086 20 0 BAADRO O=S(=O)(NC1C[NH2+]C1)c1c[nH]cn1 ZINC000085256498 356300014 /nfs/dbraw/zinc/30/00/14/356300014.db2.gz RUNSNICDFIBMGA-UHFFFAOYSA-N 1 0 202.239 -1.340 20 0 BAADRO COCCS(=O)(=O)N(C)C1C[NH2+]C1 ZINC000085257859 134271835 /nfs/dbraw/zinc/27/18/35/134271835.db2.gz AIXNOHXWJDMXTQ-UHFFFAOYSA-N 1 0 208.283 -1.134 20 0 BAADRO CN(C1C[NH2+]C1)S(=O)(=O)N1CCOCC1 ZINC000085257909 134272271 /nfs/dbraw/zinc/27/22/71/134272271.db2.gz LCDGCMDSGQLWFS-UHFFFAOYSA-N 1 0 235.309 -1.533 20 0 BAADRO CNC(=O)NC(=O)CCN(C)C1C[NH2+]C1 ZINC000085257976 134272399 /nfs/dbraw/zinc/27/23/99/134272399.db2.gz OREDDEKSRZHMIP-UHFFFAOYSA-N 1 0 214.269 -1.264 20 0 BAADRO CNC(=O)NC(=O)CN(C)C1C[NH2+]C1 ZINC000085257986 536321347 /nfs/dbraw/zinc/32/13/47/536321347.db2.gz CNZXPSKQWPBDCJ-UHFFFAOYSA-N 1 0 200.242 -1.654 20 0 BAADRO CN(CCN1C(=O)CNC1=O)C1C[NH2+]C1 ZINC000085258077 134272539 /nfs/dbraw/zinc/27/25/39/134272539.db2.gz UJXNWWFVDAGKTL-UHFFFAOYSA-N 1 0 212.253 -1.558 20 0 BAADRO CCNC(=O)NC(=O)CN(C)C1C[NH2+]C1 ZINC000085258110 134270289 /nfs/dbraw/zinc/27/02/89/134270289.db2.gz GXVLOFPPQVQUAV-UHFFFAOYSA-N 1 0 214.269 -1.264 20 0 BAADRO CN(CC(=O)N1CCOCC1)C1C[NH2+]C1 ZINC000085258169 134270765 /nfs/dbraw/zinc/27/07/65/134270765.db2.gz CATCSMUMVPSCGN-UHFFFAOYSA-N 1 0 213.281 -1.251 20 0 BAADRO CN(CC(=O)NC(=O)NC1CC1)C1C[NH2+]C1 ZINC000085258182 134273672 /nfs/dbraw/zinc/27/36/72/134273672.db2.gz WKLKHUUQJHNWSF-UHFFFAOYSA-N 1 0 226.280 -1.122 20 0 BAADRO CN(CCC(=O)NC(N)=O)C1C[NH2+]C1 ZINC000085258320 536304913 /nfs/dbraw/zinc/30/49/13/536304913.db2.gz SUKVZLMDBVOFMF-UHFFFAOYSA-N 1 0 200.242 -1.525 20 0 BAADRO O=C(Cn1cnnn1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282369 388085971 /nfs/dbraw/zinc/08/59/71/388085971.db2.gz UKIKNXKCKCMKLV-OCAPTIKFSA-N 1 0 222.252 -1.649 20 0 BAADRO CN(C)S(=O)(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085283042 134274923 /nfs/dbraw/zinc/27/49/23/134274923.db2.gz IWXAFTYANMUILV-OCAPTIKFSA-N 1 0 219.310 -1.056 20 0 BAADRO CNC(=O)CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000085613036 384546858 /nfs/dbraw/zinc/54/68/58/384546858.db2.gz OIXCXUDQNXTUMA-SSDOTTSWSA-N 1 0 231.321 -1.056 20 0 BAADRO CNC(=O)CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000085613041 384546541 /nfs/dbraw/zinc/54/65/41/384546541.db2.gz OIXCXUDQNXTUMA-ZETCQYMHSA-N 1 0 231.321 -1.056 20 0 BAADRO COC(=O)CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000085619469 384547941 /nfs/dbraw/zinc/54/79/41/384547941.db2.gz VYNCFNKQUXNNPS-SSDOTTSWSA-N 1 0 216.237 -1.346 20 0 BAADRO COC(=O)CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000085619471 384547864 /nfs/dbraw/zinc/54/78/64/384547864.db2.gz VYNCFNKQUXNNPS-ZETCQYMHSA-N 1 0 216.237 -1.346 20 0 BAADRO CN1CCO[C@H](CNC(=O)C2C[NH2+]C2)C1 ZINC000085790581 343606280 /nfs/dbraw/zinc/60/62/80/343606280.db2.gz FBOWGOKXWXXRBE-SECBINFHSA-N 1 0 213.281 -1.347 20 0 BAADRO CN1CCO[C@@H](CNC(=O)C2C[NH2+]C2)C1 ZINC000085790583 343606339 /nfs/dbraw/zinc/60/63/39/343606339.db2.gz FBOWGOKXWXXRBE-VIFPVBQESA-N 1 0 213.281 -1.347 20 0 BAADRO O=C(C1C[NH2+]C1)N1CCN2C(=O)NC[C@H]2C1 ZINC000085808264 134544394 /nfs/dbraw/zinc/54/43/94/134544394.db2.gz HNBPLJCBZKSPOI-QMMMGPOBSA-N 1 0 224.264 -1.558 20 0 BAADRO O=C(C1C[NH2+]C1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000085808269 134544287 /nfs/dbraw/zinc/54/42/87/134544287.db2.gz HNBPLJCBZKSPOI-MRVPVSSYSA-N 1 0 224.264 -1.558 20 0 BAADRO CC[C@@H]([NH3+])C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000085808272 357472614 /nfs/dbraw/zinc/47/26/14/357472614.db2.gz XMEPNQUBPYUWIO-HTQZYQBOSA-N 1 0 226.280 -1.040 20 0 BAADRO CC[C@@H]([NH3+])C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000085808279 357472626 /nfs/dbraw/zinc/47/26/26/357472626.db2.gz XMEPNQUBPYUWIO-JGVFFNPUSA-N 1 0 226.280 -1.040 20 0 BAADRO CC[C@H]([NH3+])C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000085808317 357625397 /nfs/dbraw/zinc/62/53/97/357625397.db2.gz XMEPNQUBPYUWIO-SFYZADRCSA-N 1 0 226.280 -1.040 20 0 BAADRO CC[C@H]([NH3+])C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000085808320 357625080 /nfs/dbraw/zinc/62/50/80/357625080.db2.gz XMEPNQUBPYUWIO-YUMQZZPRSA-N 1 0 226.280 -1.040 20 0 BAADRO C[NH2+]C[C@H](C)C(=O)N1CCN(CCO)CC1 ZINC000086065618 388098867 /nfs/dbraw/zinc/09/88/67/388098867.db2.gz FREXWCZOHDFKHS-JTQLQIEISA-N 1 0 229.324 -1.022 20 0 BAADRO C[NH2+]C[C@@H](C)C(=O)N1CCN(CCO)CC1 ZINC000086065622 135489720 /nfs/dbraw/zinc/48/97/20/135489720.db2.gz FREXWCZOHDFKHS-SNVBAGLBSA-N 1 0 229.324 -1.022 20 0 BAADRO C[NH2+]C[C@H](C)C(=O)NCCNS(C)(=O)=O ZINC000086065842 134579059 /nfs/dbraw/zinc/57/90/59/134579059.db2.gz GBAIRMZBIGKVJS-ZETCQYMHSA-N 1 0 237.325 -1.493 20 0 BAADRO C[NH2+]C[C@@H](C)C(=O)NCCNS(C)(=O)=O ZINC000086065845 343608911 /nfs/dbraw/zinc/60/89/11/343608911.db2.gz GBAIRMZBIGKVJS-SSDOTTSWSA-N 1 0 237.325 -1.493 20 0 BAADRO CC(C)[C@@H](CO)[NH2+]CC(=O)NC(N)=O ZINC000086124107 535203042 /nfs/dbraw/zinc/20/30/42/535203042.db2.gz IJCDZDGZOUXURV-ZCFIWIBFSA-N 1 0 203.242 -1.212 20 0 BAADRO CC(C)[C@H](CO)[NH2+]CC(=O)NC(N)=O ZINC000086124109 343611115 /nfs/dbraw/zinc/61/11/15/343611115.db2.gz IJCDZDGZOUXURV-LURJTMIESA-N 1 0 203.242 -1.212 20 0 BAADRO COCC[NH2+]CC(=O)NCC(=O)NC1CC1 ZINC000086157959 357862537 /nfs/dbraw/zinc/86/25/37/357862537.db2.gz FIUKNJVAXHNIBM-UHFFFAOYSA-N 1 0 229.280 -1.383 20 0 BAADRO CCN(CC(=O)NC)C(=O)C[NH2+]CCOC ZINC000086157992 631465865 /nfs/dbraw/zinc/46/58/65/631465865.db2.gz HXWKKZDGSWJDTM-UHFFFAOYSA-N 1 0 231.296 -1.183 20 0 BAADRO COCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000086157995 398087483 /nfs/dbraw/zinc/08/74/83/398087483.db2.gz QOBIEMMPSVMCHL-QMMMGPOBSA-N 1 0 231.296 -1.185 20 0 BAADRO COCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC000086157996 398087479 /nfs/dbraw/zinc/08/74/79/398087479.db2.gz QOBIEMMPSVMCHL-MRVPVSSYSA-N 1 0 231.296 -1.185 20 0 BAADRO CCOC(=O)CNC(=O)C[NH2+]CCOC ZINC000086158022 643935144 /nfs/dbraw/zinc/93/51/44/643935144.db2.gz WWFPDUUQIWRHKO-UHFFFAOYSA-N 1 0 218.253 -1.098 20 0 BAADRO COCC[NH2+]CC(=O)NCCC(=O)N(C)C ZINC000086158027 357862073 /nfs/dbraw/zinc/86/20/73/357862073.db2.gz QZNRARBUUHHJAB-UHFFFAOYSA-N 1 0 231.296 -1.183 20 0 BAADRO CCNC(=O)CN(C)C(=O)C[NH2+]CCOC ZINC000086158049 487486859 /nfs/dbraw/zinc/48/68/59/487486859.db2.gz SDLNDJUHNPJFOP-UHFFFAOYSA-N 1 0 231.296 -1.183 20 0 BAADRO COCC[NH2+]CC(=O)N1CCNC(=O)[C@H]1C ZINC000086158289 134590853 /nfs/dbraw/zinc/59/08/53/134590853.db2.gz JADXAKPQBWWFPP-MRVPVSSYSA-N 1 0 229.280 -1.431 20 0 BAADRO COCC[NH2+]CC(=O)N1CCNC(=O)[C@@H]1C ZINC000086158290 134591135 /nfs/dbraw/zinc/59/11/35/134591135.db2.gz JADXAKPQBWWFPP-QMMMGPOBSA-N 1 0 229.280 -1.431 20 0 BAADRO COCC[NH2+]CC(=O)N1CCN(C)C(=O)C1 ZINC000086158377 358426842 /nfs/dbraw/zinc/42/68/42/358426842.db2.gz IULKDNAMFBLPBZ-UHFFFAOYSA-N 1 0 229.280 -1.477 20 0 BAADRO COCC[NH2+]CC(=O)N1CCCNC(=O)C1 ZINC000086158398 643934043 /nfs/dbraw/zinc/93/40/43/643934043.db2.gz POYMFIVAKIJMDK-UHFFFAOYSA-N 1 0 229.280 -1.429 20 0 BAADRO C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCNC(=O)C1 ZINC000086270675 387521263 /nfs/dbraw/zinc/52/12/63/387521263.db2.gz BCPKJMUHLYIKFJ-HTQZYQBOSA-N 1 0 211.265 -1.057 20 0 BAADRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCNC(=O)C1 ZINC000086270676 387521475 /nfs/dbraw/zinc/52/14/75/387521475.db2.gz BCPKJMUHLYIKFJ-JGVFFNPUSA-N 1 0 211.265 -1.057 20 0 BAADRO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCNC(=O)C1 ZINC000086270677 256780046 /nfs/dbraw/zinc/78/00/46/256780046.db2.gz BCPKJMUHLYIKFJ-SFYZADRCSA-N 1 0 211.265 -1.057 20 0 BAADRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCNC(=O)C1 ZINC000086270678 387521012 /nfs/dbraw/zinc/52/10/12/387521012.db2.gz BCPKJMUHLYIKFJ-YUMQZZPRSA-N 1 0 211.265 -1.057 20 0 BAADRO C[C@H]1[NH2+]CC[C@H]1C(=O)NCCNS(C)(=O)=O ZINC000086271058 368877638 /nfs/dbraw/zinc/87/76/38/368877638.db2.gz SOFTVCRGBZDSAM-HTQZYQBOSA-N 1 0 249.336 -1.350 20 0 BAADRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCNS(C)(=O)=O ZINC000086271059 368877697 /nfs/dbraw/zinc/87/76/97/368877697.db2.gz SOFTVCRGBZDSAM-JGVFFNPUSA-N 1 0 249.336 -1.350 20 0 BAADRO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCNS(C)(=O)=O ZINC000086271060 368877692 /nfs/dbraw/zinc/87/76/92/368877692.db2.gz SOFTVCRGBZDSAM-SFYZADRCSA-N 1 0 249.336 -1.350 20 0 BAADRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCNS(C)(=O)=O ZINC000086271061 368877712 /nfs/dbraw/zinc/87/77/12/368877712.db2.gz SOFTVCRGBZDSAM-YUMQZZPRSA-N 1 0 249.336 -1.350 20 0 BAADRO CN1CC[C@H]([N@H+]2C[C@@H](O)[C@@H](O)C2)C1=O ZINC000086331079 191149058 /nfs/dbraw/zinc/14/90/58/191149058.db2.gz APIMNJKYQJHFBC-BIIVOSGPSA-N 1 0 200.238 -1.746 20 0 BAADRO CN1CC[C@@H]([N@H+]2C[C@@H](O)[C@@H](O)C2)C1=O ZINC000086331080 191149558 /nfs/dbraw/zinc/14/95/58/191149558.db2.gz APIMNJKYQJHFBC-PRJMDXOYSA-N 1 0 200.238 -1.746 20 0 BAADRO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000086331136 384640847 /nfs/dbraw/zinc/64/08/47/384640847.db2.gz DJPMULLDIZIYFY-BIIVOSGPSA-N 1 0 202.254 -1.500 20 0 BAADRO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000086331137 384638150 /nfs/dbraw/zinc/63/81/50/384638150.db2.gz DJPMULLDIZIYFY-PRJMDXOYSA-N 1 0 202.254 -1.500 20 0 BAADRO CCNC(=O)CC[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000086331157 535789396 /nfs/dbraw/zinc/78/93/96/535789396.db2.gz QCEPRNCZIQIXPB-OCAPTIKFSA-N 1 0 202.254 -1.450 20 0 BAADRO COC(=O)CCC[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000086331158 135081138 /nfs/dbraw/zinc/08/11/38/135081138.db2.gz LVOGMFIDYVCANX-OCAPTIKFSA-N 1 0 203.238 -1.023 20 0 BAADRO COCCOCC[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000086331306 135081191 /nfs/dbraw/zinc/08/11/91/135081191.db2.gz CPVKKJVZXMBJIP-DTORHVGOSA-N 1 0 205.254 -1.313 20 0 BAADRO CN(C)C(=O)CCC[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000086331412 487498090 /nfs/dbraw/zinc/49/80/90/487498090.db2.gz HLWINTLSDAYEDM-DTORHVGOSA-N 1 0 216.281 -1.108 20 0 BAADRO O=C1NCCCC[C@H]1[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000086331480 384640756 /nfs/dbraw/zinc/64/07/56/384640756.db2.gz MMRJHFMSRUYZCZ-HLTSFMKQSA-N 1 0 214.265 -1.308 20 0 BAADRO O=C1NCCCC[C@@H]1[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000086331482 384639438 /nfs/dbraw/zinc/63/94/38/384639438.db2.gz MMRJHFMSRUYZCZ-XHNCKOQMSA-N 1 0 214.265 -1.308 20 0 BAADRO CN(C)C(=O)CC[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000086331542 384638380 /nfs/dbraw/zinc/63/83/80/384638380.db2.gz IAUQEQZHKLRZHL-OCAPTIKFSA-N 1 0 202.254 -1.498 20 0 BAADRO CC(C)OC[C@H](O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000086331650 384640635 /nfs/dbraw/zinc/64/06/35/384640635.db2.gz JQJZWMCNBLOFSV-BBBLOLIVSA-N 1 0 219.281 -1.190 20 0 BAADRO CC(C)OC[C@@H](O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000086331651 384638172 /nfs/dbraw/zinc/63/81/72/384638172.db2.gz JQJZWMCNBLOFSV-LPEHRKFASA-N 1 0 219.281 -1.190 20 0 BAADRO CCOC[C@H](O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000086331661 384638771 /nfs/dbraw/zinc/63/87/71/384638771.db2.gz NNXABJTYDMCEHV-HLTSFMKQSA-N 1 0 205.254 -1.579 20 0 BAADRO CCOC[C@@H](O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000086331663 384640274 /nfs/dbraw/zinc/64/02/74/384640274.db2.gz NNXABJTYDMCEHV-XHNCKOQMSA-N 1 0 205.254 -1.579 20 0 BAADRO CC(C)NC(=O)CC[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000086331666 384640686 /nfs/dbraw/zinc/64/06/86/384640686.db2.gz LFVHOONVZVUVDW-DTORHVGOSA-N 1 0 216.281 -1.062 20 0 BAADRO [NH3+]CCOCC(=O)NCCN1CCOCC1 ZINC000086434220 487503056 /nfs/dbraw/zinc/50/30/56/487503056.db2.gz YERBBOPYJCAAJO-UHFFFAOYSA-N 1 0 231.296 -1.590 20 0 BAADRO CN(CC(=O)NC1CC1)C(=O)COCC[NH3+] ZINC000086434411 487503762 /nfs/dbraw/zinc/50/37/62/487503762.db2.gz CTMYPAHJYSTFOP-UHFFFAOYSA-N 1 0 229.280 -1.301 20 0 BAADRO CCN(CC(=O)NC)C(=O)COCC[NH3+] ZINC000086434412 644131835 /nfs/dbraw/zinc/13/18/35/644131835.db2.gz USJGJBNPYDNYSB-UHFFFAOYSA-N 1 0 217.269 -1.444 20 0 BAADRO CCN(CC(=O)N(C)C)C(=O)COCC[NH3+] ZINC000086434440 487504227 /nfs/dbraw/zinc/50/42/27/487504227.db2.gz GYSBOTOPWBKLHF-UHFFFAOYSA-N 1 0 231.296 -1.102 20 0 BAADRO COC(=O)[C@H](C)NC(=O)COCC[NH3+] ZINC000086434498 351119152 /nfs/dbraw/zinc/11/91/52/351119152.db2.gz RGIIRMBTQOISOF-LURJTMIESA-N 1 0 204.226 -1.361 20 0 BAADRO CCOC(=O)CNC(=O)COCC[NH3+] ZINC000086434516 351119464 /nfs/dbraw/zinc/11/94/64/351119464.db2.gz GGRZONQGCJOTMS-UHFFFAOYSA-N 1 0 204.226 -1.359 20 0 BAADRO CCNC(=O)CN(CC)C(=O)COCC[NH3+] ZINC000086434534 487504347 /nfs/dbraw/zinc/50/43/47/487504347.db2.gz AYQSDDFNLWEJAL-UHFFFAOYSA-N 1 0 231.296 -1.054 20 0 BAADRO CC(C)NC(=O)CN(C)C(=O)COCC[NH3+] ZINC000086434536 487503895 /nfs/dbraw/zinc/50/38/95/487503895.db2.gz KYVBMDPHVOWLQK-UHFFFAOYSA-N 1 0 231.296 -1.055 20 0 BAADRO CC(C)CN(CC(N)=O)C(=O)COCC[NH3+] ZINC000086434584 487504749 /nfs/dbraw/zinc/50/47/49/487504749.db2.gz CKYVURWJKLCAQS-UHFFFAOYSA-N 1 0 231.296 -1.068 20 0 BAADRO CCNC(=O)CN(C)C(=O)COCC[NH3+] ZINC000086434590 487505132 /nfs/dbraw/zinc/50/51/32/487505132.db2.gz PZYKLWYFFXITOO-UHFFFAOYSA-N 1 0 217.269 -1.444 20 0 BAADRO CCCN(CC(=O)NC)C(=O)COCC[NH3+] ZINC000086434640 487505264 /nfs/dbraw/zinc/50/52/64/487505264.db2.gz FEYUIIHQPULOHU-UHFFFAOYSA-N 1 0 231.296 -1.054 20 0 BAADRO COC(=O)CCNC(=O)COCC[NH3+] ZINC000086434745 351119230 /nfs/dbraw/zinc/11/92/30/351119230.db2.gz DUSSBYAUSZKZGL-UHFFFAOYSA-N 1 0 204.226 -1.359 20 0 BAADRO [NH3+]CCOCC(=O)NCCn1cccn1 ZINC000086434777 487505271 /nfs/dbraw/zinc/50/52/71/487505271.db2.gz RTLIHTQNDOARLF-UHFFFAOYSA-N 1 0 212.253 -1.025 20 0 BAADRO COC(=O)[C@@H](C)NC(=O)COCC[NH3+] ZINC000086434802 351119053 /nfs/dbraw/zinc/11/90/53/351119053.db2.gz RGIIRMBTQOISOF-ZCFIWIBFSA-N 1 0 204.226 -1.361 20 0 BAADRO CCCNC(=O)CCNC(=O)COCC[NH3+] ZINC000086434866 487505457 /nfs/dbraw/zinc/50/54/57/487505457.db2.gz XABANOWNULPQTR-UHFFFAOYSA-N 1 0 231.296 -1.006 20 0 BAADRO CC1(C)C(=O)NCCN1C(=O)COCC[NH3+] ZINC000086435022 644131703 /nfs/dbraw/zinc/13/17/03/644131703.db2.gz JYIVXYWLBFBBQR-UHFFFAOYSA-N 1 0 229.280 -1.301 20 0 BAADRO C[C@@H]1C(=O)NCCN1C(=O)COCC[NH3+] ZINC000086435023 487506087 /nfs/dbraw/zinc/50/60/87/487506087.db2.gz LGPKKCJWLSYDBR-SSDOTTSWSA-N 1 0 215.253 -1.691 20 0 BAADRO C[C@H]1C(=O)NCCN1C(=O)COCC[NH3+] ZINC000086435024 487506115 /nfs/dbraw/zinc/50/61/15/487506115.db2.gz LGPKKCJWLSYDBR-ZETCQYMHSA-N 1 0 215.253 -1.691 20 0 BAADRO CC[C@@H]1C(=O)NCCN1C(=O)COCC[NH3+] ZINC000086435025 487505972 /nfs/dbraw/zinc/50/59/72/487505972.db2.gz SDJNWGSCPLDACI-MRVPVSSYSA-N 1 0 229.280 -1.301 20 0 BAADRO CC[C@H]1C(=O)NCCN1C(=O)COCC[NH3+] ZINC000086435026 487506049 /nfs/dbraw/zinc/50/60/49/487506049.db2.gz SDJNWGSCPLDACI-QMMMGPOBSA-N 1 0 229.280 -1.301 20 0 BAADRO CN1CCN(C(=O)COCC[NH3+])CC1=O ZINC000086435162 487505968 /nfs/dbraw/zinc/50/59/68/487505968.db2.gz GELVIHIYASVCQF-UHFFFAOYSA-N 1 0 215.253 -1.738 20 0 BAADRO CS(=O)(=O)NCCNC(=O)CC1([NH3+])CCC1 ZINC000086853273 487570328 /nfs/dbraw/zinc/57/03/28/487570328.db2.gz SRHYNNYCAYLGJY-UHFFFAOYSA-N 1 0 249.336 -1.077 20 0 BAADRO CN(CCS(C)(=O)=O)C[C@@H]1C[NH2+]CCO1 ZINC000086854617 644192232 /nfs/dbraw/zinc/19/22/32/644192232.db2.gz OSSOTLQRZRZKHU-VIFPVBQESA-N 1 0 236.337 -1.049 20 0 BAADRO CN(CCS(C)(=O)=O)C[C@H]1C[NH2+]CCO1 ZINC000086854618 644190885 /nfs/dbraw/zinc/19/08/85/644190885.db2.gz OSSOTLQRZRZKHU-SECBINFHSA-N 1 0 236.337 -1.049 20 0 BAADRO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCNC(=O)C2)O1 ZINC000087045584 359896360 /nfs/dbraw/zinc/89/63/60/359896360.db2.gz QJUPWCPJKLGRSI-SFYZADRCSA-N 1 0 227.264 -1.549 20 0 BAADRO COC(=O)CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000087046337 343636132 /nfs/dbraw/zinc/63/61/32/343636132.db2.gz OIBKIHCZZFVRIT-RQJHMYQMSA-N 1 0 216.237 -1.218 20 0 BAADRO C[C@@H](O)[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC000087127922 364752211 /nfs/dbraw/zinc/75/22/11/364752211.db2.gz BYLNEQHTRUNFBC-NKWVEPMBSA-N 1 0 210.299 -1.106 20 0 BAADRO C[C@@H](O)[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC000087127926 364752120 /nfs/dbraw/zinc/75/21/20/364752120.db2.gz BYLNEQHTRUNFBC-RNFRBKRXSA-N 1 0 210.299 -1.106 20 0 BAADRO C[C@H](O)[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC000087127929 364752242 /nfs/dbraw/zinc/75/22/42/364752242.db2.gz BYLNEQHTRUNFBC-BQBZGAKWSA-N 1 0 210.299 -1.106 20 0 BAADRO C[C@@H]([NH2+]CCNS(C)(=O)=O)[C@H](C)O ZINC000087127932 364752358 /nfs/dbraw/zinc/75/23/58/364752358.db2.gz BYLNEQHTRUNFBC-RQJHMYQMSA-N 1 0 210.299 -1.106 20 0 BAADRO C[C@]1(CNC(=O)CNC(=O)C[NH3+])CCCO1 ZINC000087253958 135114913 /nfs/dbraw/zinc/11/49/13/135114913.db2.gz OFKBKSWWYUBSSJ-SNVBAGLBSA-N 1 0 229.280 -1.253 20 0 BAADRO C[C@@]1(CNC(=O)CNC(=O)C[NH3+])CCCO1 ZINC000087253960 135114873 /nfs/dbraw/zinc/11/48/73/135114873.db2.gz OFKBKSWWYUBSSJ-JTQLQIEISA-N 1 0 229.280 -1.253 20 0 BAADRO CN1CCO[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC000087445208 173102914 /nfs/dbraw/zinc/10/29/14/173102914.db2.gz RZSIJPASDWYQEJ-ZETCQYMHSA-N 1 0 225.252 -1.135 20 0 BAADRO O=C(C[C@@H]1COCC[NH2+]1)N1CCNC(=O)C1 ZINC000087508377 135148807 /nfs/dbraw/zinc/14/88/07/135148807.db2.gz ACUFSZHFHHEZKL-MRVPVSSYSA-N 1 0 227.264 -1.677 20 0 BAADRO O=C(C[C@H]1COCC[NH2+]1)N1CCNC(=O)C1 ZINC000087508380 135148826 /nfs/dbraw/zinc/14/88/26/135148826.db2.gz ACUFSZHFHHEZKL-QMMMGPOBSA-N 1 0 227.264 -1.677 20 0 BAADRO COC(=O)CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000087508898 135150047 /nfs/dbraw/zinc/15/00/47/135150047.db2.gz ZFDXBCNWMAWRHQ-SSDOTTSWSA-N 1 0 216.237 -1.346 20 0 BAADRO COC(=O)CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000087508900 135149861 /nfs/dbraw/zinc/14/98/61/135149861.db2.gz ZFDXBCNWMAWRHQ-ZETCQYMHSA-N 1 0 216.237 -1.346 20 0 BAADRO COCC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000087613536 388709192 /nfs/dbraw/zinc/70/91/92/388709192.db2.gz GUCQDEKIPZLBRN-MRVPVSSYSA-N 1 0 201.270 -1.266 20 0 BAADRO COCC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000087613537 388709585 /nfs/dbraw/zinc/70/95/85/388709585.db2.gz GUCQDEKIPZLBRN-QMMMGPOBSA-N 1 0 201.270 -1.266 20 0 BAADRO CC(=O)NCC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000087613598 367920072 /nfs/dbraw/zinc/92/00/72/367920072.db2.gz PUEPJJVQCSDHML-VIFPVBQESA-N 1 0 228.296 -1.776 20 0 BAADRO CC(=O)NCC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000087613599 367919779 /nfs/dbraw/zinc/91/97/79/367919779.db2.gz PUEPJJVQCSDHML-SECBINFHSA-N 1 0 228.296 -1.776 20 0 BAADRO CN(C)S(=O)(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000087613644 367920008 /nfs/dbraw/zinc/92/00/08/367920008.db2.gz KMQLEXLDXOSPQX-MRVPVSSYSA-N 1 0 236.341 -1.633 20 0 BAADRO CCS(=O)(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000087613652 410089231 /nfs/dbraw/zinc/08/92/31/410089231.db2.gz WQXPSLHSYIZEQT-QMMMGPOBSA-N 1 0 221.326 -1.089 20 0 BAADRO CN1CCN(S(C)(=O)=O)[C@H](C[NH3+])C1 ZINC000087613659 367920348 /nfs/dbraw/zinc/92/03/48/367920348.db2.gz OXUDVXPZKOCFDW-SSDOTTSWSA-N 1 0 207.299 -1.479 20 0 BAADRO O=C(N[C@@H]1CCOC1)[C@@H]1C[NH2+]CCO1 ZINC000087785430 487685798 /nfs/dbraw/zinc/68/57/98/487685798.db2.gz WLQMCJWPIMDMLR-SFYZADRCSA-N 1 0 200.238 -1.120 20 0 BAADRO O=C(N[C@H]1CCOC1)[C@@H]1C[NH2+]CCO1 ZINC000087785432 487685522 /nfs/dbraw/zinc/68/55/22/487685522.db2.gz WLQMCJWPIMDMLR-YUMQZZPRSA-N 1 0 200.238 -1.120 20 0 BAADRO O=C(N[C@@H]1CCOC1)[C@H]1C[NH2+]CCO1 ZINC000087785435 385003697 /nfs/dbraw/zinc/00/36/97/385003697.db2.gz WLQMCJWPIMDMLR-HTQZYQBOSA-N 1 0 200.238 -1.120 20 0 BAADRO O=C(N[C@H]1CCOC1)[C@H]1C[NH2+]CCO1 ZINC000087785437 385002985 /nfs/dbraw/zinc/00/29/85/385002985.db2.gz WLQMCJWPIMDMLR-JGVFFNPUSA-N 1 0 200.238 -1.120 20 0 BAADRO O=C(CN1CC[NH2+]CC1)N1CCCNC(=O)C1 ZINC000087885895 644504285 /nfs/dbraw/zinc/50/42/85/644504285.db2.gz VKYZTVODMQMODF-UHFFFAOYSA-N 1 0 240.307 -1.760 20 0 BAADRO COC[C@H]([NH3+])C(=O)N1CCNC(=O)C1 ZINC000088002451 351483089 /nfs/dbraw/zinc/48/30/89/351483089.db2.gz ZNWYXKOSANKYLY-LURJTMIESA-N 1 0 201.226 -2.082 20 0 BAADRO COC[C@@H]([NH3+])C(=O)NCC(=O)NC(C)(C)C ZINC000088002786 351480982 /nfs/dbraw/zinc/48/09/82/351480982.db2.gz HXONCIUHEMTORH-SSDOTTSWSA-N 1 0 231.296 -1.009 20 0 BAADRO COC[C@H]([NH3+])C(=O)NCC(=O)NC(C)(C)C ZINC000088002787 133543493 /nfs/dbraw/zinc/54/34/93/133543493.db2.gz HXONCIUHEMTORH-ZETCQYMHSA-N 1 0 231.296 -1.009 20 0 BAADRO COC[C@H]([NH3+])C(=O)N(C)CC(=O)NC1CC1 ZINC000088002939 133543668 /nfs/dbraw/zinc/54/36/68/133543668.db2.gz ICKCMRRXSBFBME-QMMMGPOBSA-N 1 0 229.280 -1.303 20 0 BAADRO CCN(CC(=O)NC)C(=O)[C@@H]([NH3+])COC ZINC000088002941 641221472 /nfs/dbraw/zinc/22/14/72/641221472.db2.gz JDFSHHVHWKCUCT-ZETCQYMHSA-N 1 0 217.269 -1.445 20 0 BAADRO COC[C@@H]([NH3+])C(=O)N(CC(N)=O)C(C)C ZINC000088002942 343689547 /nfs/dbraw/zinc/68/95/47/343689547.db2.gz XHAXJAFNAIFBAT-SSDOTTSWSA-N 1 0 217.269 -1.318 20 0 BAADRO COC[C@H]([NH3+])C(=O)N(CC(N)=O)C(C)C ZINC000088002943 133543471 /nfs/dbraw/zinc/54/34/71/133543471.db2.gz XHAXJAFNAIFBAT-ZETCQYMHSA-N 1 0 217.269 -1.318 20 0 BAADRO CCN(CC(=O)N(C)C)C(=O)[C@@H]([NH3+])COC ZINC000088002997 487697766 /nfs/dbraw/zinc/69/77/66/487697766.db2.gz JVAVTLKUOVTQGE-QMMMGPOBSA-N 1 0 231.296 -1.103 20 0 BAADRO COC[C@@H]([NH3+])C(=O)N[C@@H](C)C(=O)OC ZINC000088003109 384949287 /nfs/dbraw/zinc/94/92/87/384949287.db2.gz PCFWGVJUYBRTFX-NTSWFWBYSA-N 1 0 204.226 -1.362 20 0 BAADRO COC[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)OC ZINC000088003110 136282700 /nfs/dbraw/zinc/28/27/00/136282700.db2.gz PCFWGVJUYBRTFX-WDSKDSINSA-N 1 0 204.226 -1.362 20 0 BAADRO CCOC(=O)CNC(=O)[C@H]([NH3+])COC ZINC000088003151 136282610 /nfs/dbraw/zinc/28/26/10/136282610.db2.gz GKHZCRZCDPLJRA-ZCFIWIBFSA-N 1 0 204.226 -1.361 20 0 BAADRO CCNC(=O)CN(CC)C(=O)[C@H]([NH3+])COC ZINC000088003193 136282713 /nfs/dbraw/zinc/28/27/13/136282713.db2.gz NPCBYVDDBWMUKP-MRVPVSSYSA-N 1 0 231.296 -1.055 20 0 BAADRO CCNC(=O)CN(CC)C(=O)[C@@H]([NH3+])COC ZINC000088003194 136282518 /nfs/dbraw/zinc/28/25/18/136282518.db2.gz NPCBYVDDBWMUKP-QMMMGPOBSA-N 1 0 231.296 -1.055 20 0 BAADRO COC[C@@H]([NH3+])C(=O)N(C)CC(=O)NC(C)C ZINC000088003197 136282548 /nfs/dbraw/zinc/28/25/48/136282548.db2.gz HCWAFIMXXHEWPU-MRVPVSSYSA-N 1 0 231.296 -1.057 20 0 BAADRO COC[C@H]([NH3+])C(=O)N(C)CC(=O)NC(C)C ZINC000088003198 136282574 /nfs/dbraw/zinc/28/25/74/136282574.db2.gz HCWAFIMXXHEWPU-QMMMGPOBSA-N 1 0 231.296 -1.057 20 0 BAADRO COC[C@@H]([NH3+])C(=O)NCCC(=O)OC ZINC000088003678 136282956 /nfs/dbraw/zinc/28/29/56/136282956.db2.gz UFSUWBUOXZKJGK-ZCFIWIBFSA-N 1 0 204.226 -1.361 20 0 BAADRO COC[C@H]([NH3+])C(=O)NCCn1cccn1 ZINC000088003761 536863887 /nfs/dbraw/zinc/86/38/87/536863887.db2.gz DTCJEHCNSVSGIC-QMMMGPOBSA-N 1 0 212.253 -1.027 20 0 BAADRO COC[C@@H]([NH3+])C(=O)N[C@H](C)C(=O)OC ZINC000088003819 384950090 /nfs/dbraw/zinc/95/00/90/384950090.db2.gz PCFWGVJUYBRTFX-PHDIDXHHSA-N 1 0 204.226 -1.362 20 0 BAADRO COC[C@H]([NH3+])C(=O)N[C@H](C)C(=O)OC ZINC000088003820 343690101 /nfs/dbraw/zinc/69/01/01/343690101.db2.gz PCFWGVJUYBRTFX-RITPCOANSA-N 1 0 204.226 -1.362 20 0 BAADRO CCCNC(=O)CCNC(=O)[C@H]([NH3+])COC ZINC000088003957 535043042 /nfs/dbraw/zinc/04/30/42/535043042.db2.gz STAOKJNSJVWNMU-MRVPVSSYSA-N 1 0 231.296 -1.007 20 0 BAADRO CCCNC(=O)CCNC(=O)[C@@H]([NH3+])COC ZINC000088003958 535042453 /nfs/dbraw/zinc/04/24/53/535042453.db2.gz STAOKJNSJVWNMU-QMMMGPOBSA-N 1 0 231.296 -1.007 20 0 BAADRO CS(=O)(=O)NCCNC(=O)C1([NH3+])CCC1 ZINC000088050361 487696912 /nfs/dbraw/zinc/69/69/12/487696912.db2.gz UCHJJQHCXLRSDK-UHFFFAOYSA-N 1 0 235.309 -1.467 20 0 BAADRO O=S(=O)(NCc1ccon1)N1CC[NH2+]CC1 ZINC000088053921 631487505 /nfs/dbraw/zinc/48/75/05/631487505.db2.gz HXEBMMKLGGOUTG-UHFFFAOYSA-N 1 0 246.292 -1.086 20 0 BAADRO O=C(C1C[NH2+]C1)N1CCO[C@H](CO)C1 ZINC000088092094 383877846 /nfs/dbraw/zinc/87/78/46/383877846.db2.gz KAUXURUNWCVJJH-QMMMGPOBSA-N 1 0 200.238 -1.575 20 0 BAADRO O=C(C1C[NH2+]C1)N1CCO[C@@H](CO)C1 ZINC000088092095 386078964 /nfs/dbraw/zinc/07/89/64/386078964.db2.gz KAUXURUNWCVJJH-MRVPVSSYSA-N 1 0 200.238 -1.575 20 0 BAADRO CNC(=O)CN1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000088130350 641317428 /nfs/dbraw/zinc/31/74/28/641317428.db2.gz JYJRFZRLVLYYOJ-UHFFFAOYSA-N 1 0 240.307 -1.632 20 0 BAADRO COCC(=O)N1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000088130510 359938660 /nfs/dbraw/zinc/93/86/60/359938660.db2.gz FTWHKFDMCNYETF-UHFFFAOYSA-N 1 0 241.291 -1.205 20 0 BAADRO CNC(=O)NC(=O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088300982 359946561 /nfs/dbraw/zinc/94/65/61/359946561.db2.gz LDYBFWCZGAVMGN-OCAPTIKFSA-N 1 0 226.280 -1.407 20 0 BAADRO CNC(=O)NC(=O)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088300984 356660811 /nfs/dbraw/zinc/66/08/11/356660811.db2.gz LDYBFWCZGAVMGN-HTQZYQBOSA-N 1 0 226.280 -1.407 20 0 BAADRO CNC(=O)NC(=O)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000088300985 356660758 /nfs/dbraw/zinc/66/07/58/356660758.db2.gz LDYBFWCZGAVMGN-YUMQZZPRSA-N 1 0 226.280 -1.407 20 0 BAADRO C[C@@H](C(=O)NC(N)=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088300987 359947198 /nfs/dbraw/zinc/94/71/98/359947198.db2.gz MKHNKCYOGMEXML-BIIVOSGPSA-N 1 0 226.280 -1.279 20 0 BAADRO C[C@H](C(=O)NC(N)=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088300990 359946670 /nfs/dbraw/zinc/94/66/70/359946670.db2.gz MKHNKCYOGMEXML-PRJMDXOYSA-N 1 0 226.280 -1.279 20 0 BAADRO C[C@H](C(=O)NC(N)=O)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088300995 356660642 /nfs/dbraw/zinc/66/06/42/356660642.db2.gz MKHNKCYOGMEXML-BWZBUEFSSA-N 1 0 226.280 -1.279 20 0 BAADRO CCNC(=O)CN(CC)C(=O)[C@@H]1COCCN1 ZINC000088370404 359948693 /nfs/dbraw/zinc/94/86/93/359948693.db2.gz WLXWPQWMWNEGEJ-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO CCNC(=O)CN(CC)C(=O)[C@H]1COCCN1 ZINC000088370405 359948308 /nfs/dbraw/zinc/94/83/08/359948308.db2.gz WLXWPQWMWNEGEJ-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO CC(C)NC(=O)CN(C)C(=O)[C@@H]1COCCN1 ZINC000088370442 359948612 /nfs/dbraw/zinc/94/86/12/359948612.db2.gz SLXXGTAXCZTKEE-VIFPVBQESA-N 1 0 243.307 -1.042 20 0 BAADRO COCC[N@H+](C)CCNC(=O)[C@@H]1COCCN1 ZINC000088372290 359949870 /nfs/dbraw/zinc/94/98/70/359949870.db2.gz FSGZPJLVPJTPJA-JTQLQIEISA-N 1 0 245.323 -1.331 20 0 BAADRO COCC[N@H+](C)CCNC(=O)[C@H]1COCCN1 ZINC000088372291 359949777 /nfs/dbraw/zinc/94/97/77/359949777.db2.gz FSGZPJLVPJTPJA-SNVBAGLBSA-N 1 0 245.323 -1.331 20 0 BAADRO CC[NH+](CC)CC(=O)N[C@@H](COC)C(N)=O ZINC000089391366 644548986 /nfs/dbraw/zinc/54/89/86/644548986.db2.gz UTQABNLDPRDXJC-QMMMGPOBSA-N 1 0 231.296 -1.055 20 0 BAADRO CC[NH+](CC)CC(=O)N[C@H](COC)C(N)=O ZINC000089391369 644547990 /nfs/dbraw/zinc/54/79/90/644547990.db2.gz UTQABNLDPRDXJC-MRVPVSSYSA-N 1 0 231.296 -1.055 20 0 BAADRO C[C@](O)(CO)C[NH2+]C[C@H](O)CN1CCOCC1 ZINC000090288071 368976989 /nfs/dbraw/zinc/97/69/89/368976989.db2.gz CQKHTWZFNCUUHZ-WDEREUQCSA-N 1 0 248.323 -1.988 20 0 BAADRO C[C@@](O)(CO)C[NH2+]C[C@H](O)CN1CCOCC1 ZINC000090288072 368976939 /nfs/dbraw/zinc/97/69/39/368976939.db2.gz CQKHTWZFNCUUHZ-QWRGUYRKSA-N 1 0 248.323 -1.988 20 0 BAADRO C[C@](O)(CO)C[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000090288073 368977591 /nfs/dbraw/zinc/97/75/91/368977591.db2.gz CQKHTWZFNCUUHZ-GHMZBOCLSA-N 1 0 248.323 -1.988 20 0 BAADRO C[C@@](O)(CO)C[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000090288074 368977223 /nfs/dbraw/zinc/97/72/23/368977223.db2.gz CQKHTWZFNCUUHZ-MNOVXSKESA-N 1 0 248.323 -1.988 20 0 BAADRO CN(Cc1cc(=O)n(C)c(=O)n1C)C1C[NH2+]C1 ZINC000090290364 643146164 /nfs/dbraw/zinc/14/61/64/643146164.db2.gz QMHONUPCNCHWHA-UHFFFAOYSA-N 1 0 238.291 -1.512 20 0 BAADRO CN(C)c1nc(N)nc(CN(C)C2C[NH2+]C2)n1 ZINC000090290529 487927459 /nfs/dbraw/zinc/92/74/59/487927459.db2.gz SUGBYGGMRFOIGE-UHFFFAOYSA-N 1 0 237.311 -1.077 20 0 BAADRO O=c1n(C[C@@H]2C[NH2+]CCO2)nc2cnccn21 ZINC000090695099 487987253 /nfs/dbraw/zinc/98/72/53/487987253.db2.gz HILRWYBSWOZTAQ-QMMMGPOBSA-N 1 0 235.247 -1.121 20 0 BAADRO O=c1n(C[C@H]2C[NH2+]CCO2)nc2cnccn21 ZINC000090695100 487987109 /nfs/dbraw/zinc/98/71/09/487987109.db2.gz HILRWYBSWOZTAQ-MRVPVSSYSA-N 1 0 235.247 -1.121 20 0 BAADRO CN(C)C(=O)CN(C)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000091299360 172362976 /nfs/dbraw/zinc/36/29/76/172362976.db2.gz UXIZYGMQIDMRBG-SECBINFHSA-N 1 0 243.307 -1.089 20 0 BAADRO CN(C)C(=O)CN(C)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000091299361 172362634 /nfs/dbraw/zinc/36/26/34/172362634.db2.gz UXIZYGMQIDMRBG-VIFPVBQESA-N 1 0 243.307 -1.089 20 0 BAADRO CCN(CC(=O)NC)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000091299460 631892140 /nfs/dbraw/zinc/89/21/40/631892140.db2.gz OPYPUQHGUMFKFF-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO CCN(CC(=O)NC)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000091299461 631892647 /nfs/dbraw/zinc/89/26/47/631892647.db2.gz OPYPUQHGUMFKFF-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO C[C@H](NC(=O)C[C@@H]1C[NH2+]CCO1)C(=O)N(C)C ZINC000091299496 488040771 /nfs/dbraw/zinc/04/07/71/488040771.db2.gz BAVGGKWEBNRPKD-DTWKUNHWSA-N 1 0 243.307 -1.042 20 0 BAADRO C[C@@H](NC(=O)C[C@@H]1C[NH2+]CCO1)C(=O)N(C)C ZINC000091299497 369009054 /nfs/dbraw/zinc/00/90/54/369009054.db2.gz BAVGGKWEBNRPKD-RKDXNWHRSA-N 1 0 243.307 -1.042 20 0 BAADRO C[C@H](NC(=O)C[C@H]1C[NH2+]CCO1)C(=O)N(C)C ZINC000091299498 488040879 /nfs/dbraw/zinc/04/08/79/488040879.db2.gz BAVGGKWEBNRPKD-IUCAKERBSA-N 1 0 243.307 -1.042 20 0 BAADRO C[C@@H](NC(=O)C[C@H]1C[NH2+]CCO1)C(=O)N(C)C ZINC000091299499 369009067 /nfs/dbraw/zinc/00/90/67/369009067.db2.gz BAVGGKWEBNRPKD-BDAKNGLRSA-N 1 0 243.307 -1.042 20 0 BAADRO CCNC(=O)CN(C)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000091301262 488040758 /nfs/dbraw/zinc/04/07/58/488040758.db2.gz REQQRYGQHIGDFD-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO CCNC(=O)CN(C)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000091301263 488040595 /nfs/dbraw/zinc/04/05/95/488040595.db2.gz REQQRYGQHIGDFD-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO C[C@@H]1C(=O)NCCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000091312199 176045491 /nfs/dbraw/zinc/04/54/91/176045491.db2.gz DVPXDLWEONCMGS-RKDXNWHRSA-N 1 0 241.291 -1.288 20 0 BAADRO C[C@H]1C(=O)NCCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000091312201 177058601 /nfs/dbraw/zinc/05/86/01/177058601.db2.gz DVPXDLWEONCMGS-DTWKUNHWSA-N 1 0 241.291 -1.288 20 0 BAADRO C[C@@H]1C(=O)NCCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000091312203 176045289 /nfs/dbraw/zinc/04/52/89/176045289.db2.gz DVPXDLWEONCMGS-BDAKNGLRSA-N 1 0 241.291 -1.288 20 0 BAADRO C[C@H]1C(=O)NCCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000091312205 177058624 /nfs/dbraw/zinc/05/86/24/177058624.db2.gz DVPXDLWEONCMGS-IUCAKERBSA-N 1 0 241.291 -1.288 20 0 BAADRO CN1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1=O ZINC000091312807 344279461 /nfs/dbraw/zinc/27/94/61/344279461.db2.gz ZIZSQARXNZOKOT-SECBINFHSA-N 1 0 241.291 -1.335 20 0 BAADRO CN1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1=O ZINC000091312810 344279575 /nfs/dbraw/zinc/27/95/75/344279575.db2.gz ZIZSQARXNZOKOT-VIFPVBQESA-N 1 0 241.291 -1.335 20 0 BAADRO C[NH+](C)[C@@H]1CCCN(C(=O)CNC(=O)C[NH3+])C1 ZINC000091395547 386297295 /nfs/dbraw/zinc/29/72/95/386297295.db2.gz BMNJTWZHIPAAMM-SECBINFHSA-N 1 0 242.323 -1.386 20 0 BAADRO C[NH+](C)[C@H]1CCCN(C(=O)CNC(=O)C[NH3+])C1 ZINC000091395548 386295872 /nfs/dbraw/zinc/29/58/72/386295872.db2.gz BMNJTWZHIPAAMM-VIFPVBQESA-N 1 0 242.323 -1.386 20 0 BAADRO COCC(=O)N1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000091408594 174043371 /nfs/dbraw/zinc/04/33/71/174043371.db2.gz GAULMEFJUAPRGA-UHFFFAOYSA-N 1 0 241.291 -1.477 20 0 BAADRO COCCCNC(=O)CN(C)C(=O)C1C[NH2+]C1 ZINC000091409285 174238518 /nfs/dbraw/zinc/23/85/18/174238518.db2.gz UIPCMIYCCBQYIH-UHFFFAOYSA-N 1 0 243.307 -1.183 20 0 BAADRO COCCN(CC(=O)N(C)C)C(=O)C1C[NH2+]C1 ZINC000091410426 174284788 /nfs/dbraw/zinc/28/47/88/174284788.db2.gz BIQUFBIXKSHLSK-UHFFFAOYSA-N 1 0 243.307 -1.231 20 0 BAADRO CON(C)C(=O)CN(CCO)CCCO ZINC000091575234 643331036 /nfs/dbraw/zinc/33/10/36/643331036.db2.gz SKLKDOFLPYEHJM-UHFFFAOYSA-N 1 0 220.269 -1.317 20 0 BAADRO O=C([C@@H]1CCC[NH2+]1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000091755175 386305928 /nfs/dbraw/zinc/30/59/28/386305928.db2.gz OJQPBKGHUUCKPR-BDAKNGLRSA-N 1 0 238.291 -1.026 20 0 BAADRO O=C([C@@H]1CCC[NH2+]1)N1CCN2C(=O)NC[C@H]2C1 ZINC000091755176 386305379 /nfs/dbraw/zinc/30/53/79/386305379.db2.gz OJQPBKGHUUCKPR-IUCAKERBSA-N 1 0 238.291 -1.026 20 0 BAADRO O=C([C@H]1CCC[NH2+]1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000091755230 386306897 /nfs/dbraw/zinc/30/68/97/386306897.db2.gz OJQPBKGHUUCKPR-RKDXNWHRSA-N 1 0 238.291 -1.026 20 0 BAADRO O=C([C@H]1CCC[NH2+]1)N1CCN2C(=O)NC[C@H]2C1 ZINC000091755232 386305173 /nfs/dbraw/zinc/30/51/73/386305173.db2.gz OJQPBKGHUUCKPR-DTWKUNHWSA-N 1 0 238.291 -1.026 20 0 BAADRO O=C(C[NH2+]C1CC1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000091755589 369019072 /nfs/dbraw/zinc/01/90/72/369019072.db2.gz AJISOEYQUCFULG-SECBINFHSA-N 1 0 238.291 -1.026 20 0 BAADRO O=C(C[NH2+]C1CC1)N1CCN2C(=O)NC[C@H]2C1 ZINC000091755592 369018952 /nfs/dbraw/zinc/01/89/52/369018952.db2.gz AJISOEYQUCFULG-VIFPVBQESA-N 1 0 238.291 -1.026 20 0 BAADRO COCCN1CCN(CCOCCO)CC1=O ZINC000091830605 360131895 /nfs/dbraw/zinc/13/18/95/360131895.db2.gz NQUYOQHMPZSZPK-UHFFFAOYSA-N 1 0 246.307 -1.214 20 0 BAADRO CNC(=O)CCN1CCN(CCOC)C(=O)C1 ZINC000091831947 360131876 /nfs/dbraw/zinc/13/18/76/360131876.db2.gz DECBWZGRIYUQTQ-UHFFFAOYSA-N 1 0 243.307 -1.087 20 0 BAADRO COCCN1CCN(C[C@H](O)COC)CC1=O ZINC000091832434 360132031 /nfs/dbraw/zinc/13/20/31/360132031.db2.gz PUALEGLWZXXUFV-JTQLQIEISA-N 1 0 246.307 -1.216 20 0 BAADRO COCCN1CCN(C[C@@H](O)COC)CC1=O ZINC000091832435 360131798 /nfs/dbraw/zinc/13/17/98/360131798.db2.gz PUALEGLWZXXUFV-SNVBAGLBSA-N 1 0 246.307 -1.216 20 0 BAADRO COCC[NH2+]CC(=O)NCCN1CCOCC1 ZINC000092495156 174331215 /nfs/dbraw/zinc/33/12/15/174331215.db2.gz IKJQRWRUZGUZAJ-UHFFFAOYSA-N 1 0 245.323 -1.329 20 0 BAADRO COCC[NH2+]CC(=O)N1CCN(CCO)CC1 ZINC000092495186 174331411 /nfs/dbraw/zinc/33/14/11/174331411.db2.gz PIGYHAQLWAZIBP-UHFFFAOYSA-N 1 0 245.323 -1.641 20 0 BAADRO CNC(=O)[C@@H]1CCCN1C(=O)C[NH2+]CCOC ZINC000092496068 173298197 /nfs/dbraw/zinc/29/81/97/173298197.db2.gz QJJHYZGTNBYEMA-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO CNC(=O)[C@H]1CCCN1C(=O)C[NH2+]CCOC ZINC000092496069 173306692 /nfs/dbraw/zinc/30/66/92/173306692.db2.gz QJJHYZGTNBYEMA-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO CC[C@@H]1C(=O)NCCN1C(=O)C[NH2+]CCOC ZINC000092510175 353433358 /nfs/dbraw/zinc/43/33/58/353433358.db2.gz CYTAYQOTWNCYAD-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO CC[C@H]1C(=O)NCCN1C(=O)C[NH2+]CCOC ZINC000092510177 386381094 /nfs/dbraw/zinc/38/10/94/386381094.db2.gz CYTAYQOTWNCYAD-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO [NH3+]C1CCN(CC(=O)N2CCNC(=O)C2)CC1 ZINC000092713533 181344024 /nfs/dbraw/zinc/34/40/24/181344024.db2.gz KQXVWTZLQAVCNU-UHFFFAOYSA-N 1 0 240.307 -1.632 20 0 BAADRO [NH3+]CCOCC(=O)NCCCN1CCOCC1 ZINC000093230596 488144710 /nfs/dbraw/zinc/14/47/10/488144710.db2.gz NLBAKPHVVNPIAQ-UHFFFAOYSA-N 1 0 245.323 -1.200 20 0 BAADRO C[C@@H](CN1CCOCC1)NC(=O)COCC[NH3+] ZINC000093230749 488144169 /nfs/dbraw/zinc/14/41/69/488144169.db2.gz QWERQOVNZYOOHT-JTQLQIEISA-N 1 0 245.323 -1.201 20 0 BAADRO C[C@H](CN1CCOCC1)NC(=O)COCC[NH3+] ZINC000093230750 488144375 /nfs/dbraw/zinc/14/43/75/488144375.db2.gz QWERQOVNZYOOHT-SNVBAGLBSA-N 1 0 245.323 -1.201 20 0 BAADRO C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000094571937 176046403 /nfs/dbraw/zinc/04/64/03/176046403.db2.gz OOSCIOSSDOHRGW-HLTSFMKQSA-N 1 0 241.291 -1.160 20 0 BAADRO C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000094571938 177059705 /nfs/dbraw/zinc/05/97/05/177059705.db2.gz OOSCIOSSDOHRGW-YIZRAAEISA-N 1 0 241.291 -1.160 20 0 BAADRO CN1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1=O ZINC000094572547 343156584 /nfs/dbraw/zinc/15/65/84/343156584.db2.gz QJLNPKODZVRFJW-BDAKNGLRSA-N 1 0 241.291 -1.207 20 0 BAADRO CN(CCOCC1CC1)C(=O)CNC(=O)C[NH3+] ZINC000094988416 172763332 /nfs/dbraw/zinc/76/33/32/172763332.db2.gz NHENDDKWKIJOEW-UHFFFAOYSA-N 1 0 243.307 -1.054 20 0 BAADRO COCCCC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000095036710 343154465 /nfs/dbraw/zinc/15/44/65/343154465.db2.gz DEDDSXUCEVFJKA-UHFFFAOYSA-N 1 0 243.307 -1.039 20 0 BAADRO C[NH+]1CCN(CCNC(=O)c2nnc[nH]2)CC1 ZINC000095039489 631584515 /nfs/dbraw/zinc/58/45/15/631584515.db2.gz UQOWLNWBDMYSRY-UHFFFAOYSA-N 1 0 238.295 -1.218 20 0 BAADRO COCC[NH+](CCOC)C[C@H](O)CO ZINC000096697000 644832311 /nfs/dbraw/zinc/83/23/11/644832311.db2.gz ORPOSTUEIMMBGE-VIFPVBQESA-N 1 0 207.270 -1.066 20 0 BAADRO COCC[NH+](CCOC)C[C@@H](O)CO ZINC000096697002 644832816 /nfs/dbraw/zinc/83/28/16/644832816.db2.gz ORPOSTUEIMMBGE-SECBINFHSA-N 1 0 207.270 -1.066 20 0 BAADRO COC(=O)[C@@H]1CN(CCOCCO)CCO1 ZINC000096832890 350682423 /nfs/dbraw/zinc/68/24/23/350682423.db2.gz IMFSSJNCDCEZTK-VIFPVBQESA-N 1 0 233.264 -1.131 20 0 BAADRO COC(=O)[C@H]1CN(CCOCCO)CCO1 ZINC000096832891 350682926 /nfs/dbraw/zinc/68/29/26/350682926.db2.gz IMFSSJNCDCEZTK-SECBINFHSA-N 1 0 233.264 -1.131 20 0 BAADRO C[C@@H](C(=O)NC(N)=O)N(C)CC(=O)N(C)C ZINC000096954322 386620583 /nfs/dbraw/zinc/62/05/83/386620583.db2.gz VERDIIPTYCIULW-LURJTMIESA-N 1 0 230.268 -1.410 20 0 BAADRO C[C@H](C(=O)NC(N)=O)N(C)CC(=O)N(C)C ZINC000096954323 386620168 /nfs/dbraw/zinc/62/01/68/386620168.db2.gz VERDIIPTYCIULW-ZCFIWIBFSA-N 1 0 230.268 -1.410 20 0 BAADRO C[C@H](NC(=O)COC1(C)C[NH2+]C1)C(=O)N(C)C ZINC000098061021 487719255 /nfs/dbraw/zinc/71/92/55/487719255.db2.gz ZTRVJBWUHJAONV-QMMMGPOBSA-N 1 0 243.307 -1.042 20 0 BAADRO C[C@@H](NC(=O)COC1(C)C[NH2+]C1)C(=O)N(C)C ZINC000098061022 487719520 /nfs/dbraw/zinc/71/95/20/487719520.db2.gz ZTRVJBWUHJAONV-MRVPVSSYSA-N 1 0 243.307 -1.042 20 0 BAADRO CN(C)C(=O)CCNC(=O)COC1(C)C[NH2+]C1 ZINC000098061093 487719439 /nfs/dbraw/zinc/71/94/39/487719439.db2.gz PNDUKPGYQLZQKE-UHFFFAOYSA-N 1 0 243.307 -1.041 20 0 BAADRO CCNC(=O)CN(C)C(=O)COC1(C)C[NH2+]C1 ZINC000098061183 487718774 /nfs/dbraw/zinc/71/87/74/487718774.db2.gz ZKBFTXYRDSVREM-UHFFFAOYSA-N 1 0 243.307 -1.041 20 0 BAADRO C[C@@H]1C(=O)NCCN1C(=O)COC1(C)C[NH2+]C1 ZINC000098061310 487718744 /nfs/dbraw/zinc/71/87/44/487718744.db2.gz ZMFYAJMSBBOQOI-MRVPVSSYSA-N 1 0 241.291 -1.288 20 0 BAADRO C[C@H]1C(=O)NCCN1C(=O)COC1(C)C[NH2+]C1 ZINC000098061311 487719337 /nfs/dbraw/zinc/71/93/37/487719337.db2.gz ZMFYAJMSBBOQOI-QMMMGPOBSA-N 1 0 241.291 -1.288 20 0 BAADRO CC1(OCC(=O)NC[C@@H]2CCC(=O)N2)C[NH2+]C1 ZINC000098061390 487719309 /nfs/dbraw/zinc/71/93/09/487719309.db2.gz MZXJCILDGCOHTN-QMMMGPOBSA-N 1 0 241.291 -1.240 20 0 BAADRO CN1CCN(C(=O)COC2(C)C[NH2+]C2)CC1=O ZINC000098061422 487719225 /nfs/dbraw/zinc/71/92/25/487719225.db2.gz DMNAVYZKSNINMI-UHFFFAOYSA-N 1 0 241.291 -1.335 20 0 BAADRO CN1CCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC000098193006 487603475 /nfs/dbraw/zinc/60/34/75/487603475.db2.gz LGTUUALTKFGFSB-MRVPVSSYSA-N 1 0 211.265 -1.104 20 0 BAADRO CN1C[C@@H](C(=O)N2CC[NH2+]CC2)NC1=O ZINC000098193457 487573718 /nfs/dbraw/zinc/57/37/18/487573718.db2.gz JBQDEVWADWPYFN-ZETCQYMHSA-N 1 0 212.253 -1.558 20 0 BAADRO CN1C(=O)C[C@@H]([NH2+]CCN2CCOCC2)C1=O ZINC000102664726 384722482 /nfs/dbraw/zinc/72/24/82/384722482.db2.gz WSRPZNICXJKAES-SECBINFHSA-N 1 0 241.291 -1.335 20 0 BAADRO CC(=O)NCC[NH2+][C@H]1CC(=O)N(C)C1=O ZINC000102665046 385404194 /nfs/dbraw/zinc/40/41/94/385404194.db2.gz VBARWENXUMPPLZ-ZETCQYMHSA-N 1 0 213.237 -1.531 20 0 BAADRO O=C1C[C@H]([NH2+]CCN2CCOCC2)C(=O)N1 ZINC000102669314 397976665 /nfs/dbraw/zinc/97/66/65/397976665.db2.gz XKNSZOYUFIEABW-QMMMGPOBSA-N 1 0 227.264 -1.677 20 0 BAADRO COCC[N@H+](C)CCCNS(N)(=O)=O ZINC000102713366 174276023 /nfs/dbraw/zinc/27/60/23/174276023.db2.gz HCUMVJGJYMVSCZ-UHFFFAOYSA-N 1 0 225.314 -1.252 20 0 BAADRO CNC(=O)[C@@H]1CCC[N@@H+]1CCC(=O)NC(N)=O ZINC000103469781 173298874 /nfs/dbraw/zinc/29/88/74/173298874.db2.gz AWENUFWRZWAQHL-ZETCQYMHSA-N 1 0 242.279 -1.218 20 0 BAADRO CNC(=O)[C@H]1CCC[N@@H+]1CCC(=O)NC(N)=O ZINC000103469783 173307422 /nfs/dbraw/zinc/30/74/22/173307422.db2.gz AWENUFWRZWAQHL-SSDOTTSWSA-N 1 0 242.279 -1.218 20 0 BAADRO CC[C@@H]1C(=O)NCCN1C(=O)CNC(=O)C[NH3+] ZINC000104126936 344454043 /nfs/dbraw/zinc/45/40/43/344454043.db2.gz HJYPSDQSZANGJB-SSDOTTSWSA-N 1 0 242.279 -2.202 20 0 BAADRO C[C@H]([C@H](C)NS(N)(=O)=O)N1CCOCC1 ZINC000104758034 384707516 /nfs/dbraw/zinc/70/75/16/384707516.db2.gz SZWUBXKOUQQOIG-JGVFFNPUSA-N 1 0 237.325 -1.111 20 0 BAADRO C[C@@H](NS(N)(=O)=O)[C@@H](C)N1CCOCC1 ZINC000104758038 384708786 /nfs/dbraw/zinc/70/87/86/384708786.db2.gz SZWUBXKOUQQOIG-HTQZYQBOSA-N 1 0 237.325 -1.111 20 0 BAADRO C[C@H](NS(N)(=O)=O)[C@H](C)N1CCOCC1 ZINC000104758041 384709509 /nfs/dbraw/zinc/70/95/09/384709509.db2.gz SZWUBXKOUQQOIG-YUMQZZPRSA-N 1 0 237.325 -1.111 20 0 BAADRO COCCN(CC[NH+](C)C)S(N)(=O)=O ZINC000104771826 174291623 /nfs/dbraw/zinc/29/16/23/174291623.db2.gz MLDXEGXXOGNBJX-UHFFFAOYSA-N 1 0 225.314 -1.300 20 0 BAADRO COCCN(CCO)CC(=O)N1CCOCC1 ZINC000104957911 174292923 /nfs/dbraw/zinc/29/29/23/174292923.db2.gz SZXIHBSBNWJFHR-UHFFFAOYSA-N 1 0 246.307 -1.214 20 0 BAADRO COC(=O)CNC(=O)CN1CCC[C@H]1CO ZINC000104960827 384725759 /nfs/dbraw/zinc/72/57/59/384725759.db2.gz FLNXPYQIQPNMOT-QMMMGPOBSA-N 1 0 230.264 -1.268 20 0 BAADRO COCC[NH2+]CC(=O)N1CCN(C(C)=O)CC1 ZINC000105899701 174331022 /nfs/dbraw/zinc/33/10/22/174331022.db2.gz PAWRFOUTOMNRET-UHFFFAOYSA-N 1 0 243.307 -1.087 20 0 BAADRO COCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000105900074 343605562 /nfs/dbraw/zinc/60/55/62/343605562.db2.gz XTNIBAHVXLFPCR-VIFPVBQESA-N 1 0 243.307 -1.054 20 0 BAADRO COCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000105900076 343605538 /nfs/dbraw/zinc/60/55/38/343605538.db2.gz XTNIBAHVXLFPCR-SECBINFHSA-N 1 0 243.307 -1.054 20 0 BAADRO C[NH+](C)C[C@@H]1CN(CC(N)=O)CCO1 ZINC000105925411 385058997 /nfs/dbraw/zinc/05/89/97/385058997.db2.gz LMKWYTCERYNSCR-MRVPVSSYSA-N 1 0 201.270 -1.266 20 0 BAADRO C[NH+](C)C[C@H]1CN(CC(N)=O)CCO1 ZINC000105925413 385059548 /nfs/dbraw/zinc/05/95/48/385059548.db2.gz LMKWYTCERYNSCR-QMMMGPOBSA-N 1 0 201.270 -1.266 20 0 BAADRO C[NH+](C)C[C@@H]1CN(CC(=O)NC(N)=O)CCO1 ZINC000105926302 385059317 /nfs/dbraw/zinc/05/93/17/385059317.db2.gz DEIVYYAWFKLKEZ-MRVPVSSYSA-N 1 0 244.295 -1.556 20 0 BAADRO C[NH+](C)C[C@H]1CN(CC(=O)NC(N)=O)CCO1 ZINC000105926305 385057274 /nfs/dbraw/zinc/05/72/74/385057274.db2.gz DEIVYYAWFKLKEZ-QMMMGPOBSA-N 1 0 244.295 -1.556 20 0 BAADRO CNC(=O)CC[N@H+](CCOC)[C@@H](C)C(N)=O ZINC000106313069 173252386 /nfs/dbraw/zinc/25/23/86/173252386.db2.gz ZMHIAFXEURYEKV-QMMMGPOBSA-N 1 0 231.296 -1.055 20 0 BAADRO CNC(=O)CC[N@H+](CCOC)[C@H](C)C(N)=O ZINC000106313071 173251409 /nfs/dbraw/zinc/25/14/09/173251409.db2.gz ZMHIAFXEURYEKV-MRVPVSSYSA-N 1 0 231.296 -1.055 20 0 BAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C(N)=O)C(C)(C)C ZINC000106444407 173287609 /nfs/dbraw/zinc/28/76/09/173287609.db2.gz RERJHVGWARJURY-ZETCQYMHSA-N 1 0 244.295 -1.068 20 0 BAADRO CN(CC(=O)NC(N)=O)[C@@H]1CCOC1 ZINC000106881072 387228678 /nfs/dbraw/zinc/22/86/78/387228678.db2.gz ACIWTXQMIBJIKA-ZCFIWIBFSA-N 1 0 201.226 -1.098 20 0 BAADRO CN(CC(=O)NC(N)=O)[C@H]1CCOC1 ZINC000106881074 387228510 /nfs/dbraw/zinc/22/85/10/387228510.db2.gz ACIWTXQMIBJIKA-LURJTMIESA-N 1 0 201.226 -1.098 20 0 BAADRO CS(=O)(=O)NCC[N@@H+]1CCC[C@@H]1CO ZINC000107299742 385562865 /nfs/dbraw/zinc/56/28/65/385562865.db2.gz ZZKYUWDDWYJANY-MRVPVSSYSA-N 1 0 222.310 -1.008 20 0 BAADRO COCCN(CCO)CCNS(C)(=O)=O ZINC000107367850 174293617 /nfs/dbraw/zinc/29/36/17/174293617.db2.gz QGAFZOSQTQGCCY-UHFFFAOYSA-N 1 0 240.325 -1.524 20 0 BAADRO O=C(CN1C[C@H]2C[NH2+]C[C@H]2C1)N1CCOCC1 ZINC000107574203 384980460 /nfs/dbraw/zinc/98/04/60/384980460.db2.gz ZXYZLOICDPRPMB-PHIMTYICSA-N 1 0 239.319 -1.004 20 0 BAADRO O=C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCOCC1 ZINC000107574206 345538312 /nfs/dbraw/zinc/53/83/12/345538312.db2.gz ZXYZLOICDPRPMB-GHMZBOCLSA-N 1 0 239.319 -1.004 20 0 BAADRO O=C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCOCC1 ZINC000107574210 344484360 /nfs/dbraw/zinc/48/43/60/344484360.db2.gz ZXYZLOICDPRPMB-QWRGUYRKSA-N 1 0 239.319 -1.004 20 0 BAADRO CCNC(=O)NC(=O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107575493 170076167 /nfs/dbraw/zinc/07/61/67/170076167.db2.gz FCGSJTKRJOBVPT-DTORHVGOSA-N 1 0 240.307 -1.017 20 0 BAADRO CCNC(=O)NC(=O)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107575495 345555362 /nfs/dbraw/zinc/55/53/62/345555362.db2.gz FCGSJTKRJOBVPT-RKDXNWHRSA-N 1 0 240.307 -1.017 20 0 BAADRO CCNC(=O)NC(=O)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107575499 369353758 /nfs/dbraw/zinc/35/37/58/369353758.db2.gz FCGSJTKRJOBVPT-IUCAKERBSA-N 1 0 240.307 -1.017 20 0 BAADRO CNC(=O)NC(=O)[C@H](C)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107575504 173288772 /nfs/dbraw/zinc/28/87/72/173288772.db2.gz QGYKXZVQFBJCDE-XHNCKOQMSA-N 1 0 240.307 -1.018 20 0 BAADRO CNC(=O)NC(=O)[C@@H](C)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107575510 173288460 /nfs/dbraw/zinc/28/84/60/173288460.db2.gz QGYKXZVQFBJCDE-HLTSFMKQSA-N 1 0 240.307 -1.018 20 0 BAADRO CNC(=O)NC(=O)[C@H](C)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107575515 369353832 /nfs/dbraw/zinc/35/38/32/369353832.db2.gz QGYKXZVQFBJCDE-DJLDLDEBSA-N 1 0 240.307 -1.018 20 0 BAADRO O=C(CN1C[C@H]2C[NH2+]C[C@H]2C1)N1CCNC1=O ZINC000107855559 369362834 /nfs/dbraw/zinc/36/28/34/369362834.db2.gz RRDAMZFRLYXQMF-DTORHVGOSA-N 1 0 238.291 -1.311 20 0 BAADRO O=C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCNC1=O ZINC000107855563 369362611 /nfs/dbraw/zinc/36/26/11/369362611.db2.gz RRDAMZFRLYXQMF-RKDXNWHRSA-N 1 0 238.291 -1.311 20 0 BAADRO O=C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCNC1=O ZINC000107855566 369362489 /nfs/dbraw/zinc/36/24/89/369362489.db2.gz RRDAMZFRLYXQMF-IUCAKERBSA-N 1 0 238.291 -1.311 20 0 BAADRO COCC[N@@H+]1CCC[C@@H]1CNS(N)(=O)=O ZINC000108400170 174306647 /nfs/dbraw/zinc/30/66/47/174306647.db2.gz AXKZWUKRVGLTIQ-MRVPVSSYSA-N 1 0 237.325 -1.110 20 0 BAADRO COCC[N@@H+]1CCC[C@H]1CNS(N)(=O)=O ZINC000108400172 174309136 /nfs/dbraw/zinc/30/91/36/174309136.db2.gz AXKZWUKRVGLTIQ-QMMMGPOBSA-N 1 0 237.325 -1.110 20 0 BAADRO CC1(C)C(=O)NCCN1C(=O)CNC(=O)C[NH3+] ZINC000110666291 387066587 /nfs/dbraw/zinc/06/65/87/387066587.db2.gz FIMGNAZOQDSCBF-UHFFFAOYSA-N 1 0 242.279 -2.202 20 0 BAADRO C[C@@H]1C(=O)NCCN1C(=O)CN1CC[NH2+]CC1 ZINC000110666950 491068706 /nfs/dbraw/zinc/06/87/06/491068706.db2.gz HKGVJEAOLIVLIK-SECBINFHSA-N 1 0 240.307 -1.762 20 0 BAADRO C[C@H]1C(=O)NCCN1C(=O)CN1CC[NH2+]CC1 ZINC000110666952 410213596 /nfs/dbraw/zinc/21/35/96/410213596.db2.gz HKGVJEAOLIVLIK-VIFPVBQESA-N 1 0 240.307 -1.762 20 0 BAADRO COC(=O)CN(C)C(=O)CC[N@H+](C)CCO ZINC000111201742 385496379 /nfs/dbraw/zinc/49/63/79/385496379.db2.gz SNCYIBYBWGIQHM-UHFFFAOYSA-N 1 0 232.280 -1.068 20 0 BAADRO CCOC(=O)CN(C)C(=O)CN(C)CCO ZINC000111201755 170213433 /nfs/dbraw/zinc/21/34/33/170213433.db2.gz MLNNOZBJLPWBAK-UHFFFAOYSA-N 1 0 232.280 -1.068 20 0 BAADRO CNC(=O)CC[N@H+](CCO)CCCO ZINC000111245154 173251767 /nfs/dbraw/zinc/25/17/67/173251767.db2.gz IFBBTXMABZYRMA-UHFFFAOYSA-N 1 0 204.270 -1.201 20 0 BAADRO CNC(=O)[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC000111266575 384598664 /nfs/dbraw/zinc/59/86/64/384598664.db2.gz KKRORHOWZKQOFB-SSDOTTSWSA-N 1 0 242.279 -1.361 20 0 BAADRO CNC(=O)[C@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC000111266577 384596750 /nfs/dbraw/zinc/59/67/50/384596750.db2.gz KKRORHOWZKQOFB-ZETCQYMHSA-N 1 0 242.279 -1.361 20 0 BAADRO O=C(COC1CC[NH2+]CC1)N1CCNC(=O)C1 ZINC000111757295 368862180 /nfs/dbraw/zinc/86/21/80/368862180.db2.gz DTUQAXGYMUKGIL-UHFFFAOYSA-N 1 0 241.291 -1.287 20 0 BAADRO CN1C(=O)C[C@@H]([NH2+][C@@H]2CCC(=O)N(C)C2)C1=O ZINC000113487543 366605456 /nfs/dbraw/zinc/60/54/56/366605456.db2.gz HGRAWQBTAMZTDP-HTQZYQBOSA-N 1 0 239.275 -1.046 20 0 BAADRO CN1C(=O)C[C@@H]([NH2+][C@H]2CCC(=O)N(C)C2)C1=O ZINC000113487547 366605861 /nfs/dbraw/zinc/60/58/61/366605861.db2.gz HGRAWQBTAMZTDP-JGVFFNPUSA-N 1 0 239.275 -1.046 20 0 BAADRO C[C@H](NC(=O)CN1CC[C@H](O)C1)C(=O)N(C)C ZINC000113502982 355241309 /nfs/dbraw/zinc/24/13/09/355241309.db2.gz VGBINBJPJFYYNP-IUCAKERBSA-N 1 0 243.307 -1.354 20 0 BAADRO C[C@@H](NC(=O)CN1CC[C@H](O)C1)C(=O)N(C)C ZINC000113502985 355241319 /nfs/dbraw/zinc/24/13/19/355241319.db2.gz VGBINBJPJFYYNP-BDAKNGLRSA-N 1 0 243.307 -1.354 20 0 BAADRO CNC(=O)NC(=O)C[NH2+]C(C)(C)C(=O)N(C)C ZINC000114186811 323193001 /nfs/dbraw/zinc/19/30/01/323193001.db2.gz FGFYJPHLEWBIQL-UHFFFAOYSA-N 1 0 244.295 -1.102 20 0 BAADRO COC(=O)CNC(=O)CC[N@@H+]1CC[C@H](O)C1 ZINC000114469911 387125530 /nfs/dbraw/zinc/12/55/30/387125530.db2.gz WNYSOXVQIIFMSM-QMMMGPOBSA-N 1 0 230.264 -1.268 20 0 BAADRO COC(=O)CNC(=O)CC[N@@H+]1CC[C@@H](O)C1 ZINC000114485478 387125713 /nfs/dbraw/zinc/12/57/13/387125713.db2.gz WNYSOXVQIIFMSM-MRVPVSSYSA-N 1 0 230.264 -1.268 20 0 BAADRO COC(=O)CCNC(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC000114486263 384038769 /nfs/dbraw/zinc/03/87/69/384038769.db2.gz IFNDBBODQCAXSW-MRVPVSSYSA-N 1 0 230.264 -1.268 20 0 BAADRO C[N@H+](CC(=O)N1CCNC(=O)C1)CC(C)(C)O ZINC000114728793 136217659 /nfs/dbraw/zinc/21/76/59/136217659.db2.gz KYEYCHRQHGQRDD-UHFFFAOYSA-N 1 0 243.307 -1.353 20 0 BAADRO CC(C)(C)[C@H]([NH2+]C[C@@H](O)CO)C(N)=O ZINC000115554351 643691606 /nfs/dbraw/zinc/69/16/06/643691606.db2.gz KAZXCDHIIJQGJK-RNFRBKRXSA-N 1 0 204.270 -1.171 20 0 BAADRO CC(C)(C)[C@H]([NH2+]C[C@H](O)CO)C(N)=O ZINC000115566599 643692089 /nfs/dbraw/zinc/69/20/89/643692089.db2.gz KAZXCDHIIJQGJK-NKWVEPMBSA-N 1 0 204.270 -1.171 20 0 BAADRO CNC(=O)CC[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000116887602 173253620 /nfs/dbraw/zinc/25/36/20/173253620.db2.gz BZRSBCUPIQOBHD-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO O=C1CCC(=O)N1CC[N@@H+](CCO)CCCO ZINC000118003586 487733237 /nfs/dbraw/zinc/73/32/37/487733237.db2.gz BJNTYMLNUDUKDU-UHFFFAOYSA-N 1 0 244.291 -1.188 20 0 BAADRO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CO ZINC000118964471 173286109 /nfs/dbraw/zinc/28/61/09/173286109.db2.gz DRKFWKFTTGXYFS-LURJTMIESA-N 1 0 203.242 -1.245 20 0 BAADRO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CO ZINC000118964542 173286429 /nfs/dbraw/zinc/28/64/29/173286429.db2.gz DRKFWKFTTGXYFS-ZCFIWIBFSA-N 1 0 203.242 -1.245 20 0 BAADRO CC[NH+](CC)CC(=O)NC(CO)CO ZINC000119457270 387133648 /nfs/dbraw/zinc/13/36/48/387133648.db2.gz BBJPUDIEIDYBQK-UHFFFAOYSA-N 1 0 204.270 -1.202 20 0 BAADRO CC[N@H+](CC(=O)NC(CO)CO)C1CC1 ZINC000119478283 343078891 /nfs/dbraw/zinc/07/88/91/343078891.db2.gz HCEQHNZOYPAKMD-UHFFFAOYSA-N 1 0 216.281 -1.060 20 0 BAADRO CN1CCN(CCOCCO)CC1=O ZINC000119516172 344428433 /nfs/dbraw/zinc/42/84/33/344428433.db2.gz CDQMFSPSQJEQFF-UHFFFAOYSA-N 1 0 202.254 -1.231 20 0 BAADRO C[N@H+](CC(=O)NC(CO)CO)[C@@H]1CCSC1 ZINC000119558831 387139838 /nfs/dbraw/zinc/13/98/38/387139838.db2.gz VCFSUZNFROMXKH-SECBINFHSA-N 1 0 248.348 -1.107 20 0 BAADRO C[N@H+](CC(=O)NC(CO)CO)[C@H]1CCSC1 ZINC000119558987 387140342 /nfs/dbraw/zinc/14/03/42/387140342.db2.gz VCFSUZNFROMXKH-VIFPVBQESA-N 1 0 248.348 -1.107 20 0 BAADRO CN1CCO[C@H](C(=O)NCC[NH+](C)C)C1 ZINC000119701807 387144319 /nfs/dbraw/zinc/14/43/19/387144319.db2.gz BCVWFWLGRMJFPM-VIFPVBQESA-N 1 0 215.297 -1.005 20 0 BAADRO CN1CCO[C@@H](C(=O)NCC[NH+](C)C)C1 ZINC000119701981 387144539 /nfs/dbraw/zinc/14/45/39/387144539.db2.gz BCVWFWLGRMJFPM-SECBINFHSA-N 1 0 215.297 -1.005 20 0 BAADRO C[C@@H](C(N)=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000120311126 136275663 /nfs/dbraw/zinc/27/56/63/136275663.db2.gz VIRAUMHJCQOQTG-VIFPVBQESA-N 1 0 242.323 -1.434 20 0 BAADRO C[C@H](C(N)=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000120311245 344885645 /nfs/dbraw/zinc/88/56/45/344885645.db2.gz VIRAUMHJCQOQTG-SECBINFHSA-N 1 0 242.323 -1.434 20 0 BAADRO C[C@@H](CO)[N@H+](C)CCN1C(=O)CNC1=O ZINC000120510759 385361395 /nfs/dbraw/zinc/36/13/95/385361395.db2.gz SQUXZLLMQRIUJK-ZETCQYMHSA-N 1 0 215.253 -1.149 20 0 BAADRO C[C@H](CO)[N@H+](C)CCN1C(=O)CNC1=O ZINC000120510906 385360736 /nfs/dbraw/zinc/36/07/36/385360736.db2.gz SQUXZLLMQRIUJK-SSDOTTSWSA-N 1 0 215.253 -1.149 20 0 BAADRO NC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)NC(N)=O ZINC000120580010 181242939 /nfs/dbraw/zinc/24/29/39/181242939.db2.gz IVXHAQZDDQWEBJ-ZETCQYMHSA-N 1 0 242.279 -1.089 20 0 BAADRO NC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)NC(N)=O ZINC000120580143 181246038 /nfs/dbraw/zinc/24/60/38/181246038.db2.gz IVXHAQZDDQWEBJ-SSDOTTSWSA-N 1 0 242.279 -1.089 20 0 BAADRO C[C@H](CO)C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000120746131 490068918 /nfs/dbraw/zinc/06/89/18/490068918.db2.gz NDRONPTZKUOBQC-YUMQZZPRSA-N 1 0 202.254 -1.199 20 0 BAADRO C[C@@H](CO)C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000120746194 490068401 /nfs/dbraw/zinc/06/84/01/490068401.db2.gz NDRONPTZKUOBQC-SFYZADRCSA-N 1 0 202.254 -1.199 20 0 BAADRO CN1CCN(C(=O)Cn2cccn2)[C@H](C[NH3+])C1 ZINC000120779122 387194468 /nfs/dbraw/zinc/19/44/68/387194468.db2.gz OECFIYQSYOLCQD-SNVBAGLBSA-N 1 0 237.307 -1.016 20 0 BAADRO CN1CCN(C(=O)Cn2cccn2)[C@@H](C[NH3+])C1 ZINC000120779274 387193963 /nfs/dbraw/zinc/19/39/63/387193963.db2.gz OECFIYQSYOLCQD-JTQLQIEISA-N 1 0 237.307 -1.016 20 0 BAADRO C[NH+](C)CCNC(=O)CN1CCCS1(=O)=O ZINC000121061689 386692960 /nfs/dbraw/zinc/69/29/60/386692960.db2.gz COTFAFYGLSZCDL-UHFFFAOYSA-N 1 0 249.336 -1.300 20 0 BAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000121389595 536370003 /nfs/dbraw/zinc/37/00/03/536370003.db2.gz CUYRYRZXAPEYKJ-BDAKNGLRSA-N 1 0 241.291 -1.207 20 0 BAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000121389787 136277681 /nfs/dbraw/zinc/27/76/81/136277681.db2.gz CUYRYRZXAPEYKJ-IUCAKERBSA-N 1 0 241.291 -1.207 20 0 BAADRO C[NH2+]CCCNC(=O)CN1CCNCC1=O ZINC000121738926 343273847 /nfs/dbraw/zinc/27/38/47/343273847.db2.gz QHHDTPQKXQLXNG-UHFFFAOYSA-N 1 0 228.296 -1.856 20 0 BAADRO CC(C)N1C(=O)C[C@@H](NC(=O)[C@H](C)[NH3+])C1=O ZINC000121791188 191072361 /nfs/dbraw/zinc/07/23/61/191072361.db2.gz DSUKCIVCLFCWEY-NKWVEPMBSA-N 1 0 227.264 -1.014 20 0 BAADRO CC(C)N1C(=O)C[C@H](NC(=O)[C@H](C)[NH3+])C1=O ZINC000121791355 188329172 /nfs/dbraw/zinc/32/91/72/188329172.db2.gz DSUKCIVCLFCWEY-BQBZGAKWSA-N 1 0 227.264 -1.014 20 0 BAADRO CC(C)N1C(=O)C[C@H](NC(=O)[C@@H](C)[NH3+])C1=O ZINC000121791788 191072465 /nfs/dbraw/zinc/07/24/65/191072465.db2.gz DSUKCIVCLFCWEY-RQJHMYQMSA-N 1 0 227.264 -1.014 20 0 BAADRO CC(C)N1C(=O)C[C@@H](NC(=O)[C@@H](C)[NH3+])C1=O ZINC000121791933 188329448 /nfs/dbraw/zinc/32/94/48/188329448.db2.gz DSUKCIVCLFCWEY-RNFRBKRXSA-N 1 0 227.264 -1.014 20 0 BAADRO COCC(=O)N(C)CC(=O)NCC[NH+](C)C ZINC000121827495 174037979 /nfs/dbraw/zinc/03/79/79/174037979.db2.gz PVIPDKAYBBLKRP-UHFFFAOYSA-N 1 0 231.296 -1.231 20 0 BAADRO CCS(=O)(=O)NCC(=O)NCC[NH+](C)C ZINC000121829911 386725357 /nfs/dbraw/zinc/72/53/57/386725357.db2.gz QYVLIHTVKLFOPR-UHFFFAOYSA-N 1 0 237.325 -1.397 20 0 BAADRO C[C@@H](CC(N)=O)[NH2+]CC(=O)N1CCN(C)CC1 ZINC000122145998 490127241 /nfs/dbraw/zinc/12/72/41/490127241.db2.gz WHSCUOSTYSYIFA-VIFPVBQESA-N 1 0 242.323 -1.386 20 0 BAADRO C[C@H](CC(N)=O)[NH2+]CC(=O)N1CCN(C)CC1 ZINC000122146206 490127413 /nfs/dbraw/zinc/12/74/13/490127413.db2.gz WHSCUOSTYSYIFA-SECBINFHSA-N 1 0 242.323 -1.386 20 0 BAADRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@H](O)CO ZINC000122273639 635246491 /nfs/dbraw/zinc/24/64/91/635246491.db2.gz GWDLSYROXZMDOQ-VGMNWLOBSA-N 1 0 216.281 -1.075 20 0 BAADRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@H](O)CO ZINC000122273840 635247582 /nfs/dbraw/zinc/24/75/82/635247582.db2.gz GWDLSYROXZMDOQ-CIUDSAMLSA-N 1 0 216.281 -1.075 20 0 BAADRO COCCN(CCO)CC(=O)NC(N)=O ZINC000122296151 174293150 /nfs/dbraw/zinc/29/31/50/174293150.db2.gz PSTNVDYDGZBQGJ-UHFFFAOYSA-N 1 0 219.241 -1.878 20 0 BAADRO CS[C@@H](C)CNC(=O)CNC(=O)C[NH3+] ZINC000122339237 175541849 /nfs/dbraw/zinc/54/18/49/175541849.db2.gz OWCAGRZVWVQDRU-LURJTMIESA-N 1 0 219.310 -1.071 20 0 BAADRO CS[C@H](C)CNC(=O)CNC(=O)C[NH3+] ZINC000122339435 385911390 /nfs/dbraw/zinc/91/13/90/385911390.db2.gz OWCAGRZVWVQDRU-ZCFIWIBFSA-N 1 0 219.310 -1.071 20 0 BAADRO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)CO)C1 ZINC000122466291 636924715 /nfs/dbraw/zinc/92/47/15/636924715.db2.gz WBYPLKJCAUAWOI-SFYZADRCSA-N 1 0 203.238 -1.166 20 0 BAADRO COC(=O)[C@H]1CC[N@H+](C[C@H](O)CO)C1 ZINC000122466514 633760465 /nfs/dbraw/zinc/76/04/65/633760465.db2.gz WBYPLKJCAUAWOI-YUMQZZPRSA-N 1 0 203.238 -1.166 20 0 BAADRO COCCN(C)S(=O)(=O)NCC[NH3+] ZINC000122470141 174282073 /nfs/dbraw/zinc/28/20/73/174282073.db2.gz WQRXNPMACSXRMK-UHFFFAOYSA-N 1 0 211.287 -1.642 20 0 BAADRO CN1CCN(C(=O)[C@@H]2COCCO2)[C@H](C[NH3+])C1 ZINC000122602336 343160407 /nfs/dbraw/zinc/16/04/07/343160407.db2.gz VUKHWINDLWUHKX-ZJUUUORDSA-N 1 0 243.307 -1.497 20 0 BAADRO CN1CCN(C(=O)[C@@H]2COCCO2)[C@@H](C[NH3+])C1 ZINC000122602556 343160269 /nfs/dbraw/zinc/16/02/69/343160269.db2.gz VUKHWINDLWUHKX-UWVGGRQHSA-N 1 0 243.307 -1.497 20 0 BAADRO CN1CCN(C(=O)Cn2cnnn2)[C@H](C[NH3+])C1 ZINC000122613842 343160134 /nfs/dbraw/zinc/16/01/34/343160134.db2.gz VLMCNBKYWLHOQY-MRVPVSSYSA-N 1 0 239.283 -2.226 20 0 BAADRO CN1CCN(C(=O)Cn2cnnn2)[C@@H](C[NH3+])C1 ZINC000122614091 343160286 /nfs/dbraw/zinc/16/02/86/343160286.db2.gz VLMCNBKYWLHOQY-QMMMGPOBSA-N 1 0 239.283 -2.226 20 0 BAADRO CN1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@H](C[NH3+])C1 ZINC000122630527 343160572 /nfs/dbraw/zinc/16/05/72/343160572.db2.gz AKJVVFGNUGURKR-BDAKNGLRSA-N 1 0 240.307 -1.634 20 0 BAADRO CN1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@@H](C[NH3+])C1 ZINC000122630750 343160859 /nfs/dbraw/zinc/16/08/59/343160859.db2.gz AKJVVFGNUGURKR-IUCAKERBSA-N 1 0 240.307 -1.634 20 0 BAADRO COCC[N@H+](CCO)CCC(=O)NC(N)=O ZINC000122638496 174293121 /nfs/dbraw/zinc/29/31/21/174293121.db2.gz IEOJYFARVPGJIS-UHFFFAOYSA-N 1 0 233.268 -1.488 20 0 BAADRO CN1CCN(C(=O)Cn2cncn2)[C@H](C[NH3+])C1 ZINC000122638775 411434194 /nfs/dbraw/zinc/43/41/94/411434194.db2.gz HJDMMWOHOKZEPB-SECBINFHSA-N 1 0 238.295 -1.621 20 0 BAADRO CN1CCN(C(=O)Cn2cncn2)[C@@H](C[NH3+])C1 ZINC000122639046 411434335 /nfs/dbraw/zinc/43/43/35/411434335.db2.gz HJDMMWOHOKZEPB-VIFPVBQESA-N 1 0 238.295 -1.621 20 0 BAADRO CCOCCN(C)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000123108311 170385889 /nfs/dbraw/zinc/38/58/89/170385889.db2.gz AAPXGGVRZLFESL-UHFFFAOYSA-N 1 0 243.307 -1.087 20 0 BAADRO COCCN(C)S(=O)(=O)N[C@@H]1CC[NH2+]C1 ZINC000123201173 174282135 /nfs/dbraw/zinc/28/21/35/174282135.db2.gz LQFVNDDNXOSYBC-MRVPVSSYSA-N 1 0 237.325 -1.239 20 0 BAADRO COCCN(C)S(=O)(=O)N[C@H]1CC[NH2+]C1 ZINC000123201374 174283040 /nfs/dbraw/zinc/28/30/40/174283040.db2.gz LQFVNDDNXOSYBC-QMMMGPOBSA-N 1 0 237.325 -1.239 20 0 BAADRO CC(C)OCC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000123213885 384539024 /nfs/dbraw/zinc/53/90/24/384539024.db2.gz IPYLUFHHLZZTML-UHFFFAOYSA-N 1 0 243.307 -1.041 20 0 BAADRO COCC[N@H+](CCO)C[C@H](O)COC ZINC000123234517 386547127 /nfs/dbraw/zinc/54/71/27/386547127.db2.gz YTQBHZJJMUWBEV-VIFPVBQESA-N 1 0 207.270 -1.066 20 0 BAADRO COCC[N@H+](CCO)C[C@@H](O)COC ZINC000123234764 174293340 /nfs/dbraw/zinc/29/33/40/174293340.db2.gz YTQBHZJJMUWBEV-SECBINFHSA-N 1 0 207.270 -1.066 20 0 BAADRO CN(CCC[NH3+])Cc1cc(=O)n(C)c(=O)n1C ZINC000123309378 411442514 /nfs/dbraw/zinc/44/25/14/411442514.db2.gz VDEBIXFWNLKUBI-UHFFFAOYSA-N 1 0 240.307 -1.135 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH+](C)C ZINC000123569983 387586325 /nfs/dbraw/zinc/58/63/25/387586325.db2.gz MPORCHKRARCVIZ-ZETCQYMHSA-N 1 0 237.325 -1.398 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH+](C)C ZINC000123570228 387586264 /nfs/dbraw/zinc/58/62/64/387586264.db2.gz MPORCHKRARCVIZ-SSDOTTSWSA-N 1 0 237.325 -1.398 20 0 BAADRO C[C@@H](CNC(=O)NCCO)N1CCOCC1 ZINC000123581283 386559217 /nfs/dbraw/zinc/55/92/17/386559217.db2.gz KLAGQDBPJIKBRW-VIFPVBQESA-N 1 0 231.296 -1.001 20 0 BAADRO C[C@H](CNC(=O)NCCO)N1CCOCC1 ZINC000123581472 386558234 /nfs/dbraw/zinc/55/82/34/386558234.db2.gz KLAGQDBPJIKBRW-SECBINFHSA-N 1 0 231.296 -1.001 20 0 BAADRO COCCN(C)S(=O)(=O)N1CC[C@H]([NH3+])C1 ZINC000123603602 174282033 /nfs/dbraw/zinc/28/20/33/174282033.db2.gz VEFQTJVPCAYSTC-QMMMGPOBSA-N 1 0 237.325 -1.158 20 0 BAADRO C[NH2+]CCNS(=O)(=O)N(C)CCOC ZINC000123628198 173355914 /nfs/dbraw/zinc/35/59/14/173355914.db2.gz CNWYUNXSNLLUGO-UHFFFAOYSA-N 1 0 225.314 -1.382 20 0 BAADRO C[C@H]([NH3+])[C@@H]1CN(CCC(=O)NC(N)=O)CCO1 ZINC000123753585 345014345 /nfs/dbraw/zinc/01/43/45/345014345.db2.gz MOSZOLMJPQSCSR-YUMQZZPRSA-N 1 0 244.295 -1.381 20 0 BAADRO C[C@@H]([NH3+])[C@@H]1CN(CCC(=O)NC(N)=O)CCO1 ZINC000123753785 368958047 /nfs/dbraw/zinc/95/80/47/368958047.db2.gz MOSZOLMJPQSCSR-SFYZADRCSA-N 1 0 244.295 -1.381 20 0 BAADRO C[C@H]([NH3+])[C@H]1CN(CCC(=O)NC(N)=O)CCO1 ZINC000123754066 345014824 /nfs/dbraw/zinc/01/48/24/345014824.db2.gz MOSZOLMJPQSCSR-JGVFFNPUSA-N 1 0 244.295 -1.381 20 0 BAADRO CNC(=O)NC(=O)CN1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000123776281 371106704 /nfs/dbraw/zinc/10/67/04/371106704.db2.gz UVRYCPHBFAUETD-YUMQZZPRSA-N 1 0 244.295 -1.510 20 0 BAADRO CNC(=O)NC(=O)CN1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000123776499 345015200 /nfs/dbraw/zinc/01/52/00/345015200.db2.gz UVRYCPHBFAUETD-SFYZADRCSA-N 1 0 244.295 -1.510 20 0 BAADRO CNC(=O)NC(=O)CN1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000123776715 371107110 /nfs/dbraw/zinc/10/71/10/371107110.db2.gz UVRYCPHBFAUETD-JGVFFNPUSA-N 1 0 244.295 -1.510 20 0 BAADRO CNC(=O)NC(=O)CN1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000123776958 371106868 /nfs/dbraw/zinc/10/68/68/371106868.db2.gz UVRYCPHBFAUETD-HTQZYQBOSA-N 1 0 244.295 -1.510 20 0 BAADRO COCCN(C)S(=O)(=O)NC1C[NH2+]C1 ZINC000123838424 343499096 /nfs/dbraw/zinc/49/90/96/343499096.db2.gz WIOODWLSRMKORH-UHFFFAOYSA-N 1 0 223.298 -1.629 20 0 BAADRO C[C@@H](C[NH3+])C(=O)NCCC(=O)N1CCOCC1 ZINC000123847783 175705443 /nfs/dbraw/zinc/70/54/43/175705443.db2.gz MTGKEKOTHLBABU-VIFPVBQESA-N 1 0 243.307 -1.054 20 0 BAADRO C[C@H](C[NH3+])C(=O)NCCC(=O)N1CCOCC1 ZINC000123847983 386574539 /nfs/dbraw/zinc/57/45/39/386574539.db2.gz MTGKEKOTHLBABU-SECBINFHSA-N 1 0 243.307 -1.054 20 0 BAADRO C[C@H]([NH3+])[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)CCO1 ZINC000123850869 371115834 /nfs/dbraw/zinc/11/58/34/371115834.db2.gz LQHAIULNQKNXRX-FXQIFTODSA-N 1 0 244.295 -1.382 20 0 BAADRO C[C@H]([NH3+])[C@H]1CN([C@@H](C)C(=O)NC(N)=O)CCO1 ZINC000123851299 371115343 /nfs/dbraw/zinc/11/53/43/371115343.db2.gz LQHAIULNQKNXRX-BIIVOSGPSA-N 1 0 244.295 -1.382 20 0 BAADRO COCC[N@H+](CCO)C[C@@](C)(O)C(=O)OC ZINC000123991938 174293292 /nfs/dbraw/zinc/29/32/92/174293292.db2.gz SFHAABDSSMCRSL-SNVBAGLBSA-N 1 0 235.280 -1.149 20 0 BAADRO COCC[N@H+](CCO)C[C@](C)(O)C(=O)OC ZINC000123992180 174293599 /nfs/dbraw/zinc/29/35/99/174293599.db2.gz SFHAABDSSMCRSL-JTQLQIEISA-N 1 0 235.280 -1.149 20 0 BAADRO O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1COCCN1 ZINC000124003924 182329554 /nfs/dbraw/zinc/32/95/54/182329554.db2.gz HUCBAJVUJRCSJU-IUCAKERBSA-N 1 0 213.281 -1.157 20 0 BAADRO O=C(N[C@H]1CCC[NH2+]C1)[C@H]1COCCN1 ZINC000124004114 182329676 /nfs/dbraw/zinc/32/96/76/182329676.db2.gz HUCBAJVUJRCSJU-DTWKUNHWSA-N 1 0 213.281 -1.157 20 0 BAADRO COCC[N@H+](CCO)CCN1CCNC1=O ZINC000124069805 174293776 /nfs/dbraw/zinc/29/37/76/174293776.db2.gz TYEITHOVXHLGOQ-UHFFFAOYSA-N 1 0 231.296 -1.048 20 0 BAADRO C[NH2+][C@@H](C)C(=O)NCCC(=O)N1CCOCC1 ZINC000124170607 343167150 /nfs/dbraw/zinc/16/71/50/343167150.db2.gz WATKMAIBUBTQHB-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO C[NH2+]CCC(=O)NCCC(=O)N1CCOCC1 ZINC000124174198 173340134 /nfs/dbraw/zinc/34/01/34/173340134.db2.gz JKJLRTNOIXECLE-UHFFFAOYSA-N 1 0 243.307 -1.039 20 0 BAADRO CNS(=O)(=O)CC(=O)N1CC[NH2+]C[C@H]1C ZINC000124629685 590067291 /nfs/dbraw/zinc/06/72/91/590067291.db2.gz NBWMWAJIXZXXLC-SSDOTTSWSA-N 1 0 235.309 -1.644 20 0 BAADRO C[N@H+](CC(=O)NC(N)=O)C(C)(C)CO ZINC000124804896 371237441 /nfs/dbraw/zinc/23/74/41/371237441.db2.gz BLNBOGDZCXEOMZ-UHFFFAOYSA-N 1 0 203.242 -1.116 20 0 BAADRO C[C@@H]1C[NH2+]CCN1C(=O)CN(C)S(C)(=O)=O ZINC000124934504 176325283 /nfs/dbraw/zinc/32/52/83/176325283.db2.gz HJKCPALTQFNNCW-MRVPVSSYSA-N 1 0 249.336 -1.302 20 0 BAADRO C[C@@H](CO)[N@H+](C)CCNS(C)(=O)=O ZINC000125195205 386227894 /nfs/dbraw/zinc/22/78/94/386227894.db2.gz YUUJEBCNTMXQKR-ZETCQYMHSA-N 1 0 210.299 -1.152 20 0 BAADRO CC[NH+](CC)CC(=O)NCCS(N)(=O)=O ZINC000125256494 387648451 /nfs/dbraw/zinc/64/84/51/387648451.db2.gz SXULZULPZGRBHG-UHFFFAOYSA-N 1 0 237.325 -1.267 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000125340750 386796930 /nfs/dbraw/zinc/79/69/30/386796930.db2.gz XICFAWDSHTVWJT-HTQZYQBOSA-N 1 0 249.336 -1.256 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000125341007 386796875 /nfs/dbraw/zinc/79/68/75/386796875.db2.gz XICFAWDSHTVWJT-SFYZADRCSA-N 1 0 249.336 -1.256 20 0 BAADRO C[C@H]1OCC[C@H]1NC(=O)CN1CCNCC1=O ZINC000125351787 387653257 /nfs/dbraw/zinc/65/32/57/387653257.db2.gz ZKFVGVYGZZJUMQ-RKDXNWHRSA-N 1 0 241.291 -1.288 20 0 BAADRO C[C@@H]1OCC[C@H]1NC(=O)CN1CCNCC1=O ZINC000125351984 387653746 /nfs/dbraw/zinc/65/37/46/387653746.db2.gz ZKFVGVYGZZJUMQ-DTWKUNHWSA-N 1 0 241.291 -1.288 20 0 BAADRO C[C@H]1OCC[C@@H]1NC(=O)CN1CCNCC1=O ZINC000125352189 387654135 /nfs/dbraw/zinc/65/41/35/387654135.db2.gz ZKFVGVYGZZJUMQ-BDAKNGLRSA-N 1 0 241.291 -1.288 20 0 BAADRO C[C@@H]1OCC[C@@H]1NC(=O)CN1CCNCC1=O ZINC000125352418 387654682 /nfs/dbraw/zinc/65/46/82/387654682.db2.gz ZKFVGVYGZZJUMQ-IUCAKERBSA-N 1 0 241.291 -1.288 20 0 BAADRO COCC[N@H+](CCO)CCOCCO ZINC000125400815 388671848 /nfs/dbraw/zinc/67/18/48/388671848.db2.gz VNKRBZAIWODXTC-UHFFFAOYSA-N 1 0 207.270 -1.064 20 0 BAADRO CNC(=O)CC[N@H+](C)CC(=O)N1CCOCC1 ZINC000125696835 173247589 /nfs/dbraw/zinc/24/75/89/173247589.db2.gz DKQPZCLRUBMVLX-UHFFFAOYSA-N 1 0 243.307 -1.087 20 0 BAADRO CNS(=O)(=O)CC(=O)N1CC[NH2+]C[C@@H]1C ZINC000125769240 386310911 /nfs/dbraw/zinc/31/09/11/386310911.db2.gz NBWMWAJIXZXXLC-ZETCQYMHSA-N 1 0 235.309 -1.644 20 0 BAADRO COC[C@H](O)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000125951845 386918578 /nfs/dbraw/zinc/91/85/78/386918578.db2.gz ZQIFYXTWGVUGKQ-HTQZYQBOSA-N 1 0 202.254 -1.057 20 0 BAADRO COC[C@H](O)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000125952086 386918544 /nfs/dbraw/zinc/91/85/44/386918544.db2.gz ZQIFYXTWGVUGKQ-SFYZADRCSA-N 1 0 202.254 -1.057 20 0 BAADRO C[C@H]1C[NH2+]CCN1C(=O)CN(C)S(C)(=O)=O ZINC000126049314 177282763 /nfs/dbraw/zinc/28/27/63/177282763.db2.gz HJKCPALTQFNNCW-QMMMGPOBSA-N 1 0 249.336 -1.302 20 0 BAADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCOCC1 ZINC000126050185 411163767 /nfs/dbraw/zinc/16/37/67/411163767.db2.gz MWVKPULHDKUJAJ-JTQLQIEISA-N 1 0 243.307 -1.055 20 0 BAADRO COC(=O)CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000126165288 387672911 /nfs/dbraw/zinc/67/29/11/387672911.db2.gz BEURLWZMAVWONK-VIFPVBQESA-N 1 0 245.279 -1.625 20 0 BAADRO O=c1ccccn1CC[NH2+]C(CO)CO ZINC000126334849 411430777 /nfs/dbraw/zinc/43/07/77/411430777.db2.gz WFKCKTVYYHIAMP-UHFFFAOYSA-N 1 0 212.249 -1.209 20 0 BAADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[C@@H](C)O ZINC000126384985 387680726 /nfs/dbraw/zinc/68/07/26/387680726.db2.gz DMTOINZEKAXIGQ-SCZZXKLOSA-N 1 0 245.323 -1.027 20 0 BAADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[C@H](C)O ZINC000126385211 387678623 /nfs/dbraw/zinc/67/86/23/387678623.db2.gz DMTOINZEKAXIGQ-WPRPVWTQSA-N 1 0 245.323 -1.027 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000126435734 177283148 /nfs/dbraw/zinc/28/31/48/177283148.db2.gz XICFAWDSHTVWJT-JGVFFNPUSA-N 1 0 249.336 -1.256 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000126435933 387033364 /nfs/dbraw/zinc/03/33/64/387033364.db2.gz XICFAWDSHTVWJT-YUMQZZPRSA-N 1 0 249.336 -1.256 20 0 BAADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CCOC1 ZINC000126454115 411437576 /nfs/dbraw/zinc/43/75/76/411437576.db2.gz OLGNJRXDWAAEAV-SCZZXKLOSA-N 1 0 243.307 -1.009 20 0 BAADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CCOC1 ZINC000126454343 411437890 /nfs/dbraw/zinc/43/78/90/411437890.db2.gz OLGNJRXDWAAEAV-WPRPVWTQSA-N 1 0 243.307 -1.009 20 0 BAADRO CCS(=O)(=O)N(C)CC(=O)N[C@H]1CC[NH2+]C1 ZINC000126677977 387050644 /nfs/dbraw/zinc/05/06/44/387050644.db2.gz IJQOIWVFJNUSBC-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO CN(CC(=O)NC(N)=O)[C@@H](C[NH3+])C1CC1 ZINC000126722873 343171521 /nfs/dbraw/zinc/17/15/21/343171521.db2.gz JLKHMRFISHNXBW-ZETCQYMHSA-N 1 0 214.269 -1.150 20 0 BAADRO CN(CC(=O)NC(N)=O)[C@H](C[NH3+])C1CC1 ZINC000126723126 363953857 /nfs/dbraw/zinc/95/38/57/363953857.db2.gz JLKHMRFISHNXBW-SSDOTTSWSA-N 1 0 214.269 -1.150 20 0 BAADRO CN1C[C@H](C(=O)N[C@@H]2CC[NH2+]C2)CC1=O ZINC000127031624 173191903 /nfs/dbraw/zinc/19/19/03/173191903.db2.gz YKQFKENKSIMXJQ-HTQZYQBOSA-N 1 0 211.265 -1.057 20 0 BAADRO CN1C[C@@H](C(=O)N[C@@H]2CC[NH2+]C2)CC1=O ZINC000127031839 173181675 /nfs/dbraw/zinc/18/16/75/173181675.db2.gz YKQFKENKSIMXJQ-JGVFFNPUSA-N 1 0 211.265 -1.057 20 0 BAADRO CN1C[C@H](C(=O)N[C@H]2CC[NH2+]C2)CC1=O ZINC000127032060 173191819 /nfs/dbraw/zinc/19/18/19/173191819.db2.gz YKQFKENKSIMXJQ-SFYZADRCSA-N 1 0 211.265 -1.057 20 0 BAADRO CN1C[C@@H](C(=O)N[C@H]2CC[NH2+]C2)CC1=O ZINC000127032282 173181225 /nfs/dbraw/zinc/18/12/25/173181225.db2.gz YKQFKENKSIMXJQ-YUMQZZPRSA-N 1 0 211.265 -1.057 20 0 BAADRO COC[C@H](O)CN1CCN(C)C(=O)C1 ZINC000127041366 388712121 /nfs/dbraw/zinc/71/21/21/388712121.db2.gz KDSNLOMXIRFPDH-MRVPVSSYSA-N 1 0 202.254 -1.232 20 0 BAADRO CCS(=O)(=O)NCC[NH2+]C[C@@H](C)O ZINC000127257085 411480815 /nfs/dbraw/zinc/48/08/15/411480815.db2.gz GYAPHOLVAJANFZ-SSDOTTSWSA-N 1 0 210.299 -1.104 20 0 BAADRO CCS(=O)(=O)NCC[NH2+]C[C@H](C)O ZINC000127257282 388719047 /nfs/dbraw/zinc/71/90/47/388719047.db2.gz GYAPHOLVAJANFZ-ZETCQYMHSA-N 1 0 210.299 -1.104 20 0 BAADRO COCCC[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000127312143 174216768 /nfs/dbraw/zinc/21/67/68/174216768.db2.gz LTDONNUYRQIYEZ-UHFFFAOYSA-N 1 0 243.307 -1.087 20 0 BAADRO CSC[C@H](C)NC(=O)CNC(=O)C[NH3+] ZINC000127609509 384907996 /nfs/dbraw/zinc/90/79/96/384907996.db2.gz QWGOOFAALHOZBK-LURJTMIESA-N 1 0 219.310 -1.071 20 0 BAADRO CSC[C@@H](C)NC(=O)CNC(=O)C[NH3+] ZINC000127609721 384907553 /nfs/dbraw/zinc/90/75/53/384907553.db2.gz QWGOOFAALHOZBK-ZCFIWIBFSA-N 1 0 219.310 -1.071 20 0 BAADRO COC[C@H](O)C[N@H+](C)CC(C)(CO)CO ZINC000127632420 384907825 /nfs/dbraw/zinc/90/78/25/384907825.db2.gz JZUPVCVSXIKHKL-SECBINFHSA-N 1 0 221.297 -1.084 20 0 BAADRO O=C(CN1CSCC1=O)N[C@@H]1CC[NH2+]C1 ZINC000127758693 411511555 /nfs/dbraw/zinc/51/15/55/411511555.db2.gz LPJOEPDUNTUJAV-SSDOTTSWSA-N 1 0 229.305 -1.003 20 0 BAADRO O=C(CN1CSCC1=O)N[C@H]1CC[NH2+]C1 ZINC000127758932 398286823 /nfs/dbraw/zinc/28/68/23/398286823.db2.gz LPJOEPDUNTUJAV-ZETCQYMHSA-N 1 0 229.305 -1.003 20 0 BAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000128302898 388747245 /nfs/dbraw/zinc/74/72/45/388747245.db2.gz BIOTZTGPDUKLJD-HTQZYQBOSA-N 1 0 249.336 -1.078 20 0 BAADRO Cn1cnn(CC(=O)N2CC[NH2+]CC2)c1=O ZINC000128367736 343174331 /nfs/dbraw/zinc/17/43/31/343174331.db2.gz WHTPSCLFOAQSFQ-UHFFFAOYSA-N 1 0 225.252 -1.986 20 0 BAADRO C[C@@H](C[NH3+])C(=O)N[C@@H](C)C(=O)N1CCOCC1 ZINC000128450194 385989073 /nfs/dbraw/zinc/98/90/73/385989073.db2.gz FXXBOSIOBFIJGN-IUCAKERBSA-N 1 0 243.307 -1.055 20 0 BAADRO C[C@H](C[NH3+])C(=O)N[C@@H](C)C(=O)N1CCOCC1 ZINC000128450395 385988445 /nfs/dbraw/zinc/98/84/45/385988445.db2.gz FXXBOSIOBFIJGN-BDAKNGLRSA-N 1 0 243.307 -1.055 20 0 BAADRO C[C@@H](NC(=O)[C@@H](C)C[NH3+])C(=O)N1CCOCC1 ZINC000128450601 385987465 /nfs/dbraw/zinc/98/74/65/385987465.db2.gz FXXBOSIOBFIJGN-DTWKUNHWSA-N 1 0 243.307 -1.055 20 0 BAADRO C[C@H](C[NH3+])C(=O)N[C@H](C)C(=O)N1CCOCC1 ZINC000128450834 385987240 /nfs/dbraw/zinc/98/72/40/385987240.db2.gz FXXBOSIOBFIJGN-RKDXNWHRSA-N 1 0 243.307 -1.055 20 0 BAADRO CC[N@H+](CCCO)CC(=O)NC(N)=O ZINC000128484012 384944352 /nfs/dbraw/zinc/94/43/52/384944352.db2.gz DIVUXQBRVGADHM-UHFFFAOYSA-N 1 0 203.242 -1.114 20 0 BAADRO CN(C)C(=O)CN(C)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000128886306 172362683 /nfs/dbraw/zinc/36/26/83/172362683.db2.gz WQWLYMBWJNBGBW-SECBINFHSA-N 1 0 243.307 -1.089 20 0 BAADRO CN(C)C(=O)CN(C)C(=O)C[C@H]1COCC[NH2+]1 ZINC000128886517 172363149 /nfs/dbraw/zinc/36/31/49/172363149.db2.gz WQWLYMBWJNBGBW-VIFPVBQESA-N 1 0 243.307 -1.089 20 0 BAADRO CCN(CC(=O)NC)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000128907795 591176869 /nfs/dbraw/zinc/17/68/69/591176869.db2.gz GHVOHESQURBZLZ-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO CCN(CC(=O)NC)C(=O)C[C@H]1COCC[NH2+]1 ZINC000128908052 591176957 /nfs/dbraw/zinc/17/69/57/591176957.db2.gz GHVOHESQURBZLZ-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO C[C@H](NC(=O)C[C@@H]1COCC[NH2+]1)C(=O)N(C)C ZINC000128914022 411189428 /nfs/dbraw/zinc/18/94/28/411189428.db2.gz UBVSKXWJXCCFDO-DTWKUNHWSA-N 1 0 243.307 -1.042 20 0 BAADRO C[C@@H](NC(=O)C[C@@H]1COCC[NH2+]1)C(=O)N(C)C ZINC000128914285 343175265 /nfs/dbraw/zinc/17/52/65/343175265.db2.gz UBVSKXWJXCCFDO-RKDXNWHRSA-N 1 0 243.307 -1.042 20 0 BAADRO C[C@H](NC(=O)C[C@H]1COCC[NH2+]1)C(=O)N(C)C ZINC000128914474 411189539 /nfs/dbraw/zinc/18/95/39/411189539.db2.gz UBVSKXWJXCCFDO-IUCAKERBSA-N 1 0 243.307 -1.042 20 0 BAADRO C[C@@H](NC(=O)C[C@H]1COCC[NH2+]1)C(=O)N(C)C ZINC000128914679 343175208 /nfs/dbraw/zinc/17/52/08/343175208.db2.gz UBVSKXWJXCCFDO-BDAKNGLRSA-N 1 0 243.307 -1.042 20 0 BAADRO CCNC(=O)CN(C)C(=O)C[C@H]1COCC[NH2+]1 ZINC000129029014 410368303 /nfs/dbraw/zinc/36/83/03/410368303.db2.gz PUGZMJBFGAXHTA-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO CCc1cc(NC(=O)CNC(=O)C[NH3+])n[nH]1 ZINC000129130270 411232032 /nfs/dbraw/zinc/23/20/32/411232032.db2.gz LLWDIIYDWITJLT-UHFFFAOYSA-N 1 0 225.252 -1.015 20 0 BAADRO C[C@@H]1C(=O)NCCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000129235247 176044924 /nfs/dbraw/zinc/04/49/24/176044924.db2.gz RHVVXJJUXBZXCI-RKDXNWHRSA-N 1 0 241.291 -1.288 20 0 BAADRO C[C@H]1C(=O)NCCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000129235490 177058313 /nfs/dbraw/zinc/05/83/13/177058313.db2.gz RHVVXJJUXBZXCI-DTWKUNHWSA-N 1 0 241.291 -1.288 20 0 BAADRO C[C@@H]1C(=O)NCCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC000129235687 176045388 /nfs/dbraw/zinc/04/53/88/176045388.db2.gz RHVVXJJUXBZXCI-BDAKNGLRSA-N 1 0 241.291 -1.288 20 0 BAADRO C[C@H]1C(=O)NCCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC000129235903 177058583 /nfs/dbraw/zinc/05/85/83/177058583.db2.gz RHVVXJJUXBZXCI-IUCAKERBSA-N 1 0 241.291 -1.288 20 0 BAADRO CN1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1=O ZINC000129287789 173066530 /nfs/dbraw/zinc/06/65/30/173066530.db2.gz SMYOSQFRIOKSIC-SECBINFHSA-N 1 0 241.291 -1.335 20 0 BAADRO CN1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1=O ZINC000129288057 173067611 /nfs/dbraw/zinc/06/76/11/173067611.db2.gz SMYOSQFRIOKSIC-VIFPVBQESA-N 1 0 241.291 -1.335 20 0 BAADRO CC[C@@H]([NH3+])C(=O)NCCNS(=O)(=O)CC ZINC000129326743 387767452 /nfs/dbraw/zinc/76/74/52/387767452.db2.gz VWWMAFAIVKGXQG-SSDOTTSWSA-N 1 0 237.325 -1.221 20 0 BAADRO C[NH+](C)CC(=O)N1CCN(C(=O)CO)CC1 ZINC000129453526 191091906 /nfs/dbraw/zinc/09/19/06/191091906.db2.gz BEQWLTAMSWBDOP-UHFFFAOYSA-N 1 0 229.280 -1.789 20 0 BAADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)Cn1cnnn1 ZINC000129491648 176458239 /nfs/dbraw/zinc/45/82/39/176458239.db2.gz RPFGEANJSVFZML-YUMQZZPRSA-N 1 0 224.268 -1.070 20 0 BAADRO NC(=O)[C@H]1COCCN1C(=O)C1C[NH2+]C1 ZINC000129537816 181283425 /nfs/dbraw/zinc/28/34/25/181283425.db2.gz RAAUCYXFLFZWBZ-SSDOTTSWSA-N 1 0 213.237 -2.082 20 0 BAADRO NC(=O)[C@@H]1COCCN1C(=O)C1C[NH2+]C1 ZINC000129538010 181271623 /nfs/dbraw/zinc/27/16/23/181271623.db2.gz RAAUCYXFLFZWBZ-ZETCQYMHSA-N 1 0 213.237 -2.082 20 0 BAADRO Cn1nccc1S(=O)(=O)NCC[NH3+] ZINC000129695195 385008028 /nfs/dbraw/zinc/00/80/28/385008028.db2.gz FJDVRJKZJIKCIW-UHFFFAOYSA-N 1 0 204.255 -1.343 20 0 BAADRO CN(CC[NH3+])S(=O)(=O)c1ccnn1C ZINC000129697568 355883442 /nfs/dbraw/zinc/88/34/42/355883442.db2.gz VHXHCIQAYZINBJ-UHFFFAOYSA-N 1 0 218.282 -1.001 20 0 BAADRO CS(=O)(=O)NCCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000129776054 591402454 /nfs/dbraw/zinc/40/24/54/591402454.db2.gz QHTLAMJWMDSUFA-QMMMGPOBSA-N 1 0 249.336 -1.221 20 0 BAADRO CS(=O)(=O)NCCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000129776246 591402811 /nfs/dbraw/zinc/40/28/11/591402811.db2.gz QHTLAMJWMDSUFA-MRVPVSSYSA-N 1 0 249.336 -1.221 20 0 BAADRO C[NH2+]CCNS(=O)(=O)c1ccnn1C ZINC000129882049 173356873 /nfs/dbraw/zinc/35/68/73/173356873.db2.gz NWVJSSMNJDZEBD-UHFFFAOYSA-N 1 0 218.282 -1.082 20 0 BAADRO COCC[N@H+](CCC(=O)OC)C[C@H](O)CO ZINC000130742110 642594581 /nfs/dbraw/zinc/59/45/81/642594581.db2.gz MBVSQAVCGWPPDT-VIFPVBQESA-N 1 0 235.280 -1.149 20 0 BAADRO COCC[N@H+](CCC(=O)OC)C[C@@H](O)CO ZINC000130742328 642595491 /nfs/dbraw/zinc/59/54/91/642595491.db2.gz MBVSQAVCGWPPDT-SECBINFHSA-N 1 0 235.280 -1.149 20 0 BAADRO CNC(=O)NC(=O)[C@H](C)N1CC[C@@H]([NH3+])C1 ZINC000130758374 173287963 /nfs/dbraw/zinc/28/79/63/173287963.db2.gz MFZVJTNQMLIOGS-NKWVEPMBSA-N 1 0 214.269 -1.137 20 0 BAADRO CNC(=O)NC(=O)[C@@H](C)N1CC[C@@H]([NH3+])C1 ZINC000130758580 173287982 /nfs/dbraw/zinc/28/79/82/173287982.db2.gz MFZVJTNQMLIOGS-RNFRBKRXSA-N 1 0 214.269 -1.137 20 0 BAADRO C[C@@H](C(=O)NC(N)=O)N1CC[C@@H]([NH3+])C1 ZINC000130765432 398270908 /nfs/dbraw/zinc/27/09/08/398270908.db2.gz NXIVSZGRRADJFT-NTSWFWBYSA-N 1 0 200.242 -1.397 20 0 BAADRO C[C@H](C(=O)NC(N)=O)N1CC[C@@H]([NH3+])C1 ZINC000130765640 398270678 /nfs/dbraw/zinc/27/06/78/398270678.db2.gz NXIVSZGRRADJFT-PHDIDXHHSA-N 1 0 200.242 -1.397 20 0 BAADRO CN(C)S(=O)(=O)CC(=O)NCC[NH+](C)C ZINC000130859554 386185617 /nfs/dbraw/zinc/18/56/17/386185617.db2.gz QQXKAQIBVHERGC-UHFFFAOYSA-N 1 0 237.325 -1.444 20 0 BAADRO C[C@H](O)C[N@H+](C)CCNS(C)(=O)=O ZINC000131128918 385071538 /nfs/dbraw/zinc/07/15/38/385071538.db2.gz DBNUDOKPGBFESF-ZETCQYMHSA-N 1 0 210.299 -1.152 20 0 BAADRO COC(=O)CNC(=O)CC[N@H+](C)C[C@H](C)O ZINC000131184243 358665065 /nfs/dbraw/zinc/66/50/65/358665065.db2.gz SMEFWLAYYWEMRR-QMMMGPOBSA-N 1 0 232.280 -1.022 20 0 BAADRO COC(=O)CNC(=O)CC[N@H+](C)C[C@@H](C)O ZINC000131184453 358664933 /nfs/dbraw/zinc/66/49/33/358664933.db2.gz SMEFWLAYYWEMRR-MRVPVSSYSA-N 1 0 232.280 -1.022 20 0 BAADRO COC(=O)CCNC(=O)C[N@H+](C)C[C@H](C)O ZINC000131246703 358666850 /nfs/dbraw/zinc/66/68/50/358666850.db2.gz NFNPNJQQFWKGGS-QMMMGPOBSA-N 1 0 232.280 -1.022 20 0 BAADRO COC(=O)CCNC(=O)C[N@H+](C)C[C@@H](C)O ZINC000131246866 358666775 /nfs/dbraw/zinc/66/67/75/358666775.db2.gz NFNPNJQQFWKGGS-MRVPVSSYSA-N 1 0 232.280 -1.022 20 0 BAADRO C[C@H](O)C[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000131278737 385081720 /nfs/dbraw/zinc/08/17/20/385081720.db2.gz DGKDDOIRHRUVSO-QWRGUYRKSA-N 1 0 232.324 -1.008 20 0 BAADRO C[C@@H](O)C[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000131278934 385082240 /nfs/dbraw/zinc/08/22/40/385082240.db2.gz DGKDDOIRHRUVSO-MNOVXSKESA-N 1 0 232.324 -1.008 20 0 BAADRO C[C@@H](CO)[N@H+](C)CC(=O)N1CCNC1=O ZINC000132057693 344271064 /nfs/dbraw/zinc/27/10/64/344271064.db2.gz KKMLYLJTCSLVJW-ZETCQYMHSA-N 1 0 215.253 -1.149 20 0 BAADRO C[C@H](CO)[N@H+](C)CC(=O)N1CCNC1=O ZINC000132057866 344270902 /nfs/dbraw/zinc/27/09/02/344270902.db2.gz KKMLYLJTCSLVJW-SSDOTTSWSA-N 1 0 215.253 -1.149 20 0 BAADRO COC(=O)CNC(=O)CC[N@H+](C)[C@@H](C)CO ZINC000132103778 358707679 /nfs/dbraw/zinc/70/76/79/358707679.db2.gz YGXUMVSSTYXTTA-QMMMGPOBSA-N 1 0 232.280 -1.022 20 0 BAADRO COC(=O)CNC(=O)CC[N@H+](C)[C@H](C)CO ZINC000132103970 358707718 /nfs/dbraw/zinc/70/77/18/358707718.db2.gz YGXUMVSSTYXTTA-MRVPVSSYSA-N 1 0 232.280 -1.022 20 0 BAADRO COC(=O)CCNC(=O)C[N@H+](C)[C@@H](C)CO ZINC000132162238 358709790 /nfs/dbraw/zinc/70/97/90/358709790.db2.gz PRGUHIAHDGPEMZ-QMMMGPOBSA-N 1 0 232.280 -1.022 20 0 BAADRO COC(=O)CCNC(=O)C[N@H+](C)[C@H](C)CO ZINC000132162433 358709755 /nfs/dbraw/zinc/70/97/55/358709755.db2.gz PRGUHIAHDGPEMZ-MRVPVSSYSA-N 1 0 232.280 -1.022 20 0 BAADRO CC[C@@H](C(=O)NC(CO)CO)[NH+](C)C ZINC000132319334 358719120 /nfs/dbraw/zinc/71/91/20/358719120.db2.gz YBFNXWPRUIBGKQ-QMMMGPOBSA-N 1 0 204.270 -1.204 20 0 BAADRO CC[C@H](C(=O)NC(CO)CO)[NH+](C)C ZINC000132319557 358719546 /nfs/dbraw/zinc/71/95/46/358719546.db2.gz YBFNXWPRUIBGKQ-MRVPVSSYSA-N 1 0 204.270 -1.204 20 0 BAADRO CC(C)[N@H+](C)CC(=O)NC(CO)CO ZINC000132321376 345327074 /nfs/dbraw/zinc/32/70/74/345327074.db2.gz CWCNHLVLFGAGSE-UHFFFAOYSA-N 1 0 204.270 -1.204 20 0 BAADRO C[NH2+][C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000132448234 384189864 /nfs/dbraw/zinc/18/98/64/384189864.db2.gz BXRPXSMNCRUJMQ-SSDOTTSWSA-N 1 0 210.241 -1.507 20 0 BAADRO C[NH2+][C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000132448439 384189241 /nfs/dbraw/zinc/18/92/41/384189241.db2.gz BXRPXSMNCRUJMQ-ZETCQYMHSA-N 1 0 210.241 -1.507 20 0 BAADRO C[NH2+]C[C@H](C)CNC(=O)Cn1cnnn1 ZINC000132454378 344302467 /nfs/dbraw/zinc/30/24/67/344302467.db2.gz RETKRGLXHOYDTJ-ZETCQYMHSA-N 1 0 212.257 -1.355 20 0 BAADRO C[NH2+]C[C@@H](C)CNC(=O)Cn1cnnn1 ZINC000132454561 344302611 /nfs/dbraw/zinc/30/26/11/344302611.db2.gz RETKRGLXHOYDTJ-SSDOTTSWSA-N 1 0 212.257 -1.355 20 0 BAADRO C[C@](C[NH3+])(NC(=O)Cn1cnnn1)C1CC1 ZINC000132459249 386235228 /nfs/dbraw/zinc/23/52/28/386235228.db2.gz WNVQOQFMBOHEPQ-SECBINFHSA-N 1 0 224.268 -1.083 20 0 BAADRO C[C@@](C[NH3+])(NC(=O)Cn1cnnn1)C1CC1 ZINC000132459426 176508851 /nfs/dbraw/zinc/50/88/51/176508851.db2.gz WNVQOQFMBOHEPQ-VIFPVBQESA-N 1 0 224.268 -1.083 20 0 BAADRO C[NH2+]C[C@@H]1CCCN1C(=O)Cn1cnnn1 ZINC000132477794 173368744 /nfs/dbraw/zinc/36/87/44/173368744.db2.gz KQMKCOFSMWNAMV-QMMMGPOBSA-N 1 0 224.268 -1.117 20 0 BAADRO C[NH2+]C[C@H]1CCCN1C(=O)Cn1cnnn1 ZINC000132477989 173379697 /nfs/dbraw/zinc/37/96/97/173379697.db2.gz KQMKCOFSMWNAMV-MRVPVSSYSA-N 1 0 224.268 -1.117 20 0 BAADRO COCC[NH2+]CC(=O)NCCNC(=O)N(C)C ZINC000132507128 343188082 /nfs/dbraw/zinc/18/80/82/343188082.db2.gz IQCCIZUQKUWNNB-UHFFFAOYSA-N 1 0 246.311 -1.390 20 0 BAADRO C[NH2+][C@@H](C)C(=O)NCCNC(=O)N(C)C ZINC000132602394 343188577 /nfs/dbraw/zinc/18/85/77/343188577.db2.gz ZDUHNVWWHDTMLY-ZETCQYMHSA-N 1 0 216.285 -1.018 20 0 BAADRO CC[NH2+]CC(=O)NCCNC(=O)N(C)C ZINC000132603228 591724286 /nfs/dbraw/zinc/72/42/86/591724286.db2.gz RCIKHGOUCCZKDK-UHFFFAOYSA-N 1 0 216.285 -1.017 20 0 BAADRO OCCC[N@H+](CCO)CCOCCO ZINC000133042611 344312247 /nfs/dbraw/zinc/31/22/47/344312247.db2.gz ZMNJLPHSQUMBAY-UHFFFAOYSA-N 1 0 207.270 -1.328 20 0 BAADRO C[C@H](O)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000133097467 358745279 /nfs/dbraw/zinc/74/52/79/358745279.db2.gz YAHSJDYZGIZPAI-VIFPVBQESA-N 1 0 243.307 -1.400 20 0 BAADRO C[C@@H](O)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000133097689 358745194 /nfs/dbraw/zinc/74/51/94/358745194.db2.gz YAHSJDYZGIZPAI-SECBINFHSA-N 1 0 243.307 -1.400 20 0 BAADRO O=C(NCC1(CO)CC1)[C@@H]1C[NH2+]CCO1 ZINC000133110402 412411225 /nfs/dbraw/zinc/41/12/25/412411225.db2.gz LIRRNAXHJFGZME-QMMMGPOBSA-N 1 0 214.265 -1.137 20 0 BAADRO O=C(NCC1(CO)CC1)[C@H]1C[NH2+]CCO1 ZINC000133110612 412411167 /nfs/dbraw/zinc/41/11/67/412411167.db2.gz LIRRNAXHJFGZME-MRVPVSSYSA-N 1 0 214.265 -1.137 20 0 BAADRO C[NH2+][C@@H]1CCN(CCC(=O)NC(N)=O)C1 ZINC000133152886 384229326 /nfs/dbraw/zinc/22/93/26/384229326.db2.gz AEJVYLDXXUFHSR-SSDOTTSWSA-N 1 0 214.269 -1.135 20 0 BAADRO C[NH2+][C@H]1CCN(CCC(=O)NC(N)=O)C1 ZINC000133153113 384229446 /nfs/dbraw/zinc/22/94/46/384229446.db2.gz AEJVYLDXXUFHSR-ZETCQYMHSA-N 1 0 214.269 -1.135 20 0 BAADRO CNC(=O)NC(=O)CN1CC[C@@H]([NH2+]C)C1 ZINC000133159209 173287068 /nfs/dbraw/zinc/28/70/68/173287068.db2.gz SZQDPAYURFUFQM-SSDOTTSWSA-N 1 0 214.269 -1.264 20 0 BAADRO CNC(=O)NC(=O)CN1CC[C@H]([NH2+]C)C1 ZINC000133159418 173287304 /nfs/dbraw/zinc/28/73/04/173287304.db2.gz SZQDPAYURFUFQM-ZETCQYMHSA-N 1 0 214.269 -1.264 20 0 BAADRO CC[C@](C)([NH2+]CC(=O)N1CCNC1=O)C(N)=O ZINC000133165415 358747240 /nfs/dbraw/zinc/74/72/40/358747240.db2.gz LKDWBQHADSJNJJ-JTQLQIEISA-N 1 0 242.279 -1.218 20 0 BAADRO CC[C@@](C)([NH2+]CC(=O)N1CCNC1=O)C(N)=O ZINC000133165611 358747512 /nfs/dbraw/zinc/74/75/12/358747512.db2.gz LKDWBQHADSJNJJ-SNVBAGLBSA-N 1 0 242.279 -1.218 20 0 BAADRO C[NH2+][C@H]1CCN([C@@H](C)C(=O)NC(N)=O)C1 ZINC000133182943 173466602 /nfs/dbraw/zinc/46/66/02/173466602.db2.gz LUKFWUREFPXBIB-BQBZGAKWSA-N 1 0 214.269 -1.137 20 0 BAADRO C[NH2+][C@H]1CCN([C@H](C)C(=O)NC(N)=O)C1 ZINC000133183164 384231356 /nfs/dbraw/zinc/23/13/56/384231356.db2.gz LUKFWUREFPXBIB-RQJHMYQMSA-N 1 0 214.269 -1.137 20 0 BAADRO CNC(=O)NC(=O)CN(C)CCC[NH3+] ZINC000133203036 344314774 /nfs/dbraw/zinc/31/47/74/344314774.db2.gz IBMNMLVUAOXJHS-UHFFFAOYSA-N 1 0 202.258 -1.277 20 0 BAADRO [NH3+]C[C@H]1CCCN1CCN1C(=O)CNC1=O ZINC000133247039 386287721 /nfs/dbraw/zinc/28/77/21/386287721.db2.gz WPQIHIWFJOKAKD-MRVPVSSYSA-N 1 0 226.280 -1.039 20 0 BAADRO NC(=O)c1c[nH+]ccc1NC[C@H](O)CO ZINC000133426370 181310447 /nfs/dbraw/zinc/31/04/47/181310447.db2.gz QHGCBUJBJDNEHU-LURJTMIESA-N 1 0 211.221 -1.054 20 0 BAADRO NC(=O)c1c[nH+]ccc1NC[C@@H](O)CO ZINC000133426555 181309755 /nfs/dbraw/zinc/30/97/55/181309755.db2.gz QHGCBUJBJDNEHU-ZCFIWIBFSA-N 1 0 211.221 -1.054 20 0 BAADRO COC[C@@H](O)C[NH2+]CC(C)(CO)CO ZINC000133674828 343186057 /nfs/dbraw/zinc/18/60/57/343186057.db2.gz KHUUIPORVPFNHJ-QMMMGPOBSA-N 1 0 207.270 -1.426 20 0 BAADRO COC[C@H](O)C[NH2+]CC(C)(CO)CO ZINC000133675012 343185999 /nfs/dbraw/zinc/18/59/99/343185999.db2.gz KHUUIPORVPFNHJ-MRVPVSSYSA-N 1 0 207.270 -1.426 20 0 BAADRO COC[C@@H](O)C[N@H+](C)CC(C)(CO)CO ZINC000133775063 345386757 /nfs/dbraw/zinc/38/67/57/345386757.db2.gz JZUPVCVSXIKHKL-VIFPVBQESA-N 1 0 221.297 -1.084 20 0 BAADRO C[NH+](C)[C@@H]1CCN(C(=O)Cn2cn[nH]c2=O)C1 ZINC000134169717 388395241 /nfs/dbraw/zinc/39/52/41/388395241.db2.gz ZCNQMZULQXORCJ-MRVPVSSYSA-N 1 0 239.279 -1.266 20 0 BAADRO C[NH+](C)[C@H]1CCN(C(=O)Cn2cn[nH]c2=O)C1 ZINC000134169906 388394866 /nfs/dbraw/zinc/39/48/66/388394866.db2.gz ZCNQMZULQXORCJ-QMMMGPOBSA-N 1 0 239.279 -1.266 20 0 BAADRO C[NH+](C)CCCNC(=O)CN1CC(=O)NC1=O ZINC000134477969 384360334 /nfs/dbraw/zinc/36/03/34/384360334.db2.gz UUDLFBMEOATOPX-UHFFFAOYSA-N 1 0 242.279 -1.394 20 0 BAADRO CN([C@@H]1CCOC1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000134722161 711545971 /nfs/dbraw/zinc/54/59/71/711545971.db2.gz PDUBWQHONMDLLR-SECBINFHSA-N 1 0 249.336 -1.143 20 0 BAADRO CN([C@H]1CCOC1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000134722184 711545812 /nfs/dbraw/zinc/54/58/12/711545812.db2.gz PDUBWQHONMDLLR-VIFPVBQESA-N 1 0 249.336 -1.143 20 0 BAADRO COc1c(N)ncnc1N(C)CC(N)=O ZINC000134823141 343195534 /nfs/dbraw/zinc/19/55/34/343195534.db2.gz VSONBTUWLSJZFO-UHFFFAOYSA-N 1 0 211.225 -1.011 20 0 BAADRO O=C([C@H]1CNC(=O)C1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000134899811 358810318 /nfs/dbraw/zinc/81/03/18/358810318.db2.gz YTJDXLUPWMBIAX-DJLDLDEBSA-N 1 0 223.276 -1.057 20 0 BAADRO O=C([C@@H]1CNC(=O)C1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000134899829 358809674 /nfs/dbraw/zinc/80/96/74/358809674.db2.gz YTJDXLUPWMBIAX-XHNCKOQMSA-N 1 0 223.276 -1.057 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CC([NH+](C)C)C1 ZINC000134927066 325383215 /nfs/dbraw/zinc/38/32/15/325383215.db2.gz SHNPJSPIHCFEEX-ZETCQYMHSA-N 1 0 249.336 -1.304 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CC([NH+](C)C)C1 ZINC000134927088 325383350 /nfs/dbraw/zinc/38/33/50/325383350.db2.gz SHNPJSPIHCFEEX-SSDOTTSWSA-N 1 0 249.336 -1.304 20 0 BAADRO C[NH+](C)C1CN(C(=O)[C@H]2CNC(=O)C2)C1 ZINC000134934709 538114072 /nfs/dbraw/zinc/11/40/72/538114072.db2.gz GXUPRNOSPFUAAO-SSDOTTSWSA-N 1 0 211.265 -1.105 20 0 BAADRO C[NH+](C)C1CN(C(=O)[C@@H]2CNC(=O)C2)C1 ZINC000134934729 538114074 /nfs/dbraw/zinc/11/40/74/538114074.db2.gz GXUPRNOSPFUAAO-ZETCQYMHSA-N 1 0 211.265 -1.105 20 0 BAADRO C[NH+](C)C1CN(C(=O)CSCC(N)=O)C1 ZINC000134970025 325385190 /nfs/dbraw/zinc/38/51/90/325385190.db2.gz HAOAUEOLZRCEGU-UHFFFAOYSA-N 1 0 231.321 -1.023 20 0 BAADRO COCC(=O)N(C)CC(=O)N1CC([NH+](C)C)C1 ZINC000134973769 323026148 /nfs/dbraw/zinc/02/61/48/323026148.db2.gz APSLZUYHFNTXKR-UHFFFAOYSA-N 1 0 243.307 -1.136 20 0 BAADRO CCS(=O)(=O)NCC(=O)N1CC([NH+](C)C)C1 ZINC000134991488 325387294 /nfs/dbraw/zinc/38/72/94/325387294.db2.gz NKMLFLLAAOXNJB-UHFFFAOYSA-N 1 0 249.336 -1.302 20 0 BAADRO CCOC(=O)C[C@H](O)C[NH+](CCO)CCO ZINC000135021816 343450161 /nfs/dbraw/zinc/45/01/61/343450161.db2.gz ZLDNSTBESVJUMK-VIFPVBQESA-N 1 0 235.280 -1.413 20 0 BAADRO CCOC(=O)C[C@@H](O)C[NH+](CCO)CCO ZINC000135021832 343450099 /nfs/dbraw/zinc/45/00/99/343450099.db2.gz ZLDNSTBESVJUMK-SECBINFHSA-N 1 0 235.280 -1.413 20 0 BAADRO COC(=O)[C@@H](O)CNC(=O)C[N@H+](C)C(C)C ZINC000135110926 325393841 /nfs/dbraw/zinc/39/38/41/325393841.db2.gz JPHUFVLGLRBCNW-QMMMGPOBSA-N 1 0 232.280 -1.023 20 0 BAADRO CC[C@@H](C(=O)NC[C@H](O)C(=O)OC)[NH+](C)C ZINC000135112916 325393912 /nfs/dbraw/zinc/39/39/12/325393912.db2.gz SWRKGLHHNSXVIG-YUMQZZPRSA-N 1 0 232.280 -1.023 20 0 BAADRO CC[C@H](C(=O)NC[C@H](O)C(=O)OC)[NH+](C)C ZINC000135112932 325393797 /nfs/dbraw/zinc/39/37/97/325393797.db2.gz SWRKGLHHNSXVIG-SFYZADRCSA-N 1 0 232.280 -1.023 20 0 BAADRO COCCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000135189748 174320163 /nfs/dbraw/zinc/32/01/63/174320163.db2.gz GGPBYIYOZFVDNO-SECBINFHSA-N 1 0 243.307 -1.135 20 0 BAADRO COCCNC(=O)CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000135245842 174320593 /nfs/dbraw/zinc/32/05/93/174320593.db2.gz MGUNYSCGKWFEPL-BDAKNGLRSA-N 1 0 243.307 -1.007 20 0 BAADRO COCCNC(=O)CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000135246357 174320731 /nfs/dbraw/zinc/32/07/31/174320731.db2.gz JFFULILRKAYMNT-NSHDSACASA-N 1 0 243.307 -1.135 20 0 BAADRO COCCNC(=O)CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000135246374 174321730 /nfs/dbraw/zinc/32/17/30/174321730.db2.gz JFFULILRKAYMNT-LLVKDONJSA-N 1 0 243.307 -1.135 20 0 BAADRO COCCNC(=O)CNC(=O)C[NH2+]CC1CC1 ZINC000135246947 174320648 /nfs/dbraw/zinc/32/06/48/174320648.db2.gz JSTLHQGNBIAVEQ-UHFFFAOYSA-N 1 0 243.307 -1.135 20 0 BAADRO O=C(CNC(=O)[C@H]1COCCN1)N1CCCC1 ZINC000135247709 182121968 /nfs/dbraw/zinc/12/19/68/182121968.db2.gz SHNFUDIEMBTOEQ-SECBINFHSA-N 1 0 241.291 -1.287 20 0 BAADRO O=C(CNC(=O)[C@@H]1C[NH2+]CCO1)N1CCCC1 ZINC000135249164 182122003 /nfs/dbraw/zinc/12/20/03/182122003.db2.gz QYIABIBFRPCYLK-VIFPVBQESA-N 1 0 241.291 -1.287 20 0 BAADRO CC[NH2+]CC(=O)NCCC(=O)N1CCOCC1 ZINC000135250193 591999480 /nfs/dbraw/zinc/99/94/80/591999480.db2.gz LYFCWDDMEUOLCM-UHFFFAOYSA-N 1 0 243.307 -1.039 20 0 BAADRO CCN(CC)C(=O)CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000135267203 592000044 /nfs/dbraw/zinc/00/00/44/592000044.db2.gz OQNSQOFTSVYLKL-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO CCN(CC)C(=O)CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000135267226 592000198 /nfs/dbraw/zinc/00/01/98/592000198.db2.gz OQNSQOFTSVYLKL-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO C[C@@H](CO)[N@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC000135514970 358842096 /nfs/dbraw/zinc/84/20/96/358842096.db2.gz FUKNBMPGPOLDRI-QMMMGPOBSA-N 1 0 241.291 -1.103 20 0 BAADRO C[C@H](CO)[N@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC000135514992 358842068 /nfs/dbraw/zinc/84/20/68/358842068.db2.gz FUKNBMPGPOLDRI-MRVPVSSYSA-N 1 0 241.291 -1.103 20 0 BAADRO COCCN(C)S(=O)(=O)NCC[NH+](C)C ZINC000136441960 323031980 /nfs/dbraw/zinc/03/19/80/323031980.db2.gz SHGHTGLWNKLGII-UHFFFAOYSA-N 1 0 239.341 -1.039 20 0 BAADRO C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cnnn1 ZINC000139173296 345792759 /nfs/dbraw/zinc/79/27/59/345792759.db2.gz MDTWUPKOPRYKIR-MRVPVSSYSA-N 1 0 224.268 -1.117 20 0 BAADRO C[N@@H+]1CCC[C@H]1CNC(=O)Cn1cnnn1 ZINC000139173418 345691533 /nfs/dbraw/zinc/69/15/33/345691533.db2.gz MDTWUPKOPRYKIR-QMMMGPOBSA-N 1 0 224.268 -1.117 20 0 BAADRO CCCN(CC(N)=O)c1nc(N)[nH+]c(N)n1 ZINC000142227591 351385352 /nfs/dbraw/zinc/38/53/52/351385352.db2.gz QVPAPUXBQFZTMJ-UHFFFAOYSA-N 1 0 225.256 -1.262 20 0 BAADRO CCCNC(=O)CNc1nc(N)[nH+]c(N)n1 ZINC000142228017 373114141 /nfs/dbraw/zinc/11/41/41/373114141.db2.gz RUSXCDFOMVQBEB-UHFFFAOYSA-N 1 0 225.256 -1.026 20 0 BAADRO CN(C)S(=O)(=O)CCN(C)CCO ZINC000142768895 345701923 /nfs/dbraw/zinc/70/19/23/345701923.db2.gz MHLIIVTUUDMVLQ-UHFFFAOYSA-N 1 0 210.299 -1.198 20 0 BAADRO CNc1nc(NCCO)nc(NCCO)[nH+]1 ZINC000144511317 360529792 /nfs/dbraw/zinc/52/97/92/360529792.db2.gz NAFQGXLIBZXIRJ-UHFFFAOYSA-N 1 0 228.256 -1.278 20 0 BAADRO CCOC(=O)[C@@H](N)C(=O)N1CC[NH2+]CC1 ZINC000145044295 343077078 /nfs/dbraw/zinc/07/70/78/343077078.db2.gz QFSYFVFHBIICKW-ZETCQYMHSA-N 1 0 215.253 -1.691 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)N1CC[NH2+]CC1 ZINC000145044488 344983339 /nfs/dbraw/zinc/98/33/39/344983339.db2.gz QFSYFVFHBIICKW-SSDOTTSWSA-N 1 0 215.253 -1.691 20 0 BAADRO O=c1ccccn1CC[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000147501860 537928632 /nfs/dbraw/zinc/92/86/32/537928632.db2.gz XMORODRIPYDMLT-AOOOYVTPSA-N 1 0 224.260 -1.114 20 0 BAADRO C[NH2+][C@@H]1CCN(S(=O)(=O)N2CCOCC2)C1 ZINC000150132114 398314863 /nfs/dbraw/zinc/31/48/63/398314863.db2.gz KSONDPUTGUENRW-SECBINFHSA-N 1 0 249.336 -1.143 20 0 BAADRO C[NH2+][C@H]1CCN(S(=O)(=O)N2CCOCC2)C1 ZINC000150132328 398314838 /nfs/dbraw/zinc/31/48/38/398314838.db2.gz KSONDPUTGUENRW-VIFPVBQESA-N 1 0 249.336 -1.143 20 0 BAADRO C[NH2+][C@@H]1CCN(CC(=O)NC(N)=O)C1 ZINC000150187770 349789408 /nfs/dbraw/zinc/78/94/08/349789408.db2.gz KFQSTMRRPKXFCP-ZCFIWIBFSA-N 1 0 200.242 -1.525 20 0 BAADRO C[NH2+][C@H]1CCN(CC(=O)NC(N)=O)C1 ZINC000150188006 349789220 /nfs/dbraw/zinc/78/92/20/349789220.db2.gz KFQSTMRRPKXFCP-LURJTMIESA-N 1 0 200.242 -1.525 20 0 BAADRO CCNC(=O)CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000150742609 136273406 /nfs/dbraw/zinc/27/34/06/136273406.db2.gz XKGSEJRTTUOABF-VIFPVBQESA-N 1 0 217.244 -1.060 20 0 BAADRO CCNC(=O)CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000150742623 136273414 /nfs/dbraw/zinc/27/34/14/136273414.db2.gz XKGSEJRTTUOABF-SECBINFHSA-N 1 0 217.244 -1.060 20 0 BAADRO CCOCCNC(=O)CN1CCNCC1=O ZINC000151030011 387793509 /nfs/dbraw/zinc/79/35/09/387793509.db2.gz CHLWGJKCJGPQEZ-UHFFFAOYSA-N 1 0 229.280 -1.429 20 0 BAADRO C[NH2+]CCNC(=O)CN1CSCC1=O ZINC000151307791 173354660 /nfs/dbraw/zinc/35/46/60/173354660.db2.gz NWHFYKRPUTYHBE-UHFFFAOYSA-N 1 0 217.294 -1.145 20 0 BAADRO COCCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000151849327 384842201 /nfs/dbraw/zinc/84/22/01/384842201.db2.gz FVMFRGMLVCLARX-VIFPVBQESA-N 1 0 231.296 -1.152 20 0 BAADRO COCCNC(=O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000151849406 384842641 /nfs/dbraw/zinc/84/26/41/384842641.db2.gz FVMFRGMLVCLARX-SECBINFHSA-N 1 0 231.296 -1.152 20 0 BAADRO CS(=O)(=O)NCCN1CC[C@@H](O)C1 ZINC000152070995 384930946 /nfs/dbraw/zinc/93/09/46/384930946.db2.gz PHQDGPDGUUTOBF-SSDOTTSWSA-N 1 0 208.283 -1.398 20 0 BAADRO COCC[NH2+]CCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC000152402777 344539615 /nfs/dbraw/zinc/53/96/15/344539615.db2.gz NSTOSGUAFZXBSA-SECBINFHSA-N 1 0 243.307 -1.183 20 0 BAADRO COCC[NH2+]CCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC000152402874 344540103 /nfs/dbraw/zinc/54/01/03/344540103.db2.gz NSTOSGUAFZXBSA-VIFPVBQESA-N 1 0 243.307 -1.183 20 0 BAADRO COC[C@H](C)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000152630248 388253417 /nfs/dbraw/zinc/25/34/17/388253417.db2.gz UEIHZYBINSNXKX-DTWKUNHWSA-N 1 0 241.291 -1.336 20 0 BAADRO COC[C@@H](C)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000152630351 388253766 /nfs/dbraw/zinc/25/37/66/388253766.db2.gz UEIHZYBINSNXKX-RKDXNWHRSA-N 1 0 241.291 -1.336 20 0 BAADRO CC[N@H+](C)CCNC(=O)Cn1cn[nH]c1=O ZINC000153381738 388967369 /nfs/dbraw/zinc/96/73/69/388967369.db2.gz WOSPQFHXSHIUFM-UHFFFAOYSA-N 1 0 227.268 -1.361 20 0 BAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000153451022 201239720 /nfs/dbraw/zinc/23/97/20/201239720.db2.gz RMLCHRMEPHPXCA-OCAPTIKFSA-N 1 0 249.336 -1.256 20 0 BAADRO CNS(=O)(=O)CC(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000153451130 201238849 /nfs/dbraw/zinc/23/88/49/201238849.db2.gz RMLCHRMEPHPXCA-YUMQZZPRSA-N 1 0 249.336 -1.256 20 0 BAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000153451222 201239767 /nfs/dbraw/zinc/23/97/67/201239767.db2.gz RMLCHRMEPHPXCA-HTQZYQBOSA-N 1 0 249.336 -1.256 20 0 BAADRO CC[NH+](CC)CC(=O)NC[C@H](O)C(=O)OC ZINC000154375054 326141837 /nfs/dbraw/zinc/14/18/37/326141837.db2.gz WZBZTOPJZWTHLF-QMMMGPOBSA-N 1 0 232.280 -1.022 20 0 BAADRO C[NH2+]C[C@H](C)CNC(=O)[C@@H]1COCCN1 ZINC000154541623 360820813 /nfs/dbraw/zinc/82/08/13/360820813.db2.gz KOQLKIGUTVSGHH-IUCAKERBSA-N 1 0 215.297 -1.054 20 0 BAADRO C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1COCCN1 ZINC000154541760 360820583 /nfs/dbraw/zinc/82/05/83/360820583.db2.gz KOQLKIGUTVSGHH-BDAKNGLRSA-N 1 0 215.297 -1.054 20 0 BAADRO C[NH2+]C[C@H](C)CNC(=O)[C@H]1COCCN1 ZINC000154541870 345041605 /nfs/dbraw/zinc/04/16/05/345041605.db2.gz KOQLKIGUTVSGHH-DTWKUNHWSA-N 1 0 215.297 -1.054 20 0 BAADRO C[NH2+]C[C@@H](C)CNC(=O)[C@H]1COCCN1 ZINC000154541982 360821553 /nfs/dbraw/zinc/82/15/53/360821553.db2.gz KOQLKIGUTVSGHH-RKDXNWHRSA-N 1 0 215.297 -1.054 20 0 BAADRO CNC(=O)CCC[N@H+](C)CC(=O)NC(=O)NC ZINC000154847327 345053858 /nfs/dbraw/zinc/05/38/58/345053858.db2.gz KKMHKIZCNRGISS-UHFFFAOYSA-N 1 0 244.295 -1.100 20 0 BAADRO CNS(=O)(=O)[C@@H]1CC[N@H+](CCO)C1 ZINC000155670924 326206446 /nfs/dbraw/zinc/20/64/46/326206446.db2.gz ICGUHDSQOLUYBD-SSDOTTSWSA-N 1 0 208.283 -1.398 20 0 BAADRO CNS(=O)(=O)[C@H]1CC[N@H+](CCO)C1 ZINC000155671040 326206595 /nfs/dbraw/zinc/20/65/95/326206595.db2.gz ICGUHDSQOLUYBD-ZETCQYMHSA-N 1 0 208.283 -1.398 20 0 BAADRO CC[N@H+](CCO)[C@@H](C)C(=O)NCC(=O)OC ZINC000155748539 326210752 /nfs/dbraw/zinc/21/07/52/326210752.db2.gz JGIOHPGTDJDIIS-QMMMGPOBSA-N 1 0 232.280 -1.022 20 0 BAADRO Cn1cnn(CC(=O)NCC[NH+](C)C)c1=O ZINC000155874430 172458754 /nfs/dbraw/zinc/45/87/54/172458754.db2.gz ZLOQNAKODYVPHW-UHFFFAOYSA-N 1 0 227.268 -1.740 20 0 BAADRO CNS(=O)(=O)[C@@H]1CC[N@H+](CCCO)C1 ZINC000155876639 326213572 /nfs/dbraw/zinc/21/35/72/326213572.db2.gz XJANIQJMGNPQDC-MRVPVSSYSA-N 1 0 222.310 -1.008 20 0 BAADRO CNS(=O)(=O)[C@H]1CC[N@H+](CCCO)C1 ZINC000155876767 323064267 /nfs/dbraw/zinc/06/42/67/323064267.db2.gz XJANIQJMGNPQDC-QMMMGPOBSA-N 1 0 222.310 -1.008 20 0 BAADRO CNC(=O)CC[N@@H+]1CC[C@H](S(=O)(=O)NC)C1 ZINC000156094143 326218657 /nfs/dbraw/zinc/21/86/57/326218657.db2.gz YUBCFDJLQYILGW-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO CNC(=O)CC[N@@H+]1CC[C@@H](S(=O)(=O)NC)C1 ZINC000156094266 326218935 /nfs/dbraw/zinc/21/89/35/326218935.db2.gz YUBCFDJLQYILGW-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@H](CO)C1 ZINC000156185662 345132491 /nfs/dbraw/zinc/13/24/91/345132491.db2.gz WMAIPFQBLLYMGX-IUCAKERBSA-N 1 0 244.291 -1.022 20 0 BAADRO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CO)C1 ZINC000156185775 345132186 /nfs/dbraw/zinc/13/21/86/345132186.db2.gz WMAIPFQBLLYMGX-BDAKNGLRSA-N 1 0 244.291 -1.022 20 0 BAADRO CN1CCO[C@H](C(=O)N2CC(O)C2)C1 ZINC000156388130 345151642 /nfs/dbraw/zinc/15/16/42/345151642.db2.gz QFMFZEUQUYAZNA-QMMMGPOBSA-N 1 0 200.238 -1.480 20 0 BAADRO CN1CCO[C@@H](C(=O)N2CC(O)C2)C1 ZINC000156388255 345151773 /nfs/dbraw/zinc/15/17/73/345151773.db2.gz QFMFZEUQUYAZNA-MRVPVSSYSA-N 1 0 200.238 -1.480 20 0 BAADRO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000156581351 345177903 /nfs/dbraw/zinc/17/79/03/345177903.db2.gz GVPSVXKLLMXJMF-FXQIFTODSA-N 1 0 227.264 -1.116 20 0 BAADRO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000156581451 345177781 /nfs/dbraw/zinc/17/77/81/345177781.db2.gz GVPSVXKLLMXJMF-BIIVOSGPSA-N 1 0 227.264 -1.116 20 0 BAADRO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000156581571 345177918 /nfs/dbraw/zinc/17/79/18/345177918.db2.gz GVPSVXKLLMXJMF-RNJXMRFFSA-N 1 0 227.264 -1.116 20 0 BAADRO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000156581678 345177889 /nfs/dbraw/zinc/17/78/89/345177889.db2.gz GVPSVXKLLMXJMF-XLPZGREQSA-N 1 0 227.264 -1.116 20 0 BAADRO CC(C)(C)[C@H](NC(=O)[C@@H]1C[NH2+]CCO1)C(N)=O ZINC000156825163 384984608 /nfs/dbraw/zinc/98/46/08/384984608.db2.gz OBQRUOPTLIAYPD-JGVFFNPUSA-N 1 0 243.307 -1.009 20 0 BAADRO CC(C)(C)[C@@H](NC(=O)[C@@H]1C[NH2+]CCO1)C(N)=O ZINC000156825314 384984830 /nfs/dbraw/zinc/98/48/30/384984830.db2.gz OBQRUOPTLIAYPD-YUMQZZPRSA-N 1 0 243.307 -1.009 20 0 BAADRO O=C(NCCNC(=O)[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000156832398 384978784 /nfs/dbraw/zinc/97/87/84/384978784.db2.gz QCQXFENDIHBFOV-VIFPVBQESA-N 1 0 241.291 -1.383 20 0 BAADRO O=C(NCCNC(=O)[C@H]1C[NH2+]CCO1)C1CC1 ZINC000156832543 384980185 /nfs/dbraw/zinc/98/01/85/384980185.db2.gz QCQXFENDIHBFOV-SECBINFHSA-N 1 0 241.291 -1.383 20 0 BAADRO COCC[NH2+]CC(=O)NCCNC(=O)C1CC1 ZINC000156832723 384979383 /nfs/dbraw/zinc/97/93/83/384979383.db2.gz CYOIZEGZOJFVEW-UHFFFAOYSA-N 1 0 243.307 -1.135 20 0 BAADRO COCCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000156883241 385005174 /nfs/dbraw/zinc/00/51/74/385005174.db2.gz JUIUODDFDWEHKS-QMMMGPOBSA-N 1 0 229.280 -1.383 20 0 BAADRO COCCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000156883391 385004095 /nfs/dbraw/zinc/00/40/95/385004095.db2.gz JUIUODDFDWEHKS-MRVPVSSYSA-N 1 0 229.280 -1.383 20 0 BAADRO C[NH+](C)C1CN(C(=O)Cn2cn[nH]c2=O)C1 ZINC000157012949 326252849 /nfs/dbraw/zinc/25/28/49/326252849.db2.gz JEXJJPCNFZLXSA-UHFFFAOYSA-N 1 0 225.252 -1.656 20 0 BAADRO CNC(=[NH2+])NCCC(=O)N1CCOCC1 ZINC000157027679 711618983 /nfs/dbraw/zinc/61/89/83/711618983.db2.gz CDAYGOMRIIONEN-UHFFFAOYSA-N 1 0 214.269 -1.021 20 0 BAADRO CCNC(=[NH2+])NCC(=O)NCCOC ZINC000157093467 170041809 /nfs/dbraw/zinc/04/18/09/170041809.db2.gz OKJCOYIBLLFCGP-UHFFFAOYSA-N 1 0 202.258 -1.117 20 0 BAADRO COC(=O)CNC(=O)CC[N@@H+]1CC[C@H](CO)C1 ZINC000157390488 345258864 /nfs/dbraw/zinc/25/88/64/345258864.db2.gz XRKDCBFPIUZTPK-VIFPVBQESA-N 1 0 244.291 -1.020 20 0 BAADRO COC(=O)CNC(=O)CC[N@@H+]1CC[C@@H](CO)C1 ZINC000157390650 345259004 /nfs/dbraw/zinc/25/90/04/345259004.db2.gz XRKDCBFPIUZTPK-SECBINFHSA-N 1 0 244.291 -1.020 20 0 BAADRO COC(=O)CCNC(=O)C[N@@H+]1CC[C@H](CO)C1 ZINC000157455741 385186252 /nfs/dbraw/zinc/18/62/52/385186252.db2.gz MFAPBQAFQFYWKA-VIFPVBQESA-N 1 0 244.291 -1.020 20 0 BAADRO COC(=O)CCNC(=O)C[N@@H+]1CC[C@@H](CO)C1 ZINC000157455902 385187456 /nfs/dbraw/zinc/18/74/56/385187456.db2.gz MFAPBQAFQFYWKA-SECBINFHSA-N 1 0 244.291 -1.020 20 0 BAADRO C[N@H+](CCOCCO)CC(C)(CO)CO ZINC000157504711 386336118 /nfs/dbraw/zinc/33/61/18/386336118.db2.gz HJRWWWMTORMMTB-UHFFFAOYSA-N 1 0 221.297 -1.082 20 0 BAADRO [NH3+][C@H]1CCCN(C(=O)[C@@H]2COCCN2)C1 ZINC000157774374 387870493 /nfs/dbraw/zinc/87/04/93/387870493.db2.gz DPBVONAGMFZBOC-IUCAKERBSA-N 1 0 213.281 -1.076 20 0 BAADRO [NH3+][C@@H]1CCCN(C(=O)[C@@H]2COCCN2)C1 ZINC000157774514 133491706 /nfs/dbraw/zinc/49/17/06/133491706.db2.gz DPBVONAGMFZBOC-BDAKNGLRSA-N 1 0 213.281 -1.076 20 0 BAADRO [NH3+][C@H]1CCCN(C(=O)[C@H]2COCCN2)C1 ZINC000157774654 387872389 /nfs/dbraw/zinc/87/23/89/387872389.db2.gz DPBVONAGMFZBOC-DTWKUNHWSA-N 1 0 213.281 -1.076 20 0 BAADRO [NH3+][C@@H]1CCCN(C(=O)[C@H]2COCCN2)C1 ZINC000157774809 387873141 /nfs/dbraw/zinc/87/31/41/387873141.db2.gz DPBVONAGMFZBOC-RKDXNWHRSA-N 1 0 213.281 -1.076 20 0 BAADRO C[C@H]([NH3+])C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000157877814 387878863 /nfs/dbraw/zinc/87/88/63/387878863.db2.gz SREFMEYUQFWGGO-DTWKUNHWSA-N 1 0 212.297 -1.550 20 0 BAADRO C[C@@H]([NH3+])C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000157877964 387879764 /nfs/dbraw/zinc/87/97/64/387879764.db2.gz SREFMEYUQFWGGO-RKDXNWHRSA-N 1 0 212.297 -1.550 20 0 BAADRO C[C@H]([NH3+])C(=O)NC[C@H]1CN2CCN1CC2 ZINC000157878095 387879712 /nfs/dbraw/zinc/87/97/12/387879712.db2.gz SREFMEYUQFWGGO-IUCAKERBSA-N 1 0 212.297 -1.550 20 0 BAADRO C[C@@H]([NH3+])C(=O)NC[C@H]1CN2CCN1CC2 ZINC000157878246 387880192 /nfs/dbraw/zinc/88/01/92/387880192.db2.gz SREFMEYUQFWGGO-BDAKNGLRSA-N 1 0 212.297 -1.550 20 0 BAADRO COCCN(CC(=O)OC)C(=O)[C@H](C)[NH3+] ZINC000158024855 387889241 /nfs/dbraw/zinc/88/92/41/387889241.db2.gz SFJBFEPJUDUSMK-ZETCQYMHSA-N 1 0 218.253 -1.018 20 0 BAADRO COCCN(CC(=O)OC)C(=O)[C@@H](C)[NH3+] ZINC000158025023 387888950 /nfs/dbraw/zinc/88/89/50/387888950.db2.gz SFJBFEPJUDUSMK-SSDOTTSWSA-N 1 0 218.253 -1.018 20 0 BAADRO COCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC000158043818 385330463 /nfs/dbraw/zinc/33/04/63/385330463.db2.gz JLEVHUQNEFQCQH-UHFFFAOYSA-N 1 0 243.307 -1.039 20 0 BAADRO CCC[C@H](O)CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000158159511 387934136 /nfs/dbraw/zinc/93/41/36/387934136.db2.gz GFXUJGHMYQHDHG-CIUDSAMLSA-N 1 0 216.281 -1.014 20 0 BAADRO COCCN1CCN(C(=O)[C@H](C)[NH3+])CC1=O ZINC000158159537 385357687 /nfs/dbraw/zinc/35/76/87/385357687.db2.gz ZXJGZBKRZIXLKR-QMMMGPOBSA-N 1 0 229.280 -1.349 20 0 BAADRO COCCN1CCN(C(=O)[C@@H](C)[NH3+])CC1=O ZINC000158159690 385358009 /nfs/dbraw/zinc/35/80/09/385358009.db2.gz ZXJGZBKRZIXLKR-MRVPVSSYSA-N 1 0 229.280 -1.349 20 0 BAADRO CCC[C@H](O)CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000158159800 384341575 /nfs/dbraw/zinc/34/15/75/384341575.db2.gz GFXUJGHMYQHDHG-XHNCKOQMSA-N 1 0 216.281 -1.014 20 0 BAADRO CCC[C@@H](O)CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000158159945 326310437 /nfs/dbraw/zinc/31/04/37/326310437.db2.gz GFXUJGHMYQHDHG-HRDYMLBCSA-N 1 0 216.281 -1.014 20 0 BAADRO C[C@@H]([NH3+])C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000158230810 385370303 /nfs/dbraw/zinc/37/03/03/385370303.db2.gz TXNMCEXSYYXYDF-JGVFFNPUSA-N 1 0 249.336 -1.174 20 0 BAADRO C[C@H]([NH3+])C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000158230964 385370273 /nfs/dbraw/zinc/37/02/73/385370273.db2.gz TXNMCEXSYYXYDF-YUMQZZPRSA-N 1 0 249.336 -1.174 20 0 BAADRO CC[C@H]([NH3+])C(=O)NCC(=O)NCCOC ZINC000158293555 351151417 /nfs/dbraw/zinc/15/14/17/351151417.db2.gz IEKVBASOWHVGNP-ZETCQYMHSA-N 1 0 217.269 -1.398 20 0 BAADRO CC[C@@H]([NH3+])C(=O)NCC(=O)NCCOC ZINC000158293692 351151021 /nfs/dbraw/zinc/15/10/21/351151021.db2.gz IEKVBASOWHVGNP-SSDOTTSWSA-N 1 0 217.269 -1.398 20 0 BAADRO CN(CC(=O)N1CC([NH+](C)C)C1)S(C)(=O)=O ZINC000158408848 345330732 /nfs/dbraw/zinc/33/07/32/345330732.db2.gz SCXPICMEIOQYJQ-UHFFFAOYSA-N 1 0 249.336 -1.350 20 0 BAADRO C[NH+](C)C1CN(C(=O)CN2CC(=O)NC2=O)C1 ZINC000158413291 384227659 /nfs/dbraw/zinc/22/76/59/384227659.db2.gz CPBCXXUMWVTGEW-UHFFFAOYSA-N 1 0 240.263 -1.689 20 0 BAADRO C[NH2+]CCCC(=O)NCC(=O)NCCOC ZINC000158441150 345334458 /nfs/dbraw/zinc/33/44/58/345334458.db2.gz BOLHSJXGLOZRFD-UHFFFAOYSA-N 1 0 231.296 -1.135 20 0 BAADRO COCCNC(=O)CNC(=O)CC(C)(C)[NH3+] ZINC000158441565 487957714 /nfs/dbraw/zinc/95/77/14/487957714.db2.gz ZWVVFMBENCCLEV-UHFFFAOYSA-N 1 0 231.296 -1.007 20 0 BAADRO COCCNC(=O)CNC(=O)C(C)(C)C[NH3+] ZINC000158441711 345334410 /nfs/dbraw/zinc/33/44/10/345334410.db2.gz PVUZCOMJTLIZJT-UHFFFAOYSA-N 1 0 231.296 -1.150 20 0 BAADRO CC[NH2+]CC(=O)NCC(=O)NCCOC ZINC000158442025 641635321 /nfs/dbraw/zinc/63/53/21/641635321.db2.gz IBUDPXCIOWXBSK-UHFFFAOYSA-N 1 0 217.269 -1.525 20 0 BAADRO C[NH2+]C[C@H](C)C(=O)NCC(=O)NCCOC ZINC000158442323 134731817 /nfs/dbraw/zinc/73/18/17/134731817.db2.gz UFPZTDRJVNWQSH-QMMMGPOBSA-N 1 0 231.296 -1.279 20 0 BAADRO C[NH2+]C[C@@H](C)C(=O)NCC(=O)NCCOC ZINC000158442476 345334505 /nfs/dbraw/zinc/33/45/05/345334505.db2.gz UFPZTDRJVNWQSH-MRVPVSSYSA-N 1 0 231.296 -1.279 20 0 BAADRO CCN(CC)C(=O)CNC(=O)COCC[NH3+] ZINC000158452723 632940066 /nfs/dbraw/zinc/94/00/66/632940066.db2.gz CSLOTUWKQPHHFJ-UHFFFAOYSA-N 1 0 231.296 -1.054 20 0 BAADRO C[NH2+]CC(=O)N[C@@H](C)C(=O)N1CCOCC1 ZINC000158453738 345337050 /nfs/dbraw/zinc/33/70/50/345337050.db2.gz BEQCSDKAOGWLEH-QMMMGPOBSA-N 1 0 229.280 -1.431 20 0 BAADRO C[NH2+]CC(=O)N[C@H](C)C(=O)N1CCOCC1 ZINC000158453894 345337103 /nfs/dbraw/zinc/33/71/03/345337103.db2.gz BEQCSDKAOGWLEH-MRVPVSSYSA-N 1 0 229.280 -1.431 20 0 BAADRO CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCC[NH3+] ZINC000158684346 487970817 /nfs/dbraw/zinc/97/08/17/487970817.db2.gz ZQAINUUTWARFFS-MRVPVSSYSA-N 1 0 249.336 -1.125 20 0 BAADRO CS(=O)(=O)N1CCCC[C@H]1C(=O)NCC[NH3+] ZINC000158684497 487970834 /nfs/dbraw/zinc/97/08/34/487970834.db2.gz ZQAINUUTWARFFS-QMMMGPOBSA-N 1 0 249.336 -1.125 20 0 BAADRO COCCNC(=O)CNC(=O)C[NH2+]C1CC1 ZINC000158729445 487972298 /nfs/dbraw/zinc/97/22/98/487972298.db2.gz GPUOQRDPXVRMDR-UHFFFAOYSA-N 1 0 229.280 -1.383 20 0 BAADRO CCN(CC)S(=O)(=O)CC(=O)NCC[NH3+] ZINC000158740823 134747244 /nfs/dbraw/zinc/74/72/44/134747244.db2.gz AUFUXMSZJFWTHH-UHFFFAOYSA-N 1 0 237.325 -1.267 20 0 BAADRO CC(C)OCCNC(=O)C(=O)NCC[NH3+] ZINC000158889146 641657192 /nfs/dbraw/zinc/65/71/92/641657192.db2.gz CQUINVVMJHZPAU-UHFFFAOYSA-N 1 0 217.269 -1.398 20 0 BAADRO CN1CCN(C(=O)[C@]2(F)CC[NH2+]C2)CC1=O ZINC000158930955 345389574 /nfs/dbraw/zinc/38/95/74/345389574.db2.gz BWYOAEKXRIZZCZ-JTQLQIEISA-N 1 0 229.255 -1.011 20 0 BAADRO CN1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)CC1=O ZINC000158931078 345389043 /nfs/dbraw/zinc/38/90/43/345389043.db2.gz BWYOAEKXRIZZCZ-SNVBAGLBSA-N 1 0 229.255 -1.011 20 0 BAADRO O=C(Cn1cnnn1)NCC[C@H]1CCC[NH2+]1 ZINC000159234864 345416929 /nfs/dbraw/zinc/41/69/29/345416929.db2.gz NKOYNQDAZYFUJU-MRVPVSSYSA-N 1 0 224.268 -1.069 20 0 BAADRO COC[C@@H]([NH3+])C(=O)NCCCN1CCOCC1 ZINC000159602757 345446016 /nfs/dbraw/zinc/44/60/16/345446016.db2.gz JDTVWIFWGUTMSU-SNVBAGLBSA-N 1 0 245.323 -1.201 20 0 BAADRO CSCCN(C)C(=O)CNC(=O)C[NH3+] ZINC000160006008 323033872 /nfs/dbraw/zinc/03/38/72/323033872.db2.gz RTSNPUBYTBNOEK-UHFFFAOYSA-N 1 0 219.310 -1.117 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)NCCC[NH+](C)C ZINC000160042729 353114506 /nfs/dbraw/zinc/11/45/06/353114506.db2.gz LGZWHNNKPLRJFO-MRVPVSSYSA-N 1 0 231.296 -1.055 20 0 BAADRO CCOC(=O)[C@@H](N)C(=O)NCCC[NH+](C)C ZINC000160042849 353114809 /nfs/dbraw/zinc/11/48/09/353114809.db2.gz LGZWHNNKPLRJFO-QMMMGPOBSA-N 1 0 231.296 -1.055 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)NC[C@@H](C)[NH+](C)C ZINC000160073029 353130541 /nfs/dbraw/zinc/13/05/41/353130541.db2.gz BBEHGAUFEFVUOT-HTQZYQBOSA-N 1 0 231.296 -1.057 20 0 BAADRO CCOC(=O)[C@@H](N)C(=O)NC[C@@H](C)[NH+](C)C ZINC000160073161 353130663 /nfs/dbraw/zinc/13/06/63/353130663.db2.gz BBEHGAUFEFVUOT-SFYZADRCSA-N 1 0 231.296 -1.057 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)NC[C@H](C)[NH+](C)C ZINC000160073279 353130383 /nfs/dbraw/zinc/13/03/83/353130383.db2.gz BBEHGAUFEFVUOT-JGVFFNPUSA-N 1 0 231.296 -1.057 20 0 BAADRO CCOC(=O)[C@@H](N)C(=O)NC[C@H](C)[NH+](C)C ZINC000160073392 353130701 /nfs/dbraw/zinc/13/07/01/353130701.db2.gz BBEHGAUFEFVUOT-YUMQZZPRSA-N 1 0 231.296 -1.057 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)N(C)CCC[NH2+]C ZINC000160120678 353139922 /nfs/dbraw/zinc/13/99/22/353139922.db2.gz COQGXDHPXHVTPL-MRVPVSSYSA-N 1 0 231.296 -1.055 20 0 BAADRO CCOC(=O)[C@@H](N)C(=O)N(C)CCC[NH2+]C ZINC000160120817 353139545 /nfs/dbraw/zinc/13/95/45/353139545.db2.gz COQGXDHPXHVTPL-QMMMGPOBSA-N 1 0 231.296 -1.055 20 0 BAADRO COC(=O)N[C@H]1CC[N@H+](C[C@H](O)CO)C1 ZINC000160315804 711806655 /nfs/dbraw/zinc/80/66/55/711806655.db2.gz SQLOYJBKIRQKKW-YUMQZZPRSA-N 1 0 218.253 -1.230 20 0 BAADRO C[C@@H](CN1CCOCC1)NS(N)(=O)=O ZINC000160852695 361330712 /nfs/dbraw/zinc/33/07/12/361330712.db2.gz XMVSIRIGHMRDKD-ZETCQYMHSA-N 1 0 223.298 -1.500 20 0 BAADRO C[C@H](CN1CCOCC1)NS(N)(=O)=O ZINC000160852825 361330620 /nfs/dbraw/zinc/33/06/20/361330620.db2.gz XMVSIRIGHMRDKD-SSDOTTSWSA-N 1 0 223.298 -1.500 20 0 BAADRO CNS(=O)(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000160912380 359018642 /nfs/dbraw/zinc/01/86/42/359018642.db2.gz XSTMRHLSTPUNCW-KNVOCYPGSA-N 1 0 205.283 -1.398 20 0 BAADRO CCNS(=O)(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000160913547 170134690 /nfs/dbraw/zinc/13/46/90/170134690.db2.gz DTBDBKIRWBRHOZ-OCAPTIKFSA-N 1 0 219.310 -1.008 20 0 BAADRO CO[C@@H](C)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000160921674 487599605 /nfs/dbraw/zinc/59/96/05/487599605.db2.gz JMXJGAQGTLOHAW-QMMMGPOBSA-N 1 0 229.280 -1.431 20 0 BAADRO CO[C@H](C)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000160921803 490130606 /nfs/dbraw/zinc/13/06/06/490130606.db2.gz JMXJGAQGTLOHAW-MRVPVSSYSA-N 1 0 229.280 -1.431 20 0 BAADRO CNS(=O)(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000160950844 711810152 /nfs/dbraw/zinc/81/01/52/711810152.db2.gz HJYLQFOYQDRACN-BQBZGAKWSA-N 1 0 223.298 -1.501 20 0 BAADRO CNS(=O)(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000160950948 711809982 /nfs/dbraw/zinc/80/99/82/711809982.db2.gz HJYLQFOYQDRACN-RQJHMYQMSA-N 1 0 223.298 -1.501 20 0 BAADRO CNS(=O)(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000160951029 711810213 /nfs/dbraw/zinc/81/02/13/711810213.db2.gz HJYLQFOYQDRACN-NKWVEPMBSA-N 1 0 223.298 -1.501 20 0 BAADRO CC(C)OCCNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000161033257 349364576 /nfs/dbraw/zinc/36/45/76/349364576.db2.gz BTTMXSVEKXNZEH-UHFFFAOYSA-N 1 0 243.307 -1.041 20 0 BAADRO COCCNC(=O)CNC(=O)C[NH2+]C(C)C ZINC000161229522 487483082 /nfs/dbraw/zinc/48/30/82/487483082.db2.gz RAFNCCYOLLKCHG-UHFFFAOYSA-N 1 0 231.296 -1.137 20 0 BAADRO COCCNC(=O)CNC(=O)C1([NH3+])CCC1 ZINC000161229811 343204679 /nfs/dbraw/zinc/20/46/79/343204679.db2.gz JPOOVMQULJRDRJ-UHFFFAOYSA-N 1 0 229.280 -1.253 20 0 BAADRO COCCNC(=O)CNC(=O)CC[C@H](C)[NH3+] ZINC000161230704 349404045 /nfs/dbraw/zinc/40/40/45/349404045.db2.gz LESVXEUMBYBUSK-QMMMGPOBSA-N 1 0 231.296 -1.007 20 0 BAADRO COCCNC(=O)CNC(=O)CC[C@@H](C)[NH3+] ZINC000161230827 349403609 /nfs/dbraw/zinc/40/36/09/349403609.db2.gz LESVXEUMBYBUSK-MRVPVSSYSA-N 1 0 231.296 -1.007 20 0 BAADRO CC[C@H](NC(=O)C[NH2+]C)C(=O)N1CCOCC1 ZINC000161773102 386599710 /nfs/dbraw/zinc/59/97/10/386599710.db2.gz NFYGRMZDSVCYGF-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO CC[C@@H](NC(=O)C[NH2+]C)C(=O)N1CCOCC1 ZINC000161773232 386602803 /nfs/dbraw/zinc/60/28/03/386602803.db2.gz NFYGRMZDSVCYGF-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO CCNS(=O)(=O)NCCN1CC[NH2+]CC1 ZINC000162532146 170134406 /nfs/dbraw/zinc/13/44/06/170134406.db2.gz DAYUFDQYCYHSGA-UHFFFAOYSA-N 1 0 236.341 -1.665 20 0 BAADRO CCNS(=O)(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000162553969 487587697 /nfs/dbraw/zinc/58/76/97/487587697.db2.gz USRMXYZWFYTMHE-QMMMGPOBSA-N 1 0 236.341 -1.585 20 0 BAADRO CCNS(=O)(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000162554614 487587729 /nfs/dbraw/zinc/58/77/29/487587729.db2.gz URVSYHUBBWCITL-SFYZADRCSA-N 1 0 237.325 -1.111 20 0 BAADRO CCNS(=O)(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000162554741 487587817 /nfs/dbraw/zinc/58/78/17/487587817.db2.gz URVSYHUBBWCITL-HTQZYQBOSA-N 1 0 237.325 -1.111 20 0 BAADRO NS(=O)(=O)N1CCN(CC[NH3+])CC1 ZINC000162773023 181391928 /nfs/dbraw/zinc/39/19/28/181391928.db2.gz NUFPYLSDQGXQBJ-UHFFFAOYSA-N 1 0 208.287 -2.234 20 0 BAADRO C[NH2+]CC(=O)N[C@H]1CC(=O)N(C(C)C)C1=O ZINC000162800924 173332926 /nfs/dbraw/zinc/33/29/26/173332926.db2.gz KYVGPHQYCBOHKY-ZETCQYMHSA-N 1 0 227.264 -1.142 20 0 BAADRO C[NH2+]CC(=O)N[C@@H]1CC(=O)N(C(C)C)C1=O ZINC000162801027 173332158 /nfs/dbraw/zinc/33/21/58/173332158.db2.gz KYVGPHQYCBOHKY-SSDOTTSWSA-N 1 0 227.264 -1.142 20 0 BAADRO C[C@@H](CO)N(C)CC(=O)N1CCNC(=O)C1 ZINC000163194145 350513926 /nfs/dbraw/zinc/51/39/26/350513926.db2.gz NWTTZWIZMIHXHW-QMMMGPOBSA-N 1 0 229.280 -1.743 20 0 BAADRO C[C@H](CO)N(C)CC(=O)N1CCNC(=O)C1 ZINC000163194265 350513245 /nfs/dbraw/zinc/51/32/45/350513245.db2.gz NWTTZWIZMIHXHW-MRVPVSSYSA-N 1 0 229.280 -1.743 20 0 BAADRO COC(=O)[C@H]1C[C@@H](O)CN1C(=O)C[NH+](C)C ZINC000163267874 636346231 /nfs/dbraw/zinc/34/62/31/636346231.db2.gz OTUKHNBFYQHKRF-HTQZYQBOSA-N 1 0 230.264 -1.317 20 0 BAADRO COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C[NH+](C)C ZINC000163268109 361427594 /nfs/dbraw/zinc/42/75/94/361427594.db2.gz OTUKHNBFYQHKRF-SFYZADRCSA-N 1 0 230.264 -1.317 20 0 BAADRO C[NH+](C)CCCNC(=O)CN1CCNCC1=O ZINC000163399067 388279001 /nfs/dbraw/zinc/27/90/01/388279001.db2.gz LANLPOPUVPYUQJ-UHFFFAOYSA-N 1 0 242.323 -1.514 20 0 BAADRO COC[C@H](O)CN1C[C@H](O)C[C@@H]1C(=O)OC ZINC000163734550 387925379 /nfs/dbraw/zinc/92/53/79/387925379.db2.gz RKQRBBWPWHEQRZ-IWSPIJDZSA-N 1 0 233.264 -1.398 20 0 BAADRO CCNS(=O)(=O)N1CCO[C@H](C[NH3+])C1 ZINC000164461851 133591555 /nfs/dbraw/zinc/59/15/55/133591555.db2.gz AHIUVOXISLCWIY-SSDOTTSWSA-N 1 0 223.298 -1.500 20 0 BAADRO CCNS(=O)(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000164461985 352828672 /nfs/dbraw/zinc/82/86/72/352828672.db2.gz AHIUVOXISLCWIY-ZETCQYMHSA-N 1 0 223.298 -1.500 20 0 BAADRO NCC(F)(F)CNC(=O)Cn1cncn1 ZINC000164890416 487906073 /nfs/dbraw/zinc/90/60/73/487906073.db2.gz BJODFTBUOFZMFN-UHFFFAOYSA-N 1 0 219.195 -1.012 20 0 BAADRO C[C@@H](CO)[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC000164902100 388249591 /nfs/dbraw/zinc/24/95/91/388249591.db2.gz PVEGKFXHXVSFQW-NTSWFWBYSA-N 1 0 203.242 -1.212 20 0 BAADRO C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H](C)CO ZINC000164902222 388249007 /nfs/dbraw/zinc/24/90/07/388249007.db2.gz PVEGKFXHXVSFQW-PHDIDXHHSA-N 1 0 203.242 -1.212 20 0 BAADRO C[C@@H](CO)[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC000164902348 388249183 /nfs/dbraw/zinc/24/91/83/388249183.db2.gz PVEGKFXHXVSFQW-WDSKDSINSA-N 1 0 203.242 -1.212 20 0 BAADRO C[C@H](CO)[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC000164902464 387333057 /nfs/dbraw/zinc/33/30/57/387333057.db2.gz PVEGKFXHXVSFQW-RITPCOANSA-N 1 0 203.242 -1.212 20 0 BAADRO CCNC(=O)NC(=O)CN1CCO[C@H](C[NH3+])C1 ZINC000165002074 385335325 /nfs/dbraw/zinc/33/53/25/385335325.db2.gz NDLVCZXOHZYFJC-MRVPVSSYSA-N 1 0 244.295 -1.508 20 0 BAADRO CCNC(=O)NC(=O)CN1CCO[C@@H](C[NH3+])C1 ZINC000165002202 385335559 /nfs/dbraw/zinc/33/55/59/385335559.db2.gz NDLVCZXOHZYFJC-QMMMGPOBSA-N 1 0 244.295 -1.508 20 0 BAADRO CNC(=O)NC(=O)CCN1CCO[C@H](C[NH3+])C1 ZINC000165024519 385341486 /nfs/dbraw/zinc/34/14/86/385341486.db2.gz SYTMALFAWWJCNN-MRVPVSSYSA-N 1 0 244.295 -1.508 20 0 BAADRO CNC(=O)NC(=O)CCN1CCO[C@@H](C[NH3+])C1 ZINC000165024638 385341079 /nfs/dbraw/zinc/34/10/79/385341079.db2.gz SYTMALFAWWJCNN-QMMMGPOBSA-N 1 0 244.295 -1.508 20 0 BAADRO C[C@@H]([NH3+])[C@H](C)C(=O)NCCNS(C)(=O)=O ZINC000165129958 388251060 /nfs/dbraw/zinc/25/10/60/388251060.db2.gz DVPIDOUGOCWNHD-NKWVEPMBSA-N 1 0 237.325 -1.365 20 0 BAADRO C[C@@H]([NH3+])[C@@H](C)C(=O)NCCNS(C)(=O)=O ZINC000165130082 388250961 /nfs/dbraw/zinc/25/09/61/388250961.db2.gz DVPIDOUGOCWNHD-RNFRBKRXSA-N 1 0 237.325 -1.365 20 0 BAADRO C[C@H]([NH3+])[C@H](C)C(=O)NCCNS(C)(=O)=O ZINC000165130191 388251505 /nfs/dbraw/zinc/25/15/05/388251505.db2.gz DVPIDOUGOCWNHD-BQBZGAKWSA-N 1 0 237.325 -1.365 20 0 BAADRO C[C@@H](C(=O)NCCNS(C)(=O)=O)[C@H](C)[NH3+] ZINC000165130304 388250824 /nfs/dbraw/zinc/25/08/24/388250824.db2.gz DVPIDOUGOCWNHD-RQJHMYQMSA-N 1 0 237.325 -1.365 20 0 BAADRO CNC(=O)NC(=O)CN1CCO[C@H](C[NH3+])C1 ZINC000165512749 353380720 /nfs/dbraw/zinc/38/07/20/353380720.db2.gz AFPIJTNGWWCGMH-SSDOTTSWSA-N 1 0 230.268 -1.899 20 0 BAADRO CNC(=O)NC(=O)CN1CCO[C@@H](C[NH3+])C1 ZINC000165512890 353380920 /nfs/dbraw/zinc/38/09/20/353380920.db2.gz AFPIJTNGWWCGMH-ZETCQYMHSA-N 1 0 230.268 -1.899 20 0 BAADRO [NH3+]C[C@@H]1CN(C(=O)CN2CCCC2=O)CCO1 ZINC000165609544 133665883 /nfs/dbraw/zinc/66/58/83/133665883.db2.gz GDLIZROPASYQEZ-SECBINFHSA-N 1 0 241.291 -1.205 20 0 BAADRO [NH3+]C[C@H]1CN(C(=O)CN2CCCC2=O)CCO1 ZINC000165609683 353407533 /nfs/dbraw/zinc/40/75/33/353407533.db2.gz GDLIZROPASYQEZ-VIFPVBQESA-N 1 0 241.291 -1.205 20 0 BAADRO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CSC(=O)N2)CCO1 ZINC000165630009 135489864 /nfs/dbraw/zinc/48/98/64/135489864.db2.gz IAGRUGDFXWYJNT-RQJHMYQMSA-N 1 0 245.304 -1.003 20 0 BAADRO [NH3+]C[C@H]1CN(C(=O)[C@@H]2CSC(=O)N2)CCO1 ZINC000165630135 386315342 /nfs/dbraw/zinc/31/53/42/386315342.db2.gz IAGRUGDFXWYJNT-BQBZGAKWSA-N 1 0 245.304 -1.003 20 0 BAADRO COCCNC(=O)CNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000165631390 386318202 /nfs/dbraw/zinc/31/82/02/386318202.db2.gz TVQXDMXUTCMFQD-JGVFFNPUSA-N 1 0 231.296 -1.152 20 0 BAADRO COCCNC(=O)CNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000165631530 353415341 /nfs/dbraw/zinc/41/53/41/353415341.db2.gz TVQXDMXUTCMFQD-HTQZYQBOSA-N 1 0 231.296 -1.152 20 0 BAADRO COCCNC(=O)CNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000165631659 353415091 /nfs/dbraw/zinc/41/50/91/353415091.db2.gz TVQXDMXUTCMFQD-YUMQZZPRSA-N 1 0 231.296 -1.152 20 0 BAADRO COCCNC(=O)CNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000165631793 133666427 /nfs/dbraw/zinc/66/64/27/133666427.db2.gz TVQXDMXUTCMFQD-SFYZADRCSA-N 1 0 231.296 -1.152 20 0 BAADRO CC1(OCC(=O)N2CCNC(=O)C2)C[NH2+]C1 ZINC000165825406 488044504 /nfs/dbraw/zinc/04/45/04/488044504.db2.gz FXTVWSUDRFQDDO-UHFFFAOYSA-N 1 0 227.264 -1.677 20 0 BAADRO CC(=O)NCCNC(=O)COC1(C)C[NH2+]C1 ZINC000165825539 488044384 /nfs/dbraw/zinc/04/43/84/488044384.db2.gz KDVGFFFMBONESW-UHFFFAOYSA-N 1 0 229.280 -1.383 20 0 BAADRO CNC(=O)CNC(=O)COC1(C)C[NH2+]C1 ZINC000165825802 488044516 /nfs/dbraw/zinc/04/45/16/488044516.db2.gz YHRUUXLVDGSAMH-UHFFFAOYSA-N 1 0 215.253 -1.773 20 0 BAADRO CN(C)C(=O)CNC(=O)COC1(C)C[NH2+]C1 ZINC000165825959 487630591 /nfs/dbraw/zinc/63/05/91/487630591.db2.gz LJPBWWZGMDVZEI-UHFFFAOYSA-N 1 0 229.280 -1.431 20 0 BAADRO CCNC(=O)CNC(=O)COC1(C)C[NH2+]C1 ZINC000165826089 488044373 /nfs/dbraw/zinc/04/43/73/488044373.db2.gz UOSBTQSRRPSEDE-UHFFFAOYSA-N 1 0 229.280 -1.383 20 0 BAADRO CC1(OCC(=O)NCCC(N)=O)C[NH2+]C1 ZINC000165828040 488044310 /nfs/dbraw/zinc/04/43/10/488044310.db2.gz OBRPKAAORRONEU-UHFFFAOYSA-N 1 0 215.253 -1.644 20 0 BAADRO COC(=O)CNC(=O)COC1(C)C[NH2+]C1 ZINC000165831410 344153947 /nfs/dbraw/zinc/15/39/47/344153947.db2.gz GJUHNVYCMDFQON-UHFFFAOYSA-N 1 0 216.237 -1.346 20 0 BAADRO CNC(=O)CCNC(=O)COC1(C)C[NH2+]C1 ZINC000165833200 488045321 /nfs/dbraw/zinc/04/53/21/488045321.db2.gz ALMAYLQNBDQOQB-UHFFFAOYSA-N 1 0 229.280 -1.383 20 0 BAADRO CC1(OCC(=O)NCCCC(N)=O)C[NH2+]C1 ZINC000165834075 488046064 /nfs/dbraw/zinc/04/60/64/488046064.db2.gz SMQSMJLYDRLZSG-UHFFFAOYSA-N 1 0 229.280 -1.253 20 0 BAADRO CNC(=O)[C@@H](C)NC(=O)COC1(C)C[NH2+]C1 ZINC000165835217 488045704 /nfs/dbraw/zinc/04/57/04/488045704.db2.gz BVPQCZLAHLLTQL-SSDOTTSWSA-N 1 0 229.280 -1.384 20 0 BAADRO O=C(Cn1cn[nH]c1=O)N1CC[NH2+]CC1 ZINC000166578932 326433421 /nfs/dbraw/zinc/43/34/21/326433421.db2.gz MHMPOVVRAZUQNV-UHFFFAOYSA-N 1 0 211.225 -1.997 20 0 BAADRO NS(=O)(=O)N1CCN(CCC[NH3+])CC1 ZINC000167384111 133969391 /nfs/dbraw/zinc/96/93/91/133969391.db2.gz LBJDOCNBNBLKHV-UHFFFAOYSA-N 1 0 222.314 -1.844 20 0 BAADRO CN(CC(=O)N1CC[NH2+]CC1)S(N)(=O)=O ZINC000167411373 638594670 /nfs/dbraw/zinc/59/46/70/638594670.db2.gz XLQZFQHNNCXJRA-UHFFFAOYSA-N 1 0 236.297 -2.447 20 0 BAADRO CN(CCN1CC[NH2+]CC1)S(N)(=O)=O ZINC000167518983 538464704 /nfs/dbraw/zinc/46/47/04/538464704.db2.gz YDWRQAVTUIPQSR-UHFFFAOYSA-N 1 0 222.314 -1.973 20 0 BAADRO CN1CCN(S(N)(=O)=O)[C@H](C[NH3+])C1 ZINC000167534049 346264160 /nfs/dbraw/zinc/26/41/60/346264160.db2.gz QHWBIMMJSLNDSM-ZCFIWIBFSA-N 1 0 208.287 -2.235 20 0 BAADRO CN(C)CC(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000167896965 134154301 /nfs/dbraw/zinc/15/43/01/134154301.db2.gz CZHRWOVUGAZGRL-UHFFFAOYSA-N 1 0 242.323 -1.562 20 0 BAADRO CN(C)CC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000167898467 343209465 /nfs/dbraw/zinc/20/94/65/343209465.db2.gz PVTUAJPPYADDJI-UHFFFAOYSA-N 1 0 228.296 -1.904 20 0 BAADRO [NH3+][C@@H](CNC(=O)Cn1cnnn1)C1CC1 ZINC000168215098 134160142 /nfs/dbraw/zinc/16/01/42/134160142.db2.gz PCRGUTCJBWOQFP-ZETCQYMHSA-N 1 0 210.241 -1.473 20 0 BAADRO [NH3+][C@H](CNC(=O)Cn1cnnn1)C1CC1 ZINC000168215196 134160151 /nfs/dbraw/zinc/16/01/51/134160151.db2.gz PCRGUTCJBWOQFP-SSDOTTSWSA-N 1 0 210.241 -1.473 20 0 BAADRO CC1(C)[C@H]([NH2+]CC(=O)NC(N)=O)C[C@@H]1O ZINC000168220358 343209888 /nfs/dbraw/zinc/20/98/88/343209888.db2.gz NJJTVTLQLGXPPV-RITPCOANSA-N 1 0 215.253 -1.070 20 0 BAADRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC000168220453 343209878 /nfs/dbraw/zinc/20/98/78/343209878.db2.gz NJJTVTLQLGXPPV-WDSKDSINSA-N 1 0 215.253 -1.070 20 0 BAADRO CC1(C)[C@H](O)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC000168220564 343210089 /nfs/dbraw/zinc/21/00/89/343210089.db2.gz NJJTVTLQLGXPPV-PHDIDXHHSA-N 1 0 215.253 -1.070 20 0 BAADRO CC1(C)[C@H](O)C[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC000168220658 343210024 /nfs/dbraw/zinc/21/00/24/343210024.db2.gz NJJTVTLQLGXPPV-NTSWFWBYSA-N 1 0 215.253 -1.070 20 0 BAADRO CCOC(=O)C[C@@H](O)CN1CCOC[C@@H]1CO ZINC000168261926 351361060 /nfs/dbraw/zinc/36/10/60/351361060.db2.gz KCNCTYPCJUUNCY-VHSXEESVSA-N 1 0 247.291 -1.006 20 0 BAADRO C[C@H](NC(=O)COC1(C)C[NH2+]C1)C(N)=O ZINC000168749601 487539360 /nfs/dbraw/zinc/53/93/60/487539360.db2.gz CLUAOZTXTZVINZ-LURJTMIESA-N 1 0 215.253 -1.645 20 0 BAADRO O=C(CN1CC[NH2+]CC1)NCC1(CO)CC1 ZINC000168880790 385391785 /nfs/dbraw/zinc/39/17/85/385391785.db2.gz NAGOZQHLQRXAQS-UHFFFAOYSA-N 1 0 227.308 -1.220 20 0 BAADRO O=S(=O)(NCC1(CO)CC1)N1CC[NH2+]CC1 ZINC000168892212 633152970 /nfs/dbraw/zinc/15/29/70/633152970.db2.gz FSIUQLVISBSRCC-UHFFFAOYSA-N 1 0 249.336 -1.502 20 0 BAADRO CO[C@@H](C)C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000168950473 385394062 /nfs/dbraw/zinc/39/40/62/385394062.db2.gz JMCLBCCMGUYPLE-VIFPVBQESA-N 1 0 243.307 -1.089 20 0 BAADRO CO[C@H](C)C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000168950561 385393273 /nfs/dbraw/zinc/39/32/73/385393273.db2.gz JMCLBCCMGUYPLE-SECBINFHSA-N 1 0 243.307 -1.089 20 0 BAADRO C[C@H]([NH3+])[C@@H]1CN(S(C)(=O)=O)CCO1 ZINC000169156455 487561227 /nfs/dbraw/zinc/56/12/27/487561227.db2.gz PVONBGJCRFIUMJ-BQBZGAKWSA-N 1 0 208.283 -1.006 20 0 BAADRO C[C@@H]([NH3+])[C@@H]1CN(S(C)(=O)=O)CCO1 ZINC000169156549 359433489 /nfs/dbraw/zinc/43/34/89/359433489.db2.gz PVONBGJCRFIUMJ-RQJHMYQMSA-N 1 0 208.283 -1.006 20 0 BAADRO C[C@H]([NH3+])[C@H]1CN(S(C)(=O)=O)CCO1 ZINC000169156615 359433529 /nfs/dbraw/zinc/43/35/29/359433529.db2.gz PVONBGJCRFIUMJ-NKWVEPMBSA-N 1 0 208.283 -1.006 20 0 BAADRO C[C@@H]([NH3+])[C@H]1CN(S(C)(=O)=O)CCO1 ZINC000169156695 359433572 /nfs/dbraw/zinc/43/35/72/359433572.db2.gz PVONBGJCRFIUMJ-RNFRBKRXSA-N 1 0 208.283 -1.006 20 0 BAADRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)N(C)C)CCO1 ZINC000169159922 487561849 /nfs/dbraw/zinc/56/18/49/487561849.db2.gz PVVLOEINWZRSPQ-YUMQZZPRSA-N 1 0 237.325 -1.159 20 0 BAADRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)N(C)C)CCO1 ZINC000169160004 487561828 /nfs/dbraw/zinc/56/18/28/487561828.db2.gz PVVLOEINWZRSPQ-SFYZADRCSA-N 1 0 237.325 -1.159 20 0 BAADRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)N(C)C)CCO1 ZINC000169160089 487561735 /nfs/dbraw/zinc/56/17/35/487561735.db2.gz PVVLOEINWZRSPQ-JGVFFNPUSA-N 1 0 237.325 -1.159 20 0 BAADRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)N(C)C)CCO1 ZINC000169160177 487561795 /nfs/dbraw/zinc/56/17/95/487561795.db2.gz PVVLOEINWZRSPQ-HTQZYQBOSA-N 1 0 237.325 -1.159 20 0 BAADRO CNC(=O)CN1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000169194105 359747032 /nfs/dbraw/zinc/74/70/32/359747032.db2.gz FTUCPCCWJVOQPM-YUMQZZPRSA-N 1 0 201.270 -1.220 20 0 BAADRO CNC(=O)CN1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000169194188 359746969 /nfs/dbraw/zinc/74/69/69/359746969.db2.gz FTUCPCCWJVOQPM-SFYZADRCSA-N 1 0 201.270 -1.220 20 0 BAADRO CNC(=O)CN1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000169194272 359747170 /nfs/dbraw/zinc/74/71/70/359747170.db2.gz FTUCPCCWJVOQPM-JGVFFNPUSA-N 1 0 201.270 -1.220 20 0 BAADRO CNC(=O)CN1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000169194344 346755268 /nfs/dbraw/zinc/75/52/68/346755268.db2.gz FTUCPCCWJVOQPM-HTQZYQBOSA-N 1 0 201.270 -1.220 20 0 BAADRO C[C@H]([NH3+])[C@@H]1CN([C@@H](C)C(N)=O)CCO1 ZINC000169198103 487564588 /nfs/dbraw/zinc/56/45/88/487564588.db2.gz FDBYDJCUZCDONE-FXQIFTODSA-N 1 0 201.270 -1.092 20 0 BAADRO C[C@H]([NH3+])[C@H]1CN([C@@H](C)C(N)=O)CCO1 ZINC000169198259 487564550 /nfs/dbraw/zinc/56/45/50/487564550.db2.gz FDBYDJCUZCDONE-BIIVOSGPSA-N 1 0 201.270 -1.092 20 0 BAADRO CC(C)NC(=O)C(=O)N1CCN(CC[NH3+])CC1 ZINC000170329889 134252327 /nfs/dbraw/zinc/25/23/27/134252327.db2.gz OXUDTCNAVYJNFD-UHFFFAOYSA-N 1 0 242.323 -1.386 20 0 BAADRO [NH3+]CCN1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000170368788 134252668 /nfs/dbraw/zinc/25/26/68/134252668.db2.gz FHPJORZFTJMEAK-UHFFFAOYSA-N 1 0 240.307 -1.632 20 0 BAADRO O=C(NCCN1CC[NH2+]CC1)C(=O)NC1CC1 ZINC000170368790 384505910 /nfs/dbraw/zinc/50/59/10/384505910.db2.gz OFOHAXBVZYQZAC-UHFFFAOYSA-N 1 0 240.307 -1.714 20 0 BAADRO CC[NH+](CC)CCNC(=O)C(=O)N(C)CCO ZINC000170379651 134252615 /nfs/dbraw/zinc/25/26/15/134252615.db2.gz MSKUMLQDFCHBBR-UHFFFAOYSA-N 1 0 245.323 -1.105 20 0 BAADRO COCCN1C[C@@H](C(=O)NCCC[NH3+])CC1=O ZINC000170566088 136270290 /nfs/dbraw/zinc/27/02/90/136270290.db2.gz ITJUWRKGQMNVJD-VIFPVBQESA-N 1 0 243.307 -1.054 20 0 BAADRO COCCN1C[C@H](C(=O)NCCC[NH3+])CC1=O ZINC000170566089 136270208 /nfs/dbraw/zinc/27/02/08/136270208.db2.gz ITJUWRKGQMNVJD-SECBINFHSA-N 1 0 243.307 -1.054 20 0 BAADRO CCS(=O)(=O)NCCNC(=O)C[NH+](C)C ZINC000170775876 364184654 /nfs/dbraw/zinc/18/46/54/364184654.db2.gz JCTCYPJBIFPMJO-UHFFFAOYSA-N 1 0 237.325 -1.397 20 0 BAADRO CNC(=O)CC[N@H+](C)CC(=O)N1CCNC1=O ZINC000170783746 346448800 /nfs/dbraw/zinc/44/88/00/346448800.db2.gz WVDPMRLHSIBENW-UHFFFAOYSA-N 1 0 242.279 -1.394 20 0 BAADRO CNC(=O)CC[N@H+](C)CC(=O)NC(=O)NC ZINC000170791964 134253944 /nfs/dbraw/zinc/25/39/44/134253944.db2.gz FBABEOSGSUCJOS-UHFFFAOYSA-N 1 0 230.268 -1.490 20 0 BAADRO CCNC(=O)NC(=O)C[N@H+](C)CCC(=O)NC ZINC000170792017 170076758 /nfs/dbraw/zinc/07/67/58/170076758.db2.gz ORKCDYRAOZZGAF-UHFFFAOYSA-N 1 0 244.295 -1.100 20 0 BAADRO CNC(=O)CC[N@H+](C)[C@@H](C)C(=O)NC(=O)NC ZINC000170792037 173248641 /nfs/dbraw/zinc/24/86/41/173248641.db2.gz NMSKKXMIKQIYII-ZETCQYMHSA-N 1 0 244.295 -1.102 20 0 BAADRO CNC(=O)CC[N@H+](C)[C@H](C)C(=O)NC(=O)NC ZINC000170792039 173249084 /nfs/dbraw/zinc/24/90/84/173249084.db2.gz NMSKKXMIKQIYII-SSDOTTSWSA-N 1 0 244.295 -1.102 20 0 BAADRO CNC(=O)CC[N@H+](C)CCC(=O)NC(=O)NC ZINC000170820484 134254172 /nfs/dbraw/zinc/25/41/72/134254172.db2.gz KBOJGNGGKPZDRX-UHFFFAOYSA-N 1 0 244.295 -1.100 20 0 BAADRO C[NH+](C)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000170859184 388111955 /nfs/dbraw/zinc/11/19/55/388111955.db2.gz HOWYVNVMIFBGIV-MRVPVSSYSA-N 1 0 224.268 -1.164 20 0 BAADRO C[NH+](C)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000170859187 388112615 /nfs/dbraw/zinc/11/26/15/388112615.db2.gz HOWYVNVMIFBGIV-QMMMGPOBSA-N 1 0 224.268 -1.164 20 0 BAADRO CC[N@H+](CCO)CCCS(N)(=O)=O ZINC000170909115 384532033 /nfs/dbraw/zinc/53/20/33/384532033.db2.gz VDSFBBSHJCTAJE-UHFFFAOYSA-N 1 0 210.299 -1.021 20 0 BAADRO NC(=O)NC(=O)CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000170927988 134255590 /nfs/dbraw/zinc/25/55/90/134255590.db2.gz PMRSUXJHYJOHHY-SSDOTTSWSA-N 1 0 242.279 -1.089 20 0 BAADRO NC(=O)NC(=O)CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000170927991 134255139 /nfs/dbraw/zinc/25/51/39/134255139.db2.gz PMRSUXJHYJOHHY-ZETCQYMHSA-N 1 0 242.279 -1.089 20 0 BAADRO CN1CCO[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC000170935989 134255554 /nfs/dbraw/zinc/25/55/54/134255554.db2.gz OVSMKYIVDCNRNF-RKDXNWHRSA-N 1 0 241.291 -1.288 20 0 BAADRO CNC(=O)CC[N@H+](C)CCNS(C)(=O)=O ZINC000170958323 134255751 /nfs/dbraw/zinc/25/57/51/134255751.db2.gz ANBFQNFKHUMRJM-UHFFFAOYSA-N 1 0 237.325 -1.397 20 0 BAADRO COCC[N@H+](C)CCNC(=O)[C@H](C)NC(N)=O ZINC000171128966 134256897 /nfs/dbraw/zinc/25/68/97/134256897.db2.gz LMKFUVMMIYNGAY-QMMMGPOBSA-N 1 0 246.311 -1.262 20 0 BAADRO COCC[N@H+](C)CCNC(=O)[C@@H](C)NC(N)=O ZINC000171128968 134256945 /nfs/dbraw/zinc/25/69/45/134256945.db2.gz LMKFUVMMIYNGAY-MRVPVSSYSA-N 1 0 246.311 -1.262 20 0 BAADRO COCC[N@H+](C)CCNC(=O)CCNC(N)=O ZINC000171129706 365171853 /nfs/dbraw/zinc/17/18/53/365171853.db2.gz DWKVGQIJHHLZMH-UHFFFAOYSA-N 1 0 246.311 -1.261 20 0 BAADRO COCC[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1 ZINC000171138936 134256900 /nfs/dbraw/zinc/25/69/00/134256900.db2.gz ADKZLVFCEMSGLS-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO COCC[N@H+](C)CCNC(=O)[C@H]1CCC(=O)N1 ZINC000171138944 134256948 /nfs/dbraw/zinc/25/69/48/134256948.db2.gz ADKZLVFCEMSGLS-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO CNC(=O)CNC(=O)NCC[N@H+](C)CCOC ZINC000171191709 365178119 /nfs/dbraw/zinc/17/81/19/365178119.db2.gz ZWZTZIZKOUXNAE-UHFFFAOYSA-N 1 0 246.311 -1.390 20 0 BAADRO COCC[N@H+](C)CCNC(=O)NCCC(N)=O ZINC000171194785 346810620 /nfs/dbraw/zinc/81/06/20/346810620.db2.gz QMHRNPLHPKHSLC-UHFFFAOYSA-N 1 0 246.311 -1.261 20 0 BAADRO CNC(=O)NC(=O)CC[N@@H+]1CCNC(=O)CC1 ZINC000171505070 388126980 /nfs/dbraw/zinc/12/69/80/388126980.db2.gz OIRFNXWXOWINAS-UHFFFAOYSA-N 1 0 242.279 -1.346 20 0 BAADRO COC[C@@H](O)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000171971283 536733040 /nfs/dbraw/zinc/73/30/40/536733040.db2.gz ZQIFYXTWGVUGKQ-JGVFFNPUSA-N 1 0 202.254 -1.057 20 0 BAADRO COCCN(C[C@H](O)COC)[C@@H](C)C(N)=O ZINC000171973441 134263300 /nfs/dbraw/zinc/26/33/00/134263300.db2.gz XEYQYIQXUTZKEG-IUCAKERBSA-N 1 0 234.296 -1.184 20 0 BAADRO COCCN(C[C@H](O)COC)[C@H](C)C(N)=O ZINC000171973443 134263336 /nfs/dbraw/zinc/26/33/36/134263336.db2.gz XEYQYIQXUTZKEG-BDAKNGLRSA-N 1 0 234.296 -1.184 20 0 BAADRO NC(=O)CN1CCC[C@H](OCCO)C1 ZINC000172296672 134265177 /nfs/dbraw/zinc/26/51/77/134265177.db2.gz NWSPXRPCDXVDGZ-QMMMGPOBSA-N 1 0 202.254 -1.055 20 0 BAADRO NC(=O)CN1CCC[C@@H](OCCO)C1 ZINC000172296676 134265296 /nfs/dbraw/zinc/26/52/96/134265296.db2.gz NWSPXRPCDXVDGZ-MRVPVSSYSA-N 1 0 202.254 -1.055 20 0 BAADRO COCC[N@H+](CCO)CCCS(N)(=O)=O ZINC000172566570 384499181 /nfs/dbraw/zinc/49/91/81/384499181.db2.gz YQXGULXNSDCSOT-UHFFFAOYSA-N 1 0 240.325 -1.394 20 0 BAADRO CN(CCOCCO)CC(=O)N1CCOCC1 ZINC000172625118 385037527 /nfs/dbraw/zinc/03/75/27/385037527.db2.gz JLIJQGPYPWQBJG-UHFFFAOYSA-N 1 0 246.307 -1.214 20 0 BAADRO CC(=O)N1CC(NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC000173214788 134272730 /nfs/dbraw/zinc/27/27/30/134272730.db2.gz PHXDIWPIQCFRMJ-JTQLQIEISA-N 1 0 241.291 -1.336 20 0 BAADRO CC(=O)N1CC(NC(=O)[C@H]2CN(C)CCO2)C1 ZINC000173214801 134273036 /nfs/dbraw/zinc/27/30/36/134273036.db2.gz PHXDIWPIQCFRMJ-SNVBAGLBSA-N 1 0 241.291 -1.336 20 0 BAADRO COCCC[N@H+](C)CCNS(N)(=O)=O ZINC000173429545 536509392 /nfs/dbraw/zinc/50/93/92/536509392.db2.gz UKNPVQBCMLBKQF-UHFFFAOYSA-N 1 0 225.314 -1.252 20 0 BAADRO COC(=O)CNC(=O)C[N@H+](C)CC(C)(C)O ZINC000173755907 384262848 /nfs/dbraw/zinc/26/28/48/384262848.db2.gz RWPPHGWOXGEDJW-UHFFFAOYSA-N 1 0 232.280 -1.022 20 0 BAADRO NS(=O)(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000175465583 134287286 /nfs/dbraw/zinc/28/72/86/134287286.db2.gz IWCBXCZPQTWERE-UHFFFAOYSA-N 1 0 249.336 -1.014 20 0 BAADRO CN1CC[C@H](N2CCN3C(=O)NC[C@@H]3C2)C1=O ZINC000175877826 134288533 /nfs/dbraw/zinc/28/85/33/134288533.db2.gz REDSYSTYCWYFLR-BDAKNGLRSA-N 1 0 238.291 -1.074 20 0 BAADRO CC[N@H+](CCO)CC(=O)NCC(=O)OC ZINC000176033939 388449588 /nfs/dbraw/zinc/44/95/88/388449588.db2.gz JAIFOQOGJRCRNG-UHFFFAOYSA-N 1 0 218.253 -1.410 20 0 BAADRO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)C(=O)NC ZINC000176371387 173286223 /nfs/dbraw/zinc/28/62/23/173286223.db2.gz OFLXILWSVHPQHU-ZETCQYMHSA-N 1 0 244.295 -1.244 20 0 BAADRO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)C(=O)NC ZINC000176371401 173286570 /nfs/dbraw/zinc/28/65/70/173286570.db2.gz OFLXILWSVHPQHU-SSDOTTSWSA-N 1 0 244.295 -1.244 20 0 BAADRO CNC(=O)[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC000176371474 134291330 /nfs/dbraw/zinc/29/13/30/134291330.db2.gz RCGAGEJGSDUTCZ-BQBZGAKWSA-N 1 0 244.295 -1.116 20 0 BAADRO CNC(=O)[C@H](C)C[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC000176371489 134291551 /nfs/dbraw/zinc/29/15/51/134291551.db2.gz RCGAGEJGSDUTCZ-RQJHMYQMSA-N 1 0 244.295 -1.116 20 0 BAADRO C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000177353381 134300111 /nfs/dbraw/zinc/30/01/11/134300111.db2.gz QKLGVPDKWCPRGV-UWVGGRQHSA-N 1 0 245.323 -1.515 20 0 BAADRO C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000177353397 134300044 /nfs/dbraw/zinc/30/00/44/134300044.db2.gz QKLGVPDKWCPRGV-ZJUUUORDSA-N 1 0 245.323 -1.515 20 0 BAADRO CCC[N@H+](CCO)CC(=O)NCC(=O)OC ZINC000177632206 386587529 /nfs/dbraw/zinc/58/75/29/386587529.db2.gz XEDWZHRSMJIBPP-UHFFFAOYSA-N 1 0 232.280 -1.020 20 0 BAADRO COC(=O)CNC(=O)C[N@H+](CCO)C(C)C ZINC000177632251 134300583 /nfs/dbraw/zinc/30/05/83/134300583.db2.gz NSMQSLNJXWTEPO-UHFFFAOYSA-N 1 0 232.280 -1.022 20 0 BAADRO CN(CC[NH+](C)C)C(=O)CN1CC(=O)NC1=O ZINC000177682632 385272493 /nfs/dbraw/zinc/27/24/93/385272493.db2.gz VIYYQDZVEDBFIZ-UHFFFAOYSA-N 1 0 242.279 -1.442 20 0 BAADRO CN(CC[NH+](C)C)C(=O)Cn1cnnn1 ZINC000177685862 385270272 /nfs/dbraw/zinc/27/02/72/385270272.db2.gz AUZMPAVDZSEWRV-UHFFFAOYSA-N 1 0 212.257 -1.307 20 0 BAADRO C[C@]1(O)CC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000177975568 385155374 /nfs/dbraw/zinc/15/53/74/385155374.db2.gz DDFBFOQLXBCGAZ-JTQLQIEISA-N 1 0 227.264 -1.005 20 0 BAADRO C[C@@]1(O)CC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000177975586 385153114 /nfs/dbraw/zinc/15/31/14/385153114.db2.gz DDFBFOQLXBCGAZ-SNVBAGLBSA-N 1 0 227.264 -1.005 20 0 BAADRO C[C@]1(O)CC[N@H+](CCNS(C)(=O)=O)C1 ZINC000178007545 385173565 /nfs/dbraw/zinc/17/35/65/385173565.db2.gz SJPJIWAZDYCONV-QMMMGPOBSA-N 1 0 222.310 -1.008 20 0 BAADRO C[C@@]1(O)CC[N@H+](CCNS(C)(=O)=O)C1 ZINC000178007559 385171735 /nfs/dbraw/zinc/17/17/35/385171735.db2.gz SJPJIWAZDYCONV-MRVPVSSYSA-N 1 0 222.310 -1.008 20 0 BAADRO CNC(=O)NC(=O)C[N@@H+]1CC[C@](C)(O)C1 ZINC000178012970 385172850 /nfs/dbraw/zinc/17/28/50/385172850.db2.gz DCNJKGINNKGJAH-VIFPVBQESA-N 1 0 215.253 -1.101 20 0 BAADRO CNC(=O)NC(=O)C[N@@H+]1CC[C@@](C)(O)C1 ZINC000178012977 385172609 /nfs/dbraw/zinc/17/26/09/385172609.db2.gz DCNJKGINNKGJAH-SECBINFHSA-N 1 0 215.253 -1.101 20 0 BAADRO CCS(=O)(=O)NCCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000178013969 134302554 /nfs/dbraw/zinc/30/25/54/134302554.db2.gz GYCDIQFCHNLVBQ-QMMMGPOBSA-N 1 0 249.336 -1.206 20 0 BAADRO O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1COCCN1 ZINC000178388852 134309183 /nfs/dbraw/zinc/30/91/83/134309183.db2.gz HUCBAJVUJRCSJU-BDAKNGLRSA-N 1 0 213.281 -1.157 20 0 BAADRO O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1COCCN1 ZINC000178388863 134309321 /nfs/dbraw/zinc/30/93/21/134309321.db2.gz HUCBAJVUJRCSJU-RKDXNWHRSA-N 1 0 213.281 -1.157 20 0 BAADRO COC[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)CCO1 ZINC000178578632 536578892 /nfs/dbraw/zinc/57/88/92/536578892.db2.gz FCOJOUGGESDDDN-ZJUUUORDSA-N 1 0 244.291 -1.151 20 0 BAADRO COC[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CCO1 ZINC000178578641 134311806 /nfs/dbraw/zinc/31/18/06/134311806.db2.gz FCOJOUGGESDDDN-VHSXEESVSA-N 1 0 244.291 -1.151 20 0 BAADRO COC[C@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CCO1 ZINC000178578650 536580514 /nfs/dbraw/zinc/58/05/14/536580514.db2.gz FCOJOUGGESDDDN-NXEZZACHSA-N 1 0 244.291 -1.151 20 0 BAADRO O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1COCCN1 ZINC000178722514 346710624 /nfs/dbraw/zinc/71/06/24/346710624.db2.gz FMCGOFDZQJTAIM-BDAKNGLRSA-N 1 0 213.281 -1.157 20 0 BAADRO O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1COCCN1 ZINC000178722529 134310614 /nfs/dbraw/zinc/31/06/14/134310614.db2.gz FMCGOFDZQJTAIM-IUCAKERBSA-N 1 0 213.281 -1.157 20 0 BAADRO O=C(NC[C@H]1CCC[NH2+]1)[C@H]1COCCN1 ZINC000178722626 134310390 /nfs/dbraw/zinc/31/03/90/134310390.db2.gz FMCGOFDZQJTAIM-RKDXNWHRSA-N 1 0 213.281 -1.157 20 0 BAADRO O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1COCCN1 ZINC000178722636 134310659 /nfs/dbraw/zinc/31/06/59/134310659.db2.gz FMCGOFDZQJTAIM-DTWKUNHWSA-N 1 0 213.281 -1.157 20 0 BAADRO CN(CC(=O)NC[C@@H]1CCC[NH2+]1)S(C)(=O)=O ZINC000178756617 134311065 /nfs/dbraw/zinc/31/10/65/134311065.db2.gz BFBPAZHCZVGQQW-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO CN(CC(=O)NC[C@H]1CCC[NH2+]1)S(C)(=O)=O ZINC000178756628 134310891 /nfs/dbraw/zinc/31/08/91/134310891.db2.gz BFBPAZHCZVGQQW-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178764964 134311392 /nfs/dbraw/zinc/31/13/92/134311392.db2.gz OYNQKPKBNMHUSQ-YUMQZZPRSA-N 1 0 249.336 -1.208 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178764976 134311449 /nfs/dbraw/zinc/31/14/49/134311449.db2.gz OYNQKPKBNMHUSQ-SFYZADRCSA-N 1 0 249.336 -1.208 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000178764985 134311324 /nfs/dbraw/zinc/31/13/24/134311324.db2.gz OYNQKPKBNMHUSQ-JGVFFNPUSA-N 1 0 249.336 -1.208 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000178764995 134311323 /nfs/dbraw/zinc/31/13/23/134311323.db2.gz OYNQKPKBNMHUSQ-HTQZYQBOSA-N 1 0 249.336 -1.208 20 0 BAADRO CCNS(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000178846381 535491719 /nfs/dbraw/zinc/49/17/19/535491719.db2.gz BJFGFPZBHSTTPG-QMMMGPOBSA-N 1 0 239.341 -1.257 20 0 BAADRO CCNS(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000178846390 535489971 /nfs/dbraw/zinc/48/99/71/535489971.db2.gz BJFGFPZBHSTTPG-MRVPVSSYSA-N 1 0 239.341 -1.257 20 0 BAADRO C[NH+](C)CCCNC(=O)CN1CCNC(=O)C1 ZINC000178974041 636048740 /nfs/dbraw/zinc/04/87/40/636048740.db2.gz JQEIRLKXFFFEJC-UHFFFAOYSA-N 1 0 242.323 -1.514 20 0 BAADRO C[NH+](C)CC(=O)NC[C@@H]1CN2CCN1CC2 ZINC000179024522 134314478 /nfs/dbraw/zinc/31/44/78/134314478.db2.gz OPSPPGKTNWVGAN-SNVBAGLBSA-N 1 0 226.324 -1.336 20 0 BAADRO C[NH+](C)CC(=O)NC[C@H]1CN2CCN1CC2 ZINC000179024531 134314533 /nfs/dbraw/zinc/31/45/33/134314533.db2.gz OPSPPGKTNWVGAN-JTQLQIEISA-N 1 0 226.324 -1.336 20 0 BAADRO CN(C(=O)[C@@H]1COCCN1)[C@@H]1CC[NH2+]C1 ZINC000179052189 134314460 /nfs/dbraw/zinc/31/44/60/134314460.db2.gz FSDGEXBRUCMUIH-BDAKNGLRSA-N 1 0 213.281 -1.205 20 0 BAADRO CN(C(=O)[C@@H]1COCCN1)[C@H]1CC[NH2+]C1 ZINC000179052198 134314731 /nfs/dbraw/zinc/31/47/31/134314731.db2.gz FSDGEXBRUCMUIH-IUCAKERBSA-N 1 0 213.281 -1.205 20 0 BAADRO CN(C(=O)[C@H]1COCCN1)[C@@H]1CC[NH2+]C1 ZINC000179052205 134314522 /nfs/dbraw/zinc/31/45/22/134314522.db2.gz FSDGEXBRUCMUIH-RKDXNWHRSA-N 1 0 213.281 -1.205 20 0 BAADRO CN(C(=O)[C@H]1COCCN1)[C@H]1CC[NH2+]C1 ZINC000179052214 134314470 /nfs/dbraw/zinc/31/44/70/134314470.db2.gz FSDGEXBRUCMUIH-DTWKUNHWSA-N 1 0 213.281 -1.205 20 0 BAADRO CN(CC(=O)N(C)[C@@H]1CC[NH2+]C1)S(C)(=O)=O ZINC000179088949 134314656 /nfs/dbraw/zinc/31/46/56/134314656.db2.gz WVQMGXMPPPDEMK-MRVPVSSYSA-N 1 0 249.336 -1.302 20 0 BAADRO CN(CC(=O)N(C)[C@H]1CC[NH2+]C1)S(C)(=O)=O ZINC000179088960 134314671 /nfs/dbraw/zinc/31/46/71/134314671.db2.gz WVQMGXMPPPDEMK-QMMMGPOBSA-N 1 0 249.336 -1.302 20 0 BAADRO C[C@@H]1C[NH2+]CCN1C(=O)CCNS(C)(=O)=O ZINC000179110105 366206610 /nfs/dbraw/zinc/20/66/10/366206610.db2.gz MFBUBDAVTHSNAN-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO C[C@H]1C[NH2+]CCN1C(=O)CCNS(C)(=O)=O ZINC000179120349 366207198 /nfs/dbraw/zinc/20/71/98/366207198.db2.gz MFBUBDAVTHSNAN-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO CC(C)[N@H+](CCO)CC(=O)N1CCNC(=O)C1 ZINC000179183983 134317927 /nfs/dbraw/zinc/31/79/27/134317927.db2.gz TYIPBUQIJGUICS-UHFFFAOYSA-N 1 0 243.307 -1.353 20 0 BAADRO COCC[NH2+]CCNS(=O)(=O)CCOC ZINC000179378803 134316538 /nfs/dbraw/zinc/31/65/38/134316538.db2.gz AUPSLNWNOGJJCH-UHFFFAOYSA-N 1 0 240.325 -1.212 20 0 BAADRO COCC[NH2+]CCNS(=O)(=O)N(C)C ZINC000179380064 134316438 /nfs/dbraw/zinc/31/64/38/134316438.db2.gz BDHBULWHAWSTIA-UHFFFAOYSA-N 1 0 225.314 -1.382 20 0 BAADRO CC[N@H+](C)CCNC(=O)Cn1ncn(C)c1=O ZINC000179496428 385469537 /nfs/dbraw/zinc/46/95/37/385469537.db2.gz YVBSAQQVXANDML-UHFFFAOYSA-N 1 0 241.295 -1.350 20 0 BAADRO CC(C)[C@H]([NH2+]CC(N)=O)C(=O)N1CCOCC1 ZINC000180056454 386241568 /nfs/dbraw/zinc/24/15/68/386241568.db2.gz AJZGZERIQMIKSW-JTQLQIEISA-N 1 0 243.307 -1.055 20 0 BAADRO CC(C)[C@@H]([NH2+]CC(N)=O)C(=O)N1CCOCC1 ZINC000180056472 386241990 /nfs/dbraw/zinc/24/19/90/386241990.db2.gz AJZGZERIQMIKSW-SNVBAGLBSA-N 1 0 243.307 -1.055 20 0 BAADRO C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cn[nH]c1=O ZINC000180548501 536372139 /nfs/dbraw/zinc/37/21/39/536372139.db2.gz XNISDABXIBLWRO-MRVPVSSYSA-N 1 0 239.279 -1.218 20 0 BAADRO C[N@@H+]1CCC[C@H]1CNC(=O)Cn1cn[nH]c1=O ZINC000180548522 536391110 /nfs/dbraw/zinc/39/11/10/536391110.db2.gz XNISDABXIBLWRO-QMMMGPOBSA-N 1 0 239.279 -1.218 20 0 BAADRO CC(C)[C@@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000180609074 535202641 /nfs/dbraw/zinc/20/26/41/535202641.db2.gz XEBRLIUCVLPCHY-SECBINFHSA-N 1 0 243.307 -1.449 20 0 BAADRO C[NH+](C)CC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000180949118 134332521 /nfs/dbraw/zinc/33/25/21/134332521.db2.gz ZZMIPVRFTUTXQM-UHFFFAOYSA-N 1 0 239.279 -1.183 20 0 BAADRO COC(=O)[C@H](CO)NC(=O)C[N@H+](C)C(C)C ZINC000181417998 134338901 /nfs/dbraw/zinc/33/89/01/134338901.db2.gz ZNQBDFNHLBTVSP-QMMMGPOBSA-N 1 0 232.280 -1.023 20 0 BAADRO COC(=O)[C@@H](CO)NC(=O)C[N@H+](C)C(C)C ZINC000181418024 536448314 /nfs/dbraw/zinc/44/83/14/536448314.db2.gz ZNQBDFNHLBTVSP-MRVPVSSYSA-N 1 0 232.280 -1.023 20 0 BAADRO COC[C@@H](O)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000181993994 536734653 /nfs/dbraw/zinc/73/46/53/536734653.db2.gz ZQIFYXTWGVUGKQ-YUMQZZPRSA-N 1 0 202.254 -1.057 20 0 BAADRO CC[C@@H](C(=O)NNC(=O)CO)[NH+](C)C ZINC000182749899 711896679 /nfs/dbraw/zinc/89/66/79/711896679.db2.gz HGPNDJBMXZHTBI-LURJTMIESA-N 1 0 203.242 -1.534 20 0 BAADRO CC[C@H](C(=O)NNC(=O)CO)[NH+](C)C ZINC000182749920 711896592 /nfs/dbraw/zinc/89/65/92/711896592.db2.gz HGPNDJBMXZHTBI-ZCFIWIBFSA-N 1 0 203.242 -1.534 20 0 BAADRO COC(=O)CNC(=O)C[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000183180984 385740332 /nfs/dbraw/zinc/74/03/32/385740332.db2.gz FHYDQOOYHJQUFS-DTWKUNHWSA-N 1 0 244.291 -1.022 20 0 BAADRO COC(=O)CNC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000183181000 386465004 /nfs/dbraw/zinc/46/50/04/386465004.db2.gz FHYDQOOYHJQUFS-RKDXNWHRSA-N 1 0 244.291 -1.022 20 0 BAADRO COC(=O)CNC(=O)C[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000183181013 386464780 /nfs/dbraw/zinc/46/47/80/386464780.db2.gz FHYDQOOYHJQUFS-IUCAKERBSA-N 1 0 244.291 -1.022 20 0 BAADRO COC(=O)CNC(=O)C[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000183181030 386466126 /nfs/dbraw/zinc/46/61/26/386466126.db2.gz FHYDQOOYHJQUFS-BDAKNGLRSA-N 1 0 244.291 -1.022 20 0 BAADRO CNC(=O)NC(=O)C[NH2+][C@H](C(=O)NC)C(C)C ZINC000183669334 388571088 /nfs/dbraw/zinc/57/10/88/388571088.db2.gz DSGDBHARJGKBDI-QMMMGPOBSA-N 1 0 244.295 -1.198 20 0 BAADRO CNC(=O)[C@@H]([NH2+]CC(=O)NC(N)=O)C(C)C ZINC000183677076 536353258 /nfs/dbraw/zinc/35/32/58/536353258.db2.gz KXTRZWGVCMSIOI-ZETCQYMHSA-N 1 0 230.268 -1.459 20 0 BAADRO CNC(=O)[C@H]([NH2+]CC(=O)NC(N)=O)C(C)C ZINC000183677092 134353182 /nfs/dbraw/zinc/35/31/82/134353182.db2.gz KXTRZWGVCMSIOI-SSDOTTSWSA-N 1 0 230.268 -1.459 20 0 BAADRO CC[N@H+](CCO)CCNC(=O)CC(=O)N(C)C ZINC000183967659 388573944 /nfs/dbraw/zinc/57/39/44/388573944.db2.gz RSVDTMJYWJJMMQ-UHFFFAOYSA-N 1 0 245.323 -1.105 20 0 BAADRO CC[N@H+](CCO)CCNC(=O)[C@@H]1COCCO1 ZINC000183981324 388574086 /nfs/dbraw/zinc/57/40/86/388574086.db2.gz GEWSPULDIXBSHJ-JTQLQIEISA-N 1 0 246.307 -1.168 20 0 BAADRO CC[N@H+](CCO)CCNC(=O)[C@H]1COCCO1 ZINC000183981341 388573466 /nfs/dbraw/zinc/57/34/66/388573466.db2.gz GEWSPULDIXBSHJ-SNVBAGLBSA-N 1 0 246.307 -1.168 20 0 BAADRO CCNS(=O)(=O)NCC[N@H+](CC)CCO ZINC000184337282 388576998 /nfs/dbraw/zinc/57/69/98/388576998.db2.gz ULGIRLFSRCPMGW-UHFFFAOYSA-N 1 0 239.341 -1.256 20 0 BAADRO CC[N@H+](CCO)CCNS(=O)(=O)N(C)C ZINC000184341086 388577329 /nfs/dbraw/zinc/57/73/29/388577329.db2.gz KYHBGOILXMNTSM-UHFFFAOYSA-N 1 0 239.341 -1.303 20 0 BAADRO CC[NH+](CC)CC(=O)N[C@@H](CO)C(=O)OC ZINC000185374206 535493275 /nfs/dbraw/zinc/49/32/75/535493275.db2.gz FRBZVVKAVLVGLT-QMMMGPOBSA-N 1 0 232.280 -1.022 20 0 BAADRO CC[NH+](CC)CC(=O)N[C@H](CO)C(=O)OC ZINC000185374226 535492983 /nfs/dbraw/zinc/49/29/83/535492983.db2.gz FRBZVVKAVLVGLT-MRVPVSSYSA-N 1 0 232.280 -1.022 20 0 BAADRO C[C@H](NC(N)=O)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000185931288 134397225 /nfs/dbraw/zinc/39/72/25/134397225.db2.gz GBCSHOJSBXCUJI-JGVFFNPUSA-N 1 0 244.295 -1.510 20 0 BAADRO C[C@H](NC(N)=O)C(=O)NC[C@H]1CN(C)CCO1 ZINC000185931308 134397382 /nfs/dbraw/zinc/39/73/82/134397382.db2.gz GBCSHOJSBXCUJI-YUMQZZPRSA-N 1 0 244.295 -1.510 20 0 BAADRO C[C@]1(C(N)=O)CCCCN1CC(=O)NC(N)=O ZINC000185931943 134396963 /nfs/dbraw/zinc/39/69/63/134396963.db2.gz OMGRPMOYQPXTEF-SNVBAGLBSA-N 1 0 242.279 -1.089 20 0 BAADRO C[C@@]1(C(N)=O)CCCCN1CC(=O)NC(N)=O ZINC000185931959 134397257 /nfs/dbraw/zinc/39/72/57/134397257.db2.gz OMGRPMOYQPXTEF-JTQLQIEISA-N 1 0 242.279 -1.089 20 0 BAADRO CNC(=O)NC(=O)C[NH2+]C(C)(C)CC(N)=O ZINC000186208330 385746659 /nfs/dbraw/zinc/74/66/59/385746659.db2.gz QNFBUNAWIMXCLG-UHFFFAOYSA-N 1 0 230.268 -1.314 20 0 BAADRO CC(C)(CC(N)=O)[NH2+]CCNS(C)(=O)=O ZINC000186216381 526982033 /nfs/dbraw/zinc/98/20/33/526982033.db2.gz PSJNTHNRCQPVRA-UHFFFAOYSA-N 1 0 237.325 -1.221 20 0 BAADRO COCC(=O)NC1CN(C(=O)C[NH+](C)C)C1 ZINC000186312471 174047141 /nfs/dbraw/zinc/04/71/41/174047141.db2.gz UGTAEBVRADOZHB-UHFFFAOYSA-N 1 0 229.280 -1.479 20 0 BAADRO CCOC(=O)CN1C[C@@H](O)C[C@H]1CO ZINC000186509184 387107052 /nfs/dbraw/zinc/10/70/52/387107052.db2.gz OEPHFBOMOJKLSP-YUMQZZPRSA-N 1 0 203.238 -1.023 20 0 BAADRO COC(=O)CC[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186532983 386735070 /nfs/dbraw/zinc/73/50/70/386735070.db2.gz NMPXPXZYVYGQMZ-YUMQZZPRSA-N 1 0 203.238 -1.023 20 0 BAADRO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186548041 385769943 /nfs/dbraw/zinc/76/99/43/385769943.db2.gz ZCUNYMBDYYRDMD-CIUDSAMLSA-N 1 0 216.281 -1.109 20 0 BAADRO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186548063 398055378 /nfs/dbraw/zinc/05/53/78/398055378.db2.gz ZCUNYMBDYYRDMD-VGMNWLOBSA-N 1 0 216.281 -1.109 20 0 BAADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Cn1cnnn1 ZINC000186661486 176185055 /nfs/dbraw/zinc/18/50/55/176185055.db2.gz HSHMOMKYIBAOSQ-SFYZADRCSA-N 1 0 224.268 -1.213 20 0 BAADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Cn1cnnn1 ZINC000186661501 177174217 /nfs/dbraw/zinc/17/42/17/177174217.db2.gz HSHMOMKYIBAOSQ-YUMQZZPRSA-N 1 0 224.268 -1.213 20 0 BAADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Cn1cnnn1 ZINC000186661518 176186229 /nfs/dbraw/zinc/18/62/29/176186229.db2.gz HSHMOMKYIBAOSQ-HTQZYQBOSA-N 1 0 224.268 -1.213 20 0 BAADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Cn1cnnn1 ZINC000186661537 177175496 /nfs/dbraw/zinc/17/54/96/177175496.db2.gz HSHMOMKYIBAOSQ-JGVFFNPUSA-N 1 0 224.268 -1.213 20 0 BAADRO COC(=O)CNC(=O)C[N@H+](C)CC1(CO)CC1 ZINC000186781517 385791146 /nfs/dbraw/zinc/79/11/46/385791146.db2.gz UQFQWRUBTHFSGI-UHFFFAOYSA-N 1 0 244.291 -1.020 20 0 BAADRO C[N@H+](CC(=O)NC(N)=O)CC1(CO)CC1 ZINC000186782384 384008641 /nfs/dbraw/zinc/00/86/41/384008641.db2.gz VUXPRDVEKUJSNQ-UHFFFAOYSA-N 1 0 215.253 -1.114 20 0 BAADRO CNS(=O)(=O)CC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000186878351 384083639 /nfs/dbraw/zinc/08/36/39/384083639.db2.gz GQBWLIDKMBSQSO-SFYZADRCSA-N 1 0 249.336 -1.350 20 0 BAADRO CNS(=O)(=O)CC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000186878368 384891629 /nfs/dbraw/zinc/89/16/29/384891629.db2.gz GQBWLIDKMBSQSO-YUMQZZPRSA-N 1 0 249.336 -1.350 20 0 BAADRO CNS(=O)(=O)CC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000186878381 173402272 /nfs/dbraw/zinc/40/22/72/173402272.db2.gz GQBWLIDKMBSQSO-HTQZYQBOSA-N 1 0 249.336 -1.350 20 0 BAADRO CNS(=O)(=O)CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000186878400 173402204 /nfs/dbraw/zinc/40/22/04/173402204.db2.gz GQBWLIDKMBSQSO-JGVFFNPUSA-N 1 0 249.336 -1.350 20 0 BAADRO COC(=O)[C@@H](C)CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000187636290 384281448 /nfs/dbraw/zinc/28/14/48/384281448.db2.gz FGUCBPZRYCWVKA-JGVFFNPUSA-N 1 0 230.264 -1.100 20 0 BAADRO COC(=O)[C@H](C)CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000187636306 384281110 /nfs/dbraw/zinc/28/11/10/384281110.db2.gz FGUCBPZRYCWVKA-HTQZYQBOSA-N 1 0 230.264 -1.100 20 0 BAADRO CSC[C@H](O)C[NH+](CCO)CCO ZINC000187816066 386602969 /nfs/dbraw/zinc/60/29/69/386602969.db2.gz IQIFFUMKHVMIES-MRVPVSSYSA-N 1 0 209.311 -1.003 20 0 BAADRO CSC[C@@H](O)C[NH+](CCO)CCO ZINC000187816087 386602746 /nfs/dbraw/zinc/60/27/46/386602746.db2.gz IQIFFUMKHVMIES-QMMMGPOBSA-N 1 0 209.311 -1.003 20 0 BAADRO CN(CC[NH+](C)C)C(=O)Cn1cn[nH]c1=O ZINC000187945229 323169427 /nfs/dbraw/zinc/16/94/27/323169427.db2.gz UDFKGAVCKNDIQE-UHFFFAOYSA-N 1 0 227.268 -1.409 20 0 BAADRO COC(=O)CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188371770 385044759 /nfs/dbraw/zinc/04/47/59/385044759.db2.gz KEGWWTUPJOUYID-NTSWFWBYSA-N 1 0 204.201 -1.024 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000188417698 176253793 /nfs/dbraw/zinc/25/37/93/176253793.db2.gz QNLVGVRFDYDTQN-HTQZYQBOSA-N 1 0 249.336 -1.256 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000188417724 384969696 /nfs/dbraw/zinc/96/96/96/384969696.db2.gz QNLVGVRFDYDTQN-SFYZADRCSA-N 1 0 249.336 -1.256 20 0 BAADRO C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)CC[NH2+]1 ZINC000188418096 346810206 /nfs/dbraw/zinc/81/02/06/346810206.db2.gz IAFGWNABARFZLK-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO C[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)CC[NH2+]1 ZINC000188433969 176246854 /nfs/dbraw/zinc/24/68/54/176246854.db2.gz QFXJJALAFGUWRX-MRVPVSSYSA-N 1 0 249.336 -1.302 20 0 BAADRO CNS(=O)(=O)CC(=O)N1CC[NH2+][C@H](C)C1 ZINC000188473642 386679261 /nfs/dbraw/zinc/67/92/61/386679261.db2.gz OUDHXZAQOYVXCO-SSDOTTSWSA-N 1 0 235.309 -1.644 20 0 BAADRO C[C@@H]1CN(C(=O)[C@@H]2COCCN2)CC[NH2+]1 ZINC000188483549 176255605 /nfs/dbraw/zinc/25/56/05/176255605.db2.gz FEARDJVKLBUWJY-BDAKNGLRSA-N 1 0 213.281 -1.205 20 0 BAADRO C[C@@H]1CN(C(=O)[C@H]2COCCN2)CC[NH2+]1 ZINC000188483574 176258620 /nfs/dbraw/zinc/25/86/20/176258620.db2.gz FEARDJVKLBUWJY-RKDXNWHRSA-N 1 0 213.281 -1.205 20 0 BAADRO C[C@@H]1CN(S(C)(=O)=O)CCN1CCO ZINC000188726770 387088972 /nfs/dbraw/zinc/08/89/72/387088972.db2.gz ACNYNFADRQTLCB-MRVPVSSYSA-N 1 0 222.310 -1.056 20 0 BAADRO C[C@H]1CN(S(C)(=O)=O)CCN1CCO ZINC000188726793 387087817 /nfs/dbraw/zinc/08/78/17/387087817.db2.gz ACNYNFADRQTLCB-QMMMGPOBSA-N 1 0 222.310 -1.056 20 0 BAADRO CC[C@@H](C(=O)N[C@@H](CO)C(=O)OC)[NH+](C)C ZINC000188749622 387087216 /nfs/dbraw/zinc/08/72/16/387087216.db2.gz BYKSWCOPXIIUPG-YUMQZZPRSA-N 1 0 232.280 -1.023 20 0 BAADRO CC[C@H](C(=O)N[C@@H](CO)C(=O)OC)[NH+](C)C ZINC000188749650 387088128 /nfs/dbraw/zinc/08/81/28/387088128.db2.gz BYKSWCOPXIIUPG-JGVFFNPUSA-N 1 0 232.280 -1.023 20 0 BAADRO CC[C@@H](C(=O)N[C@H](CO)C(=O)OC)[NH+](C)C ZINC000188749668 387088576 /nfs/dbraw/zinc/08/85/76/387088576.db2.gz BYKSWCOPXIIUPG-SFYZADRCSA-N 1 0 232.280 -1.023 20 0 BAADRO CC[C@H](C(=O)N[C@H](CO)C(=O)OC)[NH+](C)C ZINC000188749687 387088800 /nfs/dbraw/zinc/08/88/00/387088800.db2.gz BYKSWCOPXIIUPG-HTQZYQBOSA-N 1 0 232.280 -1.023 20 0 BAADRO COCC(=O)N(C)CC(=O)N1CC[NH2+][C@H](C)C1 ZINC000189014594 357600742 /nfs/dbraw/zinc/60/07/42/357600742.db2.gz QVBDFTRKSIVIBX-SECBINFHSA-N 1 0 243.307 -1.089 20 0 BAADRO C[C@H]1C(=O)NCCCN1CCCS(N)(=O)=O ZINC000189276316 324193819 /nfs/dbraw/zinc/19/38/19/324193819.db2.gz UNUFGLUAAJIDHI-QMMMGPOBSA-N 1 0 249.336 -1.125 20 0 BAADRO C[C@@H]1C(=O)NCCC[N@H+]1CCC(=O)NC(N)=O ZINC000189290708 385972515 /nfs/dbraw/zinc/97/25/15/385972515.db2.gz APTRDVVXELIZOV-SSDOTTSWSA-N 1 0 242.279 -1.218 20 0 BAADRO C[C@H]1C(=O)NCCC[N@H+]1CCC(=O)NC(N)=O ZINC000189290727 385972793 /nfs/dbraw/zinc/97/27/93/385972793.db2.gz APTRDVVXELIZOV-ZETCQYMHSA-N 1 0 242.279 -1.218 20 0 BAADRO CNC(=O)NC(=O)CN1CCCNC(=O)[C@@H]1C ZINC000189322291 357630813 /nfs/dbraw/zinc/63/08/13/357630813.db2.gz RLWCRALKFIIMOJ-ZETCQYMHSA-N 1 0 242.279 -1.348 20 0 BAADRO C[C@@H]1CC[N@H+](CC(=O)NC(N)=O)[C@@H]1CO ZINC000189733240 386085848 /nfs/dbraw/zinc/08/58/48/386085848.db2.gz JFNYSONADNGWME-RNFRBKRXSA-N 1 0 215.253 -1.116 20 0 BAADRO C[C@H]1CC[N@H+](CC(=O)NC(N)=O)[C@@H]1CO ZINC000189733258 386084313 /nfs/dbraw/zinc/08/43/13/386084313.db2.gz JFNYSONADNGWME-NKWVEPMBSA-N 1 0 215.253 -1.116 20 0 BAADRO COCC[NH2+]CC(=O)NCC(F)(F)CN ZINC000190268954 345974570 /nfs/dbraw/zinc/97/45/70/345974570.db2.gz BVDRKIASLUKJQK-UHFFFAOYSA-N 1 0 225.239 -1.067 20 0 BAADRO COC(=O)CNC(=O)C[N@@H+]1CC[C@@H](C)[C@H]1CO ZINC000190372132 386271757 /nfs/dbraw/zinc/27/17/57/386271757.db2.gz OEBDTPOGUFVFBX-RKDXNWHRSA-N 1 0 244.291 -1.022 20 0 BAADRO COC(=O)CNC(=O)C[N@@H+]1CC[C@H](C)[C@H]1CO ZINC000190372150 386272652 /nfs/dbraw/zinc/27/26/52/386272652.db2.gz OEBDTPOGUFVFBX-DTWKUNHWSA-N 1 0 244.291 -1.022 20 0 BAADRO COC(=O)CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190856644 357727870 /nfs/dbraw/zinc/72/78/70/357727870.db2.gz SHTZHFDFWUBMSA-BDAKNGLRSA-N 1 0 244.291 -1.164 20 0 BAADRO CNC(=O)C[N@H+](C[C@H](C)O)[C@@H](C)CO ZINC000190903033 353421400 /nfs/dbraw/zinc/42/14/00/353421400.db2.gz SXURJGJSGGJRJJ-YUMQZZPRSA-N 1 0 204.270 -1.204 20 0 BAADRO CNC(=O)C[N@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000190903046 353421454 /nfs/dbraw/zinc/42/14/54/353421454.db2.gz SXURJGJSGGJRJJ-JGVFFNPUSA-N 1 0 204.270 -1.204 20 0 BAADRO CN1CCC[N@H+](CCC(=O)NC(N)=O)CC1=O ZINC000191135544 357753032 /nfs/dbraw/zinc/75/30/32/357753032.db2.gz AVWPAYLZOVVCJP-UHFFFAOYSA-N 1 0 242.279 -1.265 20 0 BAADRO CC(=O)NC1CN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC000191503230 353486156 /nfs/dbraw/zinc/48/61/56/353486156.db2.gz GPVCDNXVGMSIIC-JTQLQIEISA-N 1 0 241.291 -1.336 20 0 BAADRO CC(=O)NC1CN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC000191503243 353486140 /nfs/dbraw/zinc/48/61/40/353486140.db2.gz GPVCDNXVGMSIIC-SNVBAGLBSA-N 1 0 241.291 -1.336 20 0 BAADRO CCN(CC(N)=O)CC(=O)NC(=O)NC ZINC000191700964 487986734 /nfs/dbraw/zinc/98/67/34/487986734.db2.gz BNWZEQOAANPFOG-UHFFFAOYSA-N 1 0 216.241 -1.751 20 0 BAADRO CCN(CCC[N@H+](CC)CC(N)=O)CC(N)=O ZINC000191703510 357800665 /nfs/dbraw/zinc/80/06/65/357800665.db2.gz JSLGXEQJGCKTRM-UHFFFAOYSA-N 1 0 244.339 -1.009 20 0 BAADRO CC[N@H+](CCCN1C(=O)CNC1=O)CC(N)=O ZINC000191712481 357789474 /nfs/dbraw/zinc/78/94/74/357789474.db2.gz LTLPSQQZNYCEFW-UHFFFAOYSA-N 1 0 242.279 -1.265 20 0 BAADRO CC[N@H+](CCC(=O)NC(=O)NC)CC(N)=O ZINC000191723674 353507397 /nfs/dbraw/zinc/50/73/97/353507397.db2.gz ONSKOHFOTMDLOS-UHFFFAOYSA-N 1 0 230.268 -1.361 20 0 BAADRO CC[N@@H+](CC(N)=O)C[C@H](O)CN1CCOCC1 ZINC000191727705 357791115 /nfs/dbraw/zinc/79/11/15/357791115.db2.gz FAOFRMRBXBNONL-JTQLQIEISA-N 1 0 245.323 -1.513 20 0 BAADRO CC[N@@H+](CC(N)=O)C[C@@H](O)CN1CCOCC1 ZINC000191727721 357791159 /nfs/dbraw/zinc/79/11/59/357791159.db2.gz FAOFRMRBXBNONL-SNVBAGLBSA-N 1 0 245.323 -1.513 20 0 BAADRO CC[N@H+](CCCC(=O)NC(N)=O)CC(N)=O ZINC000191731917 357791543 /nfs/dbraw/zinc/79/15/43/357791543.db2.gz OILDXOJSKXRKON-UHFFFAOYSA-N 1 0 230.268 -1.231 20 0 BAADRO CNC(=O)CN1C[C@@H](C)O[C@@H](CO)C1 ZINC000191767413 323198498 /nfs/dbraw/zinc/19/84/98/323198498.db2.gz MYNRZGWGLQSCRM-HTQZYQBOSA-N 1 0 202.254 -1.186 20 0 BAADRO CNC(=O)CN1C[C@H](CO)O[C@@H](C)C1 ZINC000191767425 323198546 /nfs/dbraw/zinc/19/85/46/323198546.db2.gz MYNRZGWGLQSCRM-JGVFFNPUSA-N 1 0 202.254 -1.186 20 0 BAADRO CCN(CC(N)=O)C(=O)[C@@H]1CN(C)CCO1 ZINC000191811810 357798110 /nfs/dbraw/zinc/79/81/10/357798110.db2.gz CKUCDUKSTDSJBK-QMMMGPOBSA-N 1 0 229.280 -1.349 20 0 BAADRO CCN(CC(N)=O)C(=O)[C@H]1CN(C)CCO1 ZINC000191811824 357798093 /nfs/dbraw/zinc/79/80/93/357798093.db2.gz CKUCDUKSTDSJBK-MRVPVSSYSA-N 1 0 229.280 -1.349 20 0 BAADRO C[C@@H]1COCCN1CC[NH+](CCO)CCO ZINC000192710001 387526514 /nfs/dbraw/zinc/52/65/14/387526514.db2.gz GTZNLWMCHWTOST-LLVKDONJSA-N 1 0 232.324 -1.006 20 0 BAADRO C[C@H]1COCCN1CC[NH+](CCO)CCO ZINC000192710019 387525335 /nfs/dbraw/zinc/52/53/35/387525335.db2.gz GTZNLWMCHWTOST-NSHDSACASA-N 1 0 232.324 -1.006 20 0 BAADRO COC(=O)[C@@H]1C[C@@H](O)CN1C[C@H](C)O ZINC000192716209 387526030 /nfs/dbraw/zinc/52/60/30/387526030.db2.gz IGPBMUVTYISDPJ-RNJXMRFFSA-N 1 0 203.238 -1.025 20 0 BAADRO COC(=O)[C@@H]1C[C@@H](O)CN1C[C@@H](C)O ZINC000192716223 387526418 /nfs/dbraw/zinc/52/64/18/387526418.db2.gz IGPBMUVTYISDPJ-PRJMDXOYSA-N 1 0 203.238 -1.025 20 0 BAADRO C[C@@H]1CN(CC[NH+](CCO)CCO)CCO1 ZINC000192732823 259392289 /nfs/dbraw/zinc/39/22/89/259392289.db2.gz LIHRZMFWCDRYAY-LLVKDONJSA-N 1 0 232.324 -1.006 20 0 BAADRO C[C@H]1CN(CC[NH+](CCO)CCO)CCO1 ZINC000192732836 388684542 /nfs/dbraw/zinc/68/45/42/388684542.db2.gz LIHRZMFWCDRYAY-NSHDSACASA-N 1 0 232.324 -1.006 20 0 BAADRO C[C@H](O)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000192983125 386807197 /nfs/dbraw/zinc/80/71/97/386807197.db2.gz SBYCDTZWYALJHJ-YUMQZZPRSA-N 1 0 222.310 -1.009 20 0 BAADRO C[C@@H](O)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000192983141 386805923 /nfs/dbraw/zinc/80/59/23/386805923.db2.gz SBYCDTZWYALJHJ-SFYZADRCSA-N 1 0 222.310 -1.009 20 0 BAADRO C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000192990536 386806875 /nfs/dbraw/zinc/80/68/75/386806875.db2.gz AJYCORZYMDGFDJ-BWZBUEFSSA-N 1 0 202.254 -1.058 20 0 BAADRO C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000192990554 386806165 /nfs/dbraw/zinc/80/61/65/386806165.db2.gz AJYCORZYMDGFDJ-PRJMDXOYSA-N 1 0 202.254 -1.058 20 0 BAADRO C[NH2+]CC(=O)N1CCO[C@H](CC(=O)OC)C1 ZINC000193132201 353575917 /nfs/dbraw/zinc/57/59/17/353575917.db2.gz ITWCNSNLISRODW-MRVPVSSYSA-N 1 0 230.264 -1.004 20 0 BAADRO C[NH2+]CC(=O)N1CCO[C@@H](CC(=O)OC)C1 ZINC000193132212 173326661 /nfs/dbraw/zinc/32/66/61/173326661.db2.gz ITWCNSNLISRODW-QMMMGPOBSA-N 1 0 230.264 -1.004 20 0 BAADRO C[NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C(=O)OC)C1 ZINC000193132678 388767474 /nfs/dbraw/zinc/76/74/74/388767474.db2.gz GFKXYULHVHXFBS-HTQZYQBOSA-N 1 0 230.264 -1.005 20 0 BAADRO C[NH2+]CC(=O)N1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000193132695 388767595 /nfs/dbraw/zinc/76/75/95/388767595.db2.gz GFKXYULHVHXFBS-SFYZADRCSA-N 1 0 230.264 -1.005 20 0 BAADRO C[NH2+]CC(=O)NC[C@@H]1CN2CCN1CC2 ZINC000193136065 356714805 /nfs/dbraw/zinc/71/48/05/356714805.db2.gz NDPIFKXCQMLHBB-SECBINFHSA-N 1 0 212.297 -1.678 20 0 BAADRO C[NH2+]CC(=O)NC[C@H]1CN2CCN1CC2 ZINC000193136077 356714727 /nfs/dbraw/zinc/71/47/27/356714727.db2.gz NDPIFKXCQMLHBB-VIFPVBQESA-N 1 0 212.297 -1.678 20 0 BAADRO C[NH2+]CC(=O)N(CCOC)CC(=O)OC ZINC000193138498 356713770 /nfs/dbraw/zinc/71/37/70/356713770.db2.gz XMQQIMFLJXTILB-UHFFFAOYSA-N 1 0 218.253 -1.146 20 0 BAADRO C[NH2+]CC(=O)N1CCN(CCOC)C(=O)C1 ZINC000193141195 353581563 /nfs/dbraw/zinc/58/15/63/353581563.db2.gz XGELORRIDTWVSN-UHFFFAOYSA-N 1 0 229.280 -1.477 20 0 BAADRO C[NH2+]CC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000193142944 353582162 /nfs/dbraw/zinc/58/21/62/353582162.db2.gz JUAREXJMFNDOQN-QMMMGPOBSA-N 1 0 249.336 -1.302 20 0 BAADRO CNC(=O)NC(=O)C[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000193565091 387795230 /nfs/dbraw/zinc/79/52/30/387795230.db2.gz WVYRJYNHWDIZLY-HTRCEHHLSA-N 1 0 242.279 -1.444 20 0 BAADRO CNC(=O)NC(=O)C[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000193565108 387795341 /nfs/dbraw/zinc/79/53/41/387795341.db2.gz WVYRJYNHWDIZLY-POYBYMJQSA-N 1 0 242.279 -1.444 20 0 BAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000193565119 387795054 /nfs/dbraw/zinc/79/50/54/387795054.db2.gz WVYRJYNHWDIZLY-SVRRBLITSA-N 1 0 242.279 -1.444 20 0 BAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000193565132 387795189 /nfs/dbraw/zinc/79/51/89/387795189.db2.gz WVYRJYNHWDIZLY-XPUUQOCRSA-N 1 0 242.279 -1.444 20 0 BAADRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC000193633802 387798098 /nfs/dbraw/zinc/79/80/98/387798098.db2.gz WOAWJGWFLLFPPQ-HTQZYQBOSA-N 1 0 249.336 -1.350 20 0 BAADRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC000193633817 387797398 /nfs/dbraw/zinc/79/73/98/387797398.db2.gz WOAWJGWFLLFPPQ-JGVFFNPUSA-N 1 0 249.336 -1.350 20 0 BAADRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CCNS(C)(=O)=O ZINC000193633827 387797507 /nfs/dbraw/zinc/79/75/07/387797507.db2.gz WOAWJGWFLLFPPQ-SFYZADRCSA-N 1 0 249.336 -1.350 20 0 BAADRO C[C@H]1CCNC(=O)[C@H]1[NH2+]CCNS(C)(=O)=O ZINC000193633844 387797916 /nfs/dbraw/zinc/79/79/16/387797916.db2.gz WOAWJGWFLLFPPQ-YUMQZZPRSA-N 1 0 249.336 -1.350 20 0 BAADRO Cn1nnc(CN2CCO[C@H](C[NH+](C)C)C2)n1 ZINC000194435086 206091291 /nfs/dbraw/zinc/09/12/91/206091291.db2.gz YCBIURLEYBHKMY-SECBINFHSA-N 1 0 240.311 -1.028 20 0 BAADRO Cn1nnc(CN2CCO[C@@H](C[NH+](C)C)C2)n1 ZINC000194435100 206091550 /nfs/dbraw/zinc/09/15/50/206091550.db2.gz YCBIURLEYBHKMY-VIFPVBQESA-N 1 0 240.311 -1.028 20 0 BAADRO CCN(CCO)CC(O)C[N@H+](CC)CCO ZINC000194476227 206091072 /nfs/dbraw/zinc/09/10/72/206091072.db2.gz VOAGJNSRIWFNDT-UHFFFAOYSA-N 1 0 234.340 -1.024 20 0 BAADRO C[C@H]([NH3+])CNC(=O)CN1CSCC1=O ZINC000194870202 388452871 /nfs/dbraw/zinc/45/28/71/388452871.db2.gz KIHNNKVKIMAQLV-LURJTMIESA-N 1 0 217.294 -1.017 20 0 BAADRO C[C@@H]([NH3+])CNC(=O)CN1CSCC1=O ZINC000194870219 388453304 /nfs/dbraw/zinc/45/33/04/388453304.db2.gz KIHNNKVKIMAQLV-ZCFIWIBFSA-N 1 0 217.294 -1.017 20 0 BAADRO C[C@H]([NH3+])CNC(=O)Cn1nc2ccccn2c1=O ZINC000194894302 388454641 /nfs/dbraw/zinc/45/46/41/388454641.db2.gz IAPYQGKJGQDSCH-QMMMGPOBSA-N 1 0 249.274 -1.041 20 0 BAADRO C[C@@H]([NH3+])CNC(=O)Cn1nc2ccccn2c1=O ZINC000194894318 388454708 /nfs/dbraw/zinc/45/47/08/388454708.db2.gz IAPYQGKJGQDSCH-MRVPVSSYSA-N 1 0 249.274 -1.041 20 0 BAADRO COCCN1C[C@H](C(=O)NC[C@H](C)[NH3+])CC1=O ZINC000194929348 388456191 /nfs/dbraw/zinc/45/61/91/388456191.db2.gz GDWTZDHABIGJQH-DTWKUNHWSA-N 1 0 243.307 -1.055 20 0 BAADRO COCCN1C[C@H](C(=O)NC[C@@H](C)[NH3+])CC1=O ZINC000194929363 388456015 /nfs/dbraw/zinc/45/60/15/388456015.db2.gz GDWTZDHABIGJQH-RKDXNWHRSA-N 1 0 243.307 -1.055 20 0 BAADRO COCCN1C[C@@H](C(=O)NC[C@H](C)[NH3+])CC1=O ZINC000194929378 388456020 /nfs/dbraw/zinc/45/60/20/388456020.db2.gz GDWTZDHABIGJQH-IUCAKERBSA-N 1 0 243.307 -1.055 20 0 BAADRO COCCN1C[C@@H](C(=O)NC[C@@H](C)[NH3+])CC1=O ZINC000194929392 388456361 /nfs/dbraw/zinc/45/63/61/388456361.db2.gz GDWTZDHABIGJQH-BDAKNGLRSA-N 1 0 243.307 -1.055 20 0 BAADRO C[C@H]([NH3+])CNC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000194940107 385453402 /nfs/dbraw/zinc/45/34/02/385453402.db2.gz BJBBONZVPYIKRF-YUMQZZPRSA-N 1 0 249.336 -1.126 20 0 BAADRO C[C@@H]([NH3+])CNC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000194940121 388457865 /nfs/dbraw/zinc/45/78/65/388457865.db2.gz BJBBONZVPYIKRF-SFYZADRCSA-N 1 0 249.336 -1.126 20 0 BAADRO C[C@H]([NH3+])CNC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000194940138 388458019 /nfs/dbraw/zinc/45/80/19/388458019.db2.gz BJBBONZVPYIKRF-JGVFFNPUSA-N 1 0 249.336 -1.126 20 0 BAADRO C[C@@H]([NH3+])CNC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000194940149 388457718 /nfs/dbraw/zinc/45/77/18/388457718.db2.gz BJBBONZVPYIKRF-HTQZYQBOSA-N 1 0 249.336 -1.126 20 0 BAADRO COCCN(C)S(=O)(=O)NC[C@H](C)[NH3+] ZINC000195297774 490182771 /nfs/dbraw/zinc/18/27/71/490182771.db2.gz QACGWMOPBSQBQL-ZETCQYMHSA-N 1 0 225.314 -1.254 20 0 BAADRO COCCN(C)S(=O)(=O)NC[C@@H](C)[NH3+] ZINC000195297783 490183052 /nfs/dbraw/zinc/18/30/52/490183052.db2.gz QACGWMOPBSQBQL-SSDOTTSWSA-N 1 0 225.314 -1.254 20 0 BAADRO CNS(=O)(=O)CCC[NH+](CCO)CCO ZINC000197858891 347595690 /nfs/dbraw/zinc/59/56/90/347595690.db2.gz FDJPHUVGUOXPAG-UHFFFAOYSA-N 1 0 240.325 -1.788 20 0 BAADRO CS(=O)(=O)NCCN1CC[C@H]([NH3+])C1 ZINC000204858468 346664604 /nfs/dbraw/zinc/66/46/04/346664604.db2.gz OOJUDFCOGINENY-ZETCQYMHSA-N 1 0 207.299 -1.431 20 0 BAADRO CS(=O)(=O)NCCN1CC[C@@H]([NH3+])C1 ZINC000204858484 585022045 /nfs/dbraw/zinc/02/20/45/585022045.db2.gz OOJUDFCOGINENY-SSDOTTSWSA-N 1 0 207.299 -1.431 20 0 BAADRO C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000210642169 711822288 /nfs/dbraw/zinc/82/22/88/711822288.db2.gz IBNHKUZICJYVRF-RQJHMYQMSA-N 1 0 240.263 -1.595 20 0 BAADRO C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000210642196 711822169 /nfs/dbraw/zinc/82/21/69/711822169.db2.gz IBNHKUZICJYVRF-BQBZGAKWSA-N 1 0 240.263 -1.595 20 0 BAADRO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[NH2+]CC1 ZINC000210693634 711822680 /nfs/dbraw/zinc/82/26/80/711822680.db2.gz VJNVNTZVXVPQPN-LURJTMIESA-N 1 0 226.236 -1.984 20 0 BAADRO O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1CC(=O)NC(=O)N1 ZINC000211395740 641484770 /nfs/dbraw/zinc/48/47/70/641484770.db2.gz KHDMTEDGWPYHFF-RQJHMYQMSA-N 1 0 240.263 -1.547 20 0 BAADRO O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1CC(=O)NC(=O)N1 ZINC000211395811 641483585 /nfs/dbraw/zinc/48/35/85/641483585.db2.gz KHDMTEDGWPYHFF-BQBZGAKWSA-N 1 0 240.263 -1.547 20 0 BAADRO CC[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000211569301 641515460 /nfs/dbraw/zinc/51/54/60/641515460.db2.gz VLTNDYAMXDUEDO-LURJTMIESA-N 1 0 228.252 -1.690 20 0 BAADRO Cn1cnn(CC(=O)N2CCC[NH2+]CC2)c1=O ZINC000211587822 388557222 /nfs/dbraw/zinc/55/72/22/388557222.db2.gz NCFALUXPWHZITD-UHFFFAOYSA-N 1 0 239.279 -1.596 20 0 BAADRO O=C(NCC[NH2+]C1CC1)[C@@H]1CC(=O)NC(=O)N1 ZINC000211590579 641517533 /nfs/dbraw/zinc/51/75/33/641517533.db2.gz MSUJFSZHYOIKRF-ZETCQYMHSA-N 1 0 240.263 -1.547 20 0 BAADRO CN1CC[NH2+]C[C@@H]1CNS(C)(=O)=O ZINC000211601810 342998044 /nfs/dbraw/zinc/99/80/44/342998044.db2.gz NQCHOXJXAKLZKY-SSDOTTSWSA-N 1 0 207.299 -1.561 20 0 BAADRO CN1CC[NH2+]C[C@H]1CNS(C)(=O)=O ZINC000211601891 345737166 /nfs/dbraw/zinc/73/71/66/345737166.db2.gz NQCHOXJXAKLZKY-ZETCQYMHSA-N 1 0 207.299 -1.561 20 0 BAADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2COCCO2)CCO1 ZINC000211614881 635139375 /nfs/dbraw/zinc/13/93/75/635139375.db2.gz JEPKYFAVZCEWKW-GUBZILKMSA-N 1 0 244.291 -1.024 20 0 BAADRO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2COCCO2)CCO1 ZINC000211615041 635140133 /nfs/dbraw/zinc/14/01/33/635140133.db2.gz JEPKYFAVZCEWKW-AEJSXWLSSA-N 1 0 244.291 -1.024 20 0 BAADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC000211631316 490203259 /nfs/dbraw/zinc/20/32/59/490203259.db2.gz IPHXNYZJJWSZGZ-YUMQZZPRSA-N 1 0 240.267 -1.752 20 0 BAADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC000211631393 490203420 /nfs/dbraw/zinc/20/34/20/490203420.db2.gz IPHXNYZJJWSZGZ-SFYZADRCSA-N 1 0 240.267 -1.752 20 0 BAADRO C[C@H]([NH3+])[C@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC000211631479 490202992 /nfs/dbraw/zinc/20/29/92/490202992.db2.gz IPHXNYZJJWSZGZ-JGVFFNPUSA-N 1 0 240.267 -1.752 20 0 BAADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC000211631560 411138082 /nfs/dbraw/zinc/13/80/82/411138082.db2.gz IPHXNYZJJWSZGZ-HTQZYQBOSA-N 1 0 240.267 -1.752 20 0 BAADRO CN(C)S(=O)(=O)NC[C@H]1C[NH2+]CCN1C ZINC000211705400 345738060 /nfs/dbraw/zinc/73/80/60/345738060.db2.gz MDHINIXLJOWVGR-MRVPVSSYSA-N 1 0 236.341 -1.714 20 0 BAADRO CN(C)S(=O)(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000211705488 345737817 /nfs/dbraw/zinc/73/78/17/345737817.db2.gz MDHINIXLJOWVGR-QMMMGPOBSA-N 1 0 236.341 -1.714 20 0 BAADRO COC(=O)N1CC([NH2+]CCC(N)=O)C1 ZINC000212260214 349313465 /nfs/dbraw/zinc/31/34/65/349313465.db2.gz QFQWWEIBMZGUNU-UHFFFAOYSA-N 1 0 201.226 -1.098 20 0 BAADRO C[N@H+](CCO)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000212676414 345740564 /nfs/dbraw/zinc/74/05/64/345740564.db2.gz CEUBFYZVAUNKDQ-MRVPVSSYSA-N 1 0 222.310 -1.056 20 0 BAADRO C[N@H+](CCO)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000212676475 346802314 /nfs/dbraw/zinc/80/23/14/346802314.db2.gz CEUBFYZVAUNKDQ-QMMMGPOBSA-N 1 0 222.310 -1.056 20 0 BAADRO COCC[NH2+]CCNC(=O)CN1CCCC1=O ZINC000212781420 358622502 /nfs/dbraw/zinc/62/25/02/358622502.db2.gz SNNQIIMIPKTGDX-UHFFFAOYSA-N 1 0 243.307 -1.039 20 0 BAADRO COCC[NH2+]CCNC(=O)[C@@H]1COCCO1 ZINC000212798353 358622649 /nfs/dbraw/zinc/62/26/49/358622649.db2.gz SOWIJEHWVVETGH-VIFPVBQESA-N 1 0 232.280 -1.246 20 0 BAADRO COCC[NH2+]CCNC(=O)[C@H]1COCCO1 ZINC000212798415 358622592 /nfs/dbraw/zinc/62/25/92/358622592.db2.gz SOWIJEHWVVETGH-SECBINFHSA-N 1 0 232.280 -1.246 20 0 BAADRO COCC[NH2+]CCNC(=O)Cn1cnnn1 ZINC000212805407 358633415 /nfs/dbraw/zinc/63/34/15/358633415.db2.gz WBLFHGHLZNMMQK-UHFFFAOYSA-N 1 0 228.256 -1.975 20 0 BAADRO C[NH2+]CC(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000213210706 349444445 /nfs/dbraw/zinc/44/44/45/349444445.db2.gz ZMHXNJKJTVYEEL-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO C[NH2+]CC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000213211763 344747632 /nfs/dbraw/zinc/74/76/32/344747632.db2.gz IDSZFUJTIHEHGQ-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO C[NH2+]CC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000213211813 344747819 /nfs/dbraw/zinc/74/78/19/344747819.db2.gz IDSZFUJTIHEHGQ-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO CS(=O)(=O)N1CCC[C@H]([NH2+]CCC(N)=O)C1 ZINC000213213344 345740527 /nfs/dbraw/zinc/74/05/27/345740527.db2.gz RTXRAQQOUYUGLC-QMMMGPOBSA-N 1 0 249.336 -1.125 20 0 BAADRO CS(=O)(=O)N1CCC[C@@H]([NH2+]CCC(N)=O)C1 ZINC000213213402 349444548 /nfs/dbraw/zinc/44/45/48/349444548.db2.gz RTXRAQQOUYUGLC-MRVPVSSYSA-N 1 0 249.336 -1.125 20 0 BAADRO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC[NH2+]1 ZINC000214006676 641906172 /nfs/dbraw/zinc/90/61/72/641906172.db2.gz GRXIVVUJOKYARZ-RQJHMYQMSA-N 1 0 240.263 -1.595 20 0 BAADRO C[C@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC[NH2+]1 ZINC000214006736 643075647 /nfs/dbraw/zinc/07/56/47/643075647.db2.gz GRXIVVUJOKYARZ-BQBZGAKWSA-N 1 0 240.263 -1.595 20 0 BAADRO O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1CC(=O)NC(=O)N1 ZINC000214291017 643077331 /nfs/dbraw/zinc/07/73/31/643077331.db2.gz NEAXFIQTZUYXMM-BQBZGAKWSA-N 1 0 240.263 -1.547 20 0 BAADRO O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CC(=O)NC(=O)N1 ZINC000214291075 643076346 /nfs/dbraw/zinc/07/63/46/643076346.db2.gz NEAXFIQTZUYXMM-RQJHMYQMSA-N 1 0 240.263 -1.547 20 0 BAADRO CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)[C@@H]1CC[NH2+]C1 ZINC000214660857 640788280 /nfs/dbraw/zinc/78/82/80/640788280.db2.gz UWYOPMCBBSNTID-RQJHMYQMSA-N 1 0 240.263 -1.595 20 0 BAADRO CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)[C@H]1CC[NH2+]C1 ZINC000214660907 640789028 /nfs/dbraw/zinc/78/90/28/640789028.db2.gz UWYOPMCBBSNTID-BQBZGAKWSA-N 1 0 240.263 -1.595 20 0 BAADRO CN(CC[NH3+])C(=O)C1CS(=O)(=O)C1 ZINC000214732232 411421042 /nfs/dbraw/zinc/42/10/42/411421042.db2.gz SRKAGBDWQHIKHU-UHFFFAOYSA-N 1 0 206.267 -1.552 20 0 BAADRO O=C(C1CS(=O)(=O)C1)N1CC[NH2+]CC1 ZINC000215608691 411231694 /nfs/dbraw/zinc/23/16/94/411231694.db2.gz UUOYMEZOTCOISX-UHFFFAOYSA-N 1 0 218.278 -1.537 20 0 BAADRO CN(CCC[NH3+])C(=O)C1CS(=O)(=O)C1 ZINC000215802628 411242614 /nfs/dbraw/zinc/24/26/14/411242614.db2.gz NWBOKYADFNBHGI-UHFFFAOYSA-N 1 0 220.294 -1.162 20 0 BAADRO CC[C@H](C(N)=O)N1CCO[C@@H](C[NH3+])C1 ZINC000216188341 346982387 /nfs/dbraw/zinc/98/23/87/346982387.db2.gz CVHRJIJKGQVWDQ-JGVFFNPUSA-N 1 0 201.270 -1.090 20 0 BAADRO CC[C@@H](C(N)=O)N1CCO[C@@H](C[NH3+])C1 ZINC000216188391 346982403 /nfs/dbraw/zinc/98/24/03/346982403.db2.gz CVHRJIJKGQVWDQ-YUMQZZPRSA-N 1 0 201.270 -1.090 20 0 BAADRO COCC[NH2+]CCNC(=O)c1cn[nH]n1 ZINC000216337316 355354462 /nfs/dbraw/zinc/35/44/62/355354462.db2.gz LCMOROMQWKOGGL-UHFFFAOYSA-N 1 0 213.241 -1.230 20 0 BAADRO COCC[NH2+]CCNS(=O)(=O)c1c[nH]cn1 ZINC000216338095 133522565 /nfs/dbraw/zinc/52/25/65/133522565.db2.gz XXCNRIKLEZNOCO-UHFFFAOYSA-N 1 0 248.308 -1.076 20 0 BAADRO CNC(=O)NC(=O)[C@@H](C)N1CCO[C@@H](C[NH3+])C1 ZINC000217733377 134250346 /nfs/dbraw/zinc/25/03/46/134250346.db2.gz ZJDZOOWOXYDTCV-SFYZADRCSA-N 1 0 244.295 -1.510 20 0 BAADRO CNC(=O)NC(=O)[C@H](C)N1CCO[C@@H](C[NH3+])C1 ZINC000217733453 536325801 /nfs/dbraw/zinc/32/58/01/536325801.db2.gz ZJDZOOWOXYDTCV-YUMQZZPRSA-N 1 0 244.295 -1.510 20 0 BAADRO CC(C)[C@@H]([NH3+])C(=O)NCC(=O)N1CCOCC1 ZINC000218666269 350099446 /nfs/dbraw/zinc/09/94/46/350099446.db2.gz MWVKPULHDKUJAJ-SNVBAGLBSA-N 1 0 243.307 -1.055 20 0 BAADRO CC(C)(CNC(=O)COC1(C)C[NH2+]C1)C(N)=O ZINC000219020031 412324817 /nfs/dbraw/zinc/32/48/17/412324817.db2.gz XTGBYYHQCQIYKA-UHFFFAOYSA-N 1 0 243.307 -1.007 20 0 BAADRO CNC(=O)CCN(C)C(=O)COC1(C)C[NH2+]C1 ZINC000219024546 412325913 /nfs/dbraw/zinc/32/59/13/412325913.db2.gz UMOYNOIBAMZJGF-UHFFFAOYSA-N 1 0 243.307 -1.041 20 0 BAADRO CN1CC[C@@H](NC(=O)COC2(C)C[NH2+]C2)C1=O ZINC000219027172 412325161 /nfs/dbraw/zinc/32/51/61/412325161.db2.gz RLSCVQPBPIAZAO-MRVPVSSYSA-N 1 0 241.291 -1.288 20 0 BAADRO CN1CC[C@H](NC(=O)COC2(C)C[NH2+]C2)C1=O ZINC000219027249 412325850 /nfs/dbraw/zinc/32/58/50/412325850.db2.gz RLSCVQPBPIAZAO-QMMMGPOBSA-N 1 0 241.291 -1.288 20 0 BAADRO CO[C@@H](C[NH3+])CC(=O)N[C@@H](C(N)=O)C(C)C ZINC000219224192 134276947 /nfs/dbraw/zinc/27/69/47/134276947.db2.gz KTZXEGDQDCJALW-VXNVDRBHSA-N 1 0 231.296 -1.024 20 0 BAADRO CO[C@H](C[NH3+])CC(=O)N[C@@H](C(N)=O)C(C)C ZINC000219224266 133523371 /nfs/dbraw/zinc/52/33/71/133523371.db2.gz KTZXEGDQDCJALW-IONNQARKSA-N 1 0 231.296 -1.024 20 0 BAADRO CO[C@@H](C[NH3+])CC(=O)N[C@H](C(N)=O)C(C)C ZINC000219224347 134277266 /nfs/dbraw/zinc/27/72/66/134277266.db2.gz KTZXEGDQDCJALW-APPZFPTMSA-N 1 0 231.296 -1.024 20 0 BAADRO CO[C@H](C[NH3+])CC(=O)N[C@H](C(N)=O)C(C)C ZINC000219224407 536569152 /nfs/dbraw/zinc/56/91/52/536569152.db2.gz KTZXEGDQDCJALW-CBAPKCEASA-N 1 0 231.296 -1.024 20 0 BAADRO CCN(C)C(=O)CNC(=O)C[C@@H](C[NH3+])OC ZINC000219825190 358013757 /nfs/dbraw/zinc/01/37/57/358013757.db2.gz VBNHSMYQYFLPAJ-QMMMGPOBSA-N 1 0 231.296 -1.055 20 0 BAADRO CCN(C)C(=O)CNC(=O)C[C@H](C[NH3+])OC ZINC000219825247 358014041 /nfs/dbraw/zinc/01/40/41/358014041.db2.gz VBNHSMYQYFLPAJ-MRVPVSSYSA-N 1 0 231.296 -1.055 20 0 BAADRO CCN(C)C(=O)CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000219848472 358014460 /nfs/dbraw/zinc/01/44/60/358014460.db2.gz FANQACUINQVFAJ-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO CCN(C)C(=O)CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000219848516 358014581 /nfs/dbraw/zinc/01/45/81/358014581.db2.gz FANQACUINQVFAJ-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO CCN(C)C(=O)CNC(=O)CN1CC[NH2+]CC1 ZINC000219858586 411946830 /nfs/dbraw/zinc/94/68/30/411946830.db2.gz ZNJHMYXEAYVYKN-UHFFFAOYSA-N 1 0 242.323 -1.514 20 0 BAADRO CCN(C)C(=O)CNC(=O)COC1(C)C[NH2+]C1 ZINC000219860125 411946626 /nfs/dbraw/zinc/94/66/26/411946626.db2.gz SVNHOWMZTTWPDJ-UHFFFAOYSA-N 1 0 243.307 -1.041 20 0 BAADRO CCN(C)C(=O)CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000219861892 410581223 /nfs/dbraw/zinc/58/12/23/410581223.db2.gz ZJRHSMKYVHPOMS-QMMMGPOBSA-N 1 0 229.280 -1.431 20 0 BAADRO CCN(C)C(=O)CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000219861942 388599010 /nfs/dbraw/zinc/59/90/10/388599010.db2.gz ZJRHSMKYVHPOMS-MRVPVSSYSA-N 1 0 229.280 -1.431 20 0 BAADRO CCN(C)C(=O)CNC(=O)C[NH2+]CCOC ZINC000219872873 256863116 /nfs/dbraw/zinc/86/31/16/256863116.db2.gz PSMPPLBUIYNCCR-UHFFFAOYSA-N 1 0 231.296 -1.183 20 0 BAADRO CCN(C)C(=O)CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000219892698 358014963 /nfs/dbraw/zinc/01/49/63/358014963.db2.gz HWVPBMVBBOHRSZ-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO CCN(C)C(=O)CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000219892737 358014909 /nfs/dbraw/zinc/01/49/09/358014909.db2.gz HWVPBMVBBOHRSZ-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO CCN(C)C(=O)CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000219897886 358014848 /nfs/dbraw/zinc/01/48/48/358014848.db2.gz CVERJQCMTXDBAK-DTWKUNHWSA-N 1 0 243.307 -1.042 20 0 BAADRO COCCNC(=O)[C@H]1C[NH2+]CCN1C ZINC000219928372 634094136 /nfs/dbraw/zinc/09/41/36/634094136.db2.gz JUBGEEJTMLRNFR-MRVPVSSYSA-N 1 0 201.270 -1.347 20 0 BAADRO COCCNC(=O)[C@@H]1C[NH2+]CCN1C ZINC000219928408 635291356 /nfs/dbraw/zinc/29/13/56/635291356.db2.gz JUBGEEJTMLRNFR-QMMMGPOBSA-N 1 0 201.270 -1.347 20 0 BAADRO CS(=O)(=O)NCCCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000220640164 134311664 /nfs/dbraw/zinc/31/16/64/134311664.db2.gz OYAMKQHVVZQNEQ-QMMMGPOBSA-N 1 0 249.336 -1.206 20 0 BAADRO CS(=O)(=O)NCCCNC(=O)[C@H]1CCC[NH2+]1 ZINC000220640234 134311784 /nfs/dbraw/zinc/31/17/84/134311784.db2.gz OYAMKQHVVZQNEQ-MRVPVSSYSA-N 1 0 249.336 -1.206 20 0 BAADRO CNS(=O)(=O)CC[NH2+][C@@H]1CCOC1 ZINC000220999323 134315398 /nfs/dbraw/zinc/31/53/98/134315398.db2.gz WPPHSQHGNGAWAH-SSDOTTSWSA-N 1 0 208.283 -1.086 20 0 BAADRO CNS(=O)(=O)CC[NH2+][C@H]1CCOC1 ZINC000220999381 134314878 /nfs/dbraw/zinc/31/48/78/134314878.db2.gz WPPHSQHGNGAWAH-ZETCQYMHSA-N 1 0 208.283 -1.086 20 0 BAADRO COC(=O)[C@](C)(O)CN1C[C@@H](CO)OC[C@@H]1C ZINC000221145975 134317318 /nfs/dbraw/zinc/31/73/18/134317318.db2.gz CEZYMCREFDZMRH-ATZCPNFKSA-N 1 0 247.291 -1.008 20 0 BAADRO CO[C@@H]1CCCN(C(=O)CNC(=O)C[NH3+])C1 ZINC000221294928 592405825 /nfs/dbraw/zinc/40/58/25/592405825.db2.gz NTRZMAPVAZZOOC-MRVPVSSYSA-N 1 0 229.280 -1.301 20 0 BAADRO CO[C@H]1CCCN(C(=O)CNC(=O)C[NH3+])C1 ZINC000221294980 592404668 /nfs/dbraw/zinc/40/46/68/592404668.db2.gz NTRZMAPVAZZOOC-QMMMGPOBSA-N 1 0 229.280 -1.301 20 0 BAADRO [NH3+]CC(=O)NCC(=O)NCCOCC1CC1 ZINC000221297510 181351307 /nfs/dbraw/zinc/35/13/07/181351307.db2.gz MALYPMZNLXCRTJ-UHFFFAOYSA-N 1 0 229.280 -1.396 20 0 BAADRO CC(C)[C@@H](CCO)NC(=O)CNC(=O)C[NH3+] ZINC000221301302 535174976 /nfs/dbraw/zinc/17/49/76/535174976.db2.gz SIVPWHQOXRXOIS-MRVPVSSYSA-N 1 0 231.296 -1.416 20 0 BAADRO CC(C)[C@H](CCO)NC(=O)CNC(=O)C[NH3+] ZINC000221301358 134320230 /nfs/dbraw/zinc/32/02/30/134320230.db2.gz SIVPWHQOXRXOIS-QMMMGPOBSA-N 1 0 231.296 -1.416 20 0 BAADRO CCC(CC)[C@@H](O)CNC(=O)CNC(=O)C[NH3+] ZINC000221303072 384208119 /nfs/dbraw/zinc/20/81/19/384208119.db2.gz ADRPGAYKJDILJS-VIFPVBQESA-N 1 0 245.323 -1.025 20 0 BAADRO CCC(CC)[C@H](O)CNC(=O)CNC(=O)C[NH3+] ZINC000221303119 384207766 /nfs/dbraw/zinc/20/77/66/384207766.db2.gz ADRPGAYKJDILJS-SECBINFHSA-N 1 0 245.323 -1.025 20 0 BAADRO CC(C)(C)C[C@@H](O)CNC(=O)CNC(=O)C[NH3+] ZINC000221308019 384207956 /nfs/dbraw/zinc/20/79/56/384207956.db2.gz VPFRNZSWPPYGDJ-MRVPVSSYSA-N 1 0 245.323 -1.025 20 0 BAADRO CC(C)(C)C[C@H](O)CNC(=O)CNC(=O)C[NH3+] ZINC000221308091 384207567 /nfs/dbraw/zinc/20/75/67/384207567.db2.gz VPFRNZSWPPYGDJ-QMMMGPOBSA-N 1 0 245.323 -1.025 20 0 BAADRO CC(C)C[C@@H](O)CNC(=O)CNC(=O)C[NH3+] ZINC000221310495 592405371 /nfs/dbraw/zinc/40/53/71/592405371.db2.gz SBUSFTSVZRZLOZ-MRVPVSSYSA-N 1 0 231.296 -1.416 20 0 BAADRO CC(C)C[C@H](O)CNC(=O)CNC(=O)C[NH3+] ZINC000221310549 592404861 /nfs/dbraw/zinc/40/48/61/592404861.db2.gz SBUSFTSVZRZLOZ-QMMMGPOBSA-N 1 0 231.296 -1.416 20 0 BAADRO CO[C@@H]1C[C@@H](NC(=O)CNC(=O)C[NH3+])C1(C)C ZINC000221314458 398031391 /nfs/dbraw/zinc/03/13/91/398031391.db2.gz SJQGBGNWWVSLRC-HTQZYQBOSA-N 1 0 243.307 -1.009 20 0 BAADRO CO[C@H]1C[C@@H](NC(=O)CNC(=O)C[NH3+])C1(C)C ZINC000221314504 398031300 /nfs/dbraw/zinc/03/13/00/398031300.db2.gz SJQGBGNWWVSLRC-SFYZADRCSA-N 1 0 243.307 -1.009 20 0 BAADRO CO[C@@H]1C[C@H](NC(=O)CNC(=O)C[NH3+])C1(C)C ZINC000221314545 398031367 /nfs/dbraw/zinc/03/13/67/398031367.db2.gz SJQGBGNWWVSLRC-JGVFFNPUSA-N 1 0 243.307 -1.009 20 0 BAADRO CO[C@H]1C[C@H](NC(=O)CNC(=O)C[NH3+])C1(C)C ZINC000221314588 398031257 /nfs/dbraw/zinc/03/12/57/398031257.db2.gz SJQGBGNWWVSLRC-YUMQZZPRSA-N 1 0 243.307 -1.009 20 0 BAADRO C[C@@H]1CN(C)CCN1C(=O)CNC(=O)C[NH3+] ZINC000221320797 176266609 /nfs/dbraw/zinc/26/66/09/176266609.db2.gz UCUGQAGDKCSNJV-MRVPVSSYSA-N 1 0 228.296 -1.776 20 0 BAADRO C[C@H]1CN(C)CCN1C(=O)CNC(=O)C[NH3+] ZINC000221320853 177233231 /nfs/dbraw/zinc/23/32/31/177233231.db2.gz UCUGQAGDKCSNJV-QMMMGPOBSA-N 1 0 228.296 -1.776 20 0 BAADRO C[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC000221427893 323081980 /nfs/dbraw/zinc/08/19/80/323081980.db2.gz VKIGBHPEGFOPOT-RQJHMYQMSA-N 1 0 215.253 -1.116 20 0 BAADRO C[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC000221427934 323081939 /nfs/dbraw/zinc/08/19/39/323081939.db2.gz VKIGBHPEGFOPOT-BQBZGAKWSA-N 1 0 215.253 -1.116 20 0 BAADRO CCS(=O)(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000221575994 488051393 /nfs/dbraw/zinc/05/13/93/488051393.db2.gz ZQTAABKBSLZOBO-QMMMGPOBSA-N 1 0 221.326 -1.171 20 0 BAADRO CCS(=O)(=O)NC[C@H]1C[NH2+]CCN1C ZINC000221576055 488051852 /nfs/dbraw/zinc/05/18/52/488051852.db2.gz ZQTAABKBSLZOBO-MRVPVSSYSA-N 1 0 221.326 -1.171 20 0 BAADRO CC[C@@H]([NH3+])C(=O)NCCCNS(C)(=O)=O ZINC000224024450 134344453 /nfs/dbraw/zinc/34/44/53/134344453.db2.gz MVOQGVXGRUDEAI-SSDOTTSWSA-N 1 0 237.325 -1.221 20 0 BAADRO CC[C@H]([NH3+])C(=O)NCCCNS(C)(=O)=O ZINC000224024509 134344585 /nfs/dbraw/zinc/34/45/85/134344585.db2.gz MVOQGVXGRUDEAI-ZETCQYMHSA-N 1 0 237.325 -1.221 20 0 BAADRO CC(C)([NH3+])C(=O)NCCCNS(C)(=O)=O ZINC000224025920 535196496 /nfs/dbraw/zinc/19/64/96/535196496.db2.gz MJNGZCBETQAZQF-UHFFFAOYSA-N 1 0 237.325 -1.221 20 0 BAADRO CO[C@@H](C)CNS(=O)(=O)N1CC[NH2+]CC1 ZINC000224315613 640612004 /nfs/dbraw/zinc/61/20/04/640612004.db2.gz WSZNFZZPZNVWRR-QMMMGPOBSA-N 1 0 237.325 -1.239 20 0 BAADRO CO[C@H](C)CNS(=O)(=O)N1CC[NH2+]CC1 ZINC000224315652 640612374 /nfs/dbraw/zinc/61/23/74/640612374.db2.gz WSZNFZZPZNVWRR-MRVPVSSYSA-N 1 0 237.325 -1.239 20 0 BAADRO CC(CO)(CO)Nc1nc(N)[nH+]c(N)n1 ZINC000224639810 363072791 /nfs/dbraw/zinc/07/27/91/363072791.db2.gz ZCXCRUHFSCTSKO-UHFFFAOYSA-N 1 0 214.229 -1.809 20 0 BAADRO CCNS(=O)(=O)CCNC(=O)[C@H]([NH3+])CC ZINC000225285496 640680696 /nfs/dbraw/zinc/68/06/96/640680696.db2.gz SCHOUVSHVFITID-SSDOTTSWSA-N 1 0 237.325 -1.221 20 0 BAADRO CCNS(=O)(=O)CCNC(=O)[C@H](C)[NH3+] ZINC000225425603 640691884 /nfs/dbraw/zinc/69/18/84/640691884.db2.gz WGFZPKMQSXSNMR-LURJTMIESA-N 1 0 223.298 -1.611 20 0 BAADRO CCNS(=O)(=O)CCNC(=O)C(C)(C)[NH3+] ZINC000225425655 640692115 /nfs/dbraw/zinc/69/21/15/640692115.db2.gz RUMZQMVNTIFTQR-UHFFFAOYSA-N 1 0 237.325 -1.221 20 0 BAADRO CCNS(=O)(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000225425987 640692958 /nfs/dbraw/zinc/69/29/58/640692958.db2.gz VFQUNCFCVADRQG-QMMMGPOBSA-N 1 0 249.336 -1.206 20 0 BAADRO CCNS(=O)(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000225426031 640692767 /nfs/dbraw/zinc/69/27/67/640692767.db2.gz VFQUNCFCVADRQG-MRVPVSSYSA-N 1 0 249.336 -1.206 20 0 BAADRO CCNS(=O)(=O)CCNC(=O)[C@@H](C)[NH3+] ZINC000225426069 640693286 /nfs/dbraw/zinc/69/32/86/640693286.db2.gz WGFZPKMQSXSNMR-ZCFIWIBFSA-N 1 0 223.298 -1.611 20 0 BAADRO CCNS(=O)(=O)CCNC(=O)[C@@H]([NH3+])CC ZINC000225427085 640691338 /nfs/dbraw/zinc/69/13/38/640691338.db2.gz SCHOUVSHVFITID-ZETCQYMHSA-N 1 0 237.325 -1.221 20 0 BAADRO CCNS(=O)(=O)CCNC(=O)CCC[NH3+] ZINC000225427888 641709805 /nfs/dbraw/zinc/70/98/05/641709805.db2.gz YEEJOIAOYHMGTD-UHFFFAOYSA-N 1 0 237.325 -1.219 20 0 BAADRO C[C@@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC000226212543 388347046 /nfs/dbraw/zinc/34/70/46/388347046.db2.gz AKTQWFCJLWTARC-MRVPVSSYSA-N 1 0 201.226 -1.362 20 0 BAADRO C[C@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC000226212557 388347484 /nfs/dbraw/zinc/34/74/84/388347484.db2.gz AKTQWFCJLWTARC-QMMMGPOBSA-N 1 0 201.226 -1.362 20 0 BAADRO COCCOCC(=O)NCCN1CC[NH2+]CC1 ZINC000226215336 174346517 /nfs/dbraw/zinc/34/65/17/174346517.db2.gz DDEYTOMPFOVHFQ-UHFFFAOYSA-N 1 0 245.323 -1.329 20 0 BAADRO CCCOCC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000226227674 358335682 /nfs/dbraw/zinc/33/56/82/358335682.db2.gz ZWLASPBYYRRDSC-UHFFFAOYSA-N 1 0 243.307 -1.039 20 0 BAADRO CN1CCN(C(=O)[C@H]2CCC(=O)N2)[C@@H](C[NH3+])C1 ZINC000226293005 358337297 /nfs/dbraw/zinc/33/72/97/358337297.db2.gz AKJVVFGNUGURKR-DTWKUNHWSA-N 1 0 240.307 -1.634 20 0 BAADRO CN1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H](C[NH3+])C1 ZINC000226293012 358337716 /nfs/dbraw/zinc/33/77/16/358337716.db2.gz AKJVVFGNUGURKR-RKDXNWHRSA-N 1 0 240.307 -1.634 20 0 BAADRO COCCOCC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000226293389 358337178 /nfs/dbraw/zinc/33/71/78/358337178.db2.gz VIMQUXOCHWPCOQ-JTQLQIEISA-N 1 0 245.323 -1.249 20 0 BAADRO COCCOCC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000226293397 358337041 /nfs/dbraw/zinc/33/70/41/358337041.db2.gz VIMQUXOCHWPCOQ-SNVBAGLBSA-N 1 0 245.323 -1.249 20 0 BAADRO CC[NH2+]CC(=O)NCCCNS(C)(=O)=O ZINC000226314853 640747783 /nfs/dbraw/zinc/74/77/83/640747783.db2.gz QUDAZOMJFPZXOX-UHFFFAOYSA-N 1 0 237.325 -1.349 20 0 BAADRO CS(=O)(=O)NCCCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000226315152 134360312 /nfs/dbraw/zinc/36/03/12/134360312.db2.gz PGFUQMQKYDCGHC-MRVPVSSYSA-N 1 0 249.336 -1.349 20 0 BAADRO CS(=O)(=O)NCCCNC(=O)[C@H]1CC[NH2+]C1 ZINC000226315155 134360404 /nfs/dbraw/zinc/36/04/04/134360404.db2.gz PGFUQMQKYDCGHC-QMMMGPOBSA-N 1 0 249.336 -1.349 20 0 BAADRO COCC[NH2+]CC(=O)NCC(C)(C)C(N)=O ZINC000226319468 134360242 /nfs/dbraw/zinc/36/02/42/134360242.db2.gz FYJLKURPLJFKOK-UHFFFAOYSA-N 1 0 231.296 -1.150 20 0 BAADRO COC(=O)[C@@H]1COCCN1C(=O)C[NH+](C)C ZINC000226321653 134360277 /nfs/dbraw/zinc/36/02/77/134360277.db2.gz MXSLIMWIGZXHOF-QMMMGPOBSA-N 1 0 230.264 -1.052 20 0 BAADRO COC(=O)[C@H]1COCCN1C(=O)C[NH+](C)C ZINC000226321661 134360307 /nfs/dbraw/zinc/36/03/07/134360307.db2.gz MXSLIMWIGZXHOF-MRVPVSSYSA-N 1 0 230.264 -1.052 20 0 BAADRO CNC(=[NH2+])NCCCNS(C)(=O)=O ZINC000226328758 640747698 /nfs/dbraw/zinc/74/76/98/640747698.db2.gz MFGYAILHQAJHLK-UHFFFAOYSA-N 1 0 208.287 -1.331 20 0 BAADRO CNC(=O)CCN(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000226333691 173245803 /nfs/dbraw/zinc/24/58/03/173245803.db2.gz SLANRMUVASNXMQ-QMMMGPOBSA-N 1 0 229.280 -1.431 20 0 BAADRO CNC(=O)CCN(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000226333697 173246432 /nfs/dbraw/zinc/24/64/32/173246432.db2.gz SLANRMUVASNXMQ-MRVPVSSYSA-N 1 0 229.280 -1.431 20 0 BAADRO CNC(=O)CCN(C)C(=O)C[NH2+]CCOC ZINC000226333710 134360631 /nfs/dbraw/zinc/36/06/31/134360631.db2.gz DWPCLLADBUPBCD-UHFFFAOYSA-N 1 0 231.296 -1.183 20 0 BAADRO CC(C)[C@@H](NC(=O)C[C@@H]1C[NH2+]CCO1)C(N)=O ZINC000226337399 640750661 /nfs/dbraw/zinc/75/06/61/640750661.db2.gz ANOALNFYYLFQON-PSASIEDQSA-N 1 0 243.307 -1.009 20 0 BAADRO CC(C)[C@@H](NC(=O)C[C@H]1C[NH2+]CCO1)C(N)=O ZINC000226337410 640749856 /nfs/dbraw/zinc/74/98/56/640749856.db2.gz ANOALNFYYLFQON-WCBMZHEXSA-N 1 0 243.307 -1.009 20 0 BAADRO CC(C)[C@@H](NC(=O)[C@@H]1C[NH2+]CCO1)C(N)=O ZINC000226337504 384983385 /nfs/dbraw/zinc/98/33/85/384983385.db2.gz FRNKJUAPXYCJIL-JGVFFNPUSA-N 1 0 229.280 -1.399 20 0 BAADRO CC(C)[C@H](NC(=O)[C@@H]1C[NH2+]CCO1)C(N)=O ZINC000226337512 384983751 /nfs/dbraw/zinc/98/37/51/384983751.db2.gz FRNKJUAPXYCJIL-YUMQZZPRSA-N 1 0 229.280 -1.399 20 0 BAADRO CC(C)[C@@H](NC(=O)[C@H]1C[NH2+]CCO1)C(N)=O ZINC000226337520 384981775 /nfs/dbraw/zinc/98/17/75/384981775.db2.gz FRNKJUAPXYCJIL-HTQZYQBOSA-N 1 0 229.280 -1.399 20 0 BAADRO CC(C)[C@H](NC(=O)[C@H]1C[NH2+]CCO1)C(N)=O ZINC000226337528 384982653 /nfs/dbraw/zinc/98/26/53/384982653.db2.gz FRNKJUAPXYCJIL-SFYZADRCSA-N 1 0 229.280 -1.399 20 0 BAADRO COCC[NH2+]CC(=O)N[C@@H](C(N)=O)C(C)C ZINC000226337542 134360615 /nfs/dbraw/zinc/36/06/15/134360615.db2.gz AVMUGZWYVAPNPF-SECBINFHSA-N 1 0 231.296 -1.152 20 0 BAADRO COCC[NH2+]CC(=O)N[C@H](C(N)=O)C(C)C ZINC000226337547 134360947 /nfs/dbraw/zinc/36/09/47/134360947.db2.gz AVMUGZWYVAPNPF-VIFPVBQESA-N 1 0 231.296 -1.152 20 0 BAADRO CCNS(=O)(=O)CCNC(=O)C[NH2+]C ZINC000226338089 640749230 /nfs/dbraw/zinc/74/92/30/640749230.db2.gz SPHUUTAOSHNTOF-UHFFFAOYSA-N 1 0 223.298 -1.739 20 0 BAADRO CCNS(=O)(=O)CCNC(=O)C[NH2+]CC ZINC000226338105 640750588 /nfs/dbraw/zinc/75/05/88/640750588.db2.gz VVONDAZIEJQNKN-UHFFFAOYSA-N 1 0 237.325 -1.349 20 0 BAADRO CCC[C@H](O)CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000226348036 535713102 /nfs/dbraw/zinc/71/31/02/535713102.db2.gz GFXUJGHMYQHDHG-YIZRAAEISA-N 1 0 216.281 -1.014 20 0 BAADRO CCC[C@@H](O)CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000226348039 388715848 /nfs/dbraw/zinc/71/58/48/388715848.db2.gz GFXUJGHMYQHDHG-IWSPIJDZSA-N 1 0 216.281 -1.014 20 0 BAADRO CCC[C@H](O)CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000226348045 535714317 /nfs/dbraw/zinc/71/43/17/535714317.db2.gz GFXUJGHMYQHDHG-DJLDLDEBSA-N 1 0 216.281 -1.014 20 0 BAADRO CNC(=O)[C@@H](C)CN(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000226381914 173293956 /nfs/dbraw/zinc/29/39/56/173293956.db2.gz VNYKIOOSTWSYPE-IUCAKERBSA-N 1 0 243.307 -1.185 20 0 BAADRO CNC(=O)[C@H](C)CN(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000226381921 173300586 /nfs/dbraw/zinc/30/05/86/173300586.db2.gz VNYKIOOSTWSYPE-BDAKNGLRSA-N 1 0 243.307 -1.185 20 0 BAADRO CNC(=O)[C@@H](C)CN(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000226381930 173293580 /nfs/dbraw/zinc/29/35/80/173293580.db2.gz VNYKIOOSTWSYPE-DTWKUNHWSA-N 1 0 243.307 -1.185 20 0 BAADRO CNC(=O)[C@H](C)CN(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000226381934 173300536 /nfs/dbraw/zinc/30/05/36/173300536.db2.gz VNYKIOOSTWSYPE-RKDXNWHRSA-N 1 0 243.307 -1.185 20 0 BAADRO C[C@@H]1CN(C)CCN1C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000226402341 176267742 /nfs/dbraw/zinc/26/77/42/176267742.db2.gz NNPQCFJTQMPPGU-BBBLOLIVSA-N 1 0 227.308 -1.128 20 0 BAADRO C[NH2+][C@@H]1CCN([C@@H](C)C(=O)NC(N)=O)C1 ZINC000226413691 388718071 /nfs/dbraw/zinc/71/80/71/388718071.db2.gz LUKFWUREFPXBIB-NKWVEPMBSA-N 1 0 214.269 -1.137 20 0 BAADRO COC[C@@H](O)CN1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000226575681 388723152 /nfs/dbraw/zinc/72/31/52/388723152.db2.gz RKQRBBWPWHEQRZ-XHNCKOQMSA-N 1 0 233.264 -1.398 20 0 BAADRO COC[C@H](O)CN1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000226575689 388722452 /nfs/dbraw/zinc/72/24/52/388722452.db2.gz RKQRBBWPWHEQRZ-DJLDLDEBSA-N 1 0 233.264 -1.398 20 0 BAADRO CN1CCN(C(=O)[C@H]2COCCO2)[C@@H](C[NH3+])C1 ZINC000226612861 358342004 /nfs/dbraw/zinc/34/20/04/358342004.db2.gz VUKHWINDLWUHKX-VHSXEESVSA-N 1 0 243.307 -1.497 20 0 BAADRO CN(C)S(=O)(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000226618572 358342041 /nfs/dbraw/zinc/34/20/41/358342041.db2.gz KMQLEXLDXOSPQX-QMMMGPOBSA-N 1 0 236.341 -1.633 20 0 BAADRO CN1CCN(S(C)(=O)=O)[C@@H](C[NH3+])C1 ZINC000226620824 371707932 /nfs/dbraw/zinc/70/79/32/371707932.db2.gz OXUDVXPZKOCFDW-ZETCQYMHSA-N 1 0 207.299 -1.479 20 0 BAADRO CNC(=O)CC[N@H+](C)C[C@@](C)(O)C(=O)OC ZINC000226672840 371721134 /nfs/dbraw/zinc/72/11/34/371721134.db2.gz OITVJIXQOIVTIL-SNVBAGLBSA-N 1 0 232.280 -1.022 20 0 BAADRO CNC(=O)CC[N@H+](C)C[C@](C)(O)C(=O)OC ZINC000226672845 371721900 /nfs/dbraw/zinc/72/19/00/371721900.db2.gz OITVJIXQOIVTIL-JTQLQIEISA-N 1 0 232.280 -1.022 20 0 BAADRO COCC[NH2+]CC(=O)NC(C)(C)CC(N)=O ZINC000227065238 358348327 /nfs/dbraw/zinc/34/83/27/358348327.db2.gz VFRJSASLAQMWGF-UHFFFAOYSA-N 1 0 231.296 -1.007 20 0 BAADRO CN1CC[C@@H](N2CCO[C@@H](C[NH3+])C2)C1=O ZINC000227066527 487493990 /nfs/dbraw/zinc/49/39/90/487493990.db2.gz MAGZHWHBMBGBQC-DTWKUNHWSA-N 1 0 213.281 -1.123 20 0 BAADRO CN1CC[C@H](N2CCO[C@@H](C[NH3+])C2)C1=O ZINC000227066534 487493153 /nfs/dbraw/zinc/49/31/53/487493153.db2.gz MAGZHWHBMBGBQC-IUCAKERBSA-N 1 0 213.281 -1.123 20 0 BAADRO COC(=O)[C@@](C)(O)C[N@@H+]1CC[C@@H](O)C1 ZINC000227070204 388357635 /nfs/dbraw/zinc/35/76/35/388357635.db2.gz HJIQXJKVNSRZFQ-APPZFPTMSA-N 1 0 203.238 -1.023 20 0 BAADRO COC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H](O)C1 ZINC000227070211 388357809 /nfs/dbraw/zinc/35/78/09/388357809.db2.gz HJIQXJKVNSRZFQ-VXNVDRBHSA-N 1 0 203.238 -1.023 20 0 BAADRO COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)CO)C1 ZINC000227118029 641728219 /nfs/dbraw/zinc/72/82/19/641728219.db2.gz WBYPLKJCAUAWOI-HTQZYQBOSA-N 1 0 203.238 -1.166 20 0 BAADRO COC(=O)[C@H]1CC[N@H+](C[C@@H](O)CO)C1 ZINC000227118034 640815451 /nfs/dbraw/zinc/81/54/51/640815451.db2.gz WBYPLKJCAUAWOI-JGVFFNPUSA-N 1 0 203.238 -1.166 20 0 BAADRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@@H](O)CO ZINC000227148333 640818117 /nfs/dbraw/zinc/81/81/17/640818117.db2.gz GWDLSYROXZMDOQ-IWSPIJDZSA-N 1 0 216.281 -1.075 20 0 BAADRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@@H](O)CO ZINC000227148345 640817696 /nfs/dbraw/zinc/81/76/96/640817696.db2.gz GWDLSYROXZMDOQ-DJLDLDEBSA-N 1 0 216.281 -1.075 20 0 BAADRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@@H](O)CO ZINC000227148352 640817921 /nfs/dbraw/zinc/81/79/21/640817921.db2.gz GWDLSYROXZMDOQ-HRDYMLBCSA-N 1 0 216.281 -1.075 20 0 BAADRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@@H](O)CO ZINC000227148360 640817879 /nfs/dbraw/zinc/81/78/79/640817879.db2.gz GWDLSYROXZMDOQ-XHNCKOQMSA-N 1 0 216.281 -1.075 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)N1CCN(C)CC1 ZINC000227341613 388748274 /nfs/dbraw/zinc/74/82/74/388748274.db2.gz HWWKOWCGQQNPMQ-QMMMGPOBSA-N 1 0 201.270 -1.266 20 0 BAADRO CO[C@H](C[NH3+])C(=O)N1CCN(C)CC1 ZINC000227341620 388748705 /nfs/dbraw/zinc/74/87/05/388748705.db2.gz HWWKOWCGQQNPMQ-MRVPVSSYSA-N 1 0 201.270 -1.266 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)NCCN1CCOCC1 ZINC000227344867 632424720 /nfs/dbraw/zinc/42/47/20/632424720.db2.gz RYJXMNKACQZPBV-VIFPVBQESA-N 1 0 231.296 -1.592 20 0 BAADRO CO[C@H](C[NH3+])C(=O)NCCCN1CCOCC1 ZINC000227347738 536558094 /nfs/dbraw/zinc/55/80/94/536558094.db2.gz ALSSPYGUZLUUOR-SNVBAGLBSA-N 1 0 245.323 -1.201 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)N(C)CC(=O)N(C)C ZINC000227348493 134378211 /nfs/dbraw/zinc/37/82/11/134378211.db2.gz IMNVVXUZBFFJOK-ZETCQYMHSA-N 1 0 217.269 -1.493 20 0 BAADRO CO[C@H](C[NH3+])C(=O)N(C)CC(=O)N(C)C ZINC000227348503 536555175 /nfs/dbraw/zinc/55/51/75/536555175.db2.gz IMNVVXUZBFFJOK-SSDOTTSWSA-N 1 0 217.269 -1.493 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)N1CCN(CCO)CC1 ZINC000227349144 385130285 /nfs/dbraw/zinc/13/02/85/385130285.db2.gz FWYWUIXGUDSXST-VIFPVBQESA-N 1 0 231.296 -1.903 20 0 BAADRO CO[C@H](C[NH3+])C(=O)N1CCN(CCO)CC1 ZINC000227349150 385131616 /nfs/dbraw/zinc/13/16/16/385131616.db2.gz FWYWUIXGUDSXST-SECBINFHSA-N 1 0 231.296 -1.903 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)NCC(=O)NC(C)(C)C ZINC000227349229 134378943 /nfs/dbraw/zinc/37/89/43/134378943.db2.gz UDJOZYNECRACCZ-ZETCQYMHSA-N 1 0 231.296 -1.009 20 0 BAADRO CO[C@H](C[NH3+])C(=O)NCC(=O)NC(C)(C)C ZINC000227349238 536558664 /nfs/dbraw/zinc/55/86/64/536558664.db2.gz UDJOZYNECRACCZ-SSDOTTSWSA-N 1 0 231.296 -1.009 20 0 BAADRO CCCNC(=O)CNC(=O)[C@@H](C[NH3+])OC ZINC000227349368 134378904 /nfs/dbraw/zinc/37/89/04/134378904.db2.gz YMPIGAFSCQIYFN-SSDOTTSWSA-N 1 0 217.269 -1.398 20 0 BAADRO CCCNC(=O)CNC(=O)[C@H](C[NH3+])OC ZINC000227349375 134378799 /nfs/dbraw/zinc/37/87/99/134378799.db2.gz YMPIGAFSCQIYFN-ZETCQYMHSA-N 1 0 217.269 -1.398 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)N(C)CC(=O)NC1CC1 ZINC000227350186 385129717 /nfs/dbraw/zinc/12/97/17/385129717.db2.gz ZKVOYBZYGRHZQB-QMMMGPOBSA-N 1 0 229.280 -1.303 20 0 BAADRO CO[C@H](C[NH3+])C(=O)N(C)CC(=O)NC1CC1 ZINC000227350193 385129737 /nfs/dbraw/zinc/12/97/37/385129737.db2.gz ZKVOYBZYGRHZQB-MRVPVSSYSA-N 1 0 229.280 -1.303 20 0 BAADRO CCN(CC(=O)NC)C(=O)[C@H](C[NH3+])OC ZINC000227350206 640828829 /nfs/dbraw/zinc/82/88/29/640828829.db2.gz KESPEOSPLSEICU-ZETCQYMHSA-N 1 0 217.269 -1.445 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)N(CC(N)=O)C(C)C ZINC000227350217 134378480 /nfs/dbraw/zinc/37/84/80/134378480.db2.gz JEZUVOCJMWSMFI-ZETCQYMHSA-N 1 0 217.269 -1.318 20 0 BAADRO CO[C@H](C[NH3+])C(=O)N(CC(N)=O)C(C)C ZINC000227350222 536554910 /nfs/dbraw/zinc/55/49/10/536554910.db2.gz JEZUVOCJMWSMFI-SSDOTTSWSA-N 1 0 217.269 -1.318 20 0 BAADRO CCN(CC(=O)N(C)C)C(=O)[C@H](C[NH3+])OC ZINC000227351017 640829303 /nfs/dbraw/zinc/82/93/03/640829303.db2.gz GGUHUNLYDDJVFX-QMMMGPOBSA-N 1 0 231.296 -1.103 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)N[C@@H](C)CN1CCOCC1 ZINC000227353084 385129287 /nfs/dbraw/zinc/12/92/87/385129287.db2.gz LPWVZJJLRAEEAE-UWVGGRQHSA-N 1 0 245.323 -1.203 20 0 BAADRO CO[C@H](C[NH3+])C(=O)N[C@@H](C)CN1CCOCC1 ZINC000227353093 385129772 /nfs/dbraw/zinc/12/97/72/385129772.db2.gz LPWVZJJLRAEEAE-VHSXEESVSA-N 1 0 245.323 -1.203 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)N[C@H](C)CN1CCOCC1 ZINC000227353098 385129650 /nfs/dbraw/zinc/12/96/50/385129650.db2.gz LPWVZJJLRAEEAE-ZJUUUORDSA-N 1 0 245.323 -1.203 20 0 BAADRO CO[C@H](C[NH3+])C(=O)N[C@H](C)CN1CCOCC1 ZINC000227353104 385130045 /nfs/dbraw/zinc/13/00/45/385130045.db2.gz LPWVZJJLRAEEAE-NXEZZACHSA-N 1 0 245.323 -1.203 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)N[C@@H]1CCCCNC1=O ZINC000227354782 385131442 /nfs/dbraw/zinc/13/14/42/385131442.db2.gz GJUCZIJRIJJAFX-SFYZADRCSA-N 1 0 229.280 -1.255 20 0 BAADRO CO[C@H](C[NH3+])C(=O)N[C@@H]1CCCCNC1=O ZINC000227354788 385130376 /nfs/dbraw/zinc/13/03/76/385130376.db2.gz GJUCZIJRIJJAFX-HTQZYQBOSA-N 1 0 229.280 -1.255 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)N[C@H]1CCCCNC1=O ZINC000227354794 174725892 /nfs/dbraw/zinc/72/58/92/174725892.db2.gz GJUCZIJRIJJAFX-YUMQZZPRSA-N 1 0 229.280 -1.255 20 0 BAADRO CO[C@H](C[NH3+])C(=O)N[C@H]1CCCCNC1=O ZINC000227354800 385129991 /nfs/dbraw/zinc/12/99/91/385129991.db2.gz GJUCZIJRIJJAFX-JGVFFNPUSA-N 1 0 229.280 -1.255 20 0 BAADRO COC(=O)[C@H](C)NC(=O)[C@@H](C[NH3+])OC ZINC000227357298 134378373 /nfs/dbraw/zinc/37/83/73/134378373.db2.gz ZXNVMQMRJJOFRW-NTSWFWBYSA-N 1 0 204.226 -1.362 20 0 BAADRO COC(=O)[C@H](C)NC(=O)[C@H](C[NH3+])OC ZINC000227357305 350493640 /nfs/dbraw/zinc/49/36/40/350493640.db2.gz ZXNVMQMRJJOFRW-WDSKDSINSA-N 1 0 204.226 -1.362 20 0 BAADRO CCOC(=O)CNC(=O)[C@@H](C[NH3+])OC ZINC000227360321 363233546 /nfs/dbraw/zinc/23/35/46/363233546.db2.gz RLMGZKJKJTZYBO-ZCFIWIBFSA-N 1 0 204.226 -1.361 20 0 BAADRO CCOC(=O)CNC(=O)[C@H](C[NH3+])OC ZINC000227360329 134378689 /nfs/dbraw/zinc/37/86/89/134378689.db2.gz RLMGZKJKJTZYBO-LURJTMIESA-N 1 0 204.226 -1.361 20 0 BAADRO CCNC(=O)CN(CC)C(=O)[C@@H](C[NH3+])OC ZINC000227362644 134378900 /nfs/dbraw/zinc/37/89/00/134378900.db2.gz ZNPZIYZYTYZMCB-MRVPVSSYSA-N 1 0 231.296 -1.055 20 0 BAADRO CCNC(=O)CN(CC)C(=O)[C@H](C[NH3+])OC ZINC000227362648 134378587 /nfs/dbraw/zinc/37/85/87/134378587.db2.gz ZNPZIYZYTYZMCB-QMMMGPOBSA-N 1 0 231.296 -1.055 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)N(C)CC(=O)NC(C)C ZINC000227362846 134378371 /nfs/dbraw/zinc/37/83/71/134378371.db2.gz SXIZYYJUJPJJCI-QMMMGPOBSA-N 1 0 231.296 -1.057 20 0 BAADRO CO[C@H](C[NH3+])C(=O)N(C)CC(=O)NC(C)C ZINC000227362851 536553502 /nfs/dbraw/zinc/55/35/02/536553502.db2.gz SXIZYYJUJPJJCI-MRVPVSSYSA-N 1 0 231.296 -1.057 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)N(CC(N)=O)CC(C)C ZINC000227367464 134378801 /nfs/dbraw/zinc/37/88/01/134378801.db2.gz ADZBPCNCOALJLY-QMMMGPOBSA-N 1 0 231.296 -1.070 20 0 BAADRO CO[C@H](C[NH3+])C(=O)N(CC(N)=O)CC(C)C ZINC000227367470 536554274 /nfs/dbraw/zinc/55/42/74/536554274.db2.gz ADZBPCNCOALJLY-MRVPVSSYSA-N 1 0 231.296 -1.070 20 0 BAADRO CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C[NH3+])OC ZINC000227369263 173298099 /nfs/dbraw/zinc/29/80/99/173298099.db2.gz AZQWAZZUKHIKHJ-YUMQZZPRSA-N 1 0 229.280 -1.303 20 0 BAADRO CNC(=O)[C@H]1CCCN1C(=O)[C@H](C[NH3+])OC ZINC000227369270 173306790 /nfs/dbraw/zinc/30/67/90/173306790.db2.gz AZQWAZZUKHIKHJ-SFYZADRCSA-N 1 0 229.280 -1.303 20 0 BAADRO CCCN(CC(=O)NC)C(=O)[C@@H](C[NH3+])OC ZINC000227370675 134378488 /nfs/dbraw/zinc/37/84/88/134378488.db2.gz HDNFJLKAHXZZHO-MRVPVSSYSA-N 1 0 231.296 -1.055 20 0 BAADRO CCCN(CC(=O)NC)C(=O)[C@H](C[NH3+])OC ZINC000227370683 134378641 /nfs/dbraw/zinc/37/86/41/134378641.db2.gz HDNFJLKAHXZZHO-QMMMGPOBSA-N 1 0 231.296 -1.055 20 0 BAADRO COC(=O)CCNC(=O)[C@@H](C[NH3+])OC ZINC000227377034 134379285 /nfs/dbraw/zinc/37/92/85/134379285.db2.gz RHGJBPNYOYNINK-ZCFIWIBFSA-N 1 0 204.226 -1.361 20 0 BAADRO COC(=O)CCNC(=O)[C@H](C[NH3+])OC ZINC000227377041 134379099 /nfs/dbraw/zinc/37/90/99/134379099.db2.gz RHGJBPNYOYNINK-LURJTMIESA-N 1 0 204.226 -1.361 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)NCCn1cccn1 ZINC000227377646 363235356 /nfs/dbraw/zinc/23/53/56/363235356.db2.gz LFOMNFWOGZRAEN-QMMMGPOBSA-N 1 0 212.253 -1.027 20 0 BAADRO CO[C@H](C[NH3+])C(=O)NCCn1cccn1 ZINC000227377652 363235207 /nfs/dbraw/zinc/23/52/07/363235207.db2.gz LFOMNFWOGZRAEN-MRVPVSSYSA-N 1 0 212.253 -1.027 20 0 BAADRO COC(=O)[C@@H](C)NC(=O)[C@@H](C[NH3+])OC ZINC000227377986 134379216 /nfs/dbraw/zinc/37/92/16/134379216.db2.gz ZXNVMQMRJJOFRW-PHDIDXHHSA-N 1 0 204.226 -1.362 20 0 BAADRO COC(=O)[C@@H](C)NC(=O)[C@H](C[NH3+])OC ZINC000227377995 134379184 /nfs/dbraw/zinc/37/91/84/134379184.db2.gz ZXNVMQMRJJOFRW-RITPCOANSA-N 1 0 204.226 -1.362 20 0 BAADRO CCCNC(=O)CCNC(=O)[C@@H](C[NH3+])OC ZINC000227379443 350494809 /nfs/dbraw/zinc/49/48/09/350494809.db2.gz CYWPOLMALXITBX-MRVPVSSYSA-N 1 0 231.296 -1.007 20 0 BAADRO CCCNC(=O)CCNC(=O)[C@H](C[NH3+])OC ZINC000227379448 535043436 /nfs/dbraw/zinc/04/34/36/535043436.db2.gz CYWPOLMALXITBX-QMMMGPOBSA-N 1 0 231.296 -1.007 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)N1CCNC(=O)C1(C)C ZINC000227383695 385135004 /nfs/dbraw/zinc/13/50/04/385135004.db2.gz GOBHASAFMMVFID-ZETCQYMHSA-N 1 0 229.280 -1.303 20 0 BAADRO CO[C@H](C[NH3+])C(=O)N1CCNC(=O)C1(C)C ZINC000227383701 385135224 /nfs/dbraw/zinc/13/52/24/385135224.db2.gz GOBHASAFMMVFID-SSDOTTSWSA-N 1 0 229.280 -1.303 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)N1CCNC(=O)[C@@H]1C ZINC000227383704 387958562 /nfs/dbraw/zinc/95/85/62/387958562.db2.gz JHIVHGJYSSUCPM-BQBZGAKWSA-N 1 0 215.253 -1.693 20 0 BAADRO CO[C@H](C[NH3+])C(=O)N1CCNC(=O)[C@@H]1C ZINC000227383711 388750507 /nfs/dbraw/zinc/75/05/07/388750507.db2.gz JHIVHGJYSSUCPM-NKWVEPMBSA-N 1 0 215.253 -1.693 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)N1CCNC(=O)[C@H]1C ZINC000227383717 388750015 /nfs/dbraw/zinc/75/00/15/388750015.db2.gz JHIVHGJYSSUCPM-RQJHMYQMSA-N 1 0 215.253 -1.693 20 0 BAADRO CO[C@H](C[NH3+])C(=O)N1CCNC(=O)[C@H]1C ZINC000227383723 388750693 /nfs/dbraw/zinc/75/06/93/388750693.db2.gz JHIVHGJYSSUCPM-RNFRBKRXSA-N 1 0 215.253 -1.693 20 0 BAADRO CC[C@@H]1C(=O)NCCN1C(=O)[C@H](C[NH3+])OC ZINC000227383738 640831066 /nfs/dbraw/zinc/83/10/66/640831066.db2.gz KUZARTUTXFRMPB-SFYZADRCSA-N 1 0 229.280 -1.303 20 0 BAADRO CC[C@H]1C(=O)NCCN1C(=O)[C@H](C[NH3+])OC ZINC000227383743 640831703 /nfs/dbraw/zinc/83/17/03/640831703.db2.gz KUZARTUTXFRMPB-YUMQZZPRSA-N 1 0 229.280 -1.303 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)N1CCN(C)C(=O)C1 ZINC000227386725 487836603 /nfs/dbraw/zinc/83/66/03/487836603.db2.gz PVKYEADVPUBDQJ-ZETCQYMHSA-N 1 0 215.253 -1.739 20 0 BAADRO CO[C@H](C[NH3+])C(=O)N1CCN(C)C(=O)C1 ZINC000227386730 487836650 /nfs/dbraw/zinc/83/66/50/487836650.db2.gz PVKYEADVPUBDQJ-SSDOTTSWSA-N 1 0 215.253 -1.739 20 0 BAADRO CCN(CC)C(=O)CNC(=O)[C@H](C[NH3+])OC ZINC000227401500 640831582 /nfs/dbraw/zinc/83/15/82/640831582.db2.gz QOBOWFMFMILJNN-QMMMGPOBSA-N 1 0 231.296 -1.055 20 0 BAADRO CCN(C)C(=O)[C@@H](C)NC(=O)[C@@H](C[NH3+])OC ZINC000227412266 358355842 /nfs/dbraw/zinc/35/58/42/358355842.db2.gz FSOTUELZLQPHOA-HTQZYQBOSA-N 1 0 231.296 -1.057 20 0 BAADRO CCN(C)C(=O)[C@H](C)NC(=O)[C@@H](C[NH3+])OC ZINC000227412271 358356947 /nfs/dbraw/zinc/35/69/47/358356947.db2.gz FSOTUELZLQPHOA-JGVFFNPUSA-N 1 0 231.296 -1.057 20 0 BAADRO CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C[NH3+])OC ZINC000227412277 358356832 /nfs/dbraw/zinc/35/68/32/358356832.db2.gz FSOTUELZLQPHOA-SFYZADRCSA-N 1 0 231.296 -1.057 20 0 BAADRO CCN(C)C(=O)[C@H](C)NC(=O)[C@H](C[NH3+])OC ZINC000227412283 358356663 /nfs/dbraw/zinc/35/66/63/358356663.db2.gz FSOTUELZLQPHOA-YUMQZZPRSA-N 1 0 231.296 -1.057 20 0 BAADRO CNC(=O)[C@@H]1CCCN(C(=O)[C@@H](C[NH3+])OC)C1 ZINC000227412402 173298025 /nfs/dbraw/zinc/29/80/25/173298025.db2.gz BCTSKMXWCDPVGO-RKDXNWHRSA-N 1 0 243.307 -1.055 20 0 BAADRO CNC(=O)[C@H]1CCCN(C(=O)[C@@H](C[NH3+])OC)C1 ZINC000227412407 173306707 /nfs/dbraw/zinc/30/67/07/173306707.db2.gz BCTSKMXWCDPVGO-DTWKUNHWSA-N 1 0 243.307 -1.055 20 0 BAADRO CNC(=O)[C@@H]1CCCN(C(=O)[C@H](C[NH3+])OC)C1 ZINC000227412415 173297497 /nfs/dbraw/zinc/29/74/97/173297497.db2.gz BCTSKMXWCDPVGO-BDAKNGLRSA-N 1 0 243.307 -1.055 20 0 BAADRO CNC(=O)[C@H]1CCCN(C(=O)[C@H](C[NH3+])OC)C1 ZINC000227412420 173306375 /nfs/dbraw/zinc/30/63/75/173306375.db2.gz BCTSKMXWCDPVGO-IUCAKERBSA-N 1 0 243.307 -1.055 20 0 BAADRO CNC(=O)[C@H](C)CN(C)C(=O)[C@@H](C[NH3+])OC ZINC000227413250 536373826 /nfs/dbraw/zinc/37/38/26/536373826.db2.gz DTPOAMGMAXMRLE-HTQZYQBOSA-N 1 0 231.296 -1.199 20 0 BAADRO C[NH2+]C[C@@H]1CCCN1CC(=O)NC(N)=O ZINC000227729091 388756148 /nfs/dbraw/zinc/75/61/48/388756148.db2.gz YLKBUGYJFABOSI-ZETCQYMHSA-N 1 0 214.269 -1.135 20 0 BAADRO C[NH2+]C[C@H]1CCCN1CC(=O)NC(N)=O ZINC000227729335 259633470 /nfs/dbraw/zinc/63/34/70/259633470.db2.gz YLKBUGYJFABOSI-SSDOTTSWSA-N 1 0 214.269 -1.135 20 0 BAADRO CNC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)CO)C1 ZINC000227864829 640852368 /nfs/dbraw/zinc/85/23/68/640852368.db2.gz RBXJLERRHALBDA-RKDXNWHRSA-N 1 0 216.281 -1.202 20 0 BAADRO CNC(=O)[C@H]1CCC[N@H+](C[C@@H](O)CO)C1 ZINC000227864832 640852464 /nfs/dbraw/zinc/85/24/64/640852464.db2.gz RBXJLERRHALBDA-DTWKUNHWSA-N 1 0 216.281 -1.202 20 0 BAADRO CNS(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000227916119 173406476 /nfs/dbraw/zinc/40/64/76/173406476.db2.gz VIQYVSHWOORDCU-SSDOTTSWSA-N 1 0 225.314 -1.647 20 0 BAADRO CNS(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000227916124 384304334 /nfs/dbraw/zinc/30/43/34/384304334.db2.gz VIQYVSHWOORDCU-ZETCQYMHSA-N 1 0 225.314 -1.647 20 0 BAADRO C[NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCOCC1 ZINC000228125975 358369161 /nfs/dbraw/zinc/36/91/61/358369161.db2.gz HVDGARVNBMALRW-IUCAKERBSA-N 1 0 243.307 -1.042 20 0 BAADRO C[NH2+][C@H](C)C(=O)N[C@@H](C)C(=O)N1CCOCC1 ZINC000228125984 358369218 /nfs/dbraw/zinc/36/92/18/358369218.db2.gz HVDGARVNBMALRW-BDAKNGLRSA-N 1 0 243.307 -1.042 20 0 BAADRO C[NH2+][C@@H](C)C(=O)N[C@H](C)C(=O)N1CCOCC1 ZINC000228125995 358369099 /nfs/dbraw/zinc/36/90/99/358369099.db2.gz HVDGARVNBMALRW-DTWKUNHWSA-N 1 0 243.307 -1.042 20 0 BAADRO C[NH2+][C@H](C)C(=O)N[C@H](C)C(=O)N1CCOCC1 ZINC000228126003 358369286 /nfs/dbraw/zinc/36/92/86/358369286.db2.gz HVDGARVNBMALRW-RKDXNWHRSA-N 1 0 243.307 -1.042 20 0 BAADRO C[NH2+]CCC(=O)N[C@@H](C)C(=O)N1CCOCC1 ZINC000228126313 173340707 /nfs/dbraw/zinc/34/07/07/173340707.db2.gz IHJYWHZXWXFRRC-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO C[NH2+]CCC(=O)N[C@H](C)C(=O)N1CCOCC1 ZINC000228126322 173341570 /nfs/dbraw/zinc/34/15/70/173341570.db2.gz IHJYWHZXWXFRRC-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO COC(=O)N[C@H]1CC[N@H+](C[C@@H](O)CO)C1 ZINC000228325289 711834478 /nfs/dbraw/zinc/83/44/78/711834478.db2.gz SQLOYJBKIRQKKW-JGVFFNPUSA-N 1 0 218.253 -1.230 20 0 BAADRO CNC(=O)CCN(C)C(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000228503213 358377572 /nfs/dbraw/zinc/37/75/72/358377572.db2.gz ZLVKGAFFPWJJHN-DTWKUNHWSA-N 1 0 243.307 -1.042 20 0 BAADRO Cn1nnnc1NC[C@](C)(O)C[NH+](C)C ZINC000228670048 348245204 /nfs/dbraw/zinc/24/52/04/348245204.db2.gz CMFHXLLQALVYED-QMMMGPOBSA-N 1 0 214.273 -1.065 20 0 BAADRO Cn1nnnc1NC[C@@](C)(O)C[NH+](C)C ZINC000228670056 348245530 /nfs/dbraw/zinc/24/55/30/348245530.db2.gz CMFHXLLQALVYED-MRVPVSSYSA-N 1 0 214.273 -1.065 20 0 BAADRO C[NH+](C)C[C@@](C)(O)CNS(C)(=O)=O ZINC000228677207 323365846 /nfs/dbraw/zinc/36/58/46/323365846.db2.gz MDWLDTUZAZKOQS-ZETCQYMHSA-N 1 0 210.299 -1.152 20 0 BAADRO C[NH+](C)C[C@](C)(O)CNS(C)(=O)=O ZINC000228677216 323366209 /nfs/dbraw/zinc/36/62/09/323366209.db2.gz MDWLDTUZAZKOQS-SSDOTTSWSA-N 1 0 210.299 -1.152 20 0 BAADRO CN(C)S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000228678108 323366069 /nfs/dbraw/zinc/36/60/69/323366069.db2.gz UTJNAAUJQLLYMU-QMMMGPOBSA-N 1 0 239.341 -1.305 20 0 BAADRO CN(C)S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000228678118 323365838 /nfs/dbraw/zinc/36/58/38/323365838.db2.gz UTJNAAUJQLLYMU-MRVPVSSYSA-N 1 0 239.341 -1.305 20 0 BAADRO NC(=O)[C@@H](O)C[NH2+]CC1(O)CCCC1 ZINC000228701810 358384400 /nfs/dbraw/zinc/38/44/00/358384400.db2.gz DCTGUIHMRWYOMH-ZETCQYMHSA-N 1 0 202.254 -1.273 20 0 BAADRO NC(=O)[C@H](O)C[NH2+]CC1(O)CCCC1 ZINC000228701822 358384606 /nfs/dbraw/zinc/38/46/06/358384606.db2.gz DCTGUIHMRWYOMH-SSDOTTSWSA-N 1 0 202.254 -1.273 20 0 BAADRO COCCNC(=O)CNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000228710338 358384390 /nfs/dbraw/zinc/38/43/90/358384390.db2.gz YDXAUKAXZPYGOS-RKDXNWHRSA-N 1 0 243.307 -1.137 20 0 BAADRO COCCNC(=O)CNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000228710346 358384781 /nfs/dbraw/zinc/38/47/81/358384781.db2.gz YDXAUKAXZPYGOS-BDAKNGLRSA-N 1 0 243.307 -1.137 20 0 BAADRO COCCNC(=O)CNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000228710355 358384597 /nfs/dbraw/zinc/38/45/97/358384597.db2.gz YDXAUKAXZPYGOS-DTWKUNHWSA-N 1 0 243.307 -1.137 20 0 BAADRO COCCNC(=O)CNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000228710360 358384903 /nfs/dbraw/zinc/38/49/03/358384903.db2.gz YDXAUKAXZPYGOS-IUCAKERBSA-N 1 0 243.307 -1.137 20 0 BAADRO COCCNC(=O)CNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000228710660 635461728 /nfs/dbraw/zinc/46/17/28/635461728.db2.gz VEUJOCRCWDXBBG-SECBINFHSA-N 1 0 243.307 -1.007 20 0 BAADRO COCCNC(=O)CNC(=O)C[C@H]([NH3+])C1CC1 ZINC000228710669 640890009 /nfs/dbraw/zinc/89/00/09/640890009.db2.gz VEUJOCRCWDXBBG-VIFPVBQESA-N 1 0 243.307 -1.007 20 0 BAADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1nnc[nH]1 ZINC000228748832 386609766 /nfs/dbraw/zinc/60/97/66/386609766.db2.gz YWYYIWLYXDOZPC-VIFPVBQESA-N 1 0 227.268 -1.153 20 0 BAADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1nnc[nH]1 ZINC000228748840 386610600 /nfs/dbraw/zinc/61/06/00/386610600.db2.gz YWYYIWLYXDOZPC-SECBINFHSA-N 1 0 227.268 -1.153 20 0 BAADRO CC(=O)N(C)CC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000228749766 387123621 /nfs/dbraw/zinc/12/36/21/387123621.db2.gz ZYVTXIKKRXWALH-LLVKDONJSA-N 1 0 245.323 -1.107 20 0 BAADRO CC(=O)N(C)CC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000228749776 387123907 /nfs/dbraw/zinc/12/39/07/387123907.db2.gz ZYVTXIKKRXWALH-NSHDSACASA-N 1 0 245.323 -1.107 20 0 BAADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cn[nH]n1 ZINC000228752725 384319502 /nfs/dbraw/zinc/31/95/02/384319502.db2.gz NEROVJQXYWRZTO-VIFPVBQESA-N 1 0 227.268 -1.153 20 0 BAADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cn[nH]n1 ZINC000228752737 172498180 /nfs/dbraw/zinc/49/81/80/172498180.db2.gz NEROVJQXYWRZTO-SECBINFHSA-N 1 0 227.268 -1.153 20 0 BAADRO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1COCCO1 ZINC000228754432 384318205 /nfs/dbraw/zinc/31/82/05/384318205.db2.gz DGGDXIAZTANNQC-ONGXEEELSA-N 1 0 246.307 -1.169 20 0 BAADRO C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1COCCO1 ZINC000228754445 384320942 /nfs/dbraw/zinc/32/09/42/384320942.db2.gz DGGDXIAZTANNQC-GXSJLCMTSA-N 1 0 246.307 -1.169 20 0 BAADRO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@H]1COCCO1 ZINC000228754459 384320130 /nfs/dbraw/zinc/32/01/30/384320130.db2.gz DGGDXIAZTANNQC-KOLCDFICSA-N 1 0 246.307 -1.169 20 0 BAADRO C[NH+](C)C[C@](C)(O)CNC(=O)[C@H]1COCCO1 ZINC000228754468 384318944 /nfs/dbraw/zinc/31/89/44/384318944.db2.gz DGGDXIAZTANNQC-MWLCHTKSSA-N 1 0 246.307 -1.169 20 0 BAADRO CN1CCN(S(N)(=O)=O)[C@@H](C[NH3+])C1 ZINC000229053675 372111500 /nfs/dbraw/zinc/11/15/00/372111500.db2.gz QHWBIMMJSLNDSM-LURJTMIESA-N 1 0 208.287 -2.235 20 0 BAADRO CS(=O)(=O)NCCCNC(=O)C[NH2+]C1CC1 ZINC000229079589 358345072 /nfs/dbraw/zinc/34/50/72/358345072.db2.gz MGYJSBNQHQDJRL-UHFFFAOYSA-N 1 0 249.336 -1.206 20 0 BAADRO CCNS(=O)(=O)CCNC(=O)C[NH2+]C1CC1 ZINC000229086336 640921075 /nfs/dbraw/zinc/92/10/75/640921075.db2.gz PPPCZUUVBLFTCE-UHFFFAOYSA-N 1 0 249.336 -1.206 20 0 BAADRO CC(C)(C)[C@H]([NH3+])C(=O)NCCOCC(N)=O ZINC000230057307 358390531 /nfs/dbraw/zinc/39/05/31/358390531.db2.gz KLNXCSZPWDIKPN-MRVPVSSYSA-N 1 0 231.296 -1.022 20 0 BAADRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCCOCC(N)=O ZINC000230057498 388811943 /nfs/dbraw/zinc/81/19/43/388811943.db2.gz IAUXWOWLOMYQDX-APPZFPTMSA-N 1 0 231.296 -1.022 20 0 BAADRO CC[C@H](C)[C@H]([NH3+])C(=O)NCCOCC(N)=O ZINC000230057502 388811843 /nfs/dbraw/zinc/81/18/43/388811843.db2.gz IAUXWOWLOMYQDX-CBAPKCEASA-N 1 0 231.296 -1.022 20 0 BAADRO CC(C)C[C@H]([NH3+])C(=O)NCCOCC(N)=O ZINC000230057533 358390832 /nfs/dbraw/zinc/39/08/32/358390832.db2.gz JLZUCZUHMXJZKX-QMMMGPOBSA-N 1 0 231.296 -1.022 20 0 BAADRO C[C@@]1(C(=O)NCCOCC(N)=O)CCC[NH2+]1 ZINC000230057930 358390781 /nfs/dbraw/zinc/39/07/81/358390781.db2.gz AEVHOHFQCAWMCF-JTQLQIEISA-N 1 0 229.280 -1.253 20 0 BAADRO C[C@]1(C(=O)NCCOCC(N)=O)CCC[NH2+]1 ZINC000230057933 358390943 /nfs/dbraw/zinc/39/09/43/358390943.db2.gz AEVHOHFQCAWMCF-SNVBAGLBSA-N 1 0 229.280 -1.253 20 0 BAADRO NC(=O)COCCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000230058426 358391277 /nfs/dbraw/zinc/39/12/77/358391277.db2.gz SBYMARBWACXVOR-QMMMGPOBSA-N 1 0 229.280 -1.253 20 0 BAADRO NC(=O)COCCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000230058432 358390948 /nfs/dbraw/zinc/39/09/48/358390948.db2.gz SBYMARBWACXVOR-MRVPVSSYSA-N 1 0 229.280 -1.253 20 0 BAADRO C[C@@]1(C(=O)NCCOCC(N)=O)CCC[NH2+]C1 ZINC000230059726 358391861 /nfs/dbraw/zinc/39/18/61/358391861.db2.gz FCMXFSZOGDNVCH-LLVKDONJSA-N 1 0 243.307 -1.006 20 0 BAADRO C[C@]1(C(=O)NCCOCC(N)=O)CCC[NH2+]C1 ZINC000230059729 358391528 /nfs/dbraw/zinc/39/15/28/358391528.db2.gz FCMXFSZOGDNVCH-NSHDSACASA-N 1 0 243.307 -1.006 20 0 BAADRO [NH3+]C1(CNC(=O)Cn2cnnn2)CCC1 ZINC000230067103 388812850 /nfs/dbraw/zinc/81/28/50/388812850.db2.gz FHMHEIJYRVPBFN-UHFFFAOYSA-N 1 0 210.241 -1.329 20 0 BAADRO NC(=O)COCCNC(=O)c1c[nH+]ccc1N ZINC000230101279 358393947 /nfs/dbraw/zinc/39/39/47/358393947.db2.gz JOGLYZNFKJBRAS-UHFFFAOYSA-N 1 0 238.247 -1.105 20 0 BAADRO COC(=O)CN(CC(=O)OC)C(=O)C[NH+](C)C ZINC000230106174 385708579 /nfs/dbraw/zinc/70/85/79/385708579.db2.gz ONQDCVBBKLJCRV-UHFFFAOYSA-N 1 0 246.263 -1.277 20 0 BAADRO CO[C@@H]1CN(C(=O)CNC(=O)C[NH3+])CC[C@@H]1C ZINC000230243552 358395653 /nfs/dbraw/zinc/39/56/53/358395653.db2.gz NAFVUEDCQMMNKH-DTWKUNHWSA-N 1 0 243.307 -1.055 20 0 BAADRO CO[C@H]1CN(C(=O)CNC(=O)C[NH3+])CC[C@@H]1C ZINC000230243556 358396313 /nfs/dbraw/zinc/39/63/13/358396313.db2.gz NAFVUEDCQMMNKH-IUCAKERBSA-N 1 0 243.307 -1.055 20 0 BAADRO CO[C@@H]1CN(C(=O)CNC(=O)C[NH3+])CC[C@H]1C ZINC000230243560 358395904 /nfs/dbraw/zinc/39/59/04/358395904.db2.gz NAFVUEDCQMMNKH-RKDXNWHRSA-N 1 0 243.307 -1.055 20 0 BAADRO CO[C@H]1CN(C(=O)CNC(=O)C[NH3+])CC[C@H]1C ZINC000230243563 358395838 /nfs/dbraw/zinc/39/58/38/358395838.db2.gz NAFVUEDCQMMNKH-BDAKNGLRSA-N 1 0 243.307 -1.055 20 0 BAADRO CN1CC[C@@H](NC(=O)CN2CC[NH2+]CC2)C1=O ZINC000230256105 488079083 /nfs/dbraw/zinc/07/90/83/488079083.db2.gz CZXDQOBVQJMKHT-SECBINFHSA-N 1 0 240.307 -1.762 20 0 BAADRO CN1CC[C@H](NC(=O)CN2CC[NH2+]CC2)C1=O ZINC000230256108 488078886 /nfs/dbraw/zinc/07/88/86/488078886.db2.gz CZXDQOBVQJMKHT-VIFPVBQESA-N 1 0 240.307 -1.762 20 0 BAADRO CC(C)(CNC(=O)CN1CC[NH2+]CC1)C(N)=O ZINC000230391190 488095778 /nfs/dbraw/zinc/09/57/78/488095778.db2.gz HXTUIDLPRKYCIT-UHFFFAOYSA-N 1 0 242.323 -1.481 20 0 BAADRO CNC(=O)C(C)(C)CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000230393424 488095492 /nfs/dbraw/zinc/09/54/92/488095492.db2.gz HZJSAPPSBMXONM-QMMMGPOBSA-N 1 0 243.307 -1.137 20 0 BAADRO CNC(=O)C(C)(C)CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000230393427 388825258 /nfs/dbraw/zinc/82/52/58/388825258.db2.gz HZJSAPPSBMXONM-MRVPVSSYSA-N 1 0 243.307 -1.137 20 0 BAADRO C[C@@]1(NC(=O)Cn2cnnn2)CC[NH2+]C1 ZINC000230731165 488144030 /nfs/dbraw/zinc/14/40/30/488144030.db2.gz CWDRPLOVVMFHOF-MRVPVSSYSA-N 1 0 210.241 -1.459 20 0 BAADRO C[C@]1(NC(=O)Cn2cnnn2)CC[NH2+]C1 ZINC000230731166 488143886 /nfs/dbraw/zinc/14/38/86/488143886.db2.gz CWDRPLOVVMFHOF-QMMMGPOBSA-N 1 0 210.241 -1.459 20 0 BAADRO CCNS(=O)(=O)NC1(C[NH3+])CCOCC1 ZINC000230732558 347000765 /nfs/dbraw/zinc/00/07/65/347000765.db2.gz WMXDBCHKWNJTPO-UHFFFAOYSA-N 1 0 237.325 -1.062 20 0 BAADRO C[C@@]1(NS(=O)(=O)N2CCOCC2)CC[NH2+]C1 ZINC000230735888 488149559 /nfs/dbraw/zinc/14/95/59/488149559.db2.gz MEVIABYTYBJQPN-SECBINFHSA-N 1 0 249.336 -1.095 20 0 BAADRO C[C@]1(NS(=O)(=O)N2CCOCC2)CC[NH2+]C1 ZINC000230735890 488149180 /nfs/dbraw/zinc/14/91/80/488149180.db2.gz MEVIABYTYBJQPN-VIFPVBQESA-N 1 0 249.336 -1.095 20 0 BAADRO CCNS(=O)(=O)CCNC(=O)[C@@H](C)C[NH3+] ZINC000230992109 641119510 /nfs/dbraw/zinc/11/95/10/641119510.db2.gz YHYQLBUDGLRBLV-ZETCQYMHSA-N 1 0 237.325 -1.363 20 0 BAADRO CCNS(=O)(=O)CCNC(=O)[C@H](C)C[NH3+] ZINC000230992112 641121302 /nfs/dbraw/zinc/12/13/02/641121302.db2.gz YHYQLBUDGLRBLV-SSDOTTSWSA-N 1 0 237.325 -1.363 20 0 BAADRO CNS(=O)(=O)CC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000230995286 488179354 /nfs/dbraw/zinc/17/93/54/488179354.db2.gz FTERSQCHMIVRHA-MRVPVSSYSA-N 1 0 249.336 -1.206 20 0 BAADRO CNS(=O)(=O)CC[NH2+][C@H]1CCCNC(=O)C1 ZINC000230995289 488179338 /nfs/dbraw/zinc/17/93/38/488179338.db2.gz FTERSQCHMIVRHA-QMMMGPOBSA-N 1 0 249.336 -1.206 20 0 BAADRO CS(=O)(=O)NCCCNC(=O)C1([NH3+])CCC1 ZINC000230997546 350611633 /nfs/dbraw/zinc/61/16/33/350611633.db2.gz WEICVPWTKCYOAC-UHFFFAOYSA-N 1 0 249.336 -1.077 20 0 BAADRO C[NH2+][C@@H](C)C(=O)NCCCNS(C)(=O)=O ZINC000230997819 358413179 /nfs/dbraw/zinc/41/31/79/358413179.db2.gz OBSHIGCDWMMUCV-ZETCQYMHSA-N 1 0 237.325 -1.350 20 0 BAADRO CCNS(=O)(=O)CCNC(=O)CC[NH2+]C ZINC000231001505 641124363 /nfs/dbraw/zinc/12/43/63/641124363.db2.gz QOIBWBFDUHEDGO-UHFFFAOYSA-N 1 0 237.325 -1.349 20 0 BAADRO CCNS(=O)(=O)CCNC(=O)[C@H](C)[NH2+]C ZINC000231001643 641124343 /nfs/dbraw/zinc/12/43/43/641124343.db2.gz LHVXXFISNKHQGY-ZETCQYMHSA-N 1 0 237.325 -1.350 20 0 BAADRO CNC(=[NH2+])NCCS(=O)(=O)N(C)C ZINC000231015226 641124555 /nfs/dbraw/zinc/12/45/55/641124555.db2.gz WWENVNJWCVVUNX-UHFFFAOYSA-N 1 0 208.287 -1.378 20 0 BAADRO COC(=O)[C@@H](O)CNC(=O)C[NH+](C)C ZINC000231210752 363340540 /nfs/dbraw/zinc/34/05/40/363340540.db2.gz SWVXZJGIZRZKOE-LURJTMIESA-N 1 0 204.226 -1.802 20 0 BAADRO COC(=O)[C@H](O)CNC(=O)C[NH+](C)C ZINC000231210761 363340591 /nfs/dbraw/zinc/34/05/91/363340591.db2.gz SWVXZJGIZRZKOE-ZCFIWIBFSA-N 1 0 204.226 -1.802 20 0 BAADRO CCN(C)C(=O)[C@@H](C)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000231854575 487482077 /nfs/dbraw/zinc/48/20/77/487482077.db2.gz NHHSEOZBZQXTPI-BDAKNGLRSA-N 1 0 243.307 -1.042 20 0 BAADRO CCN(C)C(=O)[C@H](C)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000231854577 487482320 /nfs/dbraw/zinc/48/23/20/487482320.db2.gz NHHSEOZBZQXTPI-IUCAKERBSA-N 1 0 243.307 -1.042 20 0 BAADRO CCN(C)C(=O)[C@@H](C)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000231854578 388843966 /nfs/dbraw/zinc/84/39/66/388843966.db2.gz NHHSEOZBZQXTPI-RKDXNWHRSA-N 1 0 243.307 -1.042 20 0 BAADRO CCN(C)C(=O)[C@H](C)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000231854580 388843860 /nfs/dbraw/zinc/84/38/60/388843860.db2.gz NHHSEOZBZQXTPI-DTWKUNHWSA-N 1 0 243.307 -1.042 20 0 BAADRO CCN(C)C(=O)[C@@H](C)NC(=O)COCC[NH3+] ZINC000231855493 487482475 /nfs/dbraw/zinc/48/24/75/487482475.db2.gz GZRJAGSYERJNSI-MRVPVSSYSA-N 1 0 231.296 -1.055 20 0 BAADRO CCN(C)C(=O)[C@H](C)NC(=O)COCC[NH3+] ZINC000231855495 487482395 /nfs/dbraw/zinc/48/23/95/487482395.db2.gz GZRJAGSYERJNSI-QMMMGPOBSA-N 1 0 231.296 -1.055 20 0 BAADRO CO[C@@H](C[NH3+])CC(=O)NCCN1CCOCC1 ZINC000232111364 357644799 /nfs/dbraw/zinc/64/47/99/357644799.db2.gz HETOUZZNRVZKLC-SNVBAGLBSA-N 1 0 245.323 -1.201 20 0 BAADRO CO[C@H](C[NH3+])CC(=O)NCCN1CCOCC1 ZINC000232111367 357644730 /nfs/dbraw/zinc/64/47/30/357644730.db2.gz HETOUZZNRVZKLC-JTQLQIEISA-N 1 0 245.323 -1.201 20 0 BAADRO CO[C@@H](C[NH3+])CC(=O)N1CCNC(=O)C1 ZINC000232111460 363361791 /nfs/dbraw/zinc/36/17/91/363361791.db2.gz PWJMSULVUASSRK-SSDOTTSWSA-N 1 0 215.253 -1.691 20 0 BAADRO CO[C@H](C[NH3+])CC(=O)N1CCNC(=O)C1 ZINC000232111461 363362098 /nfs/dbraw/zinc/36/20/98/363362098.db2.gz PWJMSULVUASSRK-ZETCQYMHSA-N 1 0 215.253 -1.691 20 0 BAADRO CO[C@@H](C[NH3+])CC(=O)N(C)CC(=O)N(C)C ZINC000232112037 357645718 /nfs/dbraw/zinc/64/57/18/357645718.db2.gz UDNZDRCEUJGRPW-MRVPVSSYSA-N 1 0 231.296 -1.103 20 0 BAADRO CO[C@H](C[NH3+])CC(=O)N(C)CC(=O)N(C)C ZINC000232112038 357645826 /nfs/dbraw/zinc/64/58/26/357645826.db2.gz UDNZDRCEUJGRPW-QMMMGPOBSA-N 1 0 231.296 -1.103 20 0 BAADRO CO[C@@H](C[NH3+])CC(=O)N1CCN(CCO)CC1 ZINC000232112080 357645968 /nfs/dbraw/zinc/64/59/68/357645968.db2.gz MDHUTWWHMAOFPK-SNVBAGLBSA-N 1 0 245.323 -1.513 20 0 BAADRO CO[C@H](C[NH3+])CC(=O)N1CCN(CCO)CC1 ZINC000232112081 357645725 /nfs/dbraw/zinc/64/57/25/357645725.db2.gz MDHUTWWHMAOFPK-JTQLQIEISA-N 1 0 245.323 -1.513 20 0 BAADRO CCCNC(=O)CNC(=O)C[C@@H](C[NH3+])OC ZINC000232112120 535072597 /nfs/dbraw/zinc/07/25/97/535072597.db2.gz KEDMSOZJHHREOF-QMMMGPOBSA-N 1 0 231.296 -1.007 20 0 BAADRO CCCNC(=O)CNC(=O)C[C@H](C[NH3+])OC ZINC000232112122 357645933 /nfs/dbraw/zinc/64/59/33/357645933.db2.gz KEDMSOZJHHREOF-MRVPVSSYSA-N 1 0 231.296 -1.007 20 0 BAADRO CCN(CC(=O)NC)C(=O)C[C@@H](C[NH3+])OC ZINC000232112329 635511218 /nfs/dbraw/zinc/51/12/18/635511218.db2.gz YSHNNBJGYAHWAF-QMMMGPOBSA-N 1 0 231.296 -1.055 20 0 BAADRO CCN(CC(=O)NC)C(=O)C[C@H](C[NH3+])OC ZINC000232112331 635510990 /nfs/dbraw/zinc/51/09/90/635510990.db2.gz YSHNNBJGYAHWAF-MRVPVSSYSA-N 1 0 231.296 -1.055 20 0 BAADRO CCNC(=O)CN(C)C(=O)C[C@@H](C[NH3+])OC ZINC000232116741 487514041 /nfs/dbraw/zinc/51/40/41/487514041.db2.gz YCAMMILIDAWMCG-QMMMGPOBSA-N 1 0 231.296 -1.055 20 0 BAADRO CCNC(=O)CN(C)C(=O)C[C@H](C[NH3+])OC ZINC000232116744 487513933 /nfs/dbraw/zinc/51/39/33/487513933.db2.gz YCAMMILIDAWMCG-MRVPVSSYSA-N 1 0 231.296 -1.055 20 0 BAADRO CO[C@@H](C[NH3+])CC(=O)N1CCNC(=O)[C@@H]1C ZINC000232120499 353690898 /nfs/dbraw/zinc/69/08/98/353690898.db2.gz BYYWRBJCEMZTPE-JGVFFNPUSA-N 1 0 229.280 -1.303 20 0 BAADRO CO[C@H](C[NH3+])CC(=O)N1CCNC(=O)[C@@H]1C ZINC000232120501 135647982 /nfs/dbraw/zinc/64/79/82/135647982.db2.gz BYYWRBJCEMZTPE-YUMQZZPRSA-N 1 0 229.280 -1.303 20 0 BAADRO CO[C@@H](C[NH3+])CC(=O)N1CCNC(=O)[C@H]1C ZINC000232120503 353690730 /nfs/dbraw/zinc/69/07/30/353690730.db2.gz BYYWRBJCEMZTPE-HTQZYQBOSA-N 1 0 229.280 -1.303 20 0 BAADRO CO[C@H](C[NH3+])CC(=O)N1CCNC(=O)[C@H]1C ZINC000232120505 353691102 /nfs/dbraw/zinc/69/11/02/353691102.db2.gz BYYWRBJCEMZTPE-SFYZADRCSA-N 1 0 229.280 -1.303 20 0 BAADRO CO[C@@H](C[NH3+])CC(=O)N1CCN(C)C(=O)C1 ZINC000232121298 342788013 /nfs/dbraw/zinc/78/80/13/342788013.db2.gz YYKWIEQBFYJFLC-MRVPVSSYSA-N 1 0 229.280 -1.349 20 0 BAADRO CO[C@H](C[NH3+])CC(=O)N1CCN(C)C(=O)C1 ZINC000232121301 342787920 /nfs/dbraw/zinc/78/79/20/342787920.db2.gz YYKWIEQBFYJFLC-QMMMGPOBSA-N 1 0 229.280 -1.349 20 0 BAADRO CCOC(=O)COCC[NH2+]C(CO)CO ZINC000232446779 342835082 /nfs/dbraw/zinc/83/50/82/342835082.db2.gz IRCABLAQZMMJTJ-UHFFFAOYSA-N 1 0 221.253 -1.491 20 0 BAADRO CCOC(=O)C[C@@H](O)C[NH2+]C(CO)CO ZINC000232446781 352667763 /nfs/dbraw/zinc/66/77/63/352667763.db2.gz MOQWCNADLLCZFQ-MRVPVSSYSA-N 1 0 221.253 -1.757 20 0 BAADRO CCOC(=O)C[C@H](O)C[NH2+]C(CO)CO ZINC000232446783 352667758 /nfs/dbraw/zinc/66/77/58/352667758.db2.gz MOQWCNADLLCZFQ-QMMMGPOBSA-N 1 0 221.253 -1.757 20 0 BAADRO CC(C)NC(=O)CC[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000232644087 386550270 /nfs/dbraw/zinc/55/02/70/386550270.db2.gz LFVHOONVZVUVDW-RKDXNWHRSA-N 1 0 216.281 -1.062 20 0 BAADRO CC(C)NC(=O)CC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000232644251 386548780 /nfs/dbraw/zinc/54/87/80/386548780.db2.gz LFVHOONVZVUVDW-IUCAKERBSA-N 1 0 216.281 -1.062 20 0 BAADRO CC(C)OC[C@@H](O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000232675266 353162370 /nfs/dbraw/zinc/16/23/70/353162370.db2.gz JQJZWMCNBLOFSV-GUBZILKMSA-N 1 0 219.281 -1.190 20 0 BAADRO CC(C)OC[C@H](O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000232702889 363379815 /nfs/dbraw/zinc/37/98/15/363379815.db2.gz JQJZWMCNBLOFSV-UTLUCORTSA-N 1 0 219.281 -1.190 20 0 BAADRO CCCCNC(=O)CN1C[C@@H](O)[C@H](O)C1 ZINC000232978963 136230106 /nfs/dbraw/zinc/23/01/06/136230106.db2.gz VCAAYMHWQYDHAS-RKDXNWHRSA-N 1 0 216.281 -1.060 20 0 BAADRO CCCCNC(=O)CN1C[C@H](O)[C@@H](O)C1 ZINC000232979153 136230179 /nfs/dbraw/zinc/23/01/79/136230179.db2.gz VCAAYMHWQYDHAS-IUCAKERBSA-N 1 0 216.281 -1.060 20 0 BAADRO CCNC(=O)CC[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000233501276 363403295 /nfs/dbraw/zinc/40/32/95/363403295.db2.gz QCEPRNCZIQIXPB-HTQZYQBOSA-N 1 0 202.254 -1.450 20 0 BAADRO CCNC(=O)CC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000233501398 535789722 /nfs/dbraw/zinc/78/97/22/535789722.db2.gz QCEPRNCZIQIXPB-YUMQZZPRSA-N 1 0 202.254 -1.450 20 0 BAADRO CCOC(=O)CC[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000233656350 363405196 /nfs/dbraw/zinc/40/51/96/363405196.db2.gz YIWZMSAGEVDJGC-HTQZYQBOSA-N 1 0 203.238 -1.023 20 0 BAADRO CCOC(=O)CC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000233656507 363404635 /nfs/dbraw/zinc/40/46/35/363404635.db2.gz YIWZMSAGEVDJGC-YUMQZZPRSA-N 1 0 203.238 -1.023 20 0 BAADRO CCOC(=O)CC[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000233656514 363405010 /nfs/dbraw/zinc/40/50/10/363405010.db2.gz YIWZMSAGEVDJGC-OCAPTIKFSA-N 1 0 203.238 -1.023 20 0 BAADRO CCOC(=O)COCC[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000233668355 357731686 /nfs/dbraw/zinc/73/16/86/357731686.db2.gz ANVUZDYDXUYZIO-RKDXNWHRSA-N 1 0 233.264 -1.397 20 0 BAADRO CCOC(=O)COCC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000233668484 363404799 /nfs/dbraw/zinc/40/47/99/363404799.db2.gz ANVUZDYDXUYZIO-IUCAKERBSA-N 1 0 233.264 -1.397 20 0 BAADRO CCOC(=O)COCC[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000233668495 363404957 /nfs/dbraw/zinc/40/49/57/363404957.db2.gz ANVUZDYDXUYZIO-DTORHVGOSA-N 1 0 233.264 -1.397 20 0 BAADRO CCOC(=O)[C@H](C)N1C[C@H](O)[C@@H](O)C1 ZINC000233682470 363406254 /nfs/dbraw/zinc/40/62/54/363406254.db2.gz YCFRVPYRLSAVKB-FXQIFTODSA-N 1 0 203.238 -1.025 20 0 BAADRO CCOC[C@H](O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000233738481 388348536 /nfs/dbraw/zinc/34/85/36/388348536.db2.gz NNXABJTYDMCEHV-VGMNWLOBSA-N 1 0 205.254 -1.579 20 0 BAADRO CCOC[C@@H](O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000233779529 342881646 /nfs/dbraw/zinc/88/16/46/342881646.db2.gz NNXABJTYDMCEHV-CIUDSAMLSA-N 1 0 205.254 -1.579 20 0 BAADRO CCOC(=O)C[C@H](O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000233977091 342916910 /nfs/dbraw/zinc/91/69/10/342916910.db2.gz DFQTWAKBCQEKFF-CIUDSAMLSA-N 1 0 233.264 -1.662 20 0 BAADRO CCOC(=O)C[C@H](O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000233977098 342916775 /nfs/dbraw/zinc/91/67/75/342916775.db2.gz DFQTWAKBCQEKFF-XHNCKOQMSA-N 1 0 233.264 -1.662 20 0 BAADRO CCOC(=O)C[C@@H](O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000233999806 342924400 /nfs/dbraw/zinc/92/44/00/342924400.db2.gz DFQTWAKBCQEKFF-VGMNWLOBSA-N 1 0 233.264 -1.662 20 0 BAADRO CCOC(=O)C[C@@H](O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000233999816 342924472 /nfs/dbraw/zinc/92/44/72/342924472.db2.gz DFQTWAKBCQEKFF-HLTSFMKQSA-N 1 0 233.264 -1.662 20 0 BAADRO CN(C)C(=O)CCC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000234214765 343686387 /nfs/dbraw/zinc/68/63/87/343686387.db2.gz HLWINTLSDAYEDM-IUCAKERBSA-N 1 0 216.281 -1.108 20 0 BAADRO CN(C)C(=O)CC[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000234225805 385044948 /nfs/dbraw/zinc/04/49/48/385044948.db2.gz IAUQEQZHKLRZHL-HTQZYQBOSA-N 1 0 202.254 -1.498 20 0 BAADRO CN(C)C(=O)CC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000234225892 387308069 /nfs/dbraw/zinc/30/80/69/387308069.db2.gz IAUQEQZHKLRZHL-YUMQZZPRSA-N 1 0 202.254 -1.498 20 0 BAADRO CN(CCN1CC[NH2+]CC1)Cc1nnn(C)n1 ZINC000234265906 487789091 /nfs/dbraw/zinc/78/90/91/487789091.db2.gz BLRQXVMMYKOGTE-UHFFFAOYSA-N 1 0 239.327 -1.453 20 0 BAADRO Cn1cc(CN2CCN(C)C[C@@H]2C[NH3+])nn1 ZINC000234318820 388355740 /nfs/dbraw/zinc/35/57/40/388355740.db2.gz XMSSMSVAWYSYAQ-JTQLQIEISA-N 1 0 224.312 -1.110 20 0 BAADRO CN1CC[C@@H]([NH+]2C[C@H](O)[C@@H](O)C2)C1=O ZINC000234326039 343940925 /nfs/dbraw/zinc/94/09/25/343940925.db2.gz APIMNJKYQJHFBC-CSMHCCOUSA-N 1 0 200.238 -1.746 20 0 BAADRO CNC(=O)CCN(C)C(=O)CN1CC[NH2+]CC1 ZINC000234326431 487799860 /nfs/dbraw/zinc/79/98/60/487799860.db2.gz ACGISNZCAHYCOV-UHFFFAOYSA-N 1 0 242.323 -1.514 20 0 BAADRO CN1CCN(CCOCC[NH3+])CC1=O ZINC000234339914 323105440 /nfs/dbraw/zinc/10/54/40/323105440.db2.gz SCBZCBAERPRYQN-UHFFFAOYSA-N 1 0 201.270 -1.264 20 0 BAADRO CNC(=O)[C@@H](C)CN(C)C(=O)[C@@H]([NH3+])COC ZINC000234349044 357790414 /nfs/dbraw/zinc/79/04/14/357790414.db2.gz JHDBZQAGUFGNIU-YUMQZZPRSA-N 1 0 231.296 -1.199 20 0 BAADRO CNC(=O)[C@@H](C)CN(C)C(=O)[C@H]([NH3+])COC ZINC000234350958 357792122 /nfs/dbraw/zinc/79/21/22/357792122.db2.gz JHDBZQAGUFGNIU-JGVFFNPUSA-N 1 0 231.296 -1.199 20 0 BAADRO CN1CC[C@H]([NH+]2C[C@H](O)[C@@H](O)C2)C1=O ZINC000234356023 384075773 /nfs/dbraw/zinc/07/57/73/384075773.db2.gz APIMNJKYQJHFBC-FXQIFTODSA-N 1 0 200.238 -1.746 20 0 BAADRO CNC(=O)[C@H](C)CN(C)C(=O)[C@@H]([NH3+])COC ZINC000234368285 357792467 /nfs/dbraw/zinc/79/24/67/357792467.db2.gz JHDBZQAGUFGNIU-SFYZADRCSA-N 1 0 231.296 -1.199 20 0 BAADRO CNC(=O)[C@H](C)CN(C)C(=O)[C@H]([NH3+])COC ZINC000234369396 357793744 /nfs/dbraw/zinc/79/37/44/357793744.db2.gz JHDBZQAGUFGNIU-HTQZYQBOSA-N 1 0 231.296 -1.199 20 0 BAADRO COC(=O)CCC[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000234516353 384475177 /nfs/dbraw/zinc/47/51/77/384475177.db2.gz LVOGMFIDYVCANX-HTQZYQBOSA-N 1 0 203.238 -1.023 20 0 BAADRO COC(=O)CCC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000234516498 388356437 /nfs/dbraw/zinc/35/64/37/388356437.db2.gz LVOGMFIDYVCANX-YUMQZZPRSA-N 1 0 203.238 -1.023 20 0 BAADRO COC(=O)[C@@H](C1CC1)N1C[C@@H](O)[C@@H](O)C1 ZINC000234557401 363423953 /nfs/dbraw/zinc/42/39/53/363423953.db2.gz GOIHRJMXFURISB-HRDYMLBCSA-N 1 0 215.249 -1.025 20 0 BAADRO COC(=O)[C@H](C1CC1)N1C[C@@H](O)[C@@H](O)C1 ZINC000234559964 363424139 /nfs/dbraw/zinc/42/41/39/363424139.db2.gz GOIHRJMXFURISB-YIZRAAEISA-N 1 0 215.249 -1.025 20 0 BAADRO COC(=O)[C@@](C)(O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000234579840 344151659 /nfs/dbraw/zinc/15/16/59/344151659.db2.gz CGCFKEMSNKSIEY-ZKWXMUAHSA-N 1 0 219.237 -2.052 20 0 BAADRO COC(=O)[C@](C)(O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000234591495 384683749 /nfs/dbraw/zinc/68/37/49/384683749.db2.gz CGCFKEMSNKSIEY-ACLDMZEESA-N 1 0 219.237 -2.052 20 0 BAADRO COC(=O)[C@](C)(O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000234591530 384682167 /nfs/dbraw/zinc/68/21/67/384682167.db2.gz CGCFKEMSNKSIEY-BKPPORCPSA-N 1 0 219.237 -2.052 20 0 BAADRO COCC[NH2+]CC(=O)N1CC[C@@](C)(C(N)=O)C1 ZINC000234640580 487846853 /nfs/dbraw/zinc/84/68/53/487846853.db2.gz HXAUDVDPTVMTQX-LLVKDONJSA-N 1 0 243.307 -1.054 20 0 BAADRO COCC[NH2+]CC(=O)N1CC[C@](C)(C(N)=O)C1 ZINC000234640863 487846810 /nfs/dbraw/zinc/84/68/10/487846810.db2.gz HXAUDVDPTVMTQX-NSHDSACASA-N 1 0 243.307 -1.054 20 0 BAADRO COCCOC[C@@H](O)CN(C)C1C[NH2+]C1 ZINC000234678005 631660011 /nfs/dbraw/zinc/66/00/11/631660011.db2.gz BDSMKVQDXRYBMF-JTQLQIEISA-N 1 0 218.297 -1.086 20 0 BAADRO COCCOC[C@@H](O)CN(C)CC[NH3+] ZINC000234679609 643145143 /nfs/dbraw/zinc/14/51/43/643145143.db2.gz FOCCBFJMBRRXIT-VIFPVBQESA-N 1 0 206.286 -1.099 20 0 BAADRO COC[C@H]([NH3+])C(=O)NC[C@@H](O)C(F)(F)F ZINC000234729051 363428916 /nfs/dbraw/zinc/42/89/16/363428916.db2.gz YVOZVJHZPYNJKB-CRCLSJGQSA-N 1 0 230.186 -1.001 20 0 BAADRO COC[C@H]([NH3+])C(=O)NC[C@H](O)C(F)(F)F ZINC000234729540 135043394 /nfs/dbraw/zinc/04/33/94/135043394.db2.gz YVOZVJHZPYNJKB-WHFBIAKZSA-N 1 0 230.186 -1.001 20 0 BAADRO CO[C@H]1C[C@@H](NC(=O)C(=O)NCC[NH3+])C1(C)C ZINC000234766880 357827818 /nfs/dbraw/zinc/82/78/18/357827818.db2.gz HLKAQGAPGSVOKG-SFYZADRCSA-N 1 0 243.307 -1.009 20 0 BAADRO CO[C@H]1C[C@H](NC(=O)C(=O)NCC[NH3+])C1(C)C ZINC000234787504 536825393 /nfs/dbraw/zinc/82/53/93/536825393.db2.gz HLKAQGAPGSVOKG-YUMQZZPRSA-N 1 0 243.307 -1.009 20 0 BAADRO CO[C@@H]1C[C@H](NC(=O)C(=O)NCC[NH3+])C1(C)C ZINC000234848220 357838321 /nfs/dbraw/zinc/83/83/21/357838321.db2.gz HLKAQGAPGSVOKG-JGVFFNPUSA-N 1 0 243.307 -1.009 20 0 BAADRO C[C@@H]([NH3+])[C@@H]1CN(Cc2nnn(C)n2)CCO1 ZINC000235184408 487931320 /nfs/dbraw/zinc/93/13/20/487931320.db2.gz VWURVPJHCUCZCI-SFYZADRCSA-N 1 0 226.284 -1.242 20 0 BAADRO C[C@H](C(=O)N(C)C)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000235197619 384245173 /nfs/dbraw/zinc/24/51/73/384245173.db2.gz DJPMULLDIZIYFY-CSMHCCOUSA-N 1 0 202.254 -1.500 20 0 BAADRO C[C@H]1C(=O)NCCN1CCOCC[NH3+] ZINC000235289364 177059208 /nfs/dbraw/zinc/05/92/08/177059208.db2.gz RINPXGOKAUIIHA-QMMMGPOBSA-N 1 0 201.270 -1.218 20 0 BAADRO C[C@@]1(C(N)=O)CCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000235419666 487954611 /nfs/dbraw/zinc/95/46/11/487954611.db2.gz WLGMARVWXSVTRG-GZMMTYOYSA-N 1 0 241.291 -1.301 20 0 BAADRO C[C@@]1(C(N)=O)CCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000235421856 487954589 /nfs/dbraw/zinc/95/45/89/487954589.db2.gz WLGMARVWXSVTRG-LDYMZIIASA-N 1 0 241.291 -1.301 20 0 BAADRO C[C@H]([NH3+])[C@H]1CN(Cc2nnn(C)n2)CCO1 ZINC000235512253 487975418 /nfs/dbraw/zinc/97/54/18/487975418.db2.gz VWURVPJHCUCZCI-JGVFFNPUSA-N 1 0 226.284 -1.242 20 0 BAADRO C[C@H]([NH3+])[C@@H]1CN(Cc2nnn(C)n2)CCO1 ZINC000235513344 487975500 /nfs/dbraw/zinc/97/55/00/487975500.db2.gz VWURVPJHCUCZCI-YUMQZZPRSA-N 1 0 226.284 -1.242 20 0 BAADRO C[C@@H](C(=O)N(C)C)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000235513712 344929446 /nfs/dbraw/zinc/92/94/46/344929446.db2.gz DJPMULLDIZIYFY-FXQIFTODSA-N 1 0 202.254 -1.500 20 0 BAADRO C[C@@H]1C(=O)NCCN1CCOCC[NH3+] ZINC000235602184 176046676 /nfs/dbraw/zinc/04/66/76/176046676.db2.gz RINPXGOKAUIIHA-MRVPVSSYSA-N 1 0 201.270 -1.218 20 0 BAADRO C[C@]1(C(N)=O)CCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000235730406 491069672 /nfs/dbraw/zinc/06/96/72/491069672.db2.gz WLGMARVWXSVTRG-KWQFWETISA-N 1 0 241.291 -1.301 20 0 BAADRO C[C@]1(C(N)=O)CCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000235731336 488011793 /nfs/dbraw/zinc/01/17/93/488011793.db2.gz WLGMARVWXSVTRG-KCJUWKMLSA-N 1 0 241.291 -1.301 20 0 BAADRO Cc1cc(N2C[C@@H](O)[C@@H](O)C2)nc(N)[nH+]1 ZINC000235859963 632842563 /nfs/dbraw/zinc/84/25/63/632842563.db2.gz RWFGWUSDZWHHNR-KNVOCYPGSA-N 1 0 210.237 -1.091 20 0 BAADRO Cn1nnc(CN2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000236147494 343079803 /nfs/dbraw/zinc/07/98/03/343079803.db2.gz NNXVRKNGSZURAS-OCAPTIKFSA-N 1 0 208.269 -1.139 20 0 BAADRO Cn1nnc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000236147518 537911474 /nfs/dbraw/zinc/91/14/74/537911474.db2.gz NNXVRKNGSZURAS-YUMQZZPRSA-N 1 0 208.269 -1.139 20 0 BAADRO Cn1nnc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000236147867 537911546 /nfs/dbraw/zinc/91/15/46/537911546.db2.gz NNXVRKNGSZURAS-HTQZYQBOSA-N 1 0 208.269 -1.139 20 0 BAADRO [NH3+]CCOCCN1CCCNC(=O)C1 ZINC000236173176 711672334 /nfs/dbraw/zinc/67/23/34/711672334.db2.gz FYBJULFLMBAAOO-UHFFFAOYSA-N 1 0 201.270 -1.216 20 0 BAADRO [NH3+]CCOCCN1CCN2C(=O)NC[C@H]2C1 ZINC000236177906 632891344 /nfs/dbraw/zinc/89/13/44/632891344.db2.gz MGGLPZHYPKNXSQ-VIFPVBQESA-N 1 0 228.296 -1.329 20 0 BAADRO [NH3+]CCOCCN1CCN2C(=O)NC[C@@H]2C1 ZINC000236178095 188318950 /nfs/dbraw/zinc/31/89/50/188318950.db2.gz MGGLPZHYPKNXSQ-SECBINFHSA-N 1 0 228.296 -1.329 20 0 BAADRO O=C(Cn1cccn1)NC[C@@H]1COCC[NH2+]1 ZINC000236395954 488058816 /nfs/dbraw/zinc/05/88/16/488058816.db2.gz VXIFZCQGZPHWPX-SECBINFHSA-N 1 0 224.264 -1.012 20 0 BAADRO O=C(Cn1cccn1)NC[C@H]1COCC[NH2+]1 ZINC000236395965 488058828 /nfs/dbraw/zinc/05/88/28/488058828.db2.gz VXIFZCQGZPHWPX-VIFPVBQESA-N 1 0 224.264 -1.012 20 0 BAADRO O=C(CN1CCCC1=O)NC[C@@H]1COCC[NH2+]1 ZINC000236402600 488058776 /nfs/dbraw/zinc/05/87/76/488058776.db2.gz KOKPWVMEIUDUCT-SECBINFHSA-N 1 0 241.291 -1.287 20 0 BAADRO O=C(CN1CCCC1=O)NC[C@H]1COCC[NH2+]1 ZINC000236402616 488059065 /nfs/dbraw/zinc/05/90/65/488059065.db2.gz KOKPWVMEIUDUCT-VIFPVBQESA-N 1 0 241.291 -1.287 20 0 BAADRO O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1CSC(=O)N1 ZINC000236404048 711761768 /nfs/dbraw/zinc/76/17/68/711761768.db2.gz GQTWHSHVXKTPDL-RQJHMYQMSA-N 1 0 245.304 -1.084 20 0 BAADRO O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1CSC(=O)N1 ZINC000236404061 632933757 /nfs/dbraw/zinc/93/37/57/632933757.db2.gz GQTWHSHVXKTPDL-BQBZGAKWSA-N 1 0 245.304 -1.084 20 0 BAADRO O=c1ccccn1CC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000236589629 346253699 /nfs/dbraw/zinc/25/36/99/346253699.db2.gz XMORODRIPYDMLT-UWVGGRQHSA-N 1 0 224.260 -1.114 20 0 BAADRO CC(C)[C@@H](NC(=O)C[NH3+])C(=O)N1CCOCC1 ZINC000236601723 388380436 /nfs/dbraw/zinc/38/04/36/388380436.db2.gz MKEXGPYHTHPHNW-SNVBAGLBSA-N 1 0 243.307 -1.055 20 0 BAADRO CC(C)([NH3+])CNC(=O)CN1CCNCC1=O ZINC000236603493 343103449 /nfs/dbraw/zinc/10/34/49/343103449.db2.gz CNQHAQGIFCHTPT-UHFFFAOYSA-N 1 0 228.296 -1.728 20 0 BAADRO O=C1NCCCC[C@@H]1[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000236605035 388380662 /nfs/dbraw/zinc/38/06/62/388380662.db2.gz MMRJHFMSRUYZCZ-CIUDSAMLSA-N 1 0 214.265 -1.308 20 0 BAADRO CC(C)[C@H](NC(=O)C[NH3+])C(=O)N1CCOCC1 ZINC000236684847 259677936 /nfs/dbraw/zinc/67/79/36/259677936.db2.gz MKEXGPYHTHPHNW-JTQLQIEISA-N 1 0 243.307 -1.055 20 0 BAADRO CCC[NH2+]CCNC(=O)CS(=O)(=O)NC ZINC000236764643 169258037 /nfs/dbraw/zinc/25/80/37/169258037.db2.gz OYICNNLALCCWRU-UHFFFAOYSA-N 1 0 237.325 -1.349 20 0 BAADRO CC(C)N1C(=O)C[C@@H](NC(=O)CC[NH3+])C1=O ZINC000236811226 188190885 /nfs/dbraw/zinc/19/08/85/188190885.db2.gz FRXUHSJJWPINTQ-SSDOTTSWSA-N 1 0 227.264 -1.013 20 0 BAADRO CC(C)N1C(=O)C[C@@H](NC(=O)C[NH3+])C1=O ZINC000236811268 187289724 /nfs/dbraw/zinc/28/97/24/187289724.db2.gz FGQWSTQSJJFDJG-ZCFIWIBFSA-N 1 0 213.237 -1.403 20 0 BAADRO CC(C)N1C(=O)C[C@H](NC(=O)CC[NH3+])C1=O ZINC000236811517 191144991 /nfs/dbraw/zinc/14/49/91/191144991.db2.gz FRXUHSJJWPINTQ-ZETCQYMHSA-N 1 0 227.264 -1.013 20 0 BAADRO CC(C)N1C(=O)C[C@H](NC(=O)C[NH3+])C1=O ZINC000236811547 188148925 /nfs/dbraw/zinc/14/89/25/188148925.db2.gz FGQWSTQSJJFDJG-LURJTMIESA-N 1 0 213.237 -1.403 20 0 BAADRO CC(=O)N1CCOC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000236817224 387908985 /nfs/dbraw/zinc/90/89/85/387908985.db2.gz BNTPEUZBEOPBNB-SNVBAGLBSA-N 1 0 241.291 -1.335 20 0 BAADRO CC(=O)N1CCOC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000236817251 387908680 /nfs/dbraw/zinc/90/86/80/387908680.db2.gz BNTPEUZBEOPBNB-JTQLQIEISA-N 1 0 241.291 -1.335 20 0 BAADRO CC(=O)N1CSC[C@@H]1C(=O)NCC[NH3+] ZINC000236819058 636733703 /nfs/dbraw/zinc/73/37/03/636733703.db2.gz RGCHEMNEAKOKJG-SSDOTTSWSA-N 1 0 217.294 -1.017 20 0 BAADRO CC(=O)N1CSC[C@H]1C(=O)NCC[NH3+] ZINC000236820520 635347586 /nfs/dbraw/zinc/34/75/86/635347586.db2.gz RGCHEMNEAKOKJG-ZETCQYMHSA-N 1 0 217.294 -1.017 20 0 BAADRO CCN1CCN(CC(=O)NCC[NH3+])C(=O)C1=O ZINC000236843583 344407235 /nfs/dbraw/zinc/40/72/35/344407235.db2.gz NNMCOUDZWGALMJ-UHFFFAOYSA-N 1 0 242.279 -2.248 20 0 BAADRO CC[N@H+](C)CCNC(=O)CN1CCNCC1=O ZINC000236868112 388384530 /nfs/dbraw/zinc/38/45/30/388384530.db2.gz KQZUMNPKFFKOJJ-UHFFFAOYSA-N 1 0 242.323 -1.514 20 0 BAADRO CCN1CCO[C@@H](C(=O)NC2C[NH2+]C2)C1 ZINC000236898299 387911644 /nfs/dbraw/zinc/91/16/44/387911644.db2.gz VCAYOQILMQOKKV-SECBINFHSA-N 1 0 213.281 -1.205 20 0 BAADRO CCN1CCO[C@H](C(=O)NC2C[NH2+]C2)C1 ZINC000236900051 387911576 /nfs/dbraw/zinc/91/15/76/387911576.db2.gz VCAYOQILMQOKKV-VIFPVBQESA-N 1 0 213.281 -1.205 20 0 BAADRO CC[NH2+]CCNC(=O)CN1CCCS1(=O)=O ZINC000236906254 170114437 /nfs/dbraw/zinc/11/44/37/170114437.db2.gz NNKRVKYTYPFOPH-UHFFFAOYSA-N 1 0 249.336 -1.252 20 0 BAADRO CC[NH2+]CCNC(=O)CN1CCNCC1=O ZINC000236906476 343114627 /nfs/dbraw/zinc/11/46/27/343114627.db2.gz YAXVUQNALUNFLF-UHFFFAOYSA-N 1 0 228.296 -1.856 20 0 BAADRO CCC[NH2+]CCNC(=O)CN1CCNCC1=O ZINC000236918817 169258384 /nfs/dbraw/zinc/25/83/84/169258384.db2.gz JUMYULSDDWNGBP-UHFFFAOYSA-N 1 0 242.323 -1.466 20 0 BAADRO CCN(CC)S(=O)(=O)CCNC(=O)C[NH3+] ZINC000236951363 388388051 /nfs/dbraw/zinc/38/80/51/388388051.db2.gz QVCJOPRNAUVSSW-UHFFFAOYSA-N 1 0 237.325 -1.267 20 0 BAADRO CCS(=O)(=O)NCCNC(=O)C[NH2+]C1CC1 ZINC000237048222 343122041 /nfs/dbraw/zinc/12/20/41/343122041.db2.gz LWXDJMRSLZBRNK-UHFFFAOYSA-N 1 0 249.336 -1.206 20 0 BAADRO CCS(=O)(=O)NCCNC(=O)[C@H]1CCC[NH2+]1 ZINC000237049706 170617743 /nfs/dbraw/zinc/61/77/43/170617743.db2.gz GYCDIQFCHNLVBQ-MRVPVSSYSA-N 1 0 249.336 -1.206 20 0 BAADRO C[NH2+]CCNC(=O)Cn1nc2ccccn2c1=O ZINC000237057000 173355269 /nfs/dbraw/zinc/35/52/69/173355269.db2.gz AWOXILNNMPNWRX-UHFFFAOYSA-N 1 0 249.274 -1.168 20 0 BAADRO CN(CC(=O)NCC[NH2+]C1CC1)S(C)(=O)=O ZINC000237058977 488102098 /nfs/dbraw/zinc/10/20/98/488102098.db2.gz LNIOMPFHQUIKTH-UHFFFAOYSA-N 1 0 249.336 -1.254 20 0 BAADRO C[NH2+]CCNC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000237066453 488103285 /nfs/dbraw/zinc/10/32/85/488103285.db2.gz FLHVFTDWELRROS-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO C[NH2+]CCNC(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC000237066620 173355112 /nfs/dbraw/zinc/35/51/12/173355112.db2.gz KQYAIYOYNZNCFA-VIFPVBQESA-N 1 0 243.307 -1.183 20 0 BAADRO CN(CC(=O)N[C@@H]1CCC[NH2+]C1)S(C)(=O)=O ZINC000237070044 383858693 /nfs/dbraw/zinc/85/86/93/383858693.db2.gz ZLVAMIWCPYIHCR-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO COC(=O)[C@@H](C)CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000237072077 383859690 /nfs/dbraw/zinc/85/96/90/383859690.db2.gz FGUCBPZRYCWVKA-YUMQZZPRSA-N 1 0 230.264 -1.100 20 0 BAADRO CN(CC(=O)N[C@H]1CCC[NH2+]C1)S(C)(=O)=O ZINC000237075146 172612097 /nfs/dbraw/zinc/61/20/97/172612097.db2.gz ZLVAMIWCPYIHCR-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO C[NH2+]CCNC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000237078950 488101247 /nfs/dbraw/zinc/10/12/47/488101247.db2.gz FLHVFTDWELRROS-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO C[NH2+]CCNC(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC000237079062 173354873 /nfs/dbraw/zinc/35/48/73/173354873.db2.gz KQYAIYOYNZNCFA-SECBINFHSA-N 1 0 243.307 -1.183 20 0 BAADRO COC(=O)[C@H](C)CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000237104676 383888931 /nfs/dbraw/zinc/88/89/31/383888931.db2.gz FGUCBPZRYCWVKA-SFYZADRCSA-N 1 0 230.264 -1.100 20 0 BAADRO C[NH2+]C[C@H](C)CNC(=O)CN1CCNCC1=O ZINC000237116189 343126564 /nfs/dbraw/zinc/12/65/64/343126564.db2.gz IDSLHCSRVOECNX-VIFPVBQESA-N 1 0 242.323 -1.610 20 0 BAADRO COCC(=O)N[C@H](C(=O)NCC[NH3+])C(C)C ZINC000237147391 174055927 /nfs/dbraw/zinc/05/59/27/174055927.db2.gz RSZJIPKTGICGJF-VIFPVBQESA-N 1 0 231.296 -1.152 20 0 BAADRO COCCN(C)S(=O)(=O)N1CC[C@@H]([NH3+])C1 ZINC000237263601 174283054 /nfs/dbraw/zinc/28/30/54/174283054.db2.gz VEFQTJVPCAYSTC-MRVPVSSYSA-N 1 0 237.325 -1.158 20 0 BAADRO COCCN(C)S(=O)(=O)NCCC[NH3+] ZINC000237263915 174282877 /nfs/dbraw/zinc/28/28/77/174282877.db2.gz AORJDOZRTGRWMG-UHFFFAOYSA-N 1 0 225.314 -1.252 20 0 BAADRO C[NH2+]CCN(C)C(=O)CN(C)S(C)(=O)=O ZINC000237281297 173351629 /nfs/dbraw/zinc/35/16/29/173351629.db2.gz IGOMTMNFKAWKGL-UHFFFAOYSA-N 1 0 237.325 -1.444 20 0 BAADRO C[NH2+]CCN(C)C(=O)CN1CCCS1(=O)=O ZINC000237281743 173351393 /nfs/dbraw/zinc/35/13/93/173351393.db2.gz QNGABOLUEMDGHO-UHFFFAOYSA-N 1 0 249.336 -1.300 20 0 BAADRO C[NH2+]CCN(C)C(=O)CN1CCNCC1=O ZINC000237281873 343132809 /nfs/dbraw/zinc/13/28/09/343132809.db2.gz VGMVQFUKXKKRAB-UHFFFAOYSA-N 1 0 228.296 -1.904 20 0 BAADRO C[NH2+]C[C@@H](C)CNC(=O)CN1CCNCC1=O ZINC000237288505 343133001 /nfs/dbraw/zinc/13/30/01/343133001.db2.gz IDSLHCSRVOECNX-SECBINFHSA-N 1 0 242.323 -1.610 20 0 BAADRO CNS(=O)(=O)CC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000237320590 384152599 /nfs/dbraw/zinc/15/25/99/384152599.db2.gz MWKYRBYXDPKNFG-MRVPVSSYSA-N 1 0 249.336 -1.125 20 0 BAADRO CNS(=O)(=O)CC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000237320942 388392761 /nfs/dbraw/zinc/39/27/61/388392761.db2.gz OUDHXZAQOYVXCO-ZETCQYMHSA-N 1 0 235.309 -1.644 20 0 BAADRO CNS(=O)(=O)CC(=O)NC1(C[NH3+])CCCC1 ZINC000237321104 384153368 /nfs/dbraw/zinc/15/33/68/384153368.db2.gz VWKLZRJACZAJLQ-UHFFFAOYSA-N 1 0 249.336 -1.077 20 0 BAADRO CNS(=O)(=O)CC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000237321255 488148378 /nfs/dbraw/zinc/14/83/78/488148378.db2.gz JVHBAJIFOXQXMA-QMMMGPOBSA-N 1 0 249.336 -1.206 20 0 BAADRO CNS(=O)(=O)CC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000237321324 488148438 /nfs/dbraw/zinc/14/84/38/488148438.db2.gz JVHBAJIFOXQXMA-MRVPVSSYSA-N 1 0 249.336 -1.206 20 0 BAADRO C[C@@H](C[NH3+])N(C)C(=O)CN(C)S(C)(=O)=O ZINC000237422438 388394805 /nfs/dbraw/zinc/39/48/05/388394805.db2.gz UOWIPOZAXLOOGS-ZETCQYMHSA-N 1 0 237.325 -1.317 20 0 BAADRO C[C@@H](C[NH3+])N(C)C(=O)CN1CCCS1(=O)=O ZINC000237423018 175709054 /nfs/dbraw/zinc/70/90/54/175709054.db2.gz MWSGRZSMKSHDEH-QMMMGPOBSA-N 1 0 249.336 -1.173 20 0 BAADRO C[C@@H](C[NH3+])N(C)C(=O)CN1CCNCC1=O ZINC000237423070 343138657 /nfs/dbraw/zinc/13/86/57/343138657.db2.gz DIOHGAZXOSDPSX-QMMMGPOBSA-N 1 0 228.296 -1.776 20 0 BAADRO C[C@H](C[NH3+])N(C)C(=O)CN(C)S(C)(=O)=O ZINC000237605341 388396945 /nfs/dbraw/zinc/39/69/45/388396945.db2.gz UOWIPOZAXLOOGS-SSDOTTSWSA-N 1 0 237.325 -1.317 20 0 BAADRO C[C@H](C[NH3+])N(C)C(=O)CN1CCCS1(=O)=O ZINC000237605782 176659960 /nfs/dbraw/zinc/65/99/60/176659960.db2.gz MWSGRZSMKSHDEH-MRVPVSSYSA-N 1 0 249.336 -1.173 20 0 BAADRO C[C@H](C[NH3+])N(C)C(=O)CN1CCNCC1=O ZINC000237605817 343157115 /nfs/dbraw/zinc/15/71/15/343157115.db2.gz DIOHGAZXOSDPSX-MRVPVSSYSA-N 1 0 228.296 -1.776 20 0 BAADRO C[C@H]1CN(C(=O)CN(C)S(C)(=O)=O)CC[NH2+]1 ZINC000237619947 177216650 /nfs/dbraw/zinc/21/66/50/177216650.db2.gz QFXJJALAFGUWRX-QMMMGPOBSA-N 1 0 249.336 -1.302 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000237620498 177222108 /nfs/dbraw/zinc/22/21/08/177222108.db2.gz QNLVGVRFDYDTQN-JGVFFNPUSA-N 1 0 249.336 -1.256 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000237621033 177223813 /nfs/dbraw/zinc/22/38/13/177223813.db2.gz QNLVGVRFDYDTQN-YUMQZZPRSA-N 1 0 249.336 -1.256 20 0 BAADRO C[C@H]1CN(C(=O)[C@@H]2COCCN2)CC[NH2+]1 ZINC000237622893 177222934 /nfs/dbraw/zinc/22/29/34/177222934.db2.gz FEARDJVKLBUWJY-IUCAKERBSA-N 1 0 213.281 -1.205 20 0 BAADRO C[C@H]1CN(C(=O)[C@H]2COCCN2)CC[NH2+]1 ZINC000237631369 177225146 /nfs/dbraw/zinc/22/51/46/177225146.db2.gz FEARDJVKLBUWJY-DTWKUNHWSA-N 1 0 213.281 -1.205 20 0 BAADRO [NH3+]CCCNC(=O)Cn1nc2ccccn2c1=O ZINC000237780358 181380925 /nfs/dbraw/zinc/38/09/25/181380925.db2.gz PJDVCXKCDOYPCG-UHFFFAOYSA-N 1 0 249.274 -1.039 20 0 BAADRO [NH3+]C[C@H](NC(=O)CN1CCNCC1=O)C1CC1 ZINC000237867345 343214466 /nfs/dbraw/zinc/21/44/66/343214466.db2.gz OMCMSRBQXAIPAU-VIFPVBQESA-N 1 0 240.307 -1.728 20 0 BAADRO [NH3+]CCNC(=O)CCn1nc2ccccn2c1=O ZINC000237871926 181392947 /nfs/dbraw/zinc/39/29/47/181392947.db2.gz QPCHYGAOZSWXGF-UHFFFAOYSA-N 1 0 249.274 -1.039 20 0 BAADRO [NH3+]CCNC(=O)Cn1nc2ccccn2c1=O ZINC000237880031 350756002 /nfs/dbraw/zinc/75/60/02/350756002.db2.gz VYVQMXDOQCYOKM-UHFFFAOYSA-N 1 0 235.247 -1.429 20 0 BAADRO [NH3+]CCNC(=O)Cn1nnc2ccccc2c1=O ZINC000237880156 181394737 /nfs/dbraw/zinc/39/47/37/181394737.db2.gz RWPQREIFWLMZKJ-UHFFFAOYSA-N 1 0 247.258 -1.134 20 0 BAADRO [NH3+]CC(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000237969109 181352207 /nfs/dbraw/zinc/35/22/07/181352207.db2.gz ZCZMDOZPLGNHHV-UHFFFAOYSA-N 1 0 249.336 -1.219 20 0 BAADRO [NH3+][C@@H](CNC(=O)CN1CCNCC1=O)C1CC1 ZINC000237981355 343220460 /nfs/dbraw/zinc/22/04/60/343220460.db2.gz VZUIQJYXIALDBF-VIFPVBQESA-N 1 0 240.307 -1.728 20 0 BAADRO [NH3+]C[C@@H](NC(=O)CN1CCNCC1=O)C1CC1 ZINC000238063003 343239398 /nfs/dbraw/zinc/23/93/98/343239398.db2.gz OMCMSRBQXAIPAU-SECBINFHSA-N 1 0 240.307 -1.728 20 0 BAADRO O=C(CN1CCNCC1=O)N1CCC[NH2+]CC1 ZINC000238079609 343240336 /nfs/dbraw/zinc/24/03/36/343240336.db2.gz GGEVEIKXKWBCRA-UHFFFAOYSA-N 1 0 240.307 -1.760 20 0 BAADRO O=C(CN1CCNCC1=O)N1CC[NH2+]CC1 ZINC000238080378 343240394 /nfs/dbraw/zinc/24/03/94/343240394.db2.gz RBMDBRMBQFWQLW-UHFFFAOYSA-N 1 0 226.280 -2.150 20 0 BAADRO O=C(C[NH2+]C[C@@H]1CCCO1)N1CCNC(=O)C1 ZINC000238100006 384494068 /nfs/dbraw/zinc/49/40/68/384494068.db2.gz XAESDZJVBYTBOG-VIFPVBQESA-N 1 0 241.291 -1.287 20 0 BAADRO O=C(C[NH2+]C[C@H]1CCCO1)N1CCNC(=O)C1 ZINC000238100025 384495925 /nfs/dbraw/zinc/49/59/25/384495925.db2.gz XAESDZJVBYTBOG-SECBINFHSA-N 1 0 241.291 -1.287 20 0 BAADRO O=C(NCC[NH2+]C1CC1)[C@@H]1COCCN1 ZINC000238101953 182188901 /nfs/dbraw/zinc/18/89/01/182188901.db2.gz ZBTRHEHAOZXCIO-VIFPVBQESA-N 1 0 213.281 -1.157 20 0 BAADRO O=C(NC1C[NH2+]C1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000238102917 182119505 /nfs/dbraw/zinc/11/95/05/182119505.db2.gz VOKTWJOHFRRVCF-SSDOTTSWSA-N 1 0 249.274 -1.149 20 0 BAADRO O=C(NCC[NH2+]C1CC1)[C@H]1COCCN1 ZINC000238103914 182188239 /nfs/dbraw/zinc/18/82/39/182188239.db2.gz ZBTRHEHAOZXCIO-SECBINFHSA-N 1 0 213.281 -1.157 20 0 BAADRO O=C(CN1CCNCC1=O)NCC[NH2+]C1CC1 ZINC000238106915 487562732 /nfs/dbraw/zinc/56/27/32/487562732.db2.gz NMBNJAQNNSADPV-UHFFFAOYSA-N 1 0 240.307 -1.714 20 0 BAADRO O=C(NC1C[NH2+]C1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000238108177 182119512 /nfs/dbraw/zinc/11/95/12/182119512.db2.gz VOKTWJOHFRRVCF-ZETCQYMHSA-N 1 0 249.274 -1.149 20 0 BAADRO O=C(CN1CCNCC1=O)N[C@@H]1CCC[NH2+]C1 ZINC000238113394 343250641 /nfs/dbraw/zinc/25/06/41/343250641.db2.gz XLWFIIADADAFEX-SECBINFHSA-N 1 0 240.307 -1.714 20 0 BAADRO O=C(CN1CCNCC1=O)N[C@H]1CCC[NH2+]C1 ZINC000238115310 343250480 /nfs/dbraw/zinc/25/04/80/343250480.db2.gz XLWFIIADADAFEX-VIFPVBQESA-N 1 0 240.307 -1.714 20 0 BAADRO CN(C)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000238339050 487572754 /nfs/dbraw/zinc/57/27/54/487572754.db2.gz KUFQRRJWRATKRY-ZETCQYMHSA-N 1 0 208.283 -1.134 20 0 BAADRO CN(C)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000238339106 488078227 /nfs/dbraw/zinc/07/82/27/488078227.db2.gz KUFQRRJWRATKRY-SSDOTTSWSA-N 1 0 208.283 -1.134 20 0 BAADRO COC(=O)C[C@H]1C(=O)NCCN1CC[NH3+] ZINC000238346031 343255749 /nfs/dbraw/zinc/25/57/49/343255749.db2.gz UTZHLEFVBYZOPQ-ZETCQYMHSA-N 1 0 215.253 -1.691 20 0 BAADRO COC(=O)C[C@@H]1C(=O)NCCN1CC[NH3+] ZINC000238374090 343255742 /nfs/dbraw/zinc/25/57/42/343255742.db2.gz UTZHLEFVBYZOPQ-SSDOTTSWSA-N 1 0 215.253 -1.691 20 0 BAADRO CN1CCN(C(=O)CNC(N)=O)CC1 ZINC000242440082 388722751 /nfs/dbraw/zinc/72/27/51/388722751.db2.gz BMDBTWIRIFNKEL-UHFFFAOYSA-N 1 0 200.242 -1.571 20 0 BAADRO O=C(N1CC[NH2+]CC1)N1CCN(CCO)CC1 ZINC000243758863 643042994 /nfs/dbraw/zinc/04/29/94/643042994.db2.gz QAPHCLVGICKUQW-UHFFFAOYSA-N 1 0 242.323 -1.379 20 0 BAADRO CC[C@@H](CO)NC(=O)NCCN1CC[NH2+]CC1 ZINC000243857522 372720684 /nfs/dbraw/zinc/72/06/84/372720684.db2.gz RHFPCIQOJNYFMB-JTQLQIEISA-N 1 0 244.339 -1.038 20 0 BAADRO CNC(=O)[C@@H](C)C[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC000246237847 173294111 /nfs/dbraw/zinc/29/41/11/173294111.db2.gz RCGAGEJGSDUTCZ-NKWVEPMBSA-N 1 0 244.295 -1.116 20 0 BAADRO CNC(=O)[C@H](C)C[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC000246237851 173301546 /nfs/dbraw/zinc/30/15/46/173301546.db2.gz RCGAGEJGSDUTCZ-RNFRBKRXSA-N 1 0 244.295 -1.116 20 0 BAADRO C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000246509094 385172891 /nfs/dbraw/zinc/17/28/91/385172891.db2.gz QKLGVPDKWCPRGV-NXEZZACHSA-N 1 0 245.323 -1.515 20 0 BAADRO C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000246509107 385173705 /nfs/dbraw/zinc/17/37/05/385173705.db2.gz QKLGVPDKWCPRGV-VHSXEESVSA-N 1 0 245.323 -1.515 20 0 BAADRO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CO)C1 ZINC000246738232 385227104 /nfs/dbraw/zinc/22/71/04/385227104.db2.gz WMAIPFQBLLYMGX-DTWKUNHWSA-N 1 0 244.291 -1.022 20 0 BAADRO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CO)C1 ZINC000246738241 385227365 /nfs/dbraw/zinc/22/73/65/385227365.db2.gz WMAIPFQBLLYMGX-RKDXNWHRSA-N 1 0 244.291 -1.022 20 0 BAADRO COC[C@@H](C)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000248168093 345064673 /nfs/dbraw/zinc/06/46/73/345064673.db2.gz UEIHZYBINSNXKX-BDAKNGLRSA-N 1 0 241.291 -1.336 20 0 BAADRO COC[C@H](C)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000248168094 345064533 /nfs/dbraw/zinc/06/45/33/345064533.db2.gz UEIHZYBINSNXKX-IUCAKERBSA-N 1 0 241.291 -1.336 20 0 BAADRO C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000248637561 387056346 /nfs/dbraw/zinc/05/63/46/387056346.db2.gz AJYCORZYMDGFDJ-RNJXMRFFSA-N 1 0 202.254 -1.058 20 0 BAADRO C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000248637563 387056989 /nfs/dbraw/zinc/05/69/89/387056989.db2.gz AJYCORZYMDGFDJ-XLPZGREQSA-N 1 0 202.254 -1.058 20 0 BAADRO C[C@@H](O)C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000248656976 387317930 /nfs/dbraw/zinc/31/79/30/387317930.db2.gz SBYCDTZWYALJHJ-HTQZYQBOSA-N 1 0 222.310 -1.009 20 0 BAADRO C[C@H](O)C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000248656979 387318127 /nfs/dbraw/zinc/31/81/27/387318127.db2.gz SBYCDTZWYALJHJ-JGVFFNPUSA-N 1 0 222.310 -1.009 20 0 BAADRO CNC(=O)[C@H]1CN(C[C@@H](C)O)CCO1 ZINC000248657231 387318141 /nfs/dbraw/zinc/31/81/41/387318141.db2.gz SFSJOVXZCQJNFC-HTQZYQBOSA-N 1 0 202.254 -1.186 20 0 BAADRO CNC(=O)[C@H]1CN(C[C@H](C)O)CCO1 ZINC000248657234 387319038 /nfs/dbraw/zinc/31/90/38/387319038.db2.gz SFSJOVXZCQJNFC-JGVFFNPUSA-N 1 0 202.254 -1.186 20 0 BAADRO C[C@@H](C(N)=O)N1C[C@@H](C)O[C@H](CO)C1 ZINC000248848212 387238587 /nfs/dbraw/zinc/23/85/87/387238587.db2.gz PMOOGIYBWHSKNQ-CSMHCCOUSA-N 1 0 202.254 -1.058 20 0 BAADRO C[C@H]1CC[N@H+](CC(=O)NC(N)=O)[C@H]1CO ZINC000248912495 387480960 /nfs/dbraw/zinc/48/09/60/387480960.db2.gz JFNYSONADNGWME-BQBZGAKWSA-N 1 0 215.253 -1.116 20 0 BAADRO C[C@@H]1CC[N@H+](CC(=O)NC(N)=O)[C@H]1CO ZINC000248912499 388698645 /nfs/dbraw/zinc/69/86/45/388698645.db2.gz JFNYSONADNGWME-RQJHMYQMSA-N 1 0 215.253 -1.116 20 0 BAADRO COC(=O)CNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H]1CO ZINC000248942195 384429923 /nfs/dbraw/zinc/42/99/23/384429923.db2.gz OEBDTPOGUFVFBX-BDAKNGLRSA-N 1 0 244.291 -1.022 20 0 BAADRO COC(=O)CNC(=O)C[N@@H+]1CC[C@H](C)[C@@H]1CO ZINC000248942196 384430443 /nfs/dbraw/zinc/43/04/43/384430443.db2.gz OEBDTPOGUFVFBX-IUCAKERBSA-N 1 0 244.291 -1.022 20 0 BAADRO CNC(=O)C[N@H+](C[C@@H](C)O)[C@H](C)CO ZINC000248972064 173273439 /nfs/dbraw/zinc/27/34/39/173273439.db2.gz SXURJGJSGGJRJJ-HTQZYQBOSA-N 1 0 204.270 -1.204 20 0 BAADRO CNC(=O)C[N@H+](C[C@H](C)O)[C@H](C)CO ZINC000248972067 173273031 /nfs/dbraw/zinc/27/30/31/173273031.db2.gz SXURJGJSGGJRJJ-SFYZADRCSA-N 1 0 204.270 -1.204 20 0 BAADRO COC(=O)CC[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000249298708 135042660 /nfs/dbraw/zinc/04/26/60/135042660.db2.gz NMPXPXZYVYGQMZ-JGVFFNPUSA-N 1 0 203.238 -1.023 20 0 BAADRO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000249378572 135038124 /nfs/dbraw/zinc/03/81/24/135038124.db2.gz ZCUNYMBDYYRDMD-HRDYMLBCSA-N 1 0 216.281 -1.109 20 0 BAADRO COC(=O)CNC(=O)CN1CC[C@@H](O)[C@@H](C)C1 ZINC000249540637 386837990 /nfs/dbraw/zinc/83/79/90/386837990.db2.gz DUOQTWGNRFSRRY-DTWKUNHWSA-N 1 0 244.291 -1.022 20 0 BAADRO C[C@H]1CCN(CC(=O)NC(N)=O)[C@@H](C(N)=O)C1 ZINC000249573302 388728157 /nfs/dbraw/zinc/72/81/57/388728157.db2.gz OVJPKRUNMFDMSM-NKWVEPMBSA-N 1 0 242.279 -1.233 20 0 BAADRO C[C@@H]1CCN(CC(=O)NC(N)=O)[C@@H](C(N)=O)C1 ZINC000249573303 388728044 /nfs/dbraw/zinc/72/80/44/388728044.db2.gz OVJPKRUNMFDMSM-RNFRBKRXSA-N 1 0 242.279 -1.233 20 0 BAADRO C[C@H](C(=O)NC(N)=O)[N@@H+](C)C[C@H](C)O ZINC000249725595 135043314 /nfs/dbraw/zinc/04/33/14/135043314.db2.gz LXHGDBROUGHMJQ-NTSWFWBYSA-N 1 0 203.242 -1.118 20 0 BAADRO C[C@@H](O)C[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC000249725596 135043570 /nfs/dbraw/zinc/04/35/70/135043570.db2.gz LXHGDBROUGHMJQ-PHDIDXHHSA-N 1 0 203.242 -1.118 20 0 BAADRO COCCS(=O)(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000250178415 363274899 /nfs/dbraw/zinc/27/48/99/363274899.db2.gz SXWSLUSMKDNSBH-JIGDXULJSA-N 1 0 220.294 -1.230 20 0 BAADRO CN(C)S(=O)(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000250365459 387114072 /nfs/dbraw/zinc/11/40/72/387114072.db2.gz XHQWEXWTNHBLRF-ZMONIFLSSA-N 1 0 205.283 -1.400 20 0 BAADRO CN1CCN(C(=O)[C@H]2COCCO2)[C@H](C[NH3+])C1 ZINC000250409521 349171217 /nfs/dbraw/zinc/17/12/17/349171217.db2.gz VUKHWINDLWUHKX-NXEZZACHSA-N 1 0 243.307 -1.497 20 0 BAADRO Cn1cnc(S(=O)(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000250614274 387120374 /nfs/dbraw/zinc/12/03/74/387120374.db2.gz ANEJVASBEVTHSN-QMSLJYSESA-N 1 0 242.304 -1.084 20 0 BAADRO O=S(=O)(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1c[nH]cn1 ZINC000250780966 388740729 /nfs/dbraw/zinc/74/07/29/388740729.db2.gz RWWMFWZQTMFUCO-BDINMYNLSA-N 1 0 228.277 -1.094 20 0 BAADRO C[NH2+][C@@H]1CCN([C@H](C)C(=O)NC(N)=O)C1 ZINC000251033651 388743106 /nfs/dbraw/zinc/74/31/06/388743106.db2.gz LUKFWUREFPXBIB-RNFRBKRXSA-N 1 0 214.269 -1.137 20 0 BAADRO COC(=O)[C@](C)(O)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000251055317 388744609 /nfs/dbraw/zinc/74/46/09/388744609.db2.gz BFOYNTCMOJSMLX-OIBJUYFYSA-N 1 0 230.264 -1.140 20 0 BAADRO COC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000251055319 388744327 /nfs/dbraw/zinc/74/43/27/388744327.db2.gz BFOYNTCMOJSMLX-XVKPBYJWSA-N 1 0 230.264 -1.140 20 0 BAADRO C[C@H](C(=O)NC(N)=O)N(C)C[C@H](C)[NH3+] ZINC000251088263 644792858 /nfs/dbraw/zinc/79/28/58/644792858.db2.gz JRKPBWMDWPICPK-NTSWFWBYSA-N 1 0 202.258 -1.151 20 0 BAADRO C[C@@H]([NH3+])CN(C)[C@H](C)C(=O)NC(N)=O ZINC000251088986 642877934 /nfs/dbraw/zinc/87/79/34/642877934.db2.gz JRKPBWMDWPICPK-PHDIDXHHSA-N 1 0 202.258 -1.151 20 0 BAADRO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2COCCO2)CCO1 ZINC000251518471 487532861 /nfs/dbraw/zinc/53/28/61/487532861.db2.gz JEPKYFAVZCEWKW-IVZWLZJFSA-N 1 0 244.291 -1.024 20 0 BAADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2COCCO2)CCO1 ZINC000251518476 487532730 /nfs/dbraw/zinc/53/27/30/487532730.db2.gz JEPKYFAVZCEWKW-LPEHRKFASA-N 1 0 244.291 -1.024 20 0 BAADRO C[C@H](C(=O)NC(N)=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000251551609 398297994 /nfs/dbraw/zinc/29/79/94/398297994.db2.gz LQHAIULNQKNXRX-RNJXMRFFSA-N 1 0 244.295 -1.382 20 0 BAADRO C[C@H](C(=O)NC(N)=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000251551623 398298113 /nfs/dbraw/zinc/29/81/13/398298113.db2.gz LQHAIULNQKNXRX-XLPZGREQSA-N 1 0 244.295 -1.382 20 0 BAADRO COC(=O)[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC000251847780 398300874 /nfs/dbraw/zinc/30/08/74/398300874.db2.gz RCKAUSIRCFAYOF-RNFRBKRXSA-N 1 0 243.263 -1.078 20 0 BAADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1COCCO1 ZINC000252387578 133649835 /nfs/dbraw/zinc/64/98/35/133649835.db2.gz AVNJWSLLXWELBO-UYXSQOIJSA-N 1 0 212.249 -1.264 20 0 BAADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1COCCO1 ZINC000252387579 343125833 /nfs/dbraw/zinc/12/58/33/343125833.db2.gz AVNJWSLLXWELBO-XAVMHZPKSA-N 1 0 212.249 -1.264 20 0 BAADRO O=C(CN1CCCC1=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000252403181 353299825 /nfs/dbraw/zinc/29/98/25/353299825.db2.gz BCJVIWOINLMRHI-VROVMSAKSA-N 1 0 223.276 -1.057 20 0 BAADRO O=S(=O)(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCOCC1 ZINC000252407329 133649734 /nfs/dbraw/zinc/64/97/34/133649734.db2.gz HKSDDRYIBUERJO-BRPSZJMVSA-N 1 0 247.320 -1.629 20 0 BAADRO O=C(Cn1cnnn1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000252414627 135089227 /nfs/dbraw/zinc/08/92/27/135089227.db2.gz QQSUWLYHZQFUOC-BDINMYNLSA-N 1 0 208.225 -1.993 20 0 BAADRO Cn1cc(S(=O)(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cn1 ZINC000252414979 353300138 /nfs/dbraw/zinc/30/01/38/353300138.db2.gz QYUKTIMLRZXYRB-BRPSZJMVSA-N 1 0 242.304 -1.084 20 0 BAADRO C[C@H](C(=O)NC(N)=O)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453511 370045197 /nfs/dbraw/zinc/04/51/97/370045197.db2.gz MKHNKCYOGMEXML-CSMHCCOUSA-N 1 0 226.280 -1.279 20 0 BAADRO CNC(=O)NC(=O)[C@H](C)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453650 345965412 /nfs/dbraw/zinc/96/54/12/345965412.db2.gz QGYKXZVQFBJCDE-CIUDSAMLSA-N 1 0 240.307 -1.018 20 0 BAADRO C[C@H]1C(=O)NCCN1C[C@H]1C[NH2+]CCO1 ZINC000252467242 487754771 /nfs/dbraw/zinc/75/47/71/487754771.db2.gz YLZSKNOHJUNIEC-DTWKUNHWSA-N 1 0 213.281 -1.205 20 0 BAADRO C[C@@H]1C(=O)NCCN1C[C@H]1C[NH2+]CCO1 ZINC000252467243 487825291 /nfs/dbraw/zinc/82/52/91/487825291.db2.gz YLZSKNOHJUNIEC-RKDXNWHRSA-N 1 0 213.281 -1.205 20 0 BAADRO CN1CCO[C@H](CNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000252542984 388767816 /nfs/dbraw/zinc/76/78/16/388767816.db2.gz GNAYPPYDZWZKMO-NXEZZACHSA-N 1 0 243.307 -1.578 20 0 BAADRO CN1CCO[C@@H](CNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000252542985 388768960 /nfs/dbraw/zinc/76/89/60/388768960.db2.gz GNAYPPYDZWZKMO-VHSXEESVSA-N 1 0 243.307 -1.578 20 0 BAADRO C[C@H](C(N)=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000252683685 487829354 /nfs/dbraw/zinc/82/93/54/487829354.db2.gz FDBYDJCUZCDONE-RNJXMRFFSA-N 1 0 201.270 -1.092 20 0 BAADRO C[C@H](C(N)=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000252683686 487829823 /nfs/dbraw/zinc/82/98/23/487829823.db2.gz FDBYDJCUZCDONE-XLPZGREQSA-N 1 0 201.270 -1.092 20 0 BAADRO CCNS(=O)(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000252723558 487831144 /nfs/dbraw/zinc/83/11/44/487831144.db2.gz URVSYHUBBWCITL-JGVFFNPUSA-N 1 0 237.325 -1.111 20 0 BAADRO CCNS(=O)(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000252723559 487831046 /nfs/dbraw/zinc/83/10/46/487831046.db2.gz URVSYHUBBWCITL-YUMQZZPRSA-N 1 0 237.325 -1.111 20 0 BAADRO CCNS(=O)(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000252723565 487831070 /nfs/dbraw/zinc/83/10/70/487831070.db2.gz USRMXYZWFYTMHE-MRVPVSSYSA-N 1 0 236.341 -1.585 20 0 BAADRO Cn1nccc1S(=O)(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000252880459 353313333 /nfs/dbraw/zinc/31/33/33/353313333.db2.gz ZGGLWGCQIZPJOX-QMSLJYSESA-N 1 0 242.304 -1.084 20 0 BAADRO CNS(=O)(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000253363591 642639909 /nfs/dbraw/zinc/63/99/09/642639909.db2.gz JQEOYZZVVYGAAD-SSDOTTSWSA-N 1 0 222.314 -1.975 20 0 BAADRO CCNS(=O)(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000253366402 170136158 /nfs/dbraw/zinc/13/61/58/170136158.db2.gz RKFACKWNRRBNSF-ZMONIFLSSA-N 1 0 205.283 -1.352 20 0 BAADRO [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@H]1COCCO1 ZINC000257361813 135131626 /nfs/dbraw/zinc/13/16/26/135131626.db2.gz HFZAJEKMVNTROZ-BIIVOSGPSA-N 1 0 200.238 -1.135 20 0 BAADRO [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@@H]1COCCO1 ZINC000257361815 135131234 /nfs/dbraw/zinc/13/12/34/135131234.db2.gz HFZAJEKMVNTROZ-GJMOJQLCSA-N 1 0 200.238 -1.135 20 0 BAADRO O=C(NCCN1CCOCC1)N[C@H]1CC[NH2+]C1 ZINC000258091559 349491502 /nfs/dbraw/zinc/49/15/02/349491502.db2.gz JSDVBDWJKAUKLG-JTQLQIEISA-N 1 0 242.323 -1.020 20 0 BAADRO O=C(NCCN1CCOCC1)N[C@@H]1CC[NH2+]C1 ZINC000258091561 385537928 /nfs/dbraw/zinc/53/79/28/385537928.db2.gz JSDVBDWJKAUKLG-SNVBAGLBSA-N 1 0 242.323 -1.020 20 0 BAADRO COC(=O)[C@@H]1COCCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000260079683 349639873 /nfs/dbraw/zinc/63/98/73/349639873.db2.gz XWCJBMCUNQRQQG-BDAKNGLRSA-N 1 0 242.275 -1.004 20 0 BAADRO COC(=O)[C@H]1COCCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000260079697 349639574 /nfs/dbraw/zinc/63/95/74/349639574.db2.gz XWCJBMCUNQRQQG-RKDXNWHRSA-N 1 0 242.275 -1.004 20 0 BAADRO NS(=O)(=O)C[C@H]1CCCN1CC[NH3+] ZINC000261527504 135151649 /nfs/dbraw/zinc/15/16/49/135151649.db2.gz BZLWEKHYGWNBMK-SSDOTTSWSA-N 1 0 207.299 -1.302 20 0 BAADRO NS(=O)(=O)C[C@@H]1CCCN1CC[NH3+] ZINC000261527505 135151742 /nfs/dbraw/zinc/15/17/42/135151742.db2.gz BZLWEKHYGWNBMK-ZETCQYMHSA-N 1 0 207.299 -1.302 20 0 BAADRO [NH3+]CCNC(=O)CN1CSCC1=O ZINC000261527685 135151721 /nfs/dbraw/zinc/15/17/21/135151721.db2.gz FXTLMKWUCJFJQC-UHFFFAOYSA-N 1 0 203.267 -1.406 20 0 BAADRO CS(=O)(=O)N[C@@H]1CCN(CC[NH3+])C1 ZINC000261527735 135152349 /nfs/dbraw/zinc/15/23/49/135152349.db2.gz GNHRUCJCUNCWAA-SSDOTTSWSA-N 1 0 207.299 -1.431 20 0 BAADRO CS(=O)(=O)N[C@H]1CCN(CC[NH3+])C1 ZINC000261527736 135152212 /nfs/dbraw/zinc/15/22/12/135152212.db2.gz GNHRUCJCUNCWAA-ZETCQYMHSA-N 1 0 207.299 -1.431 20 0 BAADRO CNS(=O)(=O)C[C@H]1CCCN1CC[NH3+] ZINC000261527753 135151722 /nfs/dbraw/zinc/15/17/22/135151722.db2.gz GTAFOFYLZIUYLB-MRVPVSSYSA-N 1 0 221.326 -1.041 20 0 BAADRO CNS(=O)(=O)C[C@@H]1CCCN1CC[NH3+] ZINC000261527754 135151555 /nfs/dbraw/zinc/15/15/55/135151555.db2.gz GTAFOFYLZIUYLB-QMMMGPOBSA-N 1 0 221.326 -1.041 20 0 BAADRO CN(CCNS(C)(=O)=O)C1C[NH2+]C1 ZINC000261527772 135151860 /nfs/dbraw/zinc/15/18/60/135151860.db2.gz HAOJXWUGRVKPSE-UHFFFAOYSA-N 1 0 207.299 -1.561 20 0 BAADRO CCNS(=O)(=O)[C@@H]1CCN(CC[NH3+])C1 ZINC000261527778 135151844 /nfs/dbraw/zinc/15/18/44/135151844.db2.gz HBVDZDUKLUMQFD-MRVPVSSYSA-N 1 0 221.326 -1.041 20 0 BAADRO CCNS(=O)(=O)[C@H]1CCN(CC[NH3+])C1 ZINC000261527779 135151726 /nfs/dbraw/zinc/15/17/26/135151726.db2.gz HBVDZDUKLUMQFD-QMMMGPOBSA-N 1 0 221.326 -1.041 20 0 BAADRO CS(=O)(=O)NCCN1CCC[NH2+]CC1 ZINC000261527877 135153028 /nfs/dbraw/zinc/15/30/28/135153028.db2.gz BFZYPLFJQSNCTB-UHFFFAOYSA-N 1 0 221.326 -1.169 20 0 BAADRO C[C@@H]1CN(CCNS(C)(=O)=O)CC[NH2+]1 ZINC000261527880 135152546 /nfs/dbraw/zinc/15/25/46/135152546.db2.gz BHNMICJLGYKTJS-MRVPVSSYSA-N 1 0 221.326 -1.171 20 0 BAADRO C[C@H]1CN(CCNS(C)(=O)=O)CC[NH2+]1 ZINC000261527881 135152610 /nfs/dbraw/zinc/15/26/10/135152610.db2.gz BHNMICJLGYKTJS-QMMMGPOBSA-N 1 0 221.326 -1.171 20 0 BAADRO C[C@@H]1C[NH2+]CCN1CCNS(C)(=O)=O ZINC000261527894 135153149 /nfs/dbraw/zinc/15/31/49/135153149.db2.gz CDTRESOHRONGRQ-MRVPVSSYSA-N 1 0 221.326 -1.171 20 0 BAADRO C[C@H]1C[NH2+]CCN1CCNS(C)(=O)=O ZINC000261527895 135152538 /nfs/dbraw/zinc/15/25/38/135152538.db2.gz CDTRESOHRONGRQ-QMMMGPOBSA-N 1 0 221.326 -1.171 20 0 BAADRO CC1(C)NC(=O)N(CC(=O)NCC[NH3+])C1=O ZINC000261527995 534974042 /nfs/dbraw/zinc/97/40/42/534974042.db2.gz GCZXEDJYVZHIRL-UHFFFAOYSA-N 1 0 228.252 -1.608 20 0 BAADRO CN(CCNS(C)(=O)=O)[C@@H]1CC[NH2+]C1 ZINC000261528092 135152540 /nfs/dbraw/zinc/15/25/40/135152540.db2.gz HUZXFSNXSMILNX-MRVPVSSYSA-N 1 0 221.326 -1.171 20 0 BAADRO CN(CCNS(C)(=O)=O)[C@H]1CC[NH2+]C1 ZINC000261528093 135152762 /nfs/dbraw/zinc/15/27/62/135152762.db2.gz HUZXFSNXSMILNX-QMMMGPOBSA-N 1 0 221.326 -1.171 20 0 BAADRO CCN(C)S(=O)(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000261528696 135154397 /nfs/dbraw/zinc/15/43/97/135154397.db2.gz UCPXNAARMCIXGX-JIGDXULJSA-N 1 0 219.310 -1.010 20 0 BAADRO COC(=O)CNC(=O)COC1C[NH2+]C1 ZINC000261528938 135155228 /nfs/dbraw/zinc/15/52/28/135155228.db2.gz XCQCZCCYDPPJNO-UHFFFAOYSA-N 1 0 202.210 -1.736 20 0 BAADRO CCS(=O)(=O)NCCN(C)C1C[NH2+]C1 ZINC000261528954 135155336 /nfs/dbraw/zinc/15/53/36/135155336.db2.gz XRGVZTYMJJRJNF-UHFFFAOYSA-N 1 0 221.326 -1.171 20 0 BAADRO Cc1c(S(=O)(=O)NCC[NH3+])cnn1C ZINC000261529542 135155527 /nfs/dbraw/zinc/15/55/27/135155527.db2.gz SWUGMCSTWKBNJP-UHFFFAOYSA-N 1 0 218.282 -1.034 20 0 BAADRO CC1(C)CN(C(=O)C[NH3+])CCS1(=O)=O ZINC000261530056 135157279 /nfs/dbraw/zinc/15/72/79/135157279.db2.gz BUCWPCXNIVAGNX-UHFFFAOYSA-N 1 0 220.294 -1.019 20 0 BAADRO COCCN1CCN(CC[NH3+])CC1=O ZINC000261530225 135157549 /nfs/dbraw/zinc/15/75/49/135157549.db2.gz YICHEMJZVDVEJI-UHFFFAOYSA-N 1 0 201.270 -1.264 20 0 BAADRO CCS(=O)(=O)NCCN1CC[C@@H]([NH3+])C1 ZINC000261530341 135157319 /nfs/dbraw/zinc/15/73/19/135157319.db2.gz CNEWEVZYBQGSRE-MRVPVSSYSA-N 1 0 221.326 -1.041 20 0 BAADRO CCS(=O)(=O)NCCN1CC[C@H]([NH3+])C1 ZINC000261530342 135157590 /nfs/dbraw/zinc/15/75/90/135157590.db2.gz CNEWEVZYBQGSRE-QMMMGPOBSA-N 1 0 221.326 -1.041 20 0 BAADRO COC[C@H]([NH3+])C(=O)N[C@H]1CC(=O)N(C)C1 ZINC000261531246 135159680 /nfs/dbraw/zinc/15/96/80/135159680.db2.gz FVYBLBTUVPFHKK-BQBZGAKWSA-N 1 0 215.253 -1.693 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)N[C@H]1CC(=O)N(C)C1 ZINC000261531602 135160558 /nfs/dbraw/zinc/16/05/58/135160558.db2.gz HGVOSWOFJVANGY-BQBZGAKWSA-N 1 0 215.253 -1.693 20 0 BAADRO CO[C@H](C[NH3+])C(=O)N[C@H]1CC(=O)N(C)C1 ZINC000261531603 135160987 /nfs/dbraw/zinc/16/09/87/135160987.db2.gz HGVOSWOFJVANGY-NKWVEPMBSA-N 1 0 215.253 -1.693 20 0 BAADRO CO[C@H](C[NH3+])C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000261531604 135160880 /nfs/dbraw/zinc/16/08/80/135160880.db2.gz HGVOSWOFJVANGY-RNFRBKRXSA-N 1 0 215.253 -1.693 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000261531605 135161143 /nfs/dbraw/zinc/16/11/43/135161143.db2.gz HGVOSWOFJVANGY-RQJHMYQMSA-N 1 0 215.253 -1.693 20 0 BAADRO [NH3+]CCN(CCO)CCN1CCOCC1 ZINC000261531875 135161795 /nfs/dbraw/zinc/16/17/95/135161795.db2.gz IETVMSNCFILFGY-UHFFFAOYSA-N 1 0 217.313 -1.428 20 0 BAADRO C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)C[NH3+] ZINC000261531880 135161517 /nfs/dbraw/zinc/16/15/17/135161517.db2.gz IFPXMGHKJYCJBQ-BQBZGAKWSA-N 1 0 220.294 -1.021 20 0 BAADRO C[C@@H]1[C@H](C)N(C(=O)C[NH3+])CCS1(=O)=O ZINC000261531881 135161847 /nfs/dbraw/zinc/16/18/47/135161847.db2.gz IFPXMGHKJYCJBQ-NKWVEPMBSA-N 1 0 220.294 -1.021 20 0 BAADRO C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)C[NH3+] ZINC000261531882 135161667 /nfs/dbraw/zinc/16/16/67/135161667.db2.gz IFPXMGHKJYCJBQ-RNFRBKRXSA-N 1 0 220.294 -1.021 20 0 BAADRO C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)C[NH3+] ZINC000261531883 135161767 /nfs/dbraw/zinc/16/17/67/135161767.db2.gz IFPXMGHKJYCJBQ-RQJHMYQMSA-N 1 0 220.294 -1.021 20 0 BAADRO COC(=O)CCNC(=O)COC1C[NH2+]C1 ZINC000261532311 135108702 /nfs/dbraw/zinc/10/87/02/135108702.db2.gz AECKBTVULNITPU-UHFFFAOYSA-N 1 0 216.237 -1.346 20 0 BAADRO CCS(=O)(=O)NCCNC(=O)[C@H]1CC[NH2+]1 ZINC000261533158 135164458 /nfs/dbraw/zinc/16/44/58/135164458.db2.gz ATXVVJQPANSDFN-SSDOTTSWSA-N 1 0 235.309 -1.596 20 0 BAADRO C[C@@H]([NH3+])CN1CCN(S(N)(=O)=O)CC1 ZINC000261533237 135164029 /nfs/dbraw/zinc/16/40/29/135164029.db2.gz KMRVOQOHQXAAOR-SSDOTTSWSA-N 1 0 222.314 -1.845 20 0 BAADRO C[C@H]([NH3+])CN1CCN(S(N)(=O)=O)CC1 ZINC000261533238 135163851 /nfs/dbraw/zinc/16/38/51/135163851.db2.gz KMRVOQOHQXAAOR-ZETCQYMHSA-N 1 0 222.314 -1.845 20 0 BAADRO COCCOCC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000261533301 135164755 /nfs/dbraw/zinc/16/47/55/135164755.db2.gz KRQPWPDKYMXWHH-MBTKJCJQSA-N 1 0 214.265 -1.017 20 0 BAADRO CS(=O)(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261533320 135165125 /nfs/dbraw/zinc/16/51/25/135165125.db2.gz KTQDVSRFKHOJFP-SECBINFHSA-N 1 0 233.337 -1.075 20 0 BAADRO CS(=O)(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261533321 135164953 /nfs/dbraw/zinc/16/49/53/135164953.db2.gz KTQDVSRFKHOJFP-VIFPVBQESA-N 1 0 233.337 -1.075 20 0 BAADRO NC(=O)[C@H]1CN(C(=O)C2C[NH2+]C2)CCO1 ZINC000261533432 135165296 /nfs/dbraw/zinc/16/52/96/135165296.db2.gz AYXAPXCEPIVGAK-SSDOTTSWSA-N 1 0 213.237 -2.082 20 0 BAADRO NC(=O)[C@@H]1CN(C(=O)C2C[NH2+]C2)CCO1 ZINC000261533433 135164764 /nfs/dbraw/zinc/16/47/64/135164764.db2.gz AYXAPXCEPIVGAK-ZETCQYMHSA-N 1 0 213.237 -2.082 20 0 BAADRO CC[NH2+]CCNS(=O)(=O)c1cnnn1C ZINC000261533477 135165251 /nfs/dbraw/zinc/16/52/51/135165251.db2.gz BCKYOKAEBWDCRJ-UHFFFAOYSA-N 1 0 233.297 -1.297 20 0 BAADRO C[C@@H]1CN(S(=O)(=O)N2CCOCC2)C[C@H]1[NH3+] ZINC000261533635 135165083 /nfs/dbraw/zinc/16/50/83/135165083.db2.gz IQGLQBPDFIVJQI-RKDXNWHRSA-N 1 0 249.336 -1.158 20 0 BAADRO C[C@@H]1CN(C)CCN1C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000261534142 135165825 /nfs/dbraw/zinc/16/58/25/135165825.db2.gz NNPQCFJTQMPPGU-KXUCPTDWSA-N 1 0 227.308 -1.128 20 0 BAADRO C[C@@H]1CN(C)CCN1C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000261534144 135165855 /nfs/dbraw/zinc/16/58/55/135165855.db2.gz NNPQCFJTQMPPGU-OPRDCNLKSA-N 1 0 227.308 -1.128 20 0 BAADRO C[C@@H]1CN(C)CCN1C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000261534145 135165690 /nfs/dbraw/zinc/16/56/90/135165690.db2.gz NNPQCFJTQMPPGU-UTLUCORTSA-N 1 0 227.308 -1.128 20 0 BAADRO C[C@@H]([NH3+])CN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000261534574 135168079 /nfs/dbraw/zinc/16/80/79/135168079.db2.gz MQHQYVNHEIFGHB-HTQZYQBOSA-N 1 0 221.326 -1.043 20 0 BAADRO C[C@H]([NH3+])CN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000261534575 135167520 /nfs/dbraw/zinc/16/75/20/135167520.db2.gz MQHQYVNHEIFGHB-JGVFFNPUSA-N 1 0 221.326 -1.043 20 0 BAADRO C[C@@H]([NH3+])CN1CC[C@H](NS(C)(=O)=O)C1 ZINC000261534576 135167978 /nfs/dbraw/zinc/16/79/78/135167978.db2.gz MQHQYVNHEIFGHB-SFYZADRCSA-N 1 0 221.326 -1.043 20 0 BAADRO C[C@H]([NH3+])CN1CC[C@H](NS(C)(=O)=O)C1 ZINC000261534577 135167719 /nfs/dbraw/zinc/16/77/19/135167719.db2.gz MQHQYVNHEIFGHB-YUMQZZPRSA-N 1 0 221.326 -1.043 20 0 BAADRO CC(C)([NH3+])CN1CCO[C@@H](C(N)=O)C1 ZINC000261535364 135169484 /nfs/dbraw/zinc/16/94/84/135169484.db2.gz OHCNONUNMSLRCJ-SSDOTTSWSA-N 1 0 201.270 -1.090 20 0 BAADRO CC(C)([NH3+])CN1CCO[C@H](C(N)=O)C1 ZINC000261535365 135169943 /nfs/dbraw/zinc/16/99/43/135169943.db2.gz OHCNONUNMSLRCJ-ZETCQYMHSA-N 1 0 201.270 -1.090 20 0 BAADRO C[C@@H]([NH3+])CN1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000261535603 135169531 /nfs/dbraw/zinc/16/95/31/135169531.db2.gz OTLVPOCYGWIDQC-BWZBUEFSSA-N 1 0 201.270 -1.092 20 0 BAADRO C[C@@H]([NH3+])CN1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000261535604 135169995 /nfs/dbraw/zinc/16/99/95/135169995.db2.gz OTLVPOCYGWIDQC-PRJMDXOYSA-N 1 0 201.270 -1.092 20 0 BAADRO C[C@H]([NH3+])CN1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000261535605 135169746 /nfs/dbraw/zinc/16/97/46/135169746.db2.gz OTLVPOCYGWIDQC-RNJXMRFFSA-N 1 0 201.270 -1.092 20 0 BAADRO C[C@H]([NH3+])CN1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000261535606 135170630 /nfs/dbraw/zinc/17/06/30/135170630.db2.gz OTLVPOCYGWIDQC-XLPZGREQSA-N 1 0 201.270 -1.092 20 0 BAADRO COCCN(C)S(=O)(=O)N[C@@H](C)C[NH3+] ZINC000261535922 135170786 /nfs/dbraw/zinc/17/07/86/135170786.db2.gz PRIIXZUMDHIFCQ-ZETCQYMHSA-N 1 0 225.314 -1.254 20 0 BAADRO CS(=O)(=O)NCCN1CCC[C@@H]([NH3+])C1 ZINC000261536379 135171544 /nfs/dbraw/zinc/17/15/44/135171544.db2.gz RMNPGRLSRAOENU-MRVPVSSYSA-N 1 0 221.326 -1.041 20 0 BAADRO CS(=O)(=O)NCCN1CCC[C@H]([NH3+])C1 ZINC000261536380 135171659 /nfs/dbraw/zinc/17/16/59/135171659.db2.gz RMNPGRLSRAOENU-QMMMGPOBSA-N 1 0 221.326 -1.041 20 0 BAADRO CS(=O)(=O)NCCN1CCC[C@@H]1C[NH3+] ZINC000261536987 135173406 /nfs/dbraw/zinc/17/34/06/135173406.db2.gz ULLUNBJRTVBOQY-MRVPVSSYSA-N 1 0 221.326 -1.041 20 0 BAADRO [NH3+]CCN(CCO)CC(=O)NC1CC1 ZINC000261537087 135109200 /nfs/dbraw/zinc/10/92/00/135109200.db2.gz UVDRSCNWZBEYSL-UHFFFAOYSA-N 1 0 201.270 -1.482 20 0 BAADRO C[C@@H](C[NH3+])NC(=O)CN1CSCC1=O ZINC000261537413 175710796 /nfs/dbraw/zinc/71/07/96/175710796.db2.gz VMZYMTYTFYSAIG-LURJTMIESA-N 1 0 217.294 -1.017 20 0 BAADRO C[C@H](C[NH3+])NC(=O)CN1CSCC1=O ZINC000261537414 176660728 /nfs/dbraw/zinc/66/07/28/176660728.db2.gz VMZYMTYTFYSAIG-ZCFIWIBFSA-N 1 0 217.294 -1.017 20 0 BAADRO C[NH2+][C@@H]1CCN(CCNS(C)(=O)=O)C1 ZINC000261537477 536375604 /nfs/dbraw/zinc/37/56/04/536375604.db2.gz VSOXCBYFRRTJKZ-MRVPVSSYSA-N 1 0 221.326 -1.171 20 0 BAADRO C[NH2+][C@H]1CCN(CCNS(C)(=O)=O)C1 ZINC000261537478 135173781 /nfs/dbraw/zinc/17/37/81/135173781.db2.gz VSOXCBYFRRTJKZ-QMMMGPOBSA-N 1 0 221.326 -1.171 20 0 BAADRO CNC(=O)NC(=O)CNCC1([NH3+])CCC1 ZINC000261538985 536323871 /nfs/dbraw/zinc/32/38/71/536323871.db2.gz BGUMNSSUCFHEMM-UHFFFAOYSA-N 1 0 214.269 -1.087 20 0 BAADRO C[NH2+][C@H]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000261539104 135176974 /nfs/dbraw/zinc/17/69/74/135176974.db2.gz BOKKLVBWKSMUDJ-DTWKUNHWSA-N 1 0 213.281 -1.205 20 0 BAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000261539313 135178180 /nfs/dbraw/zinc/17/81/80/135178180.db2.gz CBZFADJOATYZFG-SSDOTTSWSA-N 1 0 235.309 -1.596 20 0 BAADRO CNS(=O)(=O)CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000261539314 135178102 /nfs/dbraw/zinc/17/81/02/135178102.db2.gz CBZFADJOATYZFG-ZETCQYMHSA-N 1 0 235.309 -1.596 20 0 BAADRO O=C([C@H]1CC[NH2+]1)N1CCN(CCO)CC1 ZINC000261540519 135179215 /nfs/dbraw/zinc/17/92/15/135179215.db2.gz FABYWJIZYCNWFI-SECBINFHSA-N 1 0 213.281 -1.515 20 0 BAADRO C[NH2+]CC(=O)N[C@]1(C(=O)OC)CCOC1 ZINC000261540567 135180198 /nfs/dbraw/zinc/18/01/98/135180198.db2.gz FDKLXKMMOBXXDX-SECBINFHSA-N 1 0 216.237 -1.346 20 0 BAADRO C[NH2+]CC(=O)N[C@@]1(C(=O)OC)CCOC1 ZINC000261540568 135180382 /nfs/dbraw/zinc/18/03/82/135180382.db2.gz FDKLXKMMOBXXDX-VIFPVBQESA-N 1 0 216.237 -1.346 20 0 BAADRO C[NH2+]CCNC(=O)CN1CCCS1(=O)=O ZINC000261541388 135181026 /nfs/dbraw/zinc/18/10/26/135181026.db2.gz FTJFKIJYLKOQLP-UHFFFAOYSA-N 1 0 235.309 -1.643 20 0 BAADRO C[C@@H]1CN(C(=O)C2C[NH2+]C2)CCS1(=O)=O ZINC000261541473 135180952 /nfs/dbraw/zinc/18/09/52/135180952.db2.gz GAEOJJZAIXWZNM-SSDOTTSWSA-N 1 0 232.305 -1.149 20 0 BAADRO C[C@H]1CN(C(=O)C2C[NH2+]C2)CCS1(=O)=O ZINC000261541474 135180914 /nfs/dbraw/zinc/18/09/14/135180914.db2.gz GAEOJJZAIXWZNM-ZETCQYMHSA-N 1 0 232.305 -1.149 20 0 BAADRO CNS(=O)(=O)CC(=O)NCC1([NH3+])CCC1 ZINC000261542310 536472128 /nfs/dbraw/zinc/47/21/28/536472128.db2.gz GPKRETLCHNASQV-UHFFFAOYSA-N 1 0 235.309 -1.467 20 0 BAADRO CC1(C)CN(C(=O)Cn2cnnn2)CC[NH2+]1 ZINC000261542564 135183140 /nfs/dbraw/zinc/18/31/40/135183140.db2.gz GYAHBNMAECLRIU-UHFFFAOYSA-N 1 0 224.268 -1.117 20 0 BAADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C[NH3+] ZINC000261542959 388582225 /nfs/dbraw/zinc/58/22/25/388582225.db2.gz HJAATJBOOBCLPV-SSDOTTSWSA-N 1 0 235.309 -1.515 20 0 BAADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C[NH3+] ZINC000261542960 536474454 /nfs/dbraw/zinc/47/44/54/536474454.db2.gz HJAATJBOOBCLPV-ZETCQYMHSA-N 1 0 235.309 -1.515 20 0 BAADRO COC1(C(=O)N2CCNC(=O)C2)CC[NH2+]CC1 ZINC000261543056 536522518 /nfs/dbraw/zinc/52/25/18/536522518.db2.gz CRKGHWNPIAYVCT-UHFFFAOYSA-N 1 0 241.291 -1.287 20 0 BAADRO CCN(C)S(=O)(=O)N1CCO[C@H](C[NH3+])C1 ZINC000261543779 135184666 /nfs/dbraw/zinc/18/46/66/135184666.db2.gz IFFHAYWVTGPVTC-MRVPVSSYSA-N 1 0 237.325 -1.158 20 0 BAADRO CCN(C)S(=O)(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000261543780 135184383 /nfs/dbraw/zinc/18/43/83/135184383.db2.gz IFFHAYWVTGPVTC-QMMMGPOBSA-N 1 0 237.325 -1.158 20 0 BAADRO CS(=O)(=O)NCCN1CCO[C@H](C[NH3+])C1 ZINC000261544255 135185129 /nfs/dbraw/zinc/18/51/29/135185129.db2.gz ITEPUSDUPXLNRR-MRVPVSSYSA-N 1 0 237.325 -1.805 20 0 BAADRO CS(=O)(=O)NCCN1CCO[C@@H](C[NH3+])C1 ZINC000261544256 135185396 /nfs/dbraw/zinc/18/53/96/135185396.db2.gz ITEPUSDUPXLNRR-QMMMGPOBSA-N 1 0 237.325 -1.805 20 0 BAADRO O=C(Cn1cnnn1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261544304 135185101 /nfs/dbraw/zinc/18/51/01/135185101.db2.gz DQYSWHAGKPDEDD-BDAKNGLRSA-N 1 0 236.279 -1.259 20 0 BAADRO O=C(Cn1cnnn1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261544305 135185176 /nfs/dbraw/zinc/18/51/76/135185176.db2.gz DQYSWHAGKPDEDD-DTWKUNHWSA-N 1 0 236.279 -1.259 20 0 BAADRO O=C(Cn1cnnn1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261544306 135185296 /nfs/dbraw/zinc/18/52/96/135185296.db2.gz DQYSWHAGKPDEDD-IUCAKERBSA-N 1 0 236.279 -1.259 20 0 BAADRO O=C(Cn1cnnn1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261544307 135185578 /nfs/dbraw/zinc/18/55/78/135185578.db2.gz DQYSWHAGKPDEDD-RKDXNWHRSA-N 1 0 236.279 -1.259 20 0 BAADRO CN(CCOCC[NH3+])CC(=O)N1CCOCC1 ZINC000261545651 135150204 /nfs/dbraw/zinc/15/02/04/135150204.db2.gz GFSVCIUPBYAMLM-UHFFFAOYSA-N 1 0 245.323 -1.248 20 0 BAADRO CN(Cc1nnnn1C)C(=O)C1C[NH2+]C1 ZINC000261547169 536486911 /nfs/dbraw/zinc/48/69/11/536486911.db2.gz LYUMNTAAHZXYJX-UHFFFAOYSA-N 1 0 210.241 -1.612 20 0 BAADRO CC(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000261547539 135240385 /nfs/dbraw/zinc/24/03/85/135240385.db2.gz MKFNJSVTXJCNNS-MBTKJCJQSA-N 1 0 211.265 -1.201 20 0 BAADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1COCCN1 ZINC000261548337 135186935 /nfs/dbraw/zinc/18/69/35/135186935.db2.gz NMTBBNPWEHBTIX-UYXSQOIJSA-N 1 0 211.265 -1.691 20 0 BAADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1COCCN1 ZINC000261548338 135187071 /nfs/dbraw/zinc/18/70/71/135187071.db2.gz NMTBBNPWEHBTIX-XAVMHZPKSA-N 1 0 211.265 -1.691 20 0 BAADRO COCCN(C)S(=O)(=O)N(C)C1C[NH2+]C1 ZINC000261550066 135189425 /nfs/dbraw/zinc/18/94/25/135189425.db2.gz PGTFQRWSCGIUMD-UHFFFAOYSA-N 1 0 237.325 -1.287 20 0 BAADRO CC[NH2+][C@H](C)CNC(=O)Cn1cnnn1 ZINC000261550079 135189211 /nfs/dbraw/zinc/18/92/11/135189211.db2.gz PIEOHYDKBNVSKF-SSDOTTSWSA-N 1 0 212.257 -1.213 20 0 BAADRO CCOC(=O)CNC(=O)COC1C[NH2+]C1 ZINC000261550080 135188944 /nfs/dbraw/zinc/18/89/44/135188944.db2.gz PIILFDUHWKJURW-UHFFFAOYSA-N 1 0 216.237 -1.346 20 0 BAADRO CNS(=O)(=O)CC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000261550790 135189255 /nfs/dbraw/zinc/18/92/55/135189255.db2.gz PRJBNOAZSFKKDW-SSDOTTSWSA-N 1 0 235.309 -1.515 20 0 BAADRO CNS(=O)(=O)CC(=O)N1CCC[C@H]([NH3+])C1 ZINC000261550792 135188968 /nfs/dbraw/zinc/18/89/68/135188968.db2.gz PRJBNOAZSFKKDW-ZETCQYMHSA-N 1 0 235.309 -1.515 20 0 BAADRO O=C(NCCNC(=O)[C@H]1CC[NH2+]1)C1CC1 ZINC000261551046 135190003 /nfs/dbraw/zinc/19/00/03/135190003.db2.gz PZXUDJSPHWRWSH-MRVPVSSYSA-N 1 0 211.265 -1.009 20 0 BAADRO CNS(=O)(=O)CC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000261551125 135190398 /nfs/dbraw/zinc/19/03/98/135190398.db2.gz QDELOCPKZBOHGV-UHFFFAOYSA-N 1 0 249.336 -1.254 20 0 BAADRO COC(=O)[C@@H](C)NC(=O)COC1C[NH2+]C1 ZINC000261552419 135191370 /nfs/dbraw/zinc/19/13/70/135191370.db2.gz RKDIOIWWNOIVGN-ZCFIWIBFSA-N 1 0 216.237 -1.348 20 0 BAADRO O=C(COC1C[NH2+]C1)N1CCNC(=O)C1 ZINC000261552509 135191060 /nfs/dbraw/zinc/19/10/60/135191060.db2.gz RNYTTZVAGALJQP-UHFFFAOYSA-N 1 0 213.237 -2.067 20 0 BAADRO CN1C[C@H](NC(=O)C[C@H]2COCC[NH2+]2)CC1=O ZINC000261552990 536489315 /nfs/dbraw/zinc/48/93/15/536489315.db2.gz NOOBWNFQGGAKIA-BDAKNGLRSA-N 1 0 241.291 -1.288 20 0 BAADRO CN1C[C@@H](NC(=O)C[C@@H]2COCC[NH2+]2)CC1=O ZINC000261552991 135192044 /nfs/dbraw/zinc/19/20/44/135192044.db2.gz NOOBWNFQGGAKIA-DTWKUNHWSA-N 1 0 241.291 -1.288 20 0 BAADRO CN1C[C@@H](NC(=O)C[C@H]2COCC[NH2+]2)CC1=O ZINC000261552992 536485626 /nfs/dbraw/zinc/48/56/26/536485626.db2.gz NOOBWNFQGGAKIA-IUCAKERBSA-N 1 0 241.291 -1.288 20 0 BAADRO CN1C[C@H](NC(=O)C[C@@H]2COCC[NH2+]2)CC1=O ZINC000261552993 536489328 /nfs/dbraw/zinc/48/93/28/536489328.db2.gz NOOBWNFQGGAKIA-RKDXNWHRSA-N 1 0 241.291 -1.288 20 0 BAADRO CNS(=O)(=O)CC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000261553818 135193513 /nfs/dbraw/zinc/19/35/13/135193513.db2.gz SVOBDWPZRGPJIU-SSDOTTSWSA-N 1 0 235.309 -1.644 20 0 BAADRO CNS(=O)(=O)CC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000261553819 135194011 /nfs/dbraw/zinc/19/40/11/135194011.db2.gz SVOBDWPZRGPJIU-ZETCQYMHSA-N 1 0 235.309 -1.644 20 0 BAADRO CNS(=O)(=O)CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000261554295 135193941 /nfs/dbraw/zinc/19/39/41/135193941.db2.gz UDDQXAYREBZQPN-SSDOTTSWSA-N 1 0 235.309 -1.596 20 0 BAADRO CNS(=O)(=O)CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000261554297 135193465 /nfs/dbraw/zinc/19/34/65/135193465.db2.gz UDDQXAYREBZQPN-ZETCQYMHSA-N 1 0 235.309 -1.596 20 0 BAADRO COC(=O)CNC(=O)CCOC1C[NH2+]C1 ZINC000261554796 135194700 /nfs/dbraw/zinc/19/47/00/135194700.db2.gz UPKAGAMRUPGUHG-UHFFFAOYSA-N 1 0 216.237 -1.346 20 0 BAADRO C[C@H](C[NH3+])N(C)CCN1C(=O)CNC1=O ZINC000261555758 135108914 /nfs/dbraw/zinc/10/89/14/135108914.db2.gz VGJVHGCFBNJLFM-SSDOTTSWSA-N 1 0 214.269 -1.183 20 0 BAADRO CNC(=O)NC(=O)CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261556419 135196933 /nfs/dbraw/zinc/19/69/33/135196933.db2.gz QQEIJNJEPHSCGV-BDAKNGLRSA-N 1 0 240.307 -1.017 20 0 BAADRO CNC(=O)NC(=O)CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261556420 135197315 /nfs/dbraw/zinc/19/73/15/135197315.db2.gz QQEIJNJEPHSCGV-DTWKUNHWSA-N 1 0 240.307 -1.017 20 0 BAADRO CNC(=O)NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261556421 135197198 /nfs/dbraw/zinc/19/71/98/135197198.db2.gz QQEIJNJEPHSCGV-IUCAKERBSA-N 1 0 240.307 -1.017 20 0 BAADRO CNC(=O)NC(=O)CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261556422 135196904 /nfs/dbraw/zinc/19/69/04/135196904.db2.gz QQEIJNJEPHSCGV-RKDXNWHRSA-N 1 0 240.307 -1.017 20 0 BAADRO CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000261558365 135199907 /nfs/dbraw/zinc/19/99/07/135199907.db2.gz YEZHGKBADOAQAX-URJBTRRKSA-N 1 0 211.265 -1.155 20 0 BAADRO CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000261558366 135199585 /nfs/dbraw/zinc/19/95/85/135199585.db2.gz YEZHGKBADOAQAX-ZLNHGNLKSA-N 1 0 211.265 -1.155 20 0 BAADRO O=C(Cn1cnnn1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261560192 135201257 /nfs/dbraw/zinc/20/12/57/135201257.db2.gz UJXQVVBESDBTHJ-JTQLQIEISA-N 1 0 236.279 -1.115 20 0 BAADRO O=C(Cn1cnnn1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261560193 135201578 /nfs/dbraw/zinc/20/15/78/135201578.db2.gz UJXQVVBESDBTHJ-SNVBAGLBSA-N 1 0 236.279 -1.115 20 0 BAADRO CC[C@H](NC(=O)[C@H]1C[C@H](O)C[NH2+]1)C(=O)OC ZINC000261560897 135202082 /nfs/dbraw/zinc/20/20/82/135202082.db2.gz AHUMTKAUXTXXLR-BIIVOSGPSA-N 1 0 230.264 -1.223 20 0 BAADRO CC[C@H](NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)C(=O)OC ZINC000261560898 135201771 /nfs/dbraw/zinc/20/17/71/135201771.db2.gz AHUMTKAUXTXXLR-CSMHCCOUSA-N 1 0 230.264 -1.223 20 0 BAADRO CC[C@H](NC(=O)[C@@H]1C[C@H](O)C[NH2+]1)C(=O)OC ZINC000261560899 535835351 /nfs/dbraw/zinc/83/53/51/535835351.db2.gz AHUMTKAUXTXXLR-FXQIFTODSA-N 1 0 230.264 -1.223 20 0 BAADRO CC[C@H](NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)C(=O)OC ZINC000261560900 535856133 /nfs/dbraw/zinc/85/61/33/535856133.db2.gz AHUMTKAUXTXXLR-GJMOJQLCSA-N 1 0 230.264 -1.223 20 0 BAADRO CN1C[C@H](NC(=O)C[C@H]2C[NH2+]CCO2)CC1=O ZINC000261561403 536489345 /nfs/dbraw/zinc/48/93/45/536489345.db2.gz VJFGRSDQEVHXMC-BDAKNGLRSA-N 1 0 241.291 -1.288 20 0 BAADRO CN1C[C@@H](NC(=O)C[C@@H]2C[NH2+]CCO2)CC1=O ZINC000261561404 135202946 /nfs/dbraw/zinc/20/29/46/135202946.db2.gz VJFGRSDQEVHXMC-DTWKUNHWSA-N 1 0 241.291 -1.288 20 0 BAADRO CN1C[C@@H](NC(=O)C[C@H]2C[NH2+]CCO2)CC1=O ZINC000261561405 536485773 /nfs/dbraw/zinc/48/57/73/536485773.db2.gz VJFGRSDQEVHXMC-IUCAKERBSA-N 1 0 241.291 -1.288 20 0 BAADRO CN1C[C@H](NC(=O)C[C@@H]2C[NH2+]CCO2)CC1=O ZINC000261561406 536489394 /nfs/dbraw/zinc/48/93/94/536489394.db2.gz VJFGRSDQEVHXMC-RKDXNWHRSA-N 1 0 241.291 -1.288 20 0 BAADRO O=C(Cn1cnnn1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261567072 135209231 /nfs/dbraw/zinc/20/92/31/135209231.db2.gz ZMRMMGICKCHZLB-BDAKNGLRSA-N 1 0 236.279 -1.117 20 0 BAADRO O=C(Cn1cnnn1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261567073 135209627 /nfs/dbraw/zinc/20/96/27/135209627.db2.gz ZMRMMGICKCHZLB-DTWKUNHWSA-N 1 0 236.279 -1.117 20 0 BAADRO O=C(Cn1cnnn1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261567074 135209123 /nfs/dbraw/zinc/20/91/23/135209123.db2.gz ZMRMMGICKCHZLB-IUCAKERBSA-N 1 0 236.279 -1.117 20 0 BAADRO O=C(Cn1cnnn1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261567075 135209279 /nfs/dbraw/zinc/20/92/79/135209279.db2.gz ZMRMMGICKCHZLB-RKDXNWHRSA-N 1 0 236.279 -1.117 20 0 BAADRO CCNC(=O)N1CC[C@@H](NC(=O)C[NH3+])C1 ZINC000261568600 535791667 /nfs/dbraw/zinc/79/16/67/535791667.db2.gz FQDRKYLBDGMFSF-SSDOTTSWSA-N 1 0 214.269 -1.135 20 0 BAADRO CCNC(=O)N1CC[C@H](NC(=O)C[NH3+])C1 ZINC000261568602 135210314 /nfs/dbraw/zinc/21/03/14/135210314.db2.gz FQDRKYLBDGMFSF-ZETCQYMHSA-N 1 0 214.269 -1.135 20 0 BAADRO COCC[NH2+]CC(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000261568753 135210280 /nfs/dbraw/zinc/21/02/80/135210280.db2.gz FVMIHKUQXNARMW-MRVPVSSYSA-N 1 0 229.280 -1.431 20 0 BAADRO COCC[NH2+]CC(=O)N[C@H]1CC(=O)N(C)C1 ZINC000261568754 135210548 /nfs/dbraw/zinc/21/05/48/135210548.db2.gz FVMIHKUQXNARMW-QMMMGPOBSA-N 1 0 229.280 -1.431 20 0 BAADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000261569366 135211240 /nfs/dbraw/zinc/21/12/40/135211240.db2.gz GFNQDSIGFWFSMJ-CIUDSAMLSA-N 1 0 213.281 -1.077 20 0 BAADRO CN1C[C@H](NC(=O)[C@H]2C[NH2+]CCO2)CC1=O ZINC000261572028 135213924 /nfs/dbraw/zinc/21/39/24/135213924.db2.gz HZOKUOPEZIAJSN-HTQZYQBOSA-N 1 0 227.264 -1.678 20 0 BAADRO CN1C[C@@H](NC(=O)[C@H]2C[NH2+]CCO2)CC1=O ZINC000261572029 135214409 /nfs/dbraw/zinc/21/44/09/135214409.db2.gz HZOKUOPEZIAJSN-JGVFFNPUSA-N 1 0 227.264 -1.678 20 0 BAADRO CN1C[C@H](NC(=O)[C@@H]2C[NH2+]CCO2)CC1=O ZINC000261572030 135214107 /nfs/dbraw/zinc/21/41/07/135214107.db2.gz HZOKUOPEZIAJSN-SFYZADRCSA-N 1 0 227.264 -1.678 20 0 BAADRO CN1C[C@@H](NC(=O)[C@@H]2C[NH2+]CCO2)CC1=O ZINC000261572031 135214076 /nfs/dbraw/zinc/21/40/76/135214076.db2.gz HZOKUOPEZIAJSN-YUMQZZPRSA-N 1 0 227.264 -1.678 20 0 BAADRO Cn1nncc1S(=O)(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC000261572390 135214299 /nfs/dbraw/zinc/21/42/99/135214299.db2.gz ICAUQBYPZPTSDY-IZLXSQMJSA-N 1 0 231.281 -1.417 20 0 BAADRO Cn1nncc1S(=O)(=O)NC(C)(C)C[NH3+] ZINC000261575411 135216860 /nfs/dbraw/zinc/21/68/60/135216860.db2.gz JRAXDQHIHOCZSU-UHFFFAOYSA-N 1 0 233.297 -1.169 20 0 BAADRO NCC(F)(F)CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000261578942 135219892 /nfs/dbraw/zinc/21/98/92/135219892.db2.gz MBSJQRLSJMEMMT-ZCFIWIBFSA-N 1 0 223.223 -1.315 20 0 BAADRO COCCN(C)S(=O)(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC000261579186 135219585 /nfs/dbraw/zinc/21/95/85/135219585.db2.gz MEIWCHFEMRIXFP-ZKCHVHJHSA-N 1 0 237.325 -1.111 20 0 BAADRO CN(C(=O)CN(CC[NH3+])CCO)C1CC1 ZINC000261579905 535982215 /nfs/dbraw/zinc/98/22/15/535982215.db2.gz MONBMFBIVPNMRS-UHFFFAOYSA-N 1 0 215.297 -1.140 20 0 BAADRO NC(=O)NC[C@H]1CCCCN1C(=O)C[NH3+] ZINC000261580292 487546813 /nfs/dbraw/zinc/54/68/13/487546813.db2.gz MWWJILBPWGVFPI-SSDOTTSWSA-N 1 0 214.269 -1.006 20 0 BAADRO NC(=O)NC[C@@H]1CCCCN1C(=O)C[NH3+] ZINC000261580293 487546853 /nfs/dbraw/zinc/54/68/53/487546853.db2.gz MWWJILBPWGVFPI-ZETCQYMHSA-N 1 0 214.269 -1.006 20 0 BAADRO [NH3+]CCN(CCO)CCN1CCCC1=O ZINC000261582071 135222283 /nfs/dbraw/zinc/22/22/83/135222283.db2.gz OBSVANAWPHVIPJ-UHFFFAOYSA-N 1 0 215.297 -1.138 20 0 BAADRO Cn1nncc1S(=O)(=O)NCC(C)(C)[NH3+] ZINC000261584800 135226167 /nfs/dbraw/zinc/22/61/67/135226167.db2.gz PZWTWPYDKPJJPA-UHFFFAOYSA-N 1 0 233.297 -1.169 20 0 BAADRO C[C@H](C[NH3+])NC(=O)CN1CCCS1(=O)=O ZINC000261588224 135229147 /nfs/dbraw/zinc/22/91/47/135229147.db2.gz SEIVGIYYHJYABR-SSDOTTSWSA-N 1 0 235.309 -1.515 20 0 BAADRO C[C@@H](C[NH3+])NC(=O)CN1CCCS1(=O)=O ZINC000261588225 135229529 /nfs/dbraw/zinc/22/95/29/135229529.db2.gz SEIVGIYYHJYABR-ZETCQYMHSA-N 1 0 235.309 -1.515 20 0 BAADRO CC1(C)CN(S(=O)(=O)NCC[NH3+])CCO1 ZINC000261588230 535359121 /nfs/dbraw/zinc/35/91/21/535359121.db2.gz SESWQLGUGNPAMO-UHFFFAOYSA-N 1 0 237.325 -1.110 20 0 BAADRO [NH3+]CCN(CCO)CC(=O)NCC1CC1 ZINC000261591387 135231708 /nfs/dbraw/zinc/23/17/08/135231708.db2.gz VEHMUJFWSFJJIN-UHFFFAOYSA-N 1 0 215.297 -1.234 20 0 BAADRO [NH3+][C@H]1C[C@H](NS(=O)(=O)N2CCOCC2)C1 ZINC000261597434 135236995 /nfs/dbraw/zinc/23/69/95/135236995.db2.gz ZBKARHIPUAEDAZ-ZKCHVHJHSA-N 1 0 235.309 -1.357 20 0 BAADRO C[C@@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000261598122 135237224 /nfs/dbraw/zinc/23/72/24/135237224.db2.gz ZLBOJDWZFYSWKJ-HLTSFMKQSA-N 1 0 213.281 -1.125 20 0 BAADRO Cn1nncc1S(=O)(=O)N[C@H](C[NH3+])C1CC1 ZINC000261618125 135244165 /nfs/dbraw/zinc/24/41/65/135244165.db2.gz BJCGIMGVQZBNTB-SSDOTTSWSA-N 1 0 245.308 -1.169 20 0 BAADRO Cn1nncc1S(=O)(=O)N[C@@H](C[NH3+])C1CC1 ZINC000261618129 135244347 /nfs/dbraw/zinc/24/43/47/135244347.db2.gz BJCGIMGVQZBNTB-ZETCQYMHSA-N 1 0 245.308 -1.169 20 0 BAADRO CCC[NH2+]CCNC(=O)CN1CC(=O)NC1=O ZINC000261642154 135242599 /nfs/dbraw/zinc/24/25/99/135242599.db2.gz LBZFZDNWCCZJRF-UHFFFAOYSA-N 1 0 242.279 -1.346 20 0 BAADRO NC(=O)[C@@H]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)O1 ZINC000261645398 135242860 /nfs/dbraw/zinc/24/28/60/135242860.db2.gz GRAHRWGUFWLOCM-CIUDSAMLSA-N 1 0 241.291 -1.113 20 0 BAADRO NC(=O)[C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)O1 ZINC000261645401 135242929 /nfs/dbraw/zinc/24/29/29/135242929.db2.gz GRAHRWGUFWLOCM-HLTSFMKQSA-N 1 0 241.291 -1.113 20 0 BAADRO NC(=O)[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)O1 ZINC000261645405 135242885 /nfs/dbraw/zinc/24/28/85/135242885.db2.gz GRAHRWGUFWLOCM-VGMNWLOBSA-N 1 0 241.291 -1.113 20 0 BAADRO NC(=O)[C@@H]1CC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)O1 ZINC000261645408 135242857 /nfs/dbraw/zinc/24/28/57/135242857.db2.gz GRAHRWGUFWLOCM-YIZRAAEISA-N 1 0 241.291 -1.113 20 0 BAADRO C[C@@H]([NH3+])C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000261664713 135243294 /nfs/dbraw/zinc/24/32/94/135243294.db2.gz AESIMWQYWYTWRS-HTQZYQBOSA-N 1 0 249.336 -1.126 20 0 BAADRO C[C@@H]([NH3+])C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000261664715 135243738 /nfs/dbraw/zinc/24/37/38/135243738.db2.gz AESIMWQYWYTWRS-SFYZADRCSA-N 1 0 249.336 -1.126 20 0 BAADRO CNS(=O)(=O)CC(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000261665978 536356972 /nfs/dbraw/zinc/35/69/72/536356972.db2.gz FTUARVZOVSUYFI-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO CNS(=O)(=O)CC(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000261665979 135243465 /nfs/dbraw/zinc/24/34/65/135243465.db2.gz FTUARVZOVSUYFI-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO Cn1nncc1S(=O)(=O)N1CCC[C@@H]([NH3+])C1 ZINC000261668048 135244993 /nfs/dbraw/zinc/24/49/93/135244993.db2.gz JXQMAFDQLHOSST-SSDOTTSWSA-N 1 0 245.308 -1.073 20 0 BAADRO Cn1nncc1S(=O)(=O)N1CCC[C@H]([NH3+])C1 ZINC000261668049 135245372 /nfs/dbraw/zinc/24/53/72/135245372.db2.gz JXQMAFDQLHOSST-ZETCQYMHSA-N 1 0 245.308 -1.073 20 0 BAADRO Cn1nncc1S(=O)(=O)N1CCC[C@@H]1C[NH3+] ZINC000261668152 135245218 /nfs/dbraw/zinc/24/52/18/135245218.db2.gz KDDBSOSZQHACCE-SSDOTTSWSA-N 1 0 245.308 -1.073 20 0 BAADRO C[C@@H]([NH3+])C(=O)N(C)CC(=O)N1CCOCC1 ZINC000261668739 135110856 /nfs/dbraw/zinc/11/08/56/135110856.db2.gz AJVFRHROYDORIA-MRVPVSSYSA-N 1 0 229.280 -1.349 20 0 BAADRO C[C@@H]([NH3+])CC(=O)NCCN1CCCS1(=O)=O ZINC000261674366 135245380 /nfs/dbraw/zinc/24/53/80/135245380.db2.gz CXDGPOKDTIFZBS-MRVPVSSYSA-N 1 0 249.336 -1.125 20 0 BAADRO C[C@H]([NH3+])CC(=O)NCCN1CCCS1(=O)=O ZINC000261674369 135245403 /nfs/dbraw/zinc/24/54/03/135245403.db2.gz CXDGPOKDTIFZBS-QMMMGPOBSA-N 1 0 249.336 -1.125 20 0 BAADRO Cn1nncc1S(=O)(=O)N[C@@H]1CCC[NH2+]C1 ZINC000261738982 135249092 /nfs/dbraw/zinc/24/90/92/135249092.db2.gz ULKKXKIFYOYZFI-SSDOTTSWSA-N 1 0 245.308 -1.155 20 0 BAADRO Cn1nncc1S(=O)(=O)N[C@H]1CCC[NH2+]C1 ZINC000261738986 135248868 /nfs/dbraw/zinc/24/88/68/135248868.db2.gz ULKKXKIFYOYZFI-ZETCQYMHSA-N 1 0 245.308 -1.155 20 0 BAADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H](C)[NH3+] ZINC000261806533 135254734 /nfs/dbraw/zinc/25/47/34/135254734.db2.gz LMLVTEUSZYIRDH-HTQZYQBOSA-N 1 0 249.336 -1.126 20 0 BAADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H](C)[NH3+] ZINC000261806534 135254317 /nfs/dbraw/zinc/25/43/17/135254317.db2.gz LMLVTEUSZYIRDH-SFYZADRCSA-N 1 0 249.336 -1.126 20 0 BAADRO CS(=O)(=O)N1CCC[C@@H]1CNC(N)=[NH2+] ZINC000261845780 135257358 /nfs/dbraw/zinc/25/73/58/135257358.db2.gz LYZWBJHPMSHXTG-ZCFIWIBFSA-N 1 0 220.298 -1.107 20 0 BAADRO C[C@@H]1C[NH2+]CCN1CC(=O)N1CCNC(=O)C1 ZINC000261875260 135259309 /nfs/dbraw/zinc/25/93/09/135259309.db2.gz PTUYJZJEUMHGRL-SECBINFHSA-N 1 0 240.307 -1.762 20 0 BAADRO C[C@H]1C[NH2+]CCN1CC(=O)N1CCNC(=O)C1 ZINC000261875263 135259137 /nfs/dbraw/zinc/25/91/37/135259137.db2.gz PTUYJZJEUMHGRL-VIFPVBQESA-N 1 0 240.307 -1.762 20 0 BAADRO C[C@@H]([NH3+])C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000261885128 135259922 /nfs/dbraw/zinc/25/99/22/135259922.db2.gz SINVCGSFPRQXBV-MRVPVSSYSA-N 1 0 242.323 -1.258 20 0 BAADRO C[C@@H]([NH3+])C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000261893155 135261020 /nfs/dbraw/zinc/26/10/20/135261020.db2.gz XACKKEJSICQVLS-HTQZYQBOSA-N 1 0 249.336 -1.126 20 0 BAADRO CN1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1=O ZINC000261894011 135261254 /nfs/dbraw/zinc/26/12/54/135261254.db2.gz VVSMAIVIJWKWJF-HLTSFMKQSA-N 1 0 241.291 -1.160 20 0 BAADRO CN1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1=O ZINC000261894013 135261240 /nfs/dbraw/zinc/26/12/40/135261240.db2.gz VVSMAIVIJWKWJF-YIZRAAEISA-N 1 0 241.291 -1.160 20 0 BAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000261899547 536471900 /nfs/dbraw/zinc/47/19/00/536471900.db2.gz GKJLVGVIIKWHIJ-HTQZYQBOSA-N 1 0 249.336 -1.269 20 0 BAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261899548 536471884 /nfs/dbraw/zinc/47/18/84/536471884.db2.gz GKJLVGVIIKWHIJ-JGVFFNPUSA-N 1 0 249.336 -1.269 20 0 BAADRO CNS(=O)(=O)CC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000261899549 536471920 /nfs/dbraw/zinc/47/19/20/536471920.db2.gz GKJLVGVIIKWHIJ-SFYZADRCSA-N 1 0 249.336 -1.269 20 0 BAADRO CNS(=O)(=O)CC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000261899550 536471918 /nfs/dbraw/zinc/47/19/18/536471918.db2.gz GKJLVGVIIKWHIJ-YUMQZZPRSA-N 1 0 249.336 -1.269 20 0 BAADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](C)[NH3+])C1 ZINC000261901523 135261851 /nfs/dbraw/zinc/26/18/51/135261851.db2.gz ZAVBVPNEYHYJDJ-HTQZYQBOSA-N 1 0 249.336 -1.126 20 0 BAADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H](C)[NH3+])C1 ZINC000261901524 135261763 /nfs/dbraw/zinc/26/17/63/135261763.db2.gz ZAVBVPNEYHYJDJ-SFYZADRCSA-N 1 0 249.336 -1.126 20 0 BAADRO CN(CC(=O)NC[C@@H]([NH3+])C1CC1)S(C)(=O)=O ZINC000261925140 135263359 /nfs/dbraw/zinc/26/33/59/135263359.db2.gz JSLBYVXWEAXCGG-MRVPVSSYSA-N 1 0 249.336 -1.269 20 0 BAADRO CN(CC(=O)NC[C@H]([NH3+])C1CC1)S(C)(=O)=O ZINC000261925141 135263734 /nfs/dbraw/zinc/26/37/34/135263734.db2.gz JSLBYVXWEAXCGG-QMMMGPOBSA-N 1 0 249.336 -1.269 20 0 BAADRO CN1CC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1=O ZINC000261931939 536456809 /nfs/dbraw/zinc/45/68/09/536456809.db2.gz ZWODSRYYFBULMQ-HLTSFMKQSA-N 1 0 241.291 -1.160 20 0 BAADRO CN1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1=O ZINC000261931942 135264576 /nfs/dbraw/zinc/26/45/76/135264576.db2.gz ZWODSRYYFBULMQ-VGMNWLOBSA-N 1 0 241.291 -1.160 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000261957947 135266122 /nfs/dbraw/zinc/26/61/22/135266122.db2.gz RGWYUTJDAZTSEP-HTRCEHHLSA-N 1 0 249.336 -1.222 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000261957948 135266208 /nfs/dbraw/zinc/26/62/08/135266208.db2.gz RGWYUTJDAZTSEP-POYBYMJQSA-N 1 0 249.336 -1.222 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000261957949 135265887 /nfs/dbraw/zinc/26/58/87/135265887.db2.gz RGWYUTJDAZTSEP-SVRRBLITSA-N 1 0 249.336 -1.222 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000261957950 135265998 /nfs/dbraw/zinc/26/59/98/135265998.db2.gz RGWYUTJDAZTSEP-XPUUQOCRSA-N 1 0 249.336 -1.222 20 0 BAADRO C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC000262014179 135272794 /nfs/dbraw/zinc/27/27/94/135272794.db2.gz HWIZETMIKHGHIG-BWZBUEFSSA-N 1 0 249.336 -1.128 20 0 BAADRO C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC000262014181 135272928 /nfs/dbraw/zinc/27/29/28/135272928.db2.gz HWIZETMIKHGHIG-FXQIFTODSA-N 1 0 249.336 -1.128 20 0 BAADRO C[C@@H]1C[NH2+]CCN1C(=O)CN1CC(=O)NC1=O ZINC000262021742 135272762 /nfs/dbraw/zinc/27/27/62/135272762.db2.gz MKWFYUUDFOKBAN-SSDOTTSWSA-N 1 0 240.263 -1.642 20 0 BAADRO C[C@H]1C[NH2+]CCN1C(=O)CN1CC(=O)NC1=O ZINC000262021749 135273396 /nfs/dbraw/zinc/27/33/96/135273396.db2.gz MKWFYUUDFOKBAN-ZETCQYMHSA-N 1 0 240.263 -1.642 20 0 BAADRO C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@@H]([NH3+])C1 ZINC000262026199 135273707 /nfs/dbraw/zinc/27/37/07/135273707.db2.gz JEDGCITWBPLULD-HTQZYQBOSA-N 1 0 249.336 -1.174 20 0 BAADRO C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@@H]([NH3+])C1 ZINC000262026201 135273959 /nfs/dbraw/zinc/27/39/59/135273959.db2.gz JEDGCITWBPLULD-JGVFFNPUSA-N 1 0 249.336 -1.174 20 0 BAADRO C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@H]([NH3+])C1 ZINC000262026202 135274212 /nfs/dbraw/zinc/27/42/12/135274212.db2.gz JEDGCITWBPLULD-SFYZADRCSA-N 1 0 249.336 -1.174 20 0 BAADRO C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@H]([NH3+])C1 ZINC000262026204 135273777 /nfs/dbraw/zinc/27/37/77/135273777.db2.gz JEDGCITWBPLULD-YUMQZZPRSA-N 1 0 249.336 -1.174 20 0 BAADRO C[NH2+]CCC(=O)NCCN1CCCS1(=O)=O ZINC000262027174 135274277 /nfs/dbraw/zinc/27/42/77/135274277.db2.gz DMHZFGVIRSSPIH-UHFFFAOYSA-N 1 0 249.336 -1.252 20 0 BAADRO O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCN(CCO)CC1 ZINC000262036646 135274931 /nfs/dbraw/zinc/27/49/31/135274931.db2.gz KQZULGRLZQZEAS-VHSXEESVSA-N 1 0 245.298 -1.177 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000262044969 135275730 /nfs/dbraw/zinc/27/57/30/135275730.db2.gz UBODGQUBGPHIPK-SFYZADRCSA-N 1 0 249.336 -1.208 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000262044976 135276019 /nfs/dbraw/zinc/27/60/19/135276019.db2.gz UBODGQUBGPHIPK-YUMQZZPRSA-N 1 0 249.336 -1.208 20 0 BAADRO Cn1nncc1S(=O)(=O)NCC1([NH3+])CCC1 ZINC000262127753 135280601 /nfs/dbraw/zinc/28/06/01/135280601.db2.gz WLMAWQMGLABNCL-UHFFFAOYSA-N 1 0 245.308 -1.025 20 0 BAADRO C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@@H]1CC[NH2+]C1 ZINC000262131495 135280618 /nfs/dbraw/zinc/28/06/18/135280618.db2.gz WWFNVJGVYHXLLV-HTQZYQBOSA-N 1 0 249.336 -1.256 20 0 BAADRO C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@@H]1CC[NH2+]C1 ZINC000262131498 135280630 /nfs/dbraw/zinc/28/06/30/135280630.db2.gz WWFNVJGVYHXLLV-JGVFFNPUSA-N 1 0 249.336 -1.256 20 0 BAADRO C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@H]1CC[NH2+]C1 ZINC000262131500 135280864 /nfs/dbraw/zinc/28/08/64/135280864.db2.gz WWFNVJGVYHXLLV-SFYZADRCSA-N 1 0 249.336 -1.256 20 0 BAADRO C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@H]1CC[NH2+]C1 ZINC000262131502 135280241 /nfs/dbraw/zinc/28/02/41/135280241.db2.gz WWFNVJGVYHXLLV-YUMQZZPRSA-N 1 0 249.336 -1.256 20 0 BAADRO Cn1nncc1S(=O)(=O)NC[C@@H]([NH3+])C1CC1 ZINC000262144421 135281290 /nfs/dbraw/zinc/28/12/90/135281290.db2.gz YEPCZKFUEHVBLG-SSDOTTSWSA-N 1 0 245.308 -1.169 20 0 BAADRO Cn1nncc1S(=O)(=O)NC[C@H]([NH3+])C1CC1 ZINC000262144425 135281485 /nfs/dbraw/zinc/28/14/85/135281485.db2.gz YEPCZKFUEHVBLG-ZETCQYMHSA-N 1 0 245.308 -1.169 20 0 BAADRO NC(=O)CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000262148949 135282197 /nfs/dbraw/zinc/28/21/97/135282197.db2.gz QWOILPCAMDPIIT-GMSGAONNSA-N 1 0 211.265 -1.022 20 0 BAADRO CN(CC(=O)N1CCOCC1)C(=O)C1C[NH2+]C1 ZINC000262170555 135284108 /nfs/dbraw/zinc/28/41/08/135284108.db2.gz CKPQEAJZRKKLTQ-UHFFFAOYSA-N 1 0 241.291 -1.477 20 0 BAADRO C[NH2+]CCC(=O)N(C)CC(=O)N1CCOCC1 ZINC000262182453 135117098 /nfs/dbraw/zinc/11/70/98/135117098.db2.gz LDFOGYRAIGNTBK-UHFFFAOYSA-N 1 0 243.307 -1.087 20 0 BAADRO COC[C@H]([NH3+])C(=O)NCCN1CCOC[C@@H]1C ZINC000262202341 536861575 /nfs/dbraw/zinc/86/15/75/536861575.db2.gz DEXCVKMOMCHPAN-UWVGGRQHSA-N 1 0 245.323 -1.203 20 0 BAADRO COC[C@H]([NH3+])C(=O)NCCN1CCOC[C@H]1C ZINC000262202343 536862504 /nfs/dbraw/zinc/86/25/04/536862504.db2.gz DEXCVKMOMCHPAN-ZJUUUORDSA-N 1 0 245.323 -1.203 20 0 BAADRO C[C@H](C[NH3+])C(=O)N(C)CC(=O)N1CCOCC1 ZINC000262220713 135285239 /nfs/dbraw/zinc/28/52/39/135285239.db2.gz PDLDTOQUFYSJPH-SECBINFHSA-N 1 0 243.307 -1.102 20 0 BAADRO C[C@@H](C[NH3+])C(=O)N(C)CC(=O)N1CCOCC1 ZINC000262220715 135285430 /nfs/dbraw/zinc/28/54/30/135285430.db2.gz PDLDTOQUFYSJPH-VIFPVBQESA-N 1 0 243.307 -1.102 20 0 BAADRO Cn1nncc1S(=O)(=O)NC[C@H]1CCC[NH2+]1 ZINC000262229537 135286498 /nfs/dbraw/zinc/28/64/98/135286498.db2.gz GPAOOYBYLARJKG-SSDOTTSWSA-N 1 0 245.308 -1.155 20 0 BAADRO Cn1nncc1S(=O)(=O)NC[C@@H]1CCC[NH2+]1 ZINC000262229540 135286388 /nfs/dbraw/zinc/28/63/88/135286388.db2.gz GPAOOYBYLARJKG-ZETCQYMHSA-N 1 0 245.308 -1.155 20 0 BAADRO COCCN1CCN(C(=O)C2C[NH2+]C2)CC1=O ZINC000262238760 135287653 /nfs/dbraw/zinc/28/76/53/135287653.db2.gz NOAOMKONFSDIAL-UHFFFAOYSA-N 1 0 241.291 -1.477 20 0 BAADRO C[C@H](C[NH3+])C(=O)NCCN1CCCS1(=O)=O ZINC000262251595 135288381 /nfs/dbraw/zinc/28/83/81/135288381.db2.gz SRKVHXOTJIBWLK-MRVPVSSYSA-N 1 0 249.336 -1.267 20 0 BAADRO C[C@@H](C[NH3+])C(=O)NCCN1CCCS1(=O)=O ZINC000262251596 135288136 /nfs/dbraw/zinc/28/81/36/135288136.db2.gz SRKVHXOTJIBWLK-QMMMGPOBSA-N 1 0 249.336 -1.267 20 0 BAADRO COC[C@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000262267280 135289197 /nfs/dbraw/zinc/28/91/97/135289197.db2.gz JZJORALKLJKPJJ-APPZFPTMSA-N 1 0 241.291 -1.160 20 0 BAADRO COC[C@H]([NH3+])C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000262267288 135288673 /nfs/dbraw/zinc/28/86/73/135288673.db2.gz JZJORALKLJKPJJ-CBAPKCEASA-N 1 0 241.291 -1.160 20 0 BAADRO CO[C@H](CNC(=O)CNC(=O)C[NH3+])C(C)C ZINC000262411596 135295267 /nfs/dbraw/zinc/29/52/67/135295267.db2.gz PIHFWNJFYKIAAG-MRVPVSSYSA-N 1 0 231.296 -1.152 20 0 BAADRO CO[C@@H](CNC(=O)CNC(=O)C[NH3+])C(C)C ZINC000262411597 135295291 /nfs/dbraw/zinc/29/52/91/135295291.db2.gz PIHFWNJFYKIAAG-QMMMGPOBSA-N 1 0 231.296 -1.152 20 0 BAADRO O=C(COC1C[NH2+]C1)N1CCN(CCO)CC1 ZINC000262454422 135300252 /nfs/dbraw/zinc/30/02/52/135300252.db2.gz WIBULCMUYWTGAM-UHFFFAOYSA-N 1 0 243.307 -1.889 20 0 BAADRO COCCN1C[C@H](C(=O)N[C@@H](C)C[NH3+])CC1=O ZINC000262510960 135303041 /nfs/dbraw/zinc/30/30/41/135303041.db2.gz DEVIOGBVEGTMOO-DTWKUNHWSA-N 1 0 243.307 -1.055 20 0 BAADRO COCCN1C[C@@H](C(=O)N[C@@H](C)C[NH3+])CC1=O ZINC000262511690 135303287 /nfs/dbraw/zinc/30/32/87/135303287.db2.gz DEVIOGBVEGTMOO-IUCAKERBSA-N 1 0 243.307 -1.055 20 0 BAADRO C[C@@H](C[NH3+])NC(=O)Cn1nc2ccccn2c1=O ZINC000262552613 175710865 /nfs/dbraw/zinc/71/08/65/175710865.db2.gz ZJDYMWZJULCZSJ-QMMMGPOBSA-N 1 0 249.274 -1.041 20 0 BAADRO C[C@H]1[NH2+]CCN(C(=O)Cn2cnnn2)[C@@H]1C ZINC000262733452 135315349 /nfs/dbraw/zinc/31/53/49/135315349.db2.gz BZCBPIUIPCKDLE-HTQZYQBOSA-N 1 0 224.268 -1.118 20 0 BAADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)Cn1cnnn1 ZINC000262733454 135315356 /nfs/dbraw/zinc/31/53/56/135315356.db2.gz BZCBPIUIPCKDLE-JGVFFNPUSA-N 1 0 224.268 -1.118 20 0 BAADRO C[C@H]1[NH2+]CCN(C(=O)Cn2cnnn2)[C@H]1C ZINC000262733455 135315208 /nfs/dbraw/zinc/31/52/08/135315208.db2.gz BZCBPIUIPCKDLE-SFYZADRCSA-N 1 0 224.268 -1.118 20 0 BAADRO C[C@@H]1[NH2+]CCN(C(=O)Cn2cnnn2)[C@H]1C ZINC000262733457 135315936 /nfs/dbraw/zinc/31/59/36/135315936.db2.gz BZCBPIUIPCKDLE-YUMQZZPRSA-N 1 0 224.268 -1.118 20 0 BAADRO CNS(=O)(=O)CC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000262798789 135318883 /nfs/dbraw/zinc/31/88/83/135318883.db2.gz OTBLUFTWLXRUEX-HTQZYQBOSA-N 1 0 249.336 -1.256 20 0 BAADRO CNS(=O)(=O)CC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000262798791 135319091 /nfs/dbraw/zinc/31/90/91/135319091.db2.gz OTBLUFTWLXRUEX-JGVFFNPUSA-N 1 0 249.336 -1.256 20 0 BAADRO CNS(=O)(=O)CC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000262798793 135319286 /nfs/dbraw/zinc/31/92/86/135319286.db2.gz OTBLUFTWLXRUEX-SFYZADRCSA-N 1 0 249.336 -1.256 20 0 BAADRO CNS(=O)(=O)CC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000262798794 135319045 /nfs/dbraw/zinc/31/90/45/135319045.db2.gz OTBLUFTWLXRUEX-YUMQZZPRSA-N 1 0 249.336 -1.256 20 0 BAADRO C[NH2+]CCN(C)C(=O)CN1C(=O)CN(C)C1=O ZINC000263254707 135342947 /nfs/dbraw/zinc/34/29/47/135342947.db2.gz QDFZMXOAAXAYMI-UHFFFAOYSA-N 1 0 242.279 -1.442 20 0 BAADRO CN(C)C(=O)CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000263261697 135343831 /nfs/dbraw/zinc/34/38/31/135343831.db2.gz SVNZRXCLJZKDFS-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO CN(C)C(=O)CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000263261699 135343618 /nfs/dbraw/zinc/34/36/18/135343618.db2.gz SVNZRXCLJZKDFS-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO CN(CCN1CCOCC1)C(=O)C1C[NH2+]C1 ZINC000263270106 135343588 /nfs/dbraw/zinc/34/35/88/135343588.db2.gz HZDYJVLCZLCNNK-UHFFFAOYSA-N 1 0 227.308 -1.004 20 0 BAADRO COC(=O)C[C@@H]1CN(C(=O)C2C[NH2+]C2)CCO1 ZINC000263298446 135345430 /nfs/dbraw/zinc/34/54/30/135345430.db2.gz MYSRMFQBXDFRRR-SECBINFHSA-N 1 0 242.275 -1.004 20 0 BAADRO COC(=O)C[C@H]1CN(C(=O)C2C[NH2+]C2)CCO1 ZINC000263298447 135345126 /nfs/dbraw/zinc/34/51/26/135345126.db2.gz MYSRMFQBXDFRRR-VIFPVBQESA-N 1 0 242.275 -1.004 20 0 BAADRO COCCN(CC(=O)OC)C(=O)C1C[NH2+]C1 ZINC000263298932 536822608 /nfs/dbraw/zinc/82/26/08/536822608.db2.gz NAEFCWZJGPUHKA-UHFFFAOYSA-N 1 0 230.264 -1.146 20 0 BAADRO CN(C)CC(=O)N(C1CC1)[C@H]1CC(=O)NC1=O ZINC000263911724 187331456 /nfs/dbraw/zinc/33/14/56/187331456.db2.gz VMJBUPGWUIPRAJ-QMMMGPOBSA-N 1 0 239.275 -1.046 20 0 BAADRO CCOC(=O)CN(C)C(=O)CN(C)CC(N)=O ZINC000264711369 170213355 /nfs/dbraw/zinc/21/33/55/170213355.db2.gz MMIBPJGTRYMBBD-UHFFFAOYSA-N 1 0 245.279 -1.575 20 0 BAADRO C[C@H](CNC(=O)CN1CC(=O)NC1=O)[NH+](C)C ZINC000264892910 386282340 /nfs/dbraw/zinc/28/23/40/386282340.db2.gz VSYNRKWKPFABAL-SSDOTTSWSA-N 1 0 242.279 -1.396 20 0 BAADRO C[C@@H](CNC(=O)CN1CC(=O)NC1=O)[NH+](C)C ZINC000264892911 386281185 /nfs/dbraw/zinc/28/11/85/386281185.db2.gz VSYNRKWKPFABAL-ZETCQYMHSA-N 1 0 242.279 -1.396 20 0 BAADRO COC(=O)C[C@@H](NC(=O)C[NH+](C)C)C(=O)OC ZINC000267228676 386513918 /nfs/dbraw/zinc/51/39/18/386513918.db2.gz VTJXXLSWCNSEDI-SSDOTTSWSA-N 1 0 246.263 -1.231 20 0 BAADRO COC(=O)C[C@H](NC(=O)C[NH+](C)C)C(=O)OC ZINC000267228678 386514137 /nfs/dbraw/zinc/51/41/37/386514137.db2.gz VTJXXLSWCNSEDI-ZETCQYMHSA-N 1 0 246.263 -1.231 20 0 BAADRO CC[C@H]([NH3+])C(=O)N[C@@H](CC(=O)OC)C(=O)OC ZINC000269046690 386741770 /nfs/dbraw/zinc/74/17/70/386741770.db2.gz GVXRDHWPFKVPSO-BQBZGAKWSA-N 1 0 246.263 -1.055 20 0 BAADRO CC[C@H]([NH3+])C(=O)N[C@H](CC(=O)OC)C(=O)OC ZINC000269047769 386740641 /nfs/dbraw/zinc/74/06/41/386740641.db2.gz GVXRDHWPFKVPSO-NKWVEPMBSA-N 1 0 246.263 -1.055 20 0 BAADRO C[NH+](C)C1CN(C(=O)Cn2cnnn2)C1 ZINC000270956143 135173865 /nfs/dbraw/zinc/17/38/65/135173865.db2.gz QFZUXZUTRVCOLZ-UHFFFAOYSA-N 1 0 210.241 -1.555 20 0 BAADRO Cn1cnn(CC(=O)NCCC[NH+](C)C)c1=O ZINC000271308880 385817464 /nfs/dbraw/zinc/81/74/64/385817464.db2.gz UWUBRPRWJRZUGO-UHFFFAOYSA-N 1 0 241.295 -1.350 20 0 BAADRO CN(CC[NH+](C)C)C(=O)Cn1ncn(C)c1=O ZINC000272342946 385896034 /nfs/dbraw/zinc/89/60/34/385896034.db2.gz PAYBWJXOWVKSQZ-UHFFFAOYSA-N 1 0 241.295 -1.398 20 0 BAADRO Cn1cnn(CC(=O)N2CC([NH+](C)C)C2)c1=O ZINC000272387603 397978747 /nfs/dbraw/zinc/97/87/47/397978747.db2.gz XDPCLYOQUVSAHC-UHFFFAOYSA-N 1 0 239.279 -1.646 20 0 BAADRO C[C@H](CC(N)=O)[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000272620587 385918669 /nfs/dbraw/zinc/91/86/69/385918669.db2.gz YASAGAUAGGYYHE-SSDOTTSWSA-N 1 0 239.279 -1.007 20 0 BAADRO C[C@@H](CC(N)=O)[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000272620588 385918653 /nfs/dbraw/zinc/91/86/53/385918653.db2.gz YASAGAUAGGYYHE-ZETCQYMHSA-N 1 0 239.279 -1.007 20 0 BAADRO CN(C[C@H](O)CO)C(=O)/C=C/C[NH+](C)C ZINC000273836262 172396739 /nfs/dbraw/zinc/39/67/39/172396739.db2.gz LRTDGOMYAXTBNT-MOVJSRMASA-N 1 0 216.281 -1.084 20 0 BAADRO CCCCOC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC000274444460 386105411 /nfs/dbraw/zinc/10/54/11/386105411.db2.gz QZQWAVZYKXBHTM-UHFFFAOYSA-N 1 0 245.279 -1.479 20 0 BAADRO C[C@H](C[NH3+])NC(=O)Cn1nc2ccccn2c1=O ZINC000274478988 386109664 /nfs/dbraw/zinc/10/96/64/386109664.db2.gz ZJDYMWZJULCZSJ-MRVPVSSYSA-N 1 0 249.274 -1.041 20 0 BAADRO C[NH+](C)C/C=C/C(=O)NC(C)(CO)CO ZINC000274725965 172399247 /nfs/dbraw/zinc/39/92/47/172399247.db2.gz BAIAVFPRHCBYFH-SNAWJCMRSA-N 1 0 216.281 -1.036 20 0 BAADRO CNC(=O)NC(=O)C[N@H+](C)CCCO ZINC000281842797 173286423 /nfs/dbraw/zinc/28/64/23/173286423.db2.gz NALVMZMMTAGLIB-UHFFFAOYSA-N 1 0 203.242 -1.244 20 0 BAADRO CNC(=O)C1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC000285079610 173225773 /nfs/dbraw/zinc/22/57/73/173225773.db2.gz PQRIHUISIWXQHV-JTQLQIEISA-N 1 0 238.291 -1.078 20 0 BAADRO CNC(=O)C1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC000285079614 173226101 /nfs/dbraw/zinc/22/61/01/173226101.db2.gz PQRIHUISIWXQHV-SNVBAGLBSA-N 1 0 238.291 -1.078 20 0 BAADRO C[C@@H]1C[N@@H+]([C@@H]2CC(=O)N(C)C2=O)C[C@H]1C(N)=O ZINC000285285585 176315651 /nfs/dbraw/zinc/31/56/51/176315651.db2.gz WYOBXSMAKZKJHH-BWZBUEFSSA-N 1 0 239.275 -1.203 20 0 BAADRO C[C@@H]1C[N@@H+]([C@H]2CC(=O)N(C)C2=O)C[C@H]1C(N)=O ZINC000285285587 176317946 /nfs/dbraw/zinc/31/79/46/176317946.db2.gz WYOBXSMAKZKJHH-PRJMDXOYSA-N 1 0 239.275 -1.203 20 0 BAADRO C[N@H+](C[C@@H](O)Cn1cccn1)[C@@H]1COC[C@H]1O ZINC000285684039 385955635 /nfs/dbraw/zinc/95/56/35/385955635.db2.gz UYKFUUYXPXHZCW-GMTAPVOTSA-N 1 0 241.291 -1.065 20 0 BAADRO C[N@H+](C[C@H](O)Cn1cccn1)[C@@H]1COC[C@H]1O ZINC000285684044 385954191 /nfs/dbraw/zinc/95/41/91/385954191.db2.gz UYKFUUYXPXHZCW-HBNTYKKESA-N 1 0 241.291 -1.065 20 0 BAADRO CC[N@H+](CCO)CCNC(=O)c1cnn(C)n1 ZINC000285926857 385978173 /nfs/dbraw/zinc/97/81/73/385978173.db2.gz APZMMIDGDRXJBJ-UHFFFAOYSA-N 1 0 241.295 -1.141 20 0 BAADRO CCNC(=O)NC(=O)C[N@H+](C)CCC(N)=O ZINC000286299618 170075633 /nfs/dbraw/zinc/07/56/33/170075633.db2.gz DIWPIIYUXOALTM-UHFFFAOYSA-N 1 0 230.268 -1.361 20 0 BAADRO C[C@@H](C[NH+](C)C)NC(=O)Cn1ncn(C)c1=O ZINC000286918964 386083334 /nfs/dbraw/zinc/08/33/34/386083334.db2.gz IHOSNQCJYJFMTF-QMMMGPOBSA-N 1 0 241.295 -1.352 20 0 BAADRO C[C@@H](C[NH+](C)C)NC(=O)Cn1cnnn1 ZINC000287182885 175696848 /nfs/dbraw/zinc/69/68/48/175696848.db2.gz LRRGNSOSRFANTP-ZETCQYMHSA-N 1 0 212.257 -1.261 20 0 BAADRO CNC(=O)NC(=O)C[NH2+][C@](C)(C(N)=O)C(C)C ZINC000289252805 173287734 /nfs/dbraw/zinc/28/77/34/173287734.db2.gz CLRINTHEFFKKIX-JTQLQIEISA-N 1 0 244.295 -1.068 20 0 BAADRO CNC(=O)NC(=O)C[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000289252807 173287715 /nfs/dbraw/zinc/28/77/15/173287715.db2.gz CLRINTHEFFKKIX-SNVBAGLBSA-N 1 0 244.295 -1.068 20 0 BAADRO CC[N@H+](CCO)CCNC(=O)c1ncn(C)n1 ZINC000290656649 386464259 /nfs/dbraw/zinc/46/42/59/386464259.db2.gz FUKHZYKXQSZVCN-UHFFFAOYSA-N 1 0 241.295 -1.141 20 0 BAADRO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CO ZINC000292162393 386628088 /nfs/dbraw/zinc/62/80/88/386628088.db2.gz LCDUYQIXOXIFKF-ZCFIWIBFSA-N 1 0 203.242 -1.116 20 0 BAADRO Cn1cnn(CCC(=O)NCC[NH+](C)C)c1=O ZINC000292547035 386689067 /nfs/dbraw/zinc/68/90/67/386689067.db2.gz AODFFTCCJAVVAH-UHFFFAOYSA-N 1 0 241.295 -1.350 20 0 BAADRO CCNC(=O)[C@@H]([NH2+]CC(=O)NC(N)=O)C(C)C ZINC000293365829 170090690 /nfs/dbraw/zinc/09/06/90/170090690.db2.gz UZNCGNMAYHPTCT-QMMMGPOBSA-N 1 0 244.295 -1.068 20 0 BAADRO CC[N@H+](CC(=O)NC(N)=O)[C@@H](C)CO ZINC000293395866 386812237 /nfs/dbraw/zinc/81/22/37/386812237.db2.gz LCDUYQIXOXIFKF-LURJTMIESA-N 1 0 203.242 -1.116 20 0 BAADRO C[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC000299891506 347150213 /nfs/dbraw/zinc/15/02/13/347150213.db2.gz VKIGBHPEGFOPOT-NKWVEPMBSA-N 1 0 215.253 -1.116 20 0 BAADRO C[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC000299891507 347150269 /nfs/dbraw/zinc/15/02/69/347150269.db2.gz VKIGBHPEGFOPOT-RNFRBKRXSA-N 1 0 215.253 -1.116 20 0 BAADRO CNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)CO)C1 ZINC000299963076 634405522 /nfs/dbraw/zinc/40/55/22/634405522.db2.gz RBXJLERRHALBDA-BDAKNGLRSA-N 1 0 216.281 -1.202 20 0 BAADRO CNC(=O)[C@H]1CCC[N@H+](C[C@H](O)CO)C1 ZINC000299963078 634405215 /nfs/dbraw/zinc/40/52/15/634405215.db2.gz RBXJLERRHALBDA-IUCAKERBSA-N 1 0 216.281 -1.202 20 0 BAADRO CN1CC[C@H]([NH+]2C[C@@H](O)[C@H](O)C2)C1=O ZINC000300058320 384284454 /nfs/dbraw/zinc/28/44/54/384284454.db2.gz APIMNJKYQJHFBC-XLPZGREQSA-N 1 0 200.238 -1.746 20 0 BAADRO COC(=O)[C@](C)(O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000300058493 384284155 /nfs/dbraw/zinc/28/41/55/384284155.db2.gz CGCFKEMSNKSIEY-ZXFLCMHBSA-N 1 0 219.237 -2.052 20 0 BAADRO C[C@H](C(=O)N(C)C)[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000300058545 135207508 /nfs/dbraw/zinc/20/75/08/135207508.db2.gz DJPMULLDIZIYFY-BWZBUEFSSA-N 1 0 202.254 -1.500 20 0 BAADRO CC(C)OC[C@H](O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000300058973 384285970 /nfs/dbraw/zinc/28/59/70/384285970.db2.gz JQJZWMCNBLOFSV-OPRDCNLKSA-N 1 0 219.281 -1.190 20 0 BAADRO O=C1NCCCC[C@@H]1[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000300059237 384285106 /nfs/dbraw/zinc/28/51/06/384285106.db2.gz MMRJHFMSRUYZCZ-DJLDLDEBSA-N 1 0 214.265 -1.308 20 0 BAADRO CCOC[C@H](O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000300059264 387541088 /nfs/dbraw/zinc/54/10/88/387541088.db2.gz NNXABJTYDMCEHV-IWSPIJDZSA-N 1 0 205.254 -1.579 20 0 BAADRO C[C@@H]([NH3+])[C@H]1CN(Cc2nnn(C)n2)CCO1 ZINC000300226438 411116764 /nfs/dbraw/zinc/11/67/64/411116764.db2.gz VWURVPJHCUCZCI-HTQZYQBOSA-N 1 0 226.284 -1.242 20 0 BAADRO Cn1cc(CN2CCN(C)C[C@H]2C[NH3+])nn1 ZINC000300226490 259326967 /nfs/dbraw/zinc/32/69/67/259326967.db2.gz XMSSMSVAWYSYAQ-SNVBAGLBSA-N 1 0 224.312 -1.110 20 0 BAADRO COC[C@@H]([NH3+])C(=O)NC[C@@H](O)C(F)(F)F ZINC000300356165 384354956 /nfs/dbraw/zinc/35/49/56/384354956.db2.gz YVOZVJHZPYNJKB-RFZPGFLSSA-N 1 0 230.186 -1.001 20 0 BAADRO COC[C@@H]([NH3+])C(=O)NC[C@H](O)C(F)(F)F ZINC000300356166 384355261 /nfs/dbraw/zinc/35/52/61/384355261.db2.gz YVOZVJHZPYNJKB-UHNVWZDZSA-N 1 0 230.186 -1.001 20 0 BAADRO CCN(CC[NH3+])CC(=O)NC(=O)NC ZINC000300794786 349325507 /nfs/dbraw/zinc/32/55/07/349325507.db2.gz HZSUBBAAFHOJLV-UHFFFAOYSA-N 1 0 202.258 -1.277 20 0 BAADRO CCN(CC[NH3+])CCC(=O)NC(N)=O ZINC000300838909 349357380 /nfs/dbraw/zinc/35/73/80/349357380.db2.gz QKEIRZQHRDWAOY-UHFFFAOYSA-N 1 0 202.258 -1.148 20 0 BAADRO C[N@H+](CCCO)CC(=O)N1CCNC1=O ZINC000300851293 384605583 /nfs/dbraw/zinc/60/55/83/384605583.db2.gz SSRFBOGOSCNXRG-UHFFFAOYSA-N 1 0 215.253 -1.148 20 0 BAADRO C[N@H+](CCCO)CCN1C(=O)CNC1=O ZINC000300853259 384609357 /nfs/dbraw/zinc/60/93/57/384609357.db2.gz TXZRQVIPBLPRHD-UHFFFAOYSA-N 1 0 215.253 -1.148 20 0 BAADRO CCN(CC[NH3+])CCN1C(=O)CNC1=O ZINC000300865261 388399814 /nfs/dbraw/zinc/39/98/14/388399814.db2.gz WBBNNIVSCNMFPT-UHFFFAOYSA-N 1 0 214.269 -1.181 20 0 BAADRO C[N@H+](CCCO)CCC(=O)NC(N)=O ZINC000300877849 410636778 /nfs/dbraw/zinc/63/67/78/410636778.db2.gz YNWZVFYAGQIWKO-UHFFFAOYSA-N 1 0 203.242 -1.114 20 0 BAADRO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCCO ZINC000300882962 384628833 /nfs/dbraw/zinc/62/88/33/384628833.db2.gz ZQVARYYPAAHSTR-LURJTMIESA-N 1 0 203.242 -1.116 20 0 BAADRO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCCO ZINC000300882964 384629675 /nfs/dbraw/zinc/62/96/75/384629675.db2.gz ZQVARYYPAAHSTR-ZCFIWIBFSA-N 1 0 203.242 -1.116 20 0 BAADRO CN(CCOCC[NH3+])C(=O)[C@H]1COCCO1 ZINC000300944182 388394891 /nfs/dbraw/zinc/39/48/91/388394891.db2.gz DWOILXLIBUBCEM-SECBINFHSA-N 1 0 232.280 -1.165 20 0 BAADRO CN(CCOCC[NH3+])C(=O)[C@@H]1COCCO1 ZINC000300944183 388395009 /nfs/dbraw/zinc/39/50/09/388395009.db2.gz DWOILXLIBUBCEM-VIFPVBQESA-N 1 0 232.280 -1.165 20 0 BAADRO COC(=O)[C@@](C)(O)C[N@H+](C)CCOCCO ZINC000301018219 384833645 /nfs/dbraw/zinc/83/36/45/384833645.db2.gz IRRAUTMCQVJQQK-JTQLQIEISA-N 1 0 235.280 -1.149 20 0 BAADRO COC(=O)[C@](C)(O)C[N@H+](C)CCOCCO ZINC000301018220 384831308 /nfs/dbraw/zinc/83/13/08/384831308.db2.gz IRRAUTMCQVJQQK-SNVBAGLBSA-N 1 0 235.280 -1.149 20 0 BAADRO C[N@H+](CCOCCO)CCC(=O)NC(N)=O ZINC000301019965 387252105 /nfs/dbraw/zinc/25/21/05/387252105.db2.gz JQEODZPWLNHYED-UHFFFAOYSA-N 1 0 233.268 -1.488 20 0 BAADRO CCNS(=O)(=O)N(C)CCOCC[NH3+] ZINC000301043860 363371661 /nfs/dbraw/zinc/37/16/61/363371661.db2.gz LWJWNRFENOEDEV-UHFFFAOYSA-N 1 0 225.314 -1.252 20 0 BAADRO CN(CCOCC[NH3+])Cc1nnn(C)n1 ZINC000301045694 383877347 /nfs/dbraw/zinc/87/73/47/383877347.db2.gz NXCGGLNCFRHYAU-UHFFFAOYSA-N 1 0 214.273 -1.383 20 0 BAADRO COCCS(=O)(=O)N(C)CCOCC[NH3+] ZINC000301048759 363382402 /nfs/dbraw/zinc/38/24/02/363382402.db2.gz QWYFKZRHGWCKLF-UHFFFAOYSA-N 1 0 240.325 -1.130 20 0 BAADRO CN(C)S(=O)(=O)N(C)CCOCC[NH3+] ZINC000301052455 363396286 /nfs/dbraw/zinc/39/62/86/363396286.db2.gz WFEUELNPMIROIA-UHFFFAOYSA-N 1 0 225.314 -1.300 20 0 BAADRO CC[N@H+](CCOCCO)[C@H](C)C(=O)NC(N)=O ZINC000302436908 385523321 /nfs/dbraw/zinc/52/33/21/385523321.db2.gz TWTZZBKNXMJPMB-MRVPVSSYSA-N 1 0 247.295 -1.099 20 0 BAADRO CC[N@H+](CCOCCO)[C@@H](C)C(=O)NC(N)=O ZINC000302436909 385524570 /nfs/dbraw/zinc/52/45/70/385524570.db2.gz TWTZZBKNXMJPMB-QMMMGPOBSA-N 1 0 247.295 -1.099 20 0 BAADRO C[N@H+](CCOCCO)CCN1C(=O)CNC1=O ZINC000302456476 385527013 /nfs/dbraw/zinc/52/70/13/385527013.db2.gz VVGFWCRNGDGPJC-UHFFFAOYSA-N 1 0 245.279 -1.521 20 0 BAADRO CCN(CC[NH3+])Cc1cc(=O)n(C)c(=O)n1C ZINC000302484546 384201311 /nfs/dbraw/zinc/20/13/11/384201311.db2.gz RHMOZVDQDFKCDZ-UHFFFAOYSA-N 1 0 240.307 -1.135 20 0 BAADRO CC(C)[N@H+](CCOCCO)CC(=O)NC(N)=O ZINC000302517931 385534868 /nfs/dbraw/zinc/53/48/68/385534868.db2.gz OKNOVNIEUHYELA-UHFFFAOYSA-N 1 0 247.295 -1.099 20 0 BAADRO Cn1c(=O)cc(C[N@H+](C)CCCO)n(C)c1=O ZINC000302530144 384540281 /nfs/dbraw/zinc/54/02/81/384540281.db2.gz XMRXDUJPSUNDKV-UHFFFAOYSA-N 1 0 241.291 -1.102 20 0 BAADRO Cn1ncc(C(=O)NC[C@](C)(O)C[NH+](C)C)n1 ZINC000302573945 592549649 /nfs/dbraw/zinc/54/96/49/592549649.db2.gz PUTBJVDSHIBASW-JTQLQIEISA-N 1 0 241.295 -1.143 20 0 BAADRO Cn1ncc(C(=O)NC[C@@](C)(O)C[NH+](C)C)n1 ZINC000302573947 592549516 /nfs/dbraw/zinc/54/95/16/592549516.db2.gz PUTBJVDSHIBASW-SNVBAGLBSA-N 1 0 241.295 -1.143 20 0 BAADRO CC[C@@H]([NH3+])C(=O)NCC(=O)N1CCOCC1 ZINC000303530001 350122731 /nfs/dbraw/zinc/12/27/31/350122731.db2.gz BDEBQPTYCONOJR-MRVPVSSYSA-N 1 0 229.280 -1.301 20 0 BAADRO CC[C@H]([NH3+])C(=O)NCC(=O)N1CCOCC1 ZINC000303530002 350122877 /nfs/dbraw/zinc/12/28/77/350122877.db2.gz BDEBQPTYCONOJR-QMMMGPOBSA-N 1 0 229.280 -1.301 20 0 BAADRO CC[NH2+]CC(=O)NCC(=O)N1CCOCC1 ZINC000303565597 635931023 /nfs/dbraw/zinc/93/10/23/635931023.db2.gz HHGBGJWCTZEKRO-UHFFFAOYSA-N 1 0 229.280 -1.429 20 0 BAADRO CC[N@H+](CCO)CCNS(C)(=O)=O ZINC000304006882 387027196 /nfs/dbraw/zinc/02/71/96/387027196.db2.gz TUMMDRRPDAXJKR-UHFFFAOYSA-N 1 0 210.299 -1.150 20 0 BAADRO CC(C)(O)C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000304024981 385534013 /nfs/dbraw/zinc/53/40/13/385534013.db2.gz ZARLFZKTZNSNOC-SSDOTTSWSA-N 1 0 202.254 -1.057 20 0 BAADRO CC(C)(O)C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000304024982 385097752 /nfs/dbraw/zinc/09/77/52/385097752.db2.gz ZARLFZKTZNSNOC-ZETCQYMHSA-N 1 0 202.254 -1.057 20 0 BAADRO CNS(=O)(=O)CCC[N@H+](C)CCO ZINC000304025952 387430903 /nfs/dbraw/zinc/43/09/03/387430903.db2.gz ZGZKUARVPJMSPF-UHFFFAOYSA-N 1 0 210.299 -1.150 20 0 BAADRO CNS(=O)(=O)CCC[N@@H+]1CC[C@H](O)C1 ZINC000304093171 387435435 /nfs/dbraw/zinc/43/54/35/387435435.db2.gz CWASEDFIIZRKSP-QMMMGPOBSA-N 1 0 222.310 -1.008 20 0 BAADRO CS(=O)(=O)N[C@@H]1CC[N@H+](CCCO)C1 ZINC000304204226 386238274 /nfs/dbraw/zinc/23/82/74/386238274.db2.gz BDUAESCCRBLQIK-MRVPVSSYSA-N 1 0 222.310 -1.008 20 0 BAADRO CS(=O)(=O)N[C@H]1CC[N@H+](CCCO)C1 ZINC000304204227 386238192 /nfs/dbraw/zinc/23/81/92/386238192.db2.gz BDUAESCCRBLQIK-QMMMGPOBSA-N 1 0 222.310 -1.008 20 0 BAADRO NC(=O)[C@@H]1CCC[N@@H+]1CCOCCO ZINC000304214060 181269829 /nfs/dbraw/zinc/26/98/29/181269829.db2.gz BEKSTTFUEKVAMM-QMMMGPOBSA-N 1 0 202.254 -1.055 20 0 BAADRO CC[N@H+](CCOCCO)CC(=O)NC(N)=O ZINC000304249258 387453532 /nfs/dbraw/zinc/45/35/32/387453532.db2.gz QJUSMUHZOADNJG-UHFFFAOYSA-N 1 0 233.268 -1.488 20 0 BAADRO O=C1CC[N@H+](CCOCCO)CCN1 ZINC000304354716 387468733 /nfs/dbraw/zinc/46/87/33/387468733.db2.gz ZVHQJTNPCIHBGI-UHFFFAOYSA-N 1 0 202.254 -1.183 20 0 BAADRO CC(C)[C@@](C)([NH2+]CC(=O)NC(N)=O)C(N)=O ZINC000304569498 192016507 /nfs/dbraw/zinc/01/65/07/192016507.db2.gz MIKHRQVXCCRZAG-SECBINFHSA-N 1 0 230.268 -1.329 20 0 BAADRO CC(C)[C@](C)([NH2+]CC(=O)NC(N)=O)C(N)=O ZINC000304569499 387492139 /nfs/dbraw/zinc/49/21/39/387492139.db2.gz MIKHRQVXCCRZAG-VIFPVBQESA-N 1 0 230.268 -1.329 20 0 BAADRO CNS(=O)(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000304611288 644921544 /nfs/dbraw/zinc/92/15/44/644921544.db2.gz RRYRALNZKUSOEW-SECBINFHSA-N 1 0 248.352 -1.570 20 0 BAADRO CNS(=O)(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000304611289 644922238 /nfs/dbraw/zinc/92/22/38/644922238.db2.gz RRYRALNZKUSOEW-VIFPVBQESA-N 1 0 248.352 -1.570 20 0 BAADRO NC(=O)NC(=O)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000304621386 350158905 /nfs/dbraw/zinc/15/89/05/350158905.db2.gz TXJRSSMCBZMGRX-JTQLQIEISA-N 1 0 226.280 -1.133 20 0 BAADRO NC(=O)NC(=O)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000304621387 352735583 /nfs/dbraw/zinc/73/55/83/352735583.db2.gz TXJRSSMCBZMGRX-SNVBAGLBSA-N 1 0 226.280 -1.133 20 0 BAADRO C[C@@H]1C[N@H+](CCCO)C[C@H](C(N)=O)O1 ZINC000305099227 388365107 /nfs/dbraw/zinc/36/51/07/388365107.db2.gz XBKCUBHANXNLNL-HTQZYQBOSA-N 1 0 202.254 -1.057 20 0 BAADRO C[C@@H]1C[N@H+](CCCO)C[C@@H](C(N)=O)O1 ZINC000305099228 388364808 /nfs/dbraw/zinc/36/48/08/388364808.db2.gz XBKCUBHANXNLNL-SFYZADRCSA-N 1 0 202.254 -1.057 20 0 BAADRO O[C@H](CN1CCOCC1)C[N@@H+]1CC[C@@H](O)C1 ZINC000305245164 183198367 /nfs/dbraw/zinc/19/83/67/183198367.db2.gz FIEVOLBZXKTURO-GHMZBOCLSA-N 1 0 230.308 -1.254 20 0 BAADRO O[C@@H](CN1CCOCC1)C[N@@H+]1CC[C@@H](O)C1 ZINC000305245165 183177291 /nfs/dbraw/zinc/17/72/91/183177291.db2.gz FIEVOLBZXKTURO-MNOVXSKESA-N 1 0 230.308 -1.254 20 0 BAADRO O[C@@H](CN1CCOCC1)C[N@@H+]1CC[C@H](O)C1 ZINC000305245166 183240496 /nfs/dbraw/zinc/24/04/96/183240496.db2.gz FIEVOLBZXKTURO-QWRGUYRKSA-N 1 0 230.308 -1.254 20 0 BAADRO O[C@H](CN1CCOCC1)C[N@@H+]1CC[C@H](O)C1 ZINC000305245167 183239321 /nfs/dbraw/zinc/23/93/21/183239321.db2.gz FIEVOLBZXKTURO-WDEREUQCSA-N 1 0 230.308 -1.254 20 0 BAADRO C[NH2+]CCCC(=O)NCC(=O)N1CCOCC1 ZINC000305557355 323104819 /nfs/dbraw/zinc/10/48/19/323104819.db2.gz MYDWEOGYKPHAKC-UHFFFAOYSA-N 1 0 243.307 -1.039 20 0 BAADRO CC(C)[NH2+]CC(=O)NCC(=O)N1CCOCC1 ZINC000305557364 487575789 /nfs/dbraw/zinc/57/57/89/487575789.db2.gz NJZLVLDNTWIITO-UHFFFAOYSA-N 1 0 243.307 -1.041 20 0 BAADRO CNC(=O)NC(=O)CC[N@H+](C)CCOCCO ZINC000306025914 173286135 /nfs/dbraw/zinc/28/61/35/173286135.db2.gz OUTHLDIBWXYHCF-UHFFFAOYSA-N 1 0 247.295 -1.227 20 0 BAADRO COCCNC(=O)CNC(=O)[C@H]([NH3+])CC1CC1 ZINC000306103546 642721656 /nfs/dbraw/zinc/72/16/56/642721656.db2.gz QTOXPSBJVWNLOT-SECBINFHSA-N 1 0 243.307 -1.007 20 0 BAADRO COCCNC(=O)CNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000306103548 642721328 /nfs/dbraw/zinc/72/13/28/642721328.db2.gz QTOXPSBJVWNLOT-VIFPVBQESA-N 1 0 243.307 -1.007 20 0 BAADRO NS(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000306165879 371995050 /nfs/dbraw/zinc/99/50/50/371995050.db2.gz IOOHKJJPOYGRIU-BQBZGAKWSA-N 1 0 205.283 -1.126 20 0 BAADRO NS(=O)(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000306165884 371995545 /nfs/dbraw/zinc/99/55/45/371995545.db2.gz IOOHKJJPOYGRIU-NKWVEPMBSA-N 1 0 205.283 -1.126 20 0 BAADRO NS(=O)(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000306165886 371994731 /nfs/dbraw/zinc/99/47/31/371994731.db2.gz IOOHKJJPOYGRIU-RNFRBKRXSA-N 1 0 205.283 -1.126 20 0 BAADRO NS(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000306165890 398322788 /nfs/dbraw/zinc/32/27/88/398322788.db2.gz IOOHKJJPOYGRIU-RQJHMYQMSA-N 1 0 205.283 -1.126 20 0 BAADRO CNS(=O)(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000306174997 358984200 /nfs/dbraw/zinc/98/42/00/358984200.db2.gz MPZVMUCVDULAQF-SSDOTTSWSA-N 1 0 223.298 -1.500 20 0 BAADRO C[N@H+]1C[C@H]2[C@@H](CCN2S(N)(=O)=O)C1 ZINC000306219028 359336812 /nfs/dbraw/zinc/33/68/12/359336812.db2.gz FZGQCSXWMXBDAH-BQBZGAKWSA-N 1 0 205.283 -1.174 20 0 BAADRO C[N@@H+]1C[C@@H]2CCN(S(N)(=O)=O)[C@@H]2C1 ZINC000306219029 359337561 /nfs/dbraw/zinc/33/75/61/359337561.db2.gz FZGQCSXWMXBDAH-NKWVEPMBSA-N 1 0 205.283 -1.174 20 0 BAADRO C[N@@H+]1C[C@H]2CCN(S(N)(=O)=O)[C@@H]2C1 ZINC000306219030 359337153 /nfs/dbraw/zinc/33/71/53/359337153.db2.gz FZGQCSXWMXBDAH-RNFRBKRXSA-N 1 0 205.283 -1.174 20 0 BAADRO C[N@@H+]1C[C@H]2CCN(S(N)(=O)=O)[C@H]2C1 ZINC000306219031 359337465 /nfs/dbraw/zinc/33/74/65/359337465.db2.gz FZGQCSXWMXBDAH-RQJHMYQMSA-N 1 0 205.283 -1.174 20 0 BAADRO C[C@@H](O)C[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000306266604 387396542 /nfs/dbraw/zinc/39/65/42/387396542.db2.gz POKMKFVDYJVSOT-APPZFPTMSA-N 1 0 202.254 -1.321 20 0 BAADRO C[C@@H](O)C[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000306266606 387397591 /nfs/dbraw/zinc/39/75/91/387397591.db2.gz POKMKFVDYJVSOT-VXNVDRBHSA-N 1 0 202.254 -1.321 20 0 BAADRO CNC(=[NH2+])NCC(=O)N1CCOCC1 ZINC000306300792 642736586 /nfs/dbraw/zinc/73/65/86/642736586.db2.gz MCRLLUSKSWQNME-UHFFFAOYSA-N 1 0 200.242 -1.411 20 0 BAADRO C[NH+](C)[C@H]1CN(S(N)(=O)=O)C[C@@H]1O ZINC000306312374 384873822 /nfs/dbraw/zinc/87/38/22/384873822.db2.gz NIUUPLGVHVVJMR-WDSKDSINSA-N 1 0 209.271 -2.203 20 0 BAADRO NS(=O)(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000306318662 398324023 /nfs/dbraw/zinc/32/40/23/398324023.db2.gz ISVBFIFRFCUMFR-LURJTMIESA-N 1 0 209.271 -1.761 20 0 BAADRO NS(=O)(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000306318664 398324061 /nfs/dbraw/zinc/32/40/61/398324061.db2.gz ISVBFIFRFCUMFR-ZCFIWIBFSA-N 1 0 209.271 -1.761 20 0 BAADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CSCN1 ZINC000306326905 383906808 /nfs/dbraw/zinc/90/68/08/383906808.db2.gz XHQVDWMLSFFWPG-CWKFCGSDSA-N 1 0 213.306 -1.017 20 0 BAADRO NS(=O)(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000306340567 359643828 /nfs/dbraw/zinc/64/38/28/359643828.db2.gz LIAYYKNCLXHSJT-NKWVEPMBSA-N 1 0 205.283 -1.269 20 0 BAADRO C[C@H](O)C[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000306401035 388045974 /nfs/dbraw/zinc/04/59/74/388045974.db2.gz POKMKFVDYJVSOT-CBAPKCEASA-N 1 0 202.254 -1.321 20 0 BAADRO C[C@H](O)C[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000306401041 388046494 /nfs/dbraw/zinc/04/64/94/388046494.db2.gz POKMKFVDYJVSOT-IONNQARKSA-N 1 0 202.254 -1.321 20 0 BAADRO NS(=O)(=O)N1CC[NH+]2CCC1CC2 ZINC000306445633 384964432 /nfs/dbraw/zinc/96/44/32/384964432.db2.gz QXLDHSHDYKKQMD-UHFFFAOYSA-N 1 0 205.283 -1.030 20 0 BAADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CSCN1 ZINC000306500029 384065907 /nfs/dbraw/zinc/06/59/07/384065907.db2.gz XHQVDWMLSFFWPG-FKSUSPILSA-N 1 0 213.306 -1.017 20 0 BAADRO C[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)NC(N)=O ZINC000306639975 177337660 /nfs/dbraw/zinc/33/76/60/177337660.db2.gz OUTDAYQKVXFUBS-NTSWFWBYSA-N 1 0 201.226 -1.364 20 0 BAADRO C[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)NC(N)=O ZINC000306639976 176381099 /nfs/dbraw/zinc/38/10/99/176381099.db2.gz OUTDAYQKVXFUBS-PHDIDXHHSA-N 1 0 201.226 -1.364 20 0 BAADRO C[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)NC(N)=O ZINC000306639977 385136291 /nfs/dbraw/zinc/13/62/91/385136291.db2.gz OUTDAYQKVXFUBS-RITPCOANSA-N 1 0 201.226 -1.364 20 0 BAADRO C[C@H]1C[C@H](O)C[N@@H+]1CC(=O)NC(N)=O ZINC000306639978 177373568 /nfs/dbraw/zinc/37/35/68/177373568.db2.gz OUTDAYQKVXFUBS-WDSKDSINSA-N 1 0 201.226 -1.364 20 0 BAADRO CN(C)C(=O)CN1CCOC[C@@H](O)C1 ZINC000306732890 384668733 /nfs/dbraw/zinc/66/87/33/384668733.db2.gz MRHMXBZGMVOVTP-QMMMGPOBSA-N 1 0 202.254 -1.232 20 0 BAADRO C[C@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC000306754196 177243391 /nfs/dbraw/zinc/24/33/91/177243391.db2.gz MSLGCYNYDKEEDY-NTSWFWBYSA-N 1 0 201.226 -1.506 20 0 BAADRO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC000306754197 176283288 /nfs/dbraw/zinc/28/32/88/176283288.db2.gz MSLGCYNYDKEEDY-PHDIDXHHSA-N 1 0 201.226 -1.506 20 0 BAADRO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC000306754198 176282861 /nfs/dbraw/zinc/28/28/61/176282861.db2.gz MSLGCYNYDKEEDY-RITPCOANSA-N 1 0 201.226 -1.506 20 0 BAADRO C[C@H]1C[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC000306754199 177243707 /nfs/dbraw/zinc/24/37/07/177243707.db2.gz MSLGCYNYDKEEDY-WDSKDSINSA-N 1 0 201.226 -1.506 20 0 BAADRO OC[C@H](O)C[N@@H+]1CCC2(C1)OCCO2 ZINC000306855394 635976860 /nfs/dbraw/zinc/97/68/60/635976860.db2.gz VSNJJSYZDKKGDY-MRVPVSSYSA-N 1 0 203.238 -1.212 20 0 BAADRO OC[C@@H](O)C[N@@H+]1CCC2(C1)OCCO2 ZINC000306855395 635976282 /nfs/dbraw/zinc/97/62/82/635976282.db2.gz VSNJJSYZDKKGDY-QMMMGPOBSA-N 1 0 203.238 -1.212 20 0 BAADRO CNS(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000306891432 351304758 /nfs/dbraw/zinc/30/47/58/351304758.db2.gz WTSFANNYUCFXCA-RQJHMYQMSA-N 1 0 205.283 -1.256 20 0 BAADRO CNC(=O)CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000307202226 643422180 /nfs/dbraw/zinc/42/21/80/643422180.db2.gz COEFJINSAXTCLS-MRVPVSSYSA-N 1 0 203.217 -1.450 20 0 BAADRO CNC(=O)CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000307202228 643423097 /nfs/dbraw/zinc/42/30/97/643423097.db2.gz COEFJINSAXTCLS-QMMMGPOBSA-N 1 0 203.217 -1.450 20 0 BAADRO C[N@@H+]1CC[C@@](O)(CNS(C)(=O)=O)C1 ZINC000307212259 173137599 /nfs/dbraw/zinc/13/75/99/173137599.db2.gz VHNOFJCRPCWMFR-SSDOTTSWSA-N 1 0 208.283 -1.398 20 0 BAADRO C[N@@H+]1CC[C@](O)(CNS(C)(=O)=O)C1 ZINC000307212262 173166023 /nfs/dbraw/zinc/16/60/23/173166023.db2.gz VHNOFJCRPCWMFR-ZETCQYMHSA-N 1 0 208.283 -1.398 20 0 BAADRO CNS(=O)(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000307274714 351831066 /nfs/dbraw/zinc/83/10/66/351831066.db2.gz OAQVKDKNXMQXLX-JGVFFNPUSA-N 1 0 219.310 -1.008 20 0 BAADRO Cn1nncc1S(=O)(=O)NC1C[NH2+]C1 ZINC000307283983 411469504 /nfs/dbraw/zinc/46/95/04/411469504.db2.gz KNGPSXYMKGWXKA-UHFFFAOYSA-N 1 0 217.254 -1.935 20 0 BAADRO CC[C@@H]([NH3+])C(=O)NN1CC(=O)NC1=O ZINC000307305105 351931949 /nfs/dbraw/zinc/93/19/49/351931949.db2.gz CIIWELCAMCZVRB-SCSAIBSYSA-N 1 0 200.198 -1.693 20 0 BAADRO CS(=O)(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000307358985 352335597 /nfs/dbraw/zinc/33/55/97/352335597.db2.gz DFJPYHNGUPEYNN-SSDOTTSWSA-N 1 0 208.283 -1.086 20 0 BAADRO CS(=O)(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000307358991 352335569 /nfs/dbraw/zinc/33/55/69/352335569.db2.gz DFJPYHNGUPEYNN-ZETCQYMHSA-N 1 0 208.283 -1.086 20 0 BAADRO C[C@H](NC(=O)[C@]1(F)CC[NH2+]C1)C(N)=O ZINC000307392177 643458914 /nfs/dbraw/zinc/45/89/14/643458914.db2.gz XYMLXVUTSCERBO-XNCJUZBTSA-N 1 0 203.217 -1.322 20 0 BAADRO C[C@H](NC(=O)[C@@]1(F)CC[NH2+]C1)C(N)=O ZINC000307392178 643458012 /nfs/dbraw/zinc/45/80/12/643458012.db2.gz XYMLXVUTSCERBO-YLWLKBPMSA-N 1 0 203.217 -1.322 20 0 BAADRO NS(=O)(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000307531088 352638147 /nfs/dbraw/zinc/63/81/47/352638147.db2.gz WQLLXEYYJZRJLQ-SSDOTTSWSA-N 1 0 205.283 -1.125 20 0 BAADRO NS(=O)(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000307531090 352638215 /nfs/dbraw/zinc/63/82/15/352638215.db2.gz WQLLXEYYJZRJLQ-ZETCQYMHSA-N 1 0 205.283 -1.125 20 0 BAADRO COC(=O)[C@@](C)(O)C[N@H+](C)CCNC(C)=O ZINC000308120800 323130825 /nfs/dbraw/zinc/13/08/25/323130825.db2.gz HOCLBNUAEHKPAX-JTQLQIEISA-N 1 0 232.280 -1.022 20 0 BAADRO COC(=O)[C@](C)(O)C[N@H+](C)CCNC(C)=O ZINC000308120804 323130860 /nfs/dbraw/zinc/13/08/60/323130860.db2.gz HOCLBNUAEHKPAX-SNVBAGLBSA-N 1 0 232.280 -1.022 20 0 BAADRO C[C@@H](O)C[NH2+]CCS(=O)(=O)N(C)C ZINC000308132308 411496143 /nfs/dbraw/zinc/49/61/43/411496143.db2.gz FTFNSBPOGIIVQN-SSDOTTSWSA-N 1 0 210.299 -1.152 20 0 BAADRO C[C@H](O)C[NH2+]CCS(=O)(=O)N(C)C ZINC000308132309 346803755 /nfs/dbraw/zinc/80/37/55/346803755.db2.gz FTFNSBPOGIIVQN-ZETCQYMHSA-N 1 0 210.299 -1.152 20 0 BAADRO CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)CCNC(C)=O)C1 ZINC000308188607 346724075 /nfs/dbraw/zinc/72/40/75/346724075.db2.gz LTMIYYDTCIUYDP-VHSXEESVSA-N 1 0 243.307 -1.042 20 0 BAADRO CC(=O)NCCN(C)C(=O)CN1CC[NH2+]CC1 ZINC000308188816 398013400 /nfs/dbraw/zinc/01/34/00/398013400.db2.gz LYHUOKAPZKAUAW-UHFFFAOYSA-N 1 0 242.323 -1.514 20 0 BAADRO CC(=O)NCCN(C)C(=O)COC1(C)C[NH2+]C1 ZINC000308201265 411499730 /nfs/dbraw/zinc/49/97/30/411499730.db2.gz VHFQRTOHJBFQOF-UHFFFAOYSA-N 1 0 243.307 -1.041 20 0 BAADRO CC(=O)NCCN(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000308201973 411499775 /nfs/dbraw/zinc/49/97/75/411499775.db2.gz VVROGPFWKWUHMT-SECBINFHSA-N 1 0 229.280 -1.431 20 0 BAADRO CC(=O)NCCN(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000308201974 411500180 /nfs/dbraw/zinc/50/01/80/411500180.db2.gz VVROGPFWKWUHMT-VIFPVBQESA-N 1 0 229.280 -1.431 20 0 BAADRO COCC[NH2+]CC(=O)N(C)CCNC(C)=O ZINC000308203093 259339018 /nfs/dbraw/zinc/33/90/18/259339018.db2.gz WQGZQBHFPFWLMX-UHFFFAOYSA-N 1 0 231.296 -1.183 20 0 BAADRO C[C@@H](O)C[N@H+](C)CCCS(N)(=O)=O ZINC000308257235 385551935 /nfs/dbraw/zinc/55/19/35/385551935.db2.gz LIIVNACDKJODNU-SSDOTTSWSA-N 1 0 210.299 -1.022 20 0 BAADRO C[C@H](O)C[N@H+](C)CCCS(N)(=O)=O ZINC000308257236 385765464 /nfs/dbraw/zinc/76/54/64/385765464.db2.gz LIIVNACDKJODNU-ZETCQYMHSA-N 1 0 210.299 -1.022 20 0 BAADRO C[C@H](CCO)[NH2+]CCNS(C)(=O)=O ZINC000308258043 631227166 /nfs/dbraw/zinc/22/71/66/631227166.db2.gz MBCOMXZHRGYFJA-SSDOTTSWSA-N 1 0 210.299 -1.104 20 0 BAADRO C[C@@H](CCO)[NH2+]CCNS(C)(=O)=O ZINC000308258044 631226660 /nfs/dbraw/zinc/22/66/60/631226660.db2.gz MBCOMXZHRGYFJA-ZETCQYMHSA-N 1 0 210.299 -1.104 20 0 BAADRO CSC[C@@H](O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000308309187 386759710 /nfs/dbraw/zinc/75/97/10/386759710.db2.gz QAOGZKXZAVNDEY-BIIVOSGPSA-N 1 0 207.295 -1.252 20 0 BAADRO CSC[C@H](O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000308309189 386758729 /nfs/dbraw/zinc/75/87/29/386758729.db2.gz QAOGZKXZAVNDEY-BWZBUEFSSA-N 1 0 207.295 -1.252 20 0 BAADRO CSC[C@H](O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000308309191 384632268 /nfs/dbraw/zinc/63/22/68/384632268.db2.gz QAOGZKXZAVNDEY-CSMHCCOUSA-N 1 0 207.295 -1.252 20 0 BAADRO CSC[C@H](O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000308309193 386758866 /nfs/dbraw/zinc/75/88/66/386758866.db2.gz QAOGZKXZAVNDEY-PRJMDXOYSA-N 1 0 207.295 -1.252 20 0 BAADRO CO[C@@H]1CC[N@H+](CCS(N)(=O)=O)C1 ZINC000308329227 711521950 /nfs/dbraw/zinc/52/19/50/711521950.db2.gz HTHZSDNVFOXBSD-SSDOTTSWSA-N 1 0 208.283 -1.004 20 0 BAADRO COC[C@H](O)C[NH2+]CCNC(=O)OC ZINC000308329736 533116398 /nfs/dbraw/zinc/11/63/98/533116398.db2.gz JWBPRHBWXZVLTA-SSDOTTSWSA-N 1 0 206.242 -1.061 20 0 BAADRO COC[C@@H](O)C[NH2+]CCNC(=O)OC ZINC000308329737 229227100 /nfs/dbraw/zinc/22/71/00/229227100.db2.gz JWBPRHBWXZVLTA-ZETCQYMHSA-N 1 0 206.242 -1.061 20 0 BAADRO CC[N@H+](CCCO)CCS(N)(=O)=O ZINC000308373069 631312689 /nfs/dbraw/zinc/31/26/89/631312689.db2.gz QXCWWYCYASTHGG-UHFFFAOYSA-N 1 0 210.299 -1.021 20 0 BAADRO C[NH+](C)CCNC(=S)NCC(N)=O ZINC000308398221 711689018 /nfs/dbraw/zinc/68/90/18/711689018.db2.gz FUFZQUOYOFAGJE-UHFFFAOYSA-N 1 0 204.299 -1.503 20 0 BAADRO C[C@@H](CO)[N@H+](C)CCCS(N)(=O)=O ZINC000308422881 386090280 /nfs/dbraw/zinc/09/02/80/386090280.db2.gz ULNHUSQEOFXXSH-ZETCQYMHSA-N 1 0 210.299 -1.022 20 0 BAADRO C[NH+](C)CCNS(=O)(=O)C1COC1 ZINC000308433282 535891088 /nfs/dbraw/zinc/89/10/88/535891088.db2.gz UUUFUXDFRBGBSG-UHFFFAOYSA-N 1 0 208.283 -1.134 20 0 BAADRO CO[C@H](C)C[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000308453385 135420188 /nfs/dbraw/zinc/42/01/88/135420188.db2.gz CJSQQJBTPFNBLK-APPZFPTMSA-N 1 0 202.254 -1.057 20 0 BAADRO CO[C@@H](C)C[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000308453391 384728521 /nfs/dbraw/zinc/72/85/21/384728521.db2.gz CJSQQJBTPFNBLK-CBAPKCEASA-N 1 0 202.254 -1.057 20 0 BAADRO CO[C@@H](C)C[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000308453394 386300940 /nfs/dbraw/zinc/30/09/40/386300940.db2.gz CJSQQJBTPFNBLK-IONNQARKSA-N 1 0 202.254 -1.057 20 0 BAADRO CO[C@H](C)C[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000308453400 384729283 /nfs/dbraw/zinc/72/92/83/384729283.db2.gz CJSQQJBTPFNBLK-VXNVDRBHSA-N 1 0 202.254 -1.057 20 0 BAADRO CNS(=O)(=O)CC[NH2+][C@H](C)CCO ZINC000308479460 631357761 /nfs/dbraw/zinc/35/77/61/631357761.db2.gz MVDUBVCFDSKVLO-SSDOTTSWSA-N 1 0 210.299 -1.104 20 0 BAADRO CNS(=O)(=O)CC[NH2+][C@@H](C)CCO ZINC000308479467 631358141 /nfs/dbraw/zinc/35/81/41/631358141.db2.gz MVDUBVCFDSKVLO-ZETCQYMHSA-N 1 0 210.299 -1.104 20 0 BAADRO COCCOCCN(C)C[C@@H](O)C[NH3+] ZINC000308488757 174351408 /nfs/dbraw/zinc/35/14/08/174351408.db2.gz PMZFOYURPKVMGF-VIFPVBQESA-N 1 0 206.286 -1.099 20 0 BAADRO CC[C@@H](O)C[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000308507771 384772885 /nfs/dbraw/zinc/77/28/85/384772885.db2.gz QHNIDTVWQWCMID-APPZFPTMSA-N 1 0 202.254 -1.321 20 0 BAADRO CC[C@H](O)C[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000308507773 384772601 /nfs/dbraw/zinc/77/26/01/384772601.db2.gz QHNIDTVWQWCMID-CBAPKCEASA-N 1 0 202.254 -1.321 20 0 BAADRO CC[C@H](O)C[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000308507775 384771891 /nfs/dbraw/zinc/77/18/91/384771891.db2.gz QHNIDTVWQWCMID-IONNQARKSA-N 1 0 202.254 -1.321 20 0 BAADRO CC[C@@H](O)C[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000308507777 346880140 /nfs/dbraw/zinc/88/01/40/346880140.db2.gz QHNIDTVWQWCMID-VXNVDRBHSA-N 1 0 202.254 -1.321 20 0 BAADRO COCC[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000308510667 136216124 /nfs/dbraw/zinc/21/61/24/136216124.db2.gz RXFZTXWSYNJTEO-SECBINFHSA-N 1 0 202.254 -1.055 20 0 BAADRO COCC[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000308510669 136216132 /nfs/dbraw/zinc/21/61/32/136216132.db2.gz RXFZTXWSYNJTEO-VIFPVBQESA-N 1 0 202.254 -1.055 20 0 BAADRO C[C@@H]([NH3+])CN(C)CCC(=O)NC(N)=O ZINC000308513310 631409540 /nfs/dbraw/zinc/40/95/40/631409540.db2.gz TVDCWGJSOHBXGC-ZCFIWIBFSA-N 1 0 202.258 -1.150 20 0 BAADRO COC[C@H](O)C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000308515318 384323096 /nfs/dbraw/zinc/32/30/96/384323096.db2.gz DZGWISXXBVBZQN-IWSPIJDZSA-N 1 0 205.254 -1.315 20 0 BAADRO COC[C@H](O)C[N@H+](C)[C@H]1COC[C@@H]1O ZINC000308515319 386542482 /nfs/dbraw/zinc/54/24/82/386542482.db2.gz DZGWISXXBVBZQN-VGMNWLOBSA-N 1 0 205.254 -1.315 20 0 BAADRO COC[C@](C)(CCO)[NH2+]C[C@@H](O)CO ZINC000308546264 633747259 /nfs/dbraw/zinc/74/72/59/633747259.db2.gz VVDNYZSFHXQYHO-BDAKNGLRSA-N 1 0 207.270 -1.283 20 0 BAADRO COC[C@@](C)(CCO)[NH2+]C[C@H](O)CO ZINC000308546268 631336811 /nfs/dbraw/zinc/33/68/11/631336811.db2.gz VVDNYZSFHXQYHO-DTWKUNHWSA-N 1 0 207.270 -1.283 20 0 BAADRO COC[C@](C)(CCO)[NH2+]C[C@H](O)CO ZINC000308546271 631423777 /nfs/dbraw/zinc/42/37/77/631423777.db2.gz VVDNYZSFHXQYHO-IUCAKERBSA-N 1 0 207.270 -1.283 20 0 BAADRO COC[C@@](C)(CCO)[NH2+]C[C@@H](O)CO ZINC000308546274 631423383 /nfs/dbraw/zinc/42/33/83/631423383.db2.gz VVDNYZSFHXQYHO-RKDXNWHRSA-N 1 0 207.270 -1.283 20 0 BAADRO COC[C@]1(CNS(N)(=O)=O)CCC[NH2+]1 ZINC000308557989 491137046 /nfs/dbraw/zinc/13/70/46/491137046.db2.gz VGIAJPBCTKIDRP-SSDOTTSWSA-N 1 0 223.298 -1.452 20 0 BAADRO COC[C@@]1(CNS(N)(=O)=O)CCC[NH2+]1 ZINC000308557990 491136991 /nfs/dbraw/zinc/13/69/91/491136991.db2.gz VGIAJPBCTKIDRP-ZETCQYMHSA-N 1 0 223.298 -1.452 20 0 BAADRO CN(C)S(=O)(=O)CCN1CC[C@H]([NH3+])C1 ZINC000308566600 384817100 /nfs/dbraw/zinc/81/71/00/384817100.db2.gz ATYGZZRLEZAHSO-QMMMGPOBSA-N 1 0 221.326 -1.089 20 0 BAADRO C[C@H](C[NH3+])N(C)CCNS(C)(=O)=O ZINC000308571649 384813044 /nfs/dbraw/zinc/81/30/44/384813044.db2.gz KPZOVUSQKMDPRD-SSDOTTSWSA-N 1 0 209.315 -1.185 20 0 BAADRO C[C@@H](C[NH3+])N(C)CCNS(C)(=O)=O ZINC000308571650 384814420 /nfs/dbraw/zinc/81/44/20/384814420.db2.gz KPZOVUSQKMDPRD-ZETCQYMHSA-N 1 0 209.315 -1.185 20 0 BAADRO CNC(=O)C[N@@H+]1C[C@H](OC)C[C@H]1CO ZINC000308573371 136216147 /nfs/dbraw/zinc/21/61/47/136216147.db2.gz LKDLOCUMZLINKN-JGVFFNPUSA-N 1 0 202.254 -1.186 20 0 BAADRO CNC(=O)C[N@@H+]1C[C@@H](OC)C[C@H]1CO ZINC000308573373 136216142 /nfs/dbraw/zinc/21/61/42/136216142.db2.gz LKDLOCUMZLINKN-YUMQZZPRSA-N 1 0 202.254 -1.186 20 0 BAADRO CN(C)S(=O)(=O)CC[N@@H+]1CC[C@@H](O)C1 ZINC000308577603 384820234 /nfs/dbraw/zinc/82/02/34/384820234.db2.gz FDASIBNNFSOIFU-MRVPVSSYSA-N 1 0 222.310 -1.056 20 0 BAADRO CNC(=O)[C@@H]([NH2+]C[C@@H](O)CO)C(C)C ZINC000308607628 631343140 /nfs/dbraw/zinc/34/31/40/631343140.db2.gz PWNMBMMKEOMQCQ-SFYZADRCSA-N 1 0 204.270 -1.300 20 0 BAADRO CNC(=O)[C@@H]([NH2+]C[C@H](O)CO)C(C)C ZINC000308607629 631445021 /nfs/dbraw/zinc/44/50/21/631445021.db2.gz PWNMBMMKEOMQCQ-YUMQZZPRSA-N 1 0 204.270 -1.300 20 0 BAADRO CCOC[C@H](O)C[NH2+][C@@H]1COC[C@@H]1O ZINC000308642198 384882865 /nfs/dbraw/zinc/88/28/65/384882865.db2.gz DQVYPCVXENRWJA-HLTSFMKQSA-N 1 0 205.254 -1.267 20 0 BAADRO CCOC[C@H](O)C[NH2+][C@@H]1COC[C@H]1O ZINC000308642200 347941126 /nfs/dbraw/zinc/94/11/26/347941126.db2.gz DQVYPCVXENRWJA-IWSPIJDZSA-N 1 0 205.254 -1.267 20 0 BAADRO CN(CCC[NH3+])CCNS(C)(=O)=O ZINC000308682005 409902252 /nfs/dbraw/zinc/90/22/52/409902252.db2.gz XWJLLVJUQKXLNO-UHFFFAOYSA-N 1 0 209.315 -1.184 20 0 BAADRO CS(=O)(=O)N[C@@H]1CCCN(CC[NH3+])C1 ZINC000308685292 491137721 /nfs/dbraw/zinc/13/77/21/491137721.db2.gz ZDTGPRRMWFTUCL-MRVPVSSYSA-N 1 0 221.326 -1.041 20 0 BAADRO CS(=O)(=O)N[C@H]1CCCN(CC[NH3+])C1 ZINC000308685295 491137697 /nfs/dbraw/zinc/13/76/97/491137697.db2.gz ZDTGPRRMWFTUCL-QMMMGPOBSA-N 1 0 221.326 -1.041 20 0 BAADRO C[C@H](CO)C[NH2+]CCC(=O)NC(N)=O ZINC000308685767 348061308 /nfs/dbraw/zinc/06/13/08/348061308.db2.gz ZLLNZLDUPAQHKZ-LURJTMIESA-N 1 0 203.242 -1.211 20 0 BAADRO C[C@@H](CO)C[NH2+]CCC(=O)NC(N)=O ZINC000308685768 348061050 /nfs/dbraw/zinc/06/10/50/348061050.db2.gz ZLLNZLDUPAQHKZ-ZCFIWIBFSA-N 1 0 203.242 -1.211 20 0 BAADRO CN(C1CC1)S(=O)(=O)NC1C[NH2+]C1 ZINC000308734552 410740981 /nfs/dbraw/zinc/74/09/81/410740981.db2.gz KSPQZRAPBUDTKU-UHFFFAOYSA-N 1 0 205.283 -1.113 20 0 BAADRO CS(=O)(=O)NCC[NH2+][C@H](CO)C1CC1 ZINC000308750000 631562384 /nfs/dbraw/zinc/56/23/84/631562384.db2.gz TXRJHMFDFUKOPA-MRVPVSSYSA-N 1 0 222.310 -1.104 20 0 BAADRO CS(=O)(=O)NCC[NH2+][C@@H](CO)C1CC1 ZINC000308750001 631563206 /nfs/dbraw/zinc/56/32/06/631563206.db2.gz TXRJHMFDFUKOPA-QMMMGPOBSA-N 1 0 222.310 -1.104 20 0 BAADRO CO[C@@H](C)CS(=O)(=O)NC1C[NH2+]C1 ZINC000308760158 370160866 /nfs/dbraw/zinc/16/08/66/370160866.db2.gz XNZXZWPWBZMRDB-LURJTMIESA-N 1 0 208.283 -1.088 20 0 BAADRO CO[C@H](C)CS(=O)(=O)NC1C[NH2+]C1 ZINC000308760161 370161309 /nfs/dbraw/zinc/16/13/09/370161309.db2.gz XNZXZWPWBZMRDB-ZCFIWIBFSA-N 1 0 208.283 -1.088 20 0 BAADRO CCNC(=[NH2+])NCC(=O)N1CCOCC1 ZINC000308771026 631369046 /nfs/dbraw/zinc/36/90/46/631369046.db2.gz YQRSSJXKIHLWGI-UHFFFAOYSA-N 1 0 214.269 -1.021 20 0 BAADRO CN1CC[NH+]=C1NCCCNS(C)(=O)=O ZINC000308789549 631647783 /nfs/dbraw/zinc/64/77/83/631647783.db2.gz CLCSVKMNTKMTRU-UHFFFAOYSA-N 1 0 234.325 -1.183 20 0 BAADRO C[C@H](CC(N)=O)[NH2+]CCS(=O)(=O)N(C)C ZINC000308800514 385171685 /nfs/dbraw/zinc/17/16/85/385171685.db2.gz KSOLHPBBCQBJHK-SSDOTTSWSA-N 1 0 237.325 -1.269 20 0 BAADRO C[C@@H](CC(N)=O)[NH2+]CCS(=O)(=O)N(C)C ZINC000308800516 385169068 /nfs/dbraw/zinc/16/90/68/385169068.db2.gz KSOLHPBBCQBJHK-ZETCQYMHSA-N 1 0 237.325 -1.269 20 0 BAADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Cn1cnnn1 ZINC000308819444 385873501 /nfs/dbraw/zinc/87/35/01/385873501.db2.gz GCLMWWMEEVNEIW-NKWVEPMBSA-N 1 0 210.241 -1.460 20 0 BAADRO C[C@H]([NH3+])C(=O)NCCCN(C)S(C)(=O)=O ZINC000308823125 342873756 /nfs/dbraw/zinc/87/37/56/342873756.db2.gz HERKHFVSZVLMSG-ZETCQYMHSA-N 1 0 237.325 -1.269 20 0 BAADRO C[NH2+]C[C@@H](C)NS(=O)(=O)N1CCOCC1 ZINC000308836972 487690320 /nfs/dbraw/zinc/69/03/20/487690320.db2.gz LRGBQTNYCWCEKT-MRVPVSSYSA-N 1 0 237.325 -1.239 20 0 BAADRO C[NH2+]C[C@H](C)NS(=O)(=O)N1CCOCC1 ZINC000308836973 487546659 /nfs/dbraw/zinc/54/66/59/487546659.db2.gz LRGBQTNYCWCEKT-QMMMGPOBSA-N 1 0 237.325 -1.239 20 0 BAADRO C[NH2+]CC(=O)NCCCN(C)S(C)(=O)=O ZINC000308846121 346924219 /nfs/dbraw/zinc/92/42/19/346924219.db2.gz AHFGHJQZFMYFIC-UHFFFAOYSA-N 1 0 237.325 -1.397 20 0 BAADRO OC[C@H]([NH2+][C@H]1COC[C@H]1O)[C@H]1CCCO1 ZINC000308853302 229253259 /nfs/dbraw/zinc/25/32/59/229253259.db2.gz HUGANLQPGIKUBK-AXTSPUMRSA-N 1 0 217.265 -1.124 20 0 BAADRO OC[C@H]([NH2+][C@@H]1COC[C@H]1O)[C@@H]1CCCO1 ZINC000308853307 183141302 /nfs/dbraw/zinc/14/13/02/183141302.db2.gz HUGANLQPGIKUBK-JLIMGVALSA-N 1 0 217.265 -1.124 20 0 BAADRO OC[C@H]([NH2+][C@H]1COC[C@H]1O)[C@@H]1CCCO1 ZINC000308853311 229253452 /nfs/dbraw/zinc/25/34/52/229253452.db2.gz HUGANLQPGIKUBK-QEYWKRMJSA-N 1 0 217.265 -1.124 20 0 BAADRO OC[C@H]([NH2+][C@@H]1COC[C@H]1O)[C@H]1CCCO1 ZINC000308853316 183141489 /nfs/dbraw/zinc/14/14/89/183141489.db2.gz HUGANLQPGIKUBK-SGIHWFKDSA-N 1 0 217.265 -1.124 20 0 BAADRO [NH3+]CCNC(=O)CCN1CCOC1=O ZINC000308859258 534630899 /nfs/dbraw/zinc/63/08/99/534630899.db2.gz UTNCLACEXKSNGG-UHFFFAOYSA-N 1 0 201.226 -1.096 20 0 BAADRO CC(C)NS(=O)(=O)CCNC(=O)C[NH3+] ZINC000308859371 167123076 /nfs/dbraw/zinc/12/30/76/167123076.db2.gz QYXYDYSRYMPEEV-UHFFFAOYSA-N 1 0 223.298 -1.611 20 0 BAADRO NC(=O)NC(=O)C[NH2+][C@H](CCO)C1CC1 ZINC000308859721 631698651 /nfs/dbraw/zinc/69/86/51/631698651.db2.gz ZEJOMXDALRMOSM-SSDOTTSWSA-N 1 0 215.253 -1.068 20 0 BAADRO NC(=O)NC(=O)C[NH2+][C@@H](CCO)C1CC1 ZINC000308859722 631699052 /nfs/dbraw/zinc/69/90/52/631699052.db2.gz ZEJOMXDALRMOSM-ZETCQYMHSA-N 1 0 215.253 -1.068 20 0 BAADRO CC[NH2+]CCNC(=O)CS(=O)(=O)NC ZINC000308864249 170114925 /nfs/dbraw/zinc/11/49/25/170114925.db2.gz DASYMFGFWJZBEQ-UHFFFAOYSA-N 1 0 223.298 -1.739 20 0 BAADRO NC(=O)CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000308871755 631698512 /nfs/dbraw/zinc/69/85/12/631698512.db2.gz KGFNYWMRUTXAOI-MRVPVSSYSA-N 1 0 203.217 -1.320 20 0 BAADRO NC(=O)CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000308871757 631699955 /nfs/dbraw/zinc/69/99/55/631699955.db2.gz KGFNYWMRUTXAOI-QMMMGPOBSA-N 1 0 203.217 -1.320 20 0 BAADRO COC(=O)NCC(=O)N[C@H]1CC[NH2+]C1 ZINC000308873292 711572648 /nfs/dbraw/zinc/57/26/48/711572648.db2.gz LWNQYFJGHRLNSN-LURJTMIESA-N 1 0 201.226 -1.180 20 0 BAADRO COC(=O)NCC(=O)N[C@@H]1CC[NH2+]C1 ZINC000308873294 711572517 /nfs/dbraw/zinc/57/25/17/711572517.db2.gz LWNQYFJGHRLNSN-ZCFIWIBFSA-N 1 0 201.226 -1.180 20 0 BAADRO NC(=O)C1([NH2+]CCN2CCOCC2)CC1 ZINC000308877801 181213487 /nfs/dbraw/zinc/21/34/87/181213487.db2.gz OGFJFTLNSKFWEU-UHFFFAOYSA-N 1 0 213.281 -1.074 20 0 BAADRO CC(C)[N@H+](C)C[C@@H](O)CNC(CO)CO ZINC000308878011 487691618 /nfs/dbraw/zinc/69/16/18/487691618.db2.gz UWLYYTYYIJSIIY-JTQLQIEISA-N 1 0 220.313 -1.370 20 0 BAADRO CC(C)[N@H+](C)C[C@H](O)CNC(CO)CO ZINC000308878014 487570072 /nfs/dbraw/zinc/57/00/72/487570072.db2.gz UWLYYTYYIJSIIY-SNVBAGLBSA-N 1 0 220.313 -1.370 20 0 BAADRO C[C@@H]1C[NH+]=C(NCCCNS(C)(=O)=O)N1 ZINC000308888817 632090184 /nfs/dbraw/zinc/09/01/84/632090184.db2.gz QNORDUUPWSGNHE-SSDOTTSWSA-N 1 0 234.325 -1.137 20 0 BAADRO C[C@H]1C[NH+]=C(NCCCNS(C)(=O)=O)N1 ZINC000308888818 631714834 /nfs/dbraw/zinc/71/48/34/631714834.db2.gz QNORDUUPWSGNHE-ZETCQYMHSA-N 1 0 234.325 -1.137 20 0 BAADRO O=c1nc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)[nH][nH]1 ZINC000308901210 633832582 /nfs/dbraw/zinc/83/25/82/633832582.db2.gz BVMFPPFHICGVMP-BQBZGAKWSA-N 1 0 209.253 -1.251 20 0 BAADRO O=c1nc(CN2C[C@H]3C[NH2+]C[C@H]3C2)[nH][nH]1 ZINC000308901211 491140062 /nfs/dbraw/zinc/14/00/62/491140062.db2.gz BVMFPPFHICGVMP-KNVOCYPGSA-N 1 0 209.253 -1.251 20 0 BAADRO O=c1nc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)[nH][nH]1 ZINC000308901214 491140079 /nfs/dbraw/zinc/14/00/79/491140079.db2.gz BVMFPPFHICGVMP-RNFRBKRXSA-N 1 0 209.253 -1.251 20 0 BAADRO CNC(=O)NC(=O)C[NH2+][C@H](CO)C1CC1 ZINC000308909441 632400544 /nfs/dbraw/zinc/40/05/44/632400544.db2.gz DJRYPGRYYKGVFC-SSDOTTSWSA-N 1 0 215.253 -1.198 20 0 BAADRO CNC(=O)NC(=O)C[NH2+][C@@H](CO)C1CC1 ZINC000308909442 632400120 /nfs/dbraw/zinc/40/01/20/632400120.db2.gz DJRYPGRYYKGVFC-ZETCQYMHSA-N 1 0 215.253 -1.198 20 0 BAADRO COC[C@@H](C)[NH2+]CC(=O)NCC(=O)OC ZINC000308963150 349258850 /nfs/dbraw/zinc/25/88/50/349258850.db2.gz SRNAWXUWLDFJQO-SSDOTTSWSA-N 1 0 218.253 -1.100 20 0 BAADRO COC[C@H](C)[NH2+]CC(=O)NCC(=O)OC ZINC000308963151 349259057 /nfs/dbraw/zinc/25/90/57/349259057.db2.gz SRNAWXUWLDFJQO-ZETCQYMHSA-N 1 0 218.253 -1.100 20 0 BAADRO CN(C)S(=O)(=O)NCC[NH2+][C@@H]1CCOC1 ZINC000308970528 536096114 /nfs/dbraw/zinc/09/61/14/536096114.db2.gz ZAUXUYLBQVUHGC-MRVPVSSYSA-N 1 0 237.325 -1.239 20 0 BAADRO CN(C)S(=O)(=O)NCC[NH2+][C@H]1CCOC1 ZINC000308970530 536096144 /nfs/dbraw/zinc/09/61/44/536096144.db2.gz ZAUXUYLBQVUHGC-QMMMGPOBSA-N 1 0 237.325 -1.239 20 0 BAADRO CCCNC(=O)CN(CC[NH3+])CCO ZINC000308971969 169221283 /nfs/dbraw/zinc/22/12/83/169221283.db2.gz FMJURPYLYUJRLI-UHFFFAOYSA-N 1 0 203.286 -1.234 20 0 BAADRO COCCOCCN(CC[NH3+])CCO ZINC000308983808 174353932 /nfs/dbraw/zinc/35/39/32/174353932.db2.gz JCHIWWJRXAMEAR-UHFFFAOYSA-N 1 0 206.286 -1.098 20 0 BAADRO C[C@H](CC[NH3+])NC(=O)[C@H]1COCCN1 ZINC000308995446 385337885 /nfs/dbraw/zinc/33/78/85/385337885.db2.gz MIPMNNDTITXQEU-HTQZYQBOSA-N 1 0 201.270 -1.172 20 0 BAADRO C[C@](O)(CO)CNC(=O)Cn1ccnc1 ZINC000309006491 385356905 /nfs/dbraw/zinc/35/69/05/385356905.db2.gz NIGDVLXWFIBLTA-SECBINFHSA-N 1 0 213.237 -1.257 20 0 BAADRO C[C@@](O)(CO)CNC(=O)Cn1ccnc1 ZINC000309006493 385356626 /nfs/dbraw/zinc/35/66/26/385356626.db2.gz NIGDVLXWFIBLTA-VIFPVBQESA-N 1 0 213.237 -1.257 20 0 BAADRO CC[N@H+](C)C[C@@H](O)Cn1ncn(C)c1=O ZINC000309015527 349304136 /nfs/dbraw/zinc/30/41/36/349304136.db2.gz QVFJVMLJYUBNFB-MRVPVSSYSA-N 1 0 214.269 -1.106 20 0 BAADRO CC[N@H+](C)C[C@H](O)Cn1ncn(C)c1=O ZINC000309015528 349303871 /nfs/dbraw/zinc/30/38/71/349303871.db2.gz QVFJVMLJYUBNFB-QMMMGPOBSA-N 1 0 214.269 -1.106 20 0 BAADRO COCCNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000309023593 385939698 /nfs/dbraw/zinc/93/96/98/385939698.db2.gz WNGDUJJPIRCCAO-MRVPVSSYSA-N 1 0 238.309 -1.459 20 0 BAADRO COCCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000309023594 385366373 /nfs/dbraw/zinc/36/63/73/385366373.db2.gz WNGDUJJPIRCCAO-QMMMGPOBSA-N 1 0 238.309 -1.459 20 0 BAADRO CC(C)[C@H](O)C[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000309037458 385375650 /nfs/dbraw/zinc/37/56/50/385375650.db2.gz HCBMWLKVSOIGSP-PSASIEDQSA-N 1 0 216.281 -1.075 20 0 BAADRO CC(C)[C@H](O)C[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000309037459 385375794 /nfs/dbraw/zinc/37/57/94/385375794.db2.gz HCBMWLKVSOIGSP-SCZZXKLOSA-N 1 0 216.281 -1.075 20 0 BAADRO CC(C)[C@@H](O)C[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000309037460 385376240 /nfs/dbraw/zinc/37/62/40/385376240.db2.gz HCBMWLKVSOIGSP-WCBMZHEXSA-N 1 0 216.281 -1.075 20 0 BAADRO CC(C)[C@@H](O)C[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000309037461 188165797 /nfs/dbraw/zinc/16/57/97/188165797.db2.gz HCBMWLKVSOIGSP-WPRPVWTQSA-N 1 0 216.281 -1.075 20 0 BAADRO CCOC(=O)CN1CC[C@](O)(C(N)=O)C1 ZINC000309039614 170221315 /nfs/dbraw/zinc/22/13/15/170221315.db2.gz IUNVUMUHZOURQN-SECBINFHSA-N 1 0 216.237 -1.528 20 0 BAADRO OCCN(CCO)C[C@H](O)C[NH+]1CCCC1 ZINC000309056117 631833096 /nfs/dbraw/zinc/83/30/96/631833096.db2.gz GCKQFCLFBHHOGR-LLVKDONJSA-N 1 0 232.324 -1.270 20 0 BAADRO OCCN(CCO)C[C@@H](O)C[NH+]1CCCC1 ZINC000309056118 631832519 /nfs/dbraw/zinc/83/25/19/631832519.db2.gz GCKQFCLFBHHOGR-NSHDSACASA-N 1 0 232.324 -1.270 20 0 BAADRO C[C@H](CO)[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000309059209 385395848 /nfs/dbraw/zinc/39/58/48/385395848.db2.gz MBHFHLLQELBRPZ-GHMZBOCLSA-N 1 0 232.324 -1.008 20 0 BAADRO C[C@H](CO)[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000309059211 385395890 /nfs/dbraw/zinc/39/58/90/385395890.db2.gz MBHFHLLQELBRPZ-MNOVXSKESA-N 1 0 232.324 -1.008 20 0 BAADRO C[C@@H](CO)[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000309059213 385395681 /nfs/dbraw/zinc/39/56/81/385395681.db2.gz MBHFHLLQELBRPZ-QWRGUYRKSA-N 1 0 232.324 -1.008 20 0 BAADRO C[C@@H](CO)[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000309059215 385396293 /nfs/dbraw/zinc/39/62/93/385396293.db2.gz MBHFHLLQELBRPZ-WDEREUQCSA-N 1 0 232.324 -1.008 20 0 BAADRO CCNS(=O)(=O)CC[NH2+][C@H](C)CC(N)=O ZINC000309064281 631829876 /nfs/dbraw/zinc/82/98/76/631829876.db2.gz YKTYXEPYSMESEH-SSDOTTSWSA-N 1 0 237.325 -1.221 20 0 BAADRO CCNS(=O)(=O)CC[NH2+][C@@H](C)CC(N)=O ZINC000309064282 631830495 /nfs/dbraw/zinc/83/04/95/631830495.db2.gz YKTYXEPYSMESEH-ZETCQYMHSA-N 1 0 237.325 -1.221 20 0 BAADRO NCC(F)(F)CNC(=O)COCC[NH3+] ZINC000309084636 488011034 /nfs/dbraw/zinc/01/10/34/488011034.db2.gz VROQDVLHNDPXJB-UHFFFAOYSA-N 1 0 211.212 -1.328 20 0 BAADRO CNS(=O)(=O)CC(=O)N(C)CCC[NH3+] ZINC000309088175 488011589 /nfs/dbraw/zinc/01/15/89/488011589.db2.gz AEEUNCARMQAHPU-UHFFFAOYSA-N 1 0 223.298 -1.657 20 0 BAADRO C[C@@H](O)C[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000309103410 487701516 /nfs/dbraw/zinc/70/15/16/487701516.db2.gz DGKDDOIRHRUVSO-GHMZBOCLSA-N 1 0 232.324 -1.008 20 0 BAADRO C[C@H](O)C[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000309103411 384557872 /nfs/dbraw/zinc/55/78/72/384557872.db2.gz DGKDDOIRHRUVSO-WDEREUQCSA-N 1 0 232.324 -1.008 20 0 BAADRO CNS(=O)(=O)CC(=O)N(C)[C@@H](C)C[NH3+] ZINC000309104676 385424114 /nfs/dbraw/zinc/42/41/14/385424114.db2.gz HJNSXCMQXIPIHV-LURJTMIESA-N 1 0 223.298 -1.659 20 0 BAADRO CNS(=O)(=O)CC(=O)N(C)[C@H](C)C[NH3+] ZINC000309104677 385423792 /nfs/dbraw/zinc/42/37/92/385423792.db2.gz HJNSXCMQXIPIHV-ZCFIWIBFSA-N 1 0 223.298 -1.659 20 0 BAADRO CNS(=O)(=O)[C@@H]1CCCN(CC[NH3+])C1 ZINC000309114881 350033479 /nfs/dbraw/zinc/03/34/79/350033479.db2.gz LAYOINFDOKQIRH-MRVPVSSYSA-N 1 0 221.326 -1.041 20 0 BAADRO CNS(=O)(=O)[C@H]1CCCN(CC[NH3+])C1 ZINC000309114882 350033764 /nfs/dbraw/zinc/03/37/64/350033764.db2.gz LAYOINFDOKQIRH-QMMMGPOBSA-N 1 0 221.326 -1.041 20 0 BAADRO CCS(=O)(=O)N(C)CC(=O)NCC[NH3+] ZINC000309127102 385429830 /nfs/dbraw/zinc/42/98/30/385429830.db2.gz QDLSZEXYWHECNI-UHFFFAOYSA-N 1 0 223.298 -1.657 20 0 BAADRO CNS(=O)(=O)CCCN1CC[C@@H]([NH3+])C1 ZINC000309147041 385437441 /nfs/dbraw/zinc/43/74/41/385437441.db2.gz VKYAIKRPVXKBHU-MRVPVSSYSA-N 1 0 221.326 -1.041 20 0 BAADRO CNS(=O)(=O)CCCN1CC[C@H]([NH3+])C1 ZINC000309147042 385438529 /nfs/dbraw/zinc/43/85/29/385438529.db2.gz VKYAIKRPVXKBHU-QMMMGPOBSA-N 1 0 221.326 -1.041 20 0 BAADRO CO[C@H](C[NH3+])C(=O)NCC(F)(F)CN ZINC000309148197 350106940 /nfs/dbraw/zinc/10/69/40/350106940.db2.gz VSRLNEASIDTPLV-RXMQYKEDSA-N 1 0 211.212 -1.330 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)NCC(F)(F)CN ZINC000309148198 350106878 /nfs/dbraw/zinc/10/68/78/350106878.db2.gz VSRLNEASIDTPLV-YFKPBYRVSA-N 1 0 211.212 -1.330 20 0 BAADRO COC[C@@](C)(NC(=O)C[NH3+])C(=O)OC ZINC000309160528 385444021 /nfs/dbraw/zinc/44/40/21/385444021.db2.gz YVQVFULWPXWXSI-MRVPVSSYSA-N 1 0 204.226 -1.361 20 0 BAADRO COC[C@](C)(NC(=O)C[NH3+])C(=O)OC ZINC000309160529 385444029 /nfs/dbraw/zinc/44/40/29/385444029.db2.gz YVQVFULWPXWXSI-QMMMGPOBSA-N 1 0 204.226 -1.361 20 0 BAADRO CCNC(=O)C[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000309174725 136217676 /nfs/dbraw/zinc/21/76/76/136217676.db2.gz BRSLRXGNOAPVSG-JTQLQIEISA-N 1 0 229.280 -1.565 20 0 BAADRO CCNC(=O)C[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000309174726 136217821 /nfs/dbraw/zinc/21/78/21/136217821.db2.gz BRSLRXGNOAPVSG-SNVBAGLBSA-N 1 0 229.280 -1.565 20 0 BAADRO CC(C)[N@H+](C)C[C@H](O)CN1C[C@H](O)[C@@H](O)C1 ZINC000309211532 346990541 /nfs/dbraw/zinc/99/05/41/346990541.db2.gz DQUXCVNWJSOJOT-DCAQKATOSA-N 1 0 232.324 -1.275 20 0 BAADRO CC(C)[N@H+](C)C[C@H](O)CN1C[C@@H](O)[C@@H](O)C1 ZINC000309211533 487780050 /nfs/dbraw/zinc/78/00/50/487780050.db2.gz DQUXCVNWJSOJOT-GARJFASQSA-N 1 0 232.324 -1.275 20 0 BAADRO CC(C)[N@H+](C)C[C@@H](O)CN1C[C@@H](O)[C@@H](O)C1 ZINC000309211537 487779971 /nfs/dbraw/zinc/77/99/71/487779971.db2.gz DQUXCVNWJSOJOT-MXWKQRLJSA-N 1 0 232.324 -1.275 20 0 BAADRO CC[C@H](CO)[NH2+]CC(=O)N1CCNC1=O ZINC000309220193 632822134 /nfs/dbraw/zinc/82/21/34/632822134.db2.gz VBXNXYSSPBWKRW-SSDOTTSWSA-N 1 0 215.253 -1.101 20 0 BAADRO CC[C@@H](CO)[NH2+]CC(=O)N1CCNC1=O ZINC000309220196 631969234 /nfs/dbraw/zinc/96/92/34/631969234.db2.gz VBXNXYSSPBWKRW-ZETCQYMHSA-N 1 0 215.253 -1.101 20 0 BAADRO CCC[C@H](NC(=O)[C@H]1C[NH2+]CCO1)C(N)=O ZINC000309228466 385490970 /nfs/dbraw/zinc/49/09/70/385490970.db2.gz SIPCLGYHULRUNE-JGVFFNPUSA-N 1 0 229.280 -1.255 20 0 BAADRO CCC[C@H](NC(=O)[C@@H]1C[NH2+]CCO1)C(N)=O ZINC000309228468 398116925 /nfs/dbraw/zinc/11/69/25/398116925.db2.gz SIPCLGYHULRUNE-YUMQZZPRSA-N 1 0 229.280 -1.255 20 0 BAADRO CCOC(=O)CC[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000309238609 170206107 /nfs/dbraw/zinc/20/61/07/170206107.db2.gz VYMATGOSVGTSJX-JTQLQIEISA-N 1 0 230.264 -1.138 20 0 BAADRO CCOC(=O)CC[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000309238610 170206866 /nfs/dbraw/zinc/20/68/66/170206866.db2.gz VYMATGOSVGTSJX-SNVBAGLBSA-N 1 0 230.264 -1.138 20 0 BAADRO CC(C)(NS(C)(=O)=O)C(=O)NCCC[NH3+] ZINC000309242587 187271007 /nfs/dbraw/zinc/27/10/07/187271007.db2.gz BBYBVTUUUKYVBU-UHFFFAOYSA-N 1 0 237.325 -1.221 20 0 BAADRO CC[N@H+](C)C[C@@H](O)CN1CCOC[C@H]1CO ZINC000309244591 410908755 /nfs/dbraw/zinc/90/87/55/410908755.db2.gz LQOOGIYXADBLRE-GHMZBOCLSA-N 1 0 232.324 -1.008 20 0 BAADRO CC[N@H+](C)C[C@H](O)CN1CCOC[C@H]1CO ZINC000309244593 410634094 /nfs/dbraw/zinc/63/40/94/410634094.db2.gz LQOOGIYXADBLRE-MNOVXSKESA-N 1 0 232.324 -1.008 20 0 BAADRO CN(C)C(=O)C[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000309271367 172365635 /nfs/dbraw/zinc/36/56/35/172365635.db2.gz GIEVWVNNNVVAJD-JTQLQIEISA-N 1 0 229.280 -1.613 20 0 BAADRO CN(C)C(=O)C[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000309271370 172366260 /nfs/dbraw/zinc/36/62/60/172366260.db2.gz GIEVWVNNNVVAJD-SNVBAGLBSA-N 1 0 229.280 -1.613 20 0 BAADRO CC(C)([NH3+])CNC(=O)CCNS(C)(=O)=O ZINC000309271546 350248132 /nfs/dbraw/zinc/24/81/32/350248132.db2.gz LEPCMJJACOAPSM-UHFFFAOYSA-N 1 0 237.325 -1.221 20 0 BAADRO CC[C@H](C(N)=O)[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000309272130 171245052 /nfs/dbraw/zinc/24/50/52/171245052.db2.gz GKLBQKKIUHVNRN-GMSGAONNSA-N 1 0 229.280 -1.438 20 0 BAADRO CC[C@H](C(N)=O)[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000309272136 171245388 /nfs/dbraw/zinc/24/53/88/171245388.db2.gz GKLBQKKIUHVNRN-XCBNKYQSSA-N 1 0 229.280 -1.438 20 0 BAADRO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000309272139 384511784 /nfs/dbraw/zinc/51/17/84/384511784.db2.gz GKLBQKKIUHVNRN-XVKPBYJWSA-N 1 0 229.280 -1.438 20 0 BAADRO CC(C)(C)NS(=O)(=O)CCNC(=O)C[NH3+] ZINC000309304398 350276411 /nfs/dbraw/zinc/27/64/11/350276411.db2.gz VDJHZDKZIXNZAK-UHFFFAOYSA-N 1 0 237.325 -1.221 20 0 BAADRO NC(=O)[C@@]1(O)CC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000309345216 181275817 /nfs/dbraw/zinc/27/58/17/181275817.db2.gz WGWXSAVVKDWFJK-CAHLUQPWSA-N 1 0 242.197 -1.168 20 0 BAADRO NC(=O)[C@]1(O)CC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000309345218 181284585 /nfs/dbraw/zinc/28/45/85/181284585.db2.gz WGWXSAVVKDWFJK-FSPLSTOPSA-N 1 0 242.197 -1.168 20 0 BAADRO NC(=O)[C@@]1(O)CC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000309345220 181276231 /nfs/dbraw/zinc/27/62/31/181276231.db2.gz WGWXSAVVKDWFJK-IYSWYEEDSA-N 1 0 242.197 -1.168 20 0 BAADRO NC(=O)[C@]1(O)CC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000309345222 181284832 /nfs/dbraw/zinc/28/48/32/181284832.db2.gz WGWXSAVVKDWFJK-VDTYLAMSSA-N 1 0 242.197 -1.168 20 0 BAADRO C[C@@H](C[NH3+])N(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC000309368935 385556790 /nfs/dbraw/zinc/55/67/90/385556790.db2.gz BSGVZVUDUABUPT-BQBZGAKWSA-N 1 0 237.325 -1.270 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000309368937 175709019 /nfs/dbraw/zinc/70/90/19/175709019.db2.gz BSGVZVUDUABUPT-NKWVEPMBSA-N 1 0 237.325 -1.270 20 0 BAADRO C[C@H](C[NH3+])N(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC000309368940 385556445 /nfs/dbraw/zinc/55/64/45/385556445.db2.gz BSGVZVUDUABUPT-RNFRBKRXSA-N 1 0 237.325 -1.270 20 0 BAADRO C[C@H](C[NH3+])N(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC000309369582 385553830 /nfs/dbraw/zinc/55/38/30/385553830.db2.gz BSGVZVUDUABUPT-RQJHMYQMSA-N 1 0 237.325 -1.270 20 0 BAADRO C[C@H]([NH3+])CNS(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000309386406 411120911 /nfs/dbraw/zinc/12/09/11/411120911.db2.gz FCBWRQFPRYBBEO-BQBZGAKWSA-N 1 0 237.325 -1.270 20 0 BAADRO C[C@H](C(=O)N(C)C)S(=O)(=O)NC[C@H](C)[NH3+] ZINC000309386409 411120495 /nfs/dbraw/zinc/12/04/95/411120495.db2.gz FCBWRQFPRYBBEO-NKWVEPMBSA-N 1 0 237.325 -1.270 20 0 BAADRO C[C@@H]([NH3+])CNS(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000309386410 411120827 /nfs/dbraw/zinc/12/08/27/411120827.db2.gz FCBWRQFPRYBBEO-RNFRBKRXSA-N 1 0 237.325 -1.270 20 0 BAADRO C[C@@H]([NH3+])CNS(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000309386412 411120922 /nfs/dbraw/zinc/12/09/22/411120922.db2.gz FCBWRQFPRYBBEO-RQJHMYQMSA-N 1 0 237.325 -1.270 20 0 BAADRO C[C@@H]([NH3+])CCNC(=O)CN(C)S(C)(=O)=O ZINC000309389770 385559310 /nfs/dbraw/zinc/55/93/10/385559310.db2.gz FPDHJMIBOKXORQ-SSDOTTSWSA-N 1 0 237.325 -1.269 20 0 BAADRO C[C@H]([NH3+])CCNC(=O)CN(C)S(C)(=O)=O ZINC000309389776 385559122 /nfs/dbraw/zinc/55/91/22/385559122.db2.gz FPDHJMIBOKXORQ-ZETCQYMHSA-N 1 0 237.325 -1.269 20 0 BAADRO CN(CCC[NH3+])C(=O)CCNS(C)(=O)=O ZINC000309389975 411120566 /nfs/dbraw/zinc/12/05/66/411120566.db2.gz FQFBFGQJYFEART-UHFFFAOYSA-N 1 0 237.325 -1.267 20 0 BAADRO CCS(=O)(=O)NCCCNC(=O)CC[NH3+] ZINC000309391506 385559045 /nfs/dbraw/zinc/55/90/45/385559045.db2.gz FYEUWAMWVINREH-UHFFFAOYSA-N 1 0 237.325 -1.219 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)N(C)CCC[NH3+] ZINC000309394857 411163506 /nfs/dbraw/zinc/16/35/06/411163506.db2.gz GLNLFXMSVLRECV-SSDOTTSWSA-N 1 0 237.325 -1.269 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)N(C)CCC[NH3+] ZINC000309394858 411162594 /nfs/dbraw/zinc/16/25/94/411162594.db2.gz GLNLFXMSVLRECV-ZETCQYMHSA-N 1 0 237.325 -1.269 20 0 BAADRO C[C@H](CN(CC[NH3+])CCO)CS(C)(=O)=O ZINC000309397145 384012806 /nfs/dbraw/zinc/01/28/06/384012806.db2.gz GSMDHAWNRRILCR-SECBINFHSA-N 1 0 238.353 -1.080 20 0 BAADRO C[C@@H](CN(CC[NH3+])CCO)CS(C)(=O)=O ZINC000309397146 385562764 /nfs/dbraw/zinc/56/27/64/385562764.db2.gz GSMDHAWNRRILCR-VIFPVBQESA-N 1 0 238.353 -1.080 20 0 BAADRO CN(CCC[NH3+])C(=O)CN(C)S(C)(=O)=O ZINC000309401429 411241846 /nfs/dbraw/zinc/24/18/46/411241846.db2.gz HJXYOFMIWQLKNJ-UHFFFAOYSA-N 1 0 237.325 -1.315 20 0 BAADRO CCS(=O)(=O)NCCCNC(=O)[C@@H](C)[NH3+] ZINC000309415978 385575178 /nfs/dbraw/zinc/57/51/78/385575178.db2.gz JEBZJCJVMGKKPT-SSDOTTSWSA-N 1 0 237.325 -1.221 20 0 BAADRO CCS(=O)(=O)NCCCNC(=O)[C@H](C)[NH3+] ZINC000309415979 385574737 /nfs/dbraw/zinc/57/47/37/385574737.db2.gz JEBZJCJVMGKKPT-ZETCQYMHSA-N 1 0 237.325 -1.221 20 0 BAADRO C[C@@H]([NH3+])CNC(=O)CN1CCCNC1=O ZINC000309417923 410941010 /nfs/dbraw/zinc/94/10/10/410941010.db2.gz JNJCMEHGMGZVKW-SSDOTTSWSA-N 1 0 214.269 -1.135 20 0 BAADRO C[C@H]([NH3+])CNC(=O)CN1CCCNC1=O ZINC000309417925 411307107 /nfs/dbraw/zinc/30/71/07/411307107.db2.gz JNJCMEHGMGZVKW-ZETCQYMHSA-N 1 0 214.269 -1.135 20 0 BAADRO CNS(=O)(=O)CCCN(CC[NH3+])CCO ZINC000309444093 385584224 /nfs/dbraw/zinc/58/42/24/385584224.db2.gz KWTPAWPAOQVELW-UHFFFAOYSA-N 1 0 239.341 -1.821 20 0 BAADRO COC(=O)[C@@H]1CN(C(=O)[C@H](C)[NH3+])CCO1 ZINC000309446853 347065014 /nfs/dbraw/zinc/06/50/14/347065014.db2.gz LOXDJYMVFCKJQC-BQBZGAKWSA-N 1 0 216.237 -1.266 20 0 BAADRO COC(=O)[C@H]1CN(C(=O)[C@H](C)[NH3+])CCO1 ZINC000309446854 347066184 /nfs/dbraw/zinc/06/61/84/347066184.db2.gz LOXDJYMVFCKJQC-NKWVEPMBSA-N 1 0 216.237 -1.266 20 0 BAADRO COC(=O)[C@H]1CN(C(=O)[C@@H](C)[NH3+])CCO1 ZINC000309446855 350499025 /nfs/dbraw/zinc/49/90/25/350499025.db2.gz LOXDJYMVFCKJQC-RNFRBKRXSA-N 1 0 216.237 -1.266 20 0 BAADRO COC(=O)[C@@H]1CN(C(=O)[C@@H](C)[NH3+])CCO1 ZINC000309446857 350499017 /nfs/dbraw/zinc/49/90/17/350499017.db2.gz LOXDJYMVFCKJQC-RQJHMYQMSA-N 1 0 216.237 -1.266 20 0 BAADRO C[N@H+](C[C@H](O)CN1C[C@H](O)[C@@H](O)C1)C1CC1 ZINC000309454652 385592596 /nfs/dbraw/zinc/59/25/96/385592596.db2.gz QPJFSSMRPBZGBS-DCAQKATOSA-N 1 0 230.308 -1.521 20 0 BAADRO C[N@H+](C[C@H](O)CN1C[C@@H](O)[C@@H](O)C1)C1CC1 ZINC000309454656 385591345 /nfs/dbraw/zinc/59/13/45/385591345.db2.gz QPJFSSMRPBZGBS-GARJFASQSA-N 1 0 230.308 -1.521 20 0 BAADRO C[N@H+](C[C@H](O)CN1C[C@@H](O)[C@H](O)C1)C1CC1 ZINC000309454662 385592589 /nfs/dbraw/zinc/59/25/89/385592589.db2.gz QPJFSSMRPBZGBS-HBNTYKKESA-N 1 0 230.308 -1.521 20 0 BAADRO C[N@H+](C[C@@H](O)CN1C[C@@H](O)[C@@H](O)C1)C1CC1 ZINC000309454666 385592616 /nfs/dbraw/zinc/59/26/16/385592616.db2.gz QPJFSSMRPBZGBS-MXWKQRLJSA-N 1 0 230.308 -1.521 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)NC(C)(C)C[NH3+] ZINC000309463738 385593449 /nfs/dbraw/zinc/59/34/49/385593449.db2.gz PJGJRIRRPCDOMY-LURJTMIESA-N 1 0 237.325 -1.222 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)NC(C)(C)C[NH3+] ZINC000309463739 385594131 /nfs/dbraw/zinc/59/41/31/385594131.db2.gz PJGJRIRRPCDOMY-ZCFIWIBFSA-N 1 0 237.325 -1.222 20 0 BAADRO CS(=O)(=O)N1CCC[C@@H]1C(=O)NCC[NH3+] ZINC000309464335 411496700 /nfs/dbraw/zinc/49/67/00/411496700.db2.gz PNAHTKBHRMXMAW-SSDOTTSWSA-N 1 0 235.309 -1.515 20 0 BAADRO CS(=O)(=O)N1CCC[C@H]1C(=O)NCC[NH3+] ZINC000309464336 411496819 /nfs/dbraw/zinc/49/68/19/411496819.db2.gz PNAHTKBHRMXMAW-ZETCQYMHSA-N 1 0 235.309 -1.515 20 0 BAADRO C[C@H]([NH3+])CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC000309469606 385598756 /nfs/dbraw/zinc/59/87/56/385598756.db2.gz QUCQHZCQXYGGMU-BQBZGAKWSA-N 1 0 237.325 -1.222 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[C@H](C)[NH3+] ZINC000309469607 385599526 /nfs/dbraw/zinc/59/95/26/385599526.db2.gz QUCQHZCQXYGGMU-NKWVEPMBSA-N 1 0 237.325 -1.222 20 0 BAADRO C[C@@H]([NH3+])CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC000309469608 385598494 /nfs/dbraw/zinc/59/84/94/385598494.db2.gz QUCQHZCQXYGGMU-RNFRBKRXSA-N 1 0 237.325 -1.222 20 0 BAADRO C[C@@H]([NH3+])CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC000309469610 385599083 /nfs/dbraw/zinc/59/90/83/385599083.db2.gz QUCQHZCQXYGGMU-RQJHMYQMSA-N 1 0 237.325 -1.222 20 0 BAADRO C[C@H](C[NH3+])CNC(=O)CN(C)S(C)(=O)=O ZINC000309469622 385598777 /nfs/dbraw/zinc/59/87/77/385598777.db2.gz QUJDFMUKEHNSGG-SSDOTTSWSA-N 1 0 237.325 -1.411 20 0 BAADRO C[C@@H](C[NH3+])CNC(=O)CN(C)S(C)(=O)=O ZINC000309470101 385598629 /nfs/dbraw/zinc/59/86/29/385598629.db2.gz QUJDFMUKEHNSGG-ZETCQYMHSA-N 1 0 237.325 -1.411 20 0 BAADRO CNS(=O)(=O)CC(=O)NC[C@@H]([NH3+])C(C)C ZINC000309496964 173401984 /nfs/dbraw/zinc/40/19/84/173401984.db2.gz UBNNKRICUBRZID-SSDOTTSWSA-N 1 0 237.325 -1.365 20 0 BAADRO CNS(=O)(=O)CC(=O)NC[C@H]([NH3+])C(C)C ZINC000309496966 385619619 /nfs/dbraw/zinc/61/96/19/385619619.db2.gz UBNNKRICUBRZID-ZETCQYMHSA-N 1 0 237.325 -1.365 20 0 BAADRO CN(CCCNC(=O)CC[NH3+])S(C)(=O)=O ZINC000309497012 343620371 /nfs/dbraw/zinc/62/03/71/343620371.db2.gz UCTBDHTUFVLAFM-UHFFFAOYSA-N 1 0 237.325 -1.267 20 0 BAADRO CC1(C)C[NH2+][C@@H]1C(=O)N1CCNC(=O)C1 ZINC000309499967 487713619 /nfs/dbraw/zinc/71/36/19/487713619.db2.gz LIVMXZIQNCTLSS-MRVPVSSYSA-N 1 0 211.265 -1.057 20 0 BAADRO CC1(C)C[NH2+][C@H]1C(=O)N1CCNC(=O)C1 ZINC000309499969 411151170 /nfs/dbraw/zinc/15/11/70/411151170.db2.gz LIVMXZIQNCTLSS-QMMMGPOBSA-N 1 0 211.265 -1.057 20 0 BAADRO COC[C@H]([NH3+])C(=O)NC[C@H](C)C(=O)OC ZINC000309505685 385643353 /nfs/dbraw/zinc/64/33/53/385643353.db2.gz VWGZGZMTXKGQKY-BQBZGAKWSA-N 1 0 218.253 -1.115 20 0 BAADRO COC[C@@H]([NH3+])C(=O)NC[C@H](C)C(=O)OC ZINC000309506061 385641391 /nfs/dbraw/zinc/64/13/91/385641391.db2.gz VWGZGZMTXKGQKY-NKWVEPMBSA-N 1 0 218.253 -1.115 20 0 BAADRO COC[C@@H]([NH3+])C(=O)NC[C@@H](C)C(=O)OC ZINC000309506062 385643027 /nfs/dbraw/zinc/64/30/27/385643027.db2.gz VWGZGZMTXKGQKY-RNFRBKRXSA-N 1 0 218.253 -1.115 20 0 BAADRO COC[C@H]([NH3+])C(=O)NC[C@@H](C)C(=O)OC ZINC000309506063 385642344 /nfs/dbraw/zinc/64/23/44/385642344.db2.gz VWGZGZMTXKGQKY-RQJHMYQMSA-N 1 0 218.253 -1.115 20 0 BAADRO C[C@H](C[NH3+])CNC(=O)CCNS(C)(=O)=O ZINC000309510570 411155061 /nfs/dbraw/zinc/15/50/61/411155061.db2.gz XDBWFMWMBOXSQE-SSDOTTSWSA-N 1 0 237.325 -1.363 20 0 BAADRO C[C@@H](C[NH3+])CNC(=O)CCNS(C)(=O)=O ZINC000309510571 411155047 /nfs/dbraw/zinc/15/50/47/411155047.db2.gz XDBWFMWMBOXSQE-ZETCQYMHSA-N 1 0 237.325 -1.363 20 0 BAADRO CCS(=O)(=O)N(C)CC(=O)N[C@H](C)C[NH3+] ZINC000309510660 385646652 /nfs/dbraw/zinc/64/66/52/385646652.db2.gz XFEYIFRCFYHDHB-SSDOTTSWSA-N 1 0 237.325 -1.269 20 0 BAADRO C[C@H]([NH3+])CCNC(=O)CCNS(C)(=O)=O ZINC000309515521 387814725 /nfs/dbraw/zinc/81/47/25/387814725.db2.gz YNMOMOSVVFKNRM-ZETCQYMHSA-N 1 0 237.325 -1.221 20 0 BAADRO CN(CC(=O)NC(C)(C)C[NH3+])S(C)(=O)=O ZINC000309515586 172605792 /nfs/dbraw/zinc/60/57/92/172605792.db2.gz YPTPKSBLOZYUFV-UHFFFAOYSA-N 1 0 237.325 -1.269 20 0 BAADRO C[C@@H](C[NH3+])NC(=O)C(C)(C)NS(C)(=O)=O ZINC000309519992 175709571 /nfs/dbraw/zinc/70/95/71/175709571.db2.gz ZUHLLZJUTBLVNZ-LURJTMIESA-N 1 0 237.325 -1.222 20 0 BAADRO CN1CCN(C(=O)CC(N)=O)[C@H](C[NH3+])C1 ZINC000309520363 411159702 /nfs/dbraw/zinc/15/97/02/411159702.db2.gz ZWLJSHHYSLTPCA-SSDOTTSWSA-N 1 0 214.269 -2.037 20 0 BAADRO CN1CCN(C(=O)CC(N)=O)[C@@H](C[NH3+])C1 ZINC000309520364 411159828 /nfs/dbraw/zinc/15/98/28/411159828.db2.gz ZWLJSHHYSLTPCA-ZETCQYMHSA-N 1 0 214.269 -2.037 20 0 BAADRO C[NH2+]CCCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC000309524145 173348299 /nfs/dbraw/zinc/34/82/99/173348299.db2.gz ALSFYGUIEHYHKH-SSDOTTSWSA-N 1 0 237.325 -1.350 20 0 BAADRO C[NH2+]CCCNC(=O)[C@H](C)NS(C)(=O)=O ZINC000309524151 173347871 /nfs/dbraw/zinc/34/78/71/173347871.db2.gz ALSFYGUIEHYHKH-ZETCQYMHSA-N 1 0 237.325 -1.350 20 0 BAADRO C[C@H](C[NH3+])NC(=O)CN1CCNCC1=O ZINC000309524360 350703347 /nfs/dbraw/zinc/70/33/47/350703347.db2.gz CHMFWDMFDVMLBG-SSDOTTSWSA-N 1 0 214.269 -2.118 20 0 BAADRO C[C@@H](C[NH3+])NS(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000309528250 175711915 /nfs/dbraw/zinc/71/19/15/175711915.db2.gz CKFWTLYOXYPUNU-BQBZGAKWSA-N 1 0 237.325 -1.270 20 0 BAADRO C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@@H](C)C[NH3+] ZINC000309528257 385663899 /nfs/dbraw/zinc/66/38/99/385663899.db2.gz CKFWTLYOXYPUNU-NKWVEPMBSA-N 1 0 237.325 -1.270 20 0 BAADRO C[C@H](C[NH3+])NS(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000309528263 385665373 /nfs/dbraw/zinc/66/53/73/385665373.db2.gz CKFWTLYOXYPUNU-RNFRBKRXSA-N 1 0 237.325 -1.270 20 0 BAADRO C[C@H](C[NH3+])NS(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000309528268 385665447 /nfs/dbraw/zinc/66/54/47/385665447.db2.gz CKFWTLYOXYPUNU-RQJHMYQMSA-N 1 0 237.325 -1.270 20 0 BAADRO CN(CCN1CCCS1(=O)=O)C1C[NH2+]C1 ZINC000309532463 632473963 /nfs/dbraw/zinc/47/39/63/632473963.db2.gz DIBBGPXOQDVSCI-UHFFFAOYSA-N 1 0 233.337 -1.075 20 0 BAADRO NCC(F)(F)CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000309540409 370224535 /nfs/dbraw/zinc/22/45/35/370224535.db2.gz GEVSWXIBVZVAMH-NTSWFWBYSA-N 1 0 223.223 -1.581 20 0 BAADRO [NH3+]C[C@@H]1CN(C(=O)[C@H]2CSCN2)CCO1 ZINC000309544719 326158059 /nfs/dbraw/zinc/15/80/59/326158059.db2.gz HOWXICBRFVTICR-HTQZYQBOSA-N 1 0 231.321 -1.165 20 0 BAADRO [NH3+]C[C@H]1CN(C(=O)[C@H]2CSCN2)CCO1 ZINC000309544720 326158198 /nfs/dbraw/zinc/15/81/98/326158198.db2.gz HOWXICBRFVTICR-JGVFFNPUSA-N 1 0 231.321 -1.165 20 0 BAADRO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CSCN2)CCO1 ZINC000309544721 350743381 /nfs/dbraw/zinc/74/33/81/350743381.db2.gz HOWXICBRFVTICR-SFYZADRCSA-N 1 0 231.321 -1.165 20 0 BAADRO [NH3+]C[C@H]1CN(C(=O)[C@@H]2CSCN2)CCO1 ZINC000309544723 350743673 /nfs/dbraw/zinc/74/36/73/350743673.db2.gz HOWXICBRFVTICR-YUMQZZPRSA-N 1 0 231.321 -1.165 20 0 BAADRO CNC(=O)[C@@H](C)NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000309546358 711637120 /nfs/dbraw/zinc/63/71/20/711637120.db2.gz BVLKWCFBRLQVDR-HZGVNTEJSA-N 1 0 217.244 -1.061 20 0 BAADRO CNC(=O)[C@@H](C)NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000309546360 711636788 /nfs/dbraw/zinc/63/67/88/711636788.db2.gz BVLKWCFBRLQVDR-MUWHJKNJSA-N 1 0 217.244 -1.061 20 0 BAADRO [NH3+]CCCNC(=O)CN1CCNCC1=O ZINC000309550425 370226284 /nfs/dbraw/zinc/22/62/84/370226284.db2.gz JYLFGASIKCTJJL-UHFFFAOYSA-N 1 0 214.269 -2.117 20 0 BAADRO [NH3+]CCNC(=O)c1ccc2nnnn2c1 ZINC000309551518 326158631 /nfs/dbraw/zinc/15/86/31/326158631.db2.gz KJPYFGDQJVZHBC-UHFFFAOYSA-N 1 0 206.209 -1.187 20 0 BAADRO NCC(F)(F)CNC(=O)COC1C[NH2+]C1 ZINC000309553913 350775641 /nfs/dbraw/zinc/77/56/41/350775641.db2.gz LMNWNABZICRAML-UHFFFAOYSA-N 1 0 223.223 -1.315 20 0 BAADRO O=C(N1CCNC(=O)C1)[C@@]1(F)CC[NH2+]C1 ZINC000309554302 385686351 /nfs/dbraw/zinc/68/63/51/385686351.db2.gz HCEDKFANRRMNFW-SECBINFHSA-N 1 0 215.228 -1.354 20 0 BAADRO O=C(N1CCNC(=O)C1)[C@]1(F)CC[NH2+]C1 ZINC000309554303 182758088 /nfs/dbraw/zinc/75/80/88/182758088.db2.gz HCEDKFANRRMNFW-VIFPVBQESA-N 1 0 215.228 -1.354 20 0 BAADRO CC[NH2+]CCNC(=O)CCNS(C)(=O)=O ZINC000309554672 370227535 /nfs/dbraw/zinc/22/75/35/370227535.db2.gz HDLKNRAUOVIURI-UHFFFAOYSA-N 1 0 237.325 -1.349 20 0 BAADRO NCC(F)(F)CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000309555001 181357071 /nfs/dbraw/zinc/35/70/71/181357071.db2.gz MBSJQRLSJMEMMT-LURJTMIESA-N 1 0 223.223 -1.315 20 0 BAADRO C[NH2+][C@H](C)CNC(=O)CN(C)S(C)(=O)=O ZINC000309560756 385691802 /nfs/dbraw/zinc/69/18/02/385691802.db2.gz JERUCAWYYSMUOR-SSDOTTSWSA-N 1 0 237.325 -1.398 20 0 BAADRO C[NH2+][C@@H](C)CNC(=O)CN(C)S(C)(=O)=O ZINC000309560757 173415663 /nfs/dbraw/zinc/41/56/63/173415663.db2.gz JERUCAWYYSMUOR-ZETCQYMHSA-N 1 0 237.325 -1.398 20 0 BAADRO CCS(=O)(=O)N(C)CC(=O)NCC[NH2+]C ZINC000309567067 385697162 /nfs/dbraw/zinc/69/71/62/385697162.db2.gz LEPSBIHRZCTBQR-UHFFFAOYSA-N 1 0 237.325 -1.397 20 0 BAADRO C[NH2+]CC(=O)N(C)CCNC(=O)N(C)C ZINC000309579132 173324488 /nfs/dbraw/zinc/32/44/88/173324488.db2.gz PTSKTODSKBXDEP-UHFFFAOYSA-N 1 0 216.285 -1.065 20 0 BAADRO [NH3+]CCN(CCO)CCN1CCOC1=O ZINC000309597196 633963721 /nfs/dbraw/zinc/96/37/21/633963721.db2.gz ISCFAYRNMAKHEN-UHFFFAOYSA-N 1 0 217.269 -1.308 20 0 BAADRO CNC(=O)CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000309603701 633209316 /nfs/dbraw/zinc/20/93/16/633209316.db2.gz XFZVZEIJDXMPHU-SECBINFHSA-N 1 0 217.244 -1.060 20 0 BAADRO CNC(=O)CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000309603702 632578848 /nfs/dbraw/zinc/57/88/48/632578848.db2.gz XFZVZEIJDXMPHU-VIFPVBQESA-N 1 0 217.244 -1.060 20 0 BAADRO CC[NH2+]CCNC(=O)CN(C)S(C)(=O)=O ZINC000309603773 170114603 /nfs/dbraw/zinc/11/46/03/170114603.db2.gz XIZSPWOGWZTHIU-UHFFFAOYSA-N 1 0 237.325 -1.397 20 0 BAADRO CCNS(=O)(=O)CCNC(=O)[C@H]1CC[NH2+]1 ZINC000309615587 633973885 /nfs/dbraw/zinc/97/38/85/633973885.db2.gz DZHRVGRRSXKHAW-SSDOTTSWSA-N 1 0 235.309 -1.596 20 0 BAADRO C[NH2+]CCCNS(=O)(=O)c1cnnn1C ZINC000309615612 173349769 /nfs/dbraw/zinc/34/97/69/173349769.db2.gz FBMNSBGTZIYMAV-UHFFFAOYSA-N 1 0 233.297 -1.297 20 0 BAADRO CNS(=O)(=O)CC(=O)NC[C@H](C)C[NH2+]C ZINC000309623946 173364092 /nfs/dbraw/zinc/36/40/92/173364092.db2.gz IJNMHEUXNXTMCD-SSDOTTSWSA-N 1 0 237.325 -1.493 20 0 BAADRO CNS(=O)(=O)CC(=O)NC[C@@H](C)C[NH2+]C ZINC000309623948 173375739 /nfs/dbraw/zinc/37/57/39/173375739.db2.gz IJNMHEUXNXTMCD-ZETCQYMHSA-N 1 0 237.325 -1.493 20 0 BAADRO C[NH2+]CCN(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC000309626476 173351761 /nfs/dbraw/zinc/35/17/61/173351761.db2.gz JCKJQROCRGYUPA-SSDOTTSWSA-N 1 0 237.325 -1.398 20 0 BAADRO C[NH2+]CCN(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC000309626477 173352134 /nfs/dbraw/zinc/35/21/34/173352134.db2.gz JCKJQROCRGYUPA-ZETCQYMHSA-N 1 0 237.325 -1.398 20 0 BAADRO C[NH2+]CCCNC(=O)CN(C)S(C)(=O)=O ZINC000309639161 385763412 /nfs/dbraw/zinc/76/34/12/385763412.db2.gz NYYFEHCCVYLLLW-UHFFFAOYSA-N 1 0 237.325 -1.397 20 0 BAADRO CN(C)C(=O)CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000309648809 632615019 /nfs/dbraw/zinc/61/50/19/632615019.db2.gz RPTZHFKLQWPEAI-SECBINFHSA-N 1 0 217.244 -1.108 20 0 BAADRO CN(C)C(=O)CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000309648811 632613765 /nfs/dbraw/zinc/61/37/65/632613765.db2.gz RPTZHFKLQWPEAI-VIFPVBQESA-N 1 0 217.244 -1.108 20 0 BAADRO CONC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000309649697 632613282 /nfs/dbraw/zinc/61/32/82/632613282.db2.gz SENJVRQQKGUHPX-SSDOTTSWSA-N 1 0 215.253 -1.078 20 0 BAADRO CONC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000309649698 632615021 /nfs/dbraw/zinc/61/50/21/632615021.db2.gz SENJVRQQKGUHPX-ZETCQYMHSA-N 1 0 215.253 -1.078 20 0 BAADRO COC(=O)NCC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000309652808 388460938 /nfs/dbraw/zinc/46/09/38/388460938.db2.gz UHZFJFMXBLYXSU-BDINMYNLSA-N 1 0 213.237 -1.324 20 0 BAADRO O=C(CNC(=O)C1CC1)N[C@@H]1CC[NH2+]C1 ZINC000309655430 386022388 /nfs/dbraw/zinc/02/23/88/386022388.db2.gz VMASRRYWERVZOL-MRVPVSSYSA-N 1 0 211.265 -1.009 20 0 BAADRO [NH3+][C@H]1C[C@@H](NS(=O)(=O)N2CCOCC2)C1 ZINC000309655572 411195442 /nfs/dbraw/zinc/19/54/42/411195442.db2.gz ZBKARHIPUAEDAZ-OCAPTIKFSA-N 1 0 235.309 -1.357 20 0 BAADRO O=C(CNC(=O)C1CC1)N[C@H]1CC[NH2+]C1 ZINC000309655806 411195204 /nfs/dbraw/zinc/19/52/04/411195204.db2.gz VMASRRYWERVZOL-QMMMGPOBSA-N 1 0 211.265 -1.009 20 0 BAADRO CN(C)C(=O)CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000309655812 411195742 /nfs/dbraw/zinc/19/57/42/411195742.db2.gz VMUYIUOZWYUOBV-QMSLJYSESA-N 1 0 211.265 -1.344 20 0 BAADRO C[NH2+]CCN(C)S(=O)(=O)N(C)CCOC ZINC000309660206 538792332 /nfs/dbraw/zinc/79/23/32/538792332.db2.gz XLROMFUOHGXQDF-UHFFFAOYSA-N 1 0 239.341 -1.039 20 0 BAADRO CCOC(=O)[C@](C)(O)C[NH2+]C1(C(N)=O)CC1 ZINC000309665863 170284903 /nfs/dbraw/zinc/28/49/03/170284903.db2.gz UBRPPZHWILBOAU-SECBINFHSA-N 1 0 230.264 -1.092 20 0 BAADRO CCOC(=O)[C@@](C)(O)C[NH2+]C1(C(N)=O)CC1 ZINC000309665865 170262727 /nfs/dbraw/zinc/26/27/27/170262727.db2.gz UBRPPZHWILBOAU-VIFPVBQESA-N 1 0 230.264 -1.092 20 0 BAADRO CC[C@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000309694256 633227334 /nfs/dbraw/zinc/22/73/34/633227334.db2.gz KOOFQCBFPZWZPI-MRVPVSSYSA-N 1 0 229.280 -1.695 20 0 BAADRO CC[C@@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000309694258 633226949 /nfs/dbraw/zinc/22/69/49/633226949.db2.gz KOOFQCBFPZWZPI-QMMMGPOBSA-N 1 0 229.280 -1.695 20 0 BAADRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CCCS(N)(=O)=O ZINC000309770452 388370606 /nfs/dbraw/zinc/37/06/06/388370606.db2.gz KINDXPJWMQKVKZ-HTQZYQBOSA-N 1 0 249.336 -1.221 20 0 BAADRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]CCCS(N)(=O)=O ZINC000309770453 259377543 /nfs/dbraw/zinc/37/75/43/259377543.db2.gz KINDXPJWMQKVKZ-JGVFFNPUSA-N 1 0 249.336 -1.221 20 0 BAADRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CCCS(N)(=O)=O ZINC000309770454 259377635 /nfs/dbraw/zinc/37/76/35/259377635.db2.gz KINDXPJWMQKVKZ-SFYZADRCSA-N 1 0 249.336 -1.221 20 0 BAADRO C[C@H]1CCNC(=O)[C@H]1[NH2+]CCCS(N)(=O)=O ZINC000309770456 388370384 /nfs/dbraw/zinc/37/03/84/388370384.db2.gz KINDXPJWMQKVKZ-YUMQZZPRSA-N 1 0 249.336 -1.221 20 0 BAADRO C[C@H](C[NH3+])N(C)C(=O)CCNS(C)(=O)=O ZINC000309794761 370262193 /nfs/dbraw/zinc/26/21/93/370262193.db2.gz PWVLSRHIFXOQQE-SSDOTTSWSA-N 1 0 237.325 -1.269 20 0 BAADRO C[C@@H](C[NH3+])N(C)C(=O)CCNS(C)(=O)=O ZINC000309794764 370262425 /nfs/dbraw/zinc/26/24/25/370262425.db2.gz PWVLSRHIFXOQQE-ZETCQYMHSA-N 1 0 237.325 -1.269 20 0 BAADRO CC(C)NS(=O)(=O)CCNC(=O)CC[NH3+] ZINC000309804853 167124603 /nfs/dbraw/zinc/12/46/03/167124603.db2.gz RVONKVKLYQUHEG-UHFFFAOYSA-N 1 0 237.325 -1.221 20 0 BAADRO C[C@@H](C[NH3+])NC(=O)CN1CCCNC1=O ZINC000309815588 633779380 /nfs/dbraw/zinc/77/93/80/633779380.db2.gz VERSVBORADRLHD-ZETCQYMHSA-N 1 0 214.269 -1.135 20 0 BAADRO CC(C)(NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C(N)=O ZINC000309998203 411194738 /nfs/dbraw/zinc/19/47/38/411194738.db2.gz CVRLTXGISKOFEV-ZMONIFLSSA-N 1 0 211.265 -1.168 20 0 BAADRO [NH3+]C1(C(=O)NCC(=O)N2CCOCC2)CCC1 ZINC000310025401 411195955 /nfs/dbraw/zinc/19/59/55/411195955.db2.gz ARSDFAVPQIDWCK-UHFFFAOYSA-N 1 0 241.291 -1.157 20 0 BAADRO C[C@@H](C(=O)NCC(=O)N1CCOCC1)[C@H](C)[NH3+] ZINC000310025417 343215532 /nfs/dbraw/zinc/21/55/32/343215532.db2.gz BWPPLQCYSKEXAM-BDAKNGLRSA-N 1 0 243.307 -1.055 20 0 BAADRO C[C@@H]([NH3+])[C@H](C)C(=O)NCC(=O)N1CCOCC1 ZINC000310025419 343215431 /nfs/dbraw/zinc/21/54/31/343215431.db2.gz BWPPLQCYSKEXAM-DTWKUNHWSA-N 1 0 243.307 -1.055 20 0 BAADRO C[C@H]([NH3+])[C@H](C)C(=O)NCC(=O)N1CCOCC1 ZINC000310025421 343215260 /nfs/dbraw/zinc/21/52/60/343215260.db2.gz BWPPLQCYSKEXAM-IUCAKERBSA-N 1 0 243.307 -1.055 20 0 BAADRO C[C@@H]([NH3+])[C@@H](C)C(=O)NCC(=O)N1CCOCC1 ZINC000310025423 343215382 /nfs/dbraw/zinc/21/53/82/343215382.db2.gz BWPPLQCYSKEXAM-RKDXNWHRSA-N 1 0 243.307 -1.055 20 0 BAADRO CCN(CC)C(=O)C[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000310071925 384821395 /nfs/dbraw/zinc/82/13/95/384821395.db2.gz DMSVGPXUKBSKNO-LLVKDONJSA-N 1 0 243.307 -1.223 20 0 BAADRO CCN(CC)C(=O)C[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000310071926 384822628 /nfs/dbraw/zinc/82/26/28/384822628.db2.gz DMSVGPXUKBSKNO-NSHDSACASA-N 1 0 243.307 -1.223 20 0 BAADRO C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000310079609 384927202 /nfs/dbraw/zinc/92/72/02/384927202.db2.gz IGCXBYQKQXTBDC-GZMMTYOYSA-N 1 0 243.307 -1.225 20 0 BAADRO C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000310079611 384928627 /nfs/dbraw/zinc/92/86/27/384928627.db2.gz IGCXBYQKQXTBDC-KCJUWKMLSA-N 1 0 243.307 -1.225 20 0 BAADRO C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000310079613 384929039 /nfs/dbraw/zinc/92/90/39/384929039.db2.gz IGCXBYQKQXTBDC-KWQFWETISA-N 1 0 243.307 -1.225 20 0 BAADRO C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000310079614 384927892 /nfs/dbraw/zinc/92/78/92/384927892.db2.gz IGCXBYQKQXTBDC-LDYMZIIASA-N 1 0 243.307 -1.225 20 0 BAADRO COC[C@@]1(C(=O)NCC(=O)N(C)C)CC[NH2+]C1 ZINC000310083807 343262970 /nfs/dbraw/zinc/26/29/70/343262970.db2.gz FLVKPBLNHZRRIG-LLVKDONJSA-N 1 0 243.307 -1.183 20 0 BAADRO COC[C@]1(C(=O)NCC(=O)N(C)C)CC[NH2+]C1 ZINC000310083810 343262947 /nfs/dbraw/zinc/26/29/47/343262947.db2.gz FLVKPBLNHZRRIG-NSHDSACASA-N 1 0 243.307 -1.183 20 0 BAADRO CC[C@@H](NC(=O)CN1CC[NH2+]CC1)C(=O)OC ZINC000310101035 343274175 /nfs/dbraw/zinc/27/41/75/343274175.db2.gz KYGXVKBILXRFMW-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO CC[C@H](NC(=O)CN1CC[NH2+]CC1)C(=O)OC ZINC000310101036 343274550 /nfs/dbraw/zinc/27/45/50/343274550.db2.gz KYGXVKBILXRFMW-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO CCC[C@H](NC(=O)CN1CC[NH2+]CC1)C(N)=O ZINC000310222467 386163389 /nfs/dbraw/zinc/16/33/89/386163389.db2.gz NJUATFQJKOCMQR-VIFPVBQESA-N 1 0 242.323 -1.338 20 0 BAADRO CN(C)C(=O)CC[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000310307350 136220619 /nfs/dbraw/zinc/22/06/19/136220619.db2.gz SBZZKHIICSVAID-LLVKDONJSA-N 1 0 243.307 -1.223 20 0 BAADRO CN(C)C(=O)CC[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000310307351 136220623 /nfs/dbraw/zinc/22/06/23/136220623.db2.gz SBZZKHIICSVAID-NSHDSACASA-N 1 0 243.307 -1.223 20 0 BAADRO CNC(=O)CCNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000310339735 370335417 /nfs/dbraw/zinc/33/54/17/370335417.db2.gz MIUAFZURLUVMCA-LLVKDONJSA-N 1 0 243.307 -1.135 20 0 BAADRO CNC(=O)CCNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000310339736 370336344 /nfs/dbraw/zinc/33/63/44/370336344.db2.gz MIUAFZURLUVMCA-NSHDSACASA-N 1 0 243.307 -1.135 20 0 BAADRO COCC[N@H+](C)C[C@H](O)CN1C[C@H](O)[C@@H](O)C1 ZINC000310348906 344471316 /nfs/dbraw/zinc/47/13/16/344471316.db2.gz GOOUPJHLONOXNS-DCAQKATOSA-N 1 0 248.323 -2.037 20 0 BAADRO CC(C)CNC(=O)CN1CC[C@](O)(C(N)=O)C1 ZINC000310349222 347270454 /nfs/dbraw/zinc/27/04/54/347270454.db2.gz GHEIMDPWUJSHOP-LLVKDONJSA-N 1 0 243.307 -1.319 20 0 BAADRO CC(C)CNC(=O)CN1CC[C@@](O)(C(N)=O)C1 ZINC000310349223 347270478 /nfs/dbraw/zinc/27/04/78/347270478.db2.gz GHEIMDPWUJSHOP-NSHDSACASA-N 1 0 243.307 -1.319 20 0 BAADRO CCCNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000310360597 169246960 /nfs/dbraw/zinc/24/69/60/169246960.db2.gz KABXYTNGYLILQQ-GZMMTYOYSA-N 1 0 243.307 -1.177 20 0 BAADRO CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000310360598 169240623 /nfs/dbraw/zinc/24/06/23/169240623.db2.gz KABXYTNGYLILQQ-KCJUWKMLSA-N 1 0 243.307 -1.177 20 0 BAADRO CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000310360599 169246341 /nfs/dbraw/zinc/24/63/41/169246341.db2.gz KABXYTNGYLILQQ-KWQFWETISA-N 1 0 243.307 -1.177 20 0 BAADRO CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000310360600 169241384 /nfs/dbraw/zinc/24/13/84/169241384.db2.gz KABXYTNGYLILQQ-LDYMZIIASA-N 1 0 243.307 -1.177 20 0 BAADRO COC[C@@]1(C(=O)NCCNC(C)=O)CC[NH2+]C1 ZINC000310401054 259382088 /nfs/dbraw/zinc/38/20/88/259382088.db2.gz GSQGHJXWUVWNPP-LLVKDONJSA-N 1 0 243.307 -1.135 20 0 BAADRO COC[C@]1(C(=O)NCCNC(C)=O)CC[NH2+]C1 ZINC000310401055 259382141 /nfs/dbraw/zinc/38/21/41/259382141.db2.gz GSQGHJXWUVWNPP-NSHDSACASA-N 1 0 243.307 -1.135 20 0 BAADRO CCOC[C@@H](O)C[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000310422399 385052957 /nfs/dbraw/zinc/05/29/57/385052957.db2.gz ZHNRXEDCHSBURV-GXSJLCMTSA-N 1 0 246.307 -1.304 20 0 BAADRO CCOC[C@H](O)C[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000310422400 385052018 /nfs/dbraw/zinc/05/20/18/385052018.db2.gz ZHNRXEDCHSBURV-KOLCDFICSA-N 1 0 246.307 -1.304 20 0 BAADRO CCOC[C@H](O)C[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000310422401 397883564 /nfs/dbraw/zinc/88/35/64/397883564.db2.gz ZHNRXEDCHSBURV-MWLCHTKSSA-N 1 0 246.307 -1.304 20 0 BAADRO CCOC[C@@H](O)C[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000310422402 383980806 /nfs/dbraw/zinc/98/08/06/383980806.db2.gz ZHNRXEDCHSBURV-ONGXEEELSA-N 1 0 246.307 -1.304 20 0 BAADRO C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC000310426274 632740978 /nfs/dbraw/zinc/74/09/78/632740978.db2.gz LYVFNPDJUBXELT-BQBZGAKWSA-N 1 0 240.263 -1.595 20 0 BAADRO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC000310426275 636033803 /nfs/dbraw/zinc/03/38/03/636033803.db2.gz LYVFNPDJUBXELT-RQJHMYQMSA-N 1 0 240.263 -1.595 20 0 BAADRO CCOC(=O)C[C@@H](O)C[N@H+](CCO)C[C@H](C)O ZINC000310444354 347284030 /nfs/dbraw/zinc/28/40/30/347284030.db2.gz QPOXRUIHNIKJEU-VHSXEESVSA-N 1 0 249.307 -1.024 20 0 BAADRO COC(=O)C(C)(C)CNC(=O)CNC(=O)C[NH3+] ZINC000310494491 387538408 /nfs/dbraw/zinc/53/84/08/387538408.db2.gz JVMMRABPBBVRTH-UHFFFAOYSA-N 1 0 245.279 -1.623 20 0 BAADRO COC[C@@]1(C(=O)NCCCC(N)=O)CC[NH2+]C1 ZINC000310498051 343519074 /nfs/dbraw/zinc/51/90/74/343519074.db2.gz LFIXSJRPBPFLHZ-LLVKDONJSA-N 1 0 243.307 -1.006 20 0 BAADRO COC[C@]1(C(=O)NCCCC(N)=O)CC[NH2+]C1 ZINC000310498053 343519023 /nfs/dbraw/zinc/51/90/23/343519023.db2.gz LFIXSJRPBPFLHZ-NSHDSACASA-N 1 0 243.307 -1.006 20 0 BAADRO COC[C@@]1(C(=O)N2CCNC(=O)C2)CC[NH2+]C1 ZINC000310516269 370350390 /nfs/dbraw/zinc/35/03/90/370350390.db2.gz RRBNCLGXONEPRD-LLVKDONJSA-N 1 0 241.291 -1.429 20 0 BAADRO COC[C@]1(C(=O)N2CCNC(=O)C2)CC[NH2+]C1 ZINC000310516274 370350447 /nfs/dbraw/zinc/35/04/47/370350447.db2.gz RRBNCLGXONEPRD-NSHDSACASA-N 1 0 241.291 -1.429 20 0 BAADRO CC(C)OC(=O)CNC(=O)CN1CC[NH2+]CC1 ZINC000312250089 634006641 /nfs/dbraw/zinc/00/66/41/634006641.db2.gz DTVHGLPAJSQUSV-UHFFFAOYSA-N 1 0 243.307 -1.041 20 0 BAADRO CCNC(=O)C(C)(C)[NH2+]C[C@@H](O)CO ZINC000313058193 711712856 /nfs/dbraw/zinc/71/28/56/711712856.db2.gz KRQLTJUANAVBRB-SSDOTTSWSA-N 1 0 204.270 -1.156 20 0 BAADRO CCNC(=O)C(C)(C)[NH2+]C[C@H](O)CO ZINC000313058196 711713000 /nfs/dbraw/zinc/71/30/00/711713000.db2.gz KRQLTJUANAVBRB-ZETCQYMHSA-N 1 0 204.270 -1.156 20 0 BAADRO OCCOCC[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000313637598 487644258 /nfs/dbraw/zinc/64/42/58/487644258.db2.gz VSFSISGBCQTDMY-JTQLQIEISA-N 1 0 219.281 -1.186 20 0 BAADRO OCCOCC[N@@H+]1CCC[C@](O)(CO)C1 ZINC000313637599 487644418 /nfs/dbraw/zinc/64/44/18/487644418.db2.gz VSFSISGBCQTDMY-SNVBAGLBSA-N 1 0 219.281 -1.186 20 0 BAADRO C[NH+](C)CC(=O)N1CCC[C@@](O)(CO)C1 ZINC000313640960 345293671 /nfs/dbraw/zinc/29/36/71/345293671.db2.gz YOGSKIFMGLJFES-JTQLQIEISA-N 1 0 216.281 -1.106 20 0 BAADRO C[NH+](C)CC(=O)N1CCC[C@](O)(CO)C1 ZINC000313640963 345293640 /nfs/dbraw/zinc/29/36/40/345293640.db2.gz YOGSKIFMGLJFES-SNVBAGLBSA-N 1 0 216.281 -1.106 20 0 BAADRO CN(C)C(=O)C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000313675320 398091419 /nfs/dbraw/zinc/09/14/19/398091419.db2.gz JCEWCAWWHYWWPF-JTQLQIEISA-N 1 0 216.281 -1.106 20 0 BAADRO CN(C)C(=O)C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000313675322 398091743 /nfs/dbraw/zinc/09/17/43/398091743.db2.gz JCEWCAWWHYWWPF-SNVBAGLBSA-N 1 0 216.281 -1.106 20 0 BAADRO CC(C)[N@H+](C)C[C@H](O)CN1C[C@H](CO)[C@H](O)C1 ZINC000316504410 411791179 /nfs/dbraw/zinc/79/11/79/411791179.db2.gz MNRJNFJNSBMKOO-GRYCIOLGSA-N 1 0 246.351 -1.028 20 0 BAADRO CC(C)[N@H+](C)C[C@H](O)CN1C[C@@H](O)[C@H](CO)C1 ZINC000316504411 411790964 /nfs/dbraw/zinc/79/09/64/411790964.db2.gz MNRJNFJNSBMKOO-SDDRHHMPSA-N 1 0 246.351 -1.028 20 0 BAADRO CC(C)[N@H+](C)C[C@H](O)CN1C[C@H](O)[C@H](CO)C1 ZINC000316504412 411791254 /nfs/dbraw/zinc/79/12/54/411791254.db2.gz MNRJNFJNSBMKOO-SRVKXCTJSA-N 1 0 246.351 -1.028 20 0 BAADRO CC(C)[N@H+](C)C[C@H](O)CN1C[C@H](O)[C@@H](CO)C1 ZINC000316504415 411791114 /nfs/dbraw/zinc/79/11/14/411791114.db2.gz MNRJNFJNSBMKOO-WOPDTQHZSA-N 1 0 246.351 -1.028 20 0 BAADRO C[C@H]([NH3+])C[C@H](C)NC(=O)Cn1cnnn1 ZINC000320440719 387267422 /nfs/dbraw/zinc/26/74/22/387267422.db2.gz ZUPUPRKJKNXONH-BQBZGAKWSA-N 1 0 212.257 -1.085 20 0 BAADRO C[C@H](C[C@H](C)[NH3+])NC(=O)Cn1cnnn1 ZINC000320440720 387267739 /nfs/dbraw/zinc/26/77/39/387267739.db2.gz ZUPUPRKJKNXONH-NKWVEPMBSA-N 1 0 212.257 -1.085 20 0 BAADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Cn1cnnn1 ZINC000320440721 387267261 /nfs/dbraw/zinc/26/72/61/387267261.db2.gz ZUPUPRKJKNXONH-RNFRBKRXSA-N 1 0 212.257 -1.085 20 0 BAADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)Cn1cnnn1 ZINC000320440722 387267685 /nfs/dbraw/zinc/26/76/85/387267685.db2.gz ZUPUPRKJKNXONH-RQJHMYQMSA-N 1 0 212.257 -1.085 20 0 BAADRO CNS(=O)(=O)NCC[NH+]1CCC(O)CC1 ZINC000322361685 343977722 /nfs/dbraw/zinc/97/77/22/343977722.db2.gz WTDXDUCGUTZQFZ-UHFFFAOYSA-N 1 0 237.325 -1.503 20 0 BAADRO CNC(=O)C[C@@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC000323012266 173280239 /nfs/dbraw/zinc/28/02/39/173280239.db2.gz HTHAGPNQCSRYOD-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO CNC(=O)C[C@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC000323012267 173282041 /nfs/dbraw/zinc/28/20/41/173282041.db2.gz HTHAGPNQCSRYOD-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO C[N@H+](C[C@H](O)CN[C@@H]1COC[C@H]1O)C1CC1 ZINC000323256923 259353357 /nfs/dbraw/zinc/35/33/57/259353357.db2.gz FUXWXNCZODNMHW-GMTAPVOTSA-N 1 0 230.308 -1.209 20 0 BAADRO C[N@H+](C[C@H](O)CN[C@@H]1COC[C@@H]1O)C1CC1 ZINC000323256924 490091989 /nfs/dbraw/zinc/09/19/89/490091989.db2.gz FUXWXNCZODNMHW-MXWKQRLJSA-N 1 0 230.308 -1.209 20 0 BAADRO O[C@H](CN[C@@H]1COC[C@H]1O)C[NH+]1CCCC1 ZINC000323327246 388258029 /nfs/dbraw/zinc/25/80/29/388258029.db2.gz VBAFYWYMHJQWPL-GMTAPVOTSA-N 1 0 230.308 -1.208 20 0 BAADRO O[C@H](CN[C@@H]1COC[C@@H]1O)C[NH+]1CCCC1 ZINC000323327247 388258415 /nfs/dbraw/zinc/25/84/15/388258415.db2.gz VBAFYWYMHJQWPL-MXWKQRLJSA-N 1 0 230.308 -1.208 20 0 BAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2COC[C@@H]2O)C1 ZINC000323327910 388258661 /nfs/dbraw/zinc/25/86/61/388258661.db2.gz XMVZCUHPOLKXNS-YIZRAAEISA-N 1 0 214.265 -1.186 20 0 BAADRO C[N@H+](C[C@@H](O)CN[C@@H]1COC[C@H]1O)C1CC1 ZINC000323375135 323080474 /nfs/dbraw/zinc/08/04/74/323080474.db2.gz FUXWXNCZODNMHW-HBNTYKKESA-N 1 0 230.308 -1.209 20 0 BAADRO O[C@@H](CN[C@@H]1COC[C@H]1O)C[NH+]1CCCC1 ZINC000323454687 385466516 /nfs/dbraw/zinc/46/65/16/385466516.db2.gz VBAFYWYMHJQWPL-HBNTYKKESA-N 1 0 230.308 -1.208 20 0 BAADRO CCOC[C@@H](O)C[NH2+][C@@H]1COC[C@H]1O ZINC000323504833 323090477 /nfs/dbraw/zinc/09/04/77/323090477.db2.gz DQVYPCVXENRWJA-DJLDLDEBSA-N 1 0 205.254 -1.267 20 0 BAADRO O[C@@H]1C[N@@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C[C@@H]1O ZINC000328610226 183244082 /nfs/dbraw/zinc/24/40/82/183244082.db2.gz NNENDDTVLMRHKP-BKUVIOGVSA-N 1 0 242.319 -1.113 20 0 BAADRO O[C@H]1C[NH+](CCN2C[C@H]3CC[C@@H](C2)O3)C[C@@H]1O ZINC000328610227 183244531 /nfs/dbraw/zinc/24/45/31/183244531.db2.gz NNENDDTVLMRHKP-USZNOCQGSA-N 1 0 242.319 -1.113 20 0 BAADRO Cn1nnc(CN2C[C@@H]3[C@H](C2)OCCN3C)n1 ZINC000328686872 187357808 /nfs/dbraw/zinc/35/78/08/187357808.db2.gz YNPDPGABBARDLN-BDAKNGLRSA-N 1 0 238.295 -1.275 20 0 BAADRO CO[C@H]1C[C@@H](C(=O)N2CC(=O)N(C)C2)N(C)C1 ZINC000328942858 582722575 /nfs/dbraw/zinc/72/25/75/582722575.db2.gz FQJDEJUVAAQTTQ-IUCAKERBSA-N 1 0 241.291 -1.036 20 0 BAADRO CN(CC(=O)N1CCOCC1)[C@@H]1COC[C@H]1O ZINC000329156394 386615912 /nfs/dbraw/zinc/61/59/12/386615912.db2.gz CQZDGILFKMRMRU-NXEZZACHSA-N 1 0 244.291 -1.463 20 0 BAADRO CN(CC(=O)N1CCC1)[C@@H]1COC[C@H]1O ZINC000329157527 386617864 /nfs/dbraw/zinc/61/78/64/386617864.db2.gz DESUXZLWOZVMTD-RKDXNWHRSA-N 1 0 214.265 -1.090 20 0 BAADRO C[N@H+](CCN1CCNC1=O)[C@@H]1COC[C@H]1O ZINC000329671299 386776435 /nfs/dbraw/zinc/77/64/35/386776435.db2.gz UBFBRGQBGNFMKP-RKDXNWHRSA-N 1 0 229.280 -1.093 20 0 BAADRO Cn1nnnc1CN1C[C@@H]2[C@H](C1)OCCN2C ZINC000330281402 386986104 /nfs/dbraw/zinc/98/61/04/386986104.db2.gz UPOJNDPHVSBWKZ-BDAKNGLRSA-N 1 0 238.295 -1.275 20 0 BAADRO C[N@H+](CC(C)(CO)CO)[C@@H]1CCNC1=O ZINC000330363490 387005349 /nfs/dbraw/zinc/00/53/49/387005349.db2.gz HJPMPYGQBZJESS-MRVPVSSYSA-N 1 0 216.281 -1.202 20 0 BAADRO C[N@H+](CC(C)(CO)CO)[C@H]1CCNC1=O ZINC000330363491 387005598 /nfs/dbraw/zinc/00/55/98/387005598.db2.gz HJPMPYGQBZJESS-QMMMGPOBSA-N 1 0 216.281 -1.202 20 0 BAADRO C[NH+](C)CC(=O)NCCC(=O)N1CCOCC1 ZINC000330446126 386743396 /nfs/dbraw/zinc/74/33/96/386743396.db2.gz UZYUCAZHPGYAIQ-UHFFFAOYSA-N 1 0 243.307 -1.087 20 0 BAADRO C[NH+](C)CC(=O)NCCN1CCCS1(=O)=O ZINC000330477545 386731374 /nfs/dbraw/zinc/73/13/74/386731374.db2.gz MDSQQQFDUCTGHJ-UHFFFAOYSA-N 1 0 249.336 -1.300 20 0 BAADRO CNC(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000330500052 173217507 /nfs/dbraw/zinc/21/75/07/173217507.db2.gz MRXVRWKJZSSCFK-MRVPVSSYSA-N 1 0 229.280 -1.431 20 0 BAADRO CNC(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000330500053 173217017 /nfs/dbraw/zinc/21/70/17/173217017.db2.gz MRXVRWKJZSSCFK-QMMMGPOBSA-N 1 0 229.280 -1.431 20 0 BAADRO CO[C@H]1C[C@@H](C(=O)NCCNC(C)=O)[N@H+](C)C1 ZINC000330520661 386747885 /nfs/dbraw/zinc/74/78/85/386747885.db2.gz HNGMPZZLWPLWBV-UWVGGRQHSA-N 1 0 243.307 -1.042 20 0 BAADRO C[NH+](C)CCn1ccc(NC(=O)CO)n1 ZINC000330540255 412167552 /nfs/dbraw/zinc/16/75/52/412167552.db2.gz HIJIYGGORITYHG-UHFFFAOYSA-N 1 0 212.253 -0.625 20 0 BAADRO CO[C@H]1C[C@@H](C(=O)N(C)C[C@H](O)CO)[N@H+](C)C1 ZINC000330555616 386769672 /nfs/dbraw/zinc/76/96/72/386769672.db2.gz DWLFZLYQWPSJAD-GUBZILKMSA-N 1 0 246.307 -1.483 20 0 BAADRO C[NH+](C)CCCNC(=O)CN1CCOCC1=O ZINC000330592775 386804526 /nfs/dbraw/zinc/80/45/26/386804526.db2.gz RZEKGNINMKFRDJ-UHFFFAOYSA-N 1 0 243.307 -1.087 20 0 BAADRO C[N@H+](CCC(=O)NC(N)=O)[C@@H]1COC[C@H]1O ZINC000330594598 386806408 /nfs/dbraw/zinc/80/64/08/386806408.db2.gz AYBLNZYHWSDOGL-RNFRBKRXSA-N 1 0 231.252 -1.323 20 0 BAADRO CCOC(=O)[C@](C)(O)C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000330594630 170283647 /nfs/dbraw/zinc/28/36/47/170283647.db2.gz BBTLVOOSGMOIIW-FXPVBKGRSA-N 1 0 247.291 -1.008 20 0 BAADRO CCOC(=O)[C@@](C)(O)C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000330594631 170261809 /nfs/dbraw/zinc/26/18/09/170261809.db2.gz BBTLVOOSGMOIIW-KKZNHRDASA-N 1 0 247.291 -1.008 20 0 BAADRO C[C@@H](C[NH+](C)C)NC(=O)CN1CCOCC1=O ZINC000330676805 386854858 /nfs/dbraw/zinc/85/48/58/386854858.db2.gz KNSVOOMIPQMTCP-VIFPVBQESA-N 1 0 243.307 -1.089 20 0 BAADRO COC(=O)CNC(=O)CN1CC[N@H+](C)C[C@H]1C ZINC000330751804 386878134 /nfs/dbraw/zinc/87/81/34/386878134.db2.gz VKZAJYHLHAESLJ-SECBINFHSA-N 1 0 243.307 -1.089 20 0 BAADRO COC(=O)CNC(=O)CN1CC[N@H+](C)C[C@@H]1C ZINC000330751806 386877634 /nfs/dbraw/zinc/87/76/34/386877634.db2.gz VKZAJYHLHAESLJ-VIFPVBQESA-N 1 0 243.307 -1.089 20 0 BAADRO C[NH+](C)CC(=O)NCCN1C(=O)CCC1=O ZINC000330779185 386883982 /nfs/dbraw/zinc/88/39/82/386883982.db2.gz MHMCCRQBOLCZSI-UHFFFAOYSA-N 1 0 227.264 -1.187 20 0 BAADRO CNC(=O)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000330789308 173276354 /nfs/dbraw/zinc/27/63/54/173276354.db2.gz AXCCQMQAUHGRRJ-SECBINFHSA-N 1 0 243.307 -1.183 20 0 BAADRO CNC(=O)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000330789309 173276035 /nfs/dbraw/zinc/27/60/35/173276035.db2.gz AXCCQMQAUHGRRJ-VIFPVBQESA-N 1 0 243.307 -1.183 20 0 BAADRO CCOC[C@H](O)CN1CCO[C@@H](C(=O)NC)C1 ZINC000330802838 386891731 /nfs/dbraw/zinc/89/17/31/386891731.db2.gz IFLQHZMFWKNNAF-NXEZZACHSA-N 1 0 246.307 -1.169 20 0 BAADRO CCOC[C@@H](O)CN1CCO[C@H](C(=O)NC)C1 ZINC000330802839 386892448 /nfs/dbraw/zinc/89/24/48/386892448.db2.gz IFLQHZMFWKNNAF-UWVGGRQHSA-N 1 0 246.307 -1.169 20 0 BAADRO CCOC[C@@H](O)CN1CCO[C@@H](C(=O)NC)C1 ZINC000330802840 386892771 /nfs/dbraw/zinc/89/27/71/386892771.db2.gz IFLQHZMFWKNNAF-VHSXEESVSA-N 1 0 246.307 -1.169 20 0 BAADRO CCOC[C@H](O)CN1CCO[C@H](C(=O)NC)C1 ZINC000330802841 386892716 /nfs/dbraw/zinc/89/27/16/386892716.db2.gz IFLQHZMFWKNNAF-ZJUUUORDSA-N 1 0 246.307 -1.169 20 0 BAADRO COC(=O)[C@](C)(O)C[N@H+](C)[C@@]1(CO)CCOC1 ZINC000330811591 386894525 /nfs/dbraw/zinc/89/45/25/386894525.db2.gz BXSYXUWBXCPEJS-GHMZBOCLSA-N 1 0 247.291 -1.006 20 0 BAADRO COC(=O)[C@](C)(O)C[N@H+](C)[C@]1(CO)CCOC1 ZINC000330811592 386894039 /nfs/dbraw/zinc/89/40/39/386894039.db2.gz BXSYXUWBXCPEJS-MNOVXSKESA-N 1 0 247.291 -1.006 20 0 BAADRO COC(=O)[C@@](C)(O)C[N@H+](C)[C@]1(CO)CCOC1 ZINC000330812393 386894972 /nfs/dbraw/zinc/89/49/72/386894972.db2.gz BXSYXUWBXCPEJS-QWRGUYRKSA-N 1 0 247.291 -1.006 20 0 BAADRO COC(=O)[C@@](C)(O)C[N@H+](C)[C@@]1(CO)CCOC1 ZINC000330812394 386894860 /nfs/dbraw/zinc/89/48/60/386894860.db2.gz BXSYXUWBXCPEJS-WDEREUQCSA-N 1 0 247.291 -1.006 20 0 BAADRO COC(=O)[C@](C)(O)C[N@@H+]1C[C@H](OC)C[C@H]1CO ZINC000330821354 173834306 /nfs/dbraw/zinc/83/43/06/173834306.db2.gz FYMDGJCUELFOKG-IQJOONFLSA-N 1 0 247.291 -1.008 20 0 BAADRO COC(=O)[C@@](C)(O)C[N@@H+]1C[C@H](OC)C[C@H]1CO ZINC000330821356 386899217 /nfs/dbraw/zinc/89/92/17/386899217.db2.gz FYMDGJCUELFOKG-NGZCFLSTSA-N 1 0 247.291 -1.008 20 0 BAADRO COC(=O)[C@@](C)(O)C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000330830887 386898227 /nfs/dbraw/zinc/89/82/27/386898227.db2.gz JCTHFZZAGWHHRG-MRTMQBJTSA-N 1 0 233.264 -1.398 20 0 BAADRO COC(=O)[C@](C)(O)C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000330830888 386899813 /nfs/dbraw/zinc/89/98/13/386899813.db2.gz JCTHFZZAGWHHRG-NQMVMOMDSA-N 1 0 233.264 -1.398 20 0 BAADRO C[NH+](C)CCNC(=O)CN1CN=NC1=O ZINC000330856352 386904041 /nfs/dbraw/zinc/90/40/41/386904041.db2.gz SJKFTPDEMHWMEP-UHFFFAOYSA-N 1 0 213.241 -1.339 20 0 BAADRO CN(CC[NH+](C)C)C(=O)CN1CCOCC1=O ZINC000330941465 386925540 /nfs/dbraw/zinc/92/55/40/386925540.db2.gz CHIJPZVVCDEVRJ-UHFFFAOYSA-N 1 0 243.307 -1.135 20 0 BAADRO COC(=O)[C@H]1CNC(=O)CN1C(=O)CN(C)C ZINC000330962855 386930912 /nfs/dbraw/zinc/93/09/12/386930912.db2.gz LZYGMTOZCXNOAS-SSDOTTSWSA-N 1 0 243.263 -1.952 20 0 BAADRO COC(=O)[C@@H]1CNC(=O)CN1C(=O)CN(C)C ZINC000330962856 386929828 /nfs/dbraw/zinc/92/98/28/386929828.db2.gz LZYGMTOZCXNOAS-ZETCQYMHSA-N 1 0 243.263 -1.952 20 0 BAADRO CC[N@H+](CCCO)CC(=O)N1CCNC(=O)C1 ZINC000330964330 386930389 /nfs/dbraw/zinc/93/03/89/386930389.db2.gz CYGPLLIUYZNBAD-UHFFFAOYSA-N 1 0 243.307 -1.351 20 0 BAADRO CCOC(=O)[C@](C)(O)C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000331051690 170284805 /nfs/dbraw/zinc/28/48/05/170284805.db2.gz IOVXLCRFAWAOEE-ATZCPNFKSA-N 1 0 247.291 -1.272 20 0 BAADRO CCOC(=O)[C@@](C)(O)C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000331051691 170260944 /nfs/dbraw/zinc/26/09/44/170260944.db2.gz IOVXLCRFAWAOEE-QXEWZRGKSA-N 1 0 247.291 -1.272 20 0 BAADRO CNC(=O)CC(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000331084338 173231795 /nfs/dbraw/zinc/23/17/95/173231795.db2.gz ZBPHSILEESBSFP-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO CNC(=O)CC(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000331084339 173233479 /nfs/dbraw/zinc/23/34/79/173233479.db2.gz ZBPHSILEESBSFP-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO COC(=O)CC[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000331129519 386982774 /nfs/dbraw/zinc/98/27/74/386982774.db2.gz CMBGXEYWBYEBAQ-SSDOTTSWSA-N 1 0 236.293 -1.088 20 0 BAADRO COC(=O)CC[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000331129520 386982280 /nfs/dbraw/zinc/98/22/80/386982280.db2.gz CMBGXEYWBYEBAQ-ZETCQYMHSA-N 1 0 236.293 -1.088 20 0 BAADRO CN1CCN(CC(=O)NCC[NH+](C)C)CC1=O ZINC000331217306 386990810 /nfs/dbraw/zinc/99/08/10/386990810.db2.gz FVBGMYOUSVVXSQ-UHFFFAOYSA-N 1 0 242.323 -1.562 20 0 BAADRO COC(=O)[C@]1(NC(=O)C[NH+](C)C)CCOC1 ZINC000331266684 387457546 /nfs/dbraw/zinc/45/75/46/387457546.db2.gz IUIWKNQIQRBCJG-JTQLQIEISA-N 1 0 230.264 -1.004 20 0 BAADRO COC(=O)[C@@]1(NC(=O)C[NH+](C)C)CCOC1 ZINC000331266685 386991738 /nfs/dbraw/zinc/99/17/38/386991738.db2.gz IUIWKNQIQRBCJG-SNVBAGLBSA-N 1 0 230.264 -1.004 20 0 BAADRO CCOC(=O)[C@](C)(O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000331291863 170284600 /nfs/dbraw/zinc/28/46/00/170284600.db2.gz LBIKEIHPMIRVIN-KHQFGBGNSA-N 1 0 233.264 -1.662 20 0 BAADRO CCOC(=O)[C@](C)(O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000331291864 170284718 /nfs/dbraw/zinc/28/47/18/170284718.db2.gz LBIKEIHPMIRVIN-NQMVMOMDSA-N 1 0 233.264 -1.662 20 0 BAADRO CCOC(=O)[C@](C)(O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000331291865 170285202 /nfs/dbraw/zinc/28/52/02/170285202.db2.gz LBIKEIHPMIRVIN-OYNCUSHFSA-N 1 0 233.264 -1.662 20 0 BAADRO CCOC(=O)[C@@](C)(O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000331291866 170262614 /nfs/dbraw/zinc/26/26/14/170262614.db2.gz LBIKEIHPMIRVIN-XKSSXDPKSA-N 1 0 233.264 -1.662 20 0 BAADRO COC(=O)CCNC(=O)CN1C[C@@H](O)[C@@H](O)C1 ZINC000331303389 387009166 /nfs/dbraw/zinc/00/91/66/387009166.db2.gz SYPYRDKCPMEIBN-OCAPTIKFSA-N 1 0 246.263 -2.297 20 0 BAADRO CCOCC[C@@H](O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000331309580 170426325 /nfs/dbraw/zinc/42/63/25/170426325.db2.gz XXGDHAUNPWAHLF-BBBLOLIVSA-N 1 0 219.281 -1.189 20 0 BAADRO CCOCC[C@H](O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000331309581 387000945 /nfs/dbraw/zinc/00/09/45/387000945.db2.gz XXGDHAUNPWAHLF-GUBZILKMSA-N 1 0 219.281 -1.189 20 0 BAADRO CCOCC[C@H](O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000331309582 541426181 /nfs/dbraw/zinc/42/61/81/541426181.db2.gz XXGDHAUNPWAHLF-IVZWLZJFSA-N 1 0 219.281 -1.189 20 0 BAADRO CCOCC[C@H](O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000331309583 541426289 /nfs/dbraw/zinc/42/62/89/541426289.db2.gz XXGDHAUNPWAHLF-LPEHRKFASA-N 1 0 219.281 -1.189 20 0 BAADRO O=C(CO)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000331359465 387019103 /nfs/dbraw/zinc/01/91/03/387019103.db2.gz WNGAVMPWJNGFPL-SECBINFHSA-N 1 0 216.281 -1.058 20 0 BAADRO O=C(CO)N[C@H](CO)C[NH+]1CCCCC1 ZINC000331359466 387017988 /nfs/dbraw/zinc/01/79/88/387017988.db2.gz WNGAVMPWJNGFPL-VIFPVBQESA-N 1 0 216.281 -1.058 20 0 BAADRO [NH3+][C@@H]1C[C@@H]1C(=O)N1CCO[C@H](CO)C1 ZINC000331370313 181598400 /nfs/dbraw/zinc/59/84/00/181598400.db2.gz GDAWYTPYSLTBJB-BIIVOSGPSA-N 1 0 200.238 -1.447 20 0 BAADRO [NH3+][C@@H]1C[C@@H]1C(=O)N1CCO[C@@H](CO)C1 ZINC000331370314 386846602 /nfs/dbraw/zinc/84/66/02/386846602.db2.gz GDAWYTPYSLTBJB-GJMOJQLCSA-N 1 0 200.238 -1.447 20 0 BAADRO COCCN1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1=O ZINC000331371791 174308961 /nfs/dbraw/zinc/30/89/61/174308961.db2.gz GPLMSJSDPLSAAF-BDAKNGLRSA-N 1 0 241.291 -1.349 20 0 BAADRO COC(=O)[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000331374540 386846407 /nfs/dbraw/zinc/84/64/07/386846407.db2.gz HJSCFPLRIAMGON-CSMHCCOUSA-N 1 0 228.248 -1.266 20 0 BAADRO COC(=O)[C@H]1COCCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000331374541 386845432 /nfs/dbraw/zinc/84/54/32/386845432.db2.gz HJSCFPLRIAMGON-GJMOJQLCSA-N 1 0 228.248 -1.266 20 0 BAADRO CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000331377531 173214095 /nfs/dbraw/zinc/21/40/95/173214095.db2.gz IMPVSGDKEFYEBO-OCAPTIKFSA-N 1 0 211.265 -1.248 20 0 BAADRO CNC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CCO1 ZINC000331378670 173299836 /nfs/dbraw/zinc/29/98/36/173299836.db2.gz IVMFMUOQAJTVOH-CSMHCCOUSA-N 1 0 227.264 -1.693 20 0 BAADRO CNC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CCO1 ZINC000331378671 173308498 /nfs/dbraw/zinc/30/84/98/173308498.db2.gz IVMFMUOQAJTVOH-GJMOJQLCSA-N 1 0 227.264 -1.693 20 0 BAADRO CC(=O)NC[C@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CCO1 ZINC000331431981 188226415 /nfs/dbraw/zinc/22/64/15/188226415.db2.gz RKXYXALSTNAJQY-AEJSXWLSSA-N 1 0 241.291 -1.303 20 0 BAADRO CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CCO1 ZINC000331431982 386853806 /nfs/dbraw/zinc/85/38/06/386853806.db2.gz RKXYXALSTNAJQY-BBBLOLIVSA-N 1 0 241.291 -1.303 20 0 BAADRO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CCS1(=O)=O ZINC000331440945 176256292 /nfs/dbraw/zinc/25/62/92/176256292.db2.gz SIJZEJYBVYVEJT-PRJMDXOYSA-N 1 0 232.305 -1.021 20 0 BAADRO C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CCS1(=O)=O ZINC000331440953 177223379 /nfs/dbraw/zinc/22/33/79/177223379.db2.gz SIJZEJYBVYVEJT-RNJXMRFFSA-N 1 0 232.305 -1.021 20 0 BAADRO [NH3+][C@@H]1C[C@@H]1C(=O)NCCC(=O)N1CCOCC1 ZINC000331456285 386855298 /nfs/dbraw/zinc/85/52/98/386855298.db2.gz DQCBWFOSTMESCE-DTWKUNHWSA-N 1 0 241.291 -1.301 20 0 BAADRO C[C@H](O)CC[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000331463291 386858537 /nfs/dbraw/zinc/85/85/37/386858537.db2.gz VKSXCRZFMKRFGF-BIIVOSGPSA-N 1 0 212.249 -1.038 20 0 BAADRO C[C@@H](O)CC[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000331463293 386859283 /nfs/dbraw/zinc/85/92/83/386859283.db2.gz VKSXCRZFMKRFGF-PRJMDXOYSA-N 1 0 212.249 -1.038 20 0 BAADRO CNC(=O)C1CN(Cc2cn(C)nn2)C1 ZINC000331472037 173228128 /nfs/dbraw/zinc/22/81/28/173228128.db2.gz HDRPHUCZAASYJJ-UHFFFAOYSA-N 1 0 209.253 -1.007 20 0 BAADRO CC(C)N1C(=O)C[C@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])C1=O ZINC000331475310 187876204 /nfs/dbraw/zinc/87/62/04/187876204.db2.gz KTWWFNXICOGUDS-CSMHCCOUSA-N 1 0 239.275 -1.014 20 0 BAADRO CC(C)N1C(=O)C[C@@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])C1=O ZINC000331475311 386857930 /nfs/dbraw/zinc/85/79/30/386857930.db2.gz KTWWFNXICOGUDS-GJMOJQLCSA-N 1 0 239.275 -1.014 20 0 BAADRO COC(=O)[C@H]1[C@H](O)CCCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000331478522 386860779 /nfs/dbraw/zinc/86/07/79/386860779.db2.gz XBHNRFFVLJFHAF-BZNPZCIMSA-N 1 0 242.275 -1.142 20 0 BAADRO COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000331478545 386860371 /nfs/dbraw/zinc/86/03/71/386860371.db2.gz XBHNRFFVLJFHAF-RYPBNFRJSA-N 1 0 242.275 -1.142 20 0 BAADRO COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000331478552 386860207 /nfs/dbraw/zinc/86/02/07/386860207.db2.gz XBHNRFFVLJFHAF-XAVMHZPKSA-N 1 0 242.275 -1.142 20 0 BAADRO COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000331478557 386860708 /nfs/dbraw/zinc/86/07/08/386860708.db2.gz XBHNRFFVLJFHAF-XGEHTFHBSA-N 1 0 242.275 -1.142 20 0 BAADRO C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000331485841 176347805 /nfs/dbraw/zinc/34/78/05/176347805.db2.gz XVFAYANNMPILOC-PRJMDXOYSA-N 1 0 232.305 -1.021 20 0 BAADRO C[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000331485842 188053482 /nfs/dbraw/zinc/05/34/82/188053482.db2.gz XVFAYANNMPILOC-RNJXMRFFSA-N 1 0 232.305 -1.021 20 0 BAADRO COC(=O)[C@]1(NC(=O)[C@@H]2C[C@@H]2[NH3+])CCOC1 ZINC000331578631 386872689 /nfs/dbraw/zinc/87/26/89/386872689.db2.gz ZRXODQJGGGKUAY-FWWHASMVSA-N 1 0 228.248 -1.218 20 0 BAADRO COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H]2[NH3+])CCOC1 ZINC000331578634 386872148 /nfs/dbraw/zinc/87/21/48/386872148.db2.gz ZRXODQJGGGKUAY-MATHAZKKSA-N 1 0 228.248 -1.218 20 0 BAADRO [NH3+][C@@H]1C[C@@H]1C(=O)NCCN1CCCS1(=O)=O ZINC000331704199 386884767 /nfs/dbraw/zinc/88/47/67/386884767.db2.gz XQFFGBBVSJCWAY-JGVFFNPUSA-N 1 0 247.320 -1.515 20 0 BAADRO CNS(=O)(=O)CC(=O)NCC[N@H+](C)C1CC1 ZINC000331774403 386900442 /nfs/dbraw/zinc/90/04/42/386900442.db2.gz KXZFMPNPKDCKSY-UHFFFAOYSA-N 1 0 249.336 -1.254 20 0 BAADRO C[C@H](CS(C)(=O)=O)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000331807172 386910154 /nfs/dbraw/zinc/91/01/54/386910154.db2.gz YKPRULVAOBDLLN-QYNIQEEDSA-N 1 0 220.294 -1.117 20 0 BAADRO C[C@@H](CS(C)(=O)=O)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000331807173 175763643 /nfs/dbraw/zinc/76/36/43/175763643.db2.gz YKPRULVAOBDLLN-XVMARJQXSA-N 1 0 220.294 -1.117 20 0 BAADRO C[N@H+](CCNC(=O)CNC(N)=O)C1CC1 ZINC000331813766 386910891 /nfs/dbraw/zinc/91/08/91/386910891.db2.gz WHJQBWORBJXQHE-UHFFFAOYSA-N 1 0 214.269 -1.135 20 0 BAADRO CN(CC(=O)N1CCOCC1)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000331823671 386914888 /nfs/dbraw/zinc/91/48/88/386914888.db2.gz INVOEYKREONNIL-BDAKNGLRSA-N 1 0 241.291 -1.349 20 0 BAADRO [NH3+][C@@H]1C[C@@H]1C(=O)NCC(=O)N1CCOCC1 ZINC000331838627 386917679 /nfs/dbraw/zinc/91/76/79/386917679.db2.gz SPCYKDXYSYDOPG-JGVFFNPUSA-N 1 0 227.264 -1.691 20 0 BAADRO C[N@H+](CCN1C(=O)CNC1=O)C1(CO)CC1 ZINC000331948416 386930866 /nfs/dbraw/zinc/93/08/66/386930866.db2.gz SVUPPXFYGKARSH-UHFFFAOYSA-N 1 0 227.264 -1.005 20 0 BAADRO CC1(C(=O)N2CCN(CCO)CC2)C[NH2+]C1 ZINC000331985928 167865578 /nfs/dbraw/zinc/86/55/78/167865578.db2.gz OSMOKSDNLLEXTP-UHFFFAOYSA-N 1 0 227.308 -1.268 20 0 BAADRO CC(C)NC(=O)CN(C)CC(=O)N1CC(O)C1 ZINC000332036842 167046938 /nfs/dbraw/zinc/04/69/38/167046938.db2.gz KRRKHWUPYNAQHI-UHFFFAOYSA-N 1 0 243.307 -1.354 20 0 BAADRO CN1CCO[C@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000332186583 173108247 /nfs/dbraw/zinc/10/82/47/173108247.db2.gz XZWRSMUSDUHEOH-HLTSFMKQSA-N 1 0 213.281 -1.220 20 0 BAADRO CNS(=O)(=O)NCC(=O)NCC[NH+](C)C ZINC000332427475 383947042 /nfs/dbraw/zinc/94/70/42/383947042.db2.gz AKZFHHAHNNEEES-UHFFFAOYSA-N 1 0 238.313 -2.282 20 0 BAADRO CN(CC(C)(CO)CO)C(=O)C[NH+](C)C ZINC000332429248 383949857 /nfs/dbraw/zinc/94/98/57/383949857.db2.gz BCDFTSDDXDKBOS-UHFFFAOYSA-N 1 0 218.297 -1.003 20 0 BAADRO C[N@H+](CCCO)CCNS(C)(=O)=O ZINC000332432288 383951357 /nfs/dbraw/zinc/95/13/57/383951357.db2.gz BZNBXKPIBKKJAZ-UHFFFAOYSA-N 1 0 210.299 -1.150 20 0 BAADRO CNC(=O)NCC(=O)NCCC[NH+](C)C ZINC000332435648 173289821 /nfs/dbraw/zinc/28/98/21/173289821.db2.gz CVGOGGRWMIHKIN-UHFFFAOYSA-N 1 0 216.285 -1.017 20 0 BAADRO CNS(=O)(=O)CC(=O)NCCC[NH+](C)C ZINC000332446346 386978702 /nfs/dbraw/zinc/97/87/02/386978702.db2.gz FTQQBMUJJHZEOY-UHFFFAOYSA-N 1 0 237.325 -1.397 20 0 BAADRO CNS(=O)(=O)CC(=O)NCC[NH+](C)C ZINC000332468023 384006992 /nfs/dbraw/zinc/00/69/92/384006992.db2.gz KSWVNNGOFKESQO-UHFFFAOYSA-N 1 0 223.298 -1.787 20 0 BAADRO CNS(=O)(=O)CC(=O)N(C)CC[NH+](C)C ZINC000332488385 384033817 /nfs/dbraw/zinc/03/38/17/384033817.db2.gz QBSONAVENXTZIH-UHFFFAOYSA-N 1 0 237.325 -1.444 20 0 BAADRO C[NH+](C)CC(=O)NCCCNS(C)(=O)=O ZINC000332489233 386986443 /nfs/dbraw/zinc/98/64/43/386986443.db2.gz DXQYDDNKBYIHFA-UHFFFAOYSA-N 1 0 237.325 -1.397 20 0 BAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)C[NH+](C)C ZINC000332494357 386986179 /nfs/dbraw/zinc/98/61/79/386986179.db2.gz GHIWTTRHLPZXKB-ZETCQYMHSA-N 1 0 237.325 -1.398 20 0 BAADRO CNC(=O)NCC(=O)NCC[NH+](C)C ZINC000332498336 173289912 /nfs/dbraw/zinc/28/99/12/173289912.db2.gz SOHTUDYSICAMSU-UHFFFAOYSA-N 1 0 202.258 -1.407 20 0 BAADRO CN(C)C(=O)C[N@H+](C)CCC(=O)NC(N)=O ZINC000332507380 384064502 /nfs/dbraw/zinc/06/45/02/384064502.db2.gz WBLZKAAJRVBRHA-UHFFFAOYSA-N 1 0 230.268 -1.409 20 0 BAADRO CN(CC[NH+](C)C)C(=O)CNC(N)=O ZINC000332507444 384064031 /nfs/dbraw/zinc/06/40/31/384064031.db2.gz WCYNGSFXUFANDU-UHFFFAOYSA-N 1 0 202.258 -1.325 20 0 BAADRO CNC(=O)NCC(=O)N(C)CC[NH+](C)C ZINC000332509280 173289559 /nfs/dbraw/zinc/28/95/59/173289559.db2.gz WVOUMLAEMWSZRX-UHFFFAOYSA-N 1 0 216.285 -1.065 20 0 BAADRO CNC(=O)NCC(=O)N[C@@H](C)C[NH+](C)C ZINC000332532847 173289924 /nfs/dbraw/zinc/28/99/24/173289924.db2.gz YXDWYSQXYIQBCD-ZETCQYMHSA-N 1 0 216.285 -1.018 20 0 BAADRO CN1C[C@H](NC(=O)C2(C)C[NH2+]C2)CC1=O ZINC000333234744 173192433 /nfs/dbraw/zinc/19/24/33/173192433.db2.gz CSTVBAYDLCJWQR-SSDOTTSWSA-N 1 0 211.265 -1.057 20 0 BAADRO CN1C[C@@H](NC(=O)C2(C)C[NH2+]C2)CC1=O ZINC000333234745 173183313 /nfs/dbraw/zinc/18/33/13/173183313.db2.gz CSTVBAYDLCJWQR-ZETCQYMHSA-N 1 0 211.265 -1.057 20 0 BAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCCn1ncnn1 ZINC000333459994 173025453 /nfs/dbraw/zinc/02/54/53/173025453.db2.gz PIVQKXOPSCZRGC-MRVPVSSYSA-N 1 0 224.268 -1.117 20 0 BAADRO C[N@@H+]1CCC[C@H]1C(=O)NCCn1ncnn1 ZINC000333459995 173049829 /nfs/dbraw/zinc/04/98/29/173049829.db2.gz PIVQKXOPSCZRGC-QMMMGPOBSA-N 1 0 224.268 -1.117 20 0 BAADRO C[NH+](C)C1CN(C(=O)C2(NC(N)=O)CC2)C1 ZINC000334453686 386099281 /nfs/dbraw/zinc/09/92/81/386099281.db2.gz UEAPAZKYVHQOMS-UHFFFAOYSA-N 1 0 226.280 -1.040 20 0 BAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CNC(=O)C2)C1 ZINC000334471704 353115596 /nfs/dbraw/zinc/11/55/96/353115596.db2.gz HCYKXBDZKRUEGD-HTQZYQBOSA-N 1 0 211.265 -1.057 20 0 BAADRO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CNC(=O)C2)C1 ZINC000334471706 353115579 /nfs/dbraw/zinc/11/55/79/353115579.db2.gz HCYKXBDZKRUEGD-JGVFFNPUSA-N 1 0 211.265 -1.057 20 0 BAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CNC(=O)C2)C1 ZINC000334471708 353115629 /nfs/dbraw/zinc/11/56/29/353115629.db2.gz HCYKXBDZKRUEGD-SFYZADRCSA-N 1 0 211.265 -1.057 20 0 BAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CNC(=O)C2)C1 ZINC000334471710 353115619 /nfs/dbraw/zinc/11/56/19/353115619.db2.gz HCYKXBDZKRUEGD-YUMQZZPRSA-N 1 0 211.265 -1.057 20 0 BAADRO C[C@@H]1CCN(C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000334603439 354283490 /nfs/dbraw/zinc/28/34/90/354283490.db2.gz RQUYNCYCWVSLFL-SSDOTTSWSA-N 1 0 211.265 -1.057 20 0 BAADRO C[C@H]1CCN(C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000334603443 135776711 /nfs/dbraw/zinc/77/67/11/135776711.db2.gz RQUYNCYCWVSLFL-ZETCQYMHSA-N 1 0 211.265 -1.057 20 0 BAADRO O=C(NC1C[NH2+]C1)C(=O)N1C[C@@H]2C[C@H]1CS2 ZINC000334605006 135778447 /nfs/dbraw/zinc/77/84/47/135778447.db2.gz ZISXZGWEIRKMJC-YUMQZZPRSA-N 1 0 241.316 -1.209 20 0 BAADRO CC1CC(NC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000334952871 387030460 /nfs/dbraw/zinc/03/04/60/387030460.db2.gz WBGBDTWJRMMMOU-UHFFFAOYSA-N 1 0 211.265 -1.011 20 0 BAADRO O=C(NC1C[NH2+]C1)C(=O)N1CCC(F)(F)C1 ZINC000334974377 387059700 /nfs/dbraw/zinc/05/97/00/387059700.db2.gz KKMZMIXNJMKNTN-UHFFFAOYSA-N 1 0 233.218 -1.058 20 0 BAADRO O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000335033376 385921736 /nfs/dbraw/zinc/92/17/36/385921736.db2.gz IPNXBRAZPQYMAS-RNLVFQAGSA-N 1 0 223.276 -1.011 20 0 BAADRO CN1CCN(C(=O)C2(C)C[NH2+]C2)CC1=O ZINC000335057543 388447005 /nfs/dbraw/zinc/44/70/05/388447005.db2.gz GEWBOJLHJWSYKC-UHFFFAOYSA-N 1 0 211.265 -1.104 20 0 BAADRO C[C@H](NC(N)=O)C(=O)N1CC([NH+](C)C)C1 ZINC000335206504 135956599 /nfs/dbraw/zinc/95/65/99/135956599.db2.gz KYROFXOAXNPFRO-LURJTMIESA-N 1 0 214.269 -1.184 20 0 BAADRO CC1(C)C[C@H]1NC(=O)C(=O)NC1C[NH2+]C1 ZINC000335288713 355259446 /nfs/dbraw/zinc/25/94/46/355259446.db2.gz RFVOEPBDQATQFD-SSDOTTSWSA-N 1 0 211.265 -1.011 20 0 BAADRO CC1(C)C[C@@H]1NC(=O)C(=O)NC1C[NH2+]C1 ZINC000335288714 355259325 /nfs/dbraw/zinc/25/93/25/355259325.db2.gz RFVOEPBDQATQFD-ZETCQYMHSA-N 1 0 211.265 -1.011 20 0 BAADRO CC1(C(=O)N2CC[C@@H](NC(N)=O)C2)C[NH2+]C1 ZINC000335378694 535276881 /nfs/dbraw/zinc/27/68/81/535276881.db2.gz GHOXEAKUYJESMJ-SSDOTTSWSA-N 1 0 226.280 -1.135 20 0 BAADRO CC1(C(=O)N2CC[C@H](NC(N)=O)C2)C[NH2+]C1 ZINC000335378697 136086157 /nfs/dbraw/zinc/08/61/57/136086157.db2.gz GHOXEAKUYJESMJ-ZETCQYMHSA-N 1 0 226.280 -1.135 20 0 BAADRO O=C(NC1C[NH2+]C1)N1CCN(C2CC2)C(=O)C1 ZINC000335380268 136087379 /nfs/dbraw/zinc/08/73/79/136087379.db2.gz ZBFLEEAVRQKWDS-UHFFFAOYSA-N 1 0 238.291 -1.026 20 0 BAADRO CN(C)C(=O)N1CCN(C(=O)NCC[NH3+])CC1 ZINC000335484401 172377924 /nfs/dbraw/zinc/37/79/24/172377924.db2.gz BFHDPANVJDTMIY-UHFFFAOYSA-N 1 0 243.311 -1.046 20 0 BAADRO CN1CC[C@@H](NC(=O)C2(C)C[NH2+]C2)C1=O ZINC000335647400 536452376 /nfs/dbraw/zinc/45/23/76/536452376.db2.gz CHIXEWXKXYMHQF-SSDOTTSWSA-N 1 0 211.265 -1.057 20 0 BAADRO CN1CC[C@H](NC(=O)C2(C)C[NH2+]C2)C1=O ZINC000335647401 134851204 /nfs/dbraw/zinc/85/12/04/134851204.db2.gz CHIXEWXKXYMHQF-ZETCQYMHSA-N 1 0 211.265 -1.057 20 0 BAADRO CC1(C(=O)N2CCN3C(=O)NC[C@@H]3C2)C[NH2+]C1 ZINC000335650479 136304939 /nfs/dbraw/zinc/30/49/39/136304939.db2.gz RWQGRYDGYJGJTP-MRVPVSSYSA-N 1 0 238.291 -1.168 20 0 BAADRO CC1(C(=O)N2CCN3C(=O)NC[C@H]3C2)C[NH2+]C1 ZINC000335650480 136304795 /nfs/dbraw/zinc/30/47/95/136304795.db2.gz RWQGRYDGYJGJTP-QMMMGPOBSA-N 1 0 238.291 -1.168 20 0 BAADRO O=C(CN1CSCC1=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000335878812 355650317 /nfs/dbraw/zinc/65/03/17/355650317.db2.gz QXDLZIVGCWNWIX-MTBHXBHISA-N 1 0 241.316 -1.147 20 0 BAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCNC(=O)C2)C1 ZINC000336336940 173109391 /nfs/dbraw/zinc/10/93/91/173109391.db2.gz MCRYWSJNXPFRLE-MRVPVSSYSA-N 1 0 211.265 -1.104 20 0 BAADRO C[N@@H+]1CC[C@H](C(=O)N2CCNC(=O)C2)C1 ZINC000336336941 173141266 /nfs/dbraw/zinc/14/12/66/173141266.db2.gz MCRYWSJNXPFRLE-QMMMGPOBSA-N 1 0 211.265 -1.104 20 0 BAADRO O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCNC(=O)C1 ZINC000336424359 182758600 /nfs/dbraw/zinc/75/86/00/182758600.db2.gz JZVOCUGYYIMSQT-GZMMTYOYSA-N 1 0 223.276 -1.056 20 0 BAADRO O=C([C@H]1C[C@]12CC[NH2+]C2)N1CCNC(=O)C1 ZINC000336424381 383858731 /nfs/dbraw/zinc/85/87/31/383858731.db2.gz JZVOCUGYYIMSQT-KCJUWKMLSA-N 1 0 223.276 -1.056 20 0 BAADRO O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCNC(=O)C1 ZINC000336424382 383858153 /nfs/dbraw/zinc/85/81/53/383858153.db2.gz JZVOCUGYYIMSQT-KWQFWETISA-N 1 0 223.276 -1.056 20 0 BAADRO O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CCNC(=O)C1 ZINC000336424384 182758020 /nfs/dbraw/zinc/75/80/20/182758020.db2.gz JZVOCUGYYIMSQT-LDYMZIIASA-N 1 0 223.276 -1.056 20 0 BAADRO CNC(=O)NCC(=O)N1CC([NH+](C)C)C1 ZINC000336587464 173289599 /nfs/dbraw/zinc/28/95/99/173289599.db2.gz REJGJAMQUGJRTD-UHFFFAOYSA-N 1 0 214.269 -1.312 20 0 BAADRO COC(=O)[C@](C)(O)C[N@H+](CCO)C[C@@H](C)O ZINC000336643428 386155064 /nfs/dbraw/zinc/15/50/64/386155064.db2.gz AUROBLZJEQVYBE-PSASIEDQSA-N 1 0 235.280 -1.415 20 0 BAADRO COC(=O)[C@@](C)(O)C[N@H+](CCO)C[C@@H](C)O ZINC000336643437 386155802 /nfs/dbraw/zinc/15/58/02/386155802.db2.gz AUROBLZJEQVYBE-SCZZXKLOSA-N 1 0 235.280 -1.415 20 0 BAADRO COC(=O)[C@](C)(O)C[N@H+](CCO)C[C@H](C)O ZINC000336643438 386155852 /nfs/dbraw/zinc/15/58/52/386155852.db2.gz AUROBLZJEQVYBE-WCBMZHEXSA-N 1 0 235.280 -1.415 20 0 BAADRO COC(=O)[C@@](C)(O)C[N@H+](CCO)C[C@H](C)O ZINC000336643439 386156201 /nfs/dbraw/zinc/15/62/01/386156201.db2.gz AUROBLZJEQVYBE-WPRPVWTQSA-N 1 0 235.280 -1.415 20 0 BAADRO CC(C)(C)[C@@H]([NH2+]CC(=O)NC(N)=O)C(N)=O ZINC000336645454 166697382 /nfs/dbraw/zinc/69/73/82/166697382.db2.gz ATSBMLKJCAXXJO-LURJTMIESA-N 1 0 230.268 -1.329 20 0 BAADRO CC(C)(C)[C@H]([NH2+]CC(=O)NC(N)=O)C(N)=O ZINC000336645459 188162631 /nfs/dbraw/zinc/16/26/31/188162631.db2.gz ATSBMLKJCAXXJO-ZCFIWIBFSA-N 1 0 230.268 -1.329 20 0 BAADRO C[N@H+](CCCO)CCCS(N)(=O)=O ZINC000336645668 386252563 /nfs/dbraw/zinc/25/25/63/386252563.db2.gz YRFHQMHWZZBWRL-UHFFFAOYSA-N 1 0 210.299 -1.021 20 0 BAADRO CC[N@H+](CCO)CCNS(N)(=O)=O ZINC000336648974 386701577 /nfs/dbraw/zinc/70/15/77/386701577.db2.gz GVDXFKYYCBWUPI-UHFFFAOYSA-N 1 0 211.287 -1.906 20 0 BAADRO C[C@@H](O)C[N@H+](CCO)CCOCCO ZINC000336650261 385610176 /nfs/dbraw/zinc/61/01/76/385610176.db2.gz AMUXITXPGOFQRV-SECBINFHSA-N 1 0 207.270 -1.330 20 0 BAADRO C[C@H](O)C[N@H+](CCO)CCOCCO ZINC000336650262 385609447 /nfs/dbraw/zinc/60/94/47/385609447.db2.gz AMUXITXPGOFQRV-VIFPVBQESA-N 1 0 207.270 -1.330 20 0 BAADRO C[N@H+](C[C@@H](O)CN(CCO)CCO)C1CC1 ZINC000336650758 385619464 /nfs/dbraw/zinc/61/94/64/385619464.db2.gz HQKHNMPYEFQKIW-LLVKDONJSA-N 1 0 232.324 -1.272 20 0 BAADRO C[N@H+](C[C@H](O)CN(CCO)CCO)C1CC1 ZINC000336650759 385620199 /nfs/dbraw/zinc/62/01/99/385620199.db2.gz HQKHNMPYEFQKIW-NSHDSACASA-N 1 0 232.324 -1.272 20 0 BAADRO COC(=O)CSCCNC(=O)C[NH3+] ZINC000336655439 385759152 /nfs/dbraw/zinc/75/91/52/385759152.db2.gz NTCSTBFMCIVCSJ-UHFFFAOYSA-N 1 0 206.267 -1.033 20 0 BAADRO CCS(=O)(=O)NCCNC(=O)C[NH2+]C ZINC000336656683 385786761 /nfs/dbraw/zinc/78/67/61/385786761.db2.gz ALVFJMGRTXZHGY-UHFFFAOYSA-N 1 0 223.298 -1.739 20 0 BAADRO CO[C@@H](C[NH3+])CC(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000336657470 187305483 /nfs/dbraw/zinc/30/54/83/187305483.db2.gz MAGVPEHKMKGYIG-HTQZYQBOSA-N 1 0 229.280 -1.303 20 0 BAADRO CO[C@@H](C[NH3+])CC(=O)N[C@H]1CC(=O)N(C)C1 ZINC000336657486 188438558 /nfs/dbraw/zinc/43/85/58/188438558.db2.gz MAGVPEHKMKGYIG-JGVFFNPUSA-N 1 0 229.280 -1.303 20 0 BAADRO CO[C@H](C[NH3+])CC(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000336657487 388072420 /nfs/dbraw/zinc/07/24/20/388072420.db2.gz MAGVPEHKMKGYIG-SFYZADRCSA-N 1 0 229.280 -1.303 20 0 BAADRO CO[C@H](C[NH3+])CC(=O)N[C@H]1CC(=O)N(C)C1 ZINC000336657488 388072530 /nfs/dbraw/zinc/07/25/30/388072530.db2.gz MAGVPEHKMKGYIG-YUMQZZPRSA-N 1 0 229.280 -1.303 20 0 BAADRO C[C@H](CO)[N@H+](C)CCCS(N)(=O)=O ZINC000336660385 388093804 /nfs/dbraw/zinc/09/38/04/388093804.db2.gz ULNHUSQEOFXXSH-SSDOTTSWSA-N 1 0 210.299 -1.022 20 0 BAADRO C[C@@H](O)C[N@H+](CCO)CCNS(C)(=O)=O ZINC000336662671 386282712 /nfs/dbraw/zinc/28/27/12/386282712.db2.gz CPCNXGXRCDSGQA-MRVPVSSYSA-N 1 0 240.325 -1.789 20 0 BAADRO C[C@H](O)C[N@H+](CCO)CCNS(C)(=O)=O ZINC000336662679 386281236 /nfs/dbraw/zinc/28/12/36/386281236.db2.gz CPCNXGXRCDSGQA-QMMMGPOBSA-N 1 0 240.325 -1.789 20 0 BAADRO C[NH2+]CC(=O)N[C@](C)(COC)C(=O)OC ZINC000336665654 173333111 /nfs/dbraw/zinc/33/31/11/173333111.db2.gz DZOSWVCCCQECGM-SECBINFHSA-N 1 0 218.253 -1.100 20 0 BAADRO C[NH2+]CC(=O)N[C@@](C)(COC)C(=O)OC ZINC000336665665 173332028 /nfs/dbraw/zinc/33/20/28/173332028.db2.gz DZOSWVCCCQECGM-VIFPVBQESA-N 1 0 218.253 -1.100 20 0 BAADRO COC(=O)C[C@@H](NC(=O)[C@H](C)[NH3+])C(=O)OC ZINC000336665712 384759119 /nfs/dbraw/zinc/75/91/19/384759119.db2.gz PSGWRENWDOLBOT-NTSWFWBYSA-N 1 0 232.236 -1.446 20 0 BAADRO COC(=O)C[C@@H](NC(=O)[C@@H](C)[NH3+])C(=O)OC ZINC000336665760 386770615 /nfs/dbraw/zinc/77/06/15/386770615.db2.gz PSGWRENWDOLBOT-PHDIDXHHSA-N 1 0 232.236 -1.446 20 0 BAADRO COC(=O)C[C@H](NC(=O)[C@@H](C)[NH3+])C(=O)OC ZINC000336665761 386770475 /nfs/dbraw/zinc/77/04/75/386770475.db2.gz PSGWRENWDOLBOT-RITPCOANSA-N 1 0 232.236 -1.446 20 0 BAADRO COC(=O)C[C@H](NC(=O)[C@H](C)[NH3+])C(=O)OC ZINC000336665762 384757703 /nfs/dbraw/zinc/75/77/03/384757703.db2.gz PSGWRENWDOLBOT-WDSKDSINSA-N 1 0 232.236 -1.446 20 0 BAADRO CC[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC000336667440 170114549 /nfs/dbraw/zinc/11/45/49/170114549.db2.gz FTCKHMMIOLHQGI-SSDOTTSWSA-N 1 0 237.325 -1.350 20 0 BAADRO CC[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC000336667442 170114388 /nfs/dbraw/zinc/11/43/88/170114388.db2.gz FTCKHMMIOLHQGI-ZETCQYMHSA-N 1 0 237.325 -1.350 20 0 BAADRO CC1(C[N@@H+]2CC[C@@](O)(C(N)=O)C2)COC1 ZINC000336668077 168026076 /nfs/dbraw/zinc/02/60/76/168026076.db2.gz FBEQICIGGUWWGZ-JTQLQIEISA-N 1 0 214.265 -1.055 20 0 BAADRO CC1(C[N@@H+]2CC[C@](O)(C(N)=O)C2)COC1 ZINC000336668078 168027087 /nfs/dbraw/zinc/02/70/87/168027087.db2.gz FBEQICIGGUWWGZ-SNVBAGLBSA-N 1 0 214.265 -1.055 20 0 BAADRO CNS(=O)(=O)CCC[N@@H+]1CC[C@@H](O)C1 ZINC000336669404 386293499 /nfs/dbraw/zinc/29/34/99/386293499.db2.gz CWASEDFIIZRKSP-MRVPVSSYSA-N 1 0 222.310 -1.008 20 0 BAADRO O=C(NC1CC1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000336670180 182094978 /nfs/dbraw/zinc/09/49/78/182094978.db2.gz GRLCXYGOQXGRMT-JIGDXULJSA-N 1 0 209.249 -1.401 20 0 BAADRO [NH3+]CCCNC(=O)CN1CCCS1(=O)=O ZINC000336671202 181380822 /nfs/dbraw/zinc/38/08/22/181380822.db2.gz NRLPSXFCKKRYSW-UHFFFAOYSA-N 1 0 235.309 -1.513 20 0 BAADRO C[NH+](C)CC(=O)NCCNc1cnccn1 ZINC000336672022 412154794 /nfs/dbraw/zinc/15/47/94/412154794.db2.gz ACNYBCFTEVWPLL-UHFFFAOYSA-N 1 0 223.280 -0.434 20 0 BAADRO COC[C@@H](O)C[N@H+](CCO)C[C@@H](C)O ZINC000336672695 386821807 /nfs/dbraw/zinc/82/18/07/386821807.db2.gz ASCUTADUIYZLPM-BDAKNGLRSA-N 1 0 207.270 -1.331 20 0 BAADRO COC[C@H](O)C[N@H+](CCO)C[C@H](C)O ZINC000336672699 386820217 /nfs/dbraw/zinc/82/02/17/386820217.db2.gz ASCUTADUIYZLPM-DTWKUNHWSA-N 1 0 207.270 -1.331 20 0 BAADRO COC[C@@H](O)C[N@H+](CCO)C[C@H](C)O ZINC000336672701 386820578 /nfs/dbraw/zinc/82/05/78/386820578.db2.gz ASCUTADUIYZLPM-IUCAKERBSA-N 1 0 207.270 -1.331 20 0 BAADRO COC[C@H](O)C[N@H+](CCO)C[C@@H](C)O ZINC000336672710 386822166 /nfs/dbraw/zinc/82/21/66/386822166.db2.gz ASCUTADUIYZLPM-RKDXNWHRSA-N 1 0 207.270 -1.331 20 0 BAADRO C[C@@H]1C[C@@H](O)C[N@@H+]1CCNS(C)(=O)=O ZINC000336673736 176383145 /nfs/dbraw/zinc/38/31/45/176383145.db2.gz PWHUHLYSFSZXPL-HTQZYQBOSA-N 1 0 222.310 -1.009 20 0 BAADRO C[C@H]1C[C@@H](O)C[N@@H+]1CCNS(C)(=O)=O ZINC000336673739 177336814 /nfs/dbraw/zinc/33/68/14/177336814.db2.gz PWHUHLYSFSZXPL-JGVFFNPUSA-N 1 0 222.310 -1.009 20 0 BAADRO C[C@@H]1C[C@H](O)C[N@@H+]1CCNS(C)(=O)=O ZINC000336673740 386306011 /nfs/dbraw/zinc/30/60/11/386306011.db2.gz PWHUHLYSFSZXPL-SFYZADRCSA-N 1 0 222.310 -1.009 20 0 BAADRO C[C@H]1C[C@H](O)C[N@@H+]1CCNS(C)(=O)=O ZINC000336673741 177374079 /nfs/dbraw/zinc/37/40/79/177374079.db2.gz PWHUHLYSFSZXPL-YUMQZZPRSA-N 1 0 222.310 -1.009 20 0 BAADRO C[C@@H]([NH3+])CCNC(=O)[C@H]1COCCN1 ZINC000336674280 175805120 /nfs/dbraw/zinc/80/51/20/175805120.db2.gz ADVUNIAXGCISIF-HTQZYQBOSA-N 1 0 201.270 -1.172 20 0 BAADRO C[C@H]([NH3+])CCNC(=O)[C@H]1COCCN1 ZINC000336674333 384875080 /nfs/dbraw/zinc/87/50/80/384875080.db2.gz ADVUNIAXGCISIF-JGVFFNPUSA-N 1 0 201.270 -1.172 20 0 BAADRO C[C@@H]([NH3+])CCNC(=O)[C@@H]1COCCN1 ZINC000336674335 386843048 /nfs/dbraw/zinc/84/30/48/386843048.db2.gz ADVUNIAXGCISIF-SFYZADRCSA-N 1 0 201.270 -1.172 20 0 BAADRO C[C@H]([NH3+])CCNC(=O)[C@@H]1COCCN1 ZINC000336674336 386842239 /nfs/dbraw/zinc/84/22/39/386842239.db2.gz ADVUNIAXGCISIF-YUMQZZPRSA-N 1 0 201.270 -1.172 20 0 BAADRO C[C@@H](O)C[N@H+](CCO)CCN1CCOCC1 ZINC000336676834 385607037 /nfs/dbraw/zinc/60/70/37/385607037.db2.gz VQKZZUHLRIXUHL-LLVKDONJSA-N 1 0 232.324 -1.006 20 0 BAADRO C[C@H](O)C[N@H+](CCO)CCN1CCOCC1 ZINC000336676846 385607048 /nfs/dbraw/zinc/60/70/48/385607048.db2.gz VQKZZUHLRIXUHL-NSHDSACASA-N 1 0 232.324 -1.006 20 0 BAADRO CN(C)S(=O)(=O)CC[N@@H+]1CC[C@H](O)C1 ZINC000336678242 385617531 /nfs/dbraw/zinc/61/75/31/385617531.db2.gz FDASIBNNFSOIFU-QMMMGPOBSA-N 1 0 222.310 -1.056 20 0 BAADRO CN(CCNS(C)(=O)=O)[C@@H]1CCN(C)C1=O ZINC000336678395 173117080 /nfs/dbraw/zinc/11/70/80/173117080.db2.gz ONWAJCZRKOUOEG-MRVPVSSYSA-N 1 0 249.336 -1.302 20 0 BAADRO CN(CCNS(C)(=O)=O)[C@H]1CCN(C)C1=O ZINC000336678404 173148172 /nfs/dbraw/zinc/14/81/72/173148172.db2.gz ONWAJCZRKOUOEG-QMMMGPOBSA-N 1 0 249.336 -1.302 20 0 BAADRO COC[C@@H](C)[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000336682556 398185524 /nfs/dbraw/zinc/18/55/24/398185524.db2.gz IKUBWPLLHNCUCF-APPZFPTMSA-N 1 0 202.254 -1.057 20 0 BAADRO COC[C@H](C)[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000336682574 385642271 /nfs/dbraw/zinc/64/22/71/385642271.db2.gz IKUBWPLLHNCUCF-CBAPKCEASA-N 1 0 202.254 -1.057 20 0 BAADRO COC[C@H](C)[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000336682575 385643442 /nfs/dbraw/zinc/64/34/42/385643442.db2.gz IKUBWPLLHNCUCF-IONNQARKSA-N 1 0 202.254 -1.057 20 0 BAADRO COC[C@@H](C)[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000336682577 174450638 /nfs/dbraw/zinc/45/06/38/174450638.db2.gz IKUBWPLLHNCUCF-VXNVDRBHSA-N 1 0 202.254 -1.057 20 0 BAADRO C[C@H](C(=O)N(C)C)S(=O)(=O)NCCC[NH3+] ZINC000336683000 176557385 /nfs/dbraw/zinc/55/73/85/176557385.db2.gz SERAJLXOKNZPAN-SSDOTTSWSA-N 1 0 237.325 -1.269 20 0 BAADRO C[C@@H](C(=O)N(C)C)S(=O)(=O)NCCC[NH3+] ZINC000336683005 385646666 /nfs/dbraw/zinc/64/66/66/385646666.db2.gz SERAJLXOKNZPAN-ZETCQYMHSA-N 1 0 237.325 -1.269 20 0 BAADRO CN(CCCS(N)(=O)=O)[C@@H]1CCN(C)C1=O ZINC000336684776 173118540 /nfs/dbraw/zinc/11/85/40/173118540.db2.gz UVTOFINWTNHXLP-MRVPVSSYSA-N 1 0 249.336 -1.173 20 0 BAADRO CN(CCCS(N)(=O)=O)[C@H]1CCN(C)C1=O ZINC000336684778 173149370 /nfs/dbraw/zinc/14/93/70/173149370.db2.gz UVTOFINWTNHXLP-QMMMGPOBSA-N 1 0 249.336 -1.173 20 0 BAADRO C[NH2+]CCNS(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000336684840 173357055 /nfs/dbraw/zinc/35/70/55/173357055.db2.gz IAMPGKBZTRZFRY-SSDOTTSWSA-N 1 0 237.325 -1.398 20 0 BAADRO C[NH2+]CCNS(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000336684843 173356994 /nfs/dbraw/zinc/35/69/94/173356994.db2.gz IAMPGKBZTRZFRY-ZETCQYMHSA-N 1 0 237.325 -1.398 20 0 BAADRO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCOCCO ZINC000336686739 173287574 /nfs/dbraw/zinc/28/75/74/173287574.db2.gz FCCVZUDPJNFRLV-MRVPVSSYSA-N 1 0 247.295 -1.229 20 0 BAADRO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCOCCO ZINC000336686740 173288354 /nfs/dbraw/zinc/28/83/54/173288354.db2.gz FCCVZUDPJNFRLV-QMMMGPOBSA-N 1 0 247.295 -1.229 20 0 BAADRO C[NH2+]CCCN1CCN(S(N)(=O)=O)CC1 ZINC000336687494 173346842 /nfs/dbraw/zinc/34/68/42/173346842.db2.gz JKKDPJRCSFZOOA-UHFFFAOYSA-N 1 0 236.341 -1.583 20 0 BAADRO CNC(=O)CC[N@H+](CCO)C[C@@H](C)O ZINC000336688071 173251832 /nfs/dbraw/zinc/25/18/32/173251832.db2.gz NGUSMIVSJUQWSN-MRVPVSSYSA-N 1 0 204.270 -1.202 20 0 BAADRO CNC(=O)CC[N@H+](CCO)C[C@H](C)O ZINC000336688075 173250963 /nfs/dbraw/zinc/25/09/63/173250963.db2.gz NGUSMIVSJUQWSN-QMMMGPOBSA-N 1 0 204.270 -1.202 20 0 BAADRO COCCC[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000336690112 174233709 /nfs/dbraw/zinc/23/37/09/174233709.db2.gz OHJQPJXMNQVREV-SECBINFHSA-N 1 0 202.254 -1.055 20 0 BAADRO COCCC[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000336690113 174233729 /nfs/dbraw/zinc/23/37/29/174233729.db2.gz OHJQPJXMNQVREV-VIFPVBQESA-N 1 0 202.254 -1.055 20 0 BAADRO CCOCC[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000336692182 385735750 /nfs/dbraw/zinc/73/57/50/385735750.db2.gz QBZDJLVQZUBCPV-SECBINFHSA-N 1 0 202.254 -1.055 20 0 BAADRO CCOCC[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000336692183 385735361 /nfs/dbraw/zinc/73/53/61/385735361.db2.gz QBZDJLVQZUBCPV-VIFPVBQESA-N 1 0 202.254 -1.055 20 0 BAADRO C[NH2+]CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC000336695348 173354698 /nfs/dbraw/zinc/35/46/98/173354698.db2.gz LQDLIGRDKIDNFC-UHFFFAOYSA-N 1 0 237.325 -1.350 20 0 BAADRO CN(C(=O)C[N@@H+]1CC[C@](O)(C(N)=O)C1)C1CC1 ZINC000336696872 172309714 /nfs/dbraw/zinc/30/97/14/172309714.db2.gz JBLZOXDYXXSTET-LLVKDONJSA-N 1 0 241.291 -1.471 20 0 BAADRO CN(C(=O)C[N@@H+]1CC[C@@](O)(C(N)=O)C1)C1CC1 ZINC000336696873 172310215 /nfs/dbraw/zinc/31/02/15/172310215.db2.gz JBLZOXDYXXSTET-NSHDSACASA-N 1 0 241.291 -1.471 20 0 BAADRO CC[C@H](C)NC(=O)CN1CC[C@](O)(C(N)=O)C1 ZINC000336697050 171324614 /nfs/dbraw/zinc/32/46/14/171324614.db2.gz JFORQGVZHNJIPD-GZMMTYOYSA-N 1 0 243.307 -1.177 20 0 BAADRO CC[C@H](C)NC(=O)CN1CC[C@@](O)(C(N)=O)C1 ZINC000336697060 171325941 /nfs/dbraw/zinc/32/59/41/171325941.db2.gz JFORQGVZHNJIPD-KWQFWETISA-N 1 0 243.307 -1.177 20 0 BAADRO C[C@H](C[NH3+])NC(=O)C(C)(C)NS(C)(=O)=O ZINC000336699579 176660567 /nfs/dbraw/zinc/66/05/67/176660567.db2.gz ZUHLLZJUTBLVNZ-ZCFIWIBFSA-N 1 0 237.325 -1.222 20 0 BAADRO CN(C)S(=O)(=O)NCCOCC[NH+](C)C ZINC000336699842 385759072 /nfs/dbraw/zinc/75/90/72/385759072.db2.gz OZTFRAGNXYORKP-UHFFFAOYSA-N 1 0 239.341 -1.039 20 0 BAADRO COC(=O)CNC(=O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000336703005 386412170 /nfs/dbraw/zinc/41/21/70/386412170.db2.gz BEURLWZMAVWONK-SECBINFHSA-N 1 0 245.279 -1.625 20 0 BAADRO CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NCC[C@@H](C)O ZINC000336705107 386396571 /nfs/dbraw/zinc/39/65/71/386396571.db2.gz DMTOINZEKAXIGQ-PSASIEDQSA-N 1 0 245.323 -1.027 20 0 BAADRO CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NCC[C@H](C)O ZINC000336705120 386396628 /nfs/dbraw/zinc/39/66/28/386396628.db2.gz DMTOINZEKAXIGQ-WCBMZHEXSA-N 1 0 245.323 -1.027 20 0 BAADRO C[NH2+][C@@H](C)CNC(=O)[C@H](C)NS(C)(=O)=O ZINC000336705535 173415609 /nfs/dbraw/zinc/41/56/09/173415609.db2.gz PLEDQBZMQYSMQF-BQBZGAKWSA-N 1 0 237.325 -1.352 20 0 BAADRO C[NH2+][C@@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC000336705540 388464964 /nfs/dbraw/zinc/46/49/64/388464964.db2.gz PLEDQBZMQYSMQF-NKWVEPMBSA-N 1 0 237.325 -1.352 20 0 BAADRO C[NH2+][C@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC000336705541 388465399 /nfs/dbraw/zinc/46/53/99/388465399.db2.gz PLEDQBZMQYSMQF-RNFRBKRXSA-N 1 0 237.325 -1.352 20 0 BAADRO C[NH2+][C@H](C)CNC(=O)[C@H](C)NS(C)(=O)=O ZINC000336705542 173446257 /nfs/dbraw/zinc/44/62/57/173446257.db2.gz PLEDQBZMQYSMQF-RQJHMYQMSA-N 1 0 237.325 -1.352 20 0 BAADRO CC[NH2+][C@H](C)CNC(=O)CS(=O)(=O)NC ZINC000336705760 170158113 /nfs/dbraw/zinc/15/81/13/170158113.db2.gz PNHVJSVDDDQWQQ-SSDOTTSWSA-N 1 0 237.325 -1.350 20 0 BAADRO CC[NH2+][C@@H](C)CNC(=O)CS(=O)(=O)NC ZINC000336705763 170139074 /nfs/dbraw/zinc/13/90/74/170139074.db2.gz PNHVJSVDDDQWQQ-ZETCQYMHSA-N 1 0 237.325 -1.350 20 0 BAADRO C[NH2+]CC(=O)NCCS(=O)(=O)NC(C)C ZINC000336711455 173329563 /nfs/dbraw/zinc/32/95/63/173329563.db2.gz SHFVOZMTMUAXKR-UHFFFAOYSA-N 1 0 237.325 -1.350 20 0 BAADRO C[C@@H](O)C[N@H+](CCO)C[C@@H](O)Cn1cccn1 ZINC000336711781 386424902 /nfs/dbraw/zinc/42/49/02/386424902.db2.gz NQRFBSGGNPTHIQ-GHMZBOCLSA-N 1 0 243.307 -1.081 20 0 BAADRO C[C@@H](O)C[N@H+](CCO)C[C@H](O)Cn1cccn1 ZINC000336711782 386426971 /nfs/dbraw/zinc/42/69/71/386426971.db2.gz NQRFBSGGNPTHIQ-MNOVXSKESA-N 1 0 243.307 -1.081 20 0 BAADRO C[C@H](O)C[N@H+](CCO)C[C@H](O)Cn1cccn1 ZINC000336711783 386426271 /nfs/dbraw/zinc/42/62/71/386426271.db2.gz NQRFBSGGNPTHIQ-QWRGUYRKSA-N 1 0 243.307 -1.081 20 0 BAADRO C[C@H](O)C[N@H+](CCO)C[C@@H](O)Cn1cccn1 ZINC000336711784 386425077 /nfs/dbraw/zinc/42/50/77/386425077.db2.gz NQRFBSGGNPTHIQ-WDEREUQCSA-N 1 0 243.307 -1.081 20 0 BAADRO CCS(=O)(=O)NCCCNC(=O)C[NH2+]C ZINC000336714332 385810248 /nfs/dbraw/zinc/81/02/48/385810248.db2.gz UYTDUTNLESGAGQ-UHFFFAOYSA-N 1 0 237.325 -1.349 20 0 BAADRO CCS(=O)(=O)NCCNC(=O)CC[NH2+]C ZINC000336715188 170617678 /nfs/dbraw/zinc/61/76/78/170617678.db2.gz VKXYAQVKZQPKRB-UHFFFAOYSA-N 1 0 237.325 -1.349 20 0 BAADRO CC[N@H+](CCOCCO)CC(=O)NC(=O)NC ZINC000336720382 387580026 /nfs/dbraw/zinc/58/00/26/387580026.db2.gz WONPCCMUKCNGGG-UHFFFAOYSA-N 1 0 247.295 -1.227 20 0 BAADRO CC(C)(C)NC(=O)C[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000336721207 388469305 /nfs/dbraw/zinc/46/93/05/388469305.db2.gz XFPJDGDOBBXRFT-LLVKDONJSA-N 1 0 243.307 -1.177 20 0 BAADRO CC(C)(C)NC(=O)C[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000336721208 388469348 /nfs/dbraw/zinc/46/93/48/388469348.db2.gz XFPJDGDOBBXRFT-NSHDSACASA-N 1 0 243.307 -1.177 20 0 BAADRO C[C@@H](CC[NH3+])NC(=O)[C@H](C)NS(C)(=O)=O ZINC000336722717 386165013 /nfs/dbraw/zinc/16/50/13/386165013.db2.gz ATHRCJDYKSBTSQ-BQBZGAKWSA-N 1 0 237.325 -1.222 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000336722718 385483982 /nfs/dbraw/zinc/48/39/82/385483982.db2.gz ATHRCJDYKSBTSQ-NKWVEPMBSA-N 1 0 237.325 -1.222 20 0 BAADRO C[C@H](CC[NH3+])NC(=O)[C@@H](C)NS(C)(=O)=O ZINC000336722719 176627543 /nfs/dbraw/zinc/62/75/43/176627543.db2.gz ATHRCJDYKSBTSQ-RNFRBKRXSA-N 1 0 237.325 -1.222 20 0 BAADRO C[C@H](CC[NH3+])NC(=O)[C@H](C)NS(C)(=O)=O ZINC000336722720 386164688 /nfs/dbraw/zinc/16/46/88/386164688.db2.gz ATHRCJDYKSBTSQ-RQJHMYQMSA-N 1 0 237.325 -1.222 20 0 BAADRO C[C@@H](C[NH3+])CNC(=O)[C@H](C)NS(C)(=O)=O ZINC000336722762 175708035 /nfs/dbraw/zinc/70/80/35/175708035.db2.gz AVVGHFHSUFCPPG-BQBZGAKWSA-N 1 0 237.325 -1.365 20 0 BAADRO CC[N@H+](CCOCCO)CCC(=O)NC(N)=O ZINC000336722770 387581818 /nfs/dbraw/zinc/58/18/18/387581818.db2.gz YFCMYZZOAQXJDG-UHFFFAOYSA-N 1 0 247.295 -1.098 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000336722772 386154716 /nfs/dbraw/zinc/15/47/16/386154716.db2.gz AVVGHFHSUFCPPG-NKWVEPMBSA-N 1 0 237.325 -1.365 20 0 BAADRO C[C@H](C[NH3+])CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC000336722773 386154916 /nfs/dbraw/zinc/15/49/16/386154916.db2.gz AVVGHFHSUFCPPG-RNFRBKRXSA-N 1 0 237.325 -1.365 20 0 BAADRO C[C@H](C[NH3+])CNC(=O)[C@H](C)NS(C)(=O)=O ZINC000336722775 386156032 /nfs/dbraw/zinc/15/60/32/386156032.db2.gz AVVGHFHSUFCPPG-RQJHMYQMSA-N 1 0 237.325 -1.365 20 0 BAADRO CCS(=O)(=O)NCCNC(=O)C[C@@H](C)[NH3+] ZINC000336722829 398224188 /nfs/dbraw/zinc/22/41/88/398224188.db2.gz AYRVZFGFOFMZNF-SSDOTTSWSA-N 1 0 237.325 -1.221 20 0 BAADRO CCS(=O)(=O)NCCNC(=O)C[C@H](C)[NH3+] ZINC000336722849 386207328 /nfs/dbraw/zinc/20/73/28/386207328.db2.gz AYRVZFGFOFMZNF-ZETCQYMHSA-N 1 0 237.325 -1.221 20 0 BAADRO C[NH2+]CC(=O)N[C@@H](COC)C(=O)OC ZINC000336724693 173331587 /nfs/dbraw/zinc/33/15/87/173331587.db2.gz GACRYUICSXXXDN-LURJTMIESA-N 1 0 204.226 -1.490 20 0 BAADRO C[NH2+]CC(=O)N[C@H](COC)C(=O)OC ZINC000336724702 173332740 /nfs/dbraw/zinc/33/27/40/173332740.db2.gz GACRYUICSXXXDN-ZCFIWIBFSA-N 1 0 204.226 -1.490 20 0 BAADRO CN(C)c1ncc(C[NH2+]C[C@@H](O)CO)cn1 ZINC000336725020 385823601 /nfs/dbraw/zinc/82/36/01/385823601.db2.gz BQBKATKKARYLEL-SECBINFHSA-N 1 0 226.280 -1.015 20 0 BAADRO CN(C)c1ncc(C[NH2+]C[C@H](O)CO)cn1 ZINC000336725022 385823930 /nfs/dbraw/zinc/82/39/30/385823930.db2.gz BQBKATKKARYLEL-VIFPVBQESA-N 1 0 226.280 -1.015 20 0 BAADRO OC[C@H]([NH2+][C@@H]1COC[C@@H]1O)[C@@H]1CCCO1 ZINC000336728024 183141511 /nfs/dbraw/zinc/14/15/11/183141511.db2.gz HUGANLQPGIKUBK-JXUBOQSCSA-N 1 0 217.265 -1.124 20 0 BAADRO OC[C@H]([NH2+][C@@H]1COC[C@@H]1O)[C@H]1CCCO1 ZINC000336728025 183141487 /nfs/dbraw/zinc/14/14/87/183141487.db2.gz HUGANLQPGIKUBK-QCLAVDOMSA-N 1 0 217.265 -1.124 20 0 BAADRO CC(C)NS(=O)(=O)CCNC(=O)[C@@H](C)[NH3+] ZINC000336728103 167122467 /nfs/dbraw/zinc/12/24/67/167122467.db2.gz CHDSACOJVMAOKJ-SSDOTTSWSA-N 1 0 237.325 -1.222 20 0 BAADRO CC(C)NS(=O)(=O)CCNC(=O)[C@H](C)[NH3+] ZINC000336728104 167124008 /nfs/dbraw/zinc/12/40/08/167124008.db2.gz CHDSACOJVMAOKJ-ZETCQYMHSA-N 1 0 237.325 -1.222 20 0 BAADRO C[C@H]([NH3+])CCNS(=O)(=O)c1cnnn1C ZINC000336728168 386063562 /nfs/dbraw/zinc/06/35/62/386063562.db2.gz CJZUOZPWIJUDQK-LURJTMIESA-N 1 0 233.297 -1.169 20 0 BAADRO C[C@@H]([NH3+])CCNS(=O)(=O)c1cnnn1C ZINC000336728184 386063827 /nfs/dbraw/zinc/06/38/27/386063827.db2.gz CJZUOZPWIJUDQK-ZCFIWIBFSA-N 1 0 233.297 -1.169 20 0 BAADRO C[NH2+]CCCNC(=O)[C@H]1COCCN1 ZINC000336730342 173348024 /nfs/dbraw/zinc/34/80/24/173348024.db2.gz JVRHITBGGRHLCI-MRVPVSSYSA-N 1 0 201.270 -1.300 20 0 BAADRO C[NH2+]CCCNC(=O)[C@@H]1COCCN1 ZINC000336730345 173348073 /nfs/dbraw/zinc/34/80/73/173348073.db2.gz JVRHITBGGRHLCI-QMMMGPOBSA-N 1 0 201.270 -1.300 20 0 BAADRO C[C@@H](O)C[N@H+](CCO)CCN1C(=O)CCC1=O ZINC000336730640 386281102 /nfs/dbraw/zinc/28/11/02/386281102.db2.gz YEYOVRDXYVOMIF-SECBINFHSA-N 1 0 244.291 -1.190 20 0 BAADRO C[C@H](O)C[N@H+](CCO)CCN1C(=O)CCC1=O ZINC000336730643 386280457 /nfs/dbraw/zinc/28/04/57/386280457.db2.gz YEYOVRDXYVOMIF-VIFPVBQESA-N 1 0 244.291 -1.190 20 0 BAADRO C[C@@H](CC[NH3+])NS(=O)(=O)c1cnnn1C ZINC000336730849 175673675 /nfs/dbraw/zinc/67/36/75/175673675.db2.gz DYOKJUYKTHPNDD-LURJTMIESA-N 1 0 233.297 -1.169 20 0 BAADRO C[C@H](CC[NH3+])NS(=O)(=O)c1cnnn1C ZINC000336730850 386290145 /nfs/dbraw/zinc/29/01/45/386290145.db2.gz DYOKJUYKTHPNDD-ZCFIWIBFSA-N 1 0 233.297 -1.169 20 0 BAADRO CN(CC(=O)NCC(C)(C)[NH3+])S(C)(=O)=O ZINC000336731325 386322774 /nfs/dbraw/zinc/32/27/74/386322774.db2.gz FEKDYEREXRXGPT-UHFFFAOYSA-N 1 0 237.325 -1.269 20 0 BAADRO C[NH2+]CCCN1CCO[C@@H](C(N)=O)C1 ZINC000336732140 173346927 /nfs/dbraw/zinc/34/69/27/173346927.db2.gz LGSIYBAWLSCCRH-MRVPVSSYSA-N 1 0 201.270 -1.218 20 0 BAADRO C[NH2+]CCCN1CCO[C@H](C(N)=O)C1 ZINC000336732141 173347510 /nfs/dbraw/zinc/34/75/10/173347510.db2.gz LGSIYBAWLSCCRH-QMMMGPOBSA-N 1 0 201.270 -1.218 20 0 BAADRO CCS(=O)(=O)NCCNC(=O)C(C)(C)[NH3+] ZINC000336733281 386513363 /nfs/dbraw/zinc/51/33/63/386513363.db2.gz GMTHBBOPBJLZIV-UHFFFAOYSA-N 1 0 237.325 -1.221 20 0 BAADRO COC(=O)[C@@H](C)CNC(=O)[C@H](C[NH3+])OC ZINC000336734687 385674312 /nfs/dbraw/zinc/67/43/12/385674312.db2.gz HKSZEYAPBWYCMC-BQBZGAKWSA-N 1 0 218.253 -1.115 20 0 BAADRO COC(=O)[C@@H](C)CNC(=O)[C@@H](C[NH3+])OC ZINC000336734691 385675469 /nfs/dbraw/zinc/67/54/69/385675469.db2.gz HKSZEYAPBWYCMC-NKWVEPMBSA-N 1 0 218.253 -1.115 20 0 BAADRO COC(=O)[C@H](C)CNC(=O)[C@@H](C[NH3+])OC ZINC000336734692 385674569 /nfs/dbraw/zinc/67/45/69/385674569.db2.gz HKSZEYAPBWYCMC-RNFRBKRXSA-N 1 0 218.253 -1.115 20 0 BAADRO COC(=O)[C@H](C)CNC(=O)[C@H](C[NH3+])OC ZINC000336734693 385675224 /nfs/dbraw/zinc/67/52/24/385675224.db2.gz HKSZEYAPBWYCMC-RQJHMYQMSA-N 1 0 218.253 -1.115 20 0 BAADRO CNS(=O)(=O)CCCN1CC[NH2+]CC1 ZINC000336740942 173401751 /nfs/dbraw/zinc/40/17/51/173401751.db2.gz VAVABQZVCTYMSO-UHFFFAOYSA-N 1 0 221.326 -1.169 20 0 BAADRO CNS(=O)(=O)CC(=O)N(C)CC[NH2+]C ZINC000336742173 173351077 /nfs/dbraw/zinc/35/10/77/173351077.db2.gz WPODBKPLVQWWJK-UHFFFAOYSA-N 1 0 223.298 -1.787 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC(C)(C)[NH3+] ZINC000336742251 385957184 /nfs/dbraw/zinc/95/71/84/385957184.db2.gz OBFACEDFNKWSNM-LURJTMIESA-N 1 0 237.325 -1.222 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC(C)(C)[NH3+] ZINC000336742252 385956964 /nfs/dbraw/zinc/95/69/64/385956964.db2.gz OBFACEDFNKWSNM-ZCFIWIBFSA-N 1 0 237.325 -1.222 20 0 BAADRO C[C@H](CC[NH3+])NC(=O)CN(C)S(C)(=O)=O ZINC000336743216 176627100 /nfs/dbraw/zinc/62/71/00/176627100.db2.gz OUEGWPWNTIEQFZ-SSDOTTSWSA-N 1 0 237.325 -1.269 20 0 BAADRO C[C@@H](CC[NH3+])NC(=O)CN(C)S(C)(=O)=O ZINC000336743217 385189008 /nfs/dbraw/zinc/18/90/08/385189008.db2.gz OUEGWPWNTIEQFZ-ZETCQYMHSA-N 1 0 237.325 -1.269 20 0 BAADRO CCS(=O)(=O)NCCNC(=O)[C@H](C)C[NH3+] ZINC000336746176 385916845 /nfs/dbraw/zinc/91/68/45/385916845.db2.gz RDBJWXLDZSQUKB-SSDOTTSWSA-N 1 0 237.325 -1.363 20 0 BAADRO CCS(=O)(=O)NCCNC(=O)[C@@H](C)C[NH3+] ZINC000336746177 385917840 /nfs/dbraw/zinc/91/78/40/385917840.db2.gz RDBJWXLDZSQUKB-ZETCQYMHSA-N 1 0 237.325 -1.363 20 0 BAADRO CCS(=O)(=O)N(C)CCCNC(=O)C[NH3+] ZINC000336747756 385979898 /nfs/dbraw/zinc/97/98/98/385979898.db2.gz SDOKQMYGHSLFCS-UHFFFAOYSA-N 1 0 237.325 -1.267 20 0 BAADRO CCS(=O)(=O)NCCN(CC[NH3+])CCO ZINC000336747851 170618048 /nfs/dbraw/zinc/61/80/48/170618048.db2.gz SHUORHXCJFWIND-UHFFFAOYSA-N 1 0 239.341 -1.821 20 0 BAADRO COCCN(C)S(=O)(=O)NC[C@H](C)C[NH3+] ZINC000336748991 174282031 /nfs/dbraw/zinc/28/20/31/174282031.db2.gz TUFLLQVPSBECSM-MRVPVSSYSA-N 1 0 239.341 -1.006 20 0 BAADRO COCCN(C)S(=O)(=O)NC[C@@H](C)C[NH3+] ZINC000336748992 174282736 /nfs/dbraw/zinc/28/27/36/174282736.db2.gz TUFLLQVPSBECSM-QMMMGPOBSA-N 1 0 239.341 -1.006 20 0 BAADRO C[C@@H](C[NH3+])CNS(=O)(=O)c1cnnn1C ZINC000336751396 386008495 /nfs/dbraw/zinc/00/84/95/386008495.db2.gz VFKMJARUOOJVQP-LURJTMIESA-N 1 0 233.297 -1.312 20 0 BAADRO C[C@H](C[NH3+])CNS(=O)(=O)c1cnnn1C ZINC000336751397 386008475 /nfs/dbraw/zinc/00/84/75/386008475.db2.gz VFKMJARUOOJVQP-ZCFIWIBFSA-N 1 0 233.297 -1.312 20 0 BAADRO CCS(=O)(=O)N(C)CC(=O)NCCC[NH3+] ZINC000336752113 170612910 /nfs/dbraw/zinc/61/29/10/170612910.db2.gz VLICSDZAEZAWQV-UHFFFAOYSA-N 1 0 237.325 -1.267 20 0 BAADRO CC[C@H]([NH3+])C(=O)NCCNS(=O)(=O)CC ZINC000336752624 386019407 /nfs/dbraw/zinc/01/94/07/386019407.db2.gz VWWMAFAIVKGXQG-ZETCQYMHSA-N 1 0 237.325 -1.221 20 0 BAADRO CCS(=O)(=O)NCCNC(=O)CCC[NH3+] ZINC000336753673 386071600 /nfs/dbraw/zinc/07/16/00/386071600.db2.gz WKJGTMYUCGZNBV-UHFFFAOYSA-N 1 0 237.325 -1.219 20 0 BAADRO CCS(=O)(=O)N(C)CC(=O)N[C@@H](C)C[NH3+] ZINC000336754773 384829272 /nfs/dbraw/zinc/82/92/72/384829272.db2.gz XFEYIFRCFYHDHB-ZETCQYMHSA-N 1 0 237.325 -1.269 20 0 BAADRO CCS(=O)(=O)NCCNC(=O)[C@H](C)[NH3+] ZINC000336758539 386638034 /nfs/dbraw/zinc/63/80/34/386638034.db2.gz KWCZVCNVOWDSPA-LURJTMIESA-N 1 0 223.298 -1.611 20 0 BAADRO CCS(=O)(=O)NCCNC(=O)[C@@H](C)[NH3+] ZINC000336758540 386639370 /nfs/dbraw/zinc/63/93/70/386639370.db2.gz KWCZVCNVOWDSPA-ZCFIWIBFSA-N 1 0 223.298 -1.611 20 0 BAADRO C[C@@H](C[NH3+])N(C)CCC(=O)NC(N)=O ZINC000336761550 386766122 /nfs/dbraw/zinc/76/61/22/386766122.db2.gz NKGNEHSVJDTLPQ-LURJTMIESA-N 1 0 202.258 -1.150 20 0 BAADRO C[C@H](C[NH3+])N(C)CCC(=O)NC(N)=O ZINC000336761551 386765001 /nfs/dbraw/zinc/76/50/01/386765001.db2.gz NKGNEHSVJDTLPQ-ZCFIWIBFSA-N 1 0 202.258 -1.150 20 0 BAADRO C[C@H](C[NH3+])CNC(=O)[C@H]1COCCN1 ZINC000336761556 386768179 /nfs/dbraw/zinc/76/81/79/386768179.db2.gz NKQZTDICVMUZKC-HTQZYQBOSA-N 1 0 201.270 -1.314 20 0 BAADRO C[C@@H](C[NH3+])CNC(=O)[C@H]1COCCN1 ZINC000336761557 386768089 /nfs/dbraw/zinc/76/80/89/386768089.db2.gz NKQZTDICVMUZKC-JGVFFNPUSA-N 1 0 201.270 -1.314 20 0 BAADRO C[C@H](C[NH3+])CNC(=O)[C@@H]1COCCN1 ZINC000336761558 386768598 /nfs/dbraw/zinc/76/85/98/386768598.db2.gz NKQZTDICVMUZKC-SFYZADRCSA-N 1 0 201.270 -1.314 20 0 BAADRO C[C@@H](C[NH3+])CNC(=O)[C@@H]1COCCN1 ZINC000336761559 386768473 /nfs/dbraw/zinc/76/84/73/386768473.db2.gz NKQZTDICVMUZKC-YUMQZZPRSA-N 1 0 201.270 -1.314 20 0 BAADRO CNc1nc(NCCF)nc(NCCF)[nH+]1 ZINC000336763618 173207996 /nfs/dbraw/zinc/20/79/96/173207996.db2.gz MLEWWTISFCIMEN-UHFFFAOYSA-N 1 0 232.238 -1.058 20 0 BAADRO COCCN(C)S(=O)(=O)N[C@H](C)C[NH3+] ZINC000336763987 174283007 /nfs/dbraw/zinc/28/30/07/174283007.db2.gz PRIIXZUMDHIFCQ-SSDOTTSWSA-N 1 0 225.314 -1.254 20 0 BAADRO [NH3+]CCCNC(=O)CN1CSCC1=O ZINC000336764821 181381519 /nfs/dbraw/zinc/38/15/19/181381519.db2.gz QNQSOLYFDCHMQU-UHFFFAOYSA-N 1 0 217.294 -1.016 20 0 BAADRO CNC(=O)NC(=O)CN(C)[C@@H](C)C[NH3+] ZINC000336769826 173286695 /nfs/dbraw/zinc/28/66/95/173286695.db2.gz VYNRWPXVBYUVGU-LURJTMIESA-N 1 0 202.258 -1.279 20 0 BAADRO CNC(=O)NC(=O)CN(C)[C@H](C)C[NH3+] ZINC000336769827 173286299 /nfs/dbraw/zinc/28/62/99/173286299.db2.gz VYNRWPXVBYUVGU-ZCFIWIBFSA-N 1 0 202.258 -1.279 20 0 BAADRO CC(C)NC(=O)CN(CC[NH3+])CCO ZINC000336772727 167050252 /nfs/dbraw/zinc/05/02/52/167050252.db2.gz YHTJOAUBPFQNPS-UHFFFAOYSA-N 1 0 203.286 -1.236 20 0 BAADRO CNC(=O)C(=O)NCCNc1cc[nH+]cc1 ZINC000336775630 173214396 /nfs/dbraw/zinc/21/43/96/173214396.db2.gz ZPGGNPYVYMATRN-UHFFFAOYSA-N 1 0 222.248 -1.222 20 0 BAADRO CC[N@H+](CCO)CCNC(=O)c1cnnn1C ZINC000337018140 386577217 /nfs/dbraw/zinc/57/72/17/386577217.db2.gz SZHPLIATXDAOES-UHFFFAOYSA-N 1 0 241.295 -1.141 20 0 BAADRO CN(CC(=O)NCC[NH+]1CCC1)S(C)(=O)=O ZINC000337287158 386701875 /nfs/dbraw/zinc/70/18/75/386701875.db2.gz HCYUZYVJZLWDQS-UHFFFAOYSA-N 1 0 249.336 -1.300 20 0 BAADRO CC[NH+](CC)CC(=O)N[C@@H]1CN(C)NC1=O ZINC000337447357 385663532 /nfs/dbraw/zinc/66/35/32/385663532.db2.gz GHGDSOVPLSJPOY-MRVPVSSYSA-N 1 0 228.296 -1.210 20 0 BAADRO CC[NH+](CC)CC(=O)N[C@H]1CN(C)NC1=O ZINC000337447360 385662714 /nfs/dbraw/zinc/66/27/14/385662714.db2.gz GHGDSOVPLSJPOY-QMMMGPOBSA-N 1 0 228.296 -1.210 20 0 BAADRO CN(C)C(=O)CC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000337447444 385667082 /nfs/dbraw/zinc/66/70/82/385667082.db2.gz JBZCCVYXYNKDEU-LLVKDONJSA-N 1 0 245.323 -1.107 20 0 BAADRO CN(C)C(=O)CC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000337447452 385667224 /nfs/dbraw/zinc/66/72/24/385667224.db2.gz JBZCCVYXYNKDEU-NSHDSACASA-N 1 0 245.323 -1.107 20 0 BAADRO C[N@H+](CCCC(=O)NC(N)=O)CCOCCO ZINC000337467044 385675301 /nfs/dbraw/zinc/67/53/01/385675301.db2.gz UKYPMPFJSOLTNF-UHFFFAOYSA-N 1 0 247.295 -1.098 20 0 BAADRO CC[NH+](CC)CC(=O)NCCOCC(N)=O ZINC000337515682 385699165 /nfs/dbraw/zinc/69/91/65/385699165.db2.gz IIVUGHZLQBGELY-UHFFFAOYSA-N 1 0 231.296 -1.054 20 0 BAADRO CC[NH+](CC)CC(=O)NCC(=O)NCCO ZINC000337532161 385697366 /nfs/dbraw/zinc/69/73/66/385697366.db2.gz SVFZSYDBCXQJTA-UHFFFAOYSA-N 1 0 231.296 -1.447 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH+]1CCC1 ZINC000337610580 385728705 /nfs/dbraw/zinc/72/87/05/385728705.db2.gz YBZONISNTWWJQA-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH+]1CCC1 ZINC000337610582 385728189 /nfs/dbraw/zinc/72/81/89/385728189.db2.gz YBZONISNTWWJQA-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO COCCCNC(=O)C[N@H+](C)CCC(N)=O ZINC000337667195 174239248 /nfs/dbraw/zinc/23/92/48/174239248.db2.gz QUEHADWHELRUGX-UHFFFAOYSA-N 1 0 231.296 -1.054 20 0 BAADRO CCS(=O)(=O)NCCC[N@H+](C)CC(N)=O ZINC000337961799 385856611 /nfs/dbraw/zinc/85/66/11/385856611.db2.gz ZSOYIWBBNKMTBQ-UHFFFAOYSA-N 1 0 237.325 -1.267 20 0 BAADRO CC[C@H](C(=O)NCCS(N)(=O)=O)[NH+](C)C ZINC000338197953 171228635 /nfs/dbraw/zinc/22/86/35/171228635.db2.gz BXJMPLALPNFURH-SSDOTTSWSA-N 1 0 237.325 -1.269 20 0 BAADRO CC[C@@H](C(=O)NCCS(N)(=O)=O)[NH+](C)C ZINC000338197954 385915354 /nfs/dbraw/zinc/91/53/54/385915354.db2.gz BXJMPLALPNFURH-ZETCQYMHSA-N 1 0 237.325 -1.269 20 0 BAADRO CN1CCN(C(=O)CC[N@H+](C)CC(N)=O)CC1 ZINC000338232695 173067085 /nfs/dbraw/zinc/06/70/85/173067085.db2.gz SXZZUNFUIGHNLZ-UHFFFAOYSA-N 1 0 242.323 -1.432 20 0 BAADRO NC(=O)NC(=O)CC[N@@H+]1CC[C@](F)(CO)C1 ZINC000338587802 181253534 /nfs/dbraw/zinc/25/35/34/181253534.db2.gz OZJZIKJCTLKTNB-SECBINFHSA-N 1 0 233.243 -1.022 20 0 BAADRO NC(=O)NC(=O)CC[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338587803 181252940 /nfs/dbraw/zinc/25/29/40/181252940.db2.gz OZJZIKJCTLKTNB-VIFPVBQESA-N 1 0 233.243 -1.022 20 0 BAADRO CC1(O)CN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000338605068 168068954 /nfs/dbraw/zinc/06/89/54/168068954.db2.gz DIZVQMSIUMXYKO-JTQLQIEISA-N 1 0 239.319 -1.031 20 0 BAADRO CC1(O)CN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000338605069 168068597 /nfs/dbraw/zinc/06/85/97/168068597.db2.gz DIZVQMSIUMXYKO-SNVBAGLBSA-N 1 0 239.319 -1.031 20 0 BAADRO CNC(=O)NC(=O)CN1CC[C@](F)(CO)C1 ZINC000338629202 173287217 /nfs/dbraw/zinc/28/72/17/173287217.db2.gz XYOHAAJCFWEGBT-SECBINFHSA-N 1 0 233.243 -1.152 20 0 BAADRO CNC(=O)NC(=O)CN1CC[C@@](F)(CO)C1 ZINC000338629203 173287036 /nfs/dbraw/zinc/28/70/36/173287036.db2.gz XYOHAAJCFWEGBT-VIFPVBQESA-N 1 0 233.243 -1.152 20 0 BAADRO CC[C@H](C(=O)NCCOCC(N)=O)[NH+](C)C ZINC000338960213 171228973 /nfs/dbraw/zinc/22/89/73/171228973.db2.gz KMNCSJRYNWQXQQ-MRVPVSSYSA-N 1 0 231.296 -1.055 20 0 BAADRO CC[C@@H](C(=O)NCCOCC(N)=O)[NH+](C)C ZINC000338960219 386190264 /nfs/dbraw/zinc/19/02/64/386190264.db2.gz KMNCSJRYNWQXQQ-QMMMGPOBSA-N 1 0 231.296 -1.055 20 0 BAADRO COCC[N@H+](C)CCNC(=O)CNC(C)=O ZINC000339249295 174276561 /nfs/dbraw/zinc/27/65/61/174276561.db2.gz YCQNJABLFXSBFK-UHFFFAOYSA-N 1 0 231.296 -1.183 20 0 BAADRO COCC[N@H+](C)CCNC(=O)Cn1cnnn1 ZINC000339308031 174277185 /nfs/dbraw/zinc/27/71/85/174277185.db2.gz PNOCQDFGLGRRKI-UHFFFAOYSA-N 1 0 242.283 -1.633 20 0 BAADRO CCNC(=O)[C@H]([NH2+]CC(=O)NC(N)=O)C(C)C ZINC000339326906 170098407 /nfs/dbraw/zinc/09/84/07/170098407.db2.gz UZNCGNMAYHPTCT-MRVPVSSYSA-N 1 0 244.295 -1.068 20 0 BAADRO CC[N@H+](CC(=O)N1CCNC(=O)C1)[C@H](C)CO ZINC000339630954 386499071 /nfs/dbraw/zinc/49/90/71/386499071.db2.gz ZEUNSTRMNQWKIW-SECBINFHSA-N 1 0 243.307 -1.353 20 0 BAADRO CC[N@H+](CC(=O)N1CCNC(=O)C1)[C@@H](C)CO ZINC000339630955 386500710 /nfs/dbraw/zinc/50/07/10/386500710.db2.gz ZEUNSTRMNQWKIW-VIFPVBQESA-N 1 0 243.307 -1.353 20 0 BAADRO CNC(=O)C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000340036572 173212691 /nfs/dbraw/zinc/21/26/91/173212691.db2.gz OCLSDVKDMIGJQE-UHFFFAOYSA-N 1 0 211.265 -1.104 20 0 BAADRO C[NH+](C)CC(=O)NCCNS(C)(=O)=O ZINC000340118490 385712575 /nfs/dbraw/zinc/71/25/75/385712575.db2.gz CZKMXMCRJQVZOQ-UHFFFAOYSA-N 1 0 223.298 -1.787 20 0 BAADRO C[C@@H]([NH3+])C(=O)NCCN1C(=O)CCCC1=O ZINC000340176931 388488722 /nfs/dbraw/zinc/48/87/22/388488722.db2.gz IWNMGHXSQFRBRR-SSDOTTSWSA-N 1 0 227.264 -1.011 20 0 BAADRO C[C@H]([NH3+])C(=O)NCCN1C(=O)CCCC1=O ZINC000340176932 388488374 /nfs/dbraw/zinc/48/83/74/388488374.db2.gz IWNMGHXSQFRBRR-ZETCQYMHSA-N 1 0 227.264 -1.011 20 0 BAADRO COC(=O)C[C@H](NC(=O)C[C@H](C)[NH3+])C(=O)OC ZINC000340187138 173636183 /nfs/dbraw/zinc/63/61/83/173636183.db2.gz YOCBZIAXWUQSKM-BQBZGAKWSA-N 1 0 246.263 -1.055 20 0 BAADRO COC(=O)C[C@@H](NC(=O)C[C@H](C)[NH3+])C(=O)OC ZINC000340187139 385838243 /nfs/dbraw/zinc/83/82/43/385838243.db2.gz YOCBZIAXWUQSKM-NKWVEPMBSA-N 1 0 246.263 -1.055 20 0 BAADRO COC(=O)C[C@@H](NC(=O)C[C@@H](C)[NH3+])C(=O)OC ZINC000340187140 385839620 /nfs/dbraw/zinc/83/96/20/385839620.db2.gz YOCBZIAXWUQSKM-RNFRBKRXSA-N 1 0 246.263 -1.055 20 0 BAADRO COC(=O)C[C@H](NC(=O)C[C@@H](C)[NH3+])C(=O)OC ZINC000340187141 173636201 /nfs/dbraw/zinc/63/62/01/173636201.db2.gz YOCBZIAXWUQSKM-RQJHMYQMSA-N 1 0 246.263 -1.055 20 0 BAADRO C[C@H](C(=O)NC(N)=O)[N@H+](C)CC(C)(CO)CO ZINC000340196757 385899942 /nfs/dbraw/zinc/89/99/42/385899942.db2.gz IEUGQQXYFLUXGP-SSDOTTSWSA-N 1 0 247.295 -1.508 20 0 BAADRO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CC(C)(CO)CO ZINC000340196758 385898748 /nfs/dbraw/zinc/89/87/48/385898748.db2.gz IEUGQQXYFLUXGP-ZETCQYMHSA-N 1 0 247.295 -1.508 20 0 BAADRO C[N@H+](CCC(=O)NC(N)=O)CC(C)(CO)CO ZINC000340197178 385896696 /nfs/dbraw/zinc/89/66/96/385896696.db2.gz RPVLJNPBALWRJK-UHFFFAOYSA-N 1 0 247.295 -1.506 20 0 BAADRO CNS(=O)(=O)CCCN(C)[C@@H]1CCNC1=O ZINC000340217362 385978636 /nfs/dbraw/zinc/97/86/36/385978636.db2.gz BIETURBOTBZBCD-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO CNS(=O)(=O)CCCN(C)[C@H]1CCNC1=O ZINC000340217363 385978367 /nfs/dbraw/zinc/97/83/67/385978367.db2.gz BIETURBOTBZBCD-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO CNC(=O)NC(=O)CC[N@H+](C)[C@@H]1CCNC1=O ZINC000340221299 173286724 /nfs/dbraw/zinc/28/67/24/173286724.db2.gz ILRKVFAJRXYCIV-SSDOTTSWSA-N 1 0 242.279 -1.348 20 0 BAADRO CNC(=O)NC(=O)CC[N@H+](C)[C@H]1CCNC1=O ZINC000340221300 173286451 /nfs/dbraw/zinc/28/64/51/173286451.db2.gz ILRKVFAJRXYCIV-ZETCQYMHSA-N 1 0 242.279 -1.348 20 0 BAADRO CCOCCNC(=O)CN(C)[C@@H]1CCNC1=O ZINC000340225072 386022660 /nfs/dbraw/zinc/02/26/60/386022660.db2.gz FOZANXCUCQPBFJ-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO CCOCCNC(=O)CN(C)[C@H]1CCNC1=O ZINC000340225073 386023398 /nfs/dbraw/zinc/02/33/98/386023398.db2.gz FOZANXCUCQPBFJ-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO CN(CC(=O)N1CCOCC1)[C@H]1COC[C@@H]1O ZINC000340281787 386200162 /nfs/dbraw/zinc/20/01/62/386200162.db2.gz CQZDGILFKMRMRU-UWVGGRQHSA-N 1 0 244.291 -1.463 20 0 BAADRO CN(CC(=O)N1CCOCC1)[C@H]1COC[C@H]1O ZINC000340281788 386201182 /nfs/dbraw/zinc/20/11/82/386201182.db2.gz CQZDGILFKMRMRU-VHSXEESVSA-N 1 0 244.291 -1.463 20 0 BAADRO CN(CC(=O)N1CCOCC1)[C@@H]1COC[C@@H]1O ZINC000340281789 386201556 /nfs/dbraw/zinc/20/15/56/386201556.db2.gz CQZDGILFKMRMRU-ZJUUUORDSA-N 1 0 244.291 -1.463 20 0 BAADRO CNC(=O)CC[N@H+](C)[C@@H]1COC[C@H]1O ZINC000340284959 173248529 /nfs/dbraw/zinc/24/85/29/173248529.db2.gz LQYAHHQWIJBXJS-HTQZYQBOSA-N 1 0 202.254 -1.186 20 0 BAADRO CNC(=O)CC[N@H+](C)[C@H]1COC[C@H]1O ZINC000340284964 173249155 /nfs/dbraw/zinc/24/91/55/173249155.db2.gz LQYAHHQWIJBXJS-JGVFFNPUSA-N 1 0 202.254 -1.186 20 0 BAADRO CNC(=O)CC[N@H+](C)[C@@H]1COC[C@@H]1O ZINC000340284966 173249626 /nfs/dbraw/zinc/24/96/26/173249626.db2.gz LQYAHHQWIJBXJS-SFYZADRCSA-N 1 0 202.254 -1.186 20 0 BAADRO CNC(=O)CC[N@H+](C)[C@H]1COC[C@@H]1O ZINC000340284967 173249592 /nfs/dbraw/zinc/24/95/92/173249592.db2.gz LQYAHHQWIJBXJS-YUMQZZPRSA-N 1 0 202.254 -1.186 20 0 BAADRO C[N@H+](CC(C)(CO)CO)[C@@H]1COC[C@@H]1O ZINC000340289797 386220130 /nfs/dbraw/zinc/22/01/30/386220130.db2.gz QVTQZWFHRBAUNH-BDAKNGLRSA-N 1 0 219.281 -1.331 20 0 BAADRO C[N@H+](CC(C)(CO)CO)[C@H]1COC[C@H]1O ZINC000340289800 386220041 /nfs/dbraw/zinc/22/00/41/386220041.db2.gz QVTQZWFHRBAUNH-DTWKUNHWSA-N 1 0 219.281 -1.331 20 0 BAADRO C[N@H+](CC(C)(CO)CO)[C@H]1COC[C@@H]1O ZINC000340289801 386220015 /nfs/dbraw/zinc/22/00/15/386220015.db2.gz QVTQZWFHRBAUNH-IUCAKERBSA-N 1 0 219.281 -1.331 20 0 BAADRO C[N@H+](CC(C)(CO)CO)[C@@H]1COC[C@H]1O ZINC000340289802 386220979 /nfs/dbraw/zinc/22/09/79/386220979.db2.gz QVTQZWFHRBAUNH-RKDXNWHRSA-N 1 0 219.281 -1.331 20 0 BAADRO CCS(=O)(=O)NCC(=O)NCC[NH+]1CCC1 ZINC000340300196 386246900 /nfs/dbraw/zinc/24/69/00/386246900.db2.gz CNUIDSZIRJUIOA-UHFFFAOYSA-N 1 0 249.336 -1.252 20 0 BAADRO COCC(=O)N(C)CC(=O)NCC[NH+]1CCC1 ZINC000340304803 174037718 /nfs/dbraw/zinc/03/77/18/174037718.db2.gz XGGKCLNNJINGDZ-UHFFFAOYSA-N 1 0 243.307 -1.087 20 0 BAADRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1cnnn1C ZINC000340563559 173363723 /nfs/dbraw/zinc/36/37/23/173363723.db2.gz WQTDOWSBAPNWBD-SSDOTTSWSA-N 1 0 247.324 -1.051 20 0 BAADRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1cnnn1C ZINC000340563560 173375295 /nfs/dbraw/zinc/37/52/95/173375295.db2.gz WQTDOWSBAPNWBD-ZETCQYMHSA-N 1 0 247.324 -1.051 20 0 BAADRO CC[N@H+](C)CCNC(=O)CNC(=O)NC ZINC000340564342 386238251 /nfs/dbraw/zinc/23/82/51/386238251.db2.gz WXLGATIZLJDSOK-UHFFFAOYSA-N 1 0 216.285 -1.017 20 0 BAADRO CNC(=O)NCC(=O)NCC[N@H+](C)CCOC ZINC000340581271 173289842 /nfs/dbraw/zinc/28/98/42/173289842.db2.gz XCHNBLDSDKBCMS-UHFFFAOYSA-N 1 0 246.311 -1.390 20 0 BAADRO CNC(=O)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000340613812 173215167 /nfs/dbraw/zinc/21/51/67/173215167.db2.gz FKQIBMVMYLJBJJ-SECBINFHSA-N 1 0 243.307 -1.305 20 0 BAADRO CNC(=O)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000340613813 173216430 /nfs/dbraw/zinc/21/64/30/173216430.db2.gz FKQIBMVMYLJBJJ-VIFPVBQESA-N 1 0 243.307 -1.305 20 0 BAADRO CNC(=O)C(=O)NCCC[N@H+](C)CCOC ZINC000340613935 173215066 /nfs/dbraw/zinc/21/50/66/173215066.db2.gz IKFYLAPBAWLPHR-UHFFFAOYSA-N 1 0 231.296 -1.183 20 0 BAADRO CNC(=O)C(=O)N(CCOC)CC[NH+](C)C ZINC000340620376 173212575 /nfs/dbraw/zinc/21/25/75/173212575.db2.gz LELKUJCBZZHKBE-UHFFFAOYSA-N 1 0 231.296 -1.231 20 0 BAADRO CC[N@H+](CCO)CCNC(=O)C(=O)NC ZINC000340621457 386423897 /nfs/dbraw/zinc/42/38/97/386423897.db2.gz AFQDRAOFRFQLNC-UHFFFAOYSA-N 1 0 217.269 -1.837 20 0 BAADRO CNC(=O)C(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000340622207 173215791 /nfs/dbraw/zinc/21/57/91/173215791.db2.gz BIXQLEHQRWBWSQ-VIFPVBQESA-N 1 0 241.291 -1.288 20 0 BAADRO CNC(=O)C(=O)NCC[N@H+](C)CCOC ZINC000340623051 173214665 /nfs/dbraw/zinc/21/46/65/173214665.db2.gz RGNOVGBPNZPYLY-UHFFFAOYSA-N 1 0 217.269 -1.573 20 0 BAADRO CNC(=O)C(=O)NCCOCC[NH+](C)C ZINC000340625300 173215256 /nfs/dbraw/zinc/21/52/56/173215256.db2.gz KXLZPCONQGLIII-UHFFFAOYSA-N 1 0 217.269 -1.573 20 0 BAADRO CNC(=O)C(=O)NCC[N@H+](C)CCCOC ZINC000340629747 173215315 /nfs/dbraw/zinc/21/53/15/173215315.db2.gz OXEQOCINSOXYOJ-UHFFFAOYSA-N 1 0 231.296 -1.183 20 0 BAADRO CC[NH+](CC)CCNC(=O)NC(CO)CO ZINC000340870345 386792397 /nfs/dbraw/zinc/79/23/97/386792397.db2.gz KHRUXOYYAIHORH-UHFFFAOYSA-N 1 0 233.312 -1.019 20 0 BAADRO CNC(=O)NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000340932286 173286864 /nfs/dbraw/zinc/28/68/64/173286864.db2.gz UZDWXJXRYRUWDG-NKWVEPMBSA-N 1 0 215.253 -1.103 20 0 BAADRO CNC(=O)NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1C ZINC000340932288 173286896 /nfs/dbraw/zinc/28/68/96/173286896.db2.gz UZDWXJXRYRUWDG-RNFRBKRXSA-N 1 0 215.253 -1.103 20 0 BAADRO CC(C)C(=O)N[C@H](CO)C(=O)NCC[NH+](C)C ZINC000340945492 386805574 /nfs/dbraw/zinc/80/55/74/386805574.db2.gz DAWKNJXYZZUGDF-SECBINFHSA-N 1 0 245.323 -1.203 20 0 BAADRO CC(C)C(=O)N[C@@H](CO)C(=O)NCC[NH+](C)C ZINC000340945501 386805738 /nfs/dbraw/zinc/80/57/38/386805738.db2.gz DAWKNJXYZZUGDF-VIFPVBQESA-N 1 0 245.323 -1.203 20 0 BAADRO CNC(=O)NCCC(=O)NCC[NH+](C)C ZINC000340950136 173290560 /nfs/dbraw/zinc/29/05/60/173290560.db2.gz MPONRAPUUBJCLJ-UHFFFAOYSA-N 1 0 216.285 -1.017 20 0 BAADRO C[N@@H+]1CCC[C@@H]1CNC(=O)NC(CO)CO ZINC000341012698 173030709 /nfs/dbraw/zinc/03/07/09/173030709.db2.gz JTIGKANSIPIVQF-SECBINFHSA-N 1 0 231.296 -1.267 20 0 BAADRO C[N@@H+]1CCC[C@H]1CNC(=O)NC(CO)CO ZINC000341012703 173054755 /nfs/dbraw/zinc/05/47/55/173054755.db2.gz JTIGKANSIPIVQF-VIFPVBQESA-N 1 0 231.296 -1.267 20 0 BAADRO CC[C@@H]1C[N@H+](CC(=O)NCC(=O)OC)C[C@@H]1O ZINC000341023436 171076640 /nfs/dbraw/zinc/07/66/40/171076640.db2.gz JGXDRBGFCGJQQX-BDAKNGLRSA-N 1 0 244.291 -1.022 20 0 BAADRO CC[C@H]1C[N@H+](CC(=O)NCC(=O)OC)C[C@H]1O ZINC000341023441 398182454 /nfs/dbraw/zinc/18/24/54/398182454.db2.gz JGXDRBGFCGJQQX-DTWKUNHWSA-N 1 0 244.291 -1.022 20 0 BAADRO CC[C@H]1C[N@H+](CC(=O)NCC(=O)OC)C[C@@H]1O ZINC000341023445 398182475 /nfs/dbraw/zinc/18/24/75/398182475.db2.gz JGXDRBGFCGJQQX-IUCAKERBSA-N 1 0 244.291 -1.022 20 0 BAADRO CC[C@@H]1C[N@H+](CC(=O)NCC(=O)OC)C[C@H]1O ZINC000341023448 171077415 /nfs/dbraw/zinc/07/74/15/171077415.db2.gz JGXDRBGFCGJQQX-RKDXNWHRSA-N 1 0 244.291 -1.022 20 0 BAADRO CNC(=O)NCC(=O)NC[C@@H](C)[NH+](C)C ZINC000341035147 173289922 /nfs/dbraw/zinc/28/99/22/173289922.db2.gz ZSHHSUAKCSIRDA-SSDOTTSWSA-N 1 0 216.285 -1.018 20 0 BAADRO CNC(=O)NCC(=O)NC[C@H](C)[NH+](C)C ZINC000341035148 173289781 /nfs/dbraw/zinc/28/97/81/173289781.db2.gz ZSHHSUAKCSIRDA-ZETCQYMHSA-N 1 0 216.285 -1.018 20 0 BAADRO CC[C@H]1C[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC000341049697 388495674 /nfs/dbraw/zinc/49/56/74/388495674.db2.gz PUPHXTRILURNIL-BQBZGAKWSA-N 1 0 215.253 -1.116 20 0 BAADRO CC[C@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC000341049698 388495768 /nfs/dbraw/zinc/49/57/68/388495768.db2.gz PUPHXTRILURNIL-NKWVEPMBSA-N 1 0 215.253 -1.116 20 0 BAADRO CC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC000341049699 171076076 /nfs/dbraw/zinc/07/60/76/171076076.db2.gz PUPHXTRILURNIL-RNFRBKRXSA-N 1 0 215.253 -1.116 20 0 BAADRO CC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC000341049700 171076600 /nfs/dbraw/zinc/07/66/00/171076600.db2.gz PUPHXTRILURNIL-RQJHMYQMSA-N 1 0 215.253 -1.116 20 0 BAADRO COCC[N@H+](C)CCNC(=O)NC(CO)CO ZINC000341081700 174277325 /nfs/dbraw/zinc/27/73/25/174277325.db2.gz GQEYVRWPOAIRSQ-UHFFFAOYSA-N 1 0 249.311 -1.783 20 0 BAADRO C[N@H+](CCNC(=O)NC(CO)CO)C1CC1 ZINC000341130115 386854906 /nfs/dbraw/zinc/85/49/06/386854906.db2.gz PFKUFPKACFHIMN-UHFFFAOYSA-N 1 0 231.296 -1.267 20 0 BAADRO CNC(=O)CC[N@H+](C)CC(=O)NCC(=O)OC ZINC000341164630 173247785 /nfs/dbraw/zinc/24/77/85/173247785.db2.gz DSGBEDYXHJJGEW-UHFFFAOYSA-N 1 0 245.279 -1.657 20 0 BAADRO O=C(NC(CO)CO)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000341190063 182088534 /nfs/dbraw/zinc/08/85/34/182088534.db2.gz XGAOXALPVVBKHT-MRVPVSSYSA-N 1 0 243.307 -1.125 20 0 BAADRO O=C(NC(CO)CO)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000341190083 182088633 /nfs/dbraw/zinc/08/86/33/182088633.db2.gz XGAOXALPVVBKHT-QMMMGPOBSA-N 1 0 243.307 -1.125 20 0 BAADRO C[C@H](CNC(=O)CNC(N)=O)C[NH+](C)C ZINC000341229236 386857482 /nfs/dbraw/zinc/85/74/82/386857482.db2.gz MRXAGUGFWBQSOM-SSDOTTSWSA-N 1 0 216.285 -1.031 20 0 BAADRO C[C@@H](CNC(=O)CNC(N)=O)C[NH+](C)C ZINC000341229237 386857558 /nfs/dbraw/zinc/85/75/58/386857558.db2.gz MRXAGUGFWBQSOM-ZETCQYMHSA-N 1 0 216.285 -1.031 20 0 BAADRO COCC[N@@H+]1CC[C@@H](NS(N)(=O)=O)C1 ZINC000341231631 174313497 /nfs/dbraw/zinc/31/34/97/174313497.db2.gz VIFMCKFFAWVXLG-SSDOTTSWSA-N 1 0 223.298 -1.500 20 0 BAADRO COCC[N@@H+]1CC[C@H](NS(N)(=O)=O)C1 ZINC000341231633 174314346 /nfs/dbraw/zinc/31/43/46/174314346.db2.gz VIFMCKFFAWVXLG-ZETCQYMHSA-N 1 0 223.298 -1.500 20 0 BAADRO COCC[N@@H+]1CC[C@H](NC(=O)CNC(C)=O)C1 ZINC000341255699 174314090 /nfs/dbraw/zinc/31/40/90/174314090.db2.gz HRWFPXATBUCMPB-JTQLQIEISA-N 1 0 243.307 -1.041 20 0 BAADRO COCC[N@@H+]1CC[C@@H](NC(=O)CNC(C)=O)C1 ZINC000341255704 174311171 /nfs/dbraw/zinc/31/11/71/174311171.db2.gz HRWFPXATBUCMPB-SNVBAGLBSA-N 1 0 243.307 -1.041 20 0 BAADRO C[C@H](CNC(=O)Cn1cnnn1)C[NH+](C)C ZINC000341288088 386878688 /nfs/dbraw/zinc/87/86/88/386878688.db2.gz ZNYVBXWMVSPZNN-MRVPVSSYSA-N 1 0 226.284 -1.013 20 0 BAADRO C[C@@H](CNC(=O)Cn1cnnn1)C[NH+](C)C ZINC000341288100 386879734 /nfs/dbraw/zinc/87/97/34/386879734.db2.gz ZNYVBXWMVSPZNN-QMMMGPOBSA-N 1 0 226.284 -1.013 20 0 BAADRO CC(C)NS(=O)(=O)CCNC(N)=[NH2+] ZINC000341521880 167124542 /nfs/dbraw/zinc/12/45/42/167124542.db2.gz HVZZUAYAUWLZKZ-UHFFFAOYSA-N 1 0 208.287 -1.203 20 0 BAADRO NS(=O)(=O)NCCCCN1CCOCC1 ZINC000341562656 386919193 /nfs/dbraw/zinc/91/91/93/386919193.db2.gz GHNFOXKRZSKUTK-UHFFFAOYSA-N 1 0 237.325 -1.108 20 0 BAADRO C[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C(N)=O ZINC000341905336 386988424 /nfs/dbraw/zinc/98/84/24/386988424.db2.gz WMIUXBZCJAHBBU-DTWKUNHWSA-N 1 0 243.307 -1.055 20 0 BAADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H](C)C(N)=O ZINC000341905338 386987191 /nfs/dbraw/zinc/98/71/91/386987191.db2.gz WMIUXBZCJAHBBU-RKDXNWHRSA-N 1 0 243.307 -1.055 20 0 BAADRO CNC(=O)NCC(=O)NCC[NH+]1CCC1 ZINC000341914896 173289965 /nfs/dbraw/zinc/28/99/65/173289965.db2.gz MYDWSDDOPLHPDR-UHFFFAOYSA-N 1 0 214.269 -1.263 20 0 BAADRO C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CC(N)=O ZINC000341922778 386992623 /nfs/dbraw/zinc/99/26/23/386992623.db2.gz JJBWOBPBZUSGQZ-SECBINFHSA-N 1 0 243.307 -1.102 20 0 BAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CC(N)=O ZINC000341922779 386993176 /nfs/dbraw/zinc/99/31/76/386993176.db2.gz JJBWOBPBZUSGQZ-VIFPVBQESA-N 1 0 243.307 -1.102 20 0 BAADRO [NH3+]C1(CNCC(=O)N2CCNC(=O)C2)CCC1 ZINC000342128386 181330563 /nfs/dbraw/zinc/33/05/63/181330563.db2.gz KXDQUOMLIVNYFL-UHFFFAOYSA-N 1 0 240.307 -1.584 20 0 BAADRO C[NH+](C)C1CN(C(=O)[C@@H](CO)NC(N)=O)C1 ZINC000342130653 411505188 /nfs/dbraw/zinc/50/51/88/411505188.db2.gz GBQKFEXLAVAXFI-SSDOTTSWSA-N 1 0 230.268 -2.212 20 0 BAADRO C[NH+](C)C1CN(C(=O)[C@H](CO)NC(N)=O)C1 ZINC000342130655 411505060 /nfs/dbraw/zinc/50/50/60/411505060.db2.gz GBQKFEXLAVAXFI-ZETCQYMHSA-N 1 0 230.268 -2.212 20 0 BAADRO C[NH+](C)C1CN(C(=O)c2nccnc2C(N)=O)C1 ZINC000342137382 385935478 /nfs/dbraw/zinc/93/54/78/385935478.db2.gz WTCMNLSONDCZQH-UHFFFAOYSA-N 1 0 249.274 -1.039 20 0 BAADRO C[C@@H]1CN(C(=O)C2C[NH2+]C2)C[C@H](C(N)=O)O1 ZINC000342229948 135253972 /nfs/dbraw/zinc/25/39/72/135253972.db2.gz LWPRSZZXWOWQOX-HTRCEHHLSA-N 1 0 227.264 -1.693 20 0 BAADRO C[C@@H]1CN(C(=O)C2C[NH2+]C2)C[C@@H](C(N)=O)O1 ZINC000342229961 135253531 /nfs/dbraw/zinc/25/35/31/135253531.db2.gz LWPRSZZXWOWQOX-SVRRBLITSA-N 1 0 227.264 -1.693 20 0 BAADRO CC(=O)NC[C@H]1CN(C(=O)C2C[NH2+]C2)CCO1 ZINC000342242645 385952826 /nfs/dbraw/zinc/95/28/26/385952826.db2.gz ZENJDTMPOHXOIN-JTQLQIEISA-N 1 0 241.291 -1.431 20 0 BAADRO CC(=O)NC[C@@H]1CN(C(=O)C2C[NH2+]C2)CCO1 ZINC000342242663 385953542 /nfs/dbraw/zinc/95/35/42/385953542.db2.gz ZENJDTMPOHXOIN-SNVBAGLBSA-N 1 0 241.291 -1.431 20 0 BAADRO CNC(=O)N[C@@H]1CC[N@H+](CCOCCO)C1 ZINC000342375665 135268677 /nfs/dbraw/zinc/26/86/77/135268677.db2.gz OOKDIDFRXRVERS-SECBINFHSA-N 1 0 231.296 -1.001 20 0 BAADRO CNC(=O)N[C@H]1CC[N@H+](CCOCCO)C1 ZINC000342375668 135268330 /nfs/dbraw/zinc/26/83/30/135268330.db2.gz OOKDIDFRXRVERS-VIFPVBQESA-N 1 0 231.296 -1.001 20 0 BAADRO [NH3+]CCN(CCO)CCN1C(=O)CCC1=O ZINC000342381520 135269469 /nfs/dbraw/zinc/26/94/69/135269469.db2.gz FWNYIJMQQFSFCK-UHFFFAOYSA-N 1 0 229.280 -1.612 20 0 BAADRO [NH3+]CCN(CCO)CC(=O)NC(=O)NC1CC1 ZINC000342382872 135269114 /nfs/dbraw/zinc/26/91/14/135269114.db2.gz HDVCFSIDKPYVOG-UHFFFAOYSA-N 1 0 244.295 -1.772 20 0 BAADRO CCNC(=O)NC(=O)[C@@H](C)N(CC[NH3+])CCO ZINC000342388271 135270266 /nfs/dbraw/zinc/27/02/66/135270266.db2.gz MSLIZRJTJAOSIP-MRVPVSSYSA-N 1 0 246.311 -1.526 20 0 BAADRO CCNC(=O)NC(=O)[C@H](C)N(CC[NH3+])CCO ZINC000342388280 535792404 /nfs/dbraw/zinc/79/24/04/535792404.db2.gz MSLIZRJTJAOSIP-QMMMGPOBSA-N 1 0 246.311 -1.526 20 0 BAADRO Cc1cc(NC(=O)CN(CC[NH3+])CCO)no1 ZINC000342390492 412345445 /nfs/dbraw/zinc/34/54/45/412345445.db2.gz PWWPRDJFRWMONA-UHFFFAOYSA-N 1 0 242.279 -0.825 20 0 BAADRO CNC(=O)NC(=O)CCN(CC[NH3+])CCO ZINC000342390516 135269897 /nfs/dbraw/zinc/26/98/97/135269897.db2.gz QBQUQOASSBLCLN-UHFFFAOYSA-N 1 0 232.284 -1.915 20 0 BAADRO [NH3+]CCN(CCO)CCC(=O)N1CCOCC1 ZINC000342394574 135271079 /nfs/dbraw/zinc/27/10/79/135271079.db2.gz BHXXBJSWLMMCSK-UHFFFAOYSA-N 1 0 245.323 -1.512 20 0 BAADRO C[NH+](C)CCNC(=O)Cn1cccnc1=O ZINC000342399237 535882523 /nfs/dbraw/zinc/88/25/23/535882523.db2.gz XPTVZLJTHDIUSZ-UHFFFAOYSA-N 1 0 224.264 -1.079 20 0 BAADRO [NH3+]CCN(CCO)CCCN1CCOCC1 ZINC000342402087 135271866 /nfs/dbraw/zinc/27/18/66/135271866.db2.gz OUBFQCLJCMEGKL-UHFFFAOYSA-N 1 0 231.340 -1.038 20 0 BAADRO CCNC(=O)NC(=O)CN(CC[NH3+])CCO ZINC000342402364 135271795 /nfs/dbraw/zinc/27/17/95/135271795.db2.gz PTZCFDHVDSWMAE-UHFFFAOYSA-N 1 0 232.284 -1.915 20 0 BAADRO [NH3+]CCN(CCO)CC(=O)NCC(F)(F)F ZINC000342404634 135271415 /nfs/dbraw/zinc/27/14/15/135271415.db2.gz YGTIEESKLRWSQD-UHFFFAOYSA-N 1 0 243.229 -1.082 20 0 BAADRO CCCNC(=O)NC(=O)CN(CC[NH3+])CCO ZINC000342412358 135266767 /nfs/dbraw/zinc/26/67/67/135266767.db2.gz HCDHGMRWRYUWKR-UHFFFAOYSA-N 1 0 246.311 -1.525 20 0 BAADRO [NH3+]CCN(CCO)CC(=O)Nc1ccncc1 ZINC000342412394 135266872 /nfs/dbraw/zinc/26/68/72/135266872.db2.gz HFHSRZSYZGGDMX-UHFFFAOYSA-N 1 0 238.291 -1.305 20 0 BAADRO CCOCCNC(=O)CN(CC[NH3+])CCO ZINC000342424715 535612549 /nfs/dbraw/zinc/61/25/49/535612549.db2.gz RTEGPVNEVIAMKA-UHFFFAOYSA-N 1 0 233.312 -1.608 20 0 BAADRO [NH3+]CCN(CCO)CC(=O)N1CCOCC1 ZINC000342428264 135273554 /nfs/dbraw/zinc/27/35/54/135273554.db2.gz XBRRTYGSJSYIDL-UHFFFAOYSA-N 1 0 231.296 -1.902 20 0 BAADRO [NH3+]CCN(CCO)CC(=O)N1CCNC(=O)C1 ZINC000342435943 135274050 /nfs/dbraw/zinc/27/40/50/135274050.db2.gz NMEJVQDZLQAYMA-UHFFFAOYSA-N 1 0 244.295 -2.802 20 0 BAADRO CN(C(=O)C[NH+](C)C)[C@@H]1COC[C@H]1O ZINC000342436493 135273958 /nfs/dbraw/zinc/27/39/58/135273958.db2.gz MOVNHBQQHPJUGY-HTQZYQBOSA-N 1 0 202.254 -1.234 20 0 BAADRO CN(C(=O)C[NH+](C)C)[C@H]1COC[C@H]1O ZINC000342436494 135273900 /nfs/dbraw/zinc/27/39/00/135273900.db2.gz MOVNHBQQHPJUGY-JGVFFNPUSA-N 1 0 202.254 -1.234 20 0 BAADRO CN(C(=O)C[NH+](C)C)[C@@H]1COC[C@@H]1O ZINC000342436495 135273918 /nfs/dbraw/zinc/27/39/18/135273918.db2.gz MOVNHBQQHPJUGY-SFYZADRCSA-N 1 0 202.254 -1.234 20 0 BAADRO CN(C(=O)C[NH+](C)C)[C@H]1COC[C@@H]1O ZINC000342436496 135273792 /nfs/dbraw/zinc/27/37/92/135273792.db2.gz MOVNHBQQHPJUGY-YUMQZZPRSA-N 1 0 202.254 -1.234 20 0 BAADRO CNC(=O)C1C[NH+](CCC(=O)NC(N)=O)C1 ZINC000342445413 135274534 /nfs/dbraw/zinc/27/45/34/135274534.db2.gz ZAJBRVYQFZGNPZ-UHFFFAOYSA-N 1 0 228.252 -1.751 20 0 BAADRO NS(=O)(=O)C[C@H]1CCCN1C(=O)C1C[NH2+]C1 ZINC000342515815 136223211 /nfs/dbraw/zinc/22/32/11/136223211.db2.gz SRSOTDNTZJZMFK-MRVPVSSYSA-N 1 0 247.320 -1.515 20 0 BAADRO NS(=O)(=O)C[C@@H]1CCCN1C(=O)C1C[NH2+]C1 ZINC000342515823 136223204 /nfs/dbraw/zinc/22/32/04/136223204.db2.gz SRSOTDNTZJZMFK-QMMMGPOBSA-N 1 0 247.320 -1.515 20 0 BAADRO COC(=O)[C@H]1COCCN1C(=O)C1C[NH2+]C1 ZINC000342531312 135280383 /nfs/dbraw/zinc/28/03/83/135280383.db2.gz SQMVLUCZBIMFMR-MRVPVSSYSA-N 1 0 228.248 -1.394 20 0 BAADRO COC(=O)[C@@H]1COCCN1C(=O)C1C[NH2+]C1 ZINC000342531313 135280368 /nfs/dbraw/zinc/28/03/68/135280368.db2.gz SQMVLUCZBIMFMR-QMMMGPOBSA-N 1 0 228.248 -1.394 20 0 BAADRO C[NH+](C)CC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000342572239 135291042 /nfs/dbraw/zinc/29/10/42/135291042.db2.gz UCRNLFBSJMXYOQ-MRVPVSSYSA-N 1 0 249.336 -1.302 20 0 BAADRO C[NH+](C)CC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000342572240 135291440 /nfs/dbraw/zinc/29/14/40/135291440.db2.gz UCRNLFBSJMXYOQ-QMMMGPOBSA-N 1 0 249.336 -1.302 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC1([NH3+])CCC1 ZINC000342599308 135300862 /nfs/dbraw/zinc/30/08/62/135300862.db2.gz VLXMMCBEACSYJY-SSDOTTSWSA-N 1 0 249.336 -1.078 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC1([NH3+])CCC1 ZINC000342599315 135300860 /nfs/dbraw/zinc/30/08/60/135300860.db2.gz VLXMMCBEACSYJY-ZETCQYMHSA-N 1 0 249.336 -1.078 20 0 BAADRO CNC(=O)C(=O)NCCC[N@H+](C)CCN(C)C ZINC000342607686 135303088 /nfs/dbraw/zinc/30/30/88/135303088.db2.gz OGAKAPLKIARFHS-UHFFFAOYSA-N 1 0 244.339 -1.268 20 0 BAADRO CN(CC(=O)NCC1([NH3+])CCC1)S(C)(=O)=O ZINC000342613225 135295495 /nfs/dbraw/zinc/29/54/95/135295495.db2.gz XSIFTUOUVAQRIR-UHFFFAOYSA-N 1 0 249.336 -1.125 20 0 BAADRO CN(C)C(=O)CNC(=O)NCC[NH+](C)C ZINC000342639126 535883628 /nfs/dbraw/zinc/88/36/28/535883628.db2.gz DKYSKSNGLXGJKE-UHFFFAOYSA-N 1 0 216.285 -1.065 20 0 BAADRO CN(C)C(=O)NCCN(C)C(=O)C1C[NH2+]C1 ZINC000342655136 135307842 /nfs/dbraw/zinc/30/78/42/135307842.db2.gz ZLNRJFRGZOJRBS-UHFFFAOYSA-N 1 0 228.296 -1.065 20 0 BAADRO NC(=O)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000342666839 135308270 /nfs/dbraw/zinc/30/82/70/135308270.db2.gz OWBJRXXXTZOYNR-SSDOTTSWSA-N 1 0 242.279 -1.313 20 0 BAADRO NC(=O)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000342666847 135308919 /nfs/dbraw/zinc/30/89/19/135308919.db2.gz OWBJRXXXTZOYNR-ZETCQYMHSA-N 1 0 242.279 -1.313 20 0 BAADRO CC(C)[C@@H](C(=O)NCC(=O)NCCO)[NH+](C)C ZINC000343111493 135357586 /nfs/dbraw/zinc/35/75/86/135357586.db2.gz JFEGTSXATCNQAO-JTQLQIEISA-N 1 0 245.323 -1.203 20 0 BAADRO CC(C)[C@H](C(=O)NCC(=O)NCCO)[NH+](C)C ZINC000343111494 535325905 /nfs/dbraw/zinc/32/59/05/535325905.db2.gz JFEGTSXATCNQAO-SNVBAGLBSA-N 1 0 245.323 -1.203 20 0 BAADRO CN1CCOC[C@@H]1C(=O)NCC[NH+](C)C ZINC000343295545 353395639 /nfs/dbraw/zinc/39/56/39/353395639.db2.gz HEYWCWSFJKPKTH-SECBINFHSA-N 1 0 215.297 -1.005 20 0 BAADRO CN1CCOC[C@H]1C(=O)NCC[NH+](C)C ZINC000343295548 353395712 /nfs/dbraw/zinc/39/57/12/353395712.db2.gz HEYWCWSFJKPKTH-VIFPVBQESA-N 1 0 215.297 -1.005 20 0 BAADRO CN(CCO)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000343298462 411181836 /nfs/dbraw/zinc/18/18/36/411181836.db2.gz GCDZCAIGQFFKNV-UHFFFAOYSA-N 1 0 243.307 -1.353 20 0 BAADRO NC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)CCO1 ZINC000343415381 353879466 /nfs/dbraw/zinc/87/94/66/353879466.db2.gz LBGFAAZKOXAJDH-BDAKNGLRSA-N 1 0 241.291 -1.301 20 0 BAADRO NC(=O)[C@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)CCO1 ZINC000343415382 353879547 /nfs/dbraw/zinc/87/95/47/353879547.db2.gz LBGFAAZKOXAJDH-DTWKUNHWSA-N 1 0 241.291 -1.301 20 0 BAADRO NC(=O)[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)CCO1 ZINC000343415383 353880537 /nfs/dbraw/zinc/88/05/37/353880537.db2.gz LBGFAAZKOXAJDH-IUCAKERBSA-N 1 0 241.291 -1.301 20 0 BAADRO NC(=O)[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)CCO1 ZINC000343415384 353880335 /nfs/dbraw/zinc/88/03/35/353880335.db2.gz LBGFAAZKOXAJDH-RKDXNWHRSA-N 1 0 241.291 -1.301 20 0 BAADRO CCOC(=O)CNC(=O)[C@H]([NH3+])CCC(=O)OC ZINC000343423715 353881869 /nfs/dbraw/zinc/88/18/69/353881869.db2.gz XBMFSEAQYRGPFI-SSDOTTSWSA-N 1 0 246.263 -1.054 20 0 BAADRO CCOC(=O)CNC(=O)[C@@H]([NH3+])CCC(=O)OC ZINC000343423729 353881369 /nfs/dbraw/zinc/88/13/69/353881369.db2.gz XBMFSEAQYRGPFI-ZETCQYMHSA-N 1 0 246.263 -1.054 20 0 BAADRO CN(CCC(N)=O)C(=O)[C@H]1CN(C)CCO1 ZINC000343447948 353891673 /nfs/dbraw/zinc/89/16/73/353891673.db2.gz JKGSGIRBGSXBRQ-MRVPVSSYSA-N 1 0 229.280 -1.349 20 0 BAADRO CN(CCC(N)=O)C(=O)[C@@H]1CN(C)CCO1 ZINC000343447952 353891620 /nfs/dbraw/zinc/89/16/20/353891620.db2.gz JKGSGIRBGSXBRQ-QMMMGPOBSA-N 1 0 229.280 -1.349 20 0 BAADRO CN(CCC(N)=O)C(=O)[C@H]1COCCN1C ZINC000343468001 353898475 /nfs/dbraw/zinc/89/84/75/353898475.db2.gz GRKWZTQZMCFWKM-MRVPVSSYSA-N 1 0 229.280 -1.349 20 0 BAADRO CN(CCC(N)=O)C(=O)[C@@H]1COCCN1C ZINC000343468002 353898820 /nfs/dbraw/zinc/89/88/20/353898820.db2.gz GRKWZTQZMCFWKM-QMMMGPOBSA-N 1 0 229.280 -1.349 20 0 BAADRO CC(C)[N@H+](C)CC(=O)NCCS(N)(=O)=O ZINC000343579820 353939184 /nfs/dbraw/zinc/93/91/84/353939184.db2.gz FFFCWKRPZVGAIK-UHFFFAOYSA-N 1 0 237.325 -1.269 20 0 BAADRO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CN1CCNCC1=O ZINC000343590546 353941590 /nfs/dbraw/zinc/94/15/90/353941590.db2.gz IOTCQUMCEWDPIQ-BDAKNGLRSA-N 1 0 240.307 -1.634 20 0 BAADRO C[C@H]1[C@H]([NH3+])CCN1C(=O)CN1CCNCC1=O ZINC000343590547 353941699 /nfs/dbraw/zinc/94/16/99/353941699.db2.gz IOTCQUMCEWDPIQ-DTWKUNHWSA-N 1 0 240.307 -1.634 20 0 BAADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CN1CCNCC1=O ZINC000343590548 353942131 /nfs/dbraw/zinc/94/21/31/353942131.db2.gz IOTCQUMCEWDPIQ-IUCAKERBSA-N 1 0 240.307 -1.634 20 0 BAADRO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CN1CCNCC1=O ZINC000343590549 353941575 /nfs/dbraw/zinc/94/15/75/353941575.db2.gz IOTCQUMCEWDPIQ-RKDXNWHRSA-N 1 0 240.307 -1.634 20 0 BAADRO CNC(=O)CN(C)CCC[N@H+](C)CC(=O)NC ZINC000343594792 353942579 /nfs/dbraw/zinc/94/25/79/353942579.db2.gz YXWCZGHYTPQWLW-UHFFFAOYSA-N 1 0 244.339 -1.268 20 0 BAADRO C[C@H]1OCCN[C@H]1C(=O)NCCC[NH3+] ZINC000343637075 365613938 /nfs/dbraw/zinc/61/39/38/365613938.db2.gz BWKJIZJJAKCKQP-HTQZYQBOSA-N 1 0 201.270 -1.172 20 0 BAADRO C[C@@H]1OCCN[C@H]1C(=O)NCCC[NH3+] ZINC000343637076 388502276 /nfs/dbraw/zinc/50/22/76/388502276.db2.gz BWKJIZJJAKCKQP-JGVFFNPUSA-N 1 0 201.270 -1.172 20 0 BAADRO C[C@H]1OCCN[C@@H]1C(=O)NCCC[NH3+] ZINC000343637077 365613582 /nfs/dbraw/zinc/61/35/82/365613582.db2.gz BWKJIZJJAKCKQP-SFYZADRCSA-N 1 0 201.270 -1.172 20 0 BAADRO C[C@@H]1OCCN[C@@H]1C(=O)NCCC[NH3+] ZINC000343637078 388502199 /nfs/dbraw/zinc/50/21/99/388502199.db2.gz BWKJIZJJAKCKQP-YUMQZZPRSA-N 1 0 201.270 -1.172 20 0 BAADRO COC(=O)[C@](C)(O)C[N@H+](C)[C@@H]1CCNC1=O ZINC000343697885 353966214 /nfs/dbraw/zinc/96/62/14/353966214.db2.gz VIKSFNQNCWADBD-GMSGAONNSA-N 1 0 230.264 -1.269 20 0 BAADRO COC(=O)[C@](C)(O)C[N@H+](C)[C@H]1CCNC1=O ZINC000343697893 353966441 /nfs/dbraw/zinc/96/64/41/353966441.db2.gz VIKSFNQNCWADBD-OIBJUYFYSA-N 1 0 230.264 -1.269 20 0 BAADRO COC(=O)[C@@](C)(O)C[N@H+](C)[C@@H]1CCNC1=O ZINC000343697895 353966507 /nfs/dbraw/zinc/96/65/07/353966507.db2.gz VIKSFNQNCWADBD-XCBNKYQSSA-N 1 0 230.264 -1.269 20 0 BAADRO COC(=O)[C@@](C)(O)C[N@H+](C)[C@H]1CCNC1=O ZINC000343697898 353966405 /nfs/dbraw/zinc/96/64/05/353966405.db2.gz VIKSFNQNCWADBD-XVKPBYJWSA-N 1 0 230.264 -1.269 20 0 BAADRO C[C@@H]1C[N@H+](C)CCN1Cc1nc(N)nc(N)n1 ZINC000343780952 354017457 /nfs/dbraw/zinc/01/74/57/354017457.db2.gz LPTBBJCSASNXSK-SSDOTTSWSA-N 1 0 237.311 -1.167 20 0 BAADRO C[C@H]1C[N@H+](C)CCN1Cc1nc(N)nc(N)n1 ZINC000343780953 354017513 /nfs/dbraw/zinc/01/75/13/354017513.db2.gz LPTBBJCSASNXSK-ZETCQYMHSA-N 1 0 237.311 -1.167 20 0 BAADRO COC(=O)[C@@](C)(O)C[N@H+](CCO)CCCO ZINC000343813523 388501927 /nfs/dbraw/zinc/50/19/27/388501927.db2.gz MCNHBEHYQWZZPW-JTQLQIEISA-N 1 0 235.280 -1.413 20 0 BAADRO COC(=O)[C@](C)(O)C[N@H+](CCO)CCCO ZINC000343813524 388502140 /nfs/dbraw/zinc/50/21/40/388502140.db2.gz MCNHBEHYQWZZPW-SNVBAGLBSA-N 1 0 235.280 -1.413 20 0 BAADRO COC(=O)[C@](C)(O)C[N@H+](C[C@H](C)O)[C@@H](C)CO ZINC000343827111 354015819 /nfs/dbraw/zinc/01/58/19/354015819.db2.gz QRGJEQLQAQMMBB-ATZCPNFKSA-N 1 0 249.307 -1.026 20 0 BAADRO COC(=O)[C@](C)(O)C[N@H+](C[C@@H](C)O)[C@H](C)CO ZINC000343827112 354015897 /nfs/dbraw/zinc/01/58/97/354015897.db2.gz QRGJEQLQAQMMBB-FXPVBKGRSA-N 1 0 249.307 -1.026 20 0 BAADRO COC(=O)[C@](C)(O)C[N@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000343827113 354015966 /nfs/dbraw/zinc/01/59/66/354015966.db2.gz QRGJEQLQAQMMBB-IQJOONFLSA-N 1 0 249.307 -1.026 20 0 BAADRO COC(=O)[C@](C)(O)C[N@H+](C[C@H](C)O)[C@H](C)CO ZINC000343827114 354015975 /nfs/dbraw/zinc/01/59/75/354015975.db2.gz QRGJEQLQAQMMBB-WCABBAIRSA-N 1 0 249.307 -1.026 20 0 BAADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CC[C@@H](O)C1 ZINC000343830903 354034297 /nfs/dbraw/zinc/03/42/97/354034297.db2.gz UGIFPBFQLSVZQG-GHMZBOCLSA-N 1 0 239.319 -1.031 20 0 BAADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CC[C@@H](O)C1 ZINC000343830907 354033978 /nfs/dbraw/zinc/03/39/78/354033978.db2.gz UGIFPBFQLSVZQG-MNOVXSKESA-N 1 0 239.319 -1.031 20 0 BAADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CC[C@H](O)C1 ZINC000343830909 354033930 /nfs/dbraw/zinc/03/39/30/354033930.db2.gz UGIFPBFQLSVZQG-QWRGUYRKSA-N 1 0 239.319 -1.031 20 0 BAADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CC[C@H](O)C1 ZINC000343830912 354033999 /nfs/dbraw/zinc/03/39/99/354033999.db2.gz UGIFPBFQLSVZQG-WDEREUQCSA-N 1 0 239.319 -1.031 20 0 BAADRO COC(=O)[C@](C)(O)C[N@H+](C)CCC(N)=O ZINC000343932299 365640886 /nfs/dbraw/zinc/64/08/86/365640886.db2.gz FTKDJLZVXBLLBW-SECBINFHSA-N 1 0 218.253 -1.282 20 0 BAADRO COC(=O)[C@@](C)(O)C[N@H+](C)CCC(N)=O ZINC000343932314 388503205 /nfs/dbraw/zinc/50/32/05/388503205.db2.gz FTKDJLZVXBLLBW-VIFPVBQESA-N 1 0 218.253 -1.282 20 0 BAADRO C[NH+](C)CC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000343950420 354069875 /nfs/dbraw/zinc/06/98/75/354069875.db2.gz PJQPRSJDMBWHQG-SSDOTTSWSA-N 1 0 240.263 -1.689 20 0 BAADRO C[NH+](C)CC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000343950424 354070183 /nfs/dbraw/zinc/07/01/83/354070183.db2.gz PJQPRSJDMBWHQG-ZETCQYMHSA-N 1 0 240.263 -1.689 20 0 BAADRO C[C@H](CNC(=O)CN1CCOCC1=O)[NH+](C)C ZINC000344376235 354255891 /nfs/dbraw/zinc/25/58/91/354255891.db2.gz ZTZFXDCXKBULEM-SECBINFHSA-N 1 0 243.307 -1.089 20 0 BAADRO C[C@@H](CNC(=O)CN1CCOCC1=O)[NH+](C)C ZINC000344376236 354255566 /nfs/dbraw/zinc/25/55/66/354255566.db2.gz ZTZFXDCXKBULEM-VIFPVBQESA-N 1 0 243.307 -1.089 20 0 BAADRO C[NH+](C)CCN1CCN(C(=O)CC(N)=O)CC1 ZINC000344399334 354249883 /nfs/dbraw/zinc/24/98/83/354249883.db2.gz JOEREOYADMLGFL-UHFFFAOYSA-N 1 0 242.323 -1.432 20 0 BAADRO CC[N@H+](C)CCNC(=O)CN1CCOCC1=O ZINC000344404533 354250721 /nfs/dbraw/zinc/25/07/21/354250721.db2.gz BCSWCJALQMVPIV-UHFFFAOYSA-N 1 0 243.307 -1.087 20 0 BAADRO C[NH+](C)C1CN(C(=O)CN2CCOCC2=O)C1 ZINC000344563989 354300082 /nfs/dbraw/zinc/30/00/82/354300082.db2.gz RBGSYDTUGAOQDT-UHFFFAOYSA-N 1 0 241.291 -1.382 20 0 BAADRO COCC[N@H+](C)CCCNC(=O)CC(N)=O ZINC000344585236 354294948 /nfs/dbraw/zinc/29/49/48/354294948.db2.gz SMGVAMFKRZWABF-UHFFFAOYSA-N 1 0 231.296 -1.054 20 0 BAADRO COC(=O)CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000344606500 354324965 /nfs/dbraw/zinc/32/49/65/354324965.db2.gz ODIVFNCJGLAADZ-SSDOTTSWSA-N 1 0 243.263 -1.856 20 0 BAADRO COC(=O)CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000344606501 135786791 /nfs/dbraw/zinc/78/67/91/135786791.db2.gz ODIVFNCJGLAADZ-ZETCQYMHSA-N 1 0 243.263 -1.856 20 0 BAADRO CC(=O)NC[C@H]1CN(C(=O)C[NH+](C)C)CCO1 ZINC000344646848 534491286 /nfs/dbraw/zinc/49/12/86/534491286.db2.gz KTMJZHXSTQQVAX-JTQLQIEISA-N 1 0 243.307 -1.089 20 0 BAADRO CC(=O)NC[C@@H]1CN(C(=O)C[NH+](C)C)CCO1 ZINC000344646849 136232114 /nfs/dbraw/zinc/23/21/14/136232114.db2.gz KTMJZHXSTQQVAX-SNVBAGLBSA-N 1 0 243.307 -1.089 20 0 BAADRO C[NH+](C)CCNC(=O)CN1CCOCC1=O ZINC000344655714 135789980 /nfs/dbraw/zinc/78/99/80/135789980.db2.gz PGZVFKYJHJAVPQ-UHFFFAOYSA-N 1 0 229.280 -1.477 20 0 BAADRO COCCN(CC[NH+](C)C)C(=O)CNC(N)=O ZINC000344696788 354336580 /nfs/dbraw/zinc/33/65/80/354336580.db2.gz GXZKKLAYFZSUAT-UHFFFAOYSA-N 1 0 246.311 -1.309 20 0 BAADRO CN(C)S(=O)(=O)CC(=O)N1CC([NH+](C)C)C1 ZINC000345146343 386012255 /nfs/dbraw/zinc/01/22/55/386012255.db2.gz AQWZZAODXHIGSB-UHFFFAOYSA-N 1 0 249.336 -1.350 20 0 BAADRO CNS(=O)(=O)CC(=O)N1CC([NH+](C)C)C1 ZINC000345250900 135893251 /nfs/dbraw/zinc/89/32/51/135893251.db2.gz ZANWTUAOXBDTJC-UHFFFAOYSA-N 1 0 235.309 -1.692 20 0 BAADRO CCC[N@H+](C)CC(=O)NC[C@@H](O)C(=O)OC ZINC000345311585 386101432 /nfs/dbraw/zinc/10/14/32/386101432.db2.gz YDCJTWPFFLGDIF-MRVPVSSYSA-N 1 0 232.280 -1.022 20 0 BAADRO CCC[N@H+](C)CC(=O)NC[C@H](O)C(=O)OC ZINC000345311586 386100300 /nfs/dbraw/zinc/10/03/00/386100300.db2.gz YDCJTWPFFLGDIF-QMMMGPOBSA-N 1 0 232.280 -1.022 20 0 BAADRO CCOC(=O)[C@@](C)(O)CNC(=O)C[NH+](C)C ZINC000345430333 354666949 /nfs/dbraw/zinc/66/69/49/354666949.db2.gz ZHVVUZZBAKCIOH-JTQLQIEISA-N 1 0 232.280 -1.022 20 0 BAADRO CCOC(=O)[C@](C)(O)CNC(=O)C[NH+](C)C ZINC000345430335 354666977 /nfs/dbraw/zinc/66/69/77/354666977.db2.gz ZHVVUZZBAKCIOH-SNVBAGLBSA-N 1 0 232.280 -1.022 20 0 BAADRO CN1CCO[C@H](C(=O)N2CC[C@@H](C(N)=O)C2)C1 ZINC000345451230 354658265 /nfs/dbraw/zinc/65/82/65/354658265.db2.gz DXNAKSYBQOYZEL-BDAKNGLRSA-N 1 0 241.291 -1.349 20 0 BAADRO CN1CCO[C@@H](C(=O)N2CC[C@H](C(N)=O)C2)C1 ZINC000345451231 354657925 /nfs/dbraw/zinc/65/79/25/354657925.db2.gz DXNAKSYBQOYZEL-DTWKUNHWSA-N 1 0 241.291 -1.349 20 0 BAADRO CN1CCO[C@H](C(=O)N2CC[C@H](C(N)=O)C2)C1 ZINC000345451232 354658348 /nfs/dbraw/zinc/65/83/48/354658348.db2.gz DXNAKSYBQOYZEL-IUCAKERBSA-N 1 0 241.291 -1.349 20 0 BAADRO CN1CCO[C@@H](C(=O)N2CC[C@@H](C(N)=O)C2)C1 ZINC000345451233 354658406 /nfs/dbraw/zinc/65/84/06/354658406.db2.gz DXNAKSYBQOYZEL-RKDXNWHRSA-N 1 0 241.291 -1.349 20 0 BAADRO CC[N@H+](CCO)CCNC(=O)C(=O)NC1CC1 ZINC000345811059 354779731 /nfs/dbraw/zinc/77/97/31/354779731.db2.gz DHNLYMNCVWMZJD-UHFFFAOYSA-N 1 0 243.307 -1.305 20 0 BAADRO CC[C@@H](CO)[N@H+](C)CC(=O)NC(N)=O ZINC000345822170 365921544 /nfs/dbraw/zinc/92/15/44/365921544.db2.gz ACYYNRNQLMWINE-LURJTMIESA-N 1 0 203.242 -1.116 20 0 BAADRO CC[C@H](CO)[N@H+](C)CC(=O)NC(N)=O ZINC000345822207 388515481 /nfs/dbraw/zinc/51/54/81/388515481.db2.gz ACYYNRNQLMWINE-ZCFIWIBFSA-N 1 0 203.242 -1.116 20 0 BAADRO [NH3+][C@@H]1CCCN(CC(=O)N2CCNC(=O)C2)C1 ZINC000346076170 135912731 /nfs/dbraw/zinc/91/27/31/135912731.db2.gz AKJSPWXNNYVTSZ-SECBINFHSA-N 1 0 240.307 -1.632 20 0 BAADRO [NH3+][C@H]1CCCN(CC(=O)N2CCNC(=O)C2)C1 ZINC000346076171 354859324 /nfs/dbraw/zinc/85/93/24/354859324.db2.gz AKJSPWXNNYVTSZ-VIFPVBQESA-N 1 0 240.307 -1.632 20 0 BAADRO CC[N@H+](CCO)CCNC(=O)[C@@H](C)O ZINC000346196895 386184144 /nfs/dbraw/zinc/18/41/44/386184144.db2.gz SDBCBXXEGZUCPG-MRVPVSSYSA-N 1 0 204.270 -1.202 20 0 BAADRO CC[N@H+](CCO)CCNC(=O)[C@H](C)O ZINC000346196923 386184881 /nfs/dbraw/zinc/18/48/81/386184881.db2.gz SDBCBXXEGZUCPG-QMMMGPOBSA-N 1 0 204.270 -1.202 20 0 BAADRO Cn1nc(NC[C@@](C)(O)C[NH+](C)C)ccc1=O ZINC000346266741 410728358 /nfs/dbraw/zinc/72/83/58/410728358.db2.gz AZOKIKPGFRJTHK-LLVKDONJSA-N 1 0 240.307 -0.495 20 0 BAADRO OCCC[N@H+](CCO)C[C@@H](O)Cn1cccn1 ZINC000346351889 354888609 /nfs/dbraw/zinc/88/86/09/354888609.db2.gz XMHGJSVSUGPVPC-LLVKDONJSA-N 1 0 243.307 -1.079 20 0 BAADRO OCCC[N@H+](CCO)C[C@H](O)Cn1cccn1 ZINC000346351890 354888513 /nfs/dbraw/zinc/88/85/13/354888513.db2.gz XMHGJSVSUGPVPC-NSHDSACASA-N 1 0 243.307 -1.079 20 0 BAADRO CNC(=O)NC(=O)CC[N@H+](CCO)CCCO ZINC000346368006 173286586 /nfs/dbraw/zinc/28/65/86/173286586.db2.gz CNFCDBKDVSXNOA-UHFFFAOYSA-N 1 0 247.295 -1.491 20 0 BAADRO COCCC[N@H+](C)CCNC(=O)CC(N)=O ZINC000346429673 354928888 /nfs/dbraw/zinc/92/88/88/354928888.db2.gz HMTZXOVRWULLCV-UHFFFAOYSA-N 1 0 231.296 -1.054 20 0 BAADRO C[NH2+]CCN(C)Cc1cn(C)c(=O)n(C)c1=O ZINC000346684933 355011491 /nfs/dbraw/zinc/01/14/91/355011491.db2.gz SEXUEQTVFCTBAI-UHFFFAOYSA-N 1 0 240.307 -1.265 20 0 BAADRO CC(C)([NH3+])CN1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000346954072 355166403 /nfs/dbraw/zinc/16/64/03/355166403.db2.gz ALLQMSVFAPATRV-MRVPVSSYSA-N 1 0 240.307 -1.634 20 0 BAADRO CC(C)([NH3+])CN1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000346954189 355166388 /nfs/dbraw/zinc/16/63/88/355166388.db2.gz ALLQMSVFAPATRV-QMMMGPOBSA-N 1 0 240.307 -1.634 20 0 BAADRO C[C@H](C[NH3+])N(C)Cc1cn(C)c(=O)n(C)c1=O ZINC000347039564 386226103 /nfs/dbraw/zinc/22/61/03/386226103.db2.gz JPHIVTWHLWVUFU-MRVPVSSYSA-N 1 0 240.307 -1.137 20 0 BAADRO C[C@@H](C[NH3+])N(C)Cc1cn(C)c(=O)n(C)c1=O ZINC000347039603 386226164 /nfs/dbraw/zinc/22/61/64/386226164.db2.gz JPHIVTWHLWVUFU-QMMMGPOBSA-N 1 0 240.307 -1.137 20 0 BAADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)CO)CC1 ZINC000347072911 386216072 /nfs/dbraw/zinc/21/60/72/386216072.db2.gz BOZXKYODPOLIEW-SECBINFHSA-N 1 0 216.281 -1.106 20 0 BAADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)CO)CC1 ZINC000347072912 386216113 /nfs/dbraw/zinc/21/61/13/386216113.db2.gz BOZXKYODPOLIEW-VIFPVBQESA-N 1 0 216.281 -1.106 20 0 BAADRO COC[C@@H](O)C[N@@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347269951 386310803 /nfs/dbraw/zinc/31/08/03/386310803.db2.gz HEAOUZXBFFMLOP-AEJSXWLSSA-N 1 0 219.281 -1.189 20 0 BAADRO COC[C@H](O)C[N@@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347269954 386310926 /nfs/dbraw/zinc/31/09/26/386310926.db2.gz HEAOUZXBFFMLOP-KXUCPTDWSA-N 1 0 219.281 -1.189 20 0 BAADRO COC[C@H](O)C[NH+]1[C@H](CO)CC[C@H]1CO ZINC000347269957 386309961 /nfs/dbraw/zinc/30/99/61/386309961.db2.gz HEAOUZXBFFMLOP-LPEHRKFASA-N 1 0 219.281 -1.189 20 0 BAADRO COC[C@H](O)C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000347269959 386309780 /nfs/dbraw/zinc/30/97/80/386309780.db2.gz HEAOUZXBFFMLOP-OPRDCNLKSA-N 1 0 219.281 -1.189 20 0 BAADRO OCCOCC[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000347305663 133823813 /nfs/dbraw/zinc/82/38/13/133823813.db2.gz MFXCIDSOXATJBI-NXEZZACHSA-N 1 0 219.281 -1.187 20 0 BAADRO OCCOCC[NH+]1[C@H](CO)CC[C@H]1CO ZINC000347305665 386349234 /nfs/dbraw/zinc/34/92/34/386349234.db2.gz MFXCIDSOXATJBI-UWVGGRQHSA-N 1 0 219.281 -1.187 20 0 BAADRO CN(C)C(=O)C[N@@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347318045 386358804 /nfs/dbraw/zinc/35/88/04/386358804.db2.gz TYRCHMYCMJEUCS-DTORHVGOSA-N 1 0 216.281 -1.108 20 0 BAADRO CN(C)C(=O)C[NH+]1[C@H](CO)CC[C@H]1CO ZINC000347318049 386358061 /nfs/dbraw/zinc/35/80/61/386358061.db2.gz TYRCHMYCMJEUCS-IUCAKERBSA-N 1 0 216.281 -1.108 20 0 BAADRO CN(C)C(=O)C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000347318053 386359058 /nfs/dbraw/zinc/35/90/58/386359058.db2.gz TYRCHMYCMJEUCS-RKDXNWHRSA-N 1 0 216.281 -1.108 20 0 BAADRO CN(CC(=O)N1CCC[C@@H]([NH3+])C1)S(C)(=O)=O ZINC000347334961 386331970 /nfs/dbraw/zinc/33/19/70/386331970.db2.gz JMKIWWBEJJMAMU-MRVPVSSYSA-N 1 0 249.336 -1.173 20 0 BAADRO CN(CC(=O)N1CCC[C@H]([NH3+])C1)S(C)(=O)=O ZINC000347334964 133820781 /nfs/dbraw/zinc/82/07/81/133820781.db2.gz JMKIWWBEJJMAMU-QMMMGPOBSA-N 1 0 249.336 -1.173 20 0 BAADRO CNC(=O)CC[N@@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347352021 386347086 /nfs/dbraw/zinc/34/70/86/386347086.db2.gz XMYKCZQAFRWPEB-DTORHVGOSA-N 1 0 216.281 -1.060 20 0 BAADRO CNC(=O)CC[NH+]1[C@H](CO)CC[C@H]1CO ZINC000347352042 133823906 /nfs/dbraw/zinc/82/39/06/133823906.db2.gz XMYKCZQAFRWPEB-IUCAKERBSA-N 1 0 216.281 -1.060 20 0 BAADRO CNC(=O)CC[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000347352043 386347548 /nfs/dbraw/zinc/34/75/48/386347548.db2.gz XMYKCZQAFRWPEB-RKDXNWHRSA-N 1 0 216.281 -1.060 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000347371782 133827732 /nfs/dbraw/zinc/82/77/32/133827732.db2.gz POVJBVWOMAWJLM-HTQZYQBOSA-N 1 0 249.336 -1.126 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000347371783 386371018 /nfs/dbraw/zinc/37/10/18/386371018.db2.gz POVJBVWOMAWJLM-JGVFFNPUSA-N 1 0 249.336 -1.126 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000347371784 133827762 /nfs/dbraw/zinc/82/77/62/133827762.db2.gz POVJBVWOMAWJLM-SFYZADRCSA-N 1 0 249.336 -1.126 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000347371785 133828035 /nfs/dbraw/zinc/82/80/35/133828035.db2.gz POVJBVWOMAWJLM-YUMQZZPRSA-N 1 0 249.336 -1.126 20 0 BAADRO CNC(=O)C[N@H+](C)CCC(=O)NCC(=O)OC ZINC000347382432 386373461 /nfs/dbraw/zinc/37/34/61/386373461.db2.gz JGTLBNUDXFZARZ-UHFFFAOYSA-N 1 0 245.279 -1.657 20 0 BAADRO Cn1[nH]c(CN2CC[NH+](C)CC2)nc1=O ZINC000347392413 386378919 /nfs/dbraw/zinc/37/89/19/386378919.db2.gz LJLWPUNBEIAVEG-UHFFFAOYSA-N 1 0 211.269 -1.144 20 0 BAADRO CC(C)OC(=O)CCNC(=O)CNC(=O)C[NH3+] ZINC000347626295 355240398 /nfs/dbraw/zinc/24/03/98/355240398.db2.gz RSVJWUTVUMFMAB-UHFFFAOYSA-N 1 0 245.279 -1.481 20 0 BAADRO C[C@H](C[NH3+])NC(=O)CCN1CCCS1(=O)=O ZINC000347628147 355240478 /nfs/dbraw/zinc/24/04/78/355240478.db2.gz XODXEYQFRCHPAJ-MRVPVSSYSA-N 1 0 249.336 -1.125 20 0 BAADRO C[C@@H](C[NH3+])NC(=O)CCN1CCCS1(=O)=O ZINC000347628148 355240224 /nfs/dbraw/zinc/24/02/24/355240224.db2.gz XODXEYQFRCHPAJ-QMMMGPOBSA-N 1 0 249.336 -1.125 20 0 BAADRO COC[C@@H](NC(=O)CNC(=O)C[NH3+])C1CC1 ZINC000347644455 388523035 /nfs/dbraw/zinc/52/30/35/388523035.db2.gz CRIFLDUTXFFOLL-MRVPVSSYSA-N 1 0 229.280 -1.398 20 0 BAADRO COC[C@H](NC(=O)CNC(=O)C[NH3+])C1CC1 ZINC000347644458 536866861 /nfs/dbraw/zinc/86/68/61/536866861.db2.gz CRIFLDUTXFFOLL-QMMMGPOBSA-N 1 0 229.280 -1.398 20 0 BAADRO CCOC(=O)[C@H](C)CNC(=O)CNC(=O)C[NH3+] ZINC000347644613 535606700 /nfs/dbraw/zinc/60/67/00/535606700.db2.gz LVFZXMSOBUDBQN-SSDOTTSWSA-N 1 0 245.279 -1.623 20 0 BAADRO CCOC(=O)[C@@H](C)CNC(=O)CNC(=O)C[NH3+] ZINC000347644620 355272682 /nfs/dbraw/zinc/27/26/82/355272682.db2.gz LVFZXMSOBUDBQN-ZETCQYMHSA-N 1 0 245.279 -1.623 20 0 BAADRO COCCN1C[C@@H](C(=O)N[C@H](C)C[NH3+])CC1=O ZINC000347645441 135999967 /nfs/dbraw/zinc/99/99/67/135999967.db2.gz DEVIOGBVEGTMOO-BDAKNGLRSA-N 1 0 243.307 -1.055 20 0 BAADRO COCCN1C[C@H](C(=O)N[C@H](C)C[NH3+])CC1=O ZINC000347645442 536883488 /nfs/dbraw/zinc/88/34/88/536883488.db2.gz DEVIOGBVEGTMOO-RKDXNWHRSA-N 1 0 243.307 -1.055 20 0 BAADRO C[C@@H]1COC[C@@H](C)N1C(=O)CNC(=O)C[NH3+] ZINC000347649475 136000620 /nfs/dbraw/zinc/00/06/20/136000620.db2.gz HMKRUDUFECPEDU-HTQZYQBOSA-N 1 0 229.280 -1.303 20 0 BAADRO C[C@@H]1COC[C@H](C)N1C(=O)CNC(=O)C[NH3+] ZINC000347650323 136000511 /nfs/dbraw/zinc/00/05/11/136000511.db2.gz HMKRUDUFECPEDU-OCAPTIKFSA-N 1 0 229.280 -1.303 20 0 BAADRO C[C@H]1COC[C@H](C)N1C(=O)CNC(=O)C[NH3+] ZINC000347650325 136000559 /nfs/dbraw/zinc/00/05/59/136000559.db2.gz HMKRUDUFECPEDU-YUMQZZPRSA-N 1 0 229.280 -1.303 20 0 BAADRO C[NH+](C)CC(=O)N[C@H](CO)CN1CCOCC1 ZINC000347654121 136001531 /nfs/dbraw/zinc/00/15/31/136001531.db2.gz GISWCJHTRHERMO-JTQLQIEISA-N 1 0 245.323 -1.643 20 0 BAADRO C[NH+](C)CC(=O)N[C@@H](CO)CN1CCOCC1 ZINC000347654122 136001488 /nfs/dbraw/zinc/00/14/88/136001488.db2.gz GISWCJHTRHERMO-SNVBAGLBSA-N 1 0 245.323 -1.643 20 0 BAADRO CC(C)[C@H](O)CCNC(=O)CNC(=O)C[NH3+] ZINC000347660908 535145207 /nfs/dbraw/zinc/14/52/07/535145207.db2.gz UIBZMEYMQASWSO-MRVPVSSYSA-N 1 0 231.296 -1.416 20 0 BAADRO CC(C)[C@@H](O)CCNC(=O)CNC(=O)C[NH3+] ZINC000347660909 535234571 /nfs/dbraw/zinc/23/45/71/535234571.db2.gz UIBZMEYMQASWSO-QMMMGPOBSA-N 1 0 231.296 -1.416 20 0 BAADRO CCc1cc(NC(=O)CNC(=O)C[NH3+])n(C)n1 ZINC000347674534 355261935 /nfs/dbraw/zinc/26/19/35/355261935.db2.gz MOBDUUANQKUPJB-UHFFFAOYSA-N 1 0 239.279 -1.004 20 0 BAADRO CCOC(=O)C(C)(C)NC(=O)CNC(=O)C[NH3+] ZINC000347674577 355261562 /nfs/dbraw/zinc/26/15/62/355261562.db2.gz MRJFNQLUHMZFDX-UHFFFAOYSA-N 1 0 245.279 -1.481 20 0 BAADRO C[C@@H](C[NH3+])NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000347676987 355264382 /nfs/dbraw/zinc/26/43/82/355264382.db2.gz IGRMSIAFNIHOPX-LURJTMIESA-N 1 0 242.279 -1.220 20 0 BAADRO C[C@H](C[NH3+])NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000347676991 355264442 /nfs/dbraw/zinc/26/44/42/355264442.db2.gz IGRMSIAFNIHOPX-ZCFIWIBFSA-N 1 0 242.279 -1.220 20 0 BAADRO CC[NH+](CC)CC(=O)N(CC(N)=O)CC(N)=O ZINC000347678319 355265054 /nfs/dbraw/zinc/26/50/54/355265054.db2.gz MXOYXYHFNMJWEA-UHFFFAOYSA-N 1 0 244.295 -1.873 20 0 BAADRO CC[C@@H](C)[C@H](O)CNC(=O)CNC(=O)C[NH3+] ZINC000347679494 355265878 /nfs/dbraw/zinc/26/58/78/355265878.db2.gz YEKZQHPFIIXKPI-HTQZYQBOSA-N 1 0 231.296 -1.416 20 0 BAADRO CC[C@H](C)[C@H](O)CNC(=O)CNC(=O)C[NH3+] ZINC000347679500 355265903 /nfs/dbraw/zinc/26/59/03/355265903.db2.gz YEKZQHPFIIXKPI-JGVFFNPUSA-N 1 0 231.296 -1.416 20 0 BAADRO CC[C@@H](C)[C@@H](O)CNC(=O)CNC(=O)C[NH3+] ZINC000347679505 355266448 /nfs/dbraw/zinc/26/64/48/355266448.db2.gz YEKZQHPFIIXKPI-SFYZADRCSA-N 1 0 231.296 -1.416 20 0 BAADRO CC[C@H](C)[C@@H](O)CNC(=O)CNC(=O)C[NH3+] ZINC000347679509 135998233 /nfs/dbraw/zinc/99/82/33/135998233.db2.gz YEKZQHPFIIXKPI-YUMQZZPRSA-N 1 0 231.296 -1.416 20 0 BAADRO C[C@H]1OCCN(C(=O)CNC(=O)C[NH3+])[C@@H]1C ZINC000347688345 177398695 /nfs/dbraw/zinc/39/86/95/177398695.db2.gz LVEZAPAKYJQQMK-HTQZYQBOSA-N 1 0 229.280 -1.303 20 0 BAADRO C[C@H]1OCCN(C(=O)CNC(=O)C[NH3+])[C@H]1C ZINC000347688347 388524407 /nfs/dbraw/zinc/52/44/07/388524407.db2.gz LVEZAPAKYJQQMK-JGVFFNPUSA-N 1 0 229.280 -1.303 20 0 BAADRO C[C@@H]1[C@H](C)OCCN1C(=O)CNC(=O)C[NH3+] ZINC000347688348 136004874 /nfs/dbraw/zinc/00/48/74/136004874.db2.gz LVEZAPAKYJQQMK-SFYZADRCSA-N 1 0 229.280 -1.303 20 0 BAADRO C[C@@H]1OCCN(C(=O)CNC(=O)C[NH3+])[C@H]1C ZINC000347688350 388524557 /nfs/dbraw/zinc/52/45/57/388524557.db2.gz LVEZAPAKYJQQMK-YUMQZZPRSA-N 1 0 229.280 -1.303 20 0 BAADRO C[C@@H](C[NH3+])NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000347691735 136005871 /nfs/dbraw/zinc/00/58/71/136005871.db2.gz TTYICDSOESSRGS-LURJTMIESA-N 1 0 242.279 -1.220 20 0 BAADRO C[C@H](C[NH3+])NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000347691736 136006014 /nfs/dbraw/zinc/00/60/14/136006014.db2.gz TTYICDSOESSRGS-ZCFIWIBFSA-N 1 0 242.279 -1.220 20 0 BAADRO CC[C@](C)(NC(=O)CNC(=O)C[NH3+])C(=O)OC ZINC000347697801 136006672 /nfs/dbraw/zinc/00/66/72/136006672.db2.gz REUWLGYTUWDQPN-JTQLQIEISA-N 1 0 245.279 -1.481 20 0 BAADRO CC[C@@](C)(NC(=O)CNC(=O)C[NH3+])C(=O)OC ZINC000347697803 136006542 /nfs/dbraw/zinc/00/65/42/136006542.db2.gz REUWLGYTUWDQPN-SNVBAGLBSA-N 1 0 245.279 -1.481 20 0 BAADRO C[C@H](C[NH3+])NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000347702846 136007482 /nfs/dbraw/zinc/00/74/82/136007482.db2.gz VGPKIPAGQUXYCR-SSDOTTSWSA-N 1 0 240.263 -1.990 20 0 BAADRO C[C@@H](C[NH3+])NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000347704697 136007415 /nfs/dbraw/zinc/00/74/15/136007415.db2.gz VGPKIPAGQUXYCR-ZETCQYMHSA-N 1 0 240.263 -1.990 20 0 BAADRO CC[NH+](CC)CCNC(=O)[C@@H](CO)NC(N)=O ZINC000347732379 535537574 /nfs/dbraw/zinc/53/75/74/535537574.db2.gz YUNGEIQDIRWLRA-MRVPVSSYSA-N 1 0 246.311 -1.526 20 0 BAADRO CC[NH+](CC)CCNC(=O)[C@H](CO)NC(N)=O ZINC000347732400 136004762 /nfs/dbraw/zinc/00/47/62/136004762.db2.gz YUNGEIQDIRWLRA-QMMMGPOBSA-N 1 0 246.311 -1.526 20 0 BAADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCC(N)=O ZINC000347739686 136006969 /nfs/dbraw/zinc/00/69/69/136006969.db2.gz OBYXRPVRYZKQJO-MRVPVSSYSA-N 1 0 229.280 -1.444 20 0 BAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCC(N)=O ZINC000347739687 136007092 /nfs/dbraw/zinc/00/70/92/136007092.db2.gz OBYXRPVRYZKQJO-QMMMGPOBSA-N 1 0 229.280 -1.444 20 0 BAADRO CC[N@H+](CCO)CCNC(=O)[C@@H](C)NC(C)=O ZINC000347792031 136010256 /nfs/dbraw/zinc/01/02/56/136010256.db2.gz KNAOXGYOFSTOJX-SECBINFHSA-N 1 0 245.323 -1.059 20 0 BAADRO CC[N@H+](CCO)CCNC(=O)[C@H](C)NC(C)=O ZINC000347792034 136010346 /nfs/dbraw/zinc/01/03/46/136010346.db2.gz KNAOXGYOFSTOJX-VIFPVBQESA-N 1 0 245.323 -1.059 20 0 BAADRO CC[N@H+](CCO)CCNC(=O)CN(C)C(C)=O ZINC000347792436 136010265 /nfs/dbraw/zinc/01/02/65/136010265.db2.gz AQRKYBQTZXGTEJ-UHFFFAOYSA-N 1 0 245.323 -1.105 20 0 BAADRO CC[N@H+](CCO)CCNC(=O)Cn1cnnn1 ZINC000347794991 136010110 /nfs/dbraw/zinc/01/01/10/136010110.db2.gz PSLBRFFXGVSVIM-UHFFFAOYSA-N 1 0 242.283 -1.897 20 0 BAADRO CC[N@H+](CCO)CCNC(=O)CNC(=O)NC ZINC000347797421 136012908 /nfs/dbraw/zinc/01/29/08/136012908.db2.gz ZMJMBLYCMWEENZ-UHFFFAOYSA-N 1 0 246.311 -1.654 20 0 BAADRO COC(=O)[C@@H](CNC(=O)C[NH+](C)C)OC ZINC000347805320 136013485 /nfs/dbraw/zinc/01/34/85/136013485.db2.gz YMEWTIQGGROHOQ-SSDOTTSWSA-N 1 0 218.253 -1.148 20 0 BAADRO COC(=O)[C@H](CNC(=O)C[NH+](C)C)OC ZINC000347805327 136013366 /nfs/dbraw/zinc/01/33/66/136013366.db2.gz YMEWTIQGGROHOQ-ZETCQYMHSA-N 1 0 218.253 -1.148 20 0 BAADRO CCNC(=O)CC(=O)NCC[N@H+](CC)CCO ZINC000347806810 136013375 /nfs/dbraw/zinc/01/33/75/136013375.db2.gz LIUSKQZCNFJKMD-UHFFFAOYSA-N 1 0 245.323 -1.057 20 0 BAADRO CC[N@H+](CCO)CCNC(=O)[C@@H](C)NC(N)=O ZINC000347811658 136013798 /nfs/dbraw/zinc/01/37/98/136013798.db2.gz TZMSORDUKIVEBF-MRVPVSSYSA-N 1 0 246.311 -1.526 20 0 BAADRO CC[N@H+](CCO)CCNC(=O)[C@H](C)NC(N)=O ZINC000347811660 136013930 /nfs/dbraw/zinc/01/39/30/136013930.db2.gz TZMSORDUKIVEBF-QMMMGPOBSA-N 1 0 246.311 -1.526 20 0 BAADRO CC[N@H+](CCO)CCNC(=O)CNC(C)=O ZINC000347811947 136013646 /nfs/dbraw/zinc/01/36/46/136013646.db2.gz VOUPFUFYQRJMLB-UHFFFAOYSA-N 1 0 231.296 -1.447 20 0 BAADRO COC(=O)CN(C)C(=O)CC[N@H+](C)CC(N)=O ZINC000348059324 536463694 /nfs/dbraw/zinc/46/36/94/536463694.db2.gz RDDHZBXDMNNKAN-UHFFFAOYSA-N 1 0 245.279 -1.575 20 0 BAADRO NC(=O)NC(=O)CCC[N@H+](CCO)CCCO ZINC000348137985 136038673 /nfs/dbraw/zinc/03/86/73/136038673.db2.gz YGZCYTUAWGZOCS-UHFFFAOYSA-N 1 0 247.295 -1.362 20 0 BAADRO CN(CCN1CCCS1(=O)=O)CC(N)=O ZINC000348266961 136058249 /nfs/dbraw/zinc/05/82/49/136058249.db2.gz JQLLBFCKRSYKBM-UHFFFAOYSA-N 1 0 235.309 -1.561 20 0 BAADRO CNC(=O)C1C[NH+](C[C@@H](O)COC)C1 ZINC000348288127 136061986 /nfs/dbraw/zinc/06/19/86/136061986.db2.gz LNIYMGLPZQIUFB-MRVPVSSYSA-N 1 0 202.254 -1.329 20 0 BAADRO CNC(=O)C1C[NH+](C[C@H](O)COC)C1 ZINC000348288128 136061750 /nfs/dbraw/zinc/06/17/50/136061750.db2.gz LNIYMGLPZQIUFB-QMMMGPOBSA-N 1 0 202.254 -1.329 20 0 BAADRO C[NH+](C)CCN1CCN(C(=O)CO)CC1 ZINC000348407929 535876112 /nfs/dbraw/zinc/87/61/12/535876112.db2.gz XJSRCGYZJHDOEY-UHFFFAOYSA-N 1 0 215.297 -1.316 20 0 BAADRO O=C(CCOC1C[NH2+]C1)N1CCO[C@H](CO)C1 ZINC000348958820 136310429 /nfs/dbraw/zinc/31/04/29/136310429.db2.gz VAWXMZSQOUVBQK-JTQLQIEISA-N 1 0 244.291 -1.415 20 0 BAADRO O=C(CCOC1C[NH2+]C1)N1CCO[C@@H](CO)C1 ZINC000348958825 136310343 /nfs/dbraw/zinc/31/03/43/136310343.db2.gz VAWXMZSQOUVBQK-SNVBAGLBSA-N 1 0 244.291 -1.415 20 0 BAADRO CC(C)[C@H](NC(=O)CCOC1C[NH2+]C1)C(N)=O ZINC000348987309 355336551 /nfs/dbraw/zinc/33/65/51/355336551.db2.gz FHVHANSKRJZSIA-JTQLQIEISA-N 1 0 243.307 -1.009 20 0 BAADRO CC(C)[C@@H](NC(=O)CCOC1C[NH2+]C1)C(N)=O ZINC000348987310 136742311 /nfs/dbraw/zinc/74/23/11/136742311.db2.gz FHVHANSKRJZSIA-SNVBAGLBSA-N 1 0 243.307 -1.009 20 0 BAADRO CN(C)C(=O)CN(C)C(=O)CCOC1C[NH2+]C1 ZINC000348987717 355336646 /nfs/dbraw/zinc/33/66/46/355336646.db2.gz GDYLBNKJQSUHGR-UHFFFAOYSA-N 1 0 243.307 -1.089 20 0 BAADRO CN1CC[C@@H](NC(=O)CCOC2C[NH2+]C2)C1=O ZINC000348988635 355336705 /nfs/dbraw/zinc/33/67/05/355336705.db2.gz BOCKIDMTJUOAHG-SECBINFHSA-N 1 0 241.291 -1.288 20 0 BAADRO CN1CC[C@H](NC(=O)CCOC2C[NH2+]C2)C1=O ZINC000348988643 355336725 /nfs/dbraw/zinc/33/67/25/355336725.db2.gz BOCKIDMTJUOAHG-VIFPVBQESA-N 1 0 241.291 -1.288 20 0 BAADRO O=C(CCOC1C[NH2+]C1)N[C@@H]1CCCNC1=O ZINC000348993226 136314328 /nfs/dbraw/zinc/31/43/28/136314328.db2.gz JRIQUNDLSMDTBT-SECBINFHSA-N 1 0 241.291 -1.240 20 0 BAADRO O=C(CCOC1C[NH2+]C1)N[C@H]1CCCNC1=O ZINC000348993228 136314342 /nfs/dbraw/zinc/31/43/42/136314342.db2.gz JRIQUNDLSMDTBT-VIFPVBQESA-N 1 0 241.291 -1.240 20 0 BAADRO NC(=O)[C@H]1CCCN1C(=O)CCOC1C[NH2+]C1 ZINC000348994928 136314134 /nfs/dbraw/zinc/31/41/34/136314134.db2.gz UGNLDNAAALKTKO-SECBINFHSA-N 1 0 241.291 -1.159 20 0 BAADRO NC(=O)[C@@H]1CCCN1C(=O)CCOC1C[NH2+]C1 ZINC000348994929 136314052 /nfs/dbraw/zinc/31/40/52/136314052.db2.gz UGNLDNAAALKTKO-VIFPVBQESA-N 1 0 241.291 -1.159 20 0 BAADRO CN1C[C@H](NC(=O)CCOC2C[NH2+]C2)CC1=O ZINC000349000997 536489180 /nfs/dbraw/zinc/48/91/80/536489180.db2.gz NTNKQFFOQPYQIY-MRVPVSSYSA-N 1 0 241.291 -1.288 20 0 BAADRO CN1C[C@@H](NC(=O)CCOC2C[NH2+]C2)CC1=O ZINC000349000998 136314922 /nfs/dbraw/zinc/31/49/22/136314922.db2.gz NTNKQFFOQPYQIY-QMMMGPOBSA-N 1 0 241.291 -1.288 20 0 BAADRO NC(=O)CCCNC(=O)CCOC1C[NH2+]C1 ZINC000349006144 136315860 /nfs/dbraw/zinc/31/58/60/136315860.db2.gz SXXQZVCSHPJQOT-UHFFFAOYSA-N 1 0 229.280 -1.253 20 0 BAADRO CCNC(=O)CNC(=O)CCOC1C[NH2+]C1 ZINC000349007900 136316632 /nfs/dbraw/zinc/31/66/32/136316632.db2.gz VLVGZCZKZMJETG-UHFFFAOYSA-N 1 0 229.280 -1.383 20 0 BAADRO CC(C)(NC(=O)CCOC1C[NH2+]C1)C(N)=O ZINC000349009557 136310921 /nfs/dbraw/zinc/31/09/21/136310921.db2.gz XIAJHVNHGFJEIR-UHFFFAOYSA-N 1 0 229.280 -1.255 20 0 BAADRO CN(C)C(=O)CCNC(=O)CCOC1C[NH2+]C1 ZINC000349025579 136318407 /nfs/dbraw/zinc/31/84/07/136318407.db2.gz HYVCIQVZXPNMID-UHFFFAOYSA-N 1 0 243.307 -1.041 20 0 BAADRO O=C(CCOC1C[NH2+]C1)N1CCNC(=O)C1 ZINC000349027118 136318572 /nfs/dbraw/zinc/31/85/72/136318572.db2.gz LONIRGPQHAFCQV-UHFFFAOYSA-N 1 0 227.264 -1.677 20 0 BAADRO C[C@@H]1C(=O)NCCN1C(=O)CCOC1C[NH2+]C1 ZINC000349029566 136319326 /nfs/dbraw/zinc/31/93/26/136319326.db2.gz QSLDOUATPVLKBW-MRVPVSSYSA-N 1 0 241.291 -1.288 20 0 BAADRO C[C@H]1C(=O)NCCN1C(=O)CCOC1C[NH2+]C1 ZINC000349029567 136319673 /nfs/dbraw/zinc/31/96/73/136319673.db2.gz QSLDOUATPVLKBW-QMMMGPOBSA-N 1 0 241.291 -1.288 20 0 BAADRO O=C(CCOC1C[NH2+]C1)NC[C@H]1COCCO1 ZINC000349031769 136319714 /nfs/dbraw/zinc/31/97/14/136319714.db2.gz VTPBQXLCEPCJNS-JTQLQIEISA-N 1 0 244.291 -1.104 20 0 BAADRO O=C(CCOC1C[NH2+]C1)NC[C@@H]1COCCO1 ZINC000349031773 136320103 /nfs/dbraw/zinc/32/01/03/136320103.db2.gz VTPBQXLCEPCJNS-SNVBAGLBSA-N 1 0 244.291 -1.104 20 0 BAADRO O=C(CCOC1C[NH2+]C1)NCC(=O)NC1CC1 ZINC000349046668 136320963 /nfs/dbraw/zinc/32/09/63/136320963.db2.gz FRHYIEQKQBWBSA-UHFFFAOYSA-N 1 0 241.291 -1.240 20 0 BAADRO CN(C)C(=O)CNC(=O)CCOC1C[NH2+]C1 ZINC000349046672 136321129 /nfs/dbraw/zinc/32/11/29/136321129.db2.gz FSMAZEDCHCGKGD-UHFFFAOYSA-N 1 0 229.280 -1.431 20 0 BAADRO CNC(=O)CCN(C)C(=O)CCOC1C[NH2+]C1 ZINC000349046749 136321123 /nfs/dbraw/zinc/32/11/23/136321123.db2.gz GLVWMTXADPUTKN-UHFFFAOYSA-N 1 0 243.307 -1.041 20 0 BAADRO CNC(=O)CCNC(=O)CCOC1C[NH2+]C1 ZINC000349047401 536490413 /nfs/dbraw/zinc/49/04/13/536490413.db2.gz GMZJLVURAPIKDP-UHFFFAOYSA-N 1 0 229.280 -1.383 20 0 BAADRO CC(=O)NCCNC(=O)CCOC1C[NH2+]C1 ZINC000349052017 136320930 /nfs/dbraw/zinc/32/09/30/136320930.db2.gz KUKYFBACHRXFSU-UHFFFAOYSA-N 1 0 229.280 -1.383 20 0 BAADRO CC(C)(CNC(=O)CCOC1C[NH2+]C1)C(N)=O ZINC000349060805 535098478 /nfs/dbraw/zinc/09/84/78/535098478.db2.gz VZCWPQMGDPGXMO-UHFFFAOYSA-N 1 0 243.307 -1.007 20 0 BAADRO COCC[NH2+]CCNC(=O)CC(=O)N(C)C ZINC000349206503 136331773 /nfs/dbraw/zinc/33/17/73/136331773.db2.gz CGQFCAZZXWSHCO-UHFFFAOYSA-N 1 0 231.296 -1.183 20 0 BAADRO COCC[NH2+]CCNC(=O)C(=O)NC1CC1 ZINC000349211326 136331941 /nfs/dbraw/zinc/33/19/41/136331941.db2.gz XHWAEWWCRDBICN-UHFFFAOYSA-N 1 0 229.280 -1.383 20 0 BAADRO COCC[NH2+]CCNC(=O)[C@@H](C)NC(C)=O ZINC000349245170 136332577 /nfs/dbraw/zinc/33/25/77/136332577.db2.gz GCOOVADOEZYPTJ-MRVPVSSYSA-N 1 0 231.296 -1.137 20 0 BAADRO COCC[NH2+]CCNC(=O)[C@H](C)NC(C)=O ZINC000349245171 136332795 /nfs/dbraw/zinc/33/27/95/136332795.db2.gz GCOOVADOEZYPTJ-QMMMGPOBSA-N 1 0 231.296 -1.137 20 0 BAADRO COCC[NH2+]CCNC(=O)CN(C)C(C)=O ZINC000349247598 136333156 /nfs/dbraw/zinc/33/31/56/136333156.db2.gz PRQUIGRMSXGZLE-UHFFFAOYSA-N 1 0 231.296 -1.183 20 0 BAADRO C[C@H](CO)[N@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000349313027 136340864 /nfs/dbraw/zinc/34/08/64/136340864.db2.gz GCVSRLZPBGWOPI-MRVPVSSYSA-N 1 0 241.291 -1.103 20 0 BAADRO C[C@@H](CO)[N@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000349313028 136340881 /nfs/dbraw/zinc/34/08/81/136340881.db2.gz GCVSRLZPBGWOPI-QMMMGPOBSA-N 1 0 241.291 -1.103 20 0 BAADRO CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C)NC1=O ZINC000349664715 355404841 /nfs/dbraw/zinc/40/48/41/355404841.db2.gz HPRHJTURVBKWPI-MRVPVSSYSA-N 1 0 228.296 -1.212 20 0 BAADRO CC(C)[N@H+](C)CC(=O)N[C@H]1CN(C)NC1=O ZINC000349664716 355404440 /nfs/dbraw/zinc/40/44/40/355404440.db2.gz HPRHJTURVBKWPI-QMMMGPOBSA-N 1 0 228.296 -1.212 20 0 BAADRO CCN1CCO[C@@H](C(=O)N2CC(=O)N(C)C2)C1 ZINC000349669729 355407700 /nfs/dbraw/zinc/40/77/00/355407700.db2.gz QTNWPAYANGFSBG-SECBINFHSA-N 1 0 241.291 -1.035 20 0 BAADRO CCN1CCO[C@H](C(=O)N2CC(=O)N(C)C2)C1 ZINC000349669731 355407595 /nfs/dbraw/zinc/40/75/95/355407595.db2.gz QTNWPAYANGFSBG-VIFPVBQESA-N 1 0 241.291 -1.035 20 0 BAADRO C[NH+](C)CCOCCNC(=O)[C@H]1CCC(=O)N1 ZINC000349723128 535900056 /nfs/dbraw/zinc/90/00/56/535900056.db2.gz NPJIGXLIIMGHGD-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO C[NH+](C)CCOCCNC(=O)[C@@H]1CCC(=O)N1 ZINC000349723129 355419611 /nfs/dbraw/zinc/41/96/11/355419611.db2.gz NPJIGXLIIMGHGD-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO C[NH+](C)CCOCCNC(=O)Cn1cnnn1 ZINC000349727175 355420275 /nfs/dbraw/zinc/42/02/75/355420275.db2.gz MSDLMPKZXJNLPM-UHFFFAOYSA-N 1 0 242.283 -1.633 20 0 BAADRO CC(=O)NCC(=O)NCCOCC[NH+](C)C ZINC000349748336 355421964 /nfs/dbraw/zinc/42/19/64/355421964.db2.gz UNCSCLLMIWNVOA-UHFFFAOYSA-N 1 0 231.296 -1.183 20 0 BAADRO COC(=O)CNC(=O)CN1C[C@H](O)C[C@H]1C ZINC000349873952 355514524 /nfs/dbraw/zinc/51/45/24/355514524.db2.gz FFBVPRADBOGZPB-HTQZYQBOSA-N 1 0 230.264 -1.269 20 0 BAADRO COC(=O)CNC(=O)CN1C[C@H](O)C[C@@H]1C ZINC000349873953 355514489 /nfs/dbraw/zinc/51/44/89/355514489.db2.gz FFBVPRADBOGZPB-JGVFFNPUSA-N 1 0 230.264 -1.269 20 0 BAADRO COC(=O)CNC(=O)CN1C[C@@H](O)C[C@H]1C ZINC000349873954 355514978 /nfs/dbraw/zinc/51/49/78/355514978.db2.gz FFBVPRADBOGZPB-SFYZADRCSA-N 1 0 230.264 -1.269 20 0 BAADRO COC(=O)CNC(=O)CN1C[C@@H](O)C[C@@H]1C ZINC000349873955 355514590 /nfs/dbraw/zinc/51/45/90/355514590.db2.gz FFBVPRADBOGZPB-YUMQZZPRSA-N 1 0 230.264 -1.269 20 0 BAADRO COCC[N@@H+]1CC[C@@H](NC(=O)NCCO)C1 ZINC000349933056 355531045 /nfs/dbraw/zinc/53/10/45/355531045.db2.gz KMRSLLUUUQJQPZ-SECBINFHSA-N 1 0 231.296 -1.001 20 0 BAADRO COCC[N@@H+]1CC[C@H](NC(=O)NCCO)C1 ZINC000349933068 355530432 /nfs/dbraw/zinc/53/04/32/355530432.db2.gz KMRSLLUUUQJQPZ-VIFPVBQESA-N 1 0 231.296 -1.001 20 0 BAADRO C[N@H+](CCCCO)CC(=O)N1CCNC(=O)C1 ZINC000349938205 355531522 /nfs/dbraw/zinc/53/15/22/355531522.db2.gz WVIJGFAFFTYBBW-UHFFFAOYSA-N 1 0 243.307 -1.351 20 0 BAADRO C[C@H](CC[NH3+])NC(=O)CN1CCCS1(=O)=O ZINC000349941323 355532943 /nfs/dbraw/zinc/53/29/43/355532943.db2.gz WTVUGNQLAWNSAW-MRVPVSSYSA-N 1 0 249.336 -1.125 20 0 BAADRO C[C@@H](CC[NH3+])NC(=O)CN1CCCS1(=O)=O ZINC000349941324 355532837 /nfs/dbraw/zinc/53/28/37/355532837.db2.gz WTVUGNQLAWNSAW-QMMMGPOBSA-N 1 0 249.336 -1.125 20 0 BAADRO COC(=O)CNC(=O)C[N@H+](C)CCCCO ZINC000349956504 355536435 /nfs/dbraw/zinc/53/64/35/355536435.db2.gz WBZNJYMHPZVLQN-UHFFFAOYSA-N 1 0 232.280 -1.020 20 0 BAADRO CN(CC(N)=O)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351391919 136245651 /nfs/dbraw/zinc/24/56/51/136245651.db2.gz XTXJRNFKGNZMEX-SECBINFHSA-N 1 0 215.297 -1.141 20 0 BAADRO CN(CC(N)=O)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351391923 136245687 /nfs/dbraw/zinc/24/56/87/136245687.db2.gz XTXJRNFKGNZMEX-VIFPVBQESA-N 1 0 215.297 -1.141 20 0 BAADRO COCCN(C)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351554708 356015703 /nfs/dbraw/zinc/01/57/03/356015703.db2.gz DPQAIXJOLLOOCU-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO COCCN(C)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351554709 356016077 /nfs/dbraw/zinc/01/60/77/356016077.db2.gz DPQAIXJOLLOOCU-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO C[C@@H](O)CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351559159 356016651 /nfs/dbraw/zinc/01/66/51/356016651.db2.gz UIMBBDMJGBQYTO-BDAKNGLRSA-N 1 0 243.307 -1.258 20 0 BAADRO C[C@H](O)CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351559163 356016510 /nfs/dbraw/zinc/01/65/10/356016510.db2.gz UIMBBDMJGBQYTO-DTWKUNHWSA-N 1 0 243.307 -1.258 20 0 BAADRO C[C@H](O)CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351559164 356016476 /nfs/dbraw/zinc/01/64/76/356016476.db2.gz UIMBBDMJGBQYTO-IUCAKERBSA-N 1 0 243.307 -1.258 20 0 BAADRO C[C@@H](O)CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351559165 356016817 /nfs/dbraw/zinc/01/68/17/356016817.db2.gz UIMBBDMJGBQYTO-RKDXNWHRSA-N 1 0 243.307 -1.258 20 0 BAADRO C[N@H+](C[C@H](O)CN1C[C@H](O)C[C@H]1CO)C1CC1 ZINC000351581165 356021016 /nfs/dbraw/zinc/02/10/16/356021016.db2.gz MYSWOEWHJVIGST-TUAOUCFPSA-N 1 0 244.335 -1.131 20 0 BAADRO CCOC(=O)COCC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000351581625 136369588 /nfs/dbraw/zinc/36/95/88/136369588.db2.gz OCUPXAPCWJQDOQ-NXEZZACHSA-N 1 0 247.291 -1.006 20 0 BAADRO CCOC(=O)COCC[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000351581632 356020992 /nfs/dbraw/zinc/02/09/92/356020992.db2.gz OCUPXAPCWJQDOQ-UWVGGRQHSA-N 1 0 247.291 -1.006 20 0 BAADRO CCOC(=O)COCC[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000351581634 136369180 /nfs/dbraw/zinc/36/91/80/136369180.db2.gz OCUPXAPCWJQDOQ-VHSXEESVSA-N 1 0 247.291 -1.006 20 0 BAADRO CCOC(=O)COCC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000351581635 136369613 /nfs/dbraw/zinc/36/96/13/136369613.db2.gz OCUPXAPCWJQDOQ-ZJUUUORDSA-N 1 0 247.291 -1.006 20 0 BAADRO CCN(C)C(=O)CC[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000351616715 356029509 /nfs/dbraw/zinc/02/95/09/356029509.db2.gz UQLPUJADOIMWPO-LLVKDONJSA-N 1 0 243.307 -1.223 20 0 BAADRO CCN(C)C(=O)CC[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000351616716 356029884 /nfs/dbraw/zinc/02/98/84/356029884.db2.gz UQLPUJADOIMWPO-NSHDSACASA-N 1 0 243.307 -1.223 20 0 BAADRO C[N@@H+]1CCCN(Cc2nc(N)nc(N)n2)CC1 ZINC000351641500 356041028 /nfs/dbraw/zinc/04/10/28/356041028.db2.gz NFODHKNXQMGBPP-UHFFFAOYSA-N 1 0 237.311 -1.166 20 0 BAADRO C[C@@H](O)CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000351712925 353174415 /nfs/dbraw/zinc/17/44/15/353174415.db2.gz GJFWXGVWKTUIFU-NXEZZACHSA-N 1 0 227.308 -1.127 20 0 BAADRO C[C@H](O)CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000351712932 353174583 /nfs/dbraw/zinc/17/45/83/353174583.db2.gz GJFWXGVWKTUIFU-UWVGGRQHSA-N 1 0 227.308 -1.127 20 0 BAADRO C[C@H](O)CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000351712934 353174611 /nfs/dbraw/zinc/17/46/11/353174611.db2.gz GJFWXGVWKTUIFU-VHSXEESVSA-N 1 0 227.308 -1.127 20 0 BAADRO C[C@@H](O)CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000351712936 353174577 /nfs/dbraw/zinc/17/45/77/353174577.db2.gz GJFWXGVWKTUIFU-ZJUUUORDSA-N 1 0 227.308 -1.127 20 0 BAADRO C[C@H](CNC(=O)Cn1ncn(C)c1=O)[NH+](C)C ZINC000351721833 133982776 /nfs/dbraw/zinc/98/27/76/133982776.db2.gz RXJZNKJLPOIHOM-MRVPVSSYSA-N 1 0 241.295 -1.352 20 0 BAADRO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[NH+](C)C ZINC000351721834 356071689 /nfs/dbraw/zinc/07/16/89/356071689.db2.gz RXJZNKJLPOIHOM-QMMMGPOBSA-N 1 0 241.295 -1.352 20 0 BAADRO C[C@@H]1CN(CC(=O)N2CCNC(=O)C2)C[C@@H]1O ZINC000351772871 356083854 /nfs/dbraw/zinc/08/38/54/356083854.db2.gz ABJSVNUEJLJPML-BDAKNGLRSA-N 1 0 241.291 -1.743 20 0 BAADRO C[C@H]1CN(CC(=O)N2CCNC(=O)C2)C[C@H]1O ZINC000351772872 356083938 /nfs/dbraw/zinc/08/39/38/356083938.db2.gz ABJSVNUEJLJPML-DTWKUNHWSA-N 1 0 241.291 -1.743 20 0 BAADRO C[C@H]1CN(CC(=O)N2CCNC(=O)C2)C[C@@H]1O ZINC000351772873 356083505 /nfs/dbraw/zinc/08/35/05/356083505.db2.gz ABJSVNUEJLJPML-IUCAKERBSA-N 1 0 241.291 -1.743 20 0 BAADRO C[C@@H]1CN(CC(=O)N2CCNC(=O)C2)C[C@H]1O ZINC000351772874 356083567 /nfs/dbraw/zinc/08/35/67/356083567.db2.gz ABJSVNUEJLJPML-RKDXNWHRSA-N 1 0 241.291 -1.743 20 0 BAADRO C[C@H]1C[N@H+](CCC(=O)NC(N)=O)C[C@@H]1O ZINC000351773097 177246999 /nfs/dbraw/zinc/24/69/99/177246999.db2.gz BXUJCZSHGFZQHT-BQBZGAKWSA-N 1 0 215.253 -1.116 20 0 BAADRO C[C@H]1C[N@H+](CCC(=O)NC(N)=O)C[C@H]1O ZINC000351773098 177246616 /nfs/dbraw/zinc/24/66/16/177246616.db2.gz BXUJCZSHGFZQHT-NKWVEPMBSA-N 1 0 215.253 -1.116 20 0 BAADRO C[C@@H]1C[N@H+](CCC(=O)NC(N)=O)C[C@H]1O ZINC000351773099 176286054 /nfs/dbraw/zinc/28/60/54/176286054.db2.gz BXUJCZSHGFZQHT-RNFRBKRXSA-N 1 0 215.253 -1.116 20 0 BAADRO C[C@@H]1C[N@H+](CCC(=O)NC(N)=O)C[C@@H]1O ZINC000351773100 176286831 /nfs/dbraw/zinc/28/68/31/176286831.db2.gz BXUJCZSHGFZQHT-RQJHMYQMSA-N 1 0 215.253 -1.116 20 0 BAADRO C[C@@H]1C[N@H+](CC(=O)N2CCNC2=O)C[C@H]1O ZINC000351775229 344824128 /nfs/dbraw/zinc/82/41/28/344824128.db2.gz SAPCXGPQNPZSRR-HTQZYQBOSA-N 1 0 227.264 -1.149 20 0 BAADRO C[C@H]1C[N@H+](CC(=O)N2CCNC2=O)C[C@H]1O ZINC000351775230 177244333 /nfs/dbraw/zinc/24/43/33/177244333.db2.gz SAPCXGPQNPZSRR-JGVFFNPUSA-N 1 0 227.264 -1.149 20 0 BAADRO C[C@@H]1C[N@H+](CC(=O)N2CCNC2=O)C[C@@H]1O ZINC000351775231 176283422 /nfs/dbraw/zinc/28/34/22/176283422.db2.gz SAPCXGPQNPZSRR-SFYZADRCSA-N 1 0 227.264 -1.149 20 0 BAADRO C[C@H]1C[N@H+](CC(=O)N2CCNC2=O)C[C@@H]1O ZINC000351775232 177243224 /nfs/dbraw/zinc/24/32/24/177243224.db2.gz SAPCXGPQNPZSRR-YUMQZZPRSA-N 1 0 227.264 -1.149 20 0 BAADRO C[C@@H]1C[N@H+](C[C@@H](O)CN2CCOCC2)C[C@H]1O ZINC000351785241 176296027 /nfs/dbraw/zinc/29/60/27/176296027.db2.gz VTFSJLUVKVHXDR-GRYCIOLGSA-N 1 0 244.335 -1.008 20 0 BAADRO C[C@@H]1C[N@H+](C[C@H](O)CN2CCOCC2)C[C@H]1O ZINC000351785242 176298885 /nfs/dbraw/zinc/29/88/85/176298885.db2.gz VTFSJLUVKVHXDR-IJLUTSLNSA-N 1 0 244.335 -1.008 20 0 BAADRO C[C@@H]1C[N@H+](C[C@H](O)CN2CCOCC2)C[C@@H]1O ZINC000351785243 176298400 /nfs/dbraw/zinc/29/84/00/176298400.db2.gz VTFSJLUVKVHXDR-UTUOFQBUSA-N 1 0 244.335 -1.008 20 0 BAADRO C[C@@H]1C[N@H+](C[C@@H](O)CN2CCOCC2)C[C@@H]1O ZINC000351785244 176295892 /nfs/dbraw/zinc/29/58/92/176295892.db2.gz VTFSJLUVKVHXDR-WOPDTQHZSA-N 1 0 244.335 -1.008 20 0 BAADRO C[C@@H]1C[N@H+](CCCS(N)(=O)=O)C[C@H]1O ZINC000351785805 136370402 /nfs/dbraw/zinc/37/04/02/136370402.db2.gz WIYAUAZHYLTNFG-HTQZYQBOSA-N 1 0 222.310 -1.022 20 0 BAADRO C[C@H]1C[N@H+](CCCS(N)(=O)=O)C[C@H]1O ZINC000351785806 136370332 /nfs/dbraw/zinc/37/03/32/136370332.db2.gz WIYAUAZHYLTNFG-JGVFFNPUSA-N 1 0 222.310 -1.022 20 0 BAADRO C[C@@H]1C[N@H+](CCCS(N)(=O)=O)C[C@@H]1O ZINC000351785807 136370613 /nfs/dbraw/zinc/37/06/13/136370613.db2.gz WIYAUAZHYLTNFG-SFYZADRCSA-N 1 0 222.310 -1.022 20 0 BAADRO C[C@H]1C[N@H+](CCCS(N)(=O)=O)C[C@@H]1O ZINC000351785808 136370539 /nfs/dbraw/zinc/37/05/39/136370539.db2.gz WIYAUAZHYLTNFG-YUMQZZPRSA-N 1 0 222.310 -1.022 20 0 BAADRO C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC000351787029 356085495 /nfs/dbraw/zinc/08/54/95/356085495.db2.gz YOEARLOSJPKJHV-HTQZYQBOSA-N 1 0 222.310 -1.152 20 0 BAADRO C[C@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC000351787030 356085812 /nfs/dbraw/zinc/08/58/12/356085812.db2.gz YOEARLOSJPKJHV-JGVFFNPUSA-N 1 0 222.310 -1.152 20 0 BAADRO C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC000351787031 356085795 /nfs/dbraw/zinc/08/57/95/356085795.db2.gz YOEARLOSJPKJHV-SFYZADRCSA-N 1 0 222.310 -1.152 20 0 BAADRO C[C@H]1C[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC000351787032 356085633 /nfs/dbraw/zinc/08/56/33/356085633.db2.gz YOEARLOSJPKJHV-YUMQZZPRSA-N 1 0 222.310 -1.152 20 0 BAADRO CNC(=O)NC(=O)C[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351812171 173287150 /nfs/dbraw/zinc/28/71/50/173287150.db2.gz OZYSQTDHYDEWMJ-BQBZGAKWSA-N 1 0 215.253 -1.245 20 0 BAADRO CNC(=O)NC(=O)C[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000351812177 173286902 /nfs/dbraw/zinc/28/69/02/173286902.db2.gz OZYSQTDHYDEWMJ-NKWVEPMBSA-N 1 0 215.253 -1.245 20 0 BAADRO COC(=O)CCNC(=O)C[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351817036 536457929 /nfs/dbraw/zinc/45/79/29/536457929.db2.gz UANAYBFGKUIEPC-BDAKNGLRSA-N 1 0 244.291 -1.022 20 0 BAADRO COC(=O)CCNC(=O)C[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000351817037 136255017 /nfs/dbraw/zinc/25/50/17/136255017.db2.gz UANAYBFGKUIEPC-DTWKUNHWSA-N 1 0 244.291 -1.022 20 0 BAADRO COC(=O)CCNC(=O)C[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351817038 136255163 /nfs/dbraw/zinc/25/51/63/136255163.db2.gz UANAYBFGKUIEPC-IUCAKERBSA-N 1 0 244.291 -1.022 20 0 BAADRO COC(=O)CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351817039 536457282 /nfs/dbraw/zinc/45/72/82/536457282.db2.gz UANAYBFGKUIEPC-RKDXNWHRSA-N 1 0 244.291 -1.022 20 0 BAADRO COC(=O)CNC(=O)[C@H](C)[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351818761 136255860 /nfs/dbraw/zinc/25/58/60/136255860.db2.gz IEWXJHBACQWUMI-CIUDSAMLSA-N 1 0 244.291 -1.023 20 0 BAADRO COC(=O)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351818762 136255987 /nfs/dbraw/zinc/25/59/87/136255987.db2.gz IEWXJHBACQWUMI-HRDYMLBCSA-N 1 0 244.291 -1.023 20 0 BAADRO COC(=O)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351818763 136255572 /nfs/dbraw/zinc/25/55/72/136255572.db2.gz IEWXJHBACQWUMI-VGMNWLOBSA-N 1 0 244.291 -1.023 20 0 BAADRO COC(=O)CNC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000351818764 136255700 /nfs/dbraw/zinc/25/57/00/136255700.db2.gz IEWXJHBACQWUMI-XHNCKOQMSA-N 1 0 244.291 -1.023 20 0 BAADRO COC(=O)CNC(=O)CC[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351823371 356090484 /nfs/dbraw/zinc/09/04/84/356090484.db2.gz MDLBLKZDUXEPMM-BDAKNGLRSA-N 1 0 244.291 -1.022 20 0 BAADRO COC(=O)CNC(=O)CC[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000351823372 356090856 /nfs/dbraw/zinc/09/08/56/356090856.db2.gz MDLBLKZDUXEPMM-DTWKUNHWSA-N 1 0 244.291 -1.022 20 0 BAADRO COC(=O)CNC(=O)CC[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351823373 356090309 /nfs/dbraw/zinc/09/03/09/356090309.db2.gz MDLBLKZDUXEPMM-IUCAKERBSA-N 1 0 244.291 -1.022 20 0 BAADRO COC(=O)CNC(=O)CC[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351823374 356090739 /nfs/dbraw/zinc/09/07/39/356090739.db2.gz MDLBLKZDUXEPMM-RKDXNWHRSA-N 1 0 244.291 -1.022 20 0 BAADRO COC[C@@H](NC(=O)C[NH+](C)C)C(=O)OC ZINC000351850507 536687315 /nfs/dbraw/zinc/68/73/15/536687315.db2.gz SXRGMSRFCMNEKX-SSDOTTSWSA-N 1 0 218.253 -1.148 20 0 BAADRO COC[C@H](NC(=O)C[NH+](C)C)C(=O)OC ZINC000351851044 536866965 /nfs/dbraw/zinc/86/69/65/536866965.db2.gz SXRGMSRFCMNEKX-ZETCQYMHSA-N 1 0 218.253 -1.148 20 0 BAADRO CNS(=O)(=O)NCC1(O)CC[NH+](C)CC1 ZINC000351929257 388535168 /nfs/dbraw/zinc/53/51/68/388535168.db2.gz XYTNYJGLEBAPJO-UHFFFAOYSA-N 1 0 237.325 -1.503 20 0 BAADRO C[C@@H](O)C[N@H+](CCO)CCCC(=O)NC(N)=O ZINC000351940094 134015016 /nfs/dbraw/zinc/01/50/16/134015016.db2.gz ZFTCVVDEMQFIBE-MRVPVSSYSA-N 1 0 247.295 -1.363 20 0 BAADRO C[C@H](O)C[N@H+](CCO)CCCC(=O)NC(N)=O ZINC000351940095 134014750 /nfs/dbraw/zinc/01/47/50/134014750.db2.gz ZFTCVVDEMQFIBE-QMMMGPOBSA-N 1 0 247.295 -1.363 20 0 BAADRO CCOC(=O)[C@](C)(O)C[N@H+](CCO)C[C@H](C)O ZINC000351949454 134015998 /nfs/dbraw/zinc/01/59/98/134015998.db2.gz PLNVJKIWRSVHDZ-GXSJLCMTSA-N 1 0 249.307 -1.024 20 0 BAADRO CCOC(=O)[C@@](C)(O)C[N@H+](CCO)C[C@@H](C)O ZINC000351949455 134015720 /nfs/dbraw/zinc/01/57/20/134015720.db2.gz PLNVJKIWRSVHDZ-KOLCDFICSA-N 1 0 249.307 -1.024 20 0 BAADRO CCOC(=O)[C@](C)(O)C[N@H+](CCO)C[C@@H](C)O ZINC000351949456 134016203 /nfs/dbraw/zinc/01/62/03/134016203.db2.gz PLNVJKIWRSVHDZ-MWLCHTKSSA-N 1 0 249.307 -1.024 20 0 BAADRO CCOC(=O)[C@@](C)(O)C[N@H+](CCO)C[C@H](C)O ZINC000351949457 134015889 /nfs/dbraw/zinc/01/58/89/134015889.db2.gz PLNVJKIWRSVHDZ-ONGXEEELSA-N 1 0 249.307 -1.024 20 0 BAADRO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351951810 384278046 /nfs/dbraw/zinc/27/80/46/384278046.db2.gz OCPHZVLTHZIXQK-DSYKOEDSSA-N 1 0 215.253 -1.118 20 0 BAADRO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351951811 176316550 /nfs/dbraw/zinc/31/65/50/176316550.db2.gz OCPHZVLTHZIXQK-FSDSQADBSA-N 1 0 215.253 -1.118 20 0 BAADRO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351951812 176317318 /nfs/dbraw/zinc/31/73/18/176317318.db2.gz OCPHZVLTHZIXQK-QYNIQEEDSA-N 1 0 215.253 -1.118 20 0 BAADRO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351951813 134016352 /nfs/dbraw/zinc/01/63/52/134016352.db2.gz OCPHZVLTHZIXQK-VQVTYTSYSA-N 1 0 215.253 -1.118 20 0 BAADRO CCN1CCO[C@@H](C(=O)NCCC(=O)NC)C1 ZINC000351964017 134024473 /nfs/dbraw/zinc/02/44/73/134024473.db2.gz KJIYNQJTBSQJCU-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO CC[N@H+](CCO)CCNS(=O)(=O)NC ZINC000352141185 134081897 /nfs/dbraw/zinc/08/18/97/134081897.db2.gz ANRWRRHEKUCNDA-UHFFFAOYSA-N 1 0 225.314 -1.646 20 0 BAADRO CNS(=O)(=O)NCCN1CC[NH+](C)CC1 ZINC000352141261 134081958 /nfs/dbraw/zinc/08/19/58/134081958.db2.gz BRAHKWGJVGQBKG-UHFFFAOYSA-N 1 0 236.341 -1.712 20 0 BAADRO CNS(=O)(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000352151255 134082852 /nfs/dbraw/zinc/08/28/52/134082852.db2.gz PGICYCKNOOYLPB-SSDOTTSWSA-N 1 0 223.298 -1.893 20 0 BAADRO CNS(=O)(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000352151256 536301518 /nfs/dbraw/zinc/30/15/18/536301518.db2.gz PGICYCKNOOYLPB-ZETCQYMHSA-N 1 0 223.298 -1.893 20 0 BAADRO CNS(=O)(=O)NCC[N@H+](C)CCOC ZINC000352151966 134083121 /nfs/dbraw/zinc/08/31/21/134083121.db2.gz XNMXMFAHDYAQLA-UHFFFAOYSA-N 1 0 225.314 -1.382 20 0 BAADRO CC[N@@H+](CC(=O)NC(N)=O)C[C@H](C)O ZINC000352185871 134099801 /nfs/dbraw/zinc/09/98/01/134099801.db2.gz GZCVGQMQZUFCNE-LURJTMIESA-N 1 0 203.242 -1.116 20 0 BAADRO CC[N@@H+](CC(=O)NC(N)=O)C[C@@H](C)O ZINC000352185872 134099575 /nfs/dbraw/zinc/09/95/75/134099575.db2.gz GZCVGQMQZUFCNE-ZCFIWIBFSA-N 1 0 203.242 -1.116 20 0 BAADRO CC[N@@H+](CC(=O)N1CCNC(=O)C1)C[C@@H](C)O ZINC000352203300 134103182 /nfs/dbraw/zinc/10/31/82/134103182.db2.gz QOYVBTYTYHXQPU-SECBINFHSA-N 1 0 243.307 -1.353 20 0 BAADRO CC[N@@H+](CC(=O)N1CCNC(=O)C1)C[C@H](C)O ZINC000352203301 134103069 /nfs/dbraw/zinc/10/30/69/134103069.db2.gz QOYVBTYTYHXQPU-VIFPVBQESA-N 1 0 243.307 -1.353 20 0 BAADRO CC[N@@H+](CC(=O)NCC(=O)OC)C[C@@H](C)O ZINC000352232400 535771579 /nfs/dbraw/zinc/77/15/79/535771579.db2.gz VFIQMDYPMGZLDC-MRVPVSSYSA-N 1 0 232.280 -1.022 20 0 BAADRO CC[N@@H+](CC(=O)NCC(=O)OC)C[C@H](C)O ZINC000352232401 535771368 /nfs/dbraw/zinc/77/13/68/535771368.db2.gz VFIQMDYPMGZLDC-QMMMGPOBSA-N 1 0 232.280 -1.022 20 0 BAADRO COC(=O)CNC(=O)CN(C)CC(=O)N(C)C ZINC000352387739 387141836 /nfs/dbraw/zinc/14/18/36/387141836.db2.gz CRQGONZGVMYMCE-UHFFFAOYSA-N 1 0 245.279 -1.704 20 0 BAADRO COC(=O)CNC(=O)C[N@H+](CCO)CC1CC1 ZINC000352468852 387228641 /nfs/dbraw/zinc/22/86/41/387228641.db2.gz VMASHJFOMRWUOC-UHFFFAOYSA-N 1 0 244.291 -1.020 20 0 BAADRO Nc1nc(N)nc(CN(CCO)CC2CC2)n1 ZINC000352480445 181212029 /nfs/dbraw/zinc/21/20/29/181212029.db2.gz CBGJEZVYYWSXIQ-UHFFFAOYSA-N 1 0 238.295 -1.099 20 0 BAADRO CCOCCNC(=O)CN(C)[C@@H]1COC[C@H]1O ZINC000352795191 387486322 /nfs/dbraw/zinc/48/63/22/387486322.db2.gz CPZOSKWCIOIMRN-NXEZZACHSA-N 1 0 246.307 -1.169 20 0 BAADRO CCOCCNC(=O)CN(C)[C@H]1COC[C@@H]1O ZINC000352795195 387487966 /nfs/dbraw/zinc/48/79/66/387487966.db2.gz CPZOSKWCIOIMRN-UWVGGRQHSA-N 1 0 246.307 -1.169 20 0 BAADRO CCOCCNC(=O)CN(C)[C@H]1COC[C@H]1O ZINC000352795196 387488053 /nfs/dbraw/zinc/48/80/53/387488053.db2.gz CPZOSKWCIOIMRN-VHSXEESVSA-N 1 0 246.307 -1.169 20 0 BAADRO CCOCCNC(=O)CN(C)[C@@H]1COC[C@@H]1O ZINC000352795198 387487621 /nfs/dbraw/zinc/48/76/21/387487621.db2.gz CPZOSKWCIOIMRN-ZJUUUORDSA-N 1 0 246.307 -1.169 20 0 BAADRO C[N@H+](CCOCCO)[C@@H]1COC[C@@H]1O ZINC000352795553 388538194 /nfs/dbraw/zinc/53/81/94/388538194.db2.gz DMPDVOMMADGQLR-BDAKNGLRSA-N 1 0 205.254 -1.313 20 0 BAADRO C[N@H+](CCOCCO)[C@H]1COC[C@H]1O ZINC000352795558 388537973 /nfs/dbraw/zinc/53/79/73/388537973.db2.gz DMPDVOMMADGQLR-DTWKUNHWSA-N 1 0 205.254 -1.313 20 0 BAADRO C[N@H+](CCOCCO)[C@H]1COC[C@@H]1O ZINC000352795559 388539072 /nfs/dbraw/zinc/53/90/72/388539072.db2.gz DMPDVOMMADGQLR-IUCAKERBSA-N 1 0 205.254 -1.313 20 0 BAADRO C[N@H+](CCOCCO)[C@@H]1COC[C@H]1O ZINC000352795560 388538698 /nfs/dbraw/zinc/53/86/98/388538698.db2.gz DMPDVOMMADGQLR-RKDXNWHRSA-N 1 0 205.254 -1.313 20 0 BAADRO C[N@H+](CCCC(=O)NC(N)=O)[C@@H]1COC[C@H]1O ZINC000352801682 387491731 /nfs/dbraw/zinc/49/17/31/387491731.db2.gz KCWDBKPWGVDDCM-HTQZYQBOSA-N 1 0 245.279 -1.347 20 0 BAADRO C[N@H+](CCCC(=O)NC(N)=O)[C@H]1COC[C@H]1O ZINC000352801684 387492147 /nfs/dbraw/zinc/49/21/47/387492147.db2.gz KCWDBKPWGVDDCM-JGVFFNPUSA-N 1 0 245.279 -1.347 20 0 BAADRO C[N@H+](CCCC(=O)NC(N)=O)[C@@H]1COC[C@@H]1O ZINC000352801686 387491566 /nfs/dbraw/zinc/49/15/66/387491566.db2.gz KCWDBKPWGVDDCM-SFYZADRCSA-N 1 0 245.279 -1.347 20 0 BAADRO C[N@H+](CCCC(=O)NC(N)=O)[C@H]1COC[C@@H]1O ZINC000352801688 387491852 /nfs/dbraw/zinc/49/18/52/387491852.db2.gz KCWDBKPWGVDDCM-YUMQZZPRSA-N 1 0 245.279 -1.347 20 0 BAADRO C[N@H+](CCCS(N)(=O)=O)[C@@H]1COC[C@H]1O ZINC000352803903 387493657 /nfs/dbraw/zinc/49/36/57/387493657.db2.gz OTWOSFOPTBHSEL-HTQZYQBOSA-N 1 0 238.309 -1.644 20 0 BAADRO C[N@H+](CCCS(N)(=O)=O)[C@H]1COC[C@H]1O ZINC000352803907 387494654 /nfs/dbraw/zinc/49/46/54/387494654.db2.gz OTWOSFOPTBHSEL-JGVFFNPUSA-N 1 0 238.309 -1.644 20 0 BAADRO C[N@H+](CCCS(N)(=O)=O)[C@@H]1COC[C@@H]1O ZINC000352803908 387493625 /nfs/dbraw/zinc/49/36/25/387493625.db2.gz OTWOSFOPTBHSEL-SFYZADRCSA-N 1 0 238.309 -1.644 20 0 BAADRO C[N@H+](CCCS(N)(=O)=O)[C@H]1COC[C@@H]1O ZINC000352803909 387494299 /nfs/dbraw/zinc/49/42/99/387494299.db2.gz OTWOSFOPTBHSEL-YUMQZZPRSA-N 1 0 238.309 -1.644 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000352913795 386966911 /nfs/dbraw/zinc/96/69/11/386966911.db2.gz LQRMXZOXYNBTDQ-APPZFPTMSA-N 1 0 241.291 -1.160 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000352913805 386966218 /nfs/dbraw/zinc/96/62/18/386966218.db2.gz LQRMXZOXYNBTDQ-CBAPKCEASA-N 1 0 241.291 -1.160 20 0 BAADRO CO[C@H](C[NH3+])C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000352913807 386966557 /nfs/dbraw/zinc/96/65/57/386966557.db2.gz LQRMXZOXYNBTDQ-IONNQARKSA-N 1 0 241.291 -1.160 20 0 BAADRO CO[C@H](C[NH3+])C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000352913809 386966304 /nfs/dbraw/zinc/96/63/04/386966304.db2.gz LQRMXZOXYNBTDQ-VXNVDRBHSA-N 1 0 241.291 -1.160 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)N[C@@H](C(N)=O)C(C)(C)C ZINC000352926218 386968011 /nfs/dbraw/zinc/96/80/11/386968011.db2.gz ZPDNSBRZSKIVOL-BQBZGAKWSA-N 1 0 231.296 -1.024 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)N[C@H](C(N)=O)C(C)(C)C ZINC000352926219 386969429 /nfs/dbraw/zinc/96/94/29/386969429.db2.gz ZPDNSBRZSKIVOL-NKWVEPMBSA-N 1 0 231.296 -1.024 20 0 BAADRO CO[C@H](C[NH3+])C(=O)N[C@H](C(N)=O)C(C)(C)C ZINC000352926223 386967905 /nfs/dbraw/zinc/96/79/05/386967905.db2.gz ZPDNSBRZSKIVOL-RNFRBKRXSA-N 1 0 231.296 -1.024 20 0 BAADRO CO[C@H](C[NH3+])C(=O)N[C@@H](C(N)=O)C(C)(C)C ZINC000352926224 386969409 /nfs/dbraw/zinc/96/94/09/386969409.db2.gz ZPDNSBRZSKIVOL-RQJHMYQMSA-N 1 0 231.296 -1.024 20 0 BAADRO CO[C@H](C[NH3+])C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000352960588 386975363 /nfs/dbraw/zinc/97/53/63/386975363.db2.gz QGROGGXYVCQQLY-SECBINFHSA-N 1 0 241.291 -1.207 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000352960595 386975448 /nfs/dbraw/zinc/97/54/48/386975448.db2.gz QGROGGXYVCQQLY-VIFPVBQESA-N 1 0 241.291 -1.207 20 0 BAADRO COC[C@H]1CN(C(=O)[C@H](C[NH3+])OC)CCO1 ZINC000352969311 386975710 /nfs/dbraw/zinc/97/57/10/386975710.db2.gz YLWXQOOQLRRZGK-BDAKNGLRSA-N 1 0 232.280 -1.166 20 0 BAADRO COC[C@@H]1CN(C(=O)[C@@H](C[NH3+])OC)CCO1 ZINC000352969314 386977147 /nfs/dbraw/zinc/97/71/47/386977147.db2.gz YLWXQOOQLRRZGK-DTWKUNHWSA-N 1 0 232.280 -1.166 20 0 BAADRO COC[C@@H]1CN(C(=O)[C@H](C[NH3+])OC)CCO1 ZINC000352969315 386976581 /nfs/dbraw/zinc/97/65/81/386976581.db2.gz YLWXQOOQLRRZGK-IUCAKERBSA-N 1 0 232.280 -1.166 20 0 BAADRO COC[C@H]1CN(C(=O)[C@@H](C[NH3+])OC)CCO1 ZINC000352969316 386976333 /nfs/dbraw/zinc/97/63/33/386976333.db2.gz YLWXQOOQLRRZGK-RKDXNWHRSA-N 1 0 232.280 -1.166 20 0 BAADRO COC[C@@](C)(NC(=O)[C@@H](C[NH3+])OC)C(=O)OC ZINC000353006406 386987020 /nfs/dbraw/zinc/98/70/20/386987020.db2.gz NXHJENNPNNEZLI-GMSGAONNSA-N 1 0 248.279 -1.346 20 0 BAADRO COC[C@@](C)(NC(=O)[C@H](C[NH3+])OC)C(=O)OC ZINC000353006422 386986791 /nfs/dbraw/zinc/98/67/91/386986791.db2.gz NXHJENNPNNEZLI-OIBJUYFYSA-N 1 0 248.279 -1.346 20 0 BAADRO COC[C@](C)(NC(=O)[C@@H](C[NH3+])OC)C(=O)OC ZINC000353006426 386987697 /nfs/dbraw/zinc/98/76/97/386987697.db2.gz NXHJENNPNNEZLI-XCBNKYQSSA-N 1 0 248.279 -1.346 20 0 BAADRO COC[C@](C)(NC(=O)[C@H](C[NH3+])OC)C(=O)OC ZINC000353006431 386985918 /nfs/dbraw/zinc/98/59/18/386985918.db2.gz NXHJENNPNNEZLI-XVKPBYJWSA-N 1 0 248.279 -1.346 20 0 BAADRO C[N@H+](CC(=O)N1CCNC1=O)C1(CO)CC1 ZINC000353030559 386995191 /nfs/dbraw/zinc/99/51/91/386995191.db2.gz SGUQTBHXEJLPNE-UHFFFAOYSA-N 1 0 227.264 -1.005 20 0 BAADRO C[N@H+](CCCC(=O)NC(N)=O)CCC(N)=O ZINC000353168890 387147143 /nfs/dbraw/zinc/14/71/43/387147143.db2.gz IERPHLANXDBPRU-UHFFFAOYSA-N 1 0 230.268 -1.231 20 0 BAADRO C[C@H]([NH3+])C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000353175895 387150745 /nfs/dbraw/zinc/15/07/45/387150745.db2.gz SINVCGSFPRQXBV-QMMMGPOBSA-N 1 0 242.323 -1.258 20 0 BAADRO CN(C)S(=O)(=O)CC[N@H+](C)CCC(N)=O ZINC000353178535 387150250 /nfs/dbraw/zinc/15/02/50/387150250.db2.gz XMWUICLQYSERQG-UHFFFAOYSA-N 1 0 237.325 -1.315 20 0 BAADRO CCOCCNC(=O)C[N@H+](C)CCC(N)=O ZINC000353181277 387150886 /nfs/dbraw/zinc/15/08/86/387150886.db2.gz LPBBCIONAZATIM-UHFFFAOYSA-N 1 0 231.296 -1.054 20 0 BAADRO C[N@H+](CCC(N)=O)C[C@H](O)CN1CCOCC1 ZINC000353185936 386279292 /nfs/dbraw/zinc/27/92/92/386279292.db2.gz CANDCZOTGMEHKB-JTQLQIEISA-N 1 0 245.323 -1.513 20 0 BAADRO C[N@H+](CCC(N)=O)C[C@@H](O)CN1CCOCC1 ZINC000353185958 386273453 /nfs/dbraw/zinc/27/34/53/386273453.db2.gz CANDCZOTGMEHKB-SNVBAGLBSA-N 1 0 245.323 -1.513 20 0 BAADRO CO[C@H](C[NH3+])C(=O)N1CCNC(=O)[C@@H]1C(C)C ZINC000353191611 386627589 /nfs/dbraw/zinc/62/75/89/386627589.db2.gz POCSVMUCCXNTLD-BDAKNGLRSA-N 1 0 243.307 -1.057 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)N1CCNC(=O)[C@H]1C(C)C ZINC000353191612 386627507 /nfs/dbraw/zinc/62/75/07/386627507.db2.gz POCSVMUCCXNTLD-DTWKUNHWSA-N 1 0 243.307 -1.057 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)N1CCNC(=O)[C@@H]1C(C)C ZINC000353191613 386627420 /nfs/dbraw/zinc/62/74/20/386627420.db2.gz POCSVMUCCXNTLD-IUCAKERBSA-N 1 0 243.307 -1.057 20 0 BAADRO CO[C@H](C[NH3+])C(=O)N1CCNC(=O)[C@H]1C(C)C ZINC000353191614 386626572 /nfs/dbraw/zinc/62/65/72/386626572.db2.gz POCSVMUCCXNTLD-RKDXNWHRSA-N 1 0 243.307 -1.057 20 0 BAADRO CCS(=O)(=O)NCC[N@H+](C)CCC(N)=O ZINC000353193372 387153708 /nfs/dbraw/zinc/15/37/08/387153708.db2.gz MTUAAUPTYZNSGZ-UHFFFAOYSA-N 1 0 237.325 -1.267 20 0 BAADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC000353212517 398157191 /nfs/dbraw/zinc/15/71/91/398157191.db2.gz LMLVTEUSZYIRDH-JGVFFNPUSA-N 1 0 249.336 -1.126 20 0 BAADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC000353212521 398157075 /nfs/dbraw/zinc/15/70/75/398157075.db2.gz LMLVTEUSZYIRDH-YUMQZZPRSA-N 1 0 249.336 -1.126 20 0 BAADRO COC(=O)CCNC(=O)C[N@H+](C)CCC(N)=O ZINC000353213382 387157437 /nfs/dbraw/zinc/15/74/37/387157437.db2.gz SJDRRIJTZPAUJQ-UHFFFAOYSA-N 1 0 245.279 -1.527 20 0 BAADRO COC(=O)CNC(=O)[C@@H](C)[N@H+](C)CCC(N)=O ZINC000353220161 387160438 /nfs/dbraw/zinc/16/04/38/387160438.db2.gz YLVLYENROKJEAG-SSDOTTSWSA-N 1 0 245.279 -1.529 20 0 BAADRO COC(=O)CNC(=O)[C@H](C)[N@H+](C)CCC(N)=O ZINC000353220164 387162082 /nfs/dbraw/zinc/16/20/82/387162082.db2.gz YLVLYENROKJEAG-ZETCQYMHSA-N 1 0 245.279 -1.529 20 0 BAADRO COC(=O)CNC(=O)CC[N@H+](C)CCC(N)=O ZINC000353221734 387160503 /nfs/dbraw/zinc/16/05/03/387160503.db2.gz ZQLIXPSDXQSUTH-UHFFFAOYSA-N 1 0 245.279 -1.527 20 0 BAADRO CCC[C@H]([NH3+])C(=O)NCCC(=O)NC(N)=O ZINC000353243909 387163716 /nfs/dbraw/zinc/16/37/16/387163716.db2.gz NHCIUKPSSYWGFO-LURJTMIESA-N 1 0 230.268 -1.185 20 0 BAADRO CCC[C@@H]([NH3+])C(=O)NCCC(=O)NC(N)=O ZINC000353243910 169389938 /nfs/dbraw/zinc/38/99/38/169389938.db2.gz NHCIUKPSSYWGFO-ZCFIWIBFSA-N 1 0 230.268 -1.185 20 0 BAADRO CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NC(N)=O ZINC000353245834 355729896 /nfs/dbraw/zinc/72/98/96/355729896.db2.gz PIGBZWNJCDBLAV-SSDOTTSWSA-N 1 0 230.268 -1.329 20 0 BAADRO CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NC(N)=O ZINC000353245838 355729704 /nfs/dbraw/zinc/72/97/04/355729704.db2.gz PIGBZWNJCDBLAV-ZETCQYMHSA-N 1 0 230.268 -1.329 20 0 BAADRO C[C@H]([NH3+])C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000353433802 388542905 /nfs/dbraw/zinc/54/29/05/388542905.db2.gz AESIMWQYWYTWRS-JGVFFNPUSA-N 1 0 249.336 -1.126 20 0 BAADRO C[C@H]([NH3+])C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000353433804 388542919 /nfs/dbraw/zinc/54/29/19/388542919.db2.gz AESIMWQYWYTWRS-YUMQZZPRSA-N 1 0 249.336 -1.126 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)NC[C@H](C)N1CCOCC1 ZINC000353438611 387202794 /nfs/dbraw/zinc/20/27/94/387202794.db2.gz ZPMASPSZLHGSBZ-UWVGGRQHSA-N 1 0 245.323 -1.203 20 0 BAADRO CO[C@H](C[NH3+])C(=O)NC[C@H](C)N1CCOCC1 ZINC000353438612 387201236 /nfs/dbraw/zinc/20/12/36/387201236.db2.gz ZPMASPSZLHGSBZ-VHSXEESVSA-N 1 0 245.323 -1.203 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)NC[C@@H](C)N1CCOCC1 ZINC000353438613 386670426 /nfs/dbraw/zinc/67/04/26/386670426.db2.gz ZPMASPSZLHGSBZ-ZJUUUORDSA-N 1 0 245.323 -1.203 20 0 BAADRO CO[C@H](C[NH3+])C(=O)NCCN1CCOC[C@H]1C ZINC000353455873 536557951 /nfs/dbraw/zinc/55/79/51/536557951.db2.gz YPJZJDBKKREPHB-NXEZZACHSA-N 1 0 245.323 -1.203 20 0 BAADRO CO[C@H](C[NH3+])C(=O)NCCNc1cnccn1 ZINC000353456955 411675538 /nfs/dbraw/zinc/67/55/38/411675538.db2.gz FQZGJRFPKPECNB-MRVPVSSYSA-N 1 0 239.279 -1.022 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)NCCNc1cnccn1 ZINC000353456956 411668867 /nfs/dbraw/zinc/66/88/67/411668867.db2.gz FQZGJRFPKPECNB-QMMMGPOBSA-N 1 0 239.279 -1.022 20 0 BAADRO C[N@H+](CC(=O)N1CCNC1=O)C1CC(O)C1 ZINC000353501540 387217275 /nfs/dbraw/zinc/21/72/75/387217275.db2.gz ZRIZQACFOXIBGG-UHFFFAOYSA-N 1 0 227.264 -1.007 20 0 BAADRO COCCN1CCN(C(=O)[C@H](C[NH3+])OC)CC1 ZINC000353501853 174308627 /nfs/dbraw/zinc/30/86/27/174308627.db2.gz BDPXASMEZLSSMM-JTQLQIEISA-N 1 0 245.323 -1.249 20 0 BAADRO COCCN1CCN(C(=O)[C@@H](C[NH3+])OC)CC1 ZINC000353501861 174308543 /nfs/dbraw/zinc/30/85/43/174308543.db2.gz BDPXASMEZLSSMM-SNVBAGLBSA-N 1 0 245.323 -1.249 20 0 BAADRO [NH3+]C1(C(=O)NCCNc2cnccn2)CC1 ZINC000353506073 487697732 /nfs/dbraw/zinc/69/77/32/487697732.db2.gz JYRGHZSBPFLRAS-UHFFFAOYSA-N 1 0 221.264 -0.504 20 0 BAADRO CC(C)NS(=O)(=O)CCNC(=O)C1([NH3+])CC1 ZINC000353576299 167123064 /nfs/dbraw/zinc/12/30/64/167123064.db2.gz FIMALYZMOSQABQ-UHFFFAOYSA-N 1 0 249.336 -1.078 20 0 BAADRO CCC[C@@H]([NH3+])C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000353634961 169388202 /nfs/dbraw/zinc/38/82/02/169388202.db2.gz ISAXZNSBCJEJHN-HTQZYQBOSA-N 1 0 229.280 -1.174 20 0 BAADRO CCC[C@H]([NH3+])C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000353634962 387246121 /nfs/dbraw/zinc/24/61/21/387246121.db2.gz ISAXZNSBCJEJHN-JGVFFNPUSA-N 1 0 229.280 -1.174 20 0 BAADRO CCC[C@@H]([NH3+])C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000353634963 169388612 /nfs/dbraw/zinc/38/86/12/169388612.db2.gz ISAXZNSBCJEJHN-SFYZADRCSA-N 1 0 229.280 -1.174 20 0 BAADRO CCC[C@H]([NH3+])C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000353634965 387246103 /nfs/dbraw/zinc/24/61/03/387246103.db2.gz ISAXZNSBCJEJHN-YUMQZZPRSA-N 1 0 229.280 -1.174 20 0 BAADRO CC(C)[C@@H]([NH3+])C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000353647262 167413163 /nfs/dbraw/zinc/41/31/63/167413163.db2.gz SURNRAQAANTHMM-HTQZYQBOSA-N 1 0 229.280 -1.318 20 0 BAADRO CC(C)[C@@H]([NH3+])C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000353647265 387248870 /nfs/dbraw/zinc/24/88/70/387248870.db2.gz SURNRAQAANTHMM-JGVFFNPUSA-N 1 0 229.280 -1.318 20 0 BAADRO CC(C)[C@H]([NH3+])C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000353647266 387249316 /nfs/dbraw/zinc/24/93/16/387249316.db2.gz SURNRAQAANTHMM-SFYZADRCSA-N 1 0 229.280 -1.318 20 0 BAADRO CC(C)[C@H]([NH3+])C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000353647267 187209103 /nfs/dbraw/zinc/20/91/03/187209103.db2.gz SURNRAQAANTHMM-YUMQZZPRSA-N 1 0 229.280 -1.318 20 0 BAADRO C[C@H]([NH3+])C(=O)N(C)CC(=O)N1CCOCC1 ZINC000353666463 387253261 /nfs/dbraw/zinc/25/32/61/387253261.db2.gz AJVFRHROYDORIA-QMMMGPOBSA-N 1 0 229.280 -1.349 20 0 BAADRO CCC[C@@H]([NH3+])C(=O)NCCN1C(=O)CNC1=O ZINC000353667386 169388797 /nfs/dbraw/zinc/38/87/97/169388797.db2.gz IFTDBKYAHUGTNG-SSDOTTSWSA-N 1 0 242.279 -1.218 20 0 BAADRO CCC[C@H]([NH3+])C(=O)NCCN1C(=O)CNC1=O ZINC000353667387 386957366 /nfs/dbraw/zinc/95/73/66/386957366.db2.gz IFTDBKYAHUGTNG-ZETCQYMHSA-N 1 0 242.279 -1.218 20 0 BAADRO CN(CC(=O)N1CCOCC1)C(=O)C1([NH3+])CC1 ZINC000353668553 387255694 /nfs/dbraw/zinc/25/56/94/387255694.db2.gz OMIPOXMYNSELLF-UHFFFAOYSA-N 1 0 241.291 -1.205 20 0 BAADRO CC(C)[C@@H]([NH3+])C(=O)NCCN1C(=O)CNC1=O ZINC000353669453 387255093 /nfs/dbraw/zinc/25/50/93/387255093.db2.gz UEHDYTSPHUVQHT-MRVPVSSYSA-N 1 0 242.279 -1.362 20 0 BAADRO CC(C)[C@H]([NH3+])C(=O)NCCN1C(=O)CNC1=O ZINC000353669454 387255376 /nfs/dbraw/zinc/25/53/76/387255376.db2.gz UEHDYTSPHUVQHT-QMMMGPOBSA-N 1 0 242.279 -1.362 20 0 BAADRO COCCN1CCN(C(=O)C2([NH3+])CC2)CC1=O ZINC000353745912 174307976 /nfs/dbraw/zinc/30/79/76/174307976.db2.gz KRXBDOHJLLEPEE-UHFFFAOYSA-N 1 0 241.291 -1.205 20 0 BAADRO C[C@H]([NH3+])C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000353756498 387269045 /nfs/dbraw/zinc/26/90/45/387269045.db2.gz XACKKEJSICQVLS-JGVFFNPUSA-N 1 0 249.336 -1.126 20 0 BAADRO C[C@@H]([NH3+])C(=O)NC[C@@H]1CCCN1S(C)(=O)=O ZINC000353756499 387270284 /nfs/dbraw/zinc/27/02/84/387270284.db2.gz XACKKEJSICQVLS-SFYZADRCSA-N 1 0 249.336 -1.126 20 0 BAADRO C[C@H]([NH3+])C(=O)NC[C@@H]1CCCN1S(C)(=O)=O ZINC000353756500 387270095 /nfs/dbraw/zinc/27/00/95/387270095.db2.gz XACKKEJSICQVLS-YUMQZZPRSA-N 1 0 249.336 -1.126 20 0 BAADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000353760088 353222545 /nfs/dbraw/zinc/22/25/45/353222545.db2.gz ZAVBVPNEYHYJDJ-JGVFFNPUSA-N 1 0 249.336 -1.126 20 0 BAADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000353760089 353222449 /nfs/dbraw/zinc/22/24/49/353222449.db2.gz ZAVBVPNEYHYJDJ-YUMQZZPRSA-N 1 0 249.336 -1.126 20 0 BAADRO COCCN(CC[NH+](C)C)C(=O)CC(N)=O ZINC000353780360 174291142 /nfs/dbraw/zinc/29/11/42/174291142.db2.gz TYLZMJSKUJKWEA-UHFFFAOYSA-N 1 0 231.296 -1.102 20 0 BAADRO COCC[N@H+](C)CCNC(=O)CC(N)=O ZINC000353781130 174275907 /nfs/dbraw/zinc/27/59/07/174275907.db2.gz WAWQGFNOZDGSKG-UHFFFAOYSA-N 1 0 217.269 -1.444 20 0 BAADRO COC[C@H]([NH3+])C(=O)N[C@@H](C(N)=O)C(C)(C)C ZINC000354067696 387325057 /nfs/dbraw/zinc/32/50/57/387325057.db2.gz FHTQTGACUPTZGG-BQBZGAKWSA-N 1 0 231.296 -1.024 20 0 BAADRO COC[C@H]([NH3+])C(=O)N[C@H](C(N)=O)C(C)(C)C ZINC000354067697 387324175 /nfs/dbraw/zinc/32/41/75/387324175.db2.gz FHTQTGACUPTZGG-NKWVEPMBSA-N 1 0 231.296 -1.024 20 0 BAADRO COC[C@@H]([NH3+])C(=O)N[C@H](C(N)=O)C(C)(C)C ZINC000354067698 387325498 /nfs/dbraw/zinc/32/54/98/387325498.db2.gz FHTQTGACUPTZGG-RNFRBKRXSA-N 1 0 231.296 -1.024 20 0 BAADRO COC[C@@H]([NH3+])C(=O)N[C@@H](C(N)=O)C(C)(C)C ZINC000354067699 387324407 /nfs/dbraw/zinc/32/44/07/387324407.db2.gz FHTQTGACUPTZGG-RQJHMYQMSA-N 1 0 231.296 -1.024 20 0 BAADRO CNC(=O)[C@H](NC(=O)[C@H]([NH3+])COC)C(C)C ZINC000354067766 173305220 /nfs/dbraw/zinc/30/52/20/173305220.db2.gz GBJDCEPDTRGXCC-HTQZYQBOSA-N 1 0 231.296 -1.153 20 0 BAADRO CNC(=O)[C@H](NC(=O)[C@@H]([NH3+])COC)C(C)C ZINC000354067767 173305182 /nfs/dbraw/zinc/30/51/82/173305182.db2.gz GBJDCEPDTRGXCC-JGVFFNPUSA-N 1 0 231.296 -1.153 20 0 BAADRO CNC(=O)[C@@H](NC(=O)[C@H]([NH3+])COC)C(C)C ZINC000354067768 173296842 /nfs/dbraw/zinc/29/68/42/173296842.db2.gz GBJDCEPDTRGXCC-SFYZADRCSA-N 1 0 231.296 -1.153 20 0 BAADRO CNC(=O)[C@@H](NC(=O)[C@@H]([NH3+])COC)C(C)C ZINC000354067769 173296944 /nfs/dbraw/zinc/29/69/44/173296944.db2.gz GBJDCEPDTRGXCC-YUMQZZPRSA-N 1 0 231.296 -1.153 20 0 BAADRO COCCN(CC(=O)OC)C(=O)[C@H]([NH3+])COC ZINC000354073951 174286367 /nfs/dbraw/zinc/28/63/67/174286367.db2.gz RKCTYXSDBSDAGZ-MRVPVSSYSA-N 1 0 248.279 -1.392 20 0 BAADRO COCCN(CC(=O)OC)C(=O)[C@@H]([NH3+])COC ZINC000354073952 174286096 /nfs/dbraw/zinc/28/60/96/174286096.db2.gz RKCTYXSDBSDAGZ-QMMMGPOBSA-N 1 0 248.279 -1.392 20 0 BAADRO COC[C@@H]([NH3+])C(=O)N(C)CCNC(=O)N(C)C ZINC000354074835 386147188 /nfs/dbraw/zinc/14/71/88/386147188.db2.gz XIIHJROCICBDCX-MRVPVSSYSA-N 1 0 246.311 -1.310 20 0 BAADRO COC[C@H]([NH3+])C(=O)N(C)CCNC(=O)N(C)C ZINC000354074836 386146676 /nfs/dbraw/zinc/14/66/76/386146676.db2.gz XIIHJROCICBDCX-QMMMGPOBSA-N 1 0 246.311 -1.310 20 0 BAADRO CC(C)[N@H+](C)CC(=O)N(CC(N)=O)CC(N)=O ZINC000354484717 187210481 /nfs/dbraw/zinc/21/04/81/187210481.db2.gz ZGVDEDDTOUTFLL-UHFFFAOYSA-N 1 0 244.295 -1.874 20 0 BAADRO C[NH+](C)CC(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000354639809 387408575 /nfs/dbraw/zinc/40/85/75/387408575.db2.gz NMZXAKRRGWZELD-MRVPVSSYSA-N 1 0 249.336 -1.173 20 0 BAADRO C[NH+](C)CC(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000354639821 387409199 /nfs/dbraw/zinc/40/91/99/387409199.db2.gz NMZXAKRRGWZELD-QMMMGPOBSA-N 1 0 249.336 -1.173 20 0 BAADRO CCOC(=O)[C@](C)(O)C[N@H+](CCO)CCCO ZINC000354784877 170284175 /nfs/dbraw/zinc/28/41/75/170284175.db2.gz FPMSNTHYRNVARJ-LLVKDONJSA-N 1 0 249.307 -1.023 20 0 BAADRO CCOC(=O)[C@@](C)(O)C[N@H+](CCO)CCCO ZINC000354784887 170261034 /nfs/dbraw/zinc/26/10/34/170261034.db2.gz FPMSNTHYRNVARJ-NSHDSACASA-N 1 0 249.307 -1.023 20 0 BAADRO CCOC(=O)[C@@](C)(O)C[NH+](CCO)CCO ZINC000354851106 170261009 /nfs/dbraw/zinc/26/10/09/170261009.db2.gz IRONTMYMSCFYAG-JTQLQIEISA-N 1 0 235.280 -1.413 20 0 BAADRO CCOC(=O)[C@](C)(O)C[NH+](CCO)CCO ZINC000354851107 170283944 /nfs/dbraw/zinc/28/39/44/170283944.db2.gz IRONTMYMSCFYAG-SNVBAGLBSA-N 1 0 235.280 -1.413 20 0 BAADRO CCC[N@H+](C)CC(=O)N1CC[C@](O)(C(N)=O)C1 ZINC000355026926 169068405 /nfs/dbraw/zinc/06/84/05/169068405.db2.gz BHEPFGCQEVTVBX-LLVKDONJSA-N 1 0 243.307 -1.223 20 0 BAADRO CCC[N@H+](C)CC(=O)N1CC[C@@](O)(C(N)=O)C1 ZINC000355026927 169066958 /nfs/dbraw/zinc/06/69/58/169066958.db2.gz BHEPFGCQEVTVBX-NSHDSACASA-N 1 0 243.307 -1.223 20 0 BAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](O)(C(N)=O)C1 ZINC000355033615 173047663 /nfs/dbraw/zinc/04/76/63/173047663.db2.gz RBOPJEYDEWMIGY-GZMMTYOYSA-N 1 0 241.291 -1.471 20 0 BAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](O)(C(N)=O)C1 ZINC000355033618 173022476 /nfs/dbraw/zinc/02/24/76/173022476.db2.gz RBOPJEYDEWMIGY-KCJUWKMLSA-N 1 0 241.291 -1.471 20 0 BAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](O)(C(N)=O)C1 ZINC000355033622 173048874 /nfs/dbraw/zinc/04/88/74/173048874.db2.gz RBOPJEYDEWMIGY-KWQFWETISA-N 1 0 241.291 -1.471 20 0 BAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](O)(C(N)=O)C1 ZINC000355033630 173023518 /nfs/dbraw/zinc/02/35/18/173023518.db2.gz RBOPJEYDEWMIGY-LDYMZIIASA-N 1 0 241.291 -1.471 20 0 BAADRO CC[NH+](CC)CC(=O)N1CC[C@](O)(C(N)=O)C1 ZINC000355038762 387468375 /nfs/dbraw/zinc/46/83/75/387468375.db2.gz BCNLXHCGEDVMQC-LLVKDONJSA-N 1 0 243.307 -1.223 20 0 BAADRO CC[NH+](CC)CC(=O)N1CC[C@@](O)(C(N)=O)C1 ZINC000355038763 387468479 /nfs/dbraw/zinc/46/84/79/387468479.db2.gz BCNLXHCGEDVMQC-NSHDSACASA-N 1 0 243.307 -1.223 20 0 BAADRO CC[C@@H](C(=O)N1CC[C@](O)(C(N)=O)C1)[NH+](C)C ZINC000355056298 387472658 /nfs/dbraw/zinc/47/26/58/387472658.db2.gz AYJKVUNYZPCZJF-GZMMTYOYSA-N 1 0 243.307 -1.225 20 0 BAADRO CC[C@H](C(=O)N1CC[C@@](O)(C(N)=O)C1)[NH+](C)C ZINC000355056317 171226226 /nfs/dbraw/zinc/22/62/26/171226226.db2.gz AYJKVUNYZPCZJF-KCJUWKMLSA-N 1 0 243.307 -1.225 20 0 BAADRO CC[C@@H](C(=O)N1CC[C@@](O)(C(N)=O)C1)[NH+](C)C ZINC000355056322 188063206 /nfs/dbraw/zinc/06/32/06/188063206.db2.gz AYJKVUNYZPCZJF-KWQFWETISA-N 1 0 243.307 -1.225 20 0 BAADRO CC[C@H](C(=O)N1CC[C@](O)(C(N)=O)C1)[NH+](C)C ZINC000355056327 171225859 /nfs/dbraw/zinc/22/58/59/171225859.db2.gz AYJKVUNYZPCZJF-LDYMZIIASA-N 1 0 243.307 -1.225 20 0 BAADRO CCOC(=O)[C@](C)(O)C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000355074706 170285275 /nfs/dbraw/zinc/28/52/75/170285275.db2.gz IOVXLCRFAWAOEE-IQJOONFLSA-N 1 0 247.291 -1.272 20 0 BAADRO NC(=O)[C@H]1CC[C@@H](C(=O)NCCN2CCC2)O1 ZINC000355138778 181283922 /nfs/dbraw/zinc/28/39/22/181283922.db2.gz ZBOOFJQAEQULDC-BDAKNGLRSA-N 1 0 241.291 -1.159 20 0 BAADRO COC(=O)COCC(=O)NCC[NH+]1CCC1 ZINC000355168809 387491626 /nfs/dbraw/zinc/49/16/26/387491626.db2.gz YREGRHHURASPLT-UHFFFAOYSA-N 1 0 230.264 -1.002 20 0 BAADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CCO ZINC000355310286 387517875 /nfs/dbraw/zinc/51/78/75/387517875.db2.gz DECMGSUDOYUSNT-SECBINFHSA-N 1 0 245.323 -1.107 20 0 BAADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CCO ZINC000355310289 175669925 /nfs/dbraw/zinc/66/99/25/175669925.db2.gz DECMGSUDOYUSNT-VIFPVBQESA-N 1 0 245.323 -1.107 20 0 BAADRO CC[N@H+](CCC(=O)NCC(=O)OC)CC(N)=O ZINC000355549779 387549470 /nfs/dbraw/zinc/54/94/70/387549470.db2.gz FHXCTBHSWBKYQD-UHFFFAOYSA-N 1 0 245.279 -1.527 20 0 BAADRO C[NH+](C)C1CN(C(=O)[C@@H]2CC[C@H](C(N)=O)O2)C1 ZINC000355551069 387551128 /nfs/dbraw/zinc/55/11/28/387551128.db2.gz IJYYPHHUTCCXHI-BDAKNGLRSA-N 1 0 241.291 -1.208 20 0 BAADRO C[NH+](C)C1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000355551070 387550918 /nfs/dbraw/zinc/55/09/18/387550918.db2.gz IJYYPHHUTCCXHI-DTWKUNHWSA-N 1 0 241.291 -1.208 20 0 BAADRO C[NH+](C)C1CN(C(=O)[C@@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000355551071 387551088 /nfs/dbraw/zinc/55/10/88/387551088.db2.gz IJYYPHHUTCCXHI-IUCAKERBSA-N 1 0 241.291 -1.208 20 0 BAADRO C[NH+](C)C1CN(C(=O)[C@H]2CC[C@H](C(N)=O)O2)C1 ZINC000355551072 172409962 /nfs/dbraw/zinc/40/99/62/172409962.db2.gz IJYYPHHUTCCXHI-RKDXNWHRSA-N 1 0 241.291 -1.208 20 0 BAADRO CCC[N@H+](C)CC(=O)N(CC(N)=O)CC(N)=O ZINC000355595193 169064608 /nfs/dbraw/zinc/06/46/08/169064608.db2.gz HXSTXRFGGKDHAU-UHFFFAOYSA-N 1 0 244.295 -1.873 20 0 BAADRO C[C@H](C[NH+](C)C)NC(=O)NCc1nnn(C)n1 ZINC000355656859 387563012 /nfs/dbraw/zinc/56/30/12/387563012.db2.gz QKZYFTDRXMETHB-SSDOTTSWSA-N 1 0 241.299 -1.041 20 0 BAADRO C[C@@H](C[NH+](C)C)NC(=O)NCc1nnn(C)n1 ZINC000355656862 387563726 /nfs/dbraw/zinc/56/37/26/387563726.db2.gz QKZYFTDRXMETHB-ZETCQYMHSA-N 1 0 241.299 -1.041 20 0 BAADRO CNC(=O)C[N@H+](C)CCCC(=O)NC(N)=O ZINC000355757558 173266700 /nfs/dbraw/zinc/26/67/00/173266700.db2.gz ZJFDKNIFYAZACY-UHFFFAOYSA-N 1 0 230.268 -1.361 20 0 BAADRO CNC(=O)[C@H](C)NC(=O)[C@H]1CN(C)CCO1 ZINC000355942383 173302304 /nfs/dbraw/zinc/30/23/04/173302304.db2.gz KBAJQGIMEFUZGF-JGVFFNPUSA-N 1 0 229.280 -1.432 20 0 BAADRO CNC(=O)[C@@H](C)NC(=O)[C@@H]1CN(C)CCO1 ZINC000355942384 173294617 /nfs/dbraw/zinc/29/46/17/173294617.db2.gz KBAJQGIMEFUZGF-SFYZADRCSA-N 1 0 229.280 -1.432 20 0 BAADRO COCCN(CCO)CC(=O)NCC(=O)OC ZINC000355942902 174294075 /nfs/dbraw/zinc/29/40/75/174294075.db2.gz ITPSQKZLTFJWQD-UHFFFAOYSA-N 1 0 248.279 -1.784 20 0 BAADRO COCC[N@H+](CCO)CCCC(=O)NC(N)=O ZINC000355955670 174293242 /nfs/dbraw/zinc/29/32/42/174293242.db2.gz ZILJXBGQRRJRGZ-UHFFFAOYSA-N 1 0 247.295 -1.098 20 0 BAADRO CNC(=O)CC(=O)NCC[N@H+](C)CCOC ZINC000356165679 173230143 /nfs/dbraw/zinc/23/01/43/173230143.db2.gz HQJVYLFQTSNHCV-UHFFFAOYSA-N 1 0 231.296 -1.183 20 0 BAADRO CN(C)CC[N@H+](C)CCCNC(=O)CC(N)=O ZINC000356523606 387669662 /nfs/dbraw/zinc/66/96/62/387669662.db2.gz LZUFUEFLBLZLHG-UHFFFAOYSA-N 1 0 244.339 -1.139 20 0 BAADRO CN(C)C(=O)NCCNC(=O)C[NH+](C)C ZINC000356763554 387718055 /nfs/dbraw/zinc/71/80/55/387718055.db2.gz CFLUDCGIRMAVEE-UHFFFAOYSA-N 1 0 216.285 -1.065 20 0 BAADRO CNC(=O)CC(=O)NCCOCC[NH+](C)C ZINC000356941168 173230125 /nfs/dbraw/zinc/23/01/25/173230125.db2.gz OINSFOWRXOLAPD-UHFFFAOYSA-N 1 0 231.296 -1.183 20 0 BAADRO CC[N@H+](CCO)CCNC(=O)CC(=O)NC ZINC000356941174 387751936 /nfs/dbraw/zinc/75/19/36/387751936.db2.gz OIZXTLMZVYFOCF-UHFFFAOYSA-N 1 0 231.296 -1.447 20 0 BAADRO CCOC(=O)[C@@H](CO)NC(=O)C[NH+](C)C ZINC000356944412 170251983 /nfs/dbraw/zinc/25/19/83/170251983.db2.gz VMJGJKYDPMFWEY-SSDOTTSWSA-N 1 0 218.253 -1.412 20 0 BAADRO CCOC(=O)[C@H](CO)NC(=O)C[NH+](C)C ZINC000356944417 170273097 /nfs/dbraw/zinc/27/30/97/170273097.db2.gz VMJGJKYDPMFWEY-ZETCQYMHSA-N 1 0 218.253 -1.412 20 0 BAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@](O)(C(N)=O)C1 ZINC000357016121 188238599 /nfs/dbraw/zinc/23/85/99/188238599.db2.gz YOKMOVHCLWCUKX-LLVKDONJSA-N 1 0 243.307 -1.225 20 0 BAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@@](O)(C(N)=O)C1 ZINC000357016122 386689866 /nfs/dbraw/zinc/68/98/66/386689866.db2.gz YOKMOVHCLWCUKX-NSHDSACASA-N 1 0 243.307 -1.225 20 0 BAADRO COCC(=O)N1CCN(CCOCC[NH3+])CC1 ZINC000357026189 174043438 /nfs/dbraw/zinc/04/34/38/174043438.db2.gz HOGUHAQPTPOHKL-UHFFFAOYSA-N 1 0 245.323 -1.248 20 0 BAADRO CN(Cc1cn(C)c(=O)n(C)c1=O)C1C[NH2+]C1 ZINC000357047305 172910621 /nfs/dbraw/zinc/91/06/21/172910621.db2.gz JFANCNCMVFJDTJ-UHFFFAOYSA-N 1 0 238.291 -1.512 20 0 BAADRO COCCN(CCOCC[NH3+])CC(=O)N(C)C ZINC000357079527 386712518 /nfs/dbraw/zinc/71/25/18/386712518.db2.gz SXXRGNRRGJYODX-UHFFFAOYSA-N 1 0 247.339 -1.002 20 0 BAADRO C[C@@H](NC(=O)CN(C)C1C[NH2+]C1)C(=O)N(C)C ZINC000357089344 175831049 /nfs/dbraw/zinc/83/10/49/175831049.db2.gz PLKZFPGGZMSWOF-MRVPVSSYSA-N 1 0 242.323 -1.517 20 0 BAADRO C[C@H](NC(=O)CN(C)C1C[NH2+]C1)C(=O)N(C)C ZINC000357089358 384796894 /nfs/dbraw/zinc/79/68/94/384796894.db2.gz PLKZFPGGZMSWOF-QMMMGPOBSA-N 1 0 242.323 -1.517 20 0 BAADRO CN(CC(=O)N1CCNC(=O)C1)C1C[NH2+]C1 ZINC000357092928 386714322 /nfs/dbraw/zinc/71/43/22/386714322.db2.gz VBRDZQBHKXFCMR-UHFFFAOYSA-N 1 0 226.280 -2.152 20 0 BAADRO C[C@@H]1CN(CCOCC[NH3+])C[C@@H](C(N)=O)O1 ZINC000357110938 176292961 /nfs/dbraw/zinc/29/29/61/176292961.db2.gz YBPKTKMHZKUYAY-BDAKNGLRSA-N 1 0 231.296 -1.464 20 0 BAADRO C[C@H]1CN(CCOCC[NH3+])C[C@H](C(N)=O)O1 ZINC000357110940 177252642 /nfs/dbraw/zinc/25/26/42/177252642.db2.gz YBPKTKMHZKUYAY-DTWKUNHWSA-N 1 0 231.296 -1.464 20 0 BAADRO C[C@H]1CN(CCOCC[NH3+])C[C@@H](C(N)=O)O1 ZINC000357110941 177252893 /nfs/dbraw/zinc/25/28/93/177252893.db2.gz YBPKTKMHZKUYAY-IUCAKERBSA-N 1 0 231.296 -1.464 20 0 BAADRO C[C@@H]1CN(CCOCC[NH3+])C[C@H](C(N)=O)O1 ZINC000357110943 176293247 /nfs/dbraw/zinc/29/32/47/176293247.db2.gz YBPKTKMHZKUYAY-RKDXNWHRSA-N 1 0 231.296 -1.464 20 0 BAADRO C[NH2+]CCC(=O)N[C@H](CC(=O)OC)C(=O)OC ZINC000357115138 173341350 /nfs/dbraw/zinc/34/13/50/173341350.db2.gz DSENRKOKCHMIOH-SSDOTTSWSA-N 1 0 246.263 -1.183 20 0 BAADRO C[NH2+]CCC(=O)N[C@@H](CC(=O)OC)C(=O)OC ZINC000357115154 173340598 /nfs/dbraw/zinc/34/05/98/173340598.db2.gz DSENRKOKCHMIOH-ZETCQYMHSA-N 1 0 246.263 -1.183 20 0 BAADRO COC(=O)C[C@H](NC(=O)[C@@H](C)C[NH3+])C(=O)OC ZINC000357123878 386723542 /nfs/dbraw/zinc/72/35/42/386723542.db2.gz YXTUEAYGORVYJA-BQBZGAKWSA-N 1 0 246.263 -1.198 20 0 BAADRO COC(=O)C[C@@H](NC(=O)[C@@H](C)C[NH3+])C(=O)OC ZINC000357123886 386723972 /nfs/dbraw/zinc/72/39/72/386723972.db2.gz YXTUEAYGORVYJA-NKWVEPMBSA-N 1 0 246.263 -1.198 20 0 BAADRO COC(=O)C[C@@H](NC(=O)[C@H](C)C[NH3+])C(=O)OC ZINC000357123887 173625667 /nfs/dbraw/zinc/62/56/67/173625667.db2.gz YXTUEAYGORVYJA-RNFRBKRXSA-N 1 0 246.263 -1.198 20 0 BAADRO COC(=O)C[C@H](NC(=O)[C@H](C)C[NH3+])C(=O)OC ZINC000357123888 386724351 /nfs/dbraw/zinc/72/43/51/386724351.db2.gz YXTUEAYGORVYJA-RQJHMYQMSA-N 1 0 246.263 -1.198 20 0 BAADRO COC[C@@H]([NH3+])C(=O)N[C@](C)(COC)C(=O)OC ZINC000357141953 386725571 /nfs/dbraw/zinc/72/55/71/386725571.db2.gz YEDRLWMRPDZWOQ-GMSGAONNSA-N 1 0 248.279 -1.346 20 0 BAADRO COC[C@H]([NH3+])C(=O)N[C@](C)(COC)C(=O)OC ZINC000357141960 386725635 /nfs/dbraw/zinc/72/56/35/386725635.db2.gz YEDRLWMRPDZWOQ-OIBJUYFYSA-N 1 0 248.279 -1.346 20 0 BAADRO COC[C@@H]([NH3+])C(=O)N[C@@](C)(COC)C(=O)OC ZINC000357141961 386725365 /nfs/dbraw/zinc/72/53/65/386725365.db2.gz YEDRLWMRPDZWOQ-XCBNKYQSSA-N 1 0 248.279 -1.346 20 0 BAADRO COC[C@H]([NH3+])C(=O)N[C@@](C)(COC)C(=O)OC ZINC000357141968 386725978 /nfs/dbraw/zinc/72/59/78/386725978.db2.gz YEDRLWMRPDZWOQ-XVKPBYJWSA-N 1 0 248.279 -1.346 20 0 BAADRO C[NH+](C)CCNC(=O)CN1CCNCC1=O ZINC000357243154 386744864 /nfs/dbraw/zinc/74/48/64/386744864.db2.gz QUJYGHCDJWILBC-UHFFFAOYSA-N 1 0 228.296 -1.904 20 0 BAADRO CCNC(=O)CC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000357353051 170046911 /nfs/dbraw/zinc/04/69/11/170046911.db2.gz HOMIJAFWBAZMIM-LLVKDONJSA-N 1 0 245.323 -1.059 20 0 BAADRO CCNC(=O)CC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000357353060 170046657 /nfs/dbraw/zinc/04/66/57/170046657.db2.gz HOMIJAFWBAZMIM-NSHDSACASA-N 1 0 245.323 -1.059 20 0 BAADRO C[C@H](C(=O)N(C)C)S(=O)(=O)N(C)C1C[NH2+]C1 ZINC000357486781 386790644 /nfs/dbraw/zinc/79/06/44/386790644.db2.gz QTJUVMVCLBCYBI-SSDOTTSWSA-N 1 0 249.336 -1.304 20 0 BAADRO C[C@@H](C(=O)N(C)C)S(=O)(=O)N(C)C1C[NH2+]C1 ZINC000357486782 386790224 /nfs/dbraw/zinc/79/02/24/386790224.db2.gz QTJUVMVCLBCYBI-ZETCQYMHSA-N 1 0 249.336 -1.304 20 0 BAADRO COC(=O)CNC(=O)CN1CCC[N@H+](C)CC1 ZINC000357652143 386819147 /nfs/dbraw/zinc/81/91/47/386819147.db2.gz SVDRYMKGQNUHCQ-UHFFFAOYSA-N 1 0 243.307 -1.087 20 0 BAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC(C)(CO)CO ZINC000357708509 173024841 /nfs/dbraw/zinc/02/48/41/173024841.db2.gz DGHQUJFSTDGCLH-MRVPVSSYSA-N 1 0 216.281 -1.060 20 0 BAADRO C[N@@H+]1CCC[C@H]1C(=O)NC(C)(CO)CO ZINC000357708516 173047579 /nfs/dbraw/zinc/04/75/79/173047579.db2.gz DGHQUJFSTDGCLH-QMMMGPOBSA-N 1 0 216.281 -1.060 20 0 BAADRO COCC[N@H+](C)CCCNC(=O)CNC(N)=O ZINC000357788778 174274862 /nfs/dbraw/zinc/27/48/62/174274862.db2.gz CWTZTTSYLXOHIN-UHFFFAOYSA-N 1 0 246.311 -1.261 20 0 BAADRO CC(C)NC(=O)CN(C)CC(=O)N(C)CCO ZINC000357860975 167046175 /nfs/dbraw/zinc/04/61/75/167046175.db2.gz DZXHILZXUCZTIW-UHFFFAOYSA-N 1 0 245.323 -1.107 20 0 BAADRO CC(C)NC(=O)CN(C)CC(=O)NCCCO ZINC000357872724 167046757 /nfs/dbraw/zinc/04/67/57/167046757.db2.gz PUBPFONPYPKMOB-UHFFFAOYSA-N 1 0 245.323 -1.059 20 0 BAADRO C[N@@H+]1CCC[C@@H]1CNC(=O)CNC(N)=O ZINC000357916425 173030081 /nfs/dbraw/zinc/03/00/81/173030081.db2.gz SWGCNDCCDDLHNE-SSDOTTSWSA-N 1 0 214.269 -1.135 20 0 BAADRO C[N@@H+]1CCC[C@H]1CNC(=O)CNC(N)=O ZINC000357916442 173053425 /nfs/dbraw/zinc/05/34/25/173053425.db2.gz SWGCNDCCDDLHNE-ZETCQYMHSA-N 1 0 214.269 -1.135 20 0 BAADRO COCC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358072303 174053053 /nfs/dbraw/zinc/05/30/53/174053053.db2.gz YMJNLJBVUZLZJV-SECBINFHSA-N 1 0 202.254 -1.184 20 0 BAADRO COCC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358072305 174050918 /nfs/dbraw/zinc/05/09/18/174050918.db2.gz YMJNLJBVUZLZJV-VIFPVBQESA-N 1 0 202.254 -1.184 20 0 BAADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2nnc[nH]2)C1 ZINC000358075613 173140160 /nfs/dbraw/zinc/14/01/60/173140160.db2.gz UEAASDILVJFTHT-SECBINFHSA-N 1 0 225.252 -1.399 20 0 BAADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2nnc[nH]2)C1 ZINC000358075626 173164747 /nfs/dbraw/zinc/16/47/47/173164747.db2.gz UEAASDILVJFTHT-VIFPVBQESA-N 1 0 225.252 -1.399 20 0 BAADRO CCOCCNC(=O)CN1CCO[C@@H](C[NH3+])C1 ZINC000358129261 386896472 /nfs/dbraw/zinc/89/64/72/386896472.db2.gz RNTCIAXAUYZCAI-JTQLQIEISA-N 1 0 245.323 -1.201 20 0 BAADRO CCOCCNC(=O)CN1CCO[C@H](C[NH3+])C1 ZINC000358129262 386896480 /nfs/dbraw/zinc/89/64/80/386896480.db2.gz RNTCIAXAUYZCAI-SNVBAGLBSA-N 1 0 245.323 -1.201 20 0 BAADRO CCNS(=O)(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358182831 170135221 /nfs/dbraw/zinc/13/52/21/170135221.db2.gz GRJWCWVSDXGFFH-MRVPVSSYSA-N 1 0 237.325 -1.503 20 0 BAADRO CCNS(=O)(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358182838 170135631 /nfs/dbraw/zinc/13/56/31/170135631.db2.gz GRJWCWVSDXGFFH-QMMMGPOBSA-N 1 0 237.325 -1.503 20 0 BAADRO CCS(=O)(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358204274 386913025 /nfs/dbraw/zinc/91/30/25/386913025.db2.gz UWPLFFZWKHGPAX-MRVPVSSYSA-N 1 0 222.310 -1.008 20 0 BAADRO CCS(=O)(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358204467 386913329 /nfs/dbraw/zinc/91/33/29/386913329.db2.gz UWPLFFZWKHGPAX-QMMMGPOBSA-N 1 0 222.310 -1.008 20 0 BAADRO CN(C)S(=O)(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358207483 173140216 /nfs/dbraw/zinc/14/02/16/173140216.db2.gz ZYJMBXUACHKQHR-MRVPVSSYSA-N 1 0 237.325 -1.551 20 0 BAADRO CN(C)S(=O)(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358207485 173165818 /nfs/dbraw/zinc/16/58/18/173165818.db2.gz ZYJMBXUACHKQHR-QMMMGPOBSA-N 1 0 237.325 -1.551 20 0 BAADRO Cn1ccnc(NC[C@]2(O)CC[N@H+](C)C2)c1=O ZINC000358316704 412255268 /nfs/dbraw/zinc/25/52/68/412255268.db2.gz YKANMPINVIPZSJ-LLVKDONJSA-N 1 0 238.291 -0.741 20 0 BAADRO Cn1ccnc(NC[C@@]2(O)CC[N@H+](C)C2)c1=O ZINC000358316705 412258142 /nfs/dbraw/zinc/25/81/42/412258142.db2.gz YKANMPINVIPZSJ-NSHDSACASA-N 1 0 238.291 -0.741 20 0 BAADRO CNC(=O)CC[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000358437869 173252465 /nfs/dbraw/zinc/25/24/65/173252465.db2.gz GHLCBDHHYMOBNU-MRVPVSSYSA-N 1 0 249.336 -1.125 20 0 BAADRO CNC(=O)CC[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000358437872 173254877 /nfs/dbraw/zinc/25/48/77/173254877.db2.gz GHLCBDHHYMOBNU-QMMMGPOBSA-N 1 0 249.336 -1.125 20 0 BAADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NC2CC2)CCO1 ZINC000358510926 386969503 /nfs/dbraw/zinc/96/95/03/386969503.db2.gz BXBZHMLDKYYMCK-MRVPVSSYSA-N 1 0 227.264 -1.549 20 0 BAADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NC2CC2)CCO1 ZINC000358510931 386969419 /nfs/dbraw/zinc/96/94/19/386969419.db2.gz BXBZHMLDKYYMCK-QMMMGPOBSA-N 1 0 227.264 -1.549 20 0 BAADRO CN1C[C@H](C(=O)N2CCO[C@@H](C[NH3+])C2)CC1=O ZINC000358517850 173191849 /nfs/dbraw/zinc/19/18/49/173191849.db2.gz UHFKZNQFXWGFBE-BDAKNGLRSA-N 1 0 241.291 -1.349 20 0 BAADRO CN1C[C@@H](C(=O)N2CCO[C@H](C[NH3+])C2)CC1=O ZINC000358517854 173181919 /nfs/dbraw/zinc/18/19/19/173181919.db2.gz UHFKZNQFXWGFBE-DTWKUNHWSA-N 1 0 241.291 -1.349 20 0 BAADRO CN1C[C@@H](C(=O)N2CCO[C@@H](C[NH3+])C2)CC1=O ZINC000358517861 173181116 /nfs/dbraw/zinc/18/11/16/173181116.db2.gz UHFKZNQFXWGFBE-IUCAKERBSA-N 1 0 241.291 -1.349 20 0 BAADRO CN1C[C@H](C(=O)N2CCO[C@H](C[NH3+])C2)CC1=O ZINC000358517872 173190977 /nfs/dbraw/zinc/19/09/77/173190977.db2.gz UHFKZNQFXWGFBE-RKDXNWHRSA-N 1 0 241.291 -1.349 20 0 BAADRO C[C@H](C[NH+](C)C)NC(=O)NC(CO)CO ZINC000358525364 386974395 /nfs/dbraw/zinc/97/43/95/386974395.db2.gz NYWHMOPETSFJEX-SSDOTTSWSA-N 1 0 219.285 -1.411 20 0 BAADRO C[C@@H](C[NH+](C)C)NC(=O)NC(CO)CO ZINC000358525370 386972924 /nfs/dbraw/zinc/97/29/24/386972924.db2.gz NYWHMOPETSFJEX-ZETCQYMHSA-N 1 0 219.285 -1.411 20 0 BAADRO COCC[N@H+](C)CCNC(=O)C(=O)NC1CC1 ZINC000358560357 174275002 /nfs/dbraw/zinc/27/50/02/174275002.db2.gz KWUHBSSOXBUCKH-UHFFFAOYSA-N 1 0 243.307 -1.041 20 0 BAADRO C[NH+](C)CCn1nnnc1SC[C@H](O)CO ZINC000358566470 386981147 /nfs/dbraw/zinc/98/11/47/386981147.db2.gz FLRVRJOQRIFTJP-SSDOTTSWSA-N 1 0 247.324 -1.320 20 0 BAADRO C[NH+](C)CCn1nnnc1SC[C@@H](O)CO ZINC000358566474 386980680 /nfs/dbraw/zinc/98/06/80/386980680.db2.gz FLRVRJOQRIFTJP-ZETCQYMHSA-N 1 0 247.324 -1.320 20 0 BAADRO C[NH+]1CCC(O)(CNC(=O)c2nnc[nH]2)CC1 ZINC000358590784 388554613 /nfs/dbraw/zinc/55/46/13/388554613.db2.gz POKINBKWDRLRDR-UHFFFAOYSA-N 1 0 239.279 -1.009 20 0 BAADRO C[NH+](C)CC(=O)NCCN1CCNC(=O)C1 ZINC000358628533 386988971 /nfs/dbraw/zinc/98/89/71/386988971.db2.gz RDHSBINYYXYWFK-UHFFFAOYSA-N 1 0 228.296 -1.904 20 0 BAADRO C[C@H](CO)[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000358792540 387013267 /nfs/dbraw/zinc/01/32/67/387013267.db2.gz RNFUMDMRIUHMAH-BDAKNGLRSA-N 1 0 243.307 -1.449 20 0 BAADRO C[C@@H](CO)[C@@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000358792541 387013181 /nfs/dbraw/zinc/01/31/81/387013181.db2.gz RNFUMDMRIUHMAH-DTWKUNHWSA-N 1 0 243.307 -1.449 20 0 BAADRO C[C@@H](CO)[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000358792542 387014676 /nfs/dbraw/zinc/01/46/76/387014676.db2.gz RNFUMDMRIUHMAH-IUCAKERBSA-N 1 0 243.307 -1.449 20 0 BAADRO C[C@@H]([NH2+]CC(=O)N1CCNC(=O)C1)[C@H](C)CO ZINC000358792543 387013668 /nfs/dbraw/zinc/01/36/68/387013668.db2.gz RNFUMDMRIUHMAH-RKDXNWHRSA-N 1 0 243.307 -1.449 20 0 BAADRO NC(=O)NC(=O)C[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000358815673 181255364 /nfs/dbraw/zinc/25/53/64/181255364.db2.gz VWYVETSYKVRYAC-BQBZGAKWSA-N 1 0 242.279 -1.185 20 0 BAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000358815687 181256130 /nfs/dbraw/zinc/25/61/30/181256130.db2.gz VWYVETSYKVRYAC-NKWVEPMBSA-N 1 0 242.279 -1.185 20 0 BAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000358815688 181255492 /nfs/dbraw/zinc/25/54/92/181255492.db2.gz VWYVETSYKVRYAC-RNFRBKRXSA-N 1 0 242.279 -1.185 20 0 BAADRO NC(=O)NC(=O)C[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000358815690 181255608 /nfs/dbraw/zinc/25/56/08/181255608.db2.gz VWYVETSYKVRYAC-RQJHMYQMSA-N 1 0 242.279 -1.185 20 0 BAADRO CC[NH2+][C@H](C)CNC(=O)CN1CC(=O)NC1=O ZINC000358940384 170157710 /nfs/dbraw/zinc/15/77/10/170157710.db2.gz VRTJUQVXQLCSFY-SSDOTTSWSA-N 1 0 242.279 -1.348 20 0 BAADRO CC[NH2+][C@@H](C)CNC(=O)CN1CC(=O)NC1=O ZINC000358940391 170139069 /nfs/dbraw/zinc/13/90/69/170139069.db2.gz VRTJUQVXQLCSFY-ZETCQYMHSA-N 1 0 242.279 -1.348 20 0 BAADRO CCC[N@H+](C)CC(=O)NCCS(N)(=O)=O ZINC000359331970 169070290 /nfs/dbraw/zinc/07/02/90/169070290.db2.gz NDKGTAKWRKXHKL-UHFFFAOYSA-N 1 0 237.325 -1.267 20 0 BAADRO O=C([C@@H]1COCCN1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359377707 387094724 /nfs/dbraw/zinc/09/47/24/387094724.db2.gz KTUOSBAYJVNITC-AEJSXWLSSA-N 1 0 225.292 -1.347 20 0 BAADRO O=C([C@@H]1COCCN1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359377708 387094267 /nfs/dbraw/zinc/09/42/67/387094267.db2.gz KTUOSBAYJVNITC-BBBLOLIVSA-N 1 0 225.292 -1.347 20 0 BAADRO O=C([C@@H]1COCCN1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359377709 387094716 /nfs/dbraw/zinc/09/47/16/387094716.db2.gz KTUOSBAYJVNITC-GUBZILKMSA-N 1 0 225.292 -1.347 20 0 BAADRO O=C([C@H]1COCCN1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359377710 387094748 /nfs/dbraw/zinc/09/47/48/387094748.db2.gz KTUOSBAYJVNITC-KXUCPTDWSA-N 1 0 225.292 -1.347 20 0 BAADRO O=C(NC1CC1)C(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359437751 182094834 /nfs/dbraw/zinc/09/48/34/182094834.db2.gz LWTVQGABOZUELS-HTQZYQBOSA-N 1 0 223.276 -1.057 20 0 BAADRO O=C(NC1CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359437766 182094916 /nfs/dbraw/zinc/09/49/16/182094916.db2.gz LWTVQGABOZUELS-OCAPTIKFSA-N 1 0 223.276 -1.057 20 0 BAADRO O=C(NC1CC1)C(=O)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359437775 182094992 /nfs/dbraw/zinc/09/49/92/182094992.db2.gz LWTVQGABOZUELS-YUMQZZPRSA-N 1 0 223.276 -1.057 20 0 BAADRO CNC(=O)[C@H]1CN(C(=O)C[NH+](C)C)CCO1 ZINC000359656666 173308263 /nfs/dbraw/zinc/30/82/63/173308263.db2.gz IJAYOFPSBJAXJE-MRVPVSSYSA-N 1 0 229.280 -1.479 20 0 BAADRO CNC(=O)[C@@H]1CN(C(=O)C[NH+](C)C)CCO1 ZINC000359656668 173299815 /nfs/dbraw/zinc/29/98/15/173299815.db2.gz IJAYOFPSBJAXJE-QMMMGPOBSA-N 1 0 229.280 -1.479 20 0 BAADRO CN(C)S(=O)(=O)CCNC(=O)C[NH+](C)C ZINC000359800715 387164138 /nfs/dbraw/zinc/16/41/38/387164138.db2.gz PUQWCDYVNYWFIJ-UHFFFAOYSA-N 1 0 237.325 -1.444 20 0 BAADRO CC(C)[C@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000359817211 387169602 /nfs/dbraw/zinc/16/96/02/387169602.db2.gz XEBRLIUCVLPCHY-VIFPVBQESA-N 1 0 243.307 -1.449 20 0 BAADRO C[NH+]1CCC(NC(=O)NC(CO)CO)CC1 ZINC000359903908 387188171 /nfs/dbraw/zinc/18/81/71/387188171.db2.gz SOKBIDQNMSYBEB-UHFFFAOYSA-N 1 0 231.296 -1.267 20 0 BAADRO CN(CC[NH+](C)C)S(=O)(=O)c1cnnn1C ZINC000360040223 387221193 /nfs/dbraw/zinc/22/11/93/387221193.db2.gz SMTKTMTXLOWGKB-UHFFFAOYSA-N 1 0 247.324 -1.003 20 0 BAADRO COC(=O)[C@@H](CF)NC(=O)[C@H]1CN(C)CCO1 ZINC000360475192 387295520 /nfs/dbraw/zinc/29/55/20/387295520.db2.gz BQBPEAVPLGFYMB-HTQZYQBOSA-N 1 0 248.254 -1.056 20 0 BAADRO COC(=O)[C@H](CF)NC(=O)[C@H]1CN(C)CCO1 ZINC000360475194 387295970 /nfs/dbraw/zinc/29/59/70/387295970.db2.gz BQBPEAVPLGFYMB-JGVFFNPUSA-N 1 0 248.254 -1.056 20 0 BAADRO COC(=O)[C@@H](CF)NC(=O)[C@@H]1CN(C)CCO1 ZINC000360475195 387293114 /nfs/dbraw/zinc/29/31/14/387293114.db2.gz BQBPEAVPLGFYMB-SFYZADRCSA-N 1 0 248.254 -1.056 20 0 BAADRO COC(=O)[C@H](CF)NC(=O)[C@@H]1CN(C)CCO1 ZINC000360475197 387292400 /nfs/dbraw/zinc/29/24/00/387292400.db2.gz BQBPEAVPLGFYMB-YUMQZZPRSA-N 1 0 248.254 -1.056 20 0 BAADRO CCN(C)C(=O)C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000360493790 387298796 /nfs/dbraw/zinc/29/87/96/387298796.db2.gz ZENOJKRYBHNCBJ-DTWKUNHWSA-N 1 0 216.281 -1.108 20 0 BAADRO CCN(C)C(=O)C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000360493791 385020316 /nfs/dbraw/zinc/02/03/16/385020316.db2.gz ZENOJKRYBHNCBJ-IUCAKERBSA-N 1 0 216.281 -1.108 20 0 BAADRO C[C@@H](O)C[N@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000361019089 387390434 /nfs/dbraw/zinc/39/04/34/387390434.db2.gz WTJBNHGMOPDGGK-MRVPVSSYSA-N 1 0 241.291 -1.103 20 0 BAADRO C[C@H](O)C[N@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000361019090 387389038 /nfs/dbraw/zinc/38/90/38/387389038.db2.gz WTJBNHGMOPDGGK-QMMMGPOBSA-N 1 0 241.291 -1.103 20 0 BAADRO OCC[NH+](CCO)CCN1CCCOCC1 ZINC000361287878 183067058 /nfs/dbraw/zinc/06/70/58/183067058.db2.gz LRHCJGRCHSGULR-UHFFFAOYSA-N 1 0 232.324 -1.005 20 0 BAADRO CNC(=O)N[C@@H]1CC[N@@H+]([C@@H]2COC[C@@H]2O)C1 ZINC000361336320 173292049 /nfs/dbraw/zinc/29/20/49/173292049.db2.gz PGTMXNXVABHZKP-HLTSFMKQSA-N 1 0 229.280 -1.251 20 0 BAADRO CNC(=O)N[C@@H]1CC[N@@H+]([C@H]2COC[C@H]2O)C1 ZINC000361336321 173291769 /nfs/dbraw/zinc/29/17/69/173291769.db2.gz PGTMXNXVABHZKP-HRDYMLBCSA-N 1 0 229.280 -1.251 20 0 BAADRO CNC(=O)N[C@@H]1CC[N@@H+]([C@@H]2COC[C@H]2O)C1 ZINC000361336322 173291993 /nfs/dbraw/zinc/29/19/93/173291993.db2.gz PGTMXNXVABHZKP-IWSPIJDZSA-N 1 0 229.280 -1.251 20 0 BAADRO CNC(=O)N[C@@H]1CC[N@@H+]([C@H]2COC[C@@H]2O)C1 ZINC000361336323 173292026 /nfs/dbraw/zinc/29/20/26/173292026.db2.gz PGTMXNXVABHZKP-VGMNWLOBSA-N 1 0 229.280 -1.251 20 0 BAADRO CN(C)C(=O)NCC[N@H+](C)[C@@H]1COC[C@@H]1O ZINC000361356217 172379193 /nfs/dbraw/zinc/37/91/93/172379193.db2.gz PXAIJZWQCWHTSW-BDAKNGLRSA-N 1 0 231.296 -1.051 20 0 BAADRO CN(C)C(=O)NCC[N@H+](C)[C@H]1COC[C@H]1O ZINC000361356221 172379579 /nfs/dbraw/zinc/37/95/79/172379579.db2.gz PXAIJZWQCWHTSW-DTWKUNHWSA-N 1 0 231.296 -1.051 20 0 BAADRO CN(C)C(=O)NCC[N@H+](C)[C@H]1COC[C@@H]1O ZINC000361356222 172380043 /nfs/dbraw/zinc/38/00/43/172380043.db2.gz PXAIJZWQCWHTSW-IUCAKERBSA-N 1 0 231.296 -1.051 20 0 BAADRO CN(C)C(=O)NCC[N@H+](C)[C@@H]1COC[C@H]1O ZINC000361356223 172378488 /nfs/dbraw/zinc/37/84/88/172378488.db2.gz PXAIJZWQCWHTSW-RKDXNWHRSA-N 1 0 231.296 -1.051 20 0 BAADRO CO[C@H]1CCN(CC(=O)NC(N)=O)C1 ZINC000361373721 387450306 /nfs/dbraw/zinc/45/03/06/387450306.db2.gz TUMITJFWBDQTJE-LURJTMIESA-N 1 0 201.226 -1.098 20 0 BAADRO CO[C@@H]1CCN(CC(=O)NC(N)=O)C1 ZINC000361373722 387449596 /nfs/dbraw/zinc/44/95/96/387449596.db2.gz TUMITJFWBDQTJE-ZCFIWIBFSA-N 1 0 201.226 -1.098 20 0 BAADRO C[C@@H]1C[N@@H+]([C@@H]2COC[C@@H]2O)C[C@H]1C(N)=O ZINC000361380155 176315737 /nfs/dbraw/zinc/31/57/37/176315737.db2.gz WUPFTEBRBBRMFH-BGZDPUMWSA-N 1 0 214.265 -1.201 20 0 BAADRO C[C@@H]1C[N@@H+]([C@@H]2COC[C@H]2O)C[C@@H]1C(N)=O ZINC000361380156 176316834 /nfs/dbraw/zinc/31/68/34/176316834.db2.gz WUPFTEBRBBRMFH-BZNPZCIMSA-N 1 0 214.265 -1.201 20 0 BAADRO C[C@@H]1C[N@@H+]([C@@H]2COC[C@H]2O)C[C@H]1C(N)=O ZINC000361380157 176316806 /nfs/dbraw/zinc/31/68/06/176316806.db2.gz WUPFTEBRBBRMFH-FNCVBFRFSA-N 1 0 214.265 -1.201 20 0 BAADRO C[C@@H]1C[N@@H+]([C@@H]2COC[C@@H]2O)C[C@@H]1C(N)=O ZINC000361380158 176316119 /nfs/dbraw/zinc/31/61/19/176316119.db2.gz WUPFTEBRBBRMFH-XAVMHZPKSA-N 1 0 214.265 -1.201 20 0 BAADRO C[C@]1(C(N)=O)CC[N@@H+]([C@@H]2COC[C@H]2O)C1 ZINC000361387824 387452857 /nfs/dbraw/zinc/45/28/57/387452857.db2.gz BPXBQDPAXBBARU-MRTMQBJTSA-N 1 0 214.265 -1.057 20 0 BAADRO C[C@]1(C(N)=O)CC[N@@H+]([C@H]2COC[C@@H]2O)C1 ZINC000361387825 387453070 /nfs/dbraw/zinc/45/30/70/387453070.db2.gz BPXBQDPAXBBARU-NRPADANISA-N 1 0 214.265 -1.057 20 0 BAADRO C[C@]1(C(N)=O)CC[N@@H+]([C@@H]2COC[C@@H]2O)C1 ZINC000361387826 387452307 /nfs/dbraw/zinc/45/23/07/387452307.db2.gz BPXBQDPAXBBARU-WEDXCCLWSA-N 1 0 214.265 -1.057 20 0 BAADRO C[C@]1(C(N)=O)CC[N@@H+]([C@H]2COC[C@H]2O)C1 ZINC000361387827 387447738 /nfs/dbraw/zinc/44/77/38/387447738.db2.gz BPXBQDPAXBBARU-XKSSXDPKSA-N 1 0 214.265 -1.057 20 0 BAADRO CN(C)C(=O)COC1CN(C(=O)C[NH+](C)C)C1 ZINC000361493750 387472291 /nfs/dbraw/zinc/47/22/91/387472291.db2.gz VEGBRLFGXUXWEX-UHFFFAOYSA-N 1 0 243.307 -1.136 20 0 BAADRO COC(=O)CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)O ZINC000361504461 387473616 /nfs/dbraw/zinc/47/36/16/387473616.db2.gz AJOJPNDMISLHAC-HTQZYQBOSA-N 1 0 232.280 -1.023 20 0 BAADRO COC(=O)CNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)O ZINC000361504462 387473591 /nfs/dbraw/zinc/47/35/91/387473591.db2.gz AJOJPNDMISLHAC-JGVFFNPUSA-N 1 0 232.280 -1.023 20 0 BAADRO C[C@@]1(C(N)=O)CC[N@H+](CCNS(C)(=O)=O)C1 ZINC000361550085 387484811 /nfs/dbraw/zinc/48/48/11/387484811.db2.gz DDFYITHMDPIQGD-SECBINFHSA-N 1 0 249.336 -1.267 20 0 BAADRO C[C@]1(C(N)=O)CC[N@H+](CCNS(C)(=O)=O)C1 ZINC000361550086 387484082 /nfs/dbraw/zinc/48/40/82/387484082.db2.gz DDFYITHMDPIQGD-VIFPVBQESA-N 1 0 249.336 -1.267 20 0 BAADRO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000361555820 387486626 /nfs/dbraw/zinc/48/66/26/387486626.db2.gz CNJVARNCRJZNTP-LDWIPMOCSA-N 1 0 242.279 -1.233 20 0 BAADRO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000361555821 387486538 /nfs/dbraw/zinc/48/65/38/387486538.db2.gz CNJVARNCRJZNTP-LHLIQPBNSA-N 1 0 242.279 -1.233 20 0 BAADRO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000361555822 387486393 /nfs/dbraw/zinc/48/63/93/387486393.db2.gz CNJVARNCRJZNTP-QUBYGPBYSA-N 1 0 242.279 -1.233 20 0 BAADRO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000361555823 387487846 /nfs/dbraw/zinc/48/78/46/387487846.db2.gz CNJVARNCRJZNTP-WKEGUHRASA-N 1 0 242.279 -1.233 20 0 BAADRO CNC(=O)NC[C@](C)(O)CN1CCOCC1 ZINC000361863589 173291256 /nfs/dbraw/zinc/29/12/56/173291256.db2.gz OICHJKBRXRUGBI-JTQLQIEISA-N 1 0 231.296 -1.001 20 0 BAADRO CCO[C@@H]1COCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC000362026503 397979310 /nfs/dbraw/zinc/97/93/10/397979310.db2.gz MXQGIOHLSPGDKZ-HTQZYQBOSA-N 1 0 245.279 -1.035 20 0 BAADRO CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC000362026504 397979111 /nfs/dbraw/zinc/97/91/11/397979111.db2.gz MXQGIOHLSPGDKZ-JGVFFNPUSA-N 1 0 245.279 -1.035 20 0 BAADRO CCO[C@H]1COCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC000362026505 397979267 /nfs/dbraw/zinc/97/92/67/397979267.db2.gz MXQGIOHLSPGDKZ-SFYZADRCSA-N 1 0 245.279 -1.035 20 0 BAADRO CCO[C@H]1COCC[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC000362026506 170506515 /nfs/dbraw/zinc/50/65/15/170506515.db2.gz MXQGIOHLSPGDKZ-YUMQZZPRSA-N 1 0 245.279 -1.035 20 0 BAADRO CN(CCO)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000362081732 387569776 /nfs/dbraw/zinc/56/97/76/387569776.db2.gz YAKJTHJMILGCPM-JTQLQIEISA-N 1 0 227.308 -1.173 20 0 BAADRO CN(CCO)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000362081833 387569464 /nfs/dbraw/zinc/56/94/64/387569464.db2.gz YAKJTHJMILGCPM-SNVBAGLBSA-N 1 0 227.308 -1.173 20 0 BAADRO C[C@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CO ZINC000362083442 177243882 /nfs/dbraw/zinc/24/38/82/177243882.db2.gz ARHVCDJLAJNGML-BQBZGAKWSA-N 1 0 215.253 -1.259 20 0 BAADRO C[C@H]1C[N@H+](CC(=O)NC(N)=O)C[C@@H]1CO ZINC000362083443 177243342 /nfs/dbraw/zinc/24/33/42/177243342.db2.gz ARHVCDJLAJNGML-NKWVEPMBSA-N 1 0 215.253 -1.259 20 0 BAADRO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@@H]1CO ZINC000362083444 176283795 /nfs/dbraw/zinc/28/37/95/176283795.db2.gz ARHVCDJLAJNGML-RNFRBKRXSA-N 1 0 215.253 -1.259 20 0 BAADRO COC(=O)CNC(=O)C[N@@H+]1C[C@H](C)[C@@H](CO)C1 ZINC000362098977 387573706 /nfs/dbraw/zinc/57/37/06/387573706.db2.gz SHTZHFDFWUBMSA-DTWKUNHWSA-N 1 0 244.291 -1.164 20 0 BAADRO COC(=O)CNC(=O)C[N@@H+]1C[C@H](C)[C@H](CO)C1 ZINC000362098978 387573913 /nfs/dbraw/zinc/57/39/13/387573913.db2.gz SHTZHFDFWUBMSA-IUCAKERBSA-N 1 0 244.291 -1.164 20 0 BAADRO COC(=O)CNC(=O)C[N@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362098979 387573214 /nfs/dbraw/zinc/57/32/14/387573214.db2.gz SHTZHFDFWUBMSA-RKDXNWHRSA-N 1 0 244.291 -1.164 20 0 BAADRO O=C(CO)NC[C@@H]1CN(C2CC2)CCO1 ZINC000362121269 387576687 /nfs/dbraw/zinc/57/66/87/387576687.db2.gz ZNOLOBNXTPENOD-SECBINFHSA-N 1 0 214.265 -1.042 20 0 BAADRO O=C(CO)NC[C@H]1CN(C2CC2)CCO1 ZINC000362121273 387576315 /nfs/dbraw/zinc/57/63/15/387576315.db2.gz ZNOLOBNXTPENOD-VIFPVBQESA-N 1 0 214.265 -1.042 20 0 BAADRO C[NH+](C)CC(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000362357057 387600252 /nfs/dbraw/zinc/60/02/52/387600252.db2.gz CZOJIGHWULZDLU-MRVPVSSYSA-N 1 0 226.280 -1.216 20 0 BAADRO C[NH+](C)CC(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000362357058 387600605 /nfs/dbraw/zinc/60/06/05/387600605.db2.gz CZOJIGHWULZDLU-QMMMGPOBSA-N 1 0 226.280 -1.216 20 0 BAADRO COC(=O)[C@](C)(O)CNC(=O)C[NH+](C)C ZINC000362411155 387610667 /nfs/dbraw/zinc/61/06/67/387610667.db2.gz OEHXDLJIKGYUOO-SECBINFHSA-N 1 0 218.253 -1.412 20 0 BAADRO COC(=O)[C@@](C)(O)CNC(=O)C[NH+](C)C ZINC000362411162 387609802 /nfs/dbraw/zinc/60/98/02/387609802.db2.gz OEHXDLJIKGYUOO-VIFPVBQESA-N 1 0 218.253 -1.412 20 0 BAADRO COC(=O)[C@H](CO)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000362504277 387620687 /nfs/dbraw/zinc/62/06/87/387620687.db2.gz GLUUTIDDTVGCPQ-CIUDSAMLSA-N 1 0 244.291 -1.166 20 0 BAADRO COC(=O)[C@H](CO)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000362504278 387621155 /nfs/dbraw/zinc/62/11/55/387621155.db2.gz GLUUTIDDTVGCPQ-HLTSFMKQSA-N 1 0 244.291 -1.166 20 0 BAADRO COC(=O)[C@H](CO)NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000362504279 387621013 /nfs/dbraw/zinc/62/10/13/387621013.db2.gz GLUUTIDDTVGCPQ-VGMNWLOBSA-N 1 0 244.291 -1.166 20 0 BAADRO COC(=O)[C@H](CO)NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000362504280 387621704 /nfs/dbraw/zinc/62/17/04/387621704.db2.gz GLUUTIDDTVGCPQ-YIZRAAEISA-N 1 0 244.291 -1.166 20 0 BAADRO [NH3+]CCN1CCC[C@H](N2CCNCC2=O)C1 ZINC000362826882 181391551 /nfs/dbraw/zinc/39/15/51/181391551.db2.gz OSRTXVNLFYBELM-JTQLQIEISA-N 1 0 226.324 -1.159 20 0 BAADRO [NH3+]CCN1CCC[C@@H](N2CCNCC2=O)C1 ZINC000362826883 181391751 /nfs/dbraw/zinc/39/17/51/181391751.db2.gz OSRTXVNLFYBELM-SNVBAGLBSA-N 1 0 226.324 -1.159 20 0 BAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCOCC(N)=O ZINC000362882047 176272805 /nfs/dbraw/zinc/27/28/05/176272805.db2.gz DRCUQQRLKZGXLM-BDAKNGLRSA-N 1 0 243.307 -1.198 20 0 BAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCOCC(N)=O ZINC000362882048 177237536 /nfs/dbraw/zinc/23/75/36/177237536.db2.gz DRCUQQRLKZGXLM-DTWKUNHWSA-N 1 0 243.307 -1.198 20 0 BAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCOCC(N)=O ZINC000362882049 177233815 /nfs/dbraw/zinc/23/38/15/177233815.db2.gz DRCUQQRLKZGXLM-IUCAKERBSA-N 1 0 243.307 -1.198 20 0 BAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCOCC(N)=O ZINC000362882050 176275722 /nfs/dbraw/zinc/27/57/22/176275722.db2.gz DRCUQQRLKZGXLM-RKDXNWHRSA-N 1 0 243.307 -1.198 20 0 BAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCn1ncnn1 ZINC000362882886 176271933 /nfs/dbraw/zinc/27/19/33/176271933.db2.gz MNCVCUXJISFNQS-BDAKNGLRSA-N 1 0 238.295 -1.013 20 0 BAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCn1ncnn1 ZINC000362882887 177237346 /nfs/dbraw/zinc/23/73/46/177237346.db2.gz MNCVCUXJISFNQS-DTWKUNHWSA-N 1 0 238.295 -1.013 20 0 BAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCn1ncnn1 ZINC000362882888 177236649 /nfs/dbraw/zinc/23/66/49/177236649.db2.gz MNCVCUXJISFNQS-IUCAKERBSA-N 1 0 238.295 -1.013 20 0 BAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCn1ncnn1 ZINC000362882889 176275643 /nfs/dbraw/zinc/27/56/43/176275643.db2.gz MNCVCUXJISFNQS-RKDXNWHRSA-N 1 0 238.295 -1.013 20 0 BAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC(=O)NCCO ZINC000362913005 176271980 /nfs/dbraw/zinc/27/19/80/176271980.db2.gz OUNLSKFFUMFJIN-BDAKNGLRSA-N 1 0 243.307 -1.591 20 0 BAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC(=O)NCCO ZINC000362913006 177237944 /nfs/dbraw/zinc/23/79/44/177237944.db2.gz OUNLSKFFUMFJIN-DTWKUNHWSA-N 1 0 243.307 -1.591 20 0 BAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC(=O)NCCO ZINC000362913007 177233749 /nfs/dbraw/zinc/23/37/49/177233749.db2.gz OUNLSKFFUMFJIN-IUCAKERBSA-N 1 0 243.307 -1.591 20 0 BAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC(=O)NCCO ZINC000362913008 176276082 /nfs/dbraw/zinc/27/60/82/176276082.db2.gz OUNLSKFFUMFJIN-RKDXNWHRSA-N 1 0 243.307 -1.591 20 0 BAADRO CO[C@H](CNC(=O)C(=O)NCC[NH3+])C(C)C ZINC000362976916 388562211 /nfs/dbraw/zinc/56/22/11/388562211.db2.gz MRFUKDHIWGEOHF-MRVPVSSYSA-N 1 0 231.296 -1.152 20 0 BAADRO CO[C@@H](CNC(=O)C(=O)NCC[NH3+])C(C)C ZINC000362976917 388561475 /nfs/dbraw/zinc/56/14/75/388561475.db2.gz MRFUKDHIWGEOHF-QMMMGPOBSA-N 1 0 231.296 -1.152 20 0 BAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CN(C)NC1=O ZINC000362979653 176275415 /nfs/dbraw/zinc/27/54/15/176275415.db2.gz KFRMFMHTKHMGEM-HLTSFMKQSA-N 1 0 240.307 -1.355 20 0 BAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1CN(C)NC1=O ZINC000362979660 176271987 /nfs/dbraw/zinc/27/19/87/176271987.db2.gz KFRMFMHTKHMGEM-HRDYMLBCSA-N 1 0 240.307 -1.355 20 0 BAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1CN(C)NC1=O ZINC000362979662 176276213 /nfs/dbraw/zinc/27/62/13/176276213.db2.gz KFRMFMHTKHMGEM-IWSPIJDZSA-N 1 0 240.307 -1.355 20 0 BAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CN(C)NC1=O ZINC000362979664 176273094 /nfs/dbraw/zinc/27/30/94/176273094.db2.gz KFRMFMHTKHMGEM-VGMNWLOBSA-N 1 0 240.307 -1.355 20 0 BAADRO COC(=O)[C@H](O)CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000362990865 387683981 /nfs/dbraw/zinc/68/39/81/387683981.db2.gz QKLZESQWOIOBAI-DJLDLDEBSA-N 1 0 244.291 -1.166 20 0 BAADRO COC(=O)[C@H](O)CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000362990866 387684265 /nfs/dbraw/zinc/68/42/65/387684265.db2.gz QKLZESQWOIOBAI-HRDYMLBCSA-N 1 0 244.291 -1.166 20 0 BAADRO COC(=O)[C@H](O)CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000362990867 387683672 /nfs/dbraw/zinc/68/36/72/387683672.db2.gz QKLZESQWOIOBAI-IWSPIJDZSA-N 1 0 244.291 -1.166 20 0 BAADRO COC(=O)[C@H](O)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000362990868 387683614 /nfs/dbraw/zinc/68/36/14/387683614.db2.gz QKLZESQWOIOBAI-XHNCKOQMSA-N 1 0 244.291 -1.166 20 0 BAADRO O=C(CN1CCCOCC1)N1CCNC(=O)C1 ZINC000363374894 385182944 /nfs/dbraw/zinc/18/29/44/385182944.db2.gz IZJDRPCKYYKUGL-UHFFFAOYSA-N 1 0 241.291 -1.333 20 0 BAADRO COC(=O)CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000363746563 385554840 /nfs/dbraw/zinc/55/48/40/385554840.db2.gz CPJFFOBEXUQRLM-MRVPVSSYSA-N 1 0 204.201 -1.023 20 0 BAADRO COC(=O)CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000363746573 384887762 /nfs/dbraw/zinc/88/77/62/384887762.db2.gz CPJFFOBEXUQRLM-QMMMGPOBSA-N 1 0 204.201 -1.023 20 0 BAADRO O=C(C[N@H+]1C[C@@H](O)C2(CC2)C1)N1CCNC1=O ZINC000364441290 385443877 /nfs/dbraw/zinc/44/38/77/385443877.db2.gz JPWLZMYXRYTYNP-MRVPVSSYSA-N 1 0 239.275 -1.005 20 0 BAADRO O=C(C[N@H+]1C[C@H](O)C2(CC2)C1)N1CCNC1=O ZINC000364441291 385442517 /nfs/dbraw/zinc/44/25/17/385442517.db2.gz JPWLZMYXRYTYNP-QMMMGPOBSA-N 1 0 239.275 -1.005 20 0 BAADRO C[C@H](CO)[N@@H+]1CCCN(S(N)(=O)=O)CC1 ZINC000365001189 397933061 /nfs/dbraw/zinc/93/30/61/397933061.db2.gz SDUPQUQHEXLZIU-MRVPVSSYSA-N 1 0 237.325 -1.422 20 0 BAADRO C[C@@H](CO)[N@@H+]1CCCN(S(N)(=O)=O)CC1 ZINC000365001190 397932855 /nfs/dbraw/zinc/93/28/55/397932855.db2.gz SDUPQUQHEXLZIU-QMMMGPOBSA-N 1 0 237.325 -1.422 20 0 BAADRO CNS(=O)(=O)[C@@H]1CCN(C(=O)C2C[NH2+]C2)C1 ZINC000365016267 411132028 /nfs/dbraw/zinc/13/20/28/411132028.db2.gz LOFWKAALQYBYIY-MRVPVSSYSA-N 1 0 247.320 -1.644 20 0 BAADRO CNS(=O)(=O)[C@H]1CCN(C(=O)C2C[NH2+]C2)C1 ZINC000365016268 411131796 /nfs/dbraw/zinc/13/17/96/411131796.db2.gz LOFWKAALQYBYIY-QMMMGPOBSA-N 1 0 247.320 -1.644 20 0 BAADRO O=C(NC[C@H]1CN2CCN1CC2)C1C[NH2+]C1 ZINC000365018828 182245853 /nfs/dbraw/zinc/24/58/53/182245853.db2.gz PDXDOIBRLAOXLW-JTQLQIEISA-N 1 0 224.308 -1.678 20 0 BAADRO O=C(NC[C@@H]1CN2CCN1CC2)C1C[NH2+]C1 ZINC000365018838 182228043 /nfs/dbraw/zinc/22/80/43/182228043.db2.gz PDXDOIBRLAOXLW-SNVBAGLBSA-N 1 0 224.308 -1.678 20 0 BAADRO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2CC(=O)N(C)C2)C1 ZINC000365157565 388564620 /nfs/dbraw/zinc/56/46/20/388564620.db2.gz UMJHSPVVGZVZGH-HRDYMLBCSA-N 1 0 241.291 -1.290 20 0 BAADRO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2CC(=O)N(C)C2)C1 ZINC000365158044 388563924 /nfs/dbraw/zinc/56/39/24/388563924.db2.gz UMJHSPVVGZVZGH-XHNCKOQMSA-N 1 0 241.291 -1.290 20 0 BAADRO C[N@H+]1C[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C1 ZINC000365465283 173198270 /nfs/dbraw/zinc/19/82/70/173198270.db2.gz WHFUAGFPVZALOO-DTORHVGOSA-N 1 0 236.279 -1.307 20 0 BAADRO COC(=O)[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])C(C)C)CN1 ZINC000365757434 385737853 /nfs/dbraw/zinc/73/78/53/385737853.db2.gz IKYUBPWVBZRRKZ-YIZRAAEISA-N 1 0 243.307 -1.011 20 0 BAADRO COCC[C@@H]1COCCN1CC(=O)NC(N)=O ZINC000365840025 174398345 /nfs/dbraw/zinc/39/83/45/174398345.db2.gz WNKWIZAVZPMQAH-MRVPVSSYSA-N 1 0 245.279 -1.081 20 0 BAADRO COCC[C@H]1COCCN1CC(=O)NC(N)=O ZINC000365840036 385823628 /nfs/dbraw/zinc/82/36/28/385823628.db2.gz WNKWIZAVZPMQAH-QMMMGPOBSA-N 1 0 245.279 -1.081 20 0 BAADRO COCCN(C)S(=O)(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000366284300 174281963 /nfs/dbraw/zinc/28/19/63/174281963.db2.gz KCYJJHJRFWORMP-BRPSZJMVSA-N 1 0 249.336 -1.383 20 0 BAADRO O=C([C@H]1COCCN1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000366526447 386735220 /nfs/dbraw/zinc/73/52/20/386735220.db2.gz OLIYKHBLSFARAO-IVZWLZJFSA-N 1 0 225.292 -1.205 20 0 BAADRO O=C([C@@H]1COCCN1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000366526448 386735349 /nfs/dbraw/zinc/73/53/49/386735349.db2.gz OLIYKHBLSFARAO-LPEHRKFASA-N 1 0 225.292 -1.205 20 0 BAADRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1COCCN1 ZINC000366552157 182229602 /nfs/dbraw/zinc/22/96/02/182229602.db2.gz BTVKDWMDUAKXSL-CIUDSAMLSA-N 1 0 231.271 -1.209 20 0 BAADRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1COCCN1 ZINC000366552162 182229687 /nfs/dbraw/zinc/22/96/87/182229687.db2.gz BTVKDWMDUAKXSL-XHNCKOQMSA-N 1 0 231.271 -1.209 20 0 BAADRO CCN(C)S(=O)(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000366981990 386282201 /nfs/dbraw/zinc/28/22/01/386282201.db2.gz LZIUVVJBUPLVHI-BDAKNGLRSA-N 1 0 249.336 -1.145 20 0 BAADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CC(O)C1 ZINC000367023271 136039872 /nfs/dbraw/zinc/03/98/72/136039872.db2.gz XAKADJMSCBLEGT-JTQLQIEISA-N 1 0 225.292 -1.421 20 0 BAADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CC(O)C1 ZINC000367023273 136039929 /nfs/dbraw/zinc/03/99/29/136039929.db2.gz XAKADJMSCBLEGT-SNVBAGLBSA-N 1 0 225.292 -1.421 20 0 BAADRO CNS(=O)(=O)N1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000367150908 387177766 /nfs/dbraw/zinc/17/77/66/387177766.db2.gz KMFNNDVDJYOIHG-OCAPTIKFSA-N 1 0 219.310 -1.056 20 0 BAADRO CCNS(=O)(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000367169095 170133594 /nfs/dbraw/zinc/13/35/94/170133594.db2.gz AYHFJEHWZGCLMY-SFYZADRCSA-N 1 0 235.309 -1.487 20 0 BAADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Cn1cnnn1 ZINC000367376133 173371519 /nfs/dbraw/zinc/37/15/19/173371519.db2.gz ZEJZOCJNYFSEQS-YUMQZZPRSA-N 1 0 242.258 -1.169 20 0 BAADRO O=C(N1CCN(CCO)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000367496066 182080965 /nfs/dbraw/zinc/08/09/65/182080965.db2.gz BPCJIDVOPCBHHV-LLVKDONJSA-N 1 0 245.298 -1.176 20 0 BAADRO O=C(N1CCN(CCO)CC1)[C@]1(F)CC[NH2+]C1 ZINC000367496067 182081076 /nfs/dbraw/zinc/08/10/76/182081076.db2.gz BPCJIDVOPCBHHV-NSHDSACASA-N 1 0 245.298 -1.176 20 0 BAADRO O=C([C@@H]1CC12C[NH2+]C2)N1CCN(CCO)CC1 ZINC000367498586 387715291 /nfs/dbraw/zinc/71/52/91/387715291.db2.gz VHULDKGPXHBQJO-JTQLQIEISA-N 1 0 239.319 -1.268 20 0 BAADRO O=C([C@H]1CC12C[NH2+]C2)N1CCN(CCO)CC1 ZINC000367498587 387716900 /nfs/dbraw/zinc/71/69/00/387716900.db2.gz VHULDKGPXHBQJO-SNVBAGLBSA-N 1 0 239.319 -1.268 20 0 BAADRO CNS(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000367560084 387728433 /nfs/dbraw/zinc/72/84/33/387728433.db2.gz TUBFTMLZRFVMSI-BDAKNGLRSA-N 1 0 249.336 -1.097 20 0 BAADRO CNS(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000367560085 387727992 /nfs/dbraw/zinc/72/79/92/387727992.db2.gz TUBFTMLZRFVMSI-DTWKUNHWSA-N 1 0 249.336 -1.097 20 0 BAADRO CNS(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000367560086 387728605 /nfs/dbraw/zinc/72/86/05/387728605.db2.gz TUBFTMLZRFVMSI-IUCAKERBSA-N 1 0 249.336 -1.097 20 0 BAADRO CNS(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000367560087 387726886 /nfs/dbraw/zinc/72/68/86/387726886.db2.gz TUBFTMLZRFVMSI-RKDXNWHRSA-N 1 0 249.336 -1.097 20 0 BAADRO O=C(C1C[NH2+]C1)N1CCN2C(=O)OC[C@H]2C1 ZINC000367813404 385826740 /nfs/dbraw/zinc/82/67/40/385826740.db2.gz ZVMBJKIXLHOJRD-MRVPVSSYSA-N 1 0 225.248 -1.131 20 0 BAADRO O=C(C1C[NH2+]C1)N1CCN2C(=O)OC[C@@H]2C1 ZINC000367813405 181872618 /nfs/dbraw/zinc/87/26/18/181872618.db2.gz ZVMBJKIXLHOJRD-QMMMGPOBSA-N 1 0 225.248 -1.131 20 0 BAADRO C[C@@H]1CC(=O)NCCN1C(=O)C1C[NH2+]C1 ZINC000367819045 176049369 /nfs/dbraw/zinc/04/93/69/176049369.db2.gz KNJYZGHMXOIPET-SSDOTTSWSA-N 1 0 211.265 -1.057 20 0 BAADRO C[C@H]1CC(=O)NCCN1C(=O)C1C[NH2+]C1 ZINC000367819046 177062138 /nfs/dbraw/zinc/06/21/38/177062138.db2.gz KNJYZGHMXOIPET-ZETCQYMHSA-N 1 0 211.265 -1.057 20 0 BAADRO CN1CCO[C@@H]2CN(C(=O)C3C[NH2+]C3)C[C@@H]21 ZINC000368112166 173105185 /nfs/dbraw/zinc/10/51/85/173105185.db2.gz BXQWRNKLGRJKCV-VHSXEESVSA-N 1 0 225.292 -1.253 20 0 BAADRO CNC(=O)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000368242665 173214076 /nfs/dbraw/zinc/21/40/76/173214076.db2.gz JLIBUEIXGDWWTK-BQBZGAKWSA-N 1 0 215.253 -2.134 20 0 BAADRO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1=O ZINC000368363551 173191360 /nfs/dbraw/zinc/19/13/60/173191360.db2.gz SPQIMGCIOVWJTL-ODXREFDESA-N 1 0 223.276 -1.201 20 0 BAADRO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1=O ZINC000368363552 173181010 /nfs/dbraw/zinc/18/10/10/173181010.db2.gz SPQIMGCIOVWJTL-QHOPCYEYSA-N 1 0 223.276 -1.201 20 0 BAADRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1CNC(=O)C1 ZINC000368368993 386967818 /nfs/dbraw/zinc/96/78/18/386967818.db2.gz GJCZZSLFMBYXDI-CSMHCCOUSA-N 1 0 229.255 -1.061 20 0 BAADRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CNC(=O)C1 ZINC000368368994 386967177 /nfs/dbraw/zinc/96/71/77/386967177.db2.gz GJCZZSLFMBYXDI-FXQIFTODSA-N 1 0 229.255 -1.061 20 0 BAADRO COCCNC(=O)CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000368458511 174321253 /nfs/dbraw/zinc/32/12/53/174321253.db2.gz NKOJYNMAYUCRBD-JTQLQIEISA-N 1 0 247.270 -1.433 20 0 BAADRO COCCNC(=O)CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000368458512 174320879 /nfs/dbraw/zinc/32/08/79/174320879.db2.gz NKOJYNMAYUCRBD-SNVBAGLBSA-N 1 0 247.270 -1.433 20 0 BAADRO O=C(Cn1cnnn1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368644881 182074044 /nfs/dbraw/zinc/07/40/44/182074044.db2.gz FCDVNKFJQNCLQM-BQBZGAKWSA-N 1 0 228.231 -1.511 20 0 BAADRO CCS(=O)(=O)N[C@@H]1CN[C@@H](C(=O)OC)C1 ZINC000369100000 398249524 /nfs/dbraw/zinc/24/95/24/398249524.db2.gz LQKCEFXMPBGDMK-NKWVEPMBSA-N 1 0 236.293 -1.171 20 0 BAADRO NS(=O)(=O)N1CCC[N@H+](CCCO)CC1 ZINC000369138898 387028621 /nfs/dbraw/zinc/02/86/21/387028621.db2.gz XYTDFAJNHCXRRW-UHFFFAOYSA-N 1 0 237.325 -1.420 20 0 BAADRO C[C@@H](O)C[N@@H+]1CCCN(S(N)(=O)=O)CC1 ZINC000369388630 175972142 /nfs/dbraw/zinc/97/21/42/175972142.db2.gz HCVFUJSHMJHYJB-MRVPVSSYSA-N 1 0 237.325 -1.422 20 0 BAADRO C[C@H](O)C[N@@H+]1CCCN(S(N)(=O)=O)CC1 ZINC000369388631 387041113 /nfs/dbraw/zinc/04/11/13/387041113.db2.gz HCVFUJSHMJHYJB-QMMMGPOBSA-N 1 0 237.325 -1.422 20 0 BAADRO C[C@H](CO)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000371241673 388863910 /nfs/dbraw/zinc/86/39/10/388863910.db2.gz JPGOXYZSEFSXFL-NXEZZACHSA-N 1 0 227.308 -1.127 20 0 BAADRO C[C@@H](CO)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000371241676 388863934 /nfs/dbraw/zinc/86/39/34/388863934.db2.gz JPGOXYZSEFSXFL-UWVGGRQHSA-N 1 0 227.308 -1.127 20 0 BAADRO C[C@@H](CO)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000371241678 388864054 /nfs/dbraw/zinc/86/40/54/388864054.db2.gz JPGOXYZSEFSXFL-VHSXEESVSA-N 1 0 227.308 -1.127 20 0 BAADRO C[C@H](CO)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000371241679 388863780 /nfs/dbraw/zinc/86/37/80/388863780.db2.gz JPGOXYZSEFSXFL-ZJUUUORDSA-N 1 0 227.308 -1.127 20 0 BAADRO CNC(=O)NC(=O)CN1C[C@@H](O)C2(CC2)C1 ZINC000372357881 173287214 /nfs/dbraw/zinc/28/72/14/173287214.db2.gz MBARLEIJVONEHE-SSDOTTSWSA-N 1 0 227.264 -1.101 20 0 BAADRO COC(=O)[C@]12C[N@H+](CC(N)=O)C[C@H]1COCC2 ZINC000373603595 385633088 /nfs/dbraw/zinc/63/30/88/385633088.db2.gz KDJKUEOSPMCBMU-GZMMTYOYSA-N 1 0 242.275 -1.017 20 0 BAADRO NC(=O)NC(=O)CN1CCCC[C@H]1C(=[NH2+])NO ZINC000374171185 181200274 /nfs/dbraw/zinc/20/02/74/181200274.db2.gz DUQPECSCHLRXAS-LURJTMIESA-N 1 0 243.267 -1.008 20 0 BAADRO NC(=O)NC(=O)CN1CCCC[C@@H]1C(=[NH2+])NO ZINC000374171189 181200297 /nfs/dbraw/zinc/20/02/97/181200297.db2.gz DUQPECSCHLRXAS-ZCFIWIBFSA-N 1 0 243.267 -1.008 20 0 BAADRO O=C(NC1CC1)C(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000374514641 182094912 /nfs/dbraw/zinc/09/49/12/182094912.db2.gz PFKZJUOSXFSONA-BDAKNGLRSA-N 1 0 239.275 -1.536 20 0 BAADRO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1CC(F)(F)CN1 ZINC000375419281 188431823 /nfs/dbraw/zinc/43/18/23/188431823.db2.gz FOZDMTPMZVBXNW-BIIVOSGPSA-N 1 0 249.261 -1.320 20 0 BAADRO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1CC(F)(F)CN1 ZINC000375419282 188077859 /nfs/dbraw/zinc/07/78/59/188077859.db2.gz FOZDMTPMZVBXNW-FXQIFTODSA-N 1 0 249.261 -1.320 20 0 BAADRO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1CC(F)(F)CN1 ZINC000375419283 387538894 /nfs/dbraw/zinc/53/88/94/387538894.db2.gz FOZDMTPMZVBXNW-RNJXMRFFSA-N 1 0 249.261 -1.320 20 0 BAADRO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@H]1CC(F)(F)CN1 ZINC000375419284 182229296 /nfs/dbraw/zinc/22/92/96/182229296.db2.gz FOZDMTPMZVBXNW-XLPZGREQSA-N 1 0 249.261 -1.320 20 0 BAADRO O=C(Cn1cnnn1)N1CC[NH+]2CCC1CC2 ZINC000375502744 182073653 /nfs/dbraw/zinc/07/36/53/182073653.db2.gz WGRFJTGUIWEKTL-UHFFFAOYSA-N 1 0 236.279 -1.020 20 0 BAADRO O=C([C@H]1CNC(=O)C1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000375992244 387598379 /nfs/dbraw/zinc/59/83/79/387598379.db2.gz NSBGPFGPJMAPAM-HLTSFMKQSA-N 1 0 239.275 -1.678 20 0 BAADRO O=C([C@@H]1CNC(=O)C1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000375992249 387598959 /nfs/dbraw/zinc/59/89/59/387598959.db2.gz NSBGPFGPJMAPAM-YIZRAAEISA-N 1 0 239.275 -1.678 20 0 BAADRO CC(C)NS(=O)(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000376061242 167125443 /nfs/dbraw/zinc/12/54/43/167125443.db2.gz GAVVCUDWIDYWNN-BDAKNGLRSA-N 1 0 249.336 -1.098 20 0 BAADRO NS(=O)(=O)N1CCC[N@@H+]([C@@H]2CCOC2)CC1 ZINC000376202528 398026399 /nfs/dbraw/zinc/02/63/99/398026399.db2.gz BDLSPNDFDDUDQN-SECBINFHSA-N 1 0 249.336 -1.014 20 0 BAADRO NS(=O)(=O)N1CCC[N@@H+]([C@H]2CCOC2)CC1 ZINC000376202529 398026266 /nfs/dbraw/zinc/02/62/66/398026266.db2.gz BDLSPNDFDDUDQN-VIFPVBQESA-N 1 0 249.336 -1.014 20 0 BAADRO O=C(NCCCO)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000376805383 182171115 /nfs/dbraw/zinc/17/11/15/182171115.db2.gz VALIRVSCJYRNTI-JTQLQIEISA-N 1 0 227.308 -1.125 20 0 BAADRO O=C(NCCCO)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000376805386 182171121 /nfs/dbraw/zinc/17/11/21/182171121.db2.gz VALIRVSCJYRNTI-SNVBAGLBSA-N 1 0 227.308 -1.125 20 0 BAADRO CNC(=O)CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000377808493 173276432 /nfs/dbraw/zinc/27/64/32/173276432.db2.gz GLSOBGPNFOGRJZ-SECBINFHSA-N 1 0 243.307 -1.042 20 0 BAADRO CNC(=O)CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000377808494 173276349 /nfs/dbraw/zinc/27/63/49/173276349.db2.gz GLSOBGPNFOGRJZ-VIFPVBQESA-N 1 0 243.307 -1.042 20 0 BAADRO CN(C)C(=O)CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000378660837 388480284 /nfs/dbraw/zinc/48/02/84/388480284.db2.gz BBVLUBRETMDEDE-PRJMDXOYSA-N 1 0 211.265 -1.059 20 0 BAADRO Cn1ncc(CNC[C@@]2(O)CC[N@H+](C)C2)n1 ZINC000378663030 712356293 /nfs/dbraw/zinc/35/62/93/712356293.db2.gz AWRIXIOCLZZUQS-JTQLQIEISA-N 1 0 225.296 -1.029 20 0 BAADRO Cn1ncc(CNC[C@]2(O)CC[N@H+](C)C2)n1 ZINC000378663031 712356595 /nfs/dbraw/zinc/35/65/95/712356595.db2.gz AWRIXIOCLZZUQS-SNVBAGLBSA-N 1 0 225.296 -1.029 20 0 BAADRO CCNC(=O)CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000378697133 388482625 /nfs/dbraw/zinc/48/26/25/388482625.db2.gz LPCGRMUSGHPJKH-PRJMDXOYSA-N 1 0 211.265 -1.011 20 0 BAADRO CNC(=O)CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000378753114 385494726 /nfs/dbraw/zinc/49/47/26/385494726.db2.gz WEJGTWQYDLHCTF-PRJMDXOYSA-N 1 0 211.265 -1.011 20 0 BAADRO CN(C)S(=O)(=O)CCN(C)CC[NH3+] ZINC000379348109 360717359 /nfs/dbraw/zinc/71/73/59/360717359.db2.gz JICCRKWTOUOCOE-UHFFFAOYSA-N 1 0 209.315 -1.232 20 0 BAADRO C[NH+](C)CCNC(=S)NNC(N)=S ZINC000379383709 712380426 /nfs/dbraw/zinc/38/04/26/712380426.db2.gz LGABIEBFXURDHC-UHFFFAOYSA-N 1 0 221.355 -1.240 20 0 BAADRO C[C@@H](CO)C[N@H+](C)CCS(N)(=O)=O ZINC000379399891 712382720 /nfs/dbraw/zinc/38/27/20/712382720.db2.gz HSSORPAHQGDQJP-SSDOTTSWSA-N 1 0 210.299 -1.165 20 0 BAADRO C[C@H](CO)C[N@H+](C)CCS(N)(=O)=O ZINC000379399892 712382420 /nfs/dbraw/zinc/38/24/20/712382420.db2.gz HSSORPAHQGDQJP-ZETCQYMHSA-N 1 0 210.299 -1.165 20 0 BAADRO C[C@@H]1[NH2+]CCN(CC(=O)NC(N)=O)[C@H]1C ZINC000379433419 358487884 /nfs/dbraw/zinc/48/78/84/358487884.db2.gz KJUBZZQLYLQMFH-BQBZGAKWSA-N 1 0 214.269 -1.137 20 0 BAADRO C[C@@H]1[C@H](C)[NH2+]CCN1CC(=O)NC(N)=O ZINC000379433422 358487888 /nfs/dbraw/zinc/48/78/88/358487888.db2.gz KJUBZZQLYLQMFH-NKWVEPMBSA-N 1 0 214.269 -1.137 20 0 BAADRO C[C@H]1[NH2+]CCN(CC(=O)NC(N)=O)[C@@H]1C ZINC000379433423 358487868 /nfs/dbraw/zinc/48/78/68/358487868.db2.gz KJUBZZQLYLQMFH-RNFRBKRXSA-N 1 0 214.269 -1.137 20 0 BAADRO C[C@H]1[NH2+]CCN(CC(=O)NC(N)=O)[C@H]1C ZINC000379433424 358487822 /nfs/dbraw/zinc/48/78/22/358487822.db2.gz KJUBZZQLYLQMFH-RQJHMYQMSA-N 1 0 214.269 -1.137 20 0 BAADRO CC(C)[C@](C)([NH2+]C[C@@H](O)CO)C(N)=O ZINC000379492993 712386175 /nfs/dbraw/zinc/38/61/75/712386175.db2.gz TYUPOGLIWIGGCH-APPZFPTMSA-N 1 0 204.270 -1.171 20 0 BAADRO CC(C)[C@](C)([NH2+]C[C@H](O)CO)C(N)=O ZINC000379492994 712386094 /nfs/dbraw/zinc/38/60/94/712386094.db2.gz TYUPOGLIWIGGCH-CBAPKCEASA-N 1 0 204.270 -1.171 20 0 BAADRO CC(C)[C@@](C)([NH2+]C[C@H](O)CO)C(N)=O ZINC000379492995 712386101 /nfs/dbraw/zinc/38/61/01/712386101.db2.gz TYUPOGLIWIGGCH-IONNQARKSA-N 1 0 204.270 -1.171 20 0 BAADRO CC(C)[C@@](C)([NH2+]C[C@@H](O)CO)C(N)=O ZINC000379492996 712386264 /nfs/dbraw/zinc/38/62/64/712386264.db2.gz TYUPOGLIWIGGCH-VXNVDRBHSA-N 1 0 204.270 -1.171 20 0 BAADRO CC[N@H+](C)C[C@H](O)CNC(CO)CO ZINC000379501697 358514837 /nfs/dbraw/zinc/51/48/37/358514837.db2.gz JVSIIGVZQDMMHD-SECBINFHSA-N 1 0 206.286 -1.758 20 0 BAADRO CC[N@H+](C)C[C@@H](O)CNC(CO)CO ZINC000379501700 358515166 /nfs/dbraw/zinc/51/51/66/358515166.db2.gz JVSIIGVZQDMMHD-VIFPVBQESA-N 1 0 206.286 -1.758 20 0 BAADRO COC[C@H](O)C[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000379535023 398151090 /nfs/dbraw/zinc/15/10/90/398151090.db2.gz LFLYGRFQVNCCRS-HTQZYQBOSA-N 1 0 202.254 -1.186 20 0 BAADRO COC[C@H](O)C[NH2+][C@H]1CC(=O)N(C)C1 ZINC000379535038 398151529 /nfs/dbraw/zinc/15/15/29/398151529.db2.gz LFLYGRFQVNCCRS-JGVFFNPUSA-N 1 0 202.254 -1.186 20 0 BAADRO COC[C@@H](O)C[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000379535041 359539275 /nfs/dbraw/zinc/53/92/75/359539275.db2.gz LFLYGRFQVNCCRS-SFYZADRCSA-N 1 0 202.254 -1.186 20 0 BAADRO COC[C@@H](O)C[NH2+][C@H]1CC(=O)N(C)C1 ZINC000379535045 359538898 /nfs/dbraw/zinc/53/88/98/359538898.db2.gz LFLYGRFQVNCCRS-YUMQZZPRSA-N 1 0 202.254 -1.186 20 0 BAADRO CC[C@@H](CO)[NH2+]CCC(=O)NC(N)=O ZINC000379538550 359540175 /nfs/dbraw/zinc/54/01/75/359540175.db2.gz NFCDELRXWDWLHQ-LURJTMIESA-N 1 0 203.242 -1.068 20 0 BAADRO CC[C@H](CO)[NH2+]CCC(=O)NC(N)=O ZINC000379538551 359540183 /nfs/dbraw/zinc/54/01/83/359540183.db2.gz NFCDELRXWDWLHQ-ZCFIWIBFSA-N 1 0 203.242 -1.068 20 0 BAADRO CN1C[C@H]([NH2+]CCS(C)(=O)=O)CC1=O ZINC000379541041 711803285 /nfs/dbraw/zinc/80/32/85/711803285.db2.gz PNCQNHFHUZKLCV-SSDOTTSWSA-N 1 0 220.294 -1.149 20 0 BAADRO CN1C[C@@H]([NH2+]CCS(C)(=O)=O)CC1=O ZINC000379541042 712387794 /nfs/dbraw/zinc/38/77/94/712387794.db2.gz PNCQNHFHUZKLCV-ZETCQYMHSA-N 1 0 220.294 -1.149 20 0 BAADRO CN(C)S(=O)(=O)CCN1CC[C@@H]([NH3+])C1 ZINC000379564243 361087734 /nfs/dbraw/zinc/08/77/34/361087734.db2.gz ATYGZZRLEZAHSO-MRVPVSSYSA-N 1 0 221.326 -1.089 20 0 BAADRO C[C@@H]([NH3+])CN(C)CCNS(C)(=O)=O ZINC000379571580 712388131 /nfs/dbraw/zinc/38/81/31/712388131.db2.gz FKJZVKYAIDXFMN-SSDOTTSWSA-N 1 0 209.315 -1.185 20 0 BAADRO C[C@H]([NH3+])CN(C)CCNS(C)(=O)=O ZINC000379571583 712388130 /nfs/dbraw/zinc/38/81/30/712388130.db2.gz FKJZVKYAIDXFMN-ZETCQYMHSA-N 1 0 209.315 -1.185 20 0 BAADRO CN(C)S(=O)(=O)CCN(C)C1C[NH2+]C1 ZINC000379585809 361108796 /nfs/dbraw/zinc/10/87/96/361108796.db2.gz QBJNPKASHUGEDR-UHFFFAOYSA-N 1 0 221.326 -1.219 20 0 BAADRO COC(=O)[C@@H](O)C[NH2+]C[C@@H](O)C1CC1 ZINC000379598584 712389819 /nfs/dbraw/zinc/38/98/19/712389819.db2.gz HRMPSKJIFXFSCV-SFYZADRCSA-N 1 0 203.238 -1.119 20 0 BAADRO COC(=O)[C@@H](O)C[NH2+]C[C@H](O)C1CC1 ZINC000379598586 712389847 /nfs/dbraw/zinc/38/98/47/712389847.db2.gz HRMPSKJIFXFSCV-YUMQZZPRSA-N 1 0 203.238 -1.119 20 0 BAADRO CN(C)S(=O)(=O)CC[NH2+]C(CO)CO ZINC000379610926 359566182 /nfs/dbraw/zinc/56/61/82/359566182.db2.gz UCOYJKFXMMSUCK-UHFFFAOYSA-N 1 0 226.298 -2.179 20 0 BAADRO NC(=O)C1([NH2+]C[C@@H](O)CO)CCCC1 ZINC000379649019 711805652 /nfs/dbraw/zinc/80/56/52/711805652.db2.gz CCBQFZYCLMVBLL-SSDOTTSWSA-N 1 0 202.254 -1.273 20 0 BAADRO NC(=O)C1([NH2+]C[C@H](O)CO)CCCC1 ZINC000379649020 711805690 /nfs/dbraw/zinc/80/56/90/711805690.db2.gz CCBQFZYCLMVBLL-ZETCQYMHSA-N 1 0 202.254 -1.273 20 0 BAADRO CC[C@@H](CO)[NH2+]CC(=O)NC(=O)NC ZINC000379650262 712391628 /nfs/dbraw/zinc/39/16/28/712391628.db2.gz DTHNXTZFSFGINZ-LURJTMIESA-N 1 0 203.242 -1.198 20 0 BAADRO CC[C@H](CO)[NH2+]CC(=O)NC(=O)NC ZINC000379650265 712391517 /nfs/dbraw/zinc/39/15/17/712391517.db2.gz DTHNXTZFSFGINZ-ZCFIWIBFSA-N 1 0 203.242 -1.198 20 0 BAADRO C[C@@]1(C(=O)NCCn2ncnn2)CC[NH2+]C1 ZINC000379766402 363892848 /nfs/dbraw/zinc/89/28/48/363892848.db2.gz IOBXXJYROAVBBY-SECBINFHSA-N 1 0 224.268 -1.211 20 0 BAADRO C[C@]1(C(=O)NCCn2ncnn2)CC[NH2+]C1 ZINC000379766403 363892505 /nfs/dbraw/zinc/89/25/05/363892505.db2.gz IOBXXJYROAVBBY-VIFPVBQESA-N 1 0 224.268 -1.211 20 0 BAADRO C[N@H+](C[C@@H](O)CNC(CO)CO)C1CC1 ZINC000379776184 343624149 /nfs/dbraw/zinc/62/41/49/343624149.db2.gz CZTQRLKONNSUNZ-JTQLQIEISA-N 1 0 218.297 -1.616 20 0 BAADRO C[N@H+](C[C@H](O)CNC(CO)CO)C1CC1 ZINC000379776186 343624248 /nfs/dbraw/zinc/62/42/48/343624248.db2.gz CZTQRLKONNSUNZ-SNVBAGLBSA-N 1 0 218.297 -1.616 20 0 BAADRO C[C@@H]([NH3+])CN(C)Cc1cc(=O)n(C)c(=O)n1C ZINC000379785890 712398748 /nfs/dbraw/zinc/39/87/48/712398748.db2.gz ZFPJIGOHZNVUMM-MRVPVSSYSA-N 1 0 240.307 -1.137 20 0 BAADRO C[C@H]([NH3+])CN(C)Cc1cc(=O)n(C)c(=O)n1C ZINC000379785897 712399024 /nfs/dbraw/zinc/39/90/24/712399024.db2.gz ZFPJIGOHZNVUMM-QMMMGPOBSA-N 1 0 240.307 -1.137 20 0 BAADRO NS(=O)(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000379796041 538980326 /nfs/dbraw/zinc/98/03/26/538980326.db2.gz INDBMKITLPDQCQ-MRVPVSSYSA-N 1 0 234.325 -1.831 20 0 BAADRO NS(=O)(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000379796050 538980174 /nfs/dbraw/zinc/98/01/74/538980174.db2.gz INDBMKITLPDQCQ-QMMMGPOBSA-N 1 0 234.325 -1.831 20 0 BAADRO C[C@]1(C(=O)NCCn2ncnn2)CCC[NH2+]1 ZINC000379805650 365275259 /nfs/dbraw/zinc/27/52/59/365275259.db2.gz NXVVRDGQSWJHRC-SECBINFHSA-N 1 0 224.268 -1.069 20 0 BAADRO C[C@@]1(C(=O)NCCn2ncnn2)CCC[NH2+]1 ZINC000379805651 365275108 /nfs/dbraw/zinc/27/51/08/365275108.db2.gz NXVVRDGQSWJHRC-VIFPVBQESA-N 1 0 224.268 -1.069 20 0 BAADRO CN1C(=O)C[C@H]([NH2+]CCn2ncnn2)C1=O ZINC000379806831 343630919 /nfs/dbraw/zinc/63/09/19/343630919.db2.gz OFGAXUKJXVUPDB-LURJTMIESA-N 1 0 224.224 -1.980 20 0 BAADRO CN1C(=O)C[C@@H]([NH2+]CCn2ncnn2)C1=O ZINC000379806852 343630906 /nfs/dbraw/zinc/63/09/06/343630906.db2.gz OFGAXUKJXVUPDB-ZCFIWIBFSA-N 1 0 224.224 -1.980 20 0 BAADRO O=C(C[C@H]1CCC[NH2+]1)NCCn1ncnn1 ZINC000379807600 365276948 /nfs/dbraw/zinc/27/69/48/365276948.db2.gz OJLLOZIHADAYHC-MRVPVSSYSA-N 1 0 224.268 -1.069 20 0 BAADRO O=C(C[C@@H]1CCC[NH2+]1)NCCn1ncnn1 ZINC000379807601 365276516 /nfs/dbraw/zinc/27/65/16/365276516.db2.gz OJLLOZIHADAYHC-QMMMGPOBSA-N 1 0 224.268 -1.069 20 0 BAADRO C[N@H+](C[C@H](O)CNC[C@@H](O)CO)C1CC1 ZINC000379810131 365278273 /nfs/dbraw/zinc/27/82/73/365278273.db2.gz PIHCTGDUVLXZOI-NXEZZACHSA-N 1 0 218.297 -1.616 20 0 BAADRO C[N@H+](C[C@@H](O)CNC[C@H](O)CO)C1CC1 ZINC000379810135 365277808 /nfs/dbraw/zinc/27/78/08/365277808.db2.gz PIHCTGDUVLXZOI-UWVGGRQHSA-N 1 0 218.297 -1.616 20 0 BAADRO C[N@H+](C[C@@H](O)CNC[C@@H](O)CO)C1CC1 ZINC000379810138 365277916 /nfs/dbraw/zinc/27/79/16/365277916.db2.gz PIHCTGDUVLXZOI-VHSXEESVSA-N 1 0 218.297 -1.616 20 0 BAADRO C[N@H+](C[C@H](O)CNC[C@H](O)CO)C1CC1 ZINC000379810140 365278425 /nfs/dbraw/zinc/27/84/25/365278425.db2.gz PIHCTGDUVLXZOI-ZJUUUORDSA-N 1 0 218.297 -1.616 20 0 BAADRO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCCn1ncnn1 ZINC000379823645 488153252 /nfs/dbraw/zinc/15/32/52/488153252.db2.gz UECFWADQPZNQQF-JGVFFNPUSA-N 1 0 224.268 -1.083 20 0 BAADRO CC(C)(C[NH3+])C(=O)NCCn1ncnn1 ZINC000379831522 343636535 /nfs/dbraw/zinc/63/65/35/343636535.db2.gz XSSNAJMWXWQWNK-UHFFFAOYSA-N 1 0 212.257 -1.226 20 0 BAADRO O=C(NCCn1ncnn1)[C@@H]1CCC[NH2+]C1 ZINC000379836886 365297014 /nfs/dbraw/zinc/29/70/14/365297014.db2.gz ZFABLTJFZLOAFB-MRVPVSSYSA-N 1 0 224.268 -1.211 20 0 BAADRO C[C@H]([NH2+][C@H](CO)C1CC1)C(=O)NC(N)=O ZINC000379875993 712619975 /nfs/dbraw/zinc/61/99/75/712619975.db2.gz AFLADTIRCVQQIZ-CAHLUQPWSA-N 1 0 215.253 -1.070 20 0 BAADRO C[C@H]([NH2+][C@@H](CO)C1CC1)C(=O)NC(N)=O ZINC000379875994 712620095 /nfs/dbraw/zinc/62/00/95/712620095.db2.gz AFLADTIRCVQQIZ-FSPLSTOPSA-N 1 0 215.253 -1.070 20 0 BAADRO C[C@@H]([NH2+][C@H](CO)C1CC1)C(=O)NC(N)=O ZINC000379875995 712620147 /nfs/dbraw/zinc/62/01/47/712620147.db2.gz AFLADTIRCVQQIZ-IYSWYEEDSA-N 1 0 215.253 -1.070 20 0 BAADRO C[C@@H]([NH2+][C@@H](CO)C1CC1)C(=O)NC(N)=O ZINC000379875996 712620074 /nfs/dbraw/zinc/62/00/74/712620074.db2.gz AFLADTIRCVQQIZ-VDTYLAMSSA-N 1 0 215.253 -1.070 20 0 BAADRO O=C(C[NH2+]C1CC1)NCCn1ncnn1 ZINC000379891847 384799247 /nfs/dbraw/zinc/79/92/47/384799247.db2.gz FEMVHUOIGLLRLZ-UHFFFAOYSA-N 1 0 210.241 -1.459 20 0 BAADRO C[NH2+]C[C@@H](C)C(=O)NCCn1ncnn1 ZINC000379895916 365338515 /nfs/dbraw/zinc/33/85/15/365338515.db2.gz GESFIPKWDRDGOT-SSDOTTSWSA-N 1 0 212.257 -1.355 20 0 BAADRO C[NH2+]C[C@H](C)C(=O)NCCn1ncnn1 ZINC000379895917 365340019 /nfs/dbraw/zinc/34/00/19/365340019.db2.gz GESFIPKWDRDGOT-ZETCQYMHSA-N 1 0 212.257 -1.355 20 0 BAADRO C[NH2+]CCCC(=O)NCCn1ncnn1 ZINC000379902969 365475062 /nfs/dbraw/zinc/47/50/62/365475062.db2.gz IBTNOLCGOVNPIO-UHFFFAOYSA-N 1 0 212.257 -1.211 20 0 BAADRO C[C@H]([NH3+])[C@H](C)C(=O)NCCn1ncnn1 ZINC000379903557 398173753 /nfs/dbraw/zinc/17/37/53/398173753.db2.gz IFWXFNIXXJFBKI-BQBZGAKWSA-N 1 0 212.257 -1.227 20 0 BAADRO C[C@@H]([NH3+])[C@H](C)C(=O)NCCn1ncnn1 ZINC000379903559 398173700 /nfs/dbraw/zinc/17/37/00/398173700.db2.gz IFWXFNIXXJFBKI-NKWVEPMBSA-N 1 0 212.257 -1.227 20 0 BAADRO C[C@@H]([NH3+])[C@@H](C)C(=O)NCCn1ncnn1 ZINC000379903561 398173804 /nfs/dbraw/zinc/17/38/04/398173804.db2.gz IFWXFNIXXJFBKI-RNFRBKRXSA-N 1 0 212.257 -1.227 20 0 BAADRO C[C@@H](C(=O)NCCn1ncnn1)[C@H](C)[NH3+] ZINC000379903563 398241810 /nfs/dbraw/zinc/24/18/10/398241810.db2.gz IFWXFNIXXJFBKI-RQJHMYQMSA-N 1 0 212.257 -1.227 20 0 BAADRO C[C@@H]([NH3+])CCC(=O)NCCn1ncnn1 ZINC000379905721 365522320 /nfs/dbraw/zinc/52/23/20/365522320.db2.gz IZTADUCRENJINE-SSDOTTSWSA-N 1 0 212.257 -1.083 20 0 BAADRO C[C@H]([NH3+])CCC(=O)NCCn1ncnn1 ZINC000379905733 365521472 /nfs/dbraw/zinc/52/14/72/365521472.db2.gz IZTADUCRENJINE-ZETCQYMHSA-N 1 0 212.257 -1.083 20 0 BAADRO NS(=O)(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000379921435 541459486 /nfs/dbraw/zinc/45/94/86/541459486.db2.gz RVMNDYIPQARMER-MRVPVSSYSA-N 1 0 234.325 -1.831 20 0 BAADRO NS(=O)(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000379921439 541459465 /nfs/dbraw/zinc/45/94/65/541459465.db2.gz RVMNDYIPQARMER-QMMMGPOBSA-N 1 0 234.325 -1.831 20 0 BAADRO CC(C)[C@@H]([NH3+])C(=O)NCCn1ncnn1 ZINC000379954117 365760862 /nfs/dbraw/zinc/76/08/62/365760862.db2.gz JPKLUKJGIDVMGC-SSDOTTSWSA-N 1 0 212.257 -1.227 20 0 BAADRO CC(C)[C@H]([NH3+])C(=O)NCCn1ncnn1 ZINC000379954119 365760993 /nfs/dbraw/zinc/76/09/93/365760993.db2.gz JPKLUKJGIDVMGC-ZETCQYMHSA-N 1 0 212.257 -1.227 20 0 BAADRO O=C(NCCn1ncnn1)[C@H]1CCC[NH2+]1 ZINC000379984561 357446226 /nfs/dbraw/zinc/44/62/26/357446226.db2.gz QKRPREKAEBXZNB-SSDOTTSWSA-N 1 0 210.241 -1.459 20 0 BAADRO O=C(NCCn1ncnn1)[C@@H]1CCC[NH2+]1 ZINC000379984564 357445971 /nfs/dbraw/zinc/44/59/71/357445971.db2.gz QKRPREKAEBXZNB-ZETCQYMHSA-N 1 0 210.241 -1.459 20 0 BAADRO [NH3+]C1(C(=O)NCCn2ncnn2)CCC1 ZINC000379987902 365797175 /nfs/dbraw/zinc/79/71/75/365797175.db2.gz RRSWRWCGQFQCAL-UHFFFAOYSA-N 1 0 210.241 -1.329 20 0 BAADRO CC(C)[NH2+]CC(=O)NCCn1ncnn1 ZINC000379997947 488166084 /nfs/dbraw/zinc/16/60/84/488166084.db2.gz WTCDCJJKHLEYTF-UHFFFAOYSA-N 1 0 212.257 -1.213 20 0 BAADRO CC(C)([NH3+])CC(=O)NCCn1ncnn1 ZINC000379998199 398243430 /nfs/dbraw/zinc/24/34/30/398243430.db2.gz WVJGBJQNUBOHFZ-UHFFFAOYSA-N 1 0 212.257 -1.083 20 0 BAADRO CCNC(=O)CNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000380023182 398182467 /nfs/dbraw/zinc/18/24/67/398182467.db2.gz DUEUEBRCGYNHEA-LLVKDONJSA-N 1 0 243.307 -1.135 20 0 BAADRO CCNC(=O)CNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000380023194 398182062 /nfs/dbraw/zinc/18/20/62/398182062.db2.gz DUEUEBRCGYNHEA-NSHDSACASA-N 1 0 243.307 -1.135 20 0 BAADRO Cn1nnnc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000380025502 373104385 /nfs/dbraw/zinc/10/43/85/373104385.db2.gz YHTDZGUVICBGTC-HTQZYQBOSA-N 1 0 208.269 -1.139 20 0 BAADRO Cn1nnnc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000380025504 365812364 /nfs/dbraw/zinc/81/23/64/365812364.db2.gz YHTDZGUVICBGTC-OCAPTIKFSA-N 1 0 208.269 -1.139 20 0 BAADRO Cn1nnnc1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000380025508 373104122 /nfs/dbraw/zinc/10/41/22/373104122.db2.gz YHTDZGUVICBGTC-YUMQZZPRSA-N 1 0 208.269 -1.139 20 0 BAADRO COCC[N@H+](C)C[C@@H](O)Cn1ncn(C)c1=O ZINC000380025816 365813970 /nfs/dbraw/zinc/81/39/70/365813970.db2.gz NTULFFUPPRFATG-SECBINFHSA-N 1 0 244.295 -1.479 20 0 BAADRO COCC[N@H+](C)C[C@H](O)Cn1ncn(C)c1=O ZINC000380025821 365814052 /nfs/dbraw/zinc/81/40/52/365814052.db2.gz NTULFFUPPRFATG-VIFPVBQESA-N 1 0 244.295 -1.479 20 0 BAADRO O=C(CC[NH2+]C1CC1)NCCn1ncnn1 ZINC000380042737 343672549 /nfs/dbraw/zinc/67/25/49/343672549.db2.gz JSVYPDHJZUVXRD-UHFFFAOYSA-N 1 0 224.268 -1.069 20 0 BAADRO [NH3+][C@H](CC1CC1)C(=O)NCCn1ncnn1 ZINC000380063158 712684526 /nfs/dbraw/zinc/68/45/26/712684526.db2.gz OVDCMMOJCVASQE-MRVPVSSYSA-N 1 0 224.268 -1.083 20 0 BAADRO [NH3+][C@@H](CC1CC1)C(=O)NCCn1ncnn1 ZINC000380063159 712684501 /nfs/dbraw/zinc/68/45/01/712684501.db2.gz OVDCMMOJCVASQE-QMMMGPOBSA-N 1 0 224.268 -1.083 20 0 BAADRO O=C(C[NH2+]CC1CC1)NCCn1ncnn1 ZINC000380063509 365837156 /nfs/dbraw/zinc/83/71/56/365837156.db2.gz OYRUHVDLSZXDDA-UHFFFAOYSA-N 1 0 224.268 -1.211 20 0 BAADRO O=C(NCCn1ncnn1)[C@H]1CCCC[NH2+]1 ZINC000380068500 343067528 /nfs/dbraw/zinc/06/75/28/343067528.db2.gz PUGXWCAJCMYEHQ-MRVPVSSYSA-N 1 0 224.268 -1.069 20 0 BAADRO O=C(NCCn1ncnn1)[C@@H]1CCCC[NH2+]1 ZINC000380068505 365848349 /nfs/dbraw/zinc/84/83/49/365848349.db2.gz PUGXWCAJCMYEHQ-QMMMGPOBSA-N 1 0 224.268 -1.069 20 0 BAADRO O=C(NCCn1ncnn1)[C@@H]1CSCN1 ZINC000380093657 343678249 /nfs/dbraw/zinc/67/82/49/343678249.db2.gz VNEHVAKEQDGNPE-LURJTMIESA-N 1 0 228.281 -1.548 20 0 BAADRO CC1(C)CN(C(=O)CNC(N)=O)CC[NH2+]1 ZINC000380111623 365887898 /nfs/dbraw/zinc/88/78/98/365887898.db2.gz OIUNNQUVXNUEOD-UHFFFAOYSA-N 1 0 214.269 -1.135 20 0 BAADRO C[C@H]1[NH2+]CC[C@H]1C(=O)NCCn1ncnn1 ZINC000380132810 365905425 /nfs/dbraw/zinc/90/54/25/365905425.db2.gz DXPZURVUFBGKIQ-HTQZYQBOSA-N 1 0 224.268 -1.213 20 0 BAADRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCn1ncnn1 ZINC000380132815 365905975 /nfs/dbraw/zinc/90/59/75/365905975.db2.gz DXPZURVUFBGKIQ-JGVFFNPUSA-N 1 0 224.268 -1.213 20 0 BAADRO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCn1ncnn1 ZINC000380132816 365905549 /nfs/dbraw/zinc/90/55/49/365905549.db2.gz DXPZURVUFBGKIQ-SFYZADRCSA-N 1 0 224.268 -1.213 20 0 BAADRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCn1ncnn1 ZINC000380132819 365905738 /nfs/dbraw/zinc/90/57/38/365905738.db2.gz DXPZURVUFBGKIQ-YUMQZZPRSA-N 1 0 224.268 -1.213 20 0 BAADRO CC1(OCC(=O)NCCn2ncnn2)C[NH2+]C1 ZINC000380207251 397831845 /nfs/dbraw/zinc/83/18/45/397831845.db2.gz SPJJBKKXWXUVIZ-UHFFFAOYSA-N 1 0 240.267 -1.832 20 0 BAADRO CNC(=O)C1([NH2+]C[C@@H](O)CO)CCCC1 ZINC000380208887 712725553 /nfs/dbraw/zinc/72/55/53/712725553.db2.gz XXVALQAQHDUGSG-MRVPVSSYSA-N 1 0 216.281 -1.012 20 0 BAADRO CNC(=O)C1([NH2+]C[C@H](O)CO)CCCC1 ZINC000380208889 712725570 /nfs/dbraw/zinc/72/55/70/712725570.db2.gz XXVALQAQHDUGSG-QMMMGPOBSA-N 1 0 216.281 -1.012 20 0 BAADRO C[C@@H]([NH2+]C1CC1)C(=O)NCCn1ncnn1 ZINC000380226198 346755113 /nfs/dbraw/zinc/75/51/13/346755113.db2.gz WXLUOIWDGSZCKM-SSDOTTSWSA-N 1 0 224.268 -1.070 20 0 BAADRO C[C@H]([NH2+]C1CC1)C(=O)NCCn1ncnn1 ZINC000380226199 346755085 /nfs/dbraw/zinc/75/50/85/346755085.db2.gz WXLUOIWDGSZCKM-ZETCQYMHSA-N 1 0 224.268 -1.070 20 0 BAADRO CCS(=O)(=O)CCN(CC[NH3+])CCO ZINC000380258430 712848993 /nfs/dbraw/zinc/84/89/93/712848993.db2.gz QWKUULLPNLLSLM-UHFFFAOYSA-N 1 0 224.326 -1.326 20 0 BAADRO Nc1cc(N)[nH+]c(SCCS(N)(=O)=O)n1 ZINC000380276334 712860438 /nfs/dbraw/zinc/86/04/38/712860438.db2.gz XTOSRTJDJJSOLN-UHFFFAOYSA-N 1 0 249.321 -1.148 20 0 BAADRO Cn1ncc(CN2CCO[C@H](C[NH3+])C2)n1 ZINC000380328948 712886652 /nfs/dbraw/zinc/88/66/52/712886652.db2.gz NHXHNDGOHJOSLB-SECBINFHSA-N 1 0 211.269 -1.025 20 0 BAADRO Cn1ncc(CN2CCO[C@@H](C[NH3+])C2)n1 ZINC000380328949 712886683 /nfs/dbraw/zinc/88/66/83/712886683.db2.gz NHXHNDGOHJOSLB-VIFPVBQESA-N 1 0 211.269 -1.025 20 0 BAADRO C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)N1CCOCC1 ZINC000380637698 373380677 /nfs/dbraw/zinc/38/06/77/373380677.db2.gz HZHMMQPHQIVURA-DTWKUNHWSA-N 1 0 249.336 -1.097 20 0 BAADRO COC[C@]1(C(=O)NCC(=O)OC)CC[NH2+]C1 ZINC000380764569 344438495 /nfs/dbraw/zinc/43/84/95/344438495.db2.gz XBRNBPTZAXYEFY-JTQLQIEISA-N 1 0 230.264 -1.098 20 0 BAADRO COC[C@@]1(C(=O)NCC(=O)OC)CC[NH2+]C1 ZINC000380764577 344438581 /nfs/dbraw/zinc/43/85/81/344438581.db2.gz XBRNBPTZAXYEFY-SNVBAGLBSA-N 1 0 230.264 -1.098 20 0 BAADRO CCC[C@H](NC(=O)C[NH2+]CCOC)C(N)=O ZINC000380862032 398209473 /nfs/dbraw/zinc/20/94/73/398209473.db2.gz ZRXLSHLSVVCMGK-QMMMGPOBSA-N 1 0 231.296 -1.007 20 0 BAADRO CC[N@H+](C)C[C@@H](O)CN(CCO)C[C@@H](C)O ZINC000380985248 487930780 /nfs/dbraw/zinc/93/07/80/487930780.db2.gz DBPVGLWAIZFMNE-GHMZBOCLSA-N 1 0 234.340 -1.026 20 0 BAADRO CC[N@H+](C)C[C@H](O)CN(CCO)C[C@@H](C)O ZINC000380985297 487930427 /nfs/dbraw/zinc/93/04/27/487930427.db2.gz DBPVGLWAIZFMNE-MNOVXSKESA-N 1 0 234.340 -1.026 20 0 BAADRO CC[N@H+](C)C[C@H](O)CN(CCO)C[C@H](C)O ZINC000380985299 487492310 /nfs/dbraw/zinc/49/23/10/487492310.db2.gz DBPVGLWAIZFMNE-QWRGUYRKSA-N 1 0 234.340 -1.026 20 0 BAADRO CC[N@H+](C)C[C@@H](O)CN(CCO)C[C@H](C)O ZINC000380985302 487492215 /nfs/dbraw/zinc/49/22/15/487492215.db2.gz DBPVGLWAIZFMNE-WDEREUQCSA-N 1 0 234.340 -1.026 20 0 BAADRO NC(=O)CC[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000380987896 710597799 /nfs/dbraw/zinc/59/77/99/710597799.db2.gz DLMMDJQPXXYOQK-UHFFFAOYSA-N 1 0 249.336 -1.123 20 0 BAADRO COCCN(C)C[C@@H](O)C[N@@H+]1CC[C@@H](O)C1 ZINC000381040564 367340985 /nfs/dbraw/zinc/34/09/85/367340985.db2.gz FZUPDQNLBVLXTE-GHMZBOCLSA-N 1 0 232.324 -1.008 20 0 BAADRO COCCN(C)C[C@H](O)C[N@@H+]1CC[C@@H](O)C1 ZINC000381040566 367341401 /nfs/dbraw/zinc/34/14/01/367341401.db2.gz FZUPDQNLBVLXTE-MNOVXSKESA-N 1 0 232.324 -1.008 20 0 BAADRO COCCN(C)C[C@H](O)C[N@@H+]1CC[C@H](O)C1 ZINC000381040568 367341364 /nfs/dbraw/zinc/34/13/64/367341364.db2.gz FZUPDQNLBVLXTE-QWRGUYRKSA-N 1 0 232.324 -1.008 20 0 BAADRO COCCN(C)C[C@@H](O)C[N@@H+]1CC[C@H](O)C1 ZINC000381040569 367341330 /nfs/dbraw/zinc/34/13/30/367341330.db2.gz FZUPDQNLBVLXTE-WDEREUQCSA-N 1 0 232.324 -1.008 20 0 BAADRO C[C@@H](C[NH3+])NC(=O)CN1CCNCC1=O ZINC000381041147 710599146 /nfs/dbraw/zinc/59/91/46/710599146.db2.gz CHMFWDMFDVMLBG-ZETCQYMHSA-N 1 0 214.269 -2.118 20 0 BAADRO C[C@H](C[NH3+])NC(=O)CN1CCCNC1=O ZINC000381176237 367359303 /nfs/dbraw/zinc/35/93/03/367359303.db2.gz VERSVBORADRLHD-SSDOTTSWSA-N 1 0 214.269 -1.135 20 0 BAADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1COCCN1 ZINC000381308610 367377743 /nfs/dbraw/zinc/37/77/43/367377743.db2.gz KQYXRCGTRZYWRN-XHNCKOQMSA-N 1 0 213.281 -1.077 20 0 BAADRO COC[C@@](C)(CC(=O)OC)[NH2+]C[C@@H](O)CO ZINC000381321879 710621329 /nfs/dbraw/zinc/62/13/29/710621329.db2.gz YPYVWMVICWUNEK-PSASIEDQSA-N 1 0 235.280 -1.103 20 0 BAADRO COC[C@](C)(CC(=O)OC)[NH2+]C[C@@H](O)CO ZINC000381321881 710620810 /nfs/dbraw/zinc/62/08/10/710620810.db2.gz YPYVWMVICWUNEK-SCZZXKLOSA-N 1 0 235.280 -1.103 20 0 BAADRO COC[C@@](C)(CC(=O)OC)[NH2+]C[C@H](O)CO ZINC000381321882 710621661 /nfs/dbraw/zinc/62/16/61/710621661.db2.gz YPYVWMVICWUNEK-WCBMZHEXSA-N 1 0 235.280 -1.103 20 0 BAADRO COC[C@](C)(CC(=O)OC)[NH2+]C[C@H](O)CO ZINC000381321883 710621592 /nfs/dbraw/zinc/62/15/92/710621592.db2.gz YPYVWMVICWUNEK-WPRPVWTQSA-N 1 0 235.280 -1.103 20 0 BAADRO Cn1ccnc(N[C@@H](CO)C[NH+](C)C)c1=O ZINC000381340746 538998909 /nfs/dbraw/zinc/99/89/09/538998909.db2.gz XNCZUZRNJJGSRZ-MRVPVSSYSA-N 1 0 226.280 -1.463 20 0 BAADRO Cn1ccnc(N[C@H](CO)C[NH+](C)C)c1=O ZINC000381340747 538998795 /nfs/dbraw/zinc/99/87/95/538998795.db2.gz XNCZUZRNJJGSRZ-QMMMGPOBSA-N 1 0 226.280 -1.463 20 0 BAADRO CNC(=O)[C@@H](O)CNc1cc(C)[nH+]c(N)n1 ZINC000381347794 710625208 /nfs/dbraw/zinc/62/52/08/710625208.db2.gz ZNBXURCYCAKNDX-LURJTMIESA-N 1 0 225.252 -1.862 20 0 BAADRO CNC(=O)[C@H](O)CNc1cc(C)[nH+]c(N)n1 ZINC000381347796 710625579 /nfs/dbraw/zinc/62/55/79/710625579.db2.gz ZNBXURCYCAKNDX-ZCFIWIBFSA-N 1 0 225.252 -1.862 20 0 BAADRO Cn1nncc1S(=O)(=O)N[C@H]1C[C@@H]([NH3+])C1 ZINC000381372753 398253740 /nfs/dbraw/zinc/25/37/40/398253740.db2.gz ICAUQBYPZPTSDY-OLQVQODUSA-N 1 0 231.281 -1.417 20 0 BAADRO C[C@H]([NH3+])CNC(=O)C(C)(C)NS(C)(=O)=O ZINC000381451914 398253650 /nfs/dbraw/zinc/25/36/50/398253650.db2.gz HSEQROYHEKUZFB-LURJTMIESA-N 1 0 237.325 -1.222 20 0 BAADRO C[C@@H]([NH3+])CNC(=O)C(C)(C)NS(C)(=O)=O ZINC000381451932 398258225 /nfs/dbraw/zinc/25/82/25/398258225.db2.gz HSEQROYHEKUZFB-ZCFIWIBFSA-N 1 0 237.325 -1.222 20 0 BAADRO O=C1CNC(=O)N1CC[NH2+][C@H](CO)C1CC1 ZINC000381481221 710644101 /nfs/dbraw/zinc/64/41/01/710644101.db2.gz DOOSUHCZENFRHA-MRVPVSSYSA-N 1 0 227.264 -1.101 20 0 BAADRO O=C1CNC(=O)N1CC[NH2+][C@@H](CO)C1CC1 ZINC000381481224 710643299 /nfs/dbraw/zinc/64/32/99/710643299.db2.gz DOOSUHCZENFRHA-QMMMGPOBSA-N 1 0 227.264 -1.101 20 0 BAADRO CCNC(=O)CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000381486398 398259685 /nfs/dbraw/zinc/25/96/85/398259685.db2.gz IWILCWNBJMYCMG-QMSLJYSESA-N 1 0 211.265 -1.296 20 0 BAADRO CNC(=O)[C@H](C)NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000381498364 710647354 /nfs/dbraw/zinc/64/73/54/710647354.db2.gz BVLKWCFBRLQVDR-IMTBSYHQSA-N 1 0 217.244 -1.061 20 0 BAADRO CNC(=O)[C@H](C)NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000381498367 710647784 /nfs/dbraw/zinc/64/77/84/710647784.db2.gz BVLKWCFBRLQVDR-RCOVLWMOSA-N 1 0 217.244 -1.061 20 0 BAADRO C[NH2+]CCN(C)C(=O)CCNS(C)(=O)=O ZINC000381509011 346210845 /nfs/dbraw/zinc/21/08/45/346210845.db2.gz UWNXWMVKZKWYMY-UHFFFAOYSA-N 1 0 237.325 -1.397 20 0 BAADRO O=C1CC[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C(=O)N1 ZINC000381510921 710649367 /nfs/dbraw/zinc/64/93/67/710649367.db2.gz WJVGERKCVOPVNS-HRDYMLBCSA-N 1 0 223.276 -1.057 20 0 BAADRO O=C1CC[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C(=O)N1 ZINC000381510923 710649441 /nfs/dbraw/zinc/64/94/41/710649441.db2.gz WJVGERKCVOPVNS-YIZRAAEISA-N 1 0 223.276 -1.057 20 0 BAADRO CC(C)(C[NH3+])NC(=O)CCNS(C)(=O)=O ZINC000381547094 367428836 /nfs/dbraw/zinc/42/88/36/367428836.db2.gz LAOKHQVJXYDGEV-UHFFFAOYSA-N 1 0 237.325 -1.221 20 0 BAADRO CC(=O)NCCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000381550692 710653712 /nfs/dbraw/zinc/65/37/12/710653712.db2.gz MQSFRADTBRUWNS-SECBINFHSA-N 1 0 217.244 -1.060 20 0 BAADRO CC(=O)NCCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000381550694 710653803 /nfs/dbraw/zinc/65/38/03/710653803.db2.gz MQSFRADTBRUWNS-VIFPVBQESA-N 1 0 217.244 -1.060 20 0 BAADRO CC(C)(C)NS(=O)(=O)CC(=O)NCC[NH3+] ZINC000381553011 398263205 /nfs/dbraw/zinc/26/32/05/398263205.db2.gz NITBCOYAIKTXDW-UHFFFAOYSA-N 1 0 237.325 -1.221 20 0 BAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]C1CC1 ZINC000381560396 398264105 /nfs/dbraw/zinc/26/41/05/398264105.db2.gz QYBWMELKYHGIDO-UHFFFAOYSA-N 1 0 235.309 -1.596 20 0 BAADRO CNC(=O)[C@@H](C)NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000381579079 398264924 /nfs/dbraw/zinc/26/49/24/398264924.db2.gz DPXNXEJBEFXGNS-NGJRWZKOSA-N 1 0 211.265 -1.298 20 0 BAADRO COC[C@@](C)([NH3+])CNc1nccn(C)c1=O ZINC000381590448 411644732 /nfs/dbraw/zinc/64/47/32/411644732.db2.gz CXJSZJIHECJSOK-JTQLQIEISA-N 1 0 226.280 -0.444 20 0 BAADRO COC[C@](C)([NH3+])CNc1nccn(C)c1=O ZINC000381590450 411650576 /nfs/dbraw/zinc/65/05/76/411650576.db2.gz CXJSZJIHECJSOK-SNVBAGLBSA-N 1 0 226.280 -0.444 20 0 BAADRO C[C@@H](C(=O)N(C)C)S(=O)(=O)NC1C[NH2+]C1 ZINC000381616317 367439217 /nfs/dbraw/zinc/43/92/17/367439217.db2.gz VMBMZKGILPIXKM-LURJTMIESA-N 1 0 235.309 -1.646 20 0 BAADRO C[C@H](C(=O)N(C)C)S(=O)(=O)NC1C[NH2+]C1 ZINC000381616319 367438994 /nfs/dbraw/zinc/43/89/94/367438994.db2.gz VMBMZKGILPIXKM-ZCFIWIBFSA-N 1 0 235.309 -1.646 20 0 BAADRO CC[NH2+]CCCNC(=O)CS(=O)(=O)NC ZINC000381624741 344527252 /nfs/dbraw/zinc/52/72/52/344527252.db2.gz IITZCWLMZIBBSL-UHFFFAOYSA-N 1 0 237.325 -1.349 20 0 BAADRO NC(=O)CNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000381630125 398254640 /nfs/dbraw/zinc/25/46/40/398254640.db2.gz PDXBNSSHOBINLB-RXMQYKEDSA-N 1 0 221.207 -1.167 20 0 BAADRO NC(=O)CNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000381630127 398267806 /nfs/dbraw/zinc/26/78/06/398267806.db2.gz PDXBNSSHOBINLB-YFKPBYRVSA-N 1 0 221.207 -1.167 20 0 BAADRO O=C(C[NH2+][C@H](CO)C1CC1)N1CCNC1=O ZINC000381636332 710665759 /nfs/dbraw/zinc/66/57/59/710665759.db2.gz WHGYCHHBKFUSOJ-MRVPVSSYSA-N 1 0 227.264 -1.101 20 0 BAADRO O=C(C[NH2+][C@@H](CO)C1CC1)N1CCNC1=O ZINC000381636333 710665440 /nfs/dbraw/zinc/66/54/40/710665440.db2.gz WHGYCHHBKFUSOJ-QMMMGPOBSA-N 1 0 227.264 -1.101 20 0 BAADRO [NH3+]CCCNC(=O)CN1CCCNC1=O ZINC000381650936 346556481 /nfs/dbraw/zinc/55/64/81/346556481.db2.gz RTCPIWMODZVSMX-UHFFFAOYSA-N 1 0 214.269 -1.133 20 0 BAADRO COCCN(C)S(=O)(=O)N[C@H]1C[C@@H]([NH3+])C1 ZINC000381722986 397806980 /nfs/dbraw/zinc/80/69/80/397806980.db2.gz MEIWCHFEMRIXFP-OCAPTIKFSA-N 1 0 237.325 -1.111 20 0 BAADRO C[C@@](O)(CO)CNc1cc[nH+]cc1C(N)=O ZINC000381757017 346827691 /nfs/dbraw/zinc/82/76/91/346827691.db2.gz SJYHLRRGPNAZBM-JTQLQIEISA-N 1 0 225.248 -1.242 20 0 BAADRO C[C@](O)(CO)CNc1cc[nH+]cc1C(N)=O ZINC000381757020 346827741 /nfs/dbraw/zinc/82/77/41/346827741.db2.gz SJYHLRRGPNAZBM-SNVBAGLBSA-N 1 0 225.248 -1.242 20 0 BAADRO CS(=O)(=O)CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000381793680 710715306 /nfs/dbraw/zinc/71/53/06/710715306.db2.gz ASOJLDUULQTLOY-MRVPVSSYSA-N 1 0 238.284 -1.151 20 0 BAADRO CS(=O)(=O)CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000381793684 710715933 /nfs/dbraw/zinc/71/59/33/710715933.db2.gz ASOJLDUULQTLOY-QMMMGPOBSA-N 1 0 238.284 -1.151 20 0 BAADRO C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)N1CCOCC1 ZINC000381801585 367459537 /nfs/dbraw/zinc/45/95/37/367459537.db2.gz UIDJELNBYQHQTI-HTQZYQBOSA-N 1 0 237.325 -1.111 20 0 BAADRO C[C@@H](NS(=O)(=O)N1CCOCC1)[C@H](C)[NH3+] ZINC000381801586 367459320 /nfs/dbraw/zinc/45/93/20/367459320.db2.gz UIDJELNBYQHQTI-JGVFFNPUSA-N 1 0 237.325 -1.111 20 0 BAADRO C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)N1CCOCC1 ZINC000381801588 367459273 /nfs/dbraw/zinc/45/92/73/367459273.db2.gz UIDJELNBYQHQTI-SFYZADRCSA-N 1 0 237.325 -1.111 20 0 BAADRO C[C@H]([NH3+])[C@H](C)NS(=O)(=O)N1CCOCC1 ZINC000381801593 346869189 /nfs/dbraw/zinc/86/91/89/346869189.db2.gz UIDJELNBYQHQTI-YUMQZZPRSA-N 1 0 237.325 -1.111 20 0 BAADRO C[NH2+]CCNC(=O)CN1CCNCC1=O ZINC000381822045 367460942 /nfs/dbraw/zinc/46/09/42/367460942.db2.gz KZQAXNCVHRCCEH-UHFFFAOYSA-N 1 0 214.269 -2.246 20 0 BAADRO CC(=O)NCCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000382006719 397859192 /nfs/dbraw/zinc/85/91/92/397859192.db2.gz LDXRLVFVKQIMOS-HLTSFMKQSA-N 1 0 211.265 -1.011 20 0 BAADRO CC(=O)NCC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000382014968 398297007 /nfs/dbraw/zinc/29/70/07/398297007.db2.gz NYYBQDLBCUUEHY-YUMQZZPRSA-N 1 0 217.244 -1.061 20 0 BAADRO O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCNC(=O)C1 ZINC000382041803 398300064 /nfs/dbraw/zinc/30/00/64/398300064.db2.gz XUDXTOQUSTXUML-PRJMDXOYSA-N 1 0 209.249 -1.305 20 0 BAADRO CNC(=O)[C@@H](C)NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000382334696 398256456 /nfs/dbraw/zinc/25/64/56/398256456.db2.gz XQXGFBVOMVLXTD-XUTVFYLZSA-N 1 0 211.265 -1.013 20 0 BAADRO CC(C)(C[NH3+])C(=O)NCC(=O)N1CCOCC1 ZINC000382469173 367528450 /nfs/dbraw/zinc/52/84/50/367528450.db2.gz GFLZTNSRMAIGFL-UHFFFAOYSA-N 1 0 243.307 -1.054 20 0 BAADRO C[NH2+]C[C@@H](C)C(=O)NCC(=O)N1CCOCC1 ZINC000382502697 367531149 /nfs/dbraw/zinc/53/11/49/367531149.db2.gz JTMMPXNBASQOIF-SECBINFHSA-N 1 0 243.307 -1.183 20 0 BAADRO C[NH2+]C[C@H](C)C(=O)NCC(=O)N1CCOCC1 ZINC000382502698 367531533 /nfs/dbraw/zinc/53/15/33/367531533.db2.gz JTMMPXNBASQOIF-VIFPVBQESA-N 1 0 243.307 -1.183 20 0 BAADRO O=C(C[NH2+]C1CC1)NCC(=O)N1CCOCC1 ZINC000382503849 367530287 /nfs/dbraw/zinc/53/02/87/367530287.db2.gz VVEUEPMBZWWBQN-UHFFFAOYSA-N 1 0 241.291 -1.287 20 0 BAADRO C[NH+](C)C1CN(C(=O)Cn2cnc(N)n2)C1 ZINC000382646780 411408976 /nfs/dbraw/zinc/40/89/76/411408976.db2.gz PBRNURYZWZPYDO-UHFFFAOYSA-N 1 0 224.268 -1.537 20 0 BAADRO C[C@H](C[NH3+])N(C)Cc1cc(=O)n(C)c(=O)n1C ZINC000382983717 367580134 /nfs/dbraw/zinc/58/01/34/367580134.db2.gz ZMBRXVOJLYROGU-MRVPVSSYSA-N 1 0 240.307 -1.137 20 0 BAADRO C[C@@H](C[NH3+])N(C)Cc1cc(=O)n(C)c(=O)n1C ZINC000382983718 367580296 /nfs/dbraw/zinc/58/02/96/367580296.db2.gz ZMBRXVOJLYROGU-QMMMGPOBSA-N 1 0 240.307 -1.137 20 0 BAADRO [NH3+]CC[C@@H](NC(=O)Cn1cnnn1)C(F)F ZINC000383474615 367626105 /nfs/dbraw/zinc/62/61/05/367626105.db2.gz MZTACHGULKKMHN-RXMQYKEDSA-N 1 0 234.210 -1.228 20 0 BAADRO [NH3+]CC[C@H](NC(=O)Cn1cnnn1)C(F)F ZINC000383475327 367625939 /nfs/dbraw/zinc/62/59/39/367625939.db2.gz MZTACHGULKKMHN-YFKPBYRVSA-N 1 0 234.210 -1.228 20 0 BAADRO CC[N@H+](C)C[C@@H](O)Cn1c(=O)ccn(C)c1=O ZINC000383507909 487631684 /nfs/dbraw/zinc/63/16/84/487631684.db2.gz GEKPTGYGKUWVCG-SECBINFHSA-N 1 0 241.291 -1.140 20 0 BAADRO CC[N@H+](C)C[C@H](O)Cn1c(=O)ccn(C)c1=O ZINC000383507910 487630794 /nfs/dbraw/zinc/63/07/94/487630794.db2.gz GEKPTGYGKUWVCG-VIFPVBQESA-N 1 0 241.291 -1.140 20 0 BAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000383646272 349256651 /nfs/dbraw/zinc/25/66/51/349256651.db2.gz CLEFYLLCFKQSGL-NXEZZACHSA-N 1 0 246.307 -1.169 20 0 BAADRO COCCOC[C@@H](O)C[NH2+][C@H]1CC(=O)N(C)C1 ZINC000383646277 367646245 /nfs/dbraw/zinc/64/62/45/367646245.db2.gz CLEFYLLCFKQSGL-UWVGGRQHSA-N 1 0 246.307 -1.169 20 0 BAADRO COCCOC[C@H](O)C[NH2+][C@H]1CC(=O)N(C)C1 ZINC000383646280 367646854 /nfs/dbraw/zinc/64/68/54/367646854.db2.gz CLEFYLLCFKQSGL-VHSXEESVSA-N 1 0 246.307 -1.169 20 0 BAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000383646297 367646844 /nfs/dbraw/zinc/64/68/44/367646844.db2.gz CLEFYLLCFKQSGL-ZJUUUORDSA-N 1 0 246.307 -1.169 20 0 BAADRO CN1C[C@H](NC(=O)COC2(C)C[NH2+]C2)CC1=O ZINC000383871128 398258811 /nfs/dbraw/zinc/25/88/11/398258811.db2.gz AZLFHSBWMURQTE-MRVPVSSYSA-N 1 0 241.291 -1.288 20 0 BAADRO CN1C[C@@H](NC(=O)COC2(C)C[NH2+]C2)CC1=O ZINC000383871130 398046799 /nfs/dbraw/zinc/04/67/99/398046799.db2.gz AZLFHSBWMURQTE-QMMMGPOBSA-N 1 0 241.291 -1.288 20 0 BAADRO COCC1(O)CN(C(=O)C[NH+](C)C)C1 ZINC000383945279 355805057 /nfs/dbraw/zinc/80/50/57/355805057.db2.gz AQAMRAPXIWNNDQ-UHFFFAOYSA-N 1 0 202.254 -1.232 20 0 BAADRO CNC(=O)[C@H](C)NC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000384022366 367667961 /nfs/dbraw/zinc/66/79/61/367667961.db2.gz KFFLHEVQXRVXOP-GZMMTYOYSA-N 1 0 243.307 -1.137 20 0 BAADRO CNC(=O)[C@@H](C)NC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000384022381 367668029 /nfs/dbraw/zinc/66/80/29/367668029.db2.gz KFFLHEVQXRVXOP-KCJUWKMLSA-N 1 0 243.307 -1.137 20 0 BAADRO CNC(=O)[C@H](C)NC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000384022405 367668095 /nfs/dbraw/zinc/66/80/95/367668095.db2.gz KFFLHEVQXRVXOP-KWQFWETISA-N 1 0 243.307 -1.137 20 0 BAADRO CNC(=O)[C@@H](C)NC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000384022429 367667809 /nfs/dbraw/zinc/66/78/09/367667809.db2.gz KFFLHEVQXRVXOP-LDYMZIIASA-N 1 0 243.307 -1.137 20 0 BAADRO O=C(N[C@@H]1CCC[N@@H+](CCO)C1)c1cn[nH]n1 ZINC000384427072 710992865 /nfs/dbraw/zinc/99/28/65/710992865.db2.gz DKNRQDKXYYWTTH-MRVPVSSYSA-N 1 0 239.279 -1.009 20 0 BAADRO O=C(N[C@H]1CCC[N@@H+](CCO)C1)c1cn[nH]n1 ZINC000384427075 710915559 /nfs/dbraw/zinc/91/55/59/710915559.db2.gz DKNRQDKXYYWTTH-QMMMGPOBSA-N 1 0 239.279 -1.009 20 0 BAADRO O=C(N[C@@H]1CCC[N@@H+](CCO)C1)c1nnc[nH]1 ZINC000384539428 710917105 /nfs/dbraw/zinc/91/71/05/710917105.db2.gz GHMYCIZBWKCSQV-MRVPVSSYSA-N 1 0 239.279 -1.009 20 0 BAADRO O=C(N[C@H]1CCC[N@@H+](CCO)C1)c1nnc[nH]1 ZINC000384539429 710915908 /nfs/dbraw/zinc/91/59/08/710915908.db2.gz GHMYCIZBWKCSQV-QMMMGPOBSA-N 1 0 239.279 -1.009 20 0 BAADRO C[C@@H]1C[C@@H](NC(=O)CNC(=O)C[NH3+])[C@@H](C)O1 ZINC000384690379 398102232 /nfs/dbraw/zinc/10/22/32/398102232.db2.gz CJPJBHRKTYVIPG-BWZBUEFSSA-N 1 0 229.280 -1.257 20 0 BAADRO C[C@@H]1C[C@H](NC(=O)CNC(=O)C[NH3+])[C@H](C)O1 ZINC000384690380 398102369 /nfs/dbraw/zinc/10/23/69/398102369.db2.gz CJPJBHRKTYVIPG-CSMHCCOUSA-N 1 0 229.280 -1.257 20 0 BAADRO C[C@@H]1C[C@@H](NC(=O)CNC(=O)C[NH3+])[C@H](C)O1 ZINC000384690381 398102396 /nfs/dbraw/zinc/10/23/96/398102396.db2.gz CJPJBHRKTYVIPG-GJMOJQLCSA-N 1 0 229.280 -1.257 20 0 BAADRO C[C@@H]1C[C@H](NC(=O)CNC(=O)C[NH3+])[C@@H](C)O1 ZINC000384690382 398102242 /nfs/dbraw/zinc/10/22/42/398102242.db2.gz CJPJBHRKTYVIPG-PRJMDXOYSA-N 1 0 229.280 -1.257 20 0 BAADRO C[C@H](NC(=O)[C@H]1CC[NH2+]1)C(=O)N1CCOCC1 ZINC000384776325 367730124 /nfs/dbraw/zinc/73/01/24/367730124.db2.gz IRSXTACGDWEKOI-DTWKUNHWSA-N 1 0 241.291 -1.288 20 0 BAADRO C[C@@H](NC(=O)[C@H]1CC[NH2+]1)C(=O)N1CCOCC1 ZINC000384776332 367729992 /nfs/dbraw/zinc/72/99/92/367729992.db2.gz IRSXTACGDWEKOI-RKDXNWHRSA-N 1 0 241.291 -1.288 20 0 BAADRO COCC(=O)N1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000384782008 386540978 /nfs/dbraw/zinc/54/09/78/386540978.db2.gz LOCBUISVXMUJKR-SECBINFHSA-N 1 0 241.291 -1.335 20 0 BAADRO O=C(NCCN1CCOCC1)[C@H]1CC[NH2+]1 ZINC000384792068 367732245 /nfs/dbraw/zinc/73/22/45/367732245.db2.gz UOKRKXLYZYUZDI-SECBINFHSA-N 1 0 213.281 -1.203 20 0 BAADRO CNC(=O)CN1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000384795780 367733140 /nfs/dbraw/zinc/73/31/40/367733140.db2.gz YCRFQXRUMWYBJF-SECBINFHSA-N 1 0 240.307 -1.762 20 0 BAADRO COCCN(CC(=O)N(C)C)C(=O)[C@H]1CC[NH2+]1 ZINC000384830105 367738482 /nfs/dbraw/zinc/73/84/82/367738482.db2.gz JEFLLBFMHRGZEC-SECBINFHSA-N 1 0 243.307 -1.089 20 0 BAADRO CC(C)(CNC(=O)[C@H]1CC[NH2+]1)NS(C)(=O)=O ZINC000384835917 398107675 /nfs/dbraw/zinc/10/76/75/398107675.db2.gz ORLQXIUJFAOQDC-SSDOTTSWSA-N 1 0 249.336 -1.208 20 0 BAADRO CNC(=O)NC(=O)CN(C)C1CC([NH3+])C1 ZINC000384836045 367740282 /nfs/dbraw/zinc/74/02/82/367740282.db2.gz HUTUMMMPJIFHFI-UHFFFAOYSA-N 1 0 214.269 -1.137 20 0 BAADRO NS(=O)(=O)N1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000384842014 350595273 /nfs/dbraw/zinc/59/52/73/350595273.db2.gz UWHDYPAIABSGNU-SSDOTTSWSA-N 1 0 248.308 -2.304 20 0 BAADRO CS(=O)(=O)N1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000384847540 367742527 /nfs/dbraw/zinc/74/25/27/367742527.db2.gz YUFGRYMGQITHJB-MRVPVSSYSA-N 1 0 247.320 -1.548 20 0 BAADRO C[NH+](C)[C@@H]1[C@H]2CN(C[C@H](O)CO)C[C@H]21 ZINC000384863090 712703566 /nfs/dbraw/zinc/70/35/66/712703566.db2.gz DTXNFIPZBZYMRD-AXTSPUMRSA-N 1 0 200.282 -1.169 20 0 BAADRO C[NH+](C)[C@@H]1[C@H]2CN(C[C@@H](O)CO)C[C@H]21 ZINC000384863098 712703550 /nfs/dbraw/zinc/70/35/50/712703550.db2.gz DTXNFIPZBZYMRD-IMSYWVGJSA-N 1 0 200.282 -1.169 20 0 BAADRO CN(C(=O)CS(C)(=O)=O)C1CC([NH3+])C1 ZINC000384864429 367746082 /nfs/dbraw/zinc/74/60/82/367746082.db2.gz DZFSLXOUBTTZFP-UHFFFAOYSA-N 1 0 220.294 -1.021 20 0 BAADRO COCC(COC)N(C)C[C@H](O)C[NH3+] ZINC000384904423 711000086 /nfs/dbraw/zinc/00/00/86/711000086.db2.gz BPFPQIRYTPPNPA-SECBINFHSA-N 1 0 206.286 -1.101 20 0 BAADRO COCC(COC)N(C)C[C@@H](O)C[NH3+] ZINC000384904424 710999363 /nfs/dbraw/zinc/99/93/63/710999363.db2.gz BPFPQIRYTPPNPA-VIFPVBQESA-N 1 0 206.286 -1.101 20 0 BAADRO CN(C(=O)Cn1cnnn1)C1CC([NH3+])C1 ZINC000384938670 367762035 /nfs/dbraw/zinc/76/20/35/367762035.db2.gz UCYJBGXCIBHZPE-UHFFFAOYSA-N 1 0 210.241 -1.379 20 0 BAADRO CN(CCN1C(=O)CNC1=O)C1CC([NH3+])C1 ZINC000385069914 398130736 /nfs/dbraw/zinc/13/07/36/398130736.db2.gz VQONPZOHMUJYPY-UHFFFAOYSA-N 1 0 226.280 -1.040 20 0 BAADRO COCC(COC)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000385216837 711007528 /nfs/dbraw/zinc/00/75/28/711007528.db2.gz RADNMFSQDBIJFY-DTORHVGOSA-N 1 0 205.254 -1.315 20 0 BAADRO C[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)N1CCOCC1 ZINC000385269441 344384720 /nfs/dbraw/zinc/38/47/20/344384720.db2.gz SEMHFNBMQMTYCE-BDAKNGLRSA-N 1 0 249.336 -1.015 20 0 BAADRO C[C@H]1C[C@@H]([NH3+])CN1S(=O)(=O)N1CCOCC1 ZINC000385269446 344384787 /nfs/dbraw/zinc/38/47/87/344384787.db2.gz SEMHFNBMQMTYCE-DTWKUNHWSA-N 1 0 249.336 -1.015 20 0 BAADRO C[C@H]1C[C@H]([NH3+])CN1S(=O)(=O)N1CCOCC1 ZINC000385269448 344384537 /nfs/dbraw/zinc/38/45/37/344384537.db2.gz SEMHFNBMQMTYCE-IUCAKERBSA-N 1 0 249.336 -1.015 20 0 BAADRO C[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)N1CCOCC1 ZINC000385269451 344384865 /nfs/dbraw/zinc/38/48/65/344384865.db2.gz SEMHFNBMQMTYCE-RKDXNWHRSA-N 1 0 249.336 -1.015 20 0 BAADRO CC[N@H+](C)C[C@@H](O)CN(CCO)CCCO ZINC000385322594 388574416 /nfs/dbraw/zinc/57/44/16/388574416.db2.gz GATFYVQSOINPLZ-LLVKDONJSA-N 1 0 234.340 -1.024 20 0 BAADRO CC[N@H+](C)C[C@H](O)CN(CCO)CCCO ZINC000385322608 388574353 /nfs/dbraw/zinc/57/43/53/388574353.db2.gz GATFYVQSOINPLZ-NSHDSACASA-N 1 0 234.340 -1.024 20 0 BAADRO CCOC(=O)CC[C@@H](O)C[NH2+]C(CO)CO ZINC000385484140 358419989 /nfs/dbraw/zinc/41/99/89/358419989.db2.gz CBDKNKVZXNLYQF-SECBINFHSA-N 1 0 235.280 -1.367 20 0 BAADRO CCOC(=O)CC[C@H](O)C[NH2+]C(CO)CO ZINC000385484142 358420605 /nfs/dbraw/zinc/42/06/05/358420605.db2.gz CBDKNKVZXNLYQF-VIFPVBQESA-N 1 0 235.280 -1.367 20 0 BAADRO CN1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](C[NH3+])C1 ZINC000385512631 487942156 /nfs/dbraw/zinc/94/21/56/487942156.db2.gz ABGGVDKRVPIZMJ-UKKRHICBSA-N 1 0 239.319 -1.020 20 0 BAADRO CN1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](C[NH3+])C1 ZINC000385512632 487788720 /nfs/dbraw/zinc/78/87/20/487788720.db2.gz ABGGVDKRVPIZMJ-ZNSHCXBVSA-N 1 0 239.319 -1.020 20 0 BAADRO O=C(NCCN1CC[NH2+]CC1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000385522485 487788705 /nfs/dbraw/zinc/78/87/05/487788705.db2.gz BHCRCSRVFOSRJW-URLYPYJESA-N 1 0 239.319 -1.100 20 0 BAADRO O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000385523898 487788091 /nfs/dbraw/zinc/78/80/91/487788091.db2.gz IWOIQOJDOSNPAH-AXTSPUMRSA-N 1 0 226.276 -1.017 20 0 BAADRO O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000385523904 487788298 /nfs/dbraw/zinc/78/82/98/487788298.db2.gz IWOIQOJDOSNPAH-IMSYWVGJSA-N 1 0 226.276 -1.017 20 0 BAADRO CCOC(=O)CC[C@@H](O)C[NH2+]C[C@H](O)CO ZINC000385585791 367844933 /nfs/dbraw/zinc/84/49/33/367844933.db2.gz UHUDLNPRYZADSM-BDAKNGLRSA-N 1 0 235.280 -1.367 20 0 BAADRO CCOC(=O)CC[C@H](O)C[NH2+]C[C@@H](O)CO ZINC000385585792 367845183 /nfs/dbraw/zinc/84/51/83/367845183.db2.gz UHUDLNPRYZADSM-DTWKUNHWSA-N 1 0 235.280 -1.367 20 0 BAADRO CCOC(=O)CC[C@H](O)C[NH2+]C[C@H](O)CO ZINC000385585793 367843952 /nfs/dbraw/zinc/84/39/52/367843952.db2.gz UHUDLNPRYZADSM-IUCAKERBSA-N 1 0 235.280 -1.367 20 0 BAADRO CCOC(=O)CC[C@@H](O)C[NH2+]C[C@@H](O)CO ZINC000385585795 342834298 /nfs/dbraw/zinc/83/42/98/342834298.db2.gz UHUDLNPRYZADSM-RKDXNWHRSA-N 1 0 235.280 -1.367 20 0 BAADRO C[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)NC(N)=O ZINC000385928317 367883893 /nfs/dbraw/zinc/88/38/93/367883893.db2.gz ULBLOCKCKZNFBO-BQBZGAKWSA-N 1 0 215.253 -1.116 20 0 BAADRO C[C@H]1[C@@H](CO)CC[N@@H+]1CC(=O)NC(N)=O ZINC000385928318 367884361 /nfs/dbraw/zinc/88/43/61/367884361.db2.gz ULBLOCKCKZNFBO-NKWVEPMBSA-N 1 0 215.253 -1.116 20 0 BAADRO C[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)NC(N)=O ZINC000385928319 367884211 /nfs/dbraw/zinc/88/42/11/367884211.db2.gz ULBLOCKCKZNFBO-RNFRBKRXSA-N 1 0 215.253 -1.116 20 0 BAADRO C[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)NC(N)=O ZINC000385928320 367884313 /nfs/dbraw/zinc/88/43/13/367884313.db2.gz ULBLOCKCKZNFBO-RQJHMYQMSA-N 1 0 215.253 -1.116 20 0 BAADRO CN1CCC[NH+]=C1NCCNS(C)(=O)=O ZINC000386137386 711023037 /nfs/dbraw/zinc/02/30/37/711023037.db2.gz PXDMIHZMRCPVQR-UHFFFAOYSA-N 1 0 234.325 -1.183 20 0 BAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@@](C)(O)CO)C1 ZINC000386225639 367934041 /nfs/dbraw/zinc/93/40/41/367934041.db2.gz KXHIZJJPNNTMGV-PSASIEDQSA-N 1 0 216.281 -1.202 20 0 BAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@](C)(O)CO)C1 ZINC000386225641 367934342 /nfs/dbraw/zinc/93/43/42/367934342.db2.gz KXHIZJJPNNTMGV-SCZZXKLOSA-N 1 0 216.281 -1.202 20 0 BAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@@](C)(O)CO)C1 ZINC000386225643 367934510 /nfs/dbraw/zinc/93/45/10/367934510.db2.gz KXHIZJJPNNTMGV-WCBMZHEXSA-N 1 0 216.281 -1.202 20 0 BAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@](C)(O)CO)C1 ZINC000386225644 367933622 /nfs/dbraw/zinc/93/36/22/367933622.db2.gz KXHIZJJPNNTMGV-WPRPVWTQSA-N 1 0 216.281 -1.202 20 0 BAADRO C[N@@H+]1CC[C@H](C(=O)N2C[C@H](O)[C@@H](O)C2)C1 ZINC000386259198 398264212 /nfs/dbraw/zinc/26/42/12/398264212.db2.gz UVQNAXKZUWESSF-CIUDSAMLSA-N 1 0 214.265 -1.498 20 0 BAADRO COC(=O)[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000386321906 367949890 /nfs/dbraw/zinc/94/98/90/367949890.db2.gz NQLVIEKAOISBQF-SFYZADRCSA-N 1 0 230.264 -1.412 20 0 BAADRO COC(=O)[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000386321908 367950272 /nfs/dbraw/zinc/95/02/72/367950272.db2.gz NQLVIEKAOISBQF-YUMQZZPRSA-N 1 0 230.264 -1.412 20 0 BAADRO C[C@@H]1CN(C[C@@H]2C[NH2+]CCO2)CC(=O)N1 ZINC000386918375 487902417 /nfs/dbraw/zinc/90/24/17/487902417.db2.gz OWOUPYREPFTTPE-BDAKNGLRSA-N 1 0 213.281 -1.205 20 0 BAADRO C[C@H]1CN(C[C@H]2C[NH2+]CCO2)CC(=O)N1 ZINC000386918390 487902262 /nfs/dbraw/zinc/90/22/62/487902262.db2.gz OWOUPYREPFTTPE-DTWKUNHWSA-N 1 0 213.281 -1.205 20 0 BAADRO C[C@H]1CN(C[C@@H]2C[NH2+]CCO2)CC(=O)N1 ZINC000386918391 487901401 /nfs/dbraw/zinc/90/14/01/487901401.db2.gz OWOUPYREPFTTPE-IUCAKERBSA-N 1 0 213.281 -1.205 20 0 BAADRO C[C@@H]1CN(C[C@H]2C[NH2+]CCO2)CC(=O)N1 ZINC000386918393 487901459 /nfs/dbraw/zinc/90/14/59/487901459.db2.gz OWOUPYREPFTTPE-RKDXNWHRSA-N 1 0 213.281 -1.205 20 0 BAADRO C[C@@H]1CN(CCOCC[NH3+])CC(=O)N1 ZINC000386921093 368035554 /nfs/dbraw/zinc/03/55/54/368035554.db2.gz PIVOBAOCADWUMA-MRVPVSSYSA-N 1 0 201.270 -1.218 20 0 BAADRO C[C@H]1CN(CCOCC[NH3+])CC(=O)N1 ZINC000386921098 368035609 /nfs/dbraw/zinc/03/56/09/368035609.db2.gz PIVOBAOCADWUMA-QMMMGPOBSA-N 1 0 201.270 -1.218 20 0 BAADRO Cc1nc(N)nc(N2CC(=O)N[C@H](C)C2)n1 ZINC000387019497 398225043 /nfs/dbraw/zinc/22/50/43/398225043.db2.gz OODTXINDKQKCKY-RXMQYKEDSA-N 1 0 222.252 -1.083 20 0 BAADRO Cc1nc(N)nc(N2CC(=O)N[C@@H](C)C2)n1 ZINC000387019499 398225473 /nfs/dbraw/zinc/22/54/73/398225473.db2.gz OODTXINDKQKCKY-YFKPBYRVSA-N 1 0 222.252 -1.083 20 0 BAADRO CC1(C)C[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC000387941491 347130776 /nfs/dbraw/zinc/13/07/76/347130776.db2.gz FHTBAGQXDBMGPT-LURJTMIESA-N 1 0 215.253 -1.116 20 0 BAADRO CC1(C)C[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC000387941501 347130921 /nfs/dbraw/zinc/13/09/21/347130921.db2.gz FHTBAGQXDBMGPT-ZCFIWIBFSA-N 1 0 215.253 -1.116 20 0 BAADRO CC(C)[N@H+](CCO)CCS(N)(=O)=O ZINC000388598855 711911989 /nfs/dbraw/zinc/91/19/89/711911989.db2.gz DVEDXFJLKJVSDB-UHFFFAOYSA-N 1 0 210.299 -1.022 20 0 BAADRO CC[N@H+](CCOCCO)C[C@@H](O)CO ZINC000388844053 711068821 /nfs/dbraw/zinc/06/88/21/711068821.db2.gz XUSVZPCAMPDSRK-SECBINFHSA-N 1 0 207.270 -1.330 20 0 BAADRO CC[N@H+](CCOCCO)C[C@H](O)CO ZINC000388844056 711069681 /nfs/dbraw/zinc/06/96/81/711069681.db2.gz XUSVZPCAMPDSRK-VIFPVBQESA-N 1 0 207.270 -1.330 20 0 BAADRO COC[C@H](O)C[NH2+]C1COCCOC1 ZINC000389215980 398050977 /nfs/dbraw/zinc/05/09/77/398050977.db2.gz KNHTVEGPDYCQSY-SECBINFHSA-N 1 0 205.254 -1.001 20 0 BAADRO COC[C@@H](O)C[NH2+]C1COCCOC1 ZINC000389216002 398050481 /nfs/dbraw/zinc/05/04/81/398050481.db2.gz KNHTVEGPDYCQSY-VIFPVBQESA-N 1 0 205.254 -1.001 20 0 BAADRO CNC(=O)NC(=O)CN(C)C[C@H](C)[NH3+] ZINC000389246267 711074493 /nfs/dbraw/zinc/07/44/93/711074493.db2.gz BBOVTTCZWCWFCS-LURJTMIESA-N 1 0 202.258 -1.279 20 0 BAADRO CNC(=O)NC(=O)CN(C)C[C@@H](C)[NH3+] ZINC000389246270 711074713 /nfs/dbraw/zinc/07/47/13/711074713.db2.gz BBOVTTCZWCWFCS-ZCFIWIBFSA-N 1 0 202.258 -1.279 20 0 BAADRO COCCOCC[N@H+](C)C[C@@H](O)CO ZINC000389264337 711074453 /nfs/dbraw/zinc/07/44/53/711074453.db2.gz IYDKUFAPPIAFMZ-SECBINFHSA-N 1 0 207.270 -1.066 20 0 BAADRO COCCOCC[N@H+](C)C[C@H](O)CO ZINC000389264338 711074749 /nfs/dbraw/zinc/07/47/49/711074749.db2.gz IYDKUFAPPIAFMZ-VIFPVBQESA-N 1 0 207.270 -1.066 20 0 BAADRO CC[C@H](C)[C@H]([NH2+]C[C@H](O)CO)C(N)=O ZINC000389320471 711075808 /nfs/dbraw/zinc/07/58/08/711075808.db2.gz RLDOLUVBMJXVAN-FXQIFTODSA-N 1 0 204.270 -1.171 20 0 BAADRO CC[C@H](C)[C@H]([NH2+]C[C@@H](O)CO)C(N)=O ZINC000389320473 711075895 /nfs/dbraw/zinc/07/58/95/711075895.db2.gz RLDOLUVBMJXVAN-RNJXMRFFSA-N 1 0 204.270 -1.171 20 0 BAADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH3+])C1 ZINC000389333140 488089658 /nfs/dbraw/zinc/08/96/58/488089658.db2.gz IANTXAWXLKMWCR-SECBINFHSA-N 1 0 242.323 -1.338 20 0 BAADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[NH3+])C1 ZINC000389333155 488089914 /nfs/dbraw/zinc/08/99/14/488089914.db2.gz IANTXAWXLKMWCR-VIFPVBQESA-N 1 0 242.323 -1.338 20 0 BAADRO CC[N@H+](C)C[C@@H](O)CN1C[C@@H](O)[C@@H](O)C1 ZINC000389660117 488104715 /nfs/dbraw/zinc/10/47/15/488104715.db2.gz FTRJYGLIJBYDBH-BBBLOLIVSA-N 1 0 218.297 -1.664 20 0 BAADRO CC[N@H+](C)C[C@H](O)CN1C[C@H](O)[C@@H](O)C1 ZINC000389660129 397986957 /nfs/dbraw/zinc/98/69/57/397986957.db2.gz FTRJYGLIJBYDBH-GUBZILKMSA-N 1 0 218.297 -1.664 20 0 BAADRO CC[N@H+](C)C[C@H](O)CN1C[C@@H](O)[C@@H](O)C1 ZINC000389660133 488104545 /nfs/dbraw/zinc/10/45/45/488104545.db2.gz FTRJYGLIJBYDBH-LPEHRKFASA-N 1 0 218.297 -1.664 20 0 BAADRO CN1C[C@H](NC(=O)COCC[NH3+])CC1=O ZINC000389666974 490268617 /nfs/dbraw/zinc/26/86/17/490268617.db2.gz PNNOTHZZBRYTOG-SSDOTTSWSA-N 1 0 215.253 -1.691 20 0 BAADRO CN1C[C@@H](NC(=O)COCC[NH3+])CC1=O ZINC000389666986 490268566 /nfs/dbraw/zinc/26/85/66/490268566.db2.gz PNNOTHZZBRYTOG-ZETCQYMHSA-N 1 0 215.253 -1.691 20 0 BAADRO C[C@@H](O)CN(CCO)Cc1cnn(C)n1 ZINC000389683108 711086974 /nfs/dbraw/zinc/08/69/74/711086974.db2.gz FUFPVOKHSPRCGQ-MRVPVSSYSA-N 1 0 214.269 -1.010 20 0 BAADRO C[C@H](O)CN(CCO)Cc1cnn(C)n1 ZINC000389683117 711086627 /nfs/dbraw/zinc/08/66/27/711086627.db2.gz FUFPVOKHSPRCGQ-QMMMGPOBSA-N 1 0 214.269 -1.010 20 0 BAADRO COCCN(C)C[C@@H](O)C[N@H+](C)CCO ZINC000389732565 357021229 /nfs/dbraw/zinc/02/12/29/357021229.db2.gz STZJNSAAWORQHW-JTQLQIEISA-N 1 0 220.313 -1.150 20 0 BAADRO COCCN(C)C[C@H](O)C[N@H+](C)CCO ZINC000389732569 357020890 /nfs/dbraw/zinc/02/08/90/357020890.db2.gz STZJNSAAWORQHW-SNVBAGLBSA-N 1 0 220.313 -1.150 20 0 BAADRO CCOC[C@H](O)C[NH2+]CC(C)(CO)CO ZINC000389732763 357020937 /nfs/dbraw/zinc/02/09/37/357020937.db2.gz SWAITRDZSQXMRV-SECBINFHSA-N 1 0 221.297 -1.036 20 0 BAADRO CCOC[C@@H](O)C[NH2+]CC(C)(CO)CO ZINC000389732775 357020859 /nfs/dbraw/zinc/02/08/59/357020859.db2.gz SWAITRDZSQXMRV-VIFPVBQESA-N 1 0 221.297 -1.036 20 0 BAADRO CNC(=O)[C@H](O)CNc1ccnc(C)n1 ZINC000389863567 711093774 /nfs/dbraw/zinc/09/37/74/711093774.db2.gz FPAPLIYPZCDXCH-SSDOTTSWSA-N 1 0 210.237 -1.274 20 0 BAADRO CNC(=O)[C@@H](O)CNc1ccnc(C)n1 ZINC000389863568 711094311 /nfs/dbraw/zinc/09/43/11/711094311.db2.gz FPAPLIYPZCDXCH-ZETCQYMHSA-N 1 0 210.237 -1.274 20 0 BAADRO CS(=O)(=O)NCCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000389888430 351044640 /nfs/dbraw/zinc/04/46/40/351044640.db2.gz TZWGSRNXOZGOKZ-IUCAKERBSA-N 1 0 233.337 -1.313 20 0 BAADRO CS(=O)(=O)NCCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000389888431 351044652 /nfs/dbraw/zinc/04/46/52/351044652.db2.gz TZWGSRNXOZGOKZ-RKDXNWHRSA-N 1 0 233.337 -1.313 20 0 BAADRO CNS(=O)(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000390055233 711105260 /nfs/dbraw/zinc/10/52/60/711105260.db2.gz HWDURAXRDQUCAP-SSDOTTSWSA-N 1 0 223.298 -1.581 20 0 BAADRO CNS(=O)(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000390055236 711105215 /nfs/dbraw/zinc/10/52/15/711105215.db2.gz HWDURAXRDQUCAP-ZETCQYMHSA-N 1 0 223.298 -1.581 20 0 BAADRO CCS(=O)(=O)NCCNC(=O)[C@H](C)[NH2+]C ZINC000390110541 357082140 /nfs/dbraw/zinc/08/21/40/357082140.db2.gz ALHMQBPGTMYFTM-ZETCQYMHSA-N 1 0 237.325 -1.350 20 0 BAADRO CCS(=O)(=O)NCCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000390131397 347255231 /nfs/dbraw/zinc/25/52/31/347255231.db2.gz BXUOVZHYZLFRDG-MRVPVSSYSA-N 1 0 249.336 -1.349 20 0 BAADRO CCS(=O)(=O)NCCNC(=O)[C@H]1CC[NH2+]C1 ZINC000390131405 347255318 /nfs/dbraw/zinc/25/53/18/347255318.db2.gz BXUOVZHYZLFRDG-QMMMGPOBSA-N 1 0 249.336 -1.349 20 0 BAADRO Cc1cc(NC[C@H](C)S(N)(=O)=O)nc(N)[nH+]1 ZINC000390202145 711108472 /nfs/dbraw/zinc/10/84/72/711108472.db2.gz QWNLKVZPPLPYRG-LURJTMIESA-N 1 0 245.308 -1.292 20 0 BAADRO Cc1cc(NC[C@@H](C)S(N)(=O)=O)nc(N)[nH+]1 ZINC000390202146 711108402 /nfs/dbraw/zinc/10/84/02/711108402.db2.gz QWNLKVZPPLPYRG-ZCFIWIBFSA-N 1 0 245.308 -1.292 20 0 BAADRO CCS(=O)(=O)NCCNC(=[NH2+])NC ZINC000390255770 712391469 /nfs/dbraw/zinc/39/14/69/712391469.db2.gz GIWIQFLSISRGOP-UHFFFAOYSA-N 1 0 208.287 -1.331 20 0 BAADRO CCS(=O)(=O)NCCNC(=O)C1([NH3+])CCC1 ZINC000390260712 347298945 /nfs/dbraw/zinc/29/89/45/347298945.db2.gz OJSDQAYXIHPHEC-UHFFFAOYSA-N 1 0 249.336 -1.077 20 0 BAADRO CCS(=O)(=O)NCC[NH2+]C[C@@H](O)COC ZINC000390306400 357085941 /nfs/dbraw/zinc/08/59/41/357085941.db2.gz BIHWIOIHRFRDHW-MRVPVSSYSA-N 1 0 240.325 -1.477 20 0 BAADRO CCS(=O)(=O)NCC[NH2+]C[C@H](O)COC ZINC000390306405 357085649 /nfs/dbraw/zinc/08/56/49/357085649.db2.gz BIHWIOIHRFRDHW-QMMMGPOBSA-N 1 0 240.325 -1.477 20 0 BAADRO CN(C)C(=O)CCCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000390376096 259387219 /nfs/dbraw/zinc/38/72/19/259387219.db2.gz WHWRJFZPIRJVKN-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO CN(C)C(=O)CCCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000390376097 259387138 /nfs/dbraw/zinc/38/71/38/259387138.db2.gz WHWRJFZPIRJVKN-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO CC[NH2+]CC(=O)NCCNS(=O)(=O)CC ZINC000390402621 711115644 /nfs/dbraw/zinc/11/56/44/711115644.db2.gz UGQZISGNFINLRC-UHFFFAOYSA-N 1 0 237.325 -1.349 20 0 BAADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC000390415265 259387839 /nfs/dbraw/zinc/38/78/39/259387839.db2.gz GYNQSNPBFLMQMO-HTQZYQBOSA-N 1 0 249.336 -1.078 20 0 BAADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CC(N)=O ZINC000390415266 259387744 /nfs/dbraw/zinc/38/77/44/259387744.db2.gz GYNQSNPBFLMQMO-JGVFFNPUSA-N 1 0 249.336 -1.078 20 0 BAADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC000390415267 259387822 /nfs/dbraw/zinc/38/78/22/259387822.db2.gz GYNQSNPBFLMQMO-SFYZADRCSA-N 1 0 249.336 -1.078 20 0 BAADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CC(N)=O ZINC000390415268 259387723 /nfs/dbraw/zinc/38/77/23/259387723.db2.gz GYNQSNPBFLMQMO-YUMQZZPRSA-N 1 0 249.336 -1.078 20 0 BAADRO COC(=O)[C@H](C)CNC(=O)COCC[NH3+] ZINC000390422477 371201033 /nfs/dbraw/zinc/20/10/33/371201033.db2.gz KNVDUDFQVDLJHK-SSDOTTSWSA-N 1 0 218.253 -1.113 20 0 BAADRO COC(=O)[C@@H](C)CNC(=O)COCC[NH3+] ZINC000390422478 371201343 /nfs/dbraw/zinc/20/13/43/371201343.db2.gz KNVDUDFQVDLJHK-ZETCQYMHSA-N 1 0 218.253 -1.113 20 0 BAADRO CC(C)[N@H+](C)C[C@@H](O)CN(CCO)CCO ZINC000390475194 397891187 /nfs/dbraw/zinc/89/11/87/397891187.db2.gz ITTIJVOERSZBTN-LLVKDONJSA-N 1 0 234.340 -1.026 20 0 BAADRO CC(C)[N@H+](C)C[C@H](O)CN(CCO)CCO ZINC000390475196 410024567 /nfs/dbraw/zinc/02/45/67/410024567.db2.gz ITTIJVOERSZBTN-NSHDSACASA-N 1 0 234.340 -1.026 20 0 BAADRO C[C@H](CC[NH3+])NC(=O)CCNS(C)(=O)=O ZINC000390507273 357098874 /nfs/dbraw/zinc/09/88/74/357098874.db2.gz XSIUESBXDSWHLT-SSDOTTSWSA-N 1 0 237.325 -1.221 20 0 BAADRO C[C@@H](CC[NH3+])NC(=O)CCNS(C)(=O)=O ZINC000390507274 357098839 /nfs/dbraw/zinc/09/88/39/357098839.db2.gz XSIUESBXDSWHLT-ZETCQYMHSA-N 1 0 237.325 -1.221 20 0 BAADRO CS(=O)(=O)NCC[NH2+]C1(C(N)=O)CCCC1 ZINC000390587055 711126737 /nfs/dbraw/zinc/12/67/37/711126737.db2.gz YLTRVTPCJMWBDD-UHFFFAOYSA-N 1 0 249.336 -1.077 20 0 BAADRO Cn1ncc(C[NH2+]CCCNS(C)(=O)=O)n1 ZINC000390611779 711128475 /nfs/dbraw/zinc/12/84/75/711128475.db2.gz BGARMMMZCMEQSO-UHFFFAOYSA-N 1 0 247.324 -1.156 20 0 BAADRO NC(=O)NC(=O)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000390633857 712422857 /nfs/dbraw/zinc/42/28/57/712422857.db2.gz JFVJPERKHNYBIM-JGVFFNPUSA-N 1 0 226.280 -1.277 20 0 BAADRO C[C@@H]([NH3+])CNC(=O)CN1CCCS1(=O)=O ZINC000390678555 398200925 /nfs/dbraw/zinc/20/09/25/398200925.db2.gz YSWJRDABWGPWJG-SSDOTTSWSA-N 1 0 235.309 -1.515 20 0 BAADRO C[C@H]([NH3+])CNC(=O)CN1CCCS1(=O)=O ZINC000390678556 398200922 /nfs/dbraw/zinc/20/09/22/398200922.db2.gz YSWJRDABWGPWJG-ZETCQYMHSA-N 1 0 235.309 -1.515 20 0 BAADRO O[C@H](CN1C[C@@H](O)[C@@H](O)C1)C[NH+]1CCCC1 ZINC000390680736 711132194 /nfs/dbraw/zinc/13/21/94/711132194.db2.gz XHUHVFCXAOKHIV-GARJFASQSA-N 1 0 230.308 -1.520 20 0 BAADRO O[C@@H](CN1C[C@@H](O)[C@@H](O)C1)C[NH+]1CCCC1 ZINC000390680739 711131988 /nfs/dbraw/zinc/13/19/88/711131988.db2.gz XHUHVFCXAOKHIV-MXWKQRLJSA-N 1 0 230.308 -1.520 20 0 BAADRO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCNC(=O)C1 ZINC000390752568 398247386 /nfs/dbraw/zinc/24/73/86/398247386.db2.gz DVHRNHWMNVUXIL-QMSLJYSESA-N 1 0 209.249 -1.590 20 0 BAADRO C[NH2+]CCCNC(=O)CCNS(C)(=O)=O ZINC000390753398 357114732 /nfs/dbraw/zinc/11/47/32/357114732.db2.gz FIPDXJWHQBBTDV-UHFFFAOYSA-N 1 0 237.325 -1.349 20 0 BAADRO C[NH2+]CCNC(=O)CN1CCCNC1=O ZINC000390817393 259415647 /nfs/dbraw/zinc/41/56/47/259415647.db2.gz ODZLDSNFKROGHJ-UHFFFAOYSA-N 1 0 214.269 -1.263 20 0 BAADRO CCN1C[C@H](NC(=O)[C@@H](C[NH3+])OC)CC1=O ZINC000391601021 371310922 /nfs/dbraw/zinc/31/09/22/371310922.db2.gz GEZCOUJMDRSWOK-HTQZYQBOSA-N 1 0 229.280 -1.303 20 0 BAADRO CCN1C[C@@H](NC(=O)[C@@H](C[NH3+])OC)CC1=O ZINC000391601026 371311015 /nfs/dbraw/zinc/31/10/15/371311015.db2.gz GEZCOUJMDRSWOK-JGVFFNPUSA-N 1 0 229.280 -1.303 20 0 BAADRO CCN1C[C@H](NC(=O)[C@H](C[NH3+])OC)CC1=O ZINC000391601029 371311134 /nfs/dbraw/zinc/31/11/34/371311134.db2.gz GEZCOUJMDRSWOK-SFYZADRCSA-N 1 0 229.280 -1.303 20 0 BAADRO CCN1C[C@@H](NC(=O)[C@H](C[NH3+])OC)CC1=O ZINC000391601033 371311202 /nfs/dbraw/zinc/31/12/02/371311202.db2.gz GEZCOUJMDRSWOK-YUMQZZPRSA-N 1 0 229.280 -1.303 20 0 BAADRO CCN1C[C@H](NC(=O)C[NH2+]CCOC)CC1=O ZINC000391622269 357132724 /nfs/dbraw/zinc/13/27/24/357132724.db2.gz OEZSJNXKRRQXLF-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO CCN1C[C@@H](NC(=O)C[NH2+]CCOC)CC1=O ZINC000391622270 357132812 /nfs/dbraw/zinc/13/28/12/357132812.db2.gz OEZSJNXKRRQXLF-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO CCN1C[C@H](NC(=O)COCC[NH3+])CC1=O ZINC000391667834 398288127 /nfs/dbraw/zinc/28/81/27/398288127.db2.gz RPOGVIGEKKJWKW-MRVPVSSYSA-N 1 0 229.280 -1.301 20 0 BAADRO CCN1C[C@@H](NC(=O)COCC[NH3+])CC1=O ZINC000391667835 398288157 /nfs/dbraw/zinc/28/81/57/398288157.db2.gz RPOGVIGEKKJWKW-QMMMGPOBSA-N 1 0 229.280 -1.301 20 0 BAADRO CCN1C[C@H](NC(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1=O ZINC000391726290 371317656 /nfs/dbraw/zinc/31/76/56/371317656.db2.gz MMWAQZXIGHSNHD-HRDYMLBCSA-N 1 0 241.291 -1.554 20 0 BAADRO CCN1C[C@H](NC(=O)[C@@H]2C[NH2+]CCO2)CC1=O ZINC000391734399 398293128 /nfs/dbraw/zinc/29/31/28/398293128.db2.gz QLMVFEITBNZECI-BDAKNGLRSA-N 1 0 241.291 -1.288 20 0 BAADRO CCN1C[C@@H](NC(=O)[C@H]2C[NH2+]CCO2)CC1=O ZINC000391734401 398293050 /nfs/dbraw/zinc/29/30/50/398293050.db2.gz QLMVFEITBNZECI-DTWKUNHWSA-N 1 0 241.291 -1.288 20 0 BAADRO CCN1C[C@@H](NC(=O)[C@@H]2C[NH2+]CCO2)CC1=O ZINC000391734403 398293045 /nfs/dbraw/zinc/29/30/45/398293045.db2.gz QLMVFEITBNZECI-IUCAKERBSA-N 1 0 241.291 -1.288 20 0 BAADRO CCN1C[C@H](NC(=O)[C@H]2C[NH2+]CCO2)CC1=O ZINC000391734406 398292970 /nfs/dbraw/zinc/29/29/70/398292970.db2.gz QLMVFEITBNZECI-RKDXNWHRSA-N 1 0 241.291 -1.288 20 0 BAADRO O=C(CNC(=O)[C@H]1CC[NH2+]1)NCC1CC1 ZINC000393056662 357267392 /nfs/dbraw/zinc/26/73/92/357267392.db2.gz BISBQJOBLJEJKM-MRVPVSSYSA-N 1 0 211.265 -1.009 20 0 BAADRO O=C(CNC(=O)[C@H]1C[NH2+]CCO1)NCC1CC1 ZINC000393136187 387345213 /nfs/dbraw/zinc/34/52/13/387345213.db2.gz NJNFTZWKNJBAEV-SECBINFHSA-N 1 0 241.291 -1.383 20 0 BAADRO O=C(CNC(=O)[C@@H]1C[NH2+]CCO1)NCC1CC1 ZINC000393136199 410297589 /nfs/dbraw/zinc/29/75/89/410297589.db2.gz NJNFTZWKNJBAEV-VIFPVBQESA-N 1 0 241.291 -1.383 20 0 BAADRO COCC[NH2+]CC(=O)NCC(=O)NCC1CC1 ZINC000393147794 487961293 /nfs/dbraw/zinc/96/12/93/487961293.db2.gz GFPPVKMSTVNUKT-UHFFFAOYSA-N 1 0 243.307 -1.135 20 0 BAADRO CO[C@@H](C[NH3+])CC(=O)NCC(=O)NCC1CC1 ZINC000393169703 488079217 /nfs/dbraw/zinc/07/92/17/488079217.db2.gz OGUHMWBBPAMXFU-SECBINFHSA-N 1 0 243.307 -1.007 20 0 BAADRO CO[C@H](C[NH3+])CC(=O)NCC(=O)NCC1CC1 ZINC000393169706 488079151 /nfs/dbraw/zinc/07/91/51/488079151.db2.gz OGUHMWBBPAMXFU-VIFPVBQESA-N 1 0 243.307 -1.007 20 0 BAADRO CC[N@H+](C)C[C@H](O)CN(CCO)CCO ZINC000393738301 357294687 /nfs/dbraw/zinc/29/46/87/357294687.db2.gz ZNIVWGRHTADJOB-JTQLQIEISA-N 1 0 220.313 -1.414 20 0 BAADRO CC[N@H+](C)C[C@@H](O)CN(CCO)CCO ZINC000393738312 357294590 /nfs/dbraw/zinc/29/45/90/357294590.db2.gz ZNIVWGRHTADJOB-SNVBAGLBSA-N 1 0 220.313 -1.414 20 0 BAADRO Cc1c(S(=O)(=O)NC2C[NH2+]C2)cnn1C ZINC000393744171 357295682 /nfs/dbraw/zinc/29/56/82/357295682.db2.gz LDNMQHVSLBDRNJ-UHFFFAOYSA-N 1 0 230.293 -1.021 20 0 BAADRO NC(=O)NC(=O)CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000393747040 357295382 /nfs/dbraw/zinc/29/53/82/357295382.db2.gz NGQMSNMDABYASB-HTQZYQBOSA-N 1 0 226.280 -1.135 20 0 BAADRO NC(=O)NC(=O)CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000393747041 357295506 /nfs/dbraw/zinc/29/55/06/357295506.db2.gz NGQMSNMDABYASB-JGVFFNPUSA-N 1 0 226.280 -1.135 20 0 BAADRO NC(=O)NC(=O)CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000393747044 357295787 /nfs/dbraw/zinc/29/57/87/357295787.db2.gz NGQMSNMDABYASB-SFYZADRCSA-N 1 0 226.280 -1.135 20 0 BAADRO NC(=O)NC(=O)CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000393747047 357295482 /nfs/dbraw/zinc/29/54/82/357295482.db2.gz NGQMSNMDABYASB-YUMQZZPRSA-N 1 0 226.280 -1.135 20 0 BAADRO CN(C[C@H](O)C[NH2+]C[C@@](C)(O)CO)C1CC1 ZINC000393769345 357297332 /nfs/dbraw/zinc/29/73/32/357297332.db2.gz RVRQARNOQRUOTP-GHMZBOCLSA-N 1 0 232.324 -1.226 20 0 BAADRO CN(C[C@H](O)C[NH2+]C[C@](C)(O)CO)C1CC1 ZINC000393769350 357297506 /nfs/dbraw/zinc/29/75/06/357297506.db2.gz RVRQARNOQRUOTP-MNOVXSKESA-N 1 0 232.324 -1.226 20 0 BAADRO CN(C[C@@H](O)C[NH2+]C[C@](C)(O)CO)C1CC1 ZINC000393769352 357297294 /nfs/dbraw/zinc/29/72/94/357297294.db2.gz RVRQARNOQRUOTP-QWRGUYRKSA-N 1 0 232.324 -1.226 20 0 BAADRO CN(C[C@@H](O)C[NH2+]C[C@@](C)(O)CO)C1CC1 ZINC000393769354 357297833 /nfs/dbraw/zinc/29/78/33/357297833.db2.gz RVRQARNOQRUOTP-WDEREUQCSA-N 1 0 232.324 -1.226 20 0 BAADRO CC(CO)(CO)C[NH2+]C[C@H](O)Cn1cccn1 ZINC000393865760 357304319 /nfs/dbraw/zinc/30/43/19/357304319.db2.gz MAZMKTBRKUNDRE-JTQLQIEISA-N 1 0 243.307 -1.176 20 0 BAADRO CC(CO)(CO)C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000393865761 357304330 /nfs/dbraw/zinc/30/43/30/357304330.db2.gz MAZMKTBRKUNDRE-SNVBAGLBSA-N 1 0 243.307 -1.176 20 0 BAADRO C[NH+](C)CC(=O)NCC(C)(CO)CO ZINC000393872741 357304240 /nfs/dbraw/zinc/30/42/40/357304240.db2.gz ODKCAFGELIBZIU-UHFFFAOYSA-N 1 0 204.270 -1.345 20 0 BAADRO C[NH+](C)CC(=O)N[C@@]1(CO)CCOC1 ZINC000393880086 386749531 /nfs/dbraw/zinc/74/95/31/386749531.db2.gz IOBMOBAUCQOPJU-SECBINFHSA-N 1 0 202.254 -1.184 20 0 BAADRO C[NH+](C)CC(=O)N[C@]1(CO)CCOC1 ZINC000393880089 386749406 /nfs/dbraw/zinc/74/94/06/386749406.db2.gz IOBMOBAUCQOPJU-VIFPVBQESA-N 1 0 202.254 -1.184 20 0 BAADRO CN1CC[NH2+]C[C@H]1CNC(=O)Cn1cccn1 ZINC000394069739 357322902 /nfs/dbraw/zinc/32/29/02/357322902.db2.gz CQLXVFDJNOKYHY-JTQLQIEISA-N 1 0 237.307 -1.097 20 0 BAADRO CN1CC[NH2+]C[C@@H]1CNC(=O)Cn1cccn1 ZINC000394069747 357323041 /nfs/dbraw/zinc/32/30/41/357323041.db2.gz CQLXVFDJNOKYHY-SNVBAGLBSA-N 1 0 237.307 -1.097 20 0 BAADRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCOCC1 ZINC000394069809 357323061 /nfs/dbraw/zinc/32/30/61/357323061.db2.gz CUVUDNUUNXYDRO-JTQLQIEISA-N 1 0 242.323 -1.068 20 0 BAADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCOCC1 ZINC000394069812 357322981 /nfs/dbraw/zinc/32/29/81/357322981.db2.gz CUVUDNUUNXYDRO-SNVBAGLBSA-N 1 0 242.323 -1.068 20 0 BAADRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1nnc[nH]1 ZINC000394074473 398186319 /nfs/dbraw/zinc/18/63/19/398186319.db2.gz GZCIXZBRQZFZDY-SSDOTTSWSA-N 1 0 224.268 -1.562 20 0 BAADRO CN1CC[NH2+]C[C@H]1CNC(=O)c1nnc[nH]1 ZINC000394074476 357322824 /nfs/dbraw/zinc/32/28/24/357322824.db2.gz GZCIXZBRQZFZDY-ZETCQYMHSA-N 1 0 224.268 -1.562 20 0 BAADRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1cn[nH]n1 ZINC000394074982 357322796 /nfs/dbraw/zinc/32/27/96/357322796.db2.gz KHXCNMZHBYGHFU-SSDOTTSWSA-N 1 0 224.268 -1.562 20 0 BAADRO CN1CC[NH2+]C[C@H]1CNC(=O)c1cn[nH]n1 ZINC000394074985 357323078 /nfs/dbraw/zinc/32/30/78/357323078.db2.gz KHXCNMZHBYGHFU-ZETCQYMHSA-N 1 0 224.268 -1.562 20 0 BAADRO CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]1CNC(=O)C1 ZINC000394076850 357323075 /nfs/dbraw/zinc/32/30/75/357323075.db2.gz APZHNCBEWSSCOT-BDAKNGLRSA-N 1 0 240.307 -1.858 20 0 BAADRO CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1CNC(=O)C1 ZINC000394076852 357322852 /nfs/dbraw/zinc/32/28/52/357322852.db2.gz APZHNCBEWSSCOT-DTWKUNHWSA-N 1 0 240.307 -1.858 20 0 BAADRO CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H]1CNC(=O)C1 ZINC000394076854 357322970 /nfs/dbraw/zinc/32/29/70/357322970.db2.gz APZHNCBEWSSCOT-IUCAKERBSA-N 1 0 240.307 -1.858 20 0 BAADRO CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]1CNC(=O)C1 ZINC000394076858 357322956 /nfs/dbraw/zinc/32/29/56/357322956.db2.gz APZHNCBEWSSCOT-RKDXNWHRSA-N 1 0 240.307 -1.858 20 0 BAADRO COCC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000394078704 631270203 /nfs/dbraw/zinc/27/02/03/631270203.db2.gz WVCPRDNTKFJIMN-MRVPVSSYSA-N 1 0 201.270 -1.347 20 0 BAADRO COCC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000394078707 631269793 /nfs/dbraw/zinc/26/97/93/631269793.db2.gz WVCPRDNTKFJIMN-QMMMGPOBSA-N 1 0 201.270 -1.347 20 0 BAADRO CN1CC[NH2+]C[C@@H]1CNC(=O)Cn1cnnn1 ZINC000394080512 357323441 /nfs/dbraw/zinc/32/34/41/357323441.db2.gz GKVPROXFOZFKHE-MRVPVSSYSA-N 1 0 239.283 -2.307 20 0 BAADRO CN1CC[NH2+]C[C@H]1CNC(=O)Cn1cnnn1 ZINC000394080513 357323815 /nfs/dbraw/zinc/32/38/15/357323815.db2.gz GKVPROXFOZFKHE-QMMMGPOBSA-N 1 0 239.283 -2.307 20 0 BAADRO CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]1COCCO1 ZINC000394086894 388450531 /nfs/dbraw/zinc/45/05/31/388450531.db2.gz VNYFXJPLERTRID-NXEZZACHSA-N 1 0 243.307 -1.578 20 0 BAADRO CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H]1COCCO1 ZINC000394086897 388450725 /nfs/dbraw/zinc/45/07/25/388450725.db2.gz VNYFXJPLERTRID-UWVGGRQHSA-N 1 0 243.307 -1.578 20 0 BAADRO CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]1COCCO1 ZINC000394086898 384577161 /nfs/dbraw/zinc/57/71/61/384577161.db2.gz VNYFXJPLERTRID-VHSXEESVSA-N 1 0 243.307 -1.578 20 0 BAADRO CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1COCCO1 ZINC000394086900 384577063 /nfs/dbraw/zinc/57/70/63/384577063.db2.gz VNYFXJPLERTRID-ZJUUUORDSA-N 1 0 243.307 -1.578 20 0 BAADRO COCCOCC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000394094564 357323871 /nfs/dbraw/zinc/32/38/71/357323871.db2.gz KPQIZSPQRHWXMJ-JTQLQIEISA-N 1 0 245.323 -1.331 20 0 BAADRO COCCOCC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000394094568 357323631 /nfs/dbraw/zinc/32/36/31/357323631.db2.gz KPQIZSPQRHWXMJ-SNVBAGLBSA-N 1 0 245.323 -1.331 20 0 BAADRO CN1CC[NH2+]C[C@@H]1CNS(=O)(=O)C1CC1 ZINC000394400000 357354986 /nfs/dbraw/zinc/35/49/86/357354986.db2.gz GYYUIRXBHXJHRN-MRVPVSSYSA-N 1 0 233.337 -1.028 20 0 BAADRO CN1CC[NH2+]C[C@H]1CNS(=O)(=O)C1CC1 ZINC000394400004 357355119 /nfs/dbraw/zinc/35/51/19/357355119.db2.gz GYYUIRXBHXJHRN-QMMMGPOBSA-N 1 0 233.337 -1.028 20 0 BAADRO CCNS(=O)(=O)NC[C@H]1C[NH2+]CCN1C ZINC000394404040 344972582 /nfs/dbraw/zinc/97/25/82/344972582.db2.gz KPUUIBSEGPETES-MRVPVSSYSA-N 1 0 236.341 -1.666 20 0 BAADRO CCNS(=O)(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000394404042 344972428 /nfs/dbraw/zinc/97/24/28/344972428.db2.gz KPUUIBSEGPETES-QMMMGPOBSA-N 1 0 236.341 -1.666 20 0 BAADRO C[C@@H]([NH2+]C1CC1)C(=O)NCCNS(C)(=O)=O ZINC000394875314 357385615 /nfs/dbraw/zinc/38/56/15/357385615.db2.gz CNBAJFNLQKGVRS-SSDOTTSWSA-N 1 0 249.336 -1.208 20 0 BAADRO C[C@H]([NH2+]C1CC1)C(=O)NCCNS(C)(=O)=O ZINC000394875316 357385571 /nfs/dbraw/zinc/38/55/71/357385571.db2.gz CNBAJFNLQKGVRS-ZETCQYMHSA-N 1 0 249.336 -1.208 20 0 BAADRO Cn1nncc1CN1CCN(C)C[C@H]1C[NH3+] ZINC000394921401 357399414 /nfs/dbraw/zinc/39/94/14/357399414.db2.gz NPSNHEFXEJVJEB-SECBINFHSA-N 1 0 224.312 -1.110 20 0 BAADRO Cn1nncc1CN1CCN(C)C[C@@H]1C[NH3+] ZINC000394921403 357399393 /nfs/dbraw/zinc/39/93/93/357399393.db2.gz NPSNHEFXEJVJEB-VIFPVBQESA-N 1 0 224.312 -1.110 20 0 BAADRO CN(C1CC([NH3+])C1)S(=O)(=O)N1CCOCC1 ZINC000395111084 386929944 /nfs/dbraw/zinc/92/99/44/386929944.db2.gz JIURCMJWKIMGGF-UHFFFAOYSA-N 1 0 249.336 -1.015 20 0 BAADRO O=C(NC[C@H]1COCC[NH2+]1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000395156698 362282359 /nfs/dbraw/zinc/28/23/59/362282359.db2.gz HOVGZMUZRABBCG-AXTSPUMRSA-N 1 0 226.276 -1.017 20 0 BAADRO O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000395156700 362281709 /nfs/dbraw/zinc/28/17/09/362281709.db2.gz HOVGZMUZRABBCG-IMSYWVGJSA-N 1 0 226.276 -1.017 20 0 BAADRO CC[N@H+](C)C[C@@H](O)CN1C[C@@H](O)[C@H](OC)C1 ZINC000395339686 487853749 /nfs/dbraw/zinc/85/37/49/487853749.db2.gz YWZILKQDDUUTFU-GMTAPVOTSA-N 1 0 232.324 -1.010 20 0 BAADRO CC[N@H+](C)C[C@H](O)CN1C[C@@H](O)[C@H](OC)C1 ZINC000395339688 487853699 /nfs/dbraw/zinc/85/36/99/487853699.db2.gz YWZILKQDDUUTFU-HBNTYKKESA-N 1 0 232.324 -1.010 20 0 BAADRO CN(CC(=O)NC(N)=O)C1(C[NH3+])CCC1 ZINC000395421962 357432772 /nfs/dbraw/zinc/43/27/72/357432772.db2.gz ZOQPOFWGJWJBPD-UHFFFAOYSA-N 1 0 214.269 -1.006 20 0 BAADRO CO[C@@H]1C[N@H+](C[C@@H]2CCC(=O)N2)C[C@H]1O ZINC000395461351 410851800 /nfs/dbraw/zinc/85/18/00/410851800.db2.gz XTBKYNQCPQHHBO-DJLDLDEBSA-N 1 0 214.265 -1.044 20 0 BAADRO CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC000395501171 490339159 /nfs/dbraw/zinc/33/91/59/490339159.db2.gz RMCAYNWOZAPITJ-RKDXNWHRSA-N 1 0 205.254 -1.313 20 0 BAADRO C[C@H]1CN(CCN2CC[NH2+]CC2)CC(=O)N1 ZINC000395682279 357445270 /nfs/dbraw/zinc/44/52/70/357445270.db2.gz AKXIVUPHQUQHIM-JTQLQIEISA-N 1 0 226.324 -1.288 20 0 BAADRO C[C@@H]1CN(CCN2CC[NH2+]CC2)CC(=O)N1 ZINC000395682282 357444904 /nfs/dbraw/zinc/44/49/04/357444904.db2.gz AKXIVUPHQUQHIM-SNVBAGLBSA-N 1 0 226.324 -1.288 20 0 BAADRO CCOC(=O)C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000395783305 344562164 /nfs/dbraw/zinc/56/21/64/344562164.db2.gz FKPCDLZKTCJPBZ-IVZWLZJFSA-N 1 0 247.291 -1.008 20 0 BAADRO CCOC(=O)C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000395783306 344562049 /nfs/dbraw/zinc/56/20/49/344562049.db2.gz FKPCDLZKTCJPBZ-OPRDCNLKSA-N 1 0 247.291 -1.008 20 0 BAADRO CC(C)(CC[NH3+])NC(=O)Cn1cnnn1 ZINC000397126613 357505108 /nfs/dbraw/zinc/50/51/08/357505108.db2.gz QZUUXEISTKALAS-UHFFFAOYSA-N 1 0 212.257 -1.083 20 0 BAADRO CON(C)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000397467571 710909156 /nfs/dbraw/zinc/90/91/56/710909156.db2.gz NYTIWGGWRFYQNZ-SSDOTTSWSA-N 1 0 215.253 -1.126 20 0 BAADRO CON(C)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000397467572 710908236 /nfs/dbraw/zinc/90/82/36/710908236.db2.gz NYTIWGGWRFYQNZ-ZETCQYMHSA-N 1 0 215.253 -1.126 20 0 BAADRO CON(C)C(=O)CNC1=[NH+]CCN1C ZINC000397520160 711384468 /nfs/dbraw/zinc/38/44/68/711384468.db2.gz HIFMVFHJSYBBMW-UHFFFAOYSA-N 1 0 200.242 -1.103 20 0 BAADRO CCOC[C@H](O)C[NH2+]CC(=O)N(C)OC ZINC000397520867 711384151 /nfs/dbraw/zinc/38/41/51/711384151.db2.gz HPWYRKDEEJIWEH-MRVPVSSYSA-N 1 0 220.269 -1.007 20 0 BAADRO CCOC[C@@H](O)C[NH2+]CC(=O)N(C)OC ZINC000397520868 711384690 /nfs/dbraw/zinc/38/46/90/711384690.db2.gz HPWYRKDEEJIWEH-QMMMGPOBSA-N 1 0 220.269 -1.007 20 0 BAADRO COC[C@H](O)C[NH2+]CC(=O)N(C)OC ZINC000397522538 711385788 /nfs/dbraw/zinc/38/57/88/711385788.db2.gz GBHWTBQOGPTHNK-SSDOTTSWSA-N 1 0 206.242 -1.397 20 0 BAADRO COC[C@@H](O)C[NH2+]CC(=O)N(C)OC ZINC000397522541 711385161 /nfs/dbraw/zinc/38/51/61/711385161.db2.gz GBHWTBQOGPTHNK-ZETCQYMHSA-N 1 0 206.242 -1.397 20 0 BAADRO CON(C)C(=O)CNC1=[NH+]CCCN1 ZINC000397523518 711385132 /nfs/dbraw/zinc/38/51/32/711385132.db2.gz MHPRMFSUJDBHKP-UHFFFAOYSA-N 1 0 200.242 -1.055 20 0 BAADRO CON(C)C(=O)CNC1=[NH+]C[C@H](C)N1 ZINC000397523530 711382388 /nfs/dbraw/zinc/38/23/88/711382388.db2.gz MIKXPGPJLHVZLC-LURJTMIESA-N 1 0 200.242 -1.057 20 0 BAADRO CON(C)C(=O)CNC1=[NH+]C[C@@H](C)N1 ZINC000397523534 711383153 /nfs/dbraw/zinc/38/31/53/711383153.db2.gz MIKXPGPJLHVZLC-ZCFIWIBFSA-N 1 0 200.242 -1.057 20 0 BAADRO CON(C)C(=O)C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000397534999 711385699 /nfs/dbraw/zinc/38/56/99/711385699.db2.gz OFBAKYGNWBAQHI-SECBINFHSA-N 1 0 242.279 -1.147 20 0 BAADRO CON(C)C(=O)C[NH2+]C[C@H](O)Cn1cccn1 ZINC000397535005 711384857 /nfs/dbraw/zinc/38/48/57/711384857.db2.gz OFBAKYGNWBAQHI-VIFPVBQESA-N 1 0 242.279 -1.147 20 0 BAADRO [NH3+]CC(=O)NCC(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000397758783 388497199 /nfs/dbraw/zinc/49/71/99/388497199.db2.gz JHCGICIOWRKFEN-RNLVFQAGSA-N 1 0 211.265 -1.024 20 0 BAADRO C[NH+](C)C1(CNC(=O)Cn2cnc(N)n2)CC1 ZINC000397921722 411909409 /nfs/dbraw/zinc/90/94/09/411909409.db2.gz HVEBXPCLDOKKSW-UHFFFAOYSA-N 1 0 238.295 -0.929 20 0 BAADRO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)Cn1cnnn1 ZINC000397930986 711396717 /nfs/dbraw/zinc/39/67/17/711396717.db2.gz PVCCXXKOXQZFKW-BQBZGAKWSA-N 1 0 224.268 -1.085 20 0 BAADRO CC1(C)[C@H](NC(=O)Cn2cnnn2)C[C@@H]1[NH3+] ZINC000397930989 711396854 /nfs/dbraw/zinc/39/68/54/711396854.db2.gz PVCCXXKOXQZFKW-NKWVEPMBSA-N 1 0 224.268 -1.085 20 0 BAADRO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)Cn1cnnn1 ZINC000397930991 711396279 /nfs/dbraw/zinc/39/62/79/711396279.db2.gz PVCCXXKOXQZFKW-RNFRBKRXSA-N 1 0 224.268 -1.085 20 0 BAADRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)Cn1cnnn1 ZINC000397930994 711396117 /nfs/dbraw/zinc/39/61/17/711396117.db2.gz PVCCXXKOXQZFKW-RQJHMYQMSA-N 1 0 224.268 -1.085 20 0 BAADRO Cc1nc(C(=O)NC2(CCO)C[NH2+]C2)no1 ZINC000397984463 711397905 /nfs/dbraw/zinc/39/79/05/711397905.db2.gz GJLVAVXMQBYJCB-UHFFFAOYSA-N 1 0 226.236 -1.168 20 0 BAADRO O=C(NC1(CCO)C[NH2+]C1)c1cnns1 ZINC000398041018 711708481 /nfs/dbraw/zinc/70/84/81/711708481.db2.gz LCWOBIPJZBHINI-UHFFFAOYSA-N 1 0 228.277 -1.008 20 0 BAADRO CCNS(=O)(=O)CCNC(=O)CC1([NH3+])CC1 ZINC000398051094 711400680 /nfs/dbraw/zinc/40/06/80/711400680.db2.gz WIMXNMCRPHAKTF-UHFFFAOYSA-N 1 0 249.336 -1.077 20 0 BAADRO CS(=O)(=O)NCCCNC(=O)CC1([NH3+])CC1 ZINC000398053266 488197787 /nfs/dbraw/zinc/19/77/87/488197787.db2.gz XHFARWBDMOXQGT-UHFFFAOYSA-N 1 0 249.336 -1.077 20 0 BAADRO Cn1nnc(CNC2=[NH+]CCCN2C)n1 ZINC000398066607 711708476 /nfs/dbraw/zinc/70/84/76/711708476.db2.gz FFDNHZNAEDSGGJ-UHFFFAOYSA-N 1 0 209.257 -1.009 20 0 BAADRO Cn1nnc(CNC[C@@H](O)C[NH+]2CCCC2)n1 ZINC000398076356 343063036 /nfs/dbraw/zinc/06/30/36/343063036.db2.gz ISIHSFQGXZHDQI-SECBINFHSA-N 1 0 240.311 -1.244 20 0 BAADRO Cn1nnc(CNC[C@H](O)C[NH+]2CCCC2)n1 ZINC000398076358 362999690 /nfs/dbraw/zinc/99/96/90/362999690.db2.gz ISIHSFQGXZHDQI-VIFPVBQESA-N 1 0 240.311 -1.244 20 0 BAADRO Cn1nnc(CNC[C@@H](O)C[N@H+](C)C2CC2)n1 ZINC000398099433 357836901 /nfs/dbraw/zinc/83/69/01/357836901.db2.gz RSATVJZSSAKSET-SECBINFHSA-N 1 0 240.311 -1.245 20 0 BAADRO Cn1nnc(CNC[C@H](O)C[N@H+](C)C2CC2)n1 ZINC000398099436 357836617 /nfs/dbraw/zinc/83/66/17/357836617.db2.gz RSATVJZSSAKSET-VIFPVBQESA-N 1 0 240.311 -1.245 20 0 BAADRO CCS(=O)(=O)NCCNC(=O)CC1([NH3+])CC1 ZINC000398116540 488211243 /nfs/dbraw/zinc/21/12/43/488211243.db2.gz ZIOLOZWVSHEDOM-UHFFFAOYSA-N 1 0 249.336 -1.077 20 0 BAADRO [NH3+]CC(=O)NCC(=O)NCCOC(F)(F)F ZINC000398162666 363029491 /nfs/dbraw/zinc/02/94/91/363029491.db2.gz CPGBJEFYDGBPOA-UHFFFAOYSA-N 1 0 243.185 -1.286 20 0 BAADRO CC1(OCC(=O)NCc2cn[nH]n2)C[NH2+]C1 ZINC000398343794 410957796 /nfs/dbraw/zinc/95/77/96/410957796.db2.gz IBCGZLJBXPNNAW-UHFFFAOYSA-N 1 0 225.252 -1.201 20 0 BAADRO [NH3+][C@@H](C(=O)NCCn1ncnn1)C1CCC1 ZINC000398983352 411006903 /nfs/dbraw/zinc/00/69/03/411006903.db2.gz GYVLDSFMNYDUML-MRVPVSSYSA-N 1 0 224.268 -1.083 20 0 BAADRO [NH3+][C@H](C(=O)NCCn1ncnn1)C1CCC1 ZINC000398983353 411005249 /nfs/dbraw/zinc/00/52/49/411005249.db2.gz GYVLDSFMNYDUML-QMMMGPOBSA-N 1 0 224.268 -1.083 20 0 BAADRO CC1(C(=O)NCCCS(N)(=O)=O)C[NH2+]C1 ZINC000399143536 357896506 /nfs/dbraw/zinc/89/65/06/357896506.db2.gz CNVHCQDOJJZKMW-UHFFFAOYSA-N 1 0 235.309 -1.609 20 0 BAADRO CC1(C(=O)NCCNS(C)(=O)=O)C[NH2+]C1 ZINC000399162899 357897219 /nfs/dbraw/zinc/89/72/19/357897219.db2.gz LLLYLPDTVXFKQN-UHFFFAOYSA-N 1 0 235.309 -1.739 20 0 BAADRO CC1(C(=O)NC[C@@H]2CCC(=O)N2)C[NH2+]C1 ZINC000399165110 488227534 /nfs/dbraw/zinc/22/75/34/488227534.db2.gz MELMWPCJEJQAKL-ZETCQYMHSA-N 1 0 211.265 -1.009 20 0 BAADRO CC1(C(=O)Nc2cnn(CC(N)=O)c2)C[NH2+]C1 ZINC000399170338 357897964 /nfs/dbraw/zinc/89/79/64/357897964.db2.gz CJMLJLWAERQWJW-UHFFFAOYSA-N 1 0 237.263 -1.084 20 0 BAADRO CS(=O)(=O)NCCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000399175180 357897396 /nfs/dbraw/zinc/89/73/96/357897396.db2.gz JOVCEAJCCSZDJP-MRVPVSSYSA-N 1 0 249.336 -1.221 20 0 BAADRO CS(=O)(=O)NCCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399175183 357897527 /nfs/dbraw/zinc/89/75/27/357897527.db2.gz JOVCEAJCCSZDJP-QMMMGPOBSA-N 1 0 249.336 -1.221 20 0 BAADRO CC1(C(=O)N2CCS(=O)(=O)CC2)C[NH2+]C1 ZINC000399176739 386437588 /nfs/dbraw/zinc/43/75/88/386437588.db2.gz QFLOZPZLTYDHFH-UHFFFAOYSA-N 1 0 232.305 -1.147 20 0 BAADRO CC1(C(=O)NCCS(N)(=O)=O)C[NH2+]C1 ZINC000399181886 355845811 /nfs/dbraw/zinc/84/58/11/355845811.db2.gz SORXOSLUBGWXNC-UHFFFAOYSA-N 1 0 221.282 -1.999 20 0 BAADRO CC1(C(=O)NCC(=O)NC2CC2)C[NH2+]C1 ZINC000399183096 357897937 /nfs/dbraw/zinc/89/79/37/357897937.db2.gz UACYLRUPQZJGJX-UHFFFAOYSA-N 1 0 211.265 -1.009 20 0 BAADRO CC1(C(=O)N[C@@H]2CCS(=O)(=O)C2)C[NH2+]C1 ZINC000399193059 357898939 /nfs/dbraw/zinc/89/89/39/357898939.db2.gz ZMFWUJDJRYADHX-SSDOTTSWSA-N 1 0 232.305 -1.101 20 0 BAADRO CC1(C(=O)N[C@H]2CCS(=O)(=O)C2)C[NH2+]C1 ZINC000399193061 357898471 /nfs/dbraw/zinc/89/84/71/357898471.db2.gz ZMFWUJDJRYADHX-ZETCQYMHSA-N 1 0 232.305 -1.101 20 0 BAADRO COCCNC(=O)CNC(=O)C1(C)C[NH2+]C1 ZINC000399194253 357898857 /nfs/dbraw/zinc/89/88/57/357898857.db2.gz KQLMJAKYUHSSRX-UHFFFAOYSA-N 1 0 229.280 -1.525 20 0 BAADRO NS(=O)(=O)CCCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000399198507 357898781 /nfs/dbraw/zinc/89/87/81/357898781.db2.gz SOAKCLUXRMMAGX-MRVPVSSYSA-N 1 0 249.336 -1.091 20 0 BAADRO NS(=O)(=O)CCCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399198510 357898852 /nfs/dbraw/zinc/89/88/52/357898852.db2.gz SOAKCLUXRMMAGX-QMMMGPOBSA-N 1 0 249.336 -1.091 20 0 BAADRO CN(C)C(=O)NCCNC(=O)C1(C)C[NH2+]C1 ZINC000399227589 411027232 /nfs/dbraw/zinc/02/72/32/411027232.db2.gz YRGOYNLRRLXHPY-UHFFFAOYSA-N 1 0 228.296 -1.017 20 0 BAADRO COCCNC(=O)CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399245570 357899782 /nfs/dbraw/zinc/89/97/82/357899782.db2.gz JZIUSOONNCDHCR-JTQLQIEISA-N 1 0 243.307 -1.007 20 0 BAADRO COCCNC(=O)CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000399245571 357899396 /nfs/dbraw/zinc/89/93/96/357899396.db2.gz JZIUSOONNCDHCR-SNVBAGLBSA-N 1 0 243.307 -1.007 20 0 BAADRO CCS(=O)(=O)NCCNC(=O)C1(C)C[NH2+]C1 ZINC000399314554 357902168 /nfs/dbraw/zinc/90/21/68/357902168.db2.gz SKPSAVYYYSAUTQ-UHFFFAOYSA-N 1 0 249.336 -1.349 20 0 BAADRO Cn1nnnc1CNC(=O)C1(C)C[NH2+]C1 ZINC000399400205 357906753 /nfs/dbraw/zinc/90/67/53/357906753.db2.gz GNOWPLVGHGWUKN-UHFFFAOYSA-N 1 0 210.241 -1.564 20 0 BAADRO CC1(C(=O)NCCn2ncnn2)C[NH2+]C1 ZINC000399464286 342679624 /nfs/dbraw/zinc/67/96/24/342679624.db2.gz KOASFYLKBHKRTF-UHFFFAOYSA-N 1 0 210.241 -1.601 20 0 BAADRO CC1(C(=O)NCC(=O)N2CCOCC2)C[NH2+]C1 ZINC000399473695 342727507 /nfs/dbraw/zinc/72/75/07/342727507.db2.gz NKLFWHLRZMIZNZ-UHFFFAOYSA-N 1 0 241.291 -1.429 20 0 BAADRO CC1(C(=O)NCCCNS(C)(=O)=O)C[NH2+]C1 ZINC000399480952 411044625 /nfs/dbraw/zinc/04/46/25/411044625.db2.gz QBPJYRQPOPZWCW-UHFFFAOYSA-N 1 0 249.336 -1.349 20 0 BAADRO COC[C@H](C)S(=O)(=O)NC1C[NH2+]C1 ZINC000399562511 342737841 /nfs/dbraw/zinc/73/78/41/342737841.db2.gz BHWGKYMPGRDEQS-LURJTMIESA-N 1 0 208.283 -1.088 20 0 BAADRO COC[C@@H](C)S(=O)(=O)NC1C[NH2+]C1 ZINC000399562512 342737898 /nfs/dbraw/zinc/73/78/98/342737898.db2.gz BHWGKYMPGRDEQS-ZCFIWIBFSA-N 1 0 208.283 -1.088 20 0 BAADRO CCOC(=O)C[C@@H](O)CN1CCOC[C@H](O)C1 ZINC000399939467 357127932 /nfs/dbraw/zinc/12/79/32/357127932.db2.gz VCQVJTDQWKFTKB-NXEZZACHSA-N 1 0 247.291 -1.006 20 0 BAADRO CCOC(=O)C[C@H](O)CN1CCOC[C@@H](O)C1 ZINC000399939468 357127612 /nfs/dbraw/zinc/12/76/12/357127612.db2.gz VCQVJTDQWKFTKB-UWVGGRQHSA-N 1 0 247.291 -1.006 20 0 BAADRO CCOC(=O)C[C@H](O)CN1CCOC[C@H](O)C1 ZINC000399939469 357127972 /nfs/dbraw/zinc/12/79/72/357127972.db2.gz VCQVJTDQWKFTKB-VHSXEESVSA-N 1 0 247.291 -1.006 20 0 BAADRO CCOC(=O)C[C@@H](O)CN1CCOC[C@@H](O)C1 ZINC000399939470 357127807 /nfs/dbraw/zinc/12/78/07/357127807.db2.gz VCQVJTDQWKFTKB-ZJUUUORDSA-N 1 0 247.291 -1.006 20 0 BAADRO CC[N@H+](C)C[C@@H](O)CN1CCOC[C@H](O)C1 ZINC000399957794 344742860 /nfs/dbraw/zinc/74/28/60/344742860.db2.gz CLYDPJSQEWEZFL-GHMZBOCLSA-N 1 0 232.324 -1.008 20 0 BAADRO CC[N@H+](C)C[C@@H](O)CN1CCOC[C@@H](O)C1 ZINC000399957796 344743040 /nfs/dbraw/zinc/74/30/40/344743040.db2.gz CLYDPJSQEWEZFL-MNOVXSKESA-N 1 0 232.324 -1.008 20 0 BAADRO CC[N@H+](C)C[C@H](O)CN1CCOC[C@@H](O)C1 ZINC000399957797 344743010 /nfs/dbraw/zinc/74/30/10/344743010.db2.gz CLYDPJSQEWEZFL-QWRGUYRKSA-N 1 0 232.324 -1.008 20 0 BAADRO CC[N@H+](C)C[C@H](O)CN1CCOC[C@H](O)C1 ZINC000399957798 344742888 /nfs/dbraw/zinc/74/28/88/344742888.db2.gz CLYDPJSQEWEZFL-WDEREUQCSA-N 1 0 232.324 -1.008 20 0 BAADRO OCCOCC[N@@H+]1CCOC[C@H](O)C1 ZINC000399991636 487547152 /nfs/dbraw/zinc/54/71/52/487547152.db2.gz UQPWSPVANKOIQS-SECBINFHSA-N 1 0 205.254 -1.312 20 0 BAADRO OCCOCC[N@@H+]1CCOC[C@@H](O)C1 ZINC000399991639 487499799 /nfs/dbraw/zinc/49/97/99/487499799.db2.gz UQPWSPVANKOIQS-VIFPVBQESA-N 1 0 205.254 -1.312 20 0 BAADRO CC(C)([NH3+])C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000400133093 369343488 /nfs/dbraw/zinc/34/34/88/369343488.db2.gz BXHQGKBMLSVAKO-SSDOTTSWSA-N 1 0 249.336 -1.126 20 0 BAADRO CC(C)([NH3+])C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000400133094 369343698 /nfs/dbraw/zinc/34/36/98/369343698.db2.gz BXHQGKBMLSVAKO-ZETCQYMHSA-N 1 0 249.336 -1.126 20 0 BAADRO C[NH2+][C@@H](C)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000400182894 369344759 /nfs/dbraw/zinc/34/47/59/369344759.db2.gz SCVPMYDVOVAZHZ-JGVFFNPUSA-N 1 0 249.336 -1.256 20 0 BAADRO C[NH2+][C@@H](C)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000400182896 369344576 /nfs/dbraw/zinc/34/45/76/369344576.db2.gz SCVPMYDVOVAZHZ-YUMQZZPRSA-N 1 0 249.336 -1.256 20 0 BAADRO CS(=O)(=O)N1CCC[C@@H](NC(=O)CC[NH3+])C1 ZINC000400193365 533386628 /nfs/dbraw/zinc/38/66/28/533386628.db2.gz WJUGRZYRXBUXQT-MRVPVSSYSA-N 1 0 249.336 -1.125 20 0 BAADRO CS(=O)(=O)N1CCC[C@H](NC(=O)CC[NH3+])C1 ZINC000400193367 533390854 /nfs/dbraw/zinc/39/08/54/533390854.db2.gz WJUGRZYRXBUXQT-QMMMGPOBSA-N 1 0 249.336 -1.125 20 0 BAADRO CC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000400196153 369344454 /nfs/dbraw/zinc/34/44/54/369344454.db2.gz ZTWVSPNGAASDPI-HTQZYQBOSA-N 1 0 249.336 -1.126 20 0 BAADRO CC[C@@H]([NH3+])C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000400196154 369344972 /nfs/dbraw/zinc/34/49/72/369344972.db2.gz ZTWVSPNGAASDPI-JGVFFNPUSA-N 1 0 249.336 -1.126 20 0 BAADRO CC[C@H]([NH3+])C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000400196156 369344285 /nfs/dbraw/zinc/34/42/85/369344285.db2.gz ZTWVSPNGAASDPI-SFYZADRCSA-N 1 0 249.336 -1.126 20 0 BAADRO CC[C@H]([NH3+])C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000400196157 369344706 /nfs/dbraw/zinc/34/47/06/369344706.db2.gz ZTWVSPNGAASDPI-YUMQZZPRSA-N 1 0 249.336 -1.126 20 0 BAADRO CS(=O)(=O)N1CC[C@H](N[C@@H]2CC[NH2+]C2)C1 ZINC000400246074 344444975 /nfs/dbraw/zinc/44/49/75/344444975.db2.gz KBDOXJWDUCTGOI-BDAKNGLRSA-N 1 0 233.337 -1.028 20 0 BAADRO CS(=O)(=O)N1CC[C@@H](N[C@H]2CC[NH2+]C2)C1 ZINC000400246076 344444775 /nfs/dbraw/zinc/44/47/75/344444775.db2.gz KBDOXJWDUCTGOI-DTWKUNHWSA-N 1 0 233.337 -1.028 20 0 BAADRO CS(=O)(=O)N1CC[C@H](N[C@H]2CC[NH2+]C2)C1 ZINC000400246078 344444859 /nfs/dbraw/zinc/44/48/59/344444859.db2.gz KBDOXJWDUCTGOI-IUCAKERBSA-N 1 0 233.337 -1.028 20 0 BAADRO CS(=O)(=O)N1CC[C@@H](N[C@@H]2CC[NH2+]C2)C1 ZINC000400246079 344444826 /nfs/dbraw/zinc/44/48/26/344444826.db2.gz KBDOXJWDUCTGOI-RKDXNWHRSA-N 1 0 233.337 -1.028 20 0 BAADRO CO[C@]1(CO)CCCN(CC(N)=O)C1 ZINC000401761465 488065326 /nfs/dbraw/zinc/06/53/26/488065326.db2.gz CKEGTYKJBRVXJH-SECBINFHSA-N 1 0 202.254 -1.055 20 0 BAADRO CO[C@@]1(CO)CCCN(CC(N)=O)C1 ZINC000401761468 488064858 /nfs/dbraw/zinc/06/48/58/488064858.db2.gz CKEGTYKJBRVXJH-VIFPVBQESA-N 1 0 202.254 -1.055 20 0 BAADRO [NH3+]C[C@H](NC(=O)Cn1cnnn1)C(F)(F)F ZINC000401764644 488065454 /nfs/dbraw/zinc/06/54/54/488065454.db2.gz XQLZYUSYKRQRMR-BYPYZUCNSA-N 1 0 238.173 -1.321 20 0 BAADRO [NH3+]C[C@@H](NC(=O)Cn1cnnn1)C(F)(F)F ZINC000401764651 488064838 /nfs/dbraw/zinc/06/48/38/488064838.db2.gz XQLZYUSYKRQRMR-SCSAIBSYSA-N 1 0 238.173 -1.321 20 0 BAADRO C[C@H]1C[C@H](NC(=O)C(=O)NCC[NH3+])CO1 ZINC000401932772 348778264 /nfs/dbraw/zinc/77/82/64/348778264.db2.gz MWCFTSKNAVSFMU-BQBZGAKWSA-N 1 0 215.253 -1.645 20 0 BAADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCC[NH3+])CO1 ZINC000401932774 348778245 /nfs/dbraw/zinc/77/82/45/348778245.db2.gz MWCFTSKNAVSFMU-NKWVEPMBSA-N 1 0 215.253 -1.645 20 0 BAADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[NH3+])CO1 ZINC000401932775 348777984 /nfs/dbraw/zinc/77/79/84/348777984.db2.gz MWCFTSKNAVSFMU-RNFRBKRXSA-N 1 0 215.253 -1.645 20 0 BAADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCC[NH3+])CO1 ZINC000401932776 348778118 /nfs/dbraw/zinc/77/81/18/348778118.db2.gz MWCFTSKNAVSFMU-RQJHMYQMSA-N 1 0 215.253 -1.645 20 0 BAADRO COC(C)(C)CN(C)C(=O)CNC(=O)C[NH3+] ZINC000404379214 369428149 /nfs/dbraw/zinc/42/81/49/369428149.db2.gz RLHZWGMFZUEHSQ-UHFFFAOYSA-N 1 0 231.296 -1.055 20 0 BAADRO CN(C)CC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405215183 487476770 /nfs/dbraw/zinc/47/67/70/487476770.db2.gz JREATVAUHRWCIQ-VHSXEESVSA-N 1 0 227.308 -1.175 20 0 BAADRO CCNS(=O)(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405227897 487476826 /nfs/dbraw/zinc/47/68/26/487476826.db2.gz PMINJCHHMNLUFB-DTWKUNHWSA-N 1 0 249.336 -1.409 20 0 BAADRO CCNC(=O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405228147 411420686 /nfs/dbraw/zinc/42/06/86/411420686.db2.gz FDPBEDSWJWTURB-VHSXEESVSA-N 1 0 227.308 -1.127 20 0 BAADRO CCO[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C[NH3+] ZINC000405233090 369449038 /nfs/dbraw/zinc/44/90/38/369449038.db2.gz XCLQUFZEHZLIEN-HTQZYQBOSA-N 1 0 244.295 -1.523 20 0 BAADRO CNC(=O)CCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405249930 411421469 /nfs/dbraw/zinc/42/14/69/411421469.db2.gz HQPQBSBQUQPQJJ-VHSXEESVSA-N 1 0 227.308 -1.127 20 0 BAADRO COC[C@H](O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405267741 411422421 /nfs/dbraw/zinc/42/24/21/411422421.db2.gz SDIMAJDNCSNOBI-HBNTYKKESA-N 1 0 230.308 -1.256 20 0 BAADRO OCCOCCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405278901 411422823 /nfs/dbraw/zinc/42/28/23/411422823.db2.gz YKCUPGTWAXDZSV-WDEREUQCSA-N 1 0 230.308 -1.254 20 0 BAADRO CN(C)C(=O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405285777 411423310 /nfs/dbraw/zinc/42/33/10/411423310.db2.gz VTSUHSXBBANYPL-VHSXEESVSA-N 1 0 227.308 -1.175 20 0 BAADRO NS(=O)(=O)CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000405292089 411424316 /nfs/dbraw/zinc/42/43/16/411424316.db2.gz IEMRAXYDKBELAZ-JGVFFNPUSA-N 1 0 249.336 -1.091 20 0 BAADRO CC1(C(=O)NCCN2C(=O)CCC2=O)C[NH2+]C1 ZINC000405324179 323177562 /nfs/dbraw/zinc/17/75/62/323177562.db2.gz AGXFUGVHLCFEQZ-UHFFFAOYSA-N 1 0 239.275 -1.139 20 0 BAADRO NS(=O)(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405357484 487482110 /nfs/dbraw/zinc/48/21/10/487482110.db2.gz RTWXIUWWGWQVNC-NKWVEPMBSA-N 1 0 221.282 -2.059 20 0 BAADRO COCC[NH2+]CC(=O)NCCN1CCCC1=O ZINC000405376331 353615701 /nfs/dbraw/zinc/61/57/01/353615701.db2.gz GTTPTCGRIVIRCN-UHFFFAOYSA-N 1 0 243.307 -1.039 20 0 BAADRO C[C@H](C(N)=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405401963 411427019 /nfs/dbraw/zinc/42/70/19/411427019.db2.gz KIERJDAGAQLBFF-HRDYMLBCSA-N 1 0 213.281 -1.389 20 0 BAADRO COCC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405404517 487484911 /nfs/dbraw/zinc/48/49/11/487484911.db2.gz RFJXGKPKNRKMDL-DTWKUNHWSA-N 1 0 214.265 -1.090 20 0 BAADRO O=C(NCCN1CCCC1=O)[C@H]1C[NH2+]CCO1 ZINC000405407233 411427296 /nfs/dbraw/zinc/42/72/96/411427296.db2.gz JXWAEZHZEZYWEO-SECBINFHSA-N 1 0 241.291 -1.287 20 0 BAADRO O=C(NCCN1CCCC1=O)[C@@H]1C[NH2+]CCO1 ZINC000405407237 411427524 /nfs/dbraw/zinc/42/75/24/411427524.db2.gz JXWAEZHZEZYWEO-VIFPVBQESA-N 1 0 241.291 -1.287 20 0 BAADRO C[NH2+][C@@H](C)C(=O)NCCN1CCCS1(=O)=O ZINC000405435076 369459372 /nfs/dbraw/zinc/45/93/72/369459372.db2.gz DROIMOSBDFCEKE-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO CNC(=O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405435588 411428550 /nfs/dbraw/zinc/42/85/50/411428550.db2.gz UAMQAFZRLHIWKA-DTWKUNHWSA-N 1 0 213.281 -1.517 20 0 BAADRO CC[C@@H]([NH3+])C(=O)NCCN1C(=O)CCC1=O ZINC000405440216 369461334 /nfs/dbraw/zinc/46/13/34/369461334.db2.gz IJJMSDSSIIGKGQ-SSDOTTSWSA-N 1 0 227.264 -1.011 20 0 BAADRO CC[C@H]([NH3+])C(=O)NCCN1C(=O)CCC1=O ZINC000405440217 388469880 /nfs/dbraw/zinc/46/98/80/388469880.db2.gz IJJMSDSSIIGKGQ-ZETCQYMHSA-N 1 0 227.264 -1.011 20 0 BAADRO C[NH2+]CC(=O)NCCN1C(=O)CCCC1=O ZINC000405441034 388471377 /nfs/dbraw/zinc/47/13/77/388471377.db2.gz JDQCFCHORAWUFB-UHFFFAOYSA-N 1 0 227.264 -1.139 20 0 BAADRO CC(C)([NH3+])C(=O)NCCN1CCCS1(=O)=O ZINC000405445981 388470988 /nfs/dbraw/zinc/47/09/88/388470988.db2.gz MKBVNDAXRMSBLT-UHFFFAOYSA-N 1 0 249.336 -1.125 20 0 BAADRO Cn1nnnc1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405449941 487485012 /nfs/dbraw/zinc/48/50/12/487485012.db2.gz GHSKXBZALYRBMA-JGVFFNPUSA-N 1 0 224.268 -1.535 20 0 BAADRO [NH3+]CCCC(=O)NCCN1CCCS1(=O)=O ZINC000405456076 534597788 /nfs/dbraw/zinc/59/77/88/534597788.db2.gz SRSHONTZIBEJSB-UHFFFAOYSA-N 1 0 249.336 -1.123 20 0 BAADRO [NH3+]CCC(=O)NCCN1C(=O)CCCC1=O ZINC000405459521 229482663 /nfs/dbraw/zinc/48/26/63/229482663.db2.gz VYLSPWLCYBEXRI-UHFFFAOYSA-N 1 0 227.264 -1.010 20 0 BAADRO CC[C@@H]([NH3+])C(=O)NCCN1CCCS1(=O)=O ZINC000405460942 323325879 /nfs/dbraw/zinc/32/58/79/323325879.db2.gz WXULCKPLZQUPAJ-MRVPVSSYSA-N 1 0 249.336 -1.125 20 0 BAADRO CC[C@H]([NH3+])C(=O)NCCN1CCCS1(=O)=O ZINC000405460945 388474048 /nfs/dbraw/zinc/47/40/48/388474048.db2.gz WXULCKPLZQUPAJ-QMMMGPOBSA-N 1 0 249.336 -1.125 20 0 BAADRO CCO[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1C[NH3+] ZINC000405511189 411433346 /nfs/dbraw/zinc/43/33/46/411433346.db2.gz FTRQZSKNABBQIL-NXEZZACHSA-N 1 0 243.307 -1.055 20 0 BAADRO CCO[C@@H]1CN(CC(N)=O)C[C@H]1C[NH3+] ZINC000405577336 411435983 /nfs/dbraw/zinc/43/59/83/411435983.db2.gz JDSANFZVINOKAT-HTQZYQBOSA-N 1 0 201.270 -1.233 20 0 BAADRO O=C(CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCC1 ZINC000405638083 411437861 /nfs/dbraw/zinc/43/78/61/411437861.db2.gz BVTXIUHIYATCSP-WDEREUQCSA-N 1 0 239.319 -1.031 20 0 BAADRO CN1CC[C@H](N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1=O ZINC000405645554 411188679 /nfs/dbraw/zinc/18/86/79/411188679.db2.gz DTUMPVJVCTVOKR-AXFHLTTASA-N 1 0 239.319 -1.032 20 0 BAADRO CS(=O)(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405665444 487489166 /nfs/dbraw/zinc/48/91/66/487489166.db2.gz JAXSWFGKMGXRJM-JGVFFNPUSA-N 1 0 220.294 -1.303 20 0 BAADRO CN(C)S(=O)(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405719774 487491216 /nfs/dbraw/zinc/49/12/16/487491216.db2.gz UBQWVDMQEUJPEZ-DTWKUNHWSA-N 1 0 249.336 -1.456 20 0 BAADRO CCO[C@@H]1CN(S(N)(=O)=O)C[C@H]1C[NH3+] ZINC000405746089 355168851 /nfs/dbraw/zinc/16/88/51/355168851.db2.gz BTNORIMOJMHEKG-RNFRBKRXSA-N 1 0 223.298 -1.515 20 0 BAADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCO ZINC000407947453 385078389 /nfs/dbraw/zinc/07/83/89/385078389.db2.gz OXVOVWJCOQDYPR-MRVPVSSYSA-N 1 0 222.310 -1.008 20 0 BAADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCO ZINC000407947458 385078778 /nfs/dbraw/zinc/07/87/78/385078778.db2.gz OXVOVWJCOQDYPR-QMMMGPOBSA-N 1 0 222.310 -1.008 20 0 BAADRO COCC[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000407947492 383899061 /nfs/dbraw/zinc/89/90/61/383899061.db2.gz WRVXNFQYNFKMCW-SSDOTTSWSA-N 1 0 208.283 -1.004 20 0 BAADRO COCC[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000407947498 385076987 /nfs/dbraw/zinc/07/69/87/385076987.db2.gz WRVXNFQYNFKMCW-ZETCQYMHSA-N 1 0 208.283 -1.004 20 0 BAADRO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CCO ZINC000407947518 385073917 /nfs/dbraw/zinc/07/39/17/385073917.db2.gz XLYLREKDTWFPJK-SSDOTTSWSA-N 1 0 208.283 -1.268 20 0 BAADRO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCO ZINC000407947519 385072481 /nfs/dbraw/zinc/07/24/81/385072481.db2.gz XLYLREKDTWFPJK-ZETCQYMHSA-N 1 0 208.283 -1.268 20 0 BAADRO CC(C)(O)C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000407948774 385094904 /nfs/dbraw/zinc/09/49/04/385094904.db2.gz KMQNVMOBHJCBRI-SSDOTTSWSA-N 1 0 227.264 -1.007 20 0 BAADRO CC(C)(O)C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000407948776 385095016 /nfs/dbraw/zinc/09/50/16/385095016.db2.gz KMQNVMOBHJCBRI-ZETCQYMHSA-N 1 0 227.264 -1.007 20 0 BAADRO NC(=O)NCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000407956940 385134410 /nfs/dbraw/zinc/13/44/10/385134410.db2.gz XPIVZRBRLWQSCR-MRVPVSSYSA-N 1 0 226.280 -1.039 20 0 BAADRO NC(=O)NCC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000407956942 385133887 /nfs/dbraw/zinc/13/38/87/385133887.db2.gz XPIVZRBRLWQSCR-QMMMGPOBSA-N 1 0 226.280 -1.039 20 0 BAADRO C[C@@H](O)CN1CC[N@H+](C[C@@H](C)O)CC(O)C1 ZINC000407957250 385134804 /nfs/dbraw/zinc/13/48/04/385134804.db2.gz MTIHSVVJIJHCRQ-NXEZZACHSA-N 1 0 232.324 -1.274 20 0 BAADRO C[C@H](O)CN1CC[N@H+](C[C@H](C)O)CC(O)C1 ZINC000407957251 385132467 /nfs/dbraw/zinc/13/24/67/385132467.db2.gz MTIHSVVJIJHCRQ-UWVGGRQHSA-N 1 0 232.324 -1.274 20 0 BAADRO C[C@@H]1COCCN1CC[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000407959267 490678714 /nfs/dbraw/zinc/67/87/14/490678714.db2.gz UERIPJPXEXGCNQ-MXWKQRLJSA-N 1 0 230.308 -1.256 20 0 BAADRO C[C@@H]1COCCN1CC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000407959268 490678449 /nfs/dbraw/zinc/67/84/49/490678449.db2.gz UERIPJPXEXGCNQ-VWYCJHECSA-N 1 0 230.308 -1.256 20 0 BAADRO C[C@H]1CN(CC[N@H+]2C[C@@H](O)[C@@H](O)C2)CCO1 ZINC000407968310 385211348 /nfs/dbraw/zinc/21/13/48/385211348.db2.gz SNQXZMFNWGSRAS-GARJFASQSA-N 1 0 230.308 -1.256 20 0 BAADRO C[C@@H]1CN(CC[NH+]2C[C@@H](O)[C@H](O)C2)CCO1 ZINC000407968312 385210340 /nfs/dbraw/zinc/21/03/40/385210340.db2.gz SNQXZMFNWGSRAS-GMTAPVOTSA-N 1 0 230.308 -1.256 20 0 BAADRO C[C@@H]1CN(CC[N@H+]2C[C@@H](O)[C@@H](O)C2)CCO1 ZINC000407968313 385209671 /nfs/dbraw/zinc/20/96/71/385209671.db2.gz SNQXZMFNWGSRAS-MXWKQRLJSA-N 1 0 230.308 -1.256 20 0 BAADRO C[C@@H]1CN(CC[NH+]2C[C@H](O)[C@@H](O)C2)CCO1 ZINC000407968315 385209358 /nfs/dbraw/zinc/20/93/58/385209358.db2.gz SNQXZMFNWGSRAS-VWYCJHECSA-N 1 0 230.308 -1.256 20 0 BAADRO CN1CCO[C@@H](C(=O)NC[C@@](C)(O)CO)C1 ZINC000407986671 385298304 /nfs/dbraw/zinc/29/83/04/385298304.db2.gz MRBRGKUXQQRMHZ-PSASIEDQSA-N 1 0 232.280 -1.824 20 0 BAADRO CN1CCO[C@@H](C(=O)NC[C@](C)(O)CO)C1 ZINC000407986672 398128615 /nfs/dbraw/zinc/12/86/15/398128615.db2.gz MRBRGKUXQQRMHZ-SCZZXKLOSA-N 1 0 232.280 -1.824 20 0 BAADRO CN1CCO[C@H](C(=O)NC[C@@](C)(O)CO)C1 ZINC000407986673 385299576 /nfs/dbraw/zinc/29/95/76/385299576.db2.gz MRBRGKUXQQRMHZ-WCBMZHEXSA-N 1 0 232.280 -1.824 20 0 BAADRO CN1CCO[C@H](C(=O)NC[C@](C)(O)CO)C1 ZINC000407986674 385298860 /nfs/dbraw/zinc/29/88/60/385298860.db2.gz MRBRGKUXQQRMHZ-WPRPVWTQSA-N 1 0 232.280 -1.824 20 0 BAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@](C)(O)CO ZINC000407988907 383864926 /nfs/dbraw/zinc/86/49/26/383864926.db2.gz VXUJJUPTPNVVTC-PSASIEDQSA-N 1 0 216.281 -1.060 20 0 BAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@](C)(O)CO ZINC000407988910 383866982 /nfs/dbraw/zinc/86/69/82/383866982.db2.gz VXUJJUPTPNVVTC-SCZZXKLOSA-N 1 0 216.281 -1.060 20 0 BAADRO C[N@@H+]1CCC[C@H]1C(=O)NC[C@@](C)(O)CO ZINC000407988912 385306774 /nfs/dbraw/zinc/30/67/74/385306774.db2.gz VXUJJUPTPNVVTC-WCBMZHEXSA-N 1 0 216.281 -1.060 20 0 BAADRO C[N@@H+]1CCC[C@H]1C(=O)NC[C@](C)(O)CO ZINC000407988913 385307420 /nfs/dbraw/zinc/30/74/20/385307420.db2.gz VXUJJUPTPNVVTC-WPRPVWTQSA-N 1 0 216.281 -1.060 20 0 BAADRO CN(CCN1CCOCC1)C(=O)CO ZINC000407996307 385340602 /nfs/dbraw/zinc/34/06/02/385340602.db2.gz QVSYJTKGYFCZDQ-UHFFFAOYSA-N 1 0 202.254 -1.231 20 0 BAADRO C[C@H](O)CN1CCN(C(=O)CO)C[C@H]1C ZINC000407998630 385347389 /nfs/dbraw/zinc/34/73/89/385347389.db2.gz RJBNLVJMFRGGMQ-BDAKNGLRSA-N 1 0 216.281 -1.108 20 0 BAADRO C[C@@H](O)CN1CCN(C(=O)CO)C[C@@H]1C ZINC000407998631 385346616 /nfs/dbraw/zinc/34/66/16/385346616.db2.gz RJBNLVJMFRGGMQ-DTWKUNHWSA-N 1 0 216.281 -1.108 20 0 BAADRO C[C@H](O)CN1CCN(C(=O)CO)C[C@@H]1C ZINC000407998634 385347139 /nfs/dbraw/zinc/34/71/39/385347139.db2.gz RJBNLVJMFRGGMQ-IUCAKERBSA-N 1 0 216.281 -1.108 20 0 BAADRO C[C@@H](O)CN1CCN(C(=O)CO)C[C@H]1C ZINC000407998635 385345802 /nfs/dbraw/zinc/34/58/02/385345802.db2.gz RJBNLVJMFRGGMQ-RKDXNWHRSA-N 1 0 216.281 -1.108 20 0 BAADRO O=C(CO)N1CC[C@@H](N2CCOCC2)C1 ZINC000407999508 385350601 /nfs/dbraw/zinc/35/06/01/385350601.db2.gz WRHUBXLUOQSTOO-SECBINFHSA-N 1 0 214.265 -1.088 20 0 BAADRO O=C(CO)N1CC[C@H](N2CCOCC2)C1 ZINC000407999512 385350829 /nfs/dbraw/zinc/35/08/29/385350829.db2.gz WRHUBXLUOQSTOO-VIFPVBQESA-N 1 0 214.265 -1.088 20 0 BAADRO CC(C)NC(=O)CN1CC[C@@H](S(N)(=O)=O)C1 ZINC000408006340 385371326 /nfs/dbraw/zinc/37/13/26/385371326.db2.gz XZBRQMMUXFVZBP-MRVPVSSYSA-N 1 0 249.336 -1.126 20 0 BAADRO CC(C)NC(=O)CN1CC[C@H](S(N)(=O)=O)C1 ZINC000408006343 385370483 /nfs/dbraw/zinc/37/04/83/385370483.db2.gz XZBRQMMUXFVZBP-QMMMGPOBSA-N 1 0 249.336 -1.126 20 0 BAADRO NC(=O)CCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000408026664 385428414 /nfs/dbraw/zinc/42/84/14/385428414.db2.gz GCOSVKIBPKTNIN-SECBINFHSA-N 1 0 240.307 -1.632 20 0 BAADRO NC(=O)CCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000408026665 385428469 /nfs/dbraw/zinc/42/84/69/385428469.db2.gz GCOSVKIBPKTNIN-VIFPVBQESA-N 1 0 240.307 -1.632 20 0 BAADRO CNC(=O)CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000408030196 385447062 /nfs/dbraw/zinc/44/70/62/385447062.db2.gz XXDIDCKLYMLJGS-SECBINFHSA-N 1 0 240.307 -1.762 20 0 BAADRO CNC(=O)CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000408030199 385448210 /nfs/dbraw/zinc/44/82/10/385448210.db2.gz XXDIDCKLYMLJGS-VIFPVBQESA-N 1 0 240.307 -1.762 20 0 BAADRO CO[C@H]1C[C@@H](C(=O)NCC(=O)N(C)C)N(C)C1 ZINC000408031382 385486765 /nfs/dbraw/zinc/48/67/65/385486765.db2.gz TWPGJEGOANZIEI-IUCAKERBSA-N 1 0 243.307 -1.090 20 0 BAADRO CO[C@H]1C[C@@H](C(=O)N2CC(O)C2)[N@H+](C)C1 ZINC000408041347 384685597 /nfs/dbraw/zinc/68/55/97/384685597.db2.gz GMLYDGYSHPNUHN-IUCAKERBSA-N 1 0 214.265 -1.091 20 0 BAADRO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000408047512 385175529 /nfs/dbraw/zinc/17/55/29/385175529.db2.gz HBTKCEHFNMCXFW-DSYKOEDSSA-N 1 0 242.279 -1.377 20 0 BAADRO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000408047517 385175442 /nfs/dbraw/zinc/17/54/42/385175442.db2.gz HBTKCEHFNMCXFW-FSDSQADBSA-N 1 0 242.279 -1.377 20 0 BAADRO NC(=O)NC(=O)CN1C[C@@H](F)C[C@H]1CO ZINC000408047613 384428575 /nfs/dbraw/zinc/42/85/75/384428575.db2.gz REJCDRDMMAAALB-WDSKDSINSA-N 1 0 219.216 -1.414 20 0 BAADRO CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000408049064 385185477 /nfs/dbraw/zinc/18/54/77/385185477.db2.gz UXENTZCKPSSMPF-RNFRBKRXSA-N 1 0 242.279 -1.505 20 0 BAADRO C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1C(N)=O ZINC000408049108 385185877 /nfs/dbraw/zinc/18/58/77/385185877.db2.gz VNPYVPCGIUOPOU-HTQZYQBOSA-N 1 0 249.336 -1.411 20 0 BAADRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)NC(N)=O ZINC000408058797 385370448 /nfs/dbraw/zinc/37/04/48/385370448.db2.gz DTZXYSCPSQMLNV-BQBZGAKWSA-N 1 0 242.279 -1.233 20 0 BAADRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)NC(N)=O ZINC000408058798 385371339 /nfs/dbraw/zinc/37/13/39/385371339.db2.gz DTZXYSCPSQMLNV-NKWVEPMBSA-N 1 0 242.279 -1.233 20 0 BAADRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)NC(N)=O ZINC000408058799 384554691 /nfs/dbraw/zinc/55/46/91/384554691.db2.gz DTZXYSCPSQMLNV-RNFRBKRXSA-N 1 0 242.279 -1.233 20 0 BAADRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)NC(N)=O ZINC000408058800 385370527 /nfs/dbraw/zinc/37/05/27/385370527.db2.gz DTZXYSCPSQMLNV-RQJHMYQMSA-N 1 0 242.279 -1.233 20 0 BAADRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)CO)[C@@H]2C1 ZINC000408063035 385514546 /nfs/dbraw/zinc/51/45/46/385514546.db2.gz IGYJXEZPDQCCNN-BDAKNGLRSA-N 1 0 214.265 -1.090 20 0 BAADRO C[N@@H+]1CC[C@H]2OCCN(C(=O)CO)[C@H]2C1 ZINC000408063039 385513536 /nfs/dbraw/zinc/51/35/36/385513536.db2.gz IGYJXEZPDQCCNN-DTWKUNHWSA-N 1 0 214.265 -1.090 20 0 BAADRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)CO)[C@H]2C1 ZINC000408063040 385514489 /nfs/dbraw/zinc/51/44/89/385514489.db2.gz IGYJXEZPDQCCNN-IUCAKERBSA-N 1 0 214.265 -1.090 20 0 BAADRO C[N@@H+]1CC[C@H]2OCCN(C(=O)CO)[C@@H]2C1 ZINC000408063041 385513494 /nfs/dbraw/zinc/51/34/94/385513494.db2.gz IGYJXEZPDQCCNN-RKDXNWHRSA-N 1 0 214.265 -1.090 20 0 BAADRO COC[C@@H](O)C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000408070058 134385638 /nfs/dbraw/zinc/38/56/38/134385638.db2.gz DZGWISXXBVBZQN-DJLDLDEBSA-N 1 0 205.254 -1.315 20 0 BAADRO C[N@H+](CCNS(C)(=O)=O)C1(CO)CC1 ZINC000408072825 385702153 /nfs/dbraw/zinc/70/21/53/385702153.db2.gz OBXFRWCQRLNQFW-UHFFFAOYSA-N 1 0 222.310 -1.008 20 0 BAADRO CNS(=O)(=O)NC1CC[NH+](CCO)CC1 ZINC000408075398 536297455 /nfs/dbraw/zinc/29/74/55/536297455.db2.gz YZKCQFBDNJKPHG-UHFFFAOYSA-N 1 0 237.325 -1.503 20 0 BAADRO CNC(=O)NC(=O)CC[N@H+](C)[C@@H]1COC[C@H]1O ZINC000408075602 136210168 /nfs/dbraw/zinc/21/01/68/136210168.db2.gz YYZHONDRAUDKAE-HTQZYQBOSA-N 1 0 245.279 -1.476 20 0 BAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCCNS(C)(=O)=O ZINC000408092400 134391179 /nfs/dbraw/zinc/39/11/79/134391179.db2.gz XWGSCEZWGNJEEQ-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO C[N@@H+]1CCC[C@H]1C(=O)NCCNS(C)(=O)=O ZINC000408092403 134390896 /nfs/dbraw/zinc/39/08/96/134390896.db2.gz XWGSCEZWGNJEEQ-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO NC(=O)NCC(=O)N1CCN(C2CC2)CC1 ZINC000408111174 134394904 /nfs/dbraw/zinc/39/49/04/134394904.db2.gz BBNBKLFFLXQYHU-UHFFFAOYSA-N 1 0 226.280 -1.039 20 0 BAADRO CN1C(=O)C[C@@H]([N@@H+]2CCC[C@@H](C(N)=O)C2)C1=O ZINC000408113104 134396869 /nfs/dbraw/zinc/39/68/69/134396869.db2.gz SRQSZXSIJXKTLI-HTQZYQBOSA-N 1 0 239.275 -1.059 20 0 BAADRO CN1C(=O)C[C@@H]([N@@H+]2CCC[C@H](C(N)=O)C2)C1=O ZINC000408113105 134396371 /nfs/dbraw/zinc/39/63/71/134396371.db2.gz SRQSZXSIJXKTLI-JGVFFNPUSA-N 1 0 239.275 -1.059 20 0 BAADRO CN1C(=O)C[C@H]([N@@H+]2CCC[C@@H](C(N)=O)C2)C1=O ZINC000408113106 536317638 /nfs/dbraw/zinc/31/76/38/536317638.db2.gz SRQSZXSIJXKTLI-SFYZADRCSA-N 1 0 239.275 -1.059 20 0 BAADRO CN1C(=O)C[C@H]([N@@H+]2CCC[C@H](C(N)=O)C2)C1=O ZINC000408113107 536317870 /nfs/dbraw/zinc/31/78/70/536317870.db2.gz SRQSZXSIJXKTLI-YUMQZZPRSA-N 1 0 239.275 -1.059 20 0 BAADRO NC(=O)NCC(=O)N1CC[NH+]2CCC1CC2 ZINC000408117416 344154584 /nfs/dbraw/zinc/15/45/84/344154584.db2.gz BOBOFCLOYKZZSH-UHFFFAOYSA-N 1 0 226.280 -1.039 20 0 BAADRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)CO ZINC000408123485 134398012 /nfs/dbraw/zinc/39/80/12/134398012.db2.gz HFEZFOGSCUWJRQ-RKDXNWHRSA-N 1 0 216.281 -1.108 20 0 BAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000408148625 385565405 /nfs/dbraw/zinc/56/54/05/385565405.db2.gz CUYRYRZXAPEYKJ-DTWKUNHWSA-N 1 0 241.291 -1.207 20 0 BAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000408148626 385565383 /nfs/dbraw/zinc/56/53/83/385565383.db2.gz CUYRYRZXAPEYKJ-RKDXNWHRSA-N 1 0 241.291 -1.207 20 0 BAADRO CNC(=O)NC(=O)CN(C)[C@]1(CO)CCOC1 ZINC000408175155 385610372 /nfs/dbraw/zinc/61/03/72/385610372.db2.gz WYKPHRGWDIOBMP-JTQLQIEISA-N 1 0 245.279 -1.475 20 0 BAADRO CNC(=O)NC(=O)CN(C)[C@@]1(CO)CCOC1 ZINC000408175156 385611866 /nfs/dbraw/zinc/61/18/66/385611866.db2.gz WYKPHRGWDIOBMP-SNVBAGLBSA-N 1 0 245.279 -1.475 20 0 BAADRO CC(=O)[C@](C)(O)CN1CCNC(=O)C1 ZINC000408198944 385618345 /nfs/dbraw/zinc/61/83/45/385618345.db2.gz PKLWYRPKVNETRR-SECBINFHSA-N 1 0 200.238 -1.242 20 0 BAADRO CC(=O)[C@@](C)(O)CN1CCNC(=O)C1 ZINC000408198945 385618311 /nfs/dbraw/zinc/61/83/11/385618311.db2.gz PKLWYRPKVNETRR-VIFPVBQESA-N 1 0 200.238 -1.242 20 0 BAADRO CC(=O)[C@](C)(O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000408199771 398033334 /nfs/dbraw/zinc/03/33/34/398033334.db2.gz WNAZXYJTYYBVFG-HRDYMLBCSA-N 1 0 203.238 -1.636 20 0 BAADRO CC(=O)[C@](C)(O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000408199772 398033881 /nfs/dbraw/zinc/03/38/81/398033881.db2.gz WNAZXYJTYYBVFG-IWSPIJDZSA-N 1 0 203.238 -1.636 20 0 BAADRO CC(=O)[C@](C)(O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000408199773 398033983 /nfs/dbraw/zinc/03/39/83/398033983.db2.gz WNAZXYJTYYBVFG-XHNCKOQMSA-N 1 0 203.238 -1.636 20 0 BAADRO CC(=O)[C@@](C)(O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000408199774 398033945 /nfs/dbraw/zinc/03/39/45/398033945.db2.gz WNAZXYJTYYBVFG-YIZRAAEISA-N 1 0 203.238 -1.636 20 0 BAADRO C[C@H](C(N)=O)N1CCN2CCOC[C@@H]2C1 ZINC000408206486 136212310 /nfs/dbraw/zinc/21/23/10/136212310.db2.gz UFWDVXZXRALUBL-BDAKNGLRSA-N 1 0 213.281 -1.123 20 0 BAADRO C[C@@H](C(N)=O)N1CCN2CCOC[C@H]2C1 ZINC000408206491 136212376 /nfs/dbraw/zinc/21/23/76/136212376.db2.gz UFWDVXZXRALUBL-DTWKUNHWSA-N 1 0 213.281 -1.123 20 0 BAADRO C[C@@H](C(N)=O)N1CCN2CCOC[C@@H]2C1 ZINC000408206493 136212316 /nfs/dbraw/zinc/21/23/16/136212316.db2.gz UFWDVXZXRALUBL-IUCAKERBSA-N 1 0 213.281 -1.123 20 0 BAADRO C[C@H](C(N)=O)N1CCN2CCOC[C@H]2C1 ZINC000408206495 136212340 /nfs/dbraw/zinc/21/23/40/136212340.db2.gz UFWDVXZXRALUBL-RKDXNWHRSA-N 1 0 213.281 -1.123 20 0 BAADRO C[N@H+](CCN1C(=O)CNC1=O)C1CC(O)C1 ZINC000408213811 344249612 /nfs/dbraw/zinc/24/96/12/344249612.db2.gz DVAVHZCQMQCNOT-UHFFFAOYSA-N 1 0 227.264 -1.007 20 0 BAADRO C[N@H+](CCNS(C)(=O)=O)C1CC(O)C1 ZINC000408215628 344604648 /nfs/dbraw/zinc/60/46/48/344604648.db2.gz QYUGTOPJXRIOKU-UHFFFAOYSA-N 1 0 222.310 -1.009 20 0 BAADRO CN(C[C@H](O)CO)C(=O)[C@@H]1CN(C)CCO1 ZINC000408216948 344252627 /nfs/dbraw/zinc/25/26/27/344252627.db2.gz KNRMSBHREIPNRM-IUCAKERBSA-N 1 0 232.280 -1.871 20 0 BAADRO CN(C[C@H](O)CO)C(=O)[C@H]1CCC[N@@H+]1C ZINC000408218383 344253534 /nfs/dbraw/zinc/25/35/34/344253534.db2.gz RCGDSGMEGACYEO-DTWKUNHWSA-N 1 0 216.281 -1.108 20 0 BAADRO CN(C[C@H](O)CO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000408218384 344253477 /nfs/dbraw/zinc/25/34/77/344253477.db2.gz RCGDSGMEGACYEO-IUCAKERBSA-N 1 0 216.281 -1.108 20 0 BAADRO CN1CCO[C@H](C(=O)NCC(C)(C)C(N)=O)C1 ZINC000408238859 344852677 /nfs/dbraw/zinc/85/26/77/344852677.db2.gz YOWXXOLYRANVGI-QMMMGPOBSA-N 1 0 243.307 -1.055 20 0 BAADRO COC(=O)[C@H](C)NC(=O)[C@H]1CN(C)CCO1 ZINC000408264687 344976724 /nfs/dbraw/zinc/97/67/24/344976724.db2.gz LTGVAJNNOINUJA-JGVFFNPUSA-N 1 0 230.264 -1.005 20 0 BAADRO COC(=O)[C@H](C)NC(=O)[C@@H]1CN(C)CCO1 ZINC000408264688 344976095 /nfs/dbraw/zinc/97/60/95/344976095.db2.gz LTGVAJNNOINUJA-YUMQZZPRSA-N 1 0 230.264 -1.005 20 0 BAADRO CC(C)(O)C[NH+]1CCN(C(=O)CC(N)=O)CC1 ZINC000408268459 344402696 /nfs/dbraw/zinc/40/26/96/344402696.db2.gz ABGSVUDHCMWMGK-UHFFFAOYSA-N 1 0 243.307 -1.223 20 0 BAADRO CN(C)C(=O)CC(=O)NC[C@@H]1CN(C)CCO1 ZINC000408269322 344992736 /nfs/dbraw/zinc/99/27/36/344992736.db2.gz JBABWFCFPHJADR-SECBINFHSA-N 1 0 243.307 -1.089 20 0 BAADRO CN(C)C(=O)CC(=O)NC[C@H]1CN(C)CCO1 ZINC000408269323 344992903 /nfs/dbraw/zinc/99/29/03/344992903.db2.gz JBABWFCFPHJADR-VIFPVBQESA-N 1 0 243.307 -1.089 20 0 BAADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CC(N)=O)C[C@@H]1C ZINC000408274585 344423062 /nfs/dbraw/zinc/42/30/62/344423062.db2.gz LXSWJUIXPIVILT-DTWKUNHWSA-N 1 0 243.307 -1.225 20 0 BAADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CC(N)=O)C[C@@H]1C ZINC000408274586 345014046 /nfs/dbraw/zinc/01/40/46/345014046.db2.gz LXSWJUIXPIVILT-IUCAKERBSA-N 1 0 243.307 -1.225 20 0 BAADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CC(N)=O)C[C@H]1C ZINC000408274587 345014055 /nfs/dbraw/zinc/01/40/55/345014055.db2.gz LXSWJUIXPIVILT-RKDXNWHRSA-N 1 0 243.307 -1.225 20 0 BAADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CC(N)=O)[C@H](C)C1 ZINC000408319296 345143209 /nfs/dbraw/zinc/14/32/09/345143209.db2.gz LMDDUQSJJKQJCV-BDAKNGLRSA-N 1 0 243.307 -1.225 20 0 BAADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CC(N)=O)[C@@H](C)C1 ZINC000408319297 345143366 /nfs/dbraw/zinc/14/33/66/345143366.db2.gz LMDDUQSJJKQJCV-DTWKUNHWSA-N 1 0 243.307 -1.225 20 0 BAADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CC(N)=O)[C@@H](C)C1 ZINC000408319298 345143385 /nfs/dbraw/zinc/14/33/85/345143385.db2.gz LMDDUQSJJKQJCV-IUCAKERBSA-N 1 0 243.307 -1.225 20 0 BAADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CC(N)=O)[C@H](C)C1 ZINC000408319299 345143486 /nfs/dbraw/zinc/14/34/86/345143486.db2.gz LMDDUQSJJKQJCV-RKDXNWHRSA-N 1 0 243.307 -1.225 20 0 BAADRO CNC(=O)CC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000408321289 344502248 /nfs/dbraw/zinc/50/22/48/344502248.db2.gz QLIXTVAFQUSDQU-VIFPVBQESA-N 1 0 243.307 -1.089 20 0 BAADRO CNC(=O)CC(=O)N1CCN(CCO)[C@H](C)C1 ZINC000408323147 345155856 /nfs/dbraw/zinc/15/58/56/345155856.db2.gz XYLHEIHTZYSSDC-SECBINFHSA-N 1 0 243.307 -1.353 20 0 BAADRO CNC(=O)CC(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000408323149 345156156 /nfs/dbraw/zinc/15/61/56/345156156.db2.gz XYLHEIHTZYSSDC-VIFPVBQESA-N 1 0 243.307 -1.353 20 0 BAADRO C[C@H](O)C[NH+]1CCN(Cc2nnnn2C)CC1 ZINC000408366718 386401258 /nfs/dbraw/zinc/40/12/58/386401258.db2.gz OGIRENTVGQQBHK-VIFPVBQESA-N 1 0 240.311 -1.292 20 0 BAADRO C[C@@H]1CN(Cc2nnnn2C)CC[N@@H+]1CCO ZINC000408369524 398134603 /nfs/dbraw/zinc/13/46/03/398134603.db2.gz YGDAKNOBRSNTSF-SECBINFHSA-N 1 0 240.311 -1.292 20 0 BAADRO C[C@H]1CN(Cc2nnnn2C)CC[N@@H+]1CCO ZINC000408369525 398134023 /nfs/dbraw/zinc/13/40/23/398134023.db2.gz YGDAKNOBRSNTSF-VIFPVBQESA-N 1 0 240.311 -1.292 20 0 BAADRO CNC(=O)NCC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000408377215 385761328 /nfs/dbraw/zinc/76/13/28/385761328.db2.gz ZMCGSJZGCUDDPI-DTORHVGOSA-N 1 0 240.307 -1.065 20 0 BAADRO COC(=O)CN1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000408380040 398144141 /nfs/dbraw/zinc/14/41/41/398144141.db2.gz SGNFJIBMMSJJOW-JTQLQIEISA-N 1 0 241.247 -1.167 20 0 BAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000408402371 133483861 /nfs/dbraw/zinc/48/38/61/133483861.db2.gz IAVMEJFXOBFHJD-MRVPVSSYSA-N 1 0 249.336 -1.302 20 0 BAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000408402372 384185330 /nfs/dbraw/zinc/18/53/30/384185330.db2.gz IAVMEJFXOBFHJD-QMMMGPOBSA-N 1 0 249.336 -1.302 20 0 BAADRO CNS(=O)(=O)CC(=O)N1CCC[N@H+](C)CC1 ZINC000408405113 386331565 /nfs/dbraw/zinc/33/15/65/386331565.db2.gz QDOMLWIPIZUFDZ-UHFFFAOYSA-N 1 0 249.336 -1.300 20 0 BAADRO C[NH+](C)CC(=O)N1CCN2C(=O)N=NC2C1 ZINC000408412134 385164850 /nfs/dbraw/zinc/16/48/50/385164850.db2.gz NVFAQCDWQFHRIB-UHFFFAOYSA-N 1 0 225.252 -1.113 20 0 BAADRO O=C(CO)NCC[N@@H+]1CCCOCC1 ZINC000408417119 411382375 /nfs/dbraw/zinc/38/23/75/411382375.db2.gz PUQCGQJQQNFBKU-UHFFFAOYSA-N 1 0 202.254 -1.183 20 0 BAADRO O[C@@H]1C[NH+](CCCN2CCOCC2)C[C@H]1O ZINC000408440514 386634318 /nfs/dbraw/zinc/63/43/18/386634318.db2.gz CPRHDYJGTZIEQL-GHMZBOCLSA-N 1 0 230.308 -1.254 20 0 BAADRO O[C@@H]1C[N@@H+](CCCN2CCOCC2)C[C@@H]1O ZINC000408440515 386633216 /nfs/dbraw/zinc/63/32/16/386633216.db2.gz CPRHDYJGTZIEQL-PHIMTYICSA-N 1 0 230.308 -1.254 20 0 BAADRO O[C@H]1C[NH+](CCCN2CCOCC2)C[C@@H]1O ZINC000408440516 386633919 /nfs/dbraw/zinc/63/39/19/386633919.db2.gz CPRHDYJGTZIEQL-QWRGUYRKSA-N 1 0 230.308 -1.254 20 0 BAADRO C[C@@H](CN1CCOCC1)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000408442312 398179379 /nfs/dbraw/zinc/17/93/79/398179379.db2.gz LBQGTCMVKFAABI-GARJFASQSA-N 1 0 230.308 -1.256 20 0 BAADRO C[C@H](CN1CCOCC1)[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000408442317 398179287 /nfs/dbraw/zinc/17/92/87/398179287.db2.gz LBQGTCMVKFAABI-GMTAPVOTSA-N 1 0 230.308 -1.256 20 0 BAADRO C[C@H](CN1CCOCC1)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000408442318 133493361 /nfs/dbraw/zinc/49/33/61/133493361.db2.gz LBQGTCMVKFAABI-MXWKQRLJSA-N 1 0 230.308 -1.256 20 0 BAADRO C[C@H](CN1CCOCC1)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000408442320 398179212 /nfs/dbraw/zinc/17/92/12/398179212.db2.gz LBQGTCMVKFAABI-VWYCJHECSA-N 1 0 230.308 -1.256 20 0 BAADRO C[C@@H](O)C[NH+]1CCN(Cc2nnnn2C)CC1 ZINC000408443037 386769405 /nfs/dbraw/zinc/76/94/05/386769405.db2.gz OGIRENTVGQQBHK-SECBINFHSA-N 1 0 240.311 -1.292 20 0 BAADRO O=C(CC[N@@H+]1C[C@@H](O)[C@@H](O)C1)N1CCOCC1 ZINC000408443067 386768969 /nfs/dbraw/zinc/76/89/69/386768969.db2.gz OUZCKDPYSHKTMQ-AOOOYVTPSA-N 1 0 244.291 -1.727 20 0 BAADRO O=C(CC[NH+]1C[C@@H](O)[C@H](O)C1)N1CCOCC1 ZINC000408443070 386768749 /nfs/dbraw/zinc/76/87/49/386768749.db2.gz OUZCKDPYSHKTMQ-NXEZZACHSA-N 1 0 244.291 -1.727 20 0 BAADRO O=C(CC[NH+]1C[C@H](O)[C@@H](O)C1)N1CCOCC1 ZINC000408443071 386768659 /nfs/dbraw/zinc/76/86/59/386768659.db2.gz OUZCKDPYSHKTMQ-UWVGGRQHSA-N 1 0 244.291 -1.727 20 0 BAADRO CCN(C)C(=O)CC[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000408444187 386783910 /nfs/dbraw/zinc/78/39/10/386783910.db2.gz SOOZUUXMCVSVJY-DTORHVGOSA-N 1 0 216.281 -1.108 20 0 BAADRO CCN(C)C(=O)CC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000408444188 386781484 /nfs/dbraw/zinc/78/14/84/386781484.db2.gz SOOZUUXMCVSVJY-IUCAKERBSA-N 1 0 216.281 -1.108 20 0 BAADRO CCN(C)C(=O)CC[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000408444189 386782544 /nfs/dbraw/zinc/78/25/44/386782544.db2.gz SOOZUUXMCVSVJY-RKDXNWHRSA-N 1 0 216.281 -1.108 20 0 BAADRO C[NH+](C)C1CN(C(=O)[C@]2(O)CCOC2)C1 ZINC000413652108 385849694 /nfs/dbraw/zinc/84/96/94/385849694.db2.gz BOMOQHZJOHFWJZ-JTQLQIEISA-N 1 0 214.265 -1.090 20 0 BAADRO C[NH+](C)C1CN(C(=O)[C@@]2(O)CCOC2)C1 ZINC000413652121 385849568 /nfs/dbraw/zinc/84/95/68/385849568.db2.gz BOMOQHZJOHFWJZ-SNVBAGLBSA-N 1 0 214.265 -1.090 20 0 BAADRO CN1C[C@H](NC(=O)N2CC[NH2+]CC2)CC1=O ZINC000417828178 386788352 /nfs/dbraw/zinc/78/83/52/386788352.db2.gz GUFZMEAZOHBJMV-MRVPVSSYSA-N 1 0 226.280 -1.168 20 0 BAADRO CN1C[C@@H](NC(=O)N2CC[NH2+]CC2)CC1=O ZINC000417828179 386787811 /nfs/dbraw/zinc/78/78/11/386787811.db2.gz GUFZMEAZOHBJMV-QMMMGPOBSA-N 1 0 226.280 -1.168 20 0 BAADRO CCOCCNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419143851 192101456 /nfs/dbraw/zinc/10/14/56/192101456.db2.gz IYJPBSAIVPLOQU-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO CCOCCNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419143875 192101464 /nfs/dbraw/zinc/10/14/64/192101464.db2.gz IYJPBSAIVPLOQU-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO CCOCCNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419153423 192101948 /nfs/dbraw/zinc/10/19/48/192101948.db2.gz VYFZXSMWKSZKIQ-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO CCOCCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419153424 192101553 /nfs/dbraw/zinc/10/15/53/192101553.db2.gz VYFZXSMWKSZKIQ-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO COC[C@@H](C)NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419254835 192115447 /nfs/dbraw/zinc/11/54/47/192115447.db2.gz FURDUEABVUWUHY-BDAKNGLRSA-N 1 0 243.307 -1.042 20 0 BAADRO COC[C@@H](C)NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419254838 192115999 /nfs/dbraw/zinc/11/59/99/192115999.db2.gz FURDUEABVUWUHY-RKDXNWHRSA-N 1 0 243.307 -1.042 20 0 BAADRO COC[C@@H](C)NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419255008 192115764 /nfs/dbraw/zinc/11/57/64/192115764.db2.gz GCUCHZDDIQZFFW-DTWKUNHWSA-N 1 0 243.307 -1.042 20 0 BAADRO COC[C@@H](C)NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419255009 192116276 /nfs/dbraw/zinc/11/62/76/192116276.db2.gz GCUCHZDDIQZFFW-RKDXNWHRSA-N 1 0 243.307 -1.042 20 0 BAADRO COCCCNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419719516 192144554 /nfs/dbraw/zinc/14/45/54/192144554.db2.gz GNDWAOGTEDOITF-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO COCCCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419719517 192144294 /nfs/dbraw/zinc/14/42/94/192144294.db2.gz GNDWAOGTEDOITF-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO COCCCNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419724946 192144195 /nfs/dbraw/zinc/14/41/95/192144195.db2.gz QWDXMTOJIJFJHB-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO COCCCNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419724947 192143904 /nfs/dbraw/zinc/14/39/04/192143904.db2.gz QWDXMTOJIJFJHB-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO CC(C)[C@H]1CN(C(=O)C(=O)NCC[NH3+])CCO1 ZINC000419816792 192146295 /nfs/dbraw/zinc/14/62/95/192146295.db2.gz LMRILEPFWVPVEQ-SECBINFHSA-N 1 0 243.307 -1.055 20 0 BAADRO CC(C)[C@@H]1CN(C(=O)C(=O)NCC[NH3+])CCO1 ZINC000419816805 192146075 /nfs/dbraw/zinc/14/60/75/192146075.db2.gz LMRILEPFWVPVEQ-VIFPVBQESA-N 1 0 243.307 -1.055 20 0 BAADRO CCN1CCN(C(=O)C(=O)NCC[NH2+]C)CC1 ZINC000419882569 192147996 /nfs/dbraw/zinc/14/79/96/192147996.db2.gz XZHGDHOVEKMERX-UHFFFAOYSA-N 1 0 242.323 -1.514 20 0 BAADRO CCN1CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC1 ZINC000419988368 192155715 /nfs/dbraw/zinc/15/57/15/192155715.db2.gz FMWYURBXMKERTH-SECBINFHSA-N 1 0 242.323 -1.386 20 0 BAADRO CCN1CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000420010526 192153930 /nfs/dbraw/zinc/15/39/30/192153930.db2.gz FMWYURBXMKERTH-VIFPVBQESA-N 1 0 242.323 -1.386 20 0 BAADRO Nc1nc(=NCCC[NH3+])nc2[nH][nH]cc1-2 ZINC000420140952 411976196 /nfs/dbraw/zinc/97/61/96/411976196.db2.gz HMLQBKAHUQPGPB-UHFFFAOYSA-N 1 0 207.241 -0.931 20 0 BAADRO Nc1nc(N[C@@H]2CC[NH2+]C2)nc2[nH]ncc21 ZINC000420156102 411925225 /nfs/dbraw/zinc/92/52/25/411925225.db2.gz VBXZTCVXCHITSO-RXMQYKEDSA-N 1 0 219.252 -0.918 20 0 BAADRO Nc1nc(=N[C@H]2CC[NH2+]C2)nc2[nH][nH]cc1-2 ZINC000420156104 411928262 /nfs/dbraw/zinc/92/82/62/411928262.db2.gz VBXZTCVXCHITSO-YFKPBYRVSA-N 1 0 219.252 -0.918 20 0 BAADRO COC(=O)CN(C)C(=O)CCN(C)C1C[NH2+]C1 ZINC000420311180 192211085 /nfs/dbraw/zinc/21/10/85/192211085.db2.gz HANXXXXESFFNBK-UHFFFAOYSA-N 1 0 243.307 -1.089 20 0 BAADRO CN(C)c1nc(C(=O)NCC[NH3+])cc(=O)[nH]1 ZINC000422693289 387613019 /nfs/dbraw/zinc/61/30/19/387613019.db2.gz LTVPKPFXQBJAQN-UHFFFAOYSA-N 1 0 225.252 -1.063 20 0 BAADRO CNc1nc(C)cc(C(=O)NCC[NH3+])n1 ZINC000422695521 412315606 /nfs/dbraw/zinc/31/56/06/412315606.db2.gz PWVZPXMARPRBBJ-UHFFFAOYSA-N 1 0 209.253 -0.485 20 0 BAADRO C[C@@H]1CN(C(=O)C(=O)N2CCOCC2)CC[NH2+]1 ZINC000422977343 387789963 /nfs/dbraw/zinc/78/99/63/387789963.db2.gz JSHMNALNKOXLFU-SECBINFHSA-N 1 0 241.291 -1.335 20 0 BAADRO C[C@H]1CN(C(=O)C(=O)N2CCOCC2)CC[NH2+]1 ZINC000422977344 387788560 /nfs/dbraw/zinc/78/85/60/387788560.db2.gz JSHMNALNKOXLFU-VIFPVBQESA-N 1 0 241.291 -1.335 20 0 BAADRO CCN1CCN(C(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000422979993 387791333 /nfs/dbraw/zinc/79/13/33/387791333.db2.gz OFPYYIDOGWOGNG-UHFFFAOYSA-N 1 0 242.323 -1.432 20 0 BAADRO COCCN(C)C(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000423062273 387868189 /nfs/dbraw/zinc/86/81/89/387868189.db2.gz STWXQGRNDKHWJT-SECBINFHSA-N 1 0 243.307 -1.089 20 0 BAADRO COCCN(C)C(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000423062274 387866848 /nfs/dbraw/zinc/86/68/48/387866848.db2.gz STWXQGRNDKHWJT-VIFPVBQESA-N 1 0 243.307 -1.089 20 0 BAADRO CN(C(=O)C(=O)N1CC[NH2+]CC1)C1CC(O)C1 ZINC000423531543 387357431 /nfs/dbraw/zinc/35/74/31/387357431.db2.gz STTCHLSSCYJOKT-UHFFFAOYSA-N 1 0 241.291 -1.600 20 0 BAADRO COC(=O)[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423538887 192808304 /nfs/dbraw/zinc/80/83/04/192808304.db2.gz OAOMKZPILIBSOR-DJLDLDEBSA-N 1 0 242.275 -1.018 20 0 BAADRO COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423538888 387363839 /nfs/dbraw/zinc/36/38/39/387363839.db2.gz OAOMKZPILIBSOR-HRDYMLBCSA-N 1 0 242.275 -1.018 20 0 BAADRO COC(=O)[C@@H]1C[C@H]1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423538889 192807537 /nfs/dbraw/zinc/80/75/37/192807537.db2.gz OAOMKZPILIBSOR-IWSPIJDZSA-N 1 0 242.275 -1.018 20 0 BAADRO COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423538890 387364641 /nfs/dbraw/zinc/36/46/41/387364641.db2.gz OAOMKZPILIBSOR-XHNCKOQMSA-N 1 0 242.275 -1.018 20 0 BAADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCOCC1 ZINC000423603758 387384870 /nfs/dbraw/zinc/38/48/70/387384870.db2.gz HPNHUBYCXXGPRO-SECBINFHSA-N 1 0 241.291 -1.335 20 0 BAADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCOCC1 ZINC000423603759 387384928 /nfs/dbraw/zinc/38/49/28/387384928.db2.gz HPNHUBYCXXGPRO-VIFPVBQESA-N 1 0 241.291 -1.335 20 0 BAADRO COCCN(C)C(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000423612010 387387405 /nfs/dbraw/zinc/38/74/05/387387405.db2.gz SUKXPKNCSXYXIL-SECBINFHSA-N 1 0 243.307 -1.089 20 0 BAADRO COCCN(C)C(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000423612011 387387576 /nfs/dbraw/zinc/38/75/76/387387576.db2.gz SUKXPKNCSXYXIL-VIFPVBQESA-N 1 0 243.307 -1.089 20 0 BAADRO CCN(CC(=O)OC)C(=O)COC1C[NH2+]C1 ZINC000423749150 387409730 /nfs/dbraw/zinc/40/97/30/387409730.db2.gz VMGPHXZVGNTSTG-UHFFFAOYSA-N 1 0 230.264 -1.004 20 0 BAADRO [NH3+][C@@H]1C[C@@H]1C(=O)NCCNC(=O)C1CC1 ZINC000424063141 387474172 /nfs/dbraw/zinc/47/41/72/387474172.db2.gz HQYGBGZYFBKNJB-JGVFFNPUSA-N 1 0 211.265 -1.024 20 0 BAADRO COCCNC(=O)CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424065563 387476936 /nfs/dbraw/zinc/47/69/36/387476936.db2.gz QPQLKWLAEXWPPX-RQJHMYQMSA-N 1 0 215.253 -1.788 20 0 BAADRO CS(=O)(=O)NCCCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424094777 387494898 /nfs/dbraw/zinc/49/48/98/387494898.db2.gz VISMTTXUNJAGEO-RQJHMYQMSA-N 1 0 235.309 -1.611 20 0 BAADRO COC(=O)Cn1ccc(NC(=O)[C@@H]2C[C@@H]2[NH3+])n1 ZINC000424099967 412333323 /nfs/dbraw/zinc/33/33/23/412333323.db2.gz JUSPWVWDOBMPIT-RQJHMYQMSA-N 1 0 238.247 -0.658 20 0 BAADRO CC(C)NS(=O)(=O)CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424108927 387531575 /nfs/dbraw/zinc/53/15/75/387531575.db2.gz ACUVJWYKBFNIDC-SFYZADRCSA-N 1 0 249.336 -1.222 20 0 BAADRO C[C@@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])C(=O)N1CCOCC1 ZINC000424111195 262834618 /nfs/dbraw/zinc/83/46/18/262834618.db2.gz GOLXWAXCMCWCLK-HLTSFMKQSA-N 1 0 241.291 -1.303 20 0 BAADRO C[C@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])C(=O)N1CCOCC1 ZINC000424111196 387543766 /nfs/dbraw/zinc/54/37/66/387543766.db2.gz GOLXWAXCMCWCLK-YIZRAAEISA-N 1 0 241.291 -1.303 20 0 BAADRO CCS(=O)(=O)NCCCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424114171 387556490 /nfs/dbraw/zinc/55/64/90/387556490.db2.gz QCIXFJWCSCUWFH-SFYZADRCSA-N 1 0 249.336 -1.221 20 0 BAADRO [NH3+][C@@H]1C[C@@H]1C(=O)NCCNC(=O)c1cnccn1 ZINC000424115015 387556606 /nfs/dbraw/zinc/55/66/06/387556606.db2.gz SWVFDESUVQBXRN-JGVFFNPUSA-N 1 0 249.274 -1.330 20 0 BAADRO [NH3+][C@@H]1C[C@@H]1C(=O)NCCCN1C(=O)CCC1=O ZINC000424118581 387560813 /nfs/dbraw/zinc/56/08/13/387560813.db2.gz BVHYMIKBZTWNCP-JGVFFNPUSA-N 1 0 239.275 -1.011 20 0 BAADRO [NH3+][C@@H]1C[C@@H]1C(=O)NCCN1C(=O)CCCC1=O ZINC000424122650 387587924 /nfs/dbraw/zinc/58/79/24/387587924.db2.gz JANRYNGQXACNJO-JGVFFNPUSA-N 1 0 239.275 -1.011 20 0 BAADRO [NH3+][C@@H]1C[C@@H]1C(=O)NCCN1C(=O)CCC1=O ZINC000424124566 387596341 /nfs/dbraw/zinc/59/63/41/387596341.db2.gz MLRXRRIURIBHRF-NKWVEPMBSA-N 1 0 225.248 -1.401 20 0 BAADRO [NH3+][C@@H]1C[C@@H]1C(=O)NCCN1C(=O)CNC1=O ZINC000424125154 206032362 /nfs/dbraw/zinc/03/23/62/206032362.db2.gz NIJXNNNVMSDSJW-NTSWFWBYSA-N 1 0 226.236 -1.998 20 0 BAADRO [NH3+][C@@H]1C[C@@H]1C(=O)NCCNc1cnccn1 ZINC000424134835 412303607 /nfs/dbraw/zinc/30/36/07/412303607.db2.gz NYYJAIOTHDTFDE-JGVFFNPUSA-N 1 0 221.264 -0.648 20 0 BAADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424138562 387672357 /nfs/dbraw/zinc/67/23/57/387672357.db2.gz CMEYWEBRVJKLCW-AEJSXWLSSA-N 1 0 226.324 -1.304 20 0 BAADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424138565 387672700 /nfs/dbraw/zinc/67/27/00/387672700.db2.gz CMEYWEBRVJKLCW-BBBLOLIVSA-N 1 0 226.324 -1.304 20 0 BAADRO CN(Cc1nnnn1C)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424143636 387755792 /nfs/dbraw/zinc/75/57/92/387755792.db2.gz WPJSRLXTOCLCTC-RITPCOANSA-N 1 0 210.241 -1.484 20 0 BAADRO NC(=O)NC(=O)CCNC(=O)[C@H]1C[C@H]1[NH3+] ZINC000424145997 387774884 /nfs/dbraw/zinc/77/48/84/387774884.db2.gz ARQSDBJTZYICPB-CRCLSJGQSA-N 1 0 214.225 -1.965 20 0 BAADRO [NH3+][C@@H]1C[C@@H]1C(=O)NCCCN1C(=O)CNC1=O ZINC000424147603 387780553 /nfs/dbraw/zinc/78/05/53/387780553.db2.gz YJXZBFQNTZJMOF-NKWVEPMBSA-N 1 0 240.263 -1.608 20 0 BAADRO COCCN(CC(=O)OC)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424165402 387851252 /nfs/dbraw/zinc/85/12/52/387851252.db2.gz BJUPPEXNPMBHHS-SFYZADRCSA-N 1 0 230.264 -1.018 20 0 BAADRO C[C@H]1C(=O)NCCCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000424165950 387852096 /nfs/dbraw/zinc/85/20/96/387852096.db2.gz BWKBLZGRAYPVTL-DTWKUNHWSA-N 1 0 241.291 -1.288 20 0 BAADRO C[C@@H]1C(=O)NCCCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000424165957 387852504 /nfs/dbraw/zinc/85/25/04/387852504.db2.gz BWKBLZGRAYPVTL-RKDXNWHRSA-N 1 0 241.291 -1.288 20 0 BAADRO CNC(=O)[C@@H](NC(=O)[C@H]1C[NH2+]CCO1)C(C)C ZINC000424166637 387853468 /nfs/dbraw/zinc/85/34/68/387853468.db2.gz CGVGXVQMENRMMH-BDAKNGLRSA-N 1 0 243.307 -1.138 20 0 BAADRO CNC(=O)[C@H](NC(=O)[C@H]1C[NH2+]CCO1)C(C)C ZINC000424166644 387853183 /nfs/dbraw/zinc/85/31/83/387853183.db2.gz CGVGXVQMENRMMH-RKDXNWHRSA-N 1 0 243.307 -1.138 20 0 BAADRO COC[C@@H](NC(=O)[C@H]1C[NH2+]CCO1)C(=O)OC ZINC000424172648 387869561 /nfs/dbraw/zinc/86/95/61/387869561.db2.gz NOBUAMXFPHVKPU-HTQZYQBOSA-N 1 0 246.263 -1.721 20 0 BAADRO COC[C@H](NC(=O)[C@H]1C[NH2+]CCO1)C(=O)OC ZINC000424172651 387869055 /nfs/dbraw/zinc/86/90/55/387869055.db2.gz NOBUAMXFPHVKPU-JGVFFNPUSA-N 1 0 246.263 -1.721 20 0 BAADRO CNC(=O)CCCN(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000424175381 387878145 /nfs/dbraw/zinc/87/81/45/387878145.db2.gz PZJSONGOQGJERZ-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1COCCN1 ZINC000424175788 387884326 /nfs/dbraw/zinc/88/43/26/387884326.db2.gz OERGVGIZYSQNFJ-BIIVOSGPSA-N 1 0 201.270 -1.173 20 0 BAADRO C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1COCCN1 ZINC000424175789 387884317 /nfs/dbraw/zinc/88/43/17/387884317.db2.gz OERGVGIZYSQNFJ-FXQIFTODSA-N 1 0 201.270 -1.173 20 0 BAADRO C[C@@H](NC(=O)[C@@H]1COCCN1)[C@H](C)[NH3+] ZINC000424175790 387884533 /nfs/dbraw/zinc/88/45/33/387884533.db2.gz OERGVGIZYSQNFJ-RNJXMRFFSA-N 1 0 201.270 -1.173 20 0 BAADRO C[C@@H](NC(=O)[C@H]1COCCN1)[C@H](C)[NH3+] ZINC000424175791 387884043 /nfs/dbraw/zinc/88/40/43/387884043.db2.gz OERGVGIZYSQNFJ-XLPZGREQSA-N 1 0 201.270 -1.173 20 0 BAADRO COC[C@@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])C(=O)OC ZINC000424177429 387887940 /nfs/dbraw/zinc/88/79/40/387887940.db2.gz UHLJYDDAGRMAQZ-DSYKOEDSSA-N 1 0 216.237 -1.362 20 0 BAADRO COC[C@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])C(=O)OC ZINC000424177430 387887708 /nfs/dbraw/zinc/88/77/08/387887708.db2.gz UHLJYDDAGRMAQZ-VQVTYTSYSA-N 1 0 216.237 -1.362 20 0 BAADRO COC(=O)[C@@H](C)N(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000424180433 200878221 /nfs/dbraw/zinc/87/82/21/200878221.db2.gz OIHWRNJSDMUVDM-HTQZYQBOSA-N 1 0 230.264 -1.005 20 0 BAADRO COC(=O)[C@H](C)N(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000424180436 387893587 /nfs/dbraw/zinc/89/35/87/387893587.db2.gz OIHWRNJSDMUVDM-JGVFFNPUSA-N 1 0 230.264 -1.005 20 0 BAADRO CN(C)C(=O)NCCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424181468 387892707 /nfs/dbraw/zinc/89/27/07/387892707.db2.gz RJHNCONCCFUHOW-RQJHMYQMSA-N 1 0 214.269 -1.279 20 0 BAADRO C[C@H]1OCCN[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000424182179 387898290 /nfs/dbraw/zinc/89/82/90/387898290.db2.gz YUWJDNKFPKVVAF-ZJDVBMNYSA-N 1 0 225.292 -1.303 20 0 BAADRO COC(=O)C1(NC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000424184902 387899484 /nfs/dbraw/zinc/89/94/84/387899484.db2.gz YKQNATHLAJPIQG-SSDOTTSWSA-N 1 0 228.248 -1.203 20 0 BAADRO CCN(CC(=O)OC)C(=O)[C@H]1C[NH2+]CCO1 ZINC000424186251 387904392 /nfs/dbraw/zinc/90/43/92/387904392.db2.gz GPHUPKPJNURXLG-MRVPVSSYSA-N 1 0 230.264 -1.004 20 0 BAADRO [NH3+][C@@H]1C[C@@H]1C(=O)NCC(=O)NCC1CC1 ZINC000424187493 387903641 /nfs/dbraw/zinc/90/36/41/387903641.db2.gz JCDKZJHXKKVCEH-JGVFFNPUSA-N 1 0 211.265 -1.024 20 0 BAADRO CCOC(=O)CN(CC(N)=O)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424190170 200883747 /nfs/dbraw/zinc/88/37/47/200883747.db2.gz LYUDIFRRVUCTBR-RQJHMYQMSA-N 1 0 243.263 -1.789 20 0 BAADRO C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)C[C@H]1C(N)=O ZINC000424190315 387913792 /nfs/dbraw/zinc/91/37/92/387913792.db2.gz FZGDQNQRVXFGHB-IWSPIJDZSA-N 1 0 241.291 -1.445 20 0 BAADRO [NH3+][C@@H]1C[C@@H]1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000424190398 387913705 /nfs/dbraw/zinc/91/37/05/387913705.db2.gz OIAFPAUKRPRPNO-NKWVEPMBSA-N 1 0 237.263 -1.397 20 0 BAADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1COCCN1 ZINC000424193658 206035726 /nfs/dbraw/zinc/03/57/26/206035726.db2.gz KQYXRCGTRZYWRN-CIUDSAMLSA-N 1 0 213.281 -1.077 20 0 BAADRO CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]1COCCN1 ZINC000424193848 206035279 /nfs/dbraw/zinc/03/52/79/206035279.db2.gz RJBFSUKBEROIHJ-NXEZZACHSA-N 1 0 242.323 -2.005 20 0 BAADRO CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H]1COCCN1 ZINC000424193850 206034531 /nfs/dbraw/zinc/03/45/31/206034531.db2.gz RJBFSUKBEROIHJ-UWVGGRQHSA-N 1 0 242.323 -2.005 20 0 BAADRO CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]1COCCN1 ZINC000424193853 206034716 /nfs/dbraw/zinc/03/47/16/206034716.db2.gz RJBFSUKBEROIHJ-VHSXEESVSA-N 1 0 242.323 -2.005 20 0 BAADRO CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1COCCN1 ZINC000424193856 206034207 /nfs/dbraw/zinc/03/42/07/206034207.db2.gz RJBFSUKBEROIHJ-ZJUUUORDSA-N 1 0 242.323 -2.005 20 0 BAADRO C[C@@H]1CN(C(=O)[C@@H]2COCCN2)C[C@H]1[NH3+] ZINC000424197323 387923867 /nfs/dbraw/zinc/92/38/67/387923867.db2.gz OCAUKQFANMAFRL-HLTSFMKQSA-N 1 0 213.281 -1.220 20 0 BAADRO C[C@@H]1CN(C(=O)[C@H]2COCCN2)C[C@@H]1[NH3+] ZINC000424197324 387925298 /nfs/dbraw/zinc/92/52/98/387925298.db2.gz OCAUKQFANMAFRL-HRDYMLBCSA-N 1 0 213.281 -1.220 20 0 BAADRO C[C@@H]1CN(C(=O)[C@H]2COCCN2)C[C@H]1[NH3+] ZINC000424197325 200884968 /nfs/dbraw/zinc/88/49/68/200884968.db2.gz OCAUKQFANMAFRL-IWSPIJDZSA-N 1 0 213.281 -1.220 20 0 BAADRO C[C@@H]1CN(C(=O)[C@@H]2COCCN2)C[C@@H]1[NH3+] ZINC000424197326 387924297 /nfs/dbraw/zinc/92/42/97/387924297.db2.gz OCAUKQFANMAFRL-VGMNWLOBSA-N 1 0 213.281 -1.220 20 0 BAADRO C[C@H]1OCCN[C@@H]1C(=O)N(C)CC[NH3+] ZINC000424199897 387928266 /nfs/dbraw/zinc/92/82/66/387928266.db2.gz QNTAWIWJMHDXKY-SFYZADRCSA-N 1 0 201.270 -1.220 20 0 BAADRO C[C@H]1OCCN[C@@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000424206194 398175806 /nfs/dbraw/zinc/17/58/06/398175806.db2.gz WSVHIESOUQTMSI-BBBLOLIVSA-N 1 0 243.307 -1.532 20 0 BAADRO C[C@H]1OCCN[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000424206215 398175498 /nfs/dbraw/zinc/17/54/98/398175498.db2.gz WSVHIESOUQTMSI-UTLUCORTSA-N 1 0 243.307 -1.532 20 0 BAADRO C[C@H]1OCCN(C(=O)C2C[NH2+]C2)[C@@H]1C(N)=O ZINC000424278501 387951068 /nfs/dbraw/zinc/95/10/68/387951068.db2.gz FDXJLIXDTSTYOH-SVRRBLITSA-N 1 0 227.264 -1.693 20 0 BAADRO CN1C(=O)N[C@@H]2CN(C(=O)C3C[NH2+]C3)CC[C@@H]21 ZINC000424282716 387951175 /nfs/dbraw/zinc/95/11/75/387951175.db2.gz MHVCWMGEJYHCLI-BDAKNGLRSA-N 1 0 238.291 -1.170 20 0 BAADRO CNC(=O)[C@H]1CN(C(=O)C2C[NH2+]C2)CCO1 ZINC000424284758 200898760 /nfs/dbraw/zinc/89/87/60/200898760.db2.gz OHWGDIYDDFRHRJ-MRVPVSSYSA-N 1 0 227.264 -1.821 20 0 BAADRO CNC(=O)[C@@H]1CN(C(=O)C2C[NH2+]C2)CCO1 ZINC000424284760 200899617 /nfs/dbraw/zinc/89/96/17/200899617.db2.gz OHWGDIYDDFRHRJ-QMMMGPOBSA-N 1 0 227.264 -1.821 20 0 BAADRO O=C(C1C[NH2+]C1)N1CCN2C(=O)N=NC2C1 ZINC000424296146 387956562 /nfs/dbraw/zinc/95/65/62/387956562.db2.gz YLIXFOHKOWNGKJ-UHFFFAOYSA-N 1 0 223.236 -1.455 20 0 BAADRO Cn1nnc(CNC(=O)NCC[NH+](C)C)n1 ZINC000427113857 191053989 /nfs/dbraw/zinc/05/39/89/191053989.db2.gz JUGNKXUCKHRMCK-UHFFFAOYSA-N 1 0 227.272 -1.429 20 0 BAADRO Cn1nncc1S(=O)(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000427932066 191101900 /nfs/dbraw/zinc/10/19/00/191101900.db2.gz NNFBSPCLJSLBRF-BDINMYNLSA-N 1 0 243.292 -1.689 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000428130476 191923976 /nfs/dbraw/zinc/92/39/76/191923976.db2.gz UBODGQUBGPHIPK-HTQZYQBOSA-N 1 0 249.336 -1.208 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000428130477 386669214 /nfs/dbraw/zinc/66/92/14/386669214.db2.gz UBODGQUBGPHIPK-JGVFFNPUSA-N 1 0 249.336 -1.208 20 0 BAADRO C[NH2+]CCCNC(=O)CN1CCCS1(=O)=O ZINC000428138173 386662449 /nfs/dbraw/zinc/66/24/49/386662449.db2.gz PRTHCXOMUOYXCY-UHFFFAOYSA-N 1 0 249.336 -1.252 20 0 BAADRO CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000428173145 387590642 /nfs/dbraw/zinc/59/06/42/387590642.db2.gz CJASAGQGYUWPHB-SSDOTTSWSA-N 1 0 249.336 -1.208 20 0 BAADRO CC(C)(NS(C)(=O)=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000428173147 387590607 /nfs/dbraw/zinc/59/06/07/387590607.db2.gz CJASAGQGYUWPHB-ZETCQYMHSA-N 1 0 249.336 -1.208 20 0 BAADRO CNC(=O)CN(C)[C@@]1(CO)CCOC1 ZINC000428345409 201010104 /nfs/dbraw/zinc/01/01/04/201010104.db2.gz LUMONEZVZPYRME-SECBINFHSA-N 1 0 202.254 -1.184 20 0 BAADRO CNC(=O)CN(C)[C@]1(CO)CCOC1 ZINC000428345415 201010131 /nfs/dbraw/zinc/01/01/31/201010131.db2.gz LUMONEZVZPYRME-VIFPVBQESA-N 1 0 202.254 -1.184 20 0 BAADRO CC(C)(NS(C)(=O)=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000428360997 201011423 /nfs/dbraw/zinc/01/14/23/201011423.db2.gz DBJIEGWPFGDYGY-SSDOTTSWSA-N 1 0 249.336 -1.126 20 0 BAADRO C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC000428422851 201016284 /nfs/dbraw/zinc/01/62/84/201016284.db2.gz MMINRIDHXQCSMI-HTQZYQBOSA-N 1 0 249.336 -1.256 20 0 BAADRO C[NH2+][C@@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC000428422858 201015817 /nfs/dbraw/zinc/01/58/17/201015817.db2.gz MMINRIDHXQCSMI-JGVFFNPUSA-N 1 0 249.336 -1.256 20 0 BAADRO C[NH2+][C@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC000428422859 201015066 /nfs/dbraw/zinc/01/50/66/201015066.db2.gz MMINRIDHXQCSMI-SFYZADRCSA-N 1 0 249.336 -1.256 20 0 BAADRO C[NH2+][C@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC000428422861 201016353 /nfs/dbraw/zinc/01/63/53/201016353.db2.gz MMINRIDHXQCSMI-YUMQZZPRSA-N 1 0 249.336 -1.256 20 0 BAADRO C[NH2+][C@@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1 ZINC000428423286 201014600 /nfs/dbraw/zinc/01/46/00/201014600.db2.gz PTQVQTLTDIWNSY-MRVPVSSYSA-N 1 0 249.336 -1.302 20 0 BAADRO C[NH2+][C@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1 ZINC000428423287 201016613 /nfs/dbraw/zinc/01/66/13/201016613.db2.gz PTQVQTLTDIWNSY-QMMMGPOBSA-N 1 0 249.336 -1.302 20 0 BAADRO CN(CC(=O)N1CCC[NH2+]CC1)S(C)(=O)=O ZINC000428440236 201018315 /nfs/dbraw/zinc/01/83/15/201018315.db2.gz KVJZAAVKYXGEKE-UHFFFAOYSA-N 1 0 249.336 -1.300 20 0 BAADRO CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H]([NH3+])C1 ZINC000428464432 201023080 /nfs/dbraw/zinc/02/30/80/201023080.db2.gz UBWYGHZBHGMLMV-MRVPVSSYSA-N 1 0 249.336 -1.173 20 0 BAADRO CC1(C)NC(=O)N(CC(=O)NCCC[NH3+])C1=O ZINC000428475160 201022897 /nfs/dbraw/zinc/02/28/97/201022897.db2.gz BMWAAQAHKOGXNI-UHFFFAOYSA-N 1 0 242.279 -1.218 20 0 BAADRO [NH3+]CCCNC(=O)CCN1CCCS1(=O)=O ZINC000428478331 201024308 /nfs/dbraw/zinc/02/43/08/201024308.db2.gz FZFQHSFILUODHJ-UHFFFAOYSA-N 1 0 249.336 -1.123 20 0 BAADRO Cn1c(=O)ccn(CC(=O)NCCC[NH3+])c1=O ZINC000428483412 201025206 /nfs/dbraw/zinc/02/52/06/201025206.db2.gz OBJNXMYKELTYPS-UHFFFAOYSA-N 1 0 240.263 -1.988 20 0 BAADRO CC1(C)C(=O)NC(=O)N1CC(=O)NCCC[NH3+] ZINC000428491549 191081145 /nfs/dbraw/zinc/08/11/45/191081145.db2.gz XDXVQDXDMAWRIQ-UHFFFAOYSA-N 1 0 242.279 -1.218 20 0 BAADRO O=C(CN1CCCS1(=O)=O)N[C@@H]1CC[NH2+]C1 ZINC000428649943 201031184 /nfs/dbraw/zinc/03/11/84/201031184.db2.gz HINSPDQVSKMGRQ-MRVPVSSYSA-N 1 0 247.320 -1.500 20 0 BAADRO O=C(CN1CCCS1(=O)=O)N[C@H]1CC[NH2+]C1 ZINC000428649947 201031160 /nfs/dbraw/zinc/03/11/60/201031160.db2.gz HINSPDQVSKMGRQ-QMMMGPOBSA-N 1 0 247.320 -1.500 20 0 BAADRO CC1(C)C(=O)NC(=O)N1CC(=O)NCC[NH3+] ZINC000428735317 201039840 /nfs/dbraw/zinc/03/98/40/201039840.db2.gz VQEWZUDHCUVXCO-UHFFFAOYSA-N 1 0 228.252 -1.608 20 0 BAADRO CN(CC(=O)NCC[NH3+])c1ncnc2nc[nH]c21 ZINC000428748296 201040428 /nfs/dbraw/zinc/04/04/28/201040428.db2.gz MBVFQICLBUZBFZ-UHFFFAOYSA-N 1 0 249.278 -1.136 20 0 BAADRO [NH3+]CCNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000428767840 643955234 /nfs/dbraw/zinc/95/52/34/643955234.db2.gz SJHBDSHJJKMALW-SSDOTTSWSA-N 1 0 237.263 -1.163 20 0 BAADRO [NH3+]CCNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000428767841 643956438 /nfs/dbraw/zinc/95/64/38/643956438.db2.gz SJHBDSHJJKMALW-ZETCQYMHSA-N 1 0 237.263 -1.163 20 0 BAADRO NC(=O)NC(=O)C[NH2+]C1(C(N)=O)CCCCC1 ZINC000428769303 201042023 /nfs/dbraw/zinc/04/20/23/201042023.db2.gz PWXIWMHEMLVTEI-UHFFFAOYSA-N 1 0 242.279 -1.041 20 0 BAADRO [NH3+]CCNC(=O)CNC(=O)c1ccccn1 ZINC000428776025 201040805 /nfs/dbraw/zinc/04/08/05/201040805.db2.gz DAOWVQISRJKHRD-UHFFFAOYSA-N 1 0 222.248 -1.114 20 0 BAADRO Cn1c(=O)[nH]cc(C(=O)NC(C)(C)C[NH3+])c1=O ZINC000428891511 201046945 /nfs/dbraw/zinc/04/69/45/201046945.db2.gz HRSRHVHNNDRFQX-UHFFFAOYSA-N 1 0 240.263 -1.047 20 0 BAADRO CN1CC(=O)N(CC(=O)NC(C)(C)C[NH3+])C1=O ZINC000428900563 201048266 /nfs/dbraw/zinc/04/82/66/201048266.db2.gz YYFIJXBJOWLEDP-UHFFFAOYSA-N 1 0 242.279 -1.266 20 0 BAADRO CC(C)(C[NH3+])NC(=O)CN1CCCS1(=O)=O ZINC000428911062 201044917 /nfs/dbraw/zinc/04/49/17/201044917.db2.gz IUZHOBOATLGZEI-UHFFFAOYSA-N 1 0 249.336 -1.125 20 0 BAADRO C[C@@H]([NH3+])CCNC(=O)CN1CCCS1(=O)=O ZINC000429041326 201061075 /nfs/dbraw/zinc/06/10/75/201061075.db2.gz AKRGJQGKSWHBFW-MRVPVSSYSA-N 1 0 249.336 -1.125 20 0 BAADRO C[C@H]([NH3+])CCNC(=O)CN1CCCS1(=O)=O ZINC000429041327 201061114 /nfs/dbraw/zinc/06/11/14/201061114.db2.gz AKRGJQGKSWHBFW-QMMMGPOBSA-N 1 0 249.336 -1.125 20 0 BAADRO CCS(=O)(=O)N(C)CC(=O)N1CC[C@H]([NH3+])C1 ZINC000429066057 201066586 /nfs/dbraw/zinc/06/65/86/201066586.db2.gz UBWYGHZBHGMLMV-QMMMGPOBSA-N 1 0 249.336 -1.173 20 0 BAADRO CC(C)(NS(C)(=O)=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000429073823 201066086 /nfs/dbraw/zinc/06/60/86/201066086.db2.gz DBJIEGWPFGDYGY-ZETCQYMHSA-N 1 0 249.336 -1.126 20 0 BAADRO O=C(CN1CC(=O)NC1=O)NC[C@H]1CCC[NH2+]1 ZINC000429078096 201066595 /nfs/dbraw/zinc/06/65/95/201066595.db2.gz JENQWOFDLQJZJM-SSDOTTSWSA-N 1 0 240.263 -1.594 20 0 BAADRO O=C(CN1CC(=O)NC1=O)NC[C@@H]1CCC[NH2+]1 ZINC000429078099 201066173 /nfs/dbraw/zinc/06/61/73/201066173.db2.gz JENQWOFDLQJZJM-ZETCQYMHSA-N 1 0 240.263 -1.594 20 0 BAADRO C[NH2+]CCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC000429083891 201066468 /nfs/dbraw/zinc/06/64/68/201066468.db2.gz VRINZUQPBATCPX-UHFFFAOYSA-N 1 0 240.263 -2.117 20 0 BAADRO C[NH2+]CCNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000429093727 201065747 /nfs/dbraw/zinc/06/57/47/201065747.db2.gz BRNCITPOYFZXTE-UHFFFAOYSA-N 1 0 242.279 -1.348 20 0 BAADRO CC[NH2+]CCNC(=O)CN1C(=O)CN(C)C1=O ZINC000429094913 201067938 /nfs/dbraw/zinc/06/79/38/201067938.db2.gz FUDQTVUHPGWGLV-UHFFFAOYSA-N 1 0 242.279 -1.394 20 0 BAADRO C[NH2+]CCNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000429096450 201067233 /nfs/dbraw/zinc/06/72/33/201067233.db2.gz OQZFVIFWEIQDHY-UHFFFAOYSA-N 1 0 242.279 -1.348 20 0 BAADRO C[NH2+]CCNC(=O)CCC(=O)N1CCOCC1 ZINC000429100115 201069199 /nfs/dbraw/zinc/06/91/99/201069199.db2.gz WVBDKZCXEYCTPV-UHFFFAOYSA-N 1 0 243.307 -1.039 20 0 BAADRO C[NH2+]CCNC(=O)CCN1CCCS1(=O)=O ZINC000429101721 201069017 /nfs/dbraw/zinc/06/90/17/201069017.db2.gz XJWRLRYUHCZVKU-UHFFFAOYSA-N 1 0 249.336 -1.252 20 0 BAADRO CC[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000429103711 201068016 /nfs/dbraw/zinc/06/80/16/201068016.db2.gz NUJUWBGZODVMNF-UHFFFAOYSA-N 1 0 240.263 -1.175 20 0 BAADRO CCC[N@H+](CCC(=O)NC(N)=O)CC(N)=O ZINC000429113344 201067990 /nfs/dbraw/zinc/06/79/90/201067990.db2.gz CZMYVSZOUPZTNU-UHFFFAOYSA-N 1 0 230.268 -1.231 20 0 BAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000429144458 201074120 /nfs/dbraw/zinc/07/41/20/201074120.db2.gz SPZGSMJOGQYKKW-HTQZYQBOSA-N 1 0 249.336 -1.221 20 0 BAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000429144459 201073262 /nfs/dbraw/zinc/07/32/62/201073262.db2.gz SPZGSMJOGQYKKW-JGVFFNPUSA-N 1 0 249.336 -1.221 20 0 BAADRO CNS(=O)(=O)CC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000429144460 201074070 /nfs/dbraw/zinc/07/40/70/201074070.db2.gz SPZGSMJOGQYKKW-SFYZADRCSA-N 1 0 249.336 -1.221 20 0 BAADRO CNS(=O)(=O)CC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000429144461 201073574 /nfs/dbraw/zinc/07/35/74/201073574.db2.gz SPZGSMJOGQYKKW-YUMQZZPRSA-N 1 0 249.336 -1.221 20 0 BAADRO CCC[N@H+](CCCS(N)(=O)=O)CC(N)=O ZINC000429178606 201077213 /nfs/dbraw/zinc/07/72/13/201077213.db2.gz UKTSIQORJUBDNR-UHFFFAOYSA-N 1 0 237.325 -1.138 20 0 BAADRO CC(C)[C@H]([NH3+])CNC(=O)CN1CC(=O)NC1=O ZINC000429182557 201077899 /nfs/dbraw/zinc/07/78/99/201077899.db2.gz ONTCVXZNQXHQFZ-SSDOTTSWSA-N 1 0 242.279 -1.362 20 0 BAADRO CC(C)[C@@H]([NH3+])CNC(=O)CN1CC(=O)NC1=O ZINC000429182559 201078518 /nfs/dbraw/zinc/07/85/18/201078518.db2.gz ONTCVXZNQXHQFZ-ZETCQYMHSA-N 1 0 242.279 -1.362 20 0 BAADRO C[NH2+]C[C@@H](C)CNC(=O)CN1CC(=O)NC1=O ZINC000429221758 201081835 /nfs/dbraw/zinc/08/18/35/201081835.db2.gz OIXWSIYLQGEZRH-SSDOTTSWSA-N 1 0 242.279 -1.490 20 0 BAADRO C[NH2+]C[C@H](C)CNC(=O)CN1CC(=O)NC1=O ZINC000429221760 201080295 /nfs/dbraw/zinc/08/02/95/201080295.db2.gz OIXWSIYLQGEZRH-ZETCQYMHSA-N 1 0 242.279 -1.490 20 0 BAADRO CNS(=O)(=O)CC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000429224628 201080834 /nfs/dbraw/zinc/08/08/34/201080834.db2.gz BZUDWCKVIRTUMY-SECBINFHSA-N 1 0 249.336 -1.221 20 0 BAADRO CNS(=O)(=O)CC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000429224629 201080486 /nfs/dbraw/zinc/08/04/86/201080486.db2.gz BZUDWCKVIRTUMY-VIFPVBQESA-N 1 0 249.336 -1.221 20 0 BAADRO C[C@H](C[NH3+])N(C)C(=O)CN1C(=O)CN(C)C1=O ZINC000429340295 201100728 /nfs/dbraw/zinc/10/07/28/201100728.db2.gz HSIKKAIFRUKFIP-SSDOTTSWSA-N 1 0 242.279 -1.314 20 0 BAADRO C[C@@H](C[NH3+])N(C)C(=O)CN1C(=O)CN(C)C1=O ZINC000429340296 201100415 /nfs/dbraw/zinc/10/04/15/201100415.db2.gz HSIKKAIFRUKFIP-ZETCQYMHSA-N 1 0 242.279 -1.314 20 0 BAADRO C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[NH2+]1 ZINC000429352457 201102940 /nfs/dbraw/zinc/10/29/40/201102940.db2.gz WRNDUHOIUWOOOD-SSDOTTSWSA-N 1 0 240.263 -1.642 20 0 BAADRO C[C@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[NH2+]1 ZINC000429352458 201104830 /nfs/dbraw/zinc/10/48/30/201104830.db2.gz WRNDUHOIUWOOOD-ZETCQYMHSA-N 1 0 240.263 -1.642 20 0 BAADRO CCC[N@H+](C)CC(=O)N[C@H](CO)C(=O)OC ZINC000429480003 201109558 /nfs/dbraw/zinc/10/95/58/201109558.db2.gz DMUOZTIGVDGCFY-MRVPVSSYSA-N 1 0 232.280 -1.022 20 0 BAADRO CCC[N@H+](C)CC(=O)N[C@@H](CO)C(=O)OC ZINC000429480006 201110039 /nfs/dbraw/zinc/11/00/39/201110039.db2.gz DMUOZTIGVDGCFY-QMMMGPOBSA-N 1 0 232.280 -1.022 20 0 BAADRO CNS(=O)(=O)CC(=O)N1CCC[C@@H]1C[NH2+]C ZINC000429520679 201112827 /nfs/dbraw/zinc/11/28/27/201112827.db2.gz LVAQDRYJSPGAMF-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO CNS(=O)(=O)CC(=O)N1CCC[C@H]1C[NH2+]C ZINC000429520680 201112282 /nfs/dbraw/zinc/11/22/82/201112282.db2.gz LVAQDRYJSPGAMF-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000429551081 201114677 /nfs/dbraw/zinc/11/46/77/201114677.db2.gz ZKAQLYQXLIGACP-HTRCEHHLSA-N 1 0 249.336 -1.222 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000429551085 201114661 /nfs/dbraw/zinc/11/46/61/201114661.db2.gz ZKAQLYQXLIGACP-POYBYMJQSA-N 1 0 249.336 -1.222 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000429551086 201114766 /nfs/dbraw/zinc/11/47/66/201114766.db2.gz ZKAQLYQXLIGACP-SVRRBLITSA-N 1 0 249.336 -1.222 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000429551088 201114664 /nfs/dbraw/zinc/11/46/64/201114664.db2.gz ZKAQLYQXLIGACP-XPUUQOCRSA-N 1 0 249.336 -1.222 20 0 BAADRO CN(CC(=O)N[C@H](C[NH3+])C1CC1)S(C)(=O)=O ZINC000429598403 201122205 /nfs/dbraw/zinc/12/22/05/201122205.db2.gz QFTWXOCGZYXKTJ-MRVPVSSYSA-N 1 0 249.336 -1.269 20 0 BAADRO CN(CC(=O)N[C@@H](C[NH3+])C1CC1)S(C)(=O)=O ZINC000429598404 201120431 /nfs/dbraw/zinc/12/04/31/201120431.db2.gz QFTWXOCGZYXKTJ-QMMMGPOBSA-N 1 0 249.336 -1.269 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000429624773 201122939 /nfs/dbraw/zinc/12/29/39/201122939.db2.gz BUHJBCPSUCDOBP-HTQZYQBOSA-N 1 0 249.336 -1.126 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000429624777 201123188 /nfs/dbraw/zinc/12/31/88/201123188.db2.gz BUHJBCPSUCDOBP-JGVFFNPUSA-N 1 0 249.336 -1.126 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@H]1C[NH3+] ZINC000429624779 201123018 /nfs/dbraw/zinc/12/30/18/201123018.db2.gz BUHJBCPSUCDOBP-SFYZADRCSA-N 1 0 249.336 -1.126 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@H]1C[NH3+] ZINC000429624781 201124474 /nfs/dbraw/zinc/12/44/74/201124474.db2.gz BUHJBCPSUCDOBP-YUMQZZPRSA-N 1 0 249.336 -1.126 20 0 BAADRO CC(C)([NH3+])CNC(=O)CN1CCCS1(=O)=O ZINC000429631321 192371994 /nfs/dbraw/zinc/37/19/94/192371994.db2.gz AWJZIVYFKZPSOL-UHFFFAOYSA-N 1 0 249.336 -1.125 20 0 BAADRO CN1CC(=O)N(CC(=O)NCC(C)(C)[NH3+])C1=O ZINC000429645283 201124352 /nfs/dbraw/zinc/12/43/52/201124352.db2.gz RUAQCOKTJNMJIC-UHFFFAOYSA-N 1 0 242.279 -1.266 20 0 BAADRO Cn1c(=O)[nH]cc(C(=O)NCC(C)(C)[NH3+])c1=O ZINC000429648215 201123938 /nfs/dbraw/zinc/12/39/38/201123938.db2.gz VJOBOLAQSQSBHO-UHFFFAOYSA-N 1 0 240.263 -1.047 20 0 BAADRO CN(C)C(=O)CCNC(=O)COC1C[NH2+]C1 ZINC000429668667 201123404 /nfs/dbraw/zinc/12/34/04/201123404.db2.gz ARQCBAGPWAXRJB-UHFFFAOYSA-N 1 0 229.280 -1.431 20 0 BAADRO CC(C)NC(=O)CNC(=O)COC1C[NH2+]C1 ZINC000429677868 201124046 /nfs/dbraw/zinc/12/40/46/201124046.db2.gz DPAPNRMKYAETAY-UHFFFAOYSA-N 1 0 229.280 -1.384 20 0 BAADRO COC(=O)[C@](C)(O)C[N@H+](C)CC(C)(CO)CO ZINC000429678759 201125438 /nfs/dbraw/zinc/12/54/38/201125438.db2.gz CTPNNFONKHXDND-LLVKDONJSA-N 1 0 249.307 -1.167 20 0 BAADRO COC(=O)[C@@](C)(O)C[N@H+](C)CC(C)(CO)CO ZINC000429678762 201127667 /nfs/dbraw/zinc/12/76/67/201127667.db2.gz CTPNNFONKHXDND-NSHDSACASA-N 1 0 249.307 -1.167 20 0 BAADRO CC(C)CN(CC(N)=O)C(=O)COC1C[NH2+]C1 ZINC000429705272 201125976 /nfs/dbraw/zinc/12/59/76/201125976.db2.gz YHFQJUANIXOXFH-UHFFFAOYSA-N 1 0 243.307 -1.055 20 0 BAADRO CC(C)C(=O)NCCNC(=O)COC1C[NH2+]C1 ZINC000429744675 201131651 /nfs/dbraw/zinc/13/16/51/201131651.db2.gz RGBSIJSANCRSRT-UHFFFAOYSA-N 1 0 243.307 -1.137 20 0 BAADRO O=C(COC1C[NH2+]C1)NCCNC(=O)C1CC1 ZINC000429749782 201131823 /nfs/dbraw/zinc/13/18/23/201131823.db2.gz SCRNYEHUBKMECS-UHFFFAOYSA-N 1 0 241.291 -1.383 20 0 BAADRO CNC(=O)CNC(=O)[C@@]1(CCOC)CC[NH2+]C1 ZINC000429750184 201131747 /nfs/dbraw/zinc/13/17/47/201131747.db2.gz MOSXKOBKLUSBGB-LLVKDONJSA-N 1 0 243.307 -1.135 20 0 BAADRO CNC(=O)CNC(=O)[C@]1(CCOC)CC[NH2+]C1 ZINC000429750190 201131433 /nfs/dbraw/zinc/13/14/33/201131433.db2.gz MOSXKOBKLUSBGB-NSHDSACASA-N 1 0 243.307 -1.135 20 0 BAADRO CN(C)C(=O)CN(C)C(=O)COC1C[NH2+]C1 ZINC000429752040 201131789 /nfs/dbraw/zinc/13/17/89/201131789.db2.gz MWAMFILGPOXXGO-UHFFFAOYSA-N 1 0 229.280 -1.479 20 0 BAADRO CC(C)N(CC(N)=O)C(=O)COC1C[NH2+]C1 ZINC000429759278 201131462 /nfs/dbraw/zinc/13/14/62/201131462.db2.gz TZFFZAVPVMMKMI-UHFFFAOYSA-N 1 0 229.280 -1.303 20 0 BAADRO CCCNC(=O)CNC(=O)COC1C[NH2+]C1 ZINC000429774496 201131398 /nfs/dbraw/zinc/13/13/98/201131398.db2.gz UBVBSPDKRBCSSK-UHFFFAOYSA-N 1 0 229.280 -1.383 20 0 BAADRO O=C(CNC(=O)COC1C[NH2+]C1)NC1CC1 ZINC000429779423 201131688 /nfs/dbraw/zinc/13/16/88/201131688.db2.gz AIKNNBNNLJVHFA-UHFFFAOYSA-N 1 0 227.264 -1.630 20 0 BAADRO CC(C)NC(=O)CN(C)C(=O)COC1C[NH2+]C1 ZINC000429782041 398224966 /nfs/dbraw/zinc/22/49/66/398224966.db2.gz HTNFKUWTEMGYFN-UHFFFAOYSA-N 1 0 243.307 -1.042 20 0 BAADRO COCC[C@]1(C(=O)N[C@@H](C)C(N)=O)CC[NH2+]C1 ZINC000429783398 398225477 /nfs/dbraw/zinc/22/54/77/398225477.db2.gz HRFPETKZIBVVJA-GZMMTYOYSA-N 1 0 243.307 -1.007 20 0 BAADRO COCC[C@@]1(C(=O)N[C@@H](C)C(N)=O)CC[NH2+]C1 ZINC000429783401 398225356 /nfs/dbraw/zinc/22/53/56/398225356.db2.gz HRFPETKZIBVVJA-KWQFWETISA-N 1 0 243.307 -1.007 20 0 BAADRO CN(CC(=O)NC1CC1)C(=O)COC1C[NH2+]C1 ZINC000429784144 324119961 /nfs/dbraw/zinc/11/99/61/324119961.db2.gz MVOHRBJOHSCGHE-UHFFFAOYSA-N 1 0 241.291 -1.288 20 0 BAADRO CCNC(=O)[C@@H](C)NC(=O)COC1C[NH2+]C1 ZINC000429793888 201132613 /nfs/dbraw/zinc/13/26/13/201132613.db2.gz GMKOYJLFCAPQHL-SSDOTTSWSA-N 1 0 229.280 -1.384 20 0 BAADRO CCNC(=O)[C@H](C)NC(=O)COC1C[NH2+]C1 ZINC000429793889 201132262 /nfs/dbraw/zinc/13/22/62/201132262.db2.gz GMKOYJLFCAPQHL-ZETCQYMHSA-N 1 0 229.280 -1.384 20 0 BAADRO C[C@@H]1C(=O)NCCN1C(=O)COC1C[NH2+]C1 ZINC000429890246 201135034 /nfs/dbraw/zinc/13/50/34/201135034.db2.gz JMQNDSOXVFQOMV-SSDOTTSWSA-N 1 0 227.264 -1.678 20 0 BAADRO C[C@H]1C(=O)NCCN1C(=O)COC1C[NH2+]C1 ZINC000429890247 201134127 /nfs/dbraw/zinc/13/41/27/201134127.db2.gz JMQNDSOXVFQOMV-ZETCQYMHSA-N 1 0 227.264 -1.678 20 0 BAADRO CN1C[C@H](NC(=O)COC2C[NH2+]C2)CC1=O ZINC000429914503 201134866 /nfs/dbraw/zinc/13/48/66/201134866.db2.gz QPIBBAHRMMSLSY-SSDOTTSWSA-N 1 0 227.264 -1.678 20 0 BAADRO CN1C[C@@H](NC(=O)COC2C[NH2+]C2)CC1=O ZINC000429914504 201134027 /nfs/dbraw/zinc/13/40/27/201134027.db2.gz QPIBBAHRMMSLSY-ZETCQYMHSA-N 1 0 227.264 -1.678 20 0 BAADRO CC(C)(CNC(=O)COC1C[NH2+]C1)C(N)=O ZINC000429948922 387599687 /nfs/dbraw/zinc/59/96/87/387599687.db2.gz FZJHFFFTEFDJHG-UHFFFAOYSA-N 1 0 229.280 -1.398 20 0 BAADRO O=C(COC1C[NH2+]C1)NC[C@@H]1COCCO1 ZINC000429954284 201136943 /nfs/dbraw/zinc/13/69/43/201136943.db2.gz NCDIZUHXICNOEK-SECBINFHSA-N 1 0 230.264 -1.494 20 0 BAADRO O=C(COC1C[NH2+]C1)NC[C@H]1COCCO1 ZINC000429954287 201136972 /nfs/dbraw/zinc/13/69/72/201136972.db2.gz NCDIZUHXICNOEK-VIFPVBQESA-N 1 0 230.264 -1.494 20 0 BAADRO CCCN(CC(=O)NC)C(=O)COC1C[NH2+]C1 ZINC000429974638 201137077 /nfs/dbraw/zinc/13/70/77/201137077.db2.gz MGNQOBXOOKBYCR-UHFFFAOYSA-N 1 0 243.307 -1.041 20 0 BAADRO C[NH2+]CC(=O)Nc1ccn(CC(=O)OC)n1 ZINC000429988277 412291265 /nfs/dbraw/zinc/29/12/65/412291265.db2.gz WZPYSZLYHPEKHJ-UHFFFAOYSA-N 1 0 226.236 -0.786 20 0 BAADRO CC(C)(C)[C@H](NC(=O)COC1C[NH2+]C1)C(N)=O ZINC000430010018 201137843 /nfs/dbraw/zinc/13/78/43/201137843.db2.gz CQRBUQJRGBAIBU-SECBINFHSA-N 1 0 243.307 -1.009 20 0 BAADRO CNC(=O)CCN(C)C(=O)COC1C[NH2+]C1 ZINC000430043393 201139223 /nfs/dbraw/zinc/13/92/23/201139223.db2.gz AJGZZKAHNNGDTA-UHFFFAOYSA-N 1 0 229.280 -1.431 20 0 BAADRO CC[C@@H]1C(=O)NCCN1C(=O)COC1C[NH2+]C1 ZINC000430046982 201141036 /nfs/dbraw/zinc/14/10/36/201141036.db2.gz RGLMMEWQGCIENI-SECBINFHSA-N 1 0 241.291 -1.288 20 0 BAADRO CC[C@H]1C(=O)NCCN1C(=O)COC1C[NH2+]C1 ZINC000430046983 201139791 /nfs/dbraw/zinc/13/97/91/201139791.db2.gz RGLMMEWQGCIENI-VIFPVBQESA-N 1 0 241.291 -1.288 20 0 BAADRO CNC(=O)[C@H](C)CN(C)C(=O)COC1C[NH2+]C1 ZINC000430054547 201139954 /nfs/dbraw/zinc/13/99/54/201139954.db2.gz AEZQCIBZSJBMNH-MRVPVSSYSA-N 1 0 243.307 -1.185 20 0 BAADRO CNC(=O)[C@@H](C)CN(C)C(=O)COC1C[NH2+]C1 ZINC000430054549 201141255 /nfs/dbraw/zinc/14/12/55/201141255.db2.gz AEZQCIBZSJBMNH-QMMMGPOBSA-N 1 0 243.307 -1.185 20 0 BAADRO NC(=O)NC(=O)CCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000430066992 201141098 /nfs/dbraw/zinc/14/10/98/201141098.db2.gz SFVVCTXRCFTBNW-SSDOTTSWSA-N 1 0 242.279 -1.170 20 0 BAADRO NC(=O)NC(=O)CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000430066996 201139768 /nfs/dbraw/zinc/13/97/68/201139768.db2.gz SFVVCTXRCFTBNW-ZETCQYMHSA-N 1 0 242.279 -1.170 20 0 BAADRO NC(=O)NC(=O)CCNC(=O)C[NH2+]CC1CC1 ZINC000430068845 201139688 /nfs/dbraw/zinc/13/96/88/201139688.db2.gz XAIVGEUIYWZDEL-UHFFFAOYSA-N 1 0 242.279 -1.313 20 0 BAADRO NC(=O)CC1(NC(=O)[C@H]2C[NH2+]CCO2)CCC1 ZINC000430069389 201139871 /nfs/dbraw/zinc/13/98/71/201139871.db2.gz APVOWZMNMHRCNO-MRVPVSSYSA-N 1 0 241.291 -1.111 20 0 BAADRO NC(=O)CC1(NC(=O)[C@@H]2C[NH2+]CCO2)CCC1 ZINC000430069390 201141272 /nfs/dbraw/zinc/14/12/72/201141272.db2.gz APVOWZMNMHRCNO-QMMMGPOBSA-N 1 0 241.291 -1.111 20 0 BAADRO NC(=O)NC(=O)CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000430069751 201140107 /nfs/dbraw/zinc/14/01/07/201140107.db2.gz VWXKBAUWARCXLG-SSDOTTSWSA-N 1 0 242.279 -1.170 20 0 BAADRO NC(=O)NC(=O)CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000430069752 201139649 /nfs/dbraw/zinc/13/96/49/201139649.db2.gz VWXKBAUWARCXLG-ZETCQYMHSA-N 1 0 242.279 -1.170 20 0 BAADRO NC(=O)CC1(NC(=O)COC2C[NH2+]C2)CCC1 ZINC000430069872 201140141 /nfs/dbraw/zinc/14/01/41/201140141.db2.gz BMMNLHYNGMUMOR-UHFFFAOYSA-N 1 0 241.291 -1.111 20 0 BAADRO CC1(C)C(=O)NCCN1C(=O)COC1C[NH2+]C1 ZINC000430106108 201144262 /nfs/dbraw/zinc/14/42/62/201144262.db2.gz YDSZVKDKXQECLS-UHFFFAOYSA-N 1 0 241.291 -1.288 20 0 BAADRO O=C(COC1C[NH2+]C1)N[C@@H]1CCCCNC1=O ZINC000430155893 201149063 /nfs/dbraw/zinc/14/90/63/201149063.db2.gz JIRXHGDBGAUMPP-SECBINFHSA-N 1 0 241.291 -1.240 20 0 BAADRO O=C(COC1C[NH2+]C1)N[C@H]1CCCCNC1=O ZINC000430155894 201148445 /nfs/dbraw/zinc/14/84/45/201148445.db2.gz JIRXHGDBGAUMPP-VIFPVBQESA-N 1 0 241.291 -1.240 20 0 BAADRO COCC[C@]1(C(=O)NCCC(N)=O)CC[NH2+]C1 ZINC000430157035 201148977 /nfs/dbraw/zinc/14/89/77/201148977.db2.gz PBTWGAANNWPDPY-LLVKDONJSA-N 1 0 243.307 -1.006 20 0 BAADRO COCC[C@@]1(C(=O)NCCC(N)=O)CC[NH2+]C1 ZINC000430157036 201150013 /nfs/dbraw/zinc/15/00/13/201150013.db2.gz PBTWGAANNWPDPY-NSHDSACASA-N 1 0 243.307 -1.006 20 0 BAADRO C[NH2+]CC(=O)N[C@@H](CC(=O)OC)C(=O)OC ZINC000430250297 201155541 /nfs/dbraw/zinc/15/55/41/201155541.db2.gz TUMCYNBIZQNYSH-LURJTMIESA-N 1 0 232.236 -1.573 20 0 BAADRO C[NH2+]CC(=O)N[C@H](CC(=O)OC)C(=O)OC ZINC000430250298 201155753 /nfs/dbraw/zinc/15/57/53/201155753.db2.gz TUMCYNBIZQNYSH-ZCFIWIBFSA-N 1 0 232.236 -1.573 20 0 BAADRO CCS(=O)(=O)NCCCNC(=O)C1([NH3+])CC1 ZINC000430257156 387601754 /nfs/dbraw/zinc/60/17/54/387601754.db2.gz LCCIWOVUBLCTSC-UHFFFAOYSA-N 1 0 249.336 -1.077 20 0 BAADRO CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC000430259218 387600757 /nfs/dbraw/zinc/60/07/57/387600757.db2.gz DYWMOEPGUGEWSB-JTQLQIEISA-N 1 0 242.279 -1.361 20 0 BAADRO CNC(=O)[C@]1(C)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC000430259221 387601376 /nfs/dbraw/zinc/60/13/76/387601376.db2.gz DYWMOEPGUGEWSB-SNVBAGLBSA-N 1 0 242.279 -1.361 20 0 BAADRO NC(=O)[C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]2)CCO1 ZINC000430272612 387606582 /nfs/dbraw/zinc/60/65/82/387606582.db2.gz KEMMGGSJKPYRKK-BDAKNGLRSA-N 1 0 241.291 -1.159 20 0 BAADRO NC(=O)[C@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)CCO1 ZINC000430272613 192863746 /nfs/dbraw/zinc/86/37/46/192863746.db2.gz KEMMGGSJKPYRKK-DTWKUNHWSA-N 1 0 241.291 -1.159 20 0 BAADRO NC(=O)[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)CCO1 ZINC000430272614 201156840 /nfs/dbraw/zinc/15/68/40/201156840.db2.gz KEMMGGSJKPYRKK-IUCAKERBSA-N 1 0 241.291 -1.159 20 0 BAADRO NC(=O)[C@H]1CN(C(=O)C[C@H]2CCC[NH2+]2)CCO1 ZINC000430272615 201156409 /nfs/dbraw/zinc/15/64/09/201156409.db2.gz KEMMGGSJKPYRKK-RKDXNWHRSA-N 1 0 241.291 -1.159 20 0 BAADRO NC(=O)[C@@H]1CN(C(=O)[C@H]2CCC[C@H]2[NH3+])CCO1 ZINC000430275554 488054892 /nfs/dbraw/zinc/05/48/92/488054892.db2.gz KSXGSSXYSARNEQ-YIZRAAEISA-N 1 0 241.291 -1.174 20 0 BAADRO NC(=O)[C@H]1CN(C(=O)C[NH2+]CC2CC2)CCO1 ZINC000430275592 387605795 /nfs/dbraw/zinc/60/57/95/387605795.db2.gz LDAXUUOMUDHXJM-SECBINFHSA-N 1 0 241.291 -1.301 20 0 BAADRO NC(=O)[C@@H]1CN(C(=O)C[NH2+]CC2CC2)CCO1 ZINC000430275595 192864092 /nfs/dbraw/zinc/86/40/92/192864092.db2.gz LDAXUUOMUDHXJM-VIFPVBQESA-N 1 0 241.291 -1.301 20 0 BAADRO CN(C)C(=O)CCCNC(=O)COC1C[NH2+]C1 ZINC000430298311 387609010 /nfs/dbraw/zinc/60/90/10/387609010.db2.gz GNKCAORTMBTDCL-UHFFFAOYSA-N 1 0 243.307 -1.041 20 0 BAADRO CN1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]CCO2)C1=O ZINC000430377087 387612755 /nfs/dbraw/zinc/61/27/55/387612755.db2.gz NSQDHYZGXOKYSY-BDAKNGLRSA-N 1 0 241.291 -1.288 20 0 BAADRO CN1CCC[C@H](NC(=O)[C@H]2C[NH2+]CCO2)C1=O ZINC000430377088 387613592 /nfs/dbraw/zinc/61/35/92/387613592.db2.gz NSQDHYZGXOKYSY-DTWKUNHWSA-N 1 0 241.291 -1.288 20 0 BAADRO CN1CCC[C@H](NC(=O)[C@@H]2C[NH2+]CCO2)C1=O ZINC000430377089 387612715 /nfs/dbraw/zinc/61/27/15/387612715.db2.gz NSQDHYZGXOKYSY-IUCAKERBSA-N 1 0 241.291 -1.288 20 0 BAADRO CN1CCC[C@@H](NC(=O)[C@H]2C[NH2+]CCO2)C1=O ZINC000430377090 192870412 /nfs/dbraw/zinc/87/04/12/192870412.db2.gz NSQDHYZGXOKYSY-RKDXNWHRSA-N 1 0 241.291 -1.288 20 0 BAADRO COCC[NH2+]CC(=O)N[C@@H]1CCCN(C)C1=O ZINC000430378705 387615029 /nfs/dbraw/zinc/61/50/29/387615029.db2.gz RNVUXSZWOXYSQR-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO COCC[NH2+]CC(=O)N[C@H]1CCCN(C)C1=O ZINC000430378707 192869656 /nfs/dbraw/zinc/86/96/56/192869656.db2.gz RNVUXSZWOXYSQR-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO COC[C@@H]1CN(C(=O)COC2C[NH2+]C2)CCO1 ZINC000430400840 387615654 /nfs/dbraw/zinc/61/56/54/387615654.db2.gz AIFVOGDGQGENIK-JTQLQIEISA-N 1 0 244.291 -1.151 20 0 BAADRO COC[C@H]1CN(C(=O)COC2C[NH2+]C2)CCO1 ZINC000430400842 387615671 /nfs/dbraw/zinc/61/56/71/387615671.db2.gz AIFVOGDGQGENIK-SNVBAGLBSA-N 1 0 244.291 -1.151 20 0 BAADRO CN1CCC[C@@H](NC(=O)COC2C[NH2+]C2)C1=O ZINC000430424569 387617765 /nfs/dbraw/zinc/61/77/65/387617765.db2.gz MHUHXXWEBPBPHB-SECBINFHSA-N 1 0 241.291 -1.288 20 0 BAADRO CN1CCC[C@H](NC(=O)COC2C[NH2+]C2)C1=O ZINC000430424570 192871341 /nfs/dbraw/zinc/87/13/41/192871341.db2.gz MHUHXXWEBPBPHB-VIFPVBQESA-N 1 0 241.291 -1.288 20 0 BAADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C[NH2+]C ZINC000430427284 387617526 /nfs/dbraw/zinc/61/75/26/387617526.db2.gz DXTSIEXFYITDCQ-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C[NH2+]C ZINC000430427286 387616782 /nfs/dbraw/zinc/61/67/82/387616782.db2.gz DXTSIEXFYITDCQ-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO CN1CC[C@@H](NC(=O)COC2C[NH2+]C2)C1=O ZINC000430515079 387622178 /nfs/dbraw/zinc/62/21/78/387622178.db2.gz DYJUGAACMVVBIE-MRVPVSSYSA-N 1 0 227.264 -1.678 20 0 BAADRO CN1CC[C@H](NC(=O)COC2C[NH2+]C2)C1=O ZINC000430515080 387621978 /nfs/dbraw/zinc/62/19/78/387621978.db2.gz DYJUGAACMVVBIE-QMMMGPOBSA-N 1 0 227.264 -1.678 20 0 BAADRO CN1C[C@H](NC(=O)COC2C[NH2+]C2)CCC1=O ZINC000430522028 385774058 /nfs/dbraw/zinc/77/40/58/385774058.db2.gz UNRIFTZSYMUFDQ-MRVPVSSYSA-N 1 0 241.291 -1.288 20 0 BAADRO CN1C[C@@H](NC(=O)COC2C[NH2+]C2)CCC1=O ZINC000430522029 385775964 /nfs/dbraw/zinc/77/59/64/385775964.db2.gz UNRIFTZSYMUFDQ-QMMMGPOBSA-N 1 0 241.291 -1.288 20 0 BAADRO [NH3+]C[C@H]1CCCN1CC(=O)N1CCNC(=O)C1 ZINC000430549364 387627680 /nfs/dbraw/zinc/62/76/80/387627680.db2.gz XJULNUQIWPCMNC-SECBINFHSA-N 1 0 240.307 -1.632 20 0 BAADRO [NH3+]C[C@@H]1CCCN1CC(=O)N1CCNC(=O)C1 ZINC000430549367 387628104 /nfs/dbraw/zinc/62/81/04/387628104.db2.gz XJULNUQIWPCMNC-VIFPVBQESA-N 1 0 240.307 -1.632 20 0 BAADRO C[NH2+][C@@H]1CCN(CC(=O)N2CCNC(=O)C2)C1 ZINC000430596422 387629849 /nfs/dbraw/zinc/62/98/49/387629849.db2.gz WYFMTGUKEARIKP-SECBINFHSA-N 1 0 240.307 -1.762 20 0 BAADRO C[NH2+][C@H]1CCN(CC(=O)N2CCNC(=O)C2)C1 ZINC000430596423 192880695 /nfs/dbraw/zinc/88/06/95/192880695.db2.gz WYFMTGUKEARIKP-VIFPVBQESA-N 1 0 240.307 -1.762 20 0 BAADRO [NH3+][C@@H]1CCN(CC(=O)N2CCNC(=O)C2)C1 ZINC000430617009 387633474 /nfs/dbraw/zinc/63/34/74/387633474.db2.gz JGJQRNAEJSBPBA-MRVPVSSYSA-N 1 0 226.280 -2.022 20 0 BAADRO [NH3+][C@H]1CCN(CC(=O)N2CCNC(=O)C2)C1 ZINC000430625408 387634929 /nfs/dbraw/zinc/63/49/29/387634929.db2.gz JGJQRNAEJSBPBA-QMMMGPOBSA-N 1 0 226.280 -2.022 20 0 BAADRO C[C@H](NC(=O)CN1CC[C@@H]([NH3+])C1)C(=O)N(C)C ZINC000430625424 386248947 /nfs/dbraw/zinc/24/89/47/386248947.db2.gz KOYVBELBCFQYJD-DTWKUNHWSA-N 1 0 242.323 -1.388 20 0 BAADRO C[C@@H](NC(=O)CN1CC[C@@H]([NH3+])C1)C(=O)N(C)C ZINC000430625429 386249011 /nfs/dbraw/zinc/24/90/11/386249011.db2.gz KOYVBELBCFQYJD-RKDXNWHRSA-N 1 0 242.323 -1.388 20 0 BAADRO [NH3+]CC(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000430735931 387646496 /nfs/dbraw/zinc/64/64/96/387646496.db2.gz BCUHEFBVWCHOCI-UHFFFAOYSA-N 1 0 249.274 -1.085 20 0 BAADRO [NH3+]CCC(=O)NCCNc1cnccn1 ZINC000430759335 411285791 /nfs/dbraw/zinc/28/57/91/411285791.db2.gz FZLSIHBLOYTSTP-UHFFFAOYSA-N 1 0 209.253 -0.647 20 0 BAADRO CN1CCN(C(=O)CCNC(=O)CC[NH3+])CC1 ZINC000430759801 398230973 /nfs/dbraw/zinc/23/09/73/398230973.db2.gz GFGKBZANRDQYBT-UHFFFAOYSA-N 1 0 242.323 -1.385 20 0 BAADRO C[NH2+]CC(=O)NCCC(=O)N1CCN(C)CC1 ZINC000430762720 398231319 /nfs/dbraw/zinc/23/13/19/398231319.db2.gz MFAKXLHOJUHUQZ-UHFFFAOYSA-N 1 0 242.323 -1.514 20 0 BAADRO C[NH2+]CC(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000430796815 387650944 /nfs/dbraw/zinc/65/09/44/387650944.db2.gz BNPLHZUDLYTVDI-UHFFFAOYSA-N 1 0 242.323 -1.386 20 0 BAADRO CN(C)C(=O)CCN1CCN(C(=O)C[NH3+])CC1 ZINC000430800300 387654931 /nfs/dbraw/zinc/65/49/31/387654931.db2.gz QOAPVMSIFJBUKE-UHFFFAOYSA-N 1 0 242.323 -1.432 20 0 BAADRO CC(C)(C(N)=O)N1CCN(C(=O)C[NH3+])CC1 ZINC000430801544 387654886 /nfs/dbraw/zinc/65/48/86/387654886.db2.gz DHUAATZUKNBSJL-UHFFFAOYSA-N 1 0 228.296 -1.647 20 0 BAADRO CC(C)(C(N)=O)N1CCN(C(=O)CC[NH3+])CC1 ZINC000430810429 387653396 /nfs/dbraw/zinc/65/33/96/387653396.db2.gz UWJCTGOFEGAIJR-UHFFFAOYSA-N 1 0 242.323 -1.257 20 0 BAADRO O=C(COC1C[NH2+]C1)NCCn1ccnc1 ZINC000430829713 387654994 /nfs/dbraw/zinc/65/49/94/387654994.db2.gz HGBKLUSBIWMRDP-UHFFFAOYSA-N 1 0 224.264 -1.012 20 0 BAADRO O=C(COC1C[NH2+]C1)NCCN1CCOCC1 ZINC000430838088 398231795 /nfs/dbraw/zinc/23/17/95/398231795.db2.gz LVZKFZDRRQMZHB-UHFFFAOYSA-N 1 0 243.307 -1.577 20 0 BAADRO [NH3+]CC(=O)NCCC(=O)Nc1ccncc1 ZINC000430872510 387657285 /nfs/dbraw/zinc/65/72/85/387657285.db2.gz JPCJJECIAIRQQO-UHFFFAOYSA-N 1 0 222.248 -1.093 20 0 BAADRO C[C@@H](NC(=O)CN1CC[C@H]([NH3+])C1)C(=O)N(C)C ZINC000430919336 387660810 /nfs/dbraw/zinc/66/08/10/387660810.db2.gz KOYVBELBCFQYJD-BDAKNGLRSA-N 1 0 242.323 -1.388 20 0 BAADRO C[C@H](NC(=O)CN1CC[C@H]([NH3+])C1)C(=O)N(C)C ZINC000430919337 387660052 /nfs/dbraw/zinc/66/00/52/387660052.db2.gz KOYVBELBCFQYJD-IUCAKERBSA-N 1 0 242.323 -1.388 20 0 BAADRO C[C@@H]1CN(CC(=O)N2CCNC(=O)C2)CC[NH2+]1 ZINC000430943943 201158774 /nfs/dbraw/zinc/15/87/74/201158774.db2.gz RCIZMIBBHKQFAE-SECBINFHSA-N 1 0 240.307 -1.762 20 0 BAADRO C[C@H]1CN(CC(=O)N2CCNC(=O)C2)CC[NH2+]1 ZINC000430943944 201159693 /nfs/dbraw/zinc/15/96/93/201159693.db2.gz RCIZMIBBHKQFAE-VIFPVBQESA-N 1 0 240.307 -1.762 20 0 BAADRO C[C@H](C[NH3+])N(C)CC(=O)N1CCNC(=O)C1 ZINC000430964089 387666373 /nfs/dbraw/zinc/66/63/73/387666373.db2.gz XQTJSVYBKLBPLC-MRVPVSSYSA-N 1 0 228.296 -1.776 20 0 BAADRO C[C@@H](C[NH3+])N(C)CC(=O)N1CCNC(=O)C1 ZINC000430964090 387666081 /nfs/dbraw/zinc/66/60/81/387666081.db2.gz XQTJSVYBKLBPLC-QMMMGPOBSA-N 1 0 228.296 -1.776 20 0 BAADRO C[C@H](C[NH3+])N(C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000430964256 201159742 /nfs/dbraw/zinc/15/97/42/201159742.db2.gz YHUBKPDIZJDWBZ-BDAKNGLRSA-N 1 0 244.339 -1.142 20 0 BAADRO C[C@@H](NC(=O)CN(C)[C@@H](C)C[NH3+])C(=O)N(C)C ZINC000430964257 201159089 /nfs/dbraw/zinc/15/90/89/201159089.db2.gz YHUBKPDIZJDWBZ-DTWKUNHWSA-N 1 0 244.339 -1.142 20 0 BAADRO C[C@@H](C[NH3+])N(C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000430964258 201159944 /nfs/dbraw/zinc/15/99/44/201159944.db2.gz YHUBKPDIZJDWBZ-IUCAKERBSA-N 1 0 244.339 -1.142 20 0 BAADRO C[C@H](C[NH3+])N(C)CC(=O)N[C@H](C)C(=O)N(C)C ZINC000430964259 201158645 /nfs/dbraw/zinc/15/86/45/201158645.db2.gz YHUBKPDIZJDWBZ-RKDXNWHRSA-N 1 0 244.339 -1.142 20 0 BAADRO CNC(=O)NC(=O)C[NH2+][C@@](C)(CCO)COC ZINC000430992976 387668581 /nfs/dbraw/zinc/66/85/81/387668581.db2.gz LQCKGFJLWXZEMA-JTQLQIEISA-N 1 0 247.295 -1.181 20 0 BAADRO CNC(=O)NC(=O)C[NH2+][C@](C)(CCO)COC ZINC000430992977 387667631 /nfs/dbraw/zinc/66/76/31/387667631.db2.gz LQCKGFJLWXZEMA-SNVBAGLBSA-N 1 0 247.295 -1.181 20 0 BAADRO Nc1nsc(N2CCN(C(=O)C[NH3+])CC2)n1 ZINC000431014321 411976153 /nfs/dbraw/zinc/97/61/53/411976153.db2.gz IYECQHQHVZBCTQ-UHFFFAOYSA-N 1 0 242.308 -1.272 20 0 BAADRO C[C@H](CNC(=O)CN1CCNCC1=O)[NH+](C)C ZINC000431061097 387676357 /nfs/dbraw/zinc/67/63/57/387676357.db2.gz URMLLESGYHAEPS-SECBINFHSA-N 1 0 242.323 -1.516 20 0 BAADRO C[C@@H](CNC(=O)CN1CCNCC1=O)[NH+](C)C ZINC000431061101 387676294 /nfs/dbraw/zinc/67/62/94/387676294.db2.gz URMLLESGYHAEPS-VIFPVBQESA-N 1 0 242.323 -1.516 20 0 BAADRO CC[C@@H](NC(=O)[C@H]1C[C@H](O)C[NH2+]1)C(=O)OC ZINC000432533835 387800000 /nfs/dbraw/zinc/80/00/00/387800000.db2.gz AHUMTKAUXTXXLR-XLPZGREQSA-N 1 0 230.264 -1.223 20 0 BAADRO C[C@H]1CN(C)CCN1C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000432538575 387800087 /nfs/dbraw/zinc/80/00/87/387800087.db2.gz NNPQCFJTQMPPGU-LPEHRKFASA-N 1 0 227.308 -1.128 20 0 BAADRO CC(C)[N@H+](C)CC(=O)NCCOCC(N)=O ZINC000433039220 387855312 /nfs/dbraw/zinc/85/53/12/387855312.db2.gz MXNXMUANOGGWFS-UHFFFAOYSA-N 1 0 231.296 -1.055 20 0 BAADRO CCC[N@H+](C)CC(=O)NCCOCC(N)=O ZINC000433047258 397916961 /nfs/dbraw/zinc/91/69/61/397916961.db2.gz WPESDOQLTCUVDL-UHFFFAOYSA-N 1 0 231.296 -1.054 20 0 BAADRO CC(C)[C@@H](C[NH3+])C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000433127334 387867423 /nfs/dbraw/zinc/86/74/23/387867423.db2.gz RUTGCLUYFGLFOY-BDAKNGLRSA-N 1 0 243.307 -1.070 20 0 BAADRO CC(C)[C@H](C[NH3+])C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000433127335 387868063 /nfs/dbraw/zinc/86/80/63/387868063.db2.gz RUTGCLUYFGLFOY-DTWKUNHWSA-N 1 0 243.307 -1.070 20 0 BAADRO CC(C)[C@H](C[NH3+])C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000433127336 387867068 /nfs/dbraw/zinc/86/70/68/387867068.db2.gz RUTGCLUYFGLFOY-IUCAKERBSA-N 1 0 243.307 -1.070 20 0 BAADRO CC(C)[C@@H](C[NH3+])C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000433127338 192985043 /nfs/dbraw/zinc/98/50/43/192985043.db2.gz RUTGCLUYFGLFOY-RKDXNWHRSA-N 1 0 243.307 -1.070 20 0 BAADRO CC(C)[C@@H](C[NH3+])C(=O)NCCC(=O)NC(N)=O ZINC000433171654 201164527 /nfs/dbraw/zinc/16/45/27/201164527.db2.gz FLDZODLENRWGDK-SSDOTTSWSA-N 1 0 244.295 -1.082 20 0 BAADRO CC(C)[C@H](C[NH3+])C(=O)NCCC(=O)NC(N)=O ZINC000433171655 201164179 /nfs/dbraw/zinc/16/41/79/201164179.db2.gz FLDZODLENRWGDK-ZETCQYMHSA-N 1 0 244.295 -1.082 20 0 BAADRO NC(=O)CC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000434449538 201219805 /nfs/dbraw/zinc/21/98/05/201219805.db2.gz DLJODIUSNXBIRQ-SECBINFHSA-N 1 0 243.307 -1.175 20 0 BAADRO NC(=O)CC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000434449539 201219128 /nfs/dbraw/zinc/21/91/28/201219128.db2.gz DLJODIUSNXBIRQ-VIFPVBQESA-N 1 0 243.307 -1.175 20 0 BAADRO CNS(=O)(=O)CC(=O)NC[C@@H](C)[NH+](C)C ZINC000435224902 201254204 /nfs/dbraw/zinc/25/42/04/201254204.db2.gz ZVVFCXCZYQWZDO-SSDOTTSWSA-N 1 0 237.325 -1.398 20 0 BAADRO CNS(=O)(=O)CC(=O)NC[C@H](C)[NH+](C)C ZINC000435224903 201255061 /nfs/dbraw/zinc/25/50/61/201255061.db2.gz ZVVFCXCZYQWZDO-ZETCQYMHSA-N 1 0 237.325 -1.398 20 0 BAADRO CNS(=O)(=O)CC(=O)NCC[NH+]1CCCC1 ZINC000435234883 201257862 /nfs/dbraw/zinc/25/78/62/201257862.db2.gz KAPRBKWHLTTYTJ-UHFFFAOYSA-N 1 0 249.336 -1.252 20 0 BAADRO CC[N@H+](C)CCNC(=O)CS(=O)(=O)NC ZINC000435369621 201264560 /nfs/dbraw/zinc/26/45/60/201264560.db2.gz FQRPIJHNQLMKEK-UHFFFAOYSA-N 1 0 237.325 -1.397 20 0 BAADRO CNS(=O)(=O)CC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000435370202 201264897 /nfs/dbraw/zinc/26/48/97/201264897.db2.gz HVACFLVRLZMYPH-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO CNS(=O)(=O)CC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000435370203 201264843 /nfs/dbraw/zinc/26/48/43/201264843.db2.gz HVACFLVRLZMYPH-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO C[C@@H](O)CCN1CCO[C@@H](C(N)=O)C1 ZINC000438986265 387972089 /nfs/dbraw/zinc/97/20/89/387972089.db2.gz QJWIGMXGBKCSKU-HTQZYQBOSA-N 1 0 202.254 -1.057 20 0 BAADRO C[C@H](O)CCN1CCO[C@@H](C(N)=O)C1 ZINC000438986266 387971027 /nfs/dbraw/zinc/97/10/27/387971027.db2.gz QJWIGMXGBKCSKU-JGVFFNPUSA-N 1 0 202.254 -1.057 20 0 BAADRO C[C@@H](O)CCN1CCO[C@H](C(N)=O)C1 ZINC000438986267 387972034 /nfs/dbraw/zinc/97/20/34/387972034.db2.gz QJWIGMXGBKCSKU-SFYZADRCSA-N 1 0 202.254 -1.057 20 0 BAADRO C[C@H](O)CCN1CCO[C@H](C(N)=O)C1 ZINC000438986268 387972154 /nfs/dbraw/zinc/97/21/54/387972154.db2.gz QJWIGMXGBKCSKU-YUMQZZPRSA-N 1 0 202.254 -1.057 20 0 BAADRO Cn1nncc1S(=O)(=O)NCC[NH+](C)C ZINC000440055970 388031111 /nfs/dbraw/zinc/03/11/11/388031111.db2.gz XCSUFHASWTUMPD-UHFFFAOYSA-N 1 0 233.297 -1.345 20 0 BAADRO CNS(=O)(=O)CCNC(=O)C[NH+](C)C ZINC000440183284 388035986 /nfs/dbraw/zinc/03/59/86/388035986.db2.gz FMIJZOKGPZXOME-UHFFFAOYSA-N 1 0 223.298 -1.787 20 0 BAADRO COCCn1cc(S(=O)(=O)NCC[NH3+])cn1 ZINC000440361546 388040795 /nfs/dbraw/zinc/04/07/95/388040795.db2.gz UTHAFMHMOBBPDN-UHFFFAOYSA-N 1 0 248.308 -1.234 20 0 BAADRO C[NH2+]CC(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000440565867 388054127 /nfs/dbraw/zinc/05/41/27/388054127.db2.gz POIHJZRFCHYWHB-BDAKNGLRSA-N 1 0 243.307 -1.042 20 0 BAADRO C[NH2+]CC(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000440565868 388054662 /nfs/dbraw/zinc/05/46/62/388054662.db2.gz POIHJZRFCHYWHB-DTWKUNHWSA-N 1 0 243.307 -1.042 20 0 BAADRO C[NH2+]CC(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000440565869 388054545 /nfs/dbraw/zinc/05/45/45/388054545.db2.gz POIHJZRFCHYWHB-IUCAKERBSA-N 1 0 243.307 -1.042 20 0 BAADRO C[NH2+]CC(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000440565870 388054963 /nfs/dbraw/zinc/05/49/63/388054963.db2.gz POIHJZRFCHYWHB-RKDXNWHRSA-N 1 0 243.307 -1.042 20 0 BAADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C[NH2+]C)C1 ZINC000440567054 388054847 /nfs/dbraw/zinc/05/48/47/388054847.db2.gz SZFQDGBHZPISTD-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C[NH2+]C)C1 ZINC000440567061 388054789 /nfs/dbraw/zinc/05/47/89/388054789.db2.gz SZFQDGBHZPISTD-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO COC(=O)CNC(=O)CC[N@H+](C)CCCO ZINC000440947345 387715500 /nfs/dbraw/zinc/71/55/00/387715500.db2.gz YEQTTYJTGRJNPH-UHFFFAOYSA-N 1 0 232.280 -1.020 20 0 BAADRO COC(=O)CNC(=O)[C@@H](C)[N@H+](C)CCCO ZINC000440952728 387717584 /nfs/dbraw/zinc/71/75/84/387717584.db2.gz UUNWDXSAPFZUDO-MRVPVSSYSA-N 1 0 232.280 -1.022 20 0 BAADRO COC(=O)CNC(=O)[C@H](C)[N@H+](C)CCCO ZINC000440952729 387716483 /nfs/dbraw/zinc/71/64/83/387716483.db2.gz UUNWDXSAPFZUDO-QMMMGPOBSA-N 1 0 232.280 -1.022 20 0 BAADRO COC(=O)CCNC(=O)C[N@H+](C)CCCO ZINC000440962396 386305906 /nfs/dbraw/zinc/30/59/06/386305906.db2.gz OTRDMTVYVGZXPY-UHFFFAOYSA-N 1 0 232.280 -1.020 20 0 BAADRO CC[N@H+](CCCS(N)(=O)=O)[C@@H]1CCNC1=O ZINC000440963697 387718698 /nfs/dbraw/zinc/71/86/98/387718698.db2.gz MXDKEMSBIIJHBK-MRVPVSSYSA-N 1 0 249.336 -1.125 20 0 BAADRO CC[N@H+](CCCS(N)(=O)=O)[C@H]1CCNC1=O ZINC000440963709 387720555 /nfs/dbraw/zinc/72/05/55/387720555.db2.gz MXDKEMSBIIJHBK-QMMMGPOBSA-N 1 0 249.336 -1.125 20 0 BAADRO CN(CCCO)CC(O)C[N@H+](C)CCCO ZINC000440964201 387720214 /nfs/dbraw/zinc/72/02/14/387720214.db2.gz RBSIAGOVUYKAIF-UHFFFAOYSA-N 1 0 234.340 -1.024 20 0 BAADRO COC(=O)CNC(=O)C[N@H+](C)CCCO ZINC000440971366 387720309 /nfs/dbraw/zinc/72/03/09/387720309.db2.gz YXIDYLSZAJGSCS-UHFFFAOYSA-N 1 0 218.253 -1.410 20 0 BAADRO COC(=O)CNC(=O)CC[NH+](CCO)CCO ZINC000441496335 387765412 /nfs/dbraw/zinc/76/54/12/387765412.db2.gz DKVLATOUXABODY-UHFFFAOYSA-N 1 0 248.279 -2.048 20 0 BAADRO C[C@H](C[NH3+])CNC(=O)CN1CCCS1(=O)=O ZINC000441606063 387771059 /nfs/dbraw/zinc/77/10/59/387771059.db2.gz YJWBSTSUGIHWBA-MRVPVSSYSA-N 1 0 249.336 -1.267 20 0 BAADRO C[C@@H](C[NH3+])CNC(=O)CN1CCCS1(=O)=O ZINC000441606064 387770748 /nfs/dbraw/zinc/77/07/48/387770748.db2.gz YJWBSTSUGIHWBA-QMMMGPOBSA-N 1 0 249.336 -1.267 20 0 BAADRO C[C@H](C[NH3+])CNC(=O)CN1C(=O)CN(C)C1=O ZINC000441613186 387773272 /nfs/dbraw/zinc/77/32/72/387773272.db2.gz TUMWOZSDBQDEOK-SSDOTTSWSA-N 1 0 242.279 -1.409 20 0 BAADRO C[C@@H](C[NH3+])CNC(=O)CN1C(=O)CN(C)C1=O ZINC000441613194 387772789 /nfs/dbraw/zinc/77/27/89/387772789.db2.gz TUMWOZSDBQDEOK-ZETCQYMHSA-N 1 0 242.279 -1.409 20 0 BAADRO CC[N@H+](CCCO)CC(=O)NCC(=O)OC ZINC000441624445 387772252 /nfs/dbraw/zinc/77/22/52/387772252.db2.gz WLHUSAJCTLRLLB-UHFFFAOYSA-N 1 0 232.280 -1.020 20 0 BAADRO C[C@@H]([NH3+])CN(CCO)CCN1CCOCC1 ZINC000442667381 488130578 /nfs/dbraw/zinc/13/05/78/488130578.db2.gz ZKXWHVJNSHBFIM-LLVKDONJSA-N 1 0 231.340 -1.040 20 0 BAADRO C[C@H]([NH3+])CN(CCO)CCN1CCOCC1 ZINC000442667384 487889865 /nfs/dbraw/zinc/88/98/65/487889865.db2.gz ZKXWHVJNSHBFIM-NSHDSACASA-N 1 0 231.340 -1.040 20 0 BAADRO CC[N@H+](CC(=O)NCC(=O)NCCO)C1CC1 ZINC000442708721 386516958 /nfs/dbraw/zinc/51/69/58/386516958.db2.gz KYHQNNXWNTVXFW-UHFFFAOYSA-N 1 0 243.307 -1.305 20 0 BAADRO COC(=O)[C@H](NC(=O)C[NH+](C)C)[C@@H](C)O ZINC000442810434 387846629 /nfs/dbraw/zinc/84/66/29/387846629.db2.gz NIBQCEVVKYSPEP-HTRCEHHLSA-N 1 0 218.253 -1.413 20 0 BAADRO COC(=O)[C@H](NC(=O)C[NH+](C)C)[C@H](C)O ZINC000442810439 387846230 /nfs/dbraw/zinc/84/62/30/387846230.db2.gz NIBQCEVVKYSPEP-POYBYMJQSA-N 1 0 218.253 -1.413 20 0 BAADRO COC(=O)[C@@H](NC(=O)C[NH+](C)C)[C@@H](C)O ZINC000442810440 387846679 /nfs/dbraw/zinc/84/66/79/387846679.db2.gz NIBQCEVVKYSPEP-SVRRBLITSA-N 1 0 218.253 -1.413 20 0 BAADRO COC(=O)[C@@H](NC(=O)C[NH+](C)C)[C@H](C)O ZINC000442810443 387846729 /nfs/dbraw/zinc/84/67/29/387846729.db2.gz NIBQCEVVKYSPEP-XPUUQOCRSA-N 1 0 218.253 -1.413 20 0 BAADRO CN(C)CC(=O)N[C@H]1CN(C)NC1=O ZINC000442814528 387846708 /nfs/dbraw/zinc/84/67/08/387846708.db2.gz VGSCLCZTLMUTPM-LURJTMIESA-N 1 0 200.242 -1.991 20 0 BAADRO CN(C)CC(=O)N[C@@H]1CN(C)NC1=O ZINC000442814532 387846122 /nfs/dbraw/zinc/84/61/22/387846122.db2.gz VGSCLCZTLMUTPM-ZCFIWIBFSA-N 1 0 200.242 -1.991 20 0 BAADRO C[C@@H](O)C[N@H+](CCC(=O)NC(N)=O)[C@H](C)CO ZINC000443335926 193016856 /nfs/dbraw/zinc/01/68/56/193016856.db2.gz QEFCFGBNLVIFLL-HTQZYQBOSA-N 1 0 247.295 -1.365 20 0 BAADRO C[C@@H](O)C[N@H+](CCC(=O)NC(N)=O)[C@@H](C)CO ZINC000443335929 193017730 /nfs/dbraw/zinc/01/77/30/193017730.db2.gz QEFCFGBNLVIFLL-JGVFFNPUSA-N 1 0 247.295 -1.365 20 0 BAADRO C[C@H](CO)[N@@H+](CCC(=O)NC(N)=O)C[C@H](C)O ZINC000443335931 193016878 /nfs/dbraw/zinc/01/68/78/193016878.db2.gz QEFCFGBNLVIFLL-SFYZADRCSA-N 1 0 247.295 -1.365 20 0 BAADRO C[C@H](O)C[N@H+](CCC(=O)NC(N)=O)[C@@H](C)CO ZINC000443335932 193017737 /nfs/dbraw/zinc/01/77/37/193017737.db2.gz QEFCFGBNLVIFLL-YUMQZZPRSA-N 1 0 247.295 -1.365 20 0 BAADRO CNC(=O)NC(=O)C[N@H+](C[C@@H](C)O)[C@H](C)CO ZINC000443338993 193017231 /nfs/dbraw/zinc/01/72/31/193017231.db2.gz BPTATEUDQFGDMA-HTQZYQBOSA-N 1 0 247.295 -1.494 20 0 BAADRO CNC(=O)NC(=O)C[N@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000443338994 193018157 /nfs/dbraw/zinc/01/81/57/193018157.db2.gz BPTATEUDQFGDMA-JGVFFNPUSA-N 1 0 247.295 -1.494 20 0 BAADRO CNC(=O)NC(=O)C[N@H+](C[C@H](C)O)[C@H](C)CO ZINC000443338995 193016781 /nfs/dbraw/zinc/01/67/81/193016781.db2.gz BPTATEUDQFGDMA-SFYZADRCSA-N 1 0 247.295 -1.494 20 0 BAADRO CNC(=O)NC(=O)C[N@H+](C[C@H](C)O)[C@@H](C)CO ZINC000443338996 193016833 /nfs/dbraw/zinc/01/68/33/193016833.db2.gz BPTATEUDQFGDMA-YUMQZZPRSA-N 1 0 247.295 -1.494 20 0 BAADRO COC(=O)C[C@@H](NC(=O)[C@H]1CC[NH2+]1)C(=O)OC ZINC000444120746 193035058 /nfs/dbraw/zinc/03/50/58/193035058.db2.gz WZFUXQOZSXOOHI-RNFRBKRXSA-N 1 0 244.247 -1.431 20 0 BAADRO COC(=O)C[C@H](NC(=O)[C@H]1CC[NH2+]1)C(=O)OC ZINC000444120747 193035113 /nfs/dbraw/zinc/03/51/13/193035113.db2.gz WZFUXQOZSXOOHI-RQJHMYQMSA-N 1 0 244.247 -1.431 20 0 BAADRO COC(=O)Cn1ccc(NC(=O)[C@H]2CC[NH2+]2)n1 ZINC000444146389 412333617 /nfs/dbraw/zinc/33/36/17/412333617.db2.gz ZVBVMWROYMKXJJ-SSDOTTSWSA-N 1 0 238.247 -0.644 20 0 BAADRO CN(CC(=O)N1CCOCC1)C(=O)[C@H]1CC[NH2+]1 ZINC000444149394 193036881 /nfs/dbraw/zinc/03/68/81/193036881.db2.gz FMIFYIQMLYIJIG-SECBINFHSA-N 1 0 241.291 -1.335 20 0 BAADRO CCS(=O)(=O)NCCCNC(=O)[C@H]1CC[NH2+]1 ZINC000444149675 193037674 /nfs/dbraw/zinc/03/76/74/193037674.db2.gz GESKUYSZJBGVMG-MRVPVSSYSA-N 1 0 249.336 -1.206 20 0 BAADRO O=C(NCCNC(=O)[C@H]1CC[NH2+]1)c1cnccn1 ZINC000444159412 193038410 /nfs/dbraw/zinc/03/84/10/193038410.db2.gz MEEHFOQDPBIXTM-MRVPVSSYSA-N 1 0 249.274 -1.316 20 0 BAADRO CC(C)NS(=O)(=O)CCNC(=O)[C@H]1CC[NH2+]1 ZINC000444162194 193038757 /nfs/dbraw/zinc/03/87/57/193038757.db2.gz SCLAXAJIODWXDC-MRVPVSSYSA-N 1 0 249.336 -1.208 20 0 BAADRO O=C(NCCNc1cnccn1)[C@H]1CC[NH2+]1 ZINC000444162770 487761746 /nfs/dbraw/zinc/76/17/46/487761746.db2.gz BOWZGUUKZCLCLI-MRVPVSSYSA-N 1 0 221.264 -0.633 20 0 BAADRO COC(=O)[C@@]1(NC(=O)[C@H]2CC[NH2+]2)CCOC1 ZINC000444190001 384687922 /nfs/dbraw/zinc/68/79/22/384687922.db2.gz HHGZULHBBZVFTG-GMSGAONNSA-N 1 0 228.248 -1.203 20 0 BAADRO COC(=O)[C@]1(NC(=O)[C@H]2CC[NH2+]2)CCOC1 ZINC000444190002 200706697 /nfs/dbraw/zinc/70/66/97/200706697.db2.gz HHGZULHBBZVFTG-XCBNKYQSSA-N 1 0 228.248 -1.203 20 0 BAADRO CNS(=O)(=O)CC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444261124 193043295 /nfs/dbraw/zinc/04/32/95/193043295.db2.gz VWVLVQQZJZOREW-MRVPVSSYSA-N 1 0 249.336 -1.206 20 0 BAADRO CN(C)C(=O)CNC(=O)C(=O)NCC[NH+](C)C ZINC000446051214 387988608 /nfs/dbraw/zinc/98/86/08/387988608.db2.gz FFPJYWBEEDDYKT-UHFFFAOYSA-N 1 0 244.295 -2.131 20 0 BAADRO COCCC[N@H+](CCO)CCC(=O)NC(N)=O ZINC000446067868 387991870 /nfs/dbraw/zinc/99/18/70/387991870.db2.gz PXHUQNJBPPBNRQ-UHFFFAOYSA-N 1 0 247.295 -1.098 20 0 BAADRO CNC(=O)NC(=O)C[N@H+](CCO)CCCOC ZINC000446068224 387991993 /nfs/dbraw/zinc/99/19/93/387991993.db2.gz QSMGYVWRPXSQNV-UHFFFAOYSA-N 1 0 247.295 -1.227 20 0 BAADRO COCCC[N@H+](CCO)CC(=O)NC(N)=O ZINC000446069936 348230507 /nfs/dbraw/zinc/23/05/07/348230507.db2.gz LTKVYJYHGLFOBS-UHFFFAOYSA-N 1 0 233.268 -1.488 20 0 BAADRO COCCNC(=O)CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000446196902 388006824 /nfs/dbraw/zinc/00/68/24/388006824.db2.gz QQPOPIDYOSTCMG-JGVFFNPUSA-N 1 0 247.270 -1.435 20 0 BAADRO O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCO[C@@H](CO)C1 ZINC000446315339 388013150 /nfs/dbraw/zinc/01/31/50/388013150.db2.gz IONGDLOKLNIROF-DJLDLDEBSA-N 1 0 232.255 -1.094 20 0 BAADRO O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCO[C@H](CO)C1 ZINC000446315340 388012462 /nfs/dbraw/zinc/01/24/62/388012462.db2.gz IONGDLOKLNIROF-XHNCKOQMSA-N 1 0 232.255 -1.094 20 0 BAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000446409188 398206037 /nfs/dbraw/zinc/20/60/37/398206037.db2.gz RWYHDEXRMZQEDO-HTQZYQBOSA-N 1 0 249.336 -1.078 20 0 BAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000446409189 398205963 /nfs/dbraw/zinc/20/59/63/398205963.db2.gz RWYHDEXRMZQEDO-JGVFFNPUSA-N 1 0 249.336 -1.078 20 0 BAADRO CNS(=O)(=O)CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000446409190 398206130 /nfs/dbraw/zinc/20/61/30/398206130.db2.gz RWYHDEXRMZQEDO-SFYZADRCSA-N 1 0 249.336 -1.078 20 0 BAADRO CNS(=O)(=O)CC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000446409191 398206011 /nfs/dbraw/zinc/20/60/11/398206011.db2.gz RWYHDEXRMZQEDO-YUMQZZPRSA-N 1 0 249.336 -1.078 20 0 BAADRO COCC(=O)N(C)CC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000446436418 388020167 /nfs/dbraw/zinc/02/01/67/388020167.db2.gz QVBDFTRKSIVIBX-VIFPVBQESA-N 1 0 243.307 -1.089 20 0 BAADRO COCC[C@]1([NH2+]CC(=O)NC(N)=O)CCOC1 ZINC000447387050 388066761 /nfs/dbraw/zinc/06/67/61/388066761.db2.gz SNSYECGKIXRYJA-JTQLQIEISA-N 1 0 245.279 -1.034 20 0 BAADRO COCC[C@@]1([NH2+]CC(=O)NC(N)=O)CCOC1 ZINC000447387051 388066933 /nfs/dbraw/zinc/06/69/33/388066933.db2.gz SNSYECGKIXRYJA-SNVBAGLBSA-N 1 0 245.279 -1.034 20 0 BAADRO CNC(=O)NC(=O)C[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000447917094 388103297 /nfs/dbraw/zinc/10/32/97/388103297.db2.gz WRXUMIKSYCDXNX-HTQZYQBOSA-N 1 0 245.279 -1.429 20 0 BAADRO CNC(=O)NC(=O)C[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000447917097 388103122 /nfs/dbraw/zinc/10/31/22/388103122.db2.gz WRXUMIKSYCDXNX-JGVFFNPUSA-N 1 0 245.279 -1.429 20 0 BAADRO CNC(=O)NC(=O)C[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000447917099 388103459 /nfs/dbraw/zinc/10/34/59/388103459.db2.gz WRXUMIKSYCDXNX-SFYZADRCSA-N 1 0 245.279 -1.429 20 0 BAADRO CNC(=O)NC(=O)C[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000447917100 388103393 /nfs/dbraw/zinc/10/33/93/388103393.db2.gz WRXUMIKSYCDXNX-YUMQZZPRSA-N 1 0 245.279 -1.429 20 0 BAADRO CCC[N@H+](C)CC(=O)NCC(=O)NCCO ZINC000448265814 385237374 /nfs/dbraw/zinc/23/73/74/385237374.db2.gz BFVZCROMNYKUIC-UHFFFAOYSA-N 1 0 231.296 -1.447 20 0 BAADRO CC[C@H](C(=O)NCC(=O)NCCO)[NH+](C)C ZINC000448269246 385244985 /nfs/dbraw/zinc/24/49/85/385244985.db2.gz ZUDCOJXIJVVMEH-MRVPVSSYSA-N 1 0 231.296 -1.449 20 0 BAADRO CC[C@@H](C(=O)NCC(=O)NCCO)[NH+](C)C ZINC000448269247 385243461 /nfs/dbraw/zinc/24/34/61/385243461.db2.gz ZUDCOJXIJVVMEH-QMMMGPOBSA-N 1 0 231.296 -1.449 20 0 BAADRO CN(C(=O)CN1CCNCC1=O)C1CC([NH3+])C1 ZINC000449627001 388245355 /nfs/dbraw/zinc/24/53/55/388245355.db2.gz FJXDQILZBQTDCU-UHFFFAOYSA-N 1 0 240.307 -1.634 20 0 BAADRO CC[N@H+](CC(=O)N[C@@H]1CN(C)NC1=O)C1CC1 ZINC000450605607 202208933 /nfs/dbraw/zinc/20/89/33/202208933.db2.gz ADLPRXJHZADQQY-SECBINFHSA-N 1 0 240.307 -1.068 20 0 BAADRO CC[N@H+](CC(=O)N[C@H]1CN(C)NC1=O)C1CC1 ZINC000450605608 202208012 /nfs/dbraw/zinc/20/80/12/202208012.db2.gz ADLPRXJHZADQQY-VIFPVBQESA-N 1 0 240.307 -1.068 20 0 BAADRO CC[C@H](C(=O)N[C@@H]1CN(C)NC1=O)[NH+](C)C ZINC000450605887 202208631 /nfs/dbraw/zinc/20/86/31/202208631.db2.gz BQCPKTJIRJZCNS-HTQZYQBOSA-N 1 0 228.296 -1.212 20 0 BAADRO CC[C@H](C(=O)N[C@H]1CN(C)NC1=O)[NH+](C)C ZINC000450605888 202209822 /nfs/dbraw/zinc/20/98/22/202209822.db2.gz BQCPKTJIRJZCNS-JGVFFNPUSA-N 1 0 228.296 -1.212 20 0 BAADRO CC[C@@H](C(=O)N[C@@H]1CN(C)NC1=O)[NH+](C)C ZINC000450605889 202208861 /nfs/dbraw/zinc/20/88/61/202208861.db2.gz BQCPKTJIRJZCNS-SFYZADRCSA-N 1 0 228.296 -1.212 20 0 BAADRO CC[C@@H](C(=O)N[C@H]1CN(C)NC1=O)[NH+](C)C ZINC000450605890 202209694 /nfs/dbraw/zinc/20/96/94/202209694.db2.gz BQCPKTJIRJZCNS-YUMQZZPRSA-N 1 0 228.296 -1.212 20 0 BAADRO CCC[N@H+](C)CC(=O)N[C@@H]1CN(C)NC1=O ZINC000450620805 202213466 /nfs/dbraw/zinc/21/34/66/202213466.db2.gz YZOVTSOPXPIKSF-MRVPVSSYSA-N 1 0 228.296 -1.210 20 0 BAADRO CCC[N@H+](C)CC(=O)N[C@H]1CN(C)NC1=O ZINC000450620806 202213123 /nfs/dbraw/zinc/21/31/23/202213123.db2.gz YZOVTSOPXPIKSF-QMMMGPOBSA-N 1 0 228.296 -1.210 20 0 BAADRO CNC(=O)N[C@H]1CC[N@@H+]([C@@H]2COC[C@H]2O)C1 ZINC000463125252 529890043 /nfs/dbraw/zinc/89/00/43/529890043.db2.gz PGTMXNXVABHZKP-DJLDLDEBSA-N 1 0 229.280 -1.251 20 0 BAADRO CNC(=O)N[C@H]1CC[N@@H+]([C@H]2COC[C@H]2O)C1 ZINC000463125264 529890309 /nfs/dbraw/zinc/89/03/09/529890309.db2.gz PGTMXNXVABHZKP-XHNCKOQMSA-N 1 0 229.280 -1.251 20 0 BAADRO C[C@@H]1C[N@@H+]([C@H]2COC[C@H]2O)C[C@H]1C(N)=O ZINC000463195374 388088483 /nfs/dbraw/zinc/08/84/83/388088483.db2.gz WUPFTEBRBBRMFH-LURQLKTLSA-N 1 0 214.265 -1.201 20 0 BAADRO C[C@@]1(C(N)=O)CC[N@@H+]([C@@H]2COC[C@H]2O)C1 ZINC000463209384 224955805 /nfs/dbraw/zinc/95/58/05/224955805.db2.gz BPXBQDPAXBBARU-NQMVMOMDSA-N 1 0 214.265 -1.057 20 0 BAADRO C[C@@]1(C(N)=O)CC[N@@H+]([C@H]2COC[C@H]2O)C1 ZINC000463209385 388088539 /nfs/dbraw/zinc/08/85/39/388088539.db2.gz BPXBQDPAXBBARU-QXFUBDJGSA-N 1 0 214.265 -1.057 20 0 BAADRO C[NH+](C)CCOCCNC(=O)NCCO ZINC000471633908 225068051 /nfs/dbraw/zinc/06/80/51/225068051.db2.gz CYTDXOIKJDPZQC-UHFFFAOYSA-N 1 0 219.285 -1.144 20 0 BAADRO C[NH+](C)CCOCCNC(=O)NCCC(N)=O ZINC000471638317 225068438 /nfs/dbraw/zinc/06/84/38/225068438.db2.gz RPJCTAYPEHGCFT-UHFFFAOYSA-N 1 0 246.311 -1.261 20 0 BAADRO C[NH+](C)CCOCCNC(=O)NC(CO)CO ZINC000471640306 225067644 /nfs/dbraw/zinc/06/76/44/225067644.db2.gz XKUSJAMIADSCBT-UHFFFAOYSA-N 1 0 249.311 -1.783 20 0 BAADRO CNC(=O)CNC(=O)NCCOCC[NH+](C)C ZINC000471655767 529863918 /nfs/dbraw/zinc/86/39/18/529863918.db2.gz YCFBPMMMSDULMO-UHFFFAOYSA-N 1 0 246.311 -1.390 20 0 BAADRO COC[C@@H](O)CN1C[C@@H](O)C[C@H]1C(=O)OC ZINC000473193550 225103717 /nfs/dbraw/zinc/10/37/17/225103717.db2.gz RKQRBBWPWHEQRZ-CIUDSAMLSA-N 1 0 233.264 -1.398 20 0 BAADRO COC[C@@H](O)CN1C[C@H](O)C[C@H]1C(=O)OC ZINC000473193808 225104273 /nfs/dbraw/zinc/10/42/73/225104273.db2.gz RKQRBBWPWHEQRZ-VGMNWLOBSA-N 1 0 233.264 -1.398 20 0 BAADRO CC[C@@H](NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)C(=O)OC ZINC000479125366 529660020 /nfs/dbraw/zinc/66/00/20/529660020.db2.gz AHUMTKAUXTXXLR-BWZBUEFSSA-N 1 0 230.264 -1.223 20 0 BAADRO C[C@H]1CN(C)CCN1C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000479300688 225179882 /nfs/dbraw/zinc/17/98/82/225179882.db2.gz NNPQCFJTQMPPGU-IVZWLZJFSA-N 1 0 227.308 -1.128 20 0 BAADRO CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC(N)=O)C1 ZINC000479650827 529049316 /nfs/dbraw/zinc/04/93/16/529049316.db2.gz UYPWUBDYZXMSEN-MRVPVSSYSA-N 1 0 229.280 -1.303 20 0 BAADRO CC(C)[N@@H+]1CCO[C@H](C(=O)NCC(N)=O)C1 ZINC000479650829 529053672 /nfs/dbraw/zinc/05/36/72/529053672.db2.gz UYPWUBDYZXMSEN-QMMMGPOBSA-N 1 0 229.280 -1.303 20 0 BAADRO COC(=O)[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000486867933 225271377 /nfs/dbraw/zinc/27/13/77/225271377.db2.gz QKLZESQWOIOBAI-CIUDSAMLSA-N 1 0 244.291 -1.166 20 0 BAADRO COC(=O)[C@@H](O)CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000486867934 225270584 /nfs/dbraw/zinc/27/05/84/225270584.db2.gz QKLZESQWOIOBAI-HLTSFMKQSA-N 1 0 244.291 -1.166 20 0 BAADRO COC(=O)[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000486867936 225271065 /nfs/dbraw/zinc/27/10/65/225271065.db2.gz QKLZESQWOIOBAI-VGMNWLOBSA-N 1 0 244.291 -1.166 20 0 BAADRO COC(=O)[C@@H](O)CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000486867937 225271106 /nfs/dbraw/zinc/27/11/06/225271106.db2.gz QKLZESQWOIOBAI-YIZRAAEISA-N 1 0 244.291 -1.166 20 0 BAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C[C@H](O)CO ZINC000486947176 533901256 /nfs/dbraw/zinc/90/12/56/533901256.db2.gz UGXBUCWGKUWPBL-GUBZILKMSA-N 1 0 230.308 -1.004 20 0 BAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(C)C[C@H](O)CO ZINC000486947184 534442556 /nfs/dbraw/zinc/44/25/56/534442556.db2.gz UGXBUCWGKUWPBL-KXUCPTDWSA-N 1 0 230.308 -1.004 20 0 BAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(C)C[C@H](O)CO ZINC000486947185 225273902 /nfs/dbraw/zinc/27/39/02/225273902.db2.gz UGXBUCWGKUWPBL-LPEHRKFASA-N 1 0 230.308 -1.004 20 0 BAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C[C@H](O)CO ZINC000486947186 225273504 /nfs/dbraw/zinc/27/35/04/225273504.db2.gz UGXBUCWGKUWPBL-UTLUCORTSA-N 1 0 230.308 -1.004 20 0 BAADRO COC(=O)CNC(=O)C[N@@H+]1CC[C@@H](CO)[C@H]1C ZINC000488728002 388191789 /nfs/dbraw/zinc/19/17/89/388191789.db2.gz HDOZYRZRUQYRQH-BDAKNGLRSA-N 1 0 244.291 -1.022 20 0 BAADRO COC(=O)CNC(=O)C[N@@H+]1CC[C@H](CO)[C@@H]1C ZINC000488728007 388191749 /nfs/dbraw/zinc/19/17/49/388191749.db2.gz HDOZYRZRUQYRQH-DTWKUNHWSA-N 1 0 244.291 -1.022 20 0 BAADRO COC(=O)CNC(=O)C[N@@H+]1CC[C@@H](CO)[C@@H]1C ZINC000488728009 388191526 /nfs/dbraw/zinc/19/15/26/388191526.db2.gz HDOZYRZRUQYRQH-IUCAKERBSA-N 1 0 244.291 -1.022 20 0 BAADRO COC(=O)CNC(=O)C[N@@H+]1CC[C@H](CO)[C@H]1C ZINC000488728011 388191705 /nfs/dbraw/zinc/19/17/05/388191705.db2.gz HDOZYRZRUQYRQH-RKDXNWHRSA-N 1 0 244.291 -1.022 20 0 BAADRO CN(CC(=O)N1CCOCC1)C(=O)CC[NH3+] ZINC000489861239 529828621 /nfs/dbraw/zinc/82/86/21/529828621.db2.gz DXLHHKVWAXPPIT-UHFFFAOYSA-N 1 0 229.280 -1.348 20 0 BAADRO CC(C)([NH3+])C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000490775239 388253805 /nfs/dbraw/zinc/25/38/05/388253805.db2.gz WYUAMUDPHVKHHW-SSDOTTSWSA-N 1 0 249.336 -1.126 20 0 BAADRO CC(C)([NH3+])C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000490775274 388253429 /nfs/dbraw/zinc/25/34/29/388253429.db2.gz WYUAMUDPHVKHHW-ZETCQYMHSA-N 1 0 249.336 -1.126 20 0 BAADRO CC[C@H]([NH3+])C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000490777899 388253783 /nfs/dbraw/zinc/25/37/83/388253783.db2.gz WHVLOGIHUGADTR-SFYZADRCSA-N 1 0 249.336 -1.126 20 0 BAADRO CC[C@H]([NH3+])C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000490777900 388253645 /nfs/dbraw/zinc/25/36/45/388253645.db2.gz WHVLOGIHUGADTR-YUMQZZPRSA-N 1 0 249.336 -1.126 20 0 BAADRO CC[C@@H](NC(=O)C[NH3+])C(=O)N1CCOCC1 ZINC000490908986 529595846 /nfs/dbraw/zinc/59/58/46/529595846.db2.gz KSXRGGOEFNPFHQ-MRVPVSSYSA-N 1 0 229.280 -1.301 20 0 BAADRO CC[C@H](NC(=O)C[NH3+])C(=O)N1CCOCC1 ZINC000490908989 529476107 /nfs/dbraw/zinc/47/61/07/529476107.db2.gz KSXRGGOEFNPFHQ-QMMMGPOBSA-N 1 0 229.280 -1.301 20 0 BAADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)CC[NH3+] ZINC000491017787 388265022 /nfs/dbraw/zinc/26/50/22/388265022.db2.gz HYGORIIBJUQGNO-MRVPVSSYSA-N 1 0 249.336 -1.125 20 0 BAADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)CC[NH3+] ZINC000491017798 388264802 /nfs/dbraw/zinc/26/48/02/388264802.db2.gz HYGORIIBJUQGNO-QMMMGPOBSA-N 1 0 249.336 -1.125 20 0 BAADRO NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)O1 ZINC000491032477 225578868 /nfs/dbraw/zinc/57/88/68/225578868.db2.gz GRAHRWGUFWLOCM-HRDYMLBCSA-N 1 0 241.291 -1.113 20 0 BAADRO NC(=O)[C@H]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)O1 ZINC000491032481 225578571 /nfs/dbraw/zinc/57/85/71/225578571.db2.gz GRAHRWGUFWLOCM-XHNCKOQMSA-N 1 0 241.291 -1.113 20 0 BAADRO CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)C[NH3+] ZINC000491045126 491078940 /nfs/dbraw/zinc/07/89/40/491078940.db2.gz FOADJGDILISGKJ-HTQZYQBOSA-N 1 0 249.336 -1.221 20 0 BAADRO CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)C[NH3+] ZINC000491045133 491078932 /nfs/dbraw/zinc/07/89/32/491078932.db2.gz FOADJGDILISGKJ-JGVFFNPUSA-N 1 0 249.336 -1.221 20 0 BAADRO CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)C[NH3+] ZINC000491045134 491078948 /nfs/dbraw/zinc/07/89/48/491078948.db2.gz FOADJGDILISGKJ-SFYZADRCSA-N 1 0 249.336 -1.221 20 0 BAADRO CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)C[NH3+] ZINC000491045135 533416455 /nfs/dbraw/zinc/41/64/55/533416455.db2.gz FOADJGDILISGKJ-YUMQZZPRSA-N 1 0 249.336 -1.221 20 0 BAADRO NC(=O)NC(=O)CCNC(=O)C1([NH3+])CCCC1 ZINC000491154445 388273756 /nfs/dbraw/zinc/27/37/56/388273756.db2.gz HKJSEGCPDWKIFE-UHFFFAOYSA-N 1 0 242.279 -1.041 20 0 BAADRO C[NH+](C)C/C=C/C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000491866182 388325248 /nfs/dbraw/zinc/32/52/48/388325248.db2.gz IYBVXJYBZFZRSH-CDAZIORVSA-N 1 0 241.291 -1.183 20 0 BAADRO C[NH+](C)C/C=C/C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000491866183 388325154 /nfs/dbraw/zinc/32/51/54/388325154.db2.gz IYBVXJYBZFZRSH-NWALNABHSA-N 1 0 241.291 -1.183 20 0 BAADRO C[NH+](C)C/C=C\C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000491866184 388325170 /nfs/dbraw/zinc/32/51/70/388325170.db2.gz IYBVXJYBZFZRSH-TYRPZCRBSA-N 1 0 241.291 -1.183 20 0 BAADRO C[NH+](C)C/C=C\C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000491866185 388325330 /nfs/dbraw/zinc/32/53/30/388325330.db2.gz IYBVXJYBZFZRSH-ZBJFTSOASA-N 1 0 241.291 -1.183 20 0 BAADRO COCCNC(=O)CNC(=O)/C=C\C[NH+](C)C ZINC000491869789 388325572 /nfs/dbraw/zinc/32/55/72/388325572.db2.gz NSBIRCAKCNERIG-PLNGDYQASA-N 1 0 243.307 -1.017 20 0 BAADRO COCCNC(=O)CNC(=O)/C=C/C[NH+](C)C ZINC000491869790 388325436 /nfs/dbraw/zinc/32/54/36/388325436.db2.gz NSBIRCAKCNERIG-SNAWJCMRSA-N 1 0 243.307 -1.017 20 0 BAADRO C[NH+](C)C/C=C\C(=O)NCCNS(C)(=O)=O ZINC000491875050 388325802 /nfs/dbraw/zinc/32/58/02/388325802.db2.gz XWOGYGKUGJOPCX-PLNGDYQASA-N 1 0 249.336 -1.230 20 0 BAADRO C[NH+](C)C/C=C/C(=O)NCCNS(C)(=O)=O ZINC000491875052 388325884 /nfs/dbraw/zinc/32/58/84/388325884.db2.gz XWOGYGKUGJOPCX-SNAWJCMRSA-N 1 0 249.336 -1.230 20 0 BAADRO CNS(=O)(=O)CCNC(=O)/C=C\C[NH+](C)C ZINC000491985086 388330416 /nfs/dbraw/zinc/33/04/16/388330416.db2.gz SWECYQKBCWSZOG-PLNGDYQASA-N 1 0 249.336 -1.230 20 0 BAADRO CNS(=O)(=O)CCNC(=O)/C=C/C[NH+](C)C ZINC000491985087 388330615 /nfs/dbraw/zinc/33/06/15/388330615.db2.gz SWECYQKBCWSZOG-SNAWJCMRSA-N 1 0 249.336 -1.230 20 0 BAADRO C[NH+](C)C/C=C\C(=O)NCCC(=O)NC(N)=O ZINC000492162232 388337011 /nfs/dbraw/zinc/33/70/11/388337011.db2.gz KVNBDGXTJZLACM-ARJAWSKDSA-N 1 0 242.279 -1.195 20 0 BAADRO C[NH+](C)C/C=C/C(=O)NCCC(=O)NC(N)=O ZINC000492162233 388336996 /nfs/dbraw/zinc/33/69/96/388336996.db2.gz KVNBDGXTJZLACM-ONEGZZNKSA-N 1 0 242.279 -1.195 20 0 BAADRO C[NH+](C)C/C=C\C(=O)NCCn1ncnn1 ZINC000492201851 388337979 /nfs/dbraw/zinc/33/79/79/388337979.db2.gz CHESDBLMSRMOTN-ARJAWSKDSA-N 1 0 224.268 -1.093 20 0 BAADRO C[NH+](C)C/C=C/C(=O)NCCn1ncnn1 ZINC000492201852 388337973 /nfs/dbraw/zinc/33/79/73/388337973.db2.gz CHESDBLMSRMOTN-ONEGZZNKSA-N 1 0 224.268 -1.093 20 0 BAADRO C[NH+](C)C/C=C/C(=O)N1CCOC[C@@H]1C(N)=O ZINC000492338751 388341954 /nfs/dbraw/zinc/34/19/54/388341954.db2.gz GCWCNSJBLFILQX-CDAZIORVSA-N 1 0 241.291 -1.183 20 0 BAADRO C[NH+](C)C/C=C/C(=O)N1CCOC[C@H]1C(N)=O ZINC000492338752 388341841 /nfs/dbraw/zinc/34/18/41/388341841.db2.gz GCWCNSJBLFILQX-NWALNABHSA-N 1 0 241.291 -1.183 20 0 BAADRO C[NH+](C)C/C=C\C(=O)N1CCOC[C@H]1C(N)=O ZINC000492338753 388341781 /nfs/dbraw/zinc/34/17/81/388341781.db2.gz GCWCNSJBLFILQX-TYRPZCRBSA-N 1 0 241.291 -1.183 20 0 BAADRO C[NH+](C)C/C=C\C(=O)N1CCOC[C@@H]1C(N)=O ZINC000492338754 388341890 /nfs/dbraw/zinc/34/18/90/388341890.db2.gz GCWCNSJBLFILQX-ZBJFTSOASA-N 1 0 241.291 -1.183 20 0 BAADRO COC(=O)[C@@H](O)CNC(=O)/C=C\C[NH+](C)C ZINC000492338857 388341789 /nfs/dbraw/zinc/34/17/89/388341789.db2.gz NKKXNXDKYYGZRE-LGYSABEFSA-N 1 0 230.264 -1.246 20 0 BAADRO COC(=O)[C@@H](O)CNC(=O)/C=C/C[NH+](C)C ZINC000492338858 388341993 /nfs/dbraw/zinc/34/19/93/388341993.db2.gz NKKXNXDKYYGZRE-ZJELKQJVSA-N 1 0 230.264 -1.246 20 0 BAADRO CN(C[C@H](O)CO)C(=O)/C=C\C[NH+](C)C ZINC000492623472 226028495 /nfs/dbraw/zinc/02/84/95/226028495.db2.gz LRTDGOMYAXTBNT-WBSSQXGSSA-N 1 0 216.281 -1.084 20 0 BAADRO C[NH+](C)C/C=C\C(=O)NC(C)(CO)CO ZINC000492640630 226031175 /nfs/dbraw/zinc/03/11/75/226031175.db2.gz BAIAVFPRHCBYFH-PLNGDYQASA-N 1 0 216.281 -1.036 20 0 BAADRO CC[N@H+](CCCOC(=O)NC(N)=O)CC(N)=O ZINC000492751505 528470518 /nfs/dbraw/zinc/47/05/18/528470518.db2.gz YETCFGGFLKQVKQ-UHFFFAOYSA-N 1 0 246.267 -1.011 20 0 BAADRO C[NH+](C)C/C=C\C(=O)NC[C@](C)(O)CO ZINC000492889018 385460941 /nfs/dbraw/zinc/46/09/41/385460941.db2.gz AAEBWFPSSPJCFI-LWTINBJPSA-N 1 0 216.281 -1.036 20 0 BAADRO C[NH+](C)C/C=C/C(=O)NC[C@@](C)(O)CO ZINC000492889022 385460170 /nfs/dbraw/zinc/46/01/70/385460170.db2.gz AAEBWFPSSPJCFI-ORAHPGNNSA-N 1 0 216.281 -1.036 20 0 BAADRO C[NH+](C)C/C=C\C(=O)NC[C@@](C)(O)CO ZINC000492889024 385460246 /nfs/dbraw/zinc/46/02/46/385460246.db2.gz AAEBWFPSSPJCFI-UMCURTJPSA-N 1 0 216.281 -1.036 20 0 BAADRO C[NH+](C)C/C=C/C(=O)NC[C@](C)(O)CO ZINC000492889026 385460704 /nfs/dbraw/zinc/46/07/04/385460704.db2.gz AAEBWFPSSPJCFI-YEZKRMTDSA-N 1 0 216.281 -1.036 20 0 BAADRO COC(=O)[C@H](CO)NC(=O)/C=C\C[NH+](C)C ZINC000493029878 533291973 /nfs/dbraw/zinc/29/19/73/533291973.db2.gz WKBPMVHVHWSUAJ-LGYSABEFSA-N 1 0 230.264 -1.246 20 0 BAADRO COC(=O)[C@H](CO)NC(=O)/C=C/C[NH+](C)C ZINC000493029879 533290665 /nfs/dbraw/zinc/29/06/65/533290665.db2.gz WKBPMVHVHWSUAJ-ZJELKQJVSA-N 1 0 230.264 -1.246 20 0 BAADRO CN1C(=O)C[C@H](NC(=O)/C=C\C[NH+](C)C)C1=O ZINC000493430982 226214175 /nfs/dbraw/zinc/21/41/75/226214175.db2.gz ZBFJTFNTCQYBOO-LGYSABEFSA-N 1 0 239.275 -1.022 20 0 BAADRO CN1C(=O)C[C@@H](NC(=O)/C=C\C[NH+](C)C)C1=O ZINC000493430983 226214263 /nfs/dbraw/zinc/21/42/63/226214263.db2.gz ZBFJTFNTCQYBOO-PULIVWKDSA-N 1 0 239.275 -1.022 20 0 BAADRO CN1C(=O)C[C@@H](NC(=O)/C=C/C[NH+](C)C)C1=O ZINC000493430984 226214640 /nfs/dbraw/zinc/21/46/40/226214640.db2.gz ZBFJTFNTCQYBOO-WTSVBCDHSA-N 1 0 239.275 -1.022 20 0 BAADRO CN1C(=O)C[C@H](NC(=O)/C=C/C[NH+](C)C)C1=O ZINC000493430985 226214836 /nfs/dbraw/zinc/21/48/36/226214836.db2.gz ZBFJTFNTCQYBOO-ZJELKQJVSA-N 1 0 239.275 -1.022 20 0 BAADRO CN1C(=O)CN(C(=O)/C=C\C[NH+](C)C)CC1=O ZINC000493517909 226238093 /nfs/dbraw/zinc/23/80/93/226238093.db2.gz GHHADRHPTSFQEL-PLNGDYQASA-N 1 0 239.275 -1.069 20 0 BAADRO CN1C(=O)CN(C(=O)/C=C/C[NH+](C)C)CC1=O ZINC000493517913 226238212 /nfs/dbraw/zinc/23/82/12/226238212.db2.gz GHHADRHPTSFQEL-SNAWJCMRSA-N 1 0 239.275 -1.069 20 0 BAADRO C[C@@H](C(N)=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000493670577 226248515 /nfs/dbraw/zinc/24/85/15/226248515.db2.gz SLOKTKYVDOYYMH-BQBZGAKWSA-N 1 0 213.237 -1.003 20 0 BAADRO C[C@@H](C(N)=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000493670578 226248417 /nfs/dbraw/zinc/24/84/17/226248417.db2.gz SLOKTKYVDOYYMH-NKWVEPMBSA-N 1 0 213.237 -1.003 20 0 BAADRO C[C@H](C(N)=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000493670579 226248401 /nfs/dbraw/zinc/24/84/01/226248401.db2.gz SLOKTKYVDOYYMH-RNFRBKRXSA-N 1 0 213.237 -1.003 20 0 BAADRO C[C@H](C(N)=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000493670580 226248365 /nfs/dbraw/zinc/24/83/65/226248365.db2.gz SLOKTKYVDOYYMH-RQJHMYQMSA-N 1 0 213.237 -1.003 20 0 BAADRO COC(=O)NCC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000493913934 534037560 /nfs/dbraw/zinc/03/75/60/534037560.db2.gz FCFXYYUOXQJRPB-JTQLQIEISA-N 1 0 247.295 -1.229 20 0 BAADRO COC(=O)NCC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000493913935 534036207 /nfs/dbraw/zinc/03/62/07/534036207.db2.gz FCFXYYUOXQJRPB-SNVBAGLBSA-N 1 0 247.295 -1.229 20 0 BAADRO C[NH+](C)CCN1C[C@H](C(=O)NCCO)CC1=O ZINC000494481171 226265678 /nfs/dbraw/zinc/26/56/78/226265678.db2.gz DOJAYCYUYJSNQC-SECBINFHSA-N 1 0 243.307 -1.495 20 0 BAADRO C[NH+](C)CCN1C[C@@H](C(=O)NCCO)CC1=O ZINC000494481172 226265876 /nfs/dbraw/zinc/26/58/76/226265876.db2.gz DOJAYCYUYJSNQC-VIFPVBQESA-N 1 0 243.307 -1.495 20 0 BAADRO CNC(=O)C[N@H+](C)CCCOC(=O)NC(N)=O ZINC000494590719 529861073 /nfs/dbraw/zinc/86/10/73/529861073.db2.gz RCWRRZZISZJWSY-UHFFFAOYSA-N 1 0 246.267 -1.141 20 0 BAADRO CN(C)CC[N@H+](C)CCCNC(=O)CO ZINC000494840407 226270268 /nfs/dbraw/zinc/27/02/68/226270268.db2.gz PCUVMKYVEXGYSU-UHFFFAOYSA-N 1 0 217.313 -1.022 20 0 BAADRO COC(=O)C[C@H](NC(=O)CC[NH3+])C(=O)OC ZINC000494857718 533703432 /nfs/dbraw/zinc/70/34/32/533703432.db2.gz GWCXSBRXDYGCBF-LURJTMIESA-N 1 0 232.236 -1.444 20 0 BAADRO COC(=O)C[C@@H](NC(=O)CC[NH3+])C(=O)OC ZINC000494857719 533608463 /nfs/dbraw/zinc/60/84/63/533608463.db2.gz GWCXSBRXDYGCBF-ZCFIWIBFSA-N 1 0 232.236 -1.444 20 0 BAADRO COC(=O)C[C@@H](NC(=O)CCC[NH3+])C(=O)OC ZINC000494860237 533608963 /nfs/dbraw/zinc/60/89/63/533608963.db2.gz VFPKETWDJXNDAG-SSDOTTSWSA-N 1 0 246.263 -1.054 20 0 BAADRO COC(=O)C[C@H](NC(=O)CCC[NH3+])C(=O)OC ZINC000494860238 533704036 /nfs/dbraw/zinc/70/40/36/533704036.db2.gz VFPKETWDJXNDAG-ZETCQYMHSA-N 1 0 246.263 -1.054 20 0 BAADRO NC(=O)[C@H]1CN(C(=O)C2([NH3+])CCCC2)CCO1 ZINC000494878993 534459407 /nfs/dbraw/zinc/45/94/07/534459407.db2.gz OBAYIHWBNHYXBL-MRVPVSSYSA-N 1 0 241.291 -1.029 20 0 BAADRO NC(=O)[C@@H]1CN(C(=O)C2([NH3+])CCCC2)CCO1 ZINC000494878994 226270597 /nfs/dbraw/zinc/27/05/97/226270597.db2.gz OBAYIHWBNHYXBL-QMMMGPOBSA-N 1 0 241.291 -1.029 20 0 BAADRO Cn1cc(C(=O)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cn1 ZINC000495133039 534729826 /nfs/dbraw/zinc/72/98/26/534729826.db2.gz OSVATDMAEMRZOQ-BRPSZJMVSA-N 1 0 234.259 -1.063 20 0 BAADRO CN(CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)S(C)(=O)=O ZINC000495135450 529836582 /nfs/dbraw/zinc/83/65/82/529836582.db2.gz BKJNZPFOQALTQU-QMSLJYSESA-N 1 0 247.320 -1.788 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000495135500 533492138 /nfs/dbraw/zinc/49/21/38/533492138.db2.gz GTCCGTJWUYZFFM-NGJRWZKOSA-N 1 0 247.320 -1.742 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000495135504 226277019 /nfs/dbraw/zinc/27/70/19/226277019.db2.gz GTCCGTJWUYZFFM-RULNZFCNSA-N 1 0 247.320 -1.742 20 0 BAADRO CC[N@H+](CCO)CCNC(=O)CNC(=O)OC ZINC000495424773 528532568 /nfs/dbraw/zinc/53/25/68/528532568.db2.gz RDESIXGQRPPSMR-UHFFFAOYSA-N 1 0 247.295 -1.227 20 0 BAADRO C[N@H+](CCCOC(=O)NC(N)=O)CCC(N)=O ZINC000495617434 529894008 /nfs/dbraw/zinc/89/40/08/529894008.db2.gz ILDXXIUTRRBMAS-UHFFFAOYSA-N 1 0 246.267 -1.011 20 0 BAADRO COC(=O)NCC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000495625784 534032019 /nfs/dbraw/zinc/03/20/19/534032019.db2.gz WWUKIECTLXELQQ-YUMQZZPRSA-N 1 0 245.279 -1.524 20 0 BAADRO C[NH+](C)C[C@](C)(O)CNC(=O)[C@H]1COC(=O)N1 ZINC000495660818 226285017 /nfs/dbraw/zinc/28/50/17/226285017.db2.gz CXKUURQPYGDOCA-GMSGAONNSA-N 1 0 245.279 -1.476 20 0 BAADRO C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1COC(=O)N1 ZINC000495660819 226285020 /nfs/dbraw/zinc/28/50/20/226285020.db2.gz CXKUURQPYGDOCA-OIBJUYFYSA-N 1 0 245.279 -1.476 20 0 BAADRO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@H]1COC(=O)N1 ZINC000495660820 226285170 /nfs/dbraw/zinc/28/51/70/226285170.db2.gz CXKUURQPYGDOCA-XCBNKYQSSA-N 1 0 245.279 -1.476 20 0 BAADRO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1COC(=O)N1 ZINC000495660821 226284927 /nfs/dbraw/zinc/28/49/27/226284927.db2.gz CXKUURQPYGDOCA-XVKPBYJWSA-N 1 0 245.279 -1.476 20 0 BAADRO C[N@H+](C[C@H]1CNC(=O)O1)[C@@H]1COC[C@H]1O ZINC000495679456 529972889 /nfs/dbraw/zinc/97/28/89/529972889.db2.gz KACIZLMQXUWIFT-BWZBUEFSSA-N 1 0 216.237 -1.214 20 0 BAADRO C[N@H+](C[C@@H]1CNC(=O)O1)[C@@H]1COC[C@H]1O ZINC000495679457 529957476 /nfs/dbraw/zinc/95/74/76/529957476.db2.gz KACIZLMQXUWIFT-XLPZGREQSA-N 1 0 216.237 -1.214 20 0 BAADRO CN1C[C@H](C[NH+](CCO)CCO)OC1=O ZINC000495724957 529825306 /nfs/dbraw/zinc/82/53/06/529825306.db2.gz CYUSVQYCVIPUTQ-MRVPVSSYSA-N 1 0 218.253 -1.276 20 0 BAADRO CN1C[C@@H](C[NH+](CCO)CCO)OC1=O ZINC000495724958 529817027 /nfs/dbraw/zinc/81/70/27/529817027.db2.gz CYUSVQYCVIPUTQ-QMMMGPOBSA-N 1 0 218.253 -1.276 20 0 BAADRO COC(=O)N(C)CC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000496046701 533842101 /nfs/dbraw/zinc/84/21/01/533842101.db2.gz FDSLPMCFCWSGPN-MRVPVSSYSA-N 1 0 245.279 -1.129 20 0 BAADRO COC(=O)N(C)CC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000496046702 533841924 /nfs/dbraw/zinc/84/19/24/533841924.db2.gz FDSLPMCFCWSGPN-QMMMGPOBSA-N 1 0 245.279 -1.129 20 0 BAADRO CO[C@H](C[NH3+])C(=O)NCCCN1CCOC1=O ZINC000496052484 226295700 /nfs/dbraw/zinc/29/57/00/226295700.db2.gz PQGHIXCIEATBQP-MRVPVSSYSA-N 1 0 245.279 -1.081 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)NCCCN1CCOC1=O ZINC000496052487 226295555 /nfs/dbraw/zinc/29/55/55/226295555.db2.gz PQGHIXCIEATBQP-QMMMGPOBSA-N 1 0 245.279 -1.081 20 0 BAADRO COC(=O)NCCC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000496200903 534059546 /nfs/dbraw/zinc/05/95/46/534059546.db2.gz QYNWOSFNODWBEY-MRVPVSSYSA-N 1 0 245.279 -1.081 20 0 BAADRO COC(=O)NCCC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000496200904 534059987 /nfs/dbraw/zinc/05/99/87/534059987.db2.gz QYNWOSFNODWBEY-QMMMGPOBSA-N 1 0 245.279 -1.081 20 0 BAADRO CCOC(=O)NCC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000496224963 529031013 /nfs/dbraw/zinc/03/10/13/529031013.db2.gz HGQTUCPTVBUYNF-MRVPVSSYSA-N 1 0 245.279 -1.081 20 0 BAADRO CCOC(=O)NCC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000496224964 529031158 /nfs/dbraw/zinc/03/11/58/529031158.db2.gz HGQTUCPTVBUYNF-QMMMGPOBSA-N 1 0 245.279 -1.081 20 0 BAADRO CCOC(=O)NCC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000496279698 529038327 /nfs/dbraw/zinc/03/83/27/529038327.db2.gz ZUPDCEAQUUJEOY-MRVPVSSYSA-N 1 0 245.279 -1.163 20 0 BAADRO CCOC(=O)NCC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000496279699 529038466 /nfs/dbraw/zinc/03/84/66/529038466.db2.gz ZUPDCEAQUUJEOY-QMMMGPOBSA-N 1 0 245.279 -1.163 20 0 BAADRO COC(=O)NCC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000496336517 534038759 /nfs/dbraw/zinc/03/87/59/534038759.db2.gz BWVPIHFPQMXFAO-MRVPVSSYSA-N 1 0 244.295 -1.638 20 0 BAADRO COC(=O)NCC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000496336520 534036854 /nfs/dbraw/zinc/03/68/54/534036854.db2.gz BWVPIHFPQMXFAO-QMMMGPOBSA-N 1 0 244.295 -1.638 20 0 BAADRO COC(=O)N(C)CC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000496654622 533856352 /nfs/dbraw/zinc/85/63/52/533856352.db2.gz JJXVNEWSTNYRLZ-MRVPVSSYSA-N 1 0 245.279 -1.211 20 0 BAADRO COC(=O)N(C)CC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000496654623 533853584 /nfs/dbraw/zinc/85/35/84/533853584.db2.gz JJXVNEWSTNYRLZ-QMMMGPOBSA-N 1 0 245.279 -1.211 20 0 BAADRO COC(=O)NCCC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000496789087 534068828 /nfs/dbraw/zinc/06/88/28/534068828.db2.gz BRBHBHRDHGQIAE-MRVPVSSYSA-N 1 0 245.279 -1.163 20 0 BAADRO COC(=O)NCCC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000496789088 534066795 /nfs/dbraw/zinc/06/67/95/534066795.db2.gz BRBHBHRDHGQIAE-QMMMGPOBSA-N 1 0 245.279 -1.163 20 0 BAADRO COC(=O)NCC(=O)NCCN1CC[NH2+]CC1 ZINC000496806347 534035421 /nfs/dbraw/zinc/03/54/21/534035421.db2.gz ZKBSKWIURYPAFS-UHFFFAOYSA-N 1 0 244.295 -1.636 20 0 BAADRO COC(=O)NCC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000496899133 534028164 /nfs/dbraw/zinc/02/81/64/534028164.db2.gz BSUGZFUOFMPSQE-MRVPVSSYSA-N 1 0 244.295 -1.556 20 0 BAADRO COC(=O)NCC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000496899134 534027980 /nfs/dbraw/zinc/02/79/80/534027980.db2.gz BSUGZFUOFMPSQE-QMMMGPOBSA-N 1 0 244.295 -1.556 20 0 BAADRO CN1C[C@@H](C[NH2+]C(CO)CO)OC1=O ZINC000497000739 529818032 /nfs/dbraw/zinc/81/80/32/529818032.db2.gz RGURKMNZQKUQBO-SSDOTTSWSA-N 1 0 204.226 -1.620 20 0 BAADRO CN1C[C@H](C[NH2+]C(CO)CO)OC1=O ZINC000497000740 529826370 /nfs/dbraw/zinc/82/63/70/529826370.db2.gz RGURKMNZQKUQBO-ZETCQYMHSA-N 1 0 204.226 -1.620 20 0 BAADRO C[NH+](C)C1CN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000497031456 226320831 /nfs/dbraw/zinc/32/08/31/226320831.db2.gz CYVKUGPNPIMVKI-ZETCQYMHSA-N 1 0 213.237 -1.133 20 0 BAADRO COCC[NH2+]CCNC(=O)CNC(=O)OC ZINC000497074170 533020118 /nfs/dbraw/zinc/02/01/18/533020118.db2.gz UDETXEZOMQCCPJ-UHFFFAOYSA-N 1 0 233.268 -1.305 20 0 BAADRO C[NH+](C)[C@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@@H]1O ZINC000497099834 226322487 /nfs/dbraw/zinc/32/24/87/226322487.db2.gz YNMJNHWAOVWTPV-CSMHCCOUSA-N 1 0 243.263 -1.772 20 0 BAADRO C[NH+](C)[C@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@@H]1O ZINC000497099838 226322391 /nfs/dbraw/zinc/32/23/91/226322391.db2.gz YNMJNHWAOVWTPV-FXQIFTODSA-N 1 0 243.263 -1.772 20 0 BAADRO COC(=O)N1CC([NH2+]CCC(=O)NC(N)=O)C1 ZINC000497122058 383899628 /nfs/dbraw/zinc/89/96/28/383899628.db2.gz AQXPADOZYQASPR-UHFFFAOYSA-N 1 0 244.251 -1.388 20 0 BAADRO CC[N@H+](CCO)Cc1cn(C)c(=O)n(C)c1=O ZINC000505872134 528553944 /nfs/dbraw/zinc/55/39/44/528553944.db2.gz KRZCWUUPKLTKTP-UHFFFAOYSA-N 1 0 241.291 -1.102 20 0 BAADRO C[C@@H]1CN(C(=O)C(=O)NC2C[NH2+]C2)C[C@H](C)O1 ZINC000514591955 387008489 /nfs/dbraw/zinc/00/84/89/387008489.db2.gz MTXMQXGIFUXEGO-OCAPTIKFSA-N 1 0 241.291 -1.290 20 0 BAADRO C[C@@H]([NH2+]C1CC1)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000514670221 387914204 /nfs/dbraw/zinc/91/42/04/387914204.db2.gz PFXBQSLGGXBDGF-APPZFPTMSA-N 1 0 241.291 -1.160 20 0 BAADRO C[C@H]([NH2+]C1CC1)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000514670229 398047194 /nfs/dbraw/zinc/04/71/94/398047194.db2.gz PFXBQSLGGXBDGF-CBAPKCEASA-N 1 0 241.291 -1.160 20 0 BAADRO C[C@H]([NH2+]C1CC1)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000514670232 398046484 /nfs/dbraw/zinc/04/64/84/398046484.db2.gz PFXBQSLGGXBDGF-IONNQARKSA-N 1 0 241.291 -1.160 20 0 BAADRO C[C@@H]([NH2+]C1CC1)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000514670234 398047284 /nfs/dbraw/zinc/04/72/84/398047284.db2.gz PFXBQSLGGXBDGF-VXNVDRBHSA-N 1 0 241.291 -1.160 20 0 BAADRO CCS(=O)(=O)NCC(=O)NC(C)(C)C[NH3+] ZINC000514673680 387923941 /nfs/dbraw/zinc/92/39/41/387923941.db2.gz QEADAZDETSCBGX-UHFFFAOYSA-N 1 0 237.325 -1.221 20 0 BAADRO CS(=O)(=O)NCCCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000514728521 387279300 /nfs/dbraw/zinc/27/93/00/387279300.db2.gz RAEOKGNMUUVQOP-OCAPTIKFSA-N 1 0 249.336 -1.221 20 0 BAADRO O=C(C[NH2+]CC1(O)CCCC1)NCCO ZINC000514790466 387293003 /nfs/dbraw/zinc/29/30/03/387293003.db2.gz WLJZGWGWIPYVFY-UHFFFAOYSA-N 1 0 216.281 -1.010 20 0 BAADRO COC(=O)[C@H]1CN(C(=O)C2([NH3+])CC2)CCO1 ZINC000514794774 387292928 /nfs/dbraw/zinc/29/29/28/387292928.db2.gz GDTMRGYGAXFSAG-SSDOTTSWSA-N 1 0 228.248 -1.122 20 0 BAADRO COC(=O)[C@@H]1CN(C(=O)C2([NH3+])CC2)CCO1 ZINC000514794776 387292193 /nfs/dbraw/zinc/29/21/93/387292193.db2.gz GDTMRGYGAXFSAG-ZETCQYMHSA-N 1 0 228.248 -1.122 20 0 BAADRO Cn1cnn(CC(=O)NCC2([NH3+])CCC2)c1=O ZINC000514860353 387297034 /nfs/dbraw/zinc/29/70/34/387297034.db2.gz DFNRFXUNYGQPOB-UHFFFAOYSA-N 1 0 239.279 -1.421 20 0 BAADRO CN(CC[NH3+])C(=O)CN1CCCNC1=O ZINC000514937016 387316046 /nfs/dbraw/zinc/31/60/46/387316046.db2.gz CHAXAVNQBAMMNJ-UHFFFAOYSA-N 1 0 214.269 -1.181 20 0 BAADRO CCOC[C@H](O)C[NH2+][C@@H](CO)CN(C)C ZINC000515061719 387329692 /nfs/dbraw/zinc/32/96/92/387329692.db2.gz YFXKMMKAWXEEQT-NXEZZACHSA-N 1 0 220.313 -1.104 20 0 BAADRO CCOC[C@@H](O)C[NH2+][C@H](CO)CN(C)C ZINC000515061732 387329941 /nfs/dbraw/zinc/32/99/41/387329941.db2.gz YFXKMMKAWXEEQT-UWVGGRQHSA-N 1 0 220.313 -1.104 20 0 BAADRO CCOC[C@H](O)C[NH2+][C@H](CO)CN(C)C ZINC000515061734 387330082 /nfs/dbraw/zinc/33/00/82/387330082.db2.gz YFXKMMKAWXEEQT-VHSXEESVSA-N 1 0 220.313 -1.104 20 0 BAADRO CCOC[C@@H](O)C[NH2+][C@@H](CO)CN(C)C ZINC000515061735 387329850 /nfs/dbraw/zinc/32/98/50/387329850.db2.gz YFXKMMKAWXEEQT-ZJUUUORDSA-N 1 0 220.313 -1.104 20 0 BAADRO CNC(=O)[C@@H](C)NC(=O)CCOC1C[NH2+]C1 ZINC000515165482 411273757 /nfs/dbraw/zinc/27/37/57/411273757.db2.gz LMUDMSLZCPQKQY-SSDOTTSWSA-N 1 0 229.280 -1.384 20 0 BAADRO CNC(=O)[C@H](C)NC(=O)CCOC1C[NH2+]C1 ZINC000515165483 411273917 /nfs/dbraw/zinc/27/39/17/411273917.db2.gz LMUDMSLZCPQKQY-ZETCQYMHSA-N 1 0 229.280 -1.384 20 0 BAADRO C[C@@H]1CN(C(=O)C(=O)NC2C[NH2+]C2)[C@H](C)CO1 ZINC000515187045 411274233 /nfs/dbraw/zinc/27/42/33/411274233.db2.gz MBBUKBFHOJFWFE-HTQZYQBOSA-N 1 0 241.291 -1.290 20 0 BAADRO C[C@@H]1CN(C(=O)C(=O)NC2C[NH2+]C2)[C@@H](C)CO1 ZINC000515187046 411273667 /nfs/dbraw/zinc/27/36/67/411273667.db2.gz MBBUKBFHOJFWFE-JGVFFNPUSA-N 1 0 241.291 -1.290 20 0 BAADRO C[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000515187047 411274019 /nfs/dbraw/zinc/27/40/19/411274019.db2.gz MBBUKBFHOJFWFE-SFYZADRCSA-N 1 0 241.291 -1.290 20 0 BAADRO C[C@H]1CN(C(=O)C(=O)NC2C[NH2+]C2)[C@@H](C)CO1 ZINC000515187048 411274225 /nfs/dbraw/zinc/27/42/25/411274225.db2.gz MBBUKBFHOJFWFE-YUMQZZPRSA-N 1 0 241.291 -1.290 20 0 BAADRO CC[N@H+](C)C[C@@H](O)CN1CCNC(=O)C1 ZINC000515282824 387357065 /nfs/dbraw/zinc/35/70/65/387357065.db2.gz IAFAGISGRMWXMO-SECBINFHSA-N 1 0 215.297 -1.269 20 0 BAADRO CC[N@H+](C)C[C@H](O)CN1CCNC(=O)C1 ZINC000515282829 387355779 /nfs/dbraw/zinc/35/57/79/387355779.db2.gz IAFAGISGRMWXMO-VIFPVBQESA-N 1 0 215.297 -1.269 20 0 BAADRO C[NH+](C)[C@H]1CN(CC(=O)NC(N)=O)C[C@@H]1O ZINC000515282881 387356192 /nfs/dbraw/zinc/35/61/92/387356192.db2.gz LZJZOUJDPHONNO-BQBZGAKWSA-N 1 0 230.268 -2.212 20 0 BAADRO CC(=O)N[C@H](C)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000515299189 387360844 /nfs/dbraw/zinc/36/08/44/387360844.db2.gz QTGVBUXWSBWZKH-PSASIEDQSA-N 1 0 242.323 -1.388 20 0 BAADRO CC(=O)N[C@H](C)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000515299190 387361420 /nfs/dbraw/zinc/36/14/20/387361420.db2.gz QTGVBUXWSBWZKH-SCZZXKLOSA-N 1 0 242.323 -1.388 20 0 BAADRO CC(=O)N[C@@H](C)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000515299191 387360970 /nfs/dbraw/zinc/36/09/70/387360970.db2.gz QTGVBUXWSBWZKH-WCBMZHEXSA-N 1 0 242.323 -1.388 20 0 BAADRO CC(=O)N[C@@H](C)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000515299192 387361321 /nfs/dbraw/zinc/36/13/21/387361321.db2.gz QTGVBUXWSBWZKH-WPRPVWTQSA-N 1 0 242.323 -1.388 20 0 BAADRO CSCCN(C)C(=O)C(=O)NC1C[NH2+]C1 ZINC000515622086 256751912 /nfs/dbraw/zinc/75/19/12/256751912.db2.gz UGFNAWDCZHBYMG-UHFFFAOYSA-N 1 0 231.321 -1.104 20 0 BAADRO CC[NH2+]CCCNC(=O)Cn1ncn(C)c1=O ZINC000515646239 387407449 /nfs/dbraw/zinc/40/74/49/387407449.db2.gz SCYMIVNQKJKDQC-UHFFFAOYSA-N 1 0 241.295 -1.302 20 0 BAADRO C[NH2+][C@@H](C)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000515670880 387411088 /nfs/dbraw/zinc/41/10/88/387411088.db2.gz ZQFXDYCNHCHMKO-JGVFFNPUSA-N 1 0 249.336 -1.256 20 0 BAADRO C[NH2+][C@@H](C)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000515670882 387411176 /nfs/dbraw/zinc/41/11/76/387411176.db2.gz ZQFXDYCNHCHMKO-YUMQZZPRSA-N 1 0 249.336 -1.256 20 0 BAADRO COC(=O)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)OC ZINC000515837802 387432780 /nfs/dbraw/zinc/43/27/80/387432780.db2.gz DGSVCOCENMTWJB-WDSKDSINSA-N 1 0 232.236 -1.446 20 0 BAADRO CN(C)S(=O)(=O)CC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000515841903 387433415 /nfs/dbraw/zinc/43/34/15/387433415.db2.gz GFYYQAKSYDLAPG-MRVPVSSYSA-N 1 0 249.336 -1.173 20 0 BAADRO CC[N@H+](CCO)CCNC(=O)c1cn(C)nn1 ZINC000516117632 387466113 /nfs/dbraw/zinc/46/61/13/387466113.db2.gz JONFMQBCCWUFNL-UHFFFAOYSA-N 1 0 241.295 -1.141 20 0 BAADRO C[C@@H]([NH3+])CN1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000516182870 387469093 /nfs/dbraw/zinc/46/90/93/387469093.db2.gz XCZUZBCYXRDGSG-HTQZYQBOSA-N 1 0 226.280 -2.024 20 0 BAADRO C[C@H]([NH3+])CN1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000516182871 387469230 /nfs/dbraw/zinc/46/92/30/387469230.db2.gz XCZUZBCYXRDGSG-JGVFFNPUSA-N 1 0 226.280 -2.024 20 0 BAADRO C[C@@H]([NH3+])CN1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000516182872 387467698 /nfs/dbraw/zinc/46/76/98/387467698.db2.gz XCZUZBCYXRDGSG-SFYZADRCSA-N 1 0 226.280 -2.024 20 0 BAADRO C[C@H]([NH3+])CN1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000516182873 387469100 /nfs/dbraw/zinc/46/91/00/387469100.db2.gz XCZUZBCYXRDGSG-YUMQZZPRSA-N 1 0 226.280 -2.024 20 0 BAADRO CC[C@@H]1COCCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000516264420 387489854 /nfs/dbraw/zinc/48/98/54/387489854.db2.gz NGYZEWBBZLORFA-SECBINFHSA-N 1 0 241.291 -1.288 20 0 BAADRO CC[C@H]1COCCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000516264421 256771854 /nfs/dbraw/zinc/77/18/54/256771854.db2.gz NGYZEWBBZLORFA-VIFPVBQESA-N 1 0 241.291 -1.288 20 0 BAADRO COCCN1CCN(C(=O)C[NH3+])CC1=O ZINC000516293534 387496525 /nfs/dbraw/zinc/49/65/25/387496525.db2.gz JBIRFDWBBAEGJW-UHFFFAOYSA-N 1 0 215.253 -1.738 20 0 BAADRO CC[S@](=O)CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000516313209 387493085 /nfs/dbraw/zinc/49/30/85/387493085.db2.gz NPIUMQLMLOMXDZ-BEPCFFQHSA-N 1 0 248.348 -1.112 20 0 BAADRO CC[S@@](=O)CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000516313210 387492398 /nfs/dbraw/zinc/49/23/98/387492398.db2.gz NPIUMQLMLOMXDZ-OMQMVUIESA-N 1 0 248.348 -1.112 20 0 BAADRO Cn1cnn(CC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1=O ZINC000516569546 388349028 /nfs/dbraw/zinc/34/90/28/388349028.db2.gz SQXLPGIDLUJNPE-QMSLJYSESA-N 1 0 237.263 -2.084 20 0 BAADRO C[NH2+]CCCN(C)C(=O)CN1CC(=O)NC1=O ZINC000516569637 256792913 /nfs/dbraw/zinc/79/29/13/256792913.db2.gz YABSXAMQPRLMDJ-UHFFFAOYSA-N 1 0 242.279 -1.394 20 0 BAADRO COC[C@H](O)C[NH2+][C@@H](CO)CN1CCOCC1 ZINC000516569754 388349037 /nfs/dbraw/zinc/34/90/37/388349037.db2.gz FYPPDYZWXWOKMW-GHMZBOCLSA-N 1 0 248.323 -1.724 20 0 BAADRO COC[C@H](O)C[NH2+][C@H](CO)CN1CCOCC1 ZINC000516569755 388349225 /nfs/dbraw/zinc/34/92/25/388349225.db2.gz FYPPDYZWXWOKMW-WDEREUQCSA-N 1 0 248.323 -1.724 20 0 BAADRO COC(=O)[C@H]1CN(C(=O)CC[NH3+])CCO1 ZINC000516578363 388354720 /nfs/dbraw/zinc/35/47/20/388354720.db2.gz IOSFZSORTRVFMT-SSDOTTSWSA-N 1 0 216.237 -1.264 20 0 BAADRO COC(=O)[C@@H]1CN(C(=O)CC[NH3+])CCO1 ZINC000516578364 256794348 /nfs/dbraw/zinc/79/43/48/256794348.db2.gz IOSFZSORTRVFMT-ZETCQYMHSA-N 1 0 216.237 -1.264 20 0 BAADRO CNC(=O)NCC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000516603716 256795738 /nfs/dbraw/zinc/79/57/38/256795738.db2.gz HADBJLOHOKHCCY-YUMQZZPRSA-N 1 0 244.295 -1.951 20 0 BAADRO C[NH2+]CCN(C)C(=O)CN(C)C(=O)COC ZINC000516649334 323088677 /nfs/dbraw/zinc/08/86/77/323088677.db2.gz IUXOUBKLHHWFJL-UHFFFAOYSA-N 1 0 231.296 -1.231 20 0 BAADRO CN(CC[NH3+])C(=O)CN1CCNCC1=O ZINC000516650451 385009512 /nfs/dbraw/zinc/00/95/12/385009512.db2.gz YANGGTPTHPJDAQ-UHFFFAOYSA-N 1 0 214.269 -2.165 20 0 BAADRO COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)CC[NH3+] ZINC000516652187 259367686 /nfs/dbraw/zinc/36/76/86/259367686.db2.gz VBWFZQHSJSBJKH-APPZFPTMSA-N 1 0 230.264 -1.140 20 0 BAADRO COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)CC[NH3+] ZINC000516652188 259367713 /nfs/dbraw/zinc/36/77/13/259367713.db2.gz VBWFZQHSJSBJKH-CBAPKCEASA-N 1 0 230.264 -1.140 20 0 BAADRO COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)CC[NH3+] ZINC000516652189 259367613 /nfs/dbraw/zinc/36/76/13/259367613.db2.gz VBWFZQHSJSBJKH-IONNQARKSA-N 1 0 230.264 -1.140 20 0 BAADRO COC(=O)[C@H]1[C@H](O)CCCN1C(=O)CC[NH3+] ZINC000516652190 259367712 /nfs/dbraw/zinc/36/77/12/259367712.db2.gz VBWFZQHSJSBJKH-VXNVDRBHSA-N 1 0 230.264 -1.140 20 0 BAADRO NC(=O)NC(=O)CN1CC[NH2+]C[C@@H]1C(F)F ZINC000516771054 384852097 /nfs/dbraw/zinc/85/20/97/384852097.db2.gz ZYJBZXPCSXDAOF-RXMQYKEDSA-N 1 0 236.222 -1.280 20 0 BAADRO NC(=O)NC(=O)CN1CC[NH2+]C[C@H]1C(F)F ZINC000516771058 384850198 /nfs/dbraw/zinc/85/01/98/384850198.db2.gz ZYJBZXPCSXDAOF-YFKPBYRVSA-N 1 0 236.222 -1.280 20 0 BAADRO C[C@]1(C(N)=O)CC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000516781293 388516883 /nfs/dbraw/zinc/51/68/83/388516883.db2.gz HHCCEHARYFUGSJ-LDWIPMOCSA-N 1 0 225.248 -1.401 20 0 BAADRO C[C@@]1(C(N)=O)CC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000516781299 388517491 /nfs/dbraw/zinc/51/74/91/388517491.db2.gz HHCCEHARYFUGSJ-LHLIQPBNSA-N 1 0 225.248 -1.401 20 0 BAADRO C[C@@]1(C(N)=O)CC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000516781300 388517329 /nfs/dbraw/zinc/51/73/29/388517329.db2.gz HHCCEHARYFUGSJ-QUBYGPBYSA-N 1 0 225.248 -1.401 20 0 BAADRO C[C@]1(C(N)=O)CC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000516781301 388516908 /nfs/dbraw/zinc/51/69/08/388516908.db2.gz HHCCEHARYFUGSJ-WKEGUHRASA-N 1 0 225.248 -1.401 20 0 BAADRO CCS(=O)(=O)NCC(=O)N1CC[NH2+][C@H](C)C1 ZINC000516865529 388521324 /nfs/dbraw/zinc/52/13/24/388521324.db2.gz NCORYPBRPYQFIJ-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO C[C@H](NC(=O)CCOC1C[NH2+]C1)C(=O)N(C)C ZINC000516865672 322921709 /nfs/dbraw/zinc/92/17/09/322921709.db2.gz BWMPTTLHZAWTHU-QMMMGPOBSA-N 1 0 243.307 -1.042 20 0 BAADRO COC(=O)c1cn(CC(=O)NCCC[NH3+])nn1 ZINC000516927202 388524739 /nfs/dbraw/zinc/52/47/39/388524739.db2.gz CEBAYFMAPVOQOW-UHFFFAOYSA-N 1 0 241.251 -1.470 20 0 BAADRO CNS(=O)(=O)CC(=O)NCCC[NH2+]C1CC1 ZINC000516928249 388526293 /nfs/dbraw/zinc/52/62/93/388526293.db2.gz MOSHIHRDLZKWTA-UHFFFAOYSA-N 1 0 249.336 -1.206 20 0 BAADRO COCC(=O)N(C)CC(=O)N[C@H](C)C[NH3+] ZINC000516969360 256808817 /nfs/dbraw/zinc/80/88/17/256808817.db2.gz AMUGTZKCCPTIQN-SSDOTTSWSA-N 1 0 217.269 -1.445 20 0 BAADRO CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000516970922 388529722 /nfs/dbraw/zinc/52/97/22/388529722.db2.gz KKLKOYMJKBHPMH-MTBHXBHISA-N 1 0 211.265 -1.153 20 0 BAADRO CN(CC[NH3+])S(=O)(=O)c1ccn(C)n1 ZINC000517029923 388533859 /nfs/dbraw/zinc/53/38/59/388533859.db2.gz JTTCPFPMIHZRDL-UHFFFAOYSA-N 1 0 218.282 -1.001 20 0 BAADRO CC[C@@H]([NH3+])C(=O)N1CCO[C@@H](C(=O)NC)C1 ZINC000517140229 388539845 /nfs/dbraw/zinc/53/98/45/388539845.db2.gz RVNPGTSQPHONAO-HTQZYQBOSA-N 1 0 229.280 -1.303 20 0 BAADRO CC[C@@H]([NH3+])C(=O)N1CCO[C@H](C(=O)NC)C1 ZINC000517140241 256816316 /nfs/dbraw/zinc/81/63/16/256816316.db2.gz RVNPGTSQPHONAO-SFYZADRCSA-N 1 0 229.280 -1.303 20 0 BAADRO CNS(=O)(=O)CC[NH2+]C[C@@H](O)CSC ZINC000517362090 388547676 /nfs/dbraw/zinc/54/76/76/388547676.db2.gz YWGJAGCAWFDUEJ-SSDOTTSWSA-N 1 0 242.366 -1.151 20 0 BAADRO CNS(=O)(=O)CC[NH2+]C[C@H](O)CSC ZINC000517362091 388548034 /nfs/dbraw/zinc/54/80/34/388548034.db2.gz YWGJAGCAWFDUEJ-ZETCQYMHSA-N 1 0 242.366 -1.151 20 0 BAADRO C[NH2+][C@@H](C)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000517392000 388549956 /nfs/dbraw/zinc/54/99/56/388549956.db2.gz YYOKBUMOEXCLCZ-ZETCQYMHSA-N 1 0 239.279 -1.136 20 0 BAADRO C[NH2+]CCC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000517563341 388553118 /nfs/dbraw/zinc/55/31/18/388553118.db2.gz QPFMYYURAHEINK-UHFFFAOYSA-N 1 0 239.279 -1.135 20 0 BAADRO COC(=O)[C@@H](O)C[NH2+]C[C@H](O)CSC ZINC000517567551 388554150 /nfs/dbraw/zinc/55/41/50/388554150.db2.gz LMEZXQPOBJRPQC-BQBZGAKWSA-N 1 0 223.294 -1.166 20 0 BAADRO COC(=O)[C@@H](O)C[NH2+]C[C@@H](O)CSC ZINC000517567552 388554636 /nfs/dbraw/zinc/55/46/36/388554636.db2.gz LMEZXQPOBJRPQC-RQJHMYQMSA-N 1 0 223.294 -1.166 20 0 BAADRO C[C@@H](O)CCN(C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000517587381 388555541 /nfs/dbraw/zinc/55/55/41/388555541.db2.gz BSFMSJGWRAWAQX-BDAKNGLRSA-N 1 0 243.307 -1.306 20 0 BAADRO C[C@H](O)CCN(C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000517587383 388555516 /nfs/dbraw/zinc/55/55/16/388555516.db2.gz BSFMSJGWRAWAQX-IUCAKERBSA-N 1 0 243.307 -1.306 20 0 BAADRO C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CN(C)NC2=O)C1 ZINC000517756212 259322815 /nfs/dbraw/zinc/32/28/15/259322815.db2.gz DIFXXSQGOOLROS-BDAKNGLRSA-N 1 0 240.307 -1.210 20 0 BAADRO C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C)NC2=O)C1 ZINC000517756213 259322693 /nfs/dbraw/zinc/32/26/93/259322693.db2.gz DIFXXSQGOOLROS-DTWKUNHWSA-N 1 0 240.307 -1.210 20 0 BAADRO C[C@H]1CC[N@H+](CC(=O)N[C@H]2CN(C)NC2=O)C1 ZINC000517756214 259323072 /nfs/dbraw/zinc/32/30/72/259323072.db2.gz DIFXXSQGOOLROS-IUCAKERBSA-N 1 0 240.307 -1.210 20 0 BAADRO C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C)NC2=O)C1 ZINC000517756215 259322632 /nfs/dbraw/zinc/32/26/32/259322632.db2.gz DIFXXSQGOOLROS-RKDXNWHRSA-N 1 0 240.307 -1.210 20 0 BAADRO CCS(=O)(=O)NCC(=O)N(C)[C@H](C)C[NH3+] ZINC000518180211 398282203 /nfs/dbraw/zinc/28/22/03/398282203.db2.gz LTJXSDPCTFTEFM-SSDOTTSWSA-N 1 0 237.325 -1.269 20 0 BAADRO CCS(=O)(=O)NCC(=O)N(C)[C@@H](C)C[NH3+] ZINC000518180230 398282397 /nfs/dbraw/zinc/28/23/97/398282397.db2.gz LTJXSDPCTFTEFM-ZETCQYMHSA-N 1 0 237.325 -1.269 20 0 BAADRO CS[C@@H](C)CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000518347745 384970723 /nfs/dbraw/zinc/97/07/23/384970723.db2.gz YZLSIDLFKHLXHI-LURJTMIESA-N 1 0 231.321 -1.058 20 0 BAADRO CS[C@H](C)CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000518347749 384971350 /nfs/dbraw/zinc/97/13/50/384971350.db2.gz YZLSIDLFKHLXHI-ZCFIWIBFSA-N 1 0 231.321 -1.058 20 0 BAADRO CCS(=O)(=O)NCC(=O)N1CC[C@H]([NH3+])C1 ZINC000518371787 256568640 /nfs/dbraw/zinc/56/86/40/256568640.db2.gz JJHSHKCMWGCKTP-ZETCQYMHSA-N 1 0 235.309 -1.515 20 0 BAADRO C[C@@H]1CC[N@H+](CC(=O)NCC(=O)NCCO)C1 ZINC000518393791 256570541 /nfs/dbraw/zinc/57/05/41/256570541.db2.gz JFDNDPHKYYNGRM-SECBINFHSA-N 1 0 243.307 -1.447 20 0 BAADRO C[C@H]1CC[N@H+](CC(=O)NCC(=O)NCCO)C1 ZINC000518393792 385041552 /nfs/dbraw/zinc/04/15/52/385041552.db2.gz JFDNDPHKYYNGRM-VIFPVBQESA-N 1 0 243.307 -1.447 20 0 BAADRO CN(C)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000518396890 385057934 /nfs/dbraw/zinc/05/79/34/385057934.db2.gz CIZRWOJLKZCIQA-HTQZYQBOSA-N 1 0 226.280 -1.088 20 0 BAADRO CN(C)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000518396893 385056728 /nfs/dbraw/zinc/05/67/28/385056728.db2.gz CIZRWOJLKZCIQA-JGVFFNPUSA-N 1 0 226.280 -1.088 20 0 BAADRO CN(C)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000518396894 385057154 /nfs/dbraw/zinc/05/71/54/385057154.db2.gz CIZRWOJLKZCIQA-SFYZADRCSA-N 1 0 226.280 -1.088 20 0 BAADRO CN(C)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000518396896 385058124 /nfs/dbraw/zinc/05/81/24/385058124.db2.gz CIZRWOJLKZCIQA-YUMQZZPRSA-N 1 0 226.280 -1.088 20 0 BAADRO C[NH2+]C[C@@H](C)CNC(=O)CN1CN=NC1=O ZINC000518530744 383990600 /nfs/dbraw/zinc/99/06/00/383990600.db2.gz CHNZORYMBUQEDS-SSDOTTSWSA-N 1 0 227.268 -1.045 20 0 BAADRO C[NH2+]C[C@H](C)CNC(=O)CN1CN=NC1=O ZINC000518530745 256578240 /nfs/dbraw/zinc/57/82/40/256578240.db2.gz CHNZORYMBUQEDS-ZETCQYMHSA-N 1 0 227.268 -1.045 20 0 BAADRO CN(C(=O)CN1CCNCC1=O)[C@@H]1CC[NH2+]C1 ZINC000518530755 256578485 /nfs/dbraw/zinc/57/84/85/256578485.db2.gz DGPWVGRGPQFCQN-SECBINFHSA-N 1 0 240.307 -1.762 20 0 BAADRO CN(C(=O)CN1CCNCC1=O)[C@H]1CC[NH2+]C1 ZINC000518530756 383989199 /nfs/dbraw/zinc/98/91/99/383989199.db2.gz DGPWVGRGPQFCQN-VIFPVBQESA-N 1 0 240.307 -1.762 20 0 BAADRO Nc1cnc(C(=O)NC[C@H]2C[NH2+]CCO2)cn1 ZINC000518532111 383988270 /nfs/dbraw/zinc/98/82/70/383988270.db2.gz WEUWLIWDEWEDRX-SSDOTTSWSA-N 1 0 237.263 -1.223 20 0 BAADRO Nc1cnc(C(=O)NC[C@@H]2C[NH2+]CCO2)cn1 ZINC000518532112 383987823 /nfs/dbraw/zinc/98/78/23/383987823.db2.gz WEUWLIWDEWEDRX-ZETCQYMHSA-N 1 0 237.263 -1.223 20 0 BAADRO COCCN1CCN(C(=O)[C@H](C)C[NH3+])CC1=O ZINC000518963536 386955694 /nfs/dbraw/zinc/95/56/94/386955694.db2.gz DJDBILYQCZPSKF-SECBINFHSA-N 1 0 243.307 -1.102 20 0 BAADRO COCCN1CCN(C(=O)[C@@H](C)C[NH3+])CC1=O ZINC000518963537 386956808 /nfs/dbraw/zinc/95/68/08/386956808.db2.gz DJDBILYQCZPSKF-VIFPVBQESA-N 1 0 243.307 -1.102 20 0 BAADRO COCC[NH2+]CC(=O)N[C@H](COC)C(=O)OC ZINC000518973446 386963040 /nfs/dbraw/zinc/96/30/40/386963040.db2.gz WTTHKXWRAMFWNC-MRVPVSSYSA-N 1 0 248.279 -1.473 20 0 BAADRO COCC[NH2+]CC(=O)N[C@@H](COC)C(=O)OC ZINC000518973447 386964791 /nfs/dbraw/zinc/96/47/91/386964791.db2.gz WTTHKXWRAMFWNC-QMMMGPOBSA-N 1 0 248.279 -1.473 20 0 BAADRO CC(C)COC[C@@H](O)C[NH2+]CC(=O)NCCO ZINC000518980025 256639942 /nfs/dbraw/zinc/63/99/42/256639942.db2.gz ZOCCKZBYYVHFGX-JTQLQIEISA-N 1 0 248.323 -1.282 20 0 BAADRO CC(C)COC[C@H](O)C[NH2+]CC(=O)NCCO ZINC000518980026 386967452 /nfs/dbraw/zinc/96/74/52/386967452.db2.gz ZOCCKZBYYVHFGX-SNVBAGLBSA-N 1 0 248.323 -1.282 20 0 BAADRO COC(=O)[C@H]1[C@H](O)CCCN1C(=O)[C@@H](C)[NH3+] ZINC000518980854 386969456 /nfs/dbraw/zinc/96/94/56/386969456.db2.gz QLRAAWDCCFUEPR-BWZBUEFSSA-N 1 0 230.264 -1.142 20 0 BAADRO COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)[C@@H](C)[NH3+] ZINC000518980855 386969145 /nfs/dbraw/zinc/96/91/45/386969145.db2.gz QLRAAWDCCFUEPR-CSMHCCOUSA-N 1 0 230.264 -1.142 20 0 BAADRO COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)[C@@H](C)[NH3+] ZINC000518980856 256640270 /nfs/dbraw/zinc/64/02/70/256640270.db2.gz QLRAAWDCCFUEPR-GJMOJQLCSA-N 1 0 230.264 -1.142 20 0 BAADRO COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)[C@@H](C)[NH3+] ZINC000518980857 386969686 /nfs/dbraw/zinc/96/96/86/386969686.db2.gz QLRAAWDCCFUEPR-PRJMDXOYSA-N 1 0 230.264 -1.142 20 0 BAADRO C[C@@]1(F)CNCCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000518982182 386969576 /nfs/dbraw/zinc/96/95/76/386969576.db2.gz PFEAAUZNWPXHGR-IQJOONFLSA-N 1 0 245.298 -1.131 20 0 BAADRO C[C@]1(F)CNCCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000518982183 386970136 /nfs/dbraw/zinc/97/01/36/386970136.db2.gz PFEAAUZNWPXHGR-NGZCFLSTSA-N 1 0 245.298 -1.131 20 0 BAADRO COC(=O)[C@@H]1COCCN1C(=O)[C@H](C)[NH3+] ZINC000519402887 386429931 /nfs/dbraw/zinc/42/99/31/386429931.db2.gz HOOGVCWTCBNKPV-BQBZGAKWSA-N 1 0 216.237 -1.266 20 0 BAADRO COC(=O)[C@H]1COCCN1C(=O)[C@H](C)[NH3+] ZINC000519402898 386431789 /nfs/dbraw/zinc/43/17/89/386431789.db2.gz HOOGVCWTCBNKPV-NKWVEPMBSA-N 1 0 216.237 -1.266 20 0 BAADRO C[NH2+]CCNC(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000519414043 323198459 /nfs/dbraw/zinc/19/84/59/323198459.db2.gz RJIBDEBGJCPBSP-UHFFFAOYSA-N 1 0 242.279 -2.377 20 0 BAADRO O=C(NC1=NCC(=O)N1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000519543277 256650687 /nfs/dbraw/zinc/65/06/87/256650687.db2.gz NXOQNCGWVAFEOR-RDDDGLTNSA-N 1 0 236.275 -1.022 20 0 BAADRO COC(=O)[C@H]1CNC(=O)CN1CCC[NH3+] ZINC000519552446 386486186 /nfs/dbraw/zinc/48/61/86/386486186.db2.gz WSKTVDZFWRHLNJ-SSDOTTSWSA-N 1 0 215.253 -1.691 20 0 BAADRO COC(=O)[C@@H]1CNC(=O)CN1CCC[NH3+] ZINC000519552466 386486665 /nfs/dbraw/zinc/48/66/65/386486665.db2.gz WSKTVDZFWRHLNJ-ZETCQYMHSA-N 1 0 215.253 -1.691 20 0 BAADRO CC(C)NS(=O)(=O)CC[NH2+]CCC(N)=O ZINC000519596003 386497531 /nfs/dbraw/zinc/49/75/31/386497531.db2.gz IXWZLGCXUDXAFP-UHFFFAOYSA-N 1 0 237.325 -1.221 20 0 BAADRO CO[C@H](C[NH3+])C(=O)N1CCCNC(=O)[C@H]1C ZINC000519596004 386498298 /nfs/dbraw/zinc/49/82/98/386498298.db2.gz GAKIHRURDIYGRX-HTQZYQBOSA-N 1 0 229.280 -1.303 20 0 BAADRO CO[C@H](C[NH3+])C(=O)N1CCCNC(=O)[C@@H]1C ZINC000519596010 386497460 /nfs/dbraw/zinc/49/74/60/386497460.db2.gz GAKIHRURDIYGRX-JGVFFNPUSA-N 1 0 229.280 -1.303 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)N1CCCNC(=O)[C@H]1C ZINC000519596011 386497555 /nfs/dbraw/zinc/49/75/55/386497555.db2.gz GAKIHRURDIYGRX-SFYZADRCSA-N 1 0 229.280 -1.303 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)N1CCCNC(=O)[C@@H]1C ZINC000519596013 386497445 /nfs/dbraw/zinc/49/74/45/386497445.db2.gz GAKIHRURDIYGRX-YUMQZZPRSA-N 1 0 229.280 -1.303 20 0 BAADRO C[C@@H]1CN(C(=O)C[NH2+]C(CO)CO)C[C@H](C)O1 ZINC000519605605 386503906 /nfs/dbraw/zinc/50/39/06/386503906.db2.gz JSAPFURCLRQUIV-DTORHVGOSA-N 1 0 246.307 -1.435 20 0 BAADRO C[C@H]1CN(C(=O)C[NH2+]C(CO)CO)C[C@H](C)O1 ZINC000519605621 386503648 /nfs/dbraw/zinc/50/36/48/386503648.db2.gz JSAPFURCLRQUIV-IUCAKERBSA-N 1 0 246.307 -1.435 20 0 BAADRO C[C@@H]1CN(C(=O)C[NH2+]C(CO)CO)C[C@@H](C)O1 ZINC000519605622 386502085 /nfs/dbraw/zinc/50/20/85/386502085.db2.gz JSAPFURCLRQUIV-RKDXNWHRSA-N 1 0 246.307 -1.435 20 0 BAADRO O=C(NC1=NCC(=O)N1)[C@@H]1CCC[NH2+]C1 ZINC000519640634 386513549 /nfs/dbraw/zinc/51/35/49/386513549.db2.gz CLQCSCFWGCUJDJ-ZCFIWIBFSA-N 1 0 210.237 -1.412 20 0 BAADRO COC(=O)[C@H]1COCCN1C(=O)[C@H](C)C[NH3+] ZINC000519644416 386510985 /nfs/dbraw/zinc/51/09/85/386510985.db2.gz XWWQIKFZHWKEAE-HTQZYQBOSA-N 1 0 230.264 -1.018 20 0 BAADRO COC(=O)[C@H]1COCCN1C(=O)[C@@H](C)C[NH3+] ZINC000519644463 386513760 /nfs/dbraw/zinc/51/37/60/386513760.db2.gz XWWQIKFZHWKEAE-JGVFFNPUSA-N 1 0 230.264 -1.018 20 0 BAADRO COC(=O)[C@@H]1COCCN1C(=O)[C@H](C)C[NH3+] ZINC000519644467 386514842 /nfs/dbraw/zinc/51/48/42/386514842.db2.gz XWWQIKFZHWKEAE-SFYZADRCSA-N 1 0 230.264 -1.018 20 0 BAADRO COC(=O)[C@@H]1COCCN1C(=O)[C@@H](C)C[NH3+] ZINC000519644472 386513811 /nfs/dbraw/zinc/51/38/11/386513811.db2.gz XWWQIKFZHWKEAE-YUMQZZPRSA-N 1 0 230.264 -1.018 20 0 BAADRO CCOC(=O)CN(CC(N)=O)C(=O)[C@H](C)[NH3+] ZINC000519652491 256654465 /nfs/dbraw/zinc/65/44/65/256654465.db2.gz QZJAAWGQQCBQPX-LURJTMIESA-N 1 0 231.252 -1.789 20 0 BAADRO CCOC(=O)CN(CC(N)=O)C(=O)[C@@H](C)[NH3+] ZINC000519652528 386520374 /nfs/dbraw/zinc/52/03/74/386520374.db2.gz QZJAAWGQQCBQPX-ZCFIWIBFSA-N 1 0 231.252 -1.789 20 0 BAADRO C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(N)=O)O2)CC[NH2+]1 ZINC000519716632 386532883 /nfs/dbraw/zinc/53/28/83/386532883.db2.gz YHQNDCLHFNUMOB-HLTSFMKQSA-N 1 0 241.291 -1.160 20 0 BAADRO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[NH2+]1 ZINC000519716677 386534461 /nfs/dbraw/zinc/53/44/61/386534461.db2.gz YHQNDCLHFNUMOB-HRDYMLBCSA-N 1 0 241.291 -1.160 20 0 BAADRO C[C@@H]1CN(C(=O)[C@H]2CC[C@H](C(N)=O)O2)CC[NH2+]1 ZINC000519716678 386534532 /nfs/dbraw/zinc/53/45/32/386534532.db2.gz YHQNDCLHFNUMOB-IWSPIJDZSA-N 1 0 241.291 -1.160 20 0 BAADRO C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C(N)=O)O2)CC[NH2+]1 ZINC000519716679 386534667 /nfs/dbraw/zinc/53/46/67/386534667.db2.gz YHQNDCLHFNUMOB-VGMNWLOBSA-N 1 0 241.291 -1.160 20 0 BAADRO C[NH2+]CCCN1CC[C@H](S(N)(=O)=O)C1 ZINC000519764643 256659299 /nfs/dbraw/zinc/65/92/99/256659299.db2.gz CHYZOTWZDKETIS-QMMMGPOBSA-N 1 0 221.326 -1.041 20 0 BAADRO CC1(C(N)=O)C[NH+](CCC(=O)NC(N)=O)C1 ZINC000519765986 386552925 /nfs/dbraw/zinc/55/29/25/386552925.db2.gz LKKWSPNYYCKGHD-UHFFFAOYSA-N 1 0 228.252 -1.621 20 0 BAADRO COCC(=O)N(C)CC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000519766186 256659498 /nfs/dbraw/zinc/65/94/98/256659498.db2.gz QXHBXEXGCLARRD-SECBINFHSA-N 1 0 243.307 -1.089 20 0 BAADRO COCC(=O)N(C)CC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000519766267 386552874 /nfs/dbraw/zinc/55/28/74/386552874.db2.gz QXHBXEXGCLARRD-VIFPVBQESA-N 1 0 243.307 -1.089 20 0 BAADRO COC[C@H](O)C[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000519823245 386562834 /nfs/dbraw/zinc/56/28/34/386562834.db2.gz MUVLCXFRFCWCFP-MRVPVSSYSA-N 1 0 242.279 -1.264 20 0 BAADRO Cn1ccc(S(=O)(=O)NCC[NH3+])n1 ZINC000519829344 386564811 /nfs/dbraw/zinc/56/48/11/386564811.db2.gz RUOBWALZLHYCPU-UHFFFAOYSA-N 1 0 204.255 -1.343 20 0 BAADRO C[C@H]1C[NH2+]CCN1C(=O)CS(=O)(=O)N(C)C ZINC000520404717 386667555 /nfs/dbraw/zinc/66/75/55/386667555.db2.gz MUZGACCCAUDIEJ-QMMMGPOBSA-N 1 0 249.336 -1.302 20 0 BAADRO CC[C@@H]([NH3+])C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000520806570 398210196 /nfs/dbraw/zinc/21/01/96/398210196.db2.gz WHVLOGIHUGADTR-HTQZYQBOSA-N 1 0 249.336 -1.126 20 0 BAADRO CC[C@@H]([NH3+])C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000520806571 398210228 /nfs/dbraw/zinc/21/02/28/398210228.db2.gz WHVLOGIHUGADTR-JGVFFNPUSA-N 1 0 249.336 -1.126 20 0 BAADRO C[C@@](O)(C[NH2+]CC(=O)NCCO)C(F)(F)F ZINC000520813133 324110318 /nfs/dbraw/zinc/11/03/18/324110318.db2.gz RQAIGYHJUBQZLF-SSDOTTSWSA-N 1 0 244.213 -1.002 20 0 BAADRO C[C@](O)(C[NH2+]CC(=O)NCCO)C(F)(F)F ZINC000520813134 324109973 /nfs/dbraw/zinc/10/99/73/324109973.db2.gz RQAIGYHJUBQZLF-ZETCQYMHSA-N 1 0 244.213 -1.002 20 0 BAADRO CCOC(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000520839747 388543192 /nfs/dbraw/zinc/54/31/92/388543192.db2.gz QZLDQUMNKXWQDQ-BDAKNGLRSA-N 1 0 241.291 -1.207 20 0 BAADRO CCOC(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000520839748 388543270 /nfs/dbraw/zinc/54/32/70/388543270.db2.gz QZLDQUMNKXWQDQ-DTWKUNHWSA-N 1 0 241.291 -1.207 20 0 BAADRO CCOC(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000520839749 388543413 /nfs/dbraw/zinc/54/34/13/388543413.db2.gz QZLDQUMNKXWQDQ-IUCAKERBSA-N 1 0 241.291 -1.207 20 0 BAADRO CCOC(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000520839750 388543066 /nfs/dbraw/zinc/54/30/66/388543066.db2.gz QZLDQUMNKXWQDQ-RKDXNWHRSA-N 1 0 241.291 -1.207 20 0 BAADRO C[C@@]1(O)CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000520841169 256823492 /nfs/dbraw/zinc/82/34/92/256823492.db2.gz HONRZUUGBYCFAH-GZMMTYOYSA-N 1 0 241.291 -1.552 20 0 BAADRO C[C@]1(O)CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000520841170 388546871 /nfs/dbraw/zinc/54/68/71/388546871.db2.gz HONRZUUGBYCFAH-KWQFWETISA-N 1 0 241.291 -1.552 20 0 BAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)CC[NH2+]1 ZINC000521039770 259303113 /nfs/dbraw/zinc/30/31/13/259303113.db2.gz PBSQZFDHWRGGRO-MRVPVSSYSA-N 1 0 239.279 -1.598 20 0 BAADRO O=C(CN1CN=NC1=O)N[C@@H]1CCC[NH2+]C1 ZINC000521041379 388559362 /nfs/dbraw/zinc/55/93/62/388559362.db2.gz GIBZMGCFDOHXTI-SSDOTTSWSA-N 1 0 225.252 -1.148 20 0 BAADRO CCN(CCO)CC[NH2+]CCC(=O)NC(N)=O ZINC000521044059 388560789 /nfs/dbraw/zinc/56/07/89/388560789.db2.gz PVYZHSOFRGDKRA-UHFFFAOYSA-N 1 0 246.311 -1.525 20 0 BAADRO C[NH2+]CC(=O)N1CCC[C@@H](O)[C@H]1C(=O)OC ZINC000521046197 322892333 /nfs/dbraw/zinc/89/23/33/322892333.db2.gz AFSQHCOGBOVSOW-APPZFPTMSA-N 1 0 230.264 -1.269 20 0 BAADRO C[NH2+]CC(=O)N1CCC[C@H](O)[C@H]1C(=O)OC ZINC000521046200 322892253 /nfs/dbraw/zinc/89/22/53/322892253.db2.gz AFSQHCOGBOVSOW-CBAPKCEASA-N 1 0 230.264 -1.269 20 0 BAADRO CC(C)NC(=O)NCC[NH+](CCO)CCO ZINC000521229745 386709954 /nfs/dbraw/zinc/70/99/54/386709954.db2.gz DDYZZPUBWWPUTJ-UHFFFAOYSA-N 1 0 233.312 -1.019 20 0 BAADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)NC1CCC1 ZINC000521272986 388567788 /nfs/dbraw/zinc/56/77/88/388567788.db2.gz IHFQASUDSBPEDD-SECBINFHSA-N 1 0 241.291 -1.240 20 0 BAADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)NC1CCC1 ZINC000521272987 256838556 /nfs/dbraw/zinc/83/85/56/256838556.db2.gz IHFQASUDSBPEDD-VIFPVBQESA-N 1 0 241.291 -1.240 20 0 BAADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)CN1CCCS1(=O)=O ZINC000521434159 259413590 /nfs/dbraw/zinc/41/35/90/259413590.db2.gz FFZXTAPJDZKBNZ-HTQZYQBOSA-N 1 0 249.336 -1.126 20 0 BAADRO C[C@@H](NC(=O)CN1CCCS1(=O)=O)[C@H](C)[NH3+] ZINC000521434160 259413386 /nfs/dbraw/zinc/41/33/86/259413386.db2.gz FFZXTAPJDZKBNZ-JGVFFNPUSA-N 1 0 249.336 -1.126 20 0 BAADRO C[C@@H]([NH3+])[C@H](C)NC(=O)CN1CCCS1(=O)=O ZINC000521434161 385829876 /nfs/dbraw/zinc/82/98/76/385829876.db2.gz FFZXTAPJDZKBNZ-SFYZADRCSA-N 1 0 249.336 -1.126 20 0 BAADRO C[C@H]([NH3+])[C@H](C)NC(=O)CN1CCCS1(=O)=O ZINC000521434162 385828891 /nfs/dbraw/zinc/82/88/91/385828891.db2.gz FFZXTAPJDZKBNZ-YUMQZZPRSA-N 1 0 249.336 -1.126 20 0 BAADRO CN(C)S(=O)(=O)CCC(=O)NCCC[NH3+] ZINC000521436505 259413758 /nfs/dbraw/zinc/41/37/58/259413758.db2.gz ZQGNXYPYUZQLJK-UHFFFAOYSA-N 1 0 237.325 -1.267 20 0 BAADRO [NH3+]CCN(CCO)CC(=O)NC[C@@H]1CCCO1 ZINC000521436977 349823400 /nfs/dbraw/zinc/82/34/00/349823400.db2.gz AYKWSRLHATYSMV-JTQLQIEISA-N 1 0 245.323 -1.465 20 0 BAADRO [NH3+]CCN(CCO)CC(=O)NC[C@H]1CCCO1 ZINC000521436978 349823651 /nfs/dbraw/zinc/82/36/51/349823651.db2.gz AYKWSRLHATYSMV-SNVBAGLBSA-N 1 0 245.323 -1.465 20 0 BAADRO CC1(C(=O)N2CC[C@@H](S(N)(=O)=O)C2)C[NH2+]C1 ZINC000521622308 388618763 /nfs/dbraw/zinc/61/87/63/388618763.db2.gz PQOHAHCGWMLZPA-SSDOTTSWSA-N 1 0 247.320 -1.515 20 0 BAADRO CC1(C(=O)N2CC[C@H](S(N)(=O)=O)C2)C[NH2+]C1 ZINC000521622314 388619284 /nfs/dbraw/zinc/61/92/84/388619284.db2.gz PQOHAHCGWMLZPA-ZETCQYMHSA-N 1 0 247.320 -1.515 20 0 BAADRO CN(CCNS(C)(=O)=O)C1CC([NH3+])C1 ZINC000521876001 388638631 /nfs/dbraw/zinc/63/86/31/388638631.db2.gz HOIZYCOKNNIJIF-UHFFFAOYSA-N 1 0 221.326 -1.043 20 0 BAADRO O=C(N[C@H]1CC[NH2+]C1)N1CCNC(=O)C1 ZINC000521905371 259558801 /nfs/dbraw/zinc/55/88/01/259558801.db2.gz DSNHBJKQEDKBLL-ZETCQYMHSA-N 1 0 212.253 -1.510 20 0 BAADRO COCCCNC(=O)C(=O)N(C)CCC[NH3+] ZINC000521905479 388641898 /nfs/dbraw/zinc/64/18/98/388641898.db2.gz OKRINIUPZIOVIR-UHFFFAOYSA-N 1 0 231.296 -1.054 20 0 BAADRO Cn1cnn(CC(=O)N2CCC[C@@H]([NH3+])C2)c1=O ZINC000521993591 388672659 /nfs/dbraw/zinc/67/26/59/388672659.db2.gz DRNMXTGXPGCTQW-MRVPVSSYSA-N 1 0 239.279 -1.469 20 0 BAADRO O=C(Cn1cnnn1)N[C@H]1C[NH2+]CCC1(F)F ZINC000522002130 388673695 /nfs/dbraw/zinc/67/36/95/388673695.db2.gz PPULNCVBLNDBGA-LURJTMIESA-N 1 0 246.221 -1.214 20 0 BAADRO O=C(Cn1cnnn1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000522002136 388673660 /nfs/dbraw/zinc/67/36/60/388673660.db2.gz PPULNCVBLNDBGA-ZCFIWIBFSA-N 1 0 246.221 -1.214 20 0 BAADRO C[N@@H+]1CC[C@@H](C(=O)NCCNS(C)(=O)=O)C1 ZINC000522138499 388702378 /nfs/dbraw/zinc/70/23/78/388702378.db2.gz RLYUJVJDKCFOKH-MRVPVSSYSA-N 1 0 249.336 -1.397 20 0 BAADRO C[N@@H+]1CC[C@H](C(=O)NCCNS(C)(=O)=O)C1 ZINC000522138500 388702657 /nfs/dbraw/zinc/70/26/57/388702657.db2.gz RLYUJVJDKCFOKH-QMMMGPOBSA-N 1 0 249.336 -1.397 20 0 BAADRO CC(=O)NCC(=O)NCCN1CCO[C@H](C)C1 ZINC000523777901 388859154 /nfs/dbraw/zinc/85/91/54/388859154.db2.gz YTZTWXYKCIRRJN-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO CC(=O)NCC(=O)NCCN1CCO[C@@H](C)C1 ZINC000523777902 388860098 /nfs/dbraw/zinc/86/00/98/388860098.db2.gz YTZTWXYKCIRRJN-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO CNS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC000525224815 388421387 /nfs/dbraw/zinc/42/13/87/388421387.db2.gz UWGYRCNHOPVBTO-HTQZYQBOSA-N 1 0 222.310 -1.009 20 0 BAADRO CNS(=O)(=O)[C@@H]1CC[N@H+](C[C@H](C)O)C1 ZINC000525224816 388421668 /nfs/dbraw/zinc/42/16/68/388421668.db2.gz UWGYRCNHOPVBTO-JGVFFNPUSA-N 1 0 222.310 -1.009 20 0 BAADRO CNS(=O)(=O)[C@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC000525224817 388421356 /nfs/dbraw/zinc/42/13/56/388421356.db2.gz UWGYRCNHOPVBTO-SFYZADRCSA-N 1 0 222.310 -1.009 20 0 BAADRO CNS(=O)(=O)[C@H]1CC[N@H+](C[C@H](C)O)C1 ZINC000525224818 388421160 /nfs/dbraw/zinc/42/11/60/388421160.db2.gz UWGYRCNHOPVBTO-YUMQZZPRSA-N 1 0 222.310 -1.009 20 0 BAADRO C[C@H](C[NH+]1CCOCC1)C(=O)NC(CO)CO ZINC000526946395 386705935 /nfs/dbraw/zinc/70/59/35/386705935.db2.gz OGFNMFGIFTZGEN-SECBINFHSA-N 1 0 246.307 -1.576 20 0 BAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NC(CO)CO ZINC000526946397 386706912 /nfs/dbraw/zinc/70/69/12/386706912.db2.gz OGFNMFGIFTZGEN-VIFPVBQESA-N 1 0 246.307 -1.576 20 0 BAADRO CNS(=O)(=O)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000527137195 262821638 /nfs/dbraw/zinc/82/16/38/262821638.db2.gz IMDFPIBHXGGGNZ-MRVPVSSYSA-N 1 0 249.336 -1.397 20 0 BAADRO CNS(=O)(=O)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000527137196 387493119 /nfs/dbraw/zinc/49/31/19/387493119.db2.gz IMDFPIBHXGGGNZ-QMMMGPOBSA-N 1 0 249.336 -1.397 20 0 BAADRO O=C(NC(CO)CO)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000527486644 387578578 /nfs/dbraw/zinc/57/85/78/387578578.db2.gz PEOJEGXJJQCBQI-JTQLQIEISA-N 1 0 243.307 -2.154 20 0 BAADRO O=C(NC(CO)CO)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000527486645 387579148 /nfs/dbraw/zinc/57/91/48/387579148.db2.gz PEOJEGXJJQCBQI-SNVBAGLBSA-N 1 0 243.307 -2.154 20 0 BAADRO O[C@@H](C[N@H+]1C[C@@H](O)[C@@H](O)C1)CC1(O)CCC1 ZINC000528400745 387596470 /nfs/dbraw/zinc/59/64/70/387596470.db2.gz QXWADNODYJPOHI-BBBLOLIVSA-N 1 0 231.292 -1.310 20 0 BAADRO O[C@H](C[N@H+]1C[C@@H](O)[C@@H](O)C1)CC1(O)CCC1 ZINC000528400746 387597346 /nfs/dbraw/zinc/59/73/46/387597346.db2.gz QXWADNODYJPOHI-LPEHRKFASA-N 1 0 231.292 -1.310 20 0 BAADRO O[C@H](C[NH+]1C[C@H](O)[C@@H](O)C1)CC1(O)CCC1 ZINC000528610534 388551694 /nfs/dbraw/zinc/55/16/94/388551694.db2.gz QXWADNODYJPOHI-GUBZILKMSA-N 1 0 231.292 -1.310 20 0 BAADRO O[C@@H](C[NH+]1C[C@H](O)[C@@H](O)C1)CC1(O)CCC1 ZINC000528610536 388551344 /nfs/dbraw/zinc/55/13/44/388551344.db2.gz QXWADNODYJPOHI-UTLUCORTSA-N 1 0 231.292 -1.310 20 0 BAADRO COC[C@@H](C)[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000528633993 388553972 /nfs/dbraw/zinc/55/39/72/388553972.db2.gz JUUONSIZYAEJKX-PRJMDXOYSA-N 1 0 202.254 -1.058 20 0 BAADRO COC[C@H](C)[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000528633999 388553538 /nfs/dbraw/zinc/55/35/38/388553538.db2.gz JUUONSIZYAEJKX-RNJXMRFFSA-N 1 0 202.254 -1.058 20 0 BAADRO Cc1noc(NC(=O)NC[C@@H]2COCC[NH2+]2)n1 ZINC000528685398 388558551 /nfs/dbraw/zinc/55/85/51/388558551.db2.gz FGNGQARSXOONPW-SSDOTTSWSA-N 1 0 241.251 -1.090 20 0 BAADRO Cc1noc(NC(=O)NC[C@H]2COCC[NH2+]2)n1 ZINC000528685404 388558897 /nfs/dbraw/zinc/55/88/97/388558897.db2.gz FGNGQARSXOONPW-ZETCQYMHSA-N 1 0 241.251 -1.090 20 0 BAADRO CN1CCC[C@@H](NC(=O)NCC[NH3+])C1=O ZINC000529327435 324274224 /nfs/dbraw/zinc/27/42/24/324274224.db2.gz AWYQKIXLHRSSPK-SSDOTTSWSA-N 1 0 214.269 -1.135 20 0 BAADRO CN1CCC[C@H](NC(=O)NCC[NH3+])C1=O ZINC000529327436 324274529 /nfs/dbraw/zinc/27/45/29/324274529.db2.gz AWYQKIXLHRSSPK-ZETCQYMHSA-N 1 0 214.269 -1.135 20 0 BAADRO O=C(NC(CO)CO)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529361982 324280149 /nfs/dbraw/zinc/28/01/49/324280149.db2.gz QSMVGPFTJXUALS-SECBINFHSA-N 1 0 243.307 -1.077 20 0 BAADRO O=C(NC(CO)CO)N[C@H]1CC[NH2+]C12CCC2 ZINC000529361984 324280331 /nfs/dbraw/zinc/28/03/31/324280331.db2.gz QSMVGPFTJXUALS-VIFPVBQESA-N 1 0 243.307 -1.077 20 0 BAADRO CN1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529371663 324281219 /nfs/dbraw/zinc/28/12/19/324281219.db2.gz FMKRCZCELPTJNG-JTQLQIEISA-N 1 0 242.323 -1.068 20 0 BAADRO CN1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529371664 324281301 /nfs/dbraw/zinc/28/13/01/324281301.db2.gz FMKRCZCELPTJNG-SNVBAGLBSA-N 1 0 242.323 -1.068 20 0 BAADRO O=C(NC[C@@H]1COCC[NH2+]1)N1CCNC(=O)C1 ZINC000529372159 324281016 /nfs/dbraw/zinc/28/10/16/324281016.db2.gz DUMSJDPEZOMLSO-MRVPVSSYSA-N 1 0 242.279 -1.884 20 0 BAADRO O=C(NC[C@H]1COCC[NH2+]1)N1CCNC(=O)C1 ZINC000529372172 324281581 /nfs/dbraw/zinc/28/15/81/324281581.db2.gz DUMSJDPEZOMLSO-QMMMGPOBSA-N 1 0 242.279 -1.884 20 0 BAADRO O=C(NC[C@@H]1COCC[NH2+]1)N[C@H]1C[C@@H](O)C1 ZINC000529376418 324282252 /nfs/dbraw/zinc/28/22/52/324282252.db2.gz CYFXSKHBVGMCFJ-HLTSFMKQSA-N 1 0 229.280 -1.203 20 0 BAADRO O=C(NC[C@H]1COCC[NH2+]1)N[C@H]1C[C@@H](O)C1 ZINC000529376419 324282089 /nfs/dbraw/zinc/28/20/89/324282089.db2.gz CYFXSKHBVGMCFJ-XHNCKOQMSA-N 1 0 229.280 -1.203 20 0 BAADRO O=C(NC[C@H]1COCC[NH2+]1)N[C@@H]1COC[C@H]1O ZINC000529387684 324285555 /nfs/dbraw/zinc/28/55/55/324285555.db2.gz LQLAKGFFZQYJSC-DJLDLDEBSA-N 1 0 245.279 -1.966 20 0 BAADRO O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1COC[C@H]1O ZINC000529387689 324284962 /nfs/dbraw/zinc/28/49/62/324284962.db2.gz LQLAKGFFZQYJSC-IWSPIJDZSA-N 1 0 245.279 -1.966 20 0 BAADRO CN1CCC[C@@H]1C(=O)N1C[C@H](O)C[C@H]1C(N)=O ZINC000529777731 324395700 /nfs/dbraw/zinc/39/57/00/324395700.db2.gz ADXYKYJYJLMADP-HLTSFMKQSA-N 1 0 241.291 -1.472 20 0 BAADRO CN1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(N)=O ZINC000529777738 324395495 /nfs/dbraw/zinc/39/54/95/324395495.db2.gz ADXYKYJYJLMADP-VGMNWLOBSA-N 1 0 241.291 -1.472 20 0 BAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)C[C@H]1C(N)=O ZINC000529779917 324396253 /nfs/dbraw/zinc/39/62/53/324396253.db2.gz PGUFTCFBJSGCPU-BDAKNGLRSA-N 1 0 243.307 -1.225 20 0 BAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)C[C@H]1C(N)=O ZINC000529780081 324396148 /nfs/dbraw/zinc/39/61/48/324396148.db2.gz KNTXGAIJEQABMP-BDAKNGLRSA-N 1 0 243.307 -1.225 20 0 BAADRO CC[C@H](C(=O)N1C[C@H](O)C[C@H]1C(N)=O)[NH+](C)C ZINC000529781112 324396191 /nfs/dbraw/zinc/39/61/91/324396191.db2.gz ZWDJGAJVTRKHTI-HLTSFMKQSA-N 1 0 243.307 -1.226 20 0 BAADRO CC[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(N)=O)[NH+](C)C ZINC000529781113 324395188 /nfs/dbraw/zinc/39/51/88/324395188.db2.gz ZWDJGAJVTRKHTI-VGMNWLOBSA-N 1 0 243.307 -1.226 20 0 BAADRO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)C[C@H]1C(N)=O ZINC000529781464 324396218 /nfs/dbraw/zinc/39/62/18/324396218.db2.gz SUDJEMIJOGVYBP-BDAKNGLRSA-N 1 0 243.307 -1.226 20 0 BAADRO CNC(=O)NC[C@@H]1CN(CCC[NH3+])CCO1 ZINC000530230082 388637235 /nfs/dbraw/zinc/63/72/35/388637235.db2.gz CLPSVBUAINRKJC-SECBINFHSA-N 1 0 230.312 -1.035 20 0 BAADRO CNC(=O)NC[C@H]1CN(CCC[NH3+])CCO1 ZINC000530230093 388637272 /nfs/dbraw/zinc/63/72/72/388637272.db2.gz CLPSVBUAINRKJC-VIFPVBQESA-N 1 0 230.312 -1.035 20 0 BAADRO CNC(=O)NC[C@H]1CN(C[C@@H](C)[NH3+])CCO1 ZINC000530230710 388637192 /nfs/dbraw/zinc/63/71/92/388637192.db2.gz IRPQALQYHCRPLN-BDAKNGLRSA-N 1 0 230.312 -1.037 20 0 BAADRO CNC(=O)NC[C@@H]1CN(C[C@H](C)[NH3+])CCO1 ZINC000530230711 388637141 /nfs/dbraw/zinc/63/71/41/388637141.db2.gz IRPQALQYHCRPLN-DTWKUNHWSA-N 1 0 230.312 -1.037 20 0 BAADRO CNC(=O)NC[C@H]1CN(C[C@H](C)[NH3+])CCO1 ZINC000530230712 324549474 /nfs/dbraw/zinc/54/94/74/324549474.db2.gz IRPQALQYHCRPLN-IUCAKERBSA-N 1 0 230.312 -1.037 20 0 BAADRO CNC(=O)NC[C@@H]1CN(C[C@@H](C)[NH3+])CCO1 ZINC000530230713 324548526 /nfs/dbraw/zinc/54/85/26/324548526.db2.gz IRPQALQYHCRPLN-RKDXNWHRSA-N 1 0 230.312 -1.037 20 0 BAADRO CNC(=O)NC[C@@H]1CN(CC[NH3+])CCO1 ZINC000530232476 388636903 /nfs/dbraw/zinc/63/69/03/388636903.db2.gz ZVYVOBCAHBHTDF-MRVPVSSYSA-N 1 0 216.285 -1.425 20 0 BAADRO CNC(=O)NC[C@H]1CN(CC[NH3+])CCO1 ZINC000530232479 388637183 /nfs/dbraw/zinc/63/71/83/388637183.db2.gz ZVYVOBCAHBHTDF-QMMMGPOBSA-N 1 0 216.285 -1.425 20 0 BAADRO C[N@@H+]1CC[C@@H](C(=O)NCCC(=O)NC(N)=O)C1 ZINC000532328691 323248235 /nfs/dbraw/zinc/24/82/35/323248235.db2.gz IGFSEDHQGXIKLY-SSDOTTSWSA-N 1 0 242.279 -1.361 20 0 BAADRO C[N@@H+]1CC[C@H](C(=O)NCCC(=O)NC(N)=O)C1 ZINC000532328692 323248626 /nfs/dbraw/zinc/24/86/26/323248626.db2.gz IGFSEDHQGXIKLY-ZETCQYMHSA-N 1 0 242.279 -1.361 20 0 BAADRO CNS(=O)(=O)[C@@H]1CCN(C(=O)C[NH+](C)C)C1 ZINC000532752066 323294268 /nfs/dbraw/zinc/29/42/68/323294268.db2.gz IPHFOSVUYNQCJW-MRVPVSSYSA-N 1 0 249.336 -1.302 20 0 BAADRO CNS(=O)(=O)[C@H]1CCN(C(=O)C[NH+](C)C)C1 ZINC000532752071 323294026 /nfs/dbraw/zinc/29/40/26/323294026.db2.gz IPHFOSVUYNQCJW-QMMMGPOBSA-N 1 0 249.336 -1.302 20 0 BAADRO O=C(CN1CC(=O)NC1=O)NCC[NH+]1CCC1 ZINC000532787464 323297206 /nfs/dbraw/zinc/29/72/06/323297206.db2.gz QLPYKVLJIJVZAG-UHFFFAOYSA-N 1 0 240.263 -1.640 20 0 BAADRO O=C(Cn1cnnn1)NCC[NH+]1CCC1 ZINC000533107588 387961087 /nfs/dbraw/zinc/96/10/87/387961087.db2.gz ZLKFUMAHHKBWEA-UHFFFAOYSA-N 1 0 210.241 -1.505 20 0 BAADRO CS(=O)(=O)NCCC(=O)NCC[NH+]1CCC1 ZINC000533108032 387961110 /nfs/dbraw/zinc/96/11/10/387961110.db2.gz WDRRFQZXGDXVTQ-UHFFFAOYSA-N 1 0 249.336 -1.252 20 0 BAADRO COC[C@@](C)(O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000533570280 397963763 /nfs/dbraw/zinc/96/37/63/397963763.db2.gz TUDDONJXFWPCBW-GHMZBOCLSA-N 1 0 248.323 -1.187 20 0 BAADRO COC[C@](C)(O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000533570287 397963967 /nfs/dbraw/zinc/96/39/67/397963967.db2.gz TUDDONJXFWPCBW-MNOVXSKESA-N 1 0 248.323 -1.187 20 0 BAADRO COC[C@](C)(O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000533570288 322835122 /nfs/dbraw/zinc/83/51/22/322835122.db2.gz TUDDONJXFWPCBW-QWRGUYRKSA-N 1 0 248.323 -1.187 20 0 BAADRO COC[C@@](C)(O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000533570290 397963754 /nfs/dbraw/zinc/96/37/54/397963754.db2.gz TUDDONJXFWPCBW-WDEREUQCSA-N 1 0 248.323 -1.187 20 0 BAADRO COC(=O)CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000534268517 323115174 /nfs/dbraw/zinc/11/51/74/323115174.db2.gz KYOZTGTYCAINBI-SECBINFHSA-N 1 0 241.291 -1.335 20 0 BAADRO COC(=O)CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000534268541 323115213 /nfs/dbraw/zinc/11/52/13/323115213.db2.gz KYOZTGTYCAINBI-VIFPVBQESA-N 1 0 241.291 -1.335 20 0 BAADRO C[NH+](C)C1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC000534283178 323115249 /nfs/dbraw/zinc/11/52/49/323115249.db2.gz SNUOXXKJDQTSTD-ZETCQYMHSA-N 1 0 240.263 -1.643 20 0 BAADRO O=C(NCCO)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000535710036 323189021 /nfs/dbraw/zinc/18/90/21/323189021.db2.gz MTPQHHQYBFFVNG-SECBINFHSA-N 1 0 213.281 -1.515 20 0 BAADRO O=C(NCCO)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000535710058 323189017 /nfs/dbraw/zinc/18/90/17/323189017.db2.gz MTPQHHQYBFFVNG-VIFPVBQESA-N 1 0 213.281 -1.515 20 0 BAADRO CN(CC(N)=O)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000535716623 323189159 /nfs/dbraw/zinc/18/91/59/323189159.db2.gz OOIPGIGXJYCWGL-SECBINFHSA-N 1 0 240.307 -1.680 20 0 BAADRO CN(CC(N)=O)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000535716633 323189125 /nfs/dbraw/zinc/18/91/25/323189125.db2.gz OOIPGIGXJYCWGL-VIFPVBQESA-N 1 0 240.307 -1.680 20 0 BAADRO C[NH+](C)C1CN(C(=O)CCNC(N)=O)C1 ZINC000537118820 324012801 /nfs/dbraw/zinc/01/28/01/324012801.db2.gz FPRUHBUJMVZDLI-UHFFFAOYSA-N 1 0 214.269 -1.183 20 0 BAADRO Cn1cnn(CC(=O)NCC[NH+]2CCC2)c1=O ZINC000537607696 324086862 /nfs/dbraw/zinc/08/68/62/324086862.db2.gz WOVVWSSGWCKQEZ-UHFFFAOYSA-N 1 0 239.279 -1.596 20 0 BAADRO C[N@@H+]1CC[C@](O)(CNc2nccn3nnnc23)C1 ZINC000545165249 410855002 /nfs/dbraw/zinc/85/50/02/410855002.db2.gz DBPZQCSITBLQNV-JTQLQIEISA-N 1 0 249.278 -1.002 20 0 BAADRO C[N@@H+]1CC[C@@](O)(CNc2nccn3nnnc23)C1 ZINC000545165250 412256000 /nfs/dbraw/zinc/25/60/00/412256000.db2.gz DBPZQCSITBLQNV-SNVBAGLBSA-N 1 0 249.278 -1.002 20 0 BAADRO CC[N@H+](CCO)CCNC(=O)[C@](C)(O)COC ZINC000546012990 325257878 /nfs/dbraw/zinc/25/78/78/325257878.db2.gz LXKWXQURYISYAE-LLVKDONJSA-N 1 0 248.323 -1.186 20 0 BAADRO CC[N@H+](CCO)CCNC(=O)[C@@](C)(O)COC ZINC000546012991 325257932 /nfs/dbraw/zinc/25/79/32/325257932.db2.gz LXKWXQURYISYAE-NSHDSACASA-N 1 0 248.323 -1.186 20 0 BAADRO COC[C@@](C)(O)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000547293176 325334832 /nfs/dbraw/zinc/33/48/32/325334832.db2.gz QEENEHULMDCIPS-GHMZBOCLSA-N 1 0 246.307 -1.433 20 0 BAADRO COC[C@@](C)(O)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000547293177 325334783 /nfs/dbraw/zinc/33/47/83/325334783.db2.gz QEENEHULMDCIPS-MNOVXSKESA-N 1 0 246.307 -1.433 20 0 BAADRO COC[C@](C)(O)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000547293178 325334862 /nfs/dbraw/zinc/33/48/62/325334862.db2.gz QEENEHULMDCIPS-QWRGUYRKSA-N 1 0 246.307 -1.433 20 0 BAADRO COC[C@](C)(O)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000547293179 325334509 /nfs/dbraw/zinc/33/45/09/325334509.db2.gz QEENEHULMDCIPS-WDEREUQCSA-N 1 0 246.307 -1.433 20 0 BAADRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)NC2CC2)C1 ZINC000547793535 325399440 /nfs/dbraw/zinc/39/94/40/325399440.db2.gz GPJATQCQYOLYBX-SECBINFHSA-N 1 0 249.336 -1.361 20 0 BAADRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)NC2CC2)C1 ZINC000547793536 325399393 /nfs/dbraw/zinc/39/93/93/325399393.db2.gz GPJATQCQYOLYBX-VIFPVBQESA-N 1 0 249.336 -1.361 20 0 BAADRO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](O)C[C@H]2CO)C1 ZINC000548482120 388543948 /nfs/dbraw/zinc/54/39/48/388543948.db2.gz TVXKIMCYCIDRLU-GUBZILKMSA-N 1 0 228.292 -1.108 20 0 BAADRO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](O)C[C@H]2CO)C1 ZINC000548482121 388543849 /nfs/dbraw/zinc/54/38/49/388543849.db2.gz TVXKIMCYCIDRLU-UTLUCORTSA-N 1 0 228.292 -1.108 20 0 BAADRO O=C1CNC(=O)N1CC[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000548626031 388549169 /nfs/dbraw/zinc/54/91/69/388549169.db2.gz MYPXASIVUFHZAZ-MRVPVSSYSA-N 1 0 239.275 -1.005 20 0 BAADRO O=C1CNC(=O)N1CC[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000548626032 388549887 /nfs/dbraw/zinc/54/98/87/388549887.db2.gz MYPXASIVUFHZAZ-QMMMGPOBSA-N 1 0 239.275 -1.005 20 0 BAADRO O=C(CN1CN=NC1=O)NCC[NH+]1CCC1 ZINC000548705469 388554214 /nfs/dbraw/zinc/55/42/14/388554214.db2.gz JGUAAAWEGGZGLB-UHFFFAOYSA-N 1 0 225.252 -1.194 20 0 BAADRO CC[NH+]1CCN(CC(=O)N2CC(O)C2)CC1 ZINC000551321870 325554437 /nfs/dbraw/zinc/55/44/37/325554437.db2.gz AGRSTPKNUXNVIM-UHFFFAOYSA-N 1 0 227.308 -1.173 20 0 BAADRO CNC(=O)CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000552155394 325601297 /nfs/dbraw/zinc/60/12/97/325601297.db2.gz UJZNHHDIOMMMBQ-YUMQZZPRSA-N 1 0 229.280 -1.744 20 0 BAADRO C[NH+](C)[C@H]1CN(C(=O)[C@@H]2COCCO2)C[C@@H]1O ZINC000552155427 325601300 /nfs/dbraw/zinc/60/13/00/325601300.db2.gz VMUHHGKHQDJENL-GUBZILKMSA-N 1 0 244.291 -1.465 20 0 BAADRO C[NH+](C)[C@H]1CN(C(=O)[C@H]2COCCO2)C[C@@H]1O ZINC000552155428 388674463 /nfs/dbraw/zinc/67/44/63/388674463.db2.gz VMUHHGKHQDJENL-LPEHRKFASA-N 1 0 244.291 -1.465 20 0 BAADRO CC(C)[C@H](C(=O)N[C@@H](CO)C(N)=O)[NH+](C)C ZINC000552973374 388742238 /nfs/dbraw/zinc/74/22/38/388742238.db2.gz UYBPYCMLNUBLFL-JGVFFNPUSA-N 1 0 231.296 -1.465 20 0 BAADRO CC(C)[C@@H](C(=O)N[C@@H](CO)C(N)=O)[NH+](C)C ZINC000553301870 388762241 /nfs/dbraw/zinc/76/22/41/388762241.db2.gz UYBPYCMLNUBLFL-YUMQZZPRSA-N 1 0 231.296 -1.465 20 0 BAADRO COC(=O)COCC(=O)NCC[NH+](C)C ZINC000554455556 388815315 /nfs/dbraw/zinc/81/53/15/388815315.db2.gz ANHPFSHTIILMRJ-UHFFFAOYSA-N 1 0 218.253 -1.146 20 0 BAADRO CC[N@H+](C)C[C@H](O)CN1C[C@@H](O)C[C@H]1CO ZINC000555880640 490197734 /nfs/dbraw/zinc/19/77/34/490197734.db2.gz RCMHMRIHNXECMF-DCAQKATOSA-N 1 0 232.324 -1.274 20 0 BAADRO CC[N@H+](C)C[C@@H](O)CN1C[C@@H](O)C[C@H]1CO ZINC000555880643 490197085 /nfs/dbraw/zinc/19/70/85/490197085.db2.gz RCMHMRIHNXECMF-GARJFASQSA-N 1 0 232.324 -1.274 20 0 BAADRO C[NH+](C)C1CN(C(=O)CNC(N)=O)C1 ZINC000556706550 322919752 /nfs/dbraw/zinc/91/97/52/322919752.db2.gz YKJXKGLFPPPKKC-UHFFFAOYSA-N 1 0 200.242 -1.573 20 0 BAADRO CN1CCC[C@H]([N@@H+]2CC[C@](O)(C(N)=O)C2)C1=O ZINC000556760360 384475305 /nfs/dbraw/zinc/47/53/05/384475305.db2.gz YCBOKXVCKGCDCK-GZMMTYOYSA-N 1 0 241.291 -1.471 20 0 BAADRO CN1CCC[C@@H]([N@@H+]2CC[C@@](O)(C(N)=O)C2)C1=O ZINC000556760361 384474708 /nfs/dbraw/zinc/47/47/08/384474708.db2.gz YCBOKXVCKGCDCK-KCJUWKMLSA-N 1 0 241.291 -1.471 20 0 BAADRO CN1CCC[C@H]([N@@H+]2CC[C@@](O)(C(N)=O)C2)C1=O ZINC000556760362 384474899 /nfs/dbraw/zinc/47/48/99/384474899.db2.gz YCBOKXVCKGCDCK-KWQFWETISA-N 1 0 241.291 -1.471 20 0 BAADRO CN1CCC[C@@H]([N@@H+]2CC[C@](O)(C(N)=O)C2)C1=O ZINC000556760363 384474525 /nfs/dbraw/zinc/47/45/25/384474525.db2.gz YCBOKXVCKGCDCK-LDYMZIIASA-N 1 0 241.291 -1.471 20 0 BAADRO CC(=O)NCC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000556978891 322932646 /nfs/dbraw/zinc/93/26/46/322932646.db2.gz YMNGPWPVJYUEML-IUCAKERBSA-N 1 0 229.280 -1.744 20 0 BAADRO C[C@@H]1CC[C@@H](CNC(=O)C(=O)NC2C[NH2+]C2)O1 ZINC000557246464 322935599 /nfs/dbraw/zinc/93/55/99/322935599.db2.gz KQMAHNJMPXQKKJ-APPZFPTMSA-N 1 0 241.291 -1.242 20 0 BAADRO C[C@H]1CC[C@@H](CNC(=O)C(=O)NC2C[NH2+]C2)O1 ZINC000557246465 384894784 /nfs/dbraw/zinc/89/47/84/384894784.db2.gz KQMAHNJMPXQKKJ-CBAPKCEASA-N 1 0 241.291 -1.242 20 0 BAADRO C[C@H]1CC[C@H](CNC(=O)C(=O)NC2C[NH2+]C2)O1 ZINC000557246466 384893875 /nfs/dbraw/zinc/89/38/75/384893875.db2.gz KQMAHNJMPXQKKJ-IONNQARKSA-N 1 0 241.291 -1.242 20 0 BAADRO C[C@@H]1CC[C@H](CNC(=O)C(=O)NC2C[NH2+]C2)O1 ZINC000557246467 322935623 /nfs/dbraw/zinc/93/56/23/322935623.db2.gz KQMAHNJMPXQKKJ-VXNVDRBHSA-N 1 0 241.291 -1.242 20 0 BAADRO COC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000558165145 383821736 /nfs/dbraw/zinc/82/17/36/383821736.db2.gz CGHKYPASFUUZMD-ATZCPNFKSA-N 1 0 247.291 -1.415 20 0 BAADRO COC(=O)[C@](C)(O)C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000558165147 383821288 /nfs/dbraw/zinc/82/12/88/383821288.db2.gz CGHKYPASFUUZMD-FXPVBKGRSA-N 1 0 247.291 -1.415 20 0 BAADRO COC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000558165149 383822558 /nfs/dbraw/zinc/82/25/58/383822558.db2.gz CGHKYPASFUUZMD-IQJOONFLSA-N 1 0 247.291 -1.415 20 0 BAADRO COC(=O)[C@](C)(O)C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000558165150 383823419 /nfs/dbraw/zinc/82/34/19/383823419.db2.gz CGHKYPASFUUZMD-WCABBAIRSA-N 1 0 247.291 -1.415 20 0 BAADRO COC[C@H](O)CN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000559640269 385101974 /nfs/dbraw/zinc/10/19/74/385101974.db2.gz QHQCPVMKRJYQBV-UTLUCORTSA-N 1 0 218.297 -1.400 20 0 BAADRO CNS(=O)(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000560470910 384154728 /nfs/dbraw/zinc/15/47/28/384154728.db2.gz NDKCAHQNPQPLJK-MRVPVSSYSA-N 1 0 237.325 -1.239 20 0 BAADRO CNS(=O)(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000560470911 384155817 /nfs/dbraw/zinc/15/58/17/384155817.db2.gz NDKCAHQNPQPLJK-QMMMGPOBSA-N 1 0 237.325 -1.239 20 0 BAADRO C[NH+](C)[C@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC000560636182 384271775 /nfs/dbraw/zinc/27/17/75/384271775.db2.gz RDZANNARGOAEJX-YUMQZZPRSA-N 1 0 225.252 -1.448 20 0 BAADRO CN(C[C@H]1CCCO1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000561257015 322998151 /nfs/dbraw/zinc/99/81/51/322998151.db2.gz RJEKPPMJNFBTPS-SECBINFHSA-N 1 0 241.291 -1.288 20 0 BAADRO C[C@H]1OCCN(C(=O)C(=O)NC2C[NH2+]C2)[C@@H]1C ZINC000561257079 384600996 /nfs/dbraw/zinc/60/09/96/384600996.db2.gz XBWPLUXTGPPWEW-HTQZYQBOSA-N 1 0 241.291 -1.290 20 0 BAADRO C[C@H]1OCCN(C(=O)C(=O)NC2C[NH2+]C2)[C@H]1C ZINC000561257080 384601927 /nfs/dbraw/zinc/60/19/27/384601927.db2.gz XBWPLUXTGPPWEW-JGVFFNPUSA-N 1 0 241.291 -1.290 20 0 BAADRO C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000561257081 384599894 /nfs/dbraw/zinc/59/98/94/384599894.db2.gz XBWPLUXTGPPWEW-SFYZADRCSA-N 1 0 241.291 -1.290 20 0 BAADRO C[C@@H]1OCCN(C(=O)C(=O)NC2C[NH2+]C2)[C@H]1C ZINC000561257082 322998186 /nfs/dbraw/zinc/99/81/86/322998186.db2.gz XBWPLUXTGPPWEW-YUMQZZPRSA-N 1 0 241.291 -1.290 20 0 BAADRO CN1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)C(=O)N1 ZINC000562183195 323013045 /nfs/dbraw/zinc/01/30/45/323013045.db2.gz XKHIIZZTGNVDLF-HTQZYQBOSA-N 1 0 242.279 -2.222 20 0 BAADRO CN1C[C@H](NC(=O)[C@H]2CN(C)CCO2)C(=O)N1 ZINC000562183204 323013083 /nfs/dbraw/zinc/01/30/83/323013083.db2.gz XKHIIZZTGNVDLF-JGVFFNPUSA-N 1 0 242.279 -2.222 20 0 BAADRO CN1C[C@@H](NC(=O)[C@@H]2CN(C)CCO2)C(=O)N1 ZINC000562183206 323013052 /nfs/dbraw/zinc/01/30/52/323013052.db2.gz XKHIIZZTGNVDLF-SFYZADRCSA-N 1 0 242.279 -2.222 20 0 BAADRO CN1C[C@H](NC(=O)[C@@H]2CN(C)CCO2)C(=O)N1 ZINC000562183207 323013060 /nfs/dbraw/zinc/01/30/60/323013060.db2.gz XKHIIZZTGNVDLF-YUMQZZPRSA-N 1 0 242.279 -2.222 20 0 BAADRO CC[N@H+](C)C[C@@H](O)CN1CCO[C@@H](C(N)=O)C1 ZINC000562478681 345396771 /nfs/dbraw/zinc/39/67/71/345396771.db2.gz MFWZZPNYZKDRLB-NXEZZACHSA-N 1 0 245.323 -1.515 20 0 BAADRO CC[N@H+](C)C[C@H](O)CN1CCO[C@H](C(N)=O)C1 ZINC000562478682 345396633 /nfs/dbraw/zinc/39/66/33/345396633.db2.gz MFWZZPNYZKDRLB-UWVGGRQHSA-N 1 0 245.323 -1.515 20 0 BAADRO CC[N@H+](C)C[C@H](O)CN1CCO[C@@H](C(N)=O)C1 ZINC000562478683 345396964 /nfs/dbraw/zinc/39/69/64/345396964.db2.gz MFWZZPNYZKDRLB-VHSXEESVSA-N 1 0 245.323 -1.515 20 0 BAADRO CC[N@H+](C)C[C@@H](O)CN1CCO[C@H](C(N)=O)C1 ZINC000562478684 345397030 /nfs/dbraw/zinc/39/70/30/345397030.db2.gz MFWZZPNYZKDRLB-ZJUUUORDSA-N 1 0 245.323 -1.515 20 0 BAADRO Cn1ncnc1CN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000562479286 345397342 /nfs/dbraw/zinc/39/73/42/345397342.db2.gz WRKCRHKAVHVGRU-IUCAKERBSA-N 1 0 225.296 -1.078 20 0 BAADRO C[C@@H]1C[C@H](O)CN(C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000562828755 490562366 /nfs/dbraw/zinc/56/23/66/490562366.db2.gz JCVUWOMUCXJPRT-APPZFPTMSA-N 1 0 241.291 -1.696 20 0 BAADRO CSC[C@H](C)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000562828955 345509871 /nfs/dbraw/zinc/50/98/71/345509871.db2.gz WVIUCJCMOMWEMR-LURJTMIESA-N 1 0 231.321 -1.058 20 0 BAADRO CSC[C@@H](C)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000562828956 345509945 /nfs/dbraw/zinc/50/99/45/345509945.db2.gz WVIUCJCMOMWEMR-ZCFIWIBFSA-N 1 0 231.321 -1.058 20 0 BAADRO C[C@@]1(O)CCCN(C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000562828975 345510134 /nfs/dbraw/zinc/51/01/34/345510134.db2.gz ZRKVGLAZKIUNFO-LLVKDONJSA-N 1 0 241.291 -1.552 20 0 BAADRO C[C@]1(O)CCCN(C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000562828976 345509704 /nfs/dbraw/zinc/50/97/04/345509704.db2.gz ZRKVGLAZKIUNFO-NSHDSACASA-N 1 0 241.291 -1.552 20 0 BAADRO CC[C@@H](OC)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000562973637 323077633 /nfs/dbraw/zinc/07/76/33/323077633.db2.gz UGTARVGHPNYFOG-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO CC[C@H](OC)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000562973642 323077628 /nfs/dbraw/zinc/07/76/28/323077628.db2.gz UGTARVGHPNYFOG-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO CNC(=O)C(C)(C)C[NH2+]CCC(=O)NC(N)=O ZINC000562995859 323078693 /nfs/dbraw/zinc/07/86/93/323078693.db2.gz GOOFFHWUNRSWTH-UHFFFAOYSA-N 1 0 244.295 -1.067 20 0 BAADRO C[C@@H]([NH2+]CCN1CCNC(=O)C1)[C@H](C)O ZINC000563014475 323079904 /nfs/dbraw/zinc/07/99/04/323079904.db2.gz WWNLEKFFKKRFDT-BDAKNGLRSA-N 1 0 215.297 -1.223 20 0 BAADRO C[C@@H](O)[C@H](C)[NH2+]CCN1CCNC(=O)C1 ZINC000563014476 323079928 /nfs/dbraw/zinc/07/99/28/323079928.db2.gz WWNLEKFFKKRFDT-DTWKUNHWSA-N 1 0 215.297 -1.223 20 0 BAADRO C[C@H](O)[C@H](C)[NH2+]CCN1CCNC(=O)C1 ZINC000563014477 323079897 /nfs/dbraw/zinc/07/98/97/323079897.db2.gz WWNLEKFFKKRFDT-IUCAKERBSA-N 1 0 215.297 -1.223 20 0 BAADRO C[C@@H](O)[C@@H](C)[NH2+]CCN1CCNC(=O)C1 ZINC000563014478 323079911 /nfs/dbraw/zinc/07/99/11/323079911.db2.gz WWNLEKFFKKRFDT-RKDXNWHRSA-N 1 0 215.297 -1.223 20 0 BAADRO NC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])C2CCC2)CCO1 ZINC000563064404 347279468 /nfs/dbraw/zinc/27/94/68/347279468.db2.gz JOYRFNQSSKJZGJ-BDAKNGLRSA-N 1 0 241.291 -1.174 20 0 BAADRO NC(=O)[C@@H]1CN(C(=O)[C@H]([NH3+])C2CCC2)CCO1 ZINC000563064405 347279756 /nfs/dbraw/zinc/27/97/56/347279756.db2.gz JOYRFNQSSKJZGJ-DTWKUNHWSA-N 1 0 241.291 -1.174 20 0 BAADRO NC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CCC2)CCO1 ZINC000563064406 347279649 /nfs/dbraw/zinc/27/96/49/347279649.db2.gz JOYRFNQSSKJZGJ-IUCAKERBSA-N 1 0 241.291 -1.174 20 0 BAADRO NC(=O)[C@H]1CN(C(=O)[C@H]([NH3+])C2CCC2)CCO1 ZINC000563064409 347279338 /nfs/dbraw/zinc/27/93/38/347279338.db2.gz JOYRFNQSSKJZGJ-RKDXNWHRSA-N 1 0 241.291 -1.174 20 0 BAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1COC[C@H]1OC ZINC000563086250 323090491 /nfs/dbraw/zinc/09/04/91/323090491.db2.gz XBSJWYAYRSHKLZ-RNFRBKRXSA-N 1 0 231.252 -1.555 20 0 BAADRO CNC(=O)C(C)(C)CNC(=O)COC1C[NH2+]C1 ZINC000563089853 323091567 /nfs/dbraw/zinc/09/15/67/323091567.db2.gz CHMSHXUNFKTJPU-UHFFFAOYSA-N 1 0 243.307 -1.137 20 0 BAADRO COCCN(CC(=O)OC)C(=O)CC[NH3+] ZINC000563091390 323091744 /nfs/dbraw/zinc/09/17/44/323091744.db2.gz ZIVUMZTZNVAQMD-UHFFFAOYSA-N 1 0 218.253 -1.017 20 0 BAADRO NS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1[NH3+] ZINC000563094817 323092161 /nfs/dbraw/zinc/09/21/61/323092161.db2.gz YQEKYPDPYVMZOT-BIIVOSGPSA-N 1 0 247.320 -1.387 20 0 BAADRO NS(=O)(=O)C[C@H]1CCCN1C(=O)[C@H]1C[C@H]1[NH3+] ZINC000563094830 323092141 /nfs/dbraw/zinc/09/21/41/323092141.db2.gz YQEKYPDPYVMZOT-GJMOJQLCSA-N 1 0 247.320 -1.387 20 0 BAADRO [NH3+]CCNC(=O)CNC(=O)c1cccnc1 ZINC000563095961 323092037 /nfs/dbraw/zinc/09/20/37/323092037.db2.gz HIOXQFGPFVEOPI-UHFFFAOYSA-N 1 0 222.248 -1.114 20 0 BAADRO COCc1ncc(C(=O)NCC[NH3+])c(N)n1 ZINC000563097098 411878947 /nfs/dbraw/zinc/87/89/47/411878947.db2.gz YIQUHTINXFJWJY-UHFFFAOYSA-N 1 0 225.252 -1.106 20 0 BAADRO CCS(=O)(=O)NCC(=O)NC[C@H]1CCC[NH2+]1 ZINC000563105753 323092714 /nfs/dbraw/zinc/09/27/14/323092714.db2.gz UZNDKVXFSMMBBK-MRVPVSSYSA-N 1 0 249.336 -1.206 20 0 BAADRO CCS(=O)(=O)NCC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000563105754 323092706 /nfs/dbraw/zinc/09/27/06/323092706.db2.gz UZNDKVXFSMMBBK-QMMMGPOBSA-N 1 0 249.336 -1.206 20 0 BAADRO COCC(=O)N(C)CC(=O)NCC[C@H](C)[NH3+] ZINC000563106786 350061570 /nfs/dbraw/zinc/06/15/70/350061570.db2.gz FQJCVWBNHSQBOR-QMMMGPOBSA-N 1 0 231.296 -1.055 20 0 BAADRO C[C@H]1C[NH2+]CCN1C(=O)Cn1ncn(C)c1=O ZINC000563109150 323093002 /nfs/dbraw/zinc/09/30/02/323093002.db2.gz YUTJJARXJRZGAG-QMMMGPOBSA-N 1 0 239.279 -1.598 20 0 BAADRO COCC[NH2+]CCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000563109550 323092999 /nfs/dbraw/zinc/09/29/99/323092999.db2.gz UOWIOYICEIJYHY-JTQLQIEISA-N 1 0 245.323 -1.283 20 0 BAADRO COCC[NH2+]CCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000563109551 323093074 /nfs/dbraw/zinc/09/30/74/323093074.db2.gz UOWIOYICEIJYHY-SNVBAGLBSA-N 1 0 245.323 -1.283 20 0 BAADRO C[NH2+]CCCN(C)C(=O)CN1CCNCC1=O ZINC000563112642 323093169 /nfs/dbraw/zinc/09/31/69/323093169.db2.gz IHYUDAKZDPEEFC-UHFFFAOYSA-N 1 0 242.323 -1.514 20 0 BAADRO CCS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000563117619 323093233 /nfs/dbraw/zinc/09/32/33/323093233.db2.gz JFWOUESFHJEFPV-QMSLJYSESA-N 1 0 247.320 -1.740 20 0 BAADRO C[C@H]([NH3+])[C@H](C)NC(=O)CCNS(C)(=O)=O ZINC000563118665 323093864 /nfs/dbraw/zinc/09/38/64/323093864.db2.gz ACBWIGKPNIYHGR-BQBZGAKWSA-N 1 0 237.325 -1.222 20 0 BAADRO C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@H](C)[NH3+] ZINC000563118666 323093736 /nfs/dbraw/zinc/09/37/36/323093736.db2.gz ACBWIGKPNIYHGR-NKWVEPMBSA-N 1 0 237.325 -1.222 20 0 BAADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)CCNS(C)(=O)=O ZINC000563118667 323093866 /nfs/dbraw/zinc/09/38/66/323093866.db2.gz ACBWIGKPNIYHGR-RNFRBKRXSA-N 1 0 237.325 -1.222 20 0 BAADRO C[C@@H]([NH3+])[C@H](C)NC(=O)CCNS(C)(=O)=O ZINC000563118668 323093869 /nfs/dbraw/zinc/09/38/69/323093869.db2.gz ACBWIGKPNIYHGR-RQJHMYQMSA-N 1 0 237.325 -1.222 20 0 BAADRO COCC(=O)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000563118743 323094005 /nfs/dbraw/zinc/09/40/05/323094005.db2.gz CYTHTGOQXASDTH-HTQZYQBOSA-N 1 0 231.296 -1.057 20 0 BAADRO COCC(=O)N(C)CC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000563118744 323093994 /nfs/dbraw/zinc/09/39/94/323093994.db2.gz CYTHTGOQXASDTH-JGVFFNPUSA-N 1 0 231.296 -1.057 20 0 BAADRO COCC(=O)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000563118745 323094018 /nfs/dbraw/zinc/09/40/18/323094018.db2.gz CYTHTGOQXASDTH-SFYZADRCSA-N 1 0 231.296 -1.057 20 0 BAADRO COCC(=O)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000563118746 323093962 /nfs/dbraw/zinc/09/39/62/323093962.db2.gz CYTHTGOQXASDTH-YUMQZZPRSA-N 1 0 231.296 -1.057 20 0 BAADRO CN(C)C[C@H](CO)[NH2+]CCC(=O)NC(N)=O ZINC000563138793 323095107 /nfs/dbraw/zinc/09/51/07/323095107.db2.gz VHFXSXREJWKHOZ-SSDOTTSWSA-N 1 0 232.284 -1.917 20 0 BAADRO CN(C)C[C@@H](CO)[NH2+]CCC(=O)NC(N)=O ZINC000563138794 323095036 /nfs/dbraw/zinc/09/50/36/323095036.db2.gz VHFXSXREJWKHOZ-ZETCQYMHSA-N 1 0 232.284 -1.917 20 0 BAADRO CC[C@H](O)C[NH2+]CCC(=O)NC(N)=O ZINC000563142145 323095353 /nfs/dbraw/zinc/09/53/53/323095353.db2.gz NVGYTAMLBVQHLA-LURJTMIESA-N 1 0 203.242 -1.068 20 0 BAADRO CN(C)S(=O)(=O)CCC(=O)N1CC[NH2+]CC1 ZINC000563146024 323095486 /nfs/dbraw/zinc/09/54/86/323095486.db2.gz IQBXNYFZFAVDKU-UHFFFAOYSA-N 1 0 249.336 -1.300 20 0 BAADRO [NH3+]CCN(CCO)CC(=O)N1CCCC1 ZINC000563150576 323095597 /nfs/dbraw/zinc/09/55/97/323095597.db2.gz RTHTXFZIIIBWQV-UHFFFAOYSA-N 1 0 215.297 -1.138 20 0 BAADRO C[C@@H]1C[NH2+]C[C@H](C)N1CC(=O)NC(N)=O ZINC000563150719 323095612 /nfs/dbraw/zinc/09/56/12/323095612.db2.gz WMWCFQFADCLWQD-KNVOCYPGSA-N 1 0 214.269 -1.137 20 0 BAADRO COC(=O)CCNC(=O)CN1CC[NH2+]C[C@@H]1C ZINC000563152628 323095825 /nfs/dbraw/zinc/09/58/25/323095825.db2.gz QGUACKSSLHLKHE-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO COC(=O)CCNC(=O)CN(C)[C@@H]1CC[NH2+]C1 ZINC000563154042 323095742 /nfs/dbraw/zinc/09/57/42/323095742.db2.gz MYSYTXKTDJVVNA-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO COC(=O)CCNC(=O)CN(C)[C@H]1CC[NH2+]C1 ZINC000563154043 323095829 /nfs/dbraw/zinc/09/58/29/323095829.db2.gz MYSYTXKTDJVVNA-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1CSCN1 ZINC000563159078 323096993 /nfs/dbraw/zinc/09/69/93/323096993.db2.gz DAZCTNZWDHKKSG-HTQZYQBOSA-N 1 0 231.321 -1.247 20 0 BAADRO O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1CSCN1 ZINC000563159079 323096935 /nfs/dbraw/zinc/09/69/35/323096935.db2.gz DAZCTNZWDHKKSG-JGVFFNPUSA-N 1 0 231.321 -1.247 20 0 BAADRO [NH3+][C@H]1C[C@@H](C(=O)N2CCN(CCO)CC2)C1 ZINC000563159247 323097071 /nfs/dbraw/zinc/09/70/71/323097071.db2.gz GTPXAVUFQNOXLA-AOOOYVTPSA-N 1 0 227.308 -1.140 20 0 BAADRO CN(C[C@H]1CCC[C@@H]1O)C(=O)CNC(=O)C[NH3+] ZINC000563159756 323097319 /nfs/dbraw/zinc/09/73/19/323097319.db2.gz KETUPBFKAIYSBG-BDAKNGLRSA-N 1 0 243.307 -1.319 20 0 BAADRO CN(C[C@@H]1CCC[C@H]1O)C(=O)CNC(=O)C[NH3+] ZINC000563159758 323097309 /nfs/dbraw/zinc/09/73/09/323097309.db2.gz KETUPBFKAIYSBG-DTWKUNHWSA-N 1 0 243.307 -1.319 20 0 BAADRO CN(C[C@@H]1CCC[C@@H]1O)C(=O)CNC(=O)C[NH3+] ZINC000563159759 323097242 /nfs/dbraw/zinc/09/72/42/323097242.db2.gz KETUPBFKAIYSBG-IUCAKERBSA-N 1 0 243.307 -1.319 20 0 BAADRO CN(C[C@H]1CCC[C@H]1O)C(=O)CNC(=O)C[NH3+] ZINC000563159760 323097224 /nfs/dbraw/zinc/09/72/24/323097224.db2.gz KETUPBFKAIYSBG-RKDXNWHRSA-N 1 0 243.307 -1.319 20 0 BAADRO COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)[C@H](C)[NH3+] ZINC000563160638 323097448 /nfs/dbraw/zinc/09/74/48/323097448.db2.gz QLRAAWDCCFUEPR-FXQIFTODSA-N 1 0 230.264 -1.142 20 0 BAADRO COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)[C@H](C)[NH3+] ZINC000563160642 323097452 /nfs/dbraw/zinc/09/74/52/323097452.db2.gz QLRAAWDCCFUEPR-RNJXMRFFSA-N 1 0 230.264 -1.142 20 0 BAADRO COC(=O)[C@@H]1COCCN1C(=O)C[NH3+] ZINC000563161027 323097543 /nfs/dbraw/zinc/09/75/43/323097543.db2.gz PPAANNCALKCCGK-LURJTMIESA-N 1 0 202.210 -1.655 20 0 BAADRO COC(=O)[C@H]1COCCN1C(=O)C[NH3+] ZINC000563161034 323097504 /nfs/dbraw/zinc/09/75/04/323097504.db2.gz PPAANNCALKCCGK-ZCFIWIBFSA-N 1 0 202.210 -1.655 20 0 BAADRO O=C(CN1CCOCC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000563162875 323098151 /nfs/dbraw/zinc/09/81/51/323098151.db2.gz OYMFWBTUMAKCJH-JZYVYDRUSA-N 1 0 225.292 -1.347 20 0 BAADRO CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1CSCN1 ZINC000563163324 323098400 /nfs/dbraw/zinc/09/84/00/323098400.db2.gz TZTFKXZQICEIMI-BDAKNGLRSA-N 1 0 244.364 -1.331 20 0 BAADRO CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]1CSCN1 ZINC000563163328 323098413 /nfs/dbraw/zinc/09/84/13/323098413.db2.gz TZTFKXZQICEIMI-DTWKUNHWSA-N 1 0 244.364 -1.331 20 0 BAADRO CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H]1CSCN1 ZINC000563163330 323098381 /nfs/dbraw/zinc/09/83/81/323098381.db2.gz TZTFKXZQICEIMI-IUCAKERBSA-N 1 0 244.364 -1.331 20 0 BAADRO CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]1CSCN1 ZINC000563163333 323098456 /nfs/dbraw/zinc/09/84/56/323098456.db2.gz TZTFKXZQICEIMI-RKDXNWHRSA-N 1 0 244.364 -1.331 20 0 BAADRO CC(=O)NCCN(C)C(=O)CCOC1C[NH2+]C1 ZINC000563167224 323099450 /nfs/dbraw/zinc/09/94/50/323099450.db2.gz QGMUBOZIRBMZDH-UHFFFAOYSA-N 1 0 243.307 -1.041 20 0 BAADRO COC(=O)CC1([NH2+]CC(=O)NC(N)=O)CC1 ZINC000563221280 323104787 /nfs/dbraw/zinc/10/47/87/323104787.db2.gz JLJUKUCBXXAGKH-UHFFFAOYSA-N 1 0 229.236 -1.133 20 0 BAADRO CN1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1=O ZINC000563268156 323107150 /nfs/dbraw/zinc/10/71/50/323107150.db2.gz IUYCRCSSARIBMJ-MBTKJCJQSA-N 1 0 238.291 -1.312 20 0 BAADRO C[NH2+]C[C@](C)(O)CN1CCN(C)C(=O)C1 ZINC000563270255 350747199 /nfs/dbraw/zinc/74/71/99/350747199.db2.gz ZACSTUAMGCTQBC-JTQLQIEISA-N 1 0 215.297 -1.269 20 0 BAADRO C[NH2+]C[C@@](C)(O)CN1CCN(C)C(=O)C1 ZINC000563270256 350746908 /nfs/dbraw/zinc/74/69/08/350746908.db2.gz ZACSTUAMGCTQBC-SNVBAGLBSA-N 1 0 215.297 -1.269 20 0 BAADRO COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CCO1 ZINC000563336174 323118986 /nfs/dbraw/zinc/11/89/86/323118986.db2.gz JVDRUIAHPSWSAD-CSMHCCOUSA-N 1 0 228.248 -1.266 20 0 BAADRO COC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CCO1 ZINC000563336175 323118980 /nfs/dbraw/zinc/11/89/80/323118980.db2.gz JVDRUIAHPSWSAD-GJMOJQLCSA-N 1 0 228.248 -1.266 20 0 BAADRO COC(=O)[C@H]1CN(C(=O)[C@H]2CC[NH2+]2)CCO1 ZINC000563337211 491104524 /nfs/dbraw/zinc/10/45/24/491104524.db2.gz YSHRUPFXDOBKQM-HTQZYQBOSA-N 1 0 228.248 -1.251 20 0 BAADRO COC(=O)[C@@H]1CN(C(=O)[C@H]2CC[NH2+]2)CCO1 ZINC000563337212 350820330 /nfs/dbraw/zinc/82/03/30/350820330.db2.gz YSHRUPFXDOBKQM-SFYZADRCSA-N 1 0 228.248 -1.251 20 0 BAADRO CN(CC1CC1)C(=O)C[NH2+]C(CO)CO ZINC000563360224 323119777 /nfs/dbraw/zinc/11/97/77/323119777.db2.gz CPYMZBFXHLKUPI-UHFFFAOYSA-N 1 0 216.281 -1.202 20 0 BAADRO C[C@@H]1COCCN1CC[NH2+]C(CO)CO ZINC000563360487 323120137 /nfs/dbraw/zinc/12/01/37/323120137.db2.gz MJPDZYPJLDYEQQ-SECBINFHSA-N 1 0 218.297 -1.350 20 0 BAADRO C[C@H]1COCCN1CC[NH2+]C(CO)CO ZINC000563360488 323120147 /nfs/dbraw/zinc/12/01/47/323120147.db2.gz MJPDZYPJLDYEQQ-VIFPVBQESA-N 1 0 218.297 -1.350 20 0 BAADRO C[C@@H](c1nnnn1C)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000563363017 350824325 /nfs/dbraw/zinc/82/43/25/350824325.db2.gz HXDCMXLSTLGTJV-CIUDSAMLSA-N 1 0 240.311 -1.122 20 0 BAADRO C[C@H](c1nnnn1C)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000563363018 350824667 /nfs/dbraw/zinc/82/46/67/350824667.db2.gz HXDCMXLSTLGTJV-VGMNWLOBSA-N 1 0 240.311 -1.122 20 0 BAADRO COC(=O)[C@H](CO)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000563390213 323121753 /nfs/dbraw/zinc/12/17/53/323121753.db2.gz PTIOLUFRNUQPAP-BDAKNGLRSA-N 1 0 244.291 -1.022 20 0 BAADRO COC(=O)[C@H](CO)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000563390214 323121682 /nfs/dbraw/zinc/12/16/82/323121682.db2.gz PTIOLUFRNUQPAP-IUCAKERBSA-N 1 0 244.291 -1.022 20 0 BAADRO C[C@H](O)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000563395104 323122604 /nfs/dbraw/zinc/12/26/04/323122604.db2.gz PVXIAIALQNUBLK-FXQIFTODSA-N 1 0 202.254 -1.500 20 0 BAADRO CC[NH+](CC)CC[C@H](CO)NC(=O)C(=O)NC ZINC000563421746 323124113 /nfs/dbraw/zinc/12/41/13/323124113.db2.gz RQLWRBTXPYKDLK-SECBINFHSA-N 1 0 245.323 -1.059 20 0 BAADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)C(=O)NC ZINC000563421747 323124045 /nfs/dbraw/zinc/12/40/45/323124045.db2.gz RQLWRBTXPYKDLK-VIFPVBQESA-N 1 0 245.323 -1.059 20 0 BAADRO CC[C@H](C(N)=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563437532 323125500 /nfs/dbraw/zinc/12/55/00/323125500.db2.gz ADMUTSZJNSBNBT-DJLDLDEBSA-N 1 0 240.307 -1.506 20 0 BAADRO CC[C@H](C(N)=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563437533 323125527 /nfs/dbraw/zinc/12/55/27/323125527.db2.gz ADMUTSZJNSBNBT-HRDYMLBCSA-N 1 0 240.307 -1.506 20 0 BAADRO CC[C@H](C(N)=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563437534 323125496 /nfs/dbraw/zinc/12/54/96/323125496.db2.gz ADMUTSZJNSBNBT-IWSPIJDZSA-N 1 0 240.307 -1.506 20 0 BAADRO CC[C@H](C(N)=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563437535 323125452 /nfs/dbraw/zinc/12/54/52/323125452.db2.gz ADMUTSZJNSBNBT-XHNCKOQMSA-N 1 0 240.307 -1.506 20 0 BAADRO O=C(N[C@H]1CC[NH2+]C1)N[C@H]1CCCNC1=O ZINC000563454430 323127078 /nfs/dbraw/zinc/12/70/78/323127078.db2.gz RRLPORQHHFYQQK-YUMQZZPRSA-N 1 0 226.280 -1.074 20 0 BAADRO CCOCCN(C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000563456329 323127238 /nfs/dbraw/zinc/12/72/38/323127238.db2.gz CZDMQPURUSKAME-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO COCCN(C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000563456760 323127293 /nfs/dbraw/zinc/12/72/93/323127293.db2.gz GZUFWOSTXZSRDT-QMMMGPOBSA-N 1 0 229.280 -1.431 20 0 BAADRO CN(C(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1CCOC1 ZINC000563458170 323127289 /nfs/dbraw/zinc/12/72/89/323127289.db2.gz RLPMBQZDUHBDLH-DTWKUNHWSA-N 1 0 241.291 -1.288 20 0 BAADRO CN(C(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@H]1CCOC1 ZINC000563458179 323127292 /nfs/dbraw/zinc/12/72/92/323127292.db2.gz RLPMBQZDUHBDLH-IUCAKERBSA-N 1 0 241.291 -1.288 20 0 BAADRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)N2CCC2)C1 ZINC000563464507 323127395 /nfs/dbraw/zinc/12/73/95/323127395.db2.gz SGPXDXNZUYIMFD-SECBINFHSA-N 1 0 249.336 -1.407 20 0 BAADRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)N2CCC2)C1 ZINC000563464509 323127428 /nfs/dbraw/zinc/12/74/28/323127428.db2.gz SGPXDXNZUYIMFD-VIFPVBQESA-N 1 0 249.336 -1.407 20 0 BAADRO Cn1cnn(CC(=O)N[C@@H]2CCC[NH2+]C2)c1=O ZINC000563534375 323129405 /nfs/dbraw/zinc/12/94/05/323129405.db2.gz NSBYLZJJCFVAGD-MRVPVSSYSA-N 1 0 239.279 -1.550 20 0 BAADRO Cn1ccc(NCCNC(=O)C[NH+](C)C)n1 ZINC000563536617 411386810 /nfs/dbraw/zinc/38/68/10/411386810.db2.gz CFJDTDMXNNHUMF-UHFFFAOYSA-N 1 0 225.296 -0.490 20 0 BAADRO CN(C)S(=O)(=O)CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000563624505 323132201 /nfs/dbraw/zinc/13/22/01/323132201.db2.gz UTXDGQJXKZHIDS-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO CC(C)(CC[NH3+])NC(=O)CN1CCNCC1=O ZINC000563626259 323132311 /nfs/dbraw/zinc/13/23/11/323132311.db2.gz SFIWOTDVLNGPGQ-UHFFFAOYSA-N 1 0 242.323 -1.338 20 0 BAADRO CC[NH2+]CCNC(=O)CS(=O)(=O)N(C)C ZINC000563706269 323174629 /nfs/dbraw/zinc/17/46/29/323174629.db2.gz JAFGKTXQVUPRSO-UHFFFAOYSA-N 1 0 237.325 -1.397 20 0 BAADRO [NH3+][C@@H](C(=O)NC1=NCC(=O)N1)C1CCC1 ZINC000563707225 323174663 /nfs/dbraw/zinc/17/46/63/323174663.db2.gz LNRFTWHWKSJJKL-SSDOTTSWSA-N 1 0 210.237 -1.284 20 0 BAADRO [NH3+][C@H](C(=O)NC1=NCC(=O)N1)C1CCC1 ZINC000563707277 323174670 /nfs/dbraw/zinc/17/46/70/323174670.db2.gz LNRFTWHWKSJJKL-ZETCQYMHSA-N 1 0 210.237 -1.284 20 0 BAADRO CCS(=O)(=O)NCC(=O)N1CCC[NH2+]CC1 ZINC000563708820 353324788 /nfs/dbraw/zinc/32/47/88/353324788.db2.gz WCGWXAZLDNMAAB-UHFFFAOYSA-N 1 0 249.336 -1.252 20 0 BAADRO COC(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563732729 323176645 /nfs/dbraw/zinc/17/66/45/323176645.db2.gz PXYTZAPEYLCQBW-HTQZYQBOSA-N 1 0 227.264 -1.597 20 0 BAADRO COC(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563732738 323176666 /nfs/dbraw/zinc/17/66/66/323176666.db2.gz PXYTZAPEYLCQBW-JGVFFNPUSA-N 1 0 227.264 -1.597 20 0 BAADRO COC(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563732739 323176660 /nfs/dbraw/zinc/17/66/60/323176660.db2.gz PXYTZAPEYLCQBW-SFYZADRCSA-N 1 0 227.264 -1.597 20 0 BAADRO COC(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563732740 323176651 /nfs/dbraw/zinc/17/66/51/323176651.db2.gz PXYTZAPEYLCQBW-YUMQZZPRSA-N 1 0 227.264 -1.597 20 0 BAADRO CS(=O)(=O)NCCC(=O)NCC1([NH3+])CCC1 ZINC000563808892 353535841 /nfs/dbraw/zinc/53/58/41/353535841.db2.gz WZEFUHWOXKIQMR-UHFFFAOYSA-N 1 0 249.336 -1.077 20 0 BAADRO CN(C(=O)CCNS(C)(=O)=O)C1CC([NH3+])C1 ZINC000563809811 323178470 /nfs/dbraw/zinc/17/84/70/323178470.db2.gz ARWNHDYHPAJZCD-UHFFFAOYSA-N 1 0 249.336 -1.126 20 0 BAADRO CC[C@@H]([NH3+])CNC(=O)CN1CCCS1(=O)=O ZINC000563810368 323178496 /nfs/dbraw/zinc/17/84/96/323178496.db2.gz NFHBADDPDHJSDZ-MRVPVSSYSA-N 1 0 249.336 -1.125 20 0 BAADRO CC[C@H]([NH3+])CNC(=O)CN1CCCS1(=O)=O ZINC000563810370 323178442 /nfs/dbraw/zinc/17/84/42/323178442.db2.gz NFHBADDPDHJSDZ-QMMMGPOBSA-N 1 0 249.336 -1.125 20 0 BAADRO CN(CC(=O)N1CCNC(=O)C1)[C@@H]1CC[NH2+]C1 ZINC000563811580 323178749 /nfs/dbraw/zinc/17/87/49/323178749.db2.gz CFSAVKYXEKCABO-SECBINFHSA-N 1 0 240.307 -1.762 20 0 BAADRO CN(CC(=O)N1CCNC(=O)C1)[C@H]1CC[NH2+]C1 ZINC000563811581 323178640 /nfs/dbraw/zinc/17/86/40/323178640.db2.gz CFSAVKYXEKCABO-VIFPVBQESA-N 1 0 240.307 -1.762 20 0 BAADRO O=C(N[C@H]1CC[NH2+]C1)N1CCNC(=O)CC1 ZINC000563821937 323179330 /nfs/dbraw/zinc/17/93/30/323179330.db2.gz MNAPZLDXFRASOQ-QMMMGPOBSA-N 1 0 226.280 -1.120 20 0 BAADRO COC(=O)C[C@H]([NH3+])C(=O)NCC(F)(F)CN ZINC000563885943 323183251 /nfs/dbraw/zinc/18/32/51/323183251.db2.gz HUMQKJUXBDDFNR-YFKPBYRVSA-N 1 0 239.222 -1.413 20 0 BAADRO C[C@H]([NH3+])C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000563889725 323183964 /nfs/dbraw/zinc/18/39/64/323183964.db2.gz RPZARTLWXOGMJI-LURJTMIESA-N 1 0 225.252 -1.397 20 0 BAADRO COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)[C@H]1CC[NH2+]1 ZINC000563890583 323186725 /nfs/dbraw/zinc/18/67/25/323186725.db2.gz ZWGJTSYWGKFOJH-HLTSFMKQSA-N 1 0 242.275 -1.127 20 0 BAADRO COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)[C@H]1CC[NH2+]1 ZINC000563890594 323186642 /nfs/dbraw/zinc/18/66/42/323186642.db2.gz ZWGJTSYWGKFOJH-HRDYMLBCSA-N 1 0 242.275 -1.127 20 0 BAADRO COC(=O)[C@H]1[C@H](O)CCCN1C(=O)[C@H]1CC[NH2+]1 ZINC000563890595 355378165 /nfs/dbraw/zinc/37/81/65/355378165.db2.gz ZWGJTSYWGKFOJH-IWSPIJDZSA-N 1 0 242.275 -1.127 20 0 BAADRO COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)[C@H]1CC[NH2+]1 ZINC000563890599 323186651 /nfs/dbraw/zinc/18/66/51/323186651.db2.gz ZWGJTSYWGKFOJH-VGMNWLOBSA-N 1 0 242.275 -1.127 20 0 BAADRO CN(C)S(=O)(=O)CC(=O)N(C)CC[NH3+] ZINC000563957937 323331898 /nfs/dbraw/zinc/33/18/98/323331898.db2.gz WBYGMWXTNYCDOG-UHFFFAOYSA-N 1 0 223.298 -1.705 20 0 BAADRO C[C@@H]1CC[N@H+](CC(=O)NCCOCC(N)=O)C1 ZINC000563972382 323336294 /nfs/dbraw/zinc/33/62/94/323336294.db2.gz UCYJLLSTVVISFW-SECBINFHSA-N 1 0 243.307 -1.054 20 0 BAADRO C[C@H]1CC[N@H+](CC(=O)NCCOCC(N)=O)C1 ZINC000563972385 323336435 /nfs/dbraw/zinc/33/64/35/323336435.db2.gz UCYJLLSTVVISFW-VIFPVBQESA-N 1 0 243.307 -1.054 20 0 BAADRO Nc1ccnc(CNC(=O)[C@H]2C[C@H]2[NH3+])n1 ZINC000564081920 411972113 /nfs/dbraw/zinc/97/21/13/411972113.db2.gz NTMYTYVTOYSDKN-NTSWFWBYSA-N 1 0 207.237 -0.978 20 0 BAADRO CC1(C(=O)NCCC(=O)NC(N)=O)C[NH2+]C1 ZINC000564082013 323423665 /nfs/dbraw/zinc/42/36/65/323423665.db2.gz PRQBXTWMUSIMEQ-UHFFFAOYSA-N 1 0 228.252 -1.703 20 0 BAADRO O=C(NC[C@H]1CCCO1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000564100355 358861103 /nfs/dbraw/zinc/86/11/03/358861103.db2.gz KQLMHBJEJCOGBQ-DTWKUNHWSA-N 1 0 241.291 -1.240 20 0 BAADRO O=C(NC[C@@H]1CCCO1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000564100356 358860908 /nfs/dbraw/zinc/86/09/08/358860908.db2.gz KQLMHBJEJCOGBQ-IUCAKERBSA-N 1 0 241.291 -1.240 20 0 BAADRO CCS(=O)(=O)NCC(=O)N[C@H](C)C[NH3+] ZINC000564209575 388710437 /nfs/dbraw/zinc/71/04/37/388710437.db2.gz XGMNNVXZVPGDHL-ZCFIWIBFSA-N 1 0 223.298 -1.611 20 0 BAADRO CCN(CCO)CC[NH2+]CCC(N)=O ZINC000564210370 388722122 /nfs/dbraw/zinc/72/21/22/388722122.db2.gz CJEGLTMNSNTIBU-UHFFFAOYSA-N 1 0 203.286 -1.234 20 0 BAADRO Cn1cc(N2C(=O)C[C@@H]([NH2+]CCO)C2=O)cn1 ZINC000564219954 388766206 /nfs/dbraw/zinc/76/62/06/388766206.db2.gz FLYBHAXABQUSGV-MRVPVSSYSA-N 1 0 238.247 -1.366 20 0 BAADRO Cn1cc(N2C(=O)C[C@H]([NH2+]CCO)C2=O)cn1 ZINC000564219961 324846231 /nfs/dbraw/zinc/84/62/31/324846231.db2.gz FLYBHAXABQUSGV-QMMMGPOBSA-N 1 0 238.247 -1.366 20 0 BAADRO CC(C)(C[NH2+]CCC(=O)NC(N)=O)OCCO ZINC000564330827 364427894 /nfs/dbraw/zinc/42/78/94/364427894.db2.gz OCXRSZQSLALKQG-UHFFFAOYSA-N 1 0 247.295 -1.052 20 0 BAADRO COC[C@@H](O)CN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000564344384 388523441 /nfs/dbraw/zinc/52/34/41/388523441.db2.gz QHQCPVMKRJYQBV-GUBZILKMSA-N 1 0 218.297 -1.400 20 0 BAADRO CCOCC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000564352998 388544528 /nfs/dbraw/zinc/54/45/28/388544528.db2.gz YSGFADQZWAHYEL-BDAKNGLRSA-N 1 0 241.291 -1.207 20 0 BAADRO CCOCC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000564353000 388544378 /nfs/dbraw/zinc/54/43/78/388544378.db2.gz YSGFADQZWAHYEL-DTWKUNHWSA-N 1 0 241.291 -1.207 20 0 BAADRO CCOCC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000564353002 388544481 /nfs/dbraw/zinc/54/44/81/388544481.db2.gz YSGFADQZWAHYEL-IUCAKERBSA-N 1 0 241.291 -1.207 20 0 BAADRO CCOCC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000564353003 325464401 /nfs/dbraw/zinc/46/44/01/325464401.db2.gz YSGFADQZWAHYEL-RKDXNWHRSA-N 1 0 241.291 -1.207 20 0 BAADRO CC[N@H+](C)C[C@@H](O)CN(C)Cc1nnnn1C ZINC000564466140 384962071 /nfs/dbraw/zinc/96/20/71/384962071.db2.gz ZIDAFUUDLCBRHC-SECBINFHSA-N 1 0 242.327 -1.046 20 0 BAADRO CC[N@H+](C)C[C@H](O)CN(C)Cc1nnnn1C ZINC000564466142 384962147 /nfs/dbraw/zinc/96/21/47/384962147.db2.gz ZIDAFUUDLCBRHC-VIFPVBQESA-N 1 0 242.327 -1.046 20 0 BAADRO C[NH2+][C@@H]1CC(=O)N(CCOCCO)C1=O ZINC000564580549 325796995 /nfs/dbraw/zinc/79/69/95/325796995.db2.gz GPFIROYEQRTENS-SSDOTTSWSA-N 1 0 216.237 -1.658 20 0 BAADRO C[NH2+][C@H]1CC(=O)N(CCOCCO)C1=O ZINC000564580555 388879281 /nfs/dbraw/zinc/87/92/81/388879281.db2.gz GPFIROYEQRTENS-ZETCQYMHSA-N 1 0 216.237 -1.658 20 0 BAADRO O=C(CN1CN=NC1=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000564656433 325801314 /nfs/dbraw/zinc/80/13/14/325801314.db2.gz ZDWQNACJLMBQGR-OCAPTIKFSA-N 1 0 237.263 -1.339 20 0 BAADRO C[N@@H+]([C@@H]1COC[C@H]1O)[C@H]1COC[C@H]1O ZINC000564673678 383866289 /nfs/dbraw/zinc/86/62/89/383866289.db2.gz JHNUQSLMUFKCGR-BZNPZCIMSA-N 1 0 203.238 -1.562 20 0 BAADRO C[NH+]([C@@H]1COC[C@H]1O)[C@@H]1COC[C@H]1O ZINC000564673679 383865301 /nfs/dbraw/zinc/86/53/01/383865301.db2.gz JHNUQSLMUFKCGR-FNCVBFRFSA-N 1 0 203.238 -1.562 20 0 BAADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CN(C)S(C)(=O)=O ZINC000564841378 388893273 /nfs/dbraw/zinc/89/32/73/388893273.db2.gz VOQCRGANSGKYMX-YUMQZZPRSA-N 1 0 249.336 -1.174 20 0 BAADRO CN1CCC[C@@H]([NH2+]CCC(=O)NC(N)=O)C1=O ZINC000564850235 388893801 /nfs/dbraw/zinc/89/38/01/388893801.db2.gz RABYDYNYZLIIRS-SSDOTTSWSA-N 1 0 242.279 -1.218 20 0 BAADRO CN1CCC[C@H]([NH2+]CCC(=O)NC(N)=O)C1=O ZINC000564850236 388893704 /nfs/dbraw/zinc/89/37/04/388893704.db2.gz RABYDYNYZLIIRS-ZETCQYMHSA-N 1 0 242.279 -1.218 20 0 BAADRO CCO[C@@H]1COC[C@H]1[NH2+]CCC(=O)NC(N)=O ZINC000564859871 343737732 /nfs/dbraw/zinc/73/77/32/343737732.db2.gz IYTFUOFLIZCFGM-HTQZYQBOSA-N 1 0 245.279 -1.035 20 0 BAADRO COC[C@H](O)C[NH2+]CCN1CCNC(=O)C1 ZINC000564873724 325821489 /nfs/dbraw/zinc/82/14/89/325821489.db2.gz RIJDCWDUNIYQME-SECBINFHSA-N 1 0 231.296 -1.985 20 0 BAADRO COC[C@H](NC(=O)CC[NH3+])C(=O)OC ZINC000564931375 325828237 /nfs/dbraw/zinc/82/82/37/325828237.db2.gz HVDNBVPLSQFZQG-LURJTMIESA-N 1 0 204.226 -1.361 20 0 BAADRO COC[C@@H](NC(=O)CC[NH3+])C(=O)OC ZINC000564931379 388898196 /nfs/dbraw/zinc/89/81/96/388898196.db2.gz HVDNBVPLSQFZQG-ZCFIWIBFSA-N 1 0 204.226 -1.361 20 0 BAADRO COC[C@@H](NC(=O)[C@H]1CC[NH2+]1)C(=O)OC ZINC000564931668 325828323 /nfs/dbraw/zinc/82/83/23/325828323.db2.gz MIMWOXAVIHIQAQ-RNFRBKRXSA-N 1 0 216.237 -1.348 20 0 BAADRO COC[C@H](NC(=O)[C@H]1CC[NH2+]1)C(=O)OC ZINC000564931673 388898004 /nfs/dbraw/zinc/89/80/04/388898004.db2.gz MIMWOXAVIHIQAQ-RQJHMYQMSA-N 1 0 216.237 -1.348 20 0 BAADRO CC[C@H](C)[C@H]([NH3+])C(=O)NC1=NCC(=O)N1 ZINC000564938439 325829611 /nfs/dbraw/zinc/82/96/11/325829611.db2.gz YKEJEJWOUPBPGT-FSPLSTOPSA-N 1 0 212.253 -1.038 20 0 BAADRO [NH3+]CCCC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000564939223 325830118 /nfs/dbraw/zinc/83/01/18/325830118.db2.gz ANZTXUAQCYHOJJ-UHFFFAOYSA-N 1 0 239.279 -1.005 20 0 BAADRO O=C(NCCn1ncnn1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000564939928 325830207 /nfs/dbraw/zinc/83/02/07/325830207.db2.gz KOBKQHOPESGSRG-PSASIEDQSA-N 1 0 236.279 -1.211 20 0 BAADRO O=C(NCCn1ncnn1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000564939929 325830317 /nfs/dbraw/zinc/83/03/17/325830317.db2.gz KOBKQHOPESGSRG-SCZZXKLOSA-N 1 0 236.279 -1.211 20 0 BAADRO CNC(=O)[C@H]1CN(C(=O)C2([NH3+])CCC2)CCO1 ZINC000564939970 388900385 /nfs/dbraw/zinc/90/03/85/388900385.db2.gz LLRSLNXTLSIGLW-MRVPVSSYSA-N 1 0 241.291 -1.159 20 0 BAADRO CNC(=O)[C@@H]1CN(C(=O)C2([NH3+])CCC2)CCO1 ZINC000564939972 388900144 /nfs/dbraw/zinc/90/01/44/388900144.db2.gz LLRSLNXTLSIGLW-QMMMGPOBSA-N 1 0 241.291 -1.159 20 0 BAADRO O=C(NCCn1ncnn1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000564940169 388899994 /nfs/dbraw/zinc/89/99/94/388899994.db2.gz KOBKQHOPESGSRG-WCBMZHEXSA-N 1 0 236.279 -1.211 20 0 BAADRO O=C(NCCn1ncnn1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000564940170 388899740 /nfs/dbraw/zinc/89/97/40/388899740.db2.gz KOBKQHOPESGSRG-WPRPVWTQSA-N 1 0 236.279 -1.211 20 0 BAADRO CNC(=O)[C@@H]1CN(C(=O)[C@H](C)C[NH2+]C)CCO1 ZINC000564943077 325830550 /nfs/dbraw/zinc/83/05/50/325830550.db2.gz UWQJAWKGSIZISB-BDAKNGLRSA-N 1 0 243.307 -1.185 20 0 BAADRO CNC(=O)[C@H]1CN(C(=O)[C@@H](C)C[NH2+]C)CCO1 ZINC000564943078 388899632 /nfs/dbraw/zinc/89/96/32/388899632.db2.gz UWQJAWKGSIZISB-DTWKUNHWSA-N 1 0 243.307 -1.185 20 0 BAADRO CNC(=O)[C@@H]1CN(C(=O)[C@@H](C)C[NH2+]C)CCO1 ZINC000564943079 388900468 /nfs/dbraw/zinc/90/04/68/388900468.db2.gz UWQJAWKGSIZISB-IUCAKERBSA-N 1 0 243.307 -1.185 20 0 BAADRO CNC(=O)[C@H]1CN(C(=O)[C@H](C)C[NH2+]C)CCO1 ZINC000564943080 388899991 /nfs/dbraw/zinc/89/99/91/388899991.db2.gz UWQJAWKGSIZISB-RKDXNWHRSA-N 1 0 243.307 -1.185 20 0 BAADRO CC(C)[C@H]([NH3+])CNC(=O)Cn1ncn(C)c1=O ZINC000564944966 325831382 /nfs/dbraw/zinc/83/13/82/325831382.db2.gz XSNSSBWSXNIASL-MRVPVSSYSA-N 1 0 241.295 -1.319 20 0 BAADRO CC(C)[C@@H]([NH3+])CNC(=O)Cn1ncn(C)c1=O ZINC000564944967 325831727 /nfs/dbraw/zinc/83/17/27/325831727.db2.gz XSNSSBWSXNIASL-QMMMGPOBSA-N 1 0 241.295 -1.319 20 0 BAADRO CC(C)[C@H]([NH3+])CNC(=O)CN1CCNCC1=O ZINC000564945186 325831568 /nfs/dbraw/zinc/83/15/68/325831568.db2.gz UOPGRICMSHCCMA-SECBINFHSA-N 1 0 242.323 -1.482 20 0 BAADRO CC(C)[C@@H]([NH3+])CNC(=O)CN1CCNCC1=O ZINC000564945187 388899895 /nfs/dbraw/zinc/89/98/95/388899895.db2.gz UOPGRICMSHCCMA-VIFPVBQESA-N 1 0 242.323 -1.482 20 0 BAADRO CCS(=O)(=O)NCC(=O)N1CC[NH2+]C[C@@H]1C ZINC000564949696 322978291 /nfs/dbraw/zinc/97/82/91/322978291.db2.gz ULUXCUMOOOWHSB-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO COCC[NH2+]CCNC(=O)CN1CN=NC1=O ZINC000564950143 325832120 /nfs/dbraw/zinc/83/21/20/325832120.db2.gz VTSMVVITYFAHQK-UHFFFAOYSA-N 1 0 243.267 -1.664 20 0 BAADRO CN(CC[NH3+])C(=O)CCN1C(=O)CCC1=O ZINC000564951634 388901347 /nfs/dbraw/zinc/90/13/47/388901347.db2.gz QBPSTANVOYRFRT-UHFFFAOYSA-N 1 0 227.264 -1.057 20 0 BAADRO O=C(CN1CCOCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000564953341 385136125 /nfs/dbraw/zinc/13/61/25/385136125.db2.gz AVXXRNMOLAQHOD-PHIMTYICSA-N 1 0 239.319 -1.004 20 0 BAADRO C[C@H]([NH3+])[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC000564957352 388901375 /nfs/dbraw/zinc/90/13/75/388901375.db2.gz BWLHCUISYGTXFY-BQBZGAKWSA-N 1 0 237.325 -1.270 20 0 BAADRO C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](C)[NH3+] ZINC000564957353 325824022 /nfs/dbraw/zinc/82/40/22/325824022.db2.gz BWLHCUISYGTXFY-NKWVEPMBSA-N 1 0 237.325 -1.270 20 0 BAADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC000564957354 388897113 /nfs/dbraw/zinc/89/71/13/388897113.db2.gz BWLHCUISYGTXFY-RNFRBKRXSA-N 1 0 237.325 -1.270 20 0 BAADRO C[C@@H]([NH3+])[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC000564957355 388896745 /nfs/dbraw/zinc/89/67/45/388896745.db2.gz BWLHCUISYGTXFY-RQJHMYQMSA-N 1 0 237.325 -1.270 20 0 BAADRO Cc1cnn(C)c1S(=O)(=O)NCC[NH3+] ZINC000564958212 322981220 /nfs/dbraw/zinc/98/12/20/322981220.db2.gz SXBBKSJVIBUXIB-UHFFFAOYSA-N 1 0 218.282 -1.034 20 0 BAADRO Cn1ccc(S(=O)(=O)NC2C[NH2+]C2)n1 ZINC000564959030 322981524 /nfs/dbraw/zinc/98/15/24/322981524.db2.gz QSLMFPRPHJQCSY-UHFFFAOYSA-N 1 0 216.266 -1.330 20 0 BAADRO CCOC[C@@H](O)C[NH2+][C@H](CO)[C@@H](C)O ZINC000564974607 325837907 /nfs/dbraw/zinc/83/79/07/325837907.db2.gz GVOALMOUFIEJNL-HRDYMLBCSA-N 1 0 207.270 -1.285 20 0 BAADRO CCOC[C@H](O)C[NH2+][C@H](CO)[C@@H](C)O ZINC000564974613 388903553 /nfs/dbraw/zinc/90/35/53/388903553.db2.gz GVOALMOUFIEJNL-IWSPIJDZSA-N 1 0 207.270 -1.285 20 0 BAADRO O[C@@H](C[NH2+][C@@H]1C[C@H](O)C1)CN1CCOCC1 ZINC000564975019 325838212 /nfs/dbraw/zinc/83/82/12/325838212.db2.gz LBDRKDMCLPNDEI-AXFHLTTASA-N 1 0 230.308 -1.208 20 0 BAADRO O[C@H](C[NH2+][C@@H]1C[C@H](O)C1)CN1CCOCC1 ZINC000564975020 325838107 /nfs/dbraw/zinc/83/81/07/325838107.db2.gz LBDRKDMCLPNDEI-OUAUKWLOSA-N 1 0 230.308 -1.208 20 0 BAADRO NC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000564992276 388906038 /nfs/dbraw/zinc/90/60/38/388906038.db2.gz KAXFQWCAJCWKID-GJMOJQLCSA-N 1 0 226.280 -1.007 20 0 BAADRO NC(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000564992279 388907129 /nfs/dbraw/zinc/90/71/29/388907129.db2.gz KAXFQWCAJCWKID-RNJXMRFFSA-N 1 0 226.280 -1.007 20 0 BAADRO CCOC(=O)CN(CC(N)=O)C(=O)[C@H]([NH3+])CC ZINC000564994075 388907145 /nfs/dbraw/zinc/90/71/45/388907145.db2.gz KLHDALBXSJIKIG-SSDOTTSWSA-N 1 0 245.279 -1.399 20 0 BAADRO C[NH2+]C[C@@](C)(O)CN1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000565093233 388913532 /nfs/dbraw/zinc/91/35/32/388913532.db2.gz KJFDKYYOAZRHAN-FXPVBKGRSA-N 1 0 245.323 -1.469 20 0 BAADRO C[NH2+]C[C@](C)(O)CN1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000565093242 388913237 /nfs/dbraw/zinc/91/32/37/388913237.db2.gz KJFDKYYOAZRHAN-KKZNHRDASA-N 1 0 245.323 -1.469 20 0 BAADRO C[NH2+]C[C@@](C)(O)CN1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000565093243 388913011 /nfs/dbraw/zinc/91/30/11/388913011.db2.gz KJFDKYYOAZRHAN-WCABBAIRSA-N 1 0 245.323 -1.469 20 0 BAADRO C[NH2+]C[C@](C)(O)CN1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000565093245 388913754 /nfs/dbraw/zinc/91/37/54/388913754.db2.gz KJFDKYYOAZRHAN-YWVKMMECSA-N 1 0 245.323 -1.469 20 0 BAADRO CC(C)(C)NC(=O)NC(=O)C[NH2+]C(CO)CO ZINC000565160408 323438162 /nfs/dbraw/zinc/43/81/62/323438162.db2.gz CEIUYJZMLSKFMD-UHFFFAOYSA-N 1 0 247.295 -1.447 20 0 BAADRO COC[C@@](C)(O)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000565199118 325873560 /nfs/dbraw/zinc/87/35/60/325873560.db2.gz NDHNEFYPMISRNN-ATZCPNFKSA-N 1 0 246.307 -1.483 20 0 BAADRO COC[C@](C)(O)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000565199122 325873396 /nfs/dbraw/zinc/87/33/96/325873396.db2.gz NDHNEFYPMISRNN-QXEWZRGKSA-N 1 0 246.307 -1.483 20 0 BAADRO C[NH+](C)[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O ZINC000565199142 325873665 /nfs/dbraw/zinc/87/36/65/325873665.db2.gz NJXXAMALKUZGCK-BQBZGAKWSA-N 1 0 215.253 -2.005 20 0 BAADRO COCC(=O)N(C)CC(=O)N[C@H]1CC[NH2+]C1 ZINC000565249513 388931933 /nfs/dbraw/zinc/93/19/33/388931933.db2.gz JOAAQQKPRGAYNS-QMMMGPOBSA-N 1 0 229.280 -1.431 20 0 BAADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@H]1CO ZINC000565252125 388932058 /nfs/dbraw/zinc/93/20/58/388932058.db2.gz APKMDGLQYSYQJX-IUCAKERBSA-N 1 0 241.291 -1.552 20 0 BAADRO C[C@H]1CN(C(=O)CC[NH3+])CCN1S(C)(=O)=O ZINC000565301509 323081650 /nfs/dbraw/zinc/08/16/50/323081650.db2.gz DXELPSTWVXPPGT-QMMMGPOBSA-N 1 0 249.336 -1.173 20 0 BAADRO O=C(NCCN1CC[NH2+]CC1)[C@H]1CSCN1 ZINC000565302301 388936422 /nfs/dbraw/zinc/93/64/22/388936422.db2.gz BQYSQDNGVQFUPW-SECBINFHSA-N 1 0 244.364 -1.330 20 0 BAADRO CNC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])C(C)C)CCO1 ZINC000565302748 388936244 /nfs/dbraw/zinc/93/62/44/388936244.db2.gz NLBXCQCGAIGMAL-BDAKNGLRSA-N 1 0 243.307 -1.057 20 0 BAADRO CNC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])C(C)C)CCO1 ZINC000565302762 388936210 /nfs/dbraw/zinc/93/62/10/388936210.db2.gz NLBXCQCGAIGMAL-IUCAKERBSA-N 1 0 243.307 -1.057 20 0 BAADRO CC[C@@H]([NH3+])CNC(=O)CN(C)S(C)(=O)=O ZINC000565303345 388935698 /nfs/dbraw/zinc/93/56/98/388935698.db2.gz MWNHECKHRSQXNN-SSDOTTSWSA-N 1 0 237.325 -1.269 20 0 BAADRO CC[C@H]([NH3+])CNC(=O)CN(C)S(C)(=O)=O ZINC000565303355 325893596 /nfs/dbraw/zinc/89/35/96/325893596.db2.gz MWNHECKHRSQXNN-ZETCQYMHSA-N 1 0 237.325 -1.269 20 0 BAADRO CCS(=O)(=O)NCC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000565303555 325892395 /nfs/dbraw/zinc/89/23/95/325892395.db2.gz PCEGPCAUAYFSBK-BQBZGAKWSA-N 1 0 237.325 -1.222 20 0 BAADRO CCS(=O)(=O)NCC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000565303556 325892283 /nfs/dbraw/zinc/89/22/83/325892283.db2.gz PCEGPCAUAYFSBK-NKWVEPMBSA-N 1 0 237.325 -1.222 20 0 BAADRO CCS(=O)(=O)NCC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000565303558 325892408 /nfs/dbraw/zinc/89/24/08/325892408.db2.gz PCEGPCAUAYFSBK-RNFRBKRXSA-N 1 0 237.325 -1.222 20 0 BAADRO CCS(=O)(=O)NCC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000565303570 325892108 /nfs/dbraw/zinc/89/21/08/325892108.db2.gz PCEGPCAUAYFSBK-RQJHMYQMSA-N 1 0 237.325 -1.222 20 0 BAADRO O=C1CCCN1CC[NH2+]C(CO)CO ZINC000565370748 325902409 /nfs/dbraw/zinc/90/24/09/325902409.db2.gz LCABOSWBXKMLNB-UHFFFAOYSA-N 1 0 202.254 -1.448 20 0 BAADRO CN(Cc1nnnn1C)C(=O)C1(C)C[NH2+]C1 ZINC000565416606 323105587 /nfs/dbraw/zinc/10/55/87/323105587.db2.gz WMSPXLDSHMFXJB-UHFFFAOYSA-N 1 0 224.268 -1.222 20 0 BAADRO Cn1nnnc1CN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000565432497 388944515 /nfs/dbraw/zinc/94/45/15/388944515.db2.gz ZVHUTHYKLSSSMT-YUMQZZPRSA-N 1 0 226.284 -1.683 20 0 BAADRO COC[C@H](CO)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000565432586 325911212 /nfs/dbraw/zinc/91/12/12/325911212.db2.gz VUDJWMNRRVUORD-YUMQZZPRSA-N 1 0 217.269 -1.345 20 0 BAADRO O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)C(=O)NC1C[NH2+]C1 ZINC000565529904 384422271 /nfs/dbraw/zinc/42/22/71/384422271.db2.gz ABIIHDOZYRVXRZ-AYMMMOKOSA-N 1 0 223.276 -1.011 20 0 BAADRO O=C(N[C@H]1[C@@H]2CCC[C@@H]21)C(=O)NC1C[NH2+]C1 ZINC000565529908 322914829 /nfs/dbraw/zinc/91/48/29/322914829.db2.gz ABIIHDOZYRVXRZ-BRPSZJMVSA-N 1 0 223.276 -1.011 20 0 BAADRO Cn1cc(CN2C[C@H](O)[C@@H]([NH+](C)C)C2)nn1 ZINC000565548674 388953063 /nfs/dbraw/zinc/95/30/63/388953063.db2.gz JCVZAEVQLGDRPP-UWVGGRQHSA-N 1 0 225.296 -1.078 20 0 BAADRO [NH3+]CCC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000565595580 325932372 /nfs/dbraw/zinc/93/23/72/325932372.db2.gz GMJYDGMFLXGKBC-UHFFFAOYSA-N 1 0 225.252 -1.396 20 0 BAADRO COC(=O)CCNC(=O)CN1CC[C@H]([NH3+])C1 ZINC000565657819 388959746 /nfs/dbraw/zinc/95/97/46/388959746.db2.gz CLHXXVDRPOFFNL-QMMMGPOBSA-N 1 0 229.280 -1.301 20 0 BAADRO CCOC(=O)CN(CC(N)=O)C(=O)[C@@H]([NH3+])CC ZINC000565659521 325940203 /nfs/dbraw/zinc/94/02/03/325940203.db2.gz KLHDALBXSJIKIG-ZETCQYMHSA-N 1 0 245.279 -1.399 20 0 BAADRO COCC[N@H+](C)C[C@@H](O)Cn1nnnc1C ZINC000565668002 388961577 /nfs/dbraw/zinc/96/15/77/388961577.db2.gz SDKKHMHYNDODFA-SECBINFHSA-N 1 0 229.284 -1.079 20 0 BAADRO COCC[N@H+](C)C[C@H](O)Cn1nnnc1C ZINC000565668010 388959667 /nfs/dbraw/zinc/95/96/67/388959667.db2.gz SDKKHMHYNDODFA-VIFPVBQESA-N 1 0 229.284 -1.079 20 0 BAADRO COC(=O)C[C@H]([NH3+])C(=O)N[C@H](C)C(=O)OC ZINC000565714016 325947053 /nfs/dbraw/zinc/94/70/53/325947053.db2.gz DGSVCOCENMTWJB-RITPCOANSA-N 1 0 232.236 -1.446 20 0 BAADRO C[NH2+]CC(=O)N1CCCN(CCOC)C(=O)C1 ZINC000565773587 325955104 /nfs/dbraw/zinc/95/51/04/325955104.db2.gz QMDBSTAFTABONQ-UHFFFAOYSA-N 1 0 243.307 -1.087 20 0 BAADRO CN(CC[NH3+])C(=O)C(C)(C)NS(C)(=O)=O ZINC000565774375 388968502 /nfs/dbraw/zinc/96/85/02/388968502.db2.gz VONOCNODIGSGMS-UHFFFAOYSA-N 1 0 237.325 -1.269 20 0 BAADRO C[NH2+]CCC(=O)N1CCN(CCOC)C(=O)C1 ZINC000565832130 325962212 /nfs/dbraw/zinc/96/22/12/325962212.db2.gz MUYFRKGRLBFWOD-UHFFFAOYSA-N 1 0 243.307 -1.087 20 0 BAADRO CCOC(=O)[C@](C)(O)C[NH2+]C(CO)CO ZINC000565841647 385232212 /nfs/dbraw/zinc/23/22/12/385232212.db2.gz HKRPSEDNZGPYEP-SECBINFHSA-N 1 0 221.253 -1.757 20 0 BAADRO CCOC(=O)[C@@](C)(O)C[NH2+]C(CO)CO ZINC000565841648 322944185 /nfs/dbraw/zinc/94/41/85/322944185.db2.gz HKRPSEDNZGPYEP-VIFPVBQESA-N 1 0 221.253 -1.757 20 0 BAADRO COC(=O)CCNC(=O)CN1CC[NH2+]C[C@H]1C ZINC000565892686 388974407 /nfs/dbraw/zinc/97/44/07/388974407.db2.gz QGUACKSSLHLKHE-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO COC[C@@H](NC(=O)COC1C[NH2+]C1)C(=O)OC ZINC000565949582 325977583 /nfs/dbraw/zinc/97/75/83/325977583.db2.gz QUQGZHGOAYLEQZ-MRVPVSSYSA-N 1 0 246.263 -1.721 20 0 BAADRO COC[C@H](NC(=O)COC1C[NH2+]C1)C(=O)OC ZINC000565949588 388980318 /nfs/dbraw/zinc/98/03/18/388980318.db2.gz QUQGZHGOAYLEQZ-QMMMGPOBSA-N 1 0 246.263 -1.721 20 0 BAADRO CCN(CCO)CC[NH2+]C[C@@H](O)COC ZINC000565950830 388981224 /nfs/dbraw/zinc/98/12/24/388981224.db2.gz LRNRHOKESIKAAM-SNVBAGLBSA-N 1 0 220.313 -1.103 20 0 BAADRO O=C(CN1CCNCC1=O)N[C@H]1CC[NH2+]C1 ZINC000565962822 388982000 /nfs/dbraw/zinc/98/20/00/388982000.db2.gz LVDNLVSFNWDDGU-QMMMGPOBSA-N 1 0 226.280 -2.104 20 0 BAADRO CC(C)(C[NH3+])NC(=O)CN1CCNCC1=O ZINC000566009794 388983378 /nfs/dbraw/zinc/98/33/78/388983378.db2.gz MBGNYTQOGJGARE-UHFFFAOYSA-N 1 0 228.296 -1.728 20 0 BAADRO CN1CCN(C(=O)C(=O)NCCC[NH3+])CC1=O ZINC000566074130 364713801 /nfs/dbraw/zinc/71/38/01/364713801.db2.gz MYELEVFOXOKJME-UHFFFAOYSA-N 1 0 242.279 -2.248 20 0 BAADRO Cc1[nH][nH]c(=O)c1CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000566094770 388987441 /nfs/dbraw/zinc/98/74/41/388987441.db2.gz IUFNCTBGORNMIH-PRJMDXOYSA-N 1 0 224.264 -1.038 20 0 BAADRO Cc1[nH][nH]c(=O)c1CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000566094771 388987057 /nfs/dbraw/zinc/98/70/57/388987057.db2.gz IUFNCTBGORNMIH-RNJXMRFFSA-N 1 0 224.264 -1.038 20 0 BAADRO COCC(=O)N(C)CC(=O)N[C@H](C[NH3+])C1CC1 ZINC000566098657 325994468 /nfs/dbraw/zinc/99/44/68/325994468.db2.gz JVLXFVYLPFAMIT-SECBINFHSA-N 1 0 243.307 -1.055 20 0 BAADRO COCC(=O)N(C)CC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000566098659 325994616 /nfs/dbraw/zinc/99/46/16/325994616.db2.gz JVLXFVYLPFAMIT-VIFPVBQESA-N 1 0 243.307 -1.055 20 0 BAADRO C[NH2+][C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC000566099234 325994502 /nfs/dbraw/zinc/99/45/02/325994502.db2.gz CHKJGOMGHPLENS-MRVPVSSYSA-N 1 0 239.279 -1.598 20 0 BAADRO C[NH2+][C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC000566099235 325994565 /nfs/dbraw/zinc/99/45/65/325994565.db2.gz CHKJGOMGHPLENS-QMMMGPOBSA-N 1 0 239.279 -1.598 20 0 BAADRO CN1C[C@@H]([NH2+]CCC(=O)NC(N)=O)CC1=O ZINC000566108480 388988424 /nfs/dbraw/zinc/98/84/24/388988424.db2.gz AYKHGOCAPVTUEZ-LURJTMIESA-N 1 0 228.252 -1.608 20 0 BAADRO CN1C[C@H]([NH2+]CCC(=O)NC(N)=O)CC1=O ZINC000566108483 325996528 /nfs/dbraw/zinc/99/65/28/325996528.db2.gz AYKHGOCAPVTUEZ-ZCFIWIBFSA-N 1 0 228.252 -1.608 20 0 BAADRO COC[C@H](O)C[NH2+][C@@H]1COC[C@@H]1OC ZINC000566121050 398096551 /nfs/dbraw/zinc/09/65/51/398096551.db2.gz WHJPMXOSGLOGQJ-HLTSFMKQSA-N 1 0 205.254 -1.003 20 0 BAADRO NC(=O)NC(=O)CC[NH2+][C@H]1[C@@H]2COC[C@@H]21 ZINC000566124666 325999713 /nfs/dbraw/zinc/99/97/13/325999713.db2.gz LTOUVMLNMZDJLU-BDINMYNLSA-N 1 0 213.237 -1.194 20 0 BAADRO COC[C@@H](O)C[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000566131525 410076255 /nfs/dbraw/zinc/07/62/55/410076255.db2.gz MUVLCXFRFCWCFP-QMMMGPOBSA-N 1 0 242.279 -1.264 20 0 BAADRO CC1(C(=O)N2CCO[C@@H](C(N)=O)C2)C[NH2+]C1 ZINC000566171182 326006470 /nfs/dbraw/zinc/00/64/70/326006470.db2.gz NJHLWKQZNNYITI-SSDOTTSWSA-N 1 0 227.264 -1.691 20 0 BAADRO CC1(C(=O)N2CCO[C@H](C(N)=O)C2)C[NH2+]C1 ZINC000566171183 326006353 /nfs/dbraw/zinc/00/63/53/326006353.db2.gz NJHLWKQZNNYITI-ZETCQYMHSA-N 1 0 227.264 -1.691 20 0 BAADRO CO[C@@H]1COC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC000566187057 326008751 /nfs/dbraw/zinc/00/87/51/326008751.db2.gz VEFYTTOFAIMJHG-HTQZYQBOSA-N 1 0 238.309 -1.461 20 0 BAADRO C[NH2+]CCC(=O)N[C@H](COC)C(=O)OC ZINC000566188230 326008805 /nfs/dbraw/zinc/00/88/05/326008805.db2.gz XGQNTWBCVLRHKE-SSDOTTSWSA-N 1 0 218.253 -1.100 20 0 BAADRO C[NH2+]CCC(=O)N[C@@H](COC)C(=O)OC ZINC000566188233 326008347 /nfs/dbraw/zinc/00/83/47/326008347.db2.gz XGQNTWBCVLRHKE-ZETCQYMHSA-N 1 0 218.253 -1.100 20 0 BAADRO CO[C@H](C[NH3+])C(=O)N(C)C1CC(O)C1 ZINC000566196096 326010686 /nfs/dbraw/zinc/01/06/86/326010686.db2.gz BDKCVZIPAGXWOX-KAVNDROISA-N 1 0 202.254 -1.058 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)N(C)C1CC(O)C1 ZINC000566196107 326010577 /nfs/dbraw/zinc/01/05/77/326010577.db2.gz BDKCVZIPAGXWOX-RRQHEKLDSA-N 1 0 202.254 -1.058 20 0 BAADRO O=C(CCOC1C[NH2+]C1)NCCn1ncnn1 ZINC000566196919 326011305 /nfs/dbraw/zinc/01/13/05/326011305.db2.gz XNUMOLFXRJTFAJ-UHFFFAOYSA-N 1 0 240.267 -1.832 20 0 BAADRO CNC(=O)[C@H]1CN(C(=O)C(C)(C)C[NH3+])CCO1 ZINC000566197565 326011378 /nfs/dbraw/zinc/01/13/78/326011378.db2.gz IIQUUHYVWFRKCD-MRVPVSSYSA-N 1 0 243.307 -1.055 20 0 BAADRO CNC(=O)[C@@H]1CN(C(=O)C(C)(C)C[NH3+])CCO1 ZINC000566197566 326011316 /nfs/dbraw/zinc/01/13/16/326011316.db2.gz IIQUUHYVWFRKCD-QMMMGPOBSA-N 1 0 243.307 -1.055 20 0 BAADRO COC(=O)C[C@H]([NH3+])C(=O)N1CCN(C)CC1 ZINC000566199061 490203772 /nfs/dbraw/zinc/20/37/72/490203772.db2.gz NJLFUGNWONCLQI-QMMMGPOBSA-N 1 0 229.280 -1.349 20 0 BAADRO CCS(=O)(=O)NCC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000566199692 398099053 /nfs/dbraw/zinc/09/90/53/398099053.db2.gz GMDISHVWMWWJID-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO CCS(=O)(=O)NCC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000566199693 398098946 /nfs/dbraw/zinc/09/89/46/398098946.db2.gz GMDISHVWMWWJID-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO CN(C(=O)CCNS(C)(=O)=O)[C@@H]1CC[NH2+]C1 ZINC000566199774 398099128 /nfs/dbraw/zinc/09/91/28/398099128.db2.gz RXWHIHDOPFODRY-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO CN(C(=O)CCNS(C)(=O)=O)[C@H]1CC[NH2+]C1 ZINC000566199775 326005543 /nfs/dbraw/zinc/00/55/43/326005543.db2.gz RXWHIHDOPFODRY-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO C[C@H]([NH3+])CCNC(=O)CN1CCNCC1=O ZINC000566203777 326012612 /nfs/dbraw/zinc/01/26/12/326012612.db2.gz XLHGFMMDUHQZKD-QMMMGPOBSA-N 1 0 228.296 -1.728 20 0 BAADRO NC(=O)[C@@H]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH2+]2)O1 ZINC000566203876 326011566 /nfs/dbraw/zinc/01/15/66/326011566.db2.gz PAAOVYFBLFMPAO-CIUDSAMLSA-N 1 0 241.291 -1.113 20 0 BAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCC[NH2+]2)O1 ZINC000566203877 326011967 /nfs/dbraw/zinc/01/19/67/326011967.db2.gz PAAOVYFBLFMPAO-HRDYMLBCSA-N 1 0 241.291 -1.113 20 0 BAADRO NC(=O)[C@@H]1CC[C@@H](C(=O)NC[C@H]2CCC[NH2+]2)O1 ZINC000566203878 384183806 /nfs/dbraw/zinc/18/38/06/384183806.db2.gz PAAOVYFBLFMPAO-VGMNWLOBSA-N 1 0 241.291 -1.113 20 0 BAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCC[NH2+]2)O1 ZINC000566203879 384184719 /nfs/dbraw/zinc/18/47/19/384184719.db2.gz PAAOVYFBLFMPAO-XHNCKOQMSA-N 1 0 241.291 -1.113 20 0 BAADRO C[C@@H](CC[NH3+])NC(=O)CN1CN=NC1=O ZINC000566205973 326013029 /nfs/dbraw/zinc/01/30/29/326013029.db2.gz RRZKJDAMGZUTCQ-LURJTMIESA-N 1 0 213.241 -1.163 20 0 BAADRO C[C@H](CC[NH3+])NC(=O)CN1CN=NC1=O ZINC000566205979 326013213 /nfs/dbraw/zinc/01/32/13/326013213.db2.gz RRZKJDAMGZUTCQ-ZCFIWIBFSA-N 1 0 213.241 -1.163 20 0 BAADRO CCS(=O)(=O)NCC(=O)NC[C@H](C)C[NH3+] ZINC000566206382 322969123 /nfs/dbraw/zinc/96/91/23/322969123.db2.gz POLIGRARCJJPPY-SSDOTTSWSA-N 1 0 237.325 -1.363 20 0 BAADRO CCS(=O)(=O)NCC(=O)NC[C@@H](C)C[NH3+] ZINC000566206383 322969019 /nfs/dbraw/zinc/96/90/19/322969019.db2.gz POLIGRARCJJPPY-ZETCQYMHSA-N 1 0 237.325 -1.363 20 0 BAADRO COCC(=O)N(C)CC(=O)N1CC[NH2+]C[C@@H]1C ZINC000566206588 326013218 /nfs/dbraw/zinc/01/32/18/326013218.db2.gz RERKCPNAASOKSB-VIFPVBQESA-N 1 0 243.307 -1.089 20 0 BAADRO C[C@H](CC[NH3+])NC(=O)CS(=O)(=O)N(C)C ZINC000566206689 326013060 /nfs/dbraw/zinc/01/30/60/326013060.db2.gz GVCMFLNKSXNKLY-SSDOTTSWSA-N 1 0 237.325 -1.269 20 0 BAADRO C[C@@H](CC[NH3+])NC(=O)CS(=O)(=O)N(C)C ZINC000566206690 326013295 /nfs/dbraw/zinc/01/32/95/326013295.db2.gz GVCMFLNKSXNKLY-ZETCQYMHSA-N 1 0 237.325 -1.269 20 0 BAADRO CC[C@H]([NH3+])CNC(=O)[C@H](C)NS(C)(=O)=O ZINC000566215239 326015995 /nfs/dbraw/zinc/01/59/95/326015995.db2.gz ZULGGRBZZGLAAW-BQBZGAKWSA-N 1 0 237.325 -1.222 20 0 BAADRO CC[C@@H]([NH3+])CNC(=O)[C@H](C)NS(C)(=O)=O ZINC000566215240 326015877 /nfs/dbraw/zinc/01/58/77/326015877.db2.gz ZULGGRBZZGLAAW-NKWVEPMBSA-N 1 0 237.325 -1.222 20 0 BAADRO CC[C@@H]([NH3+])CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC000566215241 326015695 /nfs/dbraw/zinc/01/56/95/326015695.db2.gz ZULGGRBZZGLAAW-RNFRBKRXSA-N 1 0 237.325 -1.222 20 0 BAADRO CC[C@H]([NH3+])CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC000566215242 326015852 /nfs/dbraw/zinc/01/58/52/326015852.db2.gz ZULGGRBZZGLAAW-RQJHMYQMSA-N 1 0 237.325 -1.222 20 0 BAADRO C[NH2+]CCNS(=O)(=O)c1ccn(C)n1 ZINC000566215351 326015818 /nfs/dbraw/zinc/01/58/18/326015818.db2.gz WZHIKHDAYDOESH-UHFFFAOYSA-N 1 0 218.282 -1.082 20 0 BAADRO COC(=O)CCNC(=O)CN(CC[NH3+])CCO ZINC000566243925 326021515 /nfs/dbraw/zinc/02/15/15/326021515.db2.gz WLHHJONKPASZPN-UHFFFAOYSA-N 1 0 247.295 -2.081 20 0 BAADRO C[NH2+]CCCN1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000566245201 326022599 /nfs/dbraw/zinc/02/25/99/326022599.db2.gz KNZMOMCGCRKCOZ-SECBINFHSA-N 1 0 240.307 -1.762 20 0 BAADRO C[NH2+]CCCN1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000566245202 326022390 /nfs/dbraw/zinc/02/23/90/326022390.db2.gz KNZMOMCGCRKCOZ-VIFPVBQESA-N 1 0 240.307 -1.762 20 0 BAADRO COC(=O)CCNC(=O)CN(C)[C@H](C)C[NH3+] ZINC000566246134 326022755 /nfs/dbraw/zinc/02/27/55/326022755.db2.gz GRKGQMFJNJLZBW-MRVPVSSYSA-N 1 0 231.296 -1.055 20 0 BAADRO COC(=O)CCNC(=O)CN(C)[C@@H](C)C[NH3+] ZINC000566246135 326022953 /nfs/dbraw/zinc/02/29/53/326022953.db2.gz GRKGQMFJNJLZBW-QMMMGPOBSA-N 1 0 231.296 -1.055 20 0 BAADRO CCS(=O)(=O)NCCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000566246178 326022866 /nfs/dbraw/zinc/02/28/66/326022866.db2.gz OJAVZKVHIGUVRY-OCAPTIKFSA-N 1 0 249.336 -1.221 20 0 BAADRO [NH3+][C@H]1C[C@@H](C(=O)NCCN2C(=O)CCC2=O)C1 ZINC000566247154 322979530 /nfs/dbraw/zinc/97/95/30/322979530.db2.gz BEAGIDKJDKMDGW-OCAPTIKFSA-N 1 0 239.275 -1.011 20 0 BAADRO CC[C@@H]([NH3+])CNC(=O)CN1C(=O)CN(C)C1=O ZINC000566250751 326024893 /nfs/dbraw/zinc/02/48/93/326024893.db2.gz FHYKBDRTFSHVIF-SSDOTTSWSA-N 1 0 242.279 -1.266 20 0 BAADRO CC[C@H]([NH3+])CNC(=O)CN1C(=O)CN(C)C1=O ZINC000566250755 326024712 /nfs/dbraw/zinc/02/47/12/326024712.db2.gz FHYKBDRTFSHVIF-ZETCQYMHSA-N 1 0 242.279 -1.266 20 0 BAADRO NC(=O)[C@@H]1CCCN(C(=O)COC2C[NH2+]C2)C1 ZINC000566251929 326024690 /nfs/dbraw/zinc/02/46/90/326024690.db2.gz ZFAGKHQWSDHNNJ-MRVPVSSYSA-N 1 0 241.291 -1.301 20 0 BAADRO NC(=O)[C@H]1CCCN(C(=O)COC2C[NH2+]C2)C1 ZINC000566251936 326024708 /nfs/dbraw/zinc/02/47/08/326024708.db2.gz ZFAGKHQWSDHNNJ-QMMMGPOBSA-N 1 0 241.291 -1.301 20 0 BAADRO C[NH2+]C[C@@](C)(O)CN1CCO[C@H](C(=O)OC)C1 ZINC000566350916 326035402 /nfs/dbraw/zinc/03/54/02/326035402.db2.gz CZWKFMAMOSYXCM-GXSJLCMTSA-N 1 0 246.307 -1.169 20 0 BAADRO C[NH2+]C[C@](C)(O)CN1CCO[C@@H](C(=O)OC)C1 ZINC000566350917 326036283 /nfs/dbraw/zinc/03/62/83/326036283.db2.gz CZWKFMAMOSYXCM-KOLCDFICSA-N 1 0 246.307 -1.169 20 0 BAADRO C[NH2+]C[C@@](C)(O)CN1CCO[C@@H](C(=O)OC)C1 ZINC000566350918 326036238 /nfs/dbraw/zinc/03/62/38/326036238.db2.gz CZWKFMAMOSYXCM-MWLCHTKSSA-N 1 0 246.307 -1.169 20 0 BAADRO C[NH2+]C[C@](C)(O)CN1CCO[C@H](C(=O)OC)C1 ZINC000566350920 326036138 /nfs/dbraw/zinc/03/61/38/326036138.db2.gz CZWKFMAMOSYXCM-ONGXEEELSA-N 1 0 246.307 -1.169 20 0 BAADRO CN(CC[NH3+])C(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000566379002 326038652 /nfs/dbraw/zinc/03/86/52/326038652.db2.gz IBWDVGZFDPYPQA-UHFFFAOYSA-N 1 0 242.279 -2.296 20 0 BAADRO CNC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000566412809 326041501 /nfs/dbraw/zinc/04/15/01/326041501.db2.gz LFTOHZLWXLTLRY-HTQZYQBOSA-N 1 0 239.275 -1.141 20 0 BAADRO CNC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000566412810 326041373 /nfs/dbraw/zinc/04/13/73/326041373.db2.gz LFTOHZLWXLTLRY-JGVFFNPUSA-N 1 0 239.275 -1.141 20 0 BAADRO CNC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000566412811 326041265 /nfs/dbraw/zinc/04/12/65/326041265.db2.gz LFTOHZLWXLTLRY-SFYZADRCSA-N 1 0 239.275 -1.141 20 0 BAADRO CNC(=O)[C@H]1CCC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000566412812 326041495 /nfs/dbraw/zinc/04/14/95/326041495.db2.gz LFTOHZLWXLTLRY-YUMQZZPRSA-N 1 0 239.275 -1.141 20 0 BAADRO CC[N@H+](C)C[C@H](O)CN1CC(C(=O)NC)C1 ZINC000566417474 384417232 /nfs/dbraw/zinc/41/72/32/384417232.db2.gz YJLIFEPULUUTNV-JTQLQIEISA-N 1 0 229.324 -1.023 20 0 BAADRO CC[N@H+](C)C[C@@H](O)CN1CC(C(=O)NC)C1 ZINC000566417478 384416661 /nfs/dbraw/zinc/41/66/61/384416661.db2.gz YJLIFEPULUUTNV-SNVBAGLBSA-N 1 0 229.324 -1.023 20 0 BAADRO CC[N@H+](C)C[C@@H](O)CN(C)CC(=O)NC ZINC000566418149 326043045 /nfs/dbraw/zinc/04/30/45/326043045.db2.gz CBWMWVWICMUAOD-SECBINFHSA-N 1 0 217.313 -1.023 20 0 BAADRO CC[N@H+](C)C[C@H](O)CN(C)CC(=O)NC ZINC000566418151 326043439 /nfs/dbraw/zinc/04/34/39/326043439.db2.gz CBWMWVWICMUAOD-VIFPVBQESA-N 1 0 217.313 -1.023 20 0 BAADRO CCS(=O)(=O)NCCC[NH2+]C(CO)CO ZINC000566423264 322994108 /nfs/dbraw/zinc/99/41/08/322994108.db2.gz COPGIJMKYDAZDB-UHFFFAOYSA-N 1 0 240.325 -1.741 20 0 BAADRO O=C(C[NH2+]C(CO)CO)NCc1ccco1 ZINC000566425494 326044518 /nfs/dbraw/zinc/04/45/18/326044518.db2.gz ZJWPHAFIYAIVGL-UHFFFAOYSA-N 1 0 228.248 -1.161 20 0 BAADRO C[C@@H](O)C(=O)N[C@H](C)C(=O)NCC[NH+](C)C ZINC000566463184 326051877 /nfs/dbraw/zinc/05/18/77/326051877.db2.gz WGYYFMNBPMEPPA-HTQZYQBOSA-N 1 0 231.296 -1.450 20 0 BAADRO C[C@@H](O)C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000566463185 326051445 /nfs/dbraw/zinc/05/14/45/326051445.db2.gz WGYYFMNBPMEPPA-JGVFFNPUSA-N 1 0 231.296 -1.450 20 0 BAADRO C[NH2+][C@@H](C)C(=O)N1CCN(CCOC)C(=O)C1 ZINC000566469109 326051986 /nfs/dbraw/zinc/05/19/86/326051986.db2.gz ATLTZTIVTQIBFC-VIFPVBQESA-N 1 0 243.307 -1.089 20 0 BAADRO CCNC(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000566495932 326058062 /nfs/dbraw/zinc/05/80/62/326058062.db2.gz MGAABKMJQFWBMV-BDAKNGLRSA-N 1 0 240.307 -1.634 20 0 BAADRO CCNC(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000566495933 326057988 /nfs/dbraw/zinc/05/79/88/326057988.db2.gz MGAABKMJQFWBMV-DTWKUNHWSA-N 1 0 240.307 -1.634 20 0 BAADRO CCNC(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566495934 326057930 /nfs/dbraw/zinc/05/79/30/326057930.db2.gz MGAABKMJQFWBMV-IUCAKERBSA-N 1 0 240.307 -1.634 20 0 BAADRO CCNC(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000566495935 326057873 /nfs/dbraw/zinc/05/78/73/326057873.db2.gz MGAABKMJQFWBMV-RKDXNWHRSA-N 1 0 240.307 -1.634 20 0 BAADRO CO[C@H](C)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000566496056 323002928 /nfs/dbraw/zinc/00/29/28/323002928.db2.gz OGDQTGPRDOFTEZ-HLTSFMKQSA-N 1 0 241.291 -1.208 20 0 BAADRO CO[C@H](C)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000566496057 323002918 /nfs/dbraw/zinc/00/29/18/323002918.db2.gz OGDQTGPRDOFTEZ-HRDYMLBCSA-N 1 0 241.291 -1.208 20 0 BAADRO CO[C@H](C)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000566496058 323002902 /nfs/dbraw/zinc/00/29/02/323002902.db2.gz OGDQTGPRDOFTEZ-IWSPIJDZSA-N 1 0 241.291 -1.208 20 0 BAADRO CO[C@H](C)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566496059 323002923 /nfs/dbraw/zinc/00/29/23/323002923.db2.gz OGDQTGPRDOFTEZ-VGMNWLOBSA-N 1 0 241.291 -1.208 20 0 BAADRO C[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)CC(=O)N1 ZINC000566508868 326060583 /nfs/dbraw/zinc/06/05/83/326060583.db2.gz NFLOOTSJXVETOB-SFYZADRCSA-N 1 0 226.280 -1.122 20 0 BAADRO C[C@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)CC(=O)N1 ZINC000566508869 326060796 /nfs/dbraw/zinc/06/07/96/326060796.db2.gz NFLOOTSJXVETOB-YUMQZZPRSA-N 1 0 226.280 -1.122 20 0 BAADRO COCCCN(C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000566512560 326061598 /nfs/dbraw/zinc/06/15/98/326061598.db2.gz MNFKBJJYNRONOS-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO C[C@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CO1 ZINC000566513060 326061365 /nfs/dbraw/zinc/06/13/65/326061365.db2.gz SJFMGWAURLNCGN-CIUDSAMLSA-N 1 0 241.291 -1.242 20 0 BAADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CO1 ZINC000566513062 326061405 /nfs/dbraw/zinc/06/14/05/326061405.db2.gz SJFMGWAURLNCGN-HRDYMLBCSA-N 1 0 241.291 -1.242 20 0 BAADRO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CO1 ZINC000566513063 326061512 /nfs/dbraw/zinc/06/15/12/326061512.db2.gz SJFMGWAURLNCGN-VGMNWLOBSA-N 1 0 241.291 -1.242 20 0 BAADRO C[C@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CO1 ZINC000566513064 326061597 /nfs/dbraw/zinc/06/15/97/326061597.db2.gz SJFMGWAURLNCGN-XHNCKOQMSA-N 1 0 241.291 -1.242 20 0 BAADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCOCC1 ZINC000566513075 326061406 /nfs/dbraw/zinc/06/14/06/326061406.db2.gz SWSBTHKDRQUKSR-QMMMGPOBSA-N 1 0 227.264 -1.677 20 0 BAADRO CNC(=O)[C@H]1CN(C(=O)CCC[NH2+]C)CCO1 ZINC000566560132 326063721 /nfs/dbraw/zinc/06/37/21/326063721.db2.gz NUONWNZJVKCUMB-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO CNC(=O)[C@@H]1CN(C(=O)CCC[NH2+]C)CCO1 ZINC000566560140 326063850 /nfs/dbraw/zinc/06/38/50/326063850.db2.gz NUONWNZJVKCUMB-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO CC1(C)CN(S(=O)(=O)NC2C[NH2+]C2)CCO1 ZINC000566561428 326064074 /nfs/dbraw/zinc/06/40/74/326064074.db2.gz YNTPPCANMQZPHU-UHFFFAOYSA-N 1 0 249.336 -1.097 20 0 BAADRO COCC[N@H+](C)C[C@H](O)CN1CCNC(=O)C1 ZINC000566599530 326067090 /nfs/dbraw/zinc/06/70/90/326067090.db2.gz YGFDAERJADOIHS-JTQLQIEISA-N 1 0 245.323 -1.643 20 0 BAADRO COCC[N@H+](C)C[C@@H](O)CN1CCNC(=O)C1 ZINC000566599531 326066978 /nfs/dbraw/zinc/06/69/78/326066978.db2.gz YGFDAERJADOIHS-SNVBAGLBSA-N 1 0 245.323 -1.643 20 0 BAADRO CCC[C@@H](O)[C@@H](CO)[NH2+]CCC(=O)NC(N)=O ZINC000566620266 326068998 /nfs/dbraw/zinc/06/89/98/326068998.db2.gz VNUWWVXKFSYCKZ-HTQZYQBOSA-N 1 0 247.295 -1.317 20 0 BAADRO CCC[C@@H](O)[C@H](CO)[NH2+]CCC(=O)NC(N)=O ZINC000566620267 326068820 /nfs/dbraw/zinc/06/88/20/326068820.db2.gz VNUWWVXKFSYCKZ-JGVFFNPUSA-N 1 0 247.295 -1.317 20 0 BAADRO CCC[C@H](O)[C@@H](CO)[NH2+]CCC(=O)NC(N)=O ZINC000566620268 326068883 /nfs/dbraw/zinc/06/88/83/326068883.db2.gz VNUWWVXKFSYCKZ-SFYZADRCSA-N 1 0 247.295 -1.317 20 0 BAADRO CCC[C@H](O)[C@H](CO)[NH2+]CCC(=O)NC(N)=O ZINC000566620269 326068723 /nfs/dbraw/zinc/06/87/23/326068723.db2.gz VNUWWVXKFSYCKZ-YUMQZZPRSA-N 1 0 247.295 -1.317 20 0 BAADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[NH3+])CO1 ZINC000566620627 326068937 /nfs/dbraw/zinc/06/89/37/326068937.db2.gz OFVOUIIPTVJISW-HTQZYQBOSA-N 1 0 229.280 -1.255 20 0 BAADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCCC[NH3+])CO1 ZINC000566620628 326068916 /nfs/dbraw/zinc/06/89/16/326068916.db2.gz OFVOUIIPTVJISW-JGVFFNPUSA-N 1 0 229.280 -1.255 20 0 BAADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCCC[NH3+])CO1 ZINC000566620629 326068985 /nfs/dbraw/zinc/06/89/85/326068985.db2.gz OFVOUIIPTVJISW-SFYZADRCSA-N 1 0 229.280 -1.255 20 0 BAADRO C[C@H]1C[C@H](NC(=O)C(=O)NCCC[NH3+])CO1 ZINC000566620630 326069009 /nfs/dbraw/zinc/06/90/09/326069009.db2.gz OFVOUIIPTVJISW-YUMQZZPRSA-N 1 0 229.280 -1.255 20 0 BAADRO C[NH+](C)CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000566647096 326071121 /nfs/dbraw/zinc/07/11/21/326071121.db2.gz JNZQRCGLZNIYEF-IUCAKERBSA-N 1 0 215.297 -1.319 20 0 BAADRO CN1CCN(C(=O)CC[NH2+]CCC(N)=O)CC1 ZINC000566674045 326072968 /nfs/dbraw/zinc/07/29/68/326072968.db2.gz OPECSYWJCZZNSV-UHFFFAOYSA-N 1 0 242.323 -1.385 20 0 BAADRO Cc1nn(C)cc1S(=O)(=O)NC1C[NH2+]C1 ZINC000566678131 323010176 /nfs/dbraw/zinc/01/01/76/323010176.db2.gz RFTRFJXRBWUSEQ-UHFFFAOYSA-N 1 0 230.293 -1.021 20 0 BAADRO C[NH+](C)[C@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@@H]1O ZINC000566706926 326075321 /nfs/dbraw/zinc/07/53/21/326075321.db2.gz PLGHAKJZMLDGBX-VGMNWLOBSA-N 1 0 241.291 -1.602 20 0 BAADRO COCC[NH2+]CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000566736810 326077332 /nfs/dbraw/zinc/07/73/32/326077332.db2.gz SWULFCBRRRQTNX-JTQLQIEISA-N 1 0 245.323 -1.283 20 0 BAADRO COCC[NH2+]CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000566736813 326077334 /nfs/dbraw/zinc/07/73/34/326077334.db2.gz SWULFCBRRRQTNX-SNVBAGLBSA-N 1 0 245.323 -1.283 20 0 BAADRO COC(=O)[C@@H](O)C[NH2+]C[C@@H](O)COC(C)C ZINC000566797958 326083858 /nfs/dbraw/zinc/08/38/58/326083858.db2.gz SGTQHLOJQSSDLF-BDAKNGLRSA-N 1 0 235.280 -1.104 20 0 BAADRO COC(=O)[C@@H](O)C[NH2+]C[C@H](O)COC(C)C ZINC000566797959 326083783 /nfs/dbraw/zinc/08/37/83/326083783.db2.gz SGTQHLOJQSSDLF-IUCAKERBSA-N 1 0 235.280 -1.104 20 0 BAADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[NH3+])C1 ZINC000566852937 326087850 /nfs/dbraw/zinc/08/78/50/326087850.db2.gz DCXPXOXCNGISNB-HTQZYQBOSA-N 1 0 249.336 -1.126 20 0 BAADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H](C)[NH3+])C1 ZINC000566852938 326087899 /nfs/dbraw/zinc/08/78/99/326087899.db2.gz DCXPXOXCNGISNB-SFYZADRCSA-N 1 0 249.336 -1.126 20 0 BAADRO O=C1C[C@@H]([NH2+]CCO)C(=O)N1c1cnccn1 ZINC000566863285 326089391 /nfs/dbraw/zinc/08/93/91/326089391.db2.gz OHAVBPIKWVYRJL-SSDOTTSWSA-N 1 0 236.231 -1.310 20 0 BAADRO O=C1C[C@H]([NH2+]CCO)C(=O)N1c1cnccn1 ZINC000566863286 326089158 /nfs/dbraw/zinc/08/91/58/326089158.db2.gz OHAVBPIKWVYRJL-ZETCQYMHSA-N 1 0 236.231 -1.310 20 0 BAADRO [NH3+][C@@H]1CCN(C(=O)CN2CCCNC2=O)C1 ZINC000566972654 326098640 /nfs/dbraw/zinc/09/86/40/326098640.db2.gz PAANJBMJXXLRQX-MRVPVSSYSA-N 1 0 226.280 -1.039 20 0 BAADRO COC(=O)[C@H]1CN(C(=O)C2(C)C[NH2+]C2)CCO1 ZINC000567119332 326118943 /nfs/dbraw/zinc/11/89/43/326118943.db2.gz GGYXVOSXUKNHDW-MRVPVSSYSA-N 1 0 242.275 -1.004 20 0 BAADRO COC(=O)[C@@H]1CN(C(=O)C2(C)C[NH2+]C2)CCO1 ZINC000567119333 326118945 /nfs/dbraw/zinc/11/89/45/326118945.db2.gz GGYXVOSXUKNHDW-QMMMGPOBSA-N 1 0 242.275 -1.004 20 0 BAADRO C[C@@H]1CN(C(=O)CN2CN=NC2=O)CC[NH2+]1 ZINC000567164687 326127182 /nfs/dbraw/zinc/12/71/82/326127182.db2.gz UONPFXCOMMTTAQ-SSDOTTSWSA-N 1 0 225.252 -1.196 20 0 BAADRO CN(C)C(=O)[C@@H]1CC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000567176077 326130071 /nfs/dbraw/zinc/13/00/71/326130071.db2.gz BMZQSXCKPHWMLM-HTQZYQBOSA-N 1 0 239.275 -1.188 20 0 BAADRO CN(C)C(=O)[C@H]1CC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000567176078 326130186 /nfs/dbraw/zinc/13/01/86/326130186.db2.gz BMZQSXCKPHWMLM-JGVFFNPUSA-N 1 0 239.275 -1.188 20 0 BAADRO CN(C)C(=O)[C@@H]1CC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000567176079 326130099 /nfs/dbraw/zinc/13/00/99/326130099.db2.gz BMZQSXCKPHWMLM-SFYZADRCSA-N 1 0 239.275 -1.188 20 0 BAADRO CN(C)C(=O)[C@H]1CC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000567176080 326129581 /nfs/dbraw/zinc/12/95/81/326129581.db2.gz BMZQSXCKPHWMLM-YUMQZZPRSA-N 1 0 239.275 -1.188 20 0 BAADRO COCC(=O)N(C)CC(=O)NC(C)(C)C[NH3+] ZINC000567227091 326146361 /nfs/dbraw/zinc/14/63/61/326146361.db2.gz HABIBQCFQVVUJT-UHFFFAOYSA-N 1 0 231.296 -1.055 20 0 BAADRO CSC[C@H](O)C[NH2+]CCNS(C)(=O)=O ZINC000567227519 326146236 /nfs/dbraw/zinc/14/62/36/326146236.db2.gz KRANYMZOTINYHH-SSDOTTSWSA-N 1 0 242.366 -1.151 20 0 BAADRO CSC[C@@H](O)C[NH2+]CCNS(C)(=O)=O ZINC000567227520 326146339 /nfs/dbraw/zinc/14/63/39/326146339.db2.gz KRANYMZOTINYHH-ZETCQYMHSA-N 1 0 242.366 -1.151 20 0 BAADRO C[NH+](C)[C@H]1CN(C(=O)C(C)(C)O)C[C@@H]1O ZINC000567247990 326150077 /nfs/dbraw/zinc/15/00/77/326150077.db2.gz YCGBJWJLCKZIKP-YUMQZZPRSA-N 1 0 216.281 -1.109 20 0 BAADRO C[C@@H]1C[NH2+]CCN1C(=O)CN1CN=NC1=O ZINC000567267557 326153517 /nfs/dbraw/zinc/15/35/17/326153517.db2.gz BHHMLLILQFEXRI-SSDOTTSWSA-N 1 0 225.252 -1.196 20 0 BAADRO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)C(=O)NC(N)=O ZINC000567350039 388112808 /nfs/dbraw/zinc/11/28/08/388112808.db2.gz PAIOZUKKKSRCHD-FSDSQADBSA-N 1 0 231.252 -1.427 20 0 BAADRO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)C(=O)NC(N)=O ZINC000567350040 388113431 /nfs/dbraw/zinc/11/34/31/388113431.db2.gz PAIOZUKKKSRCHD-RRKCRQDMSA-N 1 0 231.252 -1.427 20 0 BAADRO C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CO[C@H](C)C1 ZINC000567352480 326172012 /nfs/dbraw/zinc/17/20/12/326172012.db2.gz AQTSPPUXADRUIF-BDAKNGLRSA-N 1 0 243.307 -1.042 20 0 BAADRO C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1CO[C@@H](C)C1 ZINC000567352481 326172004 /nfs/dbraw/zinc/17/20/04/326172004.db2.gz AQTSPPUXADRUIF-DTWKUNHWSA-N 1 0 243.307 -1.042 20 0 BAADRO C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CO[C@@H](C)C1 ZINC000567352482 326171947 /nfs/dbraw/zinc/17/19/47/326171947.db2.gz AQTSPPUXADRUIF-IUCAKERBSA-N 1 0 243.307 -1.042 20 0 BAADRO C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1CO[C@H](C)C1 ZINC000567352483 326172118 /nfs/dbraw/zinc/17/21/18/326172118.db2.gz AQTSPPUXADRUIF-RKDXNWHRSA-N 1 0 243.307 -1.042 20 0 BAADRO NC(=O)CC[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000567379633 326178893 /nfs/dbraw/zinc/17/88/93/326178893.db2.gz YISXSANRRJAFKA-UHFFFAOYSA-N 1 0 225.252 -1.396 20 0 BAADRO CC[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC000567383636 326180677 /nfs/dbraw/zinc/18/06/77/326180677.db2.gz OZDGAOJJEPLSTJ-UHFFFAOYSA-N 1 0 227.268 -1.693 20 0 BAADRO Cn1ccc(S(=O)(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)n1 ZINC000567384590 326181300 /nfs/dbraw/zinc/18/13/00/326181300.db2.gz KLSSYUREROPVBV-QMSLJYSESA-N 1 0 242.304 -1.084 20 0 BAADRO COCCOCCS(=O)(=O)N[C@H](C)C[NH3+] ZINC000567384821 326181297 /nfs/dbraw/zinc/18/12/97/326181297.db2.gz STWRESZGXOAVKO-MRVPVSSYSA-N 1 0 240.325 -1.084 20 0 BAADRO C[C@H](C[NH2+][C@H](CO)CN(C)C)S(C)(=O)=O ZINC000567385839 326181271 /nfs/dbraw/zinc/18/12/71/326181271.db2.gz SPUXTHLATWQWOP-BDAKNGLRSA-N 1 0 238.353 -1.068 20 0 BAADRO C[C@@H](C[NH2+][C@@H](CO)CN(C)C)S(C)(=O)=O ZINC000567385840 326181210 /nfs/dbraw/zinc/18/12/10/326181210.db2.gz SPUXTHLATWQWOP-DTWKUNHWSA-N 1 0 238.353 -1.068 20 0 BAADRO C[C@@H](C[NH2+][C@H](CO)CN(C)C)S(C)(=O)=O ZINC000567385841 326181138 /nfs/dbraw/zinc/18/11/38/326181138.db2.gz SPUXTHLATWQWOP-IUCAKERBSA-N 1 0 238.353 -1.068 20 0 BAADRO C[C@H](C[NH2+][C@@H](CO)CN(C)C)S(C)(=O)=O ZINC000567385842 326181249 /nfs/dbraw/zinc/18/12/49/326181249.db2.gz SPUXTHLATWQWOP-RKDXNWHRSA-N 1 0 238.353 -1.068 20 0 BAADRO C[C@@H](NC(=O)COC1C[NH2+]C1)C(=O)N(C)C ZINC000567387662 326181950 /nfs/dbraw/zinc/18/19/50/326181950.db2.gz AUBKAJKZYDWCFF-SSDOTTSWSA-N 1 0 229.280 -1.432 20 0 BAADRO Cn1nnc(CNc2cc[nH+]cc2C(N)=O)n1 ZINC000567441423 326192272 /nfs/dbraw/zinc/19/22/72/326192272.db2.gz HRBSDJVVELPJLC-UHFFFAOYSA-N 1 0 233.235 -1.262 20 0 BAADRO CO[C@H](CNC(=O)C(=O)NC1C[NH2+]C1)C(C)C ZINC000567455447 326193293 /nfs/dbraw/zinc/19/32/93/326193293.db2.gz PZAQHLZFNHPOQB-SECBINFHSA-N 1 0 243.307 -1.138 20 0 BAADRO CO[C@@H](CNC(=O)C(=O)NC1C[NH2+]C1)C(C)C ZINC000567455448 326193224 /nfs/dbraw/zinc/19/32/24/326193224.db2.gz PZAQHLZFNHPOQB-VIFPVBQESA-N 1 0 243.307 -1.138 20 0 BAADRO CS(=O)(=O)NCCC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000567469601 326197523 /nfs/dbraw/zinc/19/75/23/326197523.db2.gz OJQOGRSWZSXBAJ-MRVPVSSYSA-N 1 0 249.336 -1.206 20 0 BAADRO CN(CC[NH3+])C(=O)CN(C)S(C)(=O)=O ZINC000567470156 326199203 /nfs/dbraw/zinc/19/92/03/326199203.db2.gz RIAAJENPMNQTGI-UHFFFAOYSA-N 1 0 223.298 -1.705 20 0 BAADRO C[C@@H]1COCCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000567480613 326201407 /nfs/dbraw/zinc/20/14/07/326201407.db2.gz CWPYSPFXKUTURM-SSDOTTSWSA-N 1 0 227.264 -1.678 20 0 BAADRO CC[NH2+]CCNC(=O)CN(C)C(=O)COC ZINC000567500862 324898504 /nfs/dbraw/zinc/89/85/04/324898504.db2.gz RTRCHIFWXLILHN-UHFFFAOYSA-N 1 0 231.296 -1.183 20 0 BAADRO CC[NH2+]CCNC(=O)CN1CN=NC1=O ZINC000567500889 326203872 /nfs/dbraw/zinc/20/38/72/326203872.db2.gz SRMKXDGDCSCMJN-UHFFFAOYSA-N 1 0 213.241 -1.291 20 0 BAADRO CCS(=O)(=O)N(C)CC(=O)N(C)CC[NH3+] ZINC000567501290 326205628 /nfs/dbraw/zinc/20/56/28/326205628.db2.gz LFHHOOFJXABJAS-UHFFFAOYSA-N 1 0 237.325 -1.315 20 0 BAADRO C[C@@H](C[NH+](C)C)NC(=O)C1(S(N)(=O)=O)CC1 ZINC000567508284 326206930 /nfs/dbraw/zinc/20/69/30/326206930.db2.gz GCNPNBXRVOCOEU-ZETCQYMHSA-N 1 0 249.336 -1.126 20 0 BAADRO CN(C(=O)CN1CN=NC1=O)C1CC([NH3+])C1 ZINC000567587332 326223530 /nfs/dbraw/zinc/22/35/30/326223530.db2.gz CDQKBNFXJLZGEK-UHFFFAOYSA-N 1 0 225.252 -1.068 20 0 BAADRO C[C@H]([NH3+])[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC000567612454 326229002 /nfs/dbraw/zinc/22/90/02/326229002.db2.gz PUOODPVJDUJTRU-BQBZGAKWSA-N 1 0 237.325 -1.270 20 0 BAADRO C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](C)[NH3+] ZINC000567612455 326228971 /nfs/dbraw/zinc/22/89/71/326228971.db2.gz PUOODPVJDUJTRU-NKWVEPMBSA-N 1 0 237.325 -1.270 20 0 BAADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC000567612456 326228949 /nfs/dbraw/zinc/22/89/49/326228949.db2.gz PUOODPVJDUJTRU-RNFRBKRXSA-N 1 0 237.325 -1.270 20 0 BAADRO C[C@@H]([NH3+])[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC000567612457 326228982 /nfs/dbraw/zinc/22/89/82/326228982.db2.gz PUOODPVJDUJTRU-RQJHMYQMSA-N 1 0 237.325 -1.270 20 0 BAADRO C[NH2+]CCNC(=O)CCS(=O)(=O)N(C)C ZINC000567613883 326229433 /nfs/dbraw/zinc/22/94/33/326229433.db2.gz SJVKUXVFAOVLOA-UHFFFAOYSA-N 1 0 237.325 -1.397 20 0 BAADRO COC(=O)C[C@H](C)NC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000567746985 326254622 /nfs/dbraw/zinc/25/46/22/326254622.db2.gz QBCHXRKWZSKTOC-BQBZGAKWSA-N 1 0 246.263 -1.055 20 0 BAADRO COC(=O)C[C@@H](C)NC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000567746986 326254554 /nfs/dbraw/zinc/25/45/54/326254554.db2.gz QBCHXRKWZSKTOC-RQJHMYQMSA-N 1 0 246.263 -1.055 20 0 BAADRO CN1CCO[C@@H](CNC(=O)COC2C[NH2+]C2)C1 ZINC000567784917 389037029 /nfs/dbraw/zinc/03/70/29/389037029.db2.gz FIOGEQVYMSCZEQ-JTQLQIEISA-N 1 0 243.307 -1.578 20 0 BAADRO CN1CCO[C@H](CNC(=O)COC2C[NH2+]C2)C1 ZINC000567784918 389037279 /nfs/dbraw/zinc/03/72/79/389037279.db2.gz FIOGEQVYMSCZEQ-SNVBAGLBSA-N 1 0 243.307 -1.578 20 0 BAADRO COC[C@H](NC(=O)[C@@H](C)C[NH3+])C(=O)OC ZINC000567815000 326261882 /nfs/dbraw/zinc/26/18/82/326261882.db2.gz QDNJXMLRLYBFMP-BQBZGAKWSA-N 1 0 218.253 -1.115 20 0 BAADRO COC[C@@H](NC(=O)[C@@H](C)C[NH3+])C(=O)OC ZINC000567815001 326261938 /nfs/dbraw/zinc/26/19/38/326261938.db2.gz QDNJXMLRLYBFMP-NKWVEPMBSA-N 1 0 218.253 -1.115 20 0 BAADRO COC[C@@H](NC(=O)[C@H](C)C[NH3+])C(=O)OC ZINC000567815002 326262076 /nfs/dbraw/zinc/26/20/76/326262076.db2.gz QDNJXMLRLYBFMP-RNFRBKRXSA-N 1 0 218.253 -1.115 20 0 BAADRO COC[C@H](NC(=O)[C@H](C)C[NH3+])C(=O)OC ZINC000567815003 326261979 /nfs/dbraw/zinc/26/19/79/326261979.db2.gz QDNJXMLRLYBFMP-RQJHMYQMSA-N 1 0 218.253 -1.115 20 0 BAADRO Cn1[nH]cnc1=NC(=O)CN1CCNCC1=O ZINC000567819464 326263138 /nfs/dbraw/zinc/26/31/38/326263138.db2.gz MMARPOQUGVHIGI-UHFFFAOYSA-N 1 0 238.251 -2.393 20 0 BAADRO CO[C@@H]1COC[C@H]1NC(=O)NCC[NH3+] ZINC000567820541 326263202 /nfs/dbraw/zinc/26/32/02/326263202.db2.gz MDWUEAICHDUXOU-RNFRBKRXSA-N 1 0 203.242 -1.342 20 0 BAADRO C[NH2+]CCNC(=O)N[C@@H]1COC[C@H]1OC ZINC000567820720 326263217 /nfs/dbraw/zinc/26/32/17/326263217.db2.gz OCUNUBGLNUWUQV-HTQZYQBOSA-N 1 0 217.269 -1.081 20 0 BAADRO O=C(C[C@H]1CSCC[NH2+]1)NC1=NCC(=O)N1 ZINC000567823774 326263874 /nfs/dbraw/zinc/26/38/74/326263874.db2.gz NTUGAQXYWPGUMP-LURJTMIESA-N 1 0 242.304 -1.317 20 0 BAADRO O=C(C[C@@H]1CSCC[NH2+]1)NC1=NCC(=O)N1 ZINC000567823775 326264013 /nfs/dbraw/zinc/26/40/13/326264013.db2.gz NTUGAQXYWPGUMP-ZCFIWIBFSA-N 1 0 242.304 -1.317 20 0 BAADRO C[C@H](NC(=O)COC1C[NH2+]C1)C(=O)N(C)C ZINC000567824705 326264634 /nfs/dbraw/zinc/26/46/34/326264634.db2.gz AUBKAJKZYDWCFF-ZETCQYMHSA-N 1 0 229.280 -1.432 20 0 BAADRO CN(C)S(=O)(=O)CC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000567829456 326265326 /nfs/dbraw/zinc/26/53/26/326265326.db2.gz NWBVXBCLWOBMHT-MRVPVSSYSA-N 1 0 249.336 -1.302 20 0 BAADRO CN(C)S(=O)(=O)CC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000567829457 326265455 /nfs/dbraw/zinc/26/54/55/326265455.db2.gz NWBVXBCLWOBMHT-QMMMGPOBSA-N 1 0 249.336 -1.302 20 0 BAADRO COCC(=O)N(C)CC(=O)N1CC[C@H]([NH3+])C1 ZINC000567830080 326265307 /nfs/dbraw/zinc/26/53/07/326265307.db2.gz MVHQGVTVURJRLV-QMMMGPOBSA-N 1 0 229.280 -1.349 20 0 BAADRO C[NH2+]CCCNC(=O)Cn1ncn(C)c1=O ZINC000567834423 326266258 /nfs/dbraw/zinc/26/62/58/326266258.db2.gz ZOKPCQCRYRNLGV-UHFFFAOYSA-N 1 0 227.268 -1.693 20 0 BAADRO COCC(=O)N(C)CC(=O)N[C@H](C)CC[NH3+] ZINC000567838805 326267935 /nfs/dbraw/zinc/26/79/35/326267935.db2.gz JRNKNOQPDYBOFX-MRVPVSSYSA-N 1 0 231.296 -1.055 20 0 BAADRO COCC(=O)N(C)CC(=O)N[C@@H](C)CC[NH3+] ZINC000567838806 326267832 /nfs/dbraw/zinc/26/78/32/326267832.db2.gz JRNKNOQPDYBOFX-QMMMGPOBSA-N 1 0 231.296 -1.055 20 0 BAADRO COCC[NH2+]CCNC(=O)CNC(=O)C1CC1 ZINC000567838839 323091481 /nfs/dbraw/zinc/09/14/81/323091481.db2.gz TXGLYSYEMDDMAL-UHFFFAOYSA-N 1 0 243.307 -1.135 20 0 BAADRO CN(CC[NH3+])C(=O)CN1CCCS1(=O)=O ZINC000567844954 326268737 /nfs/dbraw/zinc/26/87/37/326268737.db2.gz FQCDYNVYNGZTHZ-UHFFFAOYSA-N 1 0 235.309 -1.561 20 0 BAADRO CN(C(=O)CN1CC(=O)NC1=O)C1CC([NH3+])C1 ZINC000567846084 326268844 /nfs/dbraw/zinc/26/88/44/326268844.db2.gz UZVSLHVDDWBBAX-UHFFFAOYSA-N 1 0 240.263 -1.514 20 0 BAADRO C[C@H]([NH3+])[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC000567848674 326269706 /nfs/dbraw/zinc/26/97/06/326269706.db2.gz ZYFDGCXYXBXWMM-BQBZGAKWSA-N 1 0 227.268 -1.566 20 0 BAADRO C[C@@H](NC(=O)Cn1ncn(C)c1=O)[C@H](C)[NH3+] ZINC000567848675 326269890 /nfs/dbraw/zinc/26/98/90/326269890.db2.gz ZYFDGCXYXBXWMM-NKWVEPMBSA-N 1 0 227.268 -1.566 20 0 BAADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC000567848676 326269727 /nfs/dbraw/zinc/26/97/27/326269727.db2.gz ZYFDGCXYXBXWMM-RNFRBKRXSA-N 1 0 227.268 -1.566 20 0 BAADRO C[C@@H]([NH3+])[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC000567848677 326269740 /nfs/dbraw/zinc/26/97/40/326269740.db2.gz ZYFDGCXYXBXWMM-RQJHMYQMSA-N 1 0 227.268 -1.566 20 0 BAADRO COCC(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000567849168 326269686 /nfs/dbraw/zinc/26/96/86/326269686.db2.gz NKBCINDCRQPVIW-VROVMSAKSA-N 1 0 241.291 -1.575 20 0 BAADRO CCOC(=O)C[C@H](CO)[NH2+]C[C@H](O)COC ZINC000567875528 326275289 /nfs/dbraw/zinc/27/52/89/326275289.db2.gz GKWKXUVWWPOXHM-BDAKNGLRSA-N 1 0 235.280 -1.103 20 0 BAADRO CCOC(=O)C[C@@H](CO)[NH2+]C[C@H](O)COC ZINC000567875529 326275310 /nfs/dbraw/zinc/27/53/10/326275310.db2.gz GKWKXUVWWPOXHM-IUCAKERBSA-N 1 0 235.280 -1.103 20 0 BAADRO C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CO[C@H](C)C1 ZINC000567880316 326275699 /nfs/dbraw/zinc/27/56/99/326275699.db2.gz GFUFGEAZORJQFO-BWZBUEFSSA-N 1 0 229.280 -1.257 20 0 BAADRO C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CO[C@@H](C)C1 ZINC000567880317 326275642 /nfs/dbraw/zinc/27/56/42/326275642.db2.gz GFUFGEAZORJQFO-CSMHCCOUSA-N 1 0 229.280 -1.257 20 0 BAADRO C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CO[C@@H](C)C1 ZINC000567880318 326275663 /nfs/dbraw/zinc/27/56/63/326275663.db2.gz GFUFGEAZORJQFO-GJMOJQLCSA-N 1 0 229.280 -1.257 20 0 BAADRO C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CO[C@H](C)C1 ZINC000567880319 326275876 /nfs/dbraw/zinc/27/58/76/326275876.db2.gz GFUFGEAZORJQFO-PRJMDXOYSA-N 1 0 229.280 -1.257 20 0 BAADRO [NH3+]CCNC(=O)C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000567881136 326275713 /nfs/dbraw/zinc/27/57/13/326275713.db2.gz TXTMVWBYPURVGE-BDAKNGLRSA-N 1 0 241.291 -1.301 20 0 BAADRO CCCCS(=O)(=O)NCC(=O)NCC[NH3+] ZINC000567884579 326276234 /nfs/dbraw/zinc/27/62/34/326276234.db2.gz CJKXQQWGEFBXMI-UHFFFAOYSA-N 1 0 237.325 -1.219 20 0 BAADRO C[C@@H]1CN(CCN(CC[NH3+])CCO)CCO1 ZINC000567890121 326277029 /nfs/dbraw/zinc/27/70/29/326277029.db2.gz OMRXGUWOWQRQBD-LLVKDONJSA-N 1 0 231.340 -1.040 20 0 BAADRO C[C@H]1CN(CCN(CC[NH3+])CCO)CCO1 ZINC000567890122 326277115 /nfs/dbraw/zinc/27/71/15/326277115.db2.gz OMRXGUWOWQRQBD-NSHDSACASA-N 1 0 231.340 -1.040 20 0 BAADRO COC(=O)[C@H]1COCCN1CCOCC[NH3+] ZINC000567895745 326278429 /nfs/dbraw/zinc/27/84/29/326278429.db2.gz VYHYPLYBVXQMNK-SECBINFHSA-N 1 0 232.280 -1.165 20 0 BAADRO COC(=O)[C@@H]1COCCN1CCOCC[NH3+] ZINC000567895746 326278516 /nfs/dbraw/zinc/27/85/16/326278516.db2.gz VYHYPLYBVXQMNK-VIFPVBQESA-N 1 0 232.280 -1.165 20 0 BAADRO C[C@H]1CN(C(=O)CN2CN=NC2=O)C[C@@H]1[NH3+] ZINC000567897653 326278863 /nfs/dbraw/zinc/27/88/63/326278863.db2.gz LEDXDSDFAMLKKB-BQBZGAKWSA-N 1 0 225.252 -1.211 20 0 BAADRO C[C@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1[NH3+] ZINC000567897654 326278721 /nfs/dbraw/zinc/27/87/21/326278721.db2.gz LEDXDSDFAMLKKB-NKWVEPMBSA-N 1 0 225.252 -1.211 20 0 BAADRO C[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1[NH3+] ZINC000567897655 326278876 /nfs/dbraw/zinc/27/88/76/326278876.db2.gz LEDXDSDFAMLKKB-RNFRBKRXSA-N 1 0 225.252 -1.211 20 0 BAADRO C[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@@H]1[NH3+] ZINC000567897656 326278795 /nfs/dbraw/zinc/27/87/95/326278795.db2.gz LEDXDSDFAMLKKB-RQJHMYQMSA-N 1 0 225.252 -1.211 20 0 BAADRO CN(C)C(=O)C(C)(C)NC(=O)COC1C[NH2+]C1 ZINC000567904469 326280669 /nfs/dbraw/zinc/28/06/69/326280669.db2.gz ROGGQPSECVZRRK-UHFFFAOYSA-N 1 0 243.307 -1.042 20 0 BAADRO COCC[NH2+]CCNC(=O)C1(C(N)=O)CCC1 ZINC000567907143 323100165 /nfs/dbraw/zinc/10/01/65/323100165.db2.gz DNWNFHAMKYETOQ-UHFFFAOYSA-N 1 0 243.307 -1.006 20 0 BAADRO COCC[NH2+]CCNC(=O)C(=O)NCC1CC1 ZINC000567908151 326281445 /nfs/dbraw/zinc/28/14/45/326281445.db2.gz YRMZTXOARSOKGR-UHFFFAOYSA-N 1 0 243.307 -1.135 20 0 BAADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)C[NH3+] ZINC000567908817 326281311 /nfs/dbraw/zinc/28/13/11/326281311.db2.gz MRVZUMBNDIIUDN-HTQZYQBOSA-N 1 0 249.336 -1.078 20 0 BAADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)C[NH3+] ZINC000567908818 326281355 /nfs/dbraw/zinc/28/13/55/326281355.db2.gz MRVZUMBNDIIUDN-JGVFFNPUSA-N 1 0 249.336 -1.078 20 0 BAADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1NC(=O)C[NH3+] ZINC000567908819 326281505 /nfs/dbraw/zinc/28/15/05/326281505.db2.gz MRVZUMBNDIIUDN-SFYZADRCSA-N 1 0 249.336 -1.078 20 0 BAADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1NC(=O)C[NH3+] ZINC000567908820 326281268 /nfs/dbraw/zinc/28/12/68/326281268.db2.gz MRVZUMBNDIIUDN-YUMQZZPRSA-N 1 0 249.336 -1.078 20 0 BAADRO [NH3+][C@H]1C[C@@H](C(=O)NCCn2ncnn2)C1 ZINC000567909557 326281580 /nfs/dbraw/zinc/28/15/80/326281580.db2.gz GOFURNVJNZYEEG-KNVOCYPGSA-N 1 0 210.241 -1.473 20 0 BAADRO COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)[C@H](C)[NH3+] ZINC000567909726 326281292 /nfs/dbraw/zinc/28/12/92/326281292.db2.gz QLRAAWDCCFUEPR-BIIVOSGPSA-N 1 0 230.264 -1.142 20 0 BAADRO COC(=O)[C@H]1[C@H](O)CCCN1C(=O)[C@H](C)[NH3+] ZINC000567909727 326281272 /nfs/dbraw/zinc/28/12/72/326281272.db2.gz QLRAAWDCCFUEPR-XLPZGREQSA-N 1 0 230.264 -1.142 20 0 BAADRO COCCN(CC(=O)OC)C(=O)C[NH3+] ZINC000567910190 323100494 /nfs/dbraw/zinc/10/04/94/323100494.db2.gz DHXXUGIVDQZLBI-UHFFFAOYSA-N 1 0 204.226 -1.407 20 0 BAADRO CCN1C[C@H](NC(=O)COC2C[NH2+]C2)CC1=O ZINC000567922621 326283702 /nfs/dbraw/zinc/28/37/02/326283702.db2.gz JYCNOMIXEIBIAA-MRVPVSSYSA-N 1 0 241.291 -1.288 20 0 BAADRO C[NH2+]C[C@@](C)(O)CN1CCNC(=O)C1 ZINC000568051464 326300613 /nfs/dbraw/zinc/30/06/13/326300613.db2.gz NAFUENJNEWKHRZ-SECBINFHSA-N 1 0 201.270 -1.611 20 0 BAADRO C[NH2+]C[C@](C)(O)CN1CCNC(=O)C1 ZINC000568051465 326300699 /nfs/dbraw/zinc/30/06/99/326300699.db2.gz NAFUENJNEWKHRZ-VIFPVBQESA-N 1 0 201.270 -1.611 20 0 BAADRO COC(=O)[C@H]1CN(C(=O)[C@@H](C[NH3+])OC)CCO1 ZINC000568150751 326313276 /nfs/dbraw/zinc/31/32/76/326313276.db2.gz UWPCIPGWTUIVBP-HTQZYQBOSA-N 1 0 246.263 -1.640 20 0 BAADRO COC(=O)[C@H]1CN(C(=O)[C@H](C[NH3+])OC)CCO1 ZINC000568150752 326313467 /nfs/dbraw/zinc/31/34/67/326313467.db2.gz UWPCIPGWTUIVBP-JGVFFNPUSA-N 1 0 246.263 -1.640 20 0 BAADRO COC(=O)[C@@H]1CN(C(=O)[C@@H](C[NH3+])OC)CCO1 ZINC000568150753 326313430 /nfs/dbraw/zinc/31/34/30/326313430.db2.gz UWPCIPGWTUIVBP-SFYZADRCSA-N 1 0 246.263 -1.640 20 0 BAADRO COC(=O)[C@@H]1CN(C(=O)[C@H](C[NH3+])OC)CCO1 ZINC000568150754 326313235 /nfs/dbraw/zinc/31/32/35/326313235.db2.gz UWPCIPGWTUIVBP-YUMQZZPRSA-N 1 0 246.263 -1.640 20 0 BAADRO CC(C)(CC(N)=O)NC(=O)COC1C[NH2+]C1 ZINC000568150820 326312465 /nfs/dbraw/zinc/31/24/65/326312465.db2.gz WPWRRNQJIYVISV-UHFFFAOYSA-N 1 0 229.280 -1.255 20 0 BAADRO COCCN1C(=O)C[C@@H]([NH2+]CCO)C1=O ZINC000568161724 326316519 /nfs/dbraw/zinc/31/65/19/326316519.db2.gz HOGCUSGZPWKEFZ-SSDOTTSWSA-N 1 0 216.237 -1.658 20 0 BAADRO COCCN1C(=O)C[C@H]([NH2+]CCO)C1=O ZINC000568161725 326316493 /nfs/dbraw/zinc/31/64/93/326316493.db2.gz HOGCUSGZPWKEFZ-ZETCQYMHSA-N 1 0 216.237 -1.658 20 0 BAADRO CC(C)CNC(=O)NC(=O)C[NH2+]C(CO)CO ZINC000568174801 326320009 /nfs/dbraw/zinc/32/00/09/326320009.db2.gz IFBJZCKRZDLFDC-UHFFFAOYSA-N 1 0 247.295 -1.589 20 0 BAADRO O=C(C[NH2+]C(CO)CO)NC[C@H]1CCCO1 ZINC000568174997 326320019 /nfs/dbraw/zinc/32/00/19/326320019.db2.gz NYGISRJZFFBLKR-SECBINFHSA-N 1 0 232.280 -1.776 20 0 BAADRO O=C(C[NH2+]C(CO)CO)NC[C@@H]1CCCO1 ZINC000568174998 326320102 /nfs/dbraw/zinc/32/01/02/326320102.db2.gz NYGISRJZFFBLKR-VIFPVBQESA-N 1 0 232.280 -1.776 20 0 BAADRO OCC(CO)[NH2+]CCCN1CCOCC1 ZINC000568175126 326320125 /nfs/dbraw/zinc/32/01/25/326320125.db2.gz SPIHVKUBZKBGTP-UHFFFAOYSA-N 1 0 218.297 -1.349 20 0 BAADRO O=C(C[NH2+]C(CO)CO)Nc1ccncc1 ZINC000568175199 326320199 /nfs/dbraw/zinc/32/01/99/326320199.db2.gz VNQUIVHRMZFOKQ-UHFFFAOYSA-N 1 0 225.248 -1.615 20 0 BAADRO CCS(=O)(=O)NCC[NH2+]C(CO)CO ZINC000568175821 326320079 /nfs/dbraw/zinc/32/00/79/326320079.db2.gz JGDLTTKSDDTPHK-UHFFFAOYSA-N 1 0 226.298 -2.132 20 0 BAADRO C[NH+](C)[C@H]1CN(C(=O)C2(CO)COC2)C[C@@H]1O ZINC000568210191 326326803 /nfs/dbraw/zinc/32/68/03/326326803.db2.gz RFDPHEHILHWYAS-IUCAKERBSA-N 1 0 244.291 -1.871 20 0 BAADRO O=C(CO)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000568211804 326326616 /nfs/dbraw/zinc/32/66/16/326326616.db2.gz KBDBUZXZTHOKTQ-JTQLQIEISA-N 1 0 214.265 -1.448 20 0 BAADRO O=C(CO)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000568211805 326326575 /nfs/dbraw/zinc/32/65/75/326326575.db2.gz KBDBUZXZTHOKTQ-SNVBAGLBSA-N 1 0 214.265 -1.448 20 0 BAADRO C[NH2+][C@@H](C)C(=O)N(C)CC(=O)N1CCOCC1 ZINC000568235144 326331467 /nfs/dbraw/zinc/33/14/67/326331467.db2.gz JXLWMNCUNQWXCT-VIFPVBQESA-N 1 0 243.307 -1.089 20 0 BAADRO O=C([C@H]1CCCS1(=O)=O)N1CC[NH2+]CC1 ZINC000568236798 326331832 /nfs/dbraw/zinc/33/18/32/326331832.db2.gz VDDQMTUEHCSJJY-MRVPVSSYSA-N 1 0 232.305 -1.005 20 0 BAADRO O=C([C@@H]1CCCS1(=O)=O)N1CC[NH2+]CC1 ZINC000568236799 326332040 /nfs/dbraw/zinc/33/20/40/326332040.db2.gz VDDQMTUEHCSJJY-QMMMGPOBSA-N 1 0 232.305 -1.005 20 0 BAADRO CCC[NH2+][C@H](C)C(=O)NCCOCC(N)=O ZINC000568271036 326338496 /nfs/dbraw/zinc/33/84/96/326338496.db2.gz SVDKRUNZNWRVMG-MRVPVSSYSA-N 1 0 231.296 -1.007 20 0 BAADRO CCC[NH2+][C@@H](C)C(=O)NCCOCC(N)=O ZINC000568271037 326338421 /nfs/dbraw/zinc/33/84/21/326338421.db2.gz SVDKRUNZNWRVMG-QMMMGPOBSA-N 1 0 231.296 -1.007 20 0 BAADRO CN1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1=O ZINC000568289098 326341724 /nfs/dbraw/zinc/34/17/24/326341724.db2.gz UJGAJJWRDJIDRK-QMMMGPOBSA-N 1 0 226.280 -1.168 20 0 BAADRO O=C(N[C@H]1CC[NH2+]C1)N1CCC[C@](O)(CO)C1 ZINC000568290754 326342237 /nfs/dbraw/zinc/34/22/37/326342237.db2.gz QZMYPXOJYNDQLH-GXSJLCMTSA-N 1 0 243.307 -1.123 20 0 BAADRO O=C(N[C@H]1CC[NH2+]C1)N1CCC[C@@](O)(CO)C1 ZINC000568290755 326342066 /nfs/dbraw/zinc/34/20/66/326342066.db2.gz QZMYPXOJYNDQLH-ONGXEEELSA-N 1 0 243.307 -1.123 20 0 BAADRO CC(C)(O)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000568292185 326341987 /nfs/dbraw/zinc/34/19/87/326341987.db2.gz GWPHTNOUIOHHGQ-QMMMGPOBSA-N 1 0 243.307 -1.258 20 0 BAADRO [NH3+]CC(=O)NCC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000568389021 326352838 /nfs/dbraw/zinc/35/28/38/326352838.db2.gz JSLPKTXILQNOCZ-BDAKNGLRSA-N 1 0 242.323 -1.305 20 0 BAADRO [NH3+]CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000568389022 326352908 /nfs/dbraw/zinc/35/29/08/326352908.db2.gz JSLPKTXILQNOCZ-DTWKUNHWSA-N 1 0 242.323 -1.305 20 0 BAADRO [NH3+]CC(=O)NCC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000568389023 326352845 /nfs/dbraw/zinc/35/28/45/326352845.db2.gz JSLPKTXILQNOCZ-IUCAKERBSA-N 1 0 242.323 -1.305 20 0 BAADRO [NH3+]CC(=O)NCC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000568389024 326352850 /nfs/dbraw/zinc/35/28/50/326352850.db2.gz JSLPKTXILQNOCZ-RKDXNWHRSA-N 1 0 242.323 -1.305 20 0 BAADRO COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC(=O)N(C)C1 ZINC000568389663 326353212 /nfs/dbraw/zinc/35/32/12/326353212.db2.gz VFAUWSSRXCVLJE-BQBZGAKWSA-N 1 0 243.263 -1.776 20 0 BAADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CN1CN=NC1=O ZINC000568389925 326353188 /nfs/dbraw/zinc/35/31/88/326353188.db2.gz HQQADTZSNLULPM-BQBZGAKWSA-N 1 0 225.252 -1.068 20 0 BAADRO COC[C@@H](O)C[NH2+][C@@H](CO)CN(C)C ZINC000568393443 322935273 /nfs/dbraw/zinc/93/52/73/322935273.db2.gz AZULHLNURWWTPB-BDAKNGLRSA-N 1 0 206.286 -1.494 20 0 BAADRO CN(C[C@@H]1CCCO1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000568492204 326359262 /nfs/dbraw/zinc/35/92/62/326359262.db2.gz RJEKPPMJNFBTPS-VIFPVBQESA-N 1 0 241.291 -1.288 20 0 BAADRO C[C@H]1C[NH2+]CCN1Cc1nc(=O)n(C)[nH]1 ZINC000568512171 326361907 /nfs/dbraw/zinc/36/19/07/326361907.db2.gz LYEDCHFDTAATAQ-ZETCQYMHSA-N 1 0 211.269 -1.098 20 0 BAADRO C[NH2+]CCNC(=O)CN1CCOCC1 ZINC000568512621 326361714 /nfs/dbraw/zinc/36/17/14/326361714.db2.gz YZPFRFXTZKTFBL-UHFFFAOYSA-N 1 0 201.270 -1.346 20 0 BAADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H](C)[NH3+])C1 ZINC000568513125 326361846 /nfs/dbraw/zinc/36/18/46/326361846.db2.gz DCXPXOXCNGISNB-JGVFFNPUSA-N 1 0 249.336 -1.126 20 0 BAADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@H](C)[NH3+])C1 ZINC000568513126 326361821 /nfs/dbraw/zinc/36/18/21/326361821.db2.gz DCXPXOXCNGISNB-YUMQZZPRSA-N 1 0 249.336 -1.126 20 0 BAADRO O=C(N[C@H]1[C@@H]2COC[C@@H]21)C(=O)N[C@H]1CC[NH2+]C1 ZINC000568535183 326365007 /nfs/dbraw/zinc/36/50/07/326365007.db2.gz UQWSIPWOOQJDPX-RBXMUDONSA-N 1 0 239.275 -1.775 20 0 BAADRO COCCOCC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000568567771 326365439 /nfs/dbraw/zinc/36/54/39/326365439.db2.gz TTYGINSDAASNRW-UWVGGRQHSA-N 1 0 246.307 -1.217 20 0 BAADRO O=c1n(CCN2CC[NH2+]CC2)nnn1C1CC1 ZINC000568627834 326368415 /nfs/dbraw/zinc/36/84/15/326368415.db2.gz HSMHLKSBEHLYIE-UHFFFAOYSA-N 1 0 238.295 -1.320 20 0 BAADRO O=C(CC[C@@H]1CC[NH2+]C1)NC1=NCC(=O)N1 ZINC000568628036 326368866 /nfs/dbraw/zinc/36/88/66/326368866.db2.gz MDOBRMNZNGDHGE-SSDOTTSWSA-N 1 0 224.264 -1.022 20 0 BAADRO O=C(CC[C@H]1CC[NH2+]C1)NC1=NCC(=O)N1 ZINC000568628041 326368864 /nfs/dbraw/zinc/36/88/64/326368864.db2.gz MDOBRMNZNGDHGE-ZETCQYMHSA-N 1 0 224.264 -1.022 20 0 BAADRO CCO[C@H]1C[C@@H](NC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000568731864 326373997 /nfs/dbraw/zinc/37/39/97/326373997.db2.gz ILTMBLBDVZZTNP-OTSSQURYSA-N 1 0 241.291 -1.242 20 0 BAADRO COC(=O)C1(NC(=O)COC2C[NH2+]C2)CC1 ZINC000568747589 326374746 /nfs/dbraw/zinc/37/47/46/326374746.db2.gz FQNJJQYLCREHRV-UHFFFAOYSA-N 1 0 228.248 -1.203 20 0 BAADRO Cn1cnn(CC(=O)NC(C)(C)C[NH3+])c1=O ZINC000568750345 326375021 /nfs/dbraw/zinc/37/50/21/326375021.db2.gz DLADQKPAAQYPDW-UHFFFAOYSA-N 1 0 227.268 -1.565 20 0 BAADRO NC(=O)NC(=O)CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000568762961 326375828 /nfs/dbraw/zinc/37/58/28/326375828.db2.gz DWAQBZZECIRFTE-OLQVQODUSA-N 1 0 228.252 -1.575 20 0 BAADRO CN(CC(=O)N1CC[NH2+]CC1)[C@@H]1CCNC1=O ZINC000568765408 326376458 /nfs/dbraw/zinc/37/64/58/326376458.db2.gz CXLXXNYKUJPTED-SECBINFHSA-N 1 0 240.307 -1.762 20 0 BAADRO CN(CC(=O)N1CC[NH2+]CC1)[C@H]1CCNC1=O ZINC000568765409 326376435 /nfs/dbraw/zinc/37/64/35/326376435.db2.gz CXLXXNYKUJPTED-VIFPVBQESA-N 1 0 240.307 -1.762 20 0 BAADRO C[C@@H]1C(=O)NCCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000568783105 326377590 /nfs/dbraw/zinc/37/75/90/326377590.db2.gz MMHSBHMIIASPLU-SFYZADRCSA-N 1 0 226.280 -1.122 20 0 BAADRO C[C@H]1C(=O)NCCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000568783106 326377638 /nfs/dbraw/zinc/37/76/38/326377638.db2.gz MMHSBHMIIASPLU-YUMQZZPRSA-N 1 0 226.280 -1.122 20 0 BAADRO COC(=O)[C@@H]1CN(C(=O)C[NH3+])CCO1 ZINC000568876585 326380648 /nfs/dbraw/zinc/38/06/48/326380648.db2.gz CWVUFCTZINUNSR-LURJTMIESA-N 1 0 202.210 -1.655 20 0 BAADRO COC(=O)[C@H]1CN(C(=O)C[NH3+])CCO1 ZINC000568876586 326380630 /nfs/dbraw/zinc/38/06/30/326380630.db2.gz CWVUFCTZINUNSR-ZCFIWIBFSA-N 1 0 202.210 -1.655 20 0 BAADRO O=C(CC1CC[NH2+]CC1)NC1=NCC(=O)N1 ZINC000568982325 326384468 /nfs/dbraw/zinc/38/44/68/326384468.db2.gz QUWXNNRRWINVLE-UHFFFAOYSA-N 1 0 224.264 -1.022 20 0 BAADRO COCCN1CCN(CCOCC[NH3+])CC1=O ZINC000568985140 385144711 /nfs/dbraw/zinc/14/47/11/385144711.db2.gz AGVMGWZXQKDUSR-UHFFFAOYSA-N 1 0 245.323 -1.248 20 0 BAADRO [NH3+]CC(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000568987048 326385069 /nfs/dbraw/zinc/38/50/69/326385069.db2.gz WZFNBMRDLIXOKO-SECBINFHSA-N 1 0 240.307 -1.632 20 0 BAADRO [NH3+]CC(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000568987050 326385083 /nfs/dbraw/zinc/38/50/83/326385083.db2.gz WZFNBMRDLIXOKO-VIFPVBQESA-N 1 0 240.307 -1.632 20 0 BAADRO C[C@@H]([NH3+])C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000569101469 326390085 /nfs/dbraw/zinc/39/00/85/326390085.db2.gz RPZARTLWXOGMJI-ZCFIWIBFSA-N 1 0 225.252 -1.397 20 0 BAADRO COC[C@@H](O)C[NH2+][C@@H](CO)CN1CCOCC1 ZINC000569103390 326390030 /nfs/dbraw/zinc/39/00/30/326390030.db2.gz FYPPDYZWXWOKMW-MNOVXSKESA-N 1 0 248.323 -1.724 20 0 BAADRO COC[C@@H](O)C[NH2+][C@H](CO)CN1CCOCC1 ZINC000569103391 326390070 /nfs/dbraw/zinc/39/00/70/326390070.db2.gz FYPPDYZWXWOKMW-QWRGUYRKSA-N 1 0 248.323 -1.724 20 0 BAADRO CCOC(=O)CN(CC(N)=O)C(=O)CC[NH3+] ZINC000569105308 326390452 /nfs/dbraw/zinc/39/04/52/326390452.db2.gz YCXBFHUMTAACEE-UHFFFAOYSA-N 1 0 231.252 -1.788 20 0 BAADRO COCCN(C)CC[NH2+]CCC(=O)NC(N)=O ZINC000569109635 326390579 /nfs/dbraw/zinc/39/05/79/326390579.db2.gz AUBLYMMMKUBUSB-UHFFFAOYSA-N 1 0 246.311 -1.261 20 0 BAADRO COC(=O)[C@H](C)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000569120677 326391881 /nfs/dbraw/zinc/39/18/81/326391881.db2.gz MRWLYEFPQZNKAU-CIUDSAMLSA-N 1 0 241.291 -1.208 20 0 BAADRO COC(=O)[C@H](C)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000569120678 326391805 /nfs/dbraw/zinc/39/18/05/326391805.db2.gz MRWLYEFPQZNKAU-DJLDLDEBSA-N 1 0 241.291 -1.208 20 0 BAADRO COC(=O)[C@H](C)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000569120679 326391844 /nfs/dbraw/zinc/39/18/44/326391844.db2.gz MRWLYEFPQZNKAU-XHNCKOQMSA-N 1 0 241.291 -1.208 20 0 BAADRO COC(=O)[C@H](C)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000569120680 326391816 /nfs/dbraw/zinc/39/18/16/326391816.db2.gz MRWLYEFPQZNKAU-YIZRAAEISA-N 1 0 241.291 -1.208 20 0 BAADRO CNC(=O)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C)C1 ZINC000569138410 326392683 /nfs/dbraw/zinc/39/26/83/326392683.db2.gz UWZSUVFOYBJJGP-IUCAKERBSA-N 1 0 215.297 -1.271 20 0 BAADRO [NH3+][C@H](CNC(=O)CN1CCNCC1=O)C1CC1 ZINC000569220597 326395690 /nfs/dbraw/zinc/39/56/90/326395690.db2.gz VZUIQJYXIALDBF-SECBINFHSA-N 1 0 240.307 -1.728 20 0 BAADRO CN(CCC[NH3+])C(=O)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000569237578 326397096 /nfs/dbraw/zinc/39/70/96/326397096.db2.gz MKMVPLWMORFLCC-BRPSZJMVSA-N 1 0 241.291 -1.445 20 0 BAADRO CC[C@@H]([NH3+])C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000569241016 326397216 /nfs/dbraw/zinc/39/72/16/326397216.db2.gz KTPUEUSBFDIKTM-SSDOTTSWSA-N 1 0 239.279 -1.007 20 0 BAADRO CCOC[C@@H](O)CN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000569257139 326398030 /nfs/dbraw/zinc/39/80/30/326398030.db2.gz XFPJRJZOPNATFR-DCAQKATOSA-N 1 0 232.324 -1.010 20 0 BAADRO CCOC[C@H](O)CN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000569257143 326398121 /nfs/dbraw/zinc/39/81/21/326398121.db2.gz XFPJRJZOPNATFR-VWYCJHECSA-N 1 0 232.324 -1.010 20 0 BAADRO C[C@]1(CO)CCCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000569324157 326400023 /nfs/dbraw/zinc/40/00/23/326400023.db2.gz WYVOBIGGHLJGSO-LLVKDONJSA-N 1 0 241.291 -1.552 20 0 BAADRO C[C@@]1(CO)CCCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000569324158 326399938 /nfs/dbraw/zinc/39/99/38/326399938.db2.gz WYVOBIGGHLJGSO-NSHDSACASA-N 1 0 241.291 -1.552 20 0 BAADRO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CO[C@H](C)C1 ZINC000569363639 383917256 /nfs/dbraw/zinc/91/72/56/383917256.db2.gz IQLRJHWVKMSPIG-HLTSFMKQSA-N 1 0 243.307 -1.009 20 0 BAADRO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CO[C@@H](C)C1 ZINC000569363644 383918790 /nfs/dbraw/zinc/91/87/90/383918790.db2.gz IQLRJHWVKMSPIG-HRDYMLBCSA-N 1 0 243.307 -1.009 20 0 BAADRO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CO[C@H](C)C1 ZINC000569363645 322964623 /nfs/dbraw/zinc/96/46/23/322964623.db2.gz IQLRJHWVKMSPIG-IWSPIJDZSA-N 1 0 243.307 -1.009 20 0 BAADRO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CO[C@@H](C)C1 ZINC000569363646 322964615 /nfs/dbraw/zinc/96/46/15/322964615.db2.gz IQLRJHWVKMSPIG-VGMNWLOBSA-N 1 0 243.307 -1.009 20 0 BAADRO [NH3+]CCNC(=O)NCCN1CCCC1=O ZINC000569370688 383955244 /nfs/dbraw/zinc/95/52/44/383955244.db2.gz KJTGZPPZQOTNIY-UHFFFAOYSA-N 1 0 214.269 -1.133 20 0 BAADRO CCOC(=O)CNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000569452562 322966456 /nfs/dbraw/zinc/96/64/56/322966456.db2.gz MRJQWKMFKZXFFD-LURJTMIESA-N 1 0 232.236 -1.444 20 0 BAADRO CC1(C(N)=O)C[NH+](CCOCCO)C1 ZINC000569453087 322966554 /nfs/dbraw/zinc/96/65/54/322966554.db2.gz RQNUGYSGFXLLAI-UHFFFAOYSA-N 1 0 202.254 -1.198 20 0 BAADRO CC(C)C[C@](C)(C[NH3+])NC(=O)CNC(=O)C[NH3+] ZINC000569458575 384064793 /nfs/dbraw/zinc/06/47/93/384064793.db2.gz AWWLZHKVPYKUBQ-LLVKDONJSA-N 1 0 244.339 -1.059 20 0 BAADRO C[C@H](C[NH3+])CNC(=O)Cn1ncn(C)c1=O ZINC000569482482 322967646 /nfs/dbraw/zinc/96/76/46/322967646.db2.gz JLKNLQSHKJQEMV-SSDOTTSWSA-N 1 0 227.268 -1.707 20 0 BAADRO C[C@@H](C[NH3+])CNC(=O)Cn1ncn(C)c1=O ZINC000569482483 384106170 /nfs/dbraw/zinc/10/61/70/384106170.db2.gz JLKNLQSHKJQEMV-ZETCQYMHSA-N 1 0 227.268 -1.707 20 0 BAADRO CC[C@H]([NH3+])C(=O)N1CCO[C@@H](C(=O)NC)C1 ZINC000569482731 322967682 /nfs/dbraw/zinc/96/76/82/322967682.db2.gz RVNPGTSQPHONAO-JGVFFNPUSA-N 1 0 229.280 -1.303 20 0 BAADRO CC[C@H]([NH3+])C(=O)N1CCO[C@H](C(=O)NC)C1 ZINC000569482735 322967759 /nfs/dbraw/zinc/96/77/59/322967759.db2.gz RVNPGTSQPHONAO-YUMQZZPRSA-N 1 0 229.280 -1.303 20 0 BAADRO CC(C)[NH2+]CCC(=O)NC1=NCC(=O)N1 ZINC000569482884 384107150 /nfs/dbraw/zinc/10/71/50/384107150.db2.gz XRAKDOVNCCMWAG-UHFFFAOYSA-N 1 0 212.253 -1.024 20 0 BAADRO CC1(C(=O)Nc2ccn(CC(N)=O)n2)C[NH2+]C1 ZINC000569567633 412329867 /nfs/dbraw/zinc/32/98/67/412329867.db2.gz QAMLKXHUFHOUQI-UHFFFAOYSA-N 1 0 237.263 -1.084 20 0 BAADRO O=C(NCCN1CC[NH2+]CC1)[C@@H]1CSCN1 ZINC000569576586 384279729 /nfs/dbraw/zinc/27/97/29/384279729.db2.gz BQYSQDNGVQFUPW-VIFPVBQESA-N 1 0 244.364 -1.330 20 0 BAADRO CCS(=O)(=O)NCC(=O)N(C)C1CC([NH3+])C1 ZINC000569692815 323037057 /nfs/dbraw/zinc/03/70/57/323037057.db2.gz KDHDUYJETUKOAZ-UHFFFAOYSA-N 1 0 249.336 -1.126 20 0 BAADRO O=C(C[NH2+]C(CO)CO)NC(=O)NC1CC1 ZINC000569706240 323037787 /nfs/dbraw/zinc/03/77/87/323037787.db2.gz LDVHUCMXEBJTPO-UHFFFAOYSA-N 1 0 231.252 -2.083 20 0 BAADRO CC(=O)NCCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC000569814547 323041306 /nfs/dbraw/zinc/04/13/06/323041306.db2.gz LSCNPVLARREQJV-JTQLQIEISA-N 1 0 243.307 -1.089 20 0 BAADRO CC(=O)NCCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC000569814550 323041333 /nfs/dbraw/zinc/04/13/33/323041333.db2.gz LSCNPVLARREQJV-SNVBAGLBSA-N 1 0 243.307 -1.089 20 0 BAADRO CC[C@H](O)C[NH2+]CCN1C(=O)CNC1=O ZINC000569837064 323042204 /nfs/dbraw/zinc/04/22/04/323042204.db2.gz GHANTSVNWQREKF-ZETCQYMHSA-N 1 0 215.253 -1.101 20 0 BAADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC(F)C1 ZINC000569868940 323043378 /nfs/dbraw/zinc/04/33/78/323043378.db2.gz LUFSEFVWGHLOHV-ZETCQYMHSA-N 1 0 215.228 -1.355 20 0 BAADRO COC(=O)[C@H]1COCCN1C(=O)[C@H]1CC[NH2+]1 ZINC000569920121 323044544 /nfs/dbraw/zinc/04/45/44/323044544.db2.gz JEGKOHVDEPYALR-HTQZYQBOSA-N 1 0 228.248 -1.251 20 0 BAADRO COC(=O)[C@@H]1COCCN1C(=O)[C@H]1CC[NH2+]1 ZINC000569920122 323044534 /nfs/dbraw/zinc/04/45/34/323044534.db2.gz JEGKOHVDEPYALR-SFYZADRCSA-N 1 0 228.248 -1.251 20 0 BAADRO CNC(=O)[C@H]1CN(C(=O)C2(C)C[NH2+]C2)CCO1 ZINC000569925634 323044649 /nfs/dbraw/zinc/04/46/49/323044649.db2.gz OJFYVNXWFFIAIO-MRVPVSSYSA-N 1 0 241.291 -1.431 20 0 BAADRO CNC(=O)[C@@H]1CN(C(=O)C2(C)C[NH2+]C2)CCO1 ZINC000569925635 323044705 /nfs/dbraw/zinc/04/47/05/323044705.db2.gz OJFYVNXWFFIAIO-QMMMGPOBSA-N 1 0 241.291 -1.431 20 0 BAADRO [NH3+]C1(C(=O)NCCNC(=O)c2ccn[nH]2)CC1 ZINC000569929321 323044974 /nfs/dbraw/zinc/04/49/74/323044974.db2.gz OKHYUDDVKZYSFC-UHFFFAOYSA-N 1 0 237.263 -1.253 20 0 BAADRO O=C(CNC(=O)C1CC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000569971063 323046197 /nfs/dbraw/zinc/04/61/97/323046197.db2.gz CQVYYJHAAHBCPQ-MBTKJCJQSA-N 1 0 223.276 -1.153 20 0 BAADRO O=C(CN1CCNCC1=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000569971431 323046062 /nfs/dbraw/zinc/04/60/62/323046062.db2.gz YUDLCKQXUSPJQK-VROVMSAKSA-N 1 0 238.291 -2.248 20 0 BAADRO C[C@H]1CN(C(=O)C[NH3+])CCN1S(C)(=O)=O ZINC000569972725 323046092 /nfs/dbraw/zinc/04/60/92/323046092.db2.gz OIWIHFGFCYOEPW-ZETCQYMHSA-N 1 0 235.309 -1.563 20 0 BAADRO COC(=O)c1cn(CC(=O)N[C@H](C)C[NH3+])nn1 ZINC000569972871 323046317 /nfs/dbraw/zinc/04/63/17/323046317.db2.gz ZOQISQXTERKCCM-ZCFIWIBFSA-N 1 0 241.251 -1.472 20 0 BAADRO C[C@H]([NH2+]C1CC1)C(=O)NCCC(=O)NC(N)=O ZINC000570043004 323048318 /nfs/dbraw/zinc/04/83/18/323048318.db2.gz OHNSUODPDCQDDA-LURJTMIESA-N 1 0 242.279 -1.172 20 0 BAADRO C[C@@H]([NH2+]C1CC1)C(=O)NCCC(=O)NC(N)=O ZINC000570043006 323048248 /nfs/dbraw/zinc/04/82/48/323048248.db2.gz OHNSUODPDCQDDA-ZCFIWIBFSA-N 1 0 242.279 -1.172 20 0 BAADRO COC(=O)C1(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000570045921 323048415 /nfs/dbraw/zinc/04/84/15/323048415.db2.gz IFZWSRZRNCINRZ-JGVFFNPUSA-N 1 0 242.275 -1.221 20 0 BAADRO CS(=O)(=O)NCCNC(=O)CC1(C[NH3+])CC1 ZINC000570079672 323049254 /nfs/dbraw/zinc/04/92/54/323049254.db2.gz OEDQLPMSANXCDR-UHFFFAOYSA-N 1 0 249.336 -1.219 20 0 BAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+]C ZINC000570091414 323049519 /nfs/dbraw/zinc/04/95/19/323049519.db2.gz KAHIUSDNYJNHAW-UHFFFAOYSA-N 1 0 223.298 -1.739 20 0 BAADRO O=C(NCCNC(=O)[C@H]1CC[NH2+]1)c1ccn[nH]1 ZINC000570160143 323051277 /nfs/dbraw/zinc/05/12/77/323051277.db2.gz ZOMKMCCORLPSIZ-SSDOTTSWSA-N 1 0 237.263 -1.382 20 0 BAADRO C[NH2+]CCNC(=O)CN(C)C(=O)COC ZINC000570210830 323053027 /nfs/dbraw/zinc/05/30/27/323053027.db2.gz YKNJZBDEHSEZLX-UHFFFAOYSA-N 1 0 217.269 -1.573 20 0 BAADRO CC[C@@H]([NH3+])CNC(=O)CCNS(C)(=O)=O ZINC000570211443 323052944 /nfs/dbraw/zinc/05/29/44/323052944.db2.gz DVHIMUVVUYNSSV-SSDOTTSWSA-N 1 0 237.325 -1.221 20 0 BAADRO CC[C@H]([NH3+])CNC(=O)CCNS(C)(=O)=O ZINC000570211452 323053002 /nfs/dbraw/zinc/05/30/02/323053002.db2.gz DVHIMUVVUYNSSV-ZETCQYMHSA-N 1 0 237.325 -1.221 20 0 BAADRO CN1C(=O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1=O ZINC000570225144 323053182 /nfs/dbraw/zinc/05/31/82/323053182.db2.gz LGDRGZYHOOLXCZ-MRVPVSSYSA-N 1 0 239.275 -1.235 20 0 BAADRO CN1C(=O)CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1=O ZINC000570225145 323053061 /nfs/dbraw/zinc/05/30/61/323053061.db2.gz LGDRGZYHOOLXCZ-QMMMGPOBSA-N 1 0 239.275 -1.235 20 0 BAADRO CO[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000570226785 323053905 /nfs/dbraw/zinc/05/39/05/323053905.db2.gz WPPGDNZUMLYWPX-IUCAKERBSA-N 1 0 241.291 -1.288 20 0 BAADRO CC[C@H](CNS(C)(=O)=O)[NH2+]CCC(N)=O ZINC000570272781 323054388 /nfs/dbraw/zinc/05/43/88/323054388.db2.gz GSCMTGGWUVLUPT-SSDOTTSWSA-N 1 0 237.325 -1.221 20 0 BAADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]CCC(N)=O ZINC000570272790 323054374 /nfs/dbraw/zinc/05/43/74/323054374.db2.gz GSCMTGGWUVLUPT-ZETCQYMHSA-N 1 0 237.325 -1.221 20 0 BAADRO CCN(C)C(=O)CNC(=O)CCOC1C[NH2+]C1 ZINC000570277755 323054827 /nfs/dbraw/zinc/05/48/27/323054827.db2.gz BXXZVQOJZLSFTM-UHFFFAOYSA-N 1 0 243.307 -1.041 20 0 BAADRO C[C@H]1CN(C(=O)CN2CN=NC2=O)CC[NH2+]1 ZINC000570277958 323054884 /nfs/dbraw/zinc/05/48/84/323054884.db2.gz UONPFXCOMMTTAQ-ZETCQYMHSA-N 1 0 225.252 -1.196 20 0 BAADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCC2CC2)CCO1 ZINC000570281034 323054994 /nfs/dbraw/zinc/05/49/94/323054994.db2.gz XICJYCGLIMWJAZ-SECBINFHSA-N 1 0 241.291 -1.301 20 0 BAADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCC2CC2)CCO1 ZINC000570281035 323054978 /nfs/dbraw/zinc/05/49/78/323054978.db2.gz XICJYCGLIMWJAZ-VIFPVBQESA-N 1 0 241.291 -1.301 20 0 BAADRO [NH3+][C@@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC000570281104 323054959 /nfs/dbraw/zinc/05/49/59/323054959.db2.gz VQIXOZVAJBFFME-SECBINFHSA-N 1 0 213.281 -1.122 20 0 BAADRO O=C(NCCOCC1CC1)C(=O)NC1C[NH2+]C1 ZINC000570308163 323055922 /nfs/dbraw/zinc/05/59/22/323055922.db2.gz ZBMHWCBOTPMQJM-UHFFFAOYSA-N 1 0 241.291 -1.383 20 0 BAADRO CNC(=O)[C@@]1(C)CC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000570341380 323056609 /nfs/dbraw/zinc/05/66/09/323056609.db2.gz PTMHCBMUMZGCSL-CPCISQLKSA-N 1 0 239.275 -1.141 20 0 BAADRO CNC(=O)[C@@]1(C)CC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000570341384 323056616 /nfs/dbraw/zinc/05/66/16/323056616.db2.gz PTMHCBMUMZGCSL-HQJQHLMTSA-N 1 0 239.275 -1.141 20 0 BAADRO CNC(=O)[C@]1(C)CC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000570341385 323056613 /nfs/dbraw/zinc/05/66/13/323056613.db2.gz PTMHCBMUMZGCSL-RDDDGLTNSA-N 1 0 239.275 -1.141 20 0 BAADRO CNC(=O)[C@]1(C)CC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000570341387 323056704 /nfs/dbraw/zinc/05/67/04/323056704.db2.gz PTMHCBMUMZGCSL-WRWORJQWSA-N 1 0 239.275 -1.141 20 0 BAADRO CO[C@@H]1COC[C@H]1[NH2+]CCOCCO ZINC000570394742 323057916 /nfs/dbraw/zinc/05/79/16/323057916.db2.gz KQCJDSLENGWZOV-RKDXNWHRSA-N 1 0 205.254 -1.001 20 0 BAADRO NC(=O)NC(=O)CCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000570394948 323057982 /nfs/dbraw/zinc/05/79/82/323057982.db2.gz XKVJXWKZOUIGMM-MRVPVSSYSA-N 1 0 242.279 -1.185 20 0 BAADRO NC(=O)NC(=O)CCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000570394949 323057960 /nfs/dbraw/zinc/05/79/60/323057960.db2.gz XKVJXWKZOUIGMM-QMMMGPOBSA-N 1 0 242.279 -1.185 20 0 BAADRO CCC[NH2+][C@H](C)C(=O)NCCS(N)(=O)=O ZINC000570395077 323057986 /nfs/dbraw/zinc/05/79/86/323057986.db2.gz BGNFPMJBMHDEPA-SSDOTTSWSA-N 1 0 237.325 -1.221 20 0 BAADRO CCC[NH2+][C@@H](C)C(=O)NCCS(N)(=O)=O ZINC000570395079 323057912 /nfs/dbraw/zinc/05/79/12/323057912.db2.gz BGNFPMJBMHDEPA-ZETCQYMHSA-N 1 0 237.325 -1.221 20 0 BAADRO [NH3+]CC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000570398236 323058560 /nfs/dbraw/zinc/05/85/60/323058560.db2.gz VKROFPKVCHLXND-UHFFFAOYSA-N 1 0 211.225 -1.786 20 0 BAADRO CC[C@@]1(O)CCN(C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000570426589 323059364 /nfs/dbraw/zinc/05/93/64/323059364.db2.gz JNLPFALJRSMIGE-LLVKDONJSA-N 1 0 241.291 -1.552 20 0 BAADRO CC[C@]1(O)CCN(C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000570426593 323059373 /nfs/dbraw/zinc/05/93/73/323059373.db2.gz JNLPFALJRSMIGE-NSHDSACASA-N 1 0 241.291 -1.552 20 0 BAADRO CNC(=O)NC(=O)CC[N@H+](C)CCNC(C)=O ZINC000570448693 323059827 /nfs/dbraw/zinc/05/98/27/323059827.db2.gz RSHQUWADTVACTL-UHFFFAOYSA-N 1 0 244.295 -1.100 20 0 BAADRO CN(CC[NH3+])C(=O)Cn1ccc(=O)n(C)c1=O ZINC000570449445 323059810 /nfs/dbraw/zinc/05/98/10/323059810.db2.gz DGZSWDUUKWGMKO-UHFFFAOYSA-N 1 0 240.263 -2.036 20 0 BAADRO [NH3+]CCNC(=O)C(=O)NCCOCC1CCC1 ZINC000570451946 323060111 /nfs/dbraw/zinc/06/01/11/323060111.db2.gz YVENWGBWLNDHJI-UHFFFAOYSA-N 1 0 243.307 -1.006 20 0 BAADRO CO[C@@H]1COC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC000570512909 323061774 /nfs/dbraw/zinc/06/17/74/323061774.db2.gz SLTFWOWLQHMEFD-PHDIDXHHSA-N 1 0 217.225 -1.815 20 0 BAADRO C[NH2+]CCNC(=O)Cn1cc(C(=O)OC)nn1 ZINC000570570270 323063466 /nfs/dbraw/zinc/06/34/66/323063466.db2.gz NNMUMKFOSYFIOS-UHFFFAOYSA-N 1 0 241.251 -1.600 20 0 BAADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCCOCC1 ZINC000570584113 323063628 /nfs/dbraw/zinc/06/36/28/323063628.db2.gz ULJAAEKJQWASQY-VIFPVBQESA-N 1 0 241.291 -1.287 20 0 BAADRO Cn1cnn(CC(=O)N[C@H](C[NH3+])C2CC2)c1=O ZINC000570625306 323065103 /nfs/dbraw/zinc/06/51/03/323065103.db2.gz MXDRWBMNKGDHIZ-MRVPVSSYSA-N 1 0 239.279 -1.565 20 0 BAADRO Cn1cnn(CC(=O)N[C@@H](C[NH3+])C2CC2)c1=O ZINC000570625307 323065052 /nfs/dbraw/zinc/06/50/52/323065052.db2.gz MXDRWBMNKGDHIZ-QMMMGPOBSA-N 1 0 239.279 -1.565 20 0 BAADRO CNS(=O)(=O)CC(=O)N(C)C1(C[NH3+])CCC1 ZINC000570633361 323065368 /nfs/dbraw/zinc/06/53/68/323065368.db2.gz PBMKSRDTRSXZBU-UHFFFAOYSA-N 1 0 249.336 -1.125 20 0 BAADRO C[C@@H](NC(=O)C(C)(C)O)C(=O)NCC[NH+](C)C ZINC000570696080 323067558 /nfs/dbraw/zinc/06/75/58/323067558.db2.gz IAIUMGBYURISOW-MRVPVSSYSA-N 1 0 245.323 -1.060 20 0 BAADRO C[C@H](NC(=O)C(C)(C)O)C(=O)NCC[NH+](C)C ZINC000570696081 323067646 /nfs/dbraw/zinc/06/76/46/323067646.db2.gz IAIUMGBYURISOW-QMMMGPOBSA-N 1 0 245.323 -1.060 20 0 BAADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCNC(=O)C1 ZINC000570698812 323067745 /nfs/dbraw/zinc/06/77/45/323067745.db2.gz ZGAHPRCSRXFDGC-ZETCQYMHSA-N 1 0 240.263 -2.577 20 0 BAADRO CN1CCN(C(=O)CCOC2C[NH2+]C2)CC1=O ZINC000570715513 323068475 /nfs/dbraw/zinc/06/84/75/323068475.db2.gz HGGSNLLCFOAJDO-UHFFFAOYSA-N 1 0 241.291 -1.335 20 0 BAADRO CC(=O)[C@H](NC(=O)C[NH2+]C(CO)CO)C(C)C ZINC000570736922 323068910 /nfs/dbraw/zinc/06/89/10/323068910.db2.gz OVWLOEILCQYACT-LLVKDONJSA-N 1 0 246.307 -1.341 20 0 BAADRO CC(=O)[C@@H](NC(=O)C[NH2+]C(CO)CO)C(C)C ZINC000570736925 323068916 /nfs/dbraw/zinc/06/89/16/323068916.db2.gz OVWLOEILCQYACT-NSHDSACASA-N 1 0 246.307 -1.341 20 0 BAADRO CC[C@@H]1OCC[C@H]1NC(=O)C(=O)NC1C[NH2+]C1 ZINC000570786142 323070097 /nfs/dbraw/zinc/07/00/97/323070097.db2.gz JXRJDJMVMGGCSQ-BDAKNGLRSA-N 1 0 241.291 -1.242 20 0 BAADRO CCS(=O)(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000570816636 323071679 /nfs/dbraw/zinc/07/16/79/323071679.db2.gz SKCSMTKLCDYHFF-HTQZYQBOSA-N 1 0 247.320 -1.420 20 0 BAADRO CCS(=O)(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000570816638 323071578 /nfs/dbraw/zinc/07/15/78/323071578.db2.gz SKCSMTKLCDYHFF-JGVFFNPUSA-N 1 0 247.320 -1.420 20 0 BAADRO CCS(=O)(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000570816639 323071681 /nfs/dbraw/zinc/07/16/81/323071681.db2.gz SKCSMTKLCDYHFF-SFYZADRCSA-N 1 0 247.320 -1.420 20 0 BAADRO CCS(=O)(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000570816640 323071576 /nfs/dbraw/zinc/07/15/76/323071576.db2.gz SKCSMTKLCDYHFF-YUMQZZPRSA-N 1 0 247.320 -1.420 20 0 BAADRO CN1CC[C@@H](NC(=O)N[C@H]2CC[NH2+]C2)C1=O ZINC000570818171 323071346 /nfs/dbraw/zinc/07/13/46/323071346.db2.gz ODSITHIGOSGBJQ-JGVFFNPUSA-N 1 0 226.280 -1.122 20 0 BAADRO CN1CC[C@H](NC(=O)N[C@H]2CC[NH2+]C2)C1=O ZINC000570818172 323071325 /nfs/dbraw/zinc/07/13/25/323071325.db2.gz ODSITHIGOSGBJQ-YUMQZZPRSA-N 1 0 226.280 -1.122 20 0 BAADRO CNC(=O)CN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000570822326 323071623 /nfs/dbraw/zinc/07/16/23/323071623.db2.gz CYMZFZYPYWBYLT-YUMQZZPRSA-N 1 0 201.270 -1.661 20 0 BAADRO COC(=O)C[C@H]1C(=O)NCCN1C(=O)C[NH3+] ZINC000570845134 323072450 /nfs/dbraw/zinc/07/24/50/323072450.db2.gz IGPNLOPUYUMMCN-LURJTMIESA-N 1 0 229.236 -2.165 20 0 BAADRO COC(=O)C[C@@H]1C(=O)NCCN1C(=O)C[NH3+] ZINC000570845135 323072476 /nfs/dbraw/zinc/07/24/76/323072476.db2.gz IGPNLOPUYUMMCN-ZCFIWIBFSA-N 1 0 229.236 -2.165 20 0 BAADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[NH3+])CO1 ZINC000570928812 323074539 /nfs/dbraw/zinc/07/45/39/323074539.db2.gz RBPLQHNJRJKLAV-HTQZYQBOSA-N 1 0 229.280 -1.303 20 0 BAADRO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[NH3+])CO1 ZINC000570928813 323074504 /nfs/dbraw/zinc/07/45/04/323074504.db2.gz RBPLQHNJRJKLAV-JGVFFNPUSA-N 1 0 229.280 -1.303 20 0 BAADRO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[NH3+])CO1 ZINC000570928815 323074597 /nfs/dbraw/zinc/07/45/97/323074597.db2.gz RBPLQHNJRJKLAV-SFYZADRCSA-N 1 0 229.280 -1.303 20 0 BAADRO C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[NH3+])CO1 ZINC000570928816 323074564 /nfs/dbraw/zinc/07/45/64/323074564.db2.gz RBPLQHNJRJKLAV-YUMQZZPRSA-N 1 0 229.280 -1.303 20 0 BAADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@@H]1CO ZINC000570986086 323102987 /nfs/dbraw/zinc/10/29/87/323102987.db2.gz APKMDGLQYSYQJX-DTWKUNHWSA-N 1 0 241.291 -1.552 20 0 BAADRO O=C(CN1CN=NC1=O)N1CCC[NH2+]CC1 ZINC000571080233 323135027 /nfs/dbraw/zinc/13/50/27/323135027.db2.gz UHMKLGJJUKXQAI-UHFFFAOYSA-N 1 0 225.252 -1.194 20 0 BAADRO CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CC([NH3+])C1 ZINC000571083086 323135136 /nfs/dbraw/zinc/13/51/36/323135136.db2.gz BCWSNJXXLWLZCW-ABIFROTESA-N 1 0 241.291 -1.033 20 0 BAADRO CN(C(=O)[C@H]1CC[C@H](C(N)=O)O1)C1CC([NH3+])C1 ZINC000571083087 323135199 /nfs/dbraw/zinc/13/51/99/323135199.db2.gz BCWSNJXXLWLZCW-GEPGNKONSA-N 1 0 241.291 -1.033 20 0 BAADRO CN(C(=O)[C@@H]1CC[C@@H](C(N)=O)O1)C1CC([NH3+])C1 ZINC000571083088 323135216 /nfs/dbraw/zinc/13/52/16/323135216.db2.gz BCWSNJXXLWLZCW-PEBLOWIWSA-N 1 0 241.291 -1.033 20 0 BAADRO CN(C(=O)[C@@H]1CC[C@H](C(N)=O)O1)C1CC([NH3+])C1 ZINC000571083089 323135240 /nfs/dbraw/zinc/13/52/40/323135240.db2.gz BCWSNJXXLWLZCW-YNTFGVKOSA-N 1 0 241.291 -1.033 20 0 BAADRO CN(C)C(=O)CCN(CC[NH3+])CCO ZINC000571165483 323137306 /nfs/dbraw/zinc/13/73/06/323137306.db2.gz CRAWNEHAPCFWKI-UHFFFAOYSA-N 1 0 203.286 -1.282 20 0 BAADRO CCOC(=O)CN(CC(N)=O)C(=O)[C@H](C)[NH2+]C ZINC000571178747 323137184 /nfs/dbraw/zinc/13/71/84/323137184.db2.gz OKHZTXHRZYEVGU-ZETCQYMHSA-N 1 0 245.279 -1.529 20 0 BAADRO NC(=O)NC(=O)CCNC(=O)CC[NH2+]C1CC1 ZINC000571297258 323140769 /nfs/dbraw/zinc/14/07/69/323140769.db2.gz KBUVVVXRVYICGW-UHFFFAOYSA-N 1 0 242.279 -1.170 20 0 BAADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)CC[NH3+])C1 ZINC000571401055 323143626 /nfs/dbraw/zinc/14/36/26/323143626.db2.gz OBAYIGXPVZCFOB-MRVPVSSYSA-N 1 0 249.336 -1.125 20 0 BAADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)CC[NH3+])C1 ZINC000571401059 323143636 /nfs/dbraw/zinc/14/36/36/323143636.db2.gz OBAYIGXPVZCFOB-QMMMGPOBSA-N 1 0 249.336 -1.125 20 0 BAADRO CCS(=O)(=O)NCC(=O)N[C@H](C[NH3+])C1CC1 ZINC000571520663 323146917 /nfs/dbraw/zinc/14/69/17/323146917.db2.gz ILWFKEKSPXMALS-MRVPVSSYSA-N 1 0 249.336 -1.221 20 0 BAADRO CCS(=O)(=O)NCC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000571520669 323146852 /nfs/dbraw/zinc/14/68/52/323146852.db2.gz ILWFKEKSPXMALS-QMMMGPOBSA-N 1 0 249.336 -1.221 20 0 BAADRO CN(C(=O)Cn1ncn(C)c1=O)C1CC([NH3+])C1 ZINC000571522024 323146841 /nfs/dbraw/zinc/14/68/41/323146841.db2.gz BYDJROMZRJKTKY-UHFFFAOYSA-N 1 0 239.279 -1.470 20 0 BAADRO Cn1cnn(CC(=O)NCC(C)(C)[NH3+])c1=O ZINC000571639845 351167016 /nfs/dbraw/zinc/16/70/16/351167016.db2.gz KJZBKVSJNCKJSH-UHFFFAOYSA-N 1 0 227.268 -1.565 20 0 BAADRO CCOCCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000571658982 323169489 /nfs/dbraw/zinc/16/94/89/323169489.db2.gz ZFSDDCBCKDBHFK-QMMMGPOBSA-N 1 0 229.280 -1.383 20 0 BAADRO C[C@H]1C[C@H](NC(=O)C(=O)NC2C[NH2+]C2)CO1 ZINC000571681592 323346767 /nfs/dbraw/zinc/34/67/67/323346767.db2.gz OCURMCBTBYDMFT-BQBZGAKWSA-N 1 0 227.264 -1.632 20 0 BAADRO C[C@H]1C[C@@H](NC(=O)C(=O)NC2C[NH2+]C2)CO1 ZINC000571681593 323346771 /nfs/dbraw/zinc/34/67/71/323346771.db2.gz OCURMCBTBYDMFT-NKWVEPMBSA-N 1 0 227.264 -1.632 20 0 BAADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NC2C[NH2+]C2)CO1 ZINC000571681595 323346617 /nfs/dbraw/zinc/34/66/17/323346617.db2.gz OCURMCBTBYDMFT-RNFRBKRXSA-N 1 0 227.264 -1.632 20 0 BAADRO C[C@@H]1C[C@H](NC(=O)C(=O)NC2C[NH2+]C2)CO1 ZINC000571681596 323346831 /nfs/dbraw/zinc/34/68/31/323346831.db2.gz OCURMCBTBYDMFT-RQJHMYQMSA-N 1 0 227.264 -1.632 20 0 BAADRO COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H](C)[NH3+] ZINC000571803172 323483440 /nfs/dbraw/zinc/48/34/40/323483440.db2.gz VTVPYUPBAQVYSR-BQBZGAKWSA-N 1 0 243.263 -1.776 20 0 BAADRO COC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@H](C)[NH3+] ZINC000571803173 387173707 /nfs/dbraw/zinc/17/37/07/387173707.db2.gz VTVPYUPBAQVYSR-NKWVEPMBSA-N 1 0 243.263 -1.776 20 0 BAADRO COC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H](C)[NH3+] ZINC000571803174 323483382 /nfs/dbraw/zinc/48/33/82/323483382.db2.gz VTVPYUPBAQVYSR-RNFRBKRXSA-N 1 0 243.263 -1.776 20 0 BAADRO COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H](C)[NH3+] ZINC000571803175 323483303 /nfs/dbraw/zinc/48/33/03/323483303.db2.gz VTVPYUPBAQVYSR-RQJHMYQMSA-N 1 0 243.263 -1.776 20 0 BAADRO O=C(C[C@@H]1CCC[NH2+]1)NC1=NCC(=O)N1 ZINC000571879596 323496953 /nfs/dbraw/zinc/49/69/53/323496953.db2.gz WKIQTJJYZDWOBA-LURJTMIESA-N 1 0 210.237 -1.270 20 0 BAADRO O=C(C[C@H]1CCC[NH2+]1)NC1=NCC(=O)N1 ZINC000571879599 323496611 /nfs/dbraw/zinc/49/66/11/323496611.db2.gz WKIQTJJYZDWOBA-ZCFIWIBFSA-N 1 0 210.237 -1.270 20 0 BAADRO COCC(=O)N(C)CC(=O)NCCC[NH3+] ZINC000571880220 387191118 /nfs/dbraw/zinc/19/11/18/387191118.db2.gz ZOGCQFRAYVKCEK-UHFFFAOYSA-N 1 0 217.269 -1.444 20 0 BAADRO O=C(CN1CN=NC1=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000571880477 387190763 /nfs/dbraw/zinc/19/07/63/387190763.db2.gz IHXLJBXTUNZEKH-SFYZADRCSA-N 1 0 237.263 -1.196 20 0 BAADRO COC(=O)[C@@H](O)CNC[C@H](O)C[N@H+](C)C1CC1 ZINC000571882109 387191970 /nfs/dbraw/zinc/19/19/70/387191970.db2.gz OKPHUMOWUOVGIV-UWVGGRQHSA-N 1 0 246.307 -1.435 20 0 BAADRO COC(=O)[C@@H](O)CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000571882110 387191934 /nfs/dbraw/zinc/19/19/34/387191934.db2.gz OKPHUMOWUOVGIV-ZJUUUORDSA-N 1 0 246.307 -1.435 20 0 BAADRO CC[C@H](COC)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000571896803 323501363 /nfs/dbraw/zinc/50/13/63/323501363.db2.gz LWGVCUHYHURWJA-SSDOTTSWSA-N 1 0 229.280 -1.384 20 0 BAADRO CC[C@@H](COC)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000571896805 323501442 /nfs/dbraw/zinc/50/14/42/323501442.db2.gz LWGVCUHYHURWJA-ZETCQYMHSA-N 1 0 229.280 -1.384 20 0 BAADRO [NH3+][C@H]1C[C@@H](C(=O)N2CCS(=O)(=O)CC2)C1 ZINC000571923640 387198736 /nfs/dbraw/zinc/19/87/36/387198736.db2.gz XCIILNLWPCOZDZ-OCAPTIKFSA-N 1 0 232.305 -1.019 20 0 BAADRO CC[N@H+](C)C[C@@H](O)CN(C)[C@@H]1COC[C@H]1O ZINC000571936975 387204347 /nfs/dbraw/zinc/20/43/47/387204347.db2.gz JUGAIYNDJJATHI-GMTAPVOTSA-N 1 0 232.324 -1.010 20 0 BAADRO CC[N@H+](C)C[C@H](O)CN(C)[C@@H]1COC[C@H]1O ZINC000571936978 387203672 /nfs/dbraw/zinc/20/36/72/387203672.db2.gz JUGAIYNDJJATHI-HBNTYKKESA-N 1 0 232.324 -1.010 20 0 BAADRO COC[C@H](O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000571996846 387217117 /nfs/dbraw/zinc/21/71/17/387217117.db2.gz HTAMLQIJCVQQEW-SSDOTTSWSA-N 1 0 202.254 -1.199 20 0 BAADRO COC[C@@H](O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000571996847 387217055 /nfs/dbraw/zinc/21/70/55/387217055.db2.gz HTAMLQIJCVQQEW-ZETCQYMHSA-N 1 0 202.254 -1.199 20 0 BAADRO C[NH2+]CCNC(=O)c1cnc(COC)nc1N ZINC000572035565 411900414 /nfs/dbraw/zinc/90/04/14/411900414.db2.gz CETYWIAUEGVVIV-UHFFFAOYSA-N 1 0 239.279 -0.846 20 0 BAADRO COC(=O)[C@H]1COCCN1C(=O)[C@@H](C[NH3+])OC ZINC000572112940 387238278 /nfs/dbraw/zinc/23/82/78/387238278.db2.gz BGPVJGGMWXASRB-HTQZYQBOSA-N 1 0 246.263 -1.640 20 0 BAADRO COC(=O)[C@@H]1COCCN1C(=O)[C@@H](C[NH3+])OC ZINC000572112944 323540635 /nfs/dbraw/zinc/54/06/35/323540635.db2.gz BGPVJGGMWXASRB-JGVFFNPUSA-N 1 0 246.263 -1.640 20 0 BAADRO COC(=O)[C@H]1COCCN1C(=O)[C@H](C[NH3+])OC ZINC000572112945 387237647 /nfs/dbraw/zinc/23/76/47/387237647.db2.gz BGPVJGGMWXASRB-SFYZADRCSA-N 1 0 246.263 -1.640 20 0 BAADRO COC(=O)[C@@H]1COCCN1C(=O)[C@H](C[NH3+])OC ZINC000572112946 323540648 /nfs/dbraw/zinc/54/06/48/323540648.db2.gz BGPVJGGMWXASRB-YUMQZZPRSA-N 1 0 246.263 -1.640 20 0 BAADRO [NH3+]CCN1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000572121889 323543358 /nfs/dbraw/zinc/54/33/58/323543358.db2.gz RXFHTSGIAKJKFO-SSDOTTSWSA-N 1 0 212.253 -2.412 20 0 BAADRO [NH3+]CCN1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000572121890 323543379 /nfs/dbraw/zinc/54/33/79/323543379.db2.gz RXFHTSGIAKJKFO-ZETCQYMHSA-N 1 0 212.253 -2.412 20 0 BAADRO [NH3+]CCN(CCO)C(=O)C(=O)NC1CCC1 ZINC000572136765 387248187 /nfs/dbraw/zinc/24/81/87/387248187.db2.gz LQUVTVPPQCKHTM-UHFFFAOYSA-N 1 0 229.280 -1.565 20 0 BAADRO C[NH2+][C@@H](C)C(=O)N1CCOC[C@@H]1C(=O)OC ZINC000572177834 323559337 /nfs/dbraw/zinc/55/93/37/323559337.db2.gz CRWFXQLJLYRGPE-JGVFFNPUSA-N 1 0 230.264 -1.005 20 0 BAADRO C[NH2+][C@@H](C)C(=O)N1CCOC[C@H]1C(=O)OC ZINC000572177836 323559271 /nfs/dbraw/zinc/55/92/71/323559271.db2.gz CRWFXQLJLYRGPE-YUMQZZPRSA-N 1 0 230.264 -1.005 20 0 BAADRO C[NH+](C)[C@H]1CN(c2nccn3nnnc23)C[C@@H]1O ZINC000572178886 387257916 /nfs/dbraw/zinc/25/79/16/387257916.db2.gz MBUGBXAMQGNVSU-YUMQZZPRSA-N 1 0 249.278 -1.370 20 0 BAADRO C[NH2+]CCCN(C)C(=O)Cn1ncn(C)c1=O ZINC000572241949 387286255 /nfs/dbraw/zinc/28/62/55/387286255.db2.gz QWQNPTIMYKHNEX-UHFFFAOYSA-N 1 0 241.295 -1.350 20 0 BAADRO CCNC(=O)CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000572255853 323579152 /nfs/dbraw/zinc/57/91/52/323579152.db2.gz XUTDZRQWJNMGQB-IUCAKERBSA-N 1 0 243.307 -1.354 20 0 BAADRO CCN(CCCO)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000572258785 387289747 /nfs/dbraw/zinc/28/97/47/387289747.db2.gz VYGKWVFBYZUGNC-VIFPVBQESA-N 1 0 243.307 -1.305 20 0 BAADRO Cn1cnn(CC(=O)NC[C@H]2CCC[NH2+]2)c1=O ZINC000572273569 323583859 /nfs/dbraw/zinc/58/38/59/323583859.db2.gz JIQSWOVLFJBHJO-MRVPVSSYSA-N 1 0 239.279 -1.550 20 0 BAADRO Cn1cnn(CC(=O)NC[C@@H]2CCC[NH2+]2)c1=O ZINC000572273570 387297299 /nfs/dbraw/zinc/29/72/99/387297299.db2.gz JIQSWOVLFJBHJO-QMMMGPOBSA-N 1 0 239.279 -1.550 20 0 BAADRO CO[C@@H]1COC[C@H]1[NH2+][C@@H]1CCNC1=O ZINC000572282018 359348573 /nfs/dbraw/zinc/34/85/73/359348573.db2.gz ZZNYQJCVXQAPRG-BWZBUEFSSA-N 1 0 200.238 -1.122 20 0 BAADRO CO[C@@H]1COC[C@H]1[NH2+][C@H]1CCNC1=O ZINC000572282021 359348889 /nfs/dbraw/zinc/34/88/89/359348889.db2.gz ZZNYQJCVXQAPRG-XLPZGREQSA-N 1 0 200.238 -1.122 20 0 BAADRO Nc1nccnc1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000572402407 387399835 /nfs/dbraw/zinc/39/98/35/387399835.db2.gz LRJGROFIAWEUTQ-SSDOTTSWSA-N 1 0 237.263 -1.223 20 0 BAADRO Nc1nccnc1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000572402408 323622685 /nfs/dbraw/zinc/62/26/85/323622685.db2.gz LRJGROFIAWEUTQ-ZETCQYMHSA-N 1 0 237.263 -1.223 20 0 BAADRO C[NH+](C)[C@H]1CN(CCN2CCOCC2)C[C@@H]1O ZINC000572421280 387417615 /nfs/dbraw/zinc/41/76/15/387417615.db2.gz ZLNKFHJTMAWQDY-RYUDHWBXSA-N 1 0 243.351 -1.075 20 0 BAADRO C[NH+](C)[C@H]1CN(CCOCCO)C[C@@H]1O ZINC000572494447 324132328 /nfs/dbraw/zinc/13/23/28/324132328.db2.gz WMFFXINSMBBGHR-UWVGGRQHSA-N 1 0 218.297 -1.398 20 0 BAADRO C[NH2+]CCSCC(=O)N1CCNC(=O)C1 ZINC000572518342 363077560 /nfs/dbraw/zinc/07/75/60/363077560.db2.gz NRBGCHBUXQOERK-UHFFFAOYSA-N 1 0 231.321 -1.103 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)N(C)C1CC([NH3+])C1 ZINC000572521405 324179746 /nfs/dbraw/zinc/17/97/46/324179746.db2.gz HRYSQTCSXFWFAN-JECWYVHBSA-N 1 0 249.336 -1.128 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)N(C)C1CC([NH3+])C1 ZINC000572521406 324179863 /nfs/dbraw/zinc/17/98/63/324179863.db2.gz HRYSQTCSXFWFAN-KKMMWDRVSA-N 1 0 249.336 -1.128 20 0 BAADRO CCS(=O)(=O)NCC(=O)N1CC[NH2+]C[C@H]1C ZINC000572600905 388360710 /nfs/dbraw/zinc/36/07/10/388360710.db2.gz ULUXCUMOOOWHSB-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO Cn1nnc(CN2C[C@H](O)[C@@H]([NH+](C)C)C2)n1 ZINC000572613630 322929597 /nfs/dbraw/zinc/92/95/97/322929597.db2.gz IUUMTLJNKWXXJE-YUMQZZPRSA-N 1 0 226.284 -1.683 20 0 BAADRO CNC(=O)[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CCO1 ZINC000572723171 388370592 /nfs/dbraw/zinc/37/05/92/388370592.db2.gz DTOQFZBUFRTGIS-DTWKUNHWSA-N 1 0 241.291 -1.288 20 0 BAADRO CNC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CCO1 ZINC000572723174 326407145 /nfs/dbraw/zinc/40/71/45/326407145.db2.gz DTOQFZBUFRTGIS-IUCAKERBSA-N 1 0 241.291 -1.288 20 0 BAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)CC[NH2+]1 ZINC000572759739 323057809 /nfs/dbraw/zinc/05/78/09/323057809.db2.gz PBSQZFDHWRGGRO-QMMMGPOBSA-N 1 0 239.279 -1.598 20 0 BAADRO [NH3+]C[C@@H](NC(=O)CN1CN=NC1=O)C1CC1 ZINC000572760479 388372816 /nfs/dbraw/zinc/37/28/16/388372816.db2.gz RPVRDZSRVYROAC-SSDOTTSWSA-N 1 0 225.252 -1.163 20 0 BAADRO [NH3+]C[C@H](NC(=O)CN1CN=NC1=O)C1CC1 ZINC000572760480 388373085 /nfs/dbraw/zinc/37/30/85/388373085.db2.gz RPVRDZSRVYROAC-ZETCQYMHSA-N 1 0 225.252 -1.163 20 0 BAADRO CCOC(=O)CN(CC(N)=O)C(=O)[C@H](C)C[NH3+] ZINC000572764901 388374870 /nfs/dbraw/zinc/37/48/70/388374870.db2.gz SVFXLLKTNVXCJK-SSDOTTSWSA-N 1 0 245.279 -1.542 20 0 BAADRO CCOC(=O)CN(CC(N)=O)C(=O)[C@@H](C)C[NH3+] ZINC000572764902 388374625 /nfs/dbraw/zinc/37/46/25/388374625.db2.gz SVFXLLKTNVXCJK-ZETCQYMHSA-N 1 0 245.279 -1.542 20 0 BAADRO O=C(NCC1CC1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000572843162 326414505 /nfs/dbraw/zinc/41/45/05/326414505.db2.gz WAYJOHGOZXQAJN-BRPSZJMVSA-N 1 0 223.276 -1.153 20 0 BAADRO CC(C)([NH3+])CNC(=O)CN1CN=NC1=O ZINC000572877540 326416502 /nfs/dbraw/zinc/41/65/02/326416502.db2.gz HUKOOKQBEUSXFO-UHFFFAOYSA-N 1 0 213.241 -1.163 20 0 BAADRO CCOC(=O)C[C@@H](CO)[NH2+]C[C@@H](O)COC ZINC000572880633 388382704 /nfs/dbraw/zinc/38/27/04/388382704.db2.gz GKWKXUVWWPOXHM-DTWKUNHWSA-N 1 0 235.280 -1.103 20 0 BAADRO CCOC(=O)C[C@H](CO)[NH2+]C[C@@H](O)COC ZINC000572880634 388383120 /nfs/dbraw/zinc/38/31/20/388383120.db2.gz GKWKXUVWWPOXHM-RKDXNWHRSA-N 1 0 235.280 -1.103 20 0 BAADRO OCC(CO)[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000572896600 388385513 /nfs/dbraw/zinc/38/55/13/388385513.db2.gz XTFBOLPEIWGESP-PHIMTYICSA-N 1 0 230.308 -1.208 20 0 BAADRO CC[C@@H]1CN(C(=O)C(=O)NC2C[NH2+]C2)CCO1 ZINC000572945420 388395389 /nfs/dbraw/zinc/39/53/89/388395389.db2.gz MBAUWCSJODIODR-SECBINFHSA-N 1 0 241.291 -1.288 20 0 BAADRO CC[C@H]1CN(C(=O)C(=O)NC2C[NH2+]C2)CCO1 ZINC000572945421 388395435 /nfs/dbraw/zinc/39/54/35/388395435.db2.gz MBAUWCSJODIODR-VIFPVBQESA-N 1 0 241.291 -1.288 20 0 BAADRO O=C(CN1CCNCC1=O)NC1CC[NH2+]CC1 ZINC000572958734 323036101 /nfs/dbraw/zinc/03/61/01/323036101.db2.gz GSJGEBIHWNNSGE-UHFFFAOYSA-N 1 0 240.307 -1.714 20 0 BAADRO O=C(COC1C[NH2+]C1)NCCCn1ccnn1 ZINC000572958920 326420991 /nfs/dbraw/zinc/42/09/91/326420991.db2.gz RKZFUGKMWKBMGG-UHFFFAOYSA-N 1 0 239.279 -1.227 20 0 BAADRO C[NH2+]CC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000572959009 323036216 /nfs/dbraw/zinc/03/62/16/323036216.db2.gz YASKKIIFVRZHEC-UHFFFAOYSA-N 1 0 225.252 -1.525 20 0 BAADRO COC[C@H](C)CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000572976014 326422448 /nfs/dbraw/zinc/42/24/48/326422448.db2.gz JKLZLDKUXQFIKC-BDAKNGLRSA-N 1 0 243.307 -1.137 20 0 BAADRO COC[C@@H](C)CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000572976015 326422449 /nfs/dbraw/zinc/42/24/49/326422449.db2.gz JKLZLDKUXQFIKC-IUCAKERBSA-N 1 0 243.307 -1.137 20 0 BAADRO C[NH2+][C@@H]1CC(=O)N(CCOCCOC)C1=O ZINC000572981055 388402473 /nfs/dbraw/zinc/40/24/73/388402473.db2.gz HZHDHAJKZUJKLH-MRVPVSSYSA-N 1 0 230.264 -1.004 20 0 BAADRO C[NH2+][C@H]1CC(=O)N(CCOCCOC)C1=O ZINC000572981056 326422696 /nfs/dbraw/zinc/42/26/96/326422696.db2.gz HZHDHAJKZUJKLH-QMMMGPOBSA-N 1 0 230.264 -1.004 20 0 BAADRO C[C@H](NC(=O)CN(C)C)C(=O)NCC[NH+](C)C ZINC000572984168 326422995 /nfs/dbraw/zinc/42/29/95/326422995.db2.gz RQNDGKHHOOGFSV-VIFPVBQESA-N 1 0 244.339 -1.270 20 0 BAADRO COCCN1CCN(C(=O)CC[NH3+])CC1=O ZINC000572998861 388404525 /nfs/dbraw/zinc/40/45/25/388404525.db2.gz XHWJCGJICBBPAL-UHFFFAOYSA-N 1 0 229.280 -1.348 20 0 BAADRO CN(C(=O)CN1CN=NC1=O)[C@@H]1CC[NH2+]C1 ZINC000572999426 326424043 /nfs/dbraw/zinc/42/40/43/326424043.db2.gz WMTCOCUNGQFQIB-SSDOTTSWSA-N 1 0 225.252 -1.196 20 0 BAADRO CN(C(=O)CN1CN=NC1=O)[C@H]1CC[NH2+]C1 ZINC000572999427 326424047 /nfs/dbraw/zinc/42/40/47/326424047.db2.gz WMTCOCUNGQFQIB-ZETCQYMHSA-N 1 0 225.252 -1.196 20 0 BAADRO CC[N@H+](C)C[C@H](O)CN(C)[C@@H](COC)C(N)=O ZINC000573016051 388406540 /nfs/dbraw/zinc/40/65/40/388406540.db2.gz GFZZIFQEBSLDQS-UWVGGRQHSA-N 1 0 247.339 -1.269 20 0 BAADRO CC[N@H+](C)C[C@@H](O)CN(C)[C@@H](COC)C(N)=O ZINC000573016052 388406492 /nfs/dbraw/zinc/40/64/92/388406492.db2.gz GFZZIFQEBSLDQS-ZJUUUORDSA-N 1 0 247.339 -1.269 20 0 BAADRO COC(=O)C[C@H]([NH3+])C(=O)N(C)C1CC(O)C1 ZINC000573088077 364784141 /nfs/dbraw/zinc/78/41/41/364784141.db2.gz DRZZLJXCFWLSNG-RRQHEKLDSA-N 1 0 230.264 -1.142 20 0 BAADRO N[C@H](C(=O)NC[C@@H]1C[NH2+]CCO1)C(F)(F)F ZINC000573119210 326430635 /nfs/dbraw/zinc/43/06/35/326430635.db2.gz HCPDQSIRPHOAJF-NTSWFWBYSA-N 1 0 241.213 -1.019 20 0 BAADRO N[C@H](C(=O)NC[C@H]1C[NH2+]CCO1)C(F)(F)F ZINC000573119211 326430633 /nfs/dbraw/zinc/43/06/33/326430633.db2.gz HCPDQSIRPHOAJF-PHDIDXHHSA-N 1 0 241.213 -1.019 20 0 BAADRO N[C@@H](C(=O)NC[C@H]1C[NH2+]CCO1)C(F)(F)F ZINC000573119212 388421607 /nfs/dbraw/zinc/42/16/07/388421607.db2.gz HCPDQSIRPHOAJF-RITPCOANSA-N 1 0 241.213 -1.019 20 0 BAADRO N[C@@H](C(=O)NC[C@@H]1C[NH2+]CCO1)C(F)(F)F ZINC000573119213 388422136 /nfs/dbraw/zinc/42/21/36/388422136.db2.gz HCPDQSIRPHOAJF-WDSKDSINSA-N 1 0 241.213 -1.019 20 0 BAADRO C[C@H](C[NH3+])CNC(=O)CN1CCNCC1=O ZINC000573119349 326430489 /nfs/dbraw/zinc/43/04/89/326430489.db2.gz PMJMKFLNDWVYMZ-MRVPVSSYSA-N 1 0 228.296 -1.871 20 0 BAADRO C[C@@H](C[NH3+])CNC(=O)CN1CCNCC1=O ZINC000573119350 388421173 /nfs/dbraw/zinc/42/11/73/388421173.db2.gz PMJMKFLNDWVYMZ-QMMMGPOBSA-N 1 0 228.296 -1.871 20 0 BAADRO C[NH2+]CCNC(=O)C(=O)N[C@H]1CO[C@H](C)C1 ZINC000573120667 326430902 /nfs/dbraw/zinc/43/09/02/326430902.db2.gz ZEHWZDPRCZXCKC-HTQZYQBOSA-N 1 0 229.280 -1.384 20 0 BAADRO C[NH2+]CCNC(=O)C(=O)N[C@H]1CO[C@@H](C)C1 ZINC000573120668 388421991 /nfs/dbraw/zinc/42/19/91/388421991.db2.gz ZEHWZDPRCZXCKC-JGVFFNPUSA-N 1 0 229.280 -1.384 20 0 BAADRO C[NH2+]CCNC(=O)C(=O)N[C@@H]1CO[C@H](C)C1 ZINC000573120669 388422161 /nfs/dbraw/zinc/42/21/61/388422161.db2.gz ZEHWZDPRCZXCKC-SFYZADRCSA-N 1 0 229.280 -1.384 20 0 BAADRO C[NH2+]CCNC(=O)C(=O)N[C@@H]1CO[C@@H](C)C1 ZINC000573120670 388422008 /nfs/dbraw/zinc/42/20/08/388422008.db2.gz ZEHWZDPRCZXCKC-YUMQZZPRSA-N 1 0 229.280 -1.384 20 0 BAADRO C[C@@]1(F)CNCCN(C(=O)Cn2cnnn2)C1 ZINC000573121668 388421938 /nfs/dbraw/zinc/42/19/38/388421938.db2.gz IMCNSIWDLUIHDD-SECBINFHSA-N 1 0 242.258 -1.167 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)N(C)CCN1CCOCC1 ZINC000573201896 326434757 /nfs/dbraw/zinc/43/47/57/326434757.db2.gz HDSXXLDQWIMWCS-JTQLQIEISA-N 1 0 245.323 -1.249 20 0 BAADRO CO[C@H](C[NH3+])C(=O)N(C)CCN1CCOCC1 ZINC000573201901 326434817 /nfs/dbraw/zinc/43/48/17/326434817.db2.gz HDSXXLDQWIMWCS-SNVBAGLBSA-N 1 0 245.323 -1.249 20 0 BAADRO CCC[C@@H](NC(=O)CNC(=O)C[NH3+])C(=O)OC ZINC000573204083 398212522 /nfs/dbraw/zinc/21/25/22/398212522.db2.gz GVDWWNKACMUDGD-SSDOTTSWSA-N 1 0 245.279 -1.481 20 0 BAADRO CCC[C@H](NC(=O)CNC(=O)C[NH3+])C(=O)OC ZINC000573204084 326435095 /nfs/dbraw/zinc/43/50/95/326435095.db2.gz GVDWWNKACMUDGD-ZETCQYMHSA-N 1 0 245.279 -1.481 20 0 BAADRO CN(CC(=O)N1CCNC(=O)C1)C1CC([NH3+])C1 ZINC000573207219 388432386 /nfs/dbraw/zinc/43/23/86/388432386.db2.gz AVCNFAQXCPANON-UHFFFAOYSA-N 1 0 240.307 -1.634 20 0 BAADRO Cn1c2ncn(C3C[NH2+]C3)c2c(=O)n(C)c1=O ZINC000573244023 322956273 /nfs/dbraw/zinc/95/62/73/322956273.db2.gz MSGGBKISYDPKFR-UHFFFAOYSA-N 1 0 235.247 -1.422 20 0 BAADRO CCS(=O)(=O)NCC(=O)N(C)CC[NH2+]C ZINC000573247016 326437633 /nfs/dbraw/zinc/43/76/33/326437633.db2.gz RQLDLHFXDWMXEE-UHFFFAOYSA-N 1 0 237.325 -1.397 20 0 BAADRO CCOC(=O)CN(CC(N)=O)C(=O)CCC[NH3+] ZINC000573251000 384371158 /nfs/dbraw/zinc/37/11/58/384371158.db2.gz OYCGYFXIPMAMEI-UHFFFAOYSA-N 1 0 245.279 -1.398 20 0 BAADRO COCC[N@H+](C)C[C@H](O)CN1CC(=O)N(C)C1 ZINC000573263200 388437376 /nfs/dbraw/zinc/43/73/76/388437376.db2.gz KFSRBYLPBQZZRU-JTQLQIEISA-N 1 0 245.323 -1.343 20 0 BAADRO COCC[N@H+](C)C[C@@H](O)CN1CC(=O)N(C)C1 ZINC000573263201 388437036 /nfs/dbraw/zinc/43/70/36/388437036.db2.gz KFSRBYLPBQZZRU-SNVBAGLBSA-N 1 0 245.323 -1.343 20 0 BAADRO C[C@@H]1CN(C(=O)COC2C[NH2+]C2)CC[S@]1=O ZINC000573321532 364797924 /nfs/dbraw/zinc/79/79/24/364797924.db2.gz PKVUFIDBPFQXES-VPTHRUTESA-N 1 0 246.332 -1.046 20 0 BAADRO C[C@H]1CN(C(=O)COC2C[NH2+]C2)CC[S@]1=O ZINC000573321533 364797953 /nfs/dbraw/zinc/79/79/53/364797953.db2.gz PKVUFIDBPFQXES-ZKANADHPSA-N 1 0 246.332 -1.046 20 0 BAADRO C[C@@H]1CN(C(=O)COC2C[NH2+]C2)CC[S@@]1=O ZINC000573321534 364798064 /nfs/dbraw/zinc/79/80/64/364798064.db2.gz PKVUFIDBPFQXES-BCTVWOGZSA-N 1 0 246.332 -1.046 20 0 BAADRO C[C@H]1CN(C(=O)COC2C[NH2+]C2)CC[S@@]1=O ZINC000573321535 364798192 /nfs/dbraw/zinc/79/81/92/364798192.db2.gz PKVUFIDBPFQXES-PWJLMRLQSA-N 1 0 246.332 -1.046 20 0 BAADRO CNC(=O)[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CCO1 ZINC000573321944 364798011 /nfs/dbraw/zinc/79/80/11/364798011.db2.gz DTOQFZBUFRTGIS-BDAKNGLRSA-N 1 0 241.291 -1.288 20 0 BAADRO CNC(=O)[C@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CCO1 ZINC000573321946 364798013 /nfs/dbraw/zinc/79/80/13/364798013.db2.gz DTOQFZBUFRTGIS-RKDXNWHRSA-N 1 0 241.291 -1.288 20 0 BAADRO C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)CO1 ZINC000573324579 364799264 /nfs/dbraw/zinc/79/92/64/364799264.db2.gz VDTJSHPWKYDIRV-DJLDLDEBSA-N 1 0 241.291 -1.160 20 0 BAADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)CO1 ZINC000573324580 364799165 /nfs/dbraw/zinc/79/91/65/364799165.db2.gz VDTJSHPWKYDIRV-HLTSFMKQSA-N 1 0 241.291 -1.160 20 0 BAADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)CO1 ZINC000573324581 364799834 /nfs/dbraw/zinc/79/98/34/364799834.db2.gz VDTJSHPWKYDIRV-IWSPIJDZSA-N 1 0 241.291 -1.160 20 0 BAADRO C[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)CO1 ZINC000573324582 364799696 /nfs/dbraw/zinc/79/96/96/364799696.db2.gz VDTJSHPWKYDIRV-YIZRAAEISA-N 1 0 241.291 -1.160 20 0 BAADRO CN1CCN(C(=O)NCC[NH3+])CC1=O ZINC000573331087 364802094 /nfs/dbraw/zinc/80/20/94/364802094.db2.gz LHYOCPKJRXDBPR-UHFFFAOYSA-N 1 0 200.242 -1.571 20 0 BAADRO CS(=O)(=O)N1CC[C@@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000573381977 364818571 /nfs/dbraw/zinc/81/85/71/364818571.db2.gz MXCDZBXXLRCIDE-PRJMDXOYSA-N 1 0 247.320 -1.516 20 0 BAADRO CS(=O)(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000573381978 364818235 /nfs/dbraw/zinc/81/82/35/364818235.db2.gz MXCDZBXXLRCIDE-RNJXMRFFSA-N 1 0 247.320 -1.516 20 0 BAADRO CN(C(=O)CNC(=O)C[NH3+])C1CC(O)C1 ZINC000573441083 364833514 /nfs/dbraw/zinc/83/35/14/364833514.db2.gz HTSGWLMDDYXOTC-UHFFFAOYSA-N 1 0 215.253 -1.957 20 0 BAADRO CC[NH+](CC)CC[C@H](CO)NS(N)(=O)=O ZINC000573459188 364841065 /nfs/dbraw/zinc/84/10/65/364841065.db2.gz VPTPPUBGXCNYMO-MRVPVSSYSA-N 1 0 239.341 -1.128 20 0 BAADRO CC[NH+](CC)CC[C@@H](CO)NS(N)(=O)=O ZINC000573459189 364841104 /nfs/dbraw/zinc/84/11/04/364841104.db2.gz VPTPPUBGXCNYMO-QMMMGPOBSA-N 1 0 239.341 -1.128 20 0 BAADRO C[NH+](C)CCN1C(=O)C[C@@H](NCC(N)=O)C1=O ZINC000573502685 364849435 /nfs/dbraw/zinc/84/94/35/364849435.db2.gz CELVXNGPFCGTKW-SSDOTTSWSA-N 1 0 242.279 -2.250 20 0 BAADRO C[NH+](C)CCN1C(=O)C[C@H](NCC(N)=O)C1=O ZINC000573502694 364849814 /nfs/dbraw/zinc/84/98/14/364849814.db2.gz CELVXNGPFCGTKW-ZETCQYMHSA-N 1 0 242.279 -2.250 20 0 BAADRO CNS(=O)(=O)CCC[NH+]1CC(C)(C(N)=O)C1 ZINC000573560710 364861847 /nfs/dbraw/zinc/86/18/47/364861847.db2.gz MHITWEZSHMUJHD-UHFFFAOYSA-N 1 0 249.336 -1.267 20 0 BAADRO [NH3+]CC(=O)NCC(=O)N1CCOC[C@@H]1C1CC1 ZINC000573561811 364861455 /nfs/dbraw/zinc/86/14/55/364861455.db2.gz KASVTSBILOMCNE-SECBINFHSA-N 1 0 241.291 -1.301 20 0 BAADRO [NH3+]CC(=O)NCC(=O)N1CCOC[C@H]1C1CC1 ZINC000573561815 364861703 /nfs/dbraw/zinc/86/17/03/364861703.db2.gz KASVTSBILOMCNE-VIFPVBQESA-N 1 0 241.291 -1.301 20 0 BAADRO C[NH2+][C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC000573562579 364862312 /nfs/dbraw/zinc/86/23/12/364862312.db2.gz QPLPGHUURRSEPG-SSDOTTSWSA-N 1 0 225.252 -1.196 20 0 BAADRO C[NH2+][C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC000573562580 364862109 /nfs/dbraw/zinc/86/21/09/364862109.db2.gz QPLPGHUURRSEPG-ZETCQYMHSA-N 1 0 225.252 -1.196 20 0 BAADRO C[C@H](NC(N)=O)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000573577921 364867456 /nfs/dbraw/zinc/86/74/56/364867456.db2.gz YIONFLHQZNENMP-FXQIFTODSA-N 1 0 244.295 -1.824 20 0 BAADRO CC1(C(=O)NCCN2C(=O)CNC2=O)C[NH2+]C1 ZINC000573594258 364870383 /nfs/dbraw/zinc/87/03/83/364870383.db2.gz LLNPNIGCMWRRTK-UHFFFAOYSA-N 1 0 240.263 -1.736 20 0 BAADRO C[C@@H](O)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000573624343 364878290 /nfs/dbraw/zinc/87/82/90/364878290.db2.gz PVXIAIALQNUBLK-CSMHCCOUSA-N 1 0 202.254 -1.500 20 0 BAADRO C[NH+](C)[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@@H]1O ZINC000573646000 364881317 /nfs/dbraw/zinc/88/13/17/364881317.db2.gz PLGHAKJZMLDGBX-CIUDSAMLSA-N 1 0 241.291 -1.602 20 0 BAADRO C[C@H](C[NH3+])N(C)C(=O)CS(=O)(=O)N(C)C ZINC000573681603 364890881 /nfs/dbraw/zinc/89/08/81/364890881.db2.gz LXYXRGRUFAZZIZ-SSDOTTSWSA-N 1 0 237.325 -1.317 20 0 BAADRO C[C@@H](C[NH3+])N(C)C(=O)CS(=O)(=O)N(C)C ZINC000573681604 364890886 /nfs/dbraw/zinc/89/08/86/364890886.db2.gz LXYXRGRUFAZZIZ-ZETCQYMHSA-N 1 0 237.325 -1.317 20 0 BAADRO C[C@@H]1CN(C(=O)COC2C[NH2+]C2)C[C@H]1C(N)=O ZINC000573724289 344501575 /nfs/dbraw/zinc/50/15/75/344501575.db2.gz BKFLHDALIBYJQN-VXNVDRBHSA-N 1 0 241.291 -1.445 20 0 BAADRO C[C@H](C[NH3+])NC(=O)N1CCN(C)C(=O)C1 ZINC000573731453 364904882 /nfs/dbraw/zinc/90/48/82/364904882.db2.gz FQMFGAQJEPWOOT-SSDOTTSWSA-N 1 0 214.269 -1.183 20 0 BAADRO CN(C(=O)C(=O)N[C@H]1CC[NH2+]C1)C1CC(O)C1 ZINC000573743296 364908063 /nfs/dbraw/zinc/90/80/63/364908063.db2.gz IKQXZFIGEGQYCI-UEJVZZJDSA-N 1 0 241.291 -1.554 20 0 BAADRO CCS(=O)(=O)NCC(=O)NCC[C@H](C)[NH3+] ZINC000573844214 364928402 /nfs/dbraw/zinc/92/84/02/364928402.db2.gz QTMFNFDVXIFFRV-ZETCQYMHSA-N 1 0 237.325 -1.221 20 0 BAADRO CCNC(=O)CC(=O)NCCN1CC[NH2+]CC1 ZINC000573848303 364929639 /nfs/dbraw/zinc/92/96/39/364929639.db2.gz YQHVJLSHBRITBF-UHFFFAOYSA-N 1 0 242.323 -1.466 20 0 BAADRO COC(=O)CN(C)C(=O)CCN1CC[NH2+]CC1 ZINC000573850475 364930860 /nfs/dbraw/zinc/93/08/60/364930860.db2.gz OQEXXNJNQXWARG-UHFFFAOYSA-N 1 0 243.307 -1.087 20 0 BAADRO COCCN1CCN(C(=O)[C@H]2CC[NH2+]2)CC1=O ZINC000573914007 364944302 /nfs/dbraw/zinc/94/43/02/364944302.db2.gz NUVPDFGNFFOCDZ-SECBINFHSA-N 1 0 241.291 -1.335 20 0 BAADRO CCOC(=O)C[C@H](CO)[NH2+]CCC(N)=O ZINC000573920874 364946570 /nfs/dbraw/zinc/94/65/70/364946570.db2.gz DQKBLLLVUBTNOG-SSDOTTSWSA-N 1 0 218.253 -1.235 20 0 BAADRO CCOC(=O)C[C@@H](CO)[NH2+]CCC(N)=O ZINC000573920883 364946645 /nfs/dbraw/zinc/94/66/45/364946645.db2.gz DQKBLLLVUBTNOG-ZETCQYMHSA-N 1 0 218.253 -1.235 20 0 BAADRO COC(=O)[C@H]1COCCN1C(=O)[C@@H](C)[NH3+] ZINC000573921689 344558661 /nfs/dbraw/zinc/55/86/61/344558661.db2.gz HOOGVCWTCBNKPV-RNFRBKRXSA-N 1 0 216.237 -1.266 20 0 BAADRO COC(=O)[C@@H]1COCCN1C(=O)[C@@H](C)[NH3+] ZINC000573921693 344558492 /nfs/dbraw/zinc/55/84/92/344558492.db2.gz HOOGVCWTCBNKPV-RQJHMYQMSA-N 1 0 216.237 -1.266 20 0 BAADRO O=C(C[NH2+]C(CO)CO)NCC1CCC1 ZINC000573930974 344564249 /nfs/dbraw/zinc/56/42/49/344564249.db2.gz HBOBFPSTPSDFLG-UHFFFAOYSA-N 1 0 216.281 -1.155 20 0 BAADRO COC(=O)[C@](C)(O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000573948676 364953828 /nfs/dbraw/zinc/95/38/28/364953828.db2.gz FPVGOMGRWIAPHS-GZMMTYOYSA-N 1 0 244.291 -1.022 20 0 BAADRO COC(=O)[C@@](C)(O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000573948686 364953848 /nfs/dbraw/zinc/95/38/48/364953848.db2.gz FPVGOMGRWIAPHS-KCJUWKMLSA-N 1 0 244.291 -1.022 20 0 BAADRO COC(=O)[C@@](C)(O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000573948688 364953634 /nfs/dbraw/zinc/95/36/34/364953634.db2.gz FPVGOMGRWIAPHS-KWQFWETISA-N 1 0 244.291 -1.022 20 0 BAADRO COC(=O)[C@](C)(O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000573948690 364953813 /nfs/dbraw/zinc/95/38/13/364953813.db2.gz FPVGOMGRWIAPHS-LDYMZIIASA-N 1 0 244.291 -1.022 20 0 BAADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CCNS(C)(=O)=O ZINC000573963940 364956231 /nfs/dbraw/zinc/95/62/31/364956231.db2.gz PDIQGWVGQGEXIC-YUMQZZPRSA-N 1 0 249.336 -1.126 20 0 BAADRO [NH3+][C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC000574041026 364974440 /nfs/dbraw/zinc/97/44/40/364974440.db2.gz VQIXOZVAJBFFME-VIFPVBQESA-N 1 0 213.281 -1.122 20 0 BAADRO CN(C)S(=O)(=O)CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000574078890 364983853 /nfs/dbraw/zinc/98/38/53/364983853.db2.gz AEAUHFBANLHTSX-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO CN(C)S(=O)(=O)CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000574078892 364983566 /nfs/dbraw/zinc/98/35/66/364983566.db2.gz AEAUHFBANLHTSX-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000574081904 364983488 /nfs/dbraw/zinc/98/34/88/364983488.db2.gz IKNHHUASBSHTGL-CSMHCCOUSA-N 1 0 249.336 -1.128 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000574081905 364983522 /nfs/dbraw/zinc/98/35/22/364983522.db2.gz IKNHHUASBSHTGL-FXQIFTODSA-N 1 0 249.336 -1.128 20 0 BAADRO C[NH2+][C@@H](C)C(=O)N[C@@H](COC)C(=O)OC ZINC000574099616 364987176 /nfs/dbraw/zinc/98/71/76/364987176.db2.gz GNQLDONKUFGYEX-BQBZGAKWSA-N 1 0 218.253 -1.102 20 0 BAADRO C[NH2+][C@@H](C)C(=O)N[C@H](COC)C(=O)OC ZINC000574099617 364980073 /nfs/dbraw/zinc/98/00/73/364980073.db2.gz GNQLDONKUFGYEX-NKWVEPMBSA-N 1 0 218.253 -1.102 20 0 BAADRO COCCN(CC(=O)OC)C(=O)[C@H]1CC[NH2+]1 ZINC000574150850 364996714 /nfs/dbraw/zinc/99/67/14/364996714.db2.gz OQFZMNNRIMLBDK-MRVPVSSYSA-N 1 0 230.264 -1.004 20 0 BAADRO C[C@H]1C[NH2+]CCN1C(=O)CN1CN=NC1=O ZINC000574155958 364997219 /nfs/dbraw/zinc/99/72/19/364997219.db2.gz BHHMLLILQFEXRI-ZETCQYMHSA-N 1 0 225.252 -1.196 20 0 BAADRO O=C(CCOC1C[NH2+]C1)NC1=NCC(=O)N1 ZINC000574199480 365007992 /nfs/dbraw/zinc/00/79/92/365007992.db2.gz DLPAABGLTYAEOW-UHFFFAOYSA-N 1 0 226.236 -2.033 20 0 BAADRO COCC(=O)N(C)CC(=O)NC[C@H](C)C[NH3+] ZINC000574201017 365009407 /nfs/dbraw/zinc/00/94/07/365009407.db2.gz ILPLYKYCMXWBNV-MRVPVSSYSA-N 1 0 231.296 -1.198 20 0 BAADRO COCC(=O)N(C)CC(=O)NC[C@@H](C)C[NH3+] ZINC000574201113 365009755 /nfs/dbraw/zinc/00/97/55/365009755.db2.gz ILPLYKYCMXWBNV-QMMMGPOBSA-N 1 0 231.296 -1.198 20 0 BAADRO CCS(=O)(=O)NCC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000574201659 365009787 /nfs/dbraw/zinc/00/97/87/365009787.db2.gz ZKPSQTZXJJIPKT-MRVPVSSYSA-N 1 0 249.336 -1.125 20 0 BAADRO CCOC(=O)CN(CC(N)=O)C(=O)CC[NH2+]C ZINC000574278830 365026200 /nfs/dbraw/zinc/02/62/00/365026200.db2.gz HAMRCJUYDKPCLB-UHFFFAOYSA-N 1 0 245.279 -1.527 20 0 BAADRO Cn1cnn(CC(=O)N[C@H]2CCC[NH2+]C2)c1=O ZINC000574320918 365036374 /nfs/dbraw/zinc/03/63/74/365036374.db2.gz NSBYLZJJCFVAGD-QMMMGPOBSA-N 1 0 239.279 -1.550 20 0 BAADRO CN(C)S(=O)(=O)CC(=O)NCC(C)(C)[NH3+] ZINC000574321392 365036249 /nfs/dbraw/zinc/03/62/49/365036249.db2.gz XUAGFPXUXLVPFO-UHFFFAOYSA-N 1 0 237.325 -1.269 20 0 BAADRO O=C(COC1C[NH2+]C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000574321483 365036330 /nfs/dbraw/zinc/03/63/30/365036330.db2.gz YARSYHKXTOJVDQ-DTORHVGOSA-N 1 0 225.292 -1.347 20 0 BAADRO CCN(C)C(=O)CC[NH2+]C(CO)CO ZINC000574336663 365039439 /nfs/dbraw/zinc/03/94/39/365039439.db2.gz HSIFNYAOISKNIM-UHFFFAOYSA-N 1 0 204.270 -1.202 20 0 BAADRO [NH3+]C[C@H]1CN(C(=O)CN2CCOCC2)CCO1 ZINC000574400431 365053535 /nfs/dbraw/zinc/05/35/35/365053535.db2.gz NLPMJTMJZOZQFF-JTQLQIEISA-N 1 0 243.307 -1.495 20 0 BAADRO [NH3+]C[C@@H]1CN(C(=O)CN2CCOCC2)CCO1 ZINC000574400432 365053881 /nfs/dbraw/zinc/05/38/81/365053881.db2.gz NLPMJTMJZOZQFF-SNVBAGLBSA-N 1 0 243.307 -1.495 20 0 BAADRO CCO[C@H](C)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000574511544 365077249 /nfs/dbraw/zinc/07/72/49/365077249.db2.gz FDDPQYDRMOKPMB-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO CCO[C@@H](C)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000574511545 365077380 /nfs/dbraw/zinc/07/73/80/365077380.db2.gz FDDPQYDRMOKPMB-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO COCC(COC)[NH2+]CCC(=O)NC(N)=O ZINC000574512056 365077226 /nfs/dbraw/zinc/07/72/26/365077226.db2.gz FQIALTDFFNSSCB-UHFFFAOYSA-N 1 0 233.268 -1.178 20 0 BAADRO CC1(C(N)=O)C[NH+](CCN2C(=O)CNC2=O)C1 ZINC000574515464 365078672 /nfs/dbraw/zinc/07/86/72/365078672.db2.gz QPOSZPWWPQJHSA-UHFFFAOYSA-N 1 0 240.263 -1.655 20 0 BAADRO CC1(C)NC(=O)N(CC[NH2+]C(CO)CO)C1=O ZINC000574529876 365085161 /nfs/dbraw/zinc/08/51/61/365085161.db2.gz LJOZKSALSHILAP-UHFFFAOYSA-N 1 0 245.279 -1.740 20 0 BAADRO Cn1cnn(CC(=O)NC(C)(C)CC[NH3+])c1=O ZINC000574565267 365090350 /nfs/dbraw/zinc/09/03/50/365090350.db2.gz NUHVPKWAZJVGDK-UHFFFAOYSA-N 1 0 241.295 -1.175 20 0 BAADRO COCC[NH2+]CCNC(=O)CN1CCOCC1 ZINC000574573522 365093753 /nfs/dbraw/zinc/09/37/53/365093753.db2.gz TYPRSSHISWMRDZ-UHFFFAOYSA-N 1 0 245.323 -1.329 20 0 BAADRO CNC(=O)CN(C)C[C@@H](O)C[N@H+](C)CCOC ZINC000574581326 365096746 /nfs/dbraw/zinc/09/67/46/365096746.db2.gz HZXWNSDQOAYTTF-JTQLQIEISA-N 1 0 247.339 -1.397 20 0 BAADRO CNC(=O)CN(C)C[C@H](O)C[N@H+](C)CCOC ZINC000574581327 365096897 /nfs/dbraw/zinc/09/68/97/365096897.db2.gz HZXWNSDQOAYTTF-SNVBAGLBSA-N 1 0 247.339 -1.397 20 0 BAADRO CN1C[C@H](C(=O)NC[C@@H]2C[NH2+]CCO2)CC1=O ZINC000574630715 365106327 /nfs/dbraw/zinc/10/63/27/365106327.db2.gz PIJDTYZWTVSCQT-BDAKNGLRSA-N 1 0 241.291 -1.431 20 0 BAADRO CN1C[C@@H](C(=O)NC[C@H]2C[NH2+]CCO2)CC1=O ZINC000574630716 365106031 /nfs/dbraw/zinc/10/60/31/365106031.db2.gz PIJDTYZWTVSCQT-DTWKUNHWSA-N 1 0 241.291 -1.431 20 0 BAADRO CN1C[C@@H](C(=O)NC[C@@H]2C[NH2+]CCO2)CC1=O ZINC000574630717 365105376 /nfs/dbraw/zinc/10/53/76/365105376.db2.gz PIJDTYZWTVSCQT-IUCAKERBSA-N 1 0 241.291 -1.431 20 0 BAADRO CN1C[C@H](C(=O)NC[C@H]2C[NH2+]CCO2)CC1=O ZINC000574630718 365106428 /nfs/dbraw/zinc/10/64/28/365106428.db2.gz PIJDTYZWTVSCQT-RKDXNWHRSA-N 1 0 241.291 -1.431 20 0 BAADRO C[C@H]1CN(C(=O)CCNS(C)(=O)=O)CC[NH2+]1 ZINC000574634982 365107477 /nfs/dbraw/zinc/10/74/77/365107477.db2.gz IAFGWNABARFZLK-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO O=C(C[NH2+]C[C@H]1CCCO1)NC1=NCC(=O)N1 ZINC000574689444 365120832 /nfs/dbraw/zinc/12/08/32/365120832.db2.gz GNYQSCAUZNYSMF-SSDOTTSWSA-N 1 0 240.263 -1.643 20 0 BAADRO O=C(C[NH2+]C[C@@H]1CCCO1)NC1=NCC(=O)N1 ZINC000574689449 365120737 /nfs/dbraw/zinc/12/07/37/365120737.db2.gz GNYQSCAUZNYSMF-ZETCQYMHSA-N 1 0 240.263 -1.643 20 0 BAADRO COC(=O)CN(C)C(=O)CC[NH2+]C(CO)CO ZINC000574700701 365124739 /nfs/dbraw/zinc/12/47/39/365124739.db2.gz HIONCHQRDPMFOI-UHFFFAOYSA-N 1 0 248.279 -2.049 20 0 BAADRO CCNC(=O)NC(=O)C[NH2+]C(CO)CO ZINC000574701152 344968719 /nfs/dbraw/zinc/96/87/19/344968719.db2.gz RPZIUTKSLYAORY-UHFFFAOYSA-N 1 0 219.241 -2.225 20 0 BAADRO CC[C@H]([NH3+])CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000574755155 365134774 /nfs/dbraw/zinc/13/47/74/365134774.db2.gz YGAAAUOCGKGFCX-LURJTMIESA-N 1 0 240.263 -1.047 20 0 BAADRO CC[C@@H]([NH3+])CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000574755159 365135687 /nfs/dbraw/zinc/13/56/87/365135687.db2.gz YGAAAUOCGKGFCX-ZCFIWIBFSA-N 1 0 240.263 -1.047 20 0 BAADRO CS(=O)(=O)NCCC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000574808458 365149167 /nfs/dbraw/zinc/14/91/67/365149167.db2.gz DCPUOTAFBRENJF-MRVPVSSYSA-N 1 0 249.336 -1.221 20 0 BAADRO CS(=O)(=O)NCCC(=O)NC[C@H]([NH3+])C1CC1 ZINC000574808462 365149118 /nfs/dbraw/zinc/14/91/18/365149118.db2.gz DCPUOTAFBRENJF-QMMMGPOBSA-N 1 0 249.336 -1.221 20 0 BAADRO CCS(=O)(=O)NCC(=O)N1CC[C@@H]([NH3+])C1 ZINC000574808724 365149164 /nfs/dbraw/zinc/14/91/64/365149164.db2.gz JJHSHKCMWGCKTP-SSDOTTSWSA-N 1 0 235.309 -1.515 20 0 BAADRO CC[C@@H]([NH3+])CNC(=O)CS(=O)(=O)N(C)C ZINC000574809391 365149115 /nfs/dbraw/zinc/14/91/15/365149115.db2.gz NFQBWQZLSPWZRC-SSDOTTSWSA-N 1 0 237.325 -1.269 20 0 BAADRO CC[C@H]([NH3+])CNC(=O)CS(=O)(=O)N(C)C ZINC000574809392 365149134 /nfs/dbraw/zinc/14/91/34/365149134.db2.gz NFQBWQZLSPWZRC-ZETCQYMHSA-N 1 0 237.325 -1.269 20 0 BAADRO CN1CC[C@H]([N@@H+]2CC[C@@H](CO)[C@@H](O)C2)C1=O ZINC000574864123 365162603 /nfs/dbraw/zinc/16/26/03/365162603.db2.gz RXVGFZUHUHCRSO-GUBZILKMSA-N 1 0 228.292 -1.108 20 0 BAADRO CN1CC[C@H]([N@@H+]2CC[C@H](CO)[C@H](O)C2)C1=O ZINC000574864132 365161754 /nfs/dbraw/zinc/16/17/54/365161754.db2.gz RXVGFZUHUHCRSO-KXUCPTDWSA-N 1 0 228.292 -1.108 20 0 BAADRO CN1CC[C@H]([N@@H+]2CC[C@@H](CO)[C@H](O)C2)C1=O ZINC000574864133 365162316 /nfs/dbraw/zinc/16/23/16/365162316.db2.gz RXVGFZUHUHCRSO-LPEHRKFASA-N 1 0 228.292 -1.108 20 0 BAADRO CN1CC[C@H]([N@@H+]2CC[C@H](CO)[C@@H](O)C2)C1=O ZINC000574864135 365162431 /nfs/dbraw/zinc/16/24/31/365162431.db2.gz RXVGFZUHUHCRSO-UTLUCORTSA-N 1 0 228.292 -1.108 20 0 BAADRO CN(C)S(=O)(=O)CC(=O)N[C@H](C[NH3+])C1CC1 ZINC000574874044 365163664 /nfs/dbraw/zinc/16/36/64/365163664.db2.gz GHWAEGBUXCCIDY-MRVPVSSYSA-N 1 0 249.336 -1.269 20 0 BAADRO CN(C)S(=O)(=O)CC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000574874046 365163657 /nfs/dbraw/zinc/16/36/57/365163657.db2.gz GHWAEGBUXCCIDY-QMMMGPOBSA-N 1 0 249.336 -1.269 20 0 BAADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Cn1ncn(C)c1=O ZINC000574911527 346410092 /nfs/dbraw/zinc/41/00/92/346410092.db2.gz HKXWJMGLTQHANY-YUMQZZPRSA-N 1 0 239.279 -1.470 20 0 BAADRO Cn1ccnc(N2C[C@H](O)[C@@H]([NH+](C)C)C2)c1=O ZINC000574970576 346476099 /nfs/dbraw/zinc/47/60/99/346476099.db2.gz KANKPLOFPBMMNN-IUCAKERBSA-N 1 0 238.291 -1.109 20 0 BAADRO CN(C)S(=O)(=O)CC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000574988007 359524326 /nfs/dbraw/zinc/52/43/26/359524326.db2.gz BLNDYKQPQJKIQA-MRVPVSSYSA-N 1 0 249.336 -1.269 20 0 BAADRO CN(C)S(=O)(=O)CC(=O)NC[C@H]([NH3+])C1CC1 ZINC000574988008 359524380 /nfs/dbraw/zinc/52/43/80/359524380.db2.gz BLNDYKQPQJKIQA-QMMMGPOBSA-N 1 0 249.336 -1.269 20 0 BAADRO CC[C@@H]([NH3+])CNC(=O)CN1CCNCC1=O ZINC000575045069 365175324 /nfs/dbraw/zinc/17/53/24/365175324.db2.gz OFFXZLQJDZWZPK-MRVPVSSYSA-N 1 0 228.296 -1.728 20 0 BAADRO CC[C@H]([NH3+])CNC(=O)CN1CCNCC1=O ZINC000575045070 365171161 /nfs/dbraw/zinc/17/11/61/365171161.db2.gz OFFXZLQJDZWZPK-QMMMGPOBSA-N 1 0 228.296 -1.728 20 0 BAADRO CCS(=O)(=O)NCC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000575058521 365180539 /nfs/dbraw/zinc/18/05/39/365180539.db2.gz GFNIGRDSIYWTQV-YUMQZZPRSA-N 1 0 249.336 -1.126 20 0 BAADRO CNc1ccc(NC(=O)CNC(=O)C[NH3+])cn1 ZINC000575060954 412311479 /nfs/dbraw/zinc/31/14/79/412311479.db2.gz SLUPHUCUCXXFRK-UHFFFAOYSA-N 1 0 237.263 -0.863 20 0 BAADRO CN(C(=O)C(=O)NC1C[NH2+]C1)C1CC(O)C1 ZINC000575160996 487845771 /nfs/dbraw/zinc/84/57/71/487845771.db2.gz NGAVAPBFFGONPU-UHFFFAOYSA-N 1 0 227.264 -1.944 20 0 BAADRO CN(CC[NH3+])C(=O)CN1CSCC1=O ZINC000575179735 365230305 /nfs/dbraw/zinc/23/03/05/365230305.db2.gz LINGEXBHPVWUSK-UHFFFAOYSA-N 1 0 217.294 -1.064 20 0 BAADRO CCCCn1nnnc1Cn1nnnc1C[NH3+] ZINC000575294387 365280522 /nfs/dbraw/zinc/28/05/22/365280522.db2.gz RDPOEWHKJROKBU-UHFFFAOYSA-N 1 0 237.271 -1.033 20 0 BAADRO C[NH+](C)C1CN(C(=O)C2(S(N)(=O)=O)CC2)C1 ZINC000575321979 365289377 /nfs/dbraw/zinc/28/93/77/365289377.db2.gz PQUAMFZINHVHFO-UHFFFAOYSA-N 1 0 247.320 -1.420 20 0 BAADRO CCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000575330908 365293985 /nfs/dbraw/zinc/29/39/85/365293985.db2.gz IEFYVBDURNVOCR-HTQZYQBOSA-N 1 0 226.280 -1.040 20 0 BAADRO CCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000575330914 365293648 /nfs/dbraw/zinc/29/36/48/365293648.db2.gz IEFYVBDURNVOCR-JGVFFNPUSA-N 1 0 226.280 -1.040 20 0 BAADRO CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000575330915 365293897 /nfs/dbraw/zinc/29/38/97/365293897.db2.gz IEFYVBDURNVOCR-SFYZADRCSA-N 1 0 226.280 -1.040 20 0 BAADRO CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000575330916 365292232 /nfs/dbraw/zinc/29/22/32/365292232.db2.gz IEFYVBDURNVOCR-YUMQZZPRSA-N 1 0 226.280 -1.040 20 0 BAADRO CN(C)C(=O)NCCNC(=O)COC1C[NH2+]C1 ZINC000575399595 365307912 /nfs/dbraw/zinc/30/79/12/365307912.db2.gz IXMSRRNLHTVDAQ-UHFFFAOYSA-N 1 0 244.295 -1.638 20 0 BAADRO NS(=O)(=O)N1CC([NH+]2CCCC2)C1 ZINC000575541105 387584976 /nfs/dbraw/zinc/58/49/76/387584976.db2.gz MGWJVVFRYFGRDK-UHFFFAOYSA-N 1 0 205.283 -1.030 20 0 BAADRO C[C@]12C[NH2+]C[C@H]1CN(S(N)(=O)=O)C2 ZINC000575548964 387648648 /nfs/dbraw/zinc/64/86/48/387648648.db2.gz GFZSEOLUYNNENX-NKWVEPMBSA-N 1 0 205.283 -1.269 20 0 BAADRO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)CC[NH3+] ZINC000575746291 365351268 /nfs/dbraw/zinc/35/12/68/365351268.db2.gz ZYSCWYVSPAFZKT-MRVPVSSYSA-N 1 0 249.336 -1.125 20 0 BAADRO CC[C@H]([NH3+])CNC(=O)CN1CN=NC1=O ZINC000575748814 365352859 /nfs/dbraw/zinc/35/28/59/365352859.db2.gz NUGPHLZXFWWCGJ-LURJTMIESA-N 1 0 213.241 -1.163 20 0 BAADRO CC[C@@H]([NH3+])CNC(=O)CN1CN=NC1=O ZINC000575748817 365352166 /nfs/dbraw/zinc/35/21/66/365352166.db2.gz NUGPHLZXFWWCGJ-ZCFIWIBFSA-N 1 0 213.241 -1.163 20 0 BAADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)CN1CCNCC1=O ZINC000575750179 365352881 /nfs/dbraw/zinc/35/28/81/365352881.db2.gz PCKZVTGPRFGNJY-BDAKNGLRSA-N 1 0 242.323 -1.340 20 0 BAADRO C[C@H](C[C@H](C)[NH3+])NC(=O)CN1CCNCC1=O ZINC000575750180 365352490 /nfs/dbraw/zinc/35/24/90/365352490.db2.gz PCKZVTGPRFGNJY-DTWKUNHWSA-N 1 0 242.323 -1.340 20 0 BAADRO C[C@H]([NH3+])C[C@H](C)NC(=O)CN1CCNCC1=O ZINC000575750181 365352511 /nfs/dbraw/zinc/35/25/11/365352511.db2.gz PCKZVTGPRFGNJY-IUCAKERBSA-N 1 0 242.323 -1.340 20 0 BAADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)CN1CCNCC1=O ZINC000575750182 365351974 /nfs/dbraw/zinc/35/19/74/365351974.db2.gz PCKZVTGPRFGNJY-RKDXNWHRSA-N 1 0 242.323 -1.340 20 0 BAADRO C[NH2+][C@@H](C)C(=O)N1CCO[C@@H](C(=O)OC)C1 ZINC000575760526 365356324 /nfs/dbraw/zinc/35/63/24/365356324.db2.gz QZKNMHZYTMHYSQ-JGVFFNPUSA-N 1 0 230.264 -1.005 20 0 BAADRO C[NH2+][C@@H](C)C(=O)N1CCO[C@H](C(=O)OC)C1 ZINC000575760528 365356828 /nfs/dbraw/zinc/35/68/28/365356828.db2.gz QZKNMHZYTMHYSQ-YUMQZZPRSA-N 1 0 230.264 -1.005 20 0 BAADRO CO[C@H](C[NH3+])C(=O)N(C)CCNC(=O)N(C)C ZINC000575800034 365366768 /nfs/dbraw/zinc/36/67/68/365366768.db2.gz CVSOFLQEWJRWHW-MRVPVSSYSA-N 1 0 246.311 -1.310 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)N(C)CCNC(=O)N(C)C ZINC000575800041 365366932 /nfs/dbraw/zinc/36/69/32/365366932.db2.gz CVSOFLQEWJRWHW-QMMMGPOBSA-N 1 0 246.311 -1.310 20 0 BAADRO CNC(=O)[C@@H]1CN(C(=O)[C@@H](C)[C@H](C)[NH3+])CCO1 ZINC000575801569 365366085 /nfs/dbraw/zinc/36/60/85/365366085.db2.gz ZSNITPXPZSZKDY-CIUDSAMLSA-N 1 0 243.307 -1.057 20 0 BAADRO CNC(=O)[C@@H]1CN(C(=O)[C@H](C)[C@@H](C)[NH3+])CCO1 ZINC000575801570 365366142 /nfs/dbraw/zinc/36/61/42/365366142.db2.gz ZSNITPXPZSZKDY-HLTSFMKQSA-N 1 0 243.307 -1.057 20 0 BAADRO CNC(=O)[C@@H]1CN(C(=O)[C@H](C)[C@H](C)[NH3+])CCO1 ZINC000575801571 365366453 /nfs/dbraw/zinc/36/64/53/365366453.db2.gz ZSNITPXPZSZKDY-VGMNWLOBSA-N 1 0 243.307 -1.057 20 0 BAADRO CNC(=O)[C@@H]1CN(C(=O)[C@@H](C)[C@@H](C)[NH3+])CCO1 ZINC000575801572 365366713 /nfs/dbraw/zinc/36/67/13/365366713.db2.gz ZSNITPXPZSZKDY-YIZRAAEISA-N 1 0 243.307 -1.057 20 0 BAADRO C[NH2+]CCN(C)C(=O)Cn1ncn(C)c1=O ZINC000575801776 365368547 /nfs/dbraw/zinc/36/85/47/365368547.db2.gz KOSSBMQCFHZOIK-UHFFFAOYSA-N 1 0 227.268 -1.740 20 0 BAADRO C[C@H](C(N)=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000575822578 365374661 /nfs/dbraw/zinc/37/46/61/365374661.db2.gz OOWZZMOIOHEXCP-CSMHCCOUSA-N 1 0 201.270 -1.533 20 0 BAADRO C[C@@H](C(N)=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000575822579 365374637 /nfs/dbraw/zinc/37/46/37/365374637.db2.gz OOWZZMOIOHEXCP-FXQIFTODSA-N 1 0 201.270 -1.533 20 0 BAADRO CN1CC[C@H](N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1=O ZINC000575822610 365375197 /nfs/dbraw/zinc/37/51/97/365375197.db2.gz TYFKCHACPAJLSX-GUBZILKMSA-N 1 0 227.308 -1.176 20 0 BAADRO CN1CC[C@@H](N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1=O ZINC000575822611 365375091 /nfs/dbraw/zinc/37/50/91/365375091.db2.gz TYFKCHACPAJLSX-UTLUCORTSA-N 1 0 227.308 -1.176 20 0 BAADRO C[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)CO1 ZINC000575988669 365436990 /nfs/dbraw/zinc/43/69/90/365436990.db2.gz VDTJSHPWKYDIRV-CIUDSAMLSA-N 1 0 241.291 -1.160 20 0 BAADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)CO1 ZINC000575988670 365437531 /nfs/dbraw/zinc/43/75/31/365437531.db2.gz VDTJSHPWKYDIRV-HRDYMLBCSA-N 1 0 241.291 -1.160 20 0 BAADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)CO1 ZINC000575988671 365437468 /nfs/dbraw/zinc/43/74/68/365437468.db2.gz VDTJSHPWKYDIRV-VGMNWLOBSA-N 1 0 241.291 -1.160 20 0 BAADRO C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)CO1 ZINC000575988672 365436835 /nfs/dbraw/zinc/43/68/35/365436835.db2.gz VDTJSHPWKYDIRV-XHNCKOQMSA-N 1 0 241.291 -1.160 20 0 BAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000575990214 365439110 /nfs/dbraw/zinc/43/91/10/365439110.db2.gz KCNJJPUPCCVNBK-BQBZGAKWSA-N 1 0 237.325 -1.222 20 0 BAADRO CNS(=O)(=O)CC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000575990215 365438854 /nfs/dbraw/zinc/43/88/54/365438854.db2.gz KCNJJPUPCCVNBK-NKWVEPMBSA-N 1 0 237.325 -1.222 20 0 BAADRO CNS(=O)(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000575990216 365439100 /nfs/dbraw/zinc/43/91/00/365439100.db2.gz KCNJJPUPCCVNBK-RNFRBKRXSA-N 1 0 237.325 -1.222 20 0 BAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000575990217 365439273 /nfs/dbraw/zinc/43/92/73/365439273.db2.gz KCNJJPUPCCVNBK-RQJHMYQMSA-N 1 0 237.325 -1.222 20 0 BAADRO COCC(=O)N(C)CC(=O)N(C)CC[NH3+] ZINC000576038751 365458642 /nfs/dbraw/zinc/45/86/42/365458642.db2.gz OWAHZTKUSRYBJF-UHFFFAOYSA-N 1 0 217.269 -1.492 20 0 BAADRO C[NH+](C)[C@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1O ZINC000576051353 365465766 /nfs/dbraw/zinc/46/57/66/365465766.db2.gz FTGNBVZGSMPXBV-IUCAKERBSA-N 1 0 243.307 -1.225 20 0 BAADRO CC(=O)N(C)CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000576075234 365474719 /nfs/dbraw/zinc/47/47/19/365474719.db2.gz IZGVXXYIBJBSOV-UWVGGRQHSA-N 1 0 243.307 -1.402 20 0 BAADRO O=C(CN1CN=NC1=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000576106959 365488381 /nfs/dbraw/zinc/48/83/81/365488381.db2.gz YWGRRKVSQBCEBR-BDINMYNLSA-N 1 0 223.236 -1.682 20 0 BAADRO CN(C)S(=O)(=O)CCC(=O)N1CC[C@@H]([NH3+])C1 ZINC000576108078 365489220 /nfs/dbraw/zinc/48/92/20/365489220.db2.gz LWPOHYFIYHVPPB-MRVPVSSYSA-N 1 0 249.336 -1.173 20 0 BAADRO CN(CC(=O)Nc1ccncc1)C[C@@H](O)C[NH3+] ZINC000576111692 365490488 /nfs/dbraw/zinc/49/04/88/365490488.db2.gz HSIODNLMTHXSHN-JTQLQIEISA-N 1 0 238.291 -1.307 20 0 BAADRO CN(CC(=O)Nc1ccncc1)C[C@H](O)C[NH3+] ZINC000576111693 365490233 /nfs/dbraw/zinc/49/02/33/365490233.db2.gz HSIODNLMTHXSHN-SNVBAGLBSA-N 1 0 238.291 -1.307 20 0 BAADRO CC[NH2+]CCNC(=O)CNS(=O)(=O)CC ZINC000576158587 365503296 /nfs/dbraw/zinc/50/32/96/365503296.db2.gz KNWAURSUJFDNOX-UHFFFAOYSA-N 1 0 237.325 -1.349 20 0 BAADRO COCCOCCS(=O)(=O)NCCC[NH3+] ZINC000576159117 365502698 /nfs/dbraw/zinc/50/26/98/365502698.db2.gz LULDNCQPZMSPHM-UHFFFAOYSA-N 1 0 240.325 -1.082 20 0 BAADRO CNC(=O)[C@H]1CN(C(=O)C[NH2+]C2CC2)CCO1 ZINC000576225287 365529134 /nfs/dbraw/zinc/52/91/34/365529134.db2.gz ANQKWUCUJXXZJL-SECBINFHSA-N 1 0 241.291 -1.288 20 0 BAADRO CNC(=O)[C@@H]1CN(C(=O)C[NH2+]C2CC2)CCO1 ZINC000576225288 365528992 /nfs/dbraw/zinc/52/89/92/365528992.db2.gz ANQKWUCUJXXZJL-VIFPVBQESA-N 1 0 241.291 -1.288 20 0 BAADRO [NH3+]CCCCNC(=O)CN1CCNCC1=O ZINC000576226001 365529189 /nfs/dbraw/zinc/52/91/89/365529189.db2.gz KXQZFUDAONBPCU-UHFFFAOYSA-N 1 0 228.296 -1.727 20 0 BAADRO [NH3+][C@@H]1CCN(C(=O)CN2CCNCC2=O)C1 ZINC000576278069 365548218 /nfs/dbraw/zinc/54/82/18/365548218.db2.gz FRIFAROYGUROML-MRVPVSSYSA-N 1 0 226.280 -2.022 20 0 BAADRO [NH3+]C1(CNC(=O)CN2CN=NC2=O)CCC1 ZINC000576343333 365570131 /nfs/dbraw/zinc/57/01/31/365570131.db2.gz NEXQGPPOFQHZOX-UHFFFAOYSA-N 1 0 225.252 -1.019 20 0 BAADRO C[C@H]1C[C@H](O)CN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000576361813 365578130 /nfs/dbraw/zinc/57/81/30/365578130.db2.gz YEOCKKNGHIVJDQ-CIUDSAMLSA-N 1 0 241.291 -1.554 20 0 BAADRO C[C@@H]1C[C@@H](O)CN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000576361815 365578570 /nfs/dbraw/zinc/57/85/70/365578570.db2.gz YEOCKKNGHIVJDQ-HRDYMLBCSA-N 1 0 241.291 -1.554 20 0 BAADRO C[C@@H]1C[C@H](O)CN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000576361817 365578721 /nfs/dbraw/zinc/57/87/21/365578721.db2.gz YEOCKKNGHIVJDQ-VGMNWLOBSA-N 1 0 241.291 -1.554 20 0 BAADRO C[C@H]1C[C@@H](O)CN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000576361820 365578160 /nfs/dbraw/zinc/57/81/60/365578160.db2.gz YEOCKKNGHIVJDQ-XHNCKOQMSA-N 1 0 241.291 -1.554 20 0 BAADRO O=C1CCCN1CCC[NH2+]C(CO)CO ZINC000576407989 365587949 /nfs/dbraw/zinc/58/79/49/365587949.db2.gz AVHARHPODHXITN-UHFFFAOYSA-N 1 0 216.281 -1.058 20 0 BAADRO CN(C(=O)Cn1ncn(C)c1=O)[C@@H]1CC[NH2+]C1 ZINC000576457635 365601387 /nfs/dbraw/zinc/60/13/87/365601387.db2.gz FKYNCWHRKYNYOE-MRVPVSSYSA-N 1 0 239.279 -1.598 20 0 BAADRO CN(C(=O)Cn1ncn(C)c1=O)[C@H]1CC[NH2+]C1 ZINC000576457651 365601085 /nfs/dbraw/zinc/60/10/85/365601085.db2.gz FKYNCWHRKYNYOE-QMMMGPOBSA-N 1 0 239.279 -1.598 20 0 BAADRO O=C(CN1CN=NC1=O)NC[C@H]1CCC[NH2+]1 ZINC000576463013 365602518 /nfs/dbraw/zinc/60/25/18/365602518.db2.gz HMNPBMHMDIAPCE-SSDOTTSWSA-N 1 0 225.252 -1.148 20 0 BAADRO O=C(CN1CN=NC1=O)NC[C@@H]1CCC[NH2+]1 ZINC000576463018 365602398 /nfs/dbraw/zinc/60/23/98/365602398.db2.gz HMNPBMHMDIAPCE-ZETCQYMHSA-N 1 0 225.252 -1.148 20 0 BAADRO C[NH2+]CCC(=O)N1CCOC[C@@H]1C(=O)OC ZINC000576521633 365617431 /nfs/dbraw/zinc/61/74/31/365617431.db2.gz VNHDEECBHAZNPG-MRVPVSSYSA-N 1 0 230.264 -1.004 20 0 BAADRO C[NH2+]CCC(=O)N1CCOC[C@H]1C(=O)OC ZINC000576521638 365617314 /nfs/dbraw/zinc/61/73/14/365617314.db2.gz VNHDEECBHAZNPG-QMMMGPOBSA-N 1 0 230.264 -1.004 20 0 BAADRO CC[C@@H]1C[C@H]1NC(=O)C(=O)NC1C[NH2+]C1 ZINC000576569121 365626113 /nfs/dbraw/zinc/62/61/13/365626113.db2.gz PJZKOVUERCSEHL-HTRCEHHLSA-N 1 0 211.265 -1.011 20 0 BAADRO C[NH2+]CCCN1CCNC(=O)[C@H]1CC(=O)OC ZINC000576585004 365632055 /nfs/dbraw/zinc/63/20/55/365632055.db2.gz XOMSTAXJIZXLPU-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO C[NH2+]CCCN1CCNC(=O)[C@@H]1CC(=O)OC ZINC000576585005 365632322 /nfs/dbraw/zinc/63/23/22/365632322.db2.gz XOMSTAXJIZXLPU-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1COC[C@H]1OC ZINC000576633597 365643644 /nfs/dbraw/zinc/64/36/44/365643644.db2.gz LVYDROWPLZSLBR-BWZBUEFSSA-N 1 0 245.279 -1.166 20 0 BAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1COC[C@H]1OC ZINC000576633598 365643683 /nfs/dbraw/zinc/64/36/83/365643683.db2.gz LVYDROWPLZSLBR-XLPZGREQSA-N 1 0 245.279 -1.166 20 0 BAADRO Cn1[nH]cnc1=NC(=O)CCOC1C[NH2+]C1 ZINC000576634768 365644022 /nfs/dbraw/zinc/64/40/22/365644022.db2.gz GTNSOBRMNQRMOO-UHFFFAOYSA-N 1 0 225.252 -1.446 20 0 BAADRO COCC(=O)N(C)CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000576635260 365645227 /nfs/dbraw/zinc/64/52/27/365645227.db2.gz MVONKFXYLTZEKT-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO C[C@@H]1C(=O)NCCCN1C(=O)COC1C[NH2+]C1 ZINC000576637958 365646021 /nfs/dbraw/zinc/64/60/21/365646021.db2.gz MILANTPRZVSIAH-MRVPVSSYSA-N 1 0 241.291 -1.288 20 0 BAADRO C[C@H]1C(=O)NCCCN1C(=O)COC1C[NH2+]C1 ZINC000576637959 365646115 /nfs/dbraw/zinc/64/61/15/365646115.db2.gz MILANTPRZVSIAH-QMMMGPOBSA-N 1 0 241.291 -1.288 20 0 BAADRO COCC[NH2+][C@@H]1CC(=O)N(CCOC)C1=O ZINC000576645346 365648806 /nfs/dbraw/zinc/64/88/06/365648806.db2.gz YZIUWSWTWXAUOW-MRVPVSSYSA-N 1 0 230.264 -1.004 20 0 BAADRO COCC[NH2+][C@H]1CC(=O)N(CCOC)C1=O ZINC000576645354 365649040 /nfs/dbraw/zinc/64/90/40/365649040.db2.gz YZIUWSWTWXAUOW-QMMMGPOBSA-N 1 0 230.264 -1.004 20 0 BAADRO CN(C)S(=O)(=O)CC(=O)N(C)C1CC([NH3+])C1 ZINC000576701570 365663247 /nfs/dbraw/zinc/66/32/47/365663247.db2.gz IWZHQKCCENJCAW-UHFFFAOYSA-N 1 0 249.336 -1.174 20 0 BAADRO NC(=O)NC(=O)CC[NH2+][C@H]1C[C@@H](O)C1 ZINC000576703299 365664815 /nfs/dbraw/zinc/66/48/15/365664815.db2.gz FHEHDONDFFECPS-OLQVQODUSA-N 1 0 201.226 -1.316 20 0 BAADRO CN1C[C@H](NC(=O)N[C@H]2CC[NH2+]C2)CC1=O ZINC000576719048 365670786 /nfs/dbraw/zinc/67/07/86/365670786.db2.gz NTGMMPIDFZLCLS-JGVFFNPUSA-N 1 0 226.280 -1.122 20 0 BAADRO CN1C[C@@H](NC(=O)N[C@H]2CC[NH2+]C2)CC1=O ZINC000576719049 365670731 /nfs/dbraw/zinc/67/07/31/365670731.db2.gz NTGMMPIDFZLCLS-YUMQZZPRSA-N 1 0 226.280 -1.122 20 0 BAADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NC2CCC2)CCO1 ZINC000576719430 365670693 /nfs/dbraw/zinc/67/06/93/365670693.db2.gz XHEXXFPJLXVHAN-SECBINFHSA-N 1 0 241.291 -1.159 20 0 BAADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NC2CCC2)CCO1 ZINC000576719431 365670601 /nfs/dbraw/zinc/67/06/01/365670601.db2.gz XHEXXFPJLXVHAN-VIFPVBQESA-N 1 0 241.291 -1.159 20 0 BAADRO [NH3+]CC(=O)NCC(=O)Nc1cc(C2CC2)[nH]n1 ZINC000576750619 412297671 /nfs/dbraw/zinc/29/76/71/412297671.db2.gz GRDDQTXGEWRLAS-UHFFFAOYSA-N 1 0 237.263 -0.700 20 0 BAADRO CNC(=O)[C@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000576756889 365678043 /nfs/dbraw/zinc/67/80/43/365678043.db2.gz SGMIRTYOEHULOW-HRDYMLBCSA-N 1 0 241.291 -1.303 20 0 BAADRO CNC(=O)[C@@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000576756890 365673531 /nfs/dbraw/zinc/67/35/31/365673531.db2.gz SGMIRTYOEHULOW-YIZRAAEISA-N 1 0 241.291 -1.303 20 0 BAADRO COCCC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000576836728 365701064 /nfs/dbraw/zinc/70/10/64/365701064.db2.gz AIJMKRGRQHIDHI-BDAKNGLRSA-N 1 0 241.291 -1.207 20 0 BAADRO COCCC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000576836731 365700641 /nfs/dbraw/zinc/70/06/41/365700641.db2.gz AIJMKRGRQHIDHI-DTWKUNHWSA-N 1 0 241.291 -1.207 20 0 BAADRO COCCC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000576836732 365700441 /nfs/dbraw/zinc/70/04/41/365700441.db2.gz AIJMKRGRQHIDHI-IUCAKERBSA-N 1 0 241.291 -1.207 20 0 BAADRO COCCC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000576836734 365701204 /nfs/dbraw/zinc/70/12/04/365701204.db2.gz AIJMKRGRQHIDHI-RKDXNWHRSA-N 1 0 241.291 -1.207 20 0 BAADRO COCC[N@H+](C)C[C@@H](O)Cn1c(=O)ncn1C ZINC000576836823 365701103 /nfs/dbraw/zinc/70/11/03/365701103.db2.gz FWFGCTTZUHOXDN-SECBINFHSA-N 1 0 244.295 -1.479 20 0 BAADRO COCC[N@H+](C)C[C@H](O)Cn1c(=O)ncn1C ZINC000576836826 365700667 /nfs/dbraw/zinc/70/06/67/365700667.db2.gz FWFGCTTZUHOXDN-VIFPVBQESA-N 1 0 244.295 -1.479 20 0 BAADRO COCC[NH2+]CCNC(=O)C1(C)C[NH2+]C1 ZINC000576871284 365708552 /nfs/dbraw/zinc/70/85/52/365708552.db2.gz ABQREFSPOMALGO-UHFFFAOYSA-N 1 0 215.297 -1.052 20 0 BAADRO COCC(=O)N(C)CC(=O)N1CC[C@@H]([NH3+])C1 ZINC000576872010 365708422 /nfs/dbraw/zinc/70/84/22/365708422.db2.gz MVHQGVTVURJRLV-MRVPVSSYSA-N 1 0 229.280 -1.349 20 0 BAADRO O=C(NC1C[NH2+]C1)C(=O)N1CCO[C@H](CF)C1 ZINC000576929067 365724299 /nfs/dbraw/zinc/72/42/99/365724299.db2.gz AHEUDJZULWWEEN-MRVPVSSYSA-N 1 0 245.254 -1.729 20 0 BAADRO O=C(NC1C[NH2+]C1)C(=O)N1CCO[C@@H](CF)C1 ZINC000576929068 365724333 /nfs/dbraw/zinc/72/43/33/365724333.db2.gz AHEUDJZULWWEEN-QMMMGPOBSA-N 1 0 245.254 -1.729 20 0 BAADRO C[NH2+]CCCNC(=O)CS(=O)(=O)N(C)C ZINC000576941327 365726508 /nfs/dbraw/zinc/72/65/08/365726508.db2.gz CATJUDHZEWBNID-UHFFFAOYSA-N 1 0 237.325 -1.397 20 0 BAADRO COCCCNC(=O)CN(CC[NH3+])CCO ZINC000576943686 365728342 /nfs/dbraw/zinc/72/83/42/365728342.db2.gz RGRFBSNUUCAJSS-UHFFFAOYSA-N 1 0 233.312 -1.608 20 0 BAADRO CN(CC[NH+](C)C)C(=O)C1(S(N)(=O)=O)CC1 ZINC000576948088 365729197 /nfs/dbraw/zinc/72/91/97/365729197.db2.gz LJMBRYQIEOIESG-UHFFFAOYSA-N 1 0 249.336 -1.173 20 0 BAADRO C[C@]1(C(=O)N2CCO[C@H](C(N)=O)C2)CCC[NH2+]1 ZINC000576988581 365744448 /nfs/dbraw/zinc/74/44/48/365744448.db2.gz MDBVDQIKHWHPCR-GZMMTYOYSA-N 1 0 241.291 -1.159 20 0 BAADRO C[C@@]1(C(=O)N2CCO[C@@H](C(N)=O)C2)CCC[NH2+]1 ZINC000576988586 365745955 /nfs/dbraw/zinc/74/59/55/365745955.db2.gz MDBVDQIKHWHPCR-KCJUWKMLSA-N 1 0 241.291 -1.159 20 0 BAADRO C[C@@]1(C(=O)N2CCO[C@H](C(N)=O)C2)CCC[NH2+]1 ZINC000576988587 365745473 /nfs/dbraw/zinc/74/54/73/365745473.db2.gz MDBVDQIKHWHPCR-KWQFWETISA-N 1 0 241.291 -1.159 20 0 BAADRO C[C@]1(C(=O)N2CCO[C@@H](C(N)=O)C2)CCC[NH2+]1 ZINC000576988588 365745787 /nfs/dbraw/zinc/74/57/87/365745787.db2.gz MDBVDQIKHWHPCR-LDYMZIIASA-N 1 0 241.291 -1.159 20 0 BAADRO CN(C)S(=O)(=O)CC(=O)N1CCC[NH2+]CC1 ZINC000577060105 365796245 /nfs/dbraw/zinc/79/62/45/365796245.db2.gz JMHMVUGNIDIVEN-UHFFFAOYSA-N 1 0 249.336 -1.300 20 0 BAADRO CS(=O)(=O)NCCC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000577061494 365799301 /nfs/dbraw/zinc/79/93/01/365799301.db2.gz SHEHUADCCFIAGF-QMSLJYSESA-N 1 0 247.320 -1.740 20 0 BAADRO CC(C)([NH3+])C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000577104299 365817333 /nfs/dbraw/zinc/81/73/33/365817333.db2.gz SOAIYISSZUVIHQ-UHFFFAOYSA-N 1 0 239.279 -1.007 20 0 BAADRO COC(=O)C1(NC(=O)[C@H](C[NH3+])OC)CC1 ZINC000577215715 365884575 /nfs/dbraw/zinc/88/45/75/365884575.db2.gz KMVIPALUDVREIN-LURJTMIESA-N 1 0 216.237 -1.218 20 0 BAADRO COC(=O)C1(NC(=O)[C@@H](C[NH3+])OC)CC1 ZINC000577215716 365885915 /nfs/dbraw/zinc/88/59/15/365885915.db2.gz KMVIPALUDVREIN-ZCFIWIBFSA-N 1 0 216.237 -1.218 20 0 BAADRO CCN(C)C(=O)C[NH2+]CCC(=O)NC(N)=O ZINC000577216477 365885064 /nfs/dbraw/zinc/88/50/64/365885064.db2.gz OYQOYMLPZVAJAD-UHFFFAOYSA-N 1 0 230.268 -1.361 20 0 BAADRO COC(=O)C[C@H]([NH3+])C(=O)NCCn1cccn1 ZINC000577218716 365886577 /nfs/dbraw/zinc/88/65/77/365886577.db2.gz HPJBGQFCRLCGCX-QMMMGPOBSA-N 1 0 240.263 -1.110 20 0 BAADRO CNC(=O)[C@@H]1CN(C(=O)[C@H]([NH3+])C(C)C)CCO1 ZINC000577219569 365886748 /nfs/dbraw/zinc/88/67/48/365886748.db2.gz NLBXCQCGAIGMAL-DTWKUNHWSA-N 1 0 243.307 -1.057 20 0 BAADRO CNC(=O)[C@H]1CN(C(=O)[C@H]([NH3+])C(C)C)CCO1 ZINC000577219570 365886545 /nfs/dbraw/zinc/88/65/45/365886545.db2.gz NLBXCQCGAIGMAL-RKDXNWHRSA-N 1 0 243.307 -1.057 20 0 BAADRO C[C@@H]1C[NH2+]CCN1C(=O)CS(=O)(=O)N(C)C ZINC000577219924 365887530 /nfs/dbraw/zinc/88/75/30/365887530.db2.gz MUZGACCCAUDIEJ-MRVPVSSYSA-N 1 0 249.336 -1.302 20 0 BAADRO CC[C@@H]([NH3+])CNC(=O)CNS(=O)(=O)CC ZINC000577220760 365887767 /nfs/dbraw/zinc/88/77/67/365887767.db2.gz OGMKUIGPWMEGOP-SSDOTTSWSA-N 1 0 237.325 -1.221 20 0 BAADRO CC[C@H]([NH3+])CNC(=O)CNS(=O)(=O)CC ZINC000577220761 365888236 /nfs/dbraw/zinc/88/82/36/365888236.db2.gz OGMKUIGPWMEGOP-ZETCQYMHSA-N 1 0 237.325 -1.221 20 0 BAADRO CC[C@H](O)C[NH2+]CCN1CCNC(=O)C1 ZINC000577276168 365913140 /nfs/dbraw/zinc/91/31/40/365913140.db2.gz UVYQSTHTBKOAQM-VIFPVBQESA-N 1 0 215.297 -1.221 20 0 BAADRO CCS(=O)(=O)NCC(=O)NCC1([NH3+])CCC1 ZINC000577278810 365914617 /nfs/dbraw/zinc/91/46/17/365914617.db2.gz RZHLDLQTQHDOGI-UHFFFAOYSA-N 1 0 249.336 -1.077 20 0 BAADRO C[C@@H](C[NH3+])N(C)C(=O)CN1CN=NC1=O ZINC000577279119 365914181 /nfs/dbraw/zinc/91/41/81/365914181.db2.gz YQYGANURENCPAI-LURJTMIESA-N 1 0 213.241 -1.211 20 0 BAADRO C[C@H](C[NH3+])N(C)C(=O)CN1CN=NC1=O ZINC000577279120 365914756 /nfs/dbraw/zinc/91/47/56/365914756.db2.gz YQYGANURENCPAI-ZCFIWIBFSA-N 1 0 213.241 -1.211 20 0 BAADRO C[C@@H](NC(=O)CO)C(=O)NCC[NH+](C)C ZINC000577296227 365922182 /nfs/dbraw/zinc/92/21/82/365922182.db2.gz YWWBPKOIDWQNAT-SSDOTTSWSA-N 1 0 217.269 -1.839 20 0 BAADRO C[C@H](NC(=O)CO)C(=O)NCC[NH+](C)C ZINC000577296228 365921695 /nfs/dbraw/zinc/92/16/95/365921695.db2.gz YWWBPKOIDWQNAT-ZETCQYMHSA-N 1 0 217.269 -1.839 20 0 BAADRO CN(C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1COC[C@H]1O ZINC000577296588 365922451 /nfs/dbraw/zinc/92/24/51/365922451.db2.gz GRKTURRREKQWKA-DJLDLDEBSA-N 1 0 229.280 -1.251 20 0 BAADRO COC[C@H]([NH3+])C(=O)NC1(C(=O)OC)CC1 ZINC000577374986 365937257 /nfs/dbraw/zinc/93/72/57/365937257.db2.gz OKVUSJRWGYLWHI-LURJTMIESA-N 1 0 216.237 -1.218 20 0 BAADRO COC[C@@H]([NH3+])C(=O)NC1(C(=O)OC)CC1 ZINC000577375006 365937985 /nfs/dbraw/zinc/93/79/85/365937985.db2.gz OKVUSJRWGYLWHI-ZCFIWIBFSA-N 1 0 216.237 -1.218 20 0 BAADRO CN(CCOCCO)C(=O)N[C@H]1CC[NH2+]C1 ZINC000577389746 365942925 /nfs/dbraw/zinc/94/29/25/365942925.db2.gz PDZTVQJDTLJVML-VIFPVBQESA-N 1 0 231.296 -1.001 20 0 BAADRO C[C@H](CC[NH3+])NC(=O)Cn1ncn(C)c1=O ZINC000577394204 365944356 /nfs/dbraw/zinc/94/43/56/365944356.db2.gz VBZQTZMSLHYDKG-SSDOTTSWSA-N 1 0 227.268 -1.565 20 0 BAADRO C[C@@H](CC[NH3+])NC(=O)Cn1ncn(C)c1=O ZINC000577394205 365944210 /nfs/dbraw/zinc/94/42/10/365944210.db2.gz VBZQTZMSLHYDKG-ZETCQYMHSA-N 1 0 227.268 -1.565 20 0 BAADRO [NH3+]CCOCCN1CCN2C(=O)N=NC2C1 ZINC000577396854 365945764 /nfs/dbraw/zinc/94/57/64/365945764.db2.gz IYLBEJZADCBIOR-UHFFFAOYSA-N 1 0 227.268 -1.225 20 0 BAADRO COC(=O)CN1CC[C@H](CO)[C@H](O)C1 ZINC000577457564 365954432 /nfs/dbraw/zinc/95/44/32/365954432.db2.gz IRGWXVHISYDARD-HTQZYQBOSA-N 1 0 203.238 -1.166 20 0 BAADRO COC(=O)CN1CC[C@@H](CO)[C@H](O)C1 ZINC000577457566 365954180 /nfs/dbraw/zinc/95/41/80/365954180.db2.gz IRGWXVHISYDARD-JGVFFNPUSA-N 1 0 203.238 -1.166 20 0 BAADRO COC(=O)CN1CC[C@H](CO)[C@@H](O)C1 ZINC000577457567 365954419 /nfs/dbraw/zinc/95/44/19/365954419.db2.gz IRGWXVHISYDARD-SFYZADRCSA-N 1 0 203.238 -1.166 20 0 BAADRO COC(=O)CN1CC[C@@H](CO)[C@@H](O)C1 ZINC000577457568 365954517 /nfs/dbraw/zinc/95/45/17/365954517.db2.gz IRGWXVHISYDARD-YUMQZZPRSA-N 1 0 203.238 -1.166 20 0 BAADRO [NH3+][C@H](CNC(=O)CN1CN=NC1=O)C1CC1 ZINC000577491724 365966473 /nfs/dbraw/zinc/96/64/73/365966473.db2.gz IQEAXHJBEOPRMW-SSDOTTSWSA-N 1 0 225.252 -1.163 20 0 BAADRO [NH3+][C@@H](CNC(=O)CN1CN=NC1=O)C1CC1 ZINC000577491725 365967317 /nfs/dbraw/zinc/96/73/17/365967317.db2.gz IQEAXHJBEOPRMW-ZETCQYMHSA-N 1 0 225.252 -1.163 20 0 BAADRO C[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 ZINC000577508232 365974861 /nfs/dbraw/zinc/97/48/61/365974861.db2.gz FSOUFIORZZQWGO-MRVPVSSYSA-N 1 0 249.336 -1.302 20 0 BAADRO C[NH2+][C@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 ZINC000577508233 365974412 /nfs/dbraw/zinc/97/44/12/365974412.db2.gz FSOUFIORZZQWGO-QMMMGPOBSA-N 1 0 249.336 -1.302 20 0 BAADRO C[NH2+]CCNC(=O)CN(C)CC(=O)NC(C)C ZINC000577508246 365974255 /nfs/dbraw/zinc/97/42/55/365974255.db2.gz HBJXKMVBFGWXRD-UHFFFAOYSA-N 1 0 244.339 -1.222 20 0 BAADRO C[C@H](C[NH3+])N(C)C(=O)Cn1ncn(C)c1=O ZINC000577508622 365974039 /nfs/dbraw/zinc/97/40/39/365974039.db2.gz SENQQFACBHLCPF-SSDOTTSWSA-N 1 0 227.268 -1.613 20 0 BAADRO C[C@@H](C[NH3+])N(C)C(=O)Cn1ncn(C)c1=O ZINC000577508628 365974376 /nfs/dbraw/zinc/97/43/76/365974376.db2.gz SENQQFACBHLCPF-ZETCQYMHSA-N 1 0 227.268 -1.613 20 0 BAADRO CC[C@@H](NC(=O)N[C@H]1CC[NH2+]C1)C(N)=O ZINC000577627893 366025543 /nfs/dbraw/zinc/02/55/43/366025543.db2.gz KSQZFIZMJGRQEH-NKWVEPMBSA-N 1 0 214.269 -1.089 20 0 BAADRO C[C@H]([NH3+])CCNC(=O)Cn1ncn(C)c1=O ZINC000577631183 366026960 /nfs/dbraw/zinc/02/69/60/366026960.db2.gz IOZMCHHQJFVQBO-ZETCQYMHSA-N 1 0 227.268 -1.565 20 0 BAADRO O=C(CN1CCNCC1=O)NC[C@H]1CCC[NH2+]1 ZINC000577727870 366045428 /nfs/dbraw/zinc/04/54/28/366045428.db2.gz CCCBSAQBPYUDRC-SECBINFHSA-N 1 0 240.307 -1.714 20 0 BAADRO O=C(CN1CCNCC1=O)NC[C@@H]1CCC[NH2+]1 ZINC000577727871 366045142 /nfs/dbraw/zinc/04/51/42/366045142.db2.gz CCCBSAQBPYUDRC-VIFPVBQESA-N 1 0 240.307 -1.714 20 0 BAADRO COC[C@@H](C)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000577748280 366051614 /nfs/dbraw/zinc/05/16/14/366051614.db2.gz SOPYPRJKWYBEDL-SFYZADRCSA-N 1 0 229.280 -1.384 20 0 BAADRO O=C(NC1=NCC(=O)N1)[C@H]1CC12CC[NH2+]CC2 ZINC000577867457 366091035 /nfs/dbraw/zinc/09/10/35/366091035.db2.gz AJJSHPDPJJUMNH-SSDOTTSWSA-N 1 0 236.275 -1.022 20 0 BAADRO O=C(NC1=NCC(=O)N1)[C@@H]1CC12CC[NH2+]CC2 ZINC000577867458 366091363 /nfs/dbraw/zinc/09/13/63/366091363.db2.gz AJJSHPDPJJUMNH-ZETCQYMHSA-N 1 0 236.275 -1.022 20 0 BAADRO O=C(C[NH2+]CC1CC1)NC1=NCC(=O)N1 ZINC000577867567 366091107 /nfs/dbraw/zinc/09/11/07/366091107.db2.gz LNZJFLCGJYJKHK-UHFFFAOYSA-N 1 0 210.237 -1.412 20 0 BAADRO CNC(=O)NC(=O)CN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000577931150 366108104 /nfs/dbraw/zinc/10/81/04/366108104.db2.gz ODZLHYYSCNQUCY-YUMQZZPRSA-N 1 0 244.295 -1.951 20 0 BAADRO [NH3+]CC1(CC(=O)NCCn2ncnn2)CC1 ZINC000577951554 366134821 /nfs/dbraw/zinc/13/48/21/366134821.db2.gz ZBPHAGKCINHNDT-UHFFFAOYSA-N 1 0 224.268 -1.082 20 0 BAADRO CC(C)NC(=O)CN(C)CC(=O)NCCC[NH3+] ZINC000578011434 366178137 /nfs/dbraw/zinc/17/81/37/366178137.db2.gz MLRAZBQIBBUYLF-UHFFFAOYSA-N 1 0 244.339 -1.092 20 0 BAADRO CCCNC(=O)NC(=O)C[NH2+]C(CO)CO ZINC000578023112 366187715 /nfs/dbraw/zinc/18/77/15/366187715.db2.gz PVPIEEVZMIZFBR-UHFFFAOYSA-N 1 0 233.268 -1.835 20 0 BAADRO COCCN(C)C[C@@H](O)C[N@H+](C)CCC(N)=O ZINC000578140523 366319948 /nfs/dbraw/zinc/31/99/48/366319948.db2.gz LSOHQHKQKSDBMB-JTQLQIEISA-N 1 0 247.339 -1.267 20 0 BAADRO COCCN(C)C[C@H](O)C[N@H+](C)CCC(N)=O ZINC000578140524 366319556 /nfs/dbraw/zinc/31/95/56/366319556.db2.gz LSOHQHKQKSDBMB-SNVBAGLBSA-N 1 0 247.339 -1.267 20 0 BAADRO CSCCCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000578174511 366358807 /nfs/dbraw/zinc/35/88/07/366358807.db2.gz QLNVLFQLZCATLJ-UHFFFAOYSA-N 1 0 231.321 -1.056 20 0 BAADRO C[C@H]1CN(CC[NH3+])CCN1S(C)(=O)=O ZINC000578237799 366467156 /nfs/dbraw/zinc/46/71/56/366467156.db2.gz OSEOBYXGDNVFAA-QMMMGPOBSA-N 1 0 221.326 -1.089 20 0 BAADRO C[C@H]1CN(C(=O)[C@@H]2CC[C@@H](C(N)=O)O2)CC[NH2+]1 ZINC000578321177 366509835 /nfs/dbraw/zinc/50/98/35/366509835.db2.gz YHQNDCLHFNUMOB-CIUDSAMLSA-N 1 0 241.291 -1.160 20 0 BAADRO C[C@H]1CN(C(=O)[C@H]2CC[C@H](C(N)=O)O2)CC[NH2+]1 ZINC000578321178 366510069 /nfs/dbraw/zinc/51/00/69/366510069.db2.gz YHQNDCLHFNUMOB-DJLDLDEBSA-N 1 0 241.291 -1.160 20 0 BAADRO C[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[NH2+]1 ZINC000578321179 366509920 /nfs/dbraw/zinc/50/99/20/366509920.db2.gz YHQNDCLHFNUMOB-XHNCKOQMSA-N 1 0 241.291 -1.160 20 0 BAADRO C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C(N)=O)O2)CC[NH2+]1 ZINC000578321180 366510033 /nfs/dbraw/zinc/51/00/33/366510033.db2.gz YHQNDCLHFNUMOB-YIZRAAEISA-N 1 0 241.291 -1.160 20 0 BAADRO CS(=O)(=O)NCCC(=O)N[C@H]1CCC[NH2+]C1 ZINC000578357002 366536608 /nfs/dbraw/zinc/53/66/08/366536608.db2.gz OJQOGRSWZSXBAJ-QMMMGPOBSA-N 1 0 249.336 -1.206 20 0 BAADRO C[C@@H]1CN(CC[NH2+]C(CO)CO)CCO1 ZINC000578375682 366544248 /nfs/dbraw/zinc/54/42/48/366544248.db2.gz DGXUIENJCJNLAW-SECBINFHSA-N 1 0 218.297 -1.350 20 0 BAADRO C[C@H]1CN(CC[NH2+]C(CO)CO)CCO1 ZINC000578375683 366544604 /nfs/dbraw/zinc/54/46/04/366544604.db2.gz DGXUIENJCJNLAW-VIFPVBQESA-N 1 0 218.297 -1.350 20 0 BAADRO C[NH+](C)[C@H]1CN(C(=O)C(=O)NC2CC2)C[C@@H]1O ZINC000578382276 366547452 /nfs/dbraw/zinc/54/74/52/366547452.db2.gz DJGQQMLBRCHGBR-IUCAKERBSA-N 1 0 241.291 -1.602 20 0 BAADRO CN1CC[NH2+]C[C@@H]1CNC(=O)C(=O)NC1CC1 ZINC000578443749 366569936 /nfs/dbraw/zinc/56/99/36/366569936.db2.gz ZMAYGWCWLFMSDT-SECBINFHSA-N 1 0 240.307 -1.715 20 0 BAADRO CN1CC[NH2+]C[C@H]1CNC(=O)C(=O)NC1CC1 ZINC000578443750 366569946 /nfs/dbraw/zinc/56/99/46/366569946.db2.gz ZMAYGWCWLFMSDT-VIFPVBQESA-N 1 0 240.307 -1.715 20 0 BAADRO CC[N@H+](C)C[C@H](O)CN1CC[C@@H](CO)[C@@H](O)C1 ZINC000578518688 366585734 /nfs/dbraw/zinc/58/57/34/366585734.db2.gz DTRNUUHFVOVICI-SRVKXCTJSA-N 1 0 246.351 -1.026 20 0 BAADRO CC[N@H+](C)C[C@H](O)CN1CC[C@H](CO)[C@@H](O)C1 ZINC000578518689 366586316 /nfs/dbraw/zinc/58/63/16/366586316.db2.gz DTRNUUHFVOVICI-WOPDTQHZSA-N 1 0 246.351 -1.026 20 0 BAADRO C[NH+](C)CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000578523643 366590873 /nfs/dbraw/zinc/59/08/73/366590873.db2.gz JSPNEVRMQISMJY-SFYZADRCSA-N 1 0 229.280 -1.192 20 0 BAADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)CC[NH3+])C1 ZINC000578527677 366592096 /nfs/dbraw/zinc/59/20/96/366592096.db2.gz OCSSIIICVGTAPV-MRVPVSSYSA-N 1 0 249.336 -1.125 20 0 BAADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)CC[NH3+])C1 ZINC000578527688 366592112 /nfs/dbraw/zinc/59/21/12/366592112.db2.gz OCSSIIICVGTAPV-QMMMGPOBSA-N 1 0 249.336 -1.125 20 0 BAADRO O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1CSCN1 ZINC000578533319 366592905 /nfs/dbraw/zinc/59/29/05/366592905.db2.gz DAZCTNZWDHKKSG-SFYZADRCSA-N 1 0 231.321 -1.247 20 0 BAADRO O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1CSCN1 ZINC000578533320 366592978 /nfs/dbraw/zinc/59/29/78/366592978.db2.gz DAZCTNZWDHKKSG-YUMQZZPRSA-N 1 0 231.321 -1.247 20 0 BAADRO C[C@H](O)C[NH2+][C@H](CO)CN1CCOCC1 ZINC000578627324 366612387 /nfs/dbraw/zinc/61/23/87/366612387.db2.gz STHUKNZJFJCEKU-UWVGGRQHSA-N 1 0 218.297 -1.350 20 0 BAADRO C[C@H](O)C[NH2+][C@@H](CO)CN1CCOCC1 ZINC000578627326 366612941 /nfs/dbraw/zinc/61/29/41/366612941.db2.gz STHUKNZJFJCEKU-VHSXEESVSA-N 1 0 218.297 -1.350 20 0 BAADRO CO[C@@H]1COC[C@@H]1[NH2+]CCC(=O)NC(N)=O ZINC000578741172 366634288 /nfs/dbraw/zinc/63/42/88/366634288.db2.gz JTHMFWKKTVNDCG-NKWVEPMBSA-N 1 0 231.252 -1.425 20 0 BAADRO NC(=O)NC(=O)CC[NH2+]CC(=O)NCC1CC1 ZINC000578741995 366635305 /nfs/dbraw/zinc/63/53/05/366635305.db2.gz UDMRSGXBFSDDFD-UHFFFAOYSA-N 1 0 242.279 -1.313 20 0 BAADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C[NH2+]C)C1 ZINC000578745340 366636513 /nfs/dbraw/zinc/63/65/13/366636513.db2.gz PTBSULFQQFAHKK-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C[NH2+]C)C1 ZINC000578745341 366635834 /nfs/dbraw/zinc/63/58/34/366635834.db2.gz PTBSULFQQFAHKK-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO CS(=O)(=O)NCCC(=O)NC[C@H]1CCC[NH2+]1 ZINC000578768153 366631051 /nfs/dbraw/zinc/63/10/51/366631051.db2.gz LHVGVDQKTLQMOT-MRVPVSSYSA-N 1 0 249.336 -1.206 20 0 BAADRO CS(=O)(=O)NCCC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000578768154 366631092 /nfs/dbraw/zinc/63/10/92/366631092.db2.gz LHVGVDQKTLQMOT-QMMMGPOBSA-N 1 0 249.336 -1.206 20 0 BAADRO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000578827557 366652922 /nfs/dbraw/zinc/65/29/22/366652922.db2.gz LVHCRXFJSJPRHL-DJLDLDEBSA-N 1 0 216.281 -1.075 20 0 BAADRO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000578827558 366652137 /nfs/dbraw/zinc/65/21/37/366652137.db2.gz LVHCRXFJSJPRHL-HLTSFMKQSA-N 1 0 216.281 -1.075 20 0 BAADRO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000578827559 366652516 /nfs/dbraw/zinc/65/25/16/366652516.db2.gz LVHCRXFJSJPRHL-IWSPIJDZSA-N 1 0 216.281 -1.075 20 0 BAADRO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000578827560 366652730 /nfs/dbraw/zinc/65/27/30/366652730.db2.gz LVHCRXFJSJPRHL-YIZRAAEISA-N 1 0 216.281 -1.075 20 0 BAADRO COCC(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000578865492 366660577 /nfs/dbraw/zinc/66/05/77/366660577.db2.gz RBELRXIADZKBBB-UHFFFAOYSA-N 1 0 240.267 -1.201 20 0 BAADRO CN(C)S(=O)(=O)CCC[NH2+]C(CO)CO ZINC000578878736 366664344 /nfs/dbraw/zinc/66/43/44/366664344.db2.gz GAHGNVIPHDEICX-UHFFFAOYSA-N 1 0 240.325 -1.789 20 0 BAADRO C[NH2+]CCN(C)C(=O)CS(=O)(=O)N(C)C ZINC000578890105 366669354 /nfs/dbraw/zinc/66/93/54/366669354.db2.gz GJHSJUOUUCLJJC-UHFFFAOYSA-N 1 0 237.325 -1.444 20 0 BAADRO COC[C@H](O)C[NH2+][C@H](CO)CN(C)C ZINC000579008694 366695349 /nfs/dbraw/zinc/69/53/49/366695349.db2.gz AZULHLNURWWTPB-DTWKUNHWSA-N 1 0 206.286 -1.494 20 0 BAADRO COC[C@H](O)C[NH2+][C@@H](CO)CN(C)C ZINC000579008695 366695703 /nfs/dbraw/zinc/69/57/03/366695703.db2.gz AZULHLNURWWTPB-RKDXNWHRSA-N 1 0 206.286 -1.494 20 0 BAADRO CCS(=O)(=O)NCC(=O)NCC(C)(C)[NH3+] ZINC000579120711 366716458 /nfs/dbraw/zinc/71/64/58/366716458.db2.gz NMKKUTQTOGIDFH-UHFFFAOYSA-N 1 0 237.325 -1.221 20 0 BAADRO C[C@@]1(F)C[NH2+]CCN(CC(=O)NC(N)=O)C1 ZINC000579232534 366740933 /nfs/dbraw/zinc/74/09/33/366740933.db2.gz FQCKFGWMNYHJLX-SECBINFHSA-N 1 0 232.259 -1.185 20 0 BAADRO C[C@]1(F)C[NH2+]CCN(CC(=O)NC(N)=O)C1 ZINC000579232535 366740946 /nfs/dbraw/zinc/74/09/46/366740946.db2.gz FQCKFGWMNYHJLX-VIFPVBQESA-N 1 0 232.259 -1.185 20 0 BAADRO CNC(=O)[C@H]1CN(C[C@@H](C)[NH3+])CCO1 ZINC000579240953 366743090 /nfs/dbraw/zinc/74/30/90/366743090.db2.gz GDICCPAARJLSLG-HTQZYQBOSA-N 1 0 201.270 -1.220 20 0 BAADRO CNC(=O)[C@H]1CN(C[C@H](C)[NH3+])CCO1 ZINC000579240958 366743875 /nfs/dbraw/zinc/74/38/75/366743875.db2.gz GDICCPAARJLSLG-JGVFFNPUSA-N 1 0 201.270 -1.220 20 0 BAADRO CNC(=O)[C@@H]1CN(C[C@@H](C)[NH3+])CCO1 ZINC000579240962 366743851 /nfs/dbraw/zinc/74/38/51/366743851.db2.gz GDICCPAARJLSLG-SFYZADRCSA-N 1 0 201.270 -1.220 20 0 BAADRO CNC(=O)[C@@H]1CN(C[C@H](C)[NH3+])CCO1 ZINC000579240964 366743624 /nfs/dbraw/zinc/74/36/24/366743624.db2.gz GDICCPAARJLSLG-YUMQZZPRSA-N 1 0 201.270 -1.220 20 0 BAADRO C[NH+](C)[C@H]1CN(CCC(=O)NC(N)=O)C[C@@H]1O ZINC000579241387 366743378 /nfs/dbraw/zinc/74/33/78/366743378.db2.gz GSISAADURBLECQ-YUMQZZPRSA-N 1 0 244.295 -1.822 20 0 BAADRO CN1CCN(C(=O)NCCC[NH3+])CC1=O ZINC000579243657 366745314 /nfs/dbraw/zinc/74/53/14/366745314.db2.gz BPHFXZZFPIIWNK-UHFFFAOYSA-N 1 0 214.269 -1.181 20 0 BAADRO CC[C@H](O)C[NH2+]CCS(=O)(=O)NC ZINC000579346093 366764177 /nfs/dbraw/zinc/76/41/77/366764177.db2.gz ZMSISZKKNBHBBQ-ZETCQYMHSA-N 1 0 210.299 -1.104 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)N(C)CC[NH3+] ZINC000579352322 366761990 /nfs/dbraw/zinc/76/19/90/366761990.db2.gz WTTKDXSBKXNFPP-LURJTMIESA-N 1 0 223.298 -1.659 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)N(C)CC[NH3+] ZINC000579352323 366761502 /nfs/dbraw/zinc/76/15/02/366761502.db2.gz WTTKDXSBKXNFPP-ZCFIWIBFSA-N 1 0 223.298 -1.659 20 0 BAADRO Cc1nn(C)cc1S(=O)(=O)NCC[NH3+] ZINC000579353027 366766944 /nfs/dbraw/zinc/76/69/44/366766944.db2.gz QGKJOLXQPIBXDJ-UHFFFAOYSA-N 1 0 218.282 -1.034 20 0 BAADRO C[NH+](C)[C@H]1CN(CCn2cncn2)C[C@@H]1O ZINC000579430521 366782142 /nfs/dbraw/zinc/78/21/42/366782142.db2.gz DBGUWPHCMCJPIL-UWVGGRQHSA-N 1 0 225.296 -1.115 20 0 BAADRO COC[C@@H](C)N(C)C(=O)C(=O)NC1C[NH2+]C1 ZINC000579454076 366800525 /nfs/dbraw/zinc/80/05/25/366800525.db2.gz DYVSYRMUAUFJAX-SSDOTTSWSA-N 1 0 229.280 -1.432 20 0 BAADRO CCN(CC(=O)OC)C(=O)[C@@H](C[NH3+])OC ZINC000579462832 366812874 /nfs/dbraw/zinc/81/28/74/366812874.db2.gz ZVGSWEXROVZFJH-SSDOTTSWSA-N 1 0 218.253 -1.018 20 0 BAADRO CCN(CC(=O)OC)C(=O)[C@H](C[NH3+])OC ZINC000579462833 366812898 /nfs/dbraw/zinc/81/28/98/366812898.db2.gz ZVGSWEXROVZFJH-ZETCQYMHSA-N 1 0 218.253 -1.018 20 0 BAADRO CNC(=O)CC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000579471122 366819766 /nfs/dbraw/zinc/81/97/66/366819766.db2.gz HYKBREUXNXITAU-MRVPVSSYSA-N 1 0 228.296 -1.776 20 0 BAADRO CNC(=O)CC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000579471123 366819458 /nfs/dbraw/zinc/81/94/58/366819458.db2.gz HYKBREUXNXITAU-QMMMGPOBSA-N 1 0 228.296 -1.776 20 0 BAADRO CN(CCN1CC[NH2+]CC1)Cc1nnnn1C ZINC000579474594 366822742 /nfs/dbraw/zinc/82/27/42/366822742.db2.gz FTFQHNUJSIPENT-UHFFFAOYSA-N 1 0 239.327 -1.453 20 0 BAADRO CCOC(=O)CN(CC(N)=O)C(=O)C[NH2+]C ZINC000579475216 366822486 /nfs/dbraw/zinc/82/24/86/366822486.db2.gz VKXBMNRZDOPEQE-UHFFFAOYSA-N 1 0 231.252 -1.917 20 0 BAADRO C[NH2+]CCNS(=O)(=O)c1c(N)noc1C ZINC000579591920 411894239 /nfs/dbraw/zinc/89/42/39/411894239.db2.gz UKPLJDMBWFMILB-UHFFFAOYSA-N 1 0 234.281 -0.937 20 0 BAADRO [NH3+]CCCNC(=O)CN1CCOCC1 ZINC000579593566 366897057 /nfs/dbraw/zinc/89/70/57/366897057.db2.gz UGHSKEFFKPXDDT-UHFFFAOYSA-N 1 0 201.270 -1.216 20 0 BAADRO COC(=O)[C@H]1CN(C(=O)[C@H](C)C[NH3+])CCO1 ZINC000579607063 366904205 /nfs/dbraw/zinc/90/42/05/366904205.db2.gz JNUKUCJBYUFRCF-HTQZYQBOSA-N 1 0 230.264 -1.018 20 0 BAADRO COC(=O)[C@H]1CN(C(=O)[C@@H](C)C[NH3+])CCO1 ZINC000579607064 366903989 /nfs/dbraw/zinc/90/39/89/366903989.db2.gz JNUKUCJBYUFRCF-JGVFFNPUSA-N 1 0 230.264 -1.018 20 0 BAADRO COC(=O)[C@@H]1CN(C(=O)[C@H](C)C[NH3+])CCO1 ZINC000579607065 366903836 /nfs/dbraw/zinc/90/38/36/366903836.db2.gz JNUKUCJBYUFRCF-SFYZADRCSA-N 1 0 230.264 -1.018 20 0 BAADRO COC(=O)[C@@H]1CN(C(=O)[C@@H](C)C[NH3+])CCO1 ZINC000579607066 366904240 /nfs/dbraw/zinc/90/42/40/366904240.db2.gz JNUKUCJBYUFRCF-YUMQZZPRSA-N 1 0 230.264 -1.018 20 0 BAADRO C[NH+](C)[C@H]1CN([C@H]2CCCNC2=O)C[C@@H]1O ZINC000579608871 366905238 /nfs/dbraw/zinc/90/52/38/366905238.db2.gz FVFNULBGVNVBAS-GUBZILKMSA-N 1 0 227.308 -1.128 20 0 BAADRO C[NH+](C)[C@H]1CN([C@@H]2CCCNC2=O)C[C@@H]1O ZINC000579608872 366906055 /nfs/dbraw/zinc/90/60/55/366906055.db2.gz FVFNULBGVNVBAS-UTLUCORTSA-N 1 0 227.308 -1.128 20 0 BAADRO CC(=O)N[C@@H](C)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000579612509 366908965 /nfs/dbraw/zinc/90/89/65/366908965.db2.gz LGOLEYJIVYHAKT-HGNGGELXSA-N 1 0 243.307 -1.356 20 0 BAADRO CC(=O)N[C@H](C)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000579612510 366908912 /nfs/dbraw/zinc/90/89/12/366908912.db2.gz LGOLEYJIVYHAKT-JEZHCXPESA-N 1 0 243.307 -1.356 20 0 BAADRO COC[C@@H](O)C[NH2+][C@@H]1COC[C@@H]1OC ZINC000579702491 366984190 /nfs/dbraw/zinc/98/41/90/366984190.db2.gz WHJPMXOSGLOGQJ-YIZRAAEISA-N 1 0 205.254 -1.003 20 0 BAADRO C[C@H](C(=O)NC(N)=O)N1CC(C)(C(N)=O)C1 ZINC000579705990 366985618 /nfs/dbraw/zinc/98/56/18/366985618.db2.gz VTHPNMXHUYZMPZ-RXMQYKEDSA-N 1 0 228.252 -1.623 20 0 BAADRO C[C@@H](C(=O)NC(N)=O)N1CC(C)(C(N)=O)C1 ZINC000579705991 366984955 /nfs/dbraw/zinc/98/49/55/366984955.db2.gz VTHPNMXHUYZMPZ-YFKPBYRVSA-N 1 0 228.252 -1.623 20 0 BAADRO CC1(C(=O)NCCc2nc(N)no2)C[NH2+]C1 ZINC000579708158 411391451 /nfs/dbraw/zinc/39/14/51/411391451.db2.gz HYECDBPKNWVQAN-UHFFFAOYSA-N 1 0 225.252 -1.080 20 0 BAADRO C[C@@H](NC(=O)[C@H](C)O)C(=O)NCC[NH+](C)C ZINC000579731731 366996538 /nfs/dbraw/zinc/99/65/38/366996538.db2.gz WGYYFMNBPMEPPA-SFYZADRCSA-N 1 0 231.296 -1.450 20 0 BAADRO C[C@H](O)C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000579731732 366996310 /nfs/dbraw/zinc/99/63/10/366996310.db2.gz WGYYFMNBPMEPPA-YUMQZZPRSA-N 1 0 231.296 -1.450 20 0 BAADRO CC1(CNC(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000579814417 367018307 /nfs/dbraw/zinc/01/83/07/367018307.db2.gz ZNBUNSFATXOCTR-UHFFFAOYSA-N 1 0 211.265 -1.009 20 0 BAADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)CN1CCNCC1=O ZINC000579831610 367036726 /nfs/dbraw/zinc/03/67/26/367036726.db2.gz CCVOKTXDFXTRJY-HTQZYQBOSA-N 1 0 228.296 -1.730 20 0 BAADRO C[C@@H](NC(=O)CN1CCNCC1=O)[C@H](C)[NH3+] ZINC000579831611 367036804 /nfs/dbraw/zinc/03/68/04/367036804.db2.gz CCVOKTXDFXTRJY-JGVFFNPUSA-N 1 0 228.296 -1.730 20 0 BAADRO C[C@@H]([NH3+])[C@H](C)NC(=O)CN1CCNCC1=O ZINC000579831612 367036250 /nfs/dbraw/zinc/03/62/50/367036250.db2.gz CCVOKTXDFXTRJY-SFYZADRCSA-N 1 0 228.296 -1.730 20 0 BAADRO C[C@H]([NH3+])[C@H](C)NC(=O)CN1CCNCC1=O ZINC000579831613 367036864 /nfs/dbraw/zinc/03/68/64/367036864.db2.gz CCVOKTXDFXTRJY-YUMQZZPRSA-N 1 0 228.296 -1.730 20 0 BAADRO O=C(CNC(=O)COC1C[NH2+]C1)NCC1CC1 ZINC000579833695 367038012 /nfs/dbraw/zinc/03/80/12/367038012.db2.gz FIMYMLJLPFIMHX-UHFFFAOYSA-N 1 0 241.291 -1.383 20 0 BAADRO CN(C(=O)COC1C[NH2+]C1)C1CC(O)C1 ZINC000579950120 367097339 /nfs/dbraw/zinc/09/73/39/367097339.db2.gz VWSQHXOZOMDVOO-UHFFFAOYSA-N 1 0 214.265 -1.044 20 0 BAADRO C[NH2+]CCCNC(=O)CN1CN=NC1=O ZINC000579956029 367102558 /nfs/dbraw/zinc/10/25/58/367102558.db2.gz XMRCKZVLTDYRPY-UHFFFAOYSA-N 1 0 213.241 -1.291 20 0 BAADRO CNC(=O)[C@@H](CO)[NH2+]CC1(O)CCCC1 ZINC000579958950 367103615 /nfs/dbraw/zinc/10/36/15/367103615.db2.gz WBXMTVXSISFJFI-MRVPVSSYSA-N 1 0 216.281 -1.012 20 0 BAADRO CNC(=O)[C@H](CO)[NH2+]CC1(O)CCCC1 ZINC000579958951 367103577 /nfs/dbraw/zinc/10/35/77/367103577.db2.gz WBXMTVXSISFJFI-QMMMGPOBSA-N 1 0 216.281 -1.012 20 0 BAADRO C[NH2+]CCNC(=O)N1CCN(C)C(=O)C1 ZINC000579967447 367106746 /nfs/dbraw/zinc/10/67/46/367106746.db2.gz JVLMRDZKHRIAQF-UHFFFAOYSA-N 1 0 214.269 -1.311 20 0 BAADRO CCN(CC(C)(C)O)C(=O)C(=O)NC1C[NH2+]C1 ZINC000580054803 346497788 /nfs/dbraw/zinc/49/77/88/346497788.db2.gz RJHOWGCUFNHEHK-UHFFFAOYSA-N 1 0 243.307 -1.306 20 0 BAADRO CNC(=O)NC(=O)CC[NH+]1CC(C)(C(N)=O)C1 ZINC000580069147 346508902 /nfs/dbraw/zinc/50/89/02/346508902.db2.gz MKKCMRHSQYSKOJ-UHFFFAOYSA-N 1 0 242.279 -1.361 20 0 BAADRO CNC(=O)CCCN(C)C(=O)COC1C[NH2+]C1 ZINC000580071424 346507352 /nfs/dbraw/zinc/50/73/52/346507352.db2.gz QMUKGYZSFHTTDG-UHFFFAOYSA-N 1 0 243.307 -1.041 20 0 BAADRO [NH3+]C[C@H]1CCCN1C(=O)CN1CN=NC1=O ZINC000580072301 346511868 /nfs/dbraw/zinc/51/18/68/346511868.db2.gz ZCRSTJVLJYXHSI-SSDOTTSWSA-N 1 0 225.252 -1.067 20 0 BAADRO [NH3+]C[C@@H]1CCCN1C(=O)CN1CN=NC1=O ZINC000580072302 346511815 /nfs/dbraw/zinc/51/18/15/346511815.db2.gz ZCRSTJVLJYXHSI-ZETCQYMHSA-N 1 0 225.252 -1.067 20 0 BAADRO COCC(=O)N(C)CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000580072905 346509527 /nfs/dbraw/zinc/50/95/27/346509527.db2.gz MVONKFXYLTZEKT-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO COC(=O)[C@H]1COCCN1C(=O)CC[NH3+] ZINC000580075895 346513540 /nfs/dbraw/zinc/51/35/40/346513540.db2.gz GWJYQKKPUAUGBM-SSDOTTSWSA-N 1 0 216.237 -1.264 20 0 BAADRO COC(=O)[C@@H]1COCCN1C(=O)CC[NH3+] ZINC000580075896 346513599 /nfs/dbraw/zinc/51/35/99/346513599.db2.gz GWJYQKKPUAUGBM-ZETCQYMHSA-N 1 0 216.237 -1.264 20 0 BAADRO C[C@H]([NH3+])Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000580188516 346637050 /nfs/dbraw/zinc/63/70/50/346637050.db2.gz WXGSDJFJRGTWJX-LURJTMIESA-N 1 0 237.263 -1.219 20 0 BAADRO C[C@@H]([NH3+])Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000580188517 346636938 /nfs/dbraw/zinc/63/69/38/346636938.db2.gz WXGSDJFJRGTWJX-ZCFIWIBFSA-N 1 0 237.263 -1.219 20 0 BAADRO COCC(=O)N(C)CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000580304109 346879139 /nfs/dbraw/zinc/87/91/39/346879139.db2.gz XERWCHMAQFOYLT-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO COCC(=O)N(C)CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000580304110 346879292 /nfs/dbraw/zinc/87/92/92/346879292.db2.gz XERWCHMAQFOYLT-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO CC(C)[C@H]1CN(C(=O)CNC(=O)C[NH3+])CCO1 ZINC000580309376 346888110 /nfs/dbraw/zinc/88/81/10/346888110.db2.gz UJSMVUMXBITTHW-SECBINFHSA-N 1 0 243.307 -1.055 20 0 BAADRO CC(C)[C@@H]1CN(C(=O)CNC(=O)C[NH3+])CCO1 ZINC000580309377 346887753 /nfs/dbraw/zinc/88/77/53/346887753.db2.gz UJSMVUMXBITTHW-VIFPVBQESA-N 1 0 243.307 -1.055 20 0 BAADRO CC[NH2+]CCCNC(=O)CN1CC(=O)NC1=O ZINC000580310421 346891500 /nfs/dbraw/zinc/89/15/00/346891500.db2.gz PDOPIRQWAIILCA-UHFFFAOYSA-N 1 0 242.279 -1.346 20 0 BAADRO CC[N@H+](C)C[C@@H](O)Cn1c(=O)ncn1C ZINC000580329437 347176993 /nfs/dbraw/zinc/17/69/93/347176993.db2.gz YFWIFGUXVVHZQX-MRVPVSSYSA-N 1 0 214.269 -1.106 20 0 BAADRO CC[N@H+](C)C[C@H](O)Cn1c(=O)ncn1C ZINC000580329438 347176693 /nfs/dbraw/zinc/17/66/93/347176693.db2.gz YFWIFGUXVVHZQX-QMMMGPOBSA-N 1 0 214.269 -1.106 20 0 BAADRO [NH3+]C1(CNC(=O)CN2CCNCC2=O)CCC1 ZINC000580428136 359538116 /nfs/dbraw/zinc/53/81/16/359538116.db2.gz AQFSGUJCWRHBAL-UHFFFAOYSA-N 1 0 240.307 -1.584 20 0 BAADRO CCS(=O)(=O)NCC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000580429639 359546850 /nfs/dbraw/zinc/54/68/50/359546850.db2.gz YCUONCUJPOCMBY-MRVPVSSYSA-N 1 0 249.336 -1.206 20 0 BAADRO CCN(C)C(=O)[C@@H](C)NC(=O)COC1C[NH2+]C1 ZINC000580442932 359551747 /nfs/dbraw/zinc/55/17/47/359551747.db2.gz BFBIROKHXCLSME-MRVPVSSYSA-N 1 0 243.307 -1.042 20 0 BAADRO CCN(C)C(=O)[C@H](C)NC(=O)COC1C[NH2+]C1 ZINC000580442933 359551551 /nfs/dbraw/zinc/55/15/51/359551551.db2.gz BFBIROKHXCLSME-QMMMGPOBSA-N 1 0 243.307 -1.042 20 0 BAADRO C[C@H]([NH3+])[C@H](C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC000580444342 359553552 /nfs/dbraw/zinc/55/35/52/359553552.db2.gz DZYNIBQHXWCPER-ACZMJKKPSA-N 1 0 237.325 -1.224 20 0 BAADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC000580444343 359553832 /nfs/dbraw/zinc/55/38/32/359553832.db2.gz DZYNIBQHXWCPER-QYNIQEEDSA-N 1 0 237.325 -1.224 20 0 BAADRO C[C@@H]([NH3+])[C@H](C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC000580444344 359554152 /nfs/dbraw/zinc/55/41/52/359554152.db2.gz DZYNIBQHXWCPER-VQVTYTSYSA-N 1 0 237.325 -1.224 20 0 BAADRO C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@H](C)[NH3+] ZINC000580444345 359553845 /nfs/dbraw/zinc/55/38/45/359553845.db2.gz DZYNIBQHXWCPER-XVMARJQXSA-N 1 0 237.325 -1.224 20 0 BAADRO CCNC(=O)CN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000580462188 359568870 /nfs/dbraw/zinc/56/88/70/359568870.db2.gz SPUQXGIEWUMFFG-IUCAKERBSA-N 1 0 215.297 -1.271 20 0 BAADRO COCCNC(=O)CNC(=O)CC1(C[NH3+])CC1 ZINC000580547057 365741249 /nfs/dbraw/zinc/74/12/49/365741249.db2.gz RWWJFJGJDJVFDQ-UHFFFAOYSA-N 1 0 243.307 -1.006 20 0 BAADRO CCOC(=O)CCNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000580558478 365763075 /nfs/dbraw/zinc/76/30/75/365763075.db2.gz HLYBUDQXSNEXPO-ZETCQYMHSA-N 1 0 246.263 -1.054 20 0 BAADRO CCOCCN(CC)C(=O)C(=O)NC1C[NH2+]C1 ZINC000580634499 365833612 /nfs/dbraw/zinc/83/36/12/365833612.db2.gz SSCNETQTIMCKFV-UHFFFAOYSA-N 1 0 243.307 -1.041 20 0 BAADRO CCS(=O)(=O)NCC(=O)NCCC[NH3+] ZINC000580644677 365840251 /nfs/dbraw/zinc/84/02/51/365840251.db2.gz UFHPZNBTTJAIRJ-UHFFFAOYSA-N 1 0 223.298 -1.609 20 0 BAADRO O=C(CN1CCCNC1=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000580646363 365841645 /nfs/dbraw/zinc/84/16/45/365841645.db2.gz JHFRGCQGLZIZRT-MBTKJCJQSA-N 1 0 238.291 -1.264 20 0 BAADRO CN(C)C(=O)CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000580726491 367151254 /nfs/dbraw/zinc/15/12/54/367151254.db2.gz VAFUMOZSGUJNGA-ZETCQYMHSA-N 1 0 214.269 -1.264 20 0 BAADRO NC(=O)C1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCC1 ZINC000580774890 367162687 /nfs/dbraw/zinc/16/26/87/367162687.db2.gz CNYCXBMJBFZEBK-JIGDXULJSA-N 1 0 223.276 -1.024 20 0 BAADRO CO[C@@H]1COC[C@H]1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000580831790 367180999 /nfs/dbraw/zinc/18/09/99/367180999.db2.gz IUNYEBJEBABPPB-ZOZBQHSOSA-N 1 0 241.291 -1.083 20 0 BAADRO CN1CCN(C(=O)C(=O)NC2CC2)[C@H](C[NH3+])C1 ZINC000580834451 367182430 /nfs/dbraw/zinc/18/24/30/367182430.db2.gz FYXNVNXXTARVBB-SECBINFHSA-N 1 0 240.307 -1.634 20 0 BAADRO CN1CCN(C(=O)C(=O)NC2CC2)[C@@H](C[NH3+])C1 ZINC000580834452 367183087 /nfs/dbraw/zinc/18/30/87/367183087.db2.gz FYXNVNXXTARVBB-VIFPVBQESA-N 1 0 240.307 -1.634 20 0 BAADRO CO[C@@H]1COC[C@H]1NC(=O)N(CC[NH3+])CCO ZINC000580950635 367214004 /nfs/dbraw/zinc/21/40/04/367214004.db2.gz YAWZPUGUVLYYLF-RKDXNWHRSA-N 1 0 247.295 -1.637 20 0 BAADRO O=C(CN1CN=NC1=O)N[C@H]1CCC[NH2+]C1 ZINC000580951255 367214596 /nfs/dbraw/zinc/21/45/96/367214596.db2.gz GIBZMGCFDOHXTI-ZETCQYMHSA-N 1 0 225.252 -1.148 20 0 BAADRO C[NH2+]CCNS(=O)(=O)CCOCCOC ZINC000580951741 367215673 /nfs/dbraw/zinc/21/56/73/367215673.db2.gz LOCDAZHSCDBBFM-UHFFFAOYSA-N 1 0 240.325 -1.212 20 0 BAADRO COC(=O)CCNC(=O)CN1CC[C@@H]([NH3+])C1 ZINC000580952036 367215401 /nfs/dbraw/zinc/21/54/01/367215401.db2.gz CLHXXVDRPOFFNL-MRVPVSSYSA-N 1 0 229.280 -1.301 20 0 BAADRO C[C@@H](O)C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000580962455 367219573 /nfs/dbraw/zinc/21/95/73/367219573.db2.gz PSHUEFRSNSNIHP-KCJUWKMLSA-N 1 0 228.292 -1.060 20 0 BAADRO C[C@@H](O)C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000580962460 367219405 /nfs/dbraw/zinc/21/94/05/367219405.db2.gz PSHUEFRSNSNIHP-LDYMZIIASA-N 1 0 228.292 -1.060 20 0 BAADRO O=C(N[C@@H]1COC[C@H]1O)N[C@H]1CC[NH2+]C1 ZINC000580964012 367220717 /nfs/dbraw/zinc/22/07/17/367220717.db2.gz KOCKIRNZSUHWQV-XLPZGREQSA-N 1 0 215.253 -1.593 20 0 BAADRO CNC(=O)CNC(=O)N[C@@H](C)C[NH+](C)C ZINC000580970662 367222271 /nfs/dbraw/zinc/22/22/71/367222271.db2.gz BBSHIJWNEJTHES-ZETCQYMHSA-N 1 0 216.285 -1.018 20 0 BAADRO Cn1nnc(CNC(=O)NCC[NH+]2CCC2)n1 ZINC000580988193 367225928 /nfs/dbraw/zinc/22/59/28/367225928.db2.gz DUXUFYUUMWNHPL-UHFFFAOYSA-N 1 0 239.283 -1.285 20 0 BAADRO COCCN(CC(=O)OC)C(=O)[C@@H](C[NH3+])OC ZINC000581006402 367231028 /nfs/dbraw/zinc/23/10/28/367231028.db2.gz PZXNFTWOOUYFQF-MRVPVSSYSA-N 1 0 248.279 -1.392 20 0 BAADRO COCCN(CC(=O)OC)C(=O)[C@H](C[NH3+])OC ZINC000581006403 367231674 /nfs/dbraw/zinc/23/16/74/367231674.db2.gz PZXNFTWOOUYFQF-QMMMGPOBSA-N 1 0 248.279 -1.392 20 0 BAADRO NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2)O1 ZINC000581071432 365816967 /nfs/dbraw/zinc/81/69/67/365816967.db2.gz BMVBRDWIORNABO-BZNPZCIMSA-N 1 0 241.291 -1.127 20 0 BAADRO NC(=O)[C@@H]1CC[C@@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2)O1 ZINC000581071434 365817005 /nfs/dbraw/zinc/81/70/05/365817005.db2.gz BMVBRDWIORNABO-KZVJFYERSA-N 1 0 241.291 -1.127 20 0 BAADRO NC(=O)[C@H]1CC[C@@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2)O1 ZINC000581071435 365817152 /nfs/dbraw/zinc/81/71/52/365817152.db2.gz BMVBRDWIORNABO-UYXSQOIJSA-N 1 0 241.291 -1.127 20 0 BAADRO NC(=O)[C@@H]1CC[C@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2)O1 ZINC000581071437 365818047 /nfs/dbraw/zinc/81/80/47/365818047.db2.gz BMVBRDWIORNABO-XAVMHZPKSA-N 1 0 241.291 -1.127 20 0 BAADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1cc[nH]n1 ZINC000581187588 412315805 /nfs/dbraw/zinc/31/58/05/412315805.db2.gz DEDZLNYHJLWSCA-SSDOTTSWSA-N 1 0 237.263 -0.784 20 0 BAADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1cc[nH]n1 ZINC000581187591 412315700 /nfs/dbraw/zinc/31/57/00/412315700.db2.gz DEDZLNYHJLWSCA-ZETCQYMHSA-N 1 0 237.263 -0.784 20 0 BAADRO NC(=O)[C@H]1CCC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000581259081 367311350 /nfs/dbraw/zinc/31/13/50/367311350.db2.gz XHHFZVBYNGVPBH-BQBZGAKWSA-N 1 0 225.248 -1.401 20 0 BAADRO NC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000581259082 367312181 /nfs/dbraw/zinc/31/21/81/367312181.db2.gz XHHFZVBYNGVPBH-NKWVEPMBSA-N 1 0 225.248 -1.401 20 0 BAADRO NC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000581259083 367312655 /nfs/dbraw/zinc/31/26/55/367312655.db2.gz XHHFZVBYNGVPBH-RNFRBKRXSA-N 1 0 225.248 -1.401 20 0 BAADRO NC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000581259084 367311883 /nfs/dbraw/zinc/31/18/83/367311883.db2.gz XHHFZVBYNGVPBH-RQJHMYQMSA-N 1 0 225.248 -1.401 20 0 BAADRO CO[C@@H]1CCCN(C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000581300636 367327549 /nfs/dbraw/zinc/32/75/49/367327549.db2.gz DHPNIOIGJBIEAD-SECBINFHSA-N 1 0 241.291 -1.288 20 0 BAADRO CO[C@H]1CCCN(C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000581300637 367328286 /nfs/dbraw/zinc/32/82/86/367328286.db2.gz DHPNIOIGJBIEAD-VIFPVBQESA-N 1 0 241.291 -1.288 20 0 BAADRO O=C(NC1=NCC(=O)N1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000581308956 367336624 /nfs/dbraw/zinc/33/66/24/367336624.db2.gz PDJNUZAKZQZAMI-LDWIPMOCSA-N 1 0 222.248 -1.412 20 0 BAADRO O=C(NC1=NCC(=O)N1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000581308957 367336033 /nfs/dbraw/zinc/33/60/33/367336033.db2.gz PDJNUZAKZQZAMI-LHLIQPBNSA-N 1 0 222.248 -1.412 20 0 BAADRO O=C(NC1=NCC(=O)N1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000581308958 367336044 /nfs/dbraw/zinc/33/60/44/367336044.db2.gz PDJNUZAKZQZAMI-QUBYGPBYSA-N 1 0 222.248 -1.412 20 0 BAADRO O=C(NC1=NCC(=O)N1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000581308959 367336437 /nfs/dbraw/zinc/33/64/37/367336437.db2.gz PDJNUZAKZQZAMI-WKEGUHRASA-N 1 0 222.248 -1.412 20 0 BAADRO COCC(=O)N(C)CC(=O)NCC(C)(C)[NH3+] ZINC000581309417 367337103 /nfs/dbraw/zinc/33/71/03/367337103.db2.gz RYEPFRQNZZQMMS-UHFFFAOYSA-N 1 0 231.296 -1.055 20 0 BAADRO COC(=O)[C@H]1CN(CCOCC[NH3+])CCO1 ZINC000581311125 367339898 /nfs/dbraw/zinc/33/98/98/367339898.db2.gz DPMQUDLCXHFIBB-SECBINFHSA-N 1 0 232.280 -1.165 20 0 BAADRO COC(=O)[C@@H]1CN(CCOCC[NH3+])CCO1 ZINC000581311126 367339253 /nfs/dbraw/zinc/33/92/53/367339253.db2.gz DPMQUDLCXHFIBB-VIFPVBQESA-N 1 0 232.280 -1.165 20 0 BAADRO CC1(C(N)=O)C[NH+](CCN2CCNC2=O)C1 ZINC000581367738 367399324 /nfs/dbraw/zinc/39/93/24/367399324.db2.gz QKVXGDANVQGCLS-UHFFFAOYSA-N 1 0 226.280 -1.181 20 0 BAADRO [NH3+][C@H]1CCN(C(=O)CN2CCCNC2=O)C1 ZINC000581368886 367400027 /nfs/dbraw/zinc/40/00/27/367400027.db2.gz PAANJBMJXXLRQX-QMMMGPOBSA-N 1 0 226.280 -1.039 20 0 BAADRO CCOC(=O)CN(CC(N)=O)C(=O)C[NH3+] ZINC000581371004 367403111 /nfs/dbraw/zinc/40/31/11/367403111.db2.gz KLZHQUZXTZWZSS-UHFFFAOYSA-N 1 0 217.225 -2.178 20 0 BAADRO CC1(C(=O)NCc2cc(C(N)=O)no2)C[NH2+]C1 ZINC000581487535 367519023 /nfs/dbraw/zinc/51/90/23/367519023.db2.gz UAQAEVGKYQSMKC-UHFFFAOYSA-N 1 0 238.247 -1.001 20 0 BAADRO CN(Cc1nnnn1C)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000581489572 367520608 /nfs/dbraw/zinc/52/06/08/367520608.db2.gz OGDRNOCGUYKBQF-KNVOCYPGSA-N 1 0 224.268 -1.094 20 0 BAADRO C[NH2+]CCCNC(=O)CN(C)C(=O)COC ZINC000581547321 367575725 /nfs/dbraw/zinc/57/57/25/367575725.db2.gz RHRMTOZNSFRZCJ-UHFFFAOYSA-N 1 0 231.296 -1.183 20 0 BAADRO CN(CC[NH3+])C(=O)Cn1ncn(C)c1=O ZINC000581547555 367574716 /nfs/dbraw/zinc/57/47/16/367574716.db2.gz IWJAOFPMHQSZSK-UHFFFAOYSA-N 1 0 213.241 -2.001 20 0 BAADRO O=C(NCC1CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000581560185 367590731 /nfs/dbraw/zinc/59/07/31/367590731.db2.gz YXDHFBDTGHTJOQ-QMMMGPOBSA-N 1 0 211.265 -1.009 20 0 BAADRO C[C@H](CC[NH3+])NC(=O)CN1CCNCC1=O ZINC000581606751 367630480 /nfs/dbraw/zinc/63/04/80/367630480.db2.gz FZHUKUDXUSOKFU-MRVPVSSYSA-N 1 0 228.296 -1.728 20 0 BAADRO C[C@@H](CC[NH3+])NC(=O)CN1CCNCC1=O ZINC000581606752 367630600 /nfs/dbraw/zinc/63/06/00/367630600.db2.gz FZHUKUDXUSOKFU-QMMMGPOBSA-N 1 0 228.296 -1.728 20 0 BAADRO CCN(CC(=O)OC)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000581608471 367632072 /nfs/dbraw/zinc/63/20/72/367632072.db2.gz KUQYWRRSRWWPNM-JGVFFNPUSA-N 1 0 230.264 -1.269 20 0 BAADRO COC[C@@H](C)N(C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000581619179 367639087 /nfs/dbraw/zinc/63/90/87/367639087.db2.gz AWIUFZCIJQWUGZ-BDAKNGLRSA-N 1 0 243.307 -1.042 20 0 BAADRO COC[C@H](C)N(C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000581619180 367639527 /nfs/dbraw/zinc/63/95/27/367639527.db2.gz AWIUFZCIJQWUGZ-IUCAKERBSA-N 1 0 243.307 -1.042 20 0 BAADRO CC[NH2+][C@H](C)CNC(=O)CN1CCNCC1=O ZINC000581666141 367665513 /nfs/dbraw/zinc/66/55/13/367665513.db2.gz BPZFIWLFCCEMCR-SECBINFHSA-N 1 0 242.323 -1.468 20 0 BAADRO C[NH2+]CCN(C)C(=O)CN1CN=NC1=O ZINC000581666280 367666649 /nfs/dbraw/zinc/66/66/49/367666649.db2.gz PEUCXQSNEDUDHI-UHFFFAOYSA-N 1 0 213.241 -1.339 20 0 BAADRO C[NH2+]CCN(C)C(=O)CN1CCOCC1 ZINC000581668018 367698453 /nfs/dbraw/zinc/69/84/53/367698453.db2.gz XSDHXOFLWWUPHM-UHFFFAOYSA-N 1 0 215.297 -1.004 20 0 BAADRO COC(=O)CCN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000581677769 367707933 /nfs/dbraw/zinc/70/79/33/367707933.db2.gz NSLWMTZOIUQCPH-BDAKNGLRSA-N 1 0 241.291 -1.207 20 0 BAADRO COC(=O)CCN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000581677770 367707006 /nfs/dbraw/zinc/70/70/06/367707006.db2.gz NSLWMTZOIUQCPH-DTWKUNHWSA-N 1 0 241.291 -1.207 20 0 BAADRO COC(=O)CCN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000581677771 367707578 /nfs/dbraw/zinc/70/75/78/367707578.db2.gz NSLWMTZOIUQCPH-IUCAKERBSA-N 1 0 241.291 -1.207 20 0 BAADRO COC(=O)CCN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000581677772 367707789 /nfs/dbraw/zinc/70/77/89/367707789.db2.gz NSLWMTZOIUQCPH-RKDXNWHRSA-N 1 0 241.291 -1.207 20 0 BAADRO Cc1cc(NC(=O)CC[NH2+]C[C@@H](O)CO)no1 ZINC000581689222 412341521 /nfs/dbraw/zinc/34/15/21/412341521.db2.gz HFWNPCLBUUDJLC-MRVPVSSYSA-N 1 0 243.263 -0.746 20 0 BAADRO Cc1cc(NC(=O)CC[NH2+]C[C@H](O)CO)no1 ZINC000581689223 412343051 /nfs/dbraw/zinc/34/30/51/412343051.db2.gz HFWNPCLBUUDJLC-QMMMGPOBSA-N 1 0 243.263 -0.746 20 0 BAADRO CO[C@@H]1COC[C@H]1[NH2+]CCC(=O)NC(N)=O ZINC000581882684 367873911 /nfs/dbraw/zinc/87/39/11/367873911.db2.gz JTHMFWKKTVNDCG-RNFRBKRXSA-N 1 0 231.252 -1.425 20 0 BAADRO CC(C)NC(=O)CN(C)CC(=O)N[C@H](C)C[NH3+] ZINC000581883510 367873411 /nfs/dbraw/zinc/87/34/11/367873411.db2.gz JZXMKVKQVRENJE-SECBINFHSA-N 1 0 244.339 -1.094 20 0 BAADRO COC(=O)CN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000581922456 367923630 /nfs/dbraw/zinc/92/36/30/367923630.db2.gz MWZUNNIVSJOKCD-YUMQZZPRSA-N 1 0 202.254 -1.234 20 0 BAADRO CN(CC(=O)N(C)C1CC([NH3+])C1)S(C)(=O)=O ZINC000581943055 367970248 /nfs/dbraw/zinc/97/02/48/367970248.db2.gz KVQAASKARRKPRV-UHFFFAOYSA-N 1 0 249.336 -1.174 20 0 BAADRO CNC(=O)N[C@H]1CCN(C[C@](C)(O)C[NH2+]C)C1 ZINC000581948704 367975587 /nfs/dbraw/zinc/97/55/87/367975587.db2.gz YMCMVGYWUHTVCD-GXSJLCMTSA-N 1 0 244.339 -1.040 20 0 BAADRO CNC(=O)N[C@@H]1CCN(C[C@@](C)(O)C[NH2+]C)C1 ZINC000581948705 367975840 /nfs/dbraw/zinc/97/58/40/367975840.db2.gz YMCMVGYWUHTVCD-KOLCDFICSA-N 1 0 244.339 -1.040 20 0 BAADRO CNC(=O)N[C@@H]1CCN(C[C@](C)(O)C[NH2+]C)C1 ZINC000581948706 367976215 /nfs/dbraw/zinc/97/62/15/367976215.db2.gz YMCMVGYWUHTVCD-MWLCHTKSSA-N 1 0 244.339 -1.040 20 0 BAADRO CNC(=O)N[C@H]1CCN(C[C@@](C)(O)C[NH2+]C)C1 ZINC000581948707 367975201 /nfs/dbraw/zinc/97/52/01/367975201.db2.gz YMCMVGYWUHTVCD-ONGXEEELSA-N 1 0 244.339 -1.040 20 0 BAADRO NC(=O)[C@H]1CN(C(=O)CC[NH2+]C2CC2)CCO1 ZINC000581954421 368019786 /nfs/dbraw/zinc/01/97/86/368019786.db2.gz WXMPFQAQHNCJQM-SECBINFHSA-N 1 0 241.291 -1.159 20 0 BAADRO NC(=O)[C@@H]1CN(C(=O)CC[NH2+]C2CC2)CCO1 ZINC000581954422 368019587 /nfs/dbraw/zinc/01/95/87/368019587.db2.gz WXMPFQAQHNCJQM-VIFPVBQESA-N 1 0 241.291 -1.159 20 0 BAADRO C[C@H]1C(=O)NCCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000581993484 368082243 /nfs/dbraw/zinc/08/22/43/368082243.db2.gz ZYLFGUXAUZAUNJ-LURJTMIESA-N 1 0 240.263 -2.579 20 0 BAADRO C[C@@H]1C(=O)NCCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000581993485 368083710 /nfs/dbraw/zinc/08/37/10/368083710.db2.gz ZYLFGUXAUZAUNJ-ZCFIWIBFSA-N 1 0 240.263 -2.579 20 0 BAADRO COCCCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000582015069 368154452 /nfs/dbraw/zinc/15/44/52/368154452.db2.gz ZLBCFHIEENEKOG-QMMMGPOBSA-N 1 0 229.280 -1.383 20 0 BAADRO CN1CCN(C(=O)COC2C[NH2+]C2)CC1=O ZINC000582061007 347156917 /nfs/dbraw/zinc/15/69/17/347156917.db2.gz SYRPJWYGNNSTNY-UHFFFAOYSA-N 1 0 227.264 -1.725 20 0 BAADRO COCC(=O)N(C)CC(=O)N(C)[C@H](C)C[NH3+] ZINC000582061692 347155799 /nfs/dbraw/zinc/15/57/99/347155799.db2.gz MUGSEQBSRKSMFH-MRVPVSSYSA-N 1 0 231.296 -1.103 20 0 BAADRO COCC(=O)N(C)CC(=O)N(C)[C@@H](C)C[NH3+] ZINC000582061693 347156081 /nfs/dbraw/zinc/15/60/81/347156081.db2.gz MUGSEQBSRKSMFH-QMMMGPOBSA-N 1 0 231.296 -1.103 20 0 BAADRO CN(C)C[C@H](CO)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000582063364 347157575 /nfs/dbraw/zinc/15/75/75/347157575.db2.gz ZDGHXKALVQTPEW-GHMZBOCLSA-N 1 0 242.323 -1.244 20 0 BAADRO CN(C)C[C@H](CO)[NH2+]C[C@H](O)Cn1cccn1 ZINC000582063365 347157328 /nfs/dbraw/zinc/15/73/28/347157328.db2.gz ZDGHXKALVQTPEW-MNOVXSKESA-N 1 0 242.323 -1.244 20 0 BAADRO CN(C)C[C@@H](CO)[NH2+]C[C@H](O)Cn1cccn1 ZINC000582063366 347157694 /nfs/dbraw/zinc/15/76/94/347157694.db2.gz ZDGHXKALVQTPEW-QWRGUYRKSA-N 1 0 242.323 -1.244 20 0 BAADRO CN(C)C[C@@H](CO)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000582063367 347157457 /nfs/dbraw/zinc/15/74/57/347157457.db2.gz ZDGHXKALVQTPEW-WDEREUQCSA-N 1 0 242.323 -1.244 20 0 BAADRO C[C@@H]1C[NH2+]CCN1C(=O)Cn1ncn(C)c1=O ZINC000582121649 347392121 /nfs/dbraw/zinc/39/21/21/347392121.db2.gz YUTJJARXJRZGAG-MRVPVSSYSA-N 1 0 239.279 -1.598 20 0 BAADRO COC[C@@H](NC(=O)C(=O)NC1C[NH2+]C1)C(C)C ZINC000582171901 355523114 /nfs/dbraw/zinc/52/31/14/355523114.db2.gz WVFMQVXILLRYPI-SECBINFHSA-N 1 0 243.307 -1.138 20 0 BAADRO COC[C@H](NC(=O)C(=O)NC1C[NH2+]C1)C(C)C ZINC000582171902 355523302 /nfs/dbraw/zinc/52/33/02/355523302.db2.gz WVFMQVXILLRYPI-VIFPVBQESA-N 1 0 243.307 -1.138 20 0 BAADRO C[C@H](CCC[NH3+])NC(=O)CN1CCNCC1=O ZINC000582240769 356670761 /nfs/dbraw/zinc/67/07/61/356670761.db2.gz KYLZQCGLTBBLFU-SECBINFHSA-N 1 0 242.323 -1.338 20 0 BAADRO C[C@@H](CCC[NH3+])NC(=O)CN1CCNCC1=O ZINC000582240770 356671204 /nfs/dbraw/zinc/67/12/04/356671204.db2.gz KYLZQCGLTBBLFU-VIFPVBQESA-N 1 0 242.323 -1.338 20 0 BAADRO CC(C)([NH3+])CN1CCN(CC(N)=O)C(=O)C1 ZINC000582241299 356671849 /nfs/dbraw/zinc/67/18/49/356671849.db2.gz LGKUXCSBMUOUMO-UHFFFAOYSA-N 1 0 228.296 -1.647 20 0 BAADRO [NH3+][C@H]1C[C@@H](C(=O)N2CCN3C(=O)NC[C@@H]3C2)C1 ZINC000582301964 357040226 /nfs/dbraw/zinc/04/02/26/357040226.db2.gz KVBGYWDIALFYMZ-HRDYMLBCSA-N 1 0 238.291 -1.040 20 0 BAADRO [NH3+][C@H]1C[C@@H](C(=O)N2CCN3C(=O)NC[C@H]3C2)C1 ZINC000582301965 357040159 /nfs/dbraw/zinc/04/01/59/357040159.db2.gz KVBGYWDIALFYMZ-YIZRAAEISA-N 1 0 238.291 -1.040 20 0 BAADRO CC(=O)NCC[N@@H+](C)[C@H]1COC[C@H]1O ZINC000582358287 357101624 /nfs/dbraw/zinc/10/16/24/357101624.db2.gz PGAKIYJYCMSCEZ-DTWKUNHWSA-N 1 0 202.254 -1.186 20 0 BAADRO CC(=O)NCC[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000582358288 357101579 /nfs/dbraw/zinc/10/15/79/357101579.db2.gz PGAKIYJYCMSCEZ-RKDXNWHRSA-N 1 0 202.254 -1.186 20 0 BAADRO CCOCC[C@@H](O)C[NH2+]C[C@H](O)CO ZINC000582360095 357103949 /nfs/dbraw/zinc/10/39/49/357103949.db2.gz AHPQMVYDBQZUFS-BDAKNGLRSA-N 1 0 207.270 -1.283 20 0 BAADRO CCOCC[C@H](O)C[NH2+]C[C@@H](O)CO ZINC000582360096 357103919 /nfs/dbraw/zinc/10/39/19/357103919.db2.gz AHPQMVYDBQZUFS-DTWKUNHWSA-N 1 0 207.270 -1.283 20 0 BAADRO CCOCC[C@H](O)C[NH2+]C[C@H](O)CO ZINC000582360097 357104365 /nfs/dbraw/zinc/10/43/65/357104365.db2.gz AHPQMVYDBQZUFS-IUCAKERBSA-N 1 0 207.270 -1.283 20 0 BAADRO CCOCC[C@@H](O)C[NH2+]C[C@@H](O)CO ZINC000582360098 357104379 /nfs/dbraw/zinc/10/43/79/357104379.db2.gz AHPQMVYDBQZUFS-RKDXNWHRSA-N 1 0 207.270 -1.283 20 0 BAADRO COC(=O)CN(CC[NH3+])CCN1CCOCC1 ZINC000582360747 357105140 /nfs/dbraw/zinc/10/51/40/357105140.db2.gz FZZXWDFUPFMYSN-UHFFFAOYSA-N 1 0 245.323 -1.248 20 0 BAADRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000582366236 357107530 /nfs/dbraw/zinc/10/75/30/357107530.db2.gz HAIAVXLKTFEURK-SSDOTTSWSA-N 1 0 242.279 -2.250 20 0 BAADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@H](O)C1 ZINC000582371661 357114466 /nfs/dbraw/zinc/11/44/66/357114466.db2.gz HNTXVCDAGHGKDK-IUCAKERBSA-N 1 0 241.291 -1.552 20 0 BAADRO CC[NH2+][C@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC000582415461 357140728 /nfs/dbraw/zinc/14/07/28/357140728.db2.gz WKNPODVITGJATR-MRVPVSSYSA-N 1 0 241.295 -1.304 20 0 BAADRO CC[C@H]([NH3+])C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000582419119 357142747 /nfs/dbraw/zinc/14/27/47/357142747.db2.gz KTPUEUSBFDIKTM-ZETCQYMHSA-N 1 0 239.279 -1.007 20 0 BAADRO COCCNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000582483654 357317836 /nfs/dbraw/zinc/31/78/36/357317836.db2.gz YDUMZPXWHSLYRL-LURJTMIESA-N 1 0 204.226 -1.361 20 0 BAADRO CCOC(=O)CN(C)C(=O)C[NH2+]C(CO)CO ZINC000582554687 357343326 /nfs/dbraw/zinc/34/33/26/357343326.db2.gz UBYRGCDYVPBBME-UHFFFAOYSA-N 1 0 248.279 -2.049 20 0 BAADRO C[C@@H]1COCCN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000582558139 357344351 /nfs/dbraw/zinc/34/43/51/357344351.db2.gz ODBVAXPVJWTFGX-BDAKNGLRSA-N 1 0 241.291 -1.288 20 0 BAADRO CCN(CC(N)=O)C[C@@H](O)C[N@H+](C)CCOC ZINC000582584541 631912831 /nfs/dbraw/zinc/91/28/31/631912831.db2.gz UOKUZZMJYNDETI-JTQLQIEISA-N 1 0 247.339 -1.267 20 0 BAADRO CCN(CC(N)=O)C[C@H](O)C[N@H+](C)CCOC ZINC000582584542 631912403 /nfs/dbraw/zinc/91/24/03/631912403.db2.gz UOKUZZMJYNDETI-SNVBAGLBSA-N 1 0 247.339 -1.267 20 0 BAADRO O=C(COC1C[NH2+]C1)NC1=NCC(=O)N1 ZINC000582664972 357357835 /nfs/dbraw/zinc/35/78/35/357357835.db2.gz VWGZGRQZDLJGDG-UHFFFAOYSA-N 1 0 212.209 -2.423 20 0 BAADRO C[NH+](C)[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC000582736165 357376824 /nfs/dbraw/zinc/37/68/24/357376824.db2.gz SYDOMZGFIPKXKT-BQBZGAKWSA-N 1 0 225.252 -1.448 20 0 BAADRO C[NH2+][C@@H]1CCN(C(=O)CN(C)C(=O)COC)C1 ZINC000582780341 357390467 /nfs/dbraw/zinc/39/04/67/357390467.db2.gz VHJPYXDTPZHSCI-SECBINFHSA-N 1 0 243.307 -1.089 20 0 BAADRO C[NH2+][C@H]1CCN(C(=O)CN(C)C(=O)COC)C1 ZINC000582780343 357390767 /nfs/dbraw/zinc/39/07/67/357390767.db2.gz VHJPYXDTPZHSCI-VIFPVBQESA-N 1 0 243.307 -1.089 20 0 BAADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CS(=O)(=O)N(C)C ZINC000582784964 357392400 /nfs/dbraw/zinc/39/24/00/357392400.db2.gz MNJXTNALUGENAB-YUMQZZPRSA-N 1 0 249.336 -1.174 20 0 BAADRO CC(C)NC(=O)NCC[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC000582842699 357414198 /nfs/dbraw/zinc/41/41/98/357414198.db2.gz IYASRNWLRNEGJQ-NXEZZACHSA-N 1 0 245.323 -1.021 20 0 BAADRO CC(C)NC(=O)NCC[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC000582842701 357413843 /nfs/dbraw/zinc/41/38/43/357413843.db2.gz IYASRNWLRNEGJQ-UWVGGRQHSA-N 1 0 245.323 -1.021 20 0 BAADRO CC(C)NC(=O)NCC[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC000582842702 357414056 /nfs/dbraw/zinc/41/40/56/357414056.db2.gz IYASRNWLRNEGJQ-VHSXEESVSA-N 1 0 245.323 -1.021 20 0 BAADRO CC(C)NC(=O)NCC[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000582842704 357414178 /nfs/dbraw/zinc/41/41/78/357414178.db2.gz IYASRNWLRNEGJQ-ZJUUUORDSA-N 1 0 245.323 -1.021 20 0 BAADRO CC(=O)NCCN(C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000582843919 357414918 /nfs/dbraw/zinc/41/49/18/357414918.db2.gz GYDAGNJWULPPSB-MYJAWHEDSA-N 1 0 240.307 -1.018 20 0 BAADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1=NCC(=O)N1 ZINC000582844002 357414813 /nfs/dbraw/zinc/41/48/13/357414813.db2.gz MTPBRMQGUVWHRH-BQBZGAKWSA-N 1 0 224.264 -1.024 20 0 BAADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NC1=NCC(=O)N1 ZINC000582844003 357414818 /nfs/dbraw/zinc/41/48/18/357414818.db2.gz MTPBRMQGUVWHRH-NKWVEPMBSA-N 1 0 224.264 -1.024 20 0 BAADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NC1=NCC(=O)N1 ZINC000582844004 357415078 /nfs/dbraw/zinc/41/50/78/357415078.db2.gz MTPBRMQGUVWHRH-RNFRBKRXSA-N 1 0 224.264 -1.024 20 0 BAADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC1=NCC(=O)N1 ZINC000582844005 357414936 /nfs/dbraw/zinc/41/49/36/357414936.db2.gz MTPBRMQGUVWHRH-RQJHMYQMSA-N 1 0 224.264 -1.024 20 0 BAADRO C[C@@H](C[NH3+])CNC(=O)CN1CN=NC1=O ZINC000582844301 357415039 /nfs/dbraw/zinc/41/50/39/357415039.db2.gz GRGWKYNVLOIIKC-LURJTMIESA-N 1 0 213.241 -1.305 20 0 BAADRO C[C@H](C[NH3+])CNC(=O)CN1CN=NC1=O ZINC000582844302 357414966 /nfs/dbraw/zinc/41/49/66/357414966.db2.gz GRGWKYNVLOIIKC-ZCFIWIBFSA-N 1 0 213.241 -1.305 20 0 BAADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCOCC(N)=O ZINC000582846524 357409996 /nfs/dbraw/zinc/40/99/96/357409996.db2.gz SBYQHHDJDJIXEZ-BDAKNGLRSA-N 1 0 243.307 -1.007 20 0 BAADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCOCC(N)=O ZINC000582846528 357410931 /nfs/dbraw/zinc/41/09/31/357410931.db2.gz SBYQHHDJDJIXEZ-DTWKUNHWSA-N 1 0 243.307 -1.007 20 0 BAADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCOCC(N)=O ZINC000582846529 357410461 /nfs/dbraw/zinc/41/04/61/357410461.db2.gz SBYQHHDJDJIXEZ-IUCAKERBSA-N 1 0 243.307 -1.007 20 0 BAADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCOCC(N)=O ZINC000582846530 357410432 /nfs/dbraw/zinc/41/04/32/357410432.db2.gz SBYQHHDJDJIXEZ-RKDXNWHRSA-N 1 0 243.307 -1.007 20 0 BAADRO C[NH+](C)[C@H]1CN(C(=O)[C@@H]2CNC(=O)C2)C[C@@H]1O ZINC000582855252 357420325 /nfs/dbraw/zinc/42/03/25/357420325.db2.gz MIUOCMCVZVFNSS-CIUDSAMLSA-N 1 0 241.291 -1.744 20 0 BAADRO C[NH+](C)[C@H]1CN(C(=O)[C@H]2CNC(=O)C2)C[C@@H]1O ZINC000582855253 357420286 /nfs/dbraw/zinc/42/02/86/357420286.db2.gz MIUOCMCVZVFNSS-VGMNWLOBSA-N 1 0 241.291 -1.744 20 0 BAADRO COCCN(C(=O)C(=O)NC1C[NH2+]C1)C1CC1 ZINC000582955095 357444061 /nfs/dbraw/zinc/44/40/61/357444061.db2.gz WZYAPVDTAULPLK-UHFFFAOYSA-N 1 0 241.291 -1.288 20 0 BAADRO C[NH2+]C[C@@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC000582962941 357439745 /nfs/dbraw/zinc/43/97/45/357439745.db2.gz HHOCBZOXRDQRTL-MRVPVSSYSA-N 1 0 241.295 -1.447 20 0 BAADRO C[NH2+]C[C@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC000582962944 357439180 /nfs/dbraw/zinc/43/91/80/357439180.db2.gz HHOCBZOXRDQRTL-QMMMGPOBSA-N 1 0 241.295 -1.447 20 0 BAADRO C[C@H]1C[C@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000583015064 357461541 /nfs/dbraw/zinc/46/15/41/357461541.db2.gz MGHONIWWTQJWBL-BQBZGAKWSA-N 1 0 211.265 -1.153 20 0 BAADRO C[C@H]1C[C@@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000583015065 357461194 /nfs/dbraw/zinc/46/11/94/357461194.db2.gz MGHONIWWTQJWBL-NKWVEPMBSA-N 1 0 211.265 -1.153 20 0 BAADRO C[C@@H]1C[C@@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000583015066 357461637 /nfs/dbraw/zinc/46/16/37/357461637.db2.gz MGHONIWWTQJWBL-RNFRBKRXSA-N 1 0 211.265 -1.153 20 0 BAADRO C[C@@H]1C[C@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000583015067 357461693 /nfs/dbraw/zinc/46/16/93/357461693.db2.gz MGHONIWWTQJWBL-RQJHMYQMSA-N 1 0 211.265 -1.153 20 0 BAADRO [NH3+][C@@H]1CCCN(C(=O)CN2CN=NC2=O)C1 ZINC000583023670 357452520 /nfs/dbraw/zinc/45/25/20/357452520.db2.gz DASAGUYTPPDRAA-SSDOTTSWSA-N 1 0 225.252 -1.067 20 0 BAADRO COC(=O)[C@H]1[C@H](O)CCCN1C(=O)C[NH3+] ZINC000583025875 357459567 /nfs/dbraw/zinc/45/95/67/357459567.db2.gz CBKHKKZWSKAHFO-HTRCEHHLSA-N 1 0 216.237 -1.530 20 0 BAADRO COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)C[NH3+] ZINC000583025882 357459263 /nfs/dbraw/zinc/45/92/63/357459263.db2.gz CBKHKKZWSKAHFO-POYBYMJQSA-N 1 0 216.237 -1.530 20 0 BAADRO COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C[NH3+] ZINC000583025883 357459205 /nfs/dbraw/zinc/45/92/05/357459205.db2.gz CBKHKKZWSKAHFO-SVRRBLITSA-N 1 0 216.237 -1.530 20 0 BAADRO COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C[NH3+] ZINC000583025884 357459687 /nfs/dbraw/zinc/45/96/87/357459687.db2.gz CBKHKKZWSKAHFO-XPUUQOCRSA-N 1 0 216.237 -1.530 20 0 BAADRO CC[C@H]([NH3+])CNC(=O)CS(=O)(=O)NC ZINC000583026349 357451491 /nfs/dbraw/zinc/45/14/91/357451491.db2.gz YWTQBGSKOOFVJD-LURJTMIESA-N 1 0 223.298 -1.611 20 0 BAADRO CC[C@@H]([NH3+])CNC(=O)CS(=O)(=O)NC ZINC000583026350 357451497 /nfs/dbraw/zinc/45/14/97/357451497.db2.gz YWTQBGSKOOFVJD-ZCFIWIBFSA-N 1 0 223.298 -1.611 20 0 BAADRO C[NH+](C)[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1O ZINC000583052280 357462421 /nfs/dbraw/zinc/46/24/21/357462421.db2.gz BOPZUOZODXFZJK-YUMQZZPRSA-N 1 0 240.267 -2.194 20 0 BAADRO CCS(=O)(=O)NCC(=O)N[C@H](C)CC[NH3+] ZINC000583082940 357474286 /nfs/dbraw/zinc/47/42/86/357474286.db2.gz RZKJNTIBUXUQAH-SSDOTTSWSA-N 1 0 237.325 -1.221 20 0 BAADRO CCS(=O)(=O)NCC(=O)N[C@@H](C)CC[NH3+] ZINC000583082941 357474090 /nfs/dbraw/zinc/47/40/90/357474090.db2.gz RZKJNTIBUXUQAH-ZETCQYMHSA-N 1 0 237.325 -1.221 20 0 BAADRO CC(C)(C[NH3+])NC(=O)CN1CN=NC1=O ZINC000583143503 357493975 /nfs/dbraw/zinc/49/39/75/357493975.db2.gz NRQXQEINOGUIQB-UHFFFAOYSA-N 1 0 213.241 -1.163 20 0 BAADRO C[NH2+]CC(=O)N1CCOC[C@@H]1C(=O)OC ZINC000583145298 357493732 /nfs/dbraw/zinc/49/37/32/357493732.db2.gz CJBFDKURMSATID-SSDOTTSWSA-N 1 0 216.237 -1.394 20 0 BAADRO C[NH2+]CC(=O)N1CCOC[C@H]1C(=O)OC ZINC000583145303 357493989 /nfs/dbraw/zinc/49/39/89/357493989.db2.gz CJBFDKURMSATID-ZETCQYMHSA-N 1 0 216.237 -1.394 20 0 BAADRO C[NH+](C)[C@H]1CN(CC(=O)N2CCC2)C[C@@H]1O ZINC000583182142 357510751 /nfs/dbraw/zinc/51/07/51/357510751.db2.gz CLIQNBHRNAZJCR-UWVGGRQHSA-N 1 0 227.308 -1.175 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000583201718 357517714 /nfs/dbraw/zinc/51/77/14/357517714.db2.gz JDCCTDJHDBGXIX-HTQZYQBOSA-N 1 0 249.336 -1.256 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000583201719 357517695 /nfs/dbraw/zinc/51/76/95/357517695.db2.gz JDCCTDJHDBGXIX-JGVFFNPUSA-N 1 0 249.336 -1.256 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000583201720 357517033 /nfs/dbraw/zinc/51/70/33/357517033.db2.gz JDCCTDJHDBGXIX-SFYZADRCSA-N 1 0 249.336 -1.256 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000583201721 357518045 /nfs/dbraw/zinc/51/80/45/357518045.db2.gz JDCCTDJHDBGXIX-YUMQZZPRSA-N 1 0 249.336 -1.256 20 0 BAADRO CS(=O)(=O)NCCC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000583321133 357903447 /nfs/dbraw/zinc/90/34/47/357903447.db2.gz MILNPJSFWBLSKJ-MRVPVSSYSA-N 1 0 249.336 -1.125 20 0 BAADRO CCOCC[C@@H](O)C[NH2+]C[C@H](O)C(=O)OC ZINC000583322595 357904041 /nfs/dbraw/zinc/90/40/41/357904041.db2.gz PMPANELCQKDGGP-BDAKNGLRSA-N 1 0 235.280 -1.103 20 0 BAADRO CCOCC[C@H](O)C[NH2+]C[C@H](O)C(=O)OC ZINC000583322596 357904423 /nfs/dbraw/zinc/90/44/23/357904423.db2.gz PMPANELCQKDGGP-IUCAKERBSA-N 1 0 235.280 -1.103 20 0 BAADRO COC(=O)C[C@@H]1C(=O)NCCN1C[C@@H](C)[NH3+] ZINC000583323051 357904888 /nfs/dbraw/zinc/90/48/88/357904888.db2.gz XOZPVKDVVVLLRA-HTQZYQBOSA-N 1 0 229.280 -1.303 20 0 BAADRO COC(=O)C[C@@H]1C(=O)NCCN1C[C@H](C)[NH3+] ZINC000583323052 357905202 /nfs/dbraw/zinc/90/52/02/357905202.db2.gz XOZPVKDVVVLLRA-JGVFFNPUSA-N 1 0 229.280 -1.303 20 0 BAADRO COC(=O)C[C@H]1C(=O)NCCN1C[C@@H](C)[NH3+] ZINC000583323053 357905115 /nfs/dbraw/zinc/90/51/15/357905115.db2.gz XOZPVKDVVVLLRA-SFYZADRCSA-N 1 0 229.280 -1.303 20 0 BAADRO COC(=O)C[C@H]1C(=O)NCCN1C[C@H](C)[NH3+] ZINC000583323054 357904777 /nfs/dbraw/zinc/90/47/77/357904777.db2.gz XOZPVKDVVVLLRA-YUMQZZPRSA-N 1 0 229.280 -1.303 20 0 BAADRO CC(=O)[C@@](C)(O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C)C1 ZINC000583389088 344874429 /nfs/dbraw/zinc/87/44/29/344874429.db2.gz AGSBLNLAQUTEGW-DCAQKATOSA-N 1 0 230.308 -1.067 20 0 BAADRO CC(=O)[C@](C)(O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C)C1 ZINC000583389089 344874656 /nfs/dbraw/zinc/87/46/56/344874656.db2.gz AGSBLNLAQUTEGW-GARJFASQSA-N 1 0 230.308 -1.067 20 0 BAADRO Cn1[nH]cnc1=NC(=O)N[C@H]1CC[NH2+]C1 ZINC000583451983 344997761 /nfs/dbraw/zinc/99/77/61/344997761.db2.gz OUHBJTFGDBZVPN-LURJTMIESA-N 1 0 210.241 -1.280 20 0 BAADRO COCC(=O)N(C)CC(=O)N1CC[NH2+]C[C@H]1C ZINC000583499143 355332516 /nfs/dbraw/zinc/33/25/16/355332516.db2.gz RERKCPNAASOKSB-SECBINFHSA-N 1 0 243.307 -1.089 20 0 BAADRO O=C(COC1C[NH2+]C1)NCCn1cccn1 ZINC000583562520 355612578 /nfs/dbraw/zinc/61/25/78/355612578.db2.gz XIGDXJVMQZCKGJ-UHFFFAOYSA-N 1 0 224.264 -1.012 20 0 BAADRO CCS(=O)(=O)NCC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000583563289 355613502 /nfs/dbraw/zinc/61/35/02/355613502.db2.gz NCORYPBRPYQFIJ-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO C[C@@H](O)[C@@H](CO)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000583631139 355941894 /nfs/dbraw/zinc/94/18/94/355941894.db2.gz KTNWSLSNGJDCRZ-DVVUODLYSA-N 1 0 232.324 -1.227 20 0 BAADRO C[C@@H](O)[C@@H](CO)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000583631140 355941513 /nfs/dbraw/zinc/94/15/13/355941513.db2.gz KTNWSLSNGJDCRZ-FBIMIBRVSA-N 1 0 232.324 -1.227 20 0 BAADRO COC(=O)C[C@@H]1CN(C(=O)C[NH3+])CCO1 ZINC000583632068 355941708 /nfs/dbraw/zinc/94/17/08/355941708.db2.gz MPHKFDBNBKNLTL-SSDOTTSWSA-N 1 0 216.237 -1.264 20 0 BAADRO COC(=O)C[C@H]1CN(C(=O)C[NH3+])CCO1 ZINC000583632069 355941884 /nfs/dbraw/zinc/94/18/84/355941884.db2.gz MPHKFDBNBKNLTL-ZETCQYMHSA-N 1 0 216.237 -1.264 20 0 BAADRO CO[C@]1(C[NH2+]CCC(=O)NC(N)=O)CCOC1 ZINC000583689479 357120960 /nfs/dbraw/zinc/12/09/60/357120960.db2.gz SZFUBJVTIJEPQL-JTQLQIEISA-N 1 0 245.279 -1.034 20 0 BAADRO CO[C@@]1(C[NH2+]CCC(=O)NC(N)=O)CCOC1 ZINC000583689480 357120846 /nfs/dbraw/zinc/12/08/46/357120846.db2.gz SZFUBJVTIJEPQL-SNVBAGLBSA-N 1 0 245.279 -1.034 20 0 BAADRO O=C1CN(CC[NH2+]CC2(O)CCC2)CCN1 ZINC000583689542 357120984 /nfs/dbraw/zinc/12/09/84/357120984.db2.gz XLRMLKYMCBVAMP-UHFFFAOYSA-N 1 0 227.308 -1.077 20 0 BAADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]CCC(N)=O ZINC000583807210 357954750 /nfs/dbraw/zinc/95/47/50/357954750.db2.gz CWCMAXMOAOHDRR-MRVPVSSYSA-N 1 0 249.336 -1.125 20 0 BAADRO CNS(=O)(=O)CC[NH2+][C@@H](C)[C@H](C)O ZINC000583867907 358058737 /nfs/dbraw/zinc/05/87/37/358058737.db2.gz UKMMRVRGAHOLAM-BQBZGAKWSA-N 1 0 210.299 -1.106 20 0 BAADRO CNS(=O)(=O)CC[NH2+][C@@H](C)[C@@H](C)O ZINC000583867908 358059051 /nfs/dbraw/zinc/05/90/51/358059051.db2.gz UKMMRVRGAHOLAM-NKWVEPMBSA-N 1 0 210.299 -1.106 20 0 BAADRO CNS(=O)(=O)CC[NH2+][C@H](C)[C@@H](C)O ZINC000583867909 358059092 /nfs/dbraw/zinc/05/90/92/358059092.db2.gz UKMMRVRGAHOLAM-RNFRBKRXSA-N 1 0 210.299 -1.106 20 0 BAADRO CNS(=O)(=O)CC[NH2+][C@H](C)[C@H](C)O ZINC000583867910 358058757 /nfs/dbraw/zinc/05/87/57/358058757.db2.gz UKMMRVRGAHOLAM-RQJHMYQMSA-N 1 0 210.299 -1.106 20 0 BAADRO CCS(=O)(=O)NCC(=O)NCCC[NH2+]C ZINC000583870581 358076564 /nfs/dbraw/zinc/07/65/64/358076564.db2.gz BJIKQESJTDTBDC-UHFFFAOYSA-N 1 0 237.325 -1.349 20 0 BAADRO CO[C@H](C[NH3+])C(=O)NCCN1CCO[C@H](C)C1 ZINC000583874544 358085416 /nfs/dbraw/zinc/08/54/16/358085416.db2.gz XOYIICWWUDDEMX-NXEZZACHSA-N 1 0 245.323 -1.203 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)NCCN1CCO[C@@H](C)C1 ZINC000583874545 358085466 /nfs/dbraw/zinc/08/54/66/358085466.db2.gz XOYIICWWUDDEMX-UWVGGRQHSA-N 1 0 245.323 -1.203 20 0 BAADRO CO[C@H](C[NH3+])C(=O)NCCN1CCO[C@@H](C)C1 ZINC000583874546 358085809 /nfs/dbraw/zinc/08/58/09/358085809.db2.gz XOYIICWWUDDEMX-VHSXEESVSA-N 1 0 245.323 -1.203 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)NCCN1CCO[C@H](C)C1 ZINC000583874547 358085629 /nfs/dbraw/zinc/08/56/29/358085629.db2.gz XOYIICWWUDDEMX-ZJUUUORDSA-N 1 0 245.323 -1.203 20 0 BAADRO CC(C)NC(=O)NCC[NH2+]C(CO)CO ZINC000583880407 358114123 /nfs/dbraw/zinc/11/41/23/358114123.db2.gz WTBZXCGFPGIEAE-UHFFFAOYSA-N 1 0 219.285 -1.363 20 0 BAADRO C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000583933719 342728380 /nfs/dbraw/zinc/72/83/80/342728380.db2.gz PNCXQZGIDYWHOH-CIUDSAMLSA-N 1 0 241.291 -1.160 20 0 BAADRO C[C@H]1C[NH2+]CCN1C(=O)[C@H]1CC[C@H](C(N)=O)O1 ZINC000583933720 342728325 /nfs/dbraw/zinc/72/83/25/342728325.db2.gz PNCXQZGIDYWHOH-DJLDLDEBSA-N 1 0 241.291 -1.160 20 0 BAADRO C[C@H]1C[NH2+]CCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000583933721 342728289 /nfs/dbraw/zinc/72/82/89/342728289.db2.gz PNCXQZGIDYWHOH-XHNCKOQMSA-N 1 0 241.291 -1.160 20 0 BAADRO C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000583933722 342728355 /nfs/dbraw/zinc/72/83/55/342728355.db2.gz PNCXQZGIDYWHOH-YIZRAAEISA-N 1 0 241.291 -1.160 20 0 BAADRO CN(C)S(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000583993477 342853984 /nfs/dbraw/zinc/85/39/84/342853984.db2.gz GACYWNAUQJPVCK-QMSLJYSESA-N 1 0 247.320 -1.788 20 0 BAADRO O[C@@H]1COC[C@@H]1N1CCN2CCOC[C@@H]2C1 ZINC000584027636 342985802 /nfs/dbraw/zinc/98/58/02/342985802.db2.gz UUHBWSGJDOONFS-GARJFASQSA-N 1 0 228.292 -1.238 20 0 BAADRO O[C@@H]1COC[C@H]1N1CCN2CCOC[C@H]2C1 ZINC000584027637 342985647 /nfs/dbraw/zinc/98/56/47/342985647.db2.gz UUHBWSGJDOONFS-GMTAPVOTSA-N 1 0 228.292 -1.238 20 0 BAADRO O[C@@H]1COC[C@H]1N1CCN2CCOC[C@@H]2C1 ZINC000584027638 342985828 /nfs/dbraw/zinc/98/58/28/342985828.db2.gz UUHBWSGJDOONFS-HBNTYKKESA-N 1 0 228.292 -1.238 20 0 BAADRO O[C@@H]1COC[C@@H]1N1CCN2CCOC[C@H]2C1 ZINC000584027639 342985870 /nfs/dbraw/zinc/98/58/70/342985870.db2.gz UUHBWSGJDOONFS-OUAUKWLOSA-N 1 0 228.292 -1.238 20 0 BAADRO COC[C@@H](O)C[NH2+]CCN1CCNC(=O)C1 ZINC000584049304 343306883 /nfs/dbraw/zinc/30/68/83/343306883.db2.gz RIJDCWDUNIYQME-VIFPVBQESA-N 1 0 231.296 -1.985 20 0 BAADRO CO[C@@H]1COC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC000584051402 343306752 /nfs/dbraw/zinc/30/67/52/343306752.db2.gz XLOKAFHLGLLKRY-NXEZZACHSA-N 1 0 244.291 -1.151 20 0 BAADRO CN(C)S(=O)(=O)CC(=O)NCC1([NH3+])CCC1 ZINC000584111808 343696146 /nfs/dbraw/zinc/69/61/46/343696146.db2.gz WTLRVTPWHVCBBO-UHFFFAOYSA-N 1 0 249.336 -1.125 20 0 BAADRO C[NH+](C)[C@H]1CN(Cc2nccc(N)n2)C[C@@H]1O ZINC000584121556 411842287 /nfs/dbraw/zinc/84/22/87/411842287.db2.gz PWIKOPSEFAVFIJ-IUCAKERBSA-N 1 0 237.307 -0.835 20 0 BAADRO C[NH2+]C[C@@](C)(O)CN1CC(=O)N[C@H](C)C1 ZINC000584123911 343763155 /nfs/dbraw/zinc/76/31/55/343763155.db2.gz NFIUMIILWPHSGL-PSASIEDQSA-N 1 0 215.297 -1.223 20 0 BAADRO C[NH2+]C[C@](C)(O)CN1CC(=O)N[C@H](C)C1 ZINC000584123912 343763066 /nfs/dbraw/zinc/76/30/66/343763066.db2.gz NFIUMIILWPHSGL-SCZZXKLOSA-N 1 0 215.297 -1.223 20 0 BAADRO C[NH2+]C[C@@](C)(O)CN1CC(=O)N[C@@H](C)C1 ZINC000584123913 343763073 /nfs/dbraw/zinc/76/30/73/343763073.db2.gz NFIUMIILWPHSGL-WCBMZHEXSA-N 1 0 215.297 -1.223 20 0 BAADRO C[NH2+]C[C@](C)(O)CN1CC(=O)N[C@@H](C)C1 ZINC000584123914 343763138 /nfs/dbraw/zinc/76/31/38/343763138.db2.gz NFIUMIILWPHSGL-WPRPVWTQSA-N 1 0 215.297 -1.223 20 0 BAADRO C[C@H](O)C[NH2+]CCN1CCNC(=O)C1 ZINC000584227975 343775459 /nfs/dbraw/zinc/77/54/59/343775459.db2.gz VONFSFNLDQRGIJ-QMMMGPOBSA-N 1 0 201.270 -1.611 20 0 BAADRO COCCOC[C@H](O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000584229878 343776089 /nfs/dbraw/zinc/77/60/89/343776089.db2.gz WKOOMHQYNARXSZ-SECBINFHSA-N 1 0 246.307 -1.183 20 0 BAADRO COCCOC[C@@H](O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000584229879 343776157 /nfs/dbraw/zinc/77/61/57/343776157.db2.gz WKOOMHQYNARXSZ-VIFPVBQESA-N 1 0 246.307 -1.183 20 0 BAADRO C[C@H](C[NH3+])NC(=O)CCS(=O)(=O)N(C)C ZINC000584232614 343776571 /nfs/dbraw/zinc/77/65/71/343776571.db2.gz DPXVNKGOKKYNKH-SSDOTTSWSA-N 1 0 237.325 -1.269 20 0 BAADRO C[NH2+][C@@H](C)C(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000584242454 344013662 /nfs/dbraw/zinc/01/36/62/344013662.db2.gz USOKGBSQXPWKAH-JGVFFNPUSA-N 1 0 249.336 -1.126 20 0 BAADRO C[NH2+][C@@H](C)C(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000584242456 344013610 /nfs/dbraw/zinc/01/36/10/344013610.db2.gz USOKGBSQXPWKAH-YUMQZZPRSA-N 1 0 249.336 -1.126 20 0 BAADRO CN(C)S(=O)(=O)CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000584350177 356062154 /nfs/dbraw/zinc/06/21/54/356062154.db2.gz UTXDGQJXKZHIDS-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO [NH3+][C@H]1C[C@@H](C(=O)NCC(=O)N2CCOCC2)C1 ZINC000584351819 356080973 /nfs/dbraw/zinc/08/09/73/356080973.db2.gz NAPFTTPKLANBAY-DTORHVGOSA-N 1 0 241.291 -1.301 20 0 BAADRO CCS(=O)(=O)NCC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000584408335 357913275 /nfs/dbraw/zinc/91/32/75/357913275.db2.gz BZJDPTHIZLPGCR-MRVPVSSYSA-N 1 0 249.336 -1.221 20 0 BAADRO CCS(=O)(=O)NCC(=O)NC[C@H]([NH3+])C1CC1 ZINC000584408342 357910960 /nfs/dbraw/zinc/91/09/60/357910960.db2.gz BZJDPTHIZLPGCR-QMMMGPOBSA-N 1 0 249.336 -1.221 20 0 BAADRO COCC[N@H+](C)C[C@@H](O)CN(C)CC(N)=O ZINC000584418733 357916604 /nfs/dbraw/zinc/91/66/04/357916604.db2.gz KEICGURNXHXDSJ-SECBINFHSA-N 1 0 233.312 -1.657 20 0 BAADRO COCC[N@H+](C)C[C@H](O)CN(C)CC(N)=O ZINC000584418734 357916828 /nfs/dbraw/zinc/91/68/28/357916828.db2.gz KEICGURNXHXDSJ-VIFPVBQESA-N 1 0 233.312 -1.657 20 0 BAADRO NS(=O)(=O)c1ccc(C(=O)NCC[NH3+])nc1 ZINC000584529866 358042080 /nfs/dbraw/zinc/04/20/80/358042080.db2.gz CNTYVVBLKWJFHN-UHFFFAOYSA-N 1 0 244.276 -1.583 20 0 BAADRO CCOCCNC(=O)C(=O)N(C)CCC[NH3+] ZINC000584541630 358049931 /nfs/dbraw/zinc/04/99/31/358049931.db2.gz RATQWKVVYDRSHT-UHFFFAOYSA-N 1 0 231.296 -1.054 20 0 BAADRO CS(=O)(=O)NCCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000584604367 358104883 /nfs/dbraw/zinc/10/48/83/358104883.db2.gz MWCBONIMBVJCHF-KNVOCYPGSA-N 1 0 235.309 -1.611 20 0 BAADRO CCNC(=O)CN1CCNCC[NH2+]CC1 ZINC000584651748 358306900 /nfs/dbraw/zinc/30/69/00/358306900.db2.gz OZMIITRDZJJREB-UHFFFAOYSA-N 1 0 214.313 -1.383 20 0 BAADRO O[C@@H](C[NH2+][C@H]1[C@@H]2COC[C@@H]21)CN1CCOCC1 ZINC000584716983 358160581 /nfs/dbraw/zinc/16/05/81/358160581.db2.gz QGTLEERWGWUHDP-NNYUYHANSA-N 1 0 242.319 -1.086 20 0 BAADRO O[C@H](C[NH2+][C@H]1[C@@H]2COC[C@@H]21)CN1CCOCC1 ZINC000584716985 358160756 /nfs/dbraw/zinc/16/07/56/358160756.db2.gz QGTLEERWGWUHDP-WYUUTHIRSA-N 1 0 242.319 -1.086 20 0 BAADRO O=C(NCC1CCC1)C(=O)NC1C[NH2+]C1 ZINC000584770349 358178105 /nfs/dbraw/zinc/17/81/05/358178105.db2.gz WGICVDFXGOWHNA-UHFFFAOYSA-N 1 0 211.265 -1.009 20 0 BAADRO CCN1C[C@@H](NC(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1=O ZINC000584781510 358177236 /nfs/dbraw/zinc/17/72/36/358177236.db2.gz MMWAQZXIGHSNHD-XHNCKOQMSA-N 1 0 241.291 -1.554 20 0 BAADRO CC(=O)NCCN(C)C(=O)COC1C[NH2+]C1 ZINC000584781942 358176961 /nfs/dbraw/zinc/17/69/61/358176961.db2.gz QULSVWGJHSZCRX-UHFFFAOYSA-N 1 0 229.280 -1.431 20 0 BAADRO CN(CC[NH3+])C(=O)Cn1nc2ccccn2c1=O ZINC000584838274 358198240 /nfs/dbraw/zinc/19/82/40/358198240.db2.gz KXNMZVLOMBDFIO-UHFFFAOYSA-N 1 0 249.274 -1.087 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)CSCC(N)=O ZINC000588863736 344196178 /nfs/dbraw/zinc/19/61/78/344196178.db2.gz DYBUUFKLYKNWSZ-SSDOTTSWSA-N 1 0 249.336 -1.756 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)CSCC(N)=O ZINC000588863737 344196101 /nfs/dbraw/zinc/19/61/01/344196101.db2.gz DYBUUFKLYKNWSZ-ZETCQYMHSA-N 1 0 249.336 -1.756 20 0 BAADRO COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000588865223 344195949 /nfs/dbraw/zinc/19/59/49/344195949.db2.gz ZWGPVLLSQOFATE-HRDYMLBCSA-N 1 0 244.291 -1.166 20 0 BAADRO COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H](CO)C[NH+](C)C ZINC000588865226 344196197 /nfs/dbraw/zinc/19/61/97/344196197.db2.gz ZWGPVLLSQOFATE-XHNCKOQMSA-N 1 0 244.291 -1.166 20 0 BAADRO COCC[N@H+](C)CCNC(=O)Cn1cncn1 ZINC000588936581 344834406 /nfs/dbraw/zinc/83/44/06/344834406.db2.gz BRESCDXFHWHZSW-UHFFFAOYSA-N 1 0 241.295 -1.028 20 0 BAADRO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000588975810 345837884 /nfs/dbraw/zinc/83/78/84/345837884.db2.gz JWQZPZWXSBIGBF-BQBZGAKWSA-N 1 0 242.279 -1.233 20 0 BAADRO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000588975817 345837878 /nfs/dbraw/zinc/83/78/78/345837878.db2.gz JWQZPZWXSBIGBF-NKWVEPMBSA-N 1 0 242.279 -1.233 20 0 BAADRO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000588975818 345837735 /nfs/dbraw/zinc/83/77/35/345837735.db2.gz JWQZPZWXSBIGBF-RNFRBKRXSA-N 1 0 242.279 -1.233 20 0 BAADRO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000588975821 345837636 /nfs/dbraw/zinc/83/76/36/345837636.db2.gz JWQZPZWXSBIGBF-RQJHMYQMSA-N 1 0 242.279 -1.233 20 0 BAADRO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000588977697 345836473 /nfs/dbraw/zinc/83/64/73/345836473.db2.gz STALNVUUGTWIHV-SSDOTTSWSA-N 1 0 242.279 -1.361 20 0 BAADRO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000588977721 345836455 /nfs/dbraw/zinc/83/64/55/345836455.db2.gz STALNVUUGTWIHV-ZETCQYMHSA-N 1 0 242.279 -1.361 20 0 BAADRO C[C@H](C(=O)NC(N)=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000590599689 347479408 /nfs/dbraw/zinc/47/94/08/347479408.db2.gz KUADTIYKXJTDMZ-CSMHCCOUSA-N 1 0 244.295 -1.824 20 0 BAADRO C[C@@H](C(=O)NC(N)=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000590599708 347479813 /nfs/dbraw/zinc/47/98/13/347479813.db2.gz KUADTIYKXJTDMZ-FXQIFTODSA-N 1 0 244.295 -1.824 20 0 BAADRO COCCNC(=O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000591422602 347657922 /nfs/dbraw/zinc/65/79/22/347657922.db2.gz DGZNBEBLWIIBRH-SECBINFHSA-N 1 0 243.307 -1.183 20 0 BAADRO COCCNC(=O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000591422603 347657792 /nfs/dbraw/zinc/65/77/92/347657792.db2.gz DGZNBEBLWIIBRH-VIFPVBQESA-N 1 0 243.307 -1.183 20 0 BAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@H](C(N)=O)C2)C1 ZINC000591450886 347664284 /nfs/dbraw/zinc/66/42/84/347664284.db2.gz OFLDNOHLUHWMJR-BDAKNGLRSA-N 1 0 241.291 -1.349 20 0 BAADRO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H](C(N)=O)C2)C1 ZINC000591450887 347664517 /nfs/dbraw/zinc/66/45/17/347664517.db2.gz OFLDNOHLUHWMJR-DTWKUNHWSA-N 1 0 241.291 -1.349 20 0 BAADRO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@H](C(N)=O)C2)C1 ZINC000591450888 347664297 /nfs/dbraw/zinc/66/42/97/347664297.db2.gz OFLDNOHLUHWMJR-IUCAKERBSA-N 1 0 241.291 -1.349 20 0 BAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H](C(N)=O)C2)C1 ZINC000591450889 347664141 /nfs/dbraw/zinc/66/41/41/347664141.db2.gz OFLDNOHLUHWMJR-RKDXNWHRSA-N 1 0 241.291 -1.349 20 0 BAADRO CSC[C@H](O)C[NH2+]CCN1CCNC(=O)C1 ZINC000591759326 347691781 /nfs/dbraw/zinc/69/17/81/347691781.db2.gz HQZOOBXLYKMSIX-SECBINFHSA-N 1 0 247.364 -1.268 20 0 BAADRO CSC[C@@H](O)C[NH2+]CCN1CCNC(=O)C1 ZINC000591759327 347692105 /nfs/dbraw/zinc/69/21/05/347692105.db2.gz HQZOOBXLYKMSIX-VIFPVBQESA-N 1 0 247.364 -1.268 20 0 BAADRO CCN1CC[C@@H]([NH2+]CCC(=O)NC(N)=O)C1=O ZINC000591765838 397934685 /nfs/dbraw/zinc/93/46/85/397934685.db2.gz KVSVOGSBSRKQQW-SSDOTTSWSA-N 1 0 242.279 -1.218 20 0 BAADRO CCN1CC[C@H]([NH2+]CCC(=O)NC(N)=O)C1=O ZINC000591765839 397934585 /nfs/dbraw/zinc/93/45/85/397934585.db2.gz KVSVOGSBSRKQQW-ZETCQYMHSA-N 1 0 242.279 -1.218 20 0 BAADRO CCN1C[C@H]([NH2+]CCC(=O)NC(N)=O)CC1=O ZINC000591770493 347698020 /nfs/dbraw/zinc/69/80/20/347698020.db2.gz CUEBLLOCPWYDRB-SSDOTTSWSA-N 1 0 242.279 -1.218 20 0 BAADRO CCN1C[C@@H]([NH2+]CCC(=O)NC(N)=O)CC1=O ZINC000591770494 347698030 /nfs/dbraw/zinc/69/80/30/347698030.db2.gz CUEBLLOCPWYDRB-ZETCQYMHSA-N 1 0 242.279 -1.218 20 0 BAADRO COC(=O)CCCNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000591905750 347714541 /nfs/dbraw/zinc/71/45/41/347714541.db2.gz SHPMBLXLBQMDLI-ZETCQYMHSA-N 1 0 246.263 -1.054 20 0 BAADRO COC(=O)C[C@H]([NH3+])C(=O)N1CCOCC1 ZINC000591913681 491071791 /nfs/dbraw/zinc/07/17/91/491071791.db2.gz RYXSPVDTYYAJJU-ZETCQYMHSA-N 1 0 216.237 -1.264 20 0 BAADRO COC(=O)CCNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000591977538 411132071 /nfs/dbraw/zinc/13/20/71/411132071.db2.gz XYTFGDZQRNHHDQ-LURJTMIESA-N 1 0 232.236 -1.444 20 0 BAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1COC[C@H]1OC ZINC000592151794 347743273 /nfs/dbraw/zinc/74/32/73/347743273.db2.gz XNTRQYXOOWMGHM-HTQZYQBOSA-N 1 0 245.279 -1.165 20 0 BAADRO COC[C@H](O)C[N@@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000592193398 347749088 /nfs/dbraw/zinc/74/90/88/347749088.db2.gz FKOQVGXFJBNZHK-IVZWLZJFSA-N 1 0 247.291 -1.151 20 0 BAADRO COC[C@H](O)C[N@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000592193409 347749186 /nfs/dbraw/zinc/74/91/86/347749186.db2.gz FKOQVGXFJBNZHK-KXUCPTDWSA-N 1 0 247.291 -1.151 20 0 BAADRO COC[C@H](O)C[N@@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000592193410 347749126 /nfs/dbraw/zinc/74/91/26/347749126.db2.gz FKOQVGXFJBNZHK-LPEHRKFASA-N 1 0 247.291 -1.151 20 0 BAADRO COC[C@H](O)C[N@@H+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000592193413 347748837 /nfs/dbraw/zinc/74/88/37/347748837.db2.gz FKOQVGXFJBNZHK-OPRDCNLKSA-N 1 0 247.291 -1.151 20 0 BAADRO CNC(=O)CC[N@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000592202038 347753926 /nfs/dbraw/zinc/75/39/26/347753926.db2.gz OVTHAPPUVLWYJK-BDAKNGLRSA-N 1 0 244.291 -1.022 20 0 BAADRO CNC(=O)CC[N@@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000592202039 347754092 /nfs/dbraw/zinc/75/40/92/347754092.db2.gz OVTHAPPUVLWYJK-DTWKUNHWSA-N 1 0 244.291 -1.022 20 0 BAADRO CNC(=O)CC[N@@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000592202040 347753542 /nfs/dbraw/zinc/75/35/42/347753542.db2.gz OVTHAPPUVLWYJK-IUCAKERBSA-N 1 0 244.291 -1.022 20 0 BAADRO CNC(=O)CC[N@@H+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000592202041 347753588 /nfs/dbraw/zinc/75/35/88/347753588.db2.gz OVTHAPPUVLWYJK-RKDXNWHRSA-N 1 0 244.291 -1.022 20 0 BAADRO COC[C@@H](O)C[N@@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000592202389 347754029 /nfs/dbraw/zinc/75/40/29/347754029.db2.gz FKOQVGXFJBNZHK-AEJSXWLSSA-N 1 0 247.291 -1.151 20 0 BAADRO COC[C@@H](O)C[N@@H+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000592202390 347753823 /nfs/dbraw/zinc/75/38/23/347753823.db2.gz FKOQVGXFJBNZHK-BBBLOLIVSA-N 1 0 247.291 -1.151 20 0 BAADRO COC[C@@H](O)C[N@@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000592202392 347753693 /nfs/dbraw/zinc/75/36/93/347753693.db2.gz FKOQVGXFJBNZHK-GUBZILKMSA-N 1 0 247.291 -1.151 20 0 BAADRO COC[C@@H](O)C[N@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000592202398 347753950 /nfs/dbraw/zinc/75/39/50/347753950.db2.gz FKOQVGXFJBNZHK-UTLUCORTSA-N 1 0 247.291 -1.151 20 0 BAADRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CCOCCO)C1 ZINC000592208671 347757334 /nfs/dbraw/zinc/75/73/34/347757334.db2.gz UOSLHLWHZVFNGH-NXEZZACHSA-N 1 0 247.291 -1.149 20 0 BAADRO COC(=O)[C@H]1C[C@H](O)C[N@H+](CCOCCO)C1 ZINC000592208672 347757835 /nfs/dbraw/zinc/75/78/35/347757835.db2.gz UOSLHLWHZVFNGH-UWVGGRQHSA-N 1 0 247.291 -1.149 20 0 BAADRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](CCOCCO)C1 ZINC000592208673 347757961 /nfs/dbraw/zinc/75/79/61/347757961.db2.gz UOSLHLWHZVFNGH-VHSXEESVSA-N 1 0 247.291 -1.149 20 0 BAADRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](CCOCCO)C1 ZINC000592208674 347757594 /nfs/dbraw/zinc/75/75/94/347757594.db2.gz UOSLHLWHZVFNGH-ZJUUUORDSA-N 1 0 247.291 -1.149 20 0 BAADRO NC(=O)NC(=O)CCNC(=O)CC1([NH3+])CCC1 ZINC000592214322 347762067 /nfs/dbraw/zinc/76/20/67/347762067.db2.gz HJXZNBXOEHHJNU-UHFFFAOYSA-N 1 0 242.279 -1.041 20 0 BAADRO COCCN(CC(=O)OC)C(=O)COCC[NH3+] ZINC000592228576 347762928 /nfs/dbraw/zinc/76/29/28/347762928.db2.gz MKORTRVXLHEPFD-UHFFFAOYSA-N 1 0 248.279 -1.390 20 0 BAADRO COC[C@@H](NC(=O)[C@@H]1C[NH2+]CCO1)C(=O)OC ZINC000592237518 347761389 /nfs/dbraw/zinc/76/13/89/347761389.db2.gz NOBUAMXFPHVKPU-SFYZADRCSA-N 1 0 246.263 -1.721 20 0 BAADRO COC[C@H](NC(=O)[C@@H]1C[NH2+]CCO1)C(=O)OC ZINC000592237525 347761437 /nfs/dbraw/zinc/76/14/37/347761437.db2.gz NOBUAMXFPHVKPU-YUMQZZPRSA-N 1 0 246.263 -1.721 20 0 BAADRO COC(=O)[C@H](C)N(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000592273641 347763986 /nfs/dbraw/zinc/76/39/86/347763986.db2.gz OIHWRNJSDMUVDM-YUMQZZPRSA-N 1 0 230.264 -1.005 20 0 BAADRO COC(=O)[C@H](C)N(C)C(=O)COCC[NH3+] ZINC000592275099 347764111 /nfs/dbraw/zinc/76/41/11/347764111.db2.gz ZORGAPUJBGMTFO-ZETCQYMHSA-N 1 0 218.253 -1.018 20 0 BAADRO COC(=O)C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000592297055 347765269 /nfs/dbraw/zinc/76/52/69/347765269.db2.gz FDCVQIPBPNJMJN-SFYZADRCSA-N 1 0 229.280 -1.303 20 0 BAADRO COC(=O)C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000592297058 347765539 /nfs/dbraw/zinc/76/55/39/347765539.db2.gz FDCVQIPBPNJMJN-YUMQZZPRSA-N 1 0 229.280 -1.303 20 0 BAADRO COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000592341090 347768909 /nfs/dbraw/zinc/76/89/09/347768909.db2.gz JYOMZHVJQPVWJU-HRDYMLBCSA-N 1 0 242.275 -1.100 20 0 BAADRO COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000592341092 347769000 /nfs/dbraw/zinc/76/90/00/347769000.db2.gz JYOMZHVJQPVWJU-XHNCKOQMSA-N 1 0 242.275 -1.100 20 0 BAADRO COC(=O)[C@@H](CO)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000592429824 347785208 /nfs/dbraw/zinc/78/52/08/347785208.db2.gz RGKJBUOGELXHPK-NXEZZACHSA-N 1 0 246.307 -1.435 20 0 BAADRO COC(=O)[C@@H](CO)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000592429830 347784967 /nfs/dbraw/zinc/78/49/67/347784967.db2.gz RGKJBUOGELXHPK-VHSXEESVSA-N 1 0 246.307 -1.435 20 0 BAADRO CC[C@@H](O)C[NH2+]CCC(=O)NC(N)=O ZINC000592429867 347784964 /nfs/dbraw/zinc/78/49/64/347784964.db2.gz NVGYTAMLBVQHLA-ZCFIWIBFSA-N 1 0 203.242 -1.068 20 0 BAADRO NC(=O)NC(=O)CC[NH2+]CC1(CO)CC1 ZINC000592430182 347785276 /nfs/dbraw/zinc/78/52/76/347785276.db2.gz HBPZXJWZVNYRFQ-UHFFFAOYSA-N 1 0 215.253 -1.067 20 0 BAADRO NC(=O)NC(=O)CC[NH2+]C[C@@H](O)C1CC1 ZINC000592432145 347778449 /nfs/dbraw/zinc/77/84/49/347778449.db2.gz OZIBNFFJZGBKNP-SSDOTTSWSA-N 1 0 215.253 -1.068 20 0 BAADRO NC(=O)NC(=O)CC[NH2+]C[C@H](O)C1CC1 ZINC000592432152 347778393 /nfs/dbraw/zinc/77/83/93/347778393.db2.gz OZIBNFFJZGBKNP-ZETCQYMHSA-N 1 0 215.253 -1.068 20 0 BAADRO C[NH2+][C@@H]1CCN(CC(=O)NCCC(=O)OC)C1 ZINC000592470767 347789367 /nfs/dbraw/zinc/78/93/67/347789367.db2.gz UESNTIIBGYCWON-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO C[NH2+][C@H]1CCN(CC(=O)NCCC(=O)OC)C1 ZINC000592470768 347789282 /nfs/dbraw/zinc/78/92/82/347789282.db2.gz UESNTIIBGYCWON-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO COC(=O)CCNC(=O)CN1CC[C@H](C[NH3+])C1 ZINC000592471436 347790138 /nfs/dbraw/zinc/79/01/38/347790138.db2.gz DXHVBOGMFIQNBY-SECBINFHSA-N 1 0 243.307 -1.054 20 0 BAADRO COC(=O)CCNC(=O)CN1CC[C@@H](C[NH3+])C1 ZINC000592471439 347789823 /nfs/dbraw/zinc/78/98/23/347789823.db2.gz DXHVBOGMFIQNBY-VIFPVBQESA-N 1 0 243.307 -1.054 20 0 BAADRO COC(=O)CCNC(=O)CN1CC[NH2+][C@H](C)C1 ZINC000592473435 347790507 /nfs/dbraw/zinc/79/05/07/347790507.db2.gz KQIBCXZIINCGTK-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO COC(=O)CCNC(=O)CN1CC[NH2+][C@@H](C)C1 ZINC000592473436 347790600 /nfs/dbraw/zinc/79/06/00/347790600.db2.gz KQIBCXZIINCGTK-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO COC(=O)CCNC(=O)CN(C)CCC[NH3+] ZINC000592474231 347790471 /nfs/dbraw/zinc/79/04/71/347790471.db2.gz FHKIGSCROJZAIY-UHFFFAOYSA-N 1 0 231.296 -1.054 20 0 BAADRO COC(=O)CN1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000592486780 347786849 /nfs/dbraw/zinc/78/68/49/347786849.db2.gz LHZGAIIWTTYEPH-MRVPVSSYSA-N 1 0 230.264 -1.004 20 0 BAADRO COC(=O)CN1CCC[NH2+]C[C@H]1C(=O)OC ZINC000592486781 347786873 /nfs/dbraw/zinc/78/68/73/347786873.db2.gz LHZGAIIWTTYEPH-QMMMGPOBSA-N 1 0 230.264 -1.004 20 0 BAADRO COC(=O)[C@H]1C[NH2+]CCCN1CC(=O)N(C)C ZINC000592487111 347787159 /nfs/dbraw/zinc/78/71/59/347787159.db2.gz BKTIAWGACMJGNT-SECBINFHSA-N 1 0 243.307 -1.089 20 0 BAADRO COC(=O)[C@@H]1C[NH2+]CCCN1CC(=O)N(C)C ZINC000592487112 347787093 /nfs/dbraw/zinc/78/70/93/347787093.db2.gz BKTIAWGACMJGNT-VIFPVBQESA-N 1 0 243.307 -1.089 20 0 BAADRO CCNC(=O)CN1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000592487113 347786889 /nfs/dbraw/zinc/78/68/89/347786889.db2.gz BLNMAGYDVSKUPR-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO CCNC(=O)CN1CCC[NH2+]C[C@H]1C(=O)OC ZINC000592487114 347787151 /nfs/dbraw/zinc/78/71/51/347787151.db2.gz BLNMAGYDVSKUPR-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO C[NH2+]C[C@@H]1C[C@H](F)CN1CC(=O)NC(N)=O ZINC000592487610 347786772 /nfs/dbraw/zinc/78/67/72/347786772.db2.gz WFTHNSFSGBKSNJ-BQBZGAKWSA-N 1 0 232.259 -1.187 20 0 BAADRO COC(=O)[C@H]1C[NH2+]CCCN1CC(N)=O ZINC000592488109 347786881 /nfs/dbraw/zinc/78/68/81/347786881.db2.gz IOGPJUSZDXAEGF-SSDOTTSWSA-N 1 0 215.253 -1.691 20 0 BAADRO COC(=O)[C@@H]1C[NH2+]CCCN1CC(N)=O ZINC000592488110 347787056 /nfs/dbraw/zinc/78/70/56/347787056.db2.gz IOGPJUSZDXAEGF-ZETCQYMHSA-N 1 0 215.253 -1.691 20 0 BAADRO CNC(=O)CN1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000592489952 347786943 /nfs/dbraw/zinc/78/69/43/347786943.db2.gz XJQNFUKUFPZLNG-MRVPVSSYSA-N 1 0 229.280 -1.431 20 0 BAADRO CNC(=O)CN1CCC[NH2+]C[C@H]1C(=O)OC ZINC000592489953 347786894 /nfs/dbraw/zinc/78/68/94/347786894.db2.gz XJQNFUKUFPZLNG-QMMMGPOBSA-N 1 0 229.280 -1.431 20 0 BAADRO COC(=O)CCNC(=O)CN(C)C1C[NH2+]C1 ZINC000592490412 347786840 /nfs/dbraw/zinc/78/68/40/347786840.db2.gz JQMFPDJJQWHICN-UHFFFAOYSA-N 1 0 229.280 -1.431 20 0 BAADRO COC[C@](C)(NC(=O)COCC[NH3+])C(=O)OC ZINC000592537989 347798755 /nfs/dbraw/zinc/79/87/55/347798755.db2.gz JFNSTPNBIKWXQI-JTQLQIEISA-N 1 0 248.279 -1.344 20 0 BAADRO COC[C@@](C)(NC(=O)COCC[NH3+])C(=O)OC ZINC000592537990 347798765 /nfs/dbraw/zinc/79/87/65/347798765.db2.gz JFNSTPNBIKWXQI-SNVBAGLBSA-N 1 0 248.279 -1.344 20 0 BAADRO COC(=O)c1cn(CC(=O)NC[C@H](C)[NH3+])nn1 ZINC000592547129 347799962 /nfs/dbraw/zinc/79/99/62/347799962.db2.gz PHVVHZVEQHFWRI-LURJTMIESA-N 1 0 241.251 -1.472 20 0 BAADRO COC(=O)c1cn(CC(=O)NC[C@@H](C)[NH3+])nn1 ZINC000592547137 347799982 /nfs/dbraw/zinc/79/99/82/347799982.db2.gz PHVVHZVEQHFWRI-ZCFIWIBFSA-N 1 0 241.251 -1.472 20 0 BAADRO COCC(=O)N1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000592548392 347799948 /nfs/dbraw/zinc/79/99/48/347799948.db2.gz OQQHEBRUIICVMB-MRVPVSSYSA-N 1 0 230.264 -1.004 20 0 BAADRO COCC(=O)N1CCC[NH2+]C[C@H]1C(=O)OC ZINC000592548393 347800068 /nfs/dbraw/zinc/80/00/68/347800068.db2.gz OQQHEBRUIICVMB-QMMMGPOBSA-N 1 0 230.264 -1.004 20 0 BAADRO COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CC[NH3+] ZINC000592558229 347800468 /nfs/dbraw/zinc/80/04/68/347800468.db2.gz CHMCVOZCJUIVMD-SSDOTTSWSA-N 1 0 243.263 -1.775 20 0 BAADRO COC(=O)C[C@H]1C(=O)NCCN1C(=O)CC[NH3+] ZINC000592558230 347800475 /nfs/dbraw/zinc/80/04/75/347800475.db2.gz CHMCVOZCJUIVMD-ZETCQYMHSA-N 1 0 243.263 -1.775 20 0 BAADRO CCOC(=O)CN(CC(N)=O)C(=O)[C@H]1CC[NH2+]1 ZINC000592559002 347800620 /nfs/dbraw/zinc/80/06/20/347800620.db2.gz UOQCODPMIOQYPB-SSDOTTSWSA-N 1 0 243.263 -1.775 20 0 BAADRO CCN(CC(=O)OC)C(=O)CNC(=O)C[NH3+] ZINC000592559374 347800689 /nfs/dbraw/zinc/80/06/89/347800689.db2.gz QNZGBYMJZUXLTN-UHFFFAOYSA-N 1 0 231.252 -1.917 20 0 BAADRO COC[C@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C(=O)OC ZINC000592563733 347797649 /nfs/dbraw/zinc/79/76/49/347797649.db2.gz VBBARWVUQWHFCY-UYXSQOIJSA-N 1 0 242.275 -1.244 20 0 BAADRO COC[C@@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C(=O)OC ZINC000592563734 347797501 /nfs/dbraw/zinc/79/75/01/347797501.db2.gz VBBARWVUQWHFCY-XAVMHZPKSA-N 1 0 242.275 -1.244 20 0 BAADRO COC(=O)[C@H](CO)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000592748571 347810235 /nfs/dbraw/zinc/81/02/35/347810235.db2.gz SFTBQBJXEPJCTI-HLTSFMKQSA-N 1 0 244.291 -1.023 20 0 BAADRO COC(=O)[C@@H](CO)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000592748572 347810056 /nfs/dbraw/zinc/81/00/56/347810056.db2.gz SFTBQBJXEPJCTI-IWSPIJDZSA-N 1 0 244.291 -1.023 20 0 BAADRO COC(=O)[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000592784499 347816588 /nfs/dbraw/zinc/81/65/88/347816588.db2.gz HWVVLPJHKMDADC-HLTSFMKQSA-N 1 0 244.291 -1.023 20 0 BAADRO COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C[NH+](C)C)C1 ZINC000592931958 347831891 /nfs/dbraw/zinc/83/18/91/347831891.db2.gz UMGROIPYNLYTIH-BDAKNGLRSA-N 1 0 244.291 -1.070 20 0 BAADRO COC(=O)[C@H]1C[C@@H](O)CN(C(=O)C[NH+](C)C)C1 ZINC000592931959 347832008 /nfs/dbraw/zinc/83/20/08/347832008.db2.gz UMGROIPYNLYTIH-DTWKUNHWSA-N 1 0 244.291 -1.070 20 0 BAADRO COC(=O)[C@H]1C[C@H](O)CN(C(=O)C[NH+](C)C)C1 ZINC000592931961 347831787 /nfs/dbraw/zinc/83/17/87/347831787.db2.gz UMGROIPYNLYTIH-IUCAKERBSA-N 1 0 244.291 -1.070 20 0 BAADRO COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C[NH+](C)C)C1 ZINC000592931962 347831762 /nfs/dbraw/zinc/83/17/62/347831762.db2.gz UMGROIPYNLYTIH-RKDXNWHRSA-N 1 0 244.291 -1.070 20 0 BAADRO COC(=O)CN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593049646 347847012 /nfs/dbraw/zinc/84/70/12/347847012.db2.gz NILCZFJHTNHRIY-UHFFFAOYSA-N 1 0 243.307 -1.135 20 0 BAADRO COC[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@](C)(O)C(=O)OC ZINC000593064891 347849732 /nfs/dbraw/zinc/84/97/32/347849732.db2.gz UDWITNRLODXGBO-IQJOONFLSA-N 1 0 247.291 -1.008 20 0 BAADRO COC[C@@H]1C[C@@H](O)C[N@@H+]1C[C@](C)(O)C(=O)OC ZINC000593064898 347849333 /nfs/dbraw/zinc/84/93/33/347849333.db2.gz UDWITNRLODXGBO-NGZCFLSTSA-N 1 0 247.291 -1.008 20 0 BAADRO COC[C@H]1C[C@@H](O)C[N@@H+]1C[C@@](C)(O)C(=O)OC ZINC000593067129 347850398 /nfs/dbraw/zinc/85/03/98/347850398.db2.gz UDWITNRLODXGBO-FXPVBKGRSA-N 1 0 247.291 -1.008 20 0 BAADRO COC[C@H]1C[C@@H](O)C[N@@H+]1C[C@](C)(O)C(=O)OC ZINC000593067130 347850376 /nfs/dbraw/zinc/85/03/76/347850376.db2.gz UDWITNRLODXGBO-KKZNHRDASA-N 1 0 247.291 -1.008 20 0 BAADRO C[C@@H](CCO)[N@H+](C)CC(=O)NC(N)=O ZINC000593110369 347861093 /nfs/dbraw/zinc/86/10/93/347861093.db2.gz WFGUICIBPLJBEJ-LURJTMIESA-N 1 0 203.242 -1.116 20 0 BAADRO C[C@H](CCO)[N@H+](C)CC(=O)NC(N)=O ZINC000593110371 347861211 /nfs/dbraw/zinc/86/12/11/347861211.db2.gz WFGUICIBPLJBEJ-ZCFIWIBFSA-N 1 0 203.242 -1.116 20 0 BAADRO COC(=O)[C@@H]1CN(C(=O)NCC[NH3+])C[C@H](C)O1 ZINC000593710957 347935725 /nfs/dbraw/zinc/93/57/25/347935725.db2.gz NTWDJSKFBYZCAQ-YUMQZZPRSA-N 1 0 245.279 -1.083 20 0 BAADRO CCOC(=O)CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000593901214 347966544 /nfs/dbraw/zinc/96/65/44/347966544.db2.gz BQTDGQMKQADCHH-KWQFWETISA-N 1 0 242.275 -1.098 20 0 BAADRO COC(=O)CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000593901963 347967223 /nfs/dbraw/zinc/96/72/23/347967223.db2.gz LHXXNMHBZRZTSV-KWQFWETISA-N 1 0 242.275 -1.098 20 0 BAADRO COC(=O)CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000593901992 347967523 /nfs/dbraw/zinc/96/75/23/347967523.db2.gz MFNOWPTVNVQWQF-XVKPBYJWSA-N 1 0 228.248 -1.488 20 0 BAADRO COC(=O)[C@@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000593902994 347967297 /nfs/dbraw/zinc/96/72/97/347967297.db2.gz ZSBTYHRUOPEETM-FYBVGQRMSA-N 1 0 242.275 -1.100 20 0 BAADRO COC(=O)[C@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000593902995 347967485 /nfs/dbraw/zinc/96/74/85/347967485.db2.gz ZSBTYHRUOPEETM-LAEOZQHASA-N 1 0 242.275 -1.100 20 0 BAADRO COC(=O)[C@H]1CN(C(=O)COCC[NH3+])CCO1 ZINC000593912649 347970376 /nfs/dbraw/zinc/97/03/76/347970376.db2.gz MJRORQKFNIFZRR-MRVPVSSYSA-N 1 0 246.263 -1.638 20 0 BAADRO COC(=O)[C@@H]1CN(C(=O)COCC[NH3+])CCO1 ZINC000593912650 347970477 /nfs/dbraw/zinc/97/04/77/347970477.db2.gz MJRORQKFNIFZRR-QMMMGPOBSA-N 1 0 246.263 -1.638 20 0 BAADRO C[NH2+]CCC(=O)N1CCO[C@@H](C(=O)OC)C1 ZINC000593912714 347970409 /nfs/dbraw/zinc/97/04/09/347970409.db2.gz RYOSOQFIGMHXIS-MRVPVSSYSA-N 1 0 230.264 -1.004 20 0 BAADRO C[NH2+]CCC(=O)N1CCO[C@H](C(=O)OC)C1 ZINC000593912715 347970475 /nfs/dbraw/zinc/97/04/75/347970475.db2.gz RYOSOQFIGMHXIS-QMMMGPOBSA-N 1 0 230.264 -1.004 20 0 BAADRO COC(=O)[C@@H]1CN(C(=O)C[NH3+])C[C@H](C)O1 ZINC000593917775 347962436 /nfs/dbraw/zinc/96/24/36/347962436.db2.gz KMRWDLNUZOCLJV-BQBZGAKWSA-N 1 0 216.237 -1.266 20 0 BAADRO COC(=O)C1(C[NH2+]C(CO)CO)CC1 ZINC000594001364 397963722 /nfs/dbraw/zinc/96/37/22/397963722.db2.gz NKAOIWAFWDXIPC-UHFFFAOYSA-N 1 0 203.238 -1.118 20 0 BAADRO COC(=O)[C@@H](CO)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000594225279 348024100 /nfs/dbraw/zinc/02/41/00/348024100.db2.gz PTIOLUFRNUQPAP-DTWKUNHWSA-N 1 0 244.291 -1.022 20 0 BAADRO COC(=O)[C@@H](CO)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000594225280 348023761 /nfs/dbraw/zinc/02/37/61/348023761.db2.gz PTIOLUFRNUQPAP-RKDXNWHRSA-N 1 0 244.291 -1.022 20 0 BAADRO COC(=O)CNC(=O)CNC(=O)[C@H](C)[NH+](C)C ZINC000594350237 348037973 /nfs/dbraw/zinc/03/79/73/348037973.db2.gz TWUXJHRSOGBEIO-ZETCQYMHSA-N 1 0 245.279 -1.658 20 0 BAADRO CCOC(=O)Cn1ccc(NC(=O)C[NH3+])n1 ZINC000594453121 411675000 /nfs/dbraw/zinc/67/50/00/411675000.db2.gz HCUCLGIRSXRGJB-UHFFFAOYSA-N 1 0 226.236 -0.657 20 0 BAADRO COC(=O)Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC000594642926 385609903 /nfs/dbraw/zinc/60/99/03/385609903.db2.gz BVUKPWTWBJDGLO-UHFFFAOYSA-N 1 0 239.279 -1.144 20 0 BAADRO CC[N@H+](C)C[C@@H](O)CN[C@](C)(CO)C(=O)OC ZINC000595531463 348273693 /nfs/dbraw/zinc/27/36/93/348273693.db2.gz GQDMTWNHAGIQTF-GXSJLCMTSA-N 1 0 248.323 -1.187 20 0 BAADRO CC[N@H+](C)C[C@H](O)CN[C@@](C)(CO)C(=O)OC ZINC000595531464 348273887 /nfs/dbraw/zinc/27/38/87/348273887.db2.gz GQDMTWNHAGIQTF-KOLCDFICSA-N 1 0 248.323 -1.187 20 0 BAADRO CC[N@H+](C)C[C@H](O)CN[C@](C)(CO)C(=O)OC ZINC000595531465 348273874 /nfs/dbraw/zinc/27/38/74/348273874.db2.gz GQDMTWNHAGIQTF-MWLCHTKSSA-N 1 0 248.323 -1.187 20 0 BAADRO CC[N@H+](C)C[C@@H](O)CN[C@@](C)(CO)C(=O)OC ZINC000595531466 348273882 /nfs/dbraw/zinc/27/38/82/348273882.db2.gz GQDMTWNHAGIQTF-ONGXEEELSA-N 1 0 248.323 -1.187 20 0 BAADRO NC(=O)NC(=O)C[NH2+][C@H](CO)C1CCC1 ZINC000595617953 348289777 /nfs/dbraw/zinc/28/97/77/348289777.db2.gz VSNXDOIJSGJIFO-SSDOTTSWSA-N 1 0 215.253 -1.068 20 0 BAADRO NC(=O)NC(=O)C[NH2+][C@@H](CO)C1CCC1 ZINC000595617968 348289591 /nfs/dbraw/zinc/28/95/91/348289591.db2.gz VSNXDOIJSGJIFO-ZETCQYMHSA-N 1 0 215.253 -1.068 20 0 BAADRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CC(=O)N(C)C ZINC000595658651 348298870 /nfs/dbraw/zinc/29/88/70/348298870.db2.gz GPVFHTVRJONZEJ-IONNQARKSA-N 1 0 230.264 -1.005 20 0 BAADRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CCOCCO ZINC000595658741 348298763 /nfs/dbraw/zinc/29/87/63/348298763.db2.gz HZVNYNHGVKSIQU-DTWKUNHWSA-N 1 0 233.264 -1.085 20 0 BAADRO C[N@H+](CCC(=O)NC(N)=O)C[C@@H]1COCCO1 ZINC000595745583 348340232 /nfs/dbraw/zinc/34/02/32/348340232.db2.gz YCIFGTQUTOEGIA-MRVPVSSYSA-N 1 0 245.279 -1.081 20 0 BAADRO C[N@H+](CCC(=O)NC(N)=O)C[C@H]1COCCO1 ZINC000595745587 348340197 /nfs/dbraw/zinc/34/01/97/348340197.db2.gz YCIFGTQUTOEGIA-QMMMGPOBSA-N 1 0 245.279 -1.081 20 0 BAADRO CN1CC[N@H+](CCC(=O)NC(N)=O)CCC1=O ZINC000595780013 348339692 /nfs/dbraw/zinc/33/96/92/348339692.db2.gz BHPLQJZHZIVVHG-UHFFFAOYSA-N 1 0 242.279 -1.265 20 0 BAADRO NC(=O)NC(=O)C[N@@H+]1CCC2(COC2)C1 ZINC000595836482 348370061 /nfs/dbraw/zinc/37/00/61/348370061.db2.gz YSKFPWVGFAUXAE-UHFFFAOYSA-N 1 0 213.237 -1.096 20 0 BAADRO COC(=O)[C@H]1CN(C[C@H]2C[NH2+]CCO2)CCO1 ZINC000595891004 348390001 /nfs/dbraw/zinc/39/00/01/348390001.db2.gz HKZYKJBBBBBWNR-NXEZZACHSA-N 1 0 244.291 -1.151 20 0 BAADRO COC(=O)[C@@H]1CN(C[C@@H]2C[NH2+]CCO2)CCO1 ZINC000595891367 348390252 /nfs/dbraw/zinc/39/02/52/348390252.db2.gz HKZYKJBBBBBWNR-UWVGGRQHSA-N 1 0 244.291 -1.151 20 0 BAADRO COC(=O)[C@H]1CN(C[C@@H]2C[NH2+]CCO2)CCO1 ZINC000595891370 348390262 /nfs/dbraw/zinc/39/02/62/348390262.db2.gz HKZYKJBBBBBWNR-VHSXEESVSA-N 1 0 244.291 -1.151 20 0 BAADRO COC(=O)[C@@H]1CN(C[C@H]2C[NH2+]CCO2)CCO1 ZINC000595891372 348390058 /nfs/dbraw/zinc/39/00/58/348390058.db2.gz HKZYKJBBBBBWNR-ZJUUUORDSA-N 1 0 244.291 -1.151 20 0 BAADRO CN(CC(=O)NC(N)=O)CC(C)(C)[NH3+] ZINC000595898905 348394667 /nfs/dbraw/zinc/39/46/67/348394667.db2.gz OUPSURSTOWXNIY-UHFFFAOYSA-N 1 0 202.258 -1.150 20 0 BAADRO COC(=O)CN(CC[NH3+])C[C@@H](O)CO ZINC000595901194 348394569 /nfs/dbraw/zinc/39/45/69/348394569.db2.gz DJNWWRADKYXHBW-SSDOTTSWSA-N 1 0 206.242 -2.227 20 0 BAADRO COC(=O)CN(CC[NH3+])C[C@H](O)CO ZINC000595901195 348394292 /nfs/dbraw/zinc/39/42/92/348394292.db2.gz DJNWWRADKYXHBW-ZETCQYMHSA-N 1 0 206.242 -2.227 20 0 BAADRO CC(C)OC(=O)CCN(CC[NH3+])C[C@H](O)CO ZINC000595902273 348394737 /nfs/dbraw/zinc/39/47/37/348394737.db2.gz QLRKHSMVUDGKPU-JTQLQIEISA-N 1 0 248.323 -1.058 20 0 BAADRO CC(C)OC(=O)CCN(CC[NH3+])C[C@@H](O)CO ZINC000595902274 348394749 /nfs/dbraw/zinc/39/47/49/348394749.db2.gz QLRKHSMVUDGKPU-SNVBAGLBSA-N 1 0 248.323 -1.058 20 0 BAADRO CCOC(=O)CCN(CC[NH3+])C[C@@H](O)CO ZINC000595902805 348395190 /nfs/dbraw/zinc/39/51/90/348395190.db2.gz RMAMDQXYODGUMD-SECBINFHSA-N 1 0 234.296 -1.447 20 0 BAADRO CCOC(=O)CCN(CC[NH3+])C[C@H](O)CO ZINC000595902806 348395559 /nfs/dbraw/zinc/39/55/59/348395559.db2.gz RMAMDQXYODGUMD-VIFPVBQESA-N 1 0 234.296 -1.447 20 0 BAADRO COC(=O)CCCN(CC[NH3+])C[C@@H](O)CO ZINC000595902885 348395272 /nfs/dbraw/zinc/39/52/72/348395272.db2.gz WMDDFXNCMUCSOE-SECBINFHSA-N 1 0 234.296 -1.447 20 0 BAADRO COC(=O)CCCN(CC[NH3+])C[C@H](O)CO ZINC000595902887 348395284 /nfs/dbraw/zinc/39/52/84/348395284.db2.gz WMDDFXNCMUCSOE-VIFPVBQESA-N 1 0 234.296 -1.447 20 0 BAADRO CCOC(=O)CN(CC[NH3+])C[C@@H](O)CO ZINC000595903621 348395508 /nfs/dbraw/zinc/39/55/08/348395508.db2.gz YVSJFZJHICXTTQ-MRVPVSSYSA-N 1 0 220.269 -1.837 20 0 BAADRO CCOC(=O)CN(CC[NH3+])C[C@H](O)CO ZINC000595903623 348395263 /nfs/dbraw/zinc/39/52/63/348395263.db2.gz YVSJFZJHICXTTQ-QMMMGPOBSA-N 1 0 220.269 -1.837 20 0 BAADRO NC(=O)NC(=O)CN1CC2CC1(C[NH3+])C2 ZINC000595903653 348395355 /nfs/dbraw/zinc/39/53/55/348395355.db2.gz SCXHHQYXQSELBK-UHFFFAOYSA-N 1 0 212.253 -1.396 20 0 BAADRO C[C@H](C(=O)NC(N)=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595905194 348396578 /nfs/dbraw/zinc/39/65/78/348396578.db2.gz ACSAWZLCXNZASY-FSDSQADBSA-N 1 0 232.259 -1.059 20 0 BAADRO C[C@@H](C(=O)NC(N)=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595905195 348396120 /nfs/dbraw/zinc/39/61/20/348396120.db2.gz ACSAWZLCXNZASY-RRKCRQDMSA-N 1 0 232.259 -1.059 20 0 BAADRO NC(=O)NC(=O)CCN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595905620 348396627 /nfs/dbraw/zinc/39/66/27/348396627.db2.gz FCXGXZICYCVMTJ-RNFRBKRXSA-N 1 0 232.259 -1.058 20 0 BAADRO CNC(=O)NC(=O)CN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595905846 348396710 /nfs/dbraw/zinc/39/67/10/348396710.db2.gz HOMCFECEVOAATI-RNFRBKRXSA-N 1 0 232.259 -1.187 20 0 BAADRO NC(=O)NC(=O)CN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595906780 348397051 /nfs/dbraw/zinc/39/70/51/348397051.db2.gz NNZSKIYHHOMATE-PHDIDXHHSA-N 1 0 218.232 -1.448 20 0 BAADRO C[C@H](C(=O)NC(N)=O)N1CC2CC1(C[NH3+])C2 ZINC000595908410 348398022 /nfs/dbraw/zinc/39/80/22/348398022.db2.gz IBBROAYYZXPFDP-AFKSGGFBSA-N 1 0 226.280 -1.007 20 0 BAADRO C[C@@H](C(=O)NC(N)=O)N1CC2CC1(C[NH3+])C2 ZINC000595908411 348398086 /nfs/dbraw/zinc/39/80/86/348398086.db2.gz IBBROAYYZXPFDP-MLMMTNJESA-N 1 0 226.280 -1.007 20 0 BAADRO NC(=O)NC(=O)CCN1CC2CC1(C[NH3+])C2 ZINC000595909269 348397908 /nfs/dbraw/zinc/39/79/08/348397908.db2.gz LBIFOSFYRVFTJN-UHFFFAOYSA-N 1 0 226.280 -1.006 20 0 BAADRO CNC(=O)NC(=O)CN1CC2CC1(C[NH3+])C2 ZINC000595911191 348398691 /nfs/dbraw/zinc/39/86/91/348398691.db2.gz STYOAIAYMIAAGE-UHFFFAOYSA-N 1 0 226.280 -1.135 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000595919641 348401160 /nfs/dbraw/zinc/40/11/60/348401160.db2.gz LMJTZUHCYQYMDF-HTQZYQBOSA-N 1 0 229.280 -1.255 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000595919646 348401064 /nfs/dbraw/zinc/40/10/64/348401064.db2.gz LMJTZUHCYQYMDF-JGVFFNPUSA-N 1 0 229.280 -1.255 20 0 BAADRO CCOC(=O)[C@@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000595919647 348401026 /nfs/dbraw/zinc/40/10/26/348401026.db2.gz LMJTZUHCYQYMDF-SFYZADRCSA-N 1 0 229.280 -1.255 20 0 BAADRO CCOC(=O)[C@@H](N)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000595919649 348401120 /nfs/dbraw/zinc/40/11/20/348401120.db2.gz LMJTZUHCYQYMDF-YUMQZZPRSA-N 1 0 229.280 -1.255 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000595919691 348400897 /nfs/dbraw/zinc/40/08/97/348400897.db2.gz MFSULJZAIZWBBL-HTQZYQBOSA-N 1 0 229.280 -1.174 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000595919698 348400941 /nfs/dbraw/zinc/40/09/41/348400941.db2.gz MFSULJZAIZWBBL-JGVFFNPUSA-N 1 0 229.280 -1.174 20 0 BAADRO CCOC(=O)[C@@H](N)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000595919700 348401409 /nfs/dbraw/zinc/40/14/09/348401409.db2.gz MFSULJZAIZWBBL-SFYZADRCSA-N 1 0 229.280 -1.174 20 0 BAADRO CCOC(=O)[C@@H](N)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000595919701 348401148 /nfs/dbraw/zinc/40/11/48/348401148.db2.gz MFSULJZAIZWBBL-YUMQZZPRSA-N 1 0 229.280 -1.174 20 0 BAADRO CC[NH2+]CCCNC(=O)[C@@H](N)C(=O)OCC ZINC000595920291 348401074 /nfs/dbraw/zinc/40/10/74/348401074.db2.gz QJXMHAXYCNUNLF-MRVPVSSYSA-N 1 0 231.296 -1.007 20 0 BAADRO CC[NH2+]CCCNC(=O)[C@H](N)C(=O)OCC ZINC000595920294 348401029 /nfs/dbraw/zinc/40/10/29/348401029.db2.gz QJXMHAXYCNUNLF-QMMMGPOBSA-N 1 0 231.296 -1.007 20 0 BAADRO CC(C)OC(=O)CCNC(=O)C1(O)C[NH2+]C1 ZINC000595922604 348401988 /nfs/dbraw/zinc/40/19/88/348401988.db2.gz IMCDPPORVCODOE-UHFFFAOYSA-N 1 0 230.264 -1.221 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000595924075 348401787 /nfs/dbraw/zinc/40/17/87/348401787.db2.gz HBROZNLNMOFZMB-HTQZYQBOSA-N 1 0 231.296 -1.024 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)NC[C@H]([NH3+])C(C)C ZINC000595924076 348401690 /nfs/dbraw/zinc/40/16/90/348401690.db2.gz HBROZNLNMOFZMB-JGVFFNPUSA-N 1 0 231.296 -1.024 20 0 BAADRO CCOC(=O)[C@@H](N)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000595924077 348401683 /nfs/dbraw/zinc/40/16/83/348401683.db2.gz HBROZNLNMOFZMB-SFYZADRCSA-N 1 0 231.296 -1.024 20 0 BAADRO CCOC(=O)[C@@H](N)C(=O)NC[C@H]([NH3+])C(C)C ZINC000595924078 348401808 /nfs/dbraw/zinc/40/18/08/348401808.db2.gz HBROZNLNMOFZMB-YUMQZZPRSA-N 1 0 231.296 -1.024 20 0 BAADRO CCOC(=O)[C@@H](N)C(=O)NCC(C)(C)[NH3+] ZINC000595924193 348401950 /nfs/dbraw/zinc/40/19/50/348401950.db2.gz HPNYOLBJZWKMIH-LURJTMIESA-N 1 0 217.269 -1.270 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)NCC(C)(C)[NH3+] ZINC000595924194 348402268 /nfs/dbraw/zinc/40/22/68/348402268.db2.gz HPNYOLBJZWKMIH-ZCFIWIBFSA-N 1 0 217.269 -1.270 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000595924198 348402522 /nfs/dbraw/zinc/40/25/22/348402522.db2.gz HTHUCVJCFJMRIK-HTQZYQBOSA-N 1 0 229.280 -1.303 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000595924199 348402254 /nfs/dbraw/zinc/40/22/54/348402254.db2.gz HTHUCVJCFJMRIK-JGVFFNPUSA-N 1 0 229.280 -1.303 20 0 BAADRO CCOC(=O)[C@@H](N)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000595924200 348402370 /nfs/dbraw/zinc/40/23/70/348402370.db2.gz HTHUCVJCFJMRIK-SFYZADRCSA-N 1 0 229.280 -1.303 20 0 BAADRO CCOC(=O)[C@@H](N)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000595924201 348402347 /nfs/dbraw/zinc/40/23/47/348402347.db2.gz HTHUCVJCFJMRIK-YUMQZZPRSA-N 1 0 229.280 -1.303 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)NCC[NH2+]C1CC1 ZINC000595924494 348402586 /nfs/dbraw/zinc/40/25/86/348402586.db2.gz KSFMZVIFYFCYLS-MRVPVSSYSA-N 1 0 229.280 -1.255 20 0 BAADRO CCOC(=O)[C@@H](N)C(=O)NCC[NH2+]C1CC1 ZINC000595924495 348402202 /nfs/dbraw/zinc/40/22/02/348402202.db2.gz KSFMZVIFYFCYLS-QMMMGPOBSA-N 1 0 229.280 -1.255 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000595924503 348402472 /nfs/dbraw/zinc/40/24/72/348402472.db2.gz LIKAWHCQRDVZLU-HTQZYQBOSA-N 1 0 229.280 -1.303 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000595924504 348402215 /nfs/dbraw/zinc/40/22/15/348402215.db2.gz LIKAWHCQRDVZLU-JGVFFNPUSA-N 1 0 229.280 -1.303 20 0 BAADRO CCOC(=O)[C@@H](N)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000595924505 348402531 /nfs/dbraw/zinc/40/25/31/348402531.db2.gz LIKAWHCQRDVZLU-SFYZADRCSA-N 1 0 229.280 -1.303 20 0 BAADRO CCOC(=O)[C@@H](N)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000595924506 348402243 /nfs/dbraw/zinc/40/22/43/348402243.db2.gz LIKAWHCQRDVZLU-YUMQZZPRSA-N 1 0 229.280 -1.303 20 0 BAADRO CCOC(=O)CCNC(=O)C1(O)C[NH2+]C1 ZINC000595924668 348402196 /nfs/dbraw/zinc/40/21/96/348402196.db2.gz IHKVTEOOKNUAOO-UHFFFAOYSA-N 1 0 216.237 -1.610 20 0 BAADRO CC[NH2+]CCNC(=O)[C@@H](N)C(=O)OCC ZINC000595924832 348402463 /nfs/dbraw/zinc/40/24/63/348402463.db2.gz QGHYGBBDUXCIOM-SSDOTTSWSA-N 1 0 217.269 -1.398 20 0 BAADRO CC[NH2+]CCNC(=O)[C@H](N)C(=O)OCC ZINC000595924833 348402386 /nfs/dbraw/zinc/40/23/86/348402386.db2.gz QGHYGBBDUXCIOM-ZETCQYMHSA-N 1 0 217.269 -1.398 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)N(C)CCC[NH3+] ZINC000595924885 348402343 /nfs/dbraw/zinc/40/23/43/348402343.db2.gz SWUWZCUKFCZIHX-SSDOTTSWSA-N 1 0 217.269 -1.316 20 0 BAADRO CCOC(=O)[C@@H](N)C(=O)N(C)CCC[NH3+] ZINC000595924886 348402272 /nfs/dbraw/zinc/40/22/72/348402272.db2.gz SWUWZCUKFCZIHX-ZETCQYMHSA-N 1 0 217.269 -1.316 20 0 BAADRO CCOC(=O)CNC(=O)C1(O)C[NH2+]C1 ZINC000595925100 348402513 /nfs/dbraw/zinc/40/25/13/348402513.db2.gz RWAQILXPDCEIMO-UHFFFAOYSA-N 1 0 202.210 -2.000 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000595925171 348402468 /nfs/dbraw/zinc/40/24/68/348402468.db2.gz WNQPFQKSEYDEQY-HTQZYQBOSA-N 1 0 229.280 -1.255 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000595925172 348402284 /nfs/dbraw/zinc/40/22/84/348402284.db2.gz WNQPFQKSEYDEQY-JGVFFNPUSA-N 1 0 229.280 -1.255 20 0 BAADRO CCOC(=O)[C@@H](N)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000595925173 348402417 /nfs/dbraw/zinc/40/24/17/348402417.db2.gz WNQPFQKSEYDEQY-SFYZADRCSA-N 1 0 229.280 -1.255 20 0 BAADRO CCOC(=O)[C@@H](N)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000595925174 348402410 /nfs/dbraw/zinc/40/24/10/348402410.db2.gz WNQPFQKSEYDEQY-YUMQZZPRSA-N 1 0 229.280 -1.255 20 0 BAADRO CC[C@H](NC(=O)C1(O)C[NH2+]C1)C(=O)OC ZINC000595925950 348391547 /nfs/dbraw/zinc/39/15/47/348391547.db2.gz ZIDYEKMNHYMNIR-LURJTMIESA-N 1 0 216.237 -1.612 20 0 BAADRO CC[C@@H](NC(=O)C1(O)C[NH2+]C1)C(=O)OC ZINC000595925955 348391680 /nfs/dbraw/zinc/39/16/80/348391680.db2.gz ZIDYEKMNHYMNIR-ZCFIWIBFSA-N 1 0 216.237 -1.612 20 0 BAADRO CC[C@H]([NH2+]C)C(=O)NCCC(=O)NC(N)=O ZINC000595928203 348392264 /nfs/dbraw/zinc/39/22/64/348392264.db2.gz ALEBJNCCMXPSTE-LURJTMIESA-N 1 0 230.268 -1.314 20 0 BAADRO CC[C@@H]([NH2+]C)C(=O)NCCC(=O)NC(N)=O ZINC000595928204 348392514 /nfs/dbraw/zinc/39/25/14/348392514.db2.gz ALEBJNCCMXPSTE-ZCFIWIBFSA-N 1 0 230.268 -1.314 20 0 BAADRO CC(C)[NH2+]CC(=O)NCCC(=O)NC(N)=O ZINC000595928206 348392635 /nfs/dbraw/zinc/39/26/35/348392635.db2.gz ALQUOUBFCMFJHX-UHFFFAOYSA-N 1 0 230.268 -1.314 20 0 BAADRO COC(=O)CCCNC(=O)C1(O)C[NH2+]C1 ZINC000595928437 348391691 /nfs/dbraw/zinc/39/16/91/348391691.db2.gz GBFDECQNZVJTPL-UHFFFAOYSA-N 1 0 216.237 -1.610 20 0 BAADRO COC(=O)CCNC(=O)C1(O)C[NH2+]C1 ZINC000595928704 348392421 /nfs/dbraw/zinc/39/24/21/348392421.db2.gz FBBDABFLVLUCDL-UHFFFAOYSA-N 1 0 202.210 -2.000 20 0 BAADRO COC(=O)[C@@H](C)NC(=O)C1(O)C[NH2+]C1 ZINC000595930111 348392617 /nfs/dbraw/zinc/39/26/17/348392617.db2.gz PQCFKLGIBMRWNL-RXMQYKEDSA-N 1 0 202.210 -2.002 20 0 BAADRO COC(=O)[C@H](C)NC(=O)C1(O)C[NH2+]C1 ZINC000595930112 348392543 /nfs/dbraw/zinc/39/25/43/348392543.db2.gz PQCFKLGIBMRWNL-YFKPBYRVSA-N 1 0 202.210 -2.002 20 0 BAADRO CCOC(=O)CCCNC(=O)C1(O)C[NH2+]C1 ZINC000595930852 348392849 /nfs/dbraw/zinc/39/28/49/348392849.db2.gz WGLILYQSMPLBGG-UHFFFAOYSA-N 1 0 230.264 -1.220 20 0 BAADRO COC(=O)[C@@H](C)CNC(=O)C1(O)C[NH2+]C1 ZINC000595932736 348393614 /nfs/dbraw/zinc/39/36/14/348393614.db2.gz QLMBHVQAWZXCAQ-LURJTMIESA-N 1 0 216.237 -1.754 20 0 BAADRO COC(=O)[C@H](C)CNC(=O)C1(O)C[NH2+]C1 ZINC000595932737 348393885 /nfs/dbraw/zinc/39/38/85/348393885.db2.gz QLMBHVQAWZXCAQ-ZCFIWIBFSA-N 1 0 216.237 -1.754 20 0 BAADRO COC(=O)CCCCNC(=O)C1(O)C[NH2+]C1 ZINC000595935091 348393570 /nfs/dbraw/zinc/39/35/70/348393570.db2.gz YMSMARLGMUZITI-UHFFFAOYSA-N 1 0 230.264 -1.220 20 0 BAADRO COC(=O)CSCCNC(=O)C1(O)C[NH2+]C1 ZINC000595938170 348408774 /nfs/dbraw/zinc/40/87/74/348408774.db2.gz WYNMOKIIDSKYOM-UHFFFAOYSA-N 1 0 248.304 -1.657 20 0 BAADRO NC(=O)NC(=O)CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000595940393 348409304 /nfs/dbraw/zinc/40/93/04/348409304.db2.gz DWAQBZZECIRFTE-IZLXSQMJSA-N 1 0 228.252 -1.575 20 0 BAADRO COC(=O)C(C)(C)CNC(=O)C1(O)C[NH2+]C1 ZINC000595945911 348411667 /nfs/dbraw/zinc/41/16/67/348411667.db2.gz QLLMBXIJINVROW-UHFFFAOYSA-N 1 0 230.264 -1.364 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000595946819 348411414 /nfs/dbraw/zinc/41/14/14/348411414.db2.gz IBPAAWYAKMHFMT-HTQZYQBOSA-N 1 0 229.280 -1.270 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000595946820 348411744 /nfs/dbraw/zinc/41/17/44/348411744.db2.gz IBPAAWYAKMHFMT-JGVFFNPUSA-N 1 0 229.280 -1.270 20 0 BAADRO CCOC(=O)[C@@H](N)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000595946821 348411707 /nfs/dbraw/zinc/41/17/07/348411707.db2.gz IBPAAWYAKMHFMT-SFYZADRCSA-N 1 0 229.280 -1.270 20 0 BAADRO CCOC(=O)[C@@H](N)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000595946822 348411833 /nfs/dbraw/zinc/41/18/33/348411833.db2.gz IBPAAWYAKMHFMT-YUMQZZPRSA-N 1 0 229.280 -1.270 20 0 BAADRO CCC[NH2+]CCNC(=O)[C@@H](N)C(=O)OCC ZINC000595946843 348411574 /nfs/dbraw/zinc/41/15/74/348411574.db2.gz IQBSBDFYVXKMAE-MRVPVSSYSA-N 1 0 231.296 -1.007 20 0 BAADRO CCC[NH2+]CCNC(=O)[C@H](N)C(=O)OCC ZINC000595946844 348411464 /nfs/dbraw/zinc/41/14/64/348411464.db2.gz IQBSBDFYVXKMAE-QMMMGPOBSA-N 1 0 231.296 -1.007 20 0 BAADRO CCOC(=O)[C@@H](N)C(=O)NC[C@@H](C)C[NH3+] ZINC000595947758 348402907 /nfs/dbraw/zinc/40/29/07/348402907.db2.gz NVOMJQJGTYGTFI-BQBZGAKWSA-N 1 0 217.269 -1.412 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)NC[C@@H](C)C[NH3+] ZINC000595947759 348402897 /nfs/dbraw/zinc/40/28/97/348402897.db2.gz NVOMJQJGTYGTFI-NKWVEPMBSA-N 1 0 217.269 -1.412 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)NC[C@H](C)C[NH3+] ZINC000595947760 348403021 /nfs/dbraw/zinc/40/30/21/348403021.db2.gz NVOMJQJGTYGTFI-RNFRBKRXSA-N 1 0 217.269 -1.412 20 0 BAADRO CCOC(=O)[C@@H](N)C(=O)NC[C@H](C)C[NH3+] ZINC000595947761 348402832 /nfs/dbraw/zinc/40/28/32/348402832.db2.gz NVOMJQJGTYGTFI-RQJHMYQMSA-N 1 0 217.269 -1.412 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)NCC1([NH3+])CCC1 ZINC000595947817 348402989 /nfs/dbraw/zinc/40/29/89/348402989.db2.gz OGIOMHCYHVACHQ-SSDOTTSWSA-N 1 0 229.280 -1.126 20 0 BAADRO CCOC(=O)[C@@H](N)C(=O)NCC1([NH3+])CCC1 ZINC000595947831 348402887 /nfs/dbraw/zinc/40/28/87/348402887.db2.gz OGIOMHCYHVACHQ-ZETCQYMHSA-N 1 0 229.280 -1.126 20 0 BAADRO CC[NH2+][C@H](C)CNC(=O)[C@@H](N)C(=O)OCC ZINC000595948897 348402991 /nfs/dbraw/zinc/40/29/91/348402991.db2.gz CCGHUGVPPWJOHE-HTQZYQBOSA-N 1 0 231.296 -1.009 20 0 BAADRO CC[NH2+][C@H](C)CNC(=O)[C@H](N)C(=O)OCC ZINC000595948899 348403103 /nfs/dbraw/zinc/40/31/03/348403103.db2.gz CCGHUGVPPWJOHE-SFYZADRCSA-N 1 0 231.296 -1.009 20 0 BAADRO CCOC(=O)[C@H](C)CNC(=O)C1(O)C[NH2+]C1 ZINC000595949037 348403130 /nfs/dbraw/zinc/40/31/30/348403130.db2.gz WVTIFOSVUYIQHC-SSDOTTSWSA-N 1 0 230.264 -1.364 20 0 BAADRO CCOC(=O)[C@@H](C)CNC(=O)C1(O)C[NH2+]C1 ZINC000595949038 348402933 /nfs/dbraw/zinc/40/29/33/348402933.db2.gz WVTIFOSVUYIQHC-ZETCQYMHSA-N 1 0 230.264 -1.364 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000595950394 348403488 /nfs/dbraw/zinc/40/34/88/348403488.db2.gz LLTBJLLAFDDXPG-BIIVOSGPSA-N 1 0 247.270 -1.307 20 0 BAADRO CCOC(=O)[C@@H](N)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000595950398 348403499 /nfs/dbraw/zinc/40/34/99/348403499.db2.gz LLTBJLLAFDDXPG-FXQIFTODSA-N 1 0 247.270 -1.307 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000595950849 348403532 /nfs/dbraw/zinc/40/35/32/348403532.db2.gz MQSAHAZMNBUQKU-DJLDLDEBSA-N 1 0 243.307 -1.009 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000595950850 348403509 /nfs/dbraw/zinc/40/35/09/348403509.db2.gz MQSAHAZMNBUQKU-HRDYMLBCSA-N 1 0 243.307 -1.009 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000595950851 348403496 /nfs/dbraw/zinc/40/34/96/348403496.db2.gz MQSAHAZMNBUQKU-IWSPIJDZSA-N 1 0 243.307 -1.009 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000595950852 348403632 /nfs/dbraw/zinc/40/36/32/348403632.db2.gz MQSAHAZMNBUQKU-XHNCKOQMSA-N 1 0 243.307 -1.009 20 0 BAADRO COC(=O)C1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000595951398 348403638 /nfs/dbraw/zinc/40/36/38/348403638.db2.gz KHITVFDBHVNUIG-UHFFFAOYSA-N 1 0 242.275 -1.268 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000595951684 348403737 /nfs/dbraw/zinc/40/37/37/348403737.db2.gz TZLJGQKTEUGRIH-BIIVOSGPSA-N 1 0 229.280 -1.175 20 0 BAADRO COC(=O)[C@H](C)CN(C)C(=O)C1(O)C[NH2+]C1 ZINC000595952320 348403447 /nfs/dbraw/zinc/40/34/47/348403447.db2.gz OTMGOLXMANJBKX-SSDOTTSWSA-N 1 0 230.264 -1.412 20 0 BAADRO COC(=O)[C@@H](C)CN(C)C(=O)C1(O)C[NH2+]C1 ZINC000595952321 348403520 /nfs/dbraw/zinc/40/35/20/348403520.db2.gz OTMGOLXMANJBKX-ZETCQYMHSA-N 1 0 230.264 -1.412 20 0 BAADRO CCOC(=O)[C@@H](N)C(=O)NC[C@@H]([NH3+])CC ZINC000595953209 348404055 /nfs/dbraw/zinc/40/40/55/348404055.db2.gz XLVCMMGZEQJSOK-BQBZGAKWSA-N 1 0 217.269 -1.270 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)NC[C@@H]([NH3+])CC ZINC000595953210 348404193 /nfs/dbraw/zinc/40/41/93/348404193.db2.gz XLVCMMGZEQJSOK-NKWVEPMBSA-N 1 0 217.269 -1.270 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)NC[C@H]([NH3+])CC ZINC000595953211 348404272 /nfs/dbraw/zinc/40/42/72/348404272.db2.gz XLVCMMGZEQJSOK-RNFRBKRXSA-N 1 0 217.269 -1.270 20 0 BAADRO CCOC(=O)[C@@H](N)C(=O)NC[C@H]([NH3+])CC ZINC000595953212 348404188 /nfs/dbraw/zinc/40/41/88/348404188.db2.gz XLVCMMGZEQJSOK-RQJHMYQMSA-N 1 0 217.269 -1.270 20 0 BAADRO COC[C@H](NC(=O)C1(O)C[NH2+]C1)C(=O)OC ZINC000595953927 348404147 /nfs/dbraw/zinc/40/41/47/348404147.db2.gz ONHALVURAIZZFQ-LURJTMIESA-N 1 0 232.236 -2.375 20 0 BAADRO COC[C@@H](NC(=O)C1(O)C[NH2+]C1)C(=O)OC ZINC000595953928 348404105 /nfs/dbraw/zinc/40/41/05/348404105.db2.gz ONHALVURAIZZFQ-ZCFIWIBFSA-N 1 0 232.236 -2.375 20 0 BAADRO COC(=O)[C@@]1(C)CCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000595954543 348404343 /nfs/dbraw/zinc/40/43/43/348404343.db2.gz VGSSXVGAJXSGPE-JTQLQIEISA-N 1 0 242.275 -1.268 20 0 BAADRO COC(=O)[C@]1(C)CCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000595954544 348404225 /nfs/dbraw/zinc/40/42/25/348404225.db2.gz VGSSXVGAJXSGPE-SNVBAGLBSA-N 1 0 242.275 -1.268 20 0 BAADRO COC(=O)[C@H]1CC[C@@H](NC(=O)C2(O)C[NH2+]C2)C1 ZINC000595955443 348404201 /nfs/dbraw/zinc/40/42/01/348404201.db2.gz YYHBJVSHRBTTFI-JGVFFNPUSA-N 1 0 242.275 -1.221 20 0 BAADRO COC(=O)[C@H]1CCCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000595956006 348404871 /nfs/dbraw/zinc/40/48/71/348404871.db2.gz GBARXGHUZVPMLM-QMMMGPOBSA-N 1 0 242.275 -1.268 20 0 BAADRO COC(=O)C1(CNC(=O)C2(O)C[NH2+]C2)CC1 ZINC000595957101 348404675 /nfs/dbraw/zinc/40/46/75/348404675.db2.gz UTSVCGHPZQPHOV-UHFFFAOYSA-N 1 0 228.248 -1.610 20 0 BAADRO COC(=O)[C@H]1CN(C(=O)C2(O)C[NH2+]C2)CCO1 ZINC000595959580 348404612 /nfs/dbraw/zinc/40/46/12/348404612.db2.gz VRHAQOSFALXMEO-SSDOTTSWSA-N 1 0 244.247 -2.279 20 0 BAADRO COC(=O)[C@@H]1CN(C(=O)C2(O)C[NH2+]C2)CCO1 ZINC000595959581 348404919 /nfs/dbraw/zinc/40/49/19/348404919.db2.gz VRHAQOSFALXMEO-ZETCQYMHSA-N 1 0 244.247 -2.279 20 0 BAADRO CCOC(=O)[C@@H](N)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000595964837 348406219 /nfs/dbraw/zinc/40/62/19/348406219.db2.gz TZLJGQKTEUGRIH-FXQIFTODSA-N 1 0 229.280 -1.175 20 0 BAADRO COC(=O)CCCN(C)C(=O)C1(O)C[NH2+]C1 ZINC000595971391 348407581 /nfs/dbraw/zinc/40/75/81/348407581.db2.gz LTZDXQSIZXKHAI-UHFFFAOYSA-N 1 0 230.264 -1.268 20 0 BAADRO COC(=O)[C@H]1C[C@@H](NC(=O)C2(O)C[NH2+]C2)C1 ZINC000595974817 348407404 /nfs/dbraw/zinc/40/74/04/348407404.db2.gz JDBYXZRNQSFVQF-KNVOCYPGSA-N 1 0 228.248 -1.612 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000595979624 348414449 /nfs/dbraw/zinc/41/44/49/348414449.db2.gz AWZGQBWEGBRDQA-JKDSDDBFSA-N 1 0 241.291 -1.255 20 0 BAADRO CCOC(=O)[C@@H](N)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000595979625 348414168 /nfs/dbraw/zinc/41/41/68/348414168.db2.gz AWZGQBWEGBRDQA-KAIZJQOQSA-N 1 0 241.291 -1.255 20 0 BAADRO COC(=O)[C@H]1C[C@H](NC(=O)C2(O)C[NH2+]C2)C1 ZINC000595982369 348417725 /nfs/dbraw/zinc/41/77/25/348417725.db2.gz JDBYXZRNQSFVQF-LJGSYFOKSA-N 1 0 228.248 -1.612 20 0 BAADRO COC(=O)[C@H]1C[C@H](NC(=O)CNC(=O)C[NH3+])C1 ZINC000595987908 348420114 /nfs/dbraw/zinc/42/01/14/348420114.db2.gz CWHGTTHPLHVFOW-LJGSYFOKSA-N 1 0 243.263 -1.871 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595988542 348420045 /nfs/dbraw/zinc/42/00/45/348420045.db2.gz HPQQFIAYTVSXQQ-BWZBUEFSSA-N 1 0 247.270 -1.226 20 0 BAADRO CCOC(=O)[C@@H](N)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595988544 348420198 /nfs/dbraw/zinc/42/01/98/348420198.db2.gz HPQQFIAYTVSXQQ-PRJMDXOYSA-N 1 0 247.270 -1.226 20 0 BAADRO COC(=O)C[C@H]([NH3+])C(=O)NCCOCCF ZINC000595993628 348421588 /nfs/dbraw/zinc/42/15/88/348421588.db2.gz YXLUKHIQDSSVTP-ZETCQYMHSA-N 1 0 236.243 -1.021 20 0 BAADRO NC(=O)NC(=O)CC[NH2+][C@H]1C[C@H](O)C1 ZINC000596066510 348436770 /nfs/dbraw/zinc/43/67/70/348436770.db2.gz FHEHDONDFFECPS-IZLXSQMJSA-N 1 0 201.226 -1.316 20 0 BAADRO COC(=O)C1(C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)CC1 ZINC000596621607 348595356 /nfs/dbraw/zinc/59/53/56/348595356.db2.gz NSLUXRPYWSEUKD-SFYZADRCSA-N 1 0 242.275 -1.140 20 0 BAADRO COC(=O)[C@@H](CO)NC(=O)C1([NH+](C)C)CC1 ZINC000596719768 348612563 /nfs/dbraw/zinc/61/25/63/348612563.db2.gz UAFWSLNZGXIGPG-SSDOTTSWSA-N 1 0 230.264 -1.269 20 0 BAADRO COC(=O)[C@H](CO)NC(=O)C1([NH+](C)C)CC1 ZINC000596719772 348612430 /nfs/dbraw/zinc/61/24/30/348612430.db2.gz UAFWSLNZGXIGPG-ZETCQYMHSA-N 1 0 230.264 -1.269 20 0 BAADRO C[NH+](C)C1(C(=O)NCCC(=O)NC(N)=O)CC1 ZINC000597363983 348723679 /nfs/dbraw/zinc/72/36/79/348723679.db2.gz ZFBNRMJDNMMVHT-UHFFFAOYSA-N 1 0 242.279 -1.218 20 0 BAADRO COC(=O)[C@@H](O)CNC(=O)C1([NH+](C)C)CC1 ZINC000597456273 385676250 /nfs/dbraw/zinc/67/62/50/385676250.db2.gz ZOSJFILHSDGYHC-ZETCQYMHSA-N 1 0 230.264 -1.269 20 0 BAADRO CCOC(=O)CC(=O)N[C@@H](CO)C[NH+](C)C ZINC000597652637 348775293 /nfs/dbraw/zinc/77/52/93/348775293.db2.gz CXQSZCXPQCMPGQ-MRVPVSSYSA-N 1 0 232.280 -1.022 20 0 BAADRO CCOC(=O)CC(=O)N[C@H](CO)C[NH+](C)C ZINC000597652638 348774915 /nfs/dbraw/zinc/77/49/15/348774915.db2.gz CXQSZCXPQCMPGQ-QMMMGPOBSA-N 1 0 232.280 -1.022 20 0 BAADRO COC(=O)COCC(=O)N[C@@H](CO)C[NH+](C)C ZINC000597653263 348775988 /nfs/dbraw/zinc/77/59/88/348775988.db2.gz IHXFZDQAWYFZNH-MRVPVSSYSA-N 1 0 248.279 -1.785 20 0 BAADRO COC(=O)COCC(=O)N[C@H](CO)C[NH+](C)C ZINC000597653264 348775954 /nfs/dbraw/zinc/77/59/54/348775954.db2.gz IHXFZDQAWYFZNH-QMMMGPOBSA-N 1 0 248.279 -1.785 20 0 BAADRO COCC[N@H+](C)CCNC(=O)C1(C(N)=O)CC1 ZINC000597749181 348813357 /nfs/dbraw/zinc/81/33/57/348813357.db2.gz WHYQDYFUMJGNHE-UHFFFAOYSA-N 1 0 243.307 -1.054 20 0 BAADRO COC(=O)[C@@H]1OCC[C@@H]1NC(=O)C[NH+](C)C ZINC000598011725 398022260 /nfs/dbraw/zinc/02/22/60/398022260.db2.gz XCRQKKJREIBYAG-IONNQARKSA-N 1 0 230.264 -1.005 20 0 BAADRO NC(=O)NC(=O)CN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598681890 398034670 /nfs/dbraw/zinc/03/46/70/398034670.db2.gz KALAPOZBOSBJAB-GMSGAONNSA-N 1 0 226.280 -1.006 20 0 BAADRO NC(=O)NC(=O)CN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598681894 398034576 /nfs/dbraw/zinc/03/45/76/398034576.db2.gz KALAPOZBOSBJAB-OIBJUYFYSA-N 1 0 226.280 -1.006 20 0 BAADRO NC(=O)NC(=O)CN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598681897 398034519 /nfs/dbraw/zinc/03/45/19/398034519.db2.gz KALAPOZBOSBJAB-XCBNKYQSSA-N 1 0 226.280 -1.006 20 0 BAADRO NC(=O)NC(=O)CN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598681898 398034867 /nfs/dbraw/zinc/03/48/67/398034867.db2.gz KALAPOZBOSBJAB-XVKPBYJWSA-N 1 0 226.280 -1.006 20 0 BAADRO COC(=O)[C@H]1CN(C(=O)CO)CC[N@H+](C)C1 ZINC000598794060 349045867 /nfs/dbraw/zinc/04/58/67/349045867.db2.gz ZWKPJYLUMOVEDL-MRVPVSSYSA-N 1 0 230.264 -1.458 20 0 BAADRO COC(=O)[C@@H]1CN(C(=O)CO)CC[N@H+](C)C1 ZINC000598794061 349046036 /nfs/dbraw/zinc/04/60/36/349046036.db2.gz ZWKPJYLUMOVEDL-QMMMGPOBSA-N 1 0 230.264 -1.458 20 0 BAADRO CSCCNc1nc(N)[nH+]c(N)n1 ZINC000599013166 349081190 /nfs/dbraw/zinc/08/11/90/349081190.db2.gz LPOCVTVSQBGAST-UHFFFAOYSA-N 1 0 200.271 -1.106 20 0 BAADRO COC(=O)CCNc1nc(N)[nH+]c(N)n1 ZINC000599013869 349082203 /nfs/dbraw/zinc/08/22/03/349082203.db2.gz OAFIEVBIJOBLFH-UHFFFAOYSA-N 1 0 212.213 -1.906 20 0 BAADRO CC(C)OC(=O)CCNc1nc(N)[nH+]c(N)n1 ZINC000599016034 349082116 /nfs/dbraw/zinc/08/21/16/349082116.db2.gz HUCMAAAHQHCLPY-UHFFFAOYSA-N 1 0 240.267 -1.128 20 0 BAADRO CCOC(=O)CCCNc1nc(N)[nH+]c(N)n1 ZINC000599019069 349077026 /nfs/dbraw/zinc/07/70/26/349077026.db2.gz PWANZXPQDKEZNE-UHFFFAOYSA-N 1 0 240.267 -1.126 20 0 BAADRO COC(=O)[C@@H]1CCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000599024478 349077998 /nfs/dbraw/zinc/07/79/98/349077998.db2.gz ROOAXJCSIJRZSQ-RXMQYKEDSA-N 1 0 238.251 -1.304 20 0 BAADRO COC(=O)[C@H]1CCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000599024479 349077795 /nfs/dbraw/zinc/07/77/95/349077795.db2.gz ROOAXJCSIJRZSQ-YFKPBYRVSA-N 1 0 238.251 -1.304 20 0 BAADRO CCOC(=O)CCNc1nc(N)[nH+]c(N)n1 ZINC000599029106 349079869 /nfs/dbraw/zinc/07/98/69/349079869.db2.gz ZBDHVUNDGVEJBT-UHFFFAOYSA-N 1 0 226.240 -1.516 20 0 BAADRO COC(=O)CCCCNc1nc(N)[nH+]c(N)n1 ZINC000599035707 349080142 /nfs/dbraw/zinc/08/01/42/349080142.db2.gz TUNWMYOOCWSVLN-UHFFFAOYSA-N 1 0 240.267 -1.126 20 0 BAADRO Nc1nc(NCCSCCCO)nc(N)[nH+]1 ZINC000599037490 349080627 /nfs/dbraw/zinc/08/06/27/349080627.db2.gz DLGQDTRHFHFHJA-UHFFFAOYSA-N 1 0 244.324 -1.354 20 0 BAADRO COC(=O)[C@@H](C)CNc1nc(N)[nH+]c(N)n1 ZINC000599039377 349081173 /nfs/dbraw/zinc/08/11/73/349081173.db2.gz XLJBDVYYLQOHIZ-BYPYZUCNSA-N 1 0 226.240 -1.660 20 0 BAADRO COC(=O)[C@H](C)CNc1nc(N)[nH+]c(N)n1 ZINC000599039382 349081279 /nfs/dbraw/zinc/08/12/79/349081279.db2.gz XLJBDVYYLQOHIZ-SCSAIBSYSA-N 1 0 226.240 -1.660 20 0 BAADRO CS[C@H](CO)[C@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000599047261 349089798 /nfs/dbraw/zinc/08/97/98/349089798.db2.gz RGWJBMZWKCWXHF-CRCLSJGQSA-N 1 0 244.324 -1.357 20 0 BAADRO CS[C@H](CO)[C@@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000599047262 349090013 /nfs/dbraw/zinc/09/00/13/349090013.db2.gz RGWJBMZWKCWXHF-RFZPGFLSSA-N 1 0 244.324 -1.357 20 0 BAADRO CS[C@@H](CO)[C@@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000599047263 349089652 /nfs/dbraw/zinc/08/96/52/349089652.db2.gz RGWJBMZWKCWXHF-UHNVWZDZSA-N 1 0 244.324 -1.357 20 0 BAADRO CS[C@@H](CO)[C@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000599047264 349089976 /nfs/dbraw/zinc/08/99/76/349089976.db2.gz RGWJBMZWKCWXHF-WHFBIAKZSA-N 1 0 244.324 -1.357 20 0 BAADRO CSC[C@](C)(O)CNc1nc(N)[nH+]c(N)n1 ZINC000599047286 349090050 /nfs/dbraw/zinc/09/00/50/349090050.db2.gz RZLZGSLALKQNHK-MRVPVSSYSA-N 1 0 244.324 -1.355 20 0 BAADRO CSC[C@@](C)(O)CNc1nc(N)[nH+]c(N)n1 ZINC000599047287 349089849 /nfs/dbraw/zinc/08/98/49/349089849.db2.gz RZLZGSLALKQNHK-QMMMGPOBSA-N 1 0 244.324 -1.355 20 0 BAADRO CSC[C@@H](CCO)Nc1nc(N)[nH+]c(N)n1 ZINC000599047664 349089732 /nfs/dbraw/zinc/08/97/32/349089732.db2.gz DCMGHIHSNJCNNT-RXMQYKEDSA-N 1 0 244.324 -1.355 20 0 BAADRO CSC[C@H](CCO)Nc1nc(N)[nH+]c(N)n1 ZINC000599047665 349089906 /nfs/dbraw/zinc/08/99/06/349089906.db2.gz DCMGHIHSNJCNNT-YFKPBYRVSA-N 1 0 244.324 -1.355 20 0 BAADRO C[C@H](CC[S@](C)=O)Nc1nc(N)[nH+]c(N)n1 ZINC000599051090 349083842 /nfs/dbraw/zinc/08/38/42/349083842.db2.gz FFCJCHVIFGLVTN-CKPWKLJSSA-N 1 0 244.324 -1.312 20 0 BAADRO C[C@@H](CC[S@](C)=O)Nc1nc(N)[nH+]c(N)n1 ZINC000599051092 349083520 /nfs/dbraw/zinc/08/35/20/349083520.db2.gz FFCJCHVIFGLVTN-NTZVCXBSSA-N 1 0 244.324 -1.312 20 0 BAADRO C[C@@H](CC[S@@](C)=O)Nc1nc(N)[nH+]c(N)n1 ZINC000599051093 349083635 /nfs/dbraw/zinc/08/36/35/349083635.db2.gz FFCJCHVIFGLVTN-RTACJLRHSA-N 1 0 244.324 -1.312 20 0 BAADRO C[C@H](CC[S@@](C)=O)Nc1nc(N)[nH+]c(N)n1 ZINC000599051094 349083817 /nfs/dbraw/zinc/08/38/17/349083817.db2.gz FFCJCHVIFGLVTN-XBSMWNEMSA-N 1 0 244.324 -1.312 20 0 BAADRO C[C@H](CCNc1nc(N)[nH+]c(N)n1)[S@](C)=O ZINC000599056090 349084833 /nfs/dbraw/zinc/08/48/33/349084833.db2.gz JNFDKWURNHBKNM-CKPWKLJSSA-N 1 0 244.324 -1.312 20 0 BAADRO C[C@@H](CCNc1nc(N)[nH+]c(N)n1)[S@](C)=O ZINC000599056092 349084809 /nfs/dbraw/zinc/08/48/09/349084809.db2.gz JNFDKWURNHBKNM-NTZVCXBSSA-N 1 0 244.324 -1.312 20 0 BAADRO C[C@@H](CCNc1nc(N)[nH+]c(N)n1)[S@@](C)=O ZINC000599056093 349084465 /nfs/dbraw/zinc/08/44/65/349084465.db2.gz JNFDKWURNHBKNM-RTACJLRHSA-N 1 0 244.324 -1.312 20 0 BAADRO C[C@H](CCNc1nc(N)[nH+]c(N)n1)[S@@](C)=O ZINC000599056095 349084727 /nfs/dbraw/zinc/08/47/27/349084727.db2.gz JNFDKWURNHBKNM-XBSMWNEMSA-N 1 0 244.324 -1.312 20 0 BAADRO COC(=O)[C@H](C)CN(C)c1nc(N)[nH+]c(N)n1 ZINC000599057897 349085482 /nfs/dbraw/zinc/08/54/82/349085482.db2.gz COTYRBBIEHCIQF-RXMQYKEDSA-N 1 0 240.267 -1.058 20 0 BAADRO COC(=O)[C@@H](C)CN(C)c1nc(N)[nH+]c(N)n1 ZINC000599057908 349085152 /nfs/dbraw/zinc/08/51/52/349085152.db2.gz COTYRBBIEHCIQF-YFKPBYRVSA-N 1 0 240.267 -1.058 20 0 BAADRO CCOC(=O)C[C@@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000599058753 349085585 /nfs/dbraw/zinc/08/55/85/349085585.db2.gz USWKLNYOGJKINP-RXMQYKEDSA-N 1 0 240.267 -1.128 20 0 BAADRO CCOC(=O)C[C@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000599058754 349085646 /nfs/dbraw/zinc/08/56/46/349085646.db2.gz USWKLNYOGJKINP-YFKPBYRVSA-N 1 0 240.267 -1.128 20 0 BAADRO COC(=O)C(C)(C)CNc1nc(N)[nH+]c(N)n1 ZINC000599059727 349085500 /nfs/dbraw/zinc/08/55/00/349085500.db2.gz CWKGLDNQITZPPU-UHFFFAOYSA-N 1 0 240.267 -1.270 20 0 BAADRO CCOC(=O)[C@H](C)CNc1nc(N)[nH+]c(N)n1 ZINC000599060330 349085612 /nfs/dbraw/zinc/08/56/12/349085612.db2.gz HQOOHIPRWQXXBZ-RXMQYKEDSA-N 1 0 240.267 -1.270 20 0 BAADRO CCOC(=O)[C@@H](C)CNc1nc(N)[nH+]c(N)n1 ZINC000599060331 349085624 /nfs/dbraw/zinc/08/56/24/349085624.db2.gz HQOOHIPRWQXXBZ-YFKPBYRVSA-N 1 0 240.267 -1.270 20 0 BAADRO C[C@H](C[S@](C)=O)N(C)c1nc(N)[nH+]c(N)n1 ZINC000599064482 349086379 /nfs/dbraw/zinc/08/63/79/349086379.db2.gz BCZRHXBZVPMFEI-CKPWKLJSSA-N 1 0 244.324 -1.100 20 0 BAADRO C[C@@H](C[S@](C)=O)N(C)c1nc(N)[nH+]c(N)n1 ZINC000599064483 349086461 /nfs/dbraw/zinc/08/64/61/349086461.db2.gz BCZRHXBZVPMFEI-NTZVCXBSSA-N 1 0 244.324 -1.100 20 0 BAADRO C[C@@H](C[S@@](C)=O)N(C)c1nc(N)[nH+]c(N)n1 ZINC000599064484 349086175 /nfs/dbraw/zinc/08/61/75/349086175.db2.gz BCZRHXBZVPMFEI-RTACJLRHSA-N 1 0 244.324 -1.100 20 0 BAADRO C[C@H](C[S@@](C)=O)N(C)c1nc(N)[nH+]c(N)n1 ZINC000599064485 349086366 /nfs/dbraw/zinc/08/63/66/349086366.db2.gz BCZRHXBZVPMFEI-XBSMWNEMSA-N 1 0 244.324 -1.100 20 0 BAADRO C[C@H](C[S@](C)=O)Nc1nc(N)[nH+]c(N)n1 ZINC000599066645 349086763 /nfs/dbraw/zinc/08/67/63/349086763.db2.gz UQDMGGCUOVGZLX-BHEZAOBHSA-N 1 0 230.297 -1.702 20 0 BAADRO C[C@@H](C[S@@](C)=O)Nc1nc(N)[nH+]c(N)n1 ZINC000599066646 349087356 /nfs/dbraw/zinc/08/73/56/349087356.db2.gz UQDMGGCUOVGZLX-DJBYBYECSA-N 1 0 230.297 -1.702 20 0 BAADRO C[C@@H](C[S@](C)=O)Nc1nc(N)[nH+]c(N)n1 ZINC000599066647 349087337 /nfs/dbraw/zinc/08/73/37/349087337.db2.gz UQDMGGCUOVGZLX-NMAPHRJESA-N 1 0 230.297 -1.702 20 0 BAADRO C[C@H](C[S@@](C)=O)Nc1nc(N)[nH+]c(N)n1 ZINC000599066648 349086798 /nfs/dbraw/zinc/08/67/98/349086798.db2.gz UQDMGGCUOVGZLX-ZTEZBTDTSA-N 1 0 230.297 -1.702 20 0 BAADRO COC(=O)[C@](C)(O)CNc1nc(N)[nH+]c(N)n1 ZINC000599067578 349087136 /nfs/dbraw/zinc/08/71/36/349087136.db2.gz GCIBNDVOTGUWFZ-MRVPVSSYSA-N 1 0 242.239 -2.545 20 0 BAADRO COC(=O)[C@@](C)(O)CNc1nc(N)[nH+]c(N)n1 ZINC000599067586 349086991 /nfs/dbraw/zinc/08/69/91/349086991.db2.gz GCIBNDVOTGUWFZ-QMMMGPOBSA-N 1 0 242.239 -2.545 20 0 BAADRO COC(=O)C1(CNc2nc(N)[nH+]c(N)n2)CC1 ZINC000599072039 349088183 /nfs/dbraw/zinc/08/81/83/349088183.db2.gz WZUVVCSJSDUWRO-UHFFFAOYSA-N 1 0 238.251 -1.516 20 0 BAADRO C[S@](=O)C1(CNc2nc(N)[nH+]c(N)n2)CC1 ZINC000599073646 349088280 /nfs/dbraw/zinc/08/82/80/349088280.db2.gz GKSYMULBLCJEMW-INIZCTEOSA-N 1 0 242.308 -1.558 20 0 BAADRO C[S@@](=O)C1(CNc2nc(N)[nH+]c(N)n2)CC1 ZINC000599073647 349088152 /nfs/dbraw/zinc/08/81/52/349088152.db2.gz GKSYMULBLCJEMW-MRXNPFEDSA-N 1 0 242.308 -1.558 20 0 BAADRO COC(=O)[C@H]1C[C@@H](Nc2nc(N)[nH+]c(N)n2)C1 ZINC000599086130 349090726 /nfs/dbraw/zinc/09/07/26/349090726.db2.gz JDHOMDAZMNXMDY-SYDPRGILSA-N 1 0 238.251 -1.518 20 0 BAADRO COC(=O)C1(C)CN(c2nc(N)[nH+]c(N)n2)C1 ZINC000599090591 349091298 /nfs/dbraw/zinc/09/12/98/349091298.db2.gz ACEPGACRVLUACW-UHFFFAOYSA-N 1 0 238.251 -1.304 20 0 BAADRO CC[C@H](CNc1nc(N)[nH+]c(N)n1)C(=O)OC ZINC000599094228 349093111 /nfs/dbraw/zinc/09/31/11/349093111.db2.gz DSKPXUAGPAUXCE-RXMQYKEDSA-N 1 0 240.267 -1.270 20 0 BAADRO CC[C@@H](CNc1nc(N)[nH+]c(N)n1)C(=O)OC ZINC000599094229 349092861 /nfs/dbraw/zinc/09/28/61/349092861.db2.gz DSKPXUAGPAUXCE-YFKPBYRVSA-N 1 0 240.267 -1.270 20 0 BAADRO COC(=O)[C@H]1C[C@H](Nc2nc(N)[nH+]c(N)n2)C1 ZINC000599111024 349099298 /nfs/dbraw/zinc/09/92/98/349099298.db2.gz JDHOMDAZMNXMDY-URHBZAFASA-N 1 0 238.251 -1.518 20 0 BAADRO COC(=O)COCCNc1nc(N)[nH+]c(N)n1 ZINC000599159238 349107806 /nfs/dbraw/zinc/10/78/06/349107806.db2.gz MYIAANLQMQSSRM-UHFFFAOYSA-N 1 0 242.239 -2.280 20 0 BAADRO COC(=O)C[C@H](O)CNc1nc(N)[nH+]c(N)n1 ZINC000599165312 349109800 /nfs/dbraw/zinc/10/98/00/349109800.db2.gz PXZPLBGRAGVGML-BYPYZUCNSA-N 1 0 242.239 -2.545 20 0 BAADRO COC(=O)C[C@@H](O)CNc1nc(N)[nH+]c(N)n1 ZINC000599165313 349109855 /nfs/dbraw/zinc/10/98/55/349109855.db2.gz PXZPLBGRAGVGML-SCSAIBSYSA-N 1 0 242.239 -2.545 20 0 BAADRO CCOC(=O)C[C@H](O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000599304541 349141864 /nfs/dbraw/zinc/14/18/64/349141864.db2.gz NNPAXVABGLBLIX-AEJSXWLSSA-N 1 0 247.291 -1.272 20 0 BAADRO CCOC(=O)C[C@@H](O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000599304542 349142458 /nfs/dbraw/zinc/14/24/58/349142458.db2.gz NNPAXVABGLBLIX-KXUCPTDWSA-N 1 0 247.291 -1.272 20 0 BAADRO CCOC(=O)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000599339824 349151755 /nfs/dbraw/zinc/15/17/55/349151755.db2.gz VSMZQKUISDFMGC-AEJSXWLSSA-N 1 0 247.291 -1.272 20 0 BAADRO CCOC(=O)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000599339825 349152030 /nfs/dbraw/zinc/15/20/30/349152030.db2.gz VSMZQKUISDFMGC-BBBLOLIVSA-N 1 0 247.291 -1.272 20 0 BAADRO CCOC(=O)C[C@H](O)C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000599339826 349151979 /nfs/dbraw/zinc/15/19/79/349151979.db2.gz VSMZQKUISDFMGC-GUBZILKMSA-N 1 0 247.291 -1.272 20 0 BAADRO CCOC(=O)C[C@@H](O)C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000599366787 349161080 /nfs/dbraw/zinc/16/10/80/349161080.db2.gz VSMZQKUISDFMGC-IVZWLZJFSA-N 1 0 247.291 -1.272 20 0 BAADRO CCOC(=O)C[C@@H](O)C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000599366788 349160901 /nfs/dbraw/zinc/16/09/01/349160901.db2.gz VSMZQKUISDFMGC-LPEHRKFASA-N 1 0 247.291 -1.272 20 0 BAADRO COC(=O)C1(C[NH+]2C[C@H](O)[C@@H](O)C2)CC1 ZINC000599531598 349210075 /nfs/dbraw/zinc/21/00/75/349210075.db2.gz FPXIRNZQDPCRCK-YUMQZZPRSA-N 1 0 215.249 -1.023 20 0 BAADRO CCOC(=O)[C@@](C)(O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000599531712 349210069 /nfs/dbraw/zinc/21/00/69/349210069.db2.gz LBIKEIHPMIRVIN-NRPADANISA-N 1 0 233.264 -1.662 20 0 BAADRO CSC[C@@H](O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000599531810 349210439 /nfs/dbraw/zinc/21/04/39/349210439.db2.gz QAOGZKXZAVNDEY-FXQIFTODSA-N 1 0 207.295 -1.252 20 0 BAADRO C[N@H+](CCC(=O)NC(N)=O)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599643700 349239301 /nfs/dbraw/zinc/23/93/01/349239301.db2.gz DWNMTSFRAAFZPG-KNVOCYPGSA-N 1 0 242.279 -1.233 20 0 BAADRO CNC(=O)NC(=O)C[N@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599644015 349239629 /nfs/dbraw/zinc/23/96/29/349239629.db2.gz FMFJGYPTXYISLN-KNVOCYPGSA-N 1 0 242.279 -1.362 20 0 BAADRO C[N@H+](CC(=O)NC(N)=O)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599645221 349239496 /nfs/dbraw/zinc/23/94/96/349239496.db2.gz REVANXFSRISXTA-OLQVQODUSA-N 1 0 228.252 -1.623 20 0 BAADRO COC(=O)CNC(=O)C[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599669384 349248592 /nfs/dbraw/zinc/24/85/92/349248592.db2.gz DDUQTPZCCLLPNK-DTORHVGOSA-N 1 0 244.291 -1.022 20 0 BAADRO COC[C@]1(C)CN(CC(=O)NC(N)=O)CCO1 ZINC000599694802 349247830 /nfs/dbraw/zinc/24/78/30/349247830.db2.gz VUVPNTAKVZSQIY-JTQLQIEISA-N 1 0 245.279 -1.081 20 0 BAADRO COC[C@@]1(C)CN(CC(=O)NC(N)=O)CCO1 ZINC000599694803 349247580 /nfs/dbraw/zinc/24/75/80/349247580.db2.gz VUVPNTAKVZSQIY-SNVBAGLBSA-N 1 0 245.279 -1.081 20 0 BAADRO COC(=O)[C@@H]1CN(C(=O)NCC[NH3+])C[C@@H](C)O1 ZINC000599925832 349271133 /nfs/dbraw/zinc/27/11/33/349271133.db2.gz NTWDJSKFBYZCAQ-SFYZADRCSA-N 1 0 245.279 -1.083 20 0 BAADRO COC(=O)COCCNC(=O)C[NH+](C)C ZINC000600403424 343936717 /nfs/dbraw/zinc/93/67/17/343936717.db2.gz VGGSTMBYPRXHAQ-UHFFFAOYSA-N 1 0 218.253 -1.146 20 0 BAADRO COC(=O)C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000600454158 344130413 /nfs/dbraw/zinc/13/04/13/344130413.db2.gz FZGWTLOXRBGQJY-BDAKNGLRSA-N 1 0 244.291 -1.022 20 0 BAADRO COC(=O)C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000600454160 344130372 /nfs/dbraw/zinc/13/03/72/344130372.db2.gz FZGWTLOXRBGQJY-DTWKUNHWSA-N 1 0 244.291 -1.022 20 0 BAADRO COC(=O)C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000600454162 344130119 /nfs/dbraw/zinc/13/01/19/344130119.db2.gz FZGWTLOXRBGQJY-IUCAKERBSA-N 1 0 244.291 -1.022 20 0 BAADRO COC(=O)C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000600454163 344130082 /nfs/dbraw/zinc/13/00/82/344130082.db2.gz FZGWTLOXRBGQJY-RKDXNWHRSA-N 1 0 244.291 -1.022 20 0 BAADRO COC(=O)C[C@@H](O)CNC(=O)C[NH+](C)C ZINC000600461045 344140148 /nfs/dbraw/zinc/14/01/48/344140148.db2.gz FGGDPXHZWMMZSL-SSDOTTSWSA-N 1 0 218.253 -1.412 20 0 BAADRO COC(=O)C[C@H](O)CNC(=O)C[NH+](C)C ZINC000600461046 344140173 /nfs/dbraw/zinc/14/01/73/344140173.db2.gz FGGDPXHZWMMZSL-ZETCQYMHSA-N 1 0 218.253 -1.412 20 0 BAADRO COC(=O)C[C@@H](O)CNC(=O)[C@H](C)[NH+](C)C ZINC000600465793 344142750 /nfs/dbraw/zinc/14/27/50/344142750.db2.gz HABQVPVNGZSHAX-JGVFFNPUSA-N 1 0 232.280 -1.023 20 0 BAADRO COC(=O)C[C@H](O)CNC(=O)[C@H](C)[NH+](C)C ZINC000600465795 344142878 /nfs/dbraw/zinc/14/28/78/344142878.db2.gz HABQVPVNGZSHAX-YUMQZZPRSA-N 1 0 232.280 -1.023 20 0 BAADRO CCN(CC[NH3+])CC(=O)NCCC(=O)OC ZINC000600720784 344363235 /nfs/dbraw/zinc/36/32/35/344363235.db2.gz QNLDJHCTNXDXEL-UHFFFAOYSA-N 1 0 231.296 -1.054 20 0 BAADRO C[NH2+]CCOCCN(C)CC(=O)NC(N)=O ZINC000600726610 344363739 /nfs/dbraw/zinc/36/37/39/344363739.db2.gz IFRZWURDLQBEHB-UHFFFAOYSA-N 1 0 232.284 -1.651 20 0 BAADRO CNC(=O)NC(=O)CN(C)CCOCC[NH2+]C ZINC000600732189 344364609 /nfs/dbraw/zinc/36/46/09/344364609.db2.gz YDSAMJMZKFZILG-UHFFFAOYSA-N 1 0 246.311 -1.390 20 0 BAADRO CNC(=O)NC(=O)CN(C)CCOCC[NH3+] ZINC000600732720 344364705 /nfs/dbraw/zinc/36/47/05/344364705.db2.gz DQDBHUZJKMNPDP-UHFFFAOYSA-N 1 0 232.284 -1.651 20 0 BAADRO CCNC(=O)NC(=O)CN(C)CCOCC[NH3+] ZINC000600733572 344364530 /nfs/dbraw/zinc/36/45/30/344364530.db2.gz KMWTWFMOTHPMBY-UHFFFAOYSA-N 1 0 246.311 -1.261 20 0 BAADRO CNC(=O)NC(=O)CC[N@H+](C)CCOCC[NH3+] ZINC000600735645 344365295 /nfs/dbraw/zinc/36/52/95/344365295.db2.gz MXKJNQAHNAPXSF-UHFFFAOYSA-N 1 0 246.311 -1.261 20 0 BAADRO COC(=O)[C@@H](CO)NC[C@@H](O)C[NH+]1CCCC1 ZINC000600738805 344366522 /nfs/dbraw/zinc/36/65/22/344366522.db2.gz NAIIQOQATRXBSQ-NXEZZACHSA-N 1 0 246.307 -1.433 20 0 BAADRO COC(=O)[C@H](CO)NC[C@H](O)C[NH+]1CCCC1 ZINC000600738808 344366502 /nfs/dbraw/zinc/36/65/02/344366502.db2.gz NAIIQOQATRXBSQ-UWVGGRQHSA-N 1 0 246.307 -1.433 20 0 BAADRO COC(=O)[C@@H](CO)NC[C@H](O)C[NH+]1CCCC1 ZINC000600738810 344366573 /nfs/dbraw/zinc/36/65/73/344366573.db2.gz NAIIQOQATRXBSQ-VHSXEESVSA-N 1 0 246.307 -1.433 20 0 BAADRO COC(=O)[C@H](CO)NC[C@@H](O)C[NH+]1CCCC1 ZINC000600738811 344366592 /nfs/dbraw/zinc/36/65/92/344366592.db2.gz NAIIQOQATRXBSQ-ZJUUUORDSA-N 1 0 246.307 -1.433 20 0 BAADRO COC(=O)[C@@H](O)CNC[C@H](O)C[NH+]1CCCC1 ZINC000600745485 344367865 /nfs/dbraw/zinc/36/78/65/344367865.db2.gz REHKRHGHMRINBF-UWVGGRQHSA-N 1 0 246.307 -1.433 20 0 BAADRO COC(=O)[C@@H](O)CNC[C@@H](O)C[NH+]1CCCC1 ZINC000600745487 344367849 /nfs/dbraw/zinc/36/78/49/344367849.db2.gz REHKRHGHMRINBF-ZJUUUORDSA-N 1 0 246.307 -1.433 20 0 BAADRO COC[C@H](O)C[NH2+]CCOCC(=O)OC ZINC000600754515 344368794 /nfs/dbraw/zinc/36/87/94/344368794.db2.gz AWHMIEBFFKESNX-MRVPVSSYSA-N 1 0 221.253 -1.227 20 0 BAADRO COC[C@@H](O)C[NH2+]CCOCC(=O)OC ZINC000600754529 344368831 /nfs/dbraw/zinc/36/88/31/344368831.db2.gz AWHMIEBFFKESNX-QMMMGPOBSA-N 1 0 221.253 -1.227 20 0 BAADRO CN1CCOC[C@H]1C[NH2+]CCC(=O)NC(N)=O ZINC000600755452 344369404 /nfs/dbraw/zinc/36/94/04/344369404.db2.gz KFVUHXFDQOUISX-MRVPVSSYSA-N 1 0 244.295 -1.508 20 0 BAADRO CN1CCOC[C@@H]1C[NH2+]CCC(=O)NC(N)=O ZINC000600755467 344369415 /nfs/dbraw/zinc/36/94/15/344369415.db2.gz KFVUHXFDQOUISX-QMMMGPOBSA-N 1 0 244.295 -1.508 20 0 BAADRO CNC(=O)NC(=O)CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601325251 347206390 /nfs/dbraw/zinc/20/63/90/347206390.db2.gz BDFYDSVRQJKBIP-HTQZYQBOSA-N 1 0 228.296 -1.031 20 0 BAADRO CCNC(=O)NC(=O)CN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601326727 347209243 /nfs/dbraw/zinc/20/92/43/347209243.db2.gz HCWASRUWJANZRC-YUMQZZPRSA-N 1 0 226.280 -1.122 20 0 BAADRO CNC(=O)NC(=O)CCN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601327245 347211734 /nfs/dbraw/zinc/21/17/34/347211734.db2.gz MTCYMHMZHZEIIP-YUMQZZPRSA-N 1 0 226.280 -1.122 20 0 BAADRO C[C@@H](C(=O)NC(N)=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601327287 347211378 /nfs/dbraw/zinc/21/13/78/347211378.db2.gz NXCAAQBOHXFUJA-ACZMJKKPSA-N 1 0 212.253 -1.384 20 0 BAADRO C[C@H](C(=O)NC(N)=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601327288 347211611 /nfs/dbraw/zinc/21/16/11/347211611.db2.gz NXCAAQBOHXFUJA-VQVTYTSYSA-N 1 0 212.253 -1.384 20 0 BAADRO CNC(=O)NC(=O)CN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601327452 347212445 /nfs/dbraw/zinc/21/24/45/347212445.db2.gz RAOZIMGWZUWGQD-BQBZGAKWSA-N 1 0 212.253 -1.512 20 0 BAADRO CNC(=O)NC(=O)[C@@H](C)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601327486 347212187 /nfs/dbraw/zinc/21/21/87/347212187.db2.gz SJSKXOMREAIGHF-CSMHCCOUSA-N 1 0 226.280 -1.123 20 0 BAADRO CNC(=O)NC(=O)[C@H](C)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601327487 347212683 /nfs/dbraw/zinc/21/26/83/347212683.db2.gz SJSKXOMREAIGHF-FXQIFTODSA-N 1 0 226.280 -1.123 20 0 BAADRO COC(=O)CCNC(=O)CN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601327707 347214470 /nfs/dbraw/zinc/21/44/70/347214470.db2.gz VYJCNHQYQBSOGU-IUCAKERBSA-N 1 0 241.291 -1.288 20 0 BAADRO NC(=O)NC(=O)CN[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601328307 347217137 /nfs/dbraw/zinc/21/71/37/347217137.db2.gz KSWWCPXKTHZLDN-XCBNKYQSSA-N 1 0 226.280 -1.087 20 0 BAADRO CNC(=O)NC(=O)CN1C[C@@H]([NH3+])C[C@@H]1C ZINC000601328855 347217977 /nfs/dbraw/zinc/21/79/77/347217977.db2.gz AXOFRLKQIQDTBK-BQBZGAKWSA-N 1 0 214.269 -1.137 20 0 BAADRO CNC(=O)NC(=O)CN1C[C@H]([NH3+])C[C@@H]1C ZINC000601328856 347217802 /nfs/dbraw/zinc/21/78/02/347217802.db2.gz AXOFRLKQIQDTBK-NKWVEPMBSA-N 1 0 214.269 -1.137 20 0 BAADRO CNC(=O)NC(=O)CN1C[C@H]([NH3+])C[C@H]1C ZINC000601328857 347217936 /nfs/dbraw/zinc/21/79/36/347217936.db2.gz AXOFRLKQIQDTBK-RNFRBKRXSA-N 1 0 214.269 -1.137 20 0 BAADRO CNC(=O)NC(=O)CN1C[C@@H]([NH3+])C[C@H]1C ZINC000601328858 347217750 /nfs/dbraw/zinc/21/77/50/347217750.db2.gz AXOFRLKQIQDTBK-RQJHMYQMSA-N 1 0 214.269 -1.137 20 0 BAADRO CNC(=O)NC(=O)CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601329492 347217505 /nfs/dbraw/zinc/21/75/05/347217505.db2.gz JSQDGZZZMPENNX-OCAPTIKFSA-N 1 0 226.280 -1.122 20 0 BAADRO NC(=O)NC(=O)CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601330568 347220934 /nfs/dbraw/zinc/22/09/34/347220934.db2.gz UXSNWMOJRGOITP-KNVOCYPGSA-N 1 0 212.253 -1.383 20 0 BAADRO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601973341 349409141 /nfs/dbraw/zinc/40/91/41/349409141.db2.gz KWDWLJFSSKNVJW-KNVOCYPGSA-N 1 0 213.237 -1.241 20 0 BAADRO COC(=O)CNC(=O)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601974883 349402398 /nfs/dbraw/zinc/40/23/98/349402398.db2.gz SEEFHIYWXBUHTA-DTORHVGOSA-N 1 0 242.275 -1.146 20 0 BAADRO COC(=O)C[C@H]([NH3+])C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000601975551 349412264 /nfs/dbraw/zinc/41/22/64/349412264.db2.gz QKACEXIQESOKIE-YIZRAAEISA-N 1 0 242.275 -1.018 20 0 BAADRO COC(=O)[C@@H](CO)NC(=O)C1(C[NH+](C)C)CC1 ZINC000602063521 349436865 /nfs/dbraw/zinc/43/68/65/349436865.db2.gz RQEFTYWLCPTMQS-MRVPVSSYSA-N 1 0 244.291 -1.022 20 0 BAADRO COC(=O)[C@H](CO)NC(=O)C1(C[NH+](C)C)CC1 ZINC000602063529 349436368 /nfs/dbraw/zinc/43/63/68/349436368.db2.gz RQEFTYWLCPTMQS-QMMMGPOBSA-N 1 0 244.291 -1.022 20 0 BAADRO CS[C@H]1CN(C(=O)C(N)=O)C[C@@H]1[NH+](C)C ZINC000602129868 349457326 /nfs/dbraw/zinc/45/73/26/349457326.db2.gz GRUWODPACUBZRD-BQBZGAKWSA-N 1 0 231.321 -1.024 20 0 BAADRO CS[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1[NH+](C)C ZINC000602129875 349457420 /nfs/dbraw/zinc/45/74/20/349457420.db2.gz GRUWODPACUBZRD-NKWVEPMBSA-N 1 0 231.321 -1.024 20 0 BAADRO CS[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH+](C)C ZINC000602129877 349457400 /nfs/dbraw/zinc/45/74/00/349457400.db2.gz GRUWODPACUBZRD-RNFRBKRXSA-N 1 0 231.321 -1.024 20 0 BAADRO CS[C@H]1CN(C(=O)C(N)=O)C[C@H]1[NH+](C)C ZINC000602129878 349457478 /nfs/dbraw/zinc/45/74/78/349457478.db2.gz GRUWODPACUBZRD-RQJHMYQMSA-N 1 0 231.321 -1.024 20 0 BAADRO CCOC(=O)[C@@H](CO)NC(=O)[C@@H](C)[NH+](C)C ZINC000602131330 349458044 /nfs/dbraw/zinc/45/80/44/349458044.db2.gz BDRSDBCRCXQJLD-HTQZYQBOSA-N 1 0 232.280 -1.023 20 0 BAADRO CCOC(=O)[C@H](CO)NC(=O)[C@@H](C)[NH+](C)C ZINC000602131338 349457731 /nfs/dbraw/zinc/45/77/31/349457731.db2.gz BDRSDBCRCXQJLD-SFYZADRCSA-N 1 0 232.280 -1.023 20 0 BAADRO COC(=O)[C@@H](O)CNC(=O)C1(C[NH+](C)C)CC1 ZINC000602131829 349459006 /nfs/dbraw/zinc/45/90/06/349459006.db2.gz CXSJINNFTOHQTM-QMMMGPOBSA-N 1 0 244.291 -1.022 20 0 BAADRO COC(=O)[C@@H](O)CNC(=O)[C@@H](C)[NH+](C)C ZINC000602131876 349458928 /nfs/dbraw/zinc/45/89/28/349458928.db2.gz FHDVUUUFIWMBKU-RQJHMYQMSA-N 1 0 218.253 -1.413 20 0 BAADRO COC(=O)[C@](C)(O)CNC(=O)[C@@H](C)[NH+](C)C ZINC000602136378 349449317 /nfs/dbraw/zinc/44/93/17/349449317.db2.gz PZAFTMQVYGESPD-GMSGAONNSA-N 1 0 232.280 -1.023 20 0 BAADRO COC(=O)[C@](C)(O)CNC(=O)[C@H](C)[NH+](C)C ZINC000602136379 349449364 /nfs/dbraw/zinc/44/93/64/349449364.db2.gz PZAFTMQVYGESPD-OIBJUYFYSA-N 1 0 232.280 -1.023 20 0 BAADRO COC(=O)[C@@](C)(O)CNC(=O)[C@@H](C)[NH+](C)C ZINC000602136380 349449381 /nfs/dbraw/zinc/44/93/81/349449381.db2.gz PZAFTMQVYGESPD-XCBNKYQSSA-N 1 0 232.280 -1.023 20 0 BAADRO COC(=O)[C@@](C)(O)CNC(=O)[C@H](C)[NH+](C)C ZINC000602136382 349449755 /nfs/dbraw/zinc/44/97/55/349449755.db2.gz PZAFTMQVYGESPD-XVKPBYJWSA-N 1 0 232.280 -1.023 20 0 BAADRO COC(=O)[C@@H]1CN(C)CCN(C(=O)C(N)=O)C1 ZINC000602160736 349466169 /nfs/dbraw/zinc/46/61/69/349466169.db2.gz CDAYMSPCAMTDSN-SSDOTTSWSA-N 1 0 243.263 -1.965 20 0 BAADRO COC(=O)[C@H]1CN(C)CCN(C(=O)C(N)=O)C1 ZINC000602160738 349466248 /nfs/dbraw/zinc/46/62/48/349466248.db2.gz CDAYMSPCAMTDSN-ZETCQYMHSA-N 1 0 243.263 -1.965 20 0 BAADRO COC(=O)C[C@@H](O)CNC(=O)[C@@H](C)[NH+](C)C ZINC000602188480 349469615 /nfs/dbraw/zinc/46/96/15/349469615.db2.gz HABQVPVNGZSHAX-HTQZYQBOSA-N 1 0 232.280 -1.023 20 0 BAADRO COC(=O)C[C@H](O)CNC(=O)[C@@H](C)[NH+](C)C ZINC000602188481 349469681 /nfs/dbraw/zinc/46/96/81/349469681.db2.gz HABQVPVNGZSHAX-SFYZADRCSA-N 1 0 232.280 -1.023 20 0 BAADRO COC(=O)c1cnn(CC(=O)NCC[NH3+])c1 ZINC000602422848 349530419 /nfs/dbraw/zinc/53/04/19/349530419.db2.gz UEJALJJKRHHPHC-UHFFFAOYSA-N 1 0 226.236 -1.255 20 0 BAADRO CCOC(=O)CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000602441198 349527312 /nfs/dbraw/zinc/52/73/12/349527312.db2.gz XWENMJMMUBYUSP-POYBYMJQSA-N 1 0 216.237 -1.218 20 0 BAADRO COC(=O)CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000602445077 349545071 /nfs/dbraw/zinc/54/50/71/349545071.db2.gz RWKVGWWETDZWKY-SECBINFHSA-N 1 0 216.237 -1.346 20 0 BAADRO COC(=O)CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000602445080 349545414 /nfs/dbraw/zinc/54/54/14/349545414.db2.gz RWKVGWWETDZWKY-VIFPVBQESA-N 1 0 216.237 -1.346 20 0 BAADRO COC(=O)CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000602445525 349545991 /nfs/dbraw/zinc/54/59/91/349545991.db2.gz WTIBDJRBTMHEMZ-POYBYMJQSA-N 1 0 216.237 -1.218 20 0 BAADRO COC(=O)[C@@H](C)NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000602445952 349545955 /nfs/dbraw/zinc/54/59/55/349545955.db2.gz YBLVVFRLNBMJMO-DSYKOEDSSA-N 1 0 216.237 -1.220 20 0 BAADRO COC(=O)[C@H](C)NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000602445962 349545971 /nfs/dbraw/zinc/54/59/71/349545971.db2.gz YBLVVFRLNBMJMO-LYFYHCNISA-N 1 0 216.237 -1.220 20 0 BAADRO COC(=O)[C@H](C)CNC(=O)CN1CC[NH2+]CC1 ZINC000602457127 349554454 /nfs/dbraw/zinc/55/44/54/349554454.db2.gz ZJVWRKPYMMLCAW-SECBINFHSA-N 1 0 243.307 -1.183 20 0 BAADRO COC(=O)[C@@H](C)CNC(=O)CN1CC[NH2+]CC1 ZINC000602457135 349554781 /nfs/dbraw/zinc/55/47/81/349554781.db2.gz ZJVWRKPYMMLCAW-VIFPVBQESA-N 1 0 243.307 -1.183 20 0 BAADRO COC(=O)[C@H](C)N(C)C(=O)CN1CC[NH2+]CC1 ZINC000602503607 349580945 /nfs/dbraw/zinc/58/09/45/349580945.db2.gz MUFSICJRXNQPRJ-VIFPVBQESA-N 1 0 243.307 -1.089 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)N(CC)CC[NH3+] ZINC000602536128 349603085 /nfs/dbraw/zinc/60/30/85/349603085.db2.gz YZTVMROKRGSGNJ-SSDOTTSWSA-N 1 0 217.269 -1.316 20 0 BAADRO CCOC(=O)[C@@H](N)C(=O)N(CC)CC[NH3+] ZINC000602536129 349602845 /nfs/dbraw/zinc/60/28/45/349602845.db2.gz YZTVMROKRGSGNJ-ZETCQYMHSA-N 1 0 217.269 -1.316 20 0 BAADRO COC(=O)[C@@H]1CN(C(=O)C[NH3+])C[C@@H](C)O1 ZINC000602547965 349591478 /nfs/dbraw/zinc/59/14/78/349591478.db2.gz KMRWDLNUZOCLJV-RQJHMYQMSA-N 1 0 216.237 -1.266 20 0 BAADRO COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000602553166 349594425 /nfs/dbraw/zinc/59/44/25/349594425.db2.gz VYFXXKFDXXBJKG-HRDYMLBCSA-N 1 0 242.275 -1.100 20 0 BAADRO COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000602553168 349594564 /nfs/dbraw/zinc/59/45/64/349594564.db2.gz VYFXXKFDXXBJKG-XHNCKOQMSA-N 1 0 242.275 -1.100 20 0 BAADRO CCOC(=O)[C@@H](N)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000602574471 349623824 /nfs/dbraw/zinc/62/38/24/349623824.db2.gz VTVVRWONTMFHHV-RNJXMRFFSA-N 1 0 229.280 -1.257 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000602574472 349623727 /nfs/dbraw/zinc/62/37/27/349623727.db2.gz VTVVRWONTMFHHV-XLPZGREQSA-N 1 0 229.280 -1.257 20 0 BAADRO NC(=O)CSCC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602587392 349612747 /nfs/dbraw/zinc/61/27/47/349612747.db2.gz GATLHQFGPDCSFE-BQBZGAKWSA-N 1 0 229.305 -1.222 20 0 BAADRO C[NH2+]CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC ZINC000602588160 349613452 /nfs/dbraw/zinc/61/34/52/349613452.db2.gz KYFJIXDOBDIEMN-BQBZGAKWSA-N 1 0 245.279 -1.612 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602589172 349613448 /nfs/dbraw/zinc/61/34/48/349613448.db2.gz DDHYFJZJWYKDQD-BIIVOSGPSA-N 1 0 227.264 -1.551 20 0 BAADRO CCOC(=O)[C@@H](N)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602589173 349613400 /nfs/dbraw/zinc/61/34/00/349613400.db2.gz DDHYFJZJWYKDQD-FXQIFTODSA-N 1 0 227.264 -1.551 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602591018 349615143 /nfs/dbraw/zinc/61/51/43/349615143.db2.gz JHBSBPWKEPILAF-HRDYMLBCSA-N 1 0 241.291 -1.160 20 0 BAADRO CCOC(=O)[C@@H](N)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602591019 349614905 /nfs/dbraw/zinc/61/49/05/349614905.db2.gz JHBSBPWKEPILAF-YIZRAAEISA-N 1 0 241.291 -1.160 20 0 BAADRO COC(=O)CNC(=O)C[NH2+][C@@H]1CCOC1 ZINC000602748255 349711842 /nfs/dbraw/zinc/71/18/42/349711842.db2.gz OZESEWMUXFDGEW-SSDOTTSWSA-N 1 0 216.237 -1.346 20 0 BAADRO COC(=O)CNC(=O)C[NH2+][C@H]1CCOC1 ZINC000602748256 349711514 /nfs/dbraw/zinc/71/15/14/349711514.db2.gz OZESEWMUXFDGEW-ZETCQYMHSA-N 1 0 216.237 -1.346 20 0 BAADRO COC(=O)CNC(=O)C[NH2+]Cc1cn[nH]c1 ZINC000602748471 349711675 /nfs/dbraw/zinc/71/16/75/349711675.db2.gz HVJVYSGGHXDZOP-UHFFFAOYSA-N 1 0 226.236 -1.212 20 0 BAADRO COC(=O)CNC(=O)C[NH2+]C1CSC1 ZINC000602751518 349730089 /nfs/dbraw/zinc/73/00/89/349730089.db2.gz VLFFAFZAXRURRM-UHFFFAOYSA-N 1 0 218.278 -1.019 20 0 BAADRO CCN(C#N)CC[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000602816518 349758714 /nfs/dbraw/zinc/75/87/14/349758714.db2.gz PMSDINIFANYZGH-JTQLQIEISA-N 1 0 226.280 -1.289 20 0 BAADRO CCN(C#N)CC[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000602816541 349758413 /nfs/dbraw/zinc/75/84/13/349758413.db2.gz PMSDINIFANYZGH-SNVBAGLBSA-N 1 0 226.280 -1.289 20 0 BAADRO CCN(C#N)CC[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000602839831 349778709 /nfs/dbraw/zinc/77/87/09/349778709.db2.gz MBGXQBNXEPDJBU-DTORHVGOSA-N 1 0 236.275 -1.006 20 0 BAADRO COC(=O)[C@](C)(O)C[N@@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000602896564 349813092 /nfs/dbraw/zinc/81/30/92/349813092.db2.gz FAMOXBBHNSKZAL-DVVUODLYSA-N 1 0 247.291 -1.272 20 0 BAADRO COC(=O)[C@](C)(O)C[N@@H+]1C[C@H](O)C[C@]1(C)CO ZINC000602896565 349813080 /nfs/dbraw/zinc/81/30/80/349813080.db2.gz FAMOXBBHNSKZAL-FBIMIBRVSA-N 1 0 247.291 -1.272 20 0 BAADRO COC(=O)[C@](C)(O)C[N@@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000602896567 349813144 /nfs/dbraw/zinc/81/31/44/349813144.db2.gz FAMOXBBHNSKZAL-INTQDDNPSA-N 1 0 247.291 -1.272 20 0 BAADRO COC(=O)[C@](C)(O)C[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000602896569 349812528 /nfs/dbraw/zinc/81/25/28/349812528.db2.gz FAMOXBBHNSKZAL-JMJZKYOTSA-N 1 0 247.291 -1.272 20 0 BAADRO CSCC[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC000602899006 349814955 /nfs/dbraw/zinc/81/49/55/349814955.db2.gz NASLTWQVMFNHOX-BQBZGAKWSA-N 1 0 231.321 -1.132 20 0 BAADRO CSCC[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000602899012 349814740 /nfs/dbraw/zinc/81/47/40/349814740.db2.gz NASLTWQVMFNHOX-KNVOCYPGSA-N 1 0 231.321 -1.132 20 0 BAADRO CSCC[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000602899013 349815007 /nfs/dbraw/zinc/81/50/07/349815007.db2.gz NASLTWQVMFNHOX-RNFRBKRXSA-N 1 0 231.321 -1.132 20 0 BAADRO CO[C@H]1CN(CCC(=O)NC(N)=O)CCO1 ZINC000602900035 349815777 /nfs/dbraw/zinc/81/57/77/349815777.db2.gz XJAUQXGXVLCESX-MRVPVSSYSA-N 1 0 231.252 -1.124 20 0 BAADRO CO[C@@H]1CN(CCC(=O)NC(N)=O)CCO1 ZINC000602900036 349815346 /nfs/dbraw/zinc/81/53/46/349815346.db2.gz XJAUQXGXVLCESX-QMMMGPOBSA-N 1 0 231.252 -1.124 20 0 BAADRO COC[C@@](C)(CO)[NH2+]C[C@@](C)(O)C(=O)OC ZINC000602932583 349823114 /nfs/dbraw/zinc/82/31/14/349823114.db2.gz QCTCRHVEXYDMDX-NXEZZACHSA-N 1 0 235.280 -1.103 20 0 BAADRO COC[C@](C)(CO)[NH2+]C[C@](C)(O)C(=O)OC ZINC000602932584 349823633 /nfs/dbraw/zinc/82/36/33/349823633.db2.gz QCTCRHVEXYDMDX-UWVGGRQHSA-N 1 0 235.280 -1.103 20 0 BAADRO COC[C@](C)(CO)[NH2+]C[C@@](C)(O)C(=O)OC ZINC000602932586 349823409 /nfs/dbraw/zinc/82/34/09/349823409.db2.gz QCTCRHVEXYDMDX-VHSXEESVSA-N 1 0 235.280 -1.103 20 0 BAADRO COC[C@@](C)(CO)[NH2+]C[C@](C)(O)C(=O)OC ZINC000602932587 349823183 /nfs/dbraw/zinc/82/31/83/349823183.db2.gz QCTCRHVEXYDMDX-ZJUUUORDSA-N 1 0 235.280 -1.103 20 0 BAADRO CNC(=O)NC(=O)CC[NH2+][C@@](C)(CO)COC ZINC000602933617 349823694 /nfs/dbraw/zinc/82/36/94/349823694.db2.gz VEPJCTYUFZLYFV-JTQLQIEISA-N 1 0 247.295 -1.181 20 0 BAADRO CNC(=O)NC(=O)CC[NH2+][C@](C)(CO)COC ZINC000602933622 349823293 /nfs/dbraw/zinc/82/32/93/349823293.db2.gz VEPJCTYUFZLYFV-SNVBAGLBSA-N 1 0 247.295 -1.181 20 0 BAADRO CNC(=O)NC(=O)C[NH2+][C@](C)(CO)COC ZINC000602933846 349823619 /nfs/dbraw/zinc/82/36/19/349823619.db2.gz YRJLELLJOKKHSL-SECBINFHSA-N 1 0 233.268 -1.571 20 0 BAADRO CNC(=O)NC(=O)C[NH2+][C@@](C)(CO)COC ZINC000602933847 349823267 /nfs/dbraw/zinc/82/32/67/349823267.db2.gz YRJLELLJOKKHSL-VIFPVBQESA-N 1 0 233.268 -1.571 20 0 BAADRO CCNC(=O)NC(=O)C[NH2+][C@@](C)(CO)COC ZINC000602937890 349824301 /nfs/dbraw/zinc/82/43/01/349824301.db2.gz VFSAHWPOEZBXGX-JTQLQIEISA-N 1 0 247.295 -1.181 20 0 BAADRO CCNC(=O)NC(=O)C[NH2+][C@](C)(CO)COC ZINC000602937891 349824433 /nfs/dbraw/zinc/82/44/33/349824433.db2.gz VFSAHWPOEZBXGX-SNVBAGLBSA-N 1 0 247.295 -1.181 20 0 BAADRO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603086723 349865315 /nfs/dbraw/zinc/86/53/15/349865315.db2.gz ILWNFCJPQHHGPB-BYULHYEWSA-N 1 0 227.264 -1.103 20 0 BAADRO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603086725 349865328 /nfs/dbraw/zinc/86/53/28/349865328.db2.gz ILWNFCJPQHHGPB-NYNCVSEMSA-N 1 0 227.264 -1.103 20 0 BAADRO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603086745 349865473 /nfs/dbraw/zinc/86/54/73/349865473.db2.gz IVFRHHVLGQRVOY-HCVRKRLWSA-N 1 0 213.237 -1.364 20 0 BAADRO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603086746 349865321 /nfs/dbraw/zinc/86/53/21/349865321.db2.gz IVFRHHVLGQRVOY-JHEQGTHGSA-N 1 0 213.237 -1.364 20 0 BAADRO COC(=O)[C@](C)(O)C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603089635 349866214 /nfs/dbraw/zinc/86/62/14/349866214.db2.gz RWGNOPLAAPMCSN-SFGNSQDASA-N 1 0 215.249 -1.023 20 0 BAADRO COC(=O)[C@](C)(O)C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603089637 349866221 /nfs/dbraw/zinc/86/62/21/349866221.db2.gz RWGNOPLAAPMCSN-SZEHBUNVSA-N 1 0 215.249 -1.023 20 0 BAADRO NC(=O)NC(=O)CC[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603093021 349867668 /nfs/dbraw/zinc/86/76/68/349867668.db2.gz UGCIHBBLHXAAFT-HZGVNTEJSA-N 1 0 213.237 -1.362 20 0 BAADRO NC(=O)NC(=O)CC[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603093043 349867513 /nfs/dbraw/zinc/86/75/13/349867513.db2.gz UGCIHBBLHXAAFT-RCOVLWMOSA-N 1 0 213.237 -1.362 20 0 BAADRO CNC(=O)NC(=O)CC[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603093256 349867431 /nfs/dbraw/zinc/86/74/31/349867431.db2.gz VHBQKTDEVZRMOC-GMSGAONNSA-N 1 0 227.264 -1.101 20 0 BAADRO CNC(=O)NC(=O)CC[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603093261 349867567 /nfs/dbraw/zinc/86/75/67/349867567.db2.gz VHBQKTDEVZRMOC-XVKPBYJWSA-N 1 0 227.264 -1.101 20 0 BAADRO COC(=O)CNC(=O)CC[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603093284 349867295 /nfs/dbraw/zinc/86/72/95/349867295.db2.gz VJXHBVUIPPENJR-KWQFWETISA-N 1 0 242.275 -1.268 20 0 BAADRO COC(=O)CNC(=O)CC[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603093286 349867729 /nfs/dbraw/zinc/86/77/29/349867729.db2.gz VJXHBVUIPPENJR-LDYMZIIASA-N 1 0 242.275 -1.268 20 0 BAADRO COC(=O)CNC(=O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603833283 350042151 /nfs/dbraw/zinc/04/21/51/350042151.db2.gz FEAPBWBLNCWNCQ-DTORHVGOSA-N 1 0 241.291 -1.573 20 0 BAADRO COC(=O)CNC(=O)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000603833289 350042327 /nfs/dbraw/zinc/04/23/27/350042327.db2.gz FEAPBWBLNCWNCQ-IUCAKERBSA-N 1 0 241.291 -1.573 20 0 BAADRO COC(=O)CNC(=O)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000603833291 350042439 /nfs/dbraw/zinc/04/24/39/350042439.db2.gz FEAPBWBLNCWNCQ-RKDXNWHRSA-N 1 0 241.291 -1.573 20 0 BAADRO CCNC(=O)CN(C)CC(=O)NCC(=O)OC ZINC000603857454 350046020 /nfs/dbraw/zinc/04/60/20/350046020.db2.gz GSFHLXBSGFJAOJ-UHFFFAOYSA-N 1 0 245.279 -1.657 20 0 BAADRO CCNC(=O)C[N@H+](C)CCC(=O)NC(N)=O ZINC000604485358 350138293 /nfs/dbraw/zinc/13/82/93/350138293.db2.gz NLTQIMDXHBKLHS-UHFFFAOYSA-N 1 0 230.268 -1.361 20 0 BAADRO C[N@H+](CC(=O)N1CCNC(=O)C1)C(C)(C)CO ZINC000605576184 346038575 /nfs/dbraw/zinc/03/85/75/346038575.db2.gz NFDBDQQZNUDRLV-UHFFFAOYSA-N 1 0 243.307 -1.353 20 0 BAADRO C[N@@H+]1CCC[C@@H](NC(=O)NC(CO)CO)C1 ZINC000608648095 355887660 /nfs/dbraw/zinc/88/76/60/355887660.db2.gz MVVHAETWJQHZPY-MRVPVSSYSA-N 1 0 231.296 -1.267 20 0 BAADRO C[N@@H+]1CCC[C@H](NC(=O)NC(CO)CO)C1 ZINC000608648098 355887898 /nfs/dbraw/zinc/88/78/98/355887898.db2.gz MVVHAETWJQHZPY-QMMMGPOBSA-N 1 0 231.296 -1.267 20 0 BAADRO CCOC(=O)CNC(=O)CN1CCN(C)CC1 ZINC000609547508 353456138 /nfs/dbraw/zinc/45/61/38/353456138.db2.gz IGTJWTGCZMYSCZ-UHFFFAOYSA-N 1 0 243.307 -1.087 20 0 BAADRO NC(=O)NC(=O)CCC[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604099 358015549 /nfs/dbraw/zinc/01/55/49/358015549.db2.gz ABEUBJIKQVZBBW-OCAPTIKFSA-N 1 0 245.279 -1.611 20 0 BAADRO COC(=O)CC[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604378 358015245 /nfs/dbraw/zinc/01/52/45/358015245.db2.gz PAKOHBUYYRLTPZ-OCAPTIKFSA-N 1 0 203.238 -1.023 20 0 BAADRO CNC(=O)NC(=O)CC[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604420 358015395 /nfs/dbraw/zinc/01/53/95/358015395.db2.gz RLBYFGLTCDGVOW-OCAPTIKFSA-N 1 0 245.279 -1.740 20 0 BAADRO C[C@@H](C(=O)NCCC(=O)NC(N)=O)[NH+](C)C ZINC000610718934 358103721 /nfs/dbraw/zinc/10/37/21/358103721.db2.gz QIOGBQODWCIHJA-LURJTMIESA-N 1 0 230.268 -1.362 20 0 BAADRO CCN(CC(=O)N(C)C)[C@H](C)C(=O)NC(N)=O ZINC000611204921 359112168 /nfs/dbraw/zinc/11/21/68/359112168.db2.gz JDEFBVKEZDAODA-SSDOTTSWSA-N 1 0 244.295 -1.020 20 0 BAADRO CCN(CC(=O)N(C)C)[C@@H](C)C(=O)NC(N)=O ZINC000611204933 359112242 /nfs/dbraw/zinc/11/22/42/359112242.db2.gz JDEFBVKEZDAODA-ZETCQYMHSA-N 1 0 244.295 -1.020 20 0 BAADRO COC(=O)[C@@H](O)CNC(=O)[C@H](C)[NH+](C)C ZINC000611516548 359386822 /nfs/dbraw/zinc/38/68/22/359386822.db2.gz FHDVUUUFIWMBKU-BQBZGAKWSA-N 1 0 218.253 -1.413 20 0 BAADRO CN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000611825954 359454801 /nfs/dbraw/zinc/45/48/01/359454801.db2.gz GLNRNVLIAXJJFB-ZETCQYMHSA-N 1 0 242.279 -1.396 20 0 BAADRO CCOC(=O)[C@@H](CO)NC(=O)[C@H](C)[NH+](C)C ZINC000611858885 359468897 /nfs/dbraw/zinc/46/88/97/359468897.db2.gz BDRSDBCRCXQJLD-JGVFFNPUSA-N 1 0 232.280 -1.023 20 0 BAADRO CCOC(=O)[C@H](CO)NC(=O)[C@H](C)[NH+](C)C ZINC000611858895 359468385 /nfs/dbraw/zinc/46/83/85/359468385.db2.gz BDRSDBCRCXQJLD-YUMQZZPRSA-N 1 0 232.280 -1.023 20 0 BAADRO CCOC(=O)[C@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000611859721 359469446 /nfs/dbraw/zinc/46/94/46/359469446.db2.gz LSXREFPGHYPTTD-BDAKNGLRSA-N 1 0 244.291 -1.022 20 0 BAADRO CCOC(=O)[C@@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000611859754 359469569 /nfs/dbraw/zinc/46/95/69/359469569.db2.gz LSXREFPGHYPTTD-DTWKUNHWSA-N 1 0 244.291 -1.022 20 0 BAADRO CCOC(=O)[C@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000611859756 359469408 /nfs/dbraw/zinc/46/94/08/359469408.db2.gz LSXREFPGHYPTTD-IUCAKERBSA-N 1 0 244.291 -1.022 20 0 BAADRO CCOC(=O)[C@@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000611859757 359469513 /nfs/dbraw/zinc/46/95/13/359469513.db2.gz LSXREFPGHYPTTD-RKDXNWHRSA-N 1 0 244.291 -1.022 20 0 BAADRO C[NH+](C)C1(C(=O)NCCn2ncnn2)CC1 ZINC000612385491 359819762 /nfs/dbraw/zinc/81/97/62/359819762.db2.gz OIWGVCGBZFPBEV-UHFFFAOYSA-N 1 0 224.268 -1.117 20 0 BAADRO CN1C[C@H](C(=O)NCC[NH+]2CCC2)NC1=O ZINC000612843671 360105178 /nfs/dbraw/zinc/10/51/78/360105178.db2.gz NAGVFQHNCYMGJM-MRVPVSSYSA-N 1 0 226.280 -1.168 20 0 BAADRO CN1C[C@@H](C(=O)NCC[NH+]2CCC2)NC1=O ZINC000612843917 360106103 /nfs/dbraw/zinc/10/61/03/360106103.db2.gz NAGVFQHNCYMGJM-QMMMGPOBSA-N 1 0 226.280 -1.168 20 0 BAADRO O=C(NCC[NH+]1CCC1)[C@@H]1CCNC1=O ZINC000612844123 360106063 /nfs/dbraw/zinc/10/60/63/360106063.db2.gz NVDFOUFKIHIMHW-MRVPVSSYSA-N 1 0 211.265 -1.056 20 0 BAADRO O=C(NCC[NH+]1CCC1)[C@H]1CCNC1=O ZINC000612844128 360106539 /nfs/dbraw/zinc/10/65/39/360106539.db2.gz NVDFOUFKIHIMHW-QMMMGPOBSA-N 1 0 211.265 -1.056 20 0 BAADRO Cn1nnc(CNC(=O)N[C@]2(C)CC[NH2+]C2)n1 ZINC000612902876 360175047 /nfs/dbraw/zinc/17/50/47/360175047.db2.gz DVZDLTNGMFHSQO-SECBINFHSA-N 1 0 239.283 -1.239 20 0 BAADRO Cn1nnc(CNC(=O)N[C@@]2(C)CC[NH2+]C2)n1 ZINC000612902877 360175049 /nfs/dbraw/zinc/17/50/49/360175049.db2.gz DVZDLTNGMFHSQO-VIFPVBQESA-N 1 0 239.283 -1.239 20 0 BAADRO O=C(NC[C@H]1CCC[NH2+]1)N[C@H]1CCNC1=O ZINC000612913310 360183261 /nfs/dbraw/zinc/18/32/61/360183261.db2.gz BEZBTLLQRWNAGM-SFYZADRCSA-N 1 0 226.280 -1.074 20 0 BAADRO O=C(NC[C@@H]1CCC[NH2+]1)N[C@H]1CCNC1=O ZINC000612913312 360183792 /nfs/dbraw/zinc/18/37/92/360183792.db2.gz BEZBTLLQRWNAGM-YUMQZZPRSA-N 1 0 226.280 -1.074 20 0 BAADRO O=C(N[C@H]1CCNC1=O)N[C@H]1CCC[NH2+]C1 ZINC000612914225 360187579 /nfs/dbraw/zinc/18/75/79/360187579.db2.gz BWTCBGLJJZOZHV-YUMQZZPRSA-N 1 0 226.280 -1.074 20 0 BAADRO CC[NH2+]CCNC(=O)N[C@H]1CCNC1=O ZINC000612915179 360189449 /nfs/dbraw/zinc/18/94/49/360189449.db2.gz QBEJFYKLFPINQN-ZETCQYMHSA-N 1 0 214.269 -1.216 20 0 BAADRO [NH3+][C@H](CNC(=O)N[C@H]1CCNC1=O)C1CC1 ZINC000612915479 360189350 /nfs/dbraw/zinc/18/93/50/360189350.db2.gz QVVSYENLJLNVEX-SFYZADRCSA-N 1 0 226.280 -1.089 20 0 BAADRO [NH3+][C@@H](CNC(=O)N[C@H]1CCNC1=O)C1CC1 ZINC000612915480 360189497 /nfs/dbraw/zinc/18/94/97/360189497.db2.gz QVVSYENLJLNVEX-YUMQZZPRSA-N 1 0 226.280 -1.089 20 0 BAADRO O=C(NCC[NH2+]C1CC1)N[C@H]1CCNC1=O ZINC000612916205 360175780 /nfs/dbraw/zinc/17/57/80/360175780.db2.gz XCKWRDJZPWLNQW-QMMMGPOBSA-N 1 0 226.280 -1.074 20 0 BAADRO O=C(N[C@H]1CCNC1=O)N[C@@H]1CCC[NH2+]C1 ZINC000612916846 360176402 /nfs/dbraw/zinc/17/64/02/360176402.db2.gz BWTCBGLJJZOZHV-SFYZADRCSA-N 1 0 226.280 -1.074 20 0 BAADRO [NH3+]C[C@@H](NC(=O)N[C@H]1CCNC1=O)C1CC1 ZINC000612919547 360180017 /nfs/dbraw/zinc/18/00/17/360180017.db2.gz WQVRWUVTKIBBFE-JGVFFNPUSA-N 1 0 226.280 -1.089 20 0 BAADRO [NH3+]C[C@H](NC(=O)N[C@H]1CCNC1=O)C1CC1 ZINC000612919548 360179802 /nfs/dbraw/zinc/17/98/02/360179802.db2.gz WQVRWUVTKIBBFE-YUMQZZPRSA-N 1 0 226.280 -1.089 20 0 BAADRO CC[C@H]([NH3+])CNC(=O)N[C@H]1CCNC1=O ZINC000612925329 360194727 /nfs/dbraw/zinc/19/47/27/360194727.db2.gz UEVRTVJKJUJVER-BQBZGAKWSA-N 1 0 214.269 -1.089 20 0 BAADRO CC[C@@H]([NH3+])CNC(=O)N[C@H]1CCNC1=O ZINC000612925330 360195666 /nfs/dbraw/zinc/19/56/66/360195666.db2.gz UEVRTVJKJUJVER-RQJHMYQMSA-N 1 0 214.269 -1.089 20 0 BAADRO O=C(NCC12CC(C1)C[NH2+]2)N[C@H]1CCNC1=O ZINC000612930132 360201121 /nfs/dbraw/zinc/20/11/21/360201121.db2.gz LUJXDZIBGDKYNJ-KAIZJQOQSA-N 1 0 238.291 -1.074 20 0 BAADRO O=C(NC(CO)CO)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612974418 360238295 /nfs/dbraw/zinc/23/82/95/360238295.db2.gz AYLYPTIFJQDTLX-SECBINFHSA-N 1 0 243.307 -1.219 20 0 BAADRO O=C(NC(CO)CO)N[C@H]1CC12CC[NH2+]CC2 ZINC000612974419 360237997 /nfs/dbraw/zinc/23/79/97/360237997.db2.gz AYLYPTIFJQDTLX-VIFPVBQESA-N 1 0 243.307 -1.219 20 0 BAADRO C[NH+](C)C1CN(C(=O)C2(n3cnnn3)CC2)C1 ZINC000613118041 360374874 /nfs/dbraw/zinc/37/48/74/360374874.db2.gz OOPDQDCITGPGCR-UHFFFAOYSA-N 1 0 236.279 -1.065 20 0 BAADRO CN1C[C@H](C(=O)N2CC([NH+](C)C)C2)NC1=O ZINC000613123123 360388363 /nfs/dbraw/zinc/38/83/63/360388363.db2.gz QDDYREQAQASRTM-MRVPVSSYSA-N 1 0 226.280 -1.218 20 0 BAADRO CN1C[C@@H](C(=O)N2CC([NH+](C)C)C2)NC1=O ZINC000613123124 360385052 /nfs/dbraw/zinc/38/50/52/360385052.db2.gz QDDYREQAQASRTM-QMMMGPOBSA-N 1 0 226.280 -1.218 20 0 BAADRO C[NH+](C)C1(C(=O)NC(CO)CO)CC1 ZINC000613172882 360475679 /nfs/dbraw/zinc/47/56/79/360475679.db2.gz RPVYCPCSSUKUBP-UHFFFAOYSA-N 1 0 202.254 -1.450 20 0 BAADRO CN(C[C@H](O)CO)C(=O)C1([NH+](C)C)CC1 ZINC000613195757 360704757 /nfs/dbraw/zinc/70/47/57/360704757.db2.gz OORDTGAEBHJRNG-QMMMGPOBSA-N 1 0 216.281 -1.108 20 0 BAADRO C[NH+](C)CCOCCNC(=O)[C@@H]1CCNC1=O ZINC000613285024 363054035 /nfs/dbraw/zinc/05/40/35/363054035.db2.gz LGKFZPBPYZGCNX-SECBINFHSA-N 1 0 243.307 -1.183 20 0 BAADRO C[NH+](C)CCOCCNC(=O)[C@H]1CCNC1=O ZINC000613285031 363053864 /nfs/dbraw/zinc/05/38/64/363053864.db2.gz LGKFZPBPYZGCNX-VIFPVBQESA-N 1 0 243.307 -1.183 20 0 BAADRO C[NH+](C)CCOCCNC(=O)[C@H]1CC(=O)N1 ZINC000613285537 363055330 /nfs/dbraw/zinc/05/53/30/363055330.db2.gz OKAAIPQSPFHROW-MRVPVSSYSA-N 1 0 229.280 -1.431 20 0 BAADRO C[NH+](C)CCOCCNC(=O)[C@@H]1CC(=O)N1 ZINC000613285541 363055307 /nfs/dbraw/zinc/05/53/07/363055307.db2.gz OKAAIPQSPFHROW-QMMMGPOBSA-N 1 0 229.280 -1.431 20 0 BAADRO O=C(NCC[N@@H+]1CCCOCC1)[C@H]1CC(=O)N1 ZINC000613797124 363641840 /nfs/dbraw/zinc/64/18/40/363641840.db2.gz HEBMGMIGMPCNJH-SECBINFHSA-N 1 0 241.291 -1.287 20 0 BAADRO O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1CC(=O)N1 ZINC000613797125 363641415 /nfs/dbraw/zinc/64/14/15/363641415.db2.gz HEBMGMIGMPCNJH-VIFPVBQESA-N 1 0 241.291 -1.287 20 0 BAADRO CNS(=O)(=O)CCNC(=O)C1([NH+](C)C)CC1 ZINC000613825787 363655201 /nfs/dbraw/zinc/65/52/01/363655201.db2.gz BHHNQEIWDXPXSG-UHFFFAOYSA-N 1 0 249.336 -1.254 20 0 BAADRO CCOC(=O)[C@@](C)(O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000613855955 363651459 /nfs/dbraw/zinc/65/14/59/363651459.db2.gz DBVAACHBWKKNFK-NGZCFLSTSA-N 1 0 247.291 -1.272 20 0 BAADRO CCOC(=O)[C@](C)(O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000613855962 363651420 /nfs/dbraw/zinc/65/14/20/363651420.db2.gz DBVAACHBWKKNFK-WCABBAIRSA-N 1 0 247.291 -1.272 20 0 BAADRO CCOC(=O)[C@@](C)(O)C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000613865156 363672037 /nfs/dbraw/zinc/67/20/37/363672037.db2.gz IOVXLCRFAWAOEE-NGZCFLSTSA-N 1 0 247.291 -1.272 20 0 BAADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CO)C1 ZINC000614067869 363721981 /nfs/dbraw/zinc/72/19/81/363721981.db2.gz VOQBGXJWESAZIJ-JTQLQIEISA-N 1 0 216.281 -1.106 20 0 BAADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CO)C1 ZINC000614067871 363722260 /nfs/dbraw/zinc/72/22/60/363722260.db2.gz VOQBGXJWESAZIJ-SNVBAGLBSA-N 1 0 216.281 -1.106 20 0 BAADRO CC(C)[C@H](C(=O)NC[C@@H](O)C(N)=O)[NH+](C)C ZINC000614073152 363714782 /nfs/dbraw/zinc/71/47/82/363714782.db2.gz FVBQWMWSAGGGBP-HTQZYQBOSA-N 1 0 231.296 -1.465 20 0 BAADRO CC(C)[C@H](C(=O)NC[C@H](O)C(N)=O)[NH+](C)C ZINC000614073155 363714796 /nfs/dbraw/zinc/71/47/96/363714796.db2.gz FVBQWMWSAGGGBP-JGVFFNPUSA-N 1 0 231.296 -1.465 20 0 BAADRO CC(C)[C@@H](C(=O)NC[C@@H](O)C(N)=O)[NH+](C)C ZINC000614073156 363715278 /nfs/dbraw/zinc/71/52/78/363715278.db2.gz FVBQWMWSAGGGBP-SFYZADRCSA-N 1 0 231.296 -1.465 20 0 BAADRO CC(C)[C@@H](C(=O)NC[C@H](O)C(N)=O)[NH+](C)C ZINC000614073157 363714891 /nfs/dbraw/zinc/71/48/91/363714891.db2.gz FVBQWMWSAGGGBP-YUMQZZPRSA-N 1 0 231.296 -1.465 20 0 BAADRO CCC[N@H+](C)CC(=O)NC[C@@H](O)C(N)=O ZINC000614073613 363714808 /nfs/dbraw/zinc/71/48/08/363714808.db2.gz LDFBNVLZQSUAQW-SSDOTTSWSA-N 1 0 217.269 -1.709 20 0 BAADRO CCC[N@H+](C)CC(=O)NC[C@H](O)C(N)=O ZINC000614073628 363715047 /nfs/dbraw/zinc/71/50/47/363715047.db2.gz LDFBNVLZQSUAQW-ZETCQYMHSA-N 1 0 217.269 -1.709 20 0 BAADRO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C(N)=O ZINC000614073774 363715375 /nfs/dbraw/zinc/71/53/75/363715375.db2.gz LSNYJKNUJYZFMH-BDAKNGLRSA-N 1 0 243.307 -1.177 20 0 BAADRO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C(N)=O ZINC000614073775 363715134 /nfs/dbraw/zinc/71/51/34/363715134.db2.gz LSNYJKNUJYZFMH-DTWKUNHWSA-N 1 0 243.307 -1.177 20 0 BAADRO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C(N)=O ZINC000614073776 363715308 /nfs/dbraw/zinc/71/53/08/363715308.db2.gz LSNYJKNUJYZFMH-IUCAKERBSA-N 1 0 243.307 -1.177 20 0 BAADRO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C(N)=O ZINC000614073777 363714848 /nfs/dbraw/zinc/71/48/48/363714848.db2.gz LSNYJKNUJYZFMH-RKDXNWHRSA-N 1 0 243.307 -1.177 20 0 BAADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H](O)C(N)=O ZINC000614074825 363715737 /nfs/dbraw/zinc/71/57/37/363715737.db2.gz WULKVJOZUZTHFT-HLTSFMKQSA-N 1 0 243.307 -1.178 20 0 BAADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H](O)C(N)=O ZINC000614074827 363715825 /nfs/dbraw/zinc/71/58/25/363715825.db2.gz WULKVJOZUZTHFT-HRDYMLBCSA-N 1 0 243.307 -1.178 20 0 BAADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H](O)C(N)=O ZINC000614074828 363716052 /nfs/dbraw/zinc/71/60/52/363716052.db2.gz WULKVJOZUZTHFT-IWSPIJDZSA-N 1 0 243.307 -1.178 20 0 BAADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H](O)C(N)=O ZINC000614074829 363715810 /nfs/dbraw/zinc/71/58/10/363715810.db2.gz WULKVJOZUZTHFT-YIZRAAEISA-N 1 0 243.307 -1.178 20 0 BAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C(N)=O ZINC000614075073 363715867 /nfs/dbraw/zinc/71/58/67/363715867.db2.gz ZTWZBHWLYQWWQC-HTQZYQBOSA-N 1 0 229.280 -1.567 20 0 BAADRO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C(N)=O ZINC000614075074 363715740 /nfs/dbraw/zinc/71/57/40/363715740.db2.gz ZTWZBHWLYQWWQC-JGVFFNPUSA-N 1 0 229.280 -1.567 20 0 BAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C(N)=O ZINC000614075075 363715821 /nfs/dbraw/zinc/71/58/21/363715821.db2.gz ZTWZBHWLYQWWQC-SFYZADRCSA-N 1 0 229.280 -1.567 20 0 BAADRO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C(N)=O ZINC000614075076 363716007 /nfs/dbraw/zinc/71/60/07/363716007.db2.gz ZTWZBHWLYQWWQC-YUMQZZPRSA-N 1 0 229.280 -1.567 20 0 BAADRO C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC(=O)N3)C[C@H]2C1 ZINC000614124568 363724175 /nfs/dbraw/zinc/72/41/75/363724175.db2.gz OXGWUDRCQWBDIM-HRDYMLBCSA-N 1 0 223.276 -1.105 20 0 BAADRO C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)N3)C[C@H]2C1 ZINC000614124579 363724092 /nfs/dbraw/zinc/72/40/92/363724092.db2.gz OXGWUDRCQWBDIM-YIZRAAEISA-N 1 0 223.276 -1.105 20 0 BAADRO C[NH+](C)C1(C(=O)NC[C@@](C)(O)CO)CC1 ZINC000614303549 363776993 /nfs/dbraw/zinc/77/69/93/363776993.db2.gz RWYMHUMYXFXJFU-SECBINFHSA-N 1 0 216.281 -1.060 20 0 BAADRO C[NH+](C)C1(C(=O)NC[C@](C)(O)CO)CC1 ZINC000614303551 363777059 /nfs/dbraw/zinc/77/70/59/363777059.db2.gz RWYMHUMYXFXJFU-VIFPVBQESA-N 1 0 216.281 -1.060 20 0 BAADRO CCNC(=O)CN(C)CC(=O)N1CCNC1=O ZINC000614344160 363789567 /nfs/dbraw/zinc/78/95/67/363789567.db2.gz ZQDHCZYSYBAHNK-UHFFFAOYSA-N 1 0 242.279 -1.394 20 0 BAADRO C[C@@H](O)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614503039 363831697 /nfs/dbraw/zinc/83/16/97/363831697.db2.gz NDTDGHVRPGDWLO-NXEZZACHSA-N 1 0 227.308 -1.127 20 0 BAADRO C[C@H](O)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614503044 363832073 /nfs/dbraw/zinc/83/20/73/363832073.db2.gz NDTDGHVRPGDWLO-UWVGGRQHSA-N 1 0 227.308 -1.127 20 0 BAADRO C[C@H](O)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614503045 363831829 /nfs/dbraw/zinc/83/18/29/363831829.db2.gz NDTDGHVRPGDWLO-VHSXEESVSA-N 1 0 227.308 -1.127 20 0 BAADRO C[C@@H](O)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614503046 363831981 /nfs/dbraw/zinc/83/19/81/363831981.db2.gz NDTDGHVRPGDWLO-ZJUUUORDSA-N 1 0 227.308 -1.127 20 0 BAADRO O=C(CO)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614504485 363831682 /nfs/dbraw/zinc/83/16/82/363831682.db2.gz WXXABGCGBJROKY-SECBINFHSA-N 1 0 213.281 -1.515 20 0 BAADRO O=C(CO)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614504486 363831593 /nfs/dbraw/zinc/83/15/93/363831593.db2.gz WXXABGCGBJROKY-VIFPVBQESA-N 1 0 213.281 -1.515 20 0 BAADRO C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000614838658 363990561 /nfs/dbraw/zinc/99/05/61/363990561.db2.gz LHSFTONCPAUHIO-BQBZGAKWSA-N 1 0 242.279 -1.349 20 0 BAADRO CCn1nncc1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614841618 363991094 /nfs/dbraw/zinc/99/10/94/363991094.db2.gz FWBICZLTTSVPHV-MRVPVSSYSA-N 1 0 241.295 -1.050 20 0 BAADRO CCn1nncc1C(=O)N[C@H](CO)C[NH+](C)C ZINC000614841629 363991336 /nfs/dbraw/zinc/99/13/36/363991336.db2.gz FWBICZLTTSVPHV-QMMMGPOBSA-N 1 0 241.295 -1.050 20 0 BAADRO Cn1cnc(C(=O)N[C@@H](CO)C[NH+](C)C)n1 ZINC000614845183 363992585 /nfs/dbraw/zinc/99/25/85/363992585.db2.gz ACCSHIDBNLWSJI-SSDOTTSWSA-N 1 0 227.268 -1.533 20 0 BAADRO Cn1cnc(C(=O)N[C@H](CO)C[NH+](C)C)n1 ZINC000614845184 363992479 /nfs/dbraw/zinc/99/24/79/363992479.db2.gz ACCSHIDBNLWSJI-ZETCQYMHSA-N 1 0 227.268 -1.533 20 0 BAADRO Cn1cc(C(=O)N[C@@H](CO)C[NH+](C)C)nn1 ZINC000614845626 363993525 /nfs/dbraw/zinc/99/35/25/363993525.db2.gz CYYMHBVINNHSFF-SSDOTTSWSA-N 1 0 227.268 -1.533 20 0 BAADRO Cn1cc(C(=O)N[C@H](CO)C[NH+](C)C)nn1 ZINC000614845627 363993677 /nfs/dbraw/zinc/99/36/77/363993677.db2.gz CYYMHBVINNHSFF-ZETCQYMHSA-N 1 0 227.268 -1.533 20 0 BAADRO Cc1c(C(=O)N[C@@H](CO)C[NH+](C)C)nnn1C ZINC000614845822 363994573 /nfs/dbraw/zinc/99/45/73/363994573.db2.gz FCXPKCISWPRIRI-MRVPVSSYSA-N 1 0 241.295 -1.224 20 0 BAADRO Cc1c(C(=O)N[C@H](CO)C[NH+](C)C)nnn1C ZINC000614845825 363994706 /nfs/dbraw/zinc/99/47/06/363994706.db2.gz FCXPKCISWPRIRI-QMMMGPOBSA-N 1 0 241.295 -1.224 20 0 BAADRO CN1CCOC[C@@H]1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614846818 363994891 /nfs/dbraw/zinc/99/48/91/363994891.db2.gz ITAWOEOUECBPQC-NXEZZACHSA-N 1 0 245.323 -1.644 20 0 BAADRO CN1CCOC[C@H]1C(=O)N[C@H](CO)C[NH+](C)C ZINC000614846832 363994555 /nfs/dbraw/zinc/99/45/55/363994555.db2.gz ITAWOEOUECBPQC-UWVGGRQHSA-N 1 0 245.323 -1.644 20 0 BAADRO CN1CCOC[C@@H]1C(=O)N[C@H](CO)C[NH+](C)C ZINC000614846833 363995001 /nfs/dbraw/zinc/99/50/01/363995001.db2.gz ITAWOEOUECBPQC-VHSXEESVSA-N 1 0 245.323 -1.644 20 0 BAADRO CN1CCOC[C@H]1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614846835 363994722 /nfs/dbraw/zinc/99/47/22/363994722.db2.gz ITAWOEOUECBPQC-ZJUUUORDSA-N 1 0 245.323 -1.644 20 0 BAADRO CNC(=O)NCCC(=O)N[C@@H](CO)C[NH+](C)C ZINC000614847094 363994736 /nfs/dbraw/zinc/99/47/36/363994736.db2.gz JTPZBKNPSNPUTM-MRVPVSSYSA-N 1 0 246.311 -1.656 20 0 BAADRO CNC(=O)NCCC(=O)N[C@H](CO)C[NH+](C)C ZINC000614847102 363994770 /nfs/dbraw/zinc/99/47/70/363994770.db2.gz JTPZBKNPSNPUTM-QMMMGPOBSA-N 1 0 246.311 -1.656 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@H]1CC[C@H]1C(N)=O ZINC000614849668 363999014 /nfs/dbraw/zinc/99/90/14/363999014.db2.gz YYIZIYVYAZMERL-HLTSFMKQSA-N 1 0 243.307 -1.463 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC000614849669 363999156 /nfs/dbraw/zinc/99/91/56/363999156.db2.gz YYIZIYVYAZMERL-HRDYMLBCSA-N 1 0 243.307 -1.463 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC000614849670 363999746 /nfs/dbraw/zinc/99/97/46/363999746.db2.gz YYIZIYVYAZMERL-IWSPIJDZSA-N 1 0 243.307 -1.463 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC000614849671 363999196 /nfs/dbraw/zinc/99/91/96/363999196.db2.gz YYIZIYVYAZMERL-VGMNWLOBSA-N 1 0 243.307 -1.463 20 0 BAADRO C[C@H](CC(N)=O)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614849726 363999335 /nfs/dbraw/zinc/99/93/35/363999335.db2.gz ZTEKZGCNGCEUGC-HTQZYQBOSA-N 1 0 231.296 -1.463 20 0 BAADRO C[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614849728 363999119 /nfs/dbraw/zinc/99/91/19/363999119.db2.gz ZTEKZGCNGCEUGC-JGVFFNPUSA-N 1 0 231.296 -1.463 20 0 BAADRO C[C@H](CC(N)=O)C(=O)N[C@H](CO)C[NH+](C)C ZINC000614849729 363999684 /nfs/dbraw/zinc/99/96/84/363999684.db2.gz ZTEKZGCNGCEUGC-SFYZADRCSA-N 1 0 231.296 -1.463 20 0 BAADRO C[C@@H](CC(N)=O)C(=O)N[C@H](CO)C[NH+](C)C ZINC000614849730 363999433 /nfs/dbraw/zinc/99/94/33/363999433.db2.gz ZTEKZGCNGCEUGC-YUMQZZPRSA-N 1 0 231.296 -1.463 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CCCC(=O)N1 ZINC000614849763 363999039 /nfs/dbraw/zinc/99/90/39/363999039.db2.gz NUHYXNYLPDSTBG-BDAKNGLRSA-N 1 0 243.307 -1.306 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1CCCC(=O)N1 ZINC000614849764 363999029 /nfs/dbraw/zinc/99/90/29/363999029.db2.gz NUHYXNYLPDSTBG-IUCAKERBSA-N 1 0 243.307 -1.306 20 0 BAADRO COC[C@@](C)(O)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614850181 364000852 /nfs/dbraw/zinc/00/08/52/364000852.db2.gz URKDLINWSCUMEF-PSASIEDQSA-N 1 0 234.296 -1.578 20 0 BAADRO COC[C@](C)(O)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614850182 364000901 /nfs/dbraw/zinc/00/09/01/364000901.db2.gz URKDLINWSCUMEF-SCZZXKLOSA-N 1 0 234.296 -1.578 20 0 BAADRO COC[C@@](C)(O)C(=O)N[C@H](CO)C[NH+](C)C ZINC000614850183 364000638 /nfs/dbraw/zinc/00/06/38/364000638.db2.gz URKDLINWSCUMEF-WCBMZHEXSA-N 1 0 234.296 -1.578 20 0 BAADRO COC[C@](C)(O)C(=O)N[C@H](CO)C[NH+](C)C ZINC000614850184 364000655 /nfs/dbraw/zinc/00/06/55/364000655.db2.gz URKDLINWSCUMEF-WPRPVWTQSA-N 1 0 234.296 -1.578 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@@]1(O)CCSC1 ZINC000614850426 364001713 /nfs/dbraw/zinc/00/17/13/364001713.db2.gz XZKGZWQVOCOQJP-PSASIEDQSA-N 1 0 248.348 -1.107 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@]1(O)CCSC1 ZINC000614850427 364002242 /nfs/dbraw/zinc/00/22/42/364002242.db2.gz XZKGZWQVOCOQJP-SCZZXKLOSA-N 1 0 248.348 -1.107 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@@]1(O)CCSC1 ZINC000614850428 364002005 /nfs/dbraw/zinc/00/20/05/364002005.db2.gz XZKGZWQVOCOQJP-WCBMZHEXSA-N 1 0 248.348 -1.107 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@]1(O)CCSC1 ZINC000614850429 364001846 /nfs/dbraw/zinc/00/18/46/364001846.db2.gz XZKGZWQVOCOQJP-WPRPVWTQSA-N 1 0 248.348 -1.107 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)C1(O)CCC1 ZINC000614851073 364004104 /nfs/dbraw/zinc/00/41/04/364004104.db2.gz FUCUSKWOMXQLMQ-MRVPVSSYSA-N 1 0 216.281 -1.060 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)C1(O)CCC1 ZINC000614851074 364004342 /nfs/dbraw/zinc/00/43/42/364004342.db2.gz FUCUSKWOMXQLMQ-QMMMGPOBSA-N 1 0 216.281 -1.060 20 0 BAADRO CCNC(=O)CC(=O)N[C@@H](CO)C[NH+](C)C ZINC000614851304 364003269 /nfs/dbraw/zinc/00/32/69/364003269.db2.gz HGKOPTAFUCVBCO-MRVPVSSYSA-N 1 0 231.296 -1.449 20 0 BAADRO CCNC(=O)CC(=O)N[C@H](CO)C[NH+](C)C ZINC000614851305 364003405 /nfs/dbraw/zinc/00/34/05/364003405.db2.gz HGKOPTAFUCVBCO-QMMMGPOBSA-N 1 0 231.296 -1.449 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)C(C)(C)O ZINC000614851337 364002795 /nfs/dbraw/zinc/00/27/95/364002795.db2.gz HWMVZVWXIKLEFQ-SSDOTTSWSA-N 1 0 204.270 -1.204 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)C(C)(C)O ZINC000614851338 364003221 /nfs/dbraw/zinc/00/32/21/364003221.db2.gz HWMVZVWXIKLEFQ-ZETCQYMHSA-N 1 0 204.270 -1.204 20 0 BAADRO CN1CC[C@@H](C(=O)N[C@@H](CO)C[NH+](C)C)C1=O ZINC000614851397 364003204 /nfs/dbraw/zinc/00/32/04/364003204.db2.gz ILRAIVXHJJTHNF-BDAKNGLRSA-N 1 0 243.307 -1.497 20 0 BAADRO CN1CC[C@H](C(=O)N[C@H](CO)C[NH+](C)C)C1=O ZINC000614851399 364002844 /nfs/dbraw/zinc/00/28/44/364002844.db2.gz ILRAIVXHJJTHNF-DTWKUNHWSA-N 1 0 243.307 -1.497 20 0 BAADRO CN1CC[C@@H](C(=O)N[C@H](CO)C[NH+](C)C)C1=O ZINC000614851401 364003014 /nfs/dbraw/zinc/00/30/14/364003014.db2.gz ILRAIVXHJJTHNF-IUCAKERBSA-N 1 0 243.307 -1.497 20 0 BAADRO CN1CC[C@H](C(=O)N[C@@H](CO)C[NH+](C)C)C1=O ZINC000614851402 364003232 /nfs/dbraw/zinc/00/32/32/364003232.db2.gz ILRAIVXHJJTHNF-RKDXNWHRSA-N 1 0 243.307 -1.497 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)C1(C(N)=O)CCC1 ZINC000614851419 364003057 /nfs/dbraw/zinc/00/30/57/364003057.db2.gz ACPLOZDLJQHVDL-MRVPVSSYSA-N 1 0 243.307 -1.319 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)C1(C(N)=O)CCC1 ZINC000614851420 364002972 /nfs/dbraw/zinc/00/29/72/364002972.db2.gz ACPLOZDLJQHVDL-QMMMGPOBSA-N 1 0 243.307 -1.319 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)CNC(=O)C1CC1 ZINC000614851475 364003121 /nfs/dbraw/zinc/00/31/21/364003121.db2.gz AREDSLYOZNYWEK-SECBINFHSA-N 1 0 243.307 -1.449 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)CNC(=O)C1CC1 ZINC000614851476 364003429 /nfs/dbraw/zinc/00/34/29/364003429.db2.gz AREDSLYOZNYWEK-VIFPVBQESA-N 1 0 243.307 -1.449 20 0 BAADRO Cn1ncc(C(=O)N[C@@H](CO)C[NH+](C)C)c1N ZINC000614851698 364005147 /nfs/dbraw/zinc/00/51/47/364005147.db2.gz KMFPWGGOZJNLFP-SSDOTTSWSA-N 1 0 241.295 -1.345 20 0 BAADRO Cn1ncc(C(=O)N[C@H](CO)C[NH+](C)C)c1N ZINC000614851699 364005669 /nfs/dbraw/zinc/00/56/69/364005669.db2.gz KMFPWGGOZJNLFP-ZETCQYMHSA-N 1 0 241.295 -1.345 20 0 BAADRO CCNC(=O)CCC(=O)N[C@@H](CO)C[NH+](C)C ZINC000614851775 364006438 /nfs/dbraw/zinc/00/64/38/364006438.db2.gz CMDQWYMNRNOFJX-SECBINFHSA-N 1 0 245.323 -1.059 20 0 BAADRO CCNC(=O)CCC(=O)N[C@H](CO)C[NH+](C)C ZINC000614851776 364006229 /nfs/dbraw/zinc/00/62/29/364006229.db2.gz CMDQWYMNRNOFJX-VIFPVBQESA-N 1 0 245.323 -1.059 20 0 BAADRO CN1C[C@H](C(=O)N[C@H](CO)C[NH+](C)C)CC1=O ZINC000614852000 364006987 /nfs/dbraw/zinc/00/69/87/364006987.db2.gz FCUFAXUBMGBXBM-BDAKNGLRSA-N 1 0 243.307 -1.497 20 0 BAADRO CN1C[C@@H](C(=O)N[C@@H](CO)C[NH+](C)C)CC1=O ZINC000614852001 364006973 /nfs/dbraw/zinc/00/69/73/364006973.db2.gz FCUFAXUBMGBXBM-DTWKUNHWSA-N 1 0 243.307 -1.497 20 0 BAADRO CN1C[C@@H](C(=O)N[C@H](CO)C[NH+](C)C)CC1=O ZINC000614852002 364007130 /nfs/dbraw/zinc/00/71/30/364007130.db2.gz FCUFAXUBMGBXBM-IUCAKERBSA-N 1 0 243.307 -1.497 20 0 BAADRO CN1C[C@H](C(=O)N[C@@H](CO)C[NH+](C)C)CC1=O ZINC000614852003 364006701 /nfs/dbraw/zinc/00/67/01/364006701.db2.gz FCUFAXUBMGBXBM-RKDXNWHRSA-N 1 0 243.307 -1.497 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)C(=O)NCC1CC1 ZINC000614853470 364007956 /nfs/dbraw/zinc/00/79/56/364007956.db2.gz WZGTXJRUKKTMLE-SECBINFHSA-N 1 0 243.307 -1.449 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)C(=O)NCC1CC1 ZINC000614853471 364007553 /nfs/dbraw/zinc/00/75/53/364007553.db2.gz WZGTXJRUKKTMLE-VIFPVBQESA-N 1 0 243.307 -1.449 20 0 BAADRO C[C@H](NC(N)=O)C(=O)N[C@H](CO)C[NH+](C)C ZINC000614853552 364006245 /nfs/dbraw/zinc/00/62/45/364006245.db2.gz YRISJKXKVPMSQX-BQBZGAKWSA-N 1 0 232.284 -1.918 20 0 BAADRO C[C@H](NC(N)=O)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614853553 364007105 /nfs/dbraw/zinc/00/71/05/364007105.db2.gz YRISJKXKVPMSQX-NKWVEPMBSA-N 1 0 232.284 -1.918 20 0 BAADRO CC(=O)N1CC(C(=O)N[C@H](CO)C[NH+](C)C)C1 ZINC000614853600 364008059 /nfs/dbraw/zinc/00/80/59/364008059.db2.gz ZPUJOHWYOZNGAL-JTQLQIEISA-N 1 0 243.307 -1.497 20 0 BAADRO CC(=O)N1CC(C(=O)N[C@@H](CO)C[NH+](C)C)C1 ZINC000614853601 364007519 /nfs/dbraw/zinc/00/75/19/364007519.db2.gz ZPUJOHWYOZNGAL-SNVBAGLBSA-N 1 0 243.307 -1.497 20 0 BAADRO CC(=O)NC(C)(C)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614854397 364010594 /nfs/dbraw/zinc/01/05/94/364010594.db2.gz ODCUDQABGXXJPD-SECBINFHSA-N 1 0 245.323 -1.060 20 0 BAADRO CC(=O)NC(C)(C)C(=O)N[C@H](CO)C[NH+](C)C ZINC000614854401 364010331 /nfs/dbraw/zinc/01/03/31/364010331.db2.gz ODCUDQABGXXJPD-VIFPVBQESA-N 1 0 245.323 -1.060 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)CCCC(N)=O ZINC000614854999 364010826 /nfs/dbraw/zinc/01/08/26/364010826.db2.gz UFBVEJGSBNKKEX-MRVPVSSYSA-N 1 0 231.296 -1.319 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)CCCC(N)=O ZINC000614855003 364010488 /nfs/dbraw/zinc/01/04/88/364010488.db2.gz UFBVEJGSBNKKEX-QMMMGPOBSA-N 1 0 231.296 -1.319 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1CCC(=O)NC1 ZINC000614855199 364010662 /nfs/dbraw/zinc/01/06/62/364010662.db2.gz VUTKZCVDDBGISK-BDAKNGLRSA-N 1 0 243.307 -1.449 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@H]1CCC(=O)NC1 ZINC000614855201 364010693 /nfs/dbraw/zinc/01/06/93/364010693.db2.gz VUTKZCVDDBGISK-DTWKUNHWSA-N 1 0 243.307 -1.449 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1CCC(=O)NC1 ZINC000614855202 364010083 /nfs/dbraw/zinc/01/00/83/364010083.db2.gz VUTKZCVDDBGISK-IUCAKERBSA-N 1 0 243.307 -1.449 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CCC(=O)NC1 ZINC000614855204 364010312 /nfs/dbraw/zinc/01/03/12/364010312.db2.gz VUTKZCVDDBGISK-RKDXNWHRSA-N 1 0 243.307 -1.449 20 0 BAADRO CCC(=O)N[C@H](C)C(=O)N[C@H](CO)C[NH+](C)C ZINC000614855499 364011511 /nfs/dbraw/zinc/01/15/11/364011511.db2.gz XMUFQXHLIJBECL-BDAKNGLRSA-N 1 0 245.323 -1.060 20 0 BAADRO CCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614855500 364011870 /nfs/dbraw/zinc/01/18/70/364011870.db2.gz XMUFQXHLIJBECL-DTWKUNHWSA-N 1 0 245.323 -1.060 20 0 BAADRO CCC(=O)N[C@@H](C)C(=O)N[C@H](CO)C[NH+](C)C ZINC000614855501 364011768 /nfs/dbraw/zinc/01/17/68/364011768.db2.gz XMUFQXHLIJBECL-IUCAKERBSA-N 1 0 245.323 -1.060 20 0 BAADRO CCC(=O)N[C@H](C)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614855502 364011778 /nfs/dbraw/zinc/01/17/78/364011778.db2.gz XMUFQXHLIJBECL-RKDXNWHRSA-N 1 0 245.323 -1.060 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)C(=O)NC1CC1 ZINC000614855649 364010376 /nfs/dbraw/zinc/01/03/76/364010376.db2.gz XZRVYGMALBVAAJ-MRVPVSSYSA-N 1 0 229.280 -1.696 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)C(=O)NC1CC1 ZINC000614855660 364010180 /nfs/dbraw/zinc/01/01/80/364010180.db2.gz XZRVYGMALBVAAJ-QMMMGPOBSA-N 1 0 229.280 -1.696 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)Cn1cncn1 ZINC000614855804 364011501 /nfs/dbraw/zinc/01/15/01/364011501.db2.gz ZHJGMLFYLIXPRO-MRVPVSSYSA-N 1 0 227.268 -1.683 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)Cn1cncn1 ZINC000614855805 364011966 /nfs/dbraw/zinc/01/19/66/364011966.db2.gz ZHJGMLFYLIXPRO-QMMMGPOBSA-N 1 0 227.268 -1.683 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CCNC1=O ZINC000614856714 364013097 /nfs/dbraw/zinc/01/30/97/364013097.db2.gz ABIPYUOJQVDZGC-HTQZYQBOSA-N 1 0 229.280 -1.839 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1CCNC1=O ZINC000614856715 364013115 /nfs/dbraw/zinc/01/31/15/364013115.db2.gz ABIPYUOJQVDZGC-JGVFFNPUSA-N 1 0 229.280 -1.839 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@H]1CCNC1=O ZINC000614856716 364012869 /nfs/dbraw/zinc/01/28/69/364012869.db2.gz ABIPYUOJQVDZGC-SFYZADRCSA-N 1 0 229.280 -1.839 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1CCNC1=O ZINC000614856717 364012929 /nfs/dbraw/zinc/01/29/29/364012929.db2.gz ABIPYUOJQVDZGC-YUMQZZPRSA-N 1 0 229.280 -1.839 20 0 BAADRO CC(=O)N[C@H](C)C(=O)N[C@H](CO)C[NH+](C)C ZINC000614857418 364013087 /nfs/dbraw/zinc/01/30/87/364013087.db2.gz BIVAMCLDTBLXPB-APPZFPTMSA-N 1 0 231.296 -1.450 20 0 BAADRO CC(=O)N[C@@H](C)C(=O)N[C@H](CO)C[NH+](C)C ZINC000614857419 364012816 /nfs/dbraw/zinc/01/28/16/364012816.db2.gz BIVAMCLDTBLXPB-CBAPKCEASA-N 1 0 231.296 -1.450 20 0 BAADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614857421 364013008 /nfs/dbraw/zinc/01/30/08/364013008.db2.gz BIVAMCLDTBLXPB-IONNQARKSA-N 1 0 231.296 -1.450 20 0 BAADRO CC(=O)N[C@H](C)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614857422 364013209 /nfs/dbraw/zinc/01/32/09/364013209.db2.gz BIVAMCLDTBLXPB-VXNVDRBHSA-N 1 0 231.296 -1.450 20 0 BAADRO COC[C@H](OC)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614857801 364012743 /nfs/dbraw/zinc/01/27/43/364012743.db2.gz DOJKDJKMYXZEJX-BDAKNGLRSA-N 1 0 234.296 -1.314 20 0 BAADRO COC[C@@H](OC)C(=O)N[C@H](CO)C[NH+](C)C ZINC000614857808 364012727 /nfs/dbraw/zinc/01/27/27/364012727.db2.gz DOJKDJKMYXZEJX-DTWKUNHWSA-N 1 0 234.296 -1.314 20 0 BAADRO COC[C@H](OC)C(=O)N[C@H](CO)C[NH+](C)C ZINC000614857809 364012482 /nfs/dbraw/zinc/01/24/82/364012482.db2.gz DOJKDJKMYXZEJX-IUCAKERBSA-N 1 0 234.296 -1.314 20 0 BAADRO COC[C@@H](OC)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614857810 364013179 /nfs/dbraw/zinc/01/31/79/364013179.db2.gz DOJKDJKMYXZEJX-RKDXNWHRSA-N 1 0 234.296 -1.314 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)CCNC(N)=O ZINC000614858276 364014384 /nfs/dbraw/zinc/01/43/84/364014384.db2.gz HFVALNVCMXGZEP-SSDOTTSWSA-N 1 0 232.284 -1.917 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)CCNC(N)=O ZINC000614858280 364014275 /nfs/dbraw/zinc/01/42/75/364014275.db2.gz HFVALNVCMXGZEP-ZETCQYMHSA-N 1 0 232.284 -1.917 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000614858540 364013959 /nfs/dbraw/zinc/01/39/59/364013959.db2.gz IVKBEBAJQHQMJN-AXTSPUMRSA-N 1 0 228.292 -1.083 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000614858541 364014350 /nfs/dbraw/zinc/01/43/50/364014350.db2.gz IVKBEBAJQHQMJN-IMSYWVGJSA-N 1 0 228.292 -1.083 20 0 BAADRO C[C@H](CC(=O)N[C@@H](CO)C[NH+](C)C)NC(N)=O ZINC000614858633 364014377 /nfs/dbraw/zinc/01/43/77/364014377.db2.gz QHRUWFRRSKBIJT-HTQZYQBOSA-N 1 0 246.311 -1.528 20 0 BAADRO C[C@@H](CC(=O)N[C@@H](CO)C[NH+](C)C)NC(N)=O ZINC000614858634 364013931 /nfs/dbraw/zinc/01/39/31/364013931.db2.gz QHRUWFRRSKBIJT-JGVFFNPUSA-N 1 0 246.311 -1.528 20 0 BAADRO C[C@H](CC(=O)N[C@H](CO)C[NH+](C)C)NC(N)=O ZINC000614858635 364013907 /nfs/dbraw/zinc/01/39/07/364013907.db2.gz QHRUWFRRSKBIJT-SFYZADRCSA-N 1 0 246.311 -1.528 20 0 BAADRO C[C@@H](CC(=O)N[C@H](CO)C[NH+](C)C)NC(N)=O ZINC000614858636 364014173 /nfs/dbraw/zinc/01/41/73/364014173.db2.gz QHRUWFRRSKBIJT-YUMQZZPRSA-N 1 0 246.311 -1.528 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@@]1(O)CCOC1 ZINC000614859034 364014369 /nfs/dbraw/zinc/01/43/69/364014369.db2.gz VINCFHDKBTUCDF-PSASIEDQSA-N 1 0 232.280 -1.824 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@]1(O)CCOC1 ZINC000614859035 364013992 /nfs/dbraw/zinc/01/39/92/364013992.db2.gz VINCFHDKBTUCDF-SCZZXKLOSA-N 1 0 232.280 -1.824 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@@]1(O)CCOC1 ZINC000614859036 364014084 /nfs/dbraw/zinc/01/40/84/364014084.db2.gz VINCFHDKBTUCDF-WCBMZHEXSA-N 1 0 232.280 -1.824 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@]1(O)CCOC1 ZINC000614859037 364014358 /nfs/dbraw/zinc/01/43/58/364014358.db2.gz VINCFHDKBTUCDF-WPRPVWTQSA-N 1 0 232.280 -1.824 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1CC(=O)N1 ZINC000614859038 364013893 /nfs/dbraw/zinc/01/38/93/364013893.db2.gz VIUOMLBDPHNKCZ-BQBZGAKWSA-N 1 0 215.253 -2.086 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1CC(=O)N1 ZINC000614859039 364014210 /nfs/dbraw/zinc/01/42/10/364014210.db2.gz VIUOMLBDPHNKCZ-NKWVEPMBSA-N 1 0 215.253 -2.086 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@H]1CC(=O)N1 ZINC000614859040 364014072 /nfs/dbraw/zinc/01/40/72/364014072.db2.gz VIUOMLBDPHNKCZ-RNFRBKRXSA-N 1 0 215.253 -2.086 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CC(=O)N1 ZINC000614859041 364014328 /nfs/dbraw/zinc/01/43/28/364014328.db2.gz VIUOMLBDPHNKCZ-RQJHMYQMSA-N 1 0 215.253 -2.086 20 0 BAADRO CN1C[C@H](C(=O)N[C@@H](CO)C[NH+](C)C)NC1=O ZINC000614859066 364014093 /nfs/dbraw/zinc/01/40/93/364014093.db2.gz WBPNPEXTGKEWQG-HTQZYQBOSA-N 1 0 244.295 -1.951 20 0 BAADRO CN1C[C@H](C(=O)N[C@H](CO)C[NH+](C)C)NC1=O ZINC000614859067 364014506 /nfs/dbraw/zinc/01/45/06/364014506.db2.gz WBPNPEXTGKEWQG-JGVFFNPUSA-N 1 0 244.295 -1.951 20 0 BAADRO CN1C[C@@H](C(=O)N[C@@H](CO)C[NH+](C)C)NC1=O ZINC000614859068 364014017 /nfs/dbraw/zinc/01/40/17/364014017.db2.gz WBPNPEXTGKEWQG-SFYZADRCSA-N 1 0 244.295 -1.951 20 0 BAADRO CN1C[C@@H](C(=O)N[C@H](CO)C[NH+](C)C)NC1=O ZINC000614859069 364014180 /nfs/dbraw/zinc/01/41/80/364014180.db2.gz WBPNPEXTGKEWQG-YUMQZZPRSA-N 1 0 244.295 -1.951 20 0 BAADRO Cc1nnc(CC(=O)N[C@@H](CO)C[NH+](C)C)[nH]1 ZINC000614859461 364015118 /nfs/dbraw/zinc/01/51/18/364015118.db2.gz ZUJZNHHSRALWEG-MRVPVSSYSA-N 1 0 241.295 -1.306 20 0 BAADRO Cc1nnc(CC(=O)N[C@H](CO)C[NH+](C)C)[nH]1 ZINC000614859462 364015468 /nfs/dbraw/zinc/01/54/68/364015468.db2.gz ZUJZNHHSRALWEG-QMMMGPOBSA-N 1 0 241.295 -1.306 20 0 BAADRO C[NH+](C)[C@H]1CN(C(=O)[C@H]2CC(=O)N2)C[C@@H]1O ZINC000615078540 364455670 /nfs/dbraw/zinc/45/56/70/364455670.db2.gz IBDWPXDKISGTRK-CSMHCCOUSA-N 1 0 227.264 -1.992 20 0 BAADRO C[NH+](C)[C@H]1CN(C(=O)[C@@H]2CC(=O)N2)C[C@@H]1O ZINC000615078541 364456273 /nfs/dbraw/zinc/45/62/73/364456273.db2.gz IBDWPXDKISGTRK-FXQIFTODSA-N 1 0 227.264 -1.992 20 0 BAADRO C[NH+](C)[C@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@@H]1O ZINC000615079244 364458432 /nfs/dbraw/zinc/45/84/32/364458432.db2.gz PNTSILSWKSWTFH-CIUDSAMLSA-N 1 0 241.291 -1.744 20 0 BAADRO C[NH+](C)[C@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@@H]1O ZINC000615079245 364458902 /nfs/dbraw/zinc/45/89/02/364458902.db2.gz PNTSILSWKSWTFH-VGMNWLOBSA-N 1 0 241.291 -1.744 20 0 BAADRO C[NH+](C)[C@H]1CN(C(=O)[C@@H](O)C2CC2)C[C@@H]1O ZINC000615079545 364461584 /nfs/dbraw/zinc/46/15/84/364461584.db2.gz IQKPYGXGJIMZOY-GUBZILKMSA-N 1 0 228.292 -1.109 20 0 BAADRO C[NH+](C)[C@H]1CN(C(=O)[C@H](O)C2CC2)C[C@@H]1O ZINC000615079547 364461453 /nfs/dbraw/zinc/46/14/53/364461453.db2.gz IQKPYGXGJIMZOY-LPEHRKFASA-N 1 0 228.292 -1.109 20 0 BAADRO COC[C@H](OC)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000615080224 364462970 /nfs/dbraw/zinc/46/29/70/364462970.db2.gz PIRYJIALYPNEPG-GUBZILKMSA-N 1 0 246.307 -1.219 20 0 BAADRO COC[C@@H](OC)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000615080225 364462845 /nfs/dbraw/zinc/46/28/45/364462845.db2.gz PIRYJIALYPNEPG-LPEHRKFASA-N 1 0 246.307 -1.219 20 0 BAADRO CC[NH+](CC)CC(=O)N1CC(O)(CO)C1 ZINC000615426130 367502756 /nfs/dbraw/zinc/50/27/56/367502756.db2.gz DPCSJILIPSONDJ-UHFFFAOYSA-N 1 0 216.281 -1.106 20 0 BAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CO)C1 ZINC000615426874 367600541 /nfs/dbraw/zinc/60/05/41/367600541.db2.gz ONNPWFNMRGREIV-UHFFFAOYSA-N 1 0 216.281 -1.108 20 0 BAADRO CN1CCO[C@@H](C(=O)N2CC(O)(CO)C2)C1 ZINC000615427371 367612557 /nfs/dbraw/zinc/61/25/57/367612557.db2.gz DBOVGWIUXWOYRY-MRVPVSSYSA-N 1 0 230.264 -2.117 20 0 BAADRO CN1CCO[C@H](C(=O)N2CC(O)(CO)C2)C1 ZINC000615427372 367612141 /nfs/dbraw/zinc/61/21/41/367612141.db2.gz DBOVGWIUXWOYRY-QMMMGPOBSA-N 1 0 230.264 -2.117 20 0 BAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CO)C1 ZINC000615427799 367621873 /nfs/dbraw/zinc/62/18/73/367621873.db2.gz NVWQWCXBGOGCDJ-MRVPVSSYSA-N 1 0 214.265 -1.354 20 0 BAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CO)C1 ZINC000615427805 367621740 /nfs/dbraw/zinc/62/17/40/367621740.db2.gz NVWQWCXBGOGCDJ-QMMMGPOBSA-N 1 0 214.265 -1.354 20 0 BAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CO)C2)C1 ZINC000615428069 367637756 /nfs/dbraw/zinc/63/77/56/367637756.db2.gz PNKNADBEMMZTKI-MRVPVSSYSA-N 1 0 214.265 -1.496 20 0 BAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CO)C2)C1 ZINC000615428078 367639744 /nfs/dbraw/zinc/63/97/44/367639744.db2.gz PNKNADBEMMZTKI-QMMMGPOBSA-N 1 0 214.265 -1.496 20 0 BAADRO C[NH+]1CCC(C(=O)N2CC(O)(CO)C2)CC1 ZINC000615429401 367659897 /nfs/dbraw/zinc/65/98/97/367659897.db2.gz NLQLIGGOUQZVRN-UHFFFAOYSA-N 1 0 228.292 -1.106 20 0 BAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CO)C1 ZINC000615429701 367656560 /nfs/dbraw/zinc/65/65/60/367656560.db2.gz XDCZKGGFGFLQOQ-UHFFFAOYSA-N 1 0 216.281 -1.106 20 0 BAADRO C[C@@H](C(=O)N1CC(O)(CO)C1)[NH+](C)C ZINC000615429747 367659851 /nfs/dbraw/zinc/65/98/51/367659851.db2.gz PRBMIUQBKHGITJ-ZETCQYMHSA-N 1 0 202.254 -1.498 20 0 BAADRO CC[C@H](C(=O)N1CC(O)(CO)C1)[NH+](C)C ZINC000615430581 367661121 /nfs/dbraw/zinc/66/11/21/367661121.db2.gz YDPGGAFVYLRCNB-MRVPVSSYSA-N 1 0 216.281 -1.108 20 0 BAADRO CC[C@@H](C(=O)N1CC(O)(CO)C1)[NH+](C)C ZINC000615430584 367661561 /nfs/dbraw/zinc/66/15/61/367661561.db2.gz YDPGGAFVYLRCNB-QMMMGPOBSA-N 1 0 216.281 -1.108 20 0 BAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CO)C2)C1 ZINC000615434589 367678803 /nfs/dbraw/zinc/67/88/03/367678803.db2.gz DYENJNCQOYVPFK-SECBINFHSA-N 1 0 228.292 -1.106 20 0 BAADRO C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CO)C2)C1 ZINC000615434591 367679052 /nfs/dbraw/zinc/67/90/52/367679052.db2.gz DYENJNCQOYVPFK-VIFPVBQESA-N 1 0 228.292 -1.106 20 0 BAADRO C[NH+](C)C1(C(=O)N2CC(O)(CO)C2)CC1 ZINC000615436884 367684112 /nfs/dbraw/zinc/68/41/12/367684112.db2.gz JAFMCNATIAVTTH-UHFFFAOYSA-N 1 0 214.265 -1.354 20 0 BAADRO C[C@@H]1[C@H](C(=O)N2CC(O)(CO)C2)CC[N@@H+]1C ZINC000615437240 367684607 /nfs/dbraw/zinc/68/46/07/367684607.db2.gz MHSBUTFCFVEVMH-RKDXNWHRSA-N 1 0 228.292 -1.108 20 0 BAADRO CNC(=O)NCC(=O)N1CC(C[NH+](C)C)C1 ZINC000615502951 368077921 /nfs/dbraw/zinc/07/79/21/368077921.db2.gz FAYYLTLTJUFFPC-UHFFFAOYSA-N 1 0 228.296 -1.065 20 0 BAADRO O=C(Cn1cnnn1)N1CC[N@@H+]2CC[C@H]1C2 ZINC000615560102 566470185 /nfs/dbraw/zinc/47/01/85/566470185.db2.gz JJAPSPDCBWQIDX-QMMMGPOBSA-N 1 0 222.252 -1.410 20 0 BAADRO CNC(=O)NCC(=O)N1CC[N@@H+]2CC[C@H]1C2 ZINC000615568970 491095253 /nfs/dbraw/zinc/09/52/53/491095253.db2.gz RBCGPFPAIWBLLB-QMMMGPOBSA-N 1 0 226.280 -1.168 20 0 BAADRO C[NH+](C)C1(C(=O)N[C@@H]2COC[C@H]2O)CC1 ZINC000615970628 368819219 /nfs/dbraw/zinc/81/92/19/368819219.db2.gz UVJYNRKQQJMEHW-HTQZYQBOSA-N 1 0 214.265 -1.044 20 0 BAADRO C[C@@H]1CN(CCO)CCN1C(=O)[C@@H]1CC(=O)N1 ZINC000616163237 368994933 /nfs/dbraw/zinc/99/49/33/368994933.db2.gz OYAHLCLLUJXICB-BDAKNGLRSA-N 1 0 241.291 -1.600 20 0 BAADRO C[C@H]1CN(CCO)CCN1C(=O)[C@H]1CC(=O)N1 ZINC000616163238 368994717 /nfs/dbraw/zinc/99/47/17/368994717.db2.gz OYAHLCLLUJXICB-DTWKUNHWSA-N 1 0 241.291 -1.600 20 0 BAADRO C[C@H]1CN(CCO)CCN1C(=O)[C@@H]1CC(=O)N1 ZINC000616163239 368994428 /nfs/dbraw/zinc/99/44/28/368994428.db2.gz OYAHLCLLUJXICB-IUCAKERBSA-N 1 0 241.291 -1.600 20 0 BAADRO C[C@@H](CNC(=O)C1(S(N)(=O)=O)CC1)[NH+](C)C ZINC000616488909 343474475 /nfs/dbraw/zinc/47/44/75/343474475.db2.gz BPXYLOYJIKRHJS-ZETCQYMHSA-N 1 0 249.336 -1.126 20 0 BAADRO C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH+](C)C ZINC000616489007 343475131 /nfs/dbraw/zinc/47/51/31/343475131.db2.gz HPFOMLLSMMZTDU-BQBZGAKWSA-N 1 0 242.279 -1.349 20 0 BAADRO NS(=O)(=O)C1CCN(CC[NH3+])CC1 ZINC000616619136 350926778 /nfs/dbraw/zinc/92/67/78/350926778.db2.gz FXEGPCHIBDFMQO-UHFFFAOYSA-N 1 0 207.299 -1.302 20 0 BAADRO O=C([C@H]1CC(=O)N1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000616702853 343544721 /nfs/dbraw/zinc/54/47/21/343544721.db2.gz HSCHNXJCPNTPHO-DJLDLDEBSA-N 1 0 239.275 -1.848 20 0 BAADRO O=C([C@@H]1CC(=O)N1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000616702854 343544785 /nfs/dbraw/zinc/54/47/85/343544785.db2.gz HSCHNXJCPNTPHO-YIZRAAEISA-N 1 0 239.275 -1.848 20 0 BAADRO C[NH+](C)CC(=O)NC[C@]1(OCCO)CCOC1 ZINC000617711448 356294993 /nfs/dbraw/zinc/29/49/93/356294993.db2.gz DKGOPIDWFYXERK-LLVKDONJSA-N 1 0 246.307 -1.168 20 0 BAADRO C[NH+](C)CC(=O)NC[C@@]1(OCCO)CCOC1 ZINC000617711449 356294866 /nfs/dbraw/zinc/29/48/66/356294866.db2.gz DKGOPIDWFYXERK-NSHDSACASA-N 1 0 246.307 -1.168 20 0 BAADRO CN(CCC[NH+](C)C)CCNC(=O)CO ZINC000617765654 356327872 /nfs/dbraw/zinc/32/78/72/356327872.db2.gz KZRQCVPMIPSNNA-UHFFFAOYSA-N 1 0 217.313 -1.022 20 0 BAADRO CN(CCC[NH+](C)C)CCNC(=O)CC(N)=O ZINC000617766511 356328818 /nfs/dbraw/zinc/32/88/18/356328818.db2.gz NHCMPQRSEAQAQE-UHFFFAOYSA-N 1 0 244.339 -1.139 20 0 BAADRO CN(CC1C[NH+](C)C1)C(=O)[C@H]1CC(=O)N1 ZINC000618189463 343518567 /nfs/dbraw/zinc/51/85/67/343518567.db2.gz KMDDCAFANQNMDD-MRVPVSSYSA-N 1 0 211.265 -1.105 20 0 BAADRO CN(CC1C[NH+](C)C1)C(=O)[C@@H]1CC(=O)N1 ZINC000618189464 343518549 /nfs/dbraw/zinc/51/85/49/343518549.db2.gz KMDDCAFANQNMDD-QMMMGPOBSA-N 1 0 211.265 -1.105 20 0 BAADRO CN(CC1C[NH+](C)C1)C(=O)[C@@H](CO)NC(N)=O ZINC000618191833 343576337 /nfs/dbraw/zinc/57/63/37/343576337.db2.gz UQQAIHLBOMXYOF-MRVPVSSYSA-N 1 0 244.295 -1.964 20 0 BAADRO CN(CC1C[NH+](C)C1)C(=O)[C@H](CO)NC(N)=O ZINC000618191834 343576103 /nfs/dbraw/zinc/57/61/03/343576103.db2.gz UQQAIHLBOMXYOF-QMMMGPOBSA-N 1 0 244.295 -1.964 20 0 BAADRO CN(CC1C[NH+](C)C1)C(=O)CNC(N)=O ZINC000618196654 343638288 /nfs/dbraw/zinc/63/82/88/343638288.db2.gz GNWUOGPKKLVWTD-UHFFFAOYSA-N 1 0 214.269 -1.325 20 0 BAADRO CN(CC1C[NH+](C)C1)C(=O)Cn1cnnn1 ZINC000618196853 343639474 /nfs/dbraw/zinc/63/94/74/343639474.db2.gz QBTVITDRHMROQO-UHFFFAOYSA-N 1 0 224.268 -1.307 20 0 BAADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CO ZINC000618306742 345803474 /nfs/dbraw/zinc/80/34/74/345803474.db2.gz HBZFXROXWLDWQL-UHFFFAOYSA-N 1 0 231.296 -1.543 20 0 BAADRO C[C@@H](O)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000618306799 369116473 /nfs/dbraw/zinc/11/64/73/369116473.db2.gz JLKPWJNHFVAPIM-SECBINFHSA-N 1 0 245.323 -1.154 20 0 BAADRO C[C@H](O)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000618306800 369116300 /nfs/dbraw/zinc/11/63/00/369116300.db2.gz JLKPWJNHFVAPIM-VIFPVBQESA-N 1 0 245.323 -1.154 20 0 BAADRO C[N@@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC000618423670 369143118 /nfs/dbraw/zinc/14/31/18/369143118.db2.gz KEKMBTHUIPSKSS-MRVPVSSYSA-N 1 0 224.268 -1.117 20 0 BAADRO NC(=O)NCC(=O)NCC[NH+]1CCCC1 ZINC000620159653 369753877 /nfs/dbraw/zinc/75/38/77/369753877.db2.gz XCGGRAFDVBXMKE-UHFFFAOYSA-N 1 0 214.269 -1.133 20 0 BAADRO C[N@@H+]1CCC[C@@H](NC(=O)CNC(N)=O)C1 ZINC000620207419 369766541 /nfs/dbraw/zinc/76/65/41/369766541.db2.gz FBXCAFOVGSDEPW-SSDOTTSWSA-N 1 0 214.269 -1.135 20 0 BAADRO C[N@@H+]1CCC[C@H](NC(=O)CNC(N)=O)C1 ZINC000620207420 369766486 /nfs/dbraw/zinc/76/64/86/369766486.db2.gz FBXCAFOVGSDEPW-ZETCQYMHSA-N 1 0 214.269 -1.135 20 0 BAADRO CN1CCN(CC(=O)N[C@H]2C[C@H](O)C2)CC1 ZINC000620872561 345896367 /nfs/dbraw/zinc/89/63/67/345896367.db2.gz HYWFIMDJNFGKQI-MGCOHNPYSA-N 1 0 227.308 -1.127 20 0 BAADRO CNS(=O)(=O)CCN(CC(N)=O)C(C)C ZINC000621245291 370178643 /nfs/dbraw/zinc/17/86/43/370178643.db2.gz XYFNPRWHULNHSP-UHFFFAOYSA-N 1 0 237.325 -1.269 20 0 BAADRO CNS(=O)(=O)CCN(CCO)C1CC1 ZINC000621247052 370181851 /nfs/dbraw/zinc/18/18/51/370181851.db2.gz FBYSSYSEMFCMCJ-UHFFFAOYSA-N 1 0 222.310 -1.008 20 0 BAADRO CNS(=O)(=O)CCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000621248910 398099246 /nfs/dbraw/zinc/09/92/46/398099246.db2.gz BZRMJTOIYXVHQH-IUCAKERBSA-N 1 0 233.337 -1.313 20 0 BAADRO CNS(=O)(=O)CCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000621248911 398098928 /nfs/dbraw/zinc/09/89/28/398098928.db2.gz BZRMJTOIYXVHQH-RKDXNWHRSA-N 1 0 233.337 -1.313 20 0 BAADRO CNS(=O)(=O)CC[N@@H+]1CCC[C@@H]1CO ZINC000621251055 370184245 /nfs/dbraw/zinc/18/42/45/370184245.db2.gz BMNXWGACMKGRLS-MRVPVSSYSA-N 1 0 222.310 -1.008 20 0 BAADRO CNC(=O)CC[N@H+](C)CCS(=O)(=O)NC ZINC000621254239 370186239 /nfs/dbraw/zinc/18/62/39/370186239.db2.gz MNGVQIALURUUGE-UHFFFAOYSA-N 1 0 237.325 -1.397 20 0 BAADRO CNS(=O)(=O)CC[N@@H+]1CCC[C@H]1CO ZINC000621254599 370188806 /nfs/dbraw/zinc/18/88/06/370188806.db2.gz BMNXWGACMKGRLS-QMMMGPOBSA-N 1 0 222.310 -1.008 20 0 BAADRO CNS(=O)(=O)CC[N@@H+]1CC[C@@](C)(O)C1 ZINC000621261111 350224808 /nfs/dbraw/zinc/22/48/08/350224808.db2.gz CXQOSGZHHHVSPX-MRVPVSSYSA-N 1 0 222.310 -1.008 20 0 BAADRO CNS(=O)(=O)CC[N@@H+]1CC[C@](C)(O)C1 ZINC000621261112 350224958 /nfs/dbraw/zinc/22/49/58/350224958.db2.gz CXQOSGZHHHVSPX-QMMMGPOBSA-N 1 0 222.310 -1.008 20 0 BAADRO CNS(=O)(=O)CC[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000621272640 370203988 /nfs/dbraw/zinc/20/39/88/370203988.db2.gz YQQFCJRHTGBVKJ-HTQZYQBOSA-N 1 0 222.310 -1.152 20 0 BAADRO CNS(=O)(=O)CC[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000621272641 370203788 /nfs/dbraw/zinc/20/37/88/370203788.db2.gz YQQFCJRHTGBVKJ-JGVFFNPUSA-N 1 0 222.310 -1.152 20 0 BAADRO CNS(=O)(=O)CC[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000621272642 370203737 /nfs/dbraw/zinc/20/37/37/370203737.db2.gz YQQFCJRHTGBVKJ-SFYZADRCSA-N 1 0 222.310 -1.152 20 0 BAADRO CNS(=O)(=O)CC[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000621272643 370204186 /nfs/dbraw/zinc/20/41/86/370204186.db2.gz YQQFCJRHTGBVKJ-YUMQZZPRSA-N 1 0 222.310 -1.152 20 0 BAADRO CNS(=O)(=O)CC[NH2+]C(C)(C)CC(N)=O ZINC000621278759 370210471 /nfs/dbraw/zinc/21/04/71/370210471.db2.gz XUNCMTUVAJKSPX-UHFFFAOYSA-N 1 0 237.325 -1.221 20 0 BAADRO CNS(=O)(=O)CC[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000621290000 370218015 /nfs/dbraw/zinc/21/80/15/370218015.db2.gz XQGCVJDCVGUYQC-SECBINFHSA-N 1 0 249.336 -1.267 20 0 BAADRO CNS(=O)(=O)CC[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000621290001 370217783 /nfs/dbraw/zinc/21/77/83/370217783.db2.gz XQGCVJDCVGUYQC-VIFPVBQESA-N 1 0 249.336 -1.267 20 0 BAADRO CNS(=O)(=O)CC[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000621290447 370218604 /nfs/dbraw/zinc/21/86/04/370218604.db2.gz KIKBXMIRFBKKLF-HTQZYQBOSA-N 1 0 249.336 -1.350 20 0 BAADRO CNS(=O)(=O)CC[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000621290448 370219027 /nfs/dbraw/zinc/21/90/27/370219027.db2.gz KIKBXMIRFBKKLF-JGVFFNPUSA-N 1 0 249.336 -1.350 20 0 BAADRO CNS(=O)(=O)CC[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000621290449 370219136 /nfs/dbraw/zinc/21/91/36/370219136.db2.gz KIKBXMIRFBKKLF-SFYZADRCSA-N 1 0 249.336 -1.350 20 0 BAADRO CNS(=O)(=O)CC[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000621290450 370218674 /nfs/dbraw/zinc/21/86/74/370218674.db2.gz KIKBXMIRFBKKLF-YUMQZZPRSA-N 1 0 249.336 -1.350 20 0 BAADRO CNS(=O)(=O)CCN(C)C1(CO)CC1 ZINC000621294809 370220535 /nfs/dbraw/zinc/22/05/35/370220535.db2.gz NNPMYNUCYHVJFE-UHFFFAOYSA-N 1 0 222.310 -1.008 20 0 BAADRO CNS(=O)(=O)CC[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000621295724 370221882 /nfs/dbraw/zinc/22/18/82/370221882.db2.gz WGKYDKFTYNDDDQ-MRVPVSSYSA-N 1 0 249.336 -1.267 20 0 BAADRO CNS(=O)(=O)CC[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000621295725 370221617 /nfs/dbraw/zinc/22/16/17/370221617.db2.gz WGKYDKFTYNDDDQ-QMMMGPOBSA-N 1 0 249.336 -1.267 20 0 BAADRO CNS(=O)(=O)CCN(CCO)C[C@@H](C)O ZINC000621296376 370223587 /nfs/dbraw/zinc/22/35/87/370223587.db2.gz QCFOHFIEFCRLQD-MRVPVSSYSA-N 1 0 240.325 -1.789 20 0 BAADRO CNS(=O)(=O)CCN(CCO)C[C@H](C)O ZINC000621296377 370223772 /nfs/dbraw/zinc/22/37/72/370223772.db2.gz QCFOHFIEFCRLQD-QMMMGPOBSA-N 1 0 240.325 -1.789 20 0 BAADRO CNS(=O)(=O)CC[N@@H+]1CC[C@@H](O)[C@H]1C ZINC000621299766 370227963 /nfs/dbraw/zinc/22/79/63/370227963.db2.gz OUWNXFLTEOODDO-HTQZYQBOSA-N 1 0 222.310 -1.009 20 0 BAADRO CNS(=O)(=O)CC[NH2+][C@@H]1COC[C@@H]1OC ZINC000621300909 370230783 /nfs/dbraw/zinc/23/07/83/370230783.db2.gz APQRUJIZRAUZJG-SFYZADRCSA-N 1 0 238.309 -1.461 20 0 BAADRO CNS(=O)(=O)CC[NH2+][C@@H]1COC[C@H]1OC ZINC000621311884 370236185 /nfs/dbraw/zinc/23/61/85/370236185.db2.gz APQRUJIZRAUZJG-HTQZYQBOSA-N 1 0 238.309 -1.461 20 0 BAADRO CNS(=O)(=O)CC[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000621321428 370249345 /nfs/dbraw/zinc/24/93/45/370249345.db2.gz HKGNUTSWYNOMJT-DTWKUNHWSA-N 1 0 234.321 -1.008 20 0 BAADRO Cc1nn(CC(=O)NCC[C@H](C)[NH3+])c(=O)n1C ZINC000621702298 388677596 /nfs/dbraw/zinc/67/75/96/388677596.db2.gz PZINNCSMSVWCGG-ZETCQYMHSA-N 1 0 241.295 -1.256 20 0 BAADRO C[C@H]([NH3+])CCNC(=O)CS(=O)(=O)N(C)C ZINC000621702663 343755386 /nfs/dbraw/zinc/75/53/86/343755386.db2.gz DUOYCWUARYINNQ-ZETCQYMHSA-N 1 0 237.325 -1.269 20 0 BAADRO C[C@H]([NH3+])CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000621703438 370450999 /nfs/dbraw/zinc/45/09/99/370450999.db2.gz WFDOIUDCXVBECR-BQBZGAKWSA-N 1 0 214.269 -1.137 20 0 BAADRO C[C@H]([NH3+])CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC000621703439 370451022 /nfs/dbraw/zinc/45/10/22/370451022.db2.gz WFDOIUDCXVBECR-NKWVEPMBSA-N 1 0 214.269 -1.137 20 0 BAADRO C[C@H]([NH3+])CCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC000621703824 370452165 /nfs/dbraw/zinc/45/21/65/370452165.db2.gz QYBMIEUKTZKZAV-JGVFFNPUSA-N 1 0 249.336 -1.126 20 0 BAADRO C[C@H]([NH3+])CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000621703825 370452094 /nfs/dbraw/zinc/45/20/94/370452094.db2.gz QYBMIEUKTZKZAV-YUMQZZPRSA-N 1 0 249.336 -1.126 20 0 BAADRO C[C@H]([NH3+])CCNC(=O)c1nc2n(n1)CCCN2 ZINC000621703881 370452250 /nfs/dbraw/zinc/45/22/50/370452250.db2.gz BRNUHISLNJIQRU-ZETCQYMHSA-N 1 0 238.295 -1.182 20 0 BAADRO C[C@@H]1CCN(C(=O)C(=O)NCC[NH3+])C[C@H]1CO ZINC000621846211 370558833 /nfs/dbraw/zinc/55/88/33/370558833.db2.gz YGNDOFXQRMMDGG-BDAKNGLRSA-N 1 0 243.307 -1.462 20 0 BAADRO C[C@H]1CCN(C(=O)C(=O)NCC[NH3+])C[C@@H]1CO ZINC000621846212 370557617 /nfs/dbraw/zinc/55/76/17/370557617.db2.gz YGNDOFXQRMMDGG-DTWKUNHWSA-N 1 0 243.307 -1.462 20 0 BAADRO C[C@H]1CCN(C(=O)C(=O)NCC[NH3+])C[C@H]1CO ZINC000621846213 370557494 /nfs/dbraw/zinc/55/74/94/370557494.db2.gz YGNDOFXQRMMDGG-IUCAKERBSA-N 1 0 243.307 -1.462 20 0 BAADRO C[C@@H]1CCN(C(=O)C(=O)NCC[NH3+])C[C@@H]1CO ZINC000621846214 370557607 /nfs/dbraw/zinc/55/76/07/370557607.db2.gz YGNDOFXQRMMDGG-RKDXNWHRSA-N 1 0 243.307 -1.462 20 0 BAADRO C[NH+](C)CCNC(=O)[C@@]1(O)CCOC1 ZINC000622275188 370816417 /nfs/dbraw/zinc/81/64/17/370816417.db2.gz UENAKQQMWMQBBQ-SECBINFHSA-N 1 0 202.254 -1.184 20 0 BAADRO C[NH+](C)CCNC(=O)[C@]1(O)CCOC1 ZINC000622275193 370816494 /nfs/dbraw/zinc/81/64/94/370816494.db2.gz UENAKQQMWMQBBQ-VIFPVBQESA-N 1 0 202.254 -1.184 20 0 BAADRO COCC[N@@H+]1CC[C@@H](NC(=O)CO)C1 ZINC000622361484 370868602 /nfs/dbraw/zinc/86/86/02/370868602.db2.gz ILBJNWXMRCMBCT-MRVPVSSYSA-N 1 0 202.254 -1.184 20 0 BAADRO COCC[N@@H+]1CC[C@H](NC(=O)CO)C1 ZINC000622361485 370868325 /nfs/dbraw/zinc/86/83/25/370868325.db2.gz ILBJNWXMRCMBCT-QMMMGPOBSA-N 1 0 202.254 -1.184 20 0 BAADRO C[C@@H](O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000622460159 370931923 /nfs/dbraw/zinc/93/19/23/370931923.db2.gz GRCFNSIXCALNIU-APPZFPTMSA-N 1 0 204.270 -1.204 20 0 BAADRO C[C@H](O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000622460160 370931593 /nfs/dbraw/zinc/93/15/93/370931593.db2.gz GRCFNSIXCALNIU-CBAPKCEASA-N 1 0 204.270 -1.204 20 0 BAADRO C[C@H](O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000622460161 370931781 /nfs/dbraw/zinc/93/17/81/370931781.db2.gz GRCFNSIXCALNIU-IONNQARKSA-N 1 0 204.270 -1.204 20 0 BAADRO C[C@@H](O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000622460162 370931650 /nfs/dbraw/zinc/93/16/50/370931650.db2.gz GRCFNSIXCALNIU-VXNVDRBHSA-N 1 0 204.270 -1.204 20 0 BAADRO O=C(CO)NC[C@H]1CCCC[N@H+]1CCO ZINC000622631006 345679447 /nfs/dbraw/zinc/67/94/47/345679447.db2.gz DGNQQTHXWITQLC-SECBINFHSA-N 1 0 216.281 -1.058 20 0 BAADRO O=C(CO)NC[C@@H]1CCCC[N@H+]1CCO ZINC000622631007 345678903 /nfs/dbraw/zinc/67/89/03/345678903.db2.gz DGNQQTHXWITQLC-VIFPVBQESA-N 1 0 216.281 -1.058 20 0 BAADRO O=C(CO)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000622631919 345680427 /nfs/dbraw/zinc/68/04/27/345680427.db2.gz ZRGVWRVKHNSTIQ-SECBINFHSA-N 1 0 216.281 -1.058 20 0 BAADRO O=C(CO)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000622631920 345680303 /nfs/dbraw/zinc/68/03/03/345680303.db2.gz ZRGVWRVKHNSTIQ-VIFPVBQESA-N 1 0 216.281 -1.058 20 0 BAADRO CNC(=O)C[C@@H](C)NC(=O)[C@@H]1CN(C)CCO1 ZINC000622654607 345769341 /nfs/dbraw/zinc/76/93/41/345769341.db2.gz QFBMKYNSFPFHQE-BDAKNGLRSA-N 1 0 243.307 -1.042 20 0 BAADRO CNC(=O)C[C@H](C)NC(=O)[C@H]1CN(C)CCO1 ZINC000622654608 345769539 /nfs/dbraw/zinc/76/95/39/345769539.db2.gz QFBMKYNSFPFHQE-DTWKUNHWSA-N 1 0 243.307 -1.042 20 0 BAADRO CNC(=O)C[C@H](C)NC(=O)[C@@H]1CN(C)CCO1 ZINC000622654609 345769704 /nfs/dbraw/zinc/76/97/04/345769704.db2.gz QFBMKYNSFPFHQE-IUCAKERBSA-N 1 0 243.307 -1.042 20 0 BAADRO CNC(=O)C[C@@H](C)NC(=O)[C@H]1CN(C)CCO1 ZINC000622654610 345769501 /nfs/dbraw/zinc/76/95/01/345769501.db2.gz QFBMKYNSFPFHQE-RKDXNWHRSA-N 1 0 243.307 -1.042 20 0 BAADRO CNS(=O)(=O)CC(=O)NCC1([NH+](C)C)CC1 ZINC000622721132 343574065 /nfs/dbraw/zinc/57/40/65/343574065.db2.gz DGGJFUKHQVIQBN-UHFFFAOYSA-N 1 0 249.336 -1.254 20 0 BAADRO C[NH+](C)C1(CNC(=O)Cn2cnnn2)CC1 ZINC000622721251 343573658 /nfs/dbraw/zinc/57/36/58/343573658.db2.gz IQPLYYGZNUMEFK-UHFFFAOYSA-N 1 0 224.268 -1.117 20 0 BAADRO Cn1ncnc1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000623053127 349280983 /nfs/dbraw/zinc/28/09/83/349280983.db2.gz RJXOLTBRBJRWGT-ZMONIFLSSA-N 1 0 207.237 -1.237 20 0 BAADRO COCc1nc(C(=O)NC2C[NH2+]C2)no1 ZINC000623057298 349331840 /nfs/dbraw/zinc/33/18/40/349331840.db2.gz KZHQAXODWKHPOR-UHFFFAOYSA-N 1 0 212.209 -1.082 20 0 BAADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNS(N)(=O)=O ZINC000623058918 349381687 /nfs/dbraw/zinc/38/16/87/349381687.db2.gz NBZYCLDBBDYOJE-NTSWFWBYSA-N 1 0 223.298 -1.108 20 0 BAADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNS(N)(=O)=O ZINC000623058919 349381968 /nfs/dbraw/zinc/38/19/68/349381968.db2.gz NBZYCLDBBDYOJE-PHDIDXHHSA-N 1 0 223.298 -1.108 20 0 BAADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNS(N)(=O)=O ZINC000623058920 349381613 /nfs/dbraw/zinc/38/16/13/349381613.db2.gz NBZYCLDBBDYOJE-RITPCOANSA-N 1 0 223.298 -1.108 20 0 BAADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNS(N)(=O)=O ZINC000623058921 349381771 /nfs/dbraw/zinc/38/17/71/349381771.db2.gz NBZYCLDBBDYOJE-WDSKDSINSA-N 1 0 223.298 -1.108 20 0 BAADRO CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000623059566 349386201 /nfs/dbraw/zinc/38/62/01/349386201.db2.gz YTZDQCLHQYXQEC-BQBZGAKWSA-N 1 0 229.280 -1.038 20 0 BAADRO CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000623059567 349386004 /nfs/dbraw/zinc/38/60/04/349386004.db2.gz YTZDQCLHQYXQEC-NKWVEPMBSA-N 1 0 229.280 -1.038 20 0 BAADRO CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000623059568 349386024 /nfs/dbraw/zinc/38/60/24/349386024.db2.gz YTZDQCLHQYXQEC-RNFRBKRXSA-N 1 0 229.280 -1.038 20 0 BAADRO CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000623059569 349386166 /nfs/dbraw/zinc/38/61/66/349386166.db2.gz YTZDQCLHQYXQEC-RQJHMYQMSA-N 1 0 229.280 -1.038 20 0 BAADRO CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000623060005 349415484 /nfs/dbraw/zinc/41/54/84/349415484.db2.gz BQWOHIBKSFZAST-HTQZYQBOSA-N 1 0 211.265 -1.057 20 0 BAADRO CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000623060006 349415800 /nfs/dbraw/zinc/41/58/00/349415800.db2.gz BQWOHIBKSFZAST-JGVFFNPUSA-N 1 0 211.265 -1.057 20 0 BAADRO CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000623060007 349415347 /nfs/dbraw/zinc/41/53/47/349415347.db2.gz BQWOHIBKSFZAST-SFYZADRCSA-N 1 0 211.265 -1.057 20 0 BAADRO CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000623060008 349415406 /nfs/dbraw/zinc/41/54/06/349415406.db2.gz BQWOHIBKSFZAST-YUMQZZPRSA-N 1 0 211.265 -1.057 20 0 BAADRO COCC[NH2+]C1CCN(S(N)(=O)=O)CC1 ZINC000623060785 349421138 /nfs/dbraw/zinc/42/11/38/349421138.db2.gz OYNBYRHMKCXWRP-UHFFFAOYSA-N 1 0 237.325 -1.110 20 0 BAADRO NS(=O)(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000623061454 349417370 /nfs/dbraw/zinc/41/73/70/349417370.db2.gz ZPGFOYIHTHPQBA-BQBZGAKWSA-N 1 0 205.283 -1.126 20 0 BAADRO NS(=O)(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000623061455 349417359 /nfs/dbraw/zinc/41/73/59/349417359.db2.gz ZPGFOYIHTHPQBA-NKWVEPMBSA-N 1 0 205.283 -1.126 20 0 BAADRO NS(=O)(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000623061456 349417300 /nfs/dbraw/zinc/41/73/00/349417300.db2.gz ZPGFOYIHTHPQBA-RNFRBKRXSA-N 1 0 205.283 -1.126 20 0 BAADRO NS(=O)(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000623061457 349416990 /nfs/dbraw/zinc/41/69/90/349416990.db2.gz ZPGFOYIHTHPQBA-RQJHMYQMSA-N 1 0 205.283 -1.126 20 0 BAADRO NS(=O)(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000623064867 349474438 /nfs/dbraw/zinc/47/44/38/349474438.db2.gz IPRDZADIGKWVAJ-UHFFFAOYSA-N 1 0 207.255 -2.136 20 0 BAADRO CNC(=O)C(=O)NC1(CCO)C[NH2+]C1 ZINC000623066306 349804982 /nfs/dbraw/zinc/80/49/82/349804982.db2.gz DNSIIPAGPALFPH-UHFFFAOYSA-N 1 0 201.226 -2.427 20 0 BAADRO Cc1nc(C(=O)NC2(CCO)C[NH2+]C2)n(C)n1 ZINC000623066907 349807593 /nfs/dbraw/zinc/80/75/93/349807593.db2.gz SRZZACCDCWXUIB-UHFFFAOYSA-N 1 0 239.279 -1.422 20 0 BAADRO CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000623066947 398083246 /nfs/dbraw/zinc/08/32/46/398083246.db2.gz UKWNBELAGZCRNG-SSDOTTSWSA-N 1 0 214.269 -2.166 20 0 BAADRO CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000623066948 398083227 /nfs/dbraw/zinc/08/32/27/398083227.db2.gz UKWNBELAGZCRNG-ZETCQYMHSA-N 1 0 214.269 -2.166 20 0 BAADRO COCC[NH2+]CCNC(=O)c1ncnn1C ZINC000623068514 350006708 /nfs/dbraw/zinc/00/67/08/350006708.db2.gz CEENUPPZTCYQOT-UHFFFAOYSA-N 1 0 227.268 -1.219 20 0 BAADRO CNC(=O)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000623070012 350076159 /nfs/dbraw/zinc/07/61/59/350076159.db2.gz WSFPUGVVMZAGQJ-JTQLQIEISA-N 1 0 229.280 -1.383 20 0 BAADRO CNC(=O)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000623070013 350076129 /nfs/dbraw/zinc/07/61/29/350076129.db2.gz WSFPUGVVMZAGQJ-SNVBAGLBSA-N 1 0 229.280 -1.383 20 0 BAADRO CNC(=O)C(=O)N1CCNC[C@@](C)(F)C1 ZINC000623070533 350087801 /nfs/dbraw/zinc/08/78/01/350087801.db2.gz JQICPBUVRMFREP-SECBINFHSA-N 1 0 217.244 -1.108 20 0 BAADRO CNC(=O)C(=O)N1CCNC[C@](C)(F)C1 ZINC000623070534 350088207 /nfs/dbraw/zinc/08/82/07/350088207.db2.gz JQICPBUVRMFREP-VIFPVBQESA-N 1 0 217.244 -1.108 20 0 BAADRO CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000623072539 350105344 /nfs/dbraw/zinc/10/53/44/350105344.db2.gz FJRFFYGGUHOYJI-PHDIDXHHSA-N 1 0 203.217 -1.370 20 0 BAADRO CCO[C@@H]1CN(C(=O)C(=O)NC)C[C@H]1C[NH3+] ZINC000623073155 350108051 /nfs/dbraw/zinc/10/80/51/350108051.db2.gz KRPWKYIMWORKIW-HTQZYQBOSA-N 1 0 229.280 -1.445 20 0 BAADRO CN1C(=O)CN(CC(=O)NCC[NH+](C)C)C1=O ZINC000623370354 356872834 /nfs/dbraw/zinc/87/28/34/356872834.db2.gz HFEKYKGKZMAKJB-UHFFFAOYSA-N 1 0 242.279 -1.442 20 0 BAADRO Nc1nc(N2CCC[C@@H](O)C2)nc(N)[nH+]1 ZINC000623790625 371095342 /nfs/dbraw/zinc/09/53/42/371095342.db2.gz NKWBSGSYWGKJJO-RXMQYKEDSA-N 1 0 210.241 -1.342 20 0 BAADRO Nc1nc(N2CCC[C@H](O)C2)nc(N)[nH+]1 ZINC000623790632 371095250 /nfs/dbraw/zinc/09/52/50/371095250.db2.gz NKWBSGSYWGKJJO-YFKPBYRVSA-N 1 0 210.241 -1.342 20 0 BAADRO Nc1nc(NCCN2CCOCC2)nc(N)[nH+]1 ZINC000623790816 363014424 /nfs/dbraw/zinc/01/44/24/363014424.db2.gz QTKUSLFWUISCMD-UHFFFAOYSA-N 1 0 239.283 -2.137 20 0 BAADRO CCOCCCNc1nc(N)[nH+]c(N)n1 ZINC000623791316 371095609 /nfs/dbraw/zinc/09/56/09/371095609.db2.gz GXSZTBPZQLZGKV-UHFFFAOYSA-N 1 0 212.257 -1.043 20 0 BAADRO Nc1nc(N2CCC[C@H](CO)C2)nc(N)[nH+]1 ZINC000623791662 371095056 /nfs/dbraw/zinc/09/50/56/371095056.db2.gz SDRYJNPPQXIKMX-LURJTMIESA-N 1 0 224.268 -1.095 20 0 BAADRO Nc1nc(N2CCC[C@@H](CO)C2)nc(N)[nH+]1 ZINC000623791663 371095016 /nfs/dbraw/zinc/09/50/16/371095016.db2.gz SDRYJNPPQXIKMX-ZCFIWIBFSA-N 1 0 224.268 -1.095 20 0 BAADRO CN(C)S(=O)(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC000623793446 371096660 /nfs/dbraw/zinc/09/66/60/371096660.db2.gz FYHWLLLSDIQIOO-MRVPVSSYSA-N 1 0 249.336 -1.145 20 0 BAADRO CN(C)S(=O)(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC000623793447 371096888 /nfs/dbraw/zinc/09/68/88/371096888.db2.gz FYHWLLLSDIQIOO-QMMMGPOBSA-N 1 0 249.336 -1.145 20 0 BAADRO CC(=O)NCCNc1nc(N)[nH+]c(N)n1 ZINC000623797806 398312490 /nfs/dbraw/zinc/31/24/90/398312490.db2.gz CFXIFWGWHNLSAX-UHFFFAOYSA-N 1 0 211.229 -2.333 20 0 BAADRO CN(C)C(=O)CN(C)c1nc(N)[nH+]c(N)n1 ZINC000623800567 363514534 /nfs/dbraw/zinc/51/45/34/363514534.db2.gz PXMLAQMMPVMANL-UHFFFAOYSA-N 1 0 225.256 -1.779 20 0 BAADRO Nc1nc(NCCn2ccnc2)nc(N)[nH+]1 ZINC000623800867 371099509 /nfs/dbraw/zinc/09/95/09/371099509.db2.gz BPGJWQDGEFGYDK-UHFFFAOYSA-N 1 0 220.240 -1.573 20 0 BAADRO CC(C)C(=O)NCCNc1nc(N)[nH+]c(N)n1 ZINC000623800926 371099482 /nfs/dbraw/zinc/09/94/82/371099482.db2.gz DNCLUIRSKGAJGU-UHFFFAOYSA-N 1 0 239.283 -1.697 20 0 BAADRO Nc1nc(NCCNC(=O)C2CC2)nc(N)[nH+]1 ZINC000623801428 371099524 /nfs/dbraw/zinc/09/95/24/371099524.db2.gz WTQDFVALLIIBAI-UHFFFAOYSA-N 1 0 237.267 -1.943 20 0 BAADRO CCNC(=O)CN(CC)c1nc(N)[nH+]c(N)n1 ZINC000623803381 371099543 /nfs/dbraw/zinc/09/95/43/371099543.db2.gz CLAPOPWJUZDUEL-UHFFFAOYSA-N 1 0 239.283 -1.341 20 0 BAADRO CN(C)C(=O)CNc1nc(N)[nH+]c(N)n1 ZINC000623806544 371100702 /nfs/dbraw/zinc/10/07/02/371100702.db2.gz YMSZJCKAMNVBKO-UHFFFAOYSA-N 1 0 211.229 -2.381 20 0 BAADRO CCNC(=O)CNc1nc(N)[nH+]c(N)n1 ZINC000623808414 371104077 /nfs/dbraw/zinc/10/40/77/371104077.db2.gz QGOKIFPPNAMWBF-UHFFFAOYSA-N 1 0 211.229 -2.333 20 0 BAADRO Nc1nc(NCC[NH+]2CCCC2)nc(N)[nH+]1 ZINC000623809559 371105292 /nfs/dbraw/zinc/10/52/92/371105292.db2.gz JGLLGLYHQBXMLV-UHFFFAOYSA-N 1 0 223.284 -1.374 20 0 BAADRO CCNC(=O)[C@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000623809660 368971789 /nfs/dbraw/zinc/97/17/89/368971789.db2.gz MIFZIOSOLAEPNU-BYPYZUCNSA-N 1 0 225.256 -1.945 20 0 BAADRO CCNC(=O)[C@@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000623809661 368971512 /nfs/dbraw/zinc/97/15/12/368971512.db2.gz MIFZIOSOLAEPNU-SCSAIBSYSA-N 1 0 225.256 -1.945 20 0 BAADRO CC(C)NC(=O)CN(C)c1nc(N)[nH+]c(N)n1 ZINC000623810327 371105038 /nfs/dbraw/zinc/10/50/38/371105038.db2.gz SXZYOMPPRKFZAC-UHFFFAOYSA-N 1 0 239.283 -1.342 20 0 BAADRO CN(CC(=O)NC1CC1)c1nc(N)[nH+]c(N)n1 ZINC000623810360 371105318 /nfs/dbraw/zinc/10/53/18/371105318.db2.gz VDDHPSCOIKZWAO-UHFFFAOYSA-N 1 0 237.267 -1.588 20 0 BAADRO CC(C)NC(=O)CNc1nc(N)[nH+]c(N)n1 ZINC000623811176 346865372 /nfs/dbraw/zinc/86/53/72/346865372.db2.gz ZQALEDCIDOITDF-UHFFFAOYSA-N 1 0 225.256 -1.945 20 0 BAADRO Nc1nc(NCC(=O)NC2CC2)nc(N)[nH+]1 ZINC000623812091 371106949 /nfs/dbraw/zinc/10/69/49/371106949.db2.gz IWABPCFVMPHCSS-UHFFFAOYSA-N 1 0 223.240 -2.191 20 0 BAADRO COCCOCCCNc1nc(N)[nH+]c(N)n1 ZINC000623813427 371106471 /nfs/dbraw/zinc/10/64/71/371106471.db2.gz NMBFAIANEBNJKP-UHFFFAOYSA-N 1 0 242.283 -1.416 20 0 BAADRO COCCNC(=O)CNc1nc(N)[nH+]c(N)n1 ZINC000623818021 371108362 /nfs/dbraw/zinc/10/83/62/371108362.db2.gz VPLALLDOORMNNA-UHFFFAOYSA-N 1 0 241.255 -2.707 20 0 BAADRO CC(C)NC(=O)CCNc1nc(N)[nH+]c(N)n1 ZINC000623833698 371117896 /nfs/dbraw/zinc/11/78/96/371117896.db2.gz UJCAVIORLGSUEG-UHFFFAOYSA-N 1 0 239.283 -1.555 20 0 BAADRO CS(=O)(=O)NCCNc1nc(N)[nH+]c(N)n1 ZINC000623834182 350627647 /nfs/dbraw/zinc/62/76/47/350627647.db2.gz PBAPIVNUOBVSMW-UHFFFAOYSA-N 1 0 247.284 -2.920 20 0 BAADRO Nc1nc(N2CCC(=O)CC2)nc(N)[nH+]1 ZINC000623835620 371119838 /nfs/dbraw/zinc/11/98/38/371119838.db2.gz RHVWMNADTOSHOF-UHFFFAOYSA-N 1 0 208.225 -1.134 20 0 BAADRO Nc1nc(N2CCc3n[nH]cc3C2)nc(N)[nH+]1 ZINC000623838294 343145822 /nfs/dbraw/zinc/14/58/22/343145822.db2.gz NXKQXDYIVMEHAP-UHFFFAOYSA-N 1 0 232.251 -1.017 20 0 BAADRO CC(=O)NCCCNc1nc(N)[nH+]c(N)n1 ZINC000623838726 371121587 /nfs/dbraw/zinc/12/15/87/371121587.db2.gz AOFFCTWQHQUUQX-UHFFFAOYSA-N 1 0 225.256 -1.943 20 0 BAADRO Cn1nccc1CNc1nc(N)[nH+]c(N)n1 ZINC000623845463 371123617 /nfs/dbraw/zinc/12/36/17/371123617.db2.gz CUTSOYDMQFCYOC-UHFFFAOYSA-N 1 0 220.240 -1.536 20 0 BAADRO Nc1nc(NCCCn2cccn2)nc(N)[nH+]1 ZINC000623846123 371124655 /nfs/dbraw/zinc/12/46/55/371124655.db2.gz KJRCDDWSFUZOBH-UHFFFAOYSA-N 1 0 234.267 -1.183 20 0 BAADRO Nc1nc(NCCCn2cncn2)nc(N)[nH+]1 ZINC000623850268 371127366 /nfs/dbraw/zinc/12/73/66/371127366.db2.gz BHKCHYWCXLQPEH-UHFFFAOYSA-N 1 0 235.255 -1.788 20 0 BAADRO COCCOCCNc1nc(N)[nH+]c(N)n1 ZINC000623850917 371127334 /nfs/dbraw/zinc/12/73/34/371127334.db2.gz WEPOFFSXINFEME-UHFFFAOYSA-N 1 0 228.256 -1.806 20 0 BAADRO C[C@@H](Cn1ccnc1)Nc1nc(N)[nH+]c(N)n1 ZINC000623851852 371128157 /nfs/dbraw/zinc/12/81/57/371128157.db2.gz JQWWOABOAOKHNY-LURJTMIESA-N 1 0 234.267 -1.184 20 0 BAADRO C[C@H](Cn1ccnc1)Nc1nc(N)[nH+]c(N)n1 ZINC000623851853 371127904 /nfs/dbraw/zinc/12/79/04/371127904.db2.gz JQWWOABOAOKHNY-ZCFIWIBFSA-N 1 0 234.267 -1.184 20 0 BAADRO C[C@@H](Cn1cccn1)Nc1nc(N)[nH+]c(N)n1 ZINC000623853403 344409952 /nfs/dbraw/zinc/40/99/52/344409952.db2.gz XQNAQYMGKLVOGK-LURJTMIESA-N 1 0 234.267 -1.184 20 0 BAADRO C[C@H](Cn1cccn1)Nc1nc(N)[nH+]c(N)n1 ZINC000623853404 344409972 /nfs/dbraw/zinc/40/99/72/344409972.db2.gz XQNAQYMGKLVOGK-ZCFIWIBFSA-N 1 0 234.267 -1.184 20 0 BAADRO Nc1nc(N2CCC(CO)CC2)nc(N)[nH+]1 ZINC000623861972 371132274 /nfs/dbraw/zinc/13/22/74/371132274.db2.gz HXOOGPPBXBIYGB-UHFFFAOYSA-N 1 0 224.268 -1.095 20 0 BAADRO CN(C)C(=O)CCNc1nc(N)[nH+]c(N)n1 ZINC000623867985 371134051 /nfs/dbraw/zinc/13/40/51/371134051.db2.gz QAGVILNGZLHYIR-UHFFFAOYSA-N 1 0 225.256 -1.991 20 0 BAADRO CC(C)(CNc1nc(N)[nH+]c(N)n1)C(N)=O ZINC000623869324 351090324 /nfs/dbraw/zinc/09/03/24/351090324.db2.gz VRFHTPNLKFBOKQ-UHFFFAOYSA-N 1 0 225.256 -1.958 20 0 BAADRO Cn1cc(CCNc2nc(N)[nH+]c(N)n2)cn1 ZINC000623869682 351229044 /nfs/dbraw/zinc/22/90/44/351229044.db2.gz GFWMPCUDMCWRHU-UHFFFAOYSA-N 1 0 234.267 -1.493 20 0 BAADRO CNC(=O)[C@H]1CCCN1c1nc(N)[nH+]c(N)n1 ZINC000623870655 371134544 /nfs/dbraw/zinc/13/45/44/371134544.db2.gz HZRSUJRHFLOJDM-RXMQYKEDSA-N 1 0 237.267 -1.588 20 0 BAADRO CNC(=O)[C@@H]1CCCN1c1nc(N)[nH+]c(N)n1 ZINC000623870656 371133855 /nfs/dbraw/zinc/13/38/55/371133855.db2.gz HZRSUJRHFLOJDM-YFKPBYRVSA-N 1 0 237.267 -1.588 20 0 BAADRO CNC(=O)CCCNc1nc(N)[nH+]c(N)n1 ZINC000623873215 371135335 /nfs/dbraw/zinc/13/53/35/371135335.db2.gz AVRDTLHSRHKOAP-UHFFFAOYSA-N 1 0 225.256 -1.943 20 0 BAADRO CNC(=O)CCNc1nc(N)[nH+]c(N)n1 ZINC000623875652 371136094 /nfs/dbraw/zinc/13/60/94/371136094.db2.gz RBMVKFINDYZXBG-UHFFFAOYSA-N 1 0 211.229 -2.333 20 0 BAADRO CCNC(=O)CN(C)c1nc(N)[nH+]c(N)n1 ZINC000623875865 371137542 /nfs/dbraw/zinc/13/75/42/371137542.db2.gz ZWIAKAMZXCSLHG-UHFFFAOYSA-N 1 0 225.256 -1.731 20 0 BAADRO Nc1nc(NC[C@@H]2CCCOC2)nc(N)[nH+]1 ZINC000623880221 371138308 /nfs/dbraw/zinc/13/83/08/371138308.db2.gz BXPJBAHAKJVGRT-LURJTMIESA-N 1 0 224.268 -1.043 20 0 BAADRO Nc1nc(NC[C@H]2CCCOC2)nc(N)[nH+]1 ZINC000623880222 371138882 /nfs/dbraw/zinc/13/88/82/371138882.db2.gz BXPJBAHAKJVGRT-ZCFIWIBFSA-N 1 0 224.268 -1.043 20 0 BAADRO CCCNC(=O)CCNc1nc(N)[nH+]c(N)n1 ZINC000623881955 371139150 /nfs/dbraw/zinc/13/91/50/371139150.db2.gz FVBSEFYXHSFGIV-UHFFFAOYSA-N 1 0 239.283 -1.553 20 0 BAADRO Nc1nc(NCCn2cccn2)nc(N)[nH+]1 ZINC000623882948 371138587 /nfs/dbraw/zinc/13/85/87/371138587.db2.gz NVKODOXNLSRJGX-UHFFFAOYSA-N 1 0 220.240 -1.573 20 0 BAADRO CS(=O)(=O)CCCNc1nc(N)[nH+]c(N)n1 ZINC000623883180 371138860 /nfs/dbraw/zinc/13/88/60/371138860.db2.gz UPFFVWLVEPZIFU-UHFFFAOYSA-N 1 0 246.296 -2.035 20 0 BAADRO Nc1nc(N[C@@H]2CCCCNC2=O)nc(N)[nH+]1 ZINC000623883600 385921912 /nfs/dbraw/zinc/92/19/12/385921912.db2.gz GCDMZGOSCOOITB-RXMQYKEDSA-N 1 0 237.267 -1.801 20 0 BAADRO Nc1nc(N[C@H]2CCCCNC2=O)nc(N)[nH+]1 ZINC000623883601 385920820 /nfs/dbraw/zinc/92/08/20/385920820.db2.gz GCDMZGOSCOOITB-YFKPBYRVSA-N 1 0 237.267 -1.801 20 0 BAADRO Nc1nc(NCC2(O)CCCC2)nc(N)[nH+]1 ZINC000623884210 371140075 /nfs/dbraw/zinc/14/00/75/371140075.db2.gz VBXPQDOLGBTMOQ-UHFFFAOYSA-N 1 0 224.268 -1.164 20 0 BAADRO Cn1cc(CNc2nc(N)[nH+]c(N)n2)cn1 ZINC000623884990 371140149 /nfs/dbraw/zinc/14/01/49/371140149.db2.gz OEQJDODSVKDAFJ-UHFFFAOYSA-N 1 0 220.240 -1.536 20 0 BAADRO CN(C)C(=O)CCCNc1nc(N)[nH+]c(N)n1 ZINC000623888700 371140170 /nfs/dbraw/zinc/14/01/70/371140170.db2.gz QMXFBYSATNBGRO-UHFFFAOYSA-N 1 0 239.283 -1.601 20 0 BAADRO Cc1n[nH]cc1CNc1nc(N)[nH+]c(N)n1 ZINC000623891413 371143312 /nfs/dbraw/zinc/14/33/12/371143312.db2.gz LZIZNCVLFUHLJU-UHFFFAOYSA-N 1 0 220.240 -1.238 20 0 BAADRO COC[C@H](C)CNc1nc(N)[nH+]c(N)n1 ZINC000623894176 371143831 /nfs/dbraw/zinc/14/38/31/371143831.db2.gz LEMJCTSMCUSGFP-RXMQYKEDSA-N 1 0 212.257 -1.187 20 0 BAADRO COC[C@@H](C)CNc1nc(N)[nH+]c(N)n1 ZINC000623894177 371143958 /nfs/dbraw/zinc/14/39/58/371143958.db2.gz LEMJCTSMCUSGFP-YFKPBYRVSA-N 1 0 212.257 -1.187 20 0 BAADRO Nc1nc(N2CCC[C@@H]2CO)nc(N)[nH+]1 ZINC000623900414 371146508 /nfs/dbraw/zinc/14/65/08/371146508.db2.gz KOHWHPSKFACCII-RXMQYKEDSA-N 1 0 210.241 -1.342 20 0 BAADRO Nc1nc(N2CCN(C3CC3)CC2)nc(N)[nH+]1 ZINC000623900907 371146601 /nfs/dbraw/zinc/14/66/01/371146601.db2.gz VGQHLJSUCFQQLK-UHFFFAOYSA-N 1 0 235.295 -1.019 20 0 BAADRO Nc1nc(N[C@H]2CCCNC2=O)nc(N)[nH+]1 ZINC000623908661 371151035 /nfs/dbraw/zinc/15/10/35/371151035.db2.gz LCIWFWHJOJPNIA-BYPYZUCNSA-N 1 0 223.240 -2.191 20 0 BAADRO Nc1nc(N2CCCOCC2)nc(N)[nH+]1 ZINC000623908685 371151061 /nfs/dbraw/zinc/15/10/61/371151061.db2.gz LUKMPUCLVFQKPY-UHFFFAOYSA-N 1 0 210.241 -1.077 20 0 BAADRO C[C@H](Cn1cncn1)Nc1nc(N)[nH+]c(N)n1 ZINC000623908859 371151725 /nfs/dbraw/zinc/15/17/25/371151725.db2.gz UNNPUSMRASVZAU-RXMQYKEDSA-N 1 0 235.255 -1.789 20 0 BAADRO C[C@@H](Cn1cncn1)Nc1nc(N)[nH+]c(N)n1 ZINC000623908860 371151379 /nfs/dbraw/zinc/15/13/79/371151379.db2.gz UNNPUSMRASVZAU-YFKPBYRVSA-N 1 0 235.255 -1.789 20 0 BAADRO Cc1noc(CCNc2nc(N)[nH+]c(N)n2)n1 ZINC000623909316 371151756 /nfs/dbraw/zinc/15/17/56/371151756.db2.gz QQGLGDONODIMGF-UHFFFAOYSA-N 1 0 236.239 -1.535 20 0 BAADRO Nc1nc(NCC2CCOCC2)nc(N)[nH+]1 ZINC000623913146 356499922 /nfs/dbraw/zinc/49/99/22/356499922.db2.gz GAKYUPVLQQTDEO-UHFFFAOYSA-N 1 0 224.268 -1.043 20 0 BAADRO C[C@H](Nc1nc(N)[nH+]c(N)n1)C(C)(C)O ZINC000623913499 371152899 /nfs/dbraw/zinc/15/28/99/371152899.db2.gz RRUCHFQJPHDITC-BYPYZUCNSA-N 1 0 212.257 -1.310 20 0 BAADRO C[C@@H](Nc1nc(N)[nH+]c(N)n1)C(C)(C)O ZINC000623913500 371152799 /nfs/dbraw/zinc/15/27/99/371152799.db2.gz RRUCHFQJPHDITC-SCSAIBSYSA-N 1 0 212.257 -1.310 20 0 BAADRO Nc1nc(N[C@@H]2CCCC[C@H]2O)nc(N)[nH+]1 ZINC000623923808 371157758 /nfs/dbraw/zinc/15/77/58/371157758.db2.gz LRNUOGVKVUZKLD-PHDIDXHHSA-N 1 0 224.268 -1.166 20 0 BAADRO Nc1nc(N[C@H]2CCCC[C@@H]2O)nc(N)[nH+]1 ZINC000623923810 371157963 /nfs/dbraw/zinc/15/79/63/371157963.db2.gz LRNUOGVKVUZKLD-WDSKDSINSA-N 1 0 224.268 -1.166 20 0 BAADRO COCC[C@@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000623924400 356796751 /nfs/dbraw/zinc/79/67/51/356796751.db2.gz AADVOWRQMHEDCX-RXMQYKEDSA-N 1 0 212.257 -1.044 20 0 BAADRO COCC[C@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000623924401 356796726 /nfs/dbraw/zinc/79/67/26/356796726.db2.gz AADVOWRQMHEDCX-YFKPBYRVSA-N 1 0 212.257 -1.044 20 0 BAADRO CN1C[C@@H](Nc2nc(N)[nH+]c(N)n2)CC1=O ZINC000623925927 356825967 /nfs/dbraw/zinc/82/59/67/356825967.db2.gz TWHQWSIWBUGQHS-BYPYZUCNSA-N 1 0 223.240 -2.239 20 0 BAADRO CN1C[C@H](Nc2nc(N)[nH+]c(N)n2)CC1=O ZINC000623925928 356826364 /nfs/dbraw/zinc/82/63/64/356826364.db2.gz TWHQWSIWBUGQHS-SCSAIBSYSA-N 1 0 223.240 -2.239 20 0 BAADRO CC[C@@](C)(O)CNc1nc(N)[nH+]c(N)n1 ZINC000623926034 356837654 /nfs/dbraw/zinc/83/76/54/356837654.db2.gz WKNIYEZUSOUUOA-MRVPVSSYSA-N 1 0 212.257 -1.308 20 0 BAADRO CC[C@](C)(O)CNc1nc(N)[nH+]c(N)n1 ZINC000623926035 356837696 /nfs/dbraw/zinc/83/76/96/356837696.db2.gz WKNIYEZUSOUUOA-QMMMGPOBSA-N 1 0 212.257 -1.308 20 0 BAADRO CO[C@H](C)CCNc1nc(N)[nH+]c(N)n1 ZINC000623929053 371159255 /nfs/dbraw/zinc/15/92/55/371159255.db2.gz KSTVEVIIUUWNKS-RXMQYKEDSA-N 1 0 212.257 -1.044 20 0 BAADRO CO[C@@H](C)CCNc1nc(N)[nH+]c(N)n1 ZINC000623929054 371158974 /nfs/dbraw/zinc/15/89/74/371158974.db2.gz KSTVEVIIUUWNKS-YFKPBYRVSA-N 1 0 212.257 -1.044 20 0 BAADRO Cn1cc(CCCNc2nc(N)[nH+]c(N)n2)cn1 ZINC000623930735 371159060 /nfs/dbraw/zinc/15/90/60/371159060.db2.gz YJTPODQPMGKJLT-UHFFFAOYSA-N 1 0 248.294 -1.103 20 0 BAADRO CNC(=O)CCN(C)c1nc(N)[nH+]c(N)n1 ZINC000623933772 356934657 /nfs/dbraw/zinc/93/46/57/356934657.db2.gz QJZHMQFNWGOSJS-UHFFFAOYSA-N 1 0 225.256 -1.731 20 0 BAADRO Nc1nc(NC[C@@H](O)C2CC2)nc(N)[nH+]1 ZINC000623937239 371166206 /nfs/dbraw/zinc/16/62/06/371166206.db2.gz ZQVSPLDYKFRMST-RXMQYKEDSA-N 1 0 210.241 -1.699 20 0 BAADRO Nc1nc(NC[C@H](O)C2CC2)nc(N)[nH+]1 ZINC000623937240 371166780 /nfs/dbraw/zinc/16/67/80/371166780.db2.gz ZQVSPLDYKFRMST-YFKPBYRVSA-N 1 0 210.241 -1.699 20 0 BAADRO Cn1ccnc1CNc1nc(N)[nH+]c(N)n1 ZINC000623937450 371167195 /nfs/dbraw/zinc/16/71/95/371167195.db2.gz HAKHDCDESUYXOQ-UHFFFAOYSA-N 1 0 220.240 -1.536 20 0 BAADRO Nc1nc(N2CCC[C@H]2CO)nc(N)[nH+]1 ZINC000623939258 371168198 /nfs/dbraw/zinc/16/81/98/371168198.db2.gz KOHWHPSKFACCII-YFKPBYRVSA-N 1 0 210.241 -1.342 20 0 BAADRO CN(c1nc(N)[nH+]c(N)n1)[C@@H]1CCOC1 ZINC000623953648 371175489 /nfs/dbraw/zinc/17/54/89/371175489.db2.gz LLDMVWIIZIXZSU-RXMQYKEDSA-N 1 0 210.241 -1.078 20 0 BAADRO CN(c1nc(N)[nH+]c(N)n1)[C@H]1CCOC1 ZINC000623953649 371176646 /nfs/dbraw/zinc/17/66/46/371176646.db2.gz LLDMVWIIZIXZSU-YFKPBYRVSA-N 1 0 210.241 -1.078 20 0 BAADRO Nc1nc(NCC2(O)CCC2)nc(N)[nH+]1 ZINC000623954568 371177762 /nfs/dbraw/zinc/17/77/62/371177762.db2.gz SFGRPLJIMIATBI-UHFFFAOYSA-N 1 0 210.241 -1.554 20 0 BAADRO CC(C)C[C@@H](CO)Nc1nc(N)[nH+]c(N)n1 ZINC000623955361 371177655 /nfs/dbraw/zinc/17/76/55/371177655.db2.gz XQXKLEKPQMJTRF-LURJTMIESA-N 1 0 226.284 -1.062 20 0 BAADRO CC(C)C[C@H](CO)Nc1nc(N)[nH+]c(N)n1 ZINC000623955362 371177972 /nfs/dbraw/zinc/17/79/72/371177972.db2.gz XQXKLEKPQMJTRF-ZCFIWIBFSA-N 1 0 226.284 -1.062 20 0 BAADRO Nc1nc(NCCOCC2CC2)nc(N)[nH+]1 ZINC000623955365 371177990 /nfs/dbraw/zinc/17/79/90/371177990.db2.gz XTNIHEURMIAQFV-UHFFFAOYSA-N 1 0 224.268 -1.043 20 0 BAADRO COCC[C@@](C)(O)CNc1nc(N)[nH+]c(N)n1 ZINC000623963496 371200260 /nfs/dbraw/zinc/20/02/60/371200260.db2.gz IXQBGWQYRYISGW-SECBINFHSA-N 1 0 242.283 -1.682 20 0 BAADRO COCC[C@](C)(O)CNc1nc(N)[nH+]c(N)n1 ZINC000623963497 371199986 /nfs/dbraw/zinc/19/99/86/371199986.db2.gz IXQBGWQYRYISGW-VIFPVBQESA-N 1 0 242.283 -1.682 20 0 BAADRO CC(C)[C@](C)(O)CNc1nc(N)[nH+]c(N)n1 ZINC000623963651 371200335 /nfs/dbraw/zinc/20/03/35/371200335.db2.gz LXQFUXNBGUWETR-SECBINFHSA-N 1 0 226.284 -1.062 20 0 BAADRO CC(C)[C@@](C)(O)CNc1nc(N)[nH+]c(N)n1 ZINC000623963652 371200367 /nfs/dbraw/zinc/20/03/67/371200367.db2.gz LXQFUXNBGUWETR-VIFPVBQESA-N 1 0 226.284 -1.062 20 0 BAADRO C[C@@](O)(CNc1nc(N)[nH+]c(N)n1)C1CC1 ZINC000623964245 371200299 /nfs/dbraw/zinc/20/02/99/371200299.db2.gz ATDXJPGWXULZDU-SECBINFHSA-N 1 0 224.268 -1.308 20 0 BAADRO C[C@](O)(CNc1nc(N)[nH+]c(N)n1)C1CC1 ZINC000623964246 371199811 /nfs/dbraw/zinc/19/98/11/371199811.db2.gz ATDXJPGWXULZDU-VIFPVBQESA-N 1 0 224.268 -1.308 20 0 BAADRO COC[C@](C)(O)CNc1nc(N)[nH+]c(N)n1 ZINC000623965611 371202555 /nfs/dbraw/zinc/20/25/55/371202555.db2.gz OSGUXWJHDXKODZ-MRVPVSSYSA-N 1 0 228.256 -2.072 20 0 BAADRO COC[C@@](C)(O)CNc1nc(N)[nH+]c(N)n1 ZINC000623965612 371202515 /nfs/dbraw/zinc/20/25/15/371202515.db2.gz OSGUXWJHDXKODZ-QMMMGPOBSA-N 1 0 228.256 -2.072 20 0 BAADRO CCC[C@@H](O)CNc1nc(N)[nH+]c(N)n1 ZINC000623966366 398315108 /nfs/dbraw/zinc/31/51/08/398315108.db2.gz NYBKGEKKMJDONJ-RXMQYKEDSA-N 1 0 212.257 -1.308 20 0 BAADRO CCC[C@H](O)CNc1nc(N)[nH+]c(N)n1 ZINC000623966367 398315179 /nfs/dbraw/zinc/31/51/79/398315179.db2.gz NYBKGEKKMJDONJ-YFKPBYRVSA-N 1 0 212.257 -1.308 20 0 BAADRO CC[C@H](C)[C@H](O)CNc1nc(N)[nH+]c(N)n1 ZINC000623966438 398314967 /nfs/dbraw/zinc/31/49/67/398314967.db2.gz REHDRLXUUNHIPL-NTSWFWBYSA-N 1 0 226.284 -1.062 20 0 BAADRO CC[C@@H](C)[C@H](O)CNc1nc(N)[nH+]c(N)n1 ZINC000623966439 398314976 /nfs/dbraw/zinc/31/49/76/398314976.db2.gz REHDRLXUUNHIPL-PHDIDXHHSA-N 1 0 226.284 -1.062 20 0 BAADRO CC[C@@H](C)[C@@H](O)CNc1nc(N)[nH+]c(N)n1 ZINC000623966440 398315022 /nfs/dbraw/zinc/31/50/22/398315022.db2.gz REHDRLXUUNHIPL-RITPCOANSA-N 1 0 226.284 -1.062 20 0 BAADRO CC[C@H](C)[C@@H](O)CNc1nc(N)[nH+]c(N)n1 ZINC000623966441 398314865 /nfs/dbraw/zinc/31/48/65/398314865.db2.gz REHDRLXUUNHIPL-WDSKDSINSA-N 1 0 226.284 -1.062 20 0 BAADRO CC1(CNc2nc(N)[nH+]c(N)n2)COC1 ZINC000623967827 371203507 /nfs/dbraw/zinc/20/35/07/371203507.db2.gz KAYTZEFXYFOWEN-UHFFFAOYSA-N 1 0 210.241 -1.433 20 0 BAADRO C[C@]1(CNc2nc(N)[nH+]c(N)n2)CCOC1 ZINC000623970099 371206477 /nfs/dbraw/zinc/20/64/77/371206477.db2.gz DHMMAGLJBDANJW-SECBINFHSA-N 1 0 224.268 -1.043 20 0 BAADRO C[C@@]1(CNc2nc(N)[nH+]c(N)n2)CCOC1 ZINC000623970100 371206705 /nfs/dbraw/zinc/20/67/05/371206705.db2.gz DHMMAGLJBDANJW-VIFPVBQESA-N 1 0 224.268 -1.043 20 0 BAADRO Cc1cc(CNc2nc(N)[nH+]c(N)n2)[nH]n1 ZINC000623970937 371206608 /nfs/dbraw/zinc/20/66/08/371206608.db2.gz FQOPCFLHQSXALV-UHFFFAOYSA-N 1 0 220.240 -1.238 20 0 BAADRO C[C@@H](CS(C)(=O)=O)Nc1nc(N)[nH+]c(N)n1 ZINC000623971244 371206852 /nfs/dbraw/zinc/20/68/52/371206852.db2.gz OQRQKPXABWYALF-BYPYZUCNSA-N 1 0 246.296 -2.036 20 0 BAADRO C[C@H](CS(C)(=O)=O)Nc1nc(N)[nH+]c(N)n1 ZINC000623971245 371206836 /nfs/dbraw/zinc/20/68/36/371206836.db2.gz OQRQKPXABWYALF-SCSAIBSYSA-N 1 0 246.296 -2.036 20 0 BAADRO Nc1nc(N[C@H]2CCc3n[nH]cc3C2)nc(N)[nH+]1 ZINC000623971531 371208259 /nfs/dbraw/zinc/20/82/59/371208259.db2.gz ZHJQKTHEEAKQLC-LURJTMIESA-N 1 0 246.278 -1.189 20 0 BAADRO Nc1nc(N[C@@H]2CCc3n[nH]cc3C2)nc(N)[nH+]1 ZINC000623971532 371207684 /nfs/dbraw/zinc/20/76/84/371207684.db2.gz ZHJQKTHEEAKQLC-ZCFIWIBFSA-N 1 0 246.278 -1.189 20 0 BAADRO CN(CC(C)(C)O)c1nc(N)[nH+]c(N)n1 ZINC000623973406 371208162 /nfs/dbraw/zinc/20/81/62/371208162.db2.gz PAYBDFBGHWPBLQ-UHFFFAOYSA-N 1 0 212.257 -1.096 20 0 BAADRO CCn1cnnc1CCNc1nc(N)[nH+]c(N)n1 ZINC000623979715 371213345 /nfs/dbraw/zinc/21/33/45/371213345.db2.gz JVHXRNQAJBHRMH-UHFFFAOYSA-N 1 0 249.282 -1.615 20 0 BAADRO CC(C)(C)[C@@H](CO)Nc1nc(N)[nH+]c(N)n1 ZINC000623981062 371214207 /nfs/dbraw/zinc/21/42/07/371214207.db2.gz XIPBONYTKAEQPX-RXMQYKEDSA-N 1 0 226.284 -1.062 20 0 BAADRO CC(C)(C)[C@H](CO)Nc1nc(N)[nH+]c(N)n1 ZINC000623981063 371214169 /nfs/dbraw/zinc/21/41/69/371214169.db2.gz XIPBONYTKAEQPX-YFKPBYRVSA-N 1 0 226.284 -1.062 20 0 BAADRO CN1C[C@H](Nc2nc(N)[nH+]c(N)n2)CCC1=O ZINC000623984281 371216624 /nfs/dbraw/zinc/21/66/24/371216624.db2.gz CDXYCOACOQYXAO-RXMQYKEDSA-N 1 0 237.267 -1.849 20 0 BAADRO CN1C[C@@H](Nc2nc(N)[nH+]c(N)n2)CCC1=O ZINC000623984282 371217613 /nfs/dbraw/zinc/21/76/13/371217613.db2.gz CDXYCOACOQYXAO-YFKPBYRVSA-N 1 0 237.267 -1.849 20 0 BAADRO CN(c1nc(N)[nH+]c(N)n1)[C@@H]1CCN(C)C1=O ZINC000623984332 371217329 /nfs/dbraw/zinc/21/73/29/371217329.db2.gz FBPYNUUIGGDALA-RXMQYKEDSA-N 1 0 237.267 -1.636 20 0 BAADRO CN(c1nc(N)[nH+]c(N)n1)[C@H]1CCN(C)C1=O ZINC000623984333 371218322 /nfs/dbraw/zinc/21/83/22/371218322.db2.gz FBPYNUUIGGDALA-YFKPBYRVSA-N 1 0 237.267 -1.636 20 0 BAADRO CC[C@H](COC)Nc1nc(N)[nH+]c(N)n1 ZINC000623985346 371218609 /nfs/dbraw/zinc/21/86/09/371218609.db2.gz NHPYNVCYLBISHI-RXMQYKEDSA-N 1 0 212.257 -1.044 20 0 BAADRO CC[C@@H](COC)Nc1nc(N)[nH+]c(N)n1 ZINC000623985347 371218480 /nfs/dbraw/zinc/21/84/80/371218480.db2.gz NHPYNVCYLBISHI-YFKPBYRVSA-N 1 0 212.257 -1.044 20 0 BAADRO CN1CC[C@H](Nc2nc(N)[nH+]c(N)n2)C1=O ZINC000623986245 358432353 /nfs/dbraw/zinc/43/23/53/358432353.db2.gz QQZJXAONNMSEMB-BYPYZUCNSA-N 1 0 223.240 -2.239 20 0 BAADRO CN1CC[C@@H](Nc2nc(N)[nH+]c(N)n2)C1=O ZINC000623986246 358432644 /nfs/dbraw/zinc/43/26/44/358432644.db2.gz QQZJXAONNMSEMB-SCSAIBSYSA-N 1 0 223.240 -2.239 20 0 BAADRO COC[C@@H](CCO)Nc1nc(N)[nH+]c(N)n1 ZINC000623986683 371219517 /nfs/dbraw/zinc/21/95/17/371219517.db2.gz DIIUWFQVYYZSJF-RXMQYKEDSA-N 1 0 228.256 -2.072 20 0 BAADRO COC[C@H](CCO)Nc1nc(N)[nH+]c(N)n1 ZINC000623986684 371219661 /nfs/dbraw/zinc/21/96/61/371219661.db2.gz DIIUWFQVYYZSJF-YFKPBYRVSA-N 1 0 228.256 -2.072 20 0 BAADRO CN1CCN(c2nc(N)[nH+]c(N)n2)CC1=O ZINC000623988262 359382252 /nfs/dbraw/zinc/38/22/52/359382252.db2.gz DAWNBIFIPQSUTC-UHFFFAOYSA-N 1 0 223.240 -2.025 20 0 BAADRO CC(C)[C@H](O)CNc1nc(N)[nH+]c(N)n1 ZINC000623988284 371222568 /nfs/dbraw/zinc/22/25/68/371222568.db2.gz DMYAGJOAIIXFSV-RXMQYKEDSA-N 1 0 212.257 -1.453 20 0 BAADRO CC(C)[C@@H](O)CNc1nc(N)[nH+]c(N)n1 ZINC000623988285 371222068 /nfs/dbraw/zinc/22/20/68/371222068.db2.gz DMYAGJOAIIXFSV-YFKPBYRVSA-N 1 0 212.257 -1.453 20 0 BAADRO C[C@@H](CO)[C@@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000623988495 371221920 /nfs/dbraw/zinc/22/19/20/371221920.db2.gz MGEGQYBVXDBWHK-CRCLSJGQSA-N 1 0 212.257 -1.453 20 0 BAADRO C[C@@H](Nc1nc(N)[nH+]c(N)n1)[C@H](C)CO ZINC000623988496 371221562 /nfs/dbraw/zinc/22/15/62/371221562.db2.gz MGEGQYBVXDBWHK-RFZPGFLSSA-N 1 0 212.257 -1.453 20 0 BAADRO C[C@H](CO)[C@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000623988497 371222433 /nfs/dbraw/zinc/22/24/33/371222433.db2.gz MGEGQYBVXDBWHK-UHNVWZDZSA-N 1 0 212.257 -1.453 20 0 BAADRO C[C@@H](CO)[C@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000623988498 371222447 /nfs/dbraw/zinc/22/24/47/371222447.db2.gz MGEGQYBVXDBWHK-WHFBIAKZSA-N 1 0 212.257 -1.453 20 0 BAADRO C[C@@H](O)C[C@H](C)CNc1nc(N)[nH+]c(N)n1 ZINC000623988761 371222224 /nfs/dbraw/zinc/22/22/24/371222224.db2.gz WODPJNQJOSDQSI-NTSWFWBYSA-N 1 0 226.284 -1.062 20 0 BAADRO C[C@@H](O)C[C@@H](C)CNc1nc(N)[nH+]c(N)n1 ZINC000623988762 371222093 /nfs/dbraw/zinc/22/20/93/371222093.db2.gz WODPJNQJOSDQSI-PHDIDXHHSA-N 1 0 226.284 -1.062 20 0 BAADRO C[C@@H](CNc1nc(N)[nH+]c(N)n1)C[C@H](C)O ZINC000623988763 371222475 /nfs/dbraw/zinc/22/24/75/371222475.db2.gz WODPJNQJOSDQSI-RITPCOANSA-N 1 0 226.284 -1.062 20 0 BAADRO C[C@H](O)C[C@H](C)CNc1nc(N)[nH+]c(N)n1 ZINC000623988764 371221989 /nfs/dbraw/zinc/22/19/89/371221989.db2.gz WODPJNQJOSDQSI-WDSKDSINSA-N 1 0 226.284 -1.062 20 0 BAADRO CC[C@H](CCO)Nc1nc(N)[nH+]c(N)n1 ZINC000623989430 371223452 /nfs/dbraw/zinc/22/34/52/371223452.db2.gz XETSLVWERMOWRM-RXMQYKEDSA-N 1 0 212.257 -1.308 20 0 BAADRO CC[C@@H](CCO)Nc1nc(N)[nH+]c(N)n1 ZINC000623989431 371223043 /nfs/dbraw/zinc/22/30/43/371223043.db2.gz XETSLVWERMOWRM-YFKPBYRVSA-N 1 0 212.257 -1.308 20 0 BAADRO C[C@H](CC(N)=O)Nc1nc(N)[nH+]c(N)n1 ZINC000623991263 369073000 /nfs/dbraw/zinc/07/30/00/369073000.db2.gz BZVUDOQSNZVDBM-GSVOUGTGSA-N 1 0 211.229 -2.206 20 0 BAADRO C[C@@H](CC(N)=O)Nc1nc(N)[nH+]c(N)n1 ZINC000623991264 369073090 /nfs/dbraw/zinc/07/30/90/369073090.db2.gz BZVUDOQSNZVDBM-VKHMYHEASA-N 1 0 211.229 -2.206 20 0 BAADRO CCCN(CC(=O)NC)c1nc(N)[nH+]c(N)n1 ZINC000623992248 371225642 /nfs/dbraw/zinc/22/56/42/371225642.db2.gz IFHUUVDGYVOZAR-UHFFFAOYSA-N 1 0 239.283 -1.341 20 0 BAADRO COC[C@@H]1CN(c2nc(N)[nH+]c(N)n2)CCO1 ZINC000623994387 371228171 /nfs/dbraw/zinc/22/81/71/371228171.db2.gz YATMNQWCGFHZEZ-LURJTMIESA-N 1 0 240.267 -1.452 20 0 BAADRO COC[C@H]1CN(c2nc(N)[nH+]c(N)n2)CCO1 ZINC000623994388 371228593 /nfs/dbraw/zinc/22/85/93/371228593.db2.gz YATMNQWCGFHZEZ-ZCFIWIBFSA-N 1 0 240.267 -1.452 20 0 BAADRO C[C@H](Nc1nc(N)[nH+]c(N)n1)[C@@H]1CCOC1 ZINC000623996596 371228986 /nfs/dbraw/zinc/22/89/86/371228986.db2.gz LZAXFFMTKQXDNK-NTSWFWBYSA-N 1 0 224.268 -1.044 20 0 BAADRO C[C@@H](Nc1nc(N)[nH+]c(N)n1)[C@@H]1CCOC1 ZINC000623996597 371229102 /nfs/dbraw/zinc/22/91/02/371229102.db2.gz LZAXFFMTKQXDNK-PHDIDXHHSA-N 1 0 224.268 -1.044 20 0 BAADRO C[C@@H](Nc1nc(N)[nH+]c(N)n1)[C@H]1CCOC1 ZINC000623996598 371229069 /nfs/dbraw/zinc/22/90/69/371229069.db2.gz LZAXFFMTKQXDNK-RITPCOANSA-N 1 0 224.268 -1.044 20 0 BAADRO C[C@H](Nc1nc(N)[nH+]c(N)n1)[C@H]1CCOC1 ZINC000623996599 371229509 /nfs/dbraw/zinc/22/95/09/371229509.db2.gz LZAXFFMTKQXDNK-WDSKDSINSA-N 1 0 224.268 -1.044 20 0 BAADRO COCCOC[C@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000623996663 371229789 /nfs/dbraw/zinc/22/97/89/371229789.db2.gz NOLDDXCIMFIXSC-LURJTMIESA-N 1 0 242.283 -1.418 20 0 BAADRO COCCOC[C@@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000623996664 371228901 /nfs/dbraw/zinc/22/89/01/371228901.db2.gz NOLDDXCIMFIXSC-ZCFIWIBFSA-N 1 0 242.283 -1.418 20 0 BAADRO CN1C(=O)C[C@@H](Nc2nc(N)[nH+]c(N)n2)C1=O ZINC000623998530 362921288 /nfs/dbraw/zinc/92/12/88/362921288.db2.gz VMIGIDCXHWEQRH-GSVOUGTGSA-N 1 0 237.223 -2.712 20 0 BAADRO CN1C(=O)C[C@H](Nc2nc(N)[nH+]c(N)n2)C1=O ZINC000623998531 362921136 /nfs/dbraw/zinc/92/11/36/362921136.db2.gz VMIGIDCXHWEQRH-VKHMYHEASA-N 1 0 237.223 -2.712 20 0 BAADRO C[C@@H](O)CCN(C)c1nc(N)[nH+]c(N)n1 ZINC000623999358 371232552 /nfs/dbraw/zinc/23/25/52/371232552.db2.gz PZHGWLUVFCQCNG-RXMQYKEDSA-N 1 0 212.257 -1.096 20 0 BAADRO C[C@H](O)CCN(C)c1nc(N)[nH+]c(N)n1 ZINC000623999363 371232429 /nfs/dbraw/zinc/23/24/29/371232429.db2.gz PZHGWLUVFCQCNG-YFKPBYRVSA-N 1 0 212.257 -1.096 20 0 BAADRO Nc1nc(N(CCO)CC2CC2)nc(N)[nH+]1 ZINC000624000392 371231864 /nfs/dbraw/zinc/23/18/64/371231864.db2.gz ZZCDZDKOSOAJAX-UHFFFAOYSA-N 1 0 224.268 -1.095 20 0 BAADRO CC(C)[C@H](CCO)Nc1nc(N)[nH+]c(N)n1 ZINC000624000810 371233467 /nfs/dbraw/zinc/23/34/67/371233467.db2.gz MEYQSGCXZYWELY-LURJTMIESA-N 1 0 226.284 -1.062 20 0 BAADRO CC(C)[C@@H](CCO)Nc1nc(N)[nH+]c(N)n1 ZINC000624000811 371233788 /nfs/dbraw/zinc/23/37/88/371233788.db2.gz MEYQSGCXZYWELY-ZCFIWIBFSA-N 1 0 226.284 -1.062 20 0 BAADRO COC(C)(C)CNc1nc(N)[nH+]c(N)n1 ZINC000624001549 371233422 /nfs/dbraw/zinc/23/34/22/371233422.db2.gz FMUZOYXAXOMTRT-UHFFFAOYSA-N 1 0 212.257 -1.044 20 0 BAADRO Nc1nc(NC[C@@H]2CCC[C@H]2O)nc(N)[nH+]1 ZINC000624002835 371239358 /nfs/dbraw/zinc/23/93/58/371239358.db2.gz HCZDBTAKCXHOML-NTSWFWBYSA-N 1 0 224.268 -1.308 20 0 BAADRO Nc1nc(NC[C@H]2CCC[C@@H]2O)nc(N)[nH+]1 ZINC000624002837 371238968 /nfs/dbraw/zinc/23/89/68/371238968.db2.gz HCZDBTAKCXHOML-RITPCOANSA-N 1 0 224.268 -1.308 20 0 BAADRO Nc1nc(NCc2nnnn2C2CC2)nc(N)[nH+]1 ZINC000624004590 371242142 /nfs/dbraw/zinc/24/21/42/371242142.db2.gz MCEFHMBDLSWQCO-UHFFFAOYSA-N 1 0 248.254 -1.948 20 0 BAADRO CCc1nncn1CCNc1nc(N)[nH+]c(N)n1 ZINC000624005201 371243467 /nfs/dbraw/zinc/24/34/67/371243467.db2.gz JPPQWWLWRVRUEA-UHFFFAOYSA-N 1 0 249.282 -1.615 20 0 BAADRO C[C@H](CCO)CNc1nc(N)[nH+]c(N)n1 ZINC000624005898 371243085 /nfs/dbraw/zinc/24/30/85/371243085.db2.gz FWULFHAEMLGFHT-RXMQYKEDSA-N 1 0 212.257 -1.451 20 0 BAADRO C[C@@H](CCO)CNc1nc(N)[nH+]c(N)n1 ZINC000624005899 371243628 /nfs/dbraw/zinc/24/36/28/371243628.db2.gz FWULFHAEMLGFHT-YFKPBYRVSA-N 1 0 212.257 -1.451 20 0 BAADRO CCN(CCCO)c1nc(N)[nH+]c(N)n1 ZINC000624005946 371243165 /nfs/dbraw/zinc/24/31/65/371243165.db2.gz HBKBBMAVCSIBOT-UHFFFAOYSA-N 1 0 212.257 -1.095 20 0 BAADRO CC(C)(CCO)CNc1nc(N)[nH+]c(N)n1 ZINC000624007784 371244534 /nfs/dbraw/zinc/24/45/34/371244534.db2.gz FIFNLBFUUGQMMY-UHFFFAOYSA-N 1 0 226.284 -1.061 20 0 BAADRO CCN(CC(=O)N(C)C)c1nc(N)[nH+]c(N)n1 ZINC000624015849 371250445 /nfs/dbraw/zinc/25/04/45/371250445.db2.gz HJYNKPADQAHQSI-UHFFFAOYSA-N 1 0 239.283 -1.389 20 0 BAADRO Nc1nc(NCC2(CO)CC2)nc(N)[nH+]1 ZINC000624016103 371250491 /nfs/dbraw/zinc/25/04/91/371250491.db2.gz NTENJWJYZCMHGX-UHFFFAOYSA-N 1 0 210.241 -1.697 20 0 BAADRO COCCN(CCO)c1nc(N)[nH+]c(N)n1 ZINC000624016241 371250382 /nfs/dbraw/zinc/25/03/82/371250382.db2.gz RSFQMMVOSCCMEJ-UHFFFAOYSA-N 1 0 228.256 -1.858 20 0 BAADRO Nc1nc(NC[C@]2(O)CCSC2)nc(N)[nH+]1 ZINC000624017308 347098773 /nfs/dbraw/zinc/09/87/73/347098773.db2.gz WITAIDGOHCINNV-MRVPVSSYSA-N 1 0 242.308 -1.601 20 0 BAADRO Nc1nc(NC[C@@]2(O)CCSC2)nc(N)[nH+]1 ZINC000624017309 347098906 /nfs/dbraw/zinc/09/89/06/347098906.db2.gz WITAIDGOHCINNV-QMMMGPOBSA-N 1 0 242.308 -1.601 20 0 BAADRO CNC(=O)[C@H](C)CN(C)c1nc(N)[nH+]c(N)n1 ZINC000624017558 371251150 /nfs/dbraw/zinc/25/11/50/371251150.db2.gz AEBTWDIXFHLCHT-RXMQYKEDSA-N 1 0 239.283 -1.485 20 0 BAADRO CNC(=O)[C@@H](C)CN(C)c1nc(N)[nH+]c(N)n1 ZINC000624017559 371251901 /nfs/dbraw/zinc/25/19/01/371251901.db2.gz AEBTWDIXFHLCHT-YFKPBYRVSA-N 1 0 239.283 -1.485 20 0 BAADRO Nc1nc(N[C@@H]2C=C[C@H](CO)C2)nc(N)[nH+]1 ZINC000624017816 371251978 /nfs/dbraw/zinc/25/19/78/371251978.db2.gz FVMSAYPZIXTXSD-NTSWFWBYSA-N 1 0 222.252 -1.532 20 0 BAADRO Nc1nc(N2CCN(C3CC3)C(=O)C2)nc(N)[nH+]1 ZINC000624020043 347195284 /nfs/dbraw/zinc/19/52/84/347195284.db2.gz HELOHJNZYBFGLW-UHFFFAOYSA-N 1 0 249.278 -1.492 20 0 BAADRO CN1CCC[C@@H](Nc2nc(N)[nH+]c(N)n2)C1=O ZINC000624020218 371252974 /nfs/dbraw/zinc/25/29/74/371252974.db2.gz JXOUMYFULPHYAI-RXMQYKEDSA-N 1 0 237.267 -1.849 20 0 BAADRO CN1CCC[C@H](Nc2nc(N)[nH+]c(N)n2)C1=O ZINC000624020219 371254030 /nfs/dbraw/zinc/25/40/30/371254030.db2.gz JXOUMYFULPHYAI-YFKPBYRVSA-N 1 0 237.267 -1.849 20 0 BAADRO C[C@@]1(O)CCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000624020274 371253872 /nfs/dbraw/zinc/25/38/72/371253872.db2.gz LCKLXSNQXVVEKE-MRVPVSSYSA-N 1 0 210.241 -1.342 20 0 BAADRO C[C@]1(O)CCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000624020275 371252838 /nfs/dbraw/zinc/25/28/38/371252838.db2.gz LCKLXSNQXVVEKE-QMMMGPOBSA-N 1 0 210.241 -1.342 20 0 BAADRO Nc1nc(N[C@@H]2CC(=O)N(C3CC3)C2)nc(N)[nH+]1 ZINC000624020731 371253762 /nfs/dbraw/zinc/25/37/62/371253762.db2.gz VJNVWZFUAISVEO-RXMQYKEDSA-N 1 0 249.278 -1.706 20 0 BAADRO Nc1nc(N[C@H]2CC(=O)N(C3CC3)C2)nc(N)[nH+]1 ZINC000624020732 371253016 /nfs/dbraw/zinc/25/30/16/371253016.db2.gz VJNVWZFUAISVEO-YFKPBYRVSA-N 1 0 249.278 -1.706 20 0 BAADRO CO[C@H]1CCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000624021006 371254132 /nfs/dbraw/zinc/25/41/32/371254132.db2.gz BKCVSAKSTXYEST-YFKPBYRVSA-N 1 0 210.241 -1.078 20 0 BAADRO CCNC(=O)C1CN(c2nc(N)[nH+]c(N)n2)C1 ZINC000624022251 371254878 /nfs/dbraw/zinc/25/48/78/371254878.db2.gz IBTFCUBJMKVQKP-UHFFFAOYSA-N 1 0 237.267 -1.731 20 0 BAADRO CC[C@@H]1C(=O)NCCN1c1nc(N)[nH+]c(N)n1 ZINC000624022801 371255376 /nfs/dbraw/zinc/25/53/76/371255376.db2.gz AWXNBVNOCMCLOM-RXMQYKEDSA-N 1 0 237.267 -1.588 20 0 BAADRO CC[C@H]1C(=O)NCCN1c1nc(N)[nH+]c(N)n1 ZINC000624022802 371254917 /nfs/dbraw/zinc/25/49/17/371254917.db2.gz AWXNBVNOCMCLOM-YFKPBYRVSA-N 1 0 237.267 -1.588 20 0 BAADRO C[C@H]1C(=O)NCCN1c1nc(N)[nH+]c(N)n1 ZINC000624023331 371256298 /nfs/dbraw/zinc/25/62/98/371256298.db2.gz WHUNIYFHAXTOPF-BYPYZUCNSA-N 1 0 223.240 -1.979 20 0 BAADRO C[C@@H]1C(=O)NCCN1c1nc(N)[nH+]c(N)n1 ZINC000624023332 371255887 /nfs/dbraw/zinc/25/58/87/371255887.db2.gz WHUNIYFHAXTOPF-SCSAIBSYSA-N 1 0 223.240 -1.979 20 0 BAADRO CC(C)[C@@H](CO)Nc1nc(N)[nH+]c(N)n1 ZINC000624024934 371256952 /nfs/dbraw/zinc/25/69/52/371256952.db2.gz DNGLDUUNLXTTMQ-RXMQYKEDSA-N 1 0 212.257 -1.453 20 0 BAADRO CNC(=O)[C@@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000624025156 371257160 /nfs/dbraw/zinc/25/71/60/371257160.db2.gz PAITYGKGJUBFMK-GSVOUGTGSA-N 1 0 211.229 -2.335 20 0 BAADRO CN(C[C@H](O)C1CC1)c1nc(N)[nH+]c(N)n1 ZINC000624025188 371256495 /nfs/dbraw/zinc/25/64/95/371256495.db2.gz QRFZFNRCIGQGLK-LURJTMIESA-N 1 0 224.268 -1.096 20 0 BAADRO CN(C[C@@H](O)C1CC1)c1nc(N)[nH+]c(N)n1 ZINC000624025189 371257110 /nfs/dbraw/zinc/25/71/10/371257110.db2.gz QRFZFNRCIGQGLK-ZCFIWIBFSA-N 1 0 224.268 -1.096 20 0 BAADRO C[C@@H](Nc1nc(N)[nH+]c(N)n1)C(=O)N(C)C ZINC000624025308 371257089 /nfs/dbraw/zinc/25/70/89/371257089.db2.gz WCCFHLKKKFFVLL-SCSAIBSYSA-N 1 0 225.256 -1.993 20 0 BAADRO CC(C)N(CCO)c1nc(N)[nH+]c(N)n1 ZINC000624027281 348009814 /nfs/dbraw/zinc/00/98/14/348009814.db2.gz NRISVRCJUZZIOU-UHFFFAOYSA-N 1 0 212.257 -1.096 20 0 BAADRO Nc1nc(N(CCO)C2CC2)nc(N)[nH+]1 ZINC000624027362 371258033 /nfs/dbraw/zinc/25/80/33/371258033.db2.gz QTXQMLMYRXYPCC-UHFFFAOYSA-N 1 0 210.241 -1.342 20 0 BAADRO COCCOC1CN(c2nc(N)[nH+]c(N)n2)C1 ZINC000624027881 371259689 /nfs/dbraw/zinc/25/96/89/371259689.db2.gz FDWDRYOCUMQGQL-UHFFFAOYSA-N 1 0 240.267 -1.452 20 0 BAADRO CC[C@@H](CCO)CNc1nc(N)[nH+]c(N)n1 ZINC000624029169 371259837 /nfs/dbraw/zinc/25/98/37/371259837.db2.gz KAAVMIKNVMLJRQ-LURJTMIESA-N 1 0 226.284 -1.061 20 0 BAADRO CC[C@H](CCO)CNc1nc(N)[nH+]c(N)n1 ZINC000624029170 371259638 /nfs/dbraw/zinc/25/96/38/371259638.db2.gz KAAVMIKNVMLJRQ-ZCFIWIBFSA-N 1 0 226.284 -1.061 20 0 BAADRO C[C@H](CCCO)Nc1nc(N)[nH+]c(N)n1 ZINC000624031072 371260181 /nfs/dbraw/zinc/26/01/81/371260181.db2.gz TYNVYTSHLMGSQS-RXMQYKEDSA-N 1 0 212.257 -1.308 20 0 BAADRO C[C@@H](CCCO)Nc1nc(N)[nH+]c(N)n1 ZINC000624031073 371260279 /nfs/dbraw/zinc/26/02/79/371260279.db2.gz TYNVYTSHLMGSQS-YFKPBYRVSA-N 1 0 212.257 -1.308 20 0 BAADRO Nc1nc(N[C@H]2CCc3c[nH]nc3C2)nc(N)[nH+]1 ZINC000624034515 371262841 /nfs/dbraw/zinc/26/28/41/371262841.db2.gz SGQPDKCZJDHCEI-LURJTMIESA-N 1 0 246.278 -1.189 20 0 BAADRO Nc1nc(N[C@@H]2CCc3c[nH]nc3C2)nc(N)[nH+]1 ZINC000624034516 371261963 /nfs/dbraw/zinc/26/19/63/371261963.db2.gz SGQPDKCZJDHCEI-ZCFIWIBFSA-N 1 0 246.278 -1.189 20 0 BAADRO Nc1nc(NCCn2ncnn2)nc(N)[nH+]1 ZINC000624036685 371265108 /nfs/dbraw/zinc/26/51/08/371265108.db2.gz ZBBUCIWRYNUBLL-UHFFFAOYSA-N 1 0 222.216 -2.783 20 0 BAADRO CC[C@@H](O)CCNc1nc(N)[nH+]c(N)n1 ZINC000624039778 371267237 /nfs/dbraw/zinc/26/72/37/371267237.db2.gz ZOIYFRUPKBQOPK-RXMQYKEDSA-N 1 0 212.257 -1.308 20 0 BAADRO CC[C@H](O)CCNc1nc(N)[nH+]c(N)n1 ZINC000624039779 371267769 /nfs/dbraw/zinc/26/77/69/371267769.db2.gz ZOIYFRUPKBQOPK-YFKPBYRVSA-N 1 0 212.257 -1.308 20 0 BAADRO CC(C)[C@@H](Nc1nc(N)[nH+]c(N)n1)C(N)=O ZINC000624040229 371268031 /nfs/dbraw/zinc/26/80/31/371268031.db2.gz MBJYBEAHKOLPJL-SCSAIBSYSA-N 1 0 225.256 -1.960 20 0 BAADRO C[C@H]1CO[C@@H](CO)CN1c1nc(N)[nH+]c(N)n1 ZINC000624040279 371267211 /nfs/dbraw/zinc/26/72/11/371267211.db2.gz NUQBRXQLTBJJSZ-NTSWFWBYSA-N 1 0 240.267 -1.717 20 0 BAADRO C[C@@H]1CO[C@@H](CO)CN1c1nc(N)[nH+]c(N)n1 ZINC000624040280 371267458 /nfs/dbraw/zinc/26/74/58/371267458.db2.gz NUQBRXQLTBJJSZ-PHDIDXHHSA-N 1 0 240.267 -1.717 20 0 BAADRO C[C@@H]1CO[C@H](CO)CN1c1nc(N)[nH+]c(N)n1 ZINC000624040281 371268022 /nfs/dbraw/zinc/26/80/22/371268022.db2.gz NUQBRXQLTBJJSZ-RITPCOANSA-N 1 0 240.267 -1.717 20 0 BAADRO C[C@H]1CO[C@H](CO)CN1c1nc(N)[nH+]c(N)n1 ZINC000624040282 371267262 /nfs/dbraw/zinc/26/72/62/371267262.db2.gz NUQBRXQLTBJJSZ-WDSKDSINSA-N 1 0 240.267 -1.717 20 0 BAADRO CN(CC(C)(CO)CO)c1nc(N)[nH+]c(N)n1 ZINC000624051013 371277639 /nfs/dbraw/zinc/27/76/39/371277639.db2.gz PJIXEFIMDDHLSZ-UHFFFAOYSA-N 1 0 242.283 -1.876 20 0 BAADRO CCCCN(CC(N)=O)c1nc(N)[nH+]c(N)n1 ZINC000624052274 371278950 /nfs/dbraw/zinc/27/89/50/371278950.db2.gz ADVRGYBBPONKDN-UHFFFAOYSA-N 1 0 239.283 -1.211 20 0 BAADRO CC(C)CN(CC(N)=O)c1nc(N)[nH+]c(N)n1 ZINC000624052591 343571788 /nfs/dbraw/zinc/57/17/88/343571788.db2.gz JJIZCSQPLAALMC-UHFFFAOYSA-N 1 0 239.283 -1.356 20 0 BAADRO CC(C)(CO)CNc1nc(N)[nH+]c(N)n1 ZINC000624053678 371279620 /nfs/dbraw/zinc/27/96/20/371279620.db2.gz MAIVDZRLJZDCJS-UHFFFAOYSA-N 1 0 212.257 -1.451 20 0 BAADRO CNC(=O)[C@@H](Nc1nc(N)[nH+]c(N)n1)C(C)C ZINC000624054871 371280321 /nfs/dbraw/zinc/28/03/21/371280321.db2.gz PNRCVUCAMZPZHV-YFKPBYRVSA-N 1 0 239.283 -1.699 20 0 BAADRO CNC(=O)C(C)(C)CNc1nc(N)[nH+]c(N)n1 ZINC000624055729 371282175 /nfs/dbraw/zinc/28/21/75/371282175.db2.gz NTOZFUJBHYWFPQ-UHFFFAOYSA-N 1 0 239.283 -1.697 20 0 BAADRO Nc1nc(N2CCc3c[nH]nc3C2)nc(N)[nH+]1 ZINC000624057466 371282888 /nfs/dbraw/zinc/28/28/88/371282888.db2.gz LMDFSMOKDDOWHR-UHFFFAOYSA-N 1 0 232.251 -1.017 20 0 BAADRO COC[C@H](Nc1nc(N)[nH+]c(N)n1)C1CC1 ZINC000624057684 371283012 /nfs/dbraw/zinc/28/30/12/371283012.db2.gz UNRRIWUUEUJXRL-LURJTMIESA-N 1 0 224.268 -1.044 20 0 BAADRO COC[C@@H](Nc1nc(N)[nH+]c(N)n1)C1CC1 ZINC000624057685 371283465 /nfs/dbraw/zinc/28/34/65/371283465.db2.gz UNRRIWUUEUJXRL-ZCFIWIBFSA-N 1 0 224.268 -1.044 20 0 BAADRO Nc1nc(NCCN2CCC2)nc(N)[nH+]1 ZINC000624058333 371283303 /nfs/dbraw/zinc/28/33/03/371283303.db2.gz RLUNUAKXNKHZNK-UHFFFAOYSA-N 1 0 209.257 -1.764 20 0 BAADRO CNC(=O)CCCN(C)c1nc(N)[nH+]c(N)n1 ZINC000624060814 371285499 /nfs/dbraw/zinc/28/54/99/371285499.db2.gz IBKGCGKZAIUKQV-UHFFFAOYSA-N 1 0 239.283 -1.341 20 0 BAADRO Nc1nc(N[C@H]2CC[C@H](O)CC2)nc(N)[nH+]1 ZINC000624061235 371286588 /nfs/dbraw/zinc/28/65/88/371286588.db2.gz YTQABXIBDBXTBU-IZLXSQMJSA-N 1 0 224.268 -1.166 20 0 BAADRO Nc1nc(N[C@H](CO)CC2CC2)nc(N)[nH+]1 ZINC000624061926 371286137 /nfs/dbraw/zinc/28/61/37/371286137.db2.gz OAZIEAYGQFYNRH-LURJTMIESA-N 1 0 224.268 -1.308 20 0 BAADRO Nc1nc(N[C@@H](CO)CC2CC2)nc(N)[nH+]1 ZINC000624061927 371285721 /nfs/dbraw/zinc/28/57/21/371285721.db2.gz OAZIEAYGQFYNRH-ZCFIWIBFSA-N 1 0 224.268 -1.308 20 0 BAADRO C[C@@H](CNc1nc(N)[nH+]c(N)n1)S(C)(=O)=O ZINC000624062084 371286485 /nfs/dbraw/zinc/28/64/85/371286485.db2.gz TVBDLJYMBUVHNE-BYPYZUCNSA-N 1 0 246.296 -2.036 20 0 BAADRO C[C@H](CNc1nc(N)[nH+]c(N)n1)S(C)(=O)=O ZINC000624062085 371286081 /nfs/dbraw/zinc/28/60/81/371286081.db2.gz TVBDLJYMBUVHNE-SCSAIBSYSA-N 1 0 246.296 -2.036 20 0 BAADRO Nc1nc(NC[C@]2(O)CCOC2)nc(N)[nH+]1 ZINC000624063480 371286990 /nfs/dbraw/zinc/28/69/90/371286990.db2.gz PSTBOXVMBANAET-MRVPVSSYSA-N 1 0 226.240 -2.318 20 0 BAADRO Nc1nc(NC[C@@]2(O)CCOC2)nc(N)[nH+]1 ZINC000624063481 371287323 /nfs/dbraw/zinc/28/73/23/371287323.db2.gz PSTBOXVMBANAET-QMMMGPOBSA-N 1 0 226.240 -2.318 20 0 BAADRO Cc1c(CNc2nc(N)[nH+]c(N)n2)cnn1C ZINC000624067296 371288995 /nfs/dbraw/zinc/28/89/95/371288995.db2.gz PFSPMLXMRBAUNL-UHFFFAOYSA-N 1 0 234.267 -1.227 20 0 BAADRO C[C@H](CO)CCCNc1nc(N)[nH+]c(N)n1 ZINC000624068044 371288702 /nfs/dbraw/zinc/28/87/02/371288702.db2.gz JNJJQFJEEGEIMN-LURJTMIESA-N 1 0 226.284 -1.061 20 0 BAADRO C[C@@H](CO)CCCNc1nc(N)[nH+]c(N)n1 ZINC000624068045 371288521 /nfs/dbraw/zinc/28/85/21/371288521.db2.gz JNJJQFJEEGEIMN-ZCFIWIBFSA-N 1 0 226.284 -1.061 20 0 BAADRO CC[C@H]1CN(c2nc(N)[nH+]c(N)n2)C[C@H]1O ZINC000624071122 371291107 /nfs/dbraw/zinc/29/11/07/371291107.db2.gz XGFFFHLHKJSNCT-NTSWFWBYSA-N 1 0 224.268 -1.096 20 0 BAADRO CC[C@@H]1CN(c2nc(N)[nH+]c(N)n2)C[C@H]1O ZINC000624071123 371291375 /nfs/dbraw/zinc/29/13/75/371291375.db2.gz XGFFFHLHKJSNCT-PHDIDXHHSA-N 1 0 224.268 -1.096 20 0 BAADRO CC[C@@H]1CN(c2nc(N)[nH+]c(N)n2)C[C@@H]1O ZINC000624071124 371291029 /nfs/dbraw/zinc/29/10/29/371291029.db2.gz XGFFFHLHKJSNCT-RITPCOANSA-N 1 0 224.268 -1.096 20 0 BAADRO CC[C@H]1CN(c2nc(N)[nH+]c(N)n2)C[C@@H]1O ZINC000624071125 371291080 /nfs/dbraw/zinc/29/10/80/371291080.db2.gz XGFFFHLHKJSNCT-WDSKDSINSA-N 1 0 224.268 -1.096 20 0 BAADRO Nc1nc(NCc2noc(C3CC3)n2)nc(N)[nH+]1 ZINC000624073887 371292511 /nfs/dbraw/zinc/29/25/11/371292511.db2.gz IPYXZPQWHVWNOZ-UHFFFAOYSA-N 1 0 248.250 -1.009 20 0 BAADRO COC[C@H](O)CCNc1nc(N)[nH+]c(N)n1 ZINC000624075463 344470643 /nfs/dbraw/zinc/47/06/43/344470643.db2.gz FRJAOGFOASZNPG-RXMQYKEDSA-N 1 0 228.256 -2.072 20 0 BAADRO COC[C@@H](O)CCNc1nc(N)[nH+]c(N)n1 ZINC000624075464 344470656 /nfs/dbraw/zinc/47/06/56/344470656.db2.gz FRJAOGFOASZNPG-YFKPBYRVSA-N 1 0 228.256 -2.072 20 0 BAADRO Nc1nc(N2CCSC[C@H]2CO)nc(N)[nH+]1 ZINC000624075577 371293643 /nfs/dbraw/zinc/29/36/43/371293643.db2.gz MAZLTZXKJBOAJD-RXMQYKEDSA-N 1 0 242.308 -1.389 20 0 BAADRO Nc1nc(N2CCSC[C@@H]2CO)nc(N)[nH+]1 ZINC000624075578 371293975 /nfs/dbraw/zinc/29/39/75/371293975.db2.gz MAZLTZXKJBOAJD-YFKPBYRVSA-N 1 0 242.308 -1.389 20 0 BAADRO C[C@H]1CN(c2nc(N)[nH+]c(N)n2)C[C@H]1O ZINC000624078327 371294648 /nfs/dbraw/zinc/29/46/48/371294648.db2.gz CVJZJJYPICQSAO-CRCLSJGQSA-N 1 0 210.241 -1.486 20 0 BAADRO C[C@@H]1CN(c2nc(N)[nH+]c(N)n2)C[C@H]1O ZINC000624078328 371296207 /nfs/dbraw/zinc/29/62/07/371296207.db2.gz CVJZJJYPICQSAO-RFZPGFLSSA-N 1 0 210.241 -1.486 20 0 BAADRO C[C@@H]1CN(c2nc(N)[nH+]c(N)n2)C[C@@H]1O ZINC000624078329 371296121 /nfs/dbraw/zinc/29/61/21/371296121.db2.gz CVJZJJYPICQSAO-UHNVWZDZSA-N 1 0 210.241 -1.486 20 0 BAADRO C[C@H]1CN(c2nc(N)[nH+]c(N)n2)C[C@@H]1O ZINC000624078330 371295468 /nfs/dbraw/zinc/29/54/68/371295468.db2.gz CVJZJJYPICQSAO-WHFBIAKZSA-N 1 0 210.241 -1.486 20 0 BAADRO CN(C)C(=O)NCCNc1nc(N)[nH+]c(N)n1 ZINC000624079625 371295572 /nfs/dbraw/zinc/29/55/72/371295572.db2.gz QQRUYLYUQVBHPK-UHFFFAOYSA-N 1 0 240.271 -2.198 20 0 BAADRO Cn1nnnc1CCNc1nc(N)[nH+]c(N)n1 ZINC000624082805 371297805 /nfs/dbraw/zinc/29/78/05/371297805.db2.gz NJNOTQOTFFDASV-UHFFFAOYSA-N 1 0 236.243 -2.703 20 0 BAADRO Nc1nc(N[C@H]2CNC(=O)C2)nc(N)[nH+]1 ZINC000624088542 371298793 /nfs/dbraw/zinc/29/87/93/371298793.db2.gz LOVDIMVFFWHTGB-GSVOUGTGSA-N 1 0 209.213 -2.581 20 0 BAADRO Nc1nc(N[C@@H]2CNC(=O)C2)nc(N)[nH+]1 ZINC000624088543 371300446 /nfs/dbraw/zinc/30/04/46/371300446.db2.gz LOVDIMVFFWHTGB-VKHMYHEASA-N 1 0 209.213 -2.581 20 0 BAADRO Nc1nc(NCC(=O)NCC2CC2)nc(N)[nH+]1 ZINC000624089076 371300412 /nfs/dbraw/zinc/30/04/12/371300412.db2.gz BNRCJXFUHBMOMA-UHFFFAOYSA-N 1 0 237.267 -1.943 20 0 BAADRO Nc1nc(NCCCOCCO)nc(N)[nH+]1 ZINC000624092262 371302387 /nfs/dbraw/zinc/30/23/87/371302387.db2.gz GDBYLVTYZSNLIQ-UHFFFAOYSA-N 1 0 228.256 -2.070 20 0 BAADRO COC[C@@H](CNc1nc(N)[nH+]c(N)n1)OC ZINC000624092593 371301515 /nfs/dbraw/zinc/30/15/15/371301515.db2.gz UQIRRVLOEYRNHT-RXMQYKEDSA-N 1 0 228.256 -1.808 20 0 BAADRO COC[C@H](CNc1nc(N)[nH+]c(N)n1)OC ZINC000624092594 371302138 /nfs/dbraw/zinc/30/21/38/371302138.db2.gz UQIRRVLOEYRNHT-YFKPBYRVSA-N 1 0 228.256 -1.808 20 0 BAADRO Cc1nnc(CNc2nc(N)[nH+]c(N)n2)s1 ZINC000624092615 371301890 /nfs/dbraw/zinc/30/18/90/371301890.db2.gz VIHPYYHPQAIRMQ-UHFFFAOYSA-N 1 0 238.280 -1.109 20 0 BAADRO CCN(Cc1cn(C)nn1)c1nc(N)[nH+]c(N)n1 ZINC000624093664 344512499 /nfs/dbraw/zinc/51/24/99/344512499.db2.gz BUNWAXUVFFDUOT-UHFFFAOYSA-N 1 0 249.282 -1.148 20 0 BAADRO Nc1nc(NCCn2ccnn2)nc(N)[nH+]1 ZINC000624094448 371303550 /nfs/dbraw/zinc/30/35/50/371303550.db2.gz FTCFRXHHKUVLQG-UHFFFAOYSA-N 1 0 221.228 -2.178 20 0 BAADRO C[C@@H](O)C[C@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000624095511 371304896 /nfs/dbraw/zinc/30/48/96/371304896.db2.gz FMRVNUNATKRHBF-CRCLSJGQSA-N 1 0 212.257 -1.310 20 0 BAADRO C[C@@H](O)C[C@@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000624095512 371305119 /nfs/dbraw/zinc/30/51/19/371305119.db2.gz FMRVNUNATKRHBF-RFZPGFLSSA-N 1 0 212.257 -1.310 20 0 BAADRO C[C@H](C[C@H](C)O)Nc1nc(N)[nH+]c(N)n1 ZINC000624095513 371304602 /nfs/dbraw/zinc/30/46/02/371304602.db2.gz FMRVNUNATKRHBF-UHNVWZDZSA-N 1 0 212.257 -1.310 20 0 BAADRO C[C@H](O)C[C@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000624095514 371304494 /nfs/dbraw/zinc/30/44/94/371304494.db2.gz FMRVNUNATKRHBF-WHFBIAKZSA-N 1 0 212.257 -1.310 20 0 BAADRO Cc1nn(C)cc1CNc1nc(N)[nH+]c(N)n1 ZINC000624095995 371304758 /nfs/dbraw/zinc/30/47/58/371304758.db2.gz QAEVQLLDKKSJKU-UHFFFAOYSA-N 1 0 234.267 -1.227 20 0 BAADRO Nc1nc(NCCCn2ccnn2)nc(N)[nH+]1 ZINC000624098008 371304335 /nfs/dbraw/zinc/30/43/35/371304335.db2.gz LOWZRVDJVSSPAH-UHFFFAOYSA-N 1 0 235.255 -1.788 20 0 BAADRO Nc1nc(NCC[C@H]2CCOC2)nc(N)[nH+]1 ZINC000624098929 371305304 /nfs/dbraw/zinc/30/53/04/371305304.db2.gz YRUTWUBUURDXNZ-LURJTMIESA-N 1 0 224.268 -1.043 20 0 BAADRO Nc1nc(NCC[C@@H]2CCOC2)nc(N)[nH+]1 ZINC000624098930 371304382 /nfs/dbraw/zinc/30/43/82/371304382.db2.gz YRUTWUBUURDXNZ-ZCFIWIBFSA-N 1 0 224.268 -1.043 20 0 BAADRO Nc1nc(NCC2(CO)CCC2)nc(N)[nH+]1 ZINC000624099655 371306575 /nfs/dbraw/zinc/30/65/75/371306575.db2.gz YZHYJQJRSNPYBC-UHFFFAOYSA-N 1 0 224.268 -1.307 20 0 BAADRO CCN1CCN(c2nc(N)[nH+]c(N)n2)CC1=O ZINC000624100821 344538519 /nfs/dbraw/zinc/53/85/19/344538519.db2.gz LREGJRJEKCENJT-UHFFFAOYSA-N 1 0 237.267 -1.635 20 0 BAADRO CC(C)OCCNc1nc(N)[nH+]c(N)n1 ZINC000624100843 371306251 /nfs/dbraw/zinc/30/62/51/371306251.db2.gz MVZVPRLKPXAZNI-UHFFFAOYSA-N 1 0 212.257 -1.044 20 0 BAADRO CN(c1nc(N)[nH+]c(N)n1)C1CC(O)C1 ZINC000624101170 371305977 /nfs/dbraw/zinc/30/59/77/371305977.db2.gz ODIXMNHSCCJHDC-UHFFFAOYSA-N 1 0 210.241 -1.344 20 0 BAADRO Cn1ccc(CCNc2nc(N)[nH+]c(N)n2)n1 ZINC000624102239 371307383 /nfs/dbraw/zinc/30/73/83/371307383.db2.gz POABMDSRQHKPKL-UHFFFAOYSA-N 1 0 234.267 -1.493 20 0 BAADRO CO[C@@]1(CNc2nc(N)[nH+]c(N)n2)CCOC1 ZINC000624104228 371309418 /nfs/dbraw/zinc/30/94/18/371309418.db2.gz DTFGSRWQDPCDLC-SECBINFHSA-N 1 0 240.267 -1.664 20 0 BAADRO CO[C@]1(CNc2nc(N)[nH+]c(N)n2)CCOC1 ZINC000624104229 371309607 /nfs/dbraw/zinc/30/96/07/371309607.db2.gz DTFGSRWQDPCDLC-VIFPVBQESA-N 1 0 240.267 -1.664 20 0 BAADRO Nc1nc(NCC(F)(F)CO)nc(N)[nH+]1 ZINC000624106889 371312663 /nfs/dbraw/zinc/31/26/63/371312663.db2.gz SOWKGAUMGJKAEK-UHFFFAOYSA-N 1 0 220.183 -1.842 20 0 BAADRO CNC(=O)C1CN(c2nc(N)[nH+]c(N)n2)C1 ZINC000624106922 371309698 /nfs/dbraw/zinc/30/96/98/371309698.db2.gz UJLIEYWPOQPDEW-UHFFFAOYSA-N 1 0 223.240 -2.121 20 0 BAADRO C/C=C\C[C@@H](CO)Nc1nc(N)[nH+]c(N)n1 ZINC000624108657 371311685 /nfs/dbraw/zinc/31/16/85/371311685.db2.gz AGIHIROFGLSTLV-GFNSNHMOSA-N 1 0 224.268 -1.142 20 0 BAADRO C/C=C/C[C@@H](CO)Nc1nc(N)[nH+]c(N)n1 ZINC000624108658 371312162 /nfs/dbraw/zinc/31/21/62/371312162.db2.gz AGIHIROFGLSTLV-SZKDQXIBSA-N 1 0 224.268 -1.142 20 0 BAADRO C/C=C\C[C@H](CO)Nc1nc(N)[nH+]c(N)n1 ZINC000624108659 371312142 /nfs/dbraw/zinc/31/21/42/371312142.db2.gz AGIHIROFGLSTLV-VROIDLATSA-N 1 0 224.268 -1.142 20 0 BAADRO C/C=C/C[C@H](CO)Nc1nc(N)[nH+]c(N)n1 ZINC000624108660 371312506 /nfs/dbraw/zinc/31/25/06/371312506.db2.gz AGIHIROFGLSTLV-YRFDSLTASA-N 1 0 224.268 -1.142 20 0 BAADRO CN1C(=O)CN(c2nc(N)[nH+]c(N)n2)CC1=O ZINC000624112461 371316639 /nfs/dbraw/zinc/31/66/39/371316639.db2.gz YFUQNUMJAVKOCS-UHFFFAOYSA-N 1 0 237.223 -2.498 20 0 BAADRO CCN(C)C(=O)CNc1nc(N)[nH+]c(N)n1 ZINC000624113028 371316397 /nfs/dbraw/zinc/31/63/97/371316397.db2.gz UESMDJVMIBHUNL-UHFFFAOYSA-N 1 0 225.256 -1.991 20 0 BAADRO CC(C)(O)CCNc1nc(N)[nH+]c(N)n1 ZINC000624114339 371317601 /nfs/dbraw/zinc/31/76/01/371317601.db2.gz YARWAPUZFYGPMZ-UHFFFAOYSA-N 1 0 212.257 -1.308 20 0 BAADRO CCC1(O)CN(c2nc(N)[nH+]c(N)n2)C1 ZINC000624117071 371318102 /nfs/dbraw/zinc/31/81/02/371318102.db2.gz GDNUJIZPIWTSLC-UHFFFAOYSA-N 1 0 210.241 -1.342 20 0 BAADRO CC1(C)[C@H](O)C[C@@H]1Nc1nc(N)[nH+]c(N)n1 ZINC000624120606 371321142 /nfs/dbraw/zinc/32/11/42/371321142.db2.gz CGMQLEBNHUWNCB-CRCLSJGQSA-N 1 0 224.268 -1.310 20 0 BAADRO CC1(C)[C@H](O)C[C@H]1Nc1nc(N)[nH+]c(N)n1 ZINC000624120607 371318837 /nfs/dbraw/zinc/31/88/37/371318837.db2.gz CGMQLEBNHUWNCB-RFZPGFLSSA-N 1 0 224.268 -1.310 20 0 BAADRO CC1(C)[C@H](Nc2nc(N)[nH+]c(N)n2)C[C@@H]1O ZINC000624120608 371319993 /nfs/dbraw/zinc/31/99/93/371319993.db2.gz CGMQLEBNHUWNCB-UHNVWZDZSA-N 1 0 224.268 -1.310 20 0 BAADRO CC1(C)[C@@H](O)C[C@@H]1Nc1nc(N)[nH+]c(N)n1 ZINC000624120609 371320091 /nfs/dbraw/zinc/32/00/91/371320091.db2.gz CGMQLEBNHUWNCB-WHFBIAKZSA-N 1 0 224.268 -1.310 20 0 BAADRO CCOC[C@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000624120868 371318872 /nfs/dbraw/zinc/31/88/72/371318872.db2.gz IVEMCISCEVBMGZ-YFKPBYRVSA-N 1 0 212.257 -1.044 20 0 BAADRO C[C@@H]1C(=O)N(C)CCN1c1nc(N)[nH+]c(N)n1 ZINC000624121770 371321554 /nfs/dbraw/zinc/32/15/54/371321554.db2.gz CUJMIBNVMCWGGI-RXMQYKEDSA-N 1 0 237.267 -1.636 20 0 BAADRO C[C@H]1C(=O)N(C)CCN1c1nc(N)[nH+]c(N)n1 ZINC000624121771 371321428 /nfs/dbraw/zinc/32/14/28/371321428.db2.gz CUJMIBNVMCWGGI-YFKPBYRVSA-N 1 0 237.267 -1.636 20 0 BAADRO C[C@H]1CN(c2nc(N)[nH+]c(N)n2)CC[C@H]1O ZINC000624122389 371322649 /nfs/dbraw/zinc/32/26/49/371322649.db2.gz QBKBFIZGXLQVJN-NTSWFWBYSA-N 1 0 224.268 -1.096 20 0 BAADRO C[C@@H]1CN(c2nc(N)[nH+]c(N)n2)CC[C@H]1O ZINC000624122390 371323507 /nfs/dbraw/zinc/32/35/07/371323507.db2.gz QBKBFIZGXLQVJN-PHDIDXHHSA-N 1 0 224.268 -1.096 20 0 BAADRO C[C@@H]1CN(c2nc(N)[nH+]c(N)n2)CC[C@@H]1O ZINC000624122391 371323127 /nfs/dbraw/zinc/32/31/27/371323127.db2.gz QBKBFIZGXLQVJN-RITPCOANSA-N 1 0 224.268 -1.096 20 0 BAADRO C[C@H]1CN(c2nc(N)[nH+]c(N)n2)CC[C@@H]1O ZINC000624122392 371323163 /nfs/dbraw/zinc/32/31/63/371323163.db2.gz QBKBFIZGXLQVJN-WDSKDSINSA-N 1 0 224.268 -1.096 20 0 BAADRO Nc1nc(NCC2(CCO)CC2)nc(N)[nH+]1 ZINC000624124458 371325151 /nfs/dbraw/zinc/32/51/51/371325151.db2.gz CSPIJGFVSAMQOC-UHFFFAOYSA-N 1 0 224.268 -1.307 20 0 BAADRO Nc1nc(N2CC(F)(F)C[C@H]2CO)nc(N)[nH+]1 ZINC000624141961 371338706 /nfs/dbraw/zinc/33/87/06/371338706.db2.gz CXKBKRUYHHOBDC-BYPYZUCNSA-N 1 0 246.221 -1.097 20 0 BAADRO Nc1nc(N2CC(F)(F)C[C@@H]2CO)nc(N)[nH+]1 ZINC000624141962 371338332 /nfs/dbraw/zinc/33/83/32/371338332.db2.gz CXKBKRUYHHOBDC-SCSAIBSYSA-N 1 0 246.221 -1.097 20 0 BAADRO COCCCN(CCO)c1nc(N)[nH+]c(N)n1 ZINC000624144267 371339730 /nfs/dbraw/zinc/33/97/30/371339730.db2.gz LDOYSRKCBCVCHD-UHFFFAOYSA-N 1 0 242.283 -1.468 20 0 BAADRO CN(CC1(CO)CC1)c1nc(N)[nH+]c(N)n1 ZINC000624144915 371340334 /nfs/dbraw/zinc/34/03/34/371340334.db2.gz AZRSREJDAHKCTG-UHFFFAOYSA-N 1 0 224.268 -1.095 20 0 BAADRO CO[C@H]1CN(c2nc(N)[nH+]c(N)n2)CCO1 ZINC000624145876 371340661 /nfs/dbraw/zinc/34/06/61/371340661.db2.gz KKETVURFZXHZGA-RXMQYKEDSA-N 1 0 226.240 -1.494 20 0 BAADRO CO[C@@H]1CN(c2nc(N)[nH+]c(N)n2)CCO1 ZINC000624145877 371340199 /nfs/dbraw/zinc/34/01/99/371340199.db2.gz KKETVURFZXHZGA-YFKPBYRVSA-N 1 0 226.240 -1.494 20 0 BAADRO CNS(=O)(=O)CCNc1nc(N)[nH+]c(N)n1 ZINC000624145890 371340005 /nfs/dbraw/zinc/34/00/05/371340005.db2.gz KTUAMWZQNMRBGO-UHFFFAOYSA-N 1 0 247.284 -2.920 20 0 BAADRO C[C@H]1CCN(c2nc(N)[nH+]c(N)n2)[C@@H]1CO ZINC000624146252 397875711 /nfs/dbraw/zinc/87/57/11/397875711.db2.gz WZQNAMUXTCHLFE-NTSWFWBYSA-N 1 0 224.268 -1.096 20 0 BAADRO C[C@@H]1CCN(c2nc(N)[nH+]c(N)n2)[C@@H]1CO ZINC000624146253 384785776 /nfs/dbraw/zinc/78/57/76/384785776.db2.gz WZQNAMUXTCHLFE-PHDIDXHHSA-N 1 0 224.268 -1.096 20 0 BAADRO C[C@@H]1CCN(c2nc(N)[nH+]c(N)n2)[C@H]1CO ZINC000624146254 347219775 /nfs/dbraw/zinc/21/97/75/347219775.db2.gz WZQNAMUXTCHLFE-RITPCOANSA-N 1 0 224.268 -1.096 20 0 BAADRO C[C@H]1CCN(c2nc(N)[nH+]c(N)n2)[C@H]1CO ZINC000624146255 347219661 /nfs/dbraw/zinc/21/96/61/347219661.db2.gz WZQNAMUXTCHLFE-WDSKDSINSA-N 1 0 224.268 -1.096 20 0 BAADRO CN1CC[C@@H](Nc2nc(N)[nH+]c(N)n2)CC1=O ZINC000624146304 371340224 /nfs/dbraw/zinc/34/02/24/371340224.db2.gz YKJXEXBVZLOZHY-RXMQYKEDSA-N 1 0 237.267 -1.849 20 0 BAADRO CN1CC[C@H](Nc2nc(N)[nH+]c(N)n2)CC1=O ZINC000624146305 371340562 /nfs/dbraw/zinc/34/05/62/371340562.db2.gz YKJXEXBVZLOZHY-YFKPBYRVSA-N 1 0 237.267 -1.849 20 0 BAADRO CO[C@H](C)[C@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000624149283 371347300 /nfs/dbraw/zinc/34/73/00/371347300.db2.gz AMKCXLCMHQDCGL-CRCLSJGQSA-N 1 0 212.257 -1.046 20 0 BAADRO CO[C@@H](C)[C@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000624149284 371347601 /nfs/dbraw/zinc/34/76/01/371347601.db2.gz AMKCXLCMHQDCGL-WHFBIAKZSA-N 1 0 212.257 -1.046 20 0 BAADRO C[C@H]1CN(c2nc(N)[nH+]c(N)n2)C[C@H](CO)O1 ZINC000624150059 371346946 /nfs/dbraw/zinc/34/69/46/371346946.db2.gz NLRVUAHXCPTZMW-NTSWFWBYSA-N 1 0 240.267 -1.717 20 0 BAADRO C[C@@H]1CN(c2nc(N)[nH+]c(N)n2)C[C@H](CO)O1 ZINC000624150060 371347780 /nfs/dbraw/zinc/34/77/80/371347780.db2.gz NLRVUAHXCPTZMW-PHDIDXHHSA-N 1 0 240.267 -1.717 20 0 BAADRO C[C@@H]1CN(c2nc(N)[nH+]c(N)n2)C[C@@H](CO)O1 ZINC000624150061 371346918 /nfs/dbraw/zinc/34/69/18/371346918.db2.gz NLRVUAHXCPTZMW-RITPCOANSA-N 1 0 240.267 -1.717 20 0 BAADRO C[C@H]1CN(c2nc(N)[nH+]c(N)n2)C[C@@H](CO)O1 ZINC000624150062 371346876 /nfs/dbraw/zinc/34/68/76/371346876.db2.gz NLRVUAHXCPTZMW-WDSKDSINSA-N 1 0 240.267 -1.717 20 0 BAADRO Nc1nc(N2C[C@@H](O)CC(F)(F)C2)nc(N)[nH+]1 ZINC000624150396 371346890 /nfs/dbraw/zinc/34/68/90/371346890.db2.gz GVTCVAJLLYUUJS-BYPYZUCNSA-N 1 0 246.221 -1.097 20 0 BAADRO Nc1nc(N2C[C@H](O)CC(F)(F)C2)nc(N)[nH+]1 ZINC000624150397 371346978 /nfs/dbraw/zinc/34/69/78/371346978.db2.gz GVTCVAJLLYUUJS-SCSAIBSYSA-N 1 0 246.221 -1.097 20 0 BAADRO Nc1nc(NCCOCC(F)F)nc(N)[nH+]1 ZINC000624150497 371347019 /nfs/dbraw/zinc/34/70/19/371347019.db2.gz KYFNXGHIBZKPOY-UHFFFAOYSA-N 1 0 234.210 -1.188 20 0 BAADRO C[C@H]1C[C@@H](O)CN1c1nc(N)[nH+]c(N)n1 ZINC000624150988 371348303 /nfs/dbraw/zinc/34/83/03/371348303.db2.gz DJMRCSWSNMADJD-CRCLSJGQSA-N 1 0 210.241 -1.344 20 0 BAADRO C[C@@H]1C[C@@H](O)CN1c1nc(N)[nH+]c(N)n1 ZINC000624150989 371348764 /nfs/dbraw/zinc/34/87/64/371348764.db2.gz DJMRCSWSNMADJD-RFZPGFLSSA-N 1 0 210.241 -1.344 20 0 BAADRO C[C@@H]1C[C@H](O)CN1c1nc(N)[nH+]c(N)n1 ZINC000624150990 347327250 /nfs/dbraw/zinc/32/72/50/347327250.db2.gz DJMRCSWSNMADJD-UHNVWZDZSA-N 1 0 210.241 -1.344 20 0 BAADRO C[C@H]1C[C@H](O)CN1c1nc(N)[nH+]c(N)n1 ZINC000624150991 347327749 /nfs/dbraw/zinc/32/77/49/347327749.db2.gz DJMRCSWSNMADJD-WHFBIAKZSA-N 1 0 210.241 -1.344 20 0 BAADRO CN(CCCCO)c1nc(N)[nH+]c(N)n1 ZINC000624151369 371348663 /nfs/dbraw/zinc/34/86/63/371348663.db2.gz PDWTVFLOAPVDKY-UHFFFAOYSA-N 1 0 212.257 -1.095 20 0 BAADRO Nc1nc(NC[C@H]2CC[C@@H](O)C2)nc(N)[nH+]1 ZINC000624151810 371348533 /nfs/dbraw/zinc/34/85/33/371348533.db2.gz BNHBPSAJNMEEEX-NTSWFWBYSA-N 1 0 224.268 -1.308 20 0 BAADRO Nc1nc(NC[C@@H]2CC[C@@H](O)C2)nc(N)[nH+]1 ZINC000624151811 371348783 /nfs/dbraw/zinc/34/87/83/371348783.db2.gz BNHBPSAJNMEEEX-PHDIDXHHSA-N 1 0 224.268 -1.308 20 0 BAADRO Nc1nc(NC[C@@H]2CC[C@H](O)C2)nc(N)[nH+]1 ZINC000624151812 371348815 /nfs/dbraw/zinc/34/88/15/371348815.db2.gz BNHBPSAJNMEEEX-RITPCOANSA-N 1 0 224.268 -1.308 20 0 BAADRO Nc1nc(NC[C@H]2CC[C@H](O)C2)nc(N)[nH+]1 ZINC000624151813 371348634 /nfs/dbraw/zinc/34/86/34/371348634.db2.gz BNHBPSAJNMEEEX-WDSKDSINSA-N 1 0 224.268 -1.308 20 0 BAADRO CCN(C)C(=O)[C@@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000624151942 371348794 /nfs/dbraw/zinc/34/87/94/371348794.db2.gz GKPSXGAONLNKKO-RXMQYKEDSA-N 1 0 239.283 -1.603 20 0 BAADRO CCN(C)C(=O)[C@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000624151943 371348520 /nfs/dbraw/zinc/34/85/20/371348520.db2.gz GKPSXGAONLNKKO-YFKPBYRVSA-N 1 0 239.283 -1.603 20 0 BAADRO CCN(CC(N)=O)c1nc(N)[nH+]c(N)n1 ZINC000624152053 371348293 /nfs/dbraw/zinc/34/82/93/371348293.db2.gz LBNJLTNQRIQGFA-UHFFFAOYSA-N 1 0 211.229 -1.992 20 0 BAADRO Nc1nc(NC[C@@H](O)C(F)(F)F)nc(N)[nH+]1 ZINC000624154157 371349710 /nfs/dbraw/zinc/34/97/10/371349710.db2.gz DOBMDUBTZDYOPR-UWTATZPHSA-N 1 0 238.173 -1.546 20 0 BAADRO C[C@H](Nc1nc(N)[nH+]c(N)n1)C(=O)N(C)C ZINC000624154813 371349864 /nfs/dbraw/zinc/34/98/64/371349864.db2.gz WCCFHLKKKFFVLL-BYPYZUCNSA-N 1 0 225.256 -1.993 20 0 BAADRO CCN1CN(c2nc(N)[nH+]c(N)n2)CC1=O ZINC000624155648 371351240 /nfs/dbraw/zinc/35/12/40/371351240.db2.gz ZIBRGEJAWBDLCS-UHFFFAOYSA-N 1 0 223.240 -1.677 20 0 BAADRO CO[C@@H]1CN(c2nc(N)[nH+]c(N)n2)C[C@@H]1OC ZINC000624156277 371350980 /nfs/dbraw/zinc/35/09/80/371350980.db2.gz XFICWILGALYMEU-OLQVQODUSA-N 1 0 240.267 -1.453 20 0 BAADRO Nc1nc(N[C@@H](CO)CC(F)F)nc(N)[nH+]1 ZINC000624157815 347467828 /nfs/dbraw/zinc/46/78/28/347467828.db2.gz ABGWUKNONUQLEW-GSVOUGTGSA-N 1 0 234.210 -1.453 20 0 BAADRO Nc1nc(N[C@H](CO)CC(F)F)nc(N)[nH+]1 ZINC000624157816 347467966 /nfs/dbraw/zinc/46/79/66/347467966.db2.gz ABGWUKNONUQLEW-VKHMYHEASA-N 1 0 234.210 -1.453 20 0 BAADRO C[C@H]1COCC[C@H]1Nc1nc(N)[nH+]c(N)n1 ZINC000624158679 371352902 /nfs/dbraw/zinc/35/29/02/371352902.db2.gz IDQDYZQSSQHESJ-NTSWFWBYSA-N 1 0 224.268 -1.044 20 0 BAADRO C[C@@H]1COCC[C@H]1Nc1nc(N)[nH+]c(N)n1 ZINC000624158680 371353071 /nfs/dbraw/zinc/35/30/71/371353071.db2.gz IDQDYZQSSQHESJ-PHDIDXHHSA-N 1 0 224.268 -1.044 20 0 BAADRO C[C@@H]1COCC[C@@H]1Nc1nc(N)[nH+]c(N)n1 ZINC000624158681 371353614 /nfs/dbraw/zinc/35/36/14/371353614.db2.gz IDQDYZQSSQHESJ-RITPCOANSA-N 1 0 224.268 -1.044 20 0 BAADRO C[C@H]1COCC[C@@H]1Nc1nc(N)[nH+]c(N)n1 ZINC000624158682 371353592 /nfs/dbraw/zinc/35/35/92/371353592.db2.gz IDQDYZQSSQHESJ-WDSKDSINSA-N 1 0 224.268 -1.044 20 0 BAADRO Nc1nc(NCCC2CC(O)C2)nc(N)[nH+]1 ZINC000624159295 371353812 /nfs/dbraw/zinc/35/38/12/371353812.db2.gz YNSQHQLVPAYOHN-UHFFFAOYSA-N 1 0 224.268 -1.308 20 0 BAADRO Nc1nc(NCCc2nnc[nH]2)nc(N)[nH+]1 ZINC000624159970 371352916 /nfs/dbraw/zinc/35/29/16/371352916.db2.gz WCAZOYOTEVQMRC-UHFFFAOYSA-N 1 0 221.228 -2.109 20 0 BAADRO C[C@@H]1COCCN1c1nc(N)[nH+]c(N)n1 ZINC000624160314 371353037 /nfs/dbraw/zinc/35/30/37/371353037.db2.gz PGQPXANXBRAPOY-RXMQYKEDSA-N 1 0 210.241 -1.078 20 0 BAADRO Cn1ccc(NCCNc2nc(N)[nH+]c(N)n2)n1 ZINC000624163596 371358496 /nfs/dbraw/zinc/35/84/96/371358496.db2.gz GAQHQFZOXIYGRS-UHFFFAOYSA-N 1 0 249.282 -2.202 20 0 BAADRO C[C@@H](O)CCCNc1nc(N)[nH+]c(N)n1 ZINC000624167285 371360067 /nfs/dbraw/zinc/36/00/67/371360067.db2.gz WHYSMHAJKOXSQR-RXMQYKEDSA-N 1 0 212.257 -1.308 20 0 BAADRO C[C@H](O)CCCNc1nc(N)[nH+]c(N)n1 ZINC000624167286 371360202 /nfs/dbraw/zinc/36/02/02/371360202.db2.gz WHYSMHAJKOXSQR-YFKPBYRVSA-N 1 0 212.257 -1.308 20 0 BAADRO Nc1nc(NC[C@H]2CCCC(=O)N2)nc(N)[nH+]1 ZINC000624168202 349487385 /nfs/dbraw/zinc/48/73/85/349487385.db2.gz AKBVHZWSULUKFE-RXMQYKEDSA-N 1 0 237.267 -1.801 20 0 BAADRO Nc1nc(NC[C@@H]2CCCC(=O)N2)nc(N)[nH+]1 ZINC000624168203 349487367 /nfs/dbraw/zinc/48/73/67/349487367.db2.gz AKBVHZWSULUKFE-YFKPBYRVSA-N 1 0 237.267 -1.801 20 0 BAADRO C[C@H]1OCC[C@]1(O)CNc1nc(N)[nH+]c(N)n1 ZINC000624168768 371361893 /nfs/dbraw/zinc/36/18/93/371361893.db2.gz ITWNFKHMLMMETD-ANLVUFKYSA-N 1 0 240.267 -1.930 20 0 BAADRO C[C@@H]1OCC[C@]1(O)CNc1nc(N)[nH+]c(N)n1 ZINC000624168769 371362145 /nfs/dbraw/zinc/36/21/45/371362145.db2.gz ITWNFKHMLMMETD-CDUCUWFYSA-N 1 0 240.267 -1.930 20 0 BAADRO C[C@H]1OCC[C@@]1(O)CNc1nc(N)[nH+]c(N)n1 ZINC000624168770 371362007 /nfs/dbraw/zinc/36/20/07/371362007.db2.gz ITWNFKHMLMMETD-MLUIRONXSA-N 1 0 240.267 -1.930 20 0 BAADRO C[C@@H]1OCC[C@@]1(O)CNc1nc(N)[nH+]c(N)n1 ZINC000624168771 371361519 /nfs/dbraw/zinc/36/15/19/371361519.db2.gz ITWNFKHMLMMETD-SSDLBLMSSA-N 1 0 240.267 -1.930 20 0 BAADRO Nc1nc(N2CC(=O)N(CC3CC3)C2)nc(N)[nH+]1 ZINC000624169005 371362071 /nfs/dbraw/zinc/36/20/71/371362071.db2.gz RXJTZXKVQKMKTE-UHFFFAOYSA-N 1 0 249.278 -1.287 20 0 BAADRO Nc1nc(N2CC(=O)N(C3CC3)C2)nc(N)[nH+]1 ZINC000624169269 371361183 /nfs/dbraw/zinc/36/11/83/371361183.db2.gz ATXCGRBGHRHSEI-UHFFFAOYSA-N 1 0 235.251 -1.535 20 0 BAADRO CC1(C)CN(c2nc(N)[nH+]c(N)n2)C[C@H]1O ZINC000624169703 371362123 /nfs/dbraw/zinc/36/21/23/371362123.db2.gz UEFIHPXPVQYXID-RXMQYKEDSA-N 1 0 224.268 -1.096 20 0 BAADRO CC1(C)CN(c2nc(N)[nH+]c(N)n2)C[C@@H]1O ZINC000624169704 371362169 /nfs/dbraw/zinc/36/21/69/371362169.db2.gz UEFIHPXPVQYXID-YFKPBYRVSA-N 1 0 224.268 -1.096 20 0 BAADRO CC(C)n1ncnc1CNc1nc(N)[nH+]c(N)n1 ZINC000624175028 371366381 /nfs/dbraw/zinc/36/63/81/371366381.db2.gz IUINBQUUMUJMCB-UHFFFAOYSA-N 1 0 249.282 -1.097 20 0 BAADRO Nc1nc(N[C@H]2[C@@H]3COC[C@@H]32)nc(N)[nH+]1 ZINC000624177899 371368976 /nfs/dbraw/zinc/36/89/76/371368976.db2.gz FNWDTMBNYNAONH-SCDXWVJYSA-N 1 0 208.225 -1.825 20 0 BAADRO C[C@](O)(CO)CNc1nc(N)[nH+]c(N)n1 ZINC000624178026 371369721 /nfs/dbraw/zinc/36/97/21/371369721.db2.gz OABISYPTIFDNAA-SSDOTTSWSA-N 1 0 214.229 -2.726 20 0 BAADRO C[C@@](O)(CO)CNc1nc(N)[nH+]c(N)n1 ZINC000624178027 371369686 /nfs/dbraw/zinc/36/96/86/371369686.db2.gz OABISYPTIFDNAA-ZETCQYMHSA-N 1 0 214.229 -2.726 20 0 BAADRO Nc1nc(NCC(=O)NCC(F)F)nc(N)[nH+]1 ZINC000624178805 350453668 /nfs/dbraw/zinc/45/36/68/350453668.db2.gz ABBLVLBFQVHTDL-UHFFFAOYSA-N 1 0 247.209 -2.088 20 0 BAADRO COCC[C@H](CO)Nc1nc(N)[nH+]c(N)n1 ZINC000624182656 371373923 /nfs/dbraw/zinc/37/39/23/371373923.db2.gz MAXXXWIMLMZKLI-RXMQYKEDSA-N 1 0 228.256 -2.072 20 0 BAADRO COCC[C@@H](CO)Nc1nc(N)[nH+]c(N)n1 ZINC000624182657 371373948 /nfs/dbraw/zinc/37/39/48/371373948.db2.gz MAXXXWIMLMZKLI-YFKPBYRVSA-N 1 0 228.256 -2.072 20 0 BAADRO Nc1nc(N2C[C@@H]3COC[C@@H]3C2)nc(N)[nH+]1 ZINC000624183467 371373343 /nfs/dbraw/zinc/37/33/43/371373343.db2.gz RHIDPQXTHWCAPX-OLQVQODUSA-N 1 0 222.252 -1.221 20 0 BAADRO CCN(c1nc(N)[nH+]c(N)n1)[C@@H]1CCNC1=O ZINC000624185326 371375115 /nfs/dbraw/zinc/37/51/15/371375115.db2.gz NKTQUQPQCHLMMV-RXMQYKEDSA-N 1 0 237.267 -1.588 20 0 BAADRO CCN(c1nc(N)[nH+]c(N)n1)[C@H]1CCNC1=O ZINC000624185327 371375660 /nfs/dbraw/zinc/37/56/60/371375660.db2.gz NKTQUQPQCHLMMV-YFKPBYRVSA-N 1 0 237.267 -1.588 20 0 BAADRO C[C@H]1CCNC(=O)[C@@H]1Nc1nc(N)[nH+]c(N)n1 ZINC000624185549 371375133 /nfs/dbraw/zinc/37/51/33/371375133.db2.gz ZRIDLZXTPQTZSV-CRCLSJGQSA-N 1 0 237.267 -1.945 20 0 BAADRO C[C@@H]1CCNC(=O)[C@@H]1Nc1nc(N)[nH+]c(N)n1 ZINC000624185550 371374910 /nfs/dbraw/zinc/37/49/10/371374910.db2.gz ZRIDLZXTPQTZSV-RFZPGFLSSA-N 1 0 237.267 -1.945 20 0 BAADRO C[C@@H]1CCNC(=O)[C@H]1Nc1nc(N)[nH+]c(N)n1 ZINC000624185551 371375021 /nfs/dbraw/zinc/37/50/21/371375021.db2.gz ZRIDLZXTPQTZSV-UHNVWZDZSA-N 1 0 237.267 -1.945 20 0 BAADRO C[C@H]1CCNC(=O)[C@H]1Nc1nc(N)[nH+]c(N)n1 ZINC000624185552 371374696 /nfs/dbraw/zinc/37/46/96/371374696.db2.gz ZRIDLZXTPQTZSV-WHFBIAKZSA-N 1 0 237.267 -1.945 20 0 BAADRO C[C@H](Nc1nc(N)[nH+]c(N)n1)C(=O)NCCF ZINC000624186193 371375496 /nfs/dbraw/zinc/37/54/96/371375496.db2.gz DSXWXPOJEXCUBF-BYPYZUCNSA-N 1 0 243.246 -1.995 20 0 BAADRO C[C@@H](Nc1nc(N)[nH+]c(N)n1)C(=O)NCCF ZINC000624186194 371375090 /nfs/dbraw/zinc/37/50/90/371375090.db2.gz DSXWXPOJEXCUBF-SCSAIBSYSA-N 1 0 243.246 -1.995 20 0 BAADRO CCN(CCOCCO)c1nc(N)[nH+]c(N)n1 ZINC000624186541 371375303 /nfs/dbraw/zinc/37/53/03/371375303.db2.gz WFIMXNWSYBVDOF-UHFFFAOYSA-N 1 0 242.283 -1.468 20 0 BAADRO C[C@@H]1CN(c2nc(N)[nH+]c(N)n2)CC(=O)N1C ZINC000624186777 371376275 /nfs/dbraw/zinc/37/62/75/371376275.db2.gz DWUASDDGXWOOGQ-RXMQYKEDSA-N 1 0 237.267 -1.636 20 0 BAADRO C[C@H]1CN(c2nc(N)[nH+]c(N)n2)CC(=O)N1C ZINC000624186778 371376363 /nfs/dbraw/zinc/37/63/63/371376363.db2.gz DWUASDDGXWOOGQ-YFKPBYRVSA-N 1 0 237.267 -1.636 20 0 BAADRO CN(CCOCCO)c1nc(N)[nH+]c(N)n1 ZINC000624187726 371376781 /nfs/dbraw/zinc/37/67/81/371376781.db2.gz GYUNSAXCHFROJQ-UHFFFAOYSA-N 1 0 228.256 -1.858 20 0 BAADRO COC[C@H](O)CNc1nc(N)[nH+]c(N)n1 ZINC000624189554 371378726 /nfs/dbraw/zinc/37/87/26/371378726.db2.gz RCGBUKNPDSGDTB-SCSAIBSYSA-N 1 0 214.229 -2.462 20 0 BAADRO CCn1cc(CNc2nc(N)[nH+]c(N)n2)cn1 ZINC000624215377 371401280 /nfs/dbraw/zinc/40/12/80/371401280.db2.gz HZVVUTZFNLGVJK-UHFFFAOYSA-N 1 0 234.267 -1.053 20 0 BAADRO CCC[C@H](Nc1nc(N)[nH+]c(N)n1)C(N)=O ZINC000624217629 371406657 /nfs/dbraw/zinc/40/66/57/371406657.db2.gz ASHPOTQNSXVOCU-BYPYZUCNSA-N 1 0 225.256 -1.815 20 0 BAADRO CC(C)[C@H](CO)CNc1nc(N)[nH+]c(N)n1 ZINC000624219844 371408916 /nfs/dbraw/zinc/40/89/16/371408916.db2.gz AJLJIINZPRIGQJ-LURJTMIESA-N 1 0 226.284 -1.205 20 0 BAADRO CC(C)[C@@H](CO)CNc1nc(N)[nH+]c(N)n1 ZINC000624219845 371408600 /nfs/dbraw/zinc/40/86/00/371408600.db2.gz AJLJIINZPRIGQJ-ZCFIWIBFSA-N 1 0 226.284 -1.205 20 0 BAADRO Nc1nc(NCC2=CCCOC2)nc(N)[nH+]1 ZINC000624222823 371411588 /nfs/dbraw/zinc/41/15/88/371411588.db2.gz GPEKUMUHXQXJRE-UHFFFAOYSA-N 1 0 222.252 -1.123 20 0 BAADRO CC(C)(CNc1nc(N)[nH+]c(N)n1)OCCO ZINC000624226595 371413549 /nfs/dbraw/zinc/41/35/49/371413549.db2.gz UWCBISZZJNVHDO-UHFFFAOYSA-N 1 0 242.283 -1.682 20 0 BAADRO COCCOCCN(C)c1nc(N)[nH+]c(N)n1 ZINC000624228800 371416500 /nfs/dbraw/zinc/41/65/00/371416500.db2.gz BRCNKCBODZZVSN-UHFFFAOYSA-N 1 0 242.283 -1.204 20 0 BAADRO Nc1nc(NCCc2cn[nH]c2)nc(N)[nH+]1 ZINC000624232055 371420580 /nfs/dbraw/zinc/42/05/80/371420580.db2.gz SBCZZKXPQPYKHF-UHFFFAOYSA-N 1 0 220.240 -1.504 20 0 BAADRO CO[C@H](C)[C@@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000624233331 371420567 /nfs/dbraw/zinc/42/05/67/371420567.db2.gz AMKCXLCMHQDCGL-RFZPGFLSSA-N 1 0 212.257 -1.046 20 0 BAADRO CO[C@@H](C)[C@@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000624233332 371419963 /nfs/dbraw/zinc/41/99/63/371419963.db2.gz AMKCXLCMHQDCGL-UHNVWZDZSA-N 1 0 212.257 -1.046 20 0 BAADRO COCC[C@@H](COC)Nc1nc(N)[nH+]c(N)n1 ZINC000624233719 371419569 /nfs/dbraw/zinc/41/95/69/371419569.db2.gz YBKNYJUYMORCRW-LURJTMIESA-N 1 0 242.283 -1.418 20 0 BAADRO COCC[C@H](COC)Nc1nc(N)[nH+]c(N)n1 ZINC000624233720 371419692 /nfs/dbraw/zinc/41/96/92/371419692.db2.gz YBKNYJUYMORCRW-ZCFIWIBFSA-N 1 0 242.283 -1.418 20 0 BAADRO CC[C@H](CNc1nc(N)[nH+]c(N)n1)OC ZINC000624234022 371419917 /nfs/dbraw/zinc/41/99/17/371419917.db2.gz NUYJUOZUFWHRCE-RXMQYKEDSA-N 1 0 212.257 -1.044 20 0 BAADRO CC[C@@H](CNc1nc(N)[nH+]c(N)n1)OC ZINC000624234023 371419865 /nfs/dbraw/zinc/41/98/65/371419865.db2.gz NUYJUOZUFWHRCE-YFKPBYRVSA-N 1 0 212.257 -1.044 20 0 BAADRO CC[C@@H](Nc1nc(N)[nH+]c(N)n1)C(N)=O ZINC000624234564 343574315 /nfs/dbraw/zinc/57/43/15/343574315.db2.gz AYLTXUPVINLWMP-GSVOUGTGSA-N 1 0 211.229 -2.206 20 0 BAADRO CC(C)n1cc(CNc2nc(N)[nH+]c(N)n2)nn1 ZINC000624236038 371423764 /nfs/dbraw/zinc/42/37/64/371423764.db2.gz VILUUIIXSAIPHB-UHFFFAOYSA-N 1 0 249.282 -1.097 20 0 BAADRO CCN(c1nc(N)[nH+]c(N)n1)[C@H](C)CO ZINC000624237140 371424711 /nfs/dbraw/zinc/42/47/11/371424711.db2.gz QJVSLAXYYCMXJJ-RXMQYKEDSA-N 1 0 212.257 -1.096 20 0 BAADRO Nc1nc(N2CCO[C@@H]3C[C@@H]32)nc(N)[nH+]1 ZINC000624238305 371427422 /nfs/dbraw/zinc/42/74/22/371427422.db2.gz ORIPJJICUPDRRZ-CRCLSJGQSA-N 1 0 208.225 -1.326 20 0 BAADRO Nc1nc(N2CCO[C@H]3C[C@H]32)nc(N)[nH+]1 ZINC000624238307 343585030 /nfs/dbraw/zinc/58/50/30/343585030.db2.gz ORIPJJICUPDRRZ-UHNVWZDZSA-N 1 0 208.225 -1.326 20 0 BAADRO Nc1nc(NC2COCCOC2)nc(N)[nH+]1 ZINC000624239007 371427873 /nfs/dbraw/zinc/42/78/73/371427873.db2.gz BEJJONPZYRNXDI-UHFFFAOYSA-N 1 0 226.240 -2.054 20 0 BAADRO Cc1nnsc1CNc1nc(N)[nH+]c(N)n1 ZINC000624240633 371430125 /nfs/dbraw/zinc/43/01/25/371430125.db2.gz PHDOQJCHHNHWCV-UHFFFAOYSA-N 1 0 238.280 -1.109 20 0 BAADRO CNC(=O)[C@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000624242488 371429997 /nfs/dbraw/zinc/42/99/97/371429997.db2.gz PAITYGKGJUBFMK-VKHMYHEASA-N 1 0 211.229 -2.335 20 0 BAADRO Nc1nc(NC[C@H]2CC[C@@H](CO)O2)nc(N)[nH+]1 ZINC000624244122 371431519 /nfs/dbraw/zinc/43/15/19/371431519.db2.gz OFUGQXFHLHBPTH-RITPCOANSA-N 1 0 240.267 -1.930 20 0 BAADRO COC[C@H]1CCN1c1nc(N)[nH+]c(N)n1 ZINC000624244141 371428549 /nfs/dbraw/zinc/42/85/49/371428549.db2.gz PCSNPLLPDDMDRO-RXMQYKEDSA-N 1 0 210.241 -1.078 20 0 BAADRO COC[C@@H]1CCN1c1nc(N)[nH+]c(N)n1 ZINC000624244142 371429630 /nfs/dbraw/zinc/42/96/30/371429630.db2.gz PCSNPLLPDDMDRO-YFKPBYRVSA-N 1 0 210.241 -1.078 20 0 BAADRO Cc1nccnc1CCNc1nc(N)[nH+]c(N)n1 ZINC000624246558 371432317 /nfs/dbraw/zinc/43/23/17/371432317.db2.gz SKRVZUHLUHCCLJ-UHFFFAOYSA-N 1 0 246.278 -1.128 20 0 BAADRO CO[C@@H](CNc1nc(N)[nH+]c(N)n1)C1CC1 ZINC000624246623 371432956 /nfs/dbraw/zinc/43/29/56/371432956.db2.gz WBEUDZJHVDBESS-LURJTMIESA-N 1 0 224.268 -1.044 20 0 BAADRO CO[C@H](CNc1nc(N)[nH+]c(N)n1)C1CC1 ZINC000624246624 371432371 /nfs/dbraw/zinc/43/23/71/371432371.db2.gz WBEUDZJHVDBESS-ZCFIWIBFSA-N 1 0 224.268 -1.044 20 0 BAADRO CCN(c1nc(N)[nH+]c(N)n1)[C@@H](C)CO ZINC000624247065 371433018 /nfs/dbraw/zinc/43/30/18/371433018.db2.gz QJVSLAXYYCMXJJ-YFKPBYRVSA-N 1 0 212.257 -1.096 20 0 BAADRO C[C@H](CCO)CCNc1nc(N)[nH+]c(N)n1 ZINC000624247668 371432969 /nfs/dbraw/zinc/43/29/69/371432969.db2.gz PEWPTPIUJNDINA-LURJTMIESA-N 1 0 226.284 -1.061 20 0 BAADRO C[C@@H](CCO)CCNc1nc(N)[nH+]c(N)n1 ZINC000624247669 371433040 /nfs/dbraw/zinc/43/30/40/371433040.db2.gz PEWPTPIUJNDINA-ZCFIWIBFSA-N 1 0 226.284 -1.061 20 0 BAADRO CCOC1CN(c2nc(N)[nH+]c(N)n2)C1 ZINC000624247678 371433128 /nfs/dbraw/zinc/43/31/28/371433128.db2.gz PUSWQQJDBUPMKQ-UHFFFAOYSA-N 1 0 210.241 -1.078 20 0 BAADRO CC[C@H](CO)N(C)c1nc(N)[nH+]c(N)n1 ZINC000624248144 371434166 /nfs/dbraw/zinc/43/41/66/371434166.db2.gz BUBDEIGFYCCWAV-RXMQYKEDSA-N 1 0 212.257 -1.096 20 0 BAADRO CC[C@@H](CO)N(C)c1nc(N)[nH+]c(N)n1 ZINC000624248145 371434312 /nfs/dbraw/zinc/43/43/12/371434312.db2.gz BUBDEIGFYCCWAV-YFKPBYRVSA-N 1 0 212.257 -1.096 20 0 BAADRO COC[C@](C)(O)CCNc1nc(N)[nH+]c(N)n1 ZINC000624248150 371433934 /nfs/dbraw/zinc/43/39/34/371433934.db2.gz BYSFKRCRQXYUMX-SECBINFHSA-N 1 0 242.283 -1.682 20 0 BAADRO COC[C@@](C)(O)CCNc1nc(N)[nH+]c(N)n1 ZINC000624248151 371434431 /nfs/dbraw/zinc/43/44/31/371434431.db2.gz BYSFKRCRQXYUMX-VIFPVBQESA-N 1 0 242.283 -1.682 20 0 BAADRO C[C@H]1COCCN1c1nc(N)[nH+]c(N)n1 ZINC000624248498 371434033 /nfs/dbraw/zinc/43/40/33/371434033.db2.gz PGQPXANXBRAPOY-YFKPBYRVSA-N 1 0 210.241 -1.078 20 0 BAADRO CC(C)(CO)CCNc1nc(N)[nH+]c(N)n1 ZINC000624248760 371433911 /nfs/dbraw/zinc/43/39/11/371433911.db2.gz BFGJIUXKBCJDOD-UHFFFAOYSA-N 1 0 226.284 -1.061 20 0 BAADRO Nc1nc(NCC2=CCOCC2)nc(N)[nH+]1 ZINC000624248963 371434395 /nfs/dbraw/zinc/43/43/95/371434395.db2.gz LHKKOCDWVHMTJP-UHFFFAOYSA-N 1 0 222.252 -1.123 20 0 BAADRO C[C@@H](CCCO)CNc1nc(N)[nH+]c(N)n1 ZINC000624249140 371434366 /nfs/dbraw/zinc/43/43/66/371434366.db2.gz VZAHEUPITFQBFX-LURJTMIESA-N 1 0 226.284 -1.061 20 0 BAADRO C[C@H](CCCO)CNc1nc(N)[nH+]c(N)n1 ZINC000624249141 371434341 /nfs/dbraw/zinc/43/43/41/371434341.db2.gz VZAHEUPITFQBFX-ZCFIWIBFSA-N 1 0 226.284 -1.061 20 0 BAADRO COCC1(O)CN(c2nc(N)[nH+]c(N)n2)C1 ZINC000624249382 371435192 /nfs/dbraw/zinc/43/51/92/371435192.db2.gz FRYQBLLHWCEPTL-UHFFFAOYSA-N 1 0 226.240 -2.106 20 0 BAADRO CCn1ccnc1CNc1nc(N)[nH+]c(N)n1 ZINC000624249527 371435876 /nfs/dbraw/zinc/43/58/76/371435876.db2.gz MOTJDKKZJUGUEG-UHFFFAOYSA-N 1 0 234.267 -1.053 20 0 BAADRO Nc1nc(N[C@H]2CC[C@@H](CO)C2)nc(N)[nH+]1 ZINC000624249717 371435559 /nfs/dbraw/zinc/43/55/59/371435559.db2.gz USQHASNOSYIEFR-RITPCOANSA-N 1 0 224.268 -1.308 20 0 BAADRO CCN1C[C@H](Nc2nc(N)[nH+]c(N)n2)CC1=O ZINC000624255311 343611563 /nfs/dbraw/zinc/61/15/63/343611563.db2.gz KZJLZGFMGBZYAT-RXMQYKEDSA-N 1 0 237.267 -1.849 20 0 BAADRO CCN1C[C@@H](Nc2nc(N)[nH+]c(N)n2)CC1=O ZINC000624255312 343611553 /nfs/dbraw/zinc/61/15/53/343611553.db2.gz KZJLZGFMGBZYAT-YFKPBYRVSA-N 1 0 237.267 -1.849 20 0 BAADRO COCC(COC)Nc1nc(N)[nH+]c(N)n1 ZINC000624256408 343615173 /nfs/dbraw/zinc/61/51/73/343615173.db2.gz RJUXNNMDEWJTIZ-UHFFFAOYSA-N 1 0 228.256 -1.808 20 0 BAADRO C[C@H]1CN(c2nc(N)[nH+]c(N)n2)CC(=O)N1 ZINC000624256494 343616542 /nfs/dbraw/zinc/61/65/42/343616542.db2.gz VJYPXXONDPRGAT-BYPYZUCNSA-N 1 0 223.240 -1.979 20 0 BAADRO C[C@@H]1CN(c2nc(N)[nH+]c(N)n2)CC(=O)N1 ZINC000624256495 343616594 /nfs/dbraw/zinc/61/65/94/343616594.db2.gz VJYPXXONDPRGAT-SCSAIBSYSA-N 1 0 223.240 -1.979 20 0 BAADRO CC[C@@H](Nc1nc(N)[nH+]c(N)n1)[C@H](C)O ZINC000624256524 371441825 /nfs/dbraw/zinc/44/18/25/371441825.db2.gz XAJKKLKDYZQLQJ-CRCLSJGQSA-N 1 0 212.257 -1.310 20 0 BAADRO CC[C@@H](Nc1nc(N)[nH+]c(N)n1)[C@@H](C)O ZINC000624256525 371438995 /nfs/dbraw/zinc/43/89/95/371438995.db2.gz XAJKKLKDYZQLQJ-RFZPGFLSSA-N 1 0 212.257 -1.310 20 0 BAADRO CC[C@H](Nc1nc(N)[nH+]c(N)n1)[C@@H](C)O ZINC000624256526 371439195 /nfs/dbraw/zinc/43/91/95/371439195.db2.gz XAJKKLKDYZQLQJ-UHNVWZDZSA-N 1 0 212.257 -1.310 20 0 BAADRO CC[C@H](Nc1nc(N)[nH+]c(N)n1)[C@H](C)O ZINC000624256527 371441123 /nfs/dbraw/zinc/44/11/23/371441123.db2.gz XAJKKLKDYZQLQJ-WHFBIAKZSA-N 1 0 212.257 -1.310 20 0 BAADRO Nc1nc(NCCC2(CO)CC2)nc(N)[nH+]1 ZINC000624257385 371443747 /nfs/dbraw/zinc/44/37/47/371443747.db2.gz AWSBYKWNYAOTMQ-UHFFFAOYSA-N 1 0 224.268 -1.307 20 0 BAADRO CO[C@@H]1CN(c2nc(N)[nH+]c(N)n2)C[C@H]1O ZINC000624257512 371444189 /nfs/dbraw/zinc/44/41/89/371444189.db2.gz GMADSGDZTOIPCP-RFZPGFLSSA-N 1 0 226.240 -2.107 20 0 BAADRO CCC1(CNc2nc(N)[nH+]c(N)n2)COC1 ZINC000624258128 343623170 /nfs/dbraw/zinc/62/31/70/343623170.db2.gz AGXFYAWSYXPMSF-UHFFFAOYSA-N 1 0 224.268 -1.043 20 0 BAADRO C[C@@H](Cc1cnn(C)c1)Nc1nc(N)[nH+]c(N)n1 ZINC000624258683 371445344 /nfs/dbraw/zinc/44/53/44/371445344.db2.gz QOXCXUQTRSFXRO-LURJTMIESA-N 1 0 248.294 -1.105 20 0 BAADRO C[C@H](Cc1cnn(C)c1)Nc1nc(N)[nH+]c(N)n1 ZINC000624258684 371445449 /nfs/dbraw/zinc/44/54/49/371445449.db2.gz QOXCXUQTRSFXRO-ZCFIWIBFSA-N 1 0 248.294 -1.105 20 0 BAADRO CNC(=O)C[C@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000624258822 371444692 /nfs/dbraw/zinc/44/46/92/371444692.db2.gz VDVAYNSNWQVOSA-BYPYZUCNSA-N 1 0 225.256 -1.945 20 0 BAADRO CNC(=O)C[C@@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000624258823 371444777 /nfs/dbraw/zinc/44/47/77/371444777.db2.gz VDVAYNSNWQVOSA-SCSAIBSYSA-N 1 0 225.256 -1.945 20 0 BAADRO Nc1nc(N[C@@H]2COC[C@H]2O)nc(N)[nH+]1 ZINC000624258968 371445541 /nfs/dbraw/zinc/44/55/41/371445541.db2.gz ZPVMBYQRCQYEGV-QWWZWVQMSA-N 1 0 212.213 -2.710 20 0 BAADRO C[C@@H]1[C@H](O)CCN1c1nc(N)[nH+]c(N)n1 ZINC000624259692 371447694 /nfs/dbraw/zinc/44/76/94/371447694.db2.gz UAFLCNDKSNMYIJ-RFZPGFLSSA-N 1 0 210.241 -1.344 20 0 BAADRO CC1(C)COC[C@H]1Nc1nc(N)[nH+]c(N)n1 ZINC000624259819 371447590 /nfs/dbraw/zinc/44/75/90/371447590.db2.gz XLQIYQFBMQSVKO-RXMQYKEDSA-N 1 0 224.268 -1.044 20 0 BAADRO CC1(C)COC[C@@H]1Nc1nc(N)[nH+]c(N)n1 ZINC000624259820 371447548 /nfs/dbraw/zinc/44/75/48/371447548.db2.gz XLQIYQFBMQSVKO-YFKPBYRVSA-N 1 0 224.268 -1.044 20 0 BAADRO CCO[C@@H]1COC[C@H]1Nc1nc(N)[nH+]c(N)n1 ZINC000624261762 371448963 /nfs/dbraw/zinc/44/89/63/371448963.db2.gz AWKJJQGMDYRJPO-PHDIDXHHSA-N 1 0 240.267 -1.666 20 0 BAADRO Nc1nc(NC[C@H](O)C2CCC2)nc(N)[nH+]1 ZINC000624264124 371449872 /nfs/dbraw/zinc/44/98/72/371449872.db2.gz SXUHQPQFKLJYIL-LURJTMIESA-N 1 0 224.268 -1.308 20 0 BAADRO Nc1nc(NC[C@@H](O)C2CCC2)nc(N)[nH+]1 ZINC000624264125 371450353 /nfs/dbraw/zinc/45/03/53/371450353.db2.gz SXUHQPQFKLJYIL-ZCFIWIBFSA-N 1 0 224.268 -1.308 20 0 BAADRO NC(=O)[C@@H]1CC[C@H](Nc2nc(N)[nH+]c(N)n2)C1 ZINC000624265655 371449531 /nfs/dbraw/zinc/44/95/31/371449531.db2.gz XNAOCHBCNGUFIV-UHNVWZDZSA-N 1 0 237.267 -1.815 20 0 BAADRO CC[C@H](Nc1nc(N)[nH+]c(N)n1)C(=O)NC ZINC000624266241 371450459 /nfs/dbraw/zinc/45/04/59/371450459.db2.gz JLECKTPUSOQEHU-BYPYZUCNSA-N 1 0 225.256 -1.945 20 0 BAADRO CC[C@@H](Nc1nc(N)[nH+]c(N)n1)C(=O)NC ZINC000624266242 371450276 /nfs/dbraw/zinc/45/02/76/371450276.db2.gz JLECKTPUSOQEHU-SCSAIBSYSA-N 1 0 225.256 -1.945 20 0 BAADRO C[C@@H]1C[C@H](O)CN(c2nc(N)[nH+]c(N)n2)C1 ZINC000624266534 371451070 /nfs/dbraw/zinc/45/10/70/371451070.db2.gz PWPPDZGJZMRVSB-RITPCOANSA-N 1 0 224.268 -1.096 20 0 BAADRO Cc1cnc(CCNc2nc(N)[nH+]c(N)n2)cn1 ZINC000624267321 371451148 /nfs/dbraw/zinc/45/11/48/371451148.db2.gz KCWDWGSPWGMKBQ-UHFFFAOYSA-N 1 0 246.278 -1.128 20 0 BAADRO C[C@]1(CNc2nc(N)[nH+]c(N)n2)CCC(=O)N1 ZINC000624267522 371451807 /nfs/dbraw/zinc/45/18/07/371451807.db2.gz QIPAFOADBOOFEC-SECBINFHSA-N 1 0 237.267 -1.801 20 0 BAADRO C[C@@]1(CNc2nc(N)[nH+]c(N)n2)CCC(=O)N1 ZINC000624267523 371451335 /nfs/dbraw/zinc/45/13/35/371451335.db2.gz QIPAFOADBOOFEC-VIFPVBQESA-N 1 0 237.267 -1.801 20 0 BAADRO Nc1nc(N[C@@H]2CCC[C@H]2O)nc(N)[nH+]1 ZINC000624268947 371451003 /nfs/dbraw/zinc/45/10/03/371451003.db2.gz PWVAGKJGXKOLOQ-RFZPGFLSSA-N 1 0 210.241 -1.556 20 0 BAADRO Cn1cnc(CCNc2nc(N)[nH+]c(N)n2)c1 ZINC000624270263 371450977 /nfs/dbraw/zinc/45/09/77/371450977.db2.gz CKDUOHBTFUDYGL-UHFFFAOYSA-N 1 0 234.267 -1.493 20 0 BAADRO C[C@@H](O)[C@@H](CO)Nc1nc(N)[nH+]c(N)n1 ZINC000624272552 371454151 /nfs/dbraw/zinc/45/41/51/371454151.db2.gz JUWOKJACVZVESH-QWWZWVQMSA-N 1 0 214.229 -2.728 20 0 BAADRO CO[C@@H]1COC[C@@H]1Nc1nc(N)[nH+]c(N)n1 ZINC000624273881 371454382 /nfs/dbraw/zinc/45/43/82/371454382.db2.gz MKQNEMQJVVLYHI-CRCLSJGQSA-N 1 0 226.240 -2.056 20 0 BAADRO Nc1nc(NC[C@H]2CCCNC2=O)nc(N)[nH+]1 ZINC000624273929 371454029 /nfs/dbraw/zinc/45/40/29/371454029.db2.gz OFJDVCGYRSAESW-RXMQYKEDSA-N 1 0 237.267 -1.943 20 0 BAADRO Nc1nc(NC[C@@H]2CCCNC2=O)nc(N)[nH+]1 ZINC000624273930 371454223 /nfs/dbraw/zinc/45/42/23/371454223.db2.gz OFJDVCGYRSAESW-YFKPBYRVSA-N 1 0 237.267 -1.943 20 0 BAADRO Nc1nc(N2CCO[C@H](CF)C2)nc(N)[nH+]1 ZINC000624275298 398317249 /nfs/dbraw/zinc/31/72/49/398317249.db2.gz SFFCBEXPXAWHAT-RXMQYKEDSA-N 1 0 228.231 -1.129 20 0 BAADRO Nc1nc(N2CCO[C@@H](CF)C2)nc(N)[nH+]1 ZINC000624275299 398316961 /nfs/dbraw/zinc/31/69/61/398316961.db2.gz SFFCBEXPXAWHAT-YFKPBYRVSA-N 1 0 228.231 -1.129 20 0 BAADRO CCC[C@@H](O)[C@H](CO)Nc1nc(N)[nH+]c(N)n1 ZINC000624276394 398317167 /nfs/dbraw/zinc/31/71/67/398317167.db2.gz NAWSQIBRKUSZGX-NTSWFWBYSA-N 1 0 242.283 -1.948 20 0 BAADRO CCC[C@@H](O)[C@@H](CO)Nc1nc(N)[nH+]c(N)n1 ZINC000624276395 398316917 /nfs/dbraw/zinc/31/69/17/398316917.db2.gz NAWSQIBRKUSZGX-PHDIDXHHSA-N 1 0 242.283 -1.948 20 0 BAADRO CCC[C@H](O)[C@@H](CO)Nc1nc(N)[nH+]c(N)n1 ZINC000624276396 398317282 /nfs/dbraw/zinc/31/72/82/398317282.db2.gz NAWSQIBRKUSZGX-RITPCOANSA-N 1 0 242.283 -1.948 20 0 BAADRO CCC[C@H](O)[C@H](CO)Nc1nc(N)[nH+]c(N)n1 ZINC000624276397 398317272 /nfs/dbraw/zinc/31/72/72/398317272.db2.gz NAWSQIBRKUSZGX-WDSKDSINSA-N 1 0 242.283 -1.948 20 0 BAADRO CCn1ccc(CNc2nc(N)[nH+]c(N)n2)n1 ZINC000624276702 398317242 /nfs/dbraw/zinc/31/72/42/398317242.db2.gz XBEKCTONLVCNKS-UHFFFAOYSA-N 1 0 234.267 -1.053 20 0 BAADRO CC(C)NC(=O)[C@@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000624282785 371457720 /nfs/dbraw/zinc/45/77/20/371457720.db2.gz ADJFCUAWTYDEGA-RXMQYKEDSA-N 1 0 239.283 -1.556 20 0 BAADRO CC(C)NC(=O)[C@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000624282786 371455971 /nfs/dbraw/zinc/45/59/71/371455971.db2.gz ADJFCUAWTYDEGA-YFKPBYRVSA-N 1 0 239.283 -1.556 20 0 BAADRO CNC(=O)NCCNc1nc(N)[nH+]c(N)n1 ZINC000624286146 371457615 /nfs/dbraw/zinc/45/76/15/371457615.db2.gz LALZAGQHNZZNMO-UHFFFAOYSA-N 1 0 226.244 -2.540 20 0 BAADRO C[C@@]1(O)C[C@H](Nc2nc(N)[nH+]c(N)n2)C1 ZINC000624286220 371456769 /nfs/dbraw/zinc/45/67/69/371456769.db2.gz NTOMXWHGLTUOCY-SWUQSZJBSA-N 1 0 210.241 -1.556 20 0 BAADRO NC(=O)CC1(CNc2nc(N)[nH+]c(N)n2)CC1 ZINC000624287914 371458643 /nfs/dbraw/zinc/45/86/43/371458643.db2.gz XDTITWPIQLUJAY-UHFFFAOYSA-N 1 0 237.267 -1.814 20 0 BAADRO CON1CCC(Nc2nc(N)[nH+]c(N)n2)CC1 ZINC000624288331 371459153 /nfs/dbraw/zinc/45/91/53/371459153.db2.gz HNHNFUDXDDXEAJ-UHFFFAOYSA-N 1 0 239.283 -1.444 20 0 BAADRO Nc1nc(N2CCN(C(=O)C3CC3)C2)nc(N)[nH+]1 ZINC000624288789 371459005 /nfs/dbraw/zinc/45/90/05/371459005.db2.gz YSZBDSFEUBNNEB-UHFFFAOYSA-N 1 0 249.278 -1.287 20 0 BAADRO CCC(=O)N1CCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000624295590 343669378 /nfs/dbraw/zinc/66/93/78/343669378.db2.gz FOUMEUVXTGQDEY-UHFFFAOYSA-N 1 0 237.267 -1.287 20 0 BAADRO CCn1nnc(C)c1CNc1nc(N)[nH+]c(N)n1 ZINC000624319899 371481057 /nfs/dbraw/zinc/48/10/57/371481057.db2.gz CEOCODZFZKWFDD-UHFFFAOYSA-N 1 0 249.282 -1.349 20 0 BAADRO Nc1nc(NCC(=O)N2CCCO2)nc(N)[nH+]1 ZINC000624326826 371483059 /nfs/dbraw/zinc/48/30/59/371483059.db2.gz WCEYYZZFIZKUGQ-UHFFFAOYSA-N 1 0 239.239 -2.306 20 0 BAADRO CC1(C(N)=O)CN(c2nc(N)[nH+]c(N)n2)C1 ZINC000624328566 371484173 /nfs/dbraw/zinc/48/41/73/371484173.db2.gz WBEDMYJHPIWVOF-UHFFFAOYSA-N 1 0 223.240 -1.992 20 0 BAADRO C[C@H]1C(=O)N(C)CN1c1nc(N)[nH+]c(N)n1 ZINC000624335953 371486721 /nfs/dbraw/zinc/48/67/21/371486721.db2.gz DIXMHYPRMVPVLA-BYPYZUCNSA-N 1 0 223.240 -1.679 20 0 BAADRO C[C@@H]1C(=O)N(C)CN1c1nc(N)[nH+]c(N)n1 ZINC000624335954 371487241 /nfs/dbraw/zinc/48/72/41/371487241.db2.gz DIXMHYPRMVPVLA-SCSAIBSYSA-N 1 0 223.240 -1.679 20 0 BAADRO C[C@H]1C[C@@H](Nc2nc(N)[nH+]c(N)n2)CO1 ZINC000624336584 371487317 /nfs/dbraw/zinc/48/73/17/371487317.db2.gz URRCJBFDLZQSCL-CRCLSJGQSA-N 1 0 210.241 -1.292 20 0 BAADRO C[C@@H]1C[C@@H](Nc2nc(N)[nH+]c(N)n2)CO1 ZINC000624336585 371487179 /nfs/dbraw/zinc/48/71/79/371487179.db2.gz URRCJBFDLZQSCL-RFZPGFLSSA-N 1 0 210.241 -1.292 20 0 BAADRO C[C@@H]1C[C@H](Nc2nc(N)[nH+]c(N)n2)CO1 ZINC000624336586 371486876 /nfs/dbraw/zinc/48/68/76/371486876.db2.gz URRCJBFDLZQSCL-UHNVWZDZSA-N 1 0 210.241 -1.292 20 0 BAADRO C[C@H]1C[C@H](Nc2nc(N)[nH+]c(N)n2)CO1 ZINC000624336587 371486435 /nfs/dbraw/zinc/48/64/35/371486435.db2.gz URRCJBFDLZQSCL-WHFBIAKZSA-N 1 0 210.241 -1.292 20 0 BAADRO Nc1nc(N[C@@H]2C[C@H]3CC[C@@H]2O3)nc(N)[nH+]1 ZINC000624350694 343729715 /nfs/dbraw/zinc/72/97/15/343729715.db2.gz MDVONDDGDHOBQV-PBXRRBTRSA-N 1 0 222.252 -1.150 20 0 BAADRO NC(=O)[C@H]1C[C@@H](Nc2nc(N)[nH+]c(N)n2)C1 ZINC000624350839 343729742 /nfs/dbraw/zinc/72/97/42/343729742.db2.gz OXIWLYRBFPUOHY-ZXZARUISSA-N 1 0 223.240 -2.206 20 0 BAADRO Nc1nc(NCCN2CCCC2=O)nc(N)[nH+]1 ZINC000624350957 343729606 /nfs/dbraw/zinc/72/96/06/343729606.db2.gz QWXHEFFRZWFMNB-UHFFFAOYSA-N 1 0 237.267 -1.847 20 0 BAADRO Nc1nc(NCC[C@@]2(O)CCOC2)nc(N)[nH+]1 ZINC000624351303 343730093 /nfs/dbraw/zinc/73/00/93/343730093.db2.gz VUNBWRXSKFIMGZ-SECBINFHSA-N 1 0 240.267 -1.928 20 0 BAADRO Nc1nc(NCC[C@]2(O)CCOC2)nc(N)[nH+]1 ZINC000624351304 343729910 /nfs/dbraw/zinc/72/99/10/343729910.db2.gz VUNBWRXSKFIMGZ-VIFPVBQESA-N 1 0 240.267 -1.928 20 0 BAADRO [NH3+][C@@H]1CCN(S(=O)(=O)C2COC2)C1 ZINC000624352140 371490777 /nfs/dbraw/zinc/49/07/77/371490777.db2.gz JJQMUBHLTXDQSK-ZCFIWIBFSA-N 1 0 206.267 -1.252 20 0 BAADRO Cc1ncc(S(=O)(=O)NCC[NH3+])n1C ZINC000624352378 343730431 /nfs/dbraw/zinc/73/04/31/343730431.db2.gz VLGVVMNCZXQUPP-UHFFFAOYSA-N 1 0 218.282 -1.034 20 0 BAADRO C[NH2+]CCCNS(=O)(=O)C1COC1 ZINC000624352432 343730452 /nfs/dbraw/zinc/73/04/52/343730452.db2.gz XCVRHLRJEQQAHK-UHFFFAOYSA-N 1 0 208.283 -1.086 20 0 BAADRO O=S(=O)(N[C@H]1CC[NH2+]C1)C1COC1 ZINC000624353096 343730931 /nfs/dbraw/zinc/73/09/31/343730931.db2.gz FQXHQHRLUJEZSZ-LURJTMIESA-N 1 0 206.267 -1.334 20 0 BAADRO O=S(=O)(N[C@@H]1CC[NH2+]C1)C1COC1 ZINC000624353097 343730959 /nfs/dbraw/zinc/73/09/59/343730959.db2.gz FQXHQHRLUJEZSZ-ZCFIWIBFSA-N 1 0 206.267 -1.334 20 0 BAADRO [NH3+]C[C@H]1CCN(S(=O)(=O)C2COC2)C1 ZINC000624353175 343730072 /nfs/dbraw/zinc/73/00/72/343730072.db2.gz HRSNEDVHCWZHGS-SSDOTTSWSA-N 1 0 220.294 -1.004 20 0 BAADRO [NH3+]C[C@@H]1CCN(S(=O)(=O)C2COC2)C1 ZINC000624353176 343729926 /nfs/dbraw/zinc/72/99/26/343729926.db2.gz HRSNEDVHCWZHGS-ZETCQYMHSA-N 1 0 220.294 -1.004 20 0 BAADRO [NH3+][C@H]1CCN(S(=O)(=O)C2COC2)C1 ZINC000624353218 343730015 /nfs/dbraw/zinc/73/00/15/343730015.db2.gz JJQMUBHLTXDQSK-LURJTMIESA-N 1 0 206.267 -1.252 20 0 BAADRO Nc1nc(N[C@H](CO)CCF)nc(N)[nH+]1 ZINC000624353834 343730563 /nfs/dbraw/zinc/73/05/63/343730563.db2.gz XSTHLEKJTZTEIL-BYPYZUCNSA-N 1 0 216.220 -1.749 20 0 BAADRO Nc1nc(N[C@@H](CO)CCF)nc(N)[nH+]1 ZINC000624353835 343730400 /nfs/dbraw/zinc/73/04/00/343730400.db2.gz XSTHLEKJTZTEIL-SCSAIBSYSA-N 1 0 216.220 -1.749 20 0 BAADRO CC[NH2+]CCNS(=O)(=O)C1COC1 ZINC000624354285 343730843 /nfs/dbraw/zinc/73/08/43/343730843.db2.gz DPIFVDYCQLNFRP-UHFFFAOYSA-N 1 0 208.283 -1.086 20 0 BAADRO Cc1ncc(S(=O)(=O)NC2C[NH2+]C2)n1C ZINC000624354326 343730907 /nfs/dbraw/zinc/73/09/07/343730907.db2.gz FKVJXAHKXAFJCX-UHFFFAOYSA-N 1 0 230.293 -1.021 20 0 BAADRO C[C@H](CCO)N(C)c1nc(N)[nH+]c(N)n1 ZINC000624354955 343730759 /nfs/dbraw/zinc/73/07/59/343730759.db2.gz XBNBUUQNFCXQQL-RXMQYKEDSA-N 1 0 212.257 -1.096 20 0 BAADRO C[C@@H](CCO)N(C)c1nc(N)[nH+]c(N)n1 ZINC000624354956 343730991 /nfs/dbraw/zinc/73/09/91/343730991.db2.gz XBNBUUQNFCXQQL-YFKPBYRVSA-N 1 0 212.257 -1.096 20 0 BAADRO CN(CCC[NH3+])S(=O)(=O)C1COC1 ZINC000624355663 343731303 /nfs/dbraw/zinc/73/13/03/343731303.db2.gz CPPSABZSVHDJLJ-UHFFFAOYSA-N 1 0 208.283 -1.004 20 0 BAADRO C[C@@H](C[NH3+])N(C)S(=O)(=O)C1COC1 ZINC000624355707 343731542 /nfs/dbraw/zinc/73/15/42/343731542.db2.gz FFMQERPQORLMKE-LURJTMIESA-N 1 0 208.283 -1.006 20 0 BAADRO C[C@H](C[NH3+])N(C)S(=O)(=O)C1COC1 ZINC000624355708 343731381 /nfs/dbraw/zinc/73/13/81/343731381.db2.gz FFMQERPQORLMKE-ZCFIWIBFSA-N 1 0 208.283 -1.006 20 0 BAADRO CN1CCN(S(=O)(=O)C2COC2)[C@H](C[NH3+])C1 ZINC000624357180 343736398 /nfs/dbraw/zinc/73/63/98/343736398.db2.gz IIDLSYSNVFXQBI-MRVPVSSYSA-N 1 0 249.336 -1.710 20 0 BAADRO CN1CCN(S(=O)(=O)C2COC2)[C@@H](C[NH3+])C1 ZINC000624357181 343736739 /nfs/dbraw/zinc/73/67/39/343736739.db2.gz IIDLSYSNVFXQBI-QMMMGPOBSA-N 1 0 249.336 -1.710 20 0 BAADRO [NH3+]C[C@@H]1CN(S(=O)(=O)C2COC2)CCO1 ZINC000624361755 371492739 /nfs/dbraw/zinc/49/27/39/371492739.db2.gz XQZOSJSHEGQOKE-SSDOTTSWSA-N 1 0 236.293 -1.626 20 0 BAADRO [NH3+]C[C@H]1CN(S(=O)(=O)C2COC2)CCO1 ZINC000624361756 371492865 /nfs/dbraw/zinc/49/28/65/371492865.db2.gz XQZOSJSHEGQOKE-ZETCQYMHSA-N 1 0 236.293 -1.626 20 0 BAADRO C[C@@H](C[NH3+])CNS(=O)(=O)C1COC1 ZINC000624362218 343738140 /nfs/dbraw/zinc/73/81/40/343738140.db2.gz KVJORZXSLSCOBI-LURJTMIESA-N 1 0 208.283 -1.101 20 0 BAADRO C[C@H](C[NH3+])CNS(=O)(=O)C1COC1 ZINC000624362219 343738094 /nfs/dbraw/zinc/73/80/94/343738094.db2.gz KVJORZXSLSCOBI-ZCFIWIBFSA-N 1 0 208.283 -1.101 20 0 BAADRO C[C@@H]1CN(S(=O)(=O)C2COC2)C[C@H]1[NH3+] ZINC000624362934 343738546 /nfs/dbraw/zinc/73/85/46/343738546.db2.gz KWJGJADSJMCQGC-HTRCEHHLSA-N 1 0 220.294 -1.006 20 0 BAADRO C[C@H]1CN(S(=O)(=O)C2COC2)C[C@H]1[NH3+] ZINC000624362935 343738628 /nfs/dbraw/zinc/73/86/28/343738628.db2.gz KWJGJADSJMCQGC-POYBYMJQSA-N 1 0 220.294 -1.006 20 0 BAADRO C[C@@H]1CN(S(=O)(=O)C2COC2)C[C@@H]1[NH3+] ZINC000624362936 343738603 /nfs/dbraw/zinc/73/86/03/343738603.db2.gz KWJGJADSJMCQGC-SVRRBLITSA-N 1 0 220.294 -1.006 20 0 BAADRO C[C@H]1CN(S(=O)(=O)C2COC2)C[C@@H]1[NH3+] ZINC000624362937 343738531 /nfs/dbraw/zinc/73/85/31/343738531.db2.gz KWJGJADSJMCQGC-XPUUQOCRSA-N 1 0 220.294 -1.006 20 0 BAADRO O=S(=O)(C1COC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000624363051 343738724 /nfs/dbraw/zinc/73/87/24/343738724.db2.gz OVZFUHXUNUGWJZ-OCAPTIKFSA-N 1 0 232.305 -1.134 20 0 BAADRO [NH3+][C@H]1C[C@H](NS(=O)(=O)C2COC2)C1 ZINC000624363365 343738542 /nfs/dbraw/zinc/73/85/42/343738542.db2.gz YPAYOWXUIRUCPM-IZLXSQMJSA-N 1 0 206.267 -1.206 20 0 BAADRO [NH3+][C@H]1C[C@@H](NS(=O)(=O)C2COC2)C1 ZINC000624363366 343738462 /nfs/dbraw/zinc/73/84/62/343738462.db2.gz YPAYOWXUIRUCPM-OLQVQODUSA-N 1 0 206.267 -1.206 20 0 BAADRO O=S(=O)(NC[C@@H]1CC[NH2+]C1)C1COC1 ZINC000624363799 343738738 /nfs/dbraw/zinc/73/87/38/343738738.db2.gz SKMJCFIBHZCCRS-SSDOTTSWSA-N 1 0 220.294 -1.086 20 0 BAADRO O=S(=O)(NC[C@H]1CC[NH2+]C1)C1COC1 ZINC000624363800 343738513 /nfs/dbraw/zinc/73/85/13/343738513.db2.gz SKMJCFIBHZCCRS-ZETCQYMHSA-N 1 0 220.294 -1.086 20 0 BAADRO COCC[NH2+]CCNS(=O)(=O)C1COC1 ZINC000624363912 343737602 /nfs/dbraw/zinc/73/76/02/343737602.db2.gz XVHZIRGELFVQSU-UHFFFAOYSA-N 1 0 238.309 -1.459 20 0 BAADRO C[NH2+][C@@H](C)CNS(=O)(=O)C1COC1 ZINC000624364069 343737673 /nfs/dbraw/zinc/73/76/73/343737673.db2.gz DCGPUSIVJJTDNM-LURJTMIESA-N 1 0 208.283 -1.088 20 0 BAADRO C[NH2+][C@H](C)CNS(=O)(=O)C1COC1 ZINC000624364070 343737657 /nfs/dbraw/zinc/73/76/57/343737657.db2.gz DCGPUSIVJJTDNM-ZCFIWIBFSA-N 1 0 208.283 -1.088 20 0 BAADRO O=S(=O)(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1COC1 ZINC000624366080 371494217 /nfs/dbraw/zinc/49/42/17/371494217.db2.gz ORCSNISBSZZZJE-JIGDXULJSA-N 1 0 218.278 -1.478 20 0 BAADRO CN(C1C[NH2+]C1)S(=O)(=O)C1COC1 ZINC000624366268 343738910 /nfs/dbraw/zinc/73/89/10/343738910.db2.gz UKMCVGAJBITXBV-UHFFFAOYSA-N 1 0 206.267 -1.381 20 0 BAADRO O=S(=O)(NC[C@H]1C[NH2+]CCO1)C1COC1 ZINC000624370253 371495712 /nfs/dbraw/zinc/49/57/12/371495712.db2.gz DKNVCFFUHQRCMX-SSDOTTSWSA-N 1 0 236.293 -1.707 20 0 BAADRO O=S(=O)(NC[C@@H]1C[NH2+]CCO1)C1COC1 ZINC000624370254 371495201 /nfs/dbraw/zinc/49/52/01/371495201.db2.gz DKNVCFFUHQRCMX-ZETCQYMHSA-N 1 0 236.293 -1.707 20 0 BAADRO CO[C@@](C)(CO)CNc1nc(N)[nH+]c(N)n1 ZINC000624372502 343739516 /nfs/dbraw/zinc/73/95/16/343739516.db2.gz PXYYMEMTKQLJGI-MRVPVSSYSA-N 1 0 228.256 -2.072 20 0 BAADRO CO[C@](C)(CO)CNc1nc(N)[nH+]c(N)n1 ZINC000624372503 343739632 /nfs/dbraw/zinc/73/96/32/343739632.db2.gz PXYYMEMTKQLJGI-QMMMGPOBSA-N 1 0 228.256 -2.072 20 0 BAADRO O=S(=O)(C1COC1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000624372754 371495108 /nfs/dbraw/zinc/49/51/08/371495108.db2.gz VVTZOXIBXNVUPP-DTWKUNHWSA-N 1 0 248.304 -1.612 20 0 BAADRO COCC1(CNc2nc(N)[nH+]c(N)n2)CC1 ZINC000624373265 371495682 /nfs/dbraw/zinc/49/56/82/371495682.db2.gz IMXMZBCPFZACIX-UHFFFAOYSA-N 1 0 224.268 -1.043 20 0 BAADRO C[NH2+]C[C@H](C)NS(=O)(=O)C1COC1 ZINC000624376144 371495600 /nfs/dbraw/zinc/49/56/00/371495600.db2.gz JDPGDHCUBRVKIC-LURJTMIESA-N 1 0 208.283 -1.088 20 0 BAADRO C[NH2+]C[C@@H](C)NS(=O)(=O)C1COC1 ZINC000624376145 371494852 /nfs/dbraw/zinc/49/48/52/371494852.db2.gz JDPGDHCUBRVKIC-ZCFIWIBFSA-N 1 0 208.283 -1.088 20 0 BAADRO CCN(CC[NH3+])S(=O)(=O)C1COC1 ZINC000624382465 343744251 /nfs/dbraw/zinc/74/42/51/343744251.db2.gz CYBNAQWAKYDQGP-UHFFFAOYSA-N 1 0 208.283 -1.004 20 0 BAADRO CCN(CC[NH3+])S(=O)(=O)c1cnnn1C ZINC000624383018 343744356 /nfs/dbraw/zinc/74/43/56/343744356.db2.gz WVMLCYZPADRVTB-UHFFFAOYSA-N 1 0 233.297 -1.216 20 0 BAADRO COC[C@H](CCNc1nc(N)[nH+]c(N)n1)OC ZINC000624385672 371496365 /nfs/dbraw/zinc/49/63/65/371496365.db2.gz LPAQQXQBWIVETH-LURJTMIESA-N 1 0 242.283 -1.418 20 0 BAADRO COC[C@@H](CCNc1nc(N)[nH+]c(N)n1)OC ZINC000624385673 371496152 /nfs/dbraw/zinc/49/61/52/371496152.db2.gz LPAQQXQBWIVETH-ZCFIWIBFSA-N 1 0 242.283 -1.418 20 0 BAADRO Nc1nc(N[C@@H](CO)C2CCC2)nc(N)[nH+]1 ZINC000624385743 371496302 /nfs/dbraw/zinc/49/63/02/371496302.db2.gz NGJPTLQZKPOJGR-LURJTMIESA-N 1 0 224.268 -1.308 20 0 BAADRO Nc1nc(N[C@H](CO)C2CCC2)nc(N)[nH+]1 ZINC000624385744 371497035 /nfs/dbraw/zinc/49/70/35/371497035.db2.gz NGJPTLQZKPOJGR-ZCFIWIBFSA-N 1 0 224.268 -1.308 20 0 BAADRO CCNS(=O)(=O)NCC1([NH3+])CCOCC1 ZINC000624386676 343745254 /nfs/dbraw/zinc/74/52/54/343745254.db2.gz SSQACPQVWOJFAD-UHFFFAOYSA-N 1 0 237.325 -1.062 20 0 BAADRO Nc1nc(N2CC[C@H](O)C(F)(F)C2)nc(N)[nH+]1 ZINC000624393152 371497629 /nfs/dbraw/zinc/49/76/29/371497629.db2.gz NFZGTEBUDVLXSB-BYPYZUCNSA-N 1 0 246.221 -1.097 20 0 BAADRO Nc1nc(N2CC[C@@H](O)C(F)(F)C2)nc(N)[nH+]1 ZINC000624393153 371498491 /nfs/dbraw/zinc/49/84/91/371498491.db2.gz NFZGTEBUDVLXSB-SCSAIBSYSA-N 1 0 246.221 -1.097 20 0 BAADRO C[C@@H](Nc1nc(N)[nH+]c(N)n1)C1(CO)CC1 ZINC000624393681 371498293 /nfs/dbraw/zinc/49/82/93/371498293.db2.gz HCNRQTFKKOCNEO-RXMQYKEDSA-N 1 0 224.268 -1.308 20 0 BAADRO C[C@H](Nc1nc(N)[nH+]c(N)n1)C1(CO)CC1 ZINC000624393682 371498173 /nfs/dbraw/zinc/49/81/73/371498173.db2.gz HCNRQTFKKOCNEO-YFKPBYRVSA-N 1 0 224.268 -1.308 20 0 BAADRO C[NH2+]CCOCCNS(=O)(=O)N(C)C ZINC000624394774 371499583 /nfs/dbraw/zinc/49/95/83/371499583.db2.gz QOOYRHHBAQNYID-UHFFFAOYSA-N 1 0 225.314 -1.382 20 0 BAADRO CCn1cc(CNc2nc(N)[nH+]c(N)n2)nn1 ZINC000624395019 371499226 /nfs/dbraw/zinc/49/92/26/371499226.db2.gz AMHXVFHHRDRHLY-UHFFFAOYSA-N 1 0 235.255 -1.658 20 0 BAADRO C[NH2+]CCOCCNS(=O)(=O)CCOC ZINC000624395111 343752109 /nfs/dbraw/zinc/75/21/09/343752109.db2.gz GHZGFXCJSZLPEQ-UHFFFAOYSA-N 1 0 240.325 -1.212 20 0 BAADRO Nc1nc(NCCO[C@H]2CC2(F)F)nc(N)[nH+]1 ZINC000624395160 343752290 /nfs/dbraw/zinc/75/22/90/343752290.db2.gz JELOAYVNKMVIAK-BYPYZUCNSA-N 1 0 246.221 -1.045 20 0 BAADRO Nc1nc(NCCO[C@@H]2CC2(F)F)nc(N)[nH+]1 ZINC000624395161 343752249 /nfs/dbraw/zinc/75/22/49/343752249.db2.gz JELOAYVNKMVIAK-SCSAIBSYSA-N 1 0 246.221 -1.045 20 0 BAADRO C[NH2+]CCOCCNS(=O)(=O)c1c[nH]cn1 ZINC000624395214 343752191 /nfs/dbraw/zinc/75/21/91/343752191.db2.gz MRMGXNDZHJOVDM-UHFFFAOYSA-N 1 0 248.308 -1.076 20 0 BAADRO CCNS(=O)(=O)NCCOCC[NH2+]C ZINC000624395322 343752885 /nfs/dbraw/zinc/75/28/85/343752885.db2.gz RQKUWYIUQPJXSP-UHFFFAOYSA-N 1 0 225.314 -1.334 20 0 BAADRO C[NH2+]CCOCCNS(=O)(=O)C1COC1 ZINC000624396010 371499517 /nfs/dbraw/zinc/49/95/17/371499517.db2.gz YLZGBZGSRCMXPN-UHFFFAOYSA-N 1 0 238.309 -1.459 20 0 BAADRO C[NH2+]CCOCCN(C)S(=O)(=O)N(C)C ZINC000624396473 371499207 /nfs/dbraw/zinc/49/92/07/371499207.db2.gz SDGNBKFUYQCDJA-UHFFFAOYSA-N 1 0 239.341 -1.039 20 0 BAADRO CN(C[C@H]1COCCO1)c1nc(N)[nH+]c(N)n1 ZINC000624396510 371499128 /nfs/dbraw/zinc/49/91/28/371499128.db2.gz UWHNBNIZCNULDB-LURJTMIESA-N 1 0 240.267 -1.452 20 0 BAADRO CN(C[C@@H]1COCCO1)c1nc(N)[nH+]c(N)n1 ZINC000624396511 371499486 /nfs/dbraw/zinc/49/94/86/371499486.db2.gz UWHNBNIZCNULDB-ZCFIWIBFSA-N 1 0 240.267 -1.452 20 0 BAADRO CN(Cc1cn(C)nn1)c1nc(N)[nH+]c(N)n1 ZINC000624399172 343753559 /nfs/dbraw/zinc/75/35/59/343753559.db2.gz DBZJDRSFWFNHTL-UHFFFAOYSA-N 1 0 235.255 -1.538 20 0 BAADRO CN1CCN(c2nc(N)[nH+]c(N)n2)CCC1=O ZINC000624400217 343753983 /nfs/dbraw/zinc/75/39/83/343753983.db2.gz HRPRBUOPMDFTKY-UHFFFAOYSA-N 1 0 237.267 -1.635 20 0 BAADRO Nc1nc(NC[C@H](CO)CC2CC2)nc(N)[nH+]1 ZINC000624400648 343753931 /nfs/dbraw/zinc/75/39/31/343753931.db2.gz UOIXYORCLYPIIM-SSDOTTSWSA-N 1 0 238.295 -1.061 20 0 BAADRO Nc1nc(NC[C@@H](CO)CC2CC2)nc(N)[nH+]1 ZINC000624400649 343754164 /nfs/dbraw/zinc/75/41/64/343754164.db2.gz UOIXYORCLYPIIM-ZETCQYMHSA-N 1 0 238.295 -1.061 20 0 BAADRO Nc1nc(NC[C@@H]2CCC(=O)N2)nc(N)[nH+]1 ZINC000624401123 371500349 /nfs/dbraw/zinc/50/03/49/371500349.db2.gz KOOIVRWUOXZEGL-BYPYZUCNSA-N 1 0 223.240 -2.191 20 0 BAADRO Cc1cncc(CCNc2nc(N)[nH+]c(N)n2)n1 ZINC000624401142 371500778 /nfs/dbraw/zinc/50/07/78/371500778.db2.gz MKBYKLRZIGPQNM-UHFFFAOYSA-N 1 0 246.278 -1.128 20 0 BAADRO Nc1nc(N[C@H]2C[C@@H](O)C23CCC3)nc(N)[nH+]1 ZINC000624401245 371500642 /nfs/dbraw/zinc/50/06/42/371500642.db2.gz QREIOGACEMYHEO-NTSWFWBYSA-N 1 0 236.279 -1.166 20 0 BAADRO Nc1nc(N[C@@H]2C[C@@H](O)C23CCC3)nc(N)[nH+]1 ZINC000624401246 371500449 /nfs/dbraw/zinc/50/04/49/371500449.db2.gz QREIOGACEMYHEO-PHDIDXHHSA-N 1 0 236.279 -1.166 20 0 BAADRO Nc1nc(N[C@@H]2C[C@H](O)C23CCC3)nc(N)[nH+]1 ZINC000624401247 371500909 /nfs/dbraw/zinc/50/09/09/371500909.db2.gz QREIOGACEMYHEO-RITPCOANSA-N 1 0 236.279 -1.166 20 0 BAADRO Nc1nc(N[C@H]2C[C@H](O)C23CCC3)nc(N)[nH+]1 ZINC000624401248 371500864 /nfs/dbraw/zinc/50/08/64/371500864.db2.gz QREIOGACEMYHEO-WDSKDSINSA-N 1 0 236.279 -1.166 20 0 BAADRO CN(C)S(=O)(=O)NCCOCCC[NH3+] ZINC000624407579 343757529 /nfs/dbraw/zinc/75/75/29/343757529.db2.gz IXOIRFVXKWPNKC-UHFFFAOYSA-N 1 0 225.314 -1.252 20 0 BAADRO COCCS(=O)(=O)NCCOCCC[NH3+] ZINC000624407716 343757574 /nfs/dbraw/zinc/75/75/74/343757574.db2.gz OJGGVPRXXMSMPM-UHFFFAOYSA-N 1 0 240.325 -1.082 20 0 BAADRO C[C@@H]1CN(c2nc(N)[nH+]c(N)n2)C[C@H](C)[NH2+]1 ZINC000624407850 343757941 /nfs/dbraw/zinc/75/79/41/343757941.db2.gz VBVLVEYKFKGLIK-OLQVQODUSA-N 1 0 223.284 -1.117 20 0 BAADRO CCNS(=O)(=O)NCCOCCC[NH3+] ZINC000624407931 343757313 /nfs/dbraw/zinc/75/73/13/343757313.db2.gz YVIRMRVBLPILLO-UHFFFAOYSA-N 1 0 225.314 -1.204 20 0 BAADRO [NH3+]CCCOCCNS(=O)(=O)C1COC1 ZINC000624408756 343758605 /nfs/dbraw/zinc/75/86/05/343758605.db2.gz DKFSTENOEKKPLC-UHFFFAOYSA-N 1 0 238.309 -1.330 20 0 BAADRO CN(CCOCC[NH3+])S(=O)(=O)C1COC1 ZINC000624409068 343758378 /nfs/dbraw/zinc/75/83/78/343758378.db2.gz PJCCMMYAFXBTIF-UHFFFAOYSA-N 1 0 238.309 -1.378 20 0 BAADRO Nc1nc(N2CCC3(COC3)C2)nc(N)[nH+]1 ZINC000624409637 343759924 /nfs/dbraw/zinc/75/99/24/343759924.db2.gz JHRWJZHASQPBOJ-UHFFFAOYSA-N 1 0 222.252 -1.077 20 0 BAADRO CO[C@@]1(C)C[C@H]1Nc1nc(N)[nH+]c(N)n1 ZINC000624410416 343763731 /nfs/dbraw/zinc/76/37/31/343763731.db2.gz SSVLASWBBBILKS-VHWMUFPASA-N 1 0 210.241 -1.292 20 0 BAADRO Nc1nc(NCCOCCF)nc(N)[nH+]1 ZINC000624411105 343763419 /nfs/dbraw/zinc/76/34/19/343763419.db2.gz VGLYHAAKMGXNKG-UHFFFAOYSA-N 1 0 216.220 -1.483 20 0 BAADRO CCn1nccc1CNc1nc(N)[nH+]c(N)n1 ZINC000624411687 371502655 /nfs/dbraw/zinc/50/26/55/371502655.db2.gz PPOMGEBIFNUWCV-UHFFFAOYSA-N 1 0 234.267 -1.053 20 0 BAADRO CC(=O)N1CC[C@@H](Nc2nc(N)[nH+]c(N)n2)C1 ZINC000624413696 371502823 /nfs/dbraw/zinc/50/28/23/371502823.db2.gz OFMZJSPOSZZYJN-ZCFIWIBFSA-N 1 0 237.267 -1.849 20 0 BAADRO C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cnnn1C ZINC000624415288 343778424 /nfs/dbraw/zinc/77/84/24/343778424.db2.gz ZPWNLKFIMORFFW-NKWVEPMBSA-N 1 0 245.308 -1.156 20 0 BAADRO O=S(=O)(N[C@@H]1CC[NH2+]C1)N1CCCOCC1 ZINC000624416146 371504649 /nfs/dbraw/zinc/50/46/49/371504649.db2.gz FODVGMROSVKFOM-SECBINFHSA-N 1 0 249.336 -1.095 20 0 BAADRO CCn1nncc1CNc1nc(N)[nH+]c(N)n1 ZINC000624425411 398318529 /nfs/dbraw/zinc/31/85/29/398318529.db2.gz VDUHHRXRLXWSKH-UHFFFAOYSA-N 1 0 235.255 -1.658 20 0 BAADRO Nc1nc(NC[C@H](O)[C@H]2CCCO2)nc(N)[nH+]1 ZINC000624515522 371524719 /nfs/dbraw/zinc/52/47/19/371524719.db2.gz XSFBZGUGKDCRDF-NTSWFWBYSA-N 1 0 240.267 -1.930 20 0 BAADRO Nc1nc(NC[C@@H](O)[C@H]2CCCO2)nc(N)[nH+]1 ZINC000624515523 371524413 /nfs/dbraw/zinc/52/44/13/371524413.db2.gz XSFBZGUGKDCRDF-PHDIDXHHSA-N 1 0 240.267 -1.930 20 0 BAADRO Nc1nc(NC[C@@H](O)[C@@H]2CCCO2)nc(N)[nH+]1 ZINC000624515524 371525345 /nfs/dbraw/zinc/52/53/45/371525345.db2.gz XSFBZGUGKDCRDF-RITPCOANSA-N 1 0 240.267 -1.930 20 0 BAADRO Nc1nc(NC[C@H](O)[C@@H]2CCCO2)nc(N)[nH+]1 ZINC000624515525 371524373 /nfs/dbraw/zinc/52/43/73/371524373.db2.gz XSFBZGUGKDCRDF-WDSKDSINSA-N 1 0 240.267 -1.930 20 0 BAADRO NC(=O)[C@H]1C[C@H](Nc2nc(N)[nH+]c(N)n2)C1 ZINC000624542559 344004418 /nfs/dbraw/zinc/00/44/18/344004418.db2.gz OXIWLYRBFPUOHY-JPYJGEKTSA-N 1 0 223.240 -2.206 20 0 BAADRO CN1CCOC[C@@H]1CNc1nc(N)[nH+]c(N)n1 ZINC000624622207 344109653 /nfs/dbraw/zinc/10/96/53/344109653.db2.gz UBGIKWPHRWVPCS-LURJTMIESA-N 1 0 239.283 -2.139 20 0 BAADRO CN1CCOC[C@H]1CNc1nc(N)[nH+]c(N)n1 ZINC000624622208 344109930 /nfs/dbraw/zinc/10/99/30/344109930.db2.gz UBGIKWPHRWVPCS-ZCFIWIBFSA-N 1 0 239.283 -2.139 20 0 BAADRO Cn1[nH]cnc1=NC[C@@H]1COCCN1C ZINC000624622350 344110314 /nfs/dbraw/zinc/11/03/14/344110314.db2.gz WWVHKQGGNCYFIH-MRVPVSSYSA-N 1 0 211.269 -1.021 20 0 BAADRO Cn1[nH]cnc1=NC[C@H]1COCCN1C ZINC000624622351 344110034 /nfs/dbraw/zinc/11/00/34/344110034.db2.gz WWVHKQGGNCYFIH-QMMMGPOBSA-N 1 0 211.269 -1.021 20 0 BAADRO Nc1nc(NC[C@H]2C[C@@H](O)C2)nc(N)[nH+]1 ZINC000624667312 342814072 /nfs/dbraw/zinc/81/40/72/342814072.db2.gz LRTUKWAEMJMDJK-SYDPRGILSA-N 1 0 210.241 -1.699 20 0 BAADRO O[C@@H]1CC[N@H+](CCNc2nccn3nnnc23)C1 ZINC000624677263 342818138 /nfs/dbraw/zinc/81/81/38/342818138.db2.gz ARBQDQGUZJOTQE-MRVPVSSYSA-N 1 0 249.278 -1.002 20 0 BAADRO CN(c1nc(N)[nH+]c(N)n1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000624677747 342818175 /nfs/dbraw/zinc/81/81/75/342818175.db2.gz AYMSWVFVPMPGHJ-SYDPRGILSA-N 1 0 237.267 -1.603 20 0 BAADRO Cn1[nH]cnc1=NCC[N@@H+]1CC[C@@H](O)C1 ZINC000624679794 342818598 /nfs/dbraw/zinc/81/85/98/342818598.db2.gz MXMHLKLDNQVKDF-MRVPVSSYSA-N 1 0 211.269 -1.285 20 0 BAADRO CN(C[C@H]1C[C@@H](O)C1)c1nc(N)[nH+]c(N)n1 ZINC000624686839 342816248 /nfs/dbraw/zinc/81/62/48/342816248.db2.gz QQSYGPWHZZQSIB-OLQVQODUSA-N 1 0 224.268 -1.096 20 0 BAADRO CO[C@H]1C[C@H](Nc2nc(N)[nH+]c(N)n2)C1 ZINC000624725755 342822635 /nfs/dbraw/zinc/82/26/35/342822635.db2.gz KLFROHRGJFTRHZ-URHBZAFASA-N 1 0 210.241 -1.292 20 0 BAADRO CNC(=O)CNC(=O)NC[C@@H]1COCCN1C ZINC000624743242 342823566 /nfs/dbraw/zinc/82/35/66/342823566.db2.gz MDGPEHASCMNQIG-MRVPVSSYSA-N 1 0 244.295 -1.638 20 0 BAADRO CNC(=O)CNC(=O)NC[C@H]1COCCN1C ZINC000624743245 342823626 /nfs/dbraw/zinc/82/36/26/342823626.db2.gz MDGPEHASCMNQIG-QMMMGPOBSA-N 1 0 244.295 -1.638 20 0 BAADRO CO[C@H]1C[C@@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000624756988 342825299 /nfs/dbraw/zinc/82/52/99/342825299.db2.gz JNRKLQHNUMMOFZ-OLQVQODUSA-N 1 0 224.268 -1.044 20 0 BAADRO CN(CCNc1nc(N)[nH+]c(N)n1)CC(F)F ZINC000624763946 342827674 /nfs/dbraw/zinc/82/76/74/342827674.db2.gz ZOXRDRDZDKUIPH-UHFFFAOYSA-N 1 0 247.253 -1.273 20 0 BAADRO O[C@H]1CC[N@H+](CCNc2nccn3nnnc23)C1 ZINC000624772621 342827057 /nfs/dbraw/zinc/82/70/57/342827057.db2.gz ARBQDQGUZJOTQE-QMMMGPOBSA-N 1 0 249.278 -1.002 20 0 BAADRO Cn1[nH]cnc1=NCC[N@@H+]1CC[C@H](O)C1 ZINC000624776534 342828135 /nfs/dbraw/zinc/82/81/35/342828135.db2.gz MXMHLKLDNQVKDF-QMMMGPOBSA-N 1 0 211.269 -1.285 20 0 BAADRO OCC[NH+](CCO)C[C@@H](O)CC1(O)CCC1 ZINC000625137288 342888285 /nfs/dbraw/zinc/88/82/85/342888285.db2.gz YGGAWSSYUMLFBR-JTQLQIEISA-N 1 0 233.308 -1.061 20 0 BAADRO OCC[NH+](CCO)C[C@H](O)CC1(O)CCC1 ZINC000625137289 342888026 /nfs/dbraw/zinc/88/80/26/342888026.db2.gz YGGAWSSYUMLFBR-SNVBAGLBSA-N 1 0 233.308 -1.061 20 0 BAADRO CN1CCC[C@H]([NH+]2C[C@H](O)[C@@H](O)C2)C1=O ZINC000625712957 344051113 /nfs/dbraw/zinc/05/11/13/344051113.db2.gz DMPOFYOVGZVNID-CIUDSAMLSA-N 1 0 214.265 -1.355 20 0 BAADRO CN1CCC[C@@H]([NH+]2C[C@H](O)[C@@H](O)C2)C1=O ZINC000625712958 344051283 /nfs/dbraw/zinc/05/12/83/344051283.db2.gz DMPOFYOVGZVNID-VGMNWLOBSA-N 1 0 214.265 -1.355 20 0 BAADRO C[C@@H](CN1CCOCC1)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000625713058 344051583 /nfs/dbraw/zinc/05/15/83/344051583.db2.gz LBQGTCMVKFAABI-DCAQKATOSA-N 1 0 230.308 -1.256 20 0 BAADRO C[C@H]1CN(CC[NH+]2C[C@H](O)[C@@H](O)C2)CCO1 ZINC000625713233 344051517 /nfs/dbraw/zinc/05/15/17/344051517.db2.gz SNQXZMFNWGSRAS-DCAQKATOSA-N 1 0 230.308 -1.256 20 0 BAADRO CC(=O)[C@@](C)(O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000625713303 344051135 /nfs/dbraw/zinc/05/11/35/344051135.db2.gz WNAZXYJTYYBVFG-CIUDSAMLSA-N 1 0 203.238 -1.636 20 0 BAADRO CCOCC[C@@H](O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000625713318 344051092 /nfs/dbraw/zinc/05/10/92/344051092.db2.gz XXGDHAUNPWAHLF-UTLUCORTSA-N 1 0 219.281 -1.189 20 0 BAADRO COCC[N@H+](C)C[C@@H](O)CN1C[C@H](O)[C@@H](O)C1 ZINC000625713497 344051742 /nfs/dbraw/zinc/05/17/42/344051742.db2.gz GOOUPJHLONOXNS-VWYCJHECSA-N 1 0 248.323 -2.037 20 0 BAADRO C[N@H+](C[C@@H](O)CN1C[C@H](O)[C@@H](O)C1)C1CC1 ZINC000625713682 344051990 /nfs/dbraw/zinc/05/19/90/344051990.db2.gz QPJFSSMRPBZGBS-VWYCJHECSA-N 1 0 230.308 -1.521 20 0 BAADRO COC[C@H](C[NH+]1C[C@H](O)[C@@H](O)C1)OC ZINC000625713686 344051760 /nfs/dbraw/zinc/05/17/60/344051760.db2.gz QYMOKXRZNTZRRW-CIUDSAMLSA-N 1 0 205.254 -1.315 20 0 BAADRO COC[C@@H](C[NH+]1C[C@H](O)[C@@H](O)C1)OC ZINC000625713687 344052137 /nfs/dbraw/zinc/05/21/37/344052137.db2.gz QYMOKXRZNTZRRW-VGMNWLOBSA-N 1 0 205.254 -1.315 20 0 BAADRO CC(C)NC(=O)NCC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000625713825 344051699 /nfs/dbraw/zinc/05/16/99/344051699.db2.gz XEGJJDBDZLRJKY-IUCAKERBSA-N 1 0 231.296 -1.269 20 0 BAADRO Cn1[nH]cnc1=NC(=O)NCCOCCC[NH3+] ZINC000625871404 344251898 /nfs/dbraw/zinc/25/18/98/344251898.db2.gz GQTSAJMJQLHVQB-UHFFFAOYSA-N 1 0 242.283 -1.276 20 0 BAADRO Cn1[nH]cnc1=NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000625871604 344252049 /nfs/dbraw/zinc/25/20/49/344252049.db2.gz OUHBJTFGDBZVPN-ZCFIWIBFSA-N 1 0 210.241 -1.280 20 0 BAADRO C[NH2+]CCOCCNC(=O)N=c1nc[nH]n1C ZINC000625871672 344252836 /nfs/dbraw/zinc/25/28/36/344252836.db2.gz ROGLYVYOCVXXNR-UHFFFAOYSA-N 1 0 242.283 -1.406 20 0 BAADRO C[N@H+](CCCS(N)(=O)=O)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626037722 344688988 /nfs/dbraw/zinc/68/89/88/344688988.db2.gz AKIVHXFJXHBVPB-OCAPTIKFSA-N 1 0 249.336 -1.139 20 0 BAADRO C[N@H+](CCNS(C)(=O)=O)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626037977 344689734 /nfs/dbraw/zinc/68/97/34/344689734.db2.gz LVJDIKUOKDVTDF-OCAPTIKFSA-N 1 0 249.336 -1.269 20 0 BAADRO CN(Cc1nnn(C)n1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038790 344688650 /nfs/dbraw/zinc/68/86/50/344688650.db2.gz CFCVJDRKOZCMOY-KNVOCYPGSA-N 1 0 224.268 -1.094 20 0 BAADRO CNS(=O)(=O)CC[N@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626040166 344691104 /nfs/dbraw/zinc/69/11/04/344691104.db2.gz YOQNYUNXGYWKHB-OCAPTIKFSA-N 1 0 249.336 -1.269 20 0 BAADRO CN1CCOC[C@H]1CNC(=O)NCCO ZINC000626319063 350962740 /nfs/dbraw/zinc/96/27/40/350962740.db2.gz WPCSFAFWBJRLKR-MRVPVSSYSA-N 1 0 217.269 -1.392 20 0 BAADRO CN1CCOC[C@@H]1CNC(=O)NCCO ZINC000626319064 350962900 /nfs/dbraw/zinc/96/29/00/350962900.db2.gz WPCSFAFWBJRLKR-QMMMGPOBSA-N 1 0 217.269 -1.392 20 0 BAADRO C[C@@H](CO)NC(=O)NC[C@@H]1COCCN1C ZINC000626441245 356474071 /nfs/dbraw/zinc/47/40/71/356474071.db2.gz JZQXUAIVHBQWGP-DTWKUNHWSA-N 1 0 231.296 -1.003 20 0 BAADRO C[C@@H](CO)NC(=O)NC[C@H]1COCCN1C ZINC000626441246 356474309 /nfs/dbraw/zinc/47/43/09/356474309.db2.gz JZQXUAIVHBQWGP-IUCAKERBSA-N 1 0 231.296 -1.003 20 0 BAADRO C[NH2+]CCOCCNC(=O)NCC(=O)N(C)C ZINC000626923680 360511025 /nfs/dbraw/zinc/51/10/25/360511025.db2.gz RCFAXVNBUMVQHF-UHFFFAOYSA-N 1 0 246.311 -1.390 20 0 BAADRO CN(C)C(=O)CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000626923790 360514283 /nfs/dbraw/zinc/51/42/83/360514283.db2.gz VAFUMOZSGUJNGA-SSDOTTSWSA-N 1 0 214.269 -1.264 20 0 BAADRO CN(C)C(=O)CNC(=O)NCCOCCC[NH3+] ZINC000626923922 360513774 /nfs/dbraw/zinc/51/37/74/360513774.db2.gz ZQLCANZNYINWHH-UHFFFAOYSA-N 1 0 246.311 -1.261 20 0 BAADRO CN1CC[C@@H](NC(=O)N[C@@H]2CC[NH2+]C2)C1=O ZINC000626983532 363082457 /nfs/dbraw/zinc/08/24/57/363082457.db2.gz ODSITHIGOSGBJQ-HTQZYQBOSA-N 1 0 226.280 -1.122 20 0 BAADRO CN1CC[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)C1=O ZINC000626983533 363082637 /nfs/dbraw/zinc/08/26/37/363082637.db2.gz ODSITHIGOSGBJQ-SFYZADRCSA-N 1 0 226.280 -1.122 20 0 BAADRO CN1C[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)CC1=O ZINC000626995087 363097063 /nfs/dbraw/zinc/09/70/63/363097063.db2.gz NTGMMPIDFZLCLS-HTQZYQBOSA-N 1 0 226.280 -1.122 20 0 BAADRO CN1C[C@@H](NC(=O)N[C@@H]2CC[NH2+]C2)CC1=O ZINC000626995089 363096983 /nfs/dbraw/zinc/09/69/83/363096983.db2.gz NTGMMPIDFZLCLS-SFYZADRCSA-N 1 0 226.280 -1.122 20 0 BAADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1nnn(C)n1 ZINC000627020954 363117453 /nfs/dbraw/zinc/11/74/53/363117453.db2.gz IZBBCVSPZTVLRZ-NKWVEPMBSA-N 1 0 239.283 -1.240 20 0 BAADRO CN1CCOC[C@H]1CNC(=O)NCC[NH3+] ZINC000627065495 363191376 /nfs/dbraw/zinc/19/13/76/363191376.db2.gz BFVZSASTDCKNJX-MRVPVSSYSA-N 1 0 216.285 -1.425 20 0 BAADRO CN1CCOC[C@@H]1CNC(=O)NCC[NH3+] ZINC000627065498 363191917 /nfs/dbraw/zinc/19/19/17/363191917.db2.gz BFVZSASTDCKNJX-QMMMGPOBSA-N 1 0 216.285 -1.425 20 0 BAADRO CN(C(=O)NCC[NH3+])[C@H]1C[C@@H](C(N)=O)C1 ZINC000627065897 363193047 /nfs/dbraw/zinc/19/30/47/363193047.db2.gz GOIMRUNWOICPSV-KNVOCYPGSA-N 1 0 214.269 -1.150 20 0 BAADRO NC(=O)[C@H]1C[C@H](NC(=O)NCC[NH3+])C1 ZINC000627066634 363194137 /nfs/dbraw/zinc/19/41/37/363194137.db2.gz PVOGEOOEKMLHKG-IZLXSQMJSA-N 1 0 200.242 -1.492 20 0 BAADRO NC(=O)[C@H]1C[C@H](NC(=O)NCCC[NH3+])C1 ZINC000627068871 363200575 /nfs/dbraw/zinc/20/05/75/363200575.db2.gz NCGXNQCCBBLBDN-LJGSYFOKSA-N 1 0 214.269 -1.102 20 0 BAADRO [NH3+]CCCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627070645 363202466 /nfs/dbraw/zinc/20/24/66/363202466.db2.gz CYPXBWQWTLPPMH-MRVPVSSYSA-N 1 0 216.285 -1.377 20 0 BAADRO [NH3+]CCCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627070646 363201850 /nfs/dbraw/zinc/20/18/50/363201850.db2.gz CYPXBWQWTLPPMH-QMMMGPOBSA-N 1 0 216.285 -1.377 20 0 BAADRO C[NH2+]CCNC(=O)NC[C@@H]1COCCN1C ZINC000627071794 363202308 /nfs/dbraw/zinc/20/23/08/363202308.db2.gz KLKRBBBEHQBUKO-SECBINFHSA-N 1 0 230.312 -1.164 20 0 BAADRO C[NH2+]CCNC(=O)NC[C@H]1COCCN1C ZINC000627071795 363202399 /nfs/dbraw/zinc/20/23/99/363202399.db2.gz KLKRBBBEHQBUKO-VIFPVBQESA-N 1 0 230.312 -1.164 20 0 BAADRO CN1CCOC[C@H]1CNC(=O)NCCC[NH3+] ZINC000627071874 363202070 /nfs/dbraw/zinc/20/20/70/363202070.db2.gz WPFRGOOMAQRQRW-SECBINFHSA-N 1 0 230.312 -1.035 20 0 BAADRO CN1CCOC[C@@H]1CNC(=O)NCCC[NH3+] ZINC000627071875 363202383 /nfs/dbraw/zinc/20/23/83/363202383.db2.gz WPFRGOOMAQRQRW-VIFPVBQESA-N 1 0 230.312 -1.035 20 0 BAADRO C[NH2+]CCNC(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000627071981 363201799 /nfs/dbraw/zinc/20/17/99/363201799.db2.gz MSKPZFKUXHMMLF-LJGSYFOKSA-N 1 0 214.269 -1.231 20 0 BAADRO NC(=O)[C@H]1C[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627074915 363212561 /nfs/dbraw/zinc/21/25/61/363212561.db2.gz KWSSFJHPFYFSOS-BWZBUEFSSA-N 1 0 226.280 -1.089 20 0 BAADRO NC(=O)[C@H]1C[C@H](NC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000627074917 363212423 /nfs/dbraw/zinc/21/24/23/363212423.db2.gz KWSSFJHPFYFSOS-FXQIFTODSA-N 1 0 226.280 -1.089 20 0 BAADRO CN1CCOC[C@H]1CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627075986 363215652 /nfs/dbraw/zinc/21/56/52/363215652.db2.gz QWMPRPIFEXFCGR-NXEZZACHSA-N 1 0 242.323 -1.022 20 0 BAADRO CN1CCOC[C@@H]1CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000627075987 363215525 /nfs/dbraw/zinc/21/55/25/363215525.db2.gz QWMPRPIFEXFCGR-UWVGGRQHSA-N 1 0 242.323 -1.022 20 0 BAADRO CN1CCOC[C@H]1CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000627075988 363215378 /nfs/dbraw/zinc/21/53/78/363215378.db2.gz QWMPRPIFEXFCGR-VHSXEESVSA-N 1 0 242.323 -1.022 20 0 BAADRO CN1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627075989 363215281 /nfs/dbraw/zinc/21/52/81/363215281.db2.gz QWMPRPIFEXFCGR-ZJUUUORDSA-N 1 0 242.323 -1.022 20 0 BAADRO C[C@H](C[NH3+])NC(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000627085391 363236542 /nfs/dbraw/zinc/23/65/42/363236542.db2.gz YPNDBXSPLUENEU-FSDSQADBSA-N 1 0 214.269 -1.103 20 0 BAADRO C[C@H](C[NH3+])NC(=O)NC[C@H]1COCCN1C ZINC000627085472 363238946 /nfs/dbraw/zinc/23/89/46/363238946.db2.gz NGQBFPTUVRKHLV-BDAKNGLRSA-N 1 0 230.312 -1.037 20 0 BAADRO C[C@H](C[NH3+])NC(=O)NC[C@@H]1COCCN1C ZINC000627085473 363238503 /nfs/dbraw/zinc/23/85/03/363238503.db2.gz NGQBFPTUVRKHLV-RKDXNWHRSA-N 1 0 230.312 -1.037 20 0 BAADRO C[C@H]([NH3+])CNC(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000627087824 363239713 /nfs/dbraw/zinc/23/97/13/363239713.db2.gz CMTRHOMPXICCSV-ACZMJKKPSA-N 1 0 214.269 -1.103 20 0 BAADRO C[C@@H]([NH3+])CNC(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000627087825 363240298 /nfs/dbraw/zinc/24/02/98/363240298.db2.gz CMTRHOMPXICCSV-FSDSQADBSA-N 1 0 214.269 -1.103 20 0 BAADRO C[C@@H]([NH3+])CNC(=O)NC[C@H]1COCCN1C ZINC000627088123 363241624 /nfs/dbraw/zinc/24/16/24/363241624.db2.gz FXPPRZJAQCWGHO-BDAKNGLRSA-N 1 0 230.312 -1.037 20 0 BAADRO C[C@H]([NH3+])CNC(=O)NC[C@@H]1COCCN1C ZINC000627088124 363241105 /nfs/dbraw/zinc/24/11/05/363241105.db2.gz FXPPRZJAQCWGHO-DTWKUNHWSA-N 1 0 230.312 -1.037 20 0 BAADRO C[C@H]([NH3+])CNC(=O)NC[C@H]1COCCN1C ZINC000627088125 363241442 /nfs/dbraw/zinc/24/14/42/363241442.db2.gz FXPPRZJAQCWGHO-IUCAKERBSA-N 1 0 230.312 -1.037 20 0 BAADRO C[C@@H]([NH3+])CNC(=O)NC[C@@H]1COCCN1C ZINC000627088126 363241159 /nfs/dbraw/zinc/24/11/59/363241159.db2.gz FXPPRZJAQCWGHO-RKDXNWHRSA-N 1 0 230.312 -1.037 20 0 BAADRO C[C@@H]([NH3+])CNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627089761 363242106 /nfs/dbraw/zinc/24/21/06/363242106.db2.gz LWQOHQBYSMJCST-BDAKNGLRSA-N 1 0 230.312 -1.301 20 0 BAADRO C[C@H]([NH3+])CNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627089764 363242262 /nfs/dbraw/zinc/24/22/62/363242262.db2.gz LWQOHQBYSMJCST-IUCAKERBSA-N 1 0 230.312 -1.301 20 0 BAADRO NC(=O)[C@H]1C[C@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000627094539 363251841 /nfs/dbraw/zinc/25/18/41/363251841.db2.gz DUFKBZQTTIEPSV-ABRCCRIRSA-N 1 0 238.291 -1.233 20 0 BAADRO NC(=O)[C@H]1C[C@@H](NC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627109720 363269822 /nfs/dbraw/zinc/26/98/22/363269822.db2.gz KWSSFJHPFYFSOS-PRJMDXOYSA-N 1 0 226.280 -1.089 20 0 BAADRO NC(=O)[C@H]1C[C@H](NC(=O)N2CC[NH2+]CC2)C1 ZINC000627156219 363396693 /nfs/dbraw/zinc/39/66/93/363396693.db2.gz ACTZGBFNOZQMGH-ZKCHVHJHSA-N 1 0 226.280 -1.135 20 0 BAADRO CN(CC[NH3+])C(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000627156598 363397748 /nfs/dbraw/zinc/39/77/48/363397748.db2.gz GEVIYYNCNRRVEW-LJGSYFOKSA-N 1 0 214.269 -1.150 20 0 BAADRO NC(=O)[C@H]1C[C@H](NC(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000627156902 363397540 /nfs/dbraw/zinc/39/75/40/363397540.db2.gz LBFHWWVRDXQEQI-BWZBUEFSSA-N 1 0 226.280 -1.007 20 0 BAADRO NC(=O)[C@H]1C[C@H](NC(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000627156908 363397352 /nfs/dbraw/zinc/39/73/52/363397352.db2.gz LBFHWWVRDXQEQI-FXQIFTODSA-N 1 0 226.280 -1.007 20 0 BAADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC(CO)CO ZINC000627167109 363410933 /nfs/dbraw/zinc/41/09/33/363410933.db2.gz WOFDEMCLKIPPGV-DTWKUNHWSA-N 1 0 231.296 -1.221 20 0 BAADRO C[NH2+]CCOCCNC(=O)N[C@@H]1COC[C@H]1O ZINC000627172132 363420030 /nfs/dbraw/zinc/42/00/30/363420030.db2.gz SUYYQCOENFAKMK-RKDXNWHRSA-N 1 0 247.295 -1.719 20 0 BAADRO CC[C@@H](NC(=O)NCCOCC[NH2+]C)C(N)=O ZINC000627172135 363419559 /nfs/dbraw/zinc/41/95/59/363419559.db2.gz SWICJMYMVXTFRK-MRVPVSSYSA-N 1 0 246.311 -1.215 20 0 BAADRO C[NH2+]CCOCCNC(=O)N[C@H](C)CC(N)=O ZINC000627172310 363420952 /nfs/dbraw/zinc/42/09/52/363420952.db2.gz XLGHCIQQSVHCLL-MRVPVSSYSA-N 1 0 246.311 -1.215 20 0 BAADRO C[NH2+]CCOCCNC(=O)N[C@@H](C)CC(N)=O ZINC000627172311 363421126 /nfs/dbraw/zinc/42/11/26/363421126.db2.gz XLGHCIQQSVHCLL-QMMMGPOBSA-N 1 0 246.311 -1.215 20 0 BAADRO CNC(=O)[C@H](C)NC(=O)NCCOCC[NH2+]C ZINC000627172402 363421279 /nfs/dbraw/zinc/42/12/79/363421279.db2.gz YFONUHOOMZFDSC-QMMMGPOBSA-N 1 0 246.311 -1.344 20 0 BAADRO C[NH2+]CCOCCNC(=O)N[C@@H](CO)COC ZINC000627172422 363421559 /nfs/dbraw/zinc/42/15/59/363421559.db2.gz YUHQUYMMEJERQD-VIFPVBQESA-N 1 0 249.311 -1.471 20 0 BAADRO C[NH2+]CCOCCNC(=O)NC[C@@H](C)O ZINC000627173335 363422608 /nfs/dbraw/zinc/42/26/08/363422608.db2.gz VFTKQQQKKCDZAC-MRVPVSSYSA-N 1 0 219.285 -1.098 20 0 BAADRO C[NH2+]CCOCCNC(=O)N[C@H](CO)COC ZINC000627173493 363422207 /nfs/dbraw/zinc/42/22/07/363422207.db2.gz YUHQUYMMEJERQD-SECBINFHSA-N 1 0 249.311 -1.471 20 0 BAADRO C[NH2+]CCOCCNC(=O)N(C)CCO ZINC000627173569 363422539 /nfs/dbraw/zinc/42/25/39/363422539.db2.gz BBHHCQOFGSHVGA-UHFFFAOYSA-N 1 0 219.285 -1.144 20 0 BAADRO C[NH2+]CCOCCNC(=O)N[C@@H](C)CO ZINC000627174274 363422353 /nfs/dbraw/zinc/42/23/53/363422353.db2.gz JPSUJYFQIUHOAC-QMMMGPOBSA-N 1 0 219.285 -1.098 20 0 BAADRO C[NH2+]CCOCCNC(=O)NC[C@H](C)O ZINC000627175075 363422180 /nfs/dbraw/zinc/42/21/80/363422180.db2.gz VFTKQQQKKCDZAC-QMMMGPOBSA-N 1 0 219.285 -1.098 20 0 BAADRO C[NH2+]CCOCCNC(=O)N[C@H](C)CO ZINC000627176111 363422506 /nfs/dbraw/zinc/42/25/06/363422506.db2.gz JPSUJYFQIUHOAC-MRVPVSSYSA-N 1 0 219.285 -1.098 20 0 BAADRO C[NH2+]CCOCCNC(=O)N1CCNC(=O)C1 ZINC000627177809 363424973 /nfs/dbraw/zinc/42/49/73/363424973.db2.gz RWAJZSWZJMCRAR-UHFFFAOYSA-N 1 0 244.295 -1.636 20 0 BAADRO CN(CC[NH3+])C(=O)NC[C@@H]1COCCN1C ZINC000627182511 363434951 /nfs/dbraw/zinc/43/49/51/363434951.db2.gz FMRVNIPATUZPJG-SECBINFHSA-N 1 0 230.312 -1.083 20 0 BAADRO CN(CC[NH3+])C(=O)NC[C@H]1COCCN1C ZINC000627182512 363434675 /nfs/dbraw/zinc/43/46/75/363434675.db2.gz FMRVNIPATUZPJG-VIFPVBQESA-N 1 0 230.312 -1.083 20 0 BAADRO COCCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627183883 363435796 /nfs/dbraw/zinc/43/57/96/363435796.db2.gz ZONKYVUBZIUAQN-MRVPVSSYSA-N 1 0 217.269 -1.080 20 0 BAADRO COCCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627183888 363436332 /nfs/dbraw/zinc/43/63/32/363436332.db2.gz ZONKYVUBZIUAQN-QMMMGPOBSA-N 1 0 217.269 -1.080 20 0 BAADRO C[C@H](CO)NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627185713 363440722 /nfs/dbraw/zinc/44/07/22/363440722.db2.gz BPXUJNOAOUZFQN-HTQZYQBOSA-N 1 0 217.269 -1.345 20 0 BAADRO C[C@@H](CO)NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627185714 363441251 /nfs/dbraw/zinc/44/12/51/363441251.db2.gz BPXUJNOAOUZFQN-JGVFFNPUSA-N 1 0 217.269 -1.345 20 0 BAADRO C[C@H](CO)NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627185715 363440903 /nfs/dbraw/zinc/44/09/03/363440903.db2.gz BPXUJNOAOUZFQN-SFYZADRCSA-N 1 0 217.269 -1.345 20 0 BAADRO C[C@@H](CO)NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627185716 363441284 /nfs/dbraw/zinc/44/12/84/363441284.db2.gz BPXUJNOAOUZFQN-YUMQZZPRSA-N 1 0 217.269 -1.345 20 0 BAADRO C[C@@H](O)CN(C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627187481 363443538 /nfs/dbraw/zinc/44/35/38/363443538.db2.gz CVTCARQFQUOUDC-BDAKNGLRSA-N 1 0 231.296 -1.003 20 0 BAADRO C[C@H](O)CN(C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627187482 363443420 /nfs/dbraw/zinc/44/34/20/363443420.db2.gz CVTCARQFQUOUDC-DTWKUNHWSA-N 1 0 231.296 -1.003 20 0 BAADRO C[C@H](O)CN(C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627187483 363444107 /nfs/dbraw/zinc/44/41/07/363444107.db2.gz CVTCARQFQUOUDC-IUCAKERBSA-N 1 0 231.296 -1.003 20 0 BAADRO C[C@@H](O)CN(C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627187484 363443529 /nfs/dbraw/zinc/44/35/29/363443529.db2.gz CVTCARQFQUOUDC-RKDXNWHRSA-N 1 0 231.296 -1.003 20 0 BAADRO CC[C@@H](NC(=O)NC[C@@H]1COCC[NH2+]1)C(N)=O ZINC000627189028 363447155 /nfs/dbraw/zinc/44/71/55/363447155.db2.gz KUCQACFKDGYISZ-HTQZYQBOSA-N 1 0 244.295 -1.462 20 0 BAADRO CC[C@@H](NC(=O)NC[C@H]1COCC[NH2+]1)C(N)=O ZINC000627189030 363446314 /nfs/dbraw/zinc/44/63/14/363446314.db2.gz KUCQACFKDGYISZ-JGVFFNPUSA-N 1 0 244.295 -1.462 20 0 BAADRO C[C@H](CO)N(C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627189527 363446130 /nfs/dbraw/zinc/44/61/30/363446130.db2.gz UEIFDUAQSRBJBH-BDAKNGLRSA-N 1 0 231.296 -1.003 20 0 BAADRO C[C@@H](CO)N(C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627189528 363447115 /nfs/dbraw/zinc/44/71/15/363447115.db2.gz UEIFDUAQSRBJBH-DTWKUNHWSA-N 1 0 231.296 -1.003 20 0 BAADRO C[C@@H](CO)N(C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627189529 363447030 /nfs/dbraw/zinc/44/70/30/363447030.db2.gz UEIFDUAQSRBJBH-IUCAKERBSA-N 1 0 231.296 -1.003 20 0 BAADRO C[C@H](CO)N(C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627189530 363446400 /nfs/dbraw/zinc/44/64/00/363446400.db2.gz UEIFDUAQSRBJBH-RKDXNWHRSA-N 1 0 231.296 -1.003 20 0 BAADRO C[C@H](O)CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627189859 363448171 /nfs/dbraw/zinc/44/81/71/363448171.db2.gz LHWRUDUEVTWTEO-JGVFFNPUSA-N 1 0 217.269 -1.345 20 0 BAADRO C[C@H](O)CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627189860 363448653 /nfs/dbraw/zinc/44/86/53/363448653.db2.gz LHWRUDUEVTWTEO-YUMQZZPRSA-N 1 0 217.269 -1.345 20 0 BAADRO C[C@@H]1CC[C@@H](NC(=O)NC(CO)CO)C[NH2+]1 ZINC000627198341 363496298 /nfs/dbraw/zinc/49/62/98/363496298.db2.gz KKMFSISYENJOMM-HTQZYQBOSA-N 1 0 231.296 -1.221 20 0 BAADRO C[C@H]1CC[C@@H](NC(=O)NC(CO)CO)C[NH2+]1 ZINC000627198343 363497035 /nfs/dbraw/zinc/49/70/35/363497035.db2.gz KKMFSISYENJOMM-JGVFFNPUSA-N 1 0 231.296 -1.221 20 0 BAADRO C[C@@H]1CC[C@H](NC(=O)NC(CO)CO)C[NH2+]1 ZINC000627198345 363497028 /nfs/dbraw/zinc/49/70/28/363497028.db2.gz KKMFSISYENJOMM-SFYZADRCSA-N 1 0 231.296 -1.221 20 0 BAADRO C[C@H]1CC[C@H](NC(=O)NC(CO)CO)C[NH2+]1 ZINC000627198347 363496526 /nfs/dbraw/zinc/49/65/26/363496526.db2.gz KKMFSISYENJOMM-YUMQZZPRSA-N 1 0 231.296 -1.221 20 0 BAADRO [NH3+]CCCOCCNC(=O)N1CCNC(=O)C1 ZINC000627211929 363508037 /nfs/dbraw/zinc/50/80/37/363508037.db2.gz GHNHLIAQFDCYDP-UHFFFAOYSA-N 1 0 244.295 -1.507 20 0 BAADRO C[C@H](CC(N)=O)NC(=O)NCCOCCC[NH3+] ZINC000627214278 363511138 /nfs/dbraw/zinc/51/11/38/363511138.db2.gz HVKCSIKAYIZHQQ-MRVPVSSYSA-N 1 0 246.311 -1.085 20 0 BAADRO C[C@@H](CC(N)=O)NC(=O)NCCOCCC[NH3+] ZINC000627214279 363511299 /nfs/dbraw/zinc/51/12/99/363511299.db2.gz HVKCSIKAYIZHQQ-QMMMGPOBSA-N 1 0 246.311 -1.085 20 0 BAADRO CN(CCO)C(=O)NCCOCCC[NH3+] ZINC000627216877 363515990 /nfs/dbraw/zinc/51/59/90/363515990.db2.gz XWXVXKWXEXAZDL-UHFFFAOYSA-N 1 0 219.285 -1.015 20 0 BAADRO COC[C@@H](CO)NC(=O)NCCOCCC[NH3+] ZINC000627217971 363517484 /nfs/dbraw/zinc/51/74/84/363517484.db2.gz YNJHWFVQWJFUNB-SECBINFHSA-N 1 0 249.311 -1.342 20 0 BAADRO COC[C@H](CO)NC(=O)NCCOCCC[NH3+] ZINC000627217999 363517575 /nfs/dbraw/zinc/51/75/75/363517575.db2.gz YNJHWFVQWJFUNB-VIFPVBQESA-N 1 0 249.311 -1.342 20 0 BAADRO [NH3+]CCCOCCNC(=O)N[C@@H]1COC[C@H]1O ZINC000627219234 363517003 /nfs/dbraw/zinc/51/70/03/363517003.db2.gz ACCDBZINTYBRST-RKDXNWHRSA-N 1 0 247.295 -1.589 20 0 BAADRO CNC(=O)[C@H](C)NC(=O)NCCOCCC[NH3+] ZINC000627220791 363517995 /nfs/dbraw/zinc/51/79/95/363517995.db2.gz SSASDULETCNAPA-QMMMGPOBSA-N 1 0 246.311 -1.215 20 0 BAADRO CC[C@@H](NC(=O)NCCOCCC[NH3+])C(N)=O ZINC000627220910 363518081 /nfs/dbraw/zinc/51/80/81/363518081.db2.gz VKVIKDSXYOTUIE-MRVPVSSYSA-N 1 0 246.311 -1.085 20 0 BAADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCNC(=O)C1 ZINC000627237401 363766511 /nfs/dbraw/zinc/76/65/11/363766511.db2.gz MOJJBVAXPUHOEV-JGVFFNPUSA-N 1 0 226.280 -1.122 20 0 BAADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC(CO)CO ZINC000627240809 363806124 /nfs/dbraw/zinc/80/61/24/363806124.db2.gz YNJSXDNCWVVORK-POYBYMJQSA-N 1 0 217.269 -1.611 20 0 BAADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@@H](O)C[C@H]1CO ZINC000627242134 363832167 /nfs/dbraw/zinc/83/21/67/363832167.db2.gz NKUCNSFCMBFPQV-AATLWQCWSA-N 1 0 243.307 -1.126 20 0 BAADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@H](O)C[C@H]1CO ZINC000627242135 363831655 /nfs/dbraw/zinc/83/16/55/363831655.db2.gz NKUCNSFCMBFPQV-AXTSPUMRSA-N 1 0 243.307 -1.126 20 0 BAADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@@H](O)C[C@@H]1CO ZINC000627242136 363831997 /nfs/dbraw/zinc/83/19/97/363831997.db2.gz NKUCNSFCMBFPQV-QCLAVDOMSA-N 1 0 243.307 -1.126 20 0 BAADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@H](O)C[C@@H]1CO ZINC000627242137 363831903 /nfs/dbraw/zinc/83/19/03/363831903.db2.gz NKUCNSFCMBFPQV-SGIHWFKDSA-N 1 0 243.307 -1.126 20 0 BAADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1COC[C@H]1O ZINC000627245656 363849390 /nfs/dbraw/zinc/84/93/90/363849390.db2.gz ITAHNPXKYCGMIG-JQCXWYLXSA-N 1 0 229.280 -1.204 20 0 BAADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCNC1=O ZINC000627245901 363849544 /nfs/dbraw/zinc/84/95/44/363849544.db2.gz VLVFYJVZFFRFTD-RNJXMRFFSA-N 1 0 226.280 -1.076 20 0 BAADRO O=C(N[C@@H]1CC[NH2+]C1)N1CCNC(=O)C1 ZINC000627247635 363853944 /nfs/dbraw/zinc/85/39/44/363853944.db2.gz DSNHBJKQEDKBLL-SSDOTTSWSA-N 1 0 212.253 -1.510 20 0 BAADRO C[C@@H]1C(=O)NCCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627248521 363857238 /nfs/dbraw/zinc/85/72/38/363857238.db2.gz MMHSBHMIIASPLU-HTQZYQBOSA-N 1 0 226.280 -1.122 20 0 BAADRO C[C@H]1C(=O)NCCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627248522 363856907 /nfs/dbraw/zinc/85/69/07/363856907.db2.gz MMHSBHMIIASPLU-JGVFFNPUSA-N 1 0 226.280 -1.122 20 0 BAADRO O=C(N[C@@H]1CC[NH2+]C1)N1CCNC(=O)CC1 ZINC000627248523 363856833 /nfs/dbraw/zinc/85/68/33/363856833.db2.gz MNAPZLDXFRASOQ-MRVPVSSYSA-N 1 0 226.280 -1.120 20 0 BAADRO CN1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1=O ZINC000627249129 363860306 /nfs/dbraw/zinc/86/03/06/363860306.db2.gz UJGAJJWRDJIDRK-MRVPVSSYSA-N 1 0 226.280 -1.168 20 0 BAADRO CN(CCOCCO)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627250988 363870442 /nfs/dbraw/zinc/87/04/42/363870442.db2.gz PDZTVQJDTLJVML-SECBINFHSA-N 1 0 231.296 -1.001 20 0 BAADRO COC[C@@H](CO)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627251112 363870819 /nfs/dbraw/zinc/87/08/19/363870819.db2.gz VUDJWMNRRVUORD-HTQZYQBOSA-N 1 0 217.269 -1.345 20 0 BAADRO COC[C@H](CO)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627251113 363870385 /nfs/dbraw/zinc/87/03/85/363870385.db2.gz VUDJWMNRRVUORD-SFYZADRCSA-N 1 0 217.269 -1.345 20 0 BAADRO CC[C@@H](NC(=O)N[C@@H]1CC[NH2+]C1)C(N)=O ZINC000627251434 363873021 /nfs/dbraw/zinc/87/30/21/363873021.db2.gz KSQZFIZMJGRQEH-RNFRBKRXSA-N 1 0 214.269 -1.089 20 0 BAADRO O=C(N[C@@H]1CC[NH2+]C1)N[C@H]1CCCNC1=O ZINC000627251593 363875608 /nfs/dbraw/zinc/87/56/08/363875608.db2.gz RRLPORQHHFYQQK-SFYZADRCSA-N 1 0 226.280 -1.074 20 0 BAADRO O=C(N[C@@H]1CC[NH2+]C1)N[C@@H]1COC[C@H]1O ZINC000627252096 363877103 /nfs/dbraw/zinc/87/71/03/363877103.db2.gz KOCKIRNZSUHWQV-BWZBUEFSSA-N 1 0 215.253 -1.593 20 0 BAADRO C[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)CC(=O)N1 ZINC000627252171 363877104 /nfs/dbraw/zinc/87/71/04/363877104.db2.gz NFLOOTSJXVETOB-HTQZYQBOSA-N 1 0 226.280 -1.122 20 0 BAADRO C[C@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)CC(=O)N1 ZINC000627252172 363877118 /nfs/dbraw/zinc/87/71/18/363877118.db2.gz NFLOOTSJXVETOB-JGVFFNPUSA-N 1 0 226.280 -1.122 20 0 BAADRO O=C(N[C@@H]1CC[NH2+]C1)N1CCC[C@@](O)(CO)C1 ZINC000627252337 363878936 /nfs/dbraw/zinc/87/89/36/363878936.db2.gz QZMYPXOJYNDQLH-KOLCDFICSA-N 1 0 243.307 -1.123 20 0 BAADRO O=C(N[C@@H]1CC[NH2+]C1)N1CCC[C@](O)(CO)C1 ZINC000627252338 363878482 /nfs/dbraw/zinc/87/84/82/363878482.db2.gz QZMYPXOJYNDQLH-MWLCHTKSSA-N 1 0 243.307 -1.123 20 0 BAADRO O=C(N[C@@H]1CC[NH2+]C1)N1CCOC2(C[NH2+]C2)C1 ZINC000627252477 363878817 /nfs/dbraw/zinc/87/88/17/363878817.db2.gz VVBDWZNNHSLJGM-SECBINFHSA-N 1 0 240.307 -1.268 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)c1cc(=O)[nH]cn1 ZINC000627275416 364671380 /nfs/dbraw/zinc/67/13/80/364671380.db2.gz JTJLXHQLSLBWOT-SSDOTTSWSA-N 1 0 240.263 -1.166 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)c1cc(=O)[nH]cn1 ZINC000627275417 364671279 /nfs/dbraw/zinc/67/12/79/364671279.db2.gz JTJLXHQLSLBWOT-ZETCQYMHSA-N 1 0 240.263 -1.166 20 0 BAADRO O=C(NCC1CC1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627286242 368399644 /nfs/dbraw/zinc/39/96/44/368399644.db2.gz HCLWWHDXNODIEF-SECBINFHSA-N 1 0 241.291 -1.383 20 0 BAADRO O=C(NCC1CC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627286243 368399083 /nfs/dbraw/zinc/39/90/83/368399083.db2.gz HCLWWHDXNODIEF-VIFPVBQESA-N 1 0 241.291 -1.383 20 0 BAADRO C[NH2+]CCOCCNC(=O)C(=O)NCC1CC1 ZINC000627286270 491097283 /nfs/dbraw/zinc/09/72/83/491097283.db2.gz IBCIYVXEOYQZMB-UHFFFAOYSA-N 1 0 243.307 -1.135 20 0 BAADRO [NH3+]CCCOCCNC(=O)C(=O)NCC1CC1 ZINC000627286329 368406162 /nfs/dbraw/zinc/40/61/62/368406162.db2.gz JYHIUHMKSATEFG-UHFFFAOYSA-N 1 0 243.307 -1.006 20 0 BAADRO CN(CCOCC[NH3+])C(=O)C(=O)NCC1CC1 ZINC000627286679 398275987 /nfs/dbraw/zinc/27/59/87/398275987.db2.gz VWDXOHWWRVGUPR-UHFFFAOYSA-N 1 0 243.307 -1.054 20 0 BAADRO O=C(NCC1CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627286794 368432859 /nfs/dbraw/zinc/43/28/59/368432859.db2.gz YXDHFBDTGHTJOQ-MRVPVSSYSA-N 1 0 211.265 -1.009 20 0 BAADRO COC[C@@H](C)CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627325427 370416550 /nfs/dbraw/zinc/41/65/50/370416550.db2.gz JKLZLDKUXQFIKC-DTWKUNHWSA-N 1 0 243.307 -1.137 20 0 BAADRO COC[C@H](C)CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627325428 370416656 /nfs/dbraw/zinc/41/66/56/370416656.db2.gz JKLZLDKUXQFIKC-RKDXNWHRSA-N 1 0 243.307 -1.137 20 0 BAADRO CCOCCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627331512 370470457 /nfs/dbraw/zinc/47/04/57/370470457.db2.gz ZFSDDCBCKDBHFK-MRVPVSSYSA-N 1 0 229.280 -1.383 20 0 BAADRO CCOCCNC(=O)C(=O)N(CC)CC[NH3+] ZINC000627331529 370472074 /nfs/dbraw/zinc/47/20/74/370472074.db2.gz ZTSXZADZFFEZAE-UHFFFAOYSA-N 1 0 231.296 -1.054 20 0 BAADRO CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCOC1 ZINC000627367051 371585831 /nfs/dbraw/zinc/58/58/31/371585831.db2.gz JCGWAPZIERMVFF-MRVPVSSYSA-N 1 0 229.280 -1.301 20 0 BAADRO CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CCOC1 ZINC000627367052 371585630 /nfs/dbraw/zinc/58/56/30/371585630.db2.gz JCGWAPZIERMVFF-QMMMGPOBSA-N 1 0 229.280 -1.301 20 0 BAADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CCOC1 ZINC000627367510 371586249 /nfs/dbraw/zinc/58/62/49/371586249.db2.gz WIQUNQPKTTZNSK-DJLDLDEBSA-N 1 0 241.291 -1.242 20 0 BAADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CCOC1 ZINC000627367511 371584693 /nfs/dbraw/zinc/58/46/93/371584693.db2.gz WIQUNQPKTTZNSK-XHNCKOQMSA-N 1 0 241.291 -1.242 20 0 BAADRO CC(C)(O)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627367894 371584444 /nfs/dbraw/zinc/58/44/44/371584444.db2.gz GWPHTNOUIOHHGQ-MRVPVSSYSA-N 1 0 243.307 -1.258 20 0 BAADRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)NC1CCC1 ZINC000627377671 371593822 /nfs/dbraw/zinc/59/38/22/371593822.db2.gz PVRWYGOZWIOYRI-SECBINFHSA-N 1 0 241.291 -1.240 20 0 BAADRO O=C(NC[C@H]1COCC[NH2+]1)C(=O)NC1CCC1 ZINC000627377672 371594099 /nfs/dbraw/zinc/59/40/99/371594099.db2.gz PVRWYGOZWIOYRI-VIFPVBQESA-N 1 0 241.291 -1.240 20 0 BAADRO O=C(NC[C@@H]1CCCO1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627389633 371597679 /nfs/dbraw/zinc/59/76/79/371597679.db2.gz KQLMHBJEJCOGBQ-BDAKNGLRSA-N 1 0 241.291 -1.240 20 0 BAADRO O=C(NC[C@H]1CCCO1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627389634 371598410 /nfs/dbraw/zinc/59/84/10/371598410.db2.gz KQLMHBJEJCOGBQ-RKDXNWHRSA-N 1 0 241.291 -1.240 20 0 BAADRO CCN(CC[NH3+])C(=O)C(=O)NCCCOC ZINC000627390503 371598264 /nfs/dbraw/zinc/59/82/64/371598264.db2.gz NTFRJCVAVJGINK-UHFFFAOYSA-N 1 0 231.296 -1.054 20 0 BAADRO COCCCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627390838 371597821 /nfs/dbraw/zinc/59/78/21/371597821.db2.gz ZLBCFHIEENEKOG-MRVPVSSYSA-N 1 0 229.280 -1.383 20 0 BAADRO COC[C@H]1CCCN1C(=O)C(=O)NCC[NH3+] ZINC000627398965 371600725 /nfs/dbraw/zinc/60/07/25/371600725.db2.gz AHYQJTVHQHQWIY-MRVPVSSYSA-N 1 0 229.280 -1.301 20 0 BAADRO COC[C@@H]1CCCN1C(=O)C(=O)NCC[NH3+] ZINC000627398966 371601424 /nfs/dbraw/zinc/60/14/24/371601424.db2.gz AHYQJTVHQHQWIY-QMMMGPOBSA-N 1 0 229.280 -1.301 20 0 BAADRO [NH3+]CCNC(=O)C(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000627399536 371601502 /nfs/dbraw/zinc/60/15/02/371601502.db2.gz VDEHLSAWDSWQPI-BDAKNGLRSA-N 1 0 241.291 -1.255 20 0 BAADRO [NH3+]CCNC(=O)C(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000627399537 371601774 /nfs/dbraw/zinc/60/17/74/371601774.db2.gz VDEHLSAWDSWQPI-DTWKUNHWSA-N 1 0 241.291 -1.255 20 0 BAADRO [NH3+]CCNC(=O)C(=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000627399538 371600707 /nfs/dbraw/zinc/60/07/07/371600707.db2.gz VDEHLSAWDSWQPI-IUCAKERBSA-N 1 0 241.291 -1.255 20 0 BAADRO [NH3+]CCNC(=O)C(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000627399539 371601017 /nfs/dbraw/zinc/60/10/17/371601017.db2.gz VDEHLSAWDSWQPI-RKDXNWHRSA-N 1 0 241.291 -1.255 20 0 BAADRO [NH3+]CCNC(=O)C(=O)N1CCO[C@H](CCF)C1 ZINC000627399686 371600842 /nfs/dbraw/zinc/60/08/42/371600842.db2.gz ZFDUBVOQQJKKJA-MRVPVSSYSA-N 1 0 247.270 -1.352 20 0 BAADRO [NH3+]CCNC(=O)C(=O)N1CCO[C@@H](CCF)C1 ZINC000627399687 371601342 /nfs/dbraw/zinc/60/13/42/371601342.db2.gz ZFDUBVOQQJKKJA-QMMMGPOBSA-N 1 0 247.270 -1.352 20 0 BAADRO C[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]1COC ZINC000627404993 371602662 /nfs/dbraw/zinc/60/26/62/371602662.db2.gz RZLSRPMUJPKNPP-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO C[NH2+]CCNC(=O)C(=O)N1CCC[C@H]1COC ZINC000627404994 371603409 /nfs/dbraw/zinc/60/34/09/371603409.db2.gz RZLSRPMUJPKNPP-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO C[NH2+]CCOCCNC(=O)C(=O)N1CCCC1 ZINC000627462701 371636242 /nfs/dbraw/zinc/63/62/42/371636242.db2.gz BAUUMVXORHLVOL-UHFFFAOYSA-N 1 0 243.307 -1.039 20 0 BAADRO C[NH2+]CCOCCNC(=O)C(=O)N(C)C1CC1 ZINC000627464125 371636167 /nfs/dbraw/zinc/63/61/67/371636167.db2.gz RCXIHAJDHQIBPI-UHFFFAOYSA-N 1 0 243.307 -1.041 20 0 BAADRO CCCN(C)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627469843 371641341 /nfs/dbraw/zinc/64/13/41/371641341.db2.gz GAKZOLCQVZJXDN-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO CCCN(C)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627469844 371641266 /nfs/dbraw/zinc/64/12/66/371641266.db2.gz GAKZOLCQVZJXDN-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CCCC1 ZINC000627473677 371642749 /nfs/dbraw/zinc/64/27/49/371642749.db2.gz SSJQVWJLQFVCNT-SECBINFHSA-N 1 0 241.291 -1.287 20 0 BAADRO O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CCCC1 ZINC000627473678 371643241 /nfs/dbraw/zinc/64/32/41/371643241.db2.gz SSJQVWJLQFVCNT-VIFPVBQESA-N 1 0 241.291 -1.287 20 0 BAADRO CC(C)N(C)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627474006 371642676 /nfs/dbraw/zinc/64/26/76/371642676.db2.gz BNXUPUWBRQSGHV-SECBINFHSA-N 1 0 243.307 -1.042 20 0 BAADRO CC(C)N(C)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627474007 371642233 /nfs/dbraw/zinc/64/22/33/371642233.db2.gz BNXUPUWBRQSGHV-VIFPVBQESA-N 1 0 243.307 -1.042 20 0 BAADRO COCCN(C)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627499114 371664094 /nfs/dbraw/zinc/66/40/94/371664094.db2.gz ZXKNBZFQPWSKBX-DTWKUNHWSA-N 1 0 243.307 -1.042 20 0 BAADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCOCC1 ZINC000627503615 371665667 /nfs/dbraw/zinc/66/56/67/371665667.db2.gz UTLDKVSMSNTJRT-DTWKUNHWSA-N 1 0 241.291 -1.288 20 0 BAADRO COCCN(C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627503868 371665858 /nfs/dbraw/zinc/66/58/58/371665858.db2.gz GZUFWOSTXZSRDT-MRVPVSSYSA-N 1 0 229.280 -1.431 20 0 BAADRO COCCCN(C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627503955 371666552 /nfs/dbraw/zinc/66/65/52/371666552.db2.gz MNFKBJJYNRONOS-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO CN(C(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@H]1CCOC1 ZINC000627504042 371666110 /nfs/dbraw/zinc/66/61/10/371666110.db2.gz RLPMBQZDUHBDLH-BDAKNGLRSA-N 1 0 241.291 -1.288 20 0 BAADRO CN(C(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1CCOC1 ZINC000627504043 371665894 /nfs/dbraw/zinc/66/58/94/371665894.db2.gz RLPMBQZDUHBDLH-RKDXNWHRSA-N 1 0 241.291 -1.288 20 0 BAADRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@H]1CO ZINC000627504181 371666259 /nfs/dbraw/zinc/66/62/59/371666259.db2.gz APKMDGLQYSYQJX-BDAKNGLRSA-N 1 0 241.291 -1.552 20 0 BAADRO C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CCO1 ZINC000627504785 371667924 /nfs/dbraw/zinc/66/79/24/371667924.db2.gz GSTSRTJSQBMDBJ-DTWKUNHWSA-N 1 0 241.291 -1.288 20 0 BAADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CCO1 ZINC000627504786 371667707 /nfs/dbraw/zinc/66/77/07/371667707.db2.gz GSTSRTJSQBMDBJ-RKDXNWHRSA-N 1 0 241.291 -1.288 20 0 BAADRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCCOCC1 ZINC000627505057 371667877 /nfs/dbraw/zinc/66/78/77/371667877.db2.gz ULJAAEKJQWASQY-SECBINFHSA-N 1 0 241.291 -1.287 20 0 BAADRO CN(CC(C)(C)O)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627505728 371667818 /nfs/dbraw/zinc/66/78/18/371667818.db2.gz BZEDSIIGIQLTGZ-MRVPVSSYSA-N 1 0 243.307 -1.306 20 0 BAADRO CCN(CCCO)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627506042 371667697 /nfs/dbraw/zinc/66/76/97/371667697.db2.gz VYGKWVFBYZUGNC-SECBINFHSA-N 1 0 243.307 -1.305 20 0 BAADRO C[C@H](O)CCN(C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627506153 371667679 /nfs/dbraw/zinc/66/76/79/371667679.db2.gz BSFMSJGWRAWAQX-DTWKUNHWSA-N 1 0 243.307 -1.306 20 0 BAADRO C[C@@H](O)CCN(C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627506154 371667979 /nfs/dbraw/zinc/66/79/79/371667979.db2.gz BSFMSJGWRAWAQX-RKDXNWHRSA-N 1 0 243.307 -1.306 20 0 BAADRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@H](O)C1 ZINC000627506275 371667317 /nfs/dbraw/zinc/66/73/17/371667317.db2.gz HNTXVCDAGHGKDK-BDAKNGLRSA-N 1 0 241.291 -1.552 20 0 BAADRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@@H](O)C1 ZINC000627506276 371667800 /nfs/dbraw/zinc/66/78/00/371667800.db2.gz HNTXVCDAGHGKDK-RKDXNWHRSA-N 1 0 241.291 -1.552 20 0 BAADRO CCOCCN(C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627506655 371667555 /nfs/dbraw/zinc/66/75/55/371667555.db2.gz CZDMQPURUSKAME-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCOCC1 ZINC000627507447 371669511 /nfs/dbraw/zinc/66/95/11/371669511.db2.gz SWSBTHKDRQUKSR-MRVPVSSYSA-N 1 0 227.264 -1.677 20 0 BAADRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCNC(=O)C1 ZINC000627507596 371669083 /nfs/dbraw/zinc/66/90/83/371669083.db2.gz ZGAHPRCSRXFDGC-SSDOTTSWSA-N 1 0 240.263 -2.577 20 0 BAADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CNC(N)=O)C[C@H]21 ZINC000627644776 371805653 /nfs/dbraw/zinc/80/56/53/371805653.db2.gz DKDFIKISIZSNMW-QMSLJYSESA-N 1 0 226.280 -1.327 20 0 BAADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]21 ZINC000627646040 371805798 /nfs/dbraw/zinc/80/57/98/371805798.db2.gz ZXMZPSSBVGVPSV-MBTKJCJQSA-N 1 0 236.279 -1.309 20 0 BAADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CC(N)=O)C[C@H]21 ZINC000627651649 371810791 /nfs/dbraw/zinc/81/07/91/371810791.db2.gz YAILYFNJNGKFLH-MTBHXBHISA-N 1 0 211.265 -1.120 20 0 BAADRO CNC(=O)NCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627653069 371811766 /nfs/dbraw/zinc/81/17/66/371811766.db2.gz CFEPDRPHQNPQLP-MBTKJCJQSA-N 1 0 240.307 -1.066 20 0 BAADRO C[C@@H](C(=O)N(CCO)CCOCCO)[NH+](C)C ZINC000628177937 344907010 /nfs/dbraw/zinc/90/70/10/344907010.db2.gz VREDVSQBUPGLIZ-JTQLQIEISA-N 1 0 248.323 -1.234 20 0 BAADRO C[NH+](C)CC(=O)N(CCO)CCOCCO ZINC000628179135 344914181 /nfs/dbraw/zinc/91/41/81/344914181.db2.gz OTRXZRGGVXKTOI-UHFFFAOYSA-N 1 0 234.296 -1.622 20 0 BAADRO COCCN1CC[C@@H]([NH+](CCO)CCO)C1 ZINC000628369957 355878582 /nfs/dbraw/zinc/87/85/82/355878582.db2.gz MTZQSSJNRBBPFM-LLVKDONJSA-N 1 0 232.324 -1.006 20 0 BAADRO COCCN1CC[C@H]([NH+](CCO)CCO)C1 ZINC000628369958 355878530 /nfs/dbraw/zinc/87/85/30/355878530.db2.gz MTZQSSJNRBBPFM-NSHDSACASA-N 1 0 232.324 -1.006 20 0 BAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](O)C1 ZINC000628524501 360131126 /nfs/dbraw/zinc/13/11/26/360131126.db2.gz VXFVRMPALRUVRW-IUCAKERBSA-N 1 0 216.281 -1.108 20 0 BAADRO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H](O)[C@@H](O)C2)C1 ZINC000628525096 360154606 /nfs/dbraw/zinc/15/46/06/360154606.db2.gz UVQNAXKZUWESSF-VGMNWLOBSA-N 1 0 214.265 -1.498 20 0 BAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](O)C1 ZINC000628525204 360154985 /nfs/dbraw/zinc/15/49/85/360154985.db2.gz YKEDJHFVVNUWDE-IUCAKERBSA-N 1 0 216.281 -1.108 20 0 BAADRO C[C@@H](C(=O)N1C[C@H](O)[C@@H](O)C1)[NH+](C)C ZINC000628525669 360152905 /nfs/dbraw/zinc/15/29/05/360152905.db2.gz RMKWKNUOVJKCDJ-FXQIFTODSA-N 1 0 202.254 -1.500 20 0 BAADRO CC[C@@H](C(=O)N1C[C@H](O)[C@@H](O)C1)[NH+](C)C ZINC000628526321 360238391 /nfs/dbraw/zinc/23/83/91/360238391.db2.gz VXFXGTOOYODZBZ-CIUDSAMLSA-N 1 0 216.281 -1.109 20 0 BAADRO CC[C@H](C(=O)N1C[C@H](O)[C@@H](O)C1)[NH+](C)C ZINC000628526322 360238356 /nfs/dbraw/zinc/23/83/56/360238356.db2.gz VXFXGTOOYODZBZ-VGMNWLOBSA-N 1 0 216.281 -1.109 20 0 BAADRO C[NH+](C)C1(C(=O)N2C[C@H](O)[C@@H](O)C2)CC1 ZINC000628528083 360342682 /nfs/dbraw/zinc/34/26/82/360342682.db2.gz UECFEUUADNQDOV-YUMQZZPRSA-N 1 0 214.265 -1.355 20 0 BAADRO C[C@@H]1[C@H](C(=O)N2C[C@H](O)[C@@H](O)C2)CC[N@@H+]1C ZINC000628528498 360350401 /nfs/dbraw/zinc/35/04/01/360350401.db2.gz NSPQUIQBMQYFAK-IMSYWVGJSA-N 1 0 228.292 -1.109 20 0 BAADRO CN1CCO[C@H](C(=O)N[C@H]2C[C@H](C(N)=O)C2)C1 ZINC000628780744 360646868 /nfs/dbraw/zinc/64/68/68/360646868.db2.gz KTPWAXWPKMEHDJ-CIUDSAMLSA-N 1 0 241.291 -1.303 20 0 BAADRO CN1CCO[C@@H](C(=O)N[C@H]2C[C@H](C(N)=O)C2)C1 ZINC000628780745 360647016 /nfs/dbraw/zinc/64/70/16/360647016.db2.gz KTPWAXWPKMEHDJ-IWSPIJDZSA-N 1 0 241.291 -1.303 20 0 BAADRO C[C@@H](C(=O)N1CC(NS(C)(=O)=O)C1)[NH+](C)C ZINC000628798888 360659861 /nfs/dbraw/zinc/65/98/61/360659861.db2.gz GHNOMCDJWFWKGF-ZETCQYMHSA-N 1 0 249.336 -1.304 20 0 BAADRO C[NH+](C)CC(=O)N1CC(NS(C)(=O)=O)C1 ZINC000628801713 360662633 /nfs/dbraw/zinc/66/26/33/360662633.db2.gz IFSDFMJUWLYGPD-UHFFFAOYSA-N 1 0 235.309 -1.692 20 0 BAADRO CN1CCOC[C@H]1CNC(=O)C[NH+](C)C ZINC000628922664 360755801 /nfs/dbraw/zinc/75/58/01/360755801.db2.gz QBRBEJDFVGXHMM-SECBINFHSA-N 1 0 215.297 -1.005 20 0 BAADRO CN1CCOC[C@@H]1CNC(=O)C[NH+](C)C ZINC000628922666 360755476 /nfs/dbraw/zinc/75/54/76/360755476.db2.gz QBRBEJDFVGXHMM-VIFPVBQESA-N 1 0 215.297 -1.005 20 0 BAADRO CN1CCOC[C@H]1CNC(=O)C(C)(C)C(N)=O ZINC000628924880 360758430 /nfs/dbraw/zinc/75/84/30/360758430.db2.gz WASVQQFOXWYFJN-MRVPVSSYSA-N 1 0 243.307 -1.055 20 0 BAADRO CN1CCOC[C@@H]1CNC(=O)C(C)(C)C(N)=O ZINC000628924881 360757668 /nfs/dbraw/zinc/75/76/68/360757668.db2.gz WASVQQFOXWYFJN-QMMMGPOBSA-N 1 0 243.307 -1.055 20 0 BAADRO COC[C@@H](OC)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629164831 360916586 /nfs/dbraw/zinc/91/65/86/360916586.db2.gz APMWTUJTEPLXLX-NXEZZACHSA-N 1 0 246.307 -1.169 20 0 BAADRO COC[C@H](OC)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629164832 360916555 /nfs/dbraw/zinc/91/65/55/360916555.db2.gz APMWTUJTEPLXLX-ZJUUUORDSA-N 1 0 246.307 -1.169 20 0 BAADRO O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@H](O)C1CC1 ZINC000629169224 360916229 /nfs/dbraw/zinc/91/62/29/360916229.db2.gz QFORAJIQNWZLGH-NXEZZACHSA-N 1 0 228.292 -1.060 20 0 BAADRO O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@@H](O)C1CC1 ZINC000629169235 360916613 /nfs/dbraw/zinc/91/66/13/360916613.db2.gz QFORAJIQNWZLGH-ZJUUUORDSA-N 1 0 228.292 -1.060 20 0 BAADRO CC(C)(O)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629171667 360919031 /nfs/dbraw/zinc/91/90/31/360919031.db2.gz HUCKGEZSGXRTAD-MRVPVSSYSA-N 1 0 216.281 -1.060 20 0 BAADRO C[C@@H](O)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629171793 360919226 /nfs/dbraw/zinc/91/92/26/360919226.db2.gz IMDFJFNAYOZISS-HTQZYQBOSA-N 1 0 202.254 -1.450 20 0 BAADRO C[C@H](O)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629171794 360919353 /nfs/dbraw/zinc/91/93/53/360919353.db2.gz IMDFJFNAYOZISS-JGVFFNPUSA-N 1 0 202.254 -1.450 20 0 BAADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1nnc[nH]1 ZINC000629173123 360921363 /nfs/dbraw/zinc/92/13/63/360921363.db2.gz HYKJXCPUMNFWKJ-SSDOTTSWSA-N 1 0 225.252 -1.399 20 0 BAADRO COCCOCC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629175435 360926107 /nfs/dbraw/zinc/92/61/07/360926107.db2.gz WEISRWJLPSHRCH-SNVBAGLBSA-N 1 0 246.307 -1.168 20 0 BAADRO CN(C)CC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629177135 360924506 /nfs/dbraw/zinc/92/45/06/360924506.db2.gz RISYJQJMBNLLCR-SECBINFHSA-N 1 0 215.297 -1.269 20 0 BAADRO COCC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629179026 360926796 /nfs/dbraw/zinc/92/67/96/360926796.db2.gz FGPPOFSWMSVZDT-MRVPVSSYSA-N 1 0 202.254 -1.184 20 0 BAADRO CNS(=O)(=O)CCCNC(=O)C[NH+](C)C ZINC000629341968 360997218 /nfs/dbraw/zinc/99/72/18/360997218.db2.gz ADNOWZFQJIQUNE-UHFFFAOYSA-N 1 0 237.325 -1.397 20 0 BAADRO Cn1c(=O)cc(N[C@@H]2CC[NH2+]C2)n(C)c1=O ZINC000629381423 361028358 /nfs/dbraw/zinc/02/83/58/361028358.db2.gz IYSZTLCQUVEOEE-SSDOTTSWSA-N 1 0 224.264 -1.142 20 0 BAADRO [NH3+]CCN1CCN(c2nccnn2)CC1 ZINC000629552136 361443885 /nfs/dbraw/zinc/44/38/85/361443885.db2.gz DAZDIPHUMGIWAS-UHFFFAOYSA-N 1 0 208.269 -1.048 20 0 BAADRO CCN(CC[NH3+])CCNS(C)(=O)=O ZINC000629556324 361450576 /nfs/dbraw/zinc/45/05/76/361450576.db2.gz GNWKZYBYQKVGOC-UHFFFAOYSA-N 1 0 209.315 -1.184 20 0 BAADRO CCN(CC[NH3+])CC(=O)N[C@H](C)C(=O)N(C)C ZINC000629556657 361450453 /nfs/dbraw/zinc/45/04/53/361450453.db2.gz MOGNXOCFBMJJBQ-SECBINFHSA-N 1 0 244.339 -1.140 20 0 BAADRO CCN(CC[NH3+])CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000629556664 361449632 /nfs/dbraw/zinc/44/96/32/361449632.db2.gz MOGNXOCFBMJJBQ-VIFPVBQESA-N 1 0 244.339 -1.140 20 0 BAADRO CCN(CC[NH3+])CC(=O)N1CCNC(=O)C1 ZINC000629557650 361451706 /nfs/dbraw/zinc/45/17/06/361451706.db2.gz VCPQHMMIROMGGY-UHFFFAOYSA-N 1 0 228.296 -1.775 20 0 BAADRO CNC(=O)CN(C)CCOCC[NH2+]C ZINC000629570483 361460648 /nfs/dbraw/zinc/46/06/48/361460648.db2.gz LCRFYDKJUGPKDM-UHFFFAOYSA-N 1 0 203.286 -1.100 20 0 BAADRO C[NH2+]CCOCCN(C)Cc1nnnn1C ZINC000629571121 361460845 /nfs/dbraw/zinc/46/08/45/361460845.db2.gz PWNFSNIMVRESHT-UHFFFAOYSA-N 1 0 228.300 -1.122 20 0 BAADRO C[NH2+]CCOCCN(C)Cc1nnn(C)n1 ZINC000629571772 361463973 /nfs/dbraw/zinc/46/39/73/361463973.db2.gz INXZBYNKGKIUCN-UHFFFAOYSA-N 1 0 228.300 -1.122 20 0 BAADRO C[N@H+](CCOCC[NH3+])CCN1C(=O)CNC1=O ZINC000629579634 361465631 /nfs/dbraw/zinc/46/56/31/361465631.db2.gz VPLTWDPAFORNOK-UHFFFAOYSA-N 1 0 244.295 -1.555 20 0 BAADRO C[C@@H](O)[C@@H](CO)NC[C@@H](O)C[NH+]1CCCC1 ZINC000629583296 361467521 /nfs/dbraw/zinc/46/75/21/361467521.db2.gz YGAMFJWUFIDNRM-GMTAPVOTSA-N 1 0 232.324 -1.226 20 0 BAADRO C[C@@H](O)[C@@H](CO)NC[C@H](O)C[NH+]1CCCC1 ZINC000629583297 361468288 /nfs/dbraw/zinc/46/82/88/361468288.db2.gz YGAMFJWUFIDNRM-OUAUKWLOSA-N 1 0 232.324 -1.226 20 0 BAADRO C[C@@H]([NH3+])CN1CCO[C@H](CC(N)=O)C1 ZINC000629584408 361472390 /nfs/dbraw/zinc/47/23/90/361472390.db2.gz TUOZZCPPDZLJMP-HTQZYQBOSA-N 1 0 201.270 -1.090 20 0 BAADRO C[C@H]([NH3+])CN1CCO[C@H](CC(N)=O)C1 ZINC000629584412 361473587 /nfs/dbraw/zinc/47/35/87/361473587.db2.gz TUOZZCPPDZLJMP-JGVFFNPUSA-N 1 0 201.270 -1.090 20 0 BAADRO C[C@@H]([NH3+])CN1CCO[C@@H](CC(N)=O)C1 ZINC000629584415 361473911 /nfs/dbraw/zinc/47/39/11/361473911.db2.gz TUOZZCPPDZLJMP-SFYZADRCSA-N 1 0 201.270 -1.090 20 0 BAADRO C[C@H]([NH3+])CN1CCO[C@@H](CC(N)=O)C1 ZINC000629584416 361473238 /nfs/dbraw/zinc/47/32/38/361473238.db2.gz TUOZZCPPDZLJMP-YUMQZZPRSA-N 1 0 201.270 -1.090 20 0 BAADRO CS(=O)(=O)NC[C@@H]1COCCN1CC[NH3+] ZINC000629586356 361475454 /nfs/dbraw/zinc/47/54/54/361475454.db2.gz PPDBEIWVWQYLGH-MRVPVSSYSA-N 1 0 237.325 -1.805 20 0 BAADRO CS(=O)(=O)NC[C@H]1COCCN1CC[NH3+] ZINC000629586357 361475514 /nfs/dbraw/zinc/47/55/14/361475514.db2.gz PPDBEIWVWQYLGH-QMMMGPOBSA-N 1 0 237.325 -1.805 20 0 BAADRO COC[C@H](O)C[NH2+]C[C@@H]1COCCN1C ZINC000629599355 361487876 /nfs/dbraw/zinc/48/78/76/361487876.db2.gz DXUZRUVGHGUJHS-NXEZZACHSA-N 1 0 218.297 -1.086 20 0 BAADRO COC[C@@H](O)C[NH2+]C[C@H]1COCCN1C ZINC000629599356 361487508 /nfs/dbraw/zinc/48/75/08/361487508.db2.gz DXUZRUVGHGUJHS-UWVGGRQHSA-N 1 0 218.297 -1.086 20 0 BAADRO COC[C@H](O)C[NH2+]C[C@H]1COCCN1C ZINC000629599357 361487442 /nfs/dbraw/zinc/48/74/42/361487442.db2.gz DXUZRUVGHGUJHS-VHSXEESVSA-N 1 0 218.297 -1.086 20 0 BAADRO COC[C@@H](O)C[NH2+]C[C@@H]1COCCN1C ZINC000629599358 361487789 /nfs/dbraw/zinc/48/77/89/361487789.db2.gz DXUZRUVGHGUJHS-ZJUUUORDSA-N 1 0 218.297 -1.086 20 0 BAADRO CN1CCOC[C@H]1C[NH2+]CCC(N)=O ZINC000629599839 361489192 /nfs/dbraw/zinc/48/91/92/361489192.db2.gz MHDZVBVIUUPBAO-MRVPVSSYSA-N 1 0 201.270 -1.218 20 0 BAADRO CN1CCOC[C@@H]1C[NH2+]CCC(N)=O ZINC000629599840 361488732 /nfs/dbraw/zinc/48/87/32/361488732.db2.gz MHDZVBVIUUPBAO-QMMMGPOBSA-N 1 0 201.270 -1.218 20 0 BAADRO C[NH2+]CC(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000629607059 361497668 /nfs/dbraw/zinc/49/76/68/361497668.db2.gz KBTKWTHZAUXFIA-JTQLQIEISA-N 1 0 245.323 -1.643 20 0 BAADRO C[NH2+]CC(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000629607060 361498150 /nfs/dbraw/zinc/49/81/50/361498150.db2.gz KBTKWTHZAUXFIA-SNVBAGLBSA-N 1 0 245.323 -1.643 20 0 BAADRO CN(C[C@H](O)CN1CCOCC1)C(=O)CC[NH3+] ZINC000629608369 361496299 /nfs/dbraw/zinc/49/62/99/361496299.db2.gz WIZDGLPGXUXERA-JTQLQIEISA-N 1 0 245.323 -1.513 20 0 BAADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)CC[NH3+] ZINC000629608403 361495798 /nfs/dbraw/zinc/49/57/98/361495798.db2.gz WIZDGLPGXUXERA-SNVBAGLBSA-N 1 0 245.323 -1.513 20 0 BAADRO C[C@@H]([NH3+])C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000629608543 361495860 /nfs/dbraw/zinc/49/58/60/361495860.db2.gz YJRMMLZACBDYPG-NXEZZACHSA-N 1 0 245.323 -1.515 20 0 BAADRO C[C@H]([NH3+])C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000629608544 361495813 /nfs/dbraw/zinc/49/58/13/361495813.db2.gz YJRMMLZACBDYPG-UWVGGRQHSA-N 1 0 245.323 -1.515 20 0 BAADRO C[C@H]([NH3+])C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000629608545 361495561 /nfs/dbraw/zinc/49/55/61/361495561.db2.gz YJRMMLZACBDYPG-VHSXEESVSA-N 1 0 245.323 -1.515 20 0 BAADRO C[C@@H]([NH3+])C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000629608546 361495922 /nfs/dbraw/zinc/49/59/22/361495922.db2.gz YJRMMLZACBDYPG-ZJUUUORDSA-N 1 0 245.323 -1.515 20 0 BAADRO C[C@@H](O)C[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000629614282 387717539 /nfs/dbraw/zinc/71/75/39/387717539.db2.gz GBZSEGYNGXPROQ-SSDOTTSWSA-N 1 0 237.325 -1.553 20 0 BAADRO C[C@H](O)C[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000629614286 387716043 /nfs/dbraw/zinc/71/60/43/387716043.db2.gz GBZSEGYNGXPROQ-ZETCQYMHSA-N 1 0 237.325 -1.553 20 0 BAADRO CCN(CC[NH3+])Cc1cn(C)c(=O)n(C)c1=O ZINC000629654706 361557965 /nfs/dbraw/zinc/55/79/65/361557965.db2.gz PVKXAOQUCQPWNV-UHFFFAOYSA-N 1 0 240.307 -1.135 20 0 BAADRO CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@@H](O)C1 ZINC000629783229 361702911 /nfs/dbraw/zinc/70/29/11/361702911.db2.gz AAVVMWRBNPPNNL-SECBINFHSA-N 1 0 243.307 -1.223 20 0 BAADRO CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@H](O)C1 ZINC000629783230 361703043 /nfs/dbraw/zinc/70/30/43/361703043.db2.gz AAVVMWRBNPPNNL-VIFPVBQESA-N 1 0 243.307 -1.223 20 0 BAADRO CCN(CC[NH3+])C(=O)C(=O)N1CCOCC1 ZINC000629783913 361704560 /nfs/dbraw/zinc/70/45/60/361704560.db2.gz KBDZZTKQCRWEKX-UHFFFAOYSA-N 1 0 229.280 -1.348 20 0 BAADRO CCN(CC[NH3+])C(=O)C(=O)N1CCNC(=O)C1 ZINC000629785325 361705444 /nfs/dbraw/zinc/70/54/44/361705444.db2.gz LAWOAACUVRJTHG-UHFFFAOYSA-N 1 0 242.279 -2.248 20 0 BAADRO CCN(CC[NH3+])C(=O)C(=O)N(C)CCOC ZINC000629787262 361701872 /nfs/dbraw/zinc/70/18/72/361701872.db2.gz BEJBRVZGEQGFDW-UHFFFAOYSA-N 1 0 231.296 -1.102 20 0 BAADRO CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@H]1CO ZINC000629794567 487837198 /nfs/dbraw/zinc/83/71/98/487837198.db2.gz WIMHWOCRRAIEQX-VIFPVBQESA-N 1 0 243.307 -1.223 20 0 BAADRO CCN(CC[NH3+])C(=O)C(=O)N1CCN(C)CC1 ZINC000629811046 361712014 /nfs/dbraw/zinc/71/20/14/361712014.db2.gz AYWORBAZCGZCDY-UHFFFAOYSA-N 1 0 242.323 -1.432 20 0 BAADRO CCN(CC[NH3+])C(=O)C(=O)N(C)CCO ZINC000629811658 361711850 /nfs/dbraw/zinc/71/18/50/361711850.db2.gz HYTYEWNKYTXEAQ-UHFFFAOYSA-N 1 0 217.269 -1.756 20 0 BAADRO CCN(CC[NH3+])C(=O)C(=O)N(C)C[C@@H](C)O ZINC000629812561 361712068 /nfs/dbraw/zinc/71/20/68/361712068.db2.gz QZMBYNSSDUBOQK-MRVPVSSYSA-N 1 0 231.296 -1.367 20 0 BAADRO CCN(CC[NH3+])C(=O)C(=O)N(C)C[C@H](C)O ZINC000629812562 361711890 /nfs/dbraw/zinc/71/18/90/361711890.db2.gz QZMBYNSSDUBOQK-QMMMGPOBSA-N 1 0 231.296 -1.367 20 0 BAADRO COCC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629910259 361764173 /nfs/dbraw/zinc/76/41/73/361764173.db2.gz FGPPOFSWMSVZDT-QMMMGPOBSA-N 1 0 202.254 -1.184 20 0 BAADRO CN(C)CC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629913010 361768499 /nfs/dbraw/zinc/76/84/99/361768499.db2.gz RISYJQJMBNLLCR-VIFPVBQESA-N 1 0 215.297 -1.269 20 0 BAADRO COCCOCC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629914160 361768294 /nfs/dbraw/zinc/76/82/94/361768294.db2.gz WEISRWJLPSHRCH-JTQLQIEISA-N 1 0 246.307 -1.168 20 0 BAADRO COC[C@@](C)(O)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629914427 361767953 /nfs/dbraw/zinc/76/79/53/361767953.db2.gz SUOMPLQRWAHCGG-GXSJLCMTSA-N 1 0 246.307 -1.433 20 0 BAADRO COC[C@](C)(O)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629914428 361768184 /nfs/dbraw/zinc/76/81/84/361768184.db2.gz SUOMPLQRWAHCGG-ONGXEEELSA-N 1 0 246.307 -1.433 20 0 BAADRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1nnc[nH]1 ZINC000629914814 361771714 /nfs/dbraw/zinc/77/17/14/361771714.db2.gz HYKJXCPUMNFWKJ-ZETCQYMHSA-N 1 0 225.252 -1.399 20 0 BAADRO C[C@@H](O)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629914837 361771942 /nfs/dbraw/zinc/77/19/42/361771942.db2.gz IMDFJFNAYOZISS-SFYZADRCSA-N 1 0 202.254 -1.450 20 0 BAADRO C[C@H](O)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629914838 361771649 /nfs/dbraw/zinc/77/16/49/361771649.db2.gz IMDFJFNAYOZISS-YUMQZZPRSA-N 1 0 202.254 -1.450 20 0 BAADRO CC(C)(O)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629915271 361768959 /nfs/dbraw/zinc/76/89/59/361768959.db2.gz HUCKGEZSGXRTAD-QMMMGPOBSA-N 1 0 216.281 -1.060 20 0 BAADRO O=C(NCC[N@@H+]1CC[C@H](O)C1)[C@@H](O)C1CC1 ZINC000629917224 361774295 /nfs/dbraw/zinc/77/42/95/361774295.db2.gz QFORAJIQNWZLGH-UWVGGRQHSA-N 1 0 228.292 -1.060 20 0 BAADRO O=C(NCC[N@@H+]1CC[C@H](O)C1)[C@H](O)C1CC1 ZINC000629917225 361774357 /nfs/dbraw/zinc/77/43/57/361774357.db2.gz QFORAJIQNWZLGH-VHSXEESVSA-N 1 0 228.292 -1.060 20 0 BAADRO COC[C@H](OC)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629917916 361773900 /nfs/dbraw/zinc/77/39/00/361773900.db2.gz APMWTUJTEPLXLX-UWVGGRQHSA-N 1 0 246.307 -1.169 20 0 BAADRO COC[C@@H](OC)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629917918 361774392 /nfs/dbraw/zinc/77/43/92/361774392.db2.gz APMWTUJTEPLXLX-VHSXEESVSA-N 1 0 246.307 -1.169 20 0 BAADRO C[N@H+](CC(=O)NCCS(N)(=O)=O)C1CCC1 ZINC000629948537 361792207 /nfs/dbraw/zinc/79/22/07/361792207.db2.gz CKLPIEXFPAFPJE-UHFFFAOYSA-N 1 0 249.336 -1.125 20 0 BAADRO C[N@H+](CC(=O)NC(CO)CO)C1CCC1 ZINC000629982389 361828729 /nfs/dbraw/zinc/82/87/29/361828729.db2.gz XQSMMMQUEOCKQR-UHFFFAOYSA-N 1 0 216.281 -1.060 20 0 BAADRO C[C@@H](O)[C@@H](CO)NC(=O)C1([NH+](C)C)CC1 ZINC000630007119 361892092 /nfs/dbraw/zinc/89/20/92/361892092.db2.gz GCWADVKYNZEIIL-HTQZYQBOSA-N 1 0 216.281 -1.062 20 0 BAADRO O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1C[C@@H](O)C1 ZINC000630093473 363526674 /nfs/dbraw/zinc/52/66/74/363526674.db2.gz NXWNADYLGXCIED-HLTSFMKQSA-N 1 0 214.265 -1.138 20 0 BAADRO O=C(NC[C@H]1COCC[NH2+]1)[C@H]1C[C@@H](O)C1 ZINC000630093481 363526898 /nfs/dbraw/zinc/52/68/98/363526898.db2.gz NXWNADYLGXCIED-XHNCKOQMSA-N 1 0 214.265 -1.138 20 0 BAADRO Cn1c(=O)cc(N2C[C@@H]3C[C@H]2C[NH2+]3)n(C)c1=O ZINC000630385123 364098790 /nfs/dbraw/zinc/09/87/90/364098790.db2.gz AZVHBLFOKYDUOQ-YUMQZZPRSA-N 1 0 236.275 -1.366 20 0 BAADRO COCCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000630396556 364122273 /nfs/dbraw/zinc/12/22/73/364122273.db2.gz JVCQUCZSEYVOAR-SECBINFHSA-N 1 0 231.296 -1.001 20 0 BAADRO COCCNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000630398881 364120720 /nfs/dbraw/zinc/12/07/20/364120720.db2.gz JVCQUCZSEYVOAR-VIFPVBQESA-N 1 0 231.296 -1.001 20 0 BAADRO C[NH2+]CCOCCNC(=O)C(=O)NC1CC1 ZINC000630578467 364275798 /nfs/dbraw/zinc/27/57/98/364275798.db2.gz NAMTWBDRVSSOMC-UHFFFAOYSA-N 1 0 229.280 -1.383 20 0 BAADRO [NH3+]CCCOCCNC(=O)C(=O)NC1CC1 ZINC000630578598 364276432 /nfs/dbraw/zinc/27/64/32/364276432.db2.gz ALHCTNCCYBJGRE-UHFFFAOYSA-N 1 0 229.280 -1.253 20 0 BAADRO O=C(NC1CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000630581540 364281553 /nfs/dbraw/zinc/28/15/53/364281553.db2.gz KZHJWGYFURTFDS-YUMQZZPRSA-N 1 0 209.249 -1.162 20 0 BAADRO NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000630999641 369488676 /nfs/dbraw/zinc/48/86/76/369488676.db2.gz BOVKPQHVSVMXCP-UHFFFAOYSA-N 1 0 241.295 -1.292 20 0 BAADRO Cc1nc(N)nc(N2CCN(CCO)CC2)n1 ZINC000631034424 411590188 /nfs/dbraw/zinc/59/01/88/411590188.db2.gz SWGKONLFKNLSLO-UHFFFAOYSA-N 1 0 238.295 -1.123 20 0 BAADRO CNC(=O)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000631471273 372382734 /nfs/dbraw/zinc/38/27/34/372382734.db2.gz FJYPWOAWARQJMH-LLVKDONJSA-N 1 0 243.307 -1.353 20 0 BAADRO CNC(=O)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000631471274 372382480 /nfs/dbraw/zinc/38/24/80/372382480.db2.gz FJYPWOAWARQJMH-NSHDSACASA-N 1 0 243.307 -1.353 20 0 BAADRO Cn1cnnc1S(=O)(=O)NCC[NH+](C)C ZINC000631639663 351355300 /nfs/dbraw/zinc/35/53/00/351355300.db2.gz PPJXHVHQTCPOOI-UHFFFAOYSA-N 1 0 233.297 -1.345 20 0 BAADRO C[NH+](C)CCCS(=O)(=O)N1CCNC(=O)C1 ZINC000631652996 356601055 /nfs/dbraw/zinc/60/10/55/356601055.db2.gz XDWHKFLZVQJVCO-UHFFFAOYSA-N 1 0 249.336 -1.300 20 0 BAADRO C[C@@H](NS(=O)(=O)CCC[NH+](C)C)C(N)=O ZINC000631687501 372507545 /nfs/dbraw/zinc/50/75/45/372507545.db2.gz FOAQSZUTLXSBJF-SSDOTTSWSA-N 1 0 237.325 -1.269 20 0 BAADRO C[C@H](NS(=O)(=O)CCC[NH+](C)C)C(N)=O ZINC000631687505 372507947 /nfs/dbraw/zinc/50/79/47/372507947.db2.gz FOAQSZUTLXSBJF-ZETCQYMHSA-N 1 0 237.325 -1.269 20 0 BAADRO CN(CC(N)=O)S(=O)(=O)CCC[NH+](C)C ZINC000631749528 372550132 /nfs/dbraw/zinc/55/01/32/372550132.db2.gz SMKAOVPQDRMWNZ-UHFFFAOYSA-N 1 0 237.325 -1.315 20 0 BAADRO C[NH+](C)CCCS(=O)(=O)NCCC(N)=O ZINC000631752547 364646154 /nfs/dbraw/zinc/64/61/54/364646154.db2.gz NCUDREIXDIFYIK-UHFFFAOYSA-N 1 0 237.325 -1.267 20 0 BAADRO CN(C)S(=O)(=O)CCN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631847709 372645021 /nfs/dbraw/zinc/64/50/21/372645021.db2.gz AAXHPTUIMPZGFI-IUCAKERBSA-N 1 0 233.337 -1.076 20 0 BAADRO CS(=O)(=O)NCCN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631849282 372647558 /nfs/dbraw/zinc/64/75/58/372647558.db2.gz CYPJLPMEZXCERM-YUMQZZPRSA-N 1 0 219.310 -1.418 20 0 BAADRO CCS(=O)(=O)NCCN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631849447 372647171 /nfs/dbraw/zinc/64/71/71/372647171.db2.gz JSTMVARYOHIKRQ-IUCAKERBSA-N 1 0 233.337 -1.028 20 0 BAADRO CNS(=O)(=O)CCCN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631850412 372648178 /nfs/dbraw/zinc/64/81/78/372648178.db2.gz PZODSKDXIMRFNY-IUCAKERBSA-N 1 0 233.337 -1.028 20 0 BAADRO O=C(CN1C[C@@H]2C[C@H]1C[NH2+]2)N1CCNC(=O)C1 ZINC000631850998 372649695 /nfs/dbraw/zinc/64/96/95/372649695.db2.gz LNBINEVTLBQSMS-IUCAKERBSA-N 1 0 238.291 -2.009 20 0 BAADRO CS(=O)(=O)NCCN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631854402 369426804 /nfs/dbraw/zinc/42/68/04/369426804.db2.gz XKXLLVLASBFMLI-DTORHVGOSA-N 1 0 233.337 -1.028 20 0 BAADRO O=C1CNC(=O)N1CCN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631854888 372655126 /nfs/dbraw/zinc/65/51/26/372655126.db2.gz OUOUUCSROURGPC-DTORHVGOSA-N 1 0 238.291 -1.026 20 0 BAADRO C[C@@H]1C[C@H]([NH3+])CN1CC(=O)N1CCNC(=O)C1 ZINC000631857296 372656322 /nfs/dbraw/zinc/65/63/22/372656322.db2.gz GDCWNHBOOFFNTC-BDAKNGLRSA-N 1 0 240.307 -1.634 20 0 BAADRO C[C@H]1C[C@@H]([NH3+])CN1CC(=O)N1CCNC(=O)C1 ZINC000631857297 372655923 /nfs/dbraw/zinc/65/59/23/372655923.db2.gz GDCWNHBOOFFNTC-DTWKUNHWSA-N 1 0 240.307 -1.634 20 0 BAADRO C[C@H]1C[C@H]([NH3+])CN1CC(=O)N1CCNC(=O)C1 ZINC000631857298 372656618 /nfs/dbraw/zinc/65/66/18/372656618.db2.gz GDCWNHBOOFFNTC-IUCAKERBSA-N 1 0 240.307 -1.634 20 0 BAADRO C[C@@H]1C[C@@H]([NH3+])CN1CC(=O)N1CCNC(=O)C1 ZINC000631857299 372656180 /nfs/dbraw/zinc/65/61/80/372656180.db2.gz GDCWNHBOOFFNTC-RKDXNWHRSA-N 1 0 240.307 -1.634 20 0 BAADRO C[C@@H]1C[C@@H]([NH3+])CN1CCN1C(=O)CNC1=O ZINC000631858651 372658461 /nfs/dbraw/zinc/65/84/61/372658461.db2.gz BXDJCCPMDQJDEO-HTQZYQBOSA-N 1 0 226.280 -1.040 20 0 BAADRO C[C@H]1C[C@@H]([NH3+])CN1CCN1C(=O)CNC1=O ZINC000631858652 372658432 /nfs/dbraw/zinc/65/84/32/372658432.db2.gz BXDJCCPMDQJDEO-JGVFFNPUSA-N 1 0 226.280 -1.040 20 0 BAADRO C[C@@H]1C[C@H]([NH3+])CN1CCN1C(=O)CNC1=O ZINC000631858653 372658563 /nfs/dbraw/zinc/65/85/63/372658563.db2.gz BXDJCCPMDQJDEO-SFYZADRCSA-N 1 0 226.280 -1.040 20 0 BAADRO C[C@H]1C[C@H]([NH3+])CN1CCN1C(=O)CNC1=O ZINC000631858654 372658087 /nfs/dbraw/zinc/65/80/87/372658087.db2.gz BXDJCCPMDQJDEO-YUMQZZPRSA-N 1 0 226.280 -1.040 20 0 BAADRO C[C@@H]1C[C@@H]([NH3+])CN1CCNS(C)(=O)=O ZINC000631860872 372661497 /nfs/dbraw/zinc/66/14/97/372661497.db2.gz QYEZAOCKROIUDK-HTQZYQBOSA-N 1 0 221.326 -1.043 20 0 BAADRO C[C@H]1C[C@@H]([NH3+])CN1CCNS(C)(=O)=O ZINC000631860873 372661504 /nfs/dbraw/zinc/66/15/04/372661504.db2.gz QYEZAOCKROIUDK-JGVFFNPUSA-N 1 0 221.326 -1.043 20 0 BAADRO C[C@@H]1C[C@H]([NH3+])CN1CCNS(C)(=O)=O ZINC000631860874 372661311 /nfs/dbraw/zinc/66/13/11/372661311.db2.gz QYEZAOCKROIUDK-SFYZADRCSA-N 1 0 221.326 -1.043 20 0 BAADRO C[C@H]1C[C@H]([NH3+])CN1CCNS(C)(=O)=O ZINC000631860875 372662054 /nfs/dbraw/zinc/66/20/54/372662054.db2.gz QYEZAOCKROIUDK-YUMQZZPRSA-N 1 0 221.326 -1.043 20 0 BAADRO CNC(=O)NC[C@@H]1COCCN1CCC[NH3+] ZINC000631872808 372674768 /nfs/dbraw/zinc/67/47/68/372674768.db2.gz GMNBRPHGQZBDMN-SECBINFHSA-N 1 0 230.312 -1.035 20 0 BAADRO CNC(=O)NC[C@H]1COCCN1CCC[NH3+] ZINC000631872809 372674655 /nfs/dbraw/zinc/67/46/55/372674655.db2.gz GMNBRPHGQZBDMN-VIFPVBQESA-N 1 0 230.312 -1.035 20 0 BAADRO CNC(=O)NC[C@@H]1COCCN1CC[NH3+] ZINC000631873241 372674781 /nfs/dbraw/zinc/67/47/81/372674781.db2.gz NCVRCLOCYWAQIC-MRVPVSSYSA-N 1 0 216.285 -1.425 20 0 BAADRO CNC(=O)NC[C@H]1COCCN1CC[NH3+] ZINC000631873242 372674848 /nfs/dbraw/zinc/67/48/48/372674848.db2.gz NCVRCLOCYWAQIC-QMMMGPOBSA-N 1 0 216.285 -1.425 20 0 BAADRO CNC(=O)NC[C@H]1COCCN1C[C@@H](C)[NH3+] ZINC000631873461 372674844 /nfs/dbraw/zinc/67/48/44/372674844.db2.gz QVUANDZPGRLGEX-BDAKNGLRSA-N 1 0 230.312 -1.037 20 0 BAADRO CNC(=O)NC[C@@H]1COCCN1C[C@H](C)[NH3+] ZINC000631873462 372674701 /nfs/dbraw/zinc/67/47/01/372674701.db2.gz QVUANDZPGRLGEX-DTWKUNHWSA-N 1 0 230.312 -1.037 20 0 BAADRO CNC(=O)NC[C@H]1COCCN1C[C@H](C)[NH3+] ZINC000631873463 372674693 /nfs/dbraw/zinc/67/46/93/372674693.db2.gz QVUANDZPGRLGEX-IUCAKERBSA-N 1 0 230.312 -1.037 20 0 BAADRO CNC(=O)NC[C@@H]1COCCN1C[C@@H](C)[NH3+] ZINC000631873464 372674733 /nfs/dbraw/zinc/67/47/33/372674733.db2.gz QVUANDZPGRLGEX-RKDXNWHRSA-N 1 0 230.312 -1.037 20 0 BAADRO [NH3+]CCNS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000631899937 372688787 /nfs/dbraw/zinc/68/87/87/372688787.db2.gz CWRBMIHXATUKGX-MRVPVSSYSA-N 1 0 247.320 -1.372 20 0 BAADRO [NH3+]CCNS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000631899938 372688655 /nfs/dbraw/zinc/68/86/55/372688655.db2.gz CWRBMIHXATUKGX-QMMMGPOBSA-N 1 0 247.320 -1.372 20 0 BAADRO CCN1C[C@H](S(=O)(=O)NCC[NH3+])CC1=O ZINC000631900244 372688807 /nfs/dbraw/zinc/68/88/07/372688807.db2.gz LRCFEBWGGIATPT-SSDOTTSWSA-N 1 0 235.309 -1.515 20 0 BAADRO CCN1C[C@@H](S(=O)(=O)NCC[NH3+])CC1=O ZINC000631900245 372687734 /nfs/dbraw/zinc/68/77/34/372687734.db2.gz LRCFEBWGGIATPT-ZETCQYMHSA-N 1 0 235.309 -1.515 20 0 BAADRO CN(C)C1(CS(=O)(=O)NCC[NH3+])CC1 ZINC000631900322 372688291 /nfs/dbraw/zinc/68/82/91/372688291.db2.gz OCUYJZMUHBXPFP-UHFFFAOYSA-N 1 0 221.326 -1.041 20 0 BAADRO Cn1cnnc1S(=O)(=O)N[C@@H]1CCC[NH2+]C1 ZINC000631900717 372688422 /nfs/dbraw/zinc/68/84/22/372688422.db2.gz HIEGAMKSUILYIV-SSDOTTSWSA-N 1 0 245.308 -1.155 20 0 BAADRO Cn1cnnc1S(=O)(=O)N[C@H]1CCC[NH2+]C1 ZINC000631900719 372688958 /nfs/dbraw/zinc/68/89/58/372688958.db2.gz HIEGAMKSUILYIV-ZETCQYMHSA-N 1 0 245.308 -1.155 20 0 BAADRO CCN1C[C@H](S(=O)(=O)NCCC[NH3+])CC1=O ZINC000631901020 362898420 /nfs/dbraw/zinc/89/84/20/362898420.db2.gz OUTNFJRAWQZSCJ-MRVPVSSYSA-N 1 0 249.336 -1.125 20 0 BAADRO CCN1C[C@@H](S(=O)(=O)NCCC[NH3+])CC1=O ZINC000631901021 362898097 /nfs/dbraw/zinc/89/80/97/362898097.db2.gz OUTNFJRAWQZSCJ-QMMMGPOBSA-N 1 0 249.336 -1.125 20 0 BAADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCNCC1 ZINC000631901045 372688712 /nfs/dbraw/zinc/68/87/12/372688712.db2.gz PNXITXYHGQYLRA-SECBINFHSA-N 1 0 249.336 -1.790 20 0 BAADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCNCC1 ZINC000631901046 372688539 /nfs/dbraw/zinc/68/85/39/372688539.db2.gz PNXITXYHGQYLRA-VIFPVBQESA-N 1 0 249.336 -1.790 20 0 BAADRO C[NH2+]CCCNS(=O)(=O)c1nncn1C ZINC000631901430 372688039 /nfs/dbraw/zinc/68/80/39/372688039.db2.gz CCKRELDUNBKUQX-UHFFFAOYSA-N 1 0 233.297 -1.297 20 0 BAADRO Cn1cnnc1S(=O)(=O)N[C@H]1CC[NH2+]C1 ZINC000631901635 362906231 /nfs/dbraw/zinc/90/62/31/362906231.db2.gz JURGFAGTDYZBIL-LURJTMIESA-N 1 0 231.281 -1.545 20 0 BAADRO Cn1cnnc1S(=O)(=O)N[C@@H]1CC[NH2+]C1 ZINC000631901636 362906629 /nfs/dbraw/zinc/90/66/29/362906629.db2.gz JURGFAGTDYZBIL-ZCFIWIBFSA-N 1 0 231.281 -1.545 20 0 BAADRO CCN1C[C@H](S(=O)(=O)NCC[NH2+]C)CC1=O ZINC000631902678 362907737 /nfs/dbraw/zinc/90/77/37/362907737.db2.gz OESBFNMKAKJRBW-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO CCN1C[C@@H](S(=O)(=O)NCC[NH2+]C)CC1=O ZINC000631902679 362907662 /nfs/dbraw/zinc/90/76/62/362907662.db2.gz OESBFNMKAKJRBW-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO C[NH2+]CCNS(=O)(=O)c1nncn1C ZINC000631903240 372690751 /nfs/dbraw/zinc/69/07/51/372690751.db2.gz CNHXJEUPTLVBFI-UHFFFAOYSA-N 1 0 219.270 -1.687 20 0 BAADRO Cn1cnnc1S(=O)(=O)NC[C@H]1CCC[NH2+]1 ZINC000631903577 372689610 /nfs/dbraw/zinc/68/96/10/372689610.db2.gz MQXUIBJWWQBLRV-SSDOTTSWSA-N 1 0 245.308 -1.155 20 0 BAADRO Cn1cnnc1S(=O)(=O)NC[C@@H]1CCC[NH2+]1 ZINC000631903578 372690297 /nfs/dbraw/zinc/69/02/97/372690297.db2.gz MQXUIBJWWQBLRV-ZETCQYMHSA-N 1 0 245.308 -1.155 20 0 BAADRO CC[NH2+]CCNS(=O)(=O)c1nncn1C ZINC000631903790 372689947 /nfs/dbraw/zinc/68/99/47/372689947.db2.gz USBSCTKXZVBBIC-UHFFFAOYSA-N 1 0 233.297 -1.297 20 0 BAADRO Cn1cnnc1S(=O)(=O)NCC[NH2+]C1CC1 ZINC000631903876 372691037 /nfs/dbraw/zinc/69/10/37/372691037.db2.gz XCZSQLKTUDJMQJ-UHFFFAOYSA-N 1 0 245.308 -1.155 20 0 BAADRO CN(C)C1(CS(=O)(=O)NC2C[NH2+]C2)CC1 ZINC000631904123 372690621 /nfs/dbraw/zinc/69/06/21/372690621.db2.gz FBDLQFFJHJCIDV-UHFFFAOYSA-N 1 0 233.337 -1.028 20 0 BAADRO Cn1cnnc1S(=O)(=O)NC1C[NH2+]C1 ZINC000631904160 372691061 /nfs/dbraw/zinc/69/10/61/372691061.db2.gz GFOGWUIOSBVRCH-UHFFFAOYSA-N 1 0 217.254 -1.935 20 0 BAADRO CCN1C[C@H](S(=O)(=O)NC2C[NH2+]C2)CC1=O ZINC000631904387 372690865 /nfs/dbraw/zinc/69/08/65/372690865.db2.gz MHONXUARXGJMQG-MRVPVSSYSA-N 1 0 247.320 -1.502 20 0 BAADRO CCN1C[C@@H](S(=O)(=O)NC2C[NH2+]C2)CC1=O ZINC000631904388 372690958 /nfs/dbraw/zinc/69/09/58/372690958.db2.gz MHONXUARXGJMQG-QMMMGPOBSA-N 1 0 247.320 -1.502 20 0 BAADRO CCN1C[C@H](S(=O)(=O)N[C@H](C)C[NH3+])CC1=O ZINC000631930034 362968730 /nfs/dbraw/zinc/96/87/30/362968730.db2.gz VHKJLGNOPOSNSU-HTQZYQBOSA-N 1 0 249.336 -1.126 20 0 BAADRO CCN1C[C@@H](S(=O)(=O)N[C@H](C)C[NH3+])CC1=O ZINC000631930035 362968108 /nfs/dbraw/zinc/96/81/08/362968108.db2.gz VHKJLGNOPOSNSU-SFYZADRCSA-N 1 0 249.336 -1.126 20 0 BAADRO CCN1C[C@H](S(=O)(=O)NC[C@@H](C)[NH3+])CC1=O ZINC000631932341 372697131 /nfs/dbraw/zinc/69/71/31/372697131.db2.gz NOQSHEOZCRLGKL-HTQZYQBOSA-N 1 0 249.336 -1.126 20 0 BAADRO CCN1C[C@H](S(=O)(=O)NC[C@H](C)[NH3+])CC1=O ZINC000631932342 372697118 /nfs/dbraw/zinc/69/71/18/372697118.db2.gz NOQSHEOZCRLGKL-JGVFFNPUSA-N 1 0 249.336 -1.126 20 0 BAADRO CCN1C[C@@H](S(=O)(=O)NC[C@@H](C)[NH3+])CC1=O ZINC000631932344 372693258 /nfs/dbraw/zinc/69/32/58/372693258.db2.gz NOQSHEOZCRLGKL-SFYZADRCSA-N 1 0 249.336 -1.126 20 0 BAADRO CCN1C[C@@H](S(=O)(=O)NC[C@H](C)[NH3+])CC1=O ZINC000631932346 372693279 /nfs/dbraw/zinc/69/32/79/372693279.db2.gz NOQSHEOZCRLGKL-YUMQZZPRSA-N 1 0 249.336 -1.126 20 0 BAADRO Cn1cnnc1S(=O)(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000631939105 372699974 /nfs/dbraw/zinc/69/99/74/372699974.db2.gz SWNLFXQWKLMZBE-ZMONIFLSSA-N 1 0 243.292 -1.689 20 0 BAADRO CN(CC[NH3+])S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631944919 372697757 /nfs/dbraw/zinc/69/77/57/372697757.db2.gz KSKZDKMEOHSDOB-QMMMGPOBSA-N 1 0 237.325 -1.805 20 0 BAADRO CCN1C[C@H](S(=O)(=O)N(C)CC[NH3+])CC1=O ZINC000631945230 372701917 /nfs/dbraw/zinc/70/19/17/372701917.db2.gz RVSQLFNFVPJYAB-MRVPVSSYSA-N 1 0 249.336 -1.173 20 0 BAADRO CCN1C[C@@H](S(=O)(=O)N(C)CC[NH3+])CC1=O ZINC000631945231 372701613 /nfs/dbraw/zinc/70/16/13/372701613.db2.gz RVSQLFNFVPJYAB-QMMMGPOBSA-N 1 0 249.336 -1.173 20 0 BAADRO C[NH2+]C[C@H](C)NS(=O)(=O)c1nncn1C ZINC000631952806 372703534 /nfs/dbraw/zinc/70/35/34/372703534.db2.gz UAEOAJADUCWGPR-LURJTMIESA-N 1 0 233.297 -1.299 20 0 BAADRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1nncn1C ZINC000631952807 372703113 /nfs/dbraw/zinc/70/31/13/372703113.db2.gz UAEOAJADUCWGPR-ZCFIWIBFSA-N 1 0 233.297 -1.299 20 0 BAADRO Cn1cnnc1S(=O)(=O)N[C@]1(C)CC[NH2+]C1 ZINC000631953671 372703210 /nfs/dbraw/zinc/70/32/10/372703210.db2.gz PVAVZNHLGUQIRP-MRVPVSSYSA-N 1 0 245.308 -1.155 20 0 BAADRO Cn1cnnc1S(=O)(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000631953672 372702999 /nfs/dbraw/zinc/70/29/99/372702999.db2.gz PVAVZNHLGUQIRP-QMMMGPOBSA-N 1 0 245.308 -1.155 20 0 BAADRO C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1nncn1C ZINC000631958190 372704886 /nfs/dbraw/zinc/70/48/86/372704886.db2.gz MHYKSAHCAPHQSK-NKWVEPMBSA-N 1 0 245.308 -1.156 20 0 BAADRO O=S(=O)(C1COC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631968745 372706171 /nfs/dbraw/zinc/70/61/71/372706171.db2.gz KLGXPGDLMYARNZ-BQBZGAKWSA-N 1 0 218.278 -1.239 20 0 BAADRO CN(C)S(=O)(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631969531 372707394 /nfs/dbraw/zinc/70/73/94/372707394.db2.gz FBKWPPPLDDLDRL-BQBZGAKWSA-N 1 0 205.283 -1.161 20 0 BAADRO O=S(=O)(N1C[C@@H]2C[C@H]1C[NH2+]2)N1CCOCC1 ZINC000631969632 372708206 /nfs/dbraw/zinc/70/82/06/372708206.db2.gz HGRWLOPIZLWXMC-IUCAKERBSA-N 1 0 247.320 -1.391 20 0 BAADRO COCCN(C)S(=O)(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631970255 372707464 /nfs/dbraw/zinc/70/74/64/372707464.db2.gz WEEFRPYLVLMJJY-IUCAKERBSA-N 1 0 249.336 -1.145 20 0 BAADRO Cn1nncc1S(=O)(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631970345 363109634 /nfs/dbraw/zinc/10/96/34/363109634.db2.gz PVVXKZYWJOIFJE-BQBZGAKWSA-N 1 0 243.292 -1.450 20 0 BAADRO CCNS(=O)(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631970487 372707623 /nfs/dbraw/zinc/70/76/23/372707623.db2.gz YRCBQPLYELANCP-BQBZGAKWSA-N 1 0 205.283 -1.113 20 0 BAADRO C[NH+](C)CCCS(=O)(=O)NCCO ZINC000631999203 372718019 /nfs/dbraw/zinc/71/80/19/372718019.db2.gz XCVKUNNUZLSADE-UHFFFAOYSA-N 1 0 210.299 -1.150 20 0 BAADRO C[NH+](C)CCCS(=O)(=O)NC1(C(N)=O)CC1 ZINC000632098203 372757807 /nfs/dbraw/zinc/75/78/07/372757807.db2.gz WQAWGRWXUKAWBC-UHFFFAOYSA-N 1 0 249.336 -1.125 20 0 BAADRO Cn1cnnc1S(=O)(=O)NCCN1CCC1 ZINC000632133720 372773877 /nfs/dbraw/zinc/77/38/77/372773877.db2.gz HOUJEEFSAOWPFI-UHFFFAOYSA-N 1 0 245.308 -1.201 20 0 BAADRO CN1CN(S(=O)(=O)CCC[NH+](C)C)CC1=O ZINC000632183372 372797080 /nfs/dbraw/zinc/79/70/80/372797080.db2.gz QJSFFCLEBYFPQG-UHFFFAOYSA-N 1 0 249.336 -1.001 20 0 BAADRO C[NH+](C)CCCS(=O)(=O)N[C@H]1CNC(=O)C1 ZINC000632205163 372805946 /nfs/dbraw/zinc/80/59/46/372805946.db2.gz KBULFHHCTGFUAU-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO C[NH+](C)CCCS(=O)(=O)N[C@@H]1CNC(=O)C1 ZINC000632205164 372806155 /nfs/dbraw/zinc/80/61/55/372806155.db2.gz KBULFHHCTGFUAU-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO CCNS(=O)(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000632349643 372893013 /nfs/dbraw/zinc/89/30/13/372893013.db2.gz BDROVDWPSWXQJA-YUMQZZPRSA-N 1 0 237.325 -1.553 20 0 BAADRO CNS(=O)(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000632349819 372895307 /nfs/dbraw/zinc/89/53/07/372895307.db2.gz KKLAAWWYDOKUMG-BQBZGAKWSA-N 1 0 223.298 -1.943 20 0 BAADRO C[NH+](C)[C@H]1CN(S(=O)(=O)NC2CC2)C[C@@H]1O ZINC000632349902 372895076 /nfs/dbraw/zinc/89/50/76/372895076.db2.gz NVYUIUGBKAXDPH-IUCAKERBSA-N 1 0 249.336 -1.410 20 0 BAADRO CCS(=O)(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000632350133 372895170 /nfs/dbraw/zinc/89/51/70/372895170.db2.gz YDBUVBGSYBAKOR-YUMQZZPRSA-N 1 0 222.310 -1.057 20 0 BAADRO C[NH+](C)[C@H]1CN(S(=O)(=O)N2CCC2)C[C@@H]1O ZINC000632350430 372895124 /nfs/dbraw/zinc/89/51/24/372895124.db2.gz LHSGZLDTMMYNRR-IUCAKERBSA-N 1 0 249.336 -1.456 20 0 BAADRO CNS(=O)(=O)N1CC(C[NH+](C)C)C1 ZINC000632382305 372910156 /nfs/dbraw/zinc/91/01/56/372910156.db2.gz LQPQGAFESGTVKE-UHFFFAOYSA-N 1 0 207.299 -1.056 20 0 BAADRO C[NH+](C)CCCS(=O)(=O)N[C@H]1CCNC1=O ZINC000632543942 388409720 /nfs/dbraw/zinc/40/97/20/388409720.db2.gz RIFZTWNFQFTIFY-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO CN1CCN(S(=O)(=O)N2CCC2)[C@@H](CO)C1 ZINC000632578026 361033210 /nfs/dbraw/zinc/03/32/10/361033210.db2.gz LHDYWCXIWPABJU-SECBINFHSA-N 1 0 249.336 -1.455 20 0 BAADRO CN1CCN(S(=O)(=O)N2CCC2)[C@H](CO)C1 ZINC000632578027 361033409 /nfs/dbraw/zinc/03/34/09/361033409.db2.gz LHDYWCXIWPABJU-VIFPVBQESA-N 1 0 249.336 -1.455 20 0 BAADRO CCNS(=O)(=O)N1CCN(C)C[C@@H]1CO ZINC000632578560 373015902 /nfs/dbraw/zinc/01/59/02/373015902.db2.gz YLIHSENFVLSCLS-MRVPVSSYSA-N 1 0 237.325 -1.551 20 0 BAADRO CCNS(=O)(=O)N1CCN(C)C[C@H]1CO ZINC000632578561 373015301 /nfs/dbraw/zinc/01/53/01/373015301.db2.gz YLIHSENFVLSCLS-QMMMGPOBSA-N 1 0 237.325 -1.551 20 0 BAADRO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C(N)=O)CC[N@@H+]1C ZINC000632775323 373136400 /nfs/dbraw/zinc/13/64/00/373136400.db2.gz ZPULNJIAPVGWJJ-DJLDLDEBSA-N 1 0 243.307 -1.321 20 0 BAADRO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C(N)=O)CC[N@@H+]1C ZINC000632775324 373136540 /nfs/dbraw/zinc/13/65/40/373136540.db2.gz ZPULNJIAPVGWJJ-YIZRAAEISA-N 1 0 243.307 -1.321 20 0 BAADRO Cn1[nH]cnc1=NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000632921353 373220065 /nfs/dbraw/zinc/22/00/65/373220065.db2.gz CYXUFOKZYPJGSH-BQBZGAKWSA-N 1 0 222.252 -1.185 20 0 BAADRO CN(C(=O)C(=O)Nc1cnn(C)c1)C1C[NH2+]C1 ZINC000633002207 373248599 /nfs/dbraw/zinc/24/85/99/373248599.db2.gz HOTRLMJGXWKHLI-UHFFFAOYSA-N 1 0 237.263 -1.211 20 0 BAADRO Cn1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)n1 ZINC000633026138 411837903 /nfs/dbraw/zinc/83/79/03/411837903.db2.gz DYNGEZKQHKKVCY-YUMQZZPRSA-N 1 0 249.274 -1.069 20 0 BAADRO Cn1cc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cn1 ZINC000633026444 373254741 /nfs/dbraw/zinc/25/47/41/373254741.db2.gz UCCMTNPQBICYHT-CBAPKCEASA-N 1 0 249.274 -1.069 20 0 BAADRO Cn1nccc1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633029825 373255097 /nfs/dbraw/zinc/25/50/97/373255097.db2.gz NZNHLBNCOCMBOK-YUMQZZPRSA-N 1 0 249.274 -1.069 20 0 BAADRO CC[C@@H](NC(C)=O)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000633071138 373283419 /nfs/dbraw/zinc/28/34/19/373283419.db2.gz CRXSPSBOEYCDDZ-NXEZZACHSA-N 1 0 245.323 -1.060 20 0 BAADRO CC[C@H](NC(C)=O)C(=O)N[C@H](CO)C[NH+](C)C ZINC000633071139 373283673 /nfs/dbraw/zinc/28/36/73/373283673.db2.gz CRXSPSBOEYCDDZ-UWVGGRQHSA-N 1 0 245.323 -1.060 20 0 BAADRO CC[C@@H](NC(C)=O)C(=O)N[C@H](CO)C[NH+](C)C ZINC000633071140 373283941 /nfs/dbraw/zinc/28/39/41/373283941.db2.gz CRXSPSBOEYCDDZ-VHSXEESVSA-N 1 0 245.323 -1.060 20 0 BAADRO CC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000633071141 373283492 /nfs/dbraw/zinc/28/34/92/373283492.db2.gz CRXSPSBOEYCDDZ-ZJUUUORDSA-N 1 0 245.323 -1.060 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)CCc1cn[nH]n1 ZINC000633071197 373283751 /nfs/dbraw/zinc/28/37/51/373283751.db2.gz DWIJYNOLDOHSEB-SECBINFHSA-N 1 0 241.295 -1.224 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)CCc1cn[nH]n1 ZINC000633071198 373283433 /nfs/dbraw/zinc/28/34/33/373283433.db2.gz DWIJYNOLDOHSEB-VIFPVBQESA-N 1 0 241.295 -1.224 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)c1cc(CO)on1 ZINC000633071512 373283368 /nfs/dbraw/zinc/28/33/68/373283368.db2.gz HRENTOVLCPUUIQ-SSDOTTSWSA-N 1 0 243.263 -1.181 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)c1cc(CO)on1 ZINC000633071515 373283550 /nfs/dbraw/zinc/28/35/50/373283550.db2.gz HRENTOVLCPUUIQ-ZETCQYMHSA-N 1 0 243.263 -1.181 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CCC(=O)N1 ZINC000633072105 373285137 /nfs/dbraw/zinc/28/51/37/373285137.db2.gz LZEACCDJQMIWAU-SFYZADRCSA-N 1 0 229.280 -1.696 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1CCC(=O)N1 ZINC000633072111 373285031 /nfs/dbraw/zinc/28/50/31/373285031.db2.gz LZEACCDJQMIWAU-YUMQZZPRSA-N 1 0 229.280 -1.696 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)Cc1nc[nH]n1 ZINC000633072145 373285117 /nfs/dbraw/zinc/28/51/17/373285117.db2.gz MKSOHICMPDHZOE-SSDOTTSWSA-N 1 0 227.268 -1.614 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)Cc1nc[nH]n1 ZINC000633072160 373277260 /nfs/dbraw/zinc/27/72/60/373277260.db2.gz MKSOHICMPDHZOE-ZETCQYMHSA-N 1 0 227.268 -1.614 20 0 BAADRO Cn1c(C(=O)N[C@@H](CO)C[NH+](C)C)c[nH]c1=O ZINC000633073350 373285439 /nfs/dbraw/zinc/28/54/39/373285439.db2.gz VJOKWJVVEKJMSO-SSDOTTSWSA-N 1 0 242.279 -1.222 20 0 BAADRO Cn1c(C(=O)N[C@H](CO)C[NH+](C)C)c[nH]c1=O ZINC000633073476 373285602 /nfs/dbraw/zinc/28/56/02/373285602.db2.gz VJOKWJVVEKJMSO-ZETCQYMHSA-N 1 0 242.279 -1.222 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@H]1CCCNC1=O ZINC000633073945 373285628 /nfs/dbraw/zinc/28/56/28/373285628.db2.gz ZATDNBAQZYCBBQ-BDAKNGLRSA-N 1 0 243.307 -1.449 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1CCCNC1=O ZINC000633073947 373285663 /nfs/dbraw/zinc/28/56/63/373285663.db2.gz ZATDNBAQZYCBBQ-DTWKUNHWSA-N 1 0 243.307 -1.449 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1CCCNC1=O ZINC000633073948 373285402 /nfs/dbraw/zinc/28/54/02/373285402.db2.gz ZATDNBAQZYCBBQ-IUCAKERBSA-N 1 0 243.307 -1.449 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CCCNC1=O ZINC000633073949 373285483 /nfs/dbraw/zinc/28/54/83/373285483.db2.gz ZATDNBAQZYCBBQ-RKDXNWHRSA-N 1 0 243.307 -1.449 20 0 BAADRO O=C(C(=O)N1CCOCC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633074329 373285644 /nfs/dbraw/zinc/28/56/44/373285644.db2.gz AZENWPWTNVUVGU-IUCAKERBSA-N 1 0 239.275 -1.582 20 0 BAADRO COCCN(C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633077780 373287482 /nfs/dbraw/zinc/28/74/82/373287482.db2.gz DSNVYLAYEHZPMC-IUCAKERBSA-N 1 0 241.291 -1.336 20 0 BAADRO C[C@H](O)CN(C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633113102 373297208 /nfs/dbraw/zinc/29/72/08/373297208.db2.gz CHHBIPIAMDEVRB-CIUDSAMLSA-N 1 0 241.291 -1.602 20 0 BAADRO C[C@@H](O)CN(C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633113103 373296719 /nfs/dbraw/zinc/29/67/19/373296719.db2.gz CHHBIPIAMDEVRB-VGMNWLOBSA-N 1 0 241.291 -1.602 20 0 BAADRO CN(CCO)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633113469 373290407 /nfs/dbraw/zinc/29/04/07/373290407.db2.gz IDTBYLVNAVECPQ-YUMQZZPRSA-N 1 0 227.264 -1.990 20 0 BAADRO C[C@@H]1CN(C(=O)C(=O)N(C)CCO)C[C@H]1C[NH3+] ZINC000633113552 373296919 /nfs/dbraw/zinc/29/69/19/373296919.db2.gz NPHYAWNFCXNEQX-RKDXNWHRSA-N 1 0 243.307 -1.510 20 0 BAADRO C[C@H](O)CN(C)C(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000633114958 373297435 /nfs/dbraw/zinc/29/74/35/373297435.db2.gz FDFBFOCPJXEYIN-CIUDSAMLSA-N 1 0 243.307 -1.226 20 0 BAADRO C[C@H](O)CN(C)C(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000633114959 373296892 /nfs/dbraw/zinc/29/68/92/373296892.db2.gz FDFBFOCPJXEYIN-HRDYMLBCSA-N 1 0 243.307 -1.226 20 0 BAADRO C[C@H](O)CN(C)C(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000633114960 373297464 /nfs/dbraw/zinc/29/74/64/373297464.db2.gz FDFBFOCPJXEYIN-VGMNWLOBSA-N 1 0 243.307 -1.226 20 0 BAADRO C[C@H](O)CN(C)C(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000633114961 373297091 /nfs/dbraw/zinc/29/70/91/373297091.db2.gz FDFBFOCPJXEYIN-XHNCKOQMSA-N 1 0 243.307 -1.226 20 0 BAADRO CN(CCO)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633116011 373297423 /nfs/dbraw/zinc/29/74/23/373297423.db2.gz NSAVQGOKXLAPLK-DTORHVGOSA-N 1 0 241.291 -1.600 20 0 BAADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CCO ZINC000633116337 373296704 /nfs/dbraw/zinc/29/67/04/373296704.db2.gz RVZHVSYXJIOGMD-HTQZYQBOSA-N 1 0 229.280 -1.615 20 0 BAADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CCO ZINC000633116338 373297653 /nfs/dbraw/zinc/29/76/53/373297653.db2.gz RVZHVSYXJIOGMD-JGVFFNPUSA-N 1 0 229.280 -1.615 20 0 BAADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CCO ZINC000633116339 373296998 /nfs/dbraw/zinc/29/69/98/373296998.db2.gz RVZHVSYXJIOGMD-SFYZADRCSA-N 1 0 229.280 -1.615 20 0 BAADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CCO ZINC000633116340 373295538 /nfs/dbraw/zinc/29/55/38/373295538.db2.gz RVZHVSYXJIOGMD-YUMQZZPRSA-N 1 0 229.280 -1.615 20 0 BAADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCOCC1 ZINC000633116586 373297324 /nfs/dbraw/zinc/29/73/24/373297324.db2.gz VOSAHWGMVKUQLX-BDAKNGLRSA-N 1 0 241.291 -1.207 20 0 BAADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCOCC1 ZINC000633116587 373297352 /nfs/dbraw/zinc/29/73/52/373297352.db2.gz VOSAHWGMVKUQLX-DTWKUNHWSA-N 1 0 241.291 -1.207 20 0 BAADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCOCC1 ZINC000633116588 373295615 /nfs/dbraw/zinc/29/56/15/373295615.db2.gz VOSAHWGMVKUQLX-IUCAKERBSA-N 1 0 241.291 -1.207 20 0 BAADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCOCC1 ZINC000633116667 373297442 /nfs/dbraw/zinc/29/74/42/373297442.db2.gz VOSAHWGMVKUQLX-RKDXNWHRSA-N 1 0 241.291 -1.207 20 0 BAADRO C[NH+](C)[C@H]1CN(C(=O)Cc2nnc[nH]2)C[C@@H]1O ZINC000633150701 398330180 /nfs/dbraw/zinc/33/01/80/398330180.db2.gz HOAWBJRLPNAUBH-YUMQZZPRSA-N 1 0 239.279 -1.520 20 0 BAADRO O=C(CO)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000633481257 373571289 /nfs/dbraw/zinc/57/12/89/373571289.db2.gz NNUMNIPMUQBZFM-SECBINFHSA-N 1 0 216.281 -1.058 20 0 BAADRO CN(CC1C[NH+](C)C1)C(=O)Cn1cnc(N)n1 ZINC000633623872 411866621 /nfs/dbraw/zinc/86/66/21/411866621.db2.gz AOTLRDARWBNVLX-UHFFFAOYSA-N 1 0 238.295 -1.120 20 0 BAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2COC[C@@H]2O)C1 ZINC000633854382 373813485 /nfs/dbraw/zinc/81/34/85/373813485.db2.gz XMVZCUHPOLKXNS-HLTSFMKQSA-N 1 0 214.265 -1.186 20 0 BAADRO C[C@@H](C(=O)N[C@@H]1COC[C@@H]1O)[NH+](C)C ZINC000633854888 373814049 /nfs/dbraw/zinc/81/40/49/373814049.db2.gz LWQHVPBKTGNXOR-RNJXMRFFSA-N 1 0 202.254 -1.188 20 0 BAADRO CN1CCO[C@@H](C(=O)N[C@@H]2COC[C@@H]2O)C1 ZINC000633854918 373813715 /nfs/dbraw/zinc/81/37/15/373813715.db2.gz NHZIXRVZNYQVPL-HRDYMLBCSA-N 1 0 230.264 -1.807 20 0 BAADRO CN1CCO[C@H](C(=O)N[C@@H]2COC[C@@H]2O)C1 ZINC000633854919 373814348 /nfs/dbraw/zinc/81/43/48/373814348.db2.gz NHZIXRVZNYQVPL-VGMNWLOBSA-N 1 0 230.264 -1.807 20 0 BAADRO CCN1CCO[C@@H](C(=O)N[C@@H]2COC[C@@H]2O)C1 ZINC000633854991 373814210 /nfs/dbraw/zinc/81/42/10/373814210.db2.gz PUHCEINWEWMFJJ-KXUCPTDWSA-N 1 0 244.291 -1.417 20 0 BAADRO CCN1CCO[C@H](C(=O)N[C@@H]2COC[C@@H]2O)C1 ZINC000633854992 373813815 /nfs/dbraw/zinc/81/38/15/373813815.db2.gz PUHCEINWEWMFJJ-UTLUCORTSA-N 1 0 244.291 -1.417 20 0 BAADRO C[NH+](C)C1(C(=O)N[C@@H]2COC[C@@H]2O)CC1 ZINC000633857032 373819709 /nfs/dbraw/zinc/81/97/09/373819709.db2.gz UVJYNRKQQJMEHW-SFYZADRCSA-N 1 0 214.265 -1.044 20 0 BAADRO CC(C)NC(=O)CN(C)CC(=O)NC1COC1 ZINC000634252913 374052601 /nfs/dbraw/zinc/05/26/01/374052601.db2.gz GUYNXIWWZQIELR-UHFFFAOYSA-N 1 0 243.307 -1.042 20 0 BAADRO O=C(NC1COC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000634256781 374062459 /nfs/dbraw/zinc/06/24/59/374062459.db2.gz KWKQIAYUCCYHJG-JTQLQIEISA-N 1 0 225.292 -1.109 20 0 BAADRO O=C(NC1COC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000634256786 374061746 /nfs/dbraw/zinc/06/17/46/374061746.db2.gz KWKQIAYUCCYHJG-SNVBAGLBSA-N 1 0 225.292 -1.109 20 0 BAADRO N[C@@]1(C(=O)NCCN2CC[NH2+]CC2)CC1(F)F ZINC000634280748 374090171 /nfs/dbraw/zinc/09/01/71/374090171.db2.gz QQGVDHDEGKKCFR-SECBINFHSA-N 1 0 248.277 -1.256 20 0 BAADRO N[C@]1(C(=O)NCCN2CC[NH2+]CC2)CC1(F)F ZINC000634280750 374090184 /nfs/dbraw/zinc/09/01/84/374090184.db2.gz QQGVDHDEGKKCFR-VIFPVBQESA-N 1 0 248.277 -1.256 20 0 BAADRO C[NH+](C)CC(=O)N[C@@H]1COCC[C@H]1O ZINC000634462738 361982677 /nfs/dbraw/zinc/98/26/77/361982677.db2.gz YDJJPMAHSPKQOQ-HTQZYQBOSA-N 1 0 202.254 -1.186 20 0 BAADRO CN1CCO[C@H](C(=O)N[C@@H]2COCC[C@H]2O)C1 ZINC000634463067 361981550 /nfs/dbraw/zinc/98/15/50/361981550.db2.gz KWWIECQYJYTZKA-BBBLOLIVSA-N 1 0 244.291 -1.417 20 0 BAADRO CN1CCO[C@@H](C(=O)N[C@@H]2COCC[C@H]2O)C1 ZINC000634463068 361981705 /nfs/dbraw/zinc/98/17/05/361981705.db2.gz KWWIECQYJYTZKA-OPRDCNLKSA-N 1 0 244.291 -1.417 20 0 BAADRO O=C1C[C@@H]([N@@H+]2C[C@@H]3COC[C@@H]3C2)C(=O)N1 ZINC000634533652 362027676 /nfs/dbraw/zinc/02/76/76/362027676.db2.gz LBSQGQIKYHIJAP-GJMOJQLCSA-N 1 0 210.233 -1.020 20 0 BAADRO O=C1C[C@H]([N@@H+]2C[C@@H]3COC[C@@H]3C2)C(=O)N1 ZINC000634533653 362028524 /nfs/dbraw/zinc/02/85/24/362028524.db2.gz LBSQGQIKYHIJAP-RNJXMRFFSA-N 1 0 210.233 -1.020 20 0 BAADRO C[NH+](C)CCN1NC(=O)COCC1=O ZINC000634589088 342935124 /nfs/dbraw/zinc/93/51/24/342935124.db2.gz NTCIVMBZKIJMNJ-UHFFFAOYSA-N 1 0 201.226 -1.562 20 0 BAADRO Cn1nccc1CCN(CC[NH3+])C[C@@H](O)CO ZINC000634688435 343247131 /nfs/dbraw/zinc/24/71/31/343247131.db2.gz SGTSGOXDMIYFKZ-LLVKDONJSA-N 1 0 242.323 -1.424 20 0 BAADRO Cn1nccc1CCN(CC[NH3+])C[C@H](O)CO ZINC000634688436 343247119 /nfs/dbraw/zinc/24/71/19/343247119.db2.gz SGTSGOXDMIYFKZ-NSHDSACASA-N 1 0 242.323 -1.424 20 0 BAADRO C[C@@](O)(C[C@@H](O)C[NH2+]C(CO)CO)C1CC1 ZINC000634718319 343710007 /nfs/dbraw/zinc/71/00/07/343710007.db2.gz AJKFOVDGDKONKW-GHMZBOCLSA-N 1 0 233.308 -1.159 20 0 BAADRO C[C@](O)(C[C@@H](O)C[NH2+]C(CO)CO)C1CC1 ZINC000634718320 343710221 /nfs/dbraw/zinc/71/02/21/343710221.db2.gz AJKFOVDGDKONKW-MNOVXSKESA-N 1 0 233.308 -1.159 20 0 BAADRO C[C@](O)(C[C@H](O)C[NH2+]C(CO)CO)C1CC1 ZINC000634718321 343710123 /nfs/dbraw/zinc/71/01/23/343710123.db2.gz AJKFOVDGDKONKW-QWRGUYRKSA-N 1 0 233.308 -1.159 20 0 BAADRO C[C@@](O)(C[C@H](O)C[NH2+]C(CO)CO)C1CC1 ZINC000634718322 343710160 /nfs/dbraw/zinc/71/01/60/343710160.db2.gz AJKFOVDGDKONKW-WDEREUQCSA-N 1 0 233.308 -1.159 20 0 BAADRO C[C@](O)(C[C@H](O)C[NH2+]C[C@@H](O)CO)C1CC1 ZINC000634718887 343710136 /nfs/dbraw/zinc/71/01/36/343710136.db2.gz KSNMDZZHOVYZDZ-AXFHLTTASA-N 1 0 233.308 -1.159 20 0 BAADRO C[C@](O)(C[C@H](O)C[NH2+]C[C@H](O)CO)C1CC1 ZINC000634718888 343710217 /nfs/dbraw/zinc/71/02/17/343710217.db2.gz KSNMDZZHOVYZDZ-DCAQKATOSA-N 1 0 233.308 -1.159 20 0 BAADRO C[C@](O)(C[C@@H](O)C[NH2+]C[C@@H](O)CO)C1CC1 ZINC000634718889 343710182 /nfs/dbraw/zinc/71/01/82/343710182.db2.gz KSNMDZZHOVYZDZ-MXWKQRLJSA-N 1 0 233.308 -1.159 20 0 BAADRO C[C@](O)(C[C@@H](O)C[NH2+]C[C@H](O)CO)C1CC1 ZINC000634718890 343710114 /nfs/dbraw/zinc/71/01/14/343710114.db2.gz KSNMDZZHOVYZDZ-VWYCJHECSA-N 1 0 233.308 -1.159 20 0 BAADRO CCOC[C@@H](O)C[NH2+][C@@H]1COC[C@@H]1O ZINC000634725024 343945741 /nfs/dbraw/zinc/94/57/41/343945741.db2.gz DQVYPCVXENRWJA-YIZRAAEISA-N 1 0 205.254 -1.267 20 0 BAADRO C[N@H+](C[C@@H](O)CN[C@@H]1COC[C@@H]1O)C1CC1 ZINC000634725051 343945746 /nfs/dbraw/zinc/94/57/46/343945746.db2.gz FUXWXNCZODNMHW-AXFHLTTASA-N 1 0 230.308 -1.209 20 0 BAADRO O[C@@H](CN[C@@H]1COC[C@@H]1O)C[NH+]1CCCC1 ZINC000634725489 398124192 /nfs/dbraw/zinc/12/41/92/398124192.db2.gz VBAFYWYMHJQWPL-AXFHLTTASA-N 1 0 230.308 -1.208 20 0 BAADRO CNS(=O)(=O)CCC[NH2+]C[C@@H](C)O ZINC000634727327 343958425 /nfs/dbraw/zinc/95/84/25/343958425.db2.gz QYXJEWWTDVACMQ-SSDOTTSWSA-N 1 0 210.299 -1.104 20 0 BAADRO CNS(=O)(=O)CCC[NH2+]C[C@H](C)O ZINC000634727328 343958162 /nfs/dbraw/zinc/95/81/62/343958162.db2.gz QYXJEWWTDVACMQ-ZETCQYMHSA-N 1 0 210.299 -1.104 20 0 BAADRO O=C(N1CCOCC(F)(F)C1)C1(O)C[NH2+]C1 ZINC000634739753 344162213 /nfs/dbraw/zinc/16/22/13/344162213.db2.gz FDEZHNGLIWWUEL-UHFFFAOYSA-N 1 0 236.218 -1.185 20 0 BAADRO O=C(Cn1cnnn1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634765607 344276709 /nfs/dbraw/zinc/27/67/09/344276709.db2.gz XGKARQFGGJYYHH-SCZZXKLOSA-N 1 0 236.279 -1.069 20 0 BAADRO O=C(N1C[C@@H]2COC[C@@H]2C1)C1(O)C[NH2+]C1 ZINC000634773679 344292017 /nfs/dbraw/zinc/29/20/17/344292017.db2.gz MZIBMATVIBHFFJ-OCAPTIKFSA-N 1 0 212.249 -1.575 20 0 BAADRO O=C(CN1CC[NH2+]CC1)N1C[C@@H]2COC[C@@H]2C1 ZINC000634773800 344292685 /nfs/dbraw/zinc/29/26/85/344292685.db2.gz RAIAWDGZGYPFQO-PHIMTYICSA-N 1 0 239.319 -1.004 20 0 BAADRO C[NH+](C)CCN1CCN(C(=O)C(N)=O)CC1 ZINC000635137371 345255868 /nfs/dbraw/zinc/25/58/68/345255868.db2.gz OSVNLTZFKOKDOC-UHFFFAOYSA-N 1 0 228.296 -1.823 20 0 BAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(N)=O)C1 ZINC000635137926 345256116 /nfs/dbraw/zinc/25/61/16/345256116.db2.gz FDXUSDUBIDDNOJ-SECBINFHSA-N 1 0 243.307 -1.055 20 0 BAADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(N)=O)C1 ZINC000635137933 345255822 /nfs/dbraw/zinc/25/58/22/345255822.db2.gz FDXUSDUBIDDNOJ-VIFPVBQESA-N 1 0 243.307 -1.055 20 0 BAADRO COCCNC(=O)CNC(=O)[C@@H](C)[NH+](C)C ZINC000635153435 345259429 /nfs/dbraw/zinc/25/94/29/345259429.db2.gz SZCWZVKNZYSIQX-MRVPVSSYSA-N 1 0 231.296 -1.185 20 0 BAADRO C[C@H](C(=O)NCCNS(C)(=O)=O)[NH+](C)C ZINC000635200726 345272078 /nfs/dbraw/zinc/27/20/78/345272078.db2.gz VZIUNJBFCWFMEV-SSDOTTSWSA-N 1 0 237.325 -1.398 20 0 BAADRO CC(C)(C[NH+]1CCOCC1)C(=O)NCC(N)=O ZINC000635212912 345275067 /nfs/dbraw/zinc/27/50/67/345275067.db2.gz YNEQPJJBQYXAGW-UHFFFAOYSA-N 1 0 243.307 -1.054 20 0 BAADRO COCC[N@@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC000635422285 345358612 /nfs/dbraw/zinc/35/86/12/345358612.db2.gz OYGVYPKDYNKKOX-UHFFFAOYSA-N 1 0 229.280 -1.348 20 0 BAADRO C[C@H](C(=O)N1CCN(CC(N)=O)CC1)[NH+](C)C ZINC000635430893 345363461 /nfs/dbraw/zinc/36/34/61/345363461.db2.gz RVRDVJFBONPOKC-SECBINFHSA-N 1 0 242.323 -1.434 20 0 BAADRO C[C@H](C(=O)N1CCO[C@@H](C(N)=O)C1)[NH+](C)C ZINC000635456475 345378194 /nfs/dbraw/zinc/37/81/94/345378194.db2.gz QWTXZOSWXANSSM-HTQZYQBOSA-N 1 0 229.280 -1.351 20 0 BAADRO C[C@H](C(=O)N1CCO[C@H](C(N)=O)C1)[NH+](C)C ZINC000635456478 345378440 /nfs/dbraw/zinc/37/84/40/345378440.db2.gz QWTXZOSWXANSSM-SFYZADRCSA-N 1 0 229.280 -1.351 20 0 BAADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(N)=O ZINC000635501649 345400492 /nfs/dbraw/zinc/40/04/92/345400492.db2.gz QFTHEIYAJODSDZ-MRVPVSSYSA-N 1 0 229.280 -1.301 20 0 BAADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(N)=O ZINC000635501650 345400817 /nfs/dbraw/zinc/40/08/17/345400817.db2.gz QFTHEIYAJODSDZ-QMMMGPOBSA-N 1 0 229.280 -1.301 20 0 BAADRO COCCN(CC[NH+](C)C)C(=O)C(N)=O ZINC000635503920 345403834 /nfs/dbraw/zinc/40/38/34/345403834.db2.gz JEQSEIYQIURLHE-UHFFFAOYSA-N 1 0 217.269 -1.492 20 0 BAADRO COCC[N@@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC000635530688 384469529 /nfs/dbraw/zinc/46/95/29/384469529.db2.gz JBLJTTQBEMVMNR-MRVPVSSYSA-N 1 0 229.280 -1.301 20 0 BAADRO COCC[N@@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC000635530689 384469805 /nfs/dbraw/zinc/46/98/05/384469805.db2.gz JBLJTTQBEMVMNR-QMMMGPOBSA-N 1 0 229.280 -1.301 20 0 BAADRO C[C@H](C(=O)NCCN1C(=O)CNC1=O)[NH+](C)C ZINC000635561280 345764168 /nfs/dbraw/zinc/76/41/68/345764168.db2.gz CVUVFSGFQPTXEZ-SSDOTTSWSA-N 1 0 242.279 -1.396 20 0 BAADRO COCCC[N@H+](C)CCNC(=O)C(N)=O ZINC000635605389 345889501 /nfs/dbraw/zinc/88/95/01/345889501.db2.gz BBJAUHPWAGKYDE-UHFFFAOYSA-N 1 0 217.269 -1.444 20 0 BAADRO C[C@H](C(=O)N1C[C@H](O)C[C@H](O)C1)[NH+](C)C ZINC000635638869 345912680 /nfs/dbraw/zinc/91/26/80/345912680.db2.gz VQAWVHJFOYXHMQ-HLTSFMKQSA-N 1 0 216.281 -1.109 20 0 BAADRO CCO[C@H](CC[NH+](C)C)CNC(=O)C(N)=O ZINC000635665279 345967393 /nfs/dbraw/zinc/96/73/93/345967393.db2.gz RRLDYRZNDHEZHG-MRVPVSSYSA-N 1 0 231.296 -1.055 20 0 BAADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(N)=O ZINC000635665294 345967569 /nfs/dbraw/zinc/96/75/69/345967569.db2.gz RRLDYRZNDHEZHG-QMMMGPOBSA-N 1 0 231.296 -1.055 20 0 BAADRO C[C@H](C(=O)NCCn1ncnn1)[NH+](C)C ZINC000635684040 345977467 /nfs/dbraw/zinc/97/74/67/345977467.db2.gz NYAJLYJWIAIVBM-SSDOTTSWSA-N 1 0 212.257 -1.261 20 0 BAADRO C[NH+](C)CC1(C(=O)NCCOCC(N)=O)CC1 ZINC000635686014 345973120 /nfs/dbraw/zinc/97/31/20/345973120.db2.gz UOJIQHNWMXIDKX-UHFFFAOYSA-N 1 0 243.307 -1.054 20 0 BAADRO C[NH+](C)CC1(C(=O)NCC(=O)NCCO)CC1 ZINC000635691834 345980577 /nfs/dbraw/zinc/98/05/77/345980577.db2.gz UEIJBVPCSPIZNB-UHFFFAOYSA-N 1 0 243.307 -1.447 20 0 BAADRO CC[C@H](CO)N1CCN(C(=O)C(N)=O)CC1 ZINC000635713552 346025525 /nfs/dbraw/zinc/02/55/25/346025525.db2.gz CPEUTVQWUBYMPO-MRVPVSSYSA-N 1 0 229.280 -1.613 20 0 BAADRO CC[C@@H](CO)N1CCN(C(=O)C(N)=O)CC1 ZINC000635713553 346025492 /nfs/dbraw/zinc/02/54/92/346025492.db2.gz CPEUTVQWUBYMPO-QMMMGPOBSA-N 1 0 229.280 -1.613 20 0 BAADRO C[C@H](C(=O)N[C@@H]1CCC(=O)NC1=O)[NH+](C)C ZINC000635716991 346027332 /nfs/dbraw/zinc/02/73/32/346027332.db2.gz XOCFHHQZIBCFQK-RNFRBKRXSA-N 1 0 227.264 -1.142 20 0 BAADRO C[C@H](C(=O)N[C@H]1CCC(=O)NC1=O)[NH+](C)C ZINC000635716995 346027694 /nfs/dbraw/zinc/02/76/94/346027694.db2.gz XOCFHHQZIBCFQK-RQJHMYQMSA-N 1 0 227.264 -1.142 20 0 BAADRO C[C@H](C(=O)N1CCN(C(=O)CO)CC1)[NH+](C)C ZINC000635740655 346043444 /nfs/dbraw/zinc/04/34/44/346043444.db2.gz PHWQMOAEBYZVJU-SECBINFHSA-N 1 0 243.307 -1.400 20 0 BAADRO C[C@H](C(=O)N1C[C@@H](O)C[C@@H]1CO)[NH+](C)C ZINC000635741829 346054576 /nfs/dbraw/zinc/05/45/76/346054576.db2.gz HCURZFJUVCGZHT-HLTSFMKQSA-N 1 0 216.281 -1.109 20 0 BAADRO C[C@H](C(=O)N1C[C@H](O)C[C@H]1CO)[NH+](C)C ZINC000635741830 346054822 /nfs/dbraw/zinc/05/48/22/346054822.db2.gz HCURZFJUVCGZHT-HRDYMLBCSA-N 1 0 216.281 -1.109 20 0 BAADRO C[C@H](C(=O)N1C[C@H](O)C[C@@H]1CO)[NH+](C)C ZINC000635741831 346054497 /nfs/dbraw/zinc/05/44/97/346054497.db2.gz HCURZFJUVCGZHT-IWSPIJDZSA-N 1 0 216.281 -1.109 20 0 BAADRO C[C@H](C(=O)N1C[C@@H](O)C[C@H]1CO)[NH+](C)C ZINC000635741832 346054741 /nfs/dbraw/zinc/05/47/41/346054741.db2.gz HCURZFJUVCGZHT-VGMNWLOBSA-N 1 0 216.281 -1.109 20 0 BAADRO C[NH+](C)CC1(C(=O)NC(CO)CO)CC1 ZINC000635752592 346049674 /nfs/dbraw/zinc/04/96/74/346049674.db2.gz BXCAWPBGTUTNEQ-UHFFFAOYSA-N 1 0 216.281 -1.202 20 0 BAADRO C[N@@H+]1CC[C@H](CC(=O)NC(CO)CO)C1 ZINC000635752631 346049946 /nfs/dbraw/zinc/04/99/46/346049946.db2.gz CFLIHBFUVUSSBE-MRVPVSSYSA-N 1 0 216.281 -1.202 20 0 BAADRO C[N@@H+]1CC[C@@H](CC(=O)NC(CO)CO)C1 ZINC000635752632 346049777 /nfs/dbraw/zinc/04/97/77/346049777.db2.gz CFLIHBFUVUSSBE-QMMMGPOBSA-N 1 0 216.281 -1.202 20 0 BAADRO C[C@H](C(=O)NC[C@H](C)S(N)(=O)=O)[NH+](C)C ZINC000635756350 346051190 /nfs/dbraw/zinc/05/11/90/346051190.db2.gz UNPBLRSFIOOIBX-NKWVEPMBSA-N 1 0 237.325 -1.270 20 0 BAADRO C[C@H](CNC(=O)[C@@H](C)[NH+](C)C)S(N)(=O)=O ZINC000635756357 346051356 /nfs/dbraw/zinc/05/13/56/346051356.db2.gz UNPBLRSFIOOIBX-RNFRBKRXSA-N 1 0 237.325 -1.270 20 0 BAADRO C[C@H](C(=O)N(C)C[C@H](O)CO)[NH+](C)C ZINC000635759601 346052800 /nfs/dbraw/zinc/05/28/00/346052800.db2.gz XQHZKMARKGYXSU-SFYZADRCSA-N 1 0 204.270 -1.252 20 0 BAADRO CN1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(=O)N1 ZINC000635765669 384901582 /nfs/dbraw/zinc/90/15/82/384901582.db2.gz FNPZWCPCXPYFBW-BDAKNGLRSA-N 1 0 240.307 -1.210 20 0 BAADRO CN1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(=O)N1 ZINC000635765687 384902608 /nfs/dbraw/zinc/90/26/08/384902608.db2.gz FNPZWCPCXPYFBW-DTWKUNHWSA-N 1 0 240.307 -1.210 20 0 BAADRO CN1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(=O)N1 ZINC000635765689 384907523 /nfs/dbraw/zinc/90/75/23/384907523.db2.gz FNPZWCPCXPYFBW-IUCAKERBSA-N 1 0 240.307 -1.210 20 0 BAADRO CN1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(=O)N1 ZINC000635765693 384907052 /nfs/dbraw/zinc/90/70/52/384907052.db2.gz FNPZWCPCXPYFBW-RKDXNWHRSA-N 1 0 240.307 -1.210 20 0 BAADRO C[C@H](C(=O)N[C@@H]1CN(C)NC1=O)[NH+](C)C ZINC000635766101 384905357 /nfs/dbraw/zinc/90/53/57/384905357.db2.gz KXYWFBPIPCBEOY-RNFRBKRXSA-N 1 0 214.269 -1.602 20 0 BAADRO C[C@H](C(=O)N[C@H]1CN(C)NC1=O)[NH+](C)C ZINC000635766111 384905653 /nfs/dbraw/zinc/90/56/53/384905653.db2.gz KXYWFBPIPCBEOY-RQJHMYQMSA-N 1 0 214.269 -1.602 20 0 BAADRO CN1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C(=O)N1 ZINC000635766214 384905676 /nfs/dbraw/zinc/90/56/76/384905676.db2.gz IBSNMFBCRXYKSG-MRVPVSSYSA-N 1 0 240.307 -1.210 20 0 BAADRO CN1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C(=O)N1 ZINC000635766217 384908145 /nfs/dbraw/zinc/90/81/45/384908145.db2.gz IBSNMFBCRXYKSG-QMMMGPOBSA-N 1 0 240.307 -1.210 20 0 BAADRO C[C@@H](C(=O)N[C@H]1CN(C)NC1=O)[NH+](C)C ZINC000635766876 346057995 /nfs/dbraw/zinc/05/79/95/346057995.db2.gz KXYWFBPIPCBEOY-BQBZGAKWSA-N 1 0 214.269 -1.602 20 0 BAADRO C[C@@H](C(=O)N[C@@H]1CN(C)NC1=O)[NH+](C)C ZINC000635766877 346057867 /nfs/dbraw/zinc/05/78/67/346057867.db2.gz KXYWFBPIPCBEOY-NKWVEPMBSA-N 1 0 214.269 -1.602 20 0 BAADRO C[C@H](C(=O)NC(C)(CO)CO)[NH+](C)C ZINC000635785129 346068979 /nfs/dbraw/zinc/06/89/79/346068979.db2.gz BBLFCMBJDJQRJK-SSDOTTSWSA-N 1 0 204.270 -1.204 20 0 BAADRO CNC(=O)[C@@H]1CN(C(=O)[C@@H](C)[NH+](C)C)CCO1 ZINC000635787401 346069599 /nfs/dbraw/zinc/06/95/99/346069599.db2.gz XDNNSQQWHIDCIR-BDAKNGLRSA-N 1 0 243.307 -1.090 20 0 BAADRO CNC(=O)[C@H]1CN(C(=O)[C@@H](C)[NH+](C)C)CCO1 ZINC000635787402 346069504 /nfs/dbraw/zinc/06/95/04/346069504.db2.gz XDNNSQQWHIDCIR-RKDXNWHRSA-N 1 0 243.307 -1.090 20 0 BAADRO C[C@H](C(=O)NCCN1CCNC(=O)C1)[NH+](C)C ZINC000635788227 346069507 /nfs/dbraw/zinc/06/95/07/346069507.db2.gz QZMXJOBPOVIAEE-SECBINFHSA-N 1 0 242.323 -1.516 20 0 BAADRO CC[NH+](CC)CCOCCNC(=O)C(N)=O ZINC000635795444 346065703 /nfs/dbraw/zinc/06/57/03/346065703.db2.gz QQWISHVRAMEICP-UHFFFAOYSA-N 1 0 231.296 -1.054 20 0 BAADRO C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2C[C@@H](O)C2)C1 ZINC000635802259 346068090 /nfs/dbraw/zinc/06/80/90/346068090.db2.gz RQJWGMCMZUUQJW-NGZCFLSTSA-N 1 0 228.292 -1.060 20 0 BAADRO C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[C@@H](O)C2)C1 ZINC000635802260 346068340 /nfs/dbraw/zinc/06/83/40/346068340.db2.gz RQJWGMCMZUUQJW-WCABBAIRSA-N 1 0 228.292 -1.060 20 0 BAADRO CNS(=O)(=O)CCNC(=O)[C@@H](C)[NH+](C)C ZINC000635837785 346082557 /nfs/dbraw/zinc/08/25/57/346082557.db2.gz PVVBCHLTYMZWCY-SSDOTTSWSA-N 1 0 237.325 -1.398 20 0 BAADRO C[N@H+](CC(=O)NC[C@@H](O)C(N)=O)CC(C)(C)C ZINC000635860679 346087810 /nfs/dbraw/zinc/08/78/10/346087810.db2.gz CRNXEEMGQZPGMB-MRVPVSSYSA-N 1 0 245.323 -1.073 20 0 BAADRO C[N@H+](CC(=O)NC[C@H](O)C(N)=O)CC(C)(C)C ZINC000635860683 346087616 /nfs/dbraw/zinc/08/76/16/346087616.db2.gz CRNXEEMGQZPGMB-QMMMGPOBSA-N 1 0 245.323 -1.073 20 0 BAADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)C(N)=O)C1 ZINC000635861388 346088039 /nfs/dbraw/zinc/08/80/39/346088039.db2.gz MEOUKOSMZIHQNW-JTQLQIEISA-N 1 0 229.280 -1.613 20 0 BAADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)C(N)=O)C1 ZINC000635861389 346087920 /nfs/dbraw/zinc/08/79/20/346087920.db2.gz MEOUKOSMZIHQNW-SNVBAGLBSA-N 1 0 229.280 -1.613 20 0 BAADRO C[C@H](C(=O)NC[C@](C)(O)CO)[NH+](C)C ZINC000635883648 346101565 /nfs/dbraw/zinc/10/15/65/346101565.db2.gz NGLWIYLCXSBQEK-APPZFPTMSA-N 1 0 204.270 -1.204 20 0 BAADRO C[C@H](C(=O)NC[C@@](C)(O)CO)[NH+](C)C ZINC000635883649 346101296 /nfs/dbraw/zinc/10/12/96/346101296.db2.gz NGLWIYLCXSBQEK-VXNVDRBHSA-N 1 0 204.270 -1.204 20 0 BAADRO CC[NH+](CC)CC[C@H](CO)NC(=O)C(N)=O ZINC000635888352 346099296 /nfs/dbraw/zinc/09/92/96/346099296.db2.gz MSJNNELPPDNIKW-MRVPVSSYSA-N 1 0 231.296 -1.319 20 0 BAADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)C(N)=O ZINC000635888365 346099169 /nfs/dbraw/zinc/09/91/69/346099169.db2.gz MSJNNELPPDNIKW-QMMMGPOBSA-N 1 0 231.296 -1.319 20 0 BAADRO C[C@H](C(=O)N1CC(=O)N(C)C(=O)C1)[NH+](C)C ZINC000635901613 346107230 /nfs/dbraw/zinc/10/72/30/346107230.db2.gz DLFYVAIEOPFLKS-SSDOTTSWSA-N 1 0 227.264 -1.236 20 0 BAADRO C[C@H](C(=O)N[C@@H]1CC(=O)N(C)C1=O)[NH+](C)C ZINC000635903433 346109408 /nfs/dbraw/zinc/10/94/08/346109408.db2.gz UCRBUKZUKNJEBU-RNFRBKRXSA-N 1 0 227.264 -1.190 20 0 BAADRO C[C@H](C(=O)N[C@H]1CC(=O)N(C)C1=O)[NH+](C)C ZINC000635903436 346109598 /nfs/dbraw/zinc/10/95/98/346109598.db2.gz UCRBUKZUKNJEBU-RQJHMYQMSA-N 1 0 227.264 -1.190 20 0 BAADRO NC(=O)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000635915707 346108656 /nfs/dbraw/zinc/10/86/56/346108656.db2.gz YVVORWPXOKZJOS-MRVPVSSYSA-N 1 0 229.280 -1.565 20 0 BAADRO NC(=O)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000635915711 346108587 /nfs/dbraw/zinc/10/85/87/346108587.db2.gz YVVORWPXOKZJOS-QMMMGPOBSA-N 1 0 229.280 -1.565 20 0 BAADRO C[N@H+](CC(=O)N[C@@H](CO)C(N)=O)CC(C)(C)C ZINC000635918202 346109730 /nfs/dbraw/zinc/10/97/30/346109730.db2.gz HOCRYCVQEUDELB-QMMMGPOBSA-N 1 0 245.323 -1.073 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@]1(C)CCNC1=O ZINC000635928998 346110910 /nfs/dbraw/zinc/11/09/10/346110910.db2.gz PUJUVYGAWYPLNU-GZMMTYOYSA-N 1 0 243.307 -1.449 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@@]1(C)CCNC1=O ZINC000635928999 346111116 /nfs/dbraw/zinc/11/11/16/346111116.db2.gz PUJUVYGAWYPLNU-KCJUWKMLSA-N 1 0 243.307 -1.449 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@@]1(C)CCNC1=O ZINC000635929000 346110997 /nfs/dbraw/zinc/11/09/97/346110997.db2.gz PUJUVYGAWYPLNU-KWQFWETISA-N 1 0 243.307 -1.449 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@]1(C)CCNC1=O ZINC000635929001 346110966 /nfs/dbraw/zinc/11/09/66/346110966.db2.gz PUJUVYGAWYPLNU-LDYMZIIASA-N 1 0 243.307 -1.449 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@H]1C[C@@H](O)C1 ZINC000635929111 346110931 /nfs/dbraw/zinc/11/09/31/346110931.db2.gz QGAICCRXGGOWSR-HLTSFMKQSA-N 1 0 216.281 -1.204 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1C[C@@H](O)C1 ZINC000635929112 346110876 /nfs/dbraw/zinc/11/08/76/346110876.db2.gz QGAICCRXGGOWSR-XHNCKOQMSA-N 1 0 216.281 -1.204 20 0 BAADRO CN(C)CC[N@H+](C)CCCNC(=O)C(N)=O ZINC000635933169 346113577 /nfs/dbraw/zinc/11/35/77/346113577.db2.gz GGQGRKIUBDZLSD-UHFFFAOYSA-N 1 0 230.312 -1.529 20 0 BAADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)C(N)=O ZINC000635933428 346113229 /nfs/dbraw/zinc/11/32/29/346113229.db2.gz HYFOVMGRQOGTTD-UHFFFAOYSA-N 1 0 244.339 -1.186 20 0 BAADRO C[NH+](C)[C@H]1CN(C(=O)[C@H]2C[C@@H](O)C2)C[C@@H]1O ZINC000635947685 346119916 /nfs/dbraw/zinc/11/99/16/346119916.db2.gz ABONQPHSYQMAPT-JXUBOQSCSA-N 1 0 228.292 -1.109 20 0 BAADRO C[NH+](C)[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC000635949025 346120679 /nfs/dbraw/zinc/12/06/79/346120679.db2.gz YTRNZMFSYXBIET-WDSKDSINSA-N 1 0 201.226 -2.395 20 0 BAADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)C(N)=O ZINC000635960278 346133801 /nfs/dbraw/zinc/13/38/01/346133801.db2.gz PUTXQJHLCNBIKC-BDAKNGLRSA-N 1 0 241.291 -1.207 20 0 BAADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)C(N)=O ZINC000635960279 346133465 /nfs/dbraw/zinc/13/34/65/346133465.db2.gz PUTXQJHLCNBIKC-DTWKUNHWSA-N 1 0 241.291 -1.207 20 0 BAADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)C(N)=O ZINC000635960280 346133654 /nfs/dbraw/zinc/13/36/54/346133654.db2.gz PUTXQJHLCNBIKC-IUCAKERBSA-N 1 0 241.291 -1.207 20 0 BAADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)C(N)=O ZINC000635960281 346133779 /nfs/dbraw/zinc/13/37/79/346133779.db2.gz PUTXQJHLCNBIKC-RKDXNWHRSA-N 1 0 241.291 -1.207 20 0 BAADRO COC[C@@H](C(N)=O)N(C)C(=O)[C@@H](C)[NH+](C)C ZINC000635963090 346134938 /nfs/dbraw/zinc/13/49/38/346134938.db2.gz JXQPCUZYKDOVGZ-SFYZADRCSA-N 1 0 231.296 -1.105 20 0 BAADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)C(N)=O)[C@H]2C1 ZINC000635963169 346135094 /nfs/dbraw/zinc/13/50/94/346135094.db2.gz PSSDIJVGDWIMPF-DTWKUNHWSA-N 1 0 241.291 -1.207 20 0 BAADRO NC(=O)C(=O)N1CCC[C@@H](N2CCOCC2)C1 ZINC000635974961 346130102 /nfs/dbraw/zinc/13/01/02/346130102.db2.gz FTTMGPNOPIPSMR-SECBINFHSA-N 1 0 241.291 -1.205 20 0 BAADRO NC(=O)C(=O)N1CCC[C@H](N2CCOCC2)C1 ZINC000635974962 346130099 /nfs/dbraw/zinc/13/00/99/346130099.db2.gz FTTMGPNOPIPSMR-VIFPVBQESA-N 1 0 241.291 -1.205 20 0 BAADRO C[C@H](C(=O)N1CC(O)(CO)C1)[NH+](C)C ZINC000635990907 346141368 /nfs/dbraw/zinc/14/13/68/346141368.db2.gz PRBMIUQBKHGITJ-SSDOTTSWSA-N 1 0 202.254 -1.498 20 0 BAADRO C[C@@H](C(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)[NH+](C)C ZINC000635991276 346142191 /nfs/dbraw/zinc/14/21/91/346142191.db2.gz HSKGYZXDRPNVBQ-BIIVOSGPSA-N 1 0 239.275 -1.333 20 0 BAADRO C[C@H](C(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)[NH+](C)C ZINC000635991277 346142287 /nfs/dbraw/zinc/14/22/87/346142287.db2.gz HSKGYZXDRPNVBQ-PRJMDXOYSA-N 1 0 239.275 -1.333 20 0 BAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(CO)C2)C1 ZINC000635993223 346143251 /nfs/dbraw/zinc/14/32/51/346143251.db2.gz UMUNXCARSLLZBZ-SECBINFHSA-N 1 0 228.292 -1.106 20 0 BAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(CO)C2)C1 ZINC000635993224 346143783 /nfs/dbraw/zinc/14/37/83/346143783.db2.gz UMUNXCARSLLZBZ-VIFPVBQESA-N 1 0 228.292 -1.106 20 0 BAADRO C[NH+](C)CC1(C(=O)N2CC(O)(CO)C2)CC1 ZINC000635993897 346143945 /nfs/dbraw/zinc/14/39/45/346143945.db2.gz WIYKCLNTRAGTPM-UHFFFAOYSA-N 1 0 228.292 -1.106 20 0 BAADRO C[C@H](C(=O)N[C@@H]1COC[C@H]1O)[NH+](C)C ZINC000635994765 346144812 /nfs/dbraw/zinc/14/48/12/346144812.db2.gz LWQHVPBKTGNXOR-BWZBUEFSSA-N 1 0 202.254 -1.188 20 0 BAADRO C[C@@H](C(=O)N[C@@H]1COC[C@H]1O)[NH+](C)C ZINC000635994767 346144827 /nfs/dbraw/zinc/14/48/27/346144827.db2.gz LWQHVPBKTGNXOR-XLPZGREQSA-N 1 0 202.254 -1.188 20 0 BAADRO O=C(CO)NC[C@H](O)C[NH+]1CCCCC1 ZINC000636050207 346237964 /nfs/dbraw/zinc/23/79/64/346237964.db2.gz NNUMNIPMUQBZFM-VIFPVBQESA-N 1 0 216.281 -1.058 20 0 BAADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(N)=O ZINC000636076292 346313634 /nfs/dbraw/zinc/31/36/34/346313634.db2.gz FWZVILUZFTWIBY-SSDOTTSWSA-N 1 0 242.279 -1.950 20 0 BAADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(N)=O ZINC000636076293 346313310 /nfs/dbraw/zinc/31/33/10/346313310.db2.gz FWZVILUZFTWIBY-ZETCQYMHSA-N 1 0 242.279 -1.950 20 0 BAADRO C[NH+](C)CCN1CCN(C(=O)C(N)=O)CC1=O ZINC000636120157 346324990 /nfs/dbraw/zinc/32/49/90/346324990.db2.gz NFTLHFBUJQIKPQ-UHFFFAOYSA-N 1 0 242.279 -2.296 20 0 BAADRO CN(CCC[NH+](C)C)CCNC(=O)C(N)=O ZINC000636172188 346344806 /nfs/dbraw/zinc/34/48/06/346344806.db2.gz VOTJKIWOKMAEEU-UHFFFAOYSA-N 1 0 230.312 -1.529 20 0 BAADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C(N)=O ZINC000636183282 346348162 /nfs/dbraw/zinc/34/81/62/346348162.db2.gz UJSQIDYRVLHAOL-UHFFFAOYSA-N 1 0 244.295 -2.050 20 0 BAADRO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H](O)[C@@H](O)C2)C1 ZINC000636251394 346368804 /nfs/dbraw/zinc/36/88/04/346368804.db2.gz GNGPCJXRLZLIIX-GUBZILKMSA-N 1 0 228.292 -1.108 20 0 BAADRO C[N@@H+]1CC[C@H](CC(=O)N2C[C@H](O)[C@@H](O)C2)C1 ZINC000636251395 346368753 /nfs/dbraw/zinc/36/87/53/346368753.db2.gz GNGPCJXRLZLIIX-UTLUCORTSA-N 1 0 228.292 -1.108 20 0 BAADRO C[NH+](C)CC1(C(=O)N2C[C@H](O)[C@@H](O)C2)CC1 ZINC000636251556 346368741 /nfs/dbraw/zinc/36/87/41/346368741.db2.gz IHXNWVZMRYIUNW-IUCAKERBSA-N 1 0 228.292 -1.108 20 0 BAADRO C[C@H](C(=O)N1C[C@H](O)[C@@H](O)C1)[NH+](C)C ZINC000636252133 346369395 /nfs/dbraw/zinc/36/93/95/346369395.db2.gz RMKWKNUOVJKCDJ-CSMHCCOUSA-N 1 0 202.254 -1.500 20 0 BAADRO C[C@H](C(=O)N1CC(NS(C)(=O)=O)C1)[NH+](C)C ZINC000636258046 385457167 /nfs/dbraw/zinc/45/71/67/385457167.db2.gz GHNOMCDJWFWKGF-SSDOTTSWSA-N 1 0 249.336 -1.304 20 0 BAADRO O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@H]1C[C@@H](O)C1 ZINC000636287825 346378101 /nfs/dbraw/zinc/37/81/01/346378101.db2.gz MQCCZDDCOVCSKE-BBBLOLIVSA-N 1 0 228.292 -1.060 20 0 BAADRO O=C(NCC[N@@H+]1CC[C@H](O)C1)[C@H]1C[C@@H](O)C1 ZINC000636291787 346381133 /nfs/dbraw/zinc/38/11/33/346381133.db2.gz MQCCZDDCOVCSKE-LPEHRKFASA-N 1 0 228.292 -1.060 20 0 BAADRO C[C@H](C(=O)N[C@@H]1COC[C@@H]1O)[NH+](C)C ZINC000636303182 346384157 /nfs/dbraw/zinc/38/41/57/346384157.db2.gz LWQHVPBKTGNXOR-PRJMDXOYSA-N 1 0 202.254 -1.188 20 0 BAADRO C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1COC[C@@H]1O ZINC000637147287 350219938 /nfs/dbraw/zinc/21/99/38/350219938.db2.gz ISWOVXGFPRJXKN-YIZRAAEISA-N 1 0 231.296 -1.005 20 0 BAADRO C[C@@H](CNC(=O)N[C@@H]1COC[C@@H]1O)[NH+](C)C ZINC000637196077 350254704 /nfs/dbraw/zinc/25/47/04/350254704.db2.gz MLHUZZDVDZMIEK-YIZRAAEISA-N 1 0 231.296 -1.005 20 0 BAADRO [NH3+][C@@H]1CCCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC000637796970 351623808 /nfs/dbraw/zinc/62/38/08/351623808.db2.gz FFGXLFLNXJFTIJ-MRVPVSSYSA-N 1 0 232.305 -1.019 20 0 BAADRO C[C@H](C(=O)NCC[NH3+])N1CCNCC1=O ZINC000637797686 351629574 /nfs/dbraw/zinc/62/95/74/351629574.db2.gz RBJSTUYOAHANEN-SSDOTTSWSA-N 1 0 214.269 -2.118 20 0 BAADRO C[C@@H](C(=O)NCC[NH3+])N1CCNCC1=O ZINC000637797702 351630089 /nfs/dbraw/zinc/63/00/89/351630089.db2.gz RBJSTUYOAHANEN-ZETCQYMHSA-N 1 0 214.269 -2.118 20 0 BAADRO C[C@H](C(=O)N1CC[NH2+]CC1)N1CCNCC1=O ZINC000637800314 351635775 /nfs/dbraw/zinc/63/57/75/351635775.db2.gz DFCKTFIINWUHOU-SECBINFHSA-N 1 0 240.307 -1.762 20 0 BAADRO C[C@@H](C(=O)N1CC[NH2+]CC1)N1CCNCC1=O ZINC000637800318 351635236 /nfs/dbraw/zinc/63/52/36/351635236.db2.gz DFCKTFIINWUHOU-VIFPVBQESA-N 1 0 240.307 -1.762 20 0 BAADRO C[C@H](C(=O)NCCC[NH3+])N1CCNCC1=O ZINC000637800358 351635532 /nfs/dbraw/zinc/63/55/32/351635532.db2.gz BXRXXKJEEFGIEN-MRVPVSSYSA-N 1 0 228.296 -1.728 20 0 BAADRO C[C@@H](C(=O)NCCC[NH3+])N1CCNCC1=O ZINC000637800359 351635398 /nfs/dbraw/zinc/63/53/98/351635398.db2.gz BXRXXKJEEFGIEN-QMMMGPOBSA-N 1 0 228.296 -1.728 20 0 BAADRO CN1C(=O)CN(CC(=O)N2CC[NH2+]CC2)C1=O ZINC000637800937 351637164 /nfs/dbraw/zinc/63/71/64/351637164.db2.gz IXSFQNJMKOFECT-UHFFFAOYSA-N 1 0 240.263 -1.688 20 0 BAADRO C[C@]1(C(=O)N2CC[NH2+]CC2)CCNC1=O ZINC000637802306 351634264 /nfs/dbraw/zinc/63/42/64/351634264.db2.gz YZVJHAUJZRDGPP-JTQLQIEISA-N 1 0 211.265 -1.056 20 0 BAADRO C[C@@]1(C(=O)N2CC[NH2+]CC2)CCNC1=O ZINC000637802307 351634853 /nfs/dbraw/zinc/63/48/53/351634853.db2.gz YZVJHAUJZRDGPP-SNVBAGLBSA-N 1 0 211.265 -1.056 20 0 BAADRO C[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)N1CCNCC1=O ZINC000637802459 351635641 /nfs/dbraw/zinc/63/56/41/351635641.db2.gz QEMLJKPTDVVELG-DTWKUNHWSA-N 1 0 240.307 -1.634 20 0 BAADRO C[C@H](C(=O)N1CC[C@@H]([NH3+])C1)N1CCNCC1=O ZINC000637802462 351635151 /nfs/dbraw/zinc/63/51/51/351635151.db2.gz QEMLJKPTDVVELG-RKDXNWHRSA-N 1 0 240.307 -1.634 20 0 BAADRO C[NH2+][C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC000637803086 351639009 /nfs/dbraw/zinc/63/90/09/351639009.db2.gz XRRQKKCPPNYNDL-MRVPVSSYSA-N 1 0 232.305 -1.149 20 0 BAADRO C[NH2+][C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC000637803087 351638677 /nfs/dbraw/zinc/63/86/77/351638677.db2.gz XRRQKKCPPNYNDL-QMMMGPOBSA-N 1 0 232.305 -1.149 20 0 BAADRO O=C(C1CS(=O)(=O)C1)N1CCC[NH2+]CC1 ZINC000637804198 351641287 /nfs/dbraw/zinc/64/12/87/351641287.db2.gz VSYNDHVQWRCTTI-UHFFFAOYSA-N 1 0 232.305 -1.147 20 0 BAADRO C[NH2+]CCCNC(=O)C1CS(=O)(=O)C1 ZINC000637804735 351637345 /nfs/dbraw/zinc/63/73/45/351637345.db2.gz APNYSESCEAKKFO-UHFFFAOYSA-N 1 0 220.294 -1.243 20 0 BAADRO O=C(N[C@@H]1CCC[NH2+]C1)C1CS(=O)(=O)C1 ZINC000637805155 351644823 /nfs/dbraw/zinc/64/48/23/351644823.db2.gz JWVPXQPAPDJCQT-MRVPVSSYSA-N 1 0 232.305 -1.101 20 0 BAADRO O=C(N[C@H]1CCC[NH2+]C1)C1CS(=O)(=O)C1 ZINC000637805157 351644464 /nfs/dbraw/zinc/64/44/64/351644464.db2.gz JWVPXQPAPDJCQT-QMMMGPOBSA-N 1 0 232.305 -1.101 20 0 BAADRO C[NH2+]CCCNC(=O)[C@@H](C)N1CCNCC1=O ZINC000637806881 351644009 /nfs/dbraw/zinc/64/40/09/351644009.db2.gz XESRCZFSCYWYJB-SECBINFHSA-N 1 0 242.323 -1.468 20 0 BAADRO C[NH2+]CCCNC(=O)[C@H](C)N1CCNCC1=O ZINC000637806882 351643752 /nfs/dbraw/zinc/64/37/52/351643752.db2.gz XESRCZFSCYWYJB-VIFPVBQESA-N 1 0 242.323 -1.468 20 0 BAADRO C[C@H](C(=O)N[C@H]1CC[NH2+]C1)N1CCNCC1=O ZINC000637810380 351650505 /nfs/dbraw/zinc/65/05/05/351650505.db2.gz HIOSVCWBNZBSKN-BDAKNGLRSA-N 1 0 240.307 -1.715 20 0 BAADRO C[C@@H](C(=O)N[C@@H]1CC[NH2+]C1)N1CCNCC1=O ZINC000637810384 351650420 /nfs/dbraw/zinc/65/04/20/351650420.db2.gz HIOSVCWBNZBSKN-DTWKUNHWSA-N 1 0 240.307 -1.715 20 0 BAADRO C[C@@H](C(=O)N[C@H]1CC[NH2+]C1)N1CCNCC1=O ZINC000637810385 351650563 /nfs/dbraw/zinc/65/05/63/351650563.db2.gz HIOSVCWBNZBSKN-IUCAKERBSA-N 1 0 240.307 -1.715 20 0 BAADRO C[C@H](C(=O)N[C@@H]1CC[NH2+]C1)N1CCNCC1=O ZINC000637810386 351650297 /nfs/dbraw/zinc/65/02/97/351650297.db2.gz HIOSVCWBNZBSKN-RKDXNWHRSA-N 1 0 240.307 -1.715 20 0 BAADRO O=C(NCCN1CC[NH2+]CC1)[C@H]1C[C@@H](O)C1 ZINC000637811228 351652186 /nfs/dbraw/zinc/65/21/86/351652186.db2.gz MXCGPVIPOLNHHD-AOOOYVTPSA-N 1 0 227.308 -1.221 20 0 BAADRO C[C@@H]1C[NH2+]CCN1C(=O)C1CS(=O)(=O)C1 ZINC000637816601 351656968 /nfs/dbraw/zinc/65/69/68/351656968.db2.gz JRNDMZCGFNESIU-SSDOTTSWSA-N 1 0 232.305 -1.149 20 0 BAADRO C[C@H]1C[NH2+]CCN1C(=O)C1CS(=O)(=O)C1 ZINC000637816602 351656686 /nfs/dbraw/zinc/65/66/86/351656686.db2.gz JRNDMZCGFNESIU-ZETCQYMHSA-N 1 0 232.305 -1.149 20 0 BAADRO C[C@@H]1C[NH2+]CCN1C(=O)Cn1cnc(N)n1 ZINC000637816817 411910075 /nfs/dbraw/zinc/91/00/75/411910075.db2.gz LCZXXYKFTYXTGG-SSDOTTSWSA-N 1 0 224.268 -1.319 20 0 BAADRO C[C@H]1C[NH2+]CCN1C(=O)Cn1cnc(N)n1 ZINC000637816818 411929549 /nfs/dbraw/zinc/92/95/49/411929549.db2.gz LCZXXYKFTYXTGG-ZETCQYMHSA-N 1 0 224.268 -1.319 20 0 BAADRO C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000637817093 351659273 /nfs/dbraw/zinc/65/92/73/351659273.db2.gz PNCXQZGIDYWHOH-HLTSFMKQSA-N 1 0 241.291 -1.160 20 0 BAADRO Nc1ncn(CC(=O)NC[C@H]2CCCC[NH2+]2)n1 ZINC000637817162 411947877 /nfs/dbraw/zinc/94/78/77/411947877.db2.gz RMLUIDUZQSUJQN-MRVPVSSYSA-N 1 0 238.295 -0.881 20 0 BAADRO Nc1ncn(CC(=O)NC[C@@H]2CCCC[NH2+]2)n1 ZINC000637817163 411946882 /nfs/dbraw/zinc/94/68/82/411946882.db2.gz RMLUIDUZQSUJQN-QMMMGPOBSA-N 1 0 238.295 -0.881 20 0 BAADRO C[C@H](C(=O)N1CC[C@H]([NH3+])C1)N1CCNCC1=O ZINC000637821237 351660150 /nfs/dbraw/zinc/66/01/50/351660150.db2.gz QEMLJKPTDVVELG-BDAKNGLRSA-N 1 0 240.307 -1.634 20 0 BAADRO C[C@@H](C(=O)N1CC[C@H]([NH3+])C1)N1CCNCC1=O ZINC000637821238 351659471 /nfs/dbraw/zinc/65/94/71/351659471.db2.gz QEMLJKPTDVVELG-IUCAKERBSA-N 1 0 240.307 -1.634 20 0 BAADRO C[C@H](C(=O)NCC[C@H](C)[NH3+])N1CCNCC1=O ZINC000637823837 351669175 /nfs/dbraw/zinc/66/91/75/351669175.db2.gz JYHIBYFJDWEBDJ-DTWKUNHWSA-N 1 0 242.323 -1.340 20 0 BAADRO C[C@H]([NH3+])CCNC(=O)[C@H](C)N1CCNCC1=O ZINC000637823839 351669235 /nfs/dbraw/zinc/66/92/35/351669235.db2.gz JYHIBYFJDWEBDJ-IUCAKERBSA-N 1 0 242.323 -1.340 20 0 BAADRO C[NH2+]CCNC(=O)[C@@H](C)N1CCNCC1=O ZINC000637825364 351665771 /nfs/dbraw/zinc/66/57/71/351665771.db2.gz ZNUSQPRPPRAOKL-MRVPVSSYSA-N 1 0 228.296 -1.858 20 0 BAADRO C[NH2+]CCNC(=O)[C@H](C)N1CCNCC1=O ZINC000637825365 351665827 /nfs/dbraw/zinc/66/58/27/351665827.db2.gz ZNUSQPRPPRAOKL-QMMMGPOBSA-N 1 0 228.296 -1.858 20 0 BAADRO C[C@H]([NH3+])CCNC(=O)C1CS(=O)(=O)C1 ZINC000637825409 351667081 /nfs/dbraw/zinc/66/70/81/351667081.db2.gz VJEITLUMJYDSKW-LURJTMIESA-N 1 0 220.294 -1.116 20 0 BAADRO CC[NH2+]CCNC(=O)CN1CC(=O)N(C)C1=O ZINC000637826037 351671649 /nfs/dbraw/zinc/67/16/49/351671649.db2.gz FITOCGYPSGDQNC-UHFFFAOYSA-N 1 0 242.279 -1.394 20 0 BAADRO CC[NH2+]CCNC(=O)[C@@H](C)N1CCNCC1=O ZINC000637826071 351672297 /nfs/dbraw/zinc/67/22/97/351672297.db2.gz GMGPRQULYHOWIV-SECBINFHSA-N 1 0 242.323 -1.468 20 0 BAADRO CC[NH2+]CCNC(=O)[C@H](C)N1CCNCC1=O ZINC000637826072 351672482 /nfs/dbraw/zinc/67/24/82/351672482.db2.gz GMGPRQULYHOWIV-VIFPVBQESA-N 1 0 242.323 -1.468 20 0 BAADRO CC[NH2+]CCNC(=O)C1CS(=O)(=O)C1 ZINC000637826183 351672374 /nfs/dbraw/zinc/67/23/74/351672374.db2.gz KVYYXWMXUCADBD-UHFFFAOYSA-N 1 0 220.294 -1.243 20 0 BAADRO O=C(NC[C@H]1CCC[NH2+]1)C1CS(=O)(=O)C1 ZINC000637826372 351673456 /nfs/dbraw/zinc/67/34/56/351673456.db2.gz BRDVNIRZMTWDLK-MRVPVSSYSA-N 1 0 232.305 -1.101 20 0 BAADRO O=C(NC[C@@H]1CCC[NH2+]1)C1CS(=O)(=O)C1 ZINC000637826373 351673221 /nfs/dbraw/zinc/67/32/21/351673221.db2.gz BRDVNIRZMTWDLK-QMMMGPOBSA-N 1 0 232.305 -1.101 20 0 BAADRO O=C(NCC[NH2+]C1CC1)C1CS(=O)(=O)C1 ZINC000637827666 351670372 /nfs/dbraw/zinc/67/03/72/351670372.db2.gz LMTYCSKURASHCS-UHFFFAOYSA-N 1 0 232.305 -1.101 20 0 BAADRO C[C@H](C(=O)NC(C)(C)C[NH3+])N1CCNCC1=O ZINC000637829590 351677815 /nfs/dbraw/zinc/67/78/15/351677815.db2.gz RSFJKTHBUUZPFG-MRVPVSSYSA-N 1 0 242.323 -1.340 20 0 BAADRO C[C@@H](C(=O)NC(C)(C)C[NH3+])N1CCNCC1=O ZINC000637829591 351678018 /nfs/dbraw/zinc/67/80/18/351678018.db2.gz RSFJKTHBUUZPFG-QMMMGPOBSA-N 1 0 242.323 -1.340 20 0 BAADRO CN1C(=O)CN(CC(=O)NC(C)(C)C[NH3+])C1=O ZINC000637829942 351679214 /nfs/dbraw/zinc/67/92/14/351679214.db2.gz YBPJMSIVCXSLID-UHFFFAOYSA-N 1 0 242.279 -1.266 20 0 BAADRO CC(C)(C[NH3+])NC(=O)C1CS(=O)(=O)C1 ZINC000637831439 386414733 /nfs/dbraw/zinc/41/47/33/386414733.db2.gz YOPOGRHJOLWQQL-UHFFFAOYSA-N 1 0 220.294 -1.116 20 0 BAADRO CN(C(=O)C1CS(=O)(=O)C1)[C@@H]1CC[NH2+]C1 ZINC000637837507 351691268 /nfs/dbraw/zinc/69/12/68/351691268.db2.gz HQESBHWCSJMEEB-MRVPVSSYSA-N 1 0 232.305 -1.149 20 0 BAADRO CN(C(=O)C1CS(=O)(=O)C1)[C@H]1CC[NH2+]C1 ZINC000637837509 351691520 /nfs/dbraw/zinc/69/15/20/351691520.db2.gz HQESBHWCSJMEEB-QMMMGPOBSA-N 1 0 232.305 -1.149 20 0 BAADRO C[C@@H]1CN(C(=O)Cn2cnc(N)n2)CC[NH2+]1 ZINC000637839991 411907328 /nfs/dbraw/zinc/90/73/28/411907328.db2.gz GXKWBTRPGZHUIX-SSDOTTSWSA-N 1 0 224.268 -1.319 20 0 BAADRO C[C@H]1CN(C(=O)Cn2cnc(N)n2)CC[NH2+]1 ZINC000637839992 411930153 /nfs/dbraw/zinc/93/01/53/411930153.db2.gz GXKWBTRPGZHUIX-ZETCQYMHSA-N 1 0 224.268 -1.319 20 0 BAADRO C[C@@H]1CN(C(=O)Cn2cnc(N)n2)C[C@@H](C)[NH2+]1 ZINC000637840008 411906081 /nfs/dbraw/zinc/90/60/81/411906081.db2.gz LRPMFZVCRCPFND-HTQZYQBOSA-N 1 0 238.295 -0.931 20 0 BAADRO C[C@@H]1CN(C(=O)Cn2cnc(N)n2)C[C@H](C)[NH2+]1 ZINC000637840010 411906013 /nfs/dbraw/zinc/90/60/13/411906013.db2.gz LRPMFZVCRCPFND-OCAPTIKFSA-N 1 0 238.295 -0.931 20 0 BAADRO C[C@H]1CN(C(=O)Cn2cnc(N)n2)C[C@H](C)[NH2+]1 ZINC000637840011 411930259 /nfs/dbraw/zinc/93/02/59/411930259.db2.gz LRPMFZVCRCPFND-YUMQZZPRSA-N 1 0 238.295 -0.931 20 0 BAADRO C[C@H](C[NH3+])N(C)C(=O)[C@H](C)N1CCNCC1=O ZINC000637840140 351694917 /nfs/dbraw/zinc/69/49/17/351694917.db2.gz CLWKUXXTCMSRDM-BDAKNGLRSA-N 1 0 242.323 -1.388 20 0 BAADRO C[C@H](C(=O)N(C)[C@@H](C)C[NH3+])N1CCNCC1=O ZINC000637840141 351694609 /nfs/dbraw/zinc/69/46/09/351694609.db2.gz CLWKUXXTCMSRDM-DTWKUNHWSA-N 1 0 242.323 -1.388 20 0 BAADRO C[C@@H](C[NH3+])N(C)C(=O)[C@H](C)N1CCNCC1=O ZINC000637840142 351694891 /nfs/dbraw/zinc/69/48/91/351694891.db2.gz CLWKUXXTCMSRDM-IUCAKERBSA-N 1 0 242.323 -1.388 20 0 BAADRO C[C@H](C[NH3+])N(C)C(=O)[C@@H](C)N1CCNCC1=O ZINC000637840143 351694457 /nfs/dbraw/zinc/69/44/57/351694457.db2.gz CLWKUXXTCMSRDM-RKDXNWHRSA-N 1 0 242.323 -1.388 20 0 BAADRO C[C@@H](C[NH3+])N(C)C(=O)C1CS(=O)(=O)C1 ZINC000637840211 351695587 /nfs/dbraw/zinc/69/55/87/351695587.db2.gz DUSONUIHJAJVSS-LURJTMIESA-N 1 0 220.294 -1.163 20 0 BAADRO C[C@H](C[NH3+])N(C)C(=O)C1CS(=O)(=O)C1 ZINC000637840212 351695460 /nfs/dbraw/zinc/69/54/60/351695460.db2.gz DUSONUIHJAJVSS-ZCFIWIBFSA-N 1 0 220.294 -1.163 20 0 BAADRO C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[NH2+]1 ZINC000637841851 351698044 /nfs/dbraw/zinc/69/80/44/351698044.db2.gz RBFMWDXTLKHDAP-SSDOTTSWSA-N 1 0 232.305 -1.149 20 0 BAADRO C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[NH2+]1 ZINC000637841852 351698424 /nfs/dbraw/zinc/69/84/24/351698424.db2.gz RBFMWDXTLKHDAP-ZETCQYMHSA-N 1 0 232.305 -1.149 20 0 BAADRO C[C@H](C[NH3+])N(C)C(=O)CN1CC(=O)N(C)C1=O ZINC000637843394 351702310 /nfs/dbraw/zinc/70/23/10/351702310.db2.gz XFCAQSQWZABTEX-SSDOTTSWSA-N 1 0 242.279 -1.314 20 0 BAADRO C[C@@H](C[NH3+])N(C)C(=O)CN1CC(=O)N(C)C1=O ZINC000637843395 351702202 /nfs/dbraw/zinc/70/22/02/351702202.db2.gz XFCAQSQWZABTEX-ZETCQYMHSA-N 1 0 242.279 -1.314 20 0 BAADRO C[C@H](C(=O)N(C)CCC[NH3+])N1CCNCC1=O ZINC000637852117 351710991 /nfs/dbraw/zinc/71/09/91/351710991.db2.gz CICXIEHFPMTGCE-SECBINFHSA-N 1 0 242.323 -1.386 20 0 BAADRO C[C@@H](C(=O)N(C)CCC[NH3+])N1CCNCC1=O ZINC000637852118 351711387 /nfs/dbraw/zinc/71/13/87/351711387.db2.gz CICXIEHFPMTGCE-VIFPVBQESA-N 1 0 242.323 -1.386 20 0 BAADRO CN(CCC[NH3+])C(=O)CN1CC(=O)N(C)C1=O ZINC000637852386 351711474 /nfs/dbraw/zinc/71/14/74/351711474.db2.gz DVPHLNGOWSVCCU-UHFFFAOYSA-N 1 0 242.279 -1.312 20 0 BAADRO [NH3+]C[C@@H](NC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC000637853819 351715981 /nfs/dbraw/zinc/71/59/81/351715981.db2.gz AMERSMPZBZYECG-MRVPVSSYSA-N 1 0 232.305 -1.116 20 0 BAADRO [NH3+]C[C@H](NC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC000637853820 351716111 /nfs/dbraw/zinc/71/61/11/351716111.db2.gz AMERSMPZBZYECG-QMMMGPOBSA-N 1 0 232.305 -1.116 20 0 BAADRO CC1(C)C[NH2+]CCN1C(=O)Cn1cnc(N)n1 ZINC000637856433 411889036 /nfs/dbraw/zinc/88/90/36/411889036.db2.gz BKNDXZJIYNBPII-UHFFFAOYSA-N 1 0 238.295 -0.929 20 0 BAADRO C[C@H](C(=O)NCC(C)(C)[NH3+])N1CCNCC1=O ZINC000637857630 351717731 /nfs/dbraw/zinc/71/77/31/351717731.db2.gz SAUNXHCJCNQRIW-MRVPVSSYSA-N 1 0 242.323 -1.340 20 0 BAADRO C[C@@H](C(=O)NCC(C)(C)[NH3+])N1CCNCC1=O ZINC000637857632 351717900 /nfs/dbraw/zinc/71/79/00/351717900.db2.gz SAUNXHCJCNQRIW-QMMMGPOBSA-N 1 0 242.323 -1.340 20 0 BAADRO CC(C)([NH3+])CNC(=O)C1CS(=O)(=O)C1 ZINC000637858044 351718981 /nfs/dbraw/zinc/71/89/81/351718981.db2.gz UAYDFGZZMKFCSQ-UHFFFAOYSA-N 1 0 220.294 -1.116 20 0 BAADRO CN1C(=O)CN(CC(=O)NCC(C)(C)[NH3+])C1=O ZINC000637858092 351719606 /nfs/dbraw/zinc/71/96/06/351719606.db2.gz VATMDQXLZIRXFH-UHFFFAOYSA-N 1 0 242.279 -1.266 20 0 BAADRO CN1CCN(C(=O)Cc2nnc[nH]2)[C@H](C[NH3+])C1 ZINC000637865705 351725857 /nfs/dbraw/zinc/72/58/57/351725857.db2.gz DGKNLXFTZINTRD-MRVPVSSYSA-N 1 0 238.295 -1.552 20 0 BAADRO CN1CCN(C(=O)Cc2nnc[nH]2)[C@@H](C[NH3+])C1 ZINC000637865706 351725607 /nfs/dbraw/zinc/72/56/07/351725607.db2.gz DGKNLXFTZINTRD-QMMMGPOBSA-N 1 0 238.295 -1.552 20 0 BAADRO CN1CCN(C(=O)[C@H]2C[C@@H](O)C2)[C@H](C[NH3+])C1 ZINC000637867750 351731118 /nfs/dbraw/zinc/73/11/18/351731118.db2.gz XHXJRZQJJLDKJI-BBBLOLIVSA-N 1 0 227.308 -1.141 20 0 BAADRO CN1CCN(C(=O)[C@H]2C[C@@H](O)C2)[C@@H](C[NH3+])C1 ZINC000637867755 351731083 /nfs/dbraw/zinc/73/10/83/351731083.db2.gz XHXJRZQJJLDKJI-LPEHRKFASA-N 1 0 227.308 -1.141 20 0 BAADRO [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCOCC1 ZINC000637870896 351737512 /nfs/dbraw/zinc/73/75/12/351737512.db2.gz KBGOWWSXDTWDOD-SFYZADRCSA-N 1 0 200.238 -1.039 20 0 BAADRO [NH3+][C@@H]1CC=C(C(=O)N2CCNC(=O)C2)C1 ZINC000637880142 351746205 /nfs/dbraw/zinc/74/62/05/351746205.db2.gz CASFOAKPHLEBNW-MRVPVSSYSA-N 1 0 209.249 -1.008 20 0 BAADRO [NH3+][C@H]1CC=C(C(=O)N2CCNC(=O)C2)C1 ZINC000637880143 351745950 /nfs/dbraw/zinc/74/59/50/351745950.db2.gz CASFOAKPHLEBNW-QMMMGPOBSA-N 1 0 209.249 -1.008 20 0 BAADRO C[C@@]1(C(=O)N2CCNC(=O)C2)C[NH2+]CCO1 ZINC000637880296 351746435 /nfs/dbraw/zinc/74/64/35/351746435.db2.gz IFAJOUOKJQSMPD-JTQLQIEISA-N 1 0 227.264 -1.677 20 0 BAADRO C[C@]1(C(=O)N2CCNC(=O)C2)C[NH2+]CCO1 ZINC000637880297 351746445 /nfs/dbraw/zinc/74/64/45/351746445.db2.gz IFAJOUOKJQSMPD-SNVBAGLBSA-N 1 0 227.264 -1.677 20 0 BAADRO [NH3+]C[C@]1(C(=O)N2CCNC(=O)C2)CCCOC1 ZINC000637880683 351746181 /nfs/dbraw/zinc/74/61/81/351746181.db2.gz VAFIBENRLILKGE-LLVKDONJSA-N 1 0 241.291 -1.300 20 0 BAADRO [NH3+]C[C@@]1(C(=O)N2CCNC(=O)C2)CCCOC1 ZINC000637880684 351746480 /nfs/dbraw/zinc/74/64/80/351746480.db2.gz VAFIBENRLILKGE-NSHDSACASA-N 1 0 241.291 -1.300 20 0 BAADRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCNC(=O)C2)C1 ZINC000637880686 351745970 /nfs/dbraw/zinc/74/59/70/351745970.db2.gz VDDUSQPJCADAOP-GZMMTYOYSA-N 1 0 241.291 -1.288 20 0 BAADRO CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCNC(=O)C2)C1 ZINC000637880687 351746302 /nfs/dbraw/zinc/74/63/02/351746302.db2.gz VDDUSQPJCADAOP-KCJUWKMLSA-N 1 0 241.291 -1.288 20 0 BAADRO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCNC(=O)C2)C1 ZINC000637880688 351746464 /nfs/dbraw/zinc/74/64/64/351746464.db2.gz VDDUSQPJCADAOP-KWQFWETISA-N 1 0 241.291 -1.288 20 0 BAADRO CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCNC(=O)C2)C1 ZINC000637880689 351746499 /nfs/dbraw/zinc/74/64/99/351746499.db2.gz VDDUSQPJCADAOP-LDYMZIIASA-N 1 0 241.291 -1.288 20 0 BAADRO CC(=O)NCCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000637886214 487682528 /nfs/dbraw/zinc/68/25/28/487682528.db2.gz ZHAZHQUYCUJZPZ-JTQLQIEISA-N 1 0 229.280 -1.383 20 0 BAADRO CC(=O)NCCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000637886218 487682469 /nfs/dbraw/zinc/68/24/69/487682469.db2.gz ZHAZHQUYCUJZPZ-SNVBAGLBSA-N 1 0 229.280 -1.383 20 0 BAADRO CN(C)C(=O)CN(C)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000637886294 487682408 /nfs/dbraw/zinc/68/24/08/487682408.db2.gz QBLGLDFPOABPBL-LLVKDONJSA-N 1 0 243.307 -1.089 20 0 BAADRO CN(C)C(=O)CN(C)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000637886494 487682697 /nfs/dbraw/zinc/68/26/97/487682697.db2.gz QBLGLDFPOABPBL-NSHDSACASA-N 1 0 243.307 -1.089 20 0 BAADRO CN(C)C(=O)CN(C)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000637886800 351756601 /nfs/dbraw/zinc/75/66/01/351756601.db2.gz SSNGDPMJHBIYJB-IONNQARKSA-N 1 0 229.280 -1.351 20 0 BAADRO CNC(=O)CNC(=O)[C@@H](C)N1CCNCC1=O ZINC000637887983 351755539 /nfs/dbraw/zinc/75/55/39/351755539.db2.gz AXSXAOMILSEDOM-SSDOTTSWSA-N 1 0 242.279 -2.331 20 0 BAADRO CNC(=O)CNC(=O)[C@H](C)N1CCNCC1=O ZINC000637887986 351755772 /nfs/dbraw/zinc/75/57/72/351755772.db2.gz AXSXAOMILSEDOM-ZETCQYMHSA-N 1 0 242.279 -2.331 20 0 BAADRO CN(C)C(=O)CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000637888025 351756074 /nfs/dbraw/zinc/75/60/74/351756074.db2.gz CWAVRCHVVPNLSS-LLVKDONJSA-N 1 0 243.307 -1.054 20 0 BAADRO CN(C)C(=O)CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000637888029 351756179 /nfs/dbraw/zinc/75/61/79/351756179.db2.gz CWAVRCHVVPNLSS-NSHDSACASA-N 1 0 243.307 -1.054 20 0 BAADRO CCNC(=O)CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000637888429 351759996 /nfs/dbraw/zinc/75/99/96/351759996.db2.gz GXWPFFSZXBJSHK-JTQLQIEISA-N 1 0 229.280 -1.383 20 0 BAADRO CCNC(=O)CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000637888430 351759879 /nfs/dbraw/zinc/75/98/79/351759879.db2.gz GXWPFFSZXBJSHK-SNVBAGLBSA-N 1 0 229.280 -1.383 20 0 BAADRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC(=O)N(C)C)C1 ZINC000637888521 351759801 /nfs/dbraw/zinc/75/98/01/351759801.db2.gz HJWWLHZPXPVTDJ-GZMMTYOYSA-N 1 0 243.307 -1.042 20 0 BAADRO CO[C@H]1C[NH2+][C@](C)(C(=O)NCC(=O)N(C)C)C1 ZINC000637888522 351759728 /nfs/dbraw/zinc/75/97/28/351759728.db2.gz HJWWLHZPXPVTDJ-KCJUWKMLSA-N 1 0 243.307 -1.042 20 0 BAADRO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC(=O)N(C)C)C1 ZINC000637888523 351760567 /nfs/dbraw/zinc/76/05/67/351760567.db2.gz HJWWLHZPXPVTDJ-KWQFWETISA-N 1 0 243.307 -1.042 20 0 BAADRO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC(=O)N(C)C)C1 ZINC000637888524 351761117 /nfs/dbraw/zinc/76/11/17/351761117.db2.gz HJWWLHZPXPVTDJ-LDYMZIIASA-N 1 0 243.307 -1.042 20 0 BAADRO CCNC(=O)CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000637889656 351758786 /nfs/dbraw/zinc/75/87/86/351758786.db2.gz QKSKKHNTRZNRPA-LLVKDONJSA-N 1 0 243.307 -1.006 20 0 BAADRO CCNC(=O)CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000637889657 351758562 /nfs/dbraw/zinc/75/85/62/351758562.db2.gz QKSKKHNTRZNRPA-NSHDSACASA-N 1 0 243.307 -1.006 20 0 BAADRO CN(C)C(=O)CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000637890929 351762915 /nfs/dbraw/zinc/76/29/15/351762915.db2.gz ZSCSVHKXWMLREJ-JTQLQIEISA-N 1 0 229.280 -1.431 20 0 BAADRO CN(C)C(=O)CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000637890930 351763120 /nfs/dbraw/zinc/76/31/20/351763120.db2.gz ZSCSVHKXWMLREJ-SNVBAGLBSA-N 1 0 229.280 -1.431 20 0 BAADRO C[C@]1(C(=O)NCC(=O)NC2CC2)C[NH2+]CCO1 ZINC000637892529 386519795 /nfs/dbraw/zinc/51/97/95/386519795.db2.gz CAPLSSCQPPMHMX-LLVKDONJSA-N 1 0 241.291 -1.240 20 0 BAADRO C[C@@]1(C(=O)NCC(=O)NC2CC2)C[NH2+]CCO1 ZINC000637892530 386521170 /nfs/dbraw/zinc/52/11/70/386521170.db2.gz CAPLSSCQPPMHMX-NSHDSACASA-N 1 0 241.291 -1.240 20 0 BAADRO CN(CC(=O)NC1CC1)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000637893940 351765159 /nfs/dbraw/zinc/76/51/59/351765159.db2.gz YIAMMHBYTRGIQX-WCBMZHEXSA-N 1 0 241.291 -1.160 20 0 BAADRO CC[NH2+][C@H](C)C(=O)NCC(=O)NCCOC ZINC000637895982 351764430 /nfs/dbraw/zinc/76/44/30/351764430.db2.gz KCOQTGNGRURTPJ-MRVPVSSYSA-N 1 0 231.296 -1.137 20 0 BAADRO CC[NH2+][C@@H](C)C(=O)NCC(=O)NCCOC ZINC000637895983 351764565 /nfs/dbraw/zinc/76/45/65/351764565.db2.gz KCOQTGNGRURTPJ-QMMMGPOBSA-N 1 0 231.296 -1.137 20 0 BAADRO CC[NH2+][C@H](C)C(=O)NCCNS(C)(=O)=O ZINC000637904532 351775504 /nfs/dbraw/zinc/77/55/04/351775504.db2.gz JKUBWKXKODZLCH-SSDOTTSWSA-N 1 0 237.325 -1.350 20 0 BAADRO CC[NH2+][C@@H](C)C(=O)NCCNS(C)(=O)=O ZINC000637904541 351775538 /nfs/dbraw/zinc/77/55/38/351775538.db2.gz JKUBWKXKODZLCH-ZETCQYMHSA-N 1 0 237.325 -1.350 20 0 BAADRO [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000637909338 351783870 /nfs/dbraw/zinc/78/38/70/351783870.db2.gz QUVZBKVTDPLVGC-HLTSFMKQSA-N 1 0 241.291 -1.113 20 0 BAADRO [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000637909339 351783882 /nfs/dbraw/zinc/78/38/82/351783882.db2.gz QUVZBKVTDPLVGC-VGMNWLOBSA-N 1 0 241.291 -1.113 20 0 BAADRO COC[C@]1(C(=O)NCC(N)=O)CCCC[NH2+]1 ZINC000637927080 351801775 /nfs/dbraw/zinc/80/17/75/351801775.db2.gz OCFOEVKDZWCUJP-JTQLQIEISA-N 1 0 229.280 -1.253 20 0 BAADRO COC[C@@]1(C(=O)NCC(N)=O)CCCC[NH2+]1 ZINC000637927081 351801823 /nfs/dbraw/zinc/80/18/23/351801823.db2.gz OCFOEVKDZWCUJP-SNVBAGLBSA-N 1 0 229.280 -1.253 20 0 BAADRO C[C@@]1(C(=O)NCCCC(N)=O)C[NH2+]CCO1 ZINC000637932573 351811281 /nfs/dbraw/zinc/81/12/81/351811281.db2.gz GJCNOBXAHUXCNA-JTQLQIEISA-N 1 0 229.280 -1.253 20 0 BAADRO C[C@]1(C(=O)NCCCC(N)=O)C[NH2+]CCO1 ZINC000637932574 351811085 /nfs/dbraw/zinc/81/10/85/351811085.db2.gz GJCNOBXAHUXCNA-SNVBAGLBSA-N 1 0 229.280 -1.253 20 0 BAADRO CCNC(=O)CN(C)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000637935029 411448267 /nfs/dbraw/zinc/44/82/67/411448267.db2.gz HHHHNEZQKNXZQV-IONNQARKSA-N 1 0 229.280 -1.303 20 0 BAADRO CC(C)(CNC(=O)[C@@]1(C)C[NH2+]CCO1)C(N)=O ZINC000637936007 351811669 /nfs/dbraw/zinc/81/16/69/351811669.db2.gz LPABWFJGCBDEAY-LLVKDONJSA-N 1 0 243.307 -1.007 20 0 BAADRO CC(C)(CNC(=O)[C@]1(C)C[NH2+]CCO1)C(N)=O ZINC000637936008 351812113 /nfs/dbraw/zinc/81/21/13/351812113.db2.gz LPABWFJGCBDEAY-NSHDSACASA-N 1 0 243.307 -1.007 20 0 BAADRO CCNC(=O)CN(C)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000637936719 386683425 /nfs/dbraw/zinc/68/34/25/386683425.db2.gz QFOKUASRRFFCCL-LLVKDONJSA-N 1 0 243.307 -1.041 20 0 BAADRO CCNC(=O)CN(C)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000637936720 386683413 /nfs/dbraw/zinc/68/34/13/386683413.db2.gz QFOKUASRRFFCCL-NSHDSACASA-N 1 0 243.307 -1.041 20 0 BAADRO CNC(=O)CCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000637937037 398047123 /nfs/dbraw/zinc/04/71/23/398047123.db2.gz VPHMQBDKUSHTSO-JTQLQIEISA-N 1 0 229.280 -1.383 20 0 BAADRO CNC(=O)CCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000637937038 398047340 /nfs/dbraw/zinc/04/73/40/398047340.db2.gz VPHMQBDKUSHTSO-SNVBAGLBSA-N 1 0 229.280 -1.383 20 0 BAADRO CN1C[C@@H](NC(=O)[C@@]2(C)C[NH2+]CCO2)CC1=O ZINC000637961629 351835925 /nfs/dbraw/zinc/83/59/25/351835925.db2.gz OTLBGGVQDYUAKN-GZMMTYOYSA-N 1 0 241.291 -1.288 20 0 BAADRO CN1C[C@H](NC(=O)[C@]2(C)C[NH2+]CCO2)CC1=O ZINC000637961630 351836017 /nfs/dbraw/zinc/83/60/17/351836017.db2.gz OTLBGGVQDYUAKN-KCJUWKMLSA-N 1 0 241.291 -1.288 20 0 BAADRO CN1C[C@@H](NC(=O)[C@]2(C)C[NH2+]CCO2)CC1=O ZINC000637961631 351835607 /nfs/dbraw/zinc/83/56/07/351835607.db2.gz OTLBGGVQDYUAKN-KWQFWETISA-N 1 0 241.291 -1.288 20 0 BAADRO CN1C[C@H](NC(=O)[C@@]2(C)C[NH2+]CCO2)CC1=O ZINC000637961632 351835830 /nfs/dbraw/zinc/83/58/30/351835830.db2.gz OTLBGGVQDYUAKN-LDYMZIIASA-N 1 0 241.291 -1.288 20 0 BAADRO CN1C[C@@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1=O ZINC000637962132 411451514 /nfs/dbraw/zinc/45/15/14/411451514.db2.gz RYCRZKOSVZWOPN-ACLDMZEESA-N 1 0 227.264 -1.551 20 0 BAADRO CN1C[C@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1=O ZINC000637962133 411451536 /nfs/dbraw/zinc/45/15/36/411451536.db2.gz RYCRZKOSVZWOPN-BKPPORCPSA-N 1 0 227.264 -1.551 20 0 BAADRO CC[NH2+][C@H](C)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000637970040 351845027 /nfs/dbraw/zinc/84/50/27/351845027.db2.gz PBHBVVNHRRGIDX-HTQZYQBOSA-N 1 0 229.280 -1.303 20 0 BAADRO CC[NH2+][C@@H](C)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000637970042 351844806 /nfs/dbraw/zinc/84/48/06/351844806.db2.gz PBHBVVNHRRGIDX-JGVFFNPUSA-N 1 0 229.280 -1.303 20 0 BAADRO CC[NH2+][C@H](C)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000637970044 351844786 /nfs/dbraw/zinc/84/47/86/351844786.db2.gz PBHBVVNHRRGIDX-SFYZADRCSA-N 1 0 229.280 -1.303 20 0 BAADRO CC[NH2+][C@@H](C)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000637970046 351845199 /nfs/dbraw/zinc/84/51/99/351845199.db2.gz PBHBVVNHRRGIDX-YUMQZZPRSA-N 1 0 229.280 -1.303 20 0 BAADRO CNC(=O)CCN(C)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000637976922 351855125 /nfs/dbraw/zinc/85/51/25/351855125.db2.gz GCLPFEQPWATMQB-LLVKDONJSA-N 1 0 243.307 -1.041 20 0 BAADRO CNC(=O)CCN(C)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000637976923 351855079 /nfs/dbraw/zinc/85/50/79/351855079.db2.gz GCLPFEQPWATMQB-NSHDSACASA-N 1 0 243.307 -1.041 20 0 BAADRO CO[C@@]1(C[N@@H+]2CCO[C@H](C(N)=O)C2)CCOC1 ZINC000637990043 351866815 /nfs/dbraw/zinc/86/68/15/351866815.db2.gz DWLNUQHGAGCTEI-GXSJLCMTSA-N 1 0 244.291 -1.022 20 0 BAADRO CO[C@]1(C[N@@H+]2CCO[C@@H](C(N)=O)C2)CCOC1 ZINC000637990044 351866876 /nfs/dbraw/zinc/86/68/76/351866876.db2.gz DWLNUQHGAGCTEI-KOLCDFICSA-N 1 0 244.291 -1.022 20 0 BAADRO CO[C@@]1(C[N@@H+]2CCO[C@@H](C(N)=O)C2)CCOC1 ZINC000637990045 351867068 /nfs/dbraw/zinc/86/70/68/351867068.db2.gz DWLNUQHGAGCTEI-MWLCHTKSSA-N 1 0 244.291 -1.022 20 0 BAADRO CO[C@]1(C[N@@H+]2CCO[C@H](C(N)=O)C2)CCOC1 ZINC000637990046 351866779 /nfs/dbraw/zinc/86/67/79/351866779.db2.gz DWLNUQHGAGCTEI-ONGXEEELSA-N 1 0 244.291 -1.022 20 0 BAADRO CN1CC[C@H](NC(=O)[C@@]2(C)C[NH2+]CCO2)C1=O ZINC000637993479 351867797 /nfs/dbraw/zinc/86/77/97/351867797.db2.gz ZDLMTIRSRKZGNH-GZMMTYOYSA-N 1 0 241.291 -1.288 20 0 BAADRO CN1CC[C@@H](NC(=O)[C@]2(C)C[NH2+]CCO2)C1=O ZINC000637993480 351867780 /nfs/dbraw/zinc/86/77/80/351867780.db2.gz ZDLMTIRSRKZGNH-KCJUWKMLSA-N 1 0 241.291 -1.288 20 0 BAADRO CN1CC[C@H](NC(=O)[C@]2(C)C[NH2+]CCO2)C1=O ZINC000637993482 351867611 /nfs/dbraw/zinc/86/76/11/351867611.db2.gz ZDLMTIRSRKZGNH-KWQFWETISA-N 1 0 241.291 -1.288 20 0 BAADRO CN1CC[C@@H](NC(=O)[C@@]2(C)C[NH2+]CCO2)C1=O ZINC000637993484 351867964 /nfs/dbraw/zinc/86/79/64/351867964.db2.gz ZDLMTIRSRKZGNH-LDYMZIIASA-N 1 0 241.291 -1.288 20 0 BAADRO CN1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1=O ZINC000638002684 351877320 /nfs/dbraw/zinc/87/73/20/351877320.db2.gz CVVRPLJBGOPBNS-IONNQARKSA-N 1 0 227.264 -1.597 20 0 BAADRO CNC(=O)[C@@H](C)NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638004447 351878702 /nfs/dbraw/zinc/87/87/02/351878702.db2.gz ARRTVIWSWQQMMX-KCJUWKMLSA-N 1 0 243.307 -1.007 20 0 BAADRO CNC(=O)[C@@H](C)NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638004448 351879193 /nfs/dbraw/zinc/87/91/93/351879193.db2.gz ARRTVIWSWQQMMX-LDYMZIIASA-N 1 0 243.307 -1.007 20 0 BAADRO CN1CCC[C@@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1=O ZINC000638004488 351878904 /nfs/dbraw/zinc/87/89/04/351878904.db2.gz BLLOROLSZKEADA-DJLDLDEBSA-N 1 0 241.291 -1.160 20 0 BAADRO CN1CCC[C@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1=O ZINC000638004489 351879160 /nfs/dbraw/zinc/87/91/60/351879160.db2.gz BLLOROLSZKEADA-XHNCKOQMSA-N 1 0 241.291 -1.160 20 0 BAADRO CNC(=O)[C@@H](C)NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638004531 351878708 /nfs/dbraw/zinc/87/87/08/351878708.db2.gz CPNDTAAHMLKBOG-GMSGAONNSA-N 1 0 229.280 -1.384 20 0 BAADRO CNC(=O)[C@@H](C)NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638004532 351878680 /nfs/dbraw/zinc/87/86/80/351878680.db2.gz CPNDTAAHMLKBOG-XCBNKYQSSA-N 1 0 229.280 -1.384 20 0 BAADRO CN1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC1=O ZINC000638004803 351879876 /nfs/dbraw/zinc/87/98/76/351879876.db2.gz UKPBWZZIYZTDAV-LLVKDONJSA-N 1 0 241.291 -1.335 20 0 BAADRO CN1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)CC1=O ZINC000638004805 351879857 /nfs/dbraw/zinc/87/98/57/351879857.db2.gz UKPBWZZIYZTDAV-NSHDSACASA-N 1 0 241.291 -1.335 20 0 BAADRO COC[C@H]1CN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CCO1 ZINC000638008157 351885121 /nfs/dbraw/zinc/88/51/21/351885121.db2.gz XPSCQOKRVIUKKN-KXUCPTDWSA-N 1 0 244.291 -1.024 20 0 BAADRO COC[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CCO1 ZINC000638008158 351885202 /nfs/dbraw/zinc/88/52/02/351885202.db2.gz XPSCQOKRVIUKKN-LPEHRKFASA-N 1 0 244.291 -1.024 20 0 BAADRO C[C@@H](NC(=O)[C@]1(C)C[NH2+]CCO1)C(=O)N(C)C ZINC000638026411 351908325 /nfs/dbraw/zinc/90/83/25/351908325.db2.gz PPFMZDXIIQWUDF-KCJUWKMLSA-N 1 0 243.307 -1.042 20 0 BAADRO C[C@@H](NC(=O)[C@@]1(C)C[NH2+]CCO1)C(=O)N(C)C ZINC000638026412 351908265 /nfs/dbraw/zinc/90/82/65/351908265.db2.gz PPFMZDXIIQWUDF-LDYMZIIASA-N 1 0 243.307 -1.042 20 0 BAADRO CNC(=O)[C@H](C)CN(C)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638040067 351920911 /nfs/dbraw/zinc/92/09/11/351920911.db2.gz JIIPTHSQMJXHOY-HRDYMLBCSA-N 1 0 243.307 -1.057 20 0 BAADRO CNC(=O)[C@@H](C)CN(C)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638040068 351920878 /nfs/dbraw/zinc/92/08/78/351920878.db2.gz JIIPTHSQMJXHOY-XHNCKOQMSA-N 1 0 243.307 -1.057 20 0 BAADRO CO[C@]1(C[N@H+]2C[C@@H](O)[C@@H](O)C2)CCOC1 ZINC000638095795 644558368 /nfs/dbraw/zinc/55/83/68/644558368.db2.gz VWAUBDPVHMDJDK-AEJSXWLSSA-N 1 0 217.265 -1.171 20 0 BAADRO CO[C@@]1(C[N@H+]2C[C@@H](O)[C@@H](O)C2)CCOC1 ZINC000638095808 644557922 /nfs/dbraw/zinc/55/79/22/644557922.db2.gz VWAUBDPVHMDJDK-KXUCPTDWSA-N 1 0 217.265 -1.171 20 0 BAADRO C[C@H](C[NH3+])CNC(=O)CN1CC(=O)N(C)C1=O ZINC000638141103 352004788 /nfs/dbraw/zinc/00/47/88/352004788.db2.gz GYZBNHCFNRPDCD-SSDOTTSWSA-N 1 0 242.279 -1.409 20 0 BAADRO C[C@@H](C[NH3+])CNC(=O)CN1CC(=O)N(C)C1=O ZINC000638141104 352004323 /nfs/dbraw/zinc/00/43/23/352004323.db2.gz GYZBNHCFNRPDCD-ZETCQYMHSA-N 1 0 242.279 -1.409 20 0 BAADRO C[C@H](C[NH3+])CNC(=O)[C@H](C)N1CCNCC1=O ZINC000638141925 352006048 /nfs/dbraw/zinc/00/60/48/352006048.db2.gz PGODEBJZOAFSMB-BDAKNGLRSA-N 1 0 242.323 -1.482 20 0 BAADRO C[C@H](C(=O)NC[C@@H](C)C[NH3+])N1CCNCC1=O ZINC000638141943 352006087 /nfs/dbraw/zinc/00/60/87/352006087.db2.gz PGODEBJZOAFSMB-DTWKUNHWSA-N 1 0 242.323 -1.482 20 0 BAADRO C[C@@H](C[NH3+])CNC(=O)[C@H](C)N1CCNCC1=O ZINC000638141944 352006095 /nfs/dbraw/zinc/00/60/95/352006095.db2.gz PGODEBJZOAFSMB-IUCAKERBSA-N 1 0 242.323 -1.482 20 0 BAADRO C[C@H](C[NH3+])CNC(=O)[C@@H](C)N1CCNCC1=O ZINC000638141946 352006256 /nfs/dbraw/zinc/00/62/56/352006256.db2.gz PGODEBJZOAFSMB-RKDXNWHRSA-N 1 0 242.323 -1.482 20 0 BAADRO C[C@@H](C[NH3+])CNC(=O)C1CS(=O)(=O)C1 ZINC000638144849 352007438 /nfs/dbraw/zinc/00/74/38/352007438.db2.gz OTXCHTSPVLFKLL-LURJTMIESA-N 1 0 220.294 -1.258 20 0 BAADRO C[C@H](C[NH3+])CNC(=O)C1CS(=O)(=O)C1 ZINC000638144854 352007503 /nfs/dbraw/zinc/00/75/03/352007503.db2.gz OTXCHTSPVLFKLL-ZCFIWIBFSA-N 1 0 220.294 -1.258 20 0 BAADRO CCC[NH2+]CCNC(=O)Cn1cnc(N)n1 ZINC000638145552 411911583 /nfs/dbraw/zinc/91/15/83/411911583.db2.gz KCICYHHMDTWBFE-UHFFFAOYSA-N 1 0 226.284 -1.024 20 0 BAADRO C[C@H](CC[NH3+])NC(=O)[C@H](C)N1CCNCC1=O ZINC000638152648 352016664 /nfs/dbraw/zinc/01/66/64/352016664.db2.gz AYTLXGNJLWEXOQ-BDAKNGLRSA-N 1 0 242.323 -1.340 20 0 BAADRO C[C@H](C(=O)N[C@@H](C)CC[NH3+])N1CCNCC1=O ZINC000638152650 352016859 /nfs/dbraw/zinc/01/68/59/352016859.db2.gz AYTLXGNJLWEXOQ-DTWKUNHWSA-N 1 0 242.323 -1.340 20 0 BAADRO C[C@@H](CC[NH3+])NC(=O)[C@H](C)N1CCNCC1=O ZINC000638152651 352016477 /nfs/dbraw/zinc/01/64/77/352016477.db2.gz AYTLXGNJLWEXOQ-IUCAKERBSA-N 1 0 242.323 -1.340 20 0 BAADRO C[C@H](CC[NH3+])NC(=O)[C@@H](C)N1CCNCC1=O ZINC000638152653 352016684 /nfs/dbraw/zinc/01/66/84/352016684.db2.gz AYTLXGNJLWEXOQ-RKDXNWHRSA-N 1 0 242.323 -1.340 20 0 BAADRO C[C@@H](CC[NH3+])NC(=O)C1CS(=O)(=O)C1 ZINC000638152732 352016915 /nfs/dbraw/zinc/01/69/15/352016915.db2.gz BNKIOTXOGQDFBB-LURJTMIESA-N 1 0 220.294 -1.116 20 0 BAADRO C[C@H](CC[NH3+])NC(=O)C1CS(=O)(=O)C1 ZINC000638152733 352016514 /nfs/dbraw/zinc/01/65/14/352016514.db2.gz BNKIOTXOGQDFBB-ZCFIWIBFSA-N 1 0 220.294 -1.116 20 0 BAADRO COCC[NH2+]CCNC(=O)[C@]1(C)CCNC1=O ZINC000638153044 352017365 /nfs/dbraw/zinc/01/73/65/352017365.db2.gz NMGWSCDDVGZUQF-LLVKDONJSA-N 1 0 243.307 -1.135 20 0 BAADRO COCC[NH2+]CCNC(=O)[C@@]1(C)CCNC1=O ZINC000638153048 352017328 /nfs/dbraw/zinc/01/73/28/352017328.db2.gz NMGWSCDDVGZUQF-NSHDSACASA-N 1 0 243.307 -1.135 20 0 BAADRO C[C@@H]1CN(C(=O)Cn2cnc(N)n2)[C@H](C)C[NH2+]1 ZINC000638154420 411906156 /nfs/dbraw/zinc/90/61/56/411906156.db2.gz BHHZLDFIXKQRHQ-HTQZYQBOSA-N 1 0 238.295 -0.931 20 0 BAADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Cn1cnc(N)n1 ZINC000638154421 411912665 /nfs/dbraw/zinc/91/26/65/411912665.db2.gz BHHZLDFIXKQRHQ-JGVFFNPUSA-N 1 0 238.295 -0.931 20 0 BAADRO C[C@@H]1CN(C(=O)Cn2cnc(N)n2)[C@@H](C)C[NH2+]1 ZINC000638154422 411905835 /nfs/dbraw/zinc/90/58/35/411905835.db2.gz BHHZLDFIXKQRHQ-SFYZADRCSA-N 1 0 238.295 -0.931 20 0 BAADRO C[C@H]1CN(C(=O)Cn2cnc(N)n2)[C@@H](C)C[NH2+]1 ZINC000638154423 411456401 /nfs/dbraw/zinc/45/64/01/411456401.db2.gz BHHZLDFIXKQRHQ-YUMQZZPRSA-N 1 0 238.295 -0.931 20 0 BAADRO [NH3+][C@H](CNC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC000638156208 352018915 /nfs/dbraw/zinc/01/89/15/352018915.db2.gz XJPXBAHOLOYGIP-MRVPVSSYSA-N 1 0 232.305 -1.116 20 0 BAADRO [NH3+][C@@H](CNC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC000638156209 352019039 /nfs/dbraw/zinc/01/90/39/352019039.db2.gz XJPXBAHOLOYGIP-QMMMGPOBSA-N 1 0 232.305 -1.116 20 0 BAADRO [NH3+]C[C@@H]1CN(C(=O)[C@H]2C[C@@H](O)C2)CCO1 ZINC000638170223 352034748 /nfs/dbraw/zinc/03/47/48/352034748.db2.gz DWPCLRBFLMXXCU-HRDYMLBCSA-N 1 0 214.265 -1.057 20 0 BAADRO [NH3+]C[C@H]1CN(C(=O)[C@H]2C[C@@H](O)C2)CCO1 ZINC000638170230 352034786 /nfs/dbraw/zinc/03/47/86/352034786.db2.gz DWPCLRBFLMXXCU-YIZRAAEISA-N 1 0 214.265 -1.057 20 0 BAADRO C[C@H](C[NH3+])NC(=O)[C@@H](C)N1CCNCC1=O ZINC000638170282 352034426 /nfs/dbraw/zinc/03/44/26/352034426.db2.gz IUDUTRWQBBLXPU-HTQZYQBOSA-N 1 0 228.296 -1.730 20 0 BAADRO C[C@H](C[NH3+])NC(=O)[C@H](C)N1CCNCC1=O ZINC000638170288 352034576 /nfs/dbraw/zinc/03/45/76/352034576.db2.gz IUDUTRWQBBLXPU-SFYZADRCSA-N 1 0 228.296 -1.730 20 0 BAADRO NCC(F)(F)CNC(=O)CN1CC[NH2+]CC1 ZINC000638175133 352040216 /nfs/dbraw/zinc/04/02/16/352040216.db2.gz WJXLZSQICQBEDV-UHFFFAOYSA-N 1 0 236.266 -1.398 20 0 BAADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Cn1cnc(N)n1 ZINC000638178932 411906316 /nfs/dbraw/zinc/90/63/16/411906316.db2.gz OYZZQOXGGHOFJC-HTQZYQBOSA-N 1 0 238.295 -1.026 20 0 BAADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Cn1cnc(N)n1 ZINC000638178939 411929443 /nfs/dbraw/zinc/92/94/43/411929443.db2.gz OYZZQOXGGHOFJC-JGVFFNPUSA-N 1 0 238.295 -1.026 20 0 BAADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Cn1cnc(N)n1 ZINC000638178940 411905942 /nfs/dbraw/zinc/90/59/42/411905942.db2.gz OYZZQOXGGHOFJC-SFYZADRCSA-N 1 0 238.295 -1.026 20 0 BAADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Cn1cnc(N)n1 ZINC000638178943 411929973 /nfs/dbraw/zinc/92/99/73/411929973.db2.gz OYZZQOXGGHOFJC-YUMQZZPRSA-N 1 0 238.295 -1.026 20 0 BAADRO Nc1ncc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c(N)n1 ZINC000638186236 352051187 /nfs/dbraw/zinc/05/11/87/352051187.db2.gz ORCYPIWNLLAEON-HTQZYQBOSA-N 1 0 234.307 -1.047 20 0 BAADRO Nc1ncc(CN2C[C@H]3C[NH2+]C[C@H]3C2)c(N)n1 ZINC000638186237 352051085 /nfs/dbraw/zinc/05/10/85/352051085.db2.gz ORCYPIWNLLAEON-OCAPTIKFSA-N 1 0 234.307 -1.047 20 0 BAADRO Nc1ncc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c(N)n1 ZINC000638186238 352051262 /nfs/dbraw/zinc/05/12/62/352051262.db2.gz ORCYPIWNLLAEON-YUMQZZPRSA-N 1 0 234.307 -1.047 20 0 BAADRO C[C@H]1[NH2+]CCN(C(=O)Cn2cnc(N)n2)[C@@H]1C ZINC000638204119 411933168 /nfs/dbraw/zinc/93/31/68/411933168.db2.gz JAAOBWKOLLPNEH-HTQZYQBOSA-N 1 0 238.295 -0.931 20 0 BAADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)Cn1cnc(N)n1 ZINC000638204121 411914301 /nfs/dbraw/zinc/91/43/01/411914301.db2.gz JAAOBWKOLLPNEH-JGVFFNPUSA-N 1 0 238.295 -0.931 20 0 BAADRO C[C@H]1[NH2+]CCN(C(=O)Cn2cnc(N)n2)[C@H]1C ZINC000638204123 411932059 /nfs/dbraw/zinc/93/20/59/411932059.db2.gz JAAOBWKOLLPNEH-SFYZADRCSA-N 1 0 238.295 -0.931 20 0 BAADRO C[C@@H]1[NH2+]CCN(C(=O)Cn2cnc(N)n2)[C@H]1C ZINC000638204125 411914611 /nfs/dbraw/zinc/91/46/11/411914611.db2.gz JAAOBWKOLLPNEH-YUMQZZPRSA-N 1 0 238.295 -0.931 20 0 BAADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)Cn1cnc(N)n1 ZINC000638208868 411915987 /nfs/dbraw/zinc/91/59/87/411915987.db2.gz WBMQVHQUKZAYRN-YUMQZZPRSA-N 1 0 238.295 -0.883 20 0 BAADRO C[C@@H]([NH3+])CNC(=O)[C@@H](C)N1CCNCC1=O ZINC000638211939 352073938 /nfs/dbraw/zinc/07/39/38/352073938.db2.gz VNXRJAPESCQUMS-HTQZYQBOSA-N 1 0 228.296 -1.730 20 0 BAADRO C[C@H](C(=O)NC[C@H](C)[NH3+])N1CCNCC1=O ZINC000638211940 352074229 /nfs/dbraw/zinc/07/42/29/352074229.db2.gz VNXRJAPESCQUMS-JGVFFNPUSA-N 1 0 228.296 -1.730 20 0 BAADRO C[C@@H]([NH3+])CNC(=O)[C@H](C)N1CCNCC1=O ZINC000638211941 352074207 /nfs/dbraw/zinc/07/42/07/352074207.db2.gz VNXRJAPESCQUMS-SFYZADRCSA-N 1 0 228.296 -1.730 20 0 BAADRO C[C@H]([NH3+])CNC(=O)[C@H](C)N1CCNCC1=O ZINC000638211942 352073953 /nfs/dbraw/zinc/07/39/53/352073953.db2.gz VNXRJAPESCQUMS-YUMQZZPRSA-N 1 0 228.296 -1.730 20 0 BAADRO O=C(C1CS(=O)(=O)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638213538 352075805 /nfs/dbraw/zinc/07/58/05/352075805.db2.gz DBVDUFBIEILDPK-OCAPTIKFSA-N 1 0 244.316 -1.291 20 0 BAADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(N)=O ZINC000638223415 352083256 /nfs/dbraw/zinc/08/32/56/352083256.db2.gz AVRIINGMIVOPOV-WDSKDSINSA-N 1 0 203.217 -1.370 20 0 BAADRO C[C@H](C(=O)NCC[NH+](C)C)N1CCNCC1=O ZINC000638227042 352083079 /nfs/dbraw/zinc/08/30/79/352083079.db2.gz MIEXLOLDCNQLDF-SECBINFHSA-N 1 0 242.323 -1.516 20 0 BAADRO C[C@@H](C(=O)NCC[NH+](C)C)N1CCNCC1=O ZINC000638227043 352083233 /nfs/dbraw/zinc/08/32/33/352083233.db2.gz MIEXLOLDCNQLDF-VIFPVBQESA-N 1 0 242.323 -1.516 20 0 BAADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C1CS(=O)(=O)C1 ZINC000638236742 352088353 /nfs/dbraw/zinc/08/83/53/352088353.db2.gz HQRLFCUTZNQYTQ-XPUUQOCRSA-N 1 0 232.305 -1.021 20 0 BAADRO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCNC1=O ZINC000638242880 352090327 /nfs/dbraw/zinc/09/03/27/352090327.db2.gz IUSWNWCGNDRQBU-OFHVYEONSA-N 1 0 223.276 -1.153 20 0 BAADRO C[C@]1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCNC1=O ZINC000638242881 352089902 /nfs/dbraw/zinc/08/99/02/352089902.db2.gz IUSWNWCGNDRQBU-RFOGZPIASA-N 1 0 223.276 -1.153 20 0 BAADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CS(=O)(=O)C1 ZINC000638247431 352093558 /nfs/dbraw/zinc/09/35/58/352093558.db2.gz XWBJLZHHMGFKKY-JIGDXULJSA-N 1 0 230.289 -1.635 20 0 BAADRO C[C@@]1(F)CNCCN(C(=O)C(N)=O)C1 ZINC000638253052 352096387 /nfs/dbraw/zinc/09/63/87/352096387.db2.gz HDJFTHCUOOCKEV-MRVPVSSYSA-N 1 0 203.217 -1.368 20 0 BAADRO C[C@]1(F)CNCCN(C(=O)C(N)=O)C1 ZINC000638253053 352096268 /nfs/dbraw/zinc/09/62/68/352096268.db2.gz HDJFTHCUOOCKEV-QMMMGPOBSA-N 1 0 203.217 -1.368 20 0 BAADRO C[C@H]([NH3+])[C@H](C)NC(=O)[C@H](C)N1CCNCC1=O ZINC000638253736 352096961 /nfs/dbraw/zinc/09/69/61/352096961.db2.gz ACZCINLJNVBWLG-CIUDSAMLSA-N 1 0 242.323 -1.341 20 0 BAADRO C[C@@H](NC(=O)[C@@H](C)N1CCNCC1=O)[C@H](C)[NH3+] ZINC000638253739 352097043 /nfs/dbraw/zinc/09/70/43/352097043.db2.gz ACZCINLJNVBWLG-DJLDLDEBSA-N 1 0 242.323 -1.341 20 0 BAADRO C[C@H](C(=O)N[C@@H](C)[C@H](C)[NH3+])N1CCNCC1=O ZINC000638253742 352097099 /nfs/dbraw/zinc/09/70/99/352097099.db2.gz ACZCINLJNVBWLG-XHNCKOQMSA-N 1 0 242.323 -1.341 20 0 BAADRO C[C@@H](NC(=O)[C@H](C)N1CCNCC1=O)[C@H](C)[NH3+] ZINC000638253744 352096899 /nfs/dbraw/zinc/09/68/99/352096899.db2.gz ACZCINLJNVBWLG-YIZRAAEISA-N 1 0 242.323 -1.341 20 0 BAADRO C[C@@H](NC(=O)C1CS(=O)(=O)C1)[C@H](C)[NH3+] ZINC000638254388 352097662 /nfs/dbraw/zinc/09/76/62/352097662.db2.gz HJUYZGIUJKRNEC-NTSWFWBYSA-N 1 0 220.294 -1.117 20 0 BAADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC000638254390 352097591 /nfs/dbraw/zinc/09/75/91/352097591.db2.gz HJUYZGIUJKRNEC-PHDIDXHHSA-N 1 0 220.294 -1.117 20 0 BAADRO C[C@@H]([NH3+])[C@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC000638254392 352097557 /nfs/dbraw/zinc/09/75/57/352097557.db2.gz HJUYZGIUJKRNEC-RITPCOANSA-N 1 0 220.294 -1.117 20 0 BAADRO C[C@H]([NH3+])[C@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC000638254393 352097537 /nfs/dbraw/zinc/09/75/37/352097537.db2.gz HJUYZGIUJKRNEC-WDSKDSINSA-N 1 0 220.294 -1.117 20 0 BAADRO CC[C@@H]([NH3+])CNC(=O)C1CS(=O)(=O)C1 ZINC000638254422 352097553 /nfs/dbraw/zinc/09/75/53/352097553.db2.gz HUDVMBAFDVAHKE-SSDOTTSWSA-N 1 0 220.294 -1.116 20 0 BAADRO CC[C@H]([NH3+])CNC(=O)C1CS(=O)(=O)C1 ZINC000638254423 352097408 /nfs/dbraw/zinc/09/74/08/352097408.db2.gz HUDVMBAFDVAHKE-ZETCQYMHSA-N 1 0 220.294 -1.116 20 0 BAADRO CN(C(=O)C1CS(=O)(=O)C1)C1CC([NH3+])C1 ZINC000638256228 352103784 /nfs/dbraw/zinc/10/37/84/352103784.db2.gz RMRZDFCDVXMTRW-UHFFFAOYSA-N 1 0 232.305 -1.021 20 0 BAADRO CC[C@@H]([NH3+])CNC(=O)CN1CC(=O)N(C)C1=O ZINC000638258637 352102433 /nfs/dbraw/zinc/10/24/33/352102433.db2.gz JLZZHNPMUOBSPF-SSDOTTSWSA-N 1 0 242.279 -1.266 20 0 BAADRO CC[C@H]([NH3+])CNC(=O)CN1CC(=O)N(C)C1=O ZINC000638258638 352102351 /nfs/dbraw/zinc/10/23/51/352102351.db2.gz JLZZHNPMUOBSPF-ZETCQYMHSA-N 1 0 242.279 -1.266 20 0 BAADRO CC1(C)[NH2+]CC[C@H]1NC(=O)Cn1cnc(N)n1 ZINC000638269986 411890262 /nfs/dbraw/zinc/89/02/62/411890262.db2.gz CTEDZHNJBNDZFU-SSDOTTSWSA-N 1 0 238.295 -0.883 20 0 BAADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Cn1cnc(N)n1 ZINC000638269987 411890862 /nfs/dbraw/zinc/89/08/62/411890862.db2.gz CTEDZHNJBNDZFU-ZETCQYMHSA-N 1 0 238.295 -0.883 20 0 BAADRO CC[NH2+][C@H](C)C(=O)NCCn1ncnn1 ZINC000638284549 352121192 /nfs/dbraw/zinc/12/11/92/352121192.db2.gz HLYFNBOTUCJIHP-SSDOTTSWSA-N 1 0 212.257 -1.213 20 0 BAADRO CC[NH2+][C@@H](C)C(=O)NCCn1ncnn1 ZINC000638284566 352122121 /nfs/dbraw/zinc/12/21/21/352122121.db2.gz HLYFNBOTUCJIHP-ZETCQYMHSA-N 1 0 212.257 -1.213 20 0 BAADRO C[C@]1(C(=O)NCCn2ncnn2)C[NH2+]CCO1 ZINC000638284927 352121935 /nfs/dbraw/zinc/12/19/35/352121935.db2.gz IPSOJEBBTBDEQI-SECBINFHSA-N 1 0 240.267 -1.832 20 0 BAADRO C[C@@]1(C(=O)NCCn2ncnn2)C[NH2+]CCO1 ZINC000638284928 352121923 /nfs/dbraw/zinc/12/19/23/352121923.db2.gz IPSOJEBBTBDEQI-VIFPVBQESA-N 1 0 240.267 -1.832 20 0 BAADRO C[C@H](NC(=O)[C@@]1(C)C[NH2+]CCO1)C(=O)N(C)C ZINC000638290055 386121971 /nfs/dbraw/zinc/12/19/71/386121971.db2.gz PPFMZDXIIQWUDF-GZMMTYOYSA-N 1 0 243.307 -1.042 20 0 BAADRO C[C@H](NC(=O)[C@]1(C)C[NH2+]CCO1)C(=O)N(C)C ZINC000638290056 386123926 /nfs/dbraw/zinc/12/39/26/386123926.db2.gz PPFMZDXIIQWUDF-KWQFWETISA-N 1 0 243.307 -1.042 20 0 BAADRO CCN(C)C(=O)CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638304483 352134890 /nfs/dbraw/zinc/13/48/90/352134890.db2.gz HLFBLHZZASKJGB-LLVKDONJSA-N 1 0 243.307 -1.041 20 0 BAADRO CCN(C)C(=O)CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638304485 352134900 /nfs/dbraw/zinc/13/49/00/352134900.db2.gz HLFBLHZZASKJGB-NSHDSACASA-N 1 0 243.307 -1.041 20 0 BAADRO CC[NH2+][C@H](C)C(=O)N1CCO[C@H](C(=O)NC)C1 ZINC000638304723 352135619 /nfs/dbraw/zinc/13/56/19/352135619.db2.gz SRGSJVOAEKWRDM-BDAKNGLRSA-N 1 0 243.307 -1.042 20 0 BAADRO CC[NH2+][C@@H](C)C(=O)N1CCO[C@@H](C(=O)NC)C1 ZINC000638304724 352135729 /nfs/dbraw/zinc/13/57/29/352135729.db2.gz SRGSJVOAEKWRDM-DTWKUNHWSA-N 1 0 243.307 -1.042 20 0 BAADRO CC[NH2+][C@@H](C)C(=O)N1CCO[C@H](C(=O)NC)C1 ZINC000638304726 352135686 /nfs/dbraw/zinc/13/56/86/352135686.db2.gz SRGSJVOAEKWRDM-IUCAKERBSA-N 1 0 243.307 -1.042 20 0 BAADRO CC[NH2+][C@H](C)C(=O)N1CCO[C@@H](C(=O)NC)C1 ZINC000638304728 352135506 /nfs/dbraw/zinc/13/55/06/352135506.db2.gz SRGSJVOAEKWRDM-RKDXNWHRSA-N 1 0 243.307 -1.042 20 0 BAADRO O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1C[C@@H](O)C1 ZINC000638337792 352157119 /nfs/dbraw/zinc/15/71/19/352157119.db2.gz KEMADGGXPWBHIY-HRDYMLBCSA-N 1 0 214.265 -1.138 20 0 BAADRO O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1C[C@@H](O)C1 ZINC000638337793 352156937 /nfs/dbraw/zinc/15/69/37/352156937.db2.gz KEMADGGXPWBHIY-YIZRAAEISA-N 1 0 214.265 -1.138 20 0 BAADRO O=C(NC[C@H]1C[NH2+]CCO1)c1cc(=O)[nH]cn1 ZINC000638337966 352158039 /nfs/dbraw/zinc/15/80/39/352158039.db2.gz OCFZQURETUQPAI-SSDOTTSWSA-N 1 0 238.247 -1.100 20 0 BAADRO O=C(NC[C@@H]1C[NH2+]CCO1)c1cc(=O)[nH]cn1 ZINC000638337967 352158074 /nfs/dbraw/zinc/15/80/74/352158074.db2.gz OCFZQURETUQPAI-ZETCQYMHSA-N 1 0 238.247 -1.100 20 0 BAADRO C[C@H](C(=O)N(C)CC[NH3+])N1CCNCC1=O ZINC000638343926 352163061 /nfs/dbraw/zinc/16/30/61/352163061.db2.gz PZBQTICNEXOSRD-MRVPVSSYSA-N 1 0 228.296 -1.776 20 0 BAADRO C[C@@H](C(=O)N(C)CC[NH3+])N1CCNCC1=O ZINC000638343929 352163164 /nfs/dbraw/zinc/16/31/64/352163164.db2.gz PZBQTICNEXOSRD-QMMMGPOBSA-N 1 0 228.296 -1.776 20 0 BAADRO CC(=O)NCCN(C)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638373688 352186524 /nfs/dbraw/zinc/18/65/24/352186524.db2.gz HWIFOXHYCKJPMS-LLVKDONJSA-N 1 0 243.307 -1.041 20 0 BAADRO CC(=O)NCCN(C)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638373689 352186489 /nfs/dbraw/zinc/18/64/89/352186489.db2.gz HWIFOXHYCKJPMS-NSHDSACASA-N 1 0 243.307 -1.041 20 0 BAADRO CCN1C[C@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1=O ZINC000638377478 352188539 /nfs/dbraw/zinc/18/85/39/352188539.db2.gz LCXNTZANIKKPGR-KHQFGBGNSA-N 1 0 241.291 -1.160 20 0 BAADRO CCN1C[C@@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1=O ZINC000638377479 352188767 /nfs/dbraw/zinc/18/87/67/352188767.db2.gz LCXNTZANIKKPGR-OYNCUSHFSA-N 1 0 241.291 -1.160 20 0 BAADRO CCO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C[NH3+] ZINC000638390093 352198202 /nfs/dbraw/zinc/19/82/02/352198202.db2.gz JUGOXHLGNORJNB-RNFRBKRXSA-N 1 0 215.253 -1.706 20 0 BAADRO CN(C[C@@H]1COCCO1)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638414340 352222628 /nfs/dbraw/zinc/22/26/28/352222628.db2.gz NRSIRBSMOYNMPG-KXUCPTDWSA-N 1 0 244.291 -1.024 20 0 BAADRO CN(C[C@H]1COCCO1)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638414341 352222920 /nfs/dbraw/zinc/22/29/20/352222920.db2.gz NRSIRBSMOYNMPG-LPEHRKFASA-N 1 0 244.291 -1.024 20 0 BAADRO [NH3+]CC12CC(C1)CN2C(=O)C1CS(=O)(=O)C1 ZINC000638417738 352227341 /nfs/dbraw/zinc/22/73/41/352227341.db2.gz JXJBNNOMWBGSEQ-UHFFFAOYSA-N 1 0 244.316 -1.019 20 0 BAADRO CN1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CCC1=O ZINC000638420960 352229718 /nfs/dbraw/zinc/22/97/18/352229718.db2.gz QZNLWUYITNPPPQ-WCBMZHEXSA-N 1 0 241.291 -1.207 20 0 BAADRO O=C(NCC12CC(C1)C[NH2+]2)C1CS(=O)(=O)C1 ZINC000638428127 352236418 /nfs/dbraw/zinc/23/64/18/352236418.db2.gz RBUDCUVKYBELDM-UHFFFAOYSA-N 1 0 244.316 -1.101 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC000638431541 352239767 /nfs/dbraw/zinc/23/97/67/352239767.db2.gz GACOGTBOQQICLL-LURJTMIESA-N 1 0 220.294 -1.245 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC000638431543 352239746 /nfs/dbraw/zinc/23/97/46/352239746.db2.gz GACOGTBOQQICLL-ZCFIWIBFSA-N 1 0 220.294 -1.245 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)[C@H](C)N1CCNCC1=O ZINC000638432853 352241829 /nfs/dbraw/zinc/24/18/29/352241829.db2.gz RWNFRWBCVNNPCQ-BDAKNGLRSA-N 1 0 242.323 -1.469 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)[C@@H](C)N1CCNCC1=O ZINC000638432854 352241807 /nfs/dbraw/zinc/24/18/07/352241807.db2.gz RWNFRWBCVNNPCQ-DTWKUNHWSA-N 1 0 242.323 -1.469 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)[C@H](C)N1CCNCC1=O ZINC000638432855 352241393 /nfs/dbraw/zinc/24/13/93/352241393.db2.gz RWNFRWBCVNNPCQ-IUCAKERBSA-N 1 0 242.323 -1.469 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)N1CCNCC1=O ZINC000638432856 352241422 /nfs/dbraw/zinc/24/14/22/352241422.db2.gz RWNFRWBCVNNPCQ-RKDXNWHRSA-N 1 0 242.323 -1.469 20 0 BAADRO O=C(CN1CC[NH2+]CC1)NCCOCCF ZINC000638437394 352244357 /nfs/dbraw/zinc/24/43/57/352244357.db2.gz SPXNIPKAEAVZTD-UHFFFAOYSA-N 1 0 233.287 -1.006 20 0 BAADRO O=C([C@H]1C[C@@H](O)C1)N1CCOC2(C[NH2+]C2)C1 ZINC000638440625 352246734 /nfs/dbraw/zinc/24/67/34/352246734.db2.gz UHSQDSGAIMDVIW-DTORHVGOSA-N 1 0 226.276 -1.042 20 0 BAADRO C[C@@]1(NC(=O)C2CS(=O)(=O)C2)CC[NH2+]C1 ZINC000638440677 352246995 /nfs/dbraw/zinc/24/69/95/352246995.db2.gz PEQRXSFLKBEONP-SECBINFHSA-N 1 0 232.305 -1.101 20 0 BAADRO C[C@]1(NC(=O)C2CS(=O)(=O)C2)CC[NH2+]C1 ZINC000638440679 352246612 /nfs/dbraw/zinc/24/66/12/352246612.db2.gz PEQRXSFLKBEONP-VIFPVBQESA-N 1 0 232.305 -1.101 20 0 BAADRO CC1(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)C[NH2+]C1 ZINC000638444415 352250751 /nfs/dbraw/zinc/25/07/51/352250751.db2.gz BHPINFGIPFBTPB-KNVOCYPGSA-N 1 0 211.265 -1.024 20 0 BAADRO NC(=O)[C@H]1C[C@@H](NC(=O)CCOC2C[NH2+]C2)C1 ZINC000638444700 352251245 /nfs/dbraw/zinc/25/12/45/352251245.db2.gz FADBBRBNKYSKEM-OCAPTIKFSA-N 1 0 241.291 -1.255 20 0 BAADRO C[C@@]1(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)C[NH2+]CCO1 ZINC000638445002 386497857 /nfs/dbraw/zinc/49/78/57/386497857.db2.gz HLFVLMVQPVBNMG-RNSXUZJQSA-N 1 0 241.291 -1.255 20 0 BAADRO C[C@]1(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)C[NH2+]CCO1 ZINC000638445007 386497071 /nfs/dbraw/zinc/49/70/71/386497071.db2.gz HLFVLMVQPVBNMG-VHSKPIJISA-N 1 0 241.291 -1.255 20 0 BAADRO NC(=O)[C@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000638445107 352254423 /nfs/dbraw/zinc/25/44/23/352254423.db2.gz IYPARDUQJZMEJV-GJMOJQLCSA-N 1 0 227.264 -1.645 20 0 BAADRO NC(=O)[C@H]1C[C@@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000638445811 352255102 /nfs/dbraw/zinc/25/51/02/352255102.db2.gz PDZXUQGRSQFDAG-DTORHVGOSA-N 1 0 240.307 -1.728 20 0 BAADRO NC(=O)[C@H]1C[C@@H](NC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000638445832 352255324 /nfs/dbraw/zinc/25/53/24/352255324.db2.gz POTKXZIKYFXHOL-HRDYMLBCSA-N 1 0 241.291 -1.255 20 0 BAADRO NC(=O)[C@H]1C[C@@H](NC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000638445833 352255389 /nfs/dbraw/zinc/25/53/89/352255389.db2.gz POTKXZIKYFXHOL-YIZRAAEISA-N 1 0 241.291 -1.255 20 0 BAADRO CC1(OCC(=O)N[C@H]2C[C@@H](C(N)=O)C2)C[NH2+]C1 ZINC000638446146 352256375 /nfs/dbraw/zinc/25/63/75/352256375.db2.gz SSFBWBPFWIUOCV-OCAPTIKFSA-N 1 0 241.291 -1.255 20 0 BAADRO NC(=O)[C@H]1C[C@@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000638446524 352256366 /nfs/dbraw/zinc/25/63/66/352256366.db2.gz XRPJFLORYZGYOA-MTSMAUNKSA-N 1 0 223.276 -1.168 20 0 BAADRO NC(=O)[C@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000638447788 386497754 /nfs/dbraw/zinc/49/77/54/386497754.db2.gz IYPARDUQJZMEJV-RNJXMRFFSA-N 1 0 227.264 -1.645 20 0 BAADRO COCC[NH2+]CC(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000638448010 352254524 /nfs/dbraw/zinc/25/45/24/352254524.db2.gz MHQUJTZHTYOAQW-OCAPTIKFSA-N 1 0 229.280 -1.398 20 0 BAADRO NC(=O)[C@H]1C[C@@H](NC(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000638449235 352259819 /nfs/dbraw/zinc/25/98/19/352259819.db2.gz XDZSXTCMJYBUHQ-HRDYMLBCSA-N 1 0 241.291 -1.255 20 0 BAADRO NC(=O)[C@H]1C[C@@H](NC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000638449236 352259331 /nfs/dbraw/zinc/25/93/31/352259331.db2.gz XDZSXTCMJYBUHQ-YIZRAAEISA-N 1 0 241.291 -1.255 20 0 BAADRO O=C([C@H]1CC[NH2+]1)N1CCN(c2nccnn2)CC1 ZINC000638464206 352276210 /nfs/dbraw/zinc/27/62/10/352276210.db2.gz LGSVCCUBIPESSC-SECBINFHSA-N 1 0 248.290 -1.118 20 0 BAADRO [NH3+]CC(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000638493443 352306850 /nfs/dbraw/zinc/30/68/50/352306850.db2.gz HWEVXJVMHATXHW-UHFFFAOYSA-N 1 0 247.320 -1.419 20 0 BAADRO CCN(CC[NH3+])C(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000638512208 352336483 /nfs/dbraw/zinc/33/64/83/352336483.db2.gz FPPRXXAUKYSODR-SFYZADRCSA-N 1 0 229.280 -1.174 20 0 BAADRO CCN(CC[NH3+])C(=O)C1(n2cnnn2)CC1 ZINC000638512241 352335648 /nfs/dbraw/zinc/33/56/48/352335648.db2.gz GYDHPIUROORSRZ-UHFFFAOYSA-N 1 0 224.268 -1.031 20 0 BAADRO CCN(CC[NH3+])C(=O)C1CS(=O)(=O)C1 ZINC000638512245 398111568 /nfs/dbraw/zinc/11/15/68/398111568.db2.gz HGZRRMYUHXOICN-UHFFFAOYSA-N 1 0 220.294 -1.162 20 0 BAADRO CCN(CC[NH3+])C(=O)[C@H]1CN(C)C(=O)N1 ZINC000638512714 352339384 /nfs/dbraw/zinc/33/93/84/352339384.db2.gz JTLJHOSCWBJAPK-SSDOTTSWSA-N 1 0 214.269 -1.183 20 0 BAADRO CCN(CC[NH3+])C(=O)[C@@H]1CN(C)C(=O)N1 ZINC000638512715 352339280 /nfs/dbraw/zinc/33/92/80/352339280.db2.gz JTLJHOSCWBJAPK-ZETCQYMHSA-N 1 0 214.269 -1.183 20 0 BAADRO CCN(CC[NH3+])C(=O)CN1CC(=O)N(C)C1=O ZINC000638513303 352337138 /nfs/dbraw/zinc/33/71/38/352337138.db2.gz QMWMFMMLCMJTLD-UHFFFAOYSA-N 1 0 242.279 -1.312 20 0 BAADRO CC1(C)OC[C@H]2C[C@]21NC(=O)CNC(=O)C[NH3+] ZINC000638513542 386783552 /nfs/dbraw/zinc/78/35/52/386783552.db2.gz NCNISGNQFDXJGH-HQJQHLMTSA-N 1 0 241.291 -1.255 20 0 BAADRO CC1(C)OC[C@@H]2C[C@@]21NC(=O)CNC(=O)C[NH3+] ZINC000638513546 386782538 /nfs/dbraw/zinc/78/25/38/386782538.db2.gz NCNISGNQFDXJGH-WRWORJQWSA-N 1 0 241.291 -1.255 20 0 BAADRO CCN(CC[NH3+])C(=O)[C@@H](C)N1CCNCC1=O ZINC000638513890 352339709 /nfs/dbraw/zinc/33/97/09/352339709.db2.gz XPXHBSCVFFHSSY-SECBINFHSA-N 1 0 242.323 -1.386 20 0 BAADRO CCN(CC[NH3+])C(=O)[C@H](C)N1CCNCC1=O ZINC000638513891 352339695 /nfs/dbraw/zinc/33/96/95/352339695.db2.gz XPXHBSCVFFHSSY-VIFPVBQESA-N 1 0 242.323 -1.386 20 0 BAADRO CCN(CC[NH3+])C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000638515844 352342721 /nfs/dbraw/zinc/34/27/21/352342721.db2.gz GFWDCPIBDIRLMF-SSDOTTSWSA-N 1 0 235.309 -1.515 20 0 BAADRO CCN(CC[NH3+])C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000638515845 352343073 /nfs/dbraw/zinc/34/30/73/352343073.db2.gz GFWDCPIBDIRLMF-ZETCQYMHSA-N 1 0 235.309 -1.515 20 0 BAADRO CCN(CC[NH3+])C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000638515883 352343011 /nfs/dbraw/zinc/34/30/11/352343011.db2.gz IJJKUTPMLNGNMW-MRVPVSSYSA-N 1 0 249.336 -1.173 20 0 BAADRO CCN(CC[NH3+])C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000638515884 352342863 /nfs/dbraw/zinc/34/28/63/352342863.db2.gz IJJKUTPMLNGNMW-QMMMGPOBSA-N 1 0 249.336 -1.173 20 0 BAADRO CCN(CC[NH3+])C(=O)Cn1nc(C)n(C)c1=O ZINC000638516586 352344976 /nfs/dbraw/zinc/34/49/76/352344976.db2.gz VRXNGOSFVYPYFE-UHFFFAOYSA-N 1 0 241.295 -1.303 20 0 BAADRO CCN(CC[NH3+])C(=O)CN(C)C(=O)COC ZINC000638517411 352348068 /nfs/dbraw/zinc/34/80/68/352348068.db2.gz USOQMCKUEJMDDU-UHFFFAOYSA-N 1 0 231.296 -1.102 20 0 BAADRO CCN(CC[NH3+])C(=O)CNS(=O)(=O)CC ZINC000638517656 352349150 /nfs/dbraw/zinc/34/91/50/352349150.db2.gz YHPLKHQSOJQDDF-UHFFFAOYSA-N 1 0 237.325 -1.267 20 0 BAADRO CCN(CC[NH3+])C(=O)Cn1ncn(C)c1=O ZINC000638518546 352350671 /nfs/dbraw/zinc/35/06/71/352350671.db2.gz OZGPXIABVHBJNA-UHFFFAOYSA-N 1 0 227.268 -1.611 20 0 BAADRO CCN(CC[NH3+])C(=O)CS(=O)(=O)N(C)C ZINC000638518607 352350521 /nfs/dbraw/zinc/35/05/21/352350521.db2.gz RISOHXBKLVCMRT-UHFFFAOYSA-N 1 0 237.325 -1.315 20 0 BAADRO CCN(CC[NH3+])C(=O)CN1CC(=O)NC1=O ZINC000638518883 352350975 /nfs/dbraw/zinc/35/09/75/352350975.db2.gz JHKCIFBQEMDCHA-UHFFFAOYSA-N 1 0 228.252 -1.655 20 0 BAADRO CCN(CC[NH3+])C(=O)CS(=O)(=O)NC ZINC000638519853 352351461 /nfs/dbraw/zinc/35/14/61/352351461.db2.gz JWUVDZBYJJTUFZ-UHFFFAOYSA-N 1 0 223.298 -1.657 20 0 BAADRO CCN(CC[NH3+])C(=O)[C@@H](C)NS(C)(=O)=O ZINC000638520276 352354630 /nfs/dbraw/zinc/35/46/30/352354630.db2.gz GNALXORPNMIYJG-SSDOTTSWSA-N 1 0 237.325 -1.269 20 0 BAADRO CCN(CC[NH3+])C(=O)[C@H](C)NS(C)(=O)=O ZINC000638520277 352354201 /nfs/dbraw/zinc/35/42/01/352354201.db2.gz GNALXORPNMIYJG-ZETCQYMHSA-N 1 0 237.325 -1.269 20 0 BAADRO CCN(CC[NH3+])C(=O)CN1CCCS1(=O)=O ZINC000638520734 352354432 /nfs/dbraw/zinc/35/44/32/352354432.db2.gz OOAFGYGRPAZYFC-UHFFFAOYSA-N 1 0 249.336 -1.171 20 0 BAADRO CCN(CC[NH3+])C(=O)CN(C)S(C)(=O)=O ZINC000638521119 352356441 /nfs/dbraw/zinc/35/64/41/352356441.db2.gz XYNXEWAZEDHGLC-UHFFFAOYSA-N 1 0 237.325 -1.315 20 0 BAADRO CCN(CC[NH3+])C(=O)CCNS(C)(=O)=O ZINC000638521135 352356572 /nfs/dbraw/zinc/35/65/72/352356572.db2.gz YLKKBLUOMRBWMB-UHFFFAOYSA-N 1 0 237.325 -1.267 20 0 BAADRO CCN(CC[NH3+])C(=O)CN1C(=O)CN(C)C1=O ZINC000638521929 352355875 /nfs/dbraw/zinc/35/58/75/352355875.db2.gz KYLWLXBJQPTRQR-UHFFFAOYSA-N 1 0 242.279 -1.312 20 0 BAADRO CCN(CC[NH3+])C(=O)CN1CCNCC1=O ZINC000638522146 352356010 /nfs/dbraw/zinc/35/60/10/352356010.db2.gz ADCUKNDDBKKEBD-UHFFFAOYSA-N 1 0 228.296 -1.775 20 0 BAADRO CC1(C(=O)N[C@H]2C[C@H](C(N)=O)C2)C[NH2+]C1 ZINC000638540883 398123711 /nfs/dbraw/zinc/12/37/11/398123711.db2.gz BHPINFGIPFBTPB-LJGSYFOKSA-N 1 0 211.265 -1.024 20 0 BAADRO NC(=O)[C@H]1C[C@H](NC(=O)CCOC2C[NH2+]C2)C1 ZINC000638541158 385814887 /nfs/dbraw/zinc/81/48/87/385814887.db2.gz FADBBRBNKYSKEM-ZKCHVHJHSA-N 1 0 241.291 -1.255 20 0 BAADRO C[C@@]1(C(=O)N[C@H]2C[C@H](C(N)=O)C2)C[NH2+]CCO1 ZINC000638541475 385828901 /nfs/dbraw/zinc/82/89/01/385828901.db2.gz HLFVLMVQPVBNMG-LAEOZQHASA-N 1 0 241.291 -1.255 20 0 BAADRO C[C@]1(C(=O)N[C@H]2C[C@H](C(N)=O)C2)C[NH2+]CCO1 ZINC000638541476 385829651 /nfs/dbraw/zinc/82/96/51/385829651.db2.gz HLFVLMVQPVBNMG-SOCHQFKDSA-N 1 0 241.291 -1.255 20 0 BAADRO NC(=O)[C@H]1C[C@H](NC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000638541551 385829843 /nfs/dbraw/zinc/82/98/43/385829843.db2.gz IYPARDUQJZMEJV-BWZBUEFSSA-N 1 0 227.264 -1.645 20 0 BAADRO NC(=O)[C@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000638541552 385830063 /nfs/dbraw/zinc/83/00/63/385830063.db2.gz IYPARDUQJZMEJV-FXQIFTODSA-N 1 0 227.264 -1.645 20 0 BAADRO COCC[NH2+]CC(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000638541988 352372079 /nfs/dbraw/zinc/37/20/79/352372079.db2.gz MHQUJTZHTYOAQW-ZKCHVHJHSA-N 1 0 229.280 -1.398 20 0 BAADRO NC(=O)[C@H]1C[C@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000638542189 352373050 /nfs/dbraw/zinc/37/30/50/352373050.db2.gz PDZXUQGRSQFDAG-KYZUINATSA-N 1 0 240.307 -1.728 20 0 BAADRO NC(=O)[C@H]1C[C@H](NC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000638542208 352372956 /nfs/dbraw/zinc/37/29/56/352372956.db2.gz POTKXZIKYFXHOL-CIUDSAMLSA-N 1 0 241.291 -1.255 20 0 BAADRO NC(=O)[C@H]1C[C@H](NC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000638542210 352372984 /nfs/dbraw/zinc/37/29/84/352372984.db2.gz POTKXZIKYFXHOL-IWSPIJDZSA-N 1 0 241.291 -1.255 20 0 BAADRO CC1(OCC(=O)N[C@H]2C[C@H](C(N)=O)C2)C[NH2+]C1 ZINC000638542339 352373025 /nfs/dbraw/zinc/37/30/25/352373025.db2.gz SSFBWBPFWIUOCV-ZKCHVHJHSA-N 1 0 241.291 -1.255 20 0 BAADRO NC(=O)[C@H]1C[C@H](NC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000638542440 352372876 /nfs/dbraw/zinc/37/28/76/352372876.db2.gz XDZSXTCMJYBUHQ-CIUDSAMLSA-N 1 0 241.291 -1.255 20 0 BAADRO NC(=O)[C@H]1C[C@H](NC(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000638542441 352372827 /nfs/dbraw/zinc/37/28/27/352372827.db2.gz XDZSXTCMJYBUHQ-IWSPIJDZSA-N 1 0 241.291 -1.255 20 0 BAADRO NC(=O)[C@H]1C[C@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000638542461 352372999 /nfs/dbraw/zinc/37/29/99/352372999.db2.gz XRPJFLORYZGYOA-ABRCCRIRSA-N 1 0 223.276 -1.168 20 0 BAADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Cn1cnnn1 ZINC000638567272 352394657 /nfs/dbraw/zinc/39/46/57/352394657.db2.gz LQIRRGDNFPQVMX-JGVFFNPUSA-N 1 0 224.268 -1.070 20 0 BAADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CS(=O)(=O)NC ZINC000638570359 385971359 /nfs/dbraw/zinc/97/13/59/385971359.db2.gz YWXXHDAHGQQDKI-JGVFFNPUSA-N 1 0 249.336 -1.208 20 0 BAADRO C[NH2+]CCOCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC000638574591 352404937 /nfs/dbraw/zinc/40/49/37/352404937.db2.gz FCCAVTMTTUASQD-MRVPVSSYSA-N 1 0 244.295 -1.638 20 0 BAADRO C[NH2+]CCOCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000638574592 352404798 /nfs/dbraw/zinc/40/47/98/352404798.db2.gz FCCAVTMTTUASQD-QMMMGPOBSA-N 1 0 244.295 -1.638 20 0 BAADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Cn1cnc(N)n1 ZINC000638576955 411884300 /nfs/dbraw/zinc/88/43/00/411884300.db2.gz SZQZJOPQBCUINP-JGVFFNPUSA-N 1 0 238.295 -0.883 20 0 BAADRO CCNC(=O)CC(=O)NCCOCC[NH2+]C ZINC000638577957 352406823 /nfs/dbraw/zinc/40/68/23/352406823.db2.gz XKDLTKNMWRXKOI-UHFFFAOYSA-N 1 0 231.296 -1.135 20 0 BAADRO C[NH2+]CCOCCNC(=O)C1(C(N)=O)CCC1 ZINC000638578436 352408979 /nfs/dbraw/zinc/40/89/79/352408979.db2.gz BMHNDLBSAMISFP-UHFFFAOYSA-N 1 0 243.307 -1.006 20 0 BAADRO C[NH2+]CCOCCNC(=O)CN1CCOCC1 ZINC000638579698 352410739 /nfs/dbraw/zinc/41/07/39/352410739.db2.gz VWXMEOCNYUQZRW-UHFFFAOYSA-N 1 0 245.323 -1.329 20 0 BAADRO C[NH2+]CCOCCNC(=O)CN1CCCC1=O ZINC000638580457 352411413 /nfs/dbraw/zinc/41/14/13/352411413.db2.gz BANRCILPPKWGAS-UHFFFAOYSA-N 1 0 243.307 -1.039 20 0 BAADRO C[NH2+]CCOCCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC000638581504 352412303 /nfs/dbraw/zinc/41/23/03/352412303.db2.gz LDGVVCPXHXPAOZ-SECBINFHSA-N 1 0 243.307 -1.183 20 0 BAADRO C[NH2+]CCOCCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC000638581505 352412067 /nfs/dbraw/zinc/41/20/67/352412067.db2.gz LDGVVCPXHXPAOZ-VIFPVBQESA-N 1 0 243.307 -1.183 20 0 BAADRO C[NH2+]CCOCCNC(=O)CNC(=O)C1CC1 ZINC000638582006 352412921 /nfs/dbraw/zinc/41/29/21/352412921.db2.gz QEEXMJYVYBUTQL-UHFFFAOYSA-N 1 0 243.307 -1.135 20 0 BAADRO C[NH2+]CCOCCN(C)C(=O)CNC(C)=O ZINC000638586152 352415988 /nfs/dbraw/zinc/41/59/88/352415988.db2.gz IUTBWTQGXPNSNP-UHFFFAOYSA-N 1 0 231.296 -1.183 20 0 BAADRO C[NH2+]CCOCCN(C)C(=O)Cn1cnnn1 ZINC000638586261 411478630 /nfs/dbraw/zinc/47/86/30/411478630.db2.gz NFCAUIVAXRTLSQ-UHFFFAOYSA-N 1 0 242.283 -1.633 20 0 BAADRO C[NH2+]CCOCCN(C)C(=O)Cn1cncn1 ZINC000638589411 352420883 /nfs/dbraw/zinc/42/08/83/352420883.db2.gz UOPRICZQEOOGDE-UHFFFAOYSA-N 1 0 241.295 -1.028 20 0 BAADRO C[NH2+]CCOCCN(C)C(=O)C1(C(N)=O)CC1 ZINC000638589516 352420801 /nfs/dbraw/zinc/42/08/01/352420801.db2.gz URPHVBCNEMLNNB-UHFFFAOYSA-N 1 0 243.307 -1.054 20 0 BAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)NC1CC1 ZINC000638590514 352420196 /nfs/dbraw/zinc/42/01/96/352420196.db2.gz YDAQWUUSILXMEI-UHFFFAOYSA-N 1 0 243.307 -1.041 20 0 BAADRO CNC(=O)CC(=O)N(C)CCOCC[NH2+]C ZINC000638591624 352421973 /nfs/dbraw/zinc/42/19/73/352421973.db2.gz JIFWYUDPGHVJPZ-UHFFFAOYSA-N 1 0 231.296 -1.183 20 0 BAADRO CCOC[C@H]1CN(C(=O)C2(O)C[NH2+]C2)CCO1 ZINC000638605413 352441217 /nfs/dbraw/zinc/44/12/17/352441217.db2.gz MVVLFDQXDOAXQZ-SECBINFHSA-N 1 0 244.291 -1.415 20 0 BAADRO CCOC[C@@H]1CN(C(=O)C2(O)C[NH2+]C2)CCO1 ZINC000638605414 352440822 /nfs/dbraw/zinc/44/08/22/352440822.db2.gz MVVLFDQXDOAXQZ-VIFPVBQESA-N 1 0 244.291 -1.415 20 0 BAADRO CN1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH2+]1 ZINC000638608827 352446175 /nfs/dbraw/zinc/44/61/75/352446175.db2.gz CCEHBMDOHLULPR-DTWKUNHWSA-N 1 0 213.281 -1.205 20 0 BAADRO CN1CCOC[C@H]1CNC(=O)[C@H]1CC[NH2+]1 ZINC000638608829 352446253 /nfs/dbraw/zinc/44/62/53/352446253.db2.gz CCEHBMDOHLULPR-RKDXNWHRSA-N 1 0 213.281 -1.205 20 0 BAADRO C[C@@H]([NH3+])C(=O)NC[C@@H]1COCCN1C ZINC000638608924 352445904 /nfs/dbraw/zinc/44/59/04/352445904.db2.gz DAKNWYABFORPCQ-HTQZYQBOSA-N 1 0 201.270 -1.220 20 0 BAADRO C[C@H]([NH3+])C(=O)NC[C@@H]1COCCN1C ZINC000638608926 352445879 /nfs/dbraw/zinc/44/58/79/352445879.db2.gz DAKNWYABFORPCQ-JGVFFNPUSA-N 1 0 201.270 -1.220 20 0 BAADRO C[C@@H]([NH3+])C(=O)NC[C@H]1COCCN1C ZINC000638608927 352446272 /nfs/dbraw/zinc/44/62/72/352446272.db2.gz DAKNWYABFORPCQ-SFYZADRCSA-N 1 0 201.270 -1.220 20 0 BAADRO C[C@H]([NH3+])C(=O)NC[C@H]1COCCN1C ZINC000638608931 352446288 /nfs/dbraw/zinc/44/62/88/352446288.db2.gz DAKNWYABFORPCQ-YUMQZZPRSA-N 1 0 201.270 -1.220 20 0 BAADRO CO[C@@H](C[NH3+])CC(=O)NC[C@@H]1COCCN1C ZINC000638610111 352448553 /nfs/dbraw/zinc/44/85/53/352448553.db2.gz IORAAHUPMCDAHG-NXEZZACHSA-N 1 0 245.323 -1.203 20 0 BAADRO CO[C@H](C[NH3+])CC(=O)NC[C@H]1COCCN1C ZINC000638610112 352448429 /nfs/dbraw/zinc/44/84/29/352448429.db2.gz IORAAHUPMCDAHG-UWVGGRQHSA-N 1 0 245.323 -1.203 20 0 BAADRO CO[C@@H](C[NH3+])CC(=O)NC[C@H]1COCCN1C ZINC000638610114 352448711 /nfs/dbraw/zinc/44/87/11/352448711.db2.gz IORAAHUPMCDAHG-VHSXEESVSA-N 1 0 245.323 -1.203 20 0 BAADRO CO[C@H](C[NH3+])CC(=O)NC[C@@H]1COCCN1C ZINC000638610115 352448691 /nfs/dbraw/zinc/44/86/91/352448691.db2.gz IORAAHUPMCDAHG-ZJUUUORDSA-N 1 0 245.323 -1.203 20 0 BAADRO CN1CCOC[C@H]1CNC(=O)C1(O)C[NH2+]C1 ZINC000638611249 352449247 /nfs/dbraw/zinc/44/92/47/352449247.db2.gz NFKARMIXKULVIV-MRVPVSSYSA-N 1 0 229.280 -2.233 20 0 BAADRO CN1CCOC[C@@H]1CNC(=O)C1(O)C[NH2+]C1 ZINC000638611254 352449209 /nfs/dbraw/zinc/44/92/09/352449209.db2.gz NFKARMIXKULVIV-QMMMGPOBSA-N 1 0 229.280 -2.233 20 0 BAADRO CN1CCOC[C@@H]1CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000638611709 352451364 /nfs/dbraw/zinc/45/13/64/352451364.db2.gz PRCXOWDSHDPCPD-UKKRHICBSA-N 1 0 239.319 -1.101 20 0 BAADRO CN1CCOC[C@H]1CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000638611712 352451404 /nfs/dbraw/zinc/45/14/04/352451404.db2.gz PRCXOWDSHDPCPD-ZNSHCXBVSA-N 1 0 239.319 -1.101 20 0 BAADRO CN1CCOC[C@H]1CNC(=O)COCC[NH3+] ZINC000638611755 352451140 /nfs/dbraw/zinc/45/11/40/352451140.db2.gz QBCYKXJIIZFODE-SECBINFHSA-N 1 0 231.296 -1.592 20 0 BAADRO CN1CCOC[C@@H]1CNC(=O)COCC[NH3+] ZINC000638611757 352450850 /nfs/dbraw/zinc/45/08/50/352450850.db2.gz QBCYKXJIIZFODE-VIFPVBQESA-N 1 0 231.296 -1.592 20 0 BAADRO O=C(NC[C@@H]1COCC[NH2+]1)c1cc(=O)[nH]cn1 ZINC000638612107 352451457 /nfs/dbraw/zinc/45/14/57/352451457.db2.gz MAFFIYVQHQNMMA-SSDOTTSWSA-N 1 0 238.247 -1.100 20 0 BAADRO O=C(NC[C@H]1COCC[NH2+]1)c1cc(=O)[nH]cn1 ZINC000638612112 352450798 /nfs/dbraw/zinc/45/07/98/352450798.db2.gz MAFFIYVQHQNMMA-ZETCQYMHSA-N 1 0 238.247 -1.100 20 0 BAADRO CN1C[C@H](C(=O)NC[C@@H]2COCC[NH2+]2)NC1=O ZINC000638612492 352450086 /nfs/dbraw/zinc/45/00/86/352450086.db2.gz CCKNIDXLMMONRY-HTQZYQBOSA-N 1 0 242.279 -1.885 20 0 BAADRO CN1C[C@H](C(=O)NC[C@H]2COCC[NH2+]2)NC1=O ZINC000638612493 352450433 /nfs/dbraw/zinc/45/04/33/352450433.db2.gz CCKNIDXLMMONRY-JGVFFNPUSA-N 1 0 242.279 -1.885 20 0 BAADRO CN1C[C@@H](C(=O)NC[C@@H]2COCC[NH2+]2)NC1=O ZINC000638612494 352450199 /nfs/dbraw/zinc/45/01/99/352450199.db2.gz CCKNIDXLMMONRY-SFYZADRCSA-N 1 0 242.279 -1.885 20 0 BAADRO CN1C[C@@H](C(=O)NC[C@H]2COCC[NH2+]2)NC1=O ZINC000638612495 352450460 /nfs/dbraw/zinc/45/04/60/352450460.db2.gz CCKNIDXLMMONRY-YUMQZZPRSA-N 1 0 242.279 -1.885 20 0 BAADRO CN1CCOC[C@H]1CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638612974 352449959 /nfs/dbraw/zinc/44/99/59/352449959.db2.gz YXRHGDZQKUIRFW-KXUCPTDWSA-N 1 0 243.307 -1.451 20 0 BAADRO CN1CCOC[C@@H]1CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638612975 352450116 /nfs/dbraw/zinc/45/01/16/352450116.db2.gz YXRHGDZQKUIRFW-LPEHRKFASA-N 1 0 243.307 -1.451 20 0 BAADRO O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1CSCN1 ZINC000638616251 352456728 /nfs/dbraw/zinc/45/67/28/352456728.db2.gz PNRDQFULOYSKET-HTQZYQBOSA-N 1 0 231.321 -1.247 20 0 BAADRO O=C(NC[C@H]1COCC[NH2+]1)[C@H]1CSCN1 ZINC000638616252 352456861 /nfs/dbraw/zinc/45/68/61/352456861.db2.gz PNRDQFULOYSKET-JGVFFNPUSA-N 1 0 231.321 -1.247 20 0 BAADRO O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1CSCN1 ZINC000638616253 352456534 /nfs/dbraw/zinc/45/65/34/352456534.db2.gz PNRDQFULOYSKET-SFYZADRCSA-N 1 0 231.321 -1.247 20 0 BAADRO O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1CSCN1 ZINC000638616258 352456886 /nfs/dbraw/zinc/45/68/86/352456886.db2.gz PNRDQFULOYSKET-YUMQZZPRSA-N 1 0 231.321 -1.247 20 0 BAADRO N[C@H](C(=O)NC[C@H]1COCC[NH2+]1)C(F)(F)F ZINC000638616389 352456311 /nfs/dbraw/zinc/45/63/11/352456311.db2.gz QQRHOZUTCWBHDQ-NTSWFWBYSA-N 1 0 241.213 -1.019 20 0 BAADRO N[C@H](C(=O)NC[C@@H]1COCC[NH2+]1)C(F)(F)F ZINC000638616390 352456696 /nfs/dbraw/zinc/45/66/96/352456696.db2.gz QQRHOZUTCWBHDQ-PHDIDXHHSA-N 1 0 241.213 -1.019 20 0 BAADRO N[C@@H](C(=O)NC[C@@H]1COCC[NH2+]1)C(F)(F)F ZINC000638616391 352456255 /nfs/dbraw/zinc/45/62/55/352456255.db2.gz QQRHOZUTCWBHDQ-RITPCOANSA-N 1 0 241.213 -1.019 20 0 BAADRO N[C@@H](C(=O)NC[C@H]1COCC[NH2+]1)C(F)(F)F ZINC000638616392 352456204 /nfs/dbraw/zinc/45/62/04/352456204.db2.gz QQRHOZUTCWBHDQ-WDSKDSINSA-N 1 0 241.213 -1.019 20 0 BAADRO O=C(CN1CCOCC1)NC[C@H]1COCC[NH2+]1 ZINC000638616619 352456159 /nfs/dbraw/zinc/45/61/59/352456159.db2.gz SDKFTXLVEISDHL-JTQLQIEISA-N 1 0 243.307 -1.577 20 0 BAADRO O=C(CN1CCOCC1)NC[C@@H]1COCC[NH2+]1 ZINC000638616620 352456429 /nfs/dbraw/zinc/45/64/29/352456429.db2.gz SDKFTXLVEISDHL-SNVBAGLBSA-N 1 0 243.307 -1.577 20 0 BAADRO CN1C[C@H](C(=O)NC[C@H]2COCC[NH2+]2)CC1=O ZINC000638622458 352460660 /nfs/dbraw/zinc/46/06/60/352460660.db2.gz YIVBIVAJPCQDKP-BDAKNGLRSA-N 1 0 241.291 -1.431 20 0 BAADRO CN1C[C@@H](C(=O)NC[C@@H]2COCC[NH2+]2)CC1=O ZINC000638622459 352460821 /nfs/dbraw/zinc/46/08/21/352460821.db2.gz YIVBIVAJPCQDKP-DTWKUNHWSA-N 1 0 241.291 -1.431 20 0 BAADRO CN1C[C@@H](C(=O)NC[C@H]2COCC[NH2+]2)CC1=O ZINC000638622460 352460626 /nfs/dbraw/zinc/46/06/26/352460626.db2.gz YIVBIVAJPCQDKP-IUCAKERBSA-N 1 0 241.291 -1.431 20 0 BAADRO CN1C[C@H](C(=O)NC[C@@H]2COCC[NH2+]2)CC1=O ZINC000638622461 352461081 /nfs/dbraw/zinc/46/10/81/352461081.db2.gz YIVBIVAJPCQDKP-RKDXNWHRSA-N 1 0 241.291 -1.431 20 0 BAADRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)CNC(=O)C[NH3+] ZINC000638631137 352473926 /nfs/dbraw/zinc/47/39/26/352473926.db2.gz VHDTYARRVGPNIL-FBSDJGSXSA-N 1 0 243.307 -1.011 20 0 BAADRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)CNC(=O)C[NH3+] ZINC000638631140 352473845 /nfs/dbraw/zinc/47/38/45/352473845.db2.gz VHDTYARRVGPNIL-LITAXDCLSA-N 1 0 243.307 -1.011 20 0 BAADRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)CNC(=O)C[NH3+] ZINC000638631145 352474031 /nfs/dbraw/zinc/47/40/31/352474031.db2.gz VHDTYARRVGPNIL-SDCKUUTBSA-N 1 0 243.307 -1.011 20 0 BAADRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)CNC(=O)C[NH3+] ZINC000638631148 352473664 /nfs/dbraw/zinc/47/36/64/352473664.db2.gz VHDTYARRVGPNIL-UVMAFCGOSA-N 1 0 243.307 -1.011 20 0 BAADRO C[C@@H]1CC[C@@H](NC(=O)Cn2cnc(N)n2)C[NH2+]1 ZINC000638640021 411907295 /nfs/dbraw/zinc/90/72/95/411907295.db2.gz OTZQGYXAEMNRSD-HTQZYQBOSA-N 1 0 238.295 -0.883 20 0 BAADRO C[C@H]1CC[C@@H](NC(=O)Cn2cnc(N)n2)C[NH2+]1 ZINC000638640022 487795002 /nfs/dbraw/zinc/79/50/02/487795002.db2.gz OTZQGYXAEMNRSD-JGVFFNPUSA-N 1 0 238.295 -0.883 20 0 BAADRO C[C@@H]1CC[C@H](NC(=O)Cn2cnc(N)n2)C[NH2+]1 ZINC000638640023 411906724 /nfs/dbraw/zinc/90/67/24/411906724.db2.gz OTZQGYXAEMNRSD-SFYZADRCSA-N 1 0 238.295 -0.883 20 0 BAADRO C[C@H]1CC[C@H](NC(=O)Cn2cnc(N)n2)C[NH2+]1 ZINC000638640025 411929946 /nfs/dbraw/zinc/92/99/46/411929946.db2.gz OTZQGYXAEMNRSD-YUMQZZPRSA-N 1 0 238.295 -0.883 20 0 BAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638651640 352493450 /nfs/dbraw/zinc/49/34/50/352493450.db2.gz YMIHCYMEQOJJHZ-HTQZYQBOSA-N 1 0 249.336 -1.208 20 0 BAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638651641 352493546 /nfs/dbraw/zinc/49/35/46/352493546.db2.gz YMIHCYMEQOJJHZ-JGVFFNPUSA-N 1 0 249.336 -1.208 20 0 BAADRO CNS(=O)(=O)CC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638651642 352493412 /nfs/dbraw/zinc/49/34/12/352493412.db2.gz YMIHCYMEQOJJHZ-SFYZADRCSA-N 1 0 249.336 -1.208 20 0 BAADRO CNS(=O)(=O)CC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638651644 352493231 /nfs/dbraw/zinc/49/32/31/352493231.db2.gz YMIHCYMEQOJJHZ-YUMQZZPRSA-N 1 0 249.336 -1.208 20 0 BAADRO C[C@@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[NH2+]1 ZINC000638657108 352498062 /nfs/dbraw/zinc/49/80/62/352498062.db2.gz VOJGHUASLFRAHF-HTQZYQBOSA-N 1 0 224.268 -1.070 20 0 BAADRO C[C@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[NH2+]1 ZINC000638657112 352497952 /nfs/dbraw/zinc/49/79/52/352497952.db2.gz VOJGHUASLFRAHF-JGVFFNPUSA-N 1 0 224.268 -1.070 20 0 BAADRO C[C@@H]1CC[C@H](NC(=O)Cn2cnnn2)C[NH2+]1 ZINC000638657116 352498034 /nfs/dbraw/zinc/49/80/34/352498034.db2.gz VOJGHUASLFRAHF-SFYZADRCSA-N 1 0 224.268 -1.070 20 0 BAADRO C[C@H]1CC[C@H](NC(=O)Cn2cnnn2)C[NH2+]1 ZINC000638657119 352497947 /nfs/dbraw/zinc/49/79/47/352497947.db2.gz VOJGHUASLFRAHF-YUMQZZPRSA-N 1 0 224.268 -1.070 20 0 BAADRO [NH3+]CCCOCCNC(=O)[C@H]1COCCO1 ZINC000638657462 352497916 /nfs/dbraw/zinc/49/79/16/352497916.db2.gz PRLGWXDRRYIKGK-SECBINFHSA-N 1 0 232.280 -1.117 20 0 BAADRO [NH3+]CCCOCCNC(=O)[C@@H]1COCCO1 ZINC000638657466 352497887 /nfs/dbraw/zinc/49/78/87/352497887.db2.gz PRLGWXDRRYIKGK-VIFPVBQESA-N 1 0 232.280 -1.117 20 0 BAADRO [NH3+]CCCOCCNC(=O)CNC(=O)C1CC1 ZINC000638658219 352499055 /nfs/dbraw/zinc/49/90/55/352499055.db2.gz SWWVOTZAOKWQED-UHFFFAOYSA-N 1 0 243.307 -1.006 20 0 BAADRO CN1C[C@H](C(=O)NCCOCCC[NH3+])CC1=O ZINC000638658595 352499369 /nfs/dbraw/zinc/49/93/69/352499369.db2.gz YMQIHGJGDMNHAR-SECBINFHSA-N 1 0 243.307 -1.054 20 0 BAADRO CN1C[C@@H](C(=O)NCCOCCC[NH3+])CC1=O ZINC000638658597 352499138 /nfs/dbraw/zinc/49/91/38/352499138.db2.gz YMQIHGJGDMNHAR-VIFPVBQESA-N 1 0 243.307 -1.054 20 0 BAADRO CCNC(=O)CC(=O)NCCOCCC[NH3+] ZINC000638661522 352504459 /nfs/dbraw/zinc/50/44/59/352504459.db2.gz AAXICDTUCYZSSR-UHFFFAOYSA-N 1 0 231.296 -1.006 20 0 BAADRO [NH3+]CCCOCCNC(=O)CN1CCOCC1 ZINC000638662743 352505268 /nfs/dbraw/zinc/50/52/68/352505268.db2.gz FGRSGPWIAXDRJY-UHFFFAOYSA-N 1 0 245.323 -1.200 20 0 BAADRO CN1C[C@H](C(=O)NCCOCCC[NH3+])NC1=O ZINC000638663520 352507876 /nfs/dbraw/zinc/50/78/76/352507876.db2.gz NBHNHXZRBYDXAP-MRVPVSSYSA-N 1 0 244.295 -1.508 20 0 BAADRO CN1C[C@@H](C(=O)NCCOCCC[NH3+])NC1=O ZINC000638663521 352507729 /nfs/dbraw/zinc/50/77/29/352507729.db2.gz NBHNHXZRBYDXAP-QMMMGPOBSA-N 1 0 244.295 -1.508 20 0 BAADRO [NH3+]CCCOCCNC(=O)CCOC1C[NH2+]C1 ZINC000638663582 352507758 /nfs/dbraw/zinc/50/77/58/352507758.db2.gz PLMAOGDSHFCVRX-UHFFFAOYSA-N 1 0 245.323 -1.154 20 0 BAADRO CN(CCOCC[NH3+])C(=O)[C@H]1CN(C)C(=O)N1 ZINC000638670224 352511170 /nfs/dbraw/zinc/51/11/70/352511170.db2.gz JUYFQOFQZZEPGK-MRVPVSSYSA-N 1 0 244.295 -1.556 20 0 BAADRO CN(CCOCC[NH3+])C(=O)[C@@H]1CN(C)C(=O)N1 ZINC000638670226 352510977 /nfs/dbraw/zinc/51/09/77/352510977.db2.gz JUYFQOFQZZEPGK-QMMMGPOBSA-N 1 0 244.295 -1.556 20 0 BAADRO CN(CCOCC[NH3+])C(=O)[C@]1(C)CCNC1=O ZINC000638674660 352514019 /nfs/dbraw/zinc/51/40/19/352514019.db2.gz XOZWERKYXXXYRN-LLVKDONJSA-N 1 0 243.307 -1.054 20 0 BAADRO CN(CCOCC[NH3+])C(=O)[C@@]1(C)CCNC1=O ZINC000638674661 352514226 /nfs/dbraw/zinc/51/42/26/352514226.db2.gz XOZWERKYXXXYRN-NSHDSACASA-N 1 0 243.307 -1.054 20 0 BAADRO CCNC(=O)CC(=O)N(C)CCOCC[NH3+] ZINC000638675082 352513934 /nfs/dbraw/zinc/51/39/34/352513934.db2.gz RPOWBTNWZRVVCV-UHFFFAOYSA-N 1 0 231.296 -1.054 20 0 BAADRO CN(CCOCC[NH3+])C(=O)CN1CCOCC1 ZINC000638675290 352514708 /nfs/dbraw/zinc/51/47/08/352514708.db2.gz SULISHVFLMZTCM-UHFFFAOYSA-N 1 0 245.323 -1.248 20 0 BAADRO CN(CCOCC[NH3+])C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000638677517 352516625 /nfs/dbraw/zinc/51/66/25/352516625.db2.gz GGENPRXGVDXFPL-SECBINFHSA-N 1 0 243.307 -1.102 20 0 BAADRO CN(CCOCC[NH3+])C(=O)[C@H]1CC(=O)N(C)C1 ZINC000638677519 352516928 /nfs/dbraw/zinc/51/69/28/352516928.db2.gz GGENPRXGVDXFPL-VIFPVBQESA-N 1 0 243.307 -1.102 20 0 BAADRO CN(CCOCC[NH3+])C(=O)CNC(=O)C1CC1 ZINC000638677760 352517008 /nfs/dbraw/zinc/51/70/08/352517008.db2.gz IZBALGQIOCXIJT-UHFFFAOYSA-N 1 0 243.307 -1.054 20 0 BAADRO CC(=O)N(C)CC(=O)N(C)CCOCC[NH3+] ZINC000638678321 352516955 /nfs/dbraw/zinc/51/69/55/352516955.db2.gz MGCGIZKRVMXJNH-UHFFFAOYSA-N 1 0 231.296 -1.102 20 0 BAADRO CN(CCOCC[NH3+])C(=O)Cn1cnnn1 ZINC000638680414 352518960 /nfs/dbraw/zinc/51/89/60/352518960.db2.gz PMCXRRQQEIWAPE-UHFFFAOYSA-N 1 0 228.256 -1.893 20 0 BAADRO CC(=O)N[C@H](C)C(=O)N(C)CCOCC[NH3+] ZINC000638680425 352519160 /nfs/dbraw/zinc/51/91/60/352519160.db2.gz QFADBDWBDBFCIB-MRVPVSSYSA-N 1 0 231.296 -1.055 20 0 BAADRO CC(=O)N[C@@H](C)C(=O)N(C)CCOCC[NH3+] ZINC000638680426 352519153 /nfs/dbraw/zinc/51/91/53/352519153.db2.gz QFADBDWBDBFCIB-QMMMGPOBSA-N 1 0 231.296 -1.055 20 0 BAADRO O=C(N1CCO[C@H](CCF)C1)C1(O)C[NH2+]C1 ZINC000638682853 352520267 /nfs/dbraw/zinc/52/02/67/352520267.db2.gz APYAYXJTFXHIIZ-MRVPVSSYSA-N 1 0 232.255 -1.092 20 0 BAADRO O=C(N1CCO[C@@H](CCF)C1)C1(O)C[NH2+]C1 ZINC000638682854 352520180 /nfs/dbraw/zinc/52/01/80/352520180.db2.gz APYAYXJTFXHIIZ-QMMMGPOBSA-N 1 0 232.255 -1.092 20 0 BAADRO CN(C(=O)C1(O)C[NH2+]C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000638696719 352535228 /nfs/dbraw/zinc/53/52/28/352535228.db2.gz DJEYZIRZPDJGEI-KNVOCYPGSA-N 1 0 227.264 -1.957 20 0 BAADRO CN(C(=O)[C@@H]1OCC[C@@H]1[NH3+])[C@H]1C[C@@H](C(N)=O)C1 ZINC000638698075 352536737 /nfs/dbraw/zinc/53/67/37/352536737.db2.gz LLHZDVNCPNAWRM-UYXSQOIJSA-N 1 0 241.291 -1.175 20 0 BAADRO COCC[NH2+]CC(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000638699045 352537665 /nfs/dbraw/zinc/53/76/65/352537665.db2.gz QZPWSVJTLDZZAY-DTORHVGOSA-N 1 0 243.307 -1.055 20 0 BAADRO CN(C(=O)[C@H]1C[NH2+]CCO1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000638699577 352538588 /nfs/dbraw/zinc/53/85/88/352538588.db2.gz UKSGXXBMJGRDBG-HRDYMLBCSA-N 1 0 241.291 -1.303 20 0 BAADRO CN(C(=O)[C@@H]1C[NH2+]CCO1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000638699578 352538728 /nfs/dbraw/zinc/53/87/28/352538728.db2.gz UKSGXXBMJGRDBG-YIZRAAEISA-N 1 0 241.291 -1.303 20 0 BAADRO CN(C(=O)COCC[NH3+])[C@H]1C[C@@H](C(N)=O)C1 ZINC000638700641 352539257 /nfs/dbraw/zinc/53/92/57/352539257.db2.gz ZTLGNPFRJVHYGC-OCAPTIKFSA-N 1 0 229.280 -1.316 20 0 BAADRO CC1(C(=O)N2CCO[C@H](CC(N)=O)C2)C[NH2+]C1 ZINC000638724062 352578311 /nfs/dbraw/zinc/57/83/11/352578311.db2.gz GOMFQGAGLJDAFA-MRVPVSSYSA-N 1 0 241.291 -1.301 20 0 BAADRO CC1(C(=O)N2CCO[C@@H](CC(N)=O)C2)C[NH2+]C1 ZINC000638724063 352578208 /nfs/dbraw/zinc/57/82/08/352578208.db2.gz GOMFQGAGLJDAFA-QMMMGPOBSA-N 1 0 241.291 -1.301 20 0 BAADRO NC(=O)C[C@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)CCO1 ZINC000638725123 352582248 /nfs/dbraw/zinc/58/22/48/352582248.db2.gz XJXTUHFJCAAHRS-CIUDSAMLSA-N 1 0 241.291 -1.174 20 0 BAADRO NC(=O)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000638725124 352582191 /nfs/dbraw/zinc/58/21/91/352582191.db2.gz XJXTUHFJCAAHRS-HRDYMLBCSA-N 1 0 241.291 -1.174 20 0 BAADRO NC(=O)C[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)CCO1 ZINC000638725125 352582269 /nfs/dbraw/zinc/58/22/69/352582269.db2.gz XJXTUHFJCAAHRS-IWSPIJDZSA-N 1 0 241.291 -1.174 20 0 BAADRO NC(=O)C[C@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000638725126 352582653 /nfs/dbraw/zinc/58/26/53/352582653.db2.gz XJXTUHFJCAAHRS-YIZRAAEISA-N 1 0 241.291 -1.174 20 0 BAADRO NC(=O)C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CCO1 ZINC000638726331 352584053 /nfs/dbraw/zinc/58/40/53/352584053.db2.gz NENIYBUIYVRAIJ-BDAKNGLRSA-N 1 0 241.291 -1.159 20 0 BAADRO NC(=O)C[C@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CCO1 ZINC000638726332 352583639 /nfs/dbraw/zinc/58/36/39/352583639.db2.gz NENIYBUIYVRAIJ-DTWKUNHWSA-N 1 0 241.291 -1.159 20 0 BAADRO NC(=O)C[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CCO1 ZINC000638726333 352583651 /nfs/dbraw/zinc/58/36/51/352583651.db2.gz NENIYBUIYVRAIJ-IUCAKERBSA-N 1 0 241.291 -1.159 20 0 BAADRO NC(=O)C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CCO1 ZINC000638726334 352583500 /nfs/dbraw/zinc/58/35/00/352583500.db2.gz NENIYBUIYVRAIJ-RKDXNWHRSA-N 1 0 241.291 -1.159 20 0 BAADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(N)=O)C2 ZINC000638732721 411494904 /nfs/dbraw/zinc/49/49/04/411494904.db2.gz QFYZQGMCBLFYSM-AOOOYVTPSA-N 1 0 211.265 -1.070 20 0 BAADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C1CS(=O)(=O)C1 ZINC000638765744 352705533 /nfs/dbraw/zinc/70/55/33/352705533.db2.gz LWCDCSYWTDEINB-POYBYMJQSA-N 1 0 232.305 -1.102 20 0 BAADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Cn1ncn(C)c1=O ZINC000638767447 352707328 /nfs/dbraw/zinc/70/73/28/352707328.db2.gz LIDUFKUSQNJBHV-JGVFFNPUSA-N 1 0 239.279 -1.552 20 0 BAADRO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638767521 352707390 /nfs/dbraw/zinc/70/73/90/352707390.db2.gz FKLIWQOBPDTPGC-JGVFFNPUSA-N 1 0 249.336 -1.208 20 0 BAADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)CS(=O)(=O)N(C)C ZINC000638767702 352707981 /nfs/dbraw/zinc/70/79/81/352707981.db2.gz POWVAIIRYQBQFK-JGVFFNPUSA-N 1 0 249.336 -1.256 20 0 BAADRO COCC(=O)N(C)CC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638767961 352708154 /nfs/dbraw/zinc/70/81/54/352708154.db2.gz NOAYLJMUSBDERW-DTWKUNHWSA-N 1 0 243.307 -1.042 20 0 BAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638770069 352713106 /nfs/dbraw/zinc/71/31/06/352713106.db2.gz DBGGCMANJGFIHC-NKWVEPMBSA-N 1 0 235.309 -1.598 20 0 BAADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)CN(C)S(C)(=O)=O ZINC000638771622 352713025 /nfs/dbraw/zinc/71/30/25/352713025.db2.gz QPAWMNIQAZUZQR-JGVFFNPUSA-N 1 0 249.336 -1.256 20 0 BAADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)CCNS(C)(=O)=O ZINC000638771722 352713386 /nfs/dbraw/zinc/71/33/86/352713386.db2.gz SZNZGSKRARNLBG-JGVFFNPUSA-N 1 0 249.336 -1.208 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638772095 352713371 /nfs/dbraw/zinc/71/33/71/352713371.db2.gz YXVJBYGNEBTCIG-BIIVOSGPSA-N 1 0 249.336 -1.209 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638772096 352713411 /nfs/dbraw/zinc/71/34/11/352713411.db2.gz YXVJBYGNEBTCIG-XLPZGREQSA-N 1 0 249.336 -1.209 20 0 BAADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000638773752 352719756 /nfs/dbraw/zinc/71/97/56/352719756.db2.gz PATRXIJUUJDBJY-RNJXMRFFSA-N 1 0 226.280 -1.123 20 0 BAADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CN(C)C(=O)N1 ZINC000638773753 352719530 /nfs/dbraw/zinc/71/95/30/352719530.db2.gz PATRXIJUUJDBJY-XLPZGREQSA-N 1 0 226.280 -1.123 20 0 BAADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)CN1CCNCC1=O ZINC000638787654 385964804 /nfs/dbraw/zinc/96/48/04/385964804.db2.gz IYWNQEJJNXCQMW-DTWKUNHWSA-N 1 0 240.307 -1.715 20 0 BAADRO O=C(CN1CCCNC1=O)N[C@@H]1CC[NH2+]C1 ZINC000638789058 352746987 /nfs/dbraw/zinc/74/69/87/352746987.db2.gz GNQOPBPKCVILST-MRVPVSSYSA-N 1 0 226.280 -1.120 20 0 BAADRO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[NH2+]C1 ZINC000638791075 583531434 /nfs/dbraw/zinc/53/14/34/583531434.db2.gz FTDAVVHTARZJLM-SSDOTTSWSA-N 1 0 235.309 -1.596 20 0 BAADRO COCC(=O)N(C)CC(=O)N[C@@H]1CC[NH2+]C1 ZINC000638791149 398191409 /nfs/dbraw/zinc/19/14/09/398191409.db2.gz JOAAQQKPRGAYNS-MRVPVSSYSA-N 1 0 229.280 -1.431 20 0 BAADRO CN(C)S(=O)(=O)CCC(=O)N[C@@H]1CC[NH2+]C1 ZINC000638791649 352754434 /nfs/dbraw/zinc/75/44/34/352754434.db2.gz RNQURDANVQJNON-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO O=C(N[C@@H]1CC[NH2+]C1)c1nc2n(n1)CCCN2 ZINC000638791994 352752955 /nfs/dbraw/zinc/75/29/55/352752955.db2.gz ZIGQGZNAYGOJKE-SSDOTTSWSA-N 1 0 236.279 -1.557 20 0 BAADRO O=C(CN1CCNCC1=O)N[C@@H]1CC[NH2+]C1 ZINC000638792100 352753747 /nfs/dbraw/zinc/75/37/47/352753747.db2.gz LVDNLVSFNWDDGU-MRVPVSSYSA-N 1 0 226.280 -2.104 20 0 BAADRO Cc1nn(CC(=O)N[C@@H]2CC[NH2+]C2)c(=O)n1C ZINC000638792169 352753987 /nfs/dbraw/zinc/75/39/87/352753987.db2.gz AQUWGBJYNSWFET-MRVPVSSYSA-N 1 0 239.279 -1.632 20 0 BAADRO O=C(N[C@@H]1CC[NH2+]C1)C1(n2cnnn2)CC1 ZINC000638792185 352753794 /nfs/dbraw/zinc/75/37/94/352753794.db2.gz BMACWKMZZNXFFT-SSDOTTSWSA-N 1 0 222.252 -1.360 20 0 BAADRO CN1C[C@H](C(=O)N[C@@H]2CC[NH2+]C2)NC1=O ZINC000638792213 352753677 /nfs/dbraw/zinc/75/36/77/352753677.db2.gz DVGVPARZNGHQPQ-RNFRBKRXSA-N 1 0 212.253 -1.512 20 0 BAADRO CN1C[C@@H](C(=O)N[C@@H]2CC[NH2+]C2)NC1=O ZINC000638792214 352753688 /nfs/dbraw/zinc/75/36/88/352753688.db2.gz DVGVPARZNGHQPQ-RQJHMYQMSA-N 1 0 212.253 -1.512 20 0 BAADRO CN(CCNC(=O)C1(O)C[NH2+]C1)CC(F)F ZINC000638794232 352829337 /nfs/dbraw/zinc/82/93/37/352829337.db2.gz BYKAJOGPSLMJLJ-UHFFFAOYSA-N 1 0 237.250 -1.366 20 0 BAADRO CCN1CC[C@@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1=O ZINC000638824438 353005798 /nfs/dbraw/zinc/00/57/98/353005798.db2.gz FTHBQBHUNRADIP-DJLDLDEBSA-N 1 0 241.291 -1.160 20 0 BAADRO CCN1CC[C@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1=O ZINC000638824439 353005910 /nfs/dbraw/zinc/00/59/10/353005910.db2.gz FTHBQBHUNRADIP-XHNCKOQMSA-N 1 0 241.291 -1.160 20 0 BAADRO CCN1CC[C@@H](NC(=O)C2(O)C[NH2+]C2)C1=O ZINC000638824525 353005813 /nfs/dbraw/zinc/00/58/13/353005813.db2.gz GRGXXSIMNFLNBA-SSDOTTSWSA-N 1 0 227.264 -1.942 20 0 BAADRO CCN1CC[C@H](NC(=O)C2(O)C[NH2+]C2)C1=O ZINC000638824529 353006005 /nfs/dbraw/zinc/00/60/05/353006005.db2.gz GRGXXSIMNFLNBA-ZETCQYMHSA-N 1 0 227.264 -1.942 20 0 BAADRO CCN1CC[C@@H](NC(=O)COCC[NH3+])C1=O ZINC000638824665 353005919 /nfs/dbraw/zinc/00/59/19/353005919.db2.gz IQXDNQAOAWLXMB-MRVPVSSYSA-N 1 0 229.280 -1.301 20 0 BAADRO CCN1CC[C@H](NC(=O)COCC[NH3+])C1=O ZINC000638824666 353005933 /nfs/dbraw/zinc/00/59/33/353005933.db2.gz IQXDNQAOAWLXMB-QMMMGPOBSA-N 1 0 229.280 -1.301 20 0 BAADRO CCN1CC[C@@H](NC(=O)[C@@H]2C[NH2+]CCO2)C1=O ZINC000638825453 353006661 /nfs/dbraw/zinc/00/66/61/353006661.db2.gz QSPLLFBACABKOQ-BDAKNGLRSA-N 1 0 241.291 -1.288 20 0 BAADRO CCN1CC[C@H](NC(=O)[C@H]2C[NH2+]CCO2)C1=O ZINC000638825454 353006879 /nfs/dbraw/zinc/00/68/79/353006879.db2.gz QSPLLFBACABKOQ-DTWKUNHWSA-N 1 0 241.291 -1.288 20 0 BAADRO CCN1CC[C@H](NC(=O)[C@@H]2C[NH2+]CCO2)C1=O ZINC000638825455 353006721 /nfs/dbraw/zinc/00/67/21/353006721.db2.gz QSPLLFBACABKOQ-IUCAKERBSA-N 1 0 241.291 -1.288 20 0 BAADRO CCN1CC[C@@H](NC(=O)[C@H]2C[NH2+]CCO2)C1=O ZINC000638825456 353006839 /nfs/dbraw/zinc/00/68/39/353006839.db2.gz QSPLLFBACABKOQ-RKDXNWHRSA-N 1 0 241.291 -1.288 20 0 BAADRO CCN1CC[C@@H](NC(=O)C[NH2+]CCOC)C1=O ZINC000638825542 353006668 /nfs/dbraw/zinc/00/66/68/353006668.db2.gz SQNWVBLJFPVFLE-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO CCN1CC[C@H](NC(=O)C[NH2+]CCOC)C1=O ZINC000638825543 353006785 /nfs/dbraw/zinc/00/67/85/353006785.db2.gz SQNWVBLJFPVFLE-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO C[C@H]([NH3+])C(=O)N1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000638848855 353028980 /nfs/dbraw/zinc/02/89/80/353028980.db2.gz ODJPXYWQLCTYEY-CYUDJLOBSA-N 1 0 239.275 -1.155 20 0 BAADRO C[C@@H]([NH3+])C(=O)N1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000638848856 353028960 /nfs/dbraw/zinc/02/89/60/353028960.db2.gz ODJPXYWQLCTYEY-DADVEIPYSA-N 1 0 239.275 -1.155 20 0 BAADRO C[C@@H]([NH3+])C(=O)N1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000638848857 353029182 /nfs/dbraw/zinc/02/91/82/353029182.db2.gz ODJPXYWQLCTYEY-DIMCTHFVSA-N 1 0 239.275 -1.155 20 0 BAADRO C[C@H]([NH3+])C(=O)N1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000638848858 353028948 /nfs/dbraw/zinc/02/89/48/353028948.db2.gz ODJPXYWQLCTYEY-MQOMDTIOSA-N 1 0 239.275 -1.155 20 0 BAADRO C[C@H]([NH3+])C(=O)N1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000638848859 353029187 /nfs/dbraw/zinc/02/91/87/353029187.db2.gz ODJPXYWQLCTYEY-NRZXQICZSA-N 1 0 239.275 -1.155 20 0 BAADRO C[C@@H]([NH3+])C(=O)N1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000638848860 353029261 /nfs/dbraw/zinc/02/92/61/353029261.db2.gz ODJPXYWQLCTYEY-PFZYVWIYSA-N 1 0 239.275 -1.155 20 0 BAADRO C[C@]12CN(C(=O)CC[NH3+])C[C@]1(C)C(=O)NC2=O ZINC000638849364 353029138 /nfs/dbraw/zinc/02/91/38/353029138.db2.gz UWGVWZGKATXLAX-GHMZBOCLSA-N 1 0 239.275 -1.154 20 0 BAADRO C[C@]12CN(C(=O)CC[NH3+])C[C@@]1(C)C(=O)NC2=O ZINC000638849365 353029140 /nfs/dbraw/zinc/02/91/40/353029140.db2.gz UWGVWZGKATXLAX-PHIMTYICSA-N 1 0 239.275 -1.154 20 0 BAADRO C[C@@]12CN(C(=O)CC[NH3+])C[C@@]1(C)C(=O)NC2=O ZINC000638849366 353029179 /nfs/dbraw/zinc/02/91/79/353029179.db2.gz UWGVWZGKATXLAX-QWRGUYRKSA-N 1 0 239.275 -1.154 20 0 BAADRO C[NH2+]CC(=O)N1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000638849576 353029804 /nfs/dbraw/zinc/02/98/04/353029804.db2.gz WRBIHEIZKUTAMN-GHMZBOCLSA-N 1 0 239.275 -1.283 20 0 BAADRO C[NH2+]CC(=O)N1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000638849577 353029768 /nfs/dbraw/zinc/02/97/68/353029768.db2.gz WRBIHEIZKUTAMN-PHIMTYICSA-N 1 0 239.275 -1.283 20 0 BAADRO C[NH2+]CC(=O)N1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000638849578 353029549 /nfs/dbraw/zinc/02/95/49/353029549.db2.gz WRBIHEIZKUTAMN-QWRGUYRKSA-N 1 0 239.275 -1.283 20 0 BAADRO C[C@H]1CN(C(=O)C2(O)C[NH2+]C2)CCS1(=O)=O ZINC000638851308 353030299 /nfs/dbraw/zinc/03/02/99/353030299.db2.gz ZEXLVYUGGGYOJH-ZETCQYMHSA-N 1 0 248.304 -2.034 20 0 BAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C[NH3+] ZINC000638888408 353050201 /nfs/dbraw/zinc/05/02/01/353050201.db2.gz YDLOULDEHVYPMM-HTQZYQBOSA-N 1 0 224.268 -1.274 20 0 BAADRO O=C(Cn1cnnn1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638909052 353065806 /nfs/dbraw/zinc/06/58/06/353065806.db2.gz CMKBBANYFFKDTD-BQBZGAKWSA-N 1 0 208.225 -1.754 20 0 BAADRO O=C(CN1CCNCC1=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638909335 353066414 /nfs/dbraw/zinc/06/64/14/353066414.db2.gz FJEOKIZZBAIKBV-IUCAKERBSA-N 1 0 238.291 -2.009 20 0 BAADRO O=C([C@H]1CCC(=O)N1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638909425 353066271 /nfs/dbraw/zinc/06/62/71/353066271.db2.gz HINNLPSWIAVXGK-BIIVOSGPSA-N 1 0 209.249 -1.162 20 0 BAADRO O=C([C@@H]1CCC(=O)N1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638909426 353066253 /nfs/dbraw/zinc/06/62/53/353066253.db2.gz HINNLPSWIAVXGK-FXQIFTODSA-N 1 0 209.249 -1.162 20 0 BAADRO O=C(Cn1cncn1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638910424 353066856 /nfs/dbraw/zinc/06/68/56/353066856.db2.gz QUIXSICXBSKHSL-YUMQZZPRSA-N 1 0 207.237 -1.149 20 0 BAADRO O=C([C@@H]1COCCO1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638910524 353074953 /nfs/dbraw/zinc/07/49/53/353074953.db2.gz RXFKUOMGTMCGOV-CIUDSAMLSA-N 1 0 212.249 -1.026 20 0 BAADRO O=C([C@H]1COCCO1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638910531 353074721 /nfs/dbraw/zinc/07/47/21/353074721.db2.gz RXFKUOMGTMCGOV-XHNCKOQMSA-N 1 0 212.249 -1.026 20 0 BAADRO NC(=O)C1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000638911539 353076132 /nfs/dbraw/zinc/07/61/32/353076132.db2.gz SBFFOZNCARWPMH-BQBZGAKWSA-N 1 0 209.249 -1.175 20 0 BAADRO CN(CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)S(C)(=O)=O ZINC000638911819 353076983 /nfs/dbraw/zinc/07/69/83/353076983.db2.gz CUXRWWVIJXTXPU-YUMQZZPRSA-N 1 0 247.320 -1.550 20 0 BAADRO CS(=O)(=O)NCCC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638912261 353076830 /nfs/dbraw/zinc/07/68/30/353076830.db2.gz NUHRKFVGZDXGRX-YUMQZZPRSA-N 1 0 247.320 -1.502 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638912348 353077659 /nfs/dbraw/zinc/07/76/59/353077659.db2.gz QAYJYURZGHCHPV-CSMHCCOUSA-N 1 0 247.320 -1.503 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638912349 353077651 /nfs/dbraw/zinc/07/76/51/353077651.db2.gz QAYJYURZGHCHPV-FXQIFTODSA-N 1 0 247.320 -1.503 20 0 BAADRO C[C@H](C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)S(C)(=O)=O ZINC000638912373 353077652 /nfs/dbraw/zinc/07/76/52/353077652.db2.gz QNYYLGDZYLWRQM-CSMHCCOUSA-N 1 0 232.305 -1.008 20 0 BAADRO C[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)S(C)(=O)=O ZINC000638912374 353077597 /nfs/dbraw/zinc/07/75/97/353077597.db2.gz QNYYLGDZYLWRQM-FXQIFTODSA-N 1 0 232.305 -1.008 20 0 BAADRO O=C(CN1CC(=O)NC1=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638913512 353071474 /nfs/dbraw/zinc/07/14/74/353071474.db2.gz STMUCLICROLDCY-BQBZGAKWSA-N 1 0 238.247 -1.889 20 0 BAADRO COCC(=O)N(C)CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914462 353073348 /nfs/dbraw/zinc/07/33/48/353073348.db2.gz ANXCLEWWDUJNBN-IUCAKERBSA-N 1 0 241.291 -1.336 20 0 BAADRO Cn1cnn(CC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1=O ZINC000638914611 353073493 /nfs/dbraw/zinc/07/34/93/353073493.db2.gz FWJOCTXURYRYMX-YUMQZZPRSA-N 1 0 237.263 -1.846 20 0 BAADRO O=C(c1nc2n(n1)CCCN2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915797 353074805 /nfs/dbraw/zinc/07/48/05/353074805.db2.gz VYMAYTBGOJXOTB-YUMQZZPRSA-N 1 0 248.290 -1.463 20 0 BAADRO CCS(=O)(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915975 353076540 /nfs/dbraw/zinc/07/65/40/353076540.db2.gz RUMCIWPUHVQAML-YUMQZZPRSA-N 1 0 247.320 -1.502 20 0 BAADRO O=C(CN1CCOCC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638916035 353077127 /nfs/dbraw/zinc/07/71/27/353077127.db2.gz VJUAHRRPFKLCLY-UWVGGRQHSA-N 1 0 225.292 -1.109 20 0 BAADRO CN(C)S(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638916121 353078303 /nfs/dbraw/zinc/07/83/03/353078303.db2.gz ZNURRKIAUMWNBX-YUMQZZPRSA-N 1 0 247.320 -1.550 20 0 BAADRO CCS(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638916422 353080019 /nfs/dbraw/zinc/08/00/19/353080019.db2.gz HDBRNUGKNDPSKU-YUMQZZPRSA-N 1 0 232.305 -1.006 20 0 BAADRO O=C([C@H]1CCS(=O)(=O)N1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638916720 353080496 /nfs/dbraw/zinc/08/04/96/353080496.db2.gz CEUCPESYBFLNCC-BIIVOSGPSA-N 1 0 245.304 -1.749 20 0 BAADRO O=C([C@@H]1CCS(=O)(=O)N1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638916721 353080568 /nfs/dbraw/zinc/08/05/68/353080568.db2.gz CEUCPESYBFLNCC-FXQIFTODSA-N 1 0 245.304 -1.749 20 0 BAADRO O=C(N1C[C@@H]2C[C@H]1C[NH2+]2)C1(n2cnnn2)CC1 ZINC000638917095 353080786 /nfs/dbraw/zinc/08/07/86/353080786.db2.gz LMZPMVHDLUETLD-YUMQZZPRSA-N 1 0 234.263 -1.265 20 0 BAADRO O=C(C1CS(=O)(=O)C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638917688 353081950 /nfs/dbraw/zinc/08/19/50/353081950.db2.gz GZPIIXNQFPIZQB-YUMQZZPRSA-N 1 0 230.289 -1.396 20 0 BAADRO CS(=O)(=O)CCC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638917913 353081840 /nfs/dbraw/zinc/08/18/40/353081840.db2.gz VXYKJFKFKLWMIC-YUMQZZPRSA-N 1 0 232.305 -1.006 20 0 BAADRO O=C(CN1CCCNC1=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638918046 353082598 /nfs/dbraw/zinc/08/25/98/353082598.db2.gz SPJTVDBWPPUMQE-IUCAKERBSA-N 1 0 238.291 -1.026 20 0 BAADRO CN1C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)NC1=O ZINC000638918154 353082376 /nfs/dbraw/zinc/08/23/76/353082376.db2.gz XZIBEQMHZUQFSF-BIIVOSGPSA-N 1 0 224.264 -1.417 20 0 BAADRO CN1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)NC1=O ZINC000638918155 353082328 /nfs/dbraw/zinc/08/23/28/353082328.db2.gz XZIBEQMHZUQFSF-FXQIFTODSA-N 1 0 224.264 -1.417 20 0 BAADRO O=C(Cc1nnc[nH]1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638918507 353082883 /nfs/dbraw/zinc/08/28/83/353082883.db2.gz RYIAMPSJMAZKHG-BQBZGAKWSA-N 1 0 207.237 -1.080 20 0 BAADRO CNS(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638918710 353082923 /nfs/dbraw/zinc/08/29/23/353082923.db2.gz YZVOXOZJROLHIT-BQBZGAKWSA-N 1 0 233.293 -1.892 20 0 BAADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)O1 ZINC000638918771 353083234 /nfs/dbraw/zinc/08/32/34/353083234.db2.gz TWVLCTJIJYNXIH-XSPKLOCKSA-N 1 0 239.275 -1.408 20 0 BAADRO O=C(Cn1cnnn1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638918840 353082866 /nfs/dbraw/zinc/08/28/66/353082866.db2.gz FGVMBJRSHDXMAB-OCAPTIKFSA-N 1 0 222.252 -1.364 20 0 BAADRO CNS(=O)(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638923718 353084529 /nfs/dbraw/zinc/08/45/29/353084529.db2.gz XMDCFDNSPHXZTN-OCAPTIKFSA-N 1 0 247.320 -1.502 20 0 BAADRO CN1C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)NC1=O ZINC000638926012 353086813 /nfs/dbraw/zinc/08/68/13/353086813.db2.gz ATNPQIXPDJHGHD-HRDYMLBCSA-N 1 0 238.291 -1.027 20 0 BAADRO CN1C[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)NC1=O ZINC000638926021 353086622 /nfs/dbraw/zinc/08/66/22/353086622.db2.gz ATNPQIXPDJHGHD-YIZRAAEISA-N 1 0 238.291 -1.027 20 0 BAADRO O=C(C1CS(=O)(=O)C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638927020 398204730 /nfs/dbraw/zinc/20/47/30/398204730.db2.gz QXSVNPLJKDKWJF-DTORHVGOSA-N 1 0 244.316 -1.006 20 0 BAADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Cn1ncn(C)c1=O ZINC000638928203 353088533 /nfs/dbraw/zinc/08/85/33/353088533.db2.gz GESHLRBWZYHWPI-HTQZYQBOSA-N 1 0 239.279 -1.470 20 0 BAADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)Cn1ncn(C)c1=O ZINC000638928204 353088402 /nfs/dbraw/zinc/08/84/02/353088402.db2.gz GESHLRBWZYHWPI-JGVFFNPUSA-N 1 0 239.279 -1.470 20 0 BAADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)Cn1ncn(C)c1=O ZINC000638928205 353088523 /nfs/dbraw/zinc/08/85/23/353088523.db2.gz GESHLRBWZYHWPI-SFYZADRCSA-N 1 0 239.279 -1.470 20 0 BAADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)Cn1ncn(C)c1=O ZINC000638928206 353088744 /nfs/dbraw/zinc/08/87/44/353088744.db2.gz GESHLRBWZYHWPI-YUMQZZPRSA-N 1 0 239.279 -1.470 20 0 BAADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@H]1CN(C)C(=O)N1 ZINC000638928588 353097923 /nfs/dbraw/zinc/09/79/23/353097923.db2.gz BEICCTLMPWKUTC-BWZBUEFSSA-N 1 0 226.280 -1.042 20 0 BAADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1CN(C)C(=O)N1 ZINC000638928589 353098282 /nfs/dbraw/zinc/09/82/82/353098282.db2.gz BEICCTLMPWKUTC-CSMHCCOUSA-N 1 0 226.280 -1.042 20 0 BAADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1CN(C)C(=O)N1 ZINC000638928590 353097989 /nfs/dbraw/zinc/09/79/89/353097989.db2.gz BEICCTLMPWKUTC-GJMOJQLCSA-N 1 0 226.280 -1.042 20 0 BAADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@@H]1CN(C)C(=O)N1 ZINC000638928591 353098189 /nfs/dbraw/zinc/09/81/89/353098189.db2.gz BEICCTLMPWKUTC-PRJMDXOYSA-N 1 0 226.280 -1.042 20 0 BAADRO CCS(=O)(=O)NCC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000638929935 353090825 /nfs/dbraw/zinc/09/08/25/353090825.db2.gz DHTLKGZCRMJIPV-HTQZYQBOSA-N 1 0 249.336 -1.126 20 0 BAADRO CCS(=O)(=O)NCC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000638929939 353090878 /nfs/dbraw/zinc/09/08/78/353090878.db2.gz DHTLKGZCRMJIPV-JGVFFNPUSA-N 1 0 249.336 -1.126 20 0 BAADRO CCS(=O)(=O)NCC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000638929941 353091132 /nfs/dbraw/zinc/09/11/32/353091132.db2.gz DHTLKGZCRMJIPV-SFYZADRCSA-N 1 0 249.336 -1.126 20 0 BAADRO CCS(=O)(=O)NCC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000638929942 353091127 /nfs/dbraw/zinc/09/11/27/353091127.db2.gz DHTLKGZCRMJIPV-YUMQZZPRSA-N 1 0 249.336 -1.126 20 0 BAADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CS(=O)(=O)N(C)C ZINC000638931434 353092555 /nfs/dbraw/zinc/09/25/55/353092555.db2.gz LMWCYCQAUGOYPC-HTQZYQBOSA-N 1 0 249.336 -1.174 20 0 BAADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)CS(=O)(=O)N(C)C ZINC000638931435 353092580 /nfs/dbraw/zinc/09/25/80/353092580.db2.gz LMWCYCQAUGOYPC-JGVFFNPUSA-N 1 0 249.336 -1.174 20 0 BAADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)CS(=O)(=O)N(C)C ZINC000638931436 353092474 /nfs/dbraw/zinc/09/24/74/353092474.db2.gz LMWCYCQAUGOYPC-SFYZADRCSA-N 1 0 249.336 -1.174 20 0 BAADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)CS(=O)(=O)N(C)C ZINC000638931437 353092432 /nfs/dbraw/zinc/09/24/32/353092432.db2.gz LMWCYCQAUGOYPC-YUMQZZPRSA-N 1 0 249.336 -1.174 20 0 BAADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C1CS(=O)(=O)C1 ZINC000638931716 353093260 /nfs/dbraw/zinc/09/32/60/353093260.db2.gz QVLIUYOELZETDB-HTRCEHHLSA-N 1 0 232.305 -1.021 20 0 BAADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C1CS(=O)(=O)C1 ZINC000638931717 353093230 /nfs/dbraw/zinc/09/32/30/353093230.db2.gz QVLIUYOELZETDB-POYBYMJQSA-N 1 0 232.305 -1.021 20 0 BAADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C1CS(=O)(=O)C1 ZINC000638931718 353093246 /nfs/dbraw/zinc/09/32/46/353093246.db2.gz QVLIUYOELZETDB-SVRRBLITSA-N 1 0 232.305 -1.021 20 0 BAADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)C1CS(=O)(=O)C1 ZINC000638931719 353093048 /nfs/dbraw/zinc/09/30/48/353093048.db2.gz QVLIUYOELZETDB-XPUUQOCRSA-N 1 0 232.305 -1.021 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000638936635 353108636 /nfs/dbraw/zinc/10/86/36/353108636.db2.gz DZBCFMSRTDFMOI-BIIVOSGPSA-N 1 0 249.336 -1.128 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000638936640 353108498 /nfs/dbraw/zinc/10/84/98/353108498.db2.gz DZBCFMSRTDFMOI-CSMHCCOUSA-N 1 0 249.336 -1.128 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000638936642 353108603 /nfs/dbraw/zinc/10/86/03/353108603.db2.gz DZBCFMSRTDFMOI-FXQIFTODSA-N 1 0 249.336 -1.128 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000638936646 353108437 /nfs/dbraw/zinc/10/84/37/353108437.db2.gz DZBCFMSRTDFMOI-GJMOJQLCSA-N 1 0 249.336 -1.128 20 0 BAADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCNS(C)(=O)=O ZINC000638938752 353120736 /nfs/dbraw/zinc/12/07/36/353120736.db2.gz KVMOWTHHSRFHMS-HTQZYQBOSA-N 1 0 249.336 -1.126 20 0 BAADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)CCNS(C)(=O)=O ZINC000638938756 353120508 /nfs/dbraw/zinc/12/05/08/353120508.db2.gz KVMOWTHHSRFHMS-JGVFFNPUSA-N 1 0 249.336 -1.126 20 0 BAADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)CCNS(C)(=O)=O ZINC000638938758 353120697 /nfs/dbraw/zinc/12/06/97/353120697.db2.gz KVMOWTHHSRFHMS-SFYZADRCSA-N 1 0 249.336 -1.126 20 0 BAADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)CCNS(C)(=O)=O ZINC000638938760 353120810 /nfs/dbraw/zinc/12/08/10/353120810.db2.gz KVMOWTHHSRFHMS-YUMQZZPRSA-N 1 0 249.336 -1.126 20 0 BAADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CN(C)S(C)(=O)=O ZINC000638940567 353128421 /nfs/dbraw/zinc/12/84/21/353128421.db2.gz SJSGVOICNOGJDZ-HTQZYQBOSA-N 1 0 249.336 -1.174 20 0 BAADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)CN(C)S(C)(=O)=O ZINC000638940569 353128468 /nfs/dbraw/zinc/12/84/68/353128468.db2.gz SJSGVOICNOGJDZ-JGVFFNPUSA-N 1 0 249.336 -1.174 20 0 BAADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)CN(C)S(C)(=O)=O ZINC000638940571 353128525 /nfs/dbraw/zinc/12/85/25/353128525.db2.gz SJSGVOICNOGJDZ-SFYZADRCSA-N 1 0 249.336 -1.174 20 0 BAADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)CN(C)S(C)(=O)=O ZINC000638940572 353128592 /nfs/dbraw/zinc/12/85/92/353128592.db2.gz SJSGVOICNOGJDZ-YUMQZZPRSA-N 1 0 249.336 -1.174 20 0 BAADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)CN1CCNCC1=O ZINC000638945086 353148791 /nfs/dbraw/zinc/14/87/91/353148791.db2.gz BHQWJXPCJNHJPT-BDAKNGLRSA-N 1 0 240.307 -1.634 20 0 BAADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)CN1CCNCC1=O ZINC000638945087 353148787 /nfs/dbraw/zinc/14/87/87/353148787.db2.gz BHQWJXPCJNHJPT-DTWKUNHWSA-N 1 0 240.307 -1.634 20 0 BAADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)CN1CCNCC1=O ZINC000638945088 353148913 /nfs/dbraw/zinc/14/89/13/353148913.db2.gz BHQWJXPCJNHJPT-IUCAKERBSA-N 1 0 240.307 -1.634 20 0 BAADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CN1CCNCC1=O ZINC000638945089 353148934 /nfs/dbraw/zinc/14/89/34/353148934.db2.gz BHQWJXPCJNHJPT-RKDXNWHRSA-N 1 0 240.307 -1.634 20 0 BAADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)Cn1cnnn1 ZINC000638947019 353149911 /nfs/dbraw/zinc/14/99/11/353149911.db2.gz RGESUIACPNJHEY-BQBZGAKWSA-N 1 0 210.241 -1.379 20 0 BAADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)Cn1cnnn1 ZINC000638947020 353149943 /nfs/dbraw/zinc/14/99/43/353149943.db2.gz RGESUIACPNJHEY-NKWVEPMBSA-N 1 0 210.241 -1.379 20 0 BAADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Cn1cnnn1 ZINC000638947021 353149936 /nfs/dbraw/zinc/14/99/36/353149936.db2.gz RGESUIACPNJHEY-RNFRBKRXSA-N 1 0 210.241 -1.379 20 0 BAADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)Cn1cnnn1 ZINC000638947022 353150017 /nfs/dbraw/zinc/15/00/17/353150017.db2.gz RGESUIACPNJHEY-RQJHMYQMSA-N 1 0 210.241 -1.379 20 0 BAADRO CNS(=O)(=O)CCCNC(=O)C[NH2+]C1CC1 ZINC000638980506 353188126 /nfs/dbraw/zinc/18/81/26/353188126.db2.gz NCLWVSXSQRLMCR-UHFFFAOYSA-N 1 0 249.336 -1.206 20 0 BAADRO CNS(=O)(=O)CCCNC(=O)[C@H]1CCC[NH2+]1 ZINC000638980899 353189438 /nfs/dbraw/zinc/18/94/38/353189438.db2.gz OWPUFLPAWMAZQW-MRVPVSSYSA-N 1 0 249.336 -1.206 20 0 BAADRO CNS(=O)(=O)CCCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638980900 353189554 /nfs/dbraw/zinc/18/95/54/353189554.db2.gz OWPUFLPAWMAZQW-QMMMGPOBSA-N 1 0 249.336 -1.206 20 0 BAADRO CNS(=O)(=O)CCCNC(=O)[C@H](C)[NH2+]C ZINC000638980928 353189256 /nfs/dbraw/zinc/18/92/56/353189256.db2.gz PBVPNJYOFRRPEK-ZETCQYMHSA-N 1 0 237.325 -1.350 20 0 BAADRO CNS(=O)(=O)CCCNC(=O)C1(C)C[NH2+]C1 ZINC000638981921 353196130 /nfs/dbraw/zinc/19/61/30/353196130.db2.gz ZDBOKGBQGHCTFO-UHFFFAOYSA-N 1 0 249.336 -1.349 20 0 BAADRO CNC(=O)NC[C@@H]1COCCN1C(=O)C[NH3+] ZINC000639003530 387051600 /nfs/dbraw/zinc/05/16/00/387051600.db2.gz HWSLXUZRHSGMLX-SSDOTTSWSA-N 1 0 230.268 -1.899 20 0 BAADRO CNC(=O)NC[C@H]1COCCN1C(=O)C[NH3+] ZINC000639003532 387051705 /nfs/dbraw/zinc/05/17/05/387051705.db2.gz HWSLXUZRHSGMLX-ZETCQYMHSA-N 1 0 230.268 -1.899 20 0 BAADRO CNC(=O)NC[C@@H]1COCCN1C(=O)CC[NH3+] ZINC000639004318 353253256 /nfs/dbraw/zinc/25/32/56/353253256.db2.gz NRFGGWFZWZDTTP-MRVPVSSYSA-N 1 0 244.295 -1.508 20 0 BAADRO CNC(=O)NC[C@H]1COCCN1C(=O)CC[NH3+] ZINC000639004319 353253451 /nfs/dbraw/zinc/25/34/51/353253451.db2.gz NRFGGWFZWZDTTP-QMMMGPOBSA-N 1 0 244.295 -1.508 20 0 BAADRO CNC(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)[NH3+] ZINC000639005307 353256953 /nfs/dbraw/zinc/25/69/53/353256953.db2.gz VYPQXOJYALLSFC-HTQZYQBOSA-N 1 0 244.295 -1.510 20 0 BAADRO CNC(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)[NH3+] ZINC000639005310 353257036 /nfs/dbraw/zinc/25/70/36/353257036.db2.gz VYPQXOJYALLSFC-JGVFFNPUSA-N 1 0 244.295 -1.510 20 0 BAADRO CNC(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)[NH3+] ZINC000639005311 353257004 /nfs/dbraw/zinc/25/70/04/353257004.db2.gz VYPQXOJYALLSFC-SFYZADRCSA-N 1 0 244.295 -1.510 20 0 BAADRO CNC(=O)NC[C@H]1COCCN1C(=O)[C@H](C)[NH3+] ZINC000639005314 353257157 /nfs/dbraw/zinc/25/71/57/353257157.db2.gz VYPQXOJYALLSFC-YUMQZZPRSA-N 1 0 244.295 -1.510 20 0 BAADRO CNC(=O)NC[C@@H]1COCCN1C(=O)C[NH2+]C ZINC000639005596 353257518 /nfs/dbraw/zinc/25/75/18/353257518.db2.gz XRWXVFBHTINKOA-MRVPVSSYSA-N 1 0 244.295 -1.638 20 0 BAADRO CNC(=O)NC[C@H]1COCCN1C(=O)C[NH2+]C ZINC000639005597 353257649 /nfs/dbraw/zinc/25/76/49/353257649.db2.gz XRWXVFBHTINKOA-QMMMGPOBSA-N 1 0 244.295 -1.638 20 0 BAADRO CCc1cc(NC(=O)C2(O)C[NH2+]C2)n[nH]1 ZINC000639013646 411762930 /nfs/dbraw/zinc/76/29/30/411762930.db2.gz QBCLUVJVLKUTBJ-UHFFFAOYSA-N 1 0 210.237 -0.755 20 0 BAADRO CN(Cc1ncc[nH]1)C(=O)C1(O)C[NH2+]C1 ZINC000639016362 353267969 /nfs/dbraw/zinc/26/79/69/353267969.db2.gz HEDKLKIGAASCPB-UHFFFAOYSA-N 1 0 210.237 -1.298 20 0 BAADRO O=C(NCCOC(F)(F)F)C1(O)C[NH2+]C1 ZINC000639032963 353304323 /nfs/dbraw/zinc/30/43/23/353304323.db2.gz DVJOYLITLRFRMX-UHFFFAOYSA-N 1 0 228.170 -1.027 20 0 BAADRO O=C(N1CCn2nccc21)C1(O)C[NH2+]C1 ZINC000639034937 353308373 /nfs/dbraw/zinc/30/83/73/353308373.db2.gz OCMPLBHEKDYWLH-UHFFFAOYSA-N 1 0 208.221 -1.436 20 0 BAADRO CO[C@]1(C[NH+]2C[C@H](O)[C@@H](O)C2)CCOC1 ZINC000639346793 355793083 /nfs/dbraw/zinc/79/30/83/355793083.db2.gz VWAUBDPVHMDJDK-GUBZILKMSA-N 1 0 217.265 -1.171 20 0 BAADRO CO[C@@]1(C[NH+]2C[C@H](O)[C@@H](O)C2)CCOC1 ZINC000639346797 355793097 /nfs/dbraw/zinc/79/30/97/355793097.db2.gz VWAUBDPVHMDJDK-LPEHRKFASA-N 1 0 217.265 -1.171 20 0 BAADRO Cc1nn(CC(=O)NCC[NH+](C)C)c(=O)o1 ZINC000639449197 356229475 /nfs/dbraw/zinc/22/94/75/356229475.db2.gz UQCZPKQFBJRUPR-UHFFFAOYSA-N 1 0 228.252 -1.177 20 0 BAADRO C[C@@](O)(C[C@H](O)C[N@H+]1C[C@@H](O)[C@@H](O)C1)C1CC1 ZINC000639508997 356338010 /nfs/dbraw/zinc/33/80/10/356338010.db2.gz WICBIRVFLUYWHF-NNYUYHANSA-N 1 0 245.319 -1.064 20 0 BAADRO C[C@@](O)(C[C@@H](O)C[N@H+]1C[C@@H](O)[C@@H](O)C1)C1CC1 ZINC000639508999 356338547 /nfs/dbraw/zinc/33/85/47/356338547.db2.gz WICBIRVFLUYWHF-WISYIIOYSA-N 1 0 245.319 -1.064 20 0 BAADRO C[C@](O)(C[C@@H](O)C[N@H+]1C[C@@H](O)[C@@H](O)C1)C1CC1 ZINC000639509000 356338411 /nfs/dbraw/zinc/33/84/11/356338411.db2.gz WICBIRVFLUYWHF-WYUUTHIRSA-N 1 0 245.319 -1.064 20 0 BAADRO C[C@](O)(C[C@H](O)C[N@H+]1C[C@@H](O)[C@@H](O)C1)C1CC1 ZINC000639509002 356338502 /nfs/dbraw/zinc/33/85/02/356338502.db2.gz WICBIRVFLUYWHF-YFKTTZPYSA-N 1 0 245.319 -1.064 20 0 BAADRO C[NH+](C)CC1(C(=O)NCCS(N)(=O)=O)CC1 ZINC000639538296 356390710 /nfs/dbraw/zinc/39/07/10/356390710.db2.gz LDPVYVFFJMOHDI-UHFFFAOYSA-N 1 0 249.336 -1.267 20 0 BAADRO O=C(C[NH2+]C(CO)CO)Nc1ccccn1 ZINC000639663233 356577464 /nfs/dbraw/zinc/57/74/64/356577464.db2.gz RDUHPEKPEMAOLI-UHFFFAOYSA-N 1 0 225.248 -1.037 20 0 BAADRO CO[C@@H]1C[N@H+](CCCS(N)(=O)=O)C[C@H]1O ZINC000639663928 356578559 /nfs/dbraw/zinc/57/85/59/356578559.db2.gz PGUUYHYHHCPPBJ-HTQZYQBOSA-N 1 0 238.309 -1.644 20 0 BAADRO CN(C)C(=O)CN1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000639669360 356583772 /nfs/dbraw/zinc/58/37/72/356583772.db2.gz SGBHOGLIMFLMQQ-IUCAKERBSA-N 1 0 241.291 -1.336 20 0 BAADRO CO[C@@H]1COC[C@@H]1[NH2+]CCCS(N)(=O)=O ZINC000639674071 356590338 /nfs/dbraw/zinc/59/03/38/356590338.db2.gz XGDMAAGCCBSDHK-JGVFFNPUSA-N 1 0 238.309 -1.332 20 0 BAADRO CNC(=O)CN1CCN(c2nc[nH]n2)CC1 ZINC000639729115 356623566 /nfs/dbraw/zinc/62/35/66/356623566.db2.gz UUDJGZPINTUAJK-UHFFFAOYSA-N 1 0 224.268 -1.327 20 0 BAADRO C[NH+](C)C[C@@]1(O)CCCN(CC(N)=O)C1 ZINC000639766139 356696183 /nfs/dbraw/zinc/69/61/83/356696183.db2.gz OLVMRURKLBEUMS-JTQLQIEISA-N 1 0 215.297 -1.140 20 0 BAADRO C[NH+](C)C[C@]1(O)CCCN(CC(N)=O)C1 ZINC000639766150 356695964 /nfs/dbraw/zinc/69/59/64/356695964.db2.gz OLVMRURKLBEUMS-SNVBAGLBSA-N 1 0 215.297 -1.140 20 0 BAADRO COC[C@@H](O)C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000639781763 356730926 /nfs/dbraw/zinc/73/09/26/356730926.db2.gz HEAOUZXBFFMLOP-BBBLOLIVSA-N 1 0 219.281 -1.189 20 0 BAADRO CCNC(=O)C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000639783569 356735122 /nfs/dbraw/zinc/73/51/22/356735122.db2.gz GQZNETIYQJDXOY-RKDXNWHRSA-N 1 0 216.281 -1.060 20 0 BAADRO NC(=O)[C@@H]1C[NH+](C[C@@H]2CCCO2)C[C@H]1C(N)=O ZINC000639838394 356829545 /nfs/dbraw/zinc/82/95/45/356829545.db2.gz BHNOFSZMRNDXQI-DJLDLDEBSA-N 1 0 241.291 -1.316 20 0 BAADRO NC(=O)[C@H]1C[N@H+](C[C@H]2CCCO2)C[C@H]1C(N)=O ZINC000639838397 356829479 /nfs/dbraw/zinc/82/94/79/356829479.db2.gz BHNOFSZMRNDXQI-HLTSFMKQSA-N 1 0 241.291 -1.316 20 0 BAADRO NC(=O)[C@@H]1C[NH+](C[C@H]2CCCO2)C[C@H]1C(N)=O ZINC000639838398 356829287 /nfs/dbraw/zinc/82/92/87/356829287.db2.gz BHNOFSZMRNDXQI-IWSPIJDZSA-N 1 0 241.291 -1.316 20 0 BAADRO NC(=O)[C@H]1C[N@H+](C[C@@H]2CCCO2)C[C@H]1C(N)=O ZINC000639838400 356829705 /nfs/dbraw/zinc/82/97/05/356829705.db2.gz BHNOFSZMRNDXQI-XHNCKOQMSA-N 1 0 241.291 -1.316 20 0 BAADRO COCC[C@H](C)[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC000639842624 356837562 /nfs/dbraw/zinc/83/75/62/356837562.db2.gz AZLSFPKNAYHJKO-CIUDSAMLSA-N 1 0 243.307 -1.070 20 0 BAADRO COCC[C@H](C)[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639842625 356837155 /nfs/dbraw/zinc/83/71/55/356837155.db2.gz AZLSFPKNAYHJKO-DJLDLDEBSA-N 1 0 243.307 -1.070 20 0 BAADRO COCC[C@@H](C)[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639842626 356837745 /nfs/dbraw/zinc/83/77/45/356837745.db2.gz AZLSFPKNAYHJKO-HLTSFMKQSA-N 1 0 243.307 -1.070 20 0 BAADRO COCC[C@H](C)[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639842627 356837528 /nfs/dbraw/zinc/83/75/28/356837528.db2.gz AZLSFPKNAYHJKO-XHNCKOQMSA-N 1 0 243.307 -1.070 20 0 BAADRO NC(=O)[C@H]1C[NH+](CCCF)C[C@@H]1C(N)=O ZINC000639843013 356838307 /nfs/dbraw/zinc/83/83/07/356838307.db2.gz CJPCOLYJKUTEIQ-BQBZGAKWSA-N 1 0 217.244 -1.135 20 0 BAADRO NC(=O)[C@H]1C[N@H+](CCCF)C[C@H]1C(N)=O ZINC000639843014 356838362 /nfs/dbraw/zinc/83/83/62/356838362.db2.gz CJPCOLYJKUTEIQ-KNVOCYPGSA-N 1 0 217.244 -1.135 20 0 BAADRO NC(=O)[C@@H]1C[NH+](CCCF)C[C@H]1C(N)=O ZINC000639843015 356838312 /nfs/dbraw/zinc/83/83/12/356838312.db2.gz CJPCOLYJKUTEIQ-RNFRBKRXSA-N 1 0 217.244 -1.135 20 0 BAADRO CCOCC[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843435 356839220 /nfs/dbraw/zinc/83/92/20/356839220.db2.gz FRQMRKDNYAJUQY-HTQZYQBOSA-N 1 0 229.280 -1.459 20 0 BAADRO CCOCC[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843440 356839115 /nfs/dbraw/zinc/83/91/15/356839115.db2.gz FRQMRKDNYAJUQY-OCAPTIKFSA-N 1 0 229.280 -1.459 20 0 BAADRO CCOCC[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC000639843441 356839026 /nfs/dbraw/zinc/83/90/26/356839026.db2.gz FRQMRKDNYAJUQY-YUMQZZPRSA-N 1 0 229.280 -1.459 20 0 BAADRO CCOCCC[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843442 356839554 /nfs/dbraw/zinc/83/95/54/356839554.db2.gz FSDKLHJFUNTQRW-DTORHVGOSA-N 1 0 243.307 -1.068 20 0 BAADRO CCOCCC[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC000639843444 356839543 /nfs/dbraw/zinc/83/95/43/356839543.db2.gz FSDKLHJFUNTQRW-IUCAKERBSA-N 1 0 243.307 -1.068 20 0 BAADRO CCOCCC[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843445 356839029 /nfs/dbraw/zinc/83/90/29/356839029.db2.gz FSDKLHJFUNTQRW-RKDXNWHRSA-N 1 0 243.307 -1.068 20 0 BAADRO NC(=O)[C@@H]1C[NH+](CC2CC2)C[C@H]1C(N)=O ZINC000639843975 356838600 /nfs/dbraw/zinc/83/86/00/356838600.db2.gz HWLITIQJSGMLLI-HTQZYQBOSA-N 1 0 211.265 -1.085 20 0 BAADRO NC(=O)[C@H]1C[N@H+](CC2CC2)C[C@H]1C(N)=O ZINC000639844288 356839565 /nfs/dbraw/zinc/83/95/65/356839565.db2.gz HWLITIQJSGMLLI-OCAPTIKFSA-N 1 0 211.265 -1.085 20 0 BAADRO NC(=O)[C@H]1C[NH+](CC2CC2)C[C@@H]1C(N)=O ZINC000639844289 356839405 /nfs/dbraw/zinc/83/94/05/356839405.db2.gz HWLITIQJSGMLLI-YUMQZZPRSA-N 1 0 211.265 -1.085 20 0 BAADRO COCCC[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639845455 356841796 /nfs/dbraw/zinc/84/17/96/356841796.db2.gz LTRMOFOLTYDNTE-HTQZYQBOSA-N 1 0 229.280 -1.459 20 0 BAADRO COCCC[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639845456 356841847 /nfs/dbraw/zinc/84/18/47/356841847.db2.gz LTRMOFOLTYDNTE-OCAPTIKFSA-N 1 0 229.280 -1.459 20 0 BAADRO COCCC[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC000639845458 356841887 /nfs/dbraw/zinc/84/18/87/356841887.db2.gz LTRMOFOLTYDNTE-YUMQZZPRSA-N 1 0 229.280 -1.459 20 0 BAADRO CO[C@@H](C)C[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639845946 356840248 /nfs/dbraw/zinc/84/02/48/356840248.db2.gz NWKRJICHSNXHFD-BIIVOSGPSA-N 1 0 229.280 -1.460 20 0 BAADRO CO[C@H](C)C[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639845948 356840153 /nfs/dbraw/zinc/84/01/53/356840153.db2.gz NWKRJICHSNXHFD-BWZBUEFSSA-N 1 0 229.280 -1.460 20 0 BAADRO CO[C@H](C)C[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC000639845952 356840221 /nfs/dbraw/zinc/84/02/21/356840221.db2.gz NWKRJICHSNXHFD-CSMHCCOUSA-N 1 0 229.280 -1.460 20 0 BAADRO CO[C@H](C)C[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639845953 356840800 /nfs/dbraw/zinc/84/08/00/356840800.db2.gz NWKRJICHSNXHFD-PRJMDXOYSA-N 1 0 229.280 -1.460 20 0 BAADRO COCCCC[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639846347 356844411 /nfs/dbraw/zinc/84/44/11/356844411.db2.gz PAHYOLFRJNIQEH-DTORHVGOSA-N 1 0 243.307 -1.068 20 0 BAADRO COCCCC[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC000639846348 356844190 /nfs/dbraw/zinc/84/41/90/356844190.db2.gz PAHYOLFRJNIQEH-IUCAKERBSA-N 1 0 243.307 -1.068 20 0 BAADRO COCCCC[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639846349 356844193 /nfs/dbraw/zinc/84/41/93/356844193.db2.gz PAHYOLFRJNIQEH-RKDXNWHRSA-N 1 0 243.307 -1.068 20 0 BAADRO CC[C@H](C[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1)OC ZINC000639846853 386831063 /nfs/dbraw/zinc/83/10/63/386831063.db2.gz RZEINTVFANBRLF-HLTSFMKQSA-N 1 0 243.307 -1.070 20 0 BAADRO CC[C@H](C[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1)OC ZINC000639846855 386831676 /nfs/dbraw/zinc/83/16/76/386831676.db2.gz RZEINTVFANBRLF-IWSPIJDZSA-N 1 0 243.307 -1.070 20 0 BAADRO CC[C@H](C[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1)OC ZINC000639846857 386831127 /nfs/dbraw/zinc/83/11/27/386831127.db2.gz RZEINTVFANBRLF-VGMNWLOBSA-N 1 0 243.307 -1.070 20 0 BAADRO CC[C@@H](C[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1)OC ZINC000639846859 386831648 /nfs/dbraw/zinc/83/16/48/386831648.db2.gz RZEINTVFANBRLF-XHNCKOQMSA-N 1 0 243.307 -1.070 20 0 BAADRO CC1(C[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)COC1 ZINC000639847325 356843009 /nfs/dbraw/zinc/84/30/09/356843009.db2.gz UKBBXUIHRQFYOC-HTQZYQBOSA-N 1 0 241.291 -1.459 20 0 BAADRO CC1(C[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)COC1 ZINC000639847327 356843535 /nfs/dbraw/zinc/84/35/35/356843535.db2.gz UKBBXUIHRQFYOC-OCAPTIKFSA-N 1 0 241.291 -1.459 20 0 BAADRO CC1(C[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)COC1 ZINC000639847590 356843198 /nfs/dbraw/zinc/84/31/98/356843198.db2.gz UKBBXUIHRQFYOC-YUMQZZPRSA-N 1 0 241.291 -1.459 20 0 BAADRO COCC[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC000639847669 356844471 /nfs/dbraw/zinc/84/44/71/356844471.db2.gz VBZYMHXKLPOIBG-BQBZGAKWSA-N 1 0 215.253 -1.849 20 0 BAADRO COCC[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639847672 356844185 /nfs/dbraw/zinc/84/41/85/356844185.db2.gz VBZYMHXKLPOIBG-KNVOCYPGSA-N 1 0 215.253 -1.849 20 0 BAADRO COCC[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639847674 356844557 /nfs/dbraw/zinc/84/45/57/356844557.db2.gz VBZYMHXKLPOIBG-RNFRBKRXSA-N 1 0 215.253 -1.849 20 0 BAADRO COC[C@H](C)[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639848148 356845029 /nfs/dbraw/zinc/84/50/29/356845029.db2.gz XPWNUNHIXQNONU-BIIVOSGPSA-N 1 0 229.280 -1.460 20 0 BAADRO COC[C@H](C)[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC000639848150 356845559 /nfs/dbraw/zinc/84/55/59/356845559.db2.gz XPWNUNHIXQNONU-FXQIFTODSA-N 1 0 229.280 -1.460 20 0 BAADRO COC[C@@H](C)[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639848152 356845412 /nfs/dbraw/zinc/84/54/12/356845412.db2.gz XPWNUNHIXQNONU-PRJMDXOYSA-N 1 0 229.280 -1.460 20 0 BAADRO COC[C@H](C)[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639848154 356845316 /nfs/dbraw/zinc/84/53/16/356845316.db2.gz XPWNUNHIXQNONU-XLPZGREQSA-N 1 0 229.280 -1.460 20 0 BAADRO CC(C)OCC[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639848575 356846957 /nfs/dbraw/zinc/84/69/57/356846957.db2.gz ZKJPAJWOTBETQM-DTORHVGOSA-N 1 0 243.307 -1.070 20 0 BAADRO CC(C)OCC[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC000639848576 356847112 /nfs/dbraw/zinc/84/71/12/356847112.db2.gz ZKJPAJWOTBETQM-IUCAKERBSA-N 1 0 243.307 -1.070 20 0 BAADRO CC(C)OCC[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639848577 356846877 /nfs/dbraw/zinc/84/68/77/356846877.db2.gz ZKJPAJWOTBETQM-RKDXNWHRSA-N 1 0 243.307 -1.070 20 0 BAADRO CCNC(=O)C[N@@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639856926 356861438 /nfs/dbraw/zinc/86/14/38/356861438.db2.gz SAAGCMBUEIVVNI-PSASIEDQSA-N 1 0 216.281 -1.060 20 0 BAADRO CCNC(=O)C[N@@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639856927 356861382 /nfs/dbraw/zinc/86/13/82/356861382.db2.gz SAAGCMBUEIVVNI-SCZZXKLOSA-N 1 0 216.281 -1.060 20 0 BAADRO CCNC(=O)C[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639857155 356861324 /nfs/dbraw/zinc/86/13/24/356861324.db2.gz SAAGCMBUEIVVNI-WCBMZHEXSA-N 1 0 216.281 -1.060 20 0 BAADRO CCNC(=O)C[N@@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639857157 356861182 /nfs/dbraw/zinc/86/11/82/356861182.db2.gz SAAGCMBUEIVVNI-WPRPVWTQSA-N 1 0 216.281 -1.060 20 0 BAADRO CC[N@H+](C)C[C@H](O)CN1CCN(C)C[C@@H]1CO ZINC000639867659 356996581 /nfs/dbraw/zinc/99/65/81/356996581.db2.gz ONADZQCABMYKKG-NEPJUHHUSA-N 1 0 245.367 -1.093 20 0 BAADRO CC[N@H+](C)C[C@@H](O)CN1CCN(C)C[C@H]1CO ZINC000639867664 356996280 /nfs/dbraw/zinc/99/62/80/356996280.db2.gz ONADZQCABMYKKG-NWDGAFQWSA-N 1 0 245.367 -1.093 20 0 BAADRO CC[N@H+](C)C[C@H](O)CN1CCN(C)C[C@H]1CO ZINC000639867665 356996820 /nfs/dbraw/zinc/99/68/20/356996820.db2.gz ONADZQCABMYKKG-RYUDHWBXSA-N 1 0 245.367 -1.093 20 0 BAADRO CC[N@H+](C)C[C@@H](O)CN1CCN(C)C[C@@H]1CO ZINC000639867666 356996226 /nfs/dbraw/zinc/99/62/26/356996226.db2.gz ONADZQCABMYKKG-VXGBXAGGSA-N 1 0 245.367 -1.093 20 0 BAADRO CCOC[C@H](O)C[N@@H+]1CCN(C)C[C@@H]1CO ZINC000639872783 357045617 /nfs/dbraw/zinc/04/56/17/357045617.db2.gz XJSSWKBCUYHWNP-GHMZBOCLSA-N 1 0 232.324 -1.008 20 0 BAADRO CCOC[C@@H](O)C[N@@H+]1CCN(C)C[C@@H]1CO ZINC000639872786 357045563 /nfs/dbraw/zinc/04/55/63/357045563.db2.gz XJSSWKBCUYHWNP-MNOVXSKESA-N 1 0 232.324 -1.008 20 0 BAADRO CCOC[C@@H](O)C[N@@H+]1CCN(C)C[C@H]1CO ZINC000639872791 357045248 /nfs/dbraw/zinc/04/52/48/357045248.db2.gz XJSSWKBCUYHWNP-QWRGUYRKSA-N 1 0 232.324 -1.008 20 0 BAADRO CCOC[C@H](O)C[N@@H+]1CCN(C)C[C@H]1CO ZINC000639872795 357045069 /nfs/dbraw/zinc/04/50/69/357045069.db2.gz XJSSWKBCUYHWNP-WDEREUQCSA-N 1 0 232.324 -1.008 20 0 BAADRO C[C@](O)(C[C@H](O)C[NH+]1C[C@H](O)[C@@H](O)C1)C1CC1 ZINC000639891091 357212371 /nfs/dbraw/zinc/21/23/71/357212371.db2.gz WICBIRVFLUYWHF-BJDJZHNGSA-N 1 0 245.319 -1.064 20 0 BAADRO C[C@@](O)(C[C@H](O)C[NH+]1C[C@H](O)[C@@H](O)C1)C1CC1 ZINC000639891093 357212156 /nfs/dbraw/zinc/21/21/56/357212156.db2.gz WICBIRVFLUYWHF-FIQHERPVSA-N 1 0 245.319 -1.064 20 0 BAADRO C[C@@](O)(C[C@@H](O)C[NH+]1C[C@H](O)[C@@H](O)C1)C1CC1 ZINC000639891095 357212203 /nfs/dbraw/zinc/21/22/03/357212203.db2.gz WICBIRVFLUYWHF-NOOOWODRSA-N 1 0 245.319 -1.064 20 0 BAADRO C[C@](O)(C[C@@H](O)C[NH+]1C[C@H](O)[C@@H](O)C1)C1CC1 ZINC000639891097 357212272 /nfs/dbraw/zinc/21/22/72/357212272.db2.gz WICBIRVFLUYWHF-RHYQMDGZSA-N 1 0 245.319 -1.064 20 0 BAADRO CNC(=O)C[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000639943631 357966716 /nfs/dbraw/zinc/96/67/16/357966716.db2.gz BXRXDDBDKIMDJL-GHMZBOCLSA-N 1 0 239.275 -1.283 20 0 BAADRO CNC(=O)C[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639943632 357967172 /nfs/dbraw/zinc/96/71/72/357967172.db2.gz BXRXDDBDKIMDJL-PHIMTYICSA-N 1 0 239.275 -1.283 20 0 BAADRO CNC(=O)C[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639943633 357967029 /nfs/dbraw/zinc/96/70/29/357967029.db2.gz BXRXDDBDKIMDJL-QWRGUYRKSA-N 1 0 239.275 -1.283 20 0 BAADRO C[C@H](C(N)=O)[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639944589 357968898 /nfs/dbraw/zinc/96/88/98/357968898.db2.gz MVVQOWHMSHEHNG-DADVEIPYSA-N 1 0 239.275 -1.155 20 0 BAADRO C[C@H](C(N)=O)[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000639944590 357968515 /nfs/dbraw/zinc/96/85/15/357968515.db2.gz MVVQOWHMSHEHNG-DIMCTHFVSA-N 1 0 239.275 -1.155 20 0 BAADRO C[C@@H](C(N)=O)[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639944591 357968501 /nfs/dbraw/zinc/96/85/01/357968501.db2.gz MVVQOWHMSHEHNG-NRZXQICZSA-N 1 0 239.275 -1.155 20 0 BAADRO C[C@H](C(N)=O)[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639944592 357968723 /nfs/dbraw/zinc/96/87/23/357968723.db2.gz MVVQOWHMSHEHNG-PFZYVWIYSA-N 1 0 239.275 -1.155 20 0 BAADRO COC[C@@](C)(CO)[NH2+]CC(=O)N1CCOCC1 ZINC000639946354 357967945 /nfs/dbraw/zinc/96/79/45/357967945.db2.gz AMXNQBLGAGLIJP-LLVKDONJSA-N 1 0 246.307 -1.168 20 0 BAADRO COC[C@](C)(CO)[NH2+]CC(=O)N1CCOCC1 ZINC000639946358 357967712 /nfs/dbraw/zinc/96/77/12/357967712.db2.gz AMXNQBLGAGLIJP-NSHDSACASA-N 1 0 246.307 -1.168 20 0 BAADRO C[C@]12C[N@H+](CC(N)=O)C[C@@]1(C)C(=O)NC2=O ZINC000639948437 357971982 /nfs/dbraw/zinc/97/19/82/357971982.db2.gz GAZKUGHJGQWJQL-AOOOYVTPSA-N 1 0 225.248 -1.544 20 0 BAADRO C[C@]12C[NH+](CC(N)=O)C[C@]1(C)C(=O)NC2=O ZINC000639948442 357972106 /nfs/dbraw/zinc/97/21/06/357972106.db2.gz GAZKUGHJGQWJQL-NXEZZACHSA-N 1 0 225.248 -1.544 20 0 BAADRO C[C@@]12C[NH+](CC(N)=O)C[C@@]1(C)C(=O)NC2=O ZINC000639948445 357972293 /nfs/dbraw/zinc/97/22/93/357972293.db2.gz GAZKUGHJGQWJQL-UWVGGRQHSA-N 1 0 225.248 -1.544 20 0 BAADRO C[C@]12C[N@H+](CCO)C[C@@]1(C)C(=O)NC2=O ZINC000639952887 357975098 /nfs/dbraw/zinc/97/50/98/357975098.db2.gz LKJPMOJUDXGFBD-AOOOYVTPSA-N 1 0 212.249 -1.037 20 0 BAADRO C[C@]12C[NH+](CCO)C[C@]1(C)C(=O)NC2=O ZINC000639952888 357974415 /nfs/dbraw/zinc/97/44/15/357974415.db2.gz LKJPMOJUDXGFBD-NXEZZACHSA-N 1 0 212.249 -1.037 20 0 BAADRO C[C@@]12C[NH+](CCO)C[C@@]1(C)C(=O)NC2=O ZINC000639952889 357974918 /nfs/dbraw/zinc/97/49/18/357974918.db2.gz LKJPMOJUDXGFBD-UWVGGRQHSA-N 1 0 212.249 -1.037 20 0 BAADRO COC[C@@](C)(CO)[NH2+]CCOCCO ZINC000639954971 357987458 /nfs/dbraw/zinc/98/74/58/357987458.db2.gz IFJIRKWQFUKKNB-SECBINFHSA-N 1 0 207.270 -1.018 20 0 BAADRO COC[C@](C)(CO)[NH2+]CCOCCO ZINC000639954972 357987207 /nfs/dbraw/zinc/98/72/07/357987207.db2.gz IFJIRKWQFUKKNB-VIFPVBQESA-N 1 0 207.270 -1.018 20 0 BAADRO COC[C@@](C)(CO)[NH2+]CCNS(C)(=O)=O ZINC000639955605 357977295 /nfs/dbraw/zinc/97/72/95/357977295.db2.gz QHAWSVDQPGGCOG-MRVPVSSYSA-N 1 0 240.325 -1.477 20 0 BAADRO COC[C@](C)(CO)[NH2+]CCNS(C)(=O)=O ZINC000639955606 357977519 /nfs/dbraw/zinc/97/75/19/357977519.db2.gz QHAWSVDQPGGCOG-QMMMGPOBSA-N 1 0 240.325 -1.477 20 0 BAADRO CNS(=O)(=O)CC[NH2+][C@](C)(CO)COC ZINC000639958446 357983005 /nfs/dbraw/zinc/98/30/05/357983005.db2.gz SOGBASUTGJNICN-MRVPVSSYSA-N 1 0 240.325 -1.477 20 0 BAADRO CNS(=O)(=O)CC[NH2+][C@@](C)(CO)COC ZINC000639958447 357982924 /nfs/dbraw/zinc/98/29/24/357982924.db2.gz SOGBASUTGJNICN-QMMMGPOBSA-N 1 0 240.325 -1.477 20 0 BAADRO COC[C@](C)(CO)[NH2+]CCN1CCNC1=O ZINC000639959144 357983717 /nfs/dbraw/zinc/98/37/17/357983717.db2.gz YWWWJEJNBBCRJH-JTQLQIEISA-N 1 0 231.296 -1.001 20 0 BAADRO COC[C@@](C)(CO)[NH2+]CCN1CCNC1=O ZINC000639959145 357984032 /nfs/dbraw/zinc/98/40/32/357984032.db2.gz YWWWJEJNBBCRJH-SNVBAGLBSA-N 1 0 231.296 -1.001 20 0 BAADRO Cc1nn(CC(=O)NCC[NH+]2CCC2)c(=O)o1 ZINC000640003253 358045815 /nfs/dbraw/zinc/04/58/15/358045815.db2.gz OXXPSJKDPFWUMT-UHFFFAOYSA-N 1 0 240.263 -1.033 20 0 BAADRO CO[C@H]1C[N@H+](CC(N)=O)[C@](C)(CO)C1 ZINC000640009174 358075136 /nfs/dbraw/zinc/07/51/36/358075136.db2.gz MULKCDVCHRUMHF-APPZFPTMSA-N 1 0 202.254 -1.057 20 0 BAADRO CO[C@@H]1C[N@H+](CC(N)=O)[C@](C)(CO)C1 ZINC000640009371 358075025 /nfs/dbraw/zinc/07/50/25/358075025.db2.gz MULKCDVCHRUMHF-CBAPKCEASA-N 1 0 202.254 -1.057 20 0 BAADRO CO[C@@H]1C[N@H+](CC(N)=O)[C@@](C)(CO)C1 ZINC000640009372 358075224 /nfs/dbraw/zinc/07/52/24/358075224.db2.gz MULKCDVCHRUMHF-IONNQARKSA-N 1 0 202.254 -1.057 20 0 BAADRO CO[C@H]1C[N@H+](CC(N)=O)[C@@](C)(CO)C1 ZINC000640009373 358075246 /nfs/dbraw/zinc/07/52/46/358075246.db2.gz MULKCDVCHRUMHF-VXNVDRBHSA-N 1 0 202.254 -1.057 20 0 BAADRO CNS(=O)(=O)CCC[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640474587 361243212 /nfs/dbraw/zinc/24/32/12/361243212.db2.gz BKFKTHBNJCTABI-IUCAKERBSA-N 1 0 234.321 -1.008 20 0 BAADRO CNS(=O)(=O)CCC[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640474588 361242450 /nfs/dbraw/zinc/24/24/50/361242450.db2.gz BKFKTHBNJCTABI-RKDXNWHRSA-N 1 0 234.321 -1.008 20 0 BAADRO CN1CCN(C(=O)C[N@@H+]2C[C@@H]3C[C@]3(O)C2)CC1 ZINC000640475475 361248017 /nfs/dbraw/zinc/24/80/17/361248017.db2.gz GPKHIWSZJHVLBE-JQWIXIFHSA-N 1 0 239.319 -1.173 20 0 BAADRO CN1CCN(C(=O)C[N@@H+]2C[C@H]3C[C@@]3(O)C2)CC1 ZINC000640475479 361247259 /nfs/dbraw/zinc/24/72/59/361247259.db2.gz GPKHIWSZJHVLBE-ZYHUDNBSSA-N 1 0 239.319 -1.173 20 0 BAADRO O=C1CNC(=O)N1CCC[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640475743 361248766 /nfs/dbraw/zinc/24/87/66/361248766.db2.gz HUGUBPQNBQRDDF-KWQFWETISA-N 1 0 239.275 -1.005 20 0 BAADRO O=C1CNC(=O)N1CCC[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640475745 361249386 /nfs/dbraw/zinc/24/93/86/361249386.db2.gz HUGUBPQNBQRDDF-LDYMZIIASA-N 1 0 239.275 -1.005 20 0 BAADRO O[C@H](CN1CCOCC1)C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640476616 361251345 /nfs/dbraw/zinc/25/13/45/361251345.db2.gz KBCFDPKFLMIWJU-IJLUTSLNSA-N 1 0 242.319 -1.254 20 0 BAADRO O[C@H](CN1CCOCC1)C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640476618 361251188 /nfs/dbraw/zinc/25/11/88/361251188.db2.gz KBCFDPKFLMIWJU-TUAOUCFPSA-N 1 0 242.319 -1.254 20 0 BAADRO C[C@@H]1NC(=O)N(CC[N@@H+]2C[C@@H]3C[C@]3(O)C2)C1=O ZINC000640486251 361270932 /nfs/dbraw/zinc/27/09/32/361270932.db2.gz LIXDOIWJOKKMFN-LAEOZQHASA-N 1 0 239.275 -1.007 20 0 BAADRO C[C@@H]1NC(=O)N(CC[N@@H+]2C[C@H]3C[C@@]3(O)C2)C1=O ZINC000640486256 361271037 /nfs/dbraw/zinc/27/10/37/361271037.db2.gz LIXDOIWJOKKMFN-VAOFZXAKSA-N 1 0 239.275 -1.007 20 0 BAADRO CN(C)S(=O)(=O)CC[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640487210 361278685 /nfs/dbraw/zinc/27/86/85/361278685.db2.gz QCWHWGHZXQLHAY-IUCAKERBSA-N 1 0 234.321 -1.056 20 0 BAADRO CN(C)S(=O)(=O)CC[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640487211 361278975 /nfs/dbraw/zinc/27/89/75/361278975.db2.gz QCWHWGHZXQLHAY-RKDXNWHRSA-N 1 0 234.321 -1.056 20 0 BAADRO COCCN(C)C[C@H](O)C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640488592 361281716 /nfs/dbraw/zinc/28/17/16/361281716.db2.gz UXTBTEFQHVLJPY-GRYCIOLGSA-N 1 0 244.335 -1.008 20 0 BAADRO COCCN(C)C[C@H](O)C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640488596 361281610 /nfs/dbraw/zinc/28/16/10/361281610.db2.gz UXTBTEFQHVLJPY-SRVKXCTJSA-N 1 0 244.335 -1.008 20 0 BAADRO CN1CC(=O)N(CC[N@@H+]2C[C@@H]3C[C@]3(O)C2)C1=O ZINC000640489041 361283007 /nfs/dbraw/zinc/28/30/07/361283007.db2.gz VUCOYWJYEPEXIG-KWQFWETISA-N 1 0 239.275 -1.053 20 0 BAADRO CN1CC(=O)N(CC[N@@H+]2C[C@H]3C[C@@]3(O)C2)C1=O ZINC000640489044 361282762 /nfs/dbraw/zinc/28/27/62/361282762.db2.gz VUCOYWJYEPEXIG-LDYMZIIASA-N 1 0 239.275 -1.053 20 0 BAADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640489544 361283691 /nfs/dbraw/zinc/28/36/91/361283691.db2.gz YOSLMVDVMZNOHQ-QEYWKRMJSA-N 1 0 247.316 -1.135 20 0 BAADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640489546 361284344 /nfs/dbraw/zinc/28/43/44/361284344.db2.gz YOSLMVDVMZNOHQ-UTINFBMNSA-N 1 0 247.316 -1.135 20 0 BAADRO C[NH+](C)CCNc1cc(C(N)=O)ncn1 ZINC000641252981 412162179 /nfs/dbraw/zinc/16/21/79/412162179.db2.gz SXLDEPNHLVPRNE-UHFFFAOYSA-N 1 0 209.253 -0.451 20 0 BAADRO Cn1nnn(CCCN2CC[NH+](C)CC2)c1=O ZINC000641519528 362476110 /nfs/dbraw/zinc/47/61/10/362476110.db2.gz INXDZHVKWFOERB-UHFFFAOYSA-N 1 0 240.311 -1.386 20 0 BAADRO Cn1nnn(CC(=O)NCCC[NH+](C)C)c1=O ZINC000641519883 362476907 /nfs/dbraw/zinc/47/69/07/362476907.db2.gz WRKWRYASBJRHFZ-UHFFFAOYSA-N 1 0 242.283 -1.955 20 0 BAADRO C[C@@H]1CN(CCCS(N)(=O)=O)CC[NH2+]1 ZINC000641797144 362741691 /nfs/dbraw/zinc/74/16/91/362741691.db2.gz VMLHBZBMJJKFAH-MRVPVSSYSA-N 1 0 221.326 -1.041 20 0 BAADRO C[C@H]1CN(CCCS(N)(=O)=O)CC[NH2+]1 ZINC000641797145 362741655 /nfs/dbraw/zinc/74/16/55/362741655.db2.gz VMLHBZBMJJKFAH-QMMMGPOBSA-N 1 0 221.326 -1.041 20 0 BAADRO C[C@@H]1CN(CCCS(N)(=O)=O)C[C@H]1[NH3+] ZINC000641799069 362746186 /nfs/dbraw/zinc/74/61/86/362746186.db2.gz JGFXLVXJTXONJT-HTQZYQBOSA-N 1 0 221.326 -1.056 20 0 BAADRO COC[C@@H](C(N)=O)N(C)CCN1CC[NH2+]CC1 ZINC000641804361 362761495 /nfs/dbraw/zinc/76/14/95/362761495.db2.gz HXWZIYXNIGDTLU-JTQLQIEISA-N 1 0 244.339 -1.676 20 0 BAADRO CCN(CC[NH3+])CCCS(N)(=O)=O ZINC000641817965 362769685 /nfs/dbraw/zinc/76/96/85/362769685.db2.gz ALKNTJCGAJQQDZ-UHFFFAOYSA-N 1 0 209.315 -1.054 20 0 BAADRO [NH3+]CCN(CCc1cn[nH]c1)C[C@H](O)CO ZINC000641818409 362770399 /nfs/dbraw/zinc/77/03/99/362770399.db2.gz DQFWVSOKPFRTII-JTQLQIEISA-N 1 0 228.296 -1.434 20 0 BAADRO [NH3+]CCN(CCc1cn[nH]c1)C[C@@H](O)CO ZINC000641818410 362770089 /nfs/dbraw/zinc/77/00/89/362770089.db2.gz DQFWVSOKPFRTII-SNVBAGLBSA-N 1 0 228.296 -1.434 20 0 BAADRO O=C(NC[C@H]1CCCCO1)C(=O)NC1C[NH2+]C1 ZINC000642114222 362868052 /nfs/dbraw/zinc/86/80/52/362868052.db2.gz YBNNPLYVYSNLNR-SECBINFHSA-N 1 0 241.291 -1.240 20 0 BAADRO O=C(NC[C@@H]1CCCCO1)C(=O)NC1C[NH2+]C1 ZINC000642114223 362868077 /nfs/dbraw/zinc/86/80/77/362868077.db2.gz YBNNPLYVYSNLNR-VIFPVBQESA-N 1 0 241.291 -1.240 20 0 BAADRO CCN1CCN(C(=O)C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000642910784 384157292 /nfs/dbraw/zinc/15/72/92/384157292.db2.gz NWMIJXQKIXVYPW-SECBINFHSA-N 1 0 242.323 -1.386 20 0 BAADRO CCN1CCN(C(=O)C(=O)NC[C@H](C)[NH3+])CC1 ZINC000642910785 384156861 /nfs/dbraw/zinc/15/68/61/384156861.db2.gz NWMIJXQKIXVYPW-VIFPVBQESA-N 1 0 242.323 -1.386 20 0 BAADRO C[C@@H]1CN(C(=O)C(=O)NC2C[NH2+]C2)CCO1 ZINC000642924564 384325269 /nfs/dbraw/zinc/32/52/69/384325269.db2.gz CESUXZGEJLAXOC-SSDOTTSWSA-N 1 0 227.264 -1.678 20 0 BAADRO C[C@H]1CN(C(=O)C(=O)NC2C[NH2+]C2)CCO1 ZINC000642924565 384325421 /nfs/dbraw/zinc/32/54/21/384325421.db2.gz CESUXZGEJLAXOC-ZETCQYMHSA-N 1 0 227.264 -1.678 20 0 BAADRO COC[C@H]1CCCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000642926341 384341280 /nfs/dbraw/zinc/34/12/80/384341280.db2.gz KVYQYHZWFWAIKW-SECBINFHSA-N 1 0 241.291 -1.288 20 0 BAADRO COC[C@@H]1CCCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000642926342 384341470 /nfs/dbraw/zinc/34/14/70/384341470.db2.gz KVYQYHZWFWAIKW-VIFPVBQESA-N 1 0 241.291 -1.288 20 0 BAADRO CCN1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000642926729 384341738 /nfs/dbraw/zinc/34/17/38/384341738.db2.gz BXBPPTFYGKDARY-UHFFFAOYSA-N 1 0 240.307 -1.762 20 0 BAADRO CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000643706605 398138007 /nfs/dbraw/zinc/13/80/07/398138007.db2.gz BUBSEUZTCFPZMZ-PRJMDXOYSA-N 1 0 247.320 -1.516 20 0 BAADRO CS(=O)(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000643706606 398137862 /nfs/dbraw/zinc/13/78/62/398137862.db2.gz BUBSEUZTCFPZMZ-RNJXMRFFSA-N 1 0 247.320 -1.516 20 0 BAADRO C[NH+](C)CCNC(=O)c1nc2n(n1)CCCN2 ZINC000643770580 385182663 /nfs/dbraw/zinc/18/26/63/385182663.db2.gz RRDPGIFEJCDBNJ-UHFFFAOYSA-N 1 0 238.295 -1.357 20 0 BAADRO NC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@H]2[NH3+])C1 ZINC000643794428 384570795 /nfs/dbraw/zinc/57/07/95/384570795.db2.gz JWKOEHIXGRAWBO-DSYKOEDSSA-N 1 0 212.253 -1.397 20 0 BAADRO NC(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@H]2[NH3+])C1 ZINC000643794429 384570365 /nfs/dbraw/zinc/57/03/65/384570365.db2.gz JWKOEHIXGRAWBO-LYFYHCNISA-N 1 0 212.253 -1.397 20 0 BAADRO CN1C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC[C@@H]21 ZINC000643800595 385101652 /nfs/dbraw/zinc/10/16/52/385101652.db2.gz IYOSIXGUIIMAKK-XAVMHZPKSA-N 1 0 238.291 -1.042 20 0 BAADRO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@H]1C(N)=O ZINC000643800700 385100478 /nfs/dbraw/zinc/10/04/78/385100478.db2.gz VWDLPJZGAQFIKK-XUTVFYLZSA-N 1 0 211.265 -1.087 20 0 BAADRO Cn1nncc1CN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000643885352 384730777 /nfs/dbraw/zinc/73/07/77/384730777.db2.gz QTXHDGDQOPDTGN-UWVGGRQHSA-N 1 0 225.296 -1.078 20 0 BAADRO Cn1cnn(CC(=O)N2CCC[C@H]([NH3+])C2)c1=O ZINC000643974139 385336852 /nfs/dbraw/zinc/33/68/52/385336852.db2.gz DRNMXTGXPGCTQW-QMMMGPOBSA-N 1 0 239.279 -1.469 20 0 BAADRO CC1(C)C[NH2+][C@@H]1C(=O)NCCNS(C)(=O)=O ZINC000644042456 385393063 /nfs/dbraw/zinc/39/30/63/385393063.db2.gz ZXTZSMZNGFZYSZ-SSDOTTSWSA-N 1 0 249.336 -1.350 20 0 BAADRO CC1(C)C[NH2+][C@H]1C(=O)NCCNS(C)(=O)=O ZINC000644042457 385392730 /nfs/dbraw/zinc/39/27/30/385392730.db2.gz ZXTZSMZNGFZYSZ-ZETCQYMHSA-N 1 0 249.336 -1.350 20 0 BAADRO CN(CCC[NH3+])C(=O)Cn1ncn(C)c1=O ZINC000644066520 385415243 /nfs/dbraw/zinc/41/52/43/385415243.db2.gz BGRKOMAWJSFDGW-UHFFFAOYSA-N 1 0 227.268 -1.611 20 0 BAADRO COCC(=O)N(C)CC(=O)N(C)CCC[NH3+] ZINC000644066688 385415545 /nfs/dbraw/zinc/41/55/45/385415545.db2.gz LCKVRTBIOIYCJZ-UHFFFAOYSA-N 1 0 231.296 -1.102 20 0 BAADRO Cn1cnn(CC(=O)NCC[NH2+]C2CC2)c1=O ZINC000644083681 385433487 /nfs/dbraw/zinc/43/34/87/385433487.db2.gz BVTROPYLRQEABC-UHFFFAOYSA-N 1 0 239.279 -1.550 20 0 BAADRO COCC(=O)N(C)CC(=O)NCC[NH2+]C1CC1 ZINC000644084022 385433428 /nfs/dbraw/zinc/43/34/28/385433428.db2.gz ZUCWIFZCOKHUQR-UHFFFAOYSA-N 1 0 243.307 -1.041 20 0 BAADRO O=C(CNC(=O)c1cocn1)N1CC[NH2+]CC1 ZINC000644097891 385469363 /nfs/dbraw/zinc/46/93/63/385469363.db2.gz WOUAVGJFPNVMHY-UHFFFAOYSA-N 1 0 238.247 -1.164 20 0 BAADRO C[NH2+]C[C@@H](C)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000644098337 385471132 /nfs/dbraw/zinc/47/11/32/385471132.db2.gz QYVLKGUCJGIVOZ-SECBINFHSA-N 1 0 242.323 -1.610 20 0 BAADRO C[NH2+]C[C@H](C)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000644098338 385471301 /nfs/dbraw/zinc/47/13/01/385471301.db2.gz QYVLKGUCJGIVOZ-VIFPVBQESA-N 1 0 242.323 -1.610 20 0 BAADRO CNC(=O)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000644484935 384908191 /nfs/dbraw/zinc/90/81/91/384908191.db2.gz YZTNEIMQTDULEG-HTQZYQBOSA-N 1 0 211.265 -1.105 20 0 BAADRO CNC(=O)C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000644484942 384909215 /nfs/dbraw/zinc/90/92/15/384909215.db2.gz YZTNEIMQTDULEG-JGVFFNPUSA-N 1 0 211.265 -1.105 20 0 BAADRO CNC(=O)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000644484943 384908453 /nfs/dbraw/zinc/90/84/53/384908453.db2.gz YZTNEIMQTDULEG-SFYZADRCSA-N 1 0 211.265 -1.105 20 0 BAADRO CNC(=O)C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000644484945 384907372 /nfs/dbraw/zinc/90/73/72/384907372.db2.gz YZTNEIMQTDULEG-YUMQZZPRSA-N 1 0 211.265 -1.105 20 0 BAADRO CC[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O ZINC000644564241 384973224 /nfs/dbraw/zinc/97/32/24/384973224.db2.gz GHANTSVNWQREKF-SSDOTTSWSA-N 1 0 215.253 -1.101 20 0 BAADRO CCOC[C@@H](O)C[NH2+]CCN1CCNC(=O)C1 ZINC000644618481 385010270 /nfs/dbraw/zinc/01/02/70/385010270.db2.gz OEBCHJCDBFJGTI-JTQLQIEISA-N 1 0 245.323 -1.595 20 0 BAADRO CCOC[C@H](O)C[NH2+]CCN1CCNC(=O)C1 ZINC000644618484 385011578 /nfs/dbraw/zinc/01/15/78/385011578.db2.gz OEBCHJCDBFJGTI-SNVBAGLBSA-N 1 0 245.323 -1.595 20 0 BAADRO CC[C@@H](O)C[NH2+]CCN1CCNC(=O)C1 ZINC000644618565 385009143 /nfs/dbraw/zinc/00/91/43/385009143.db2.gz UVYQSTHTBKOAQM-SECBINFHSA-N 1 0 215.297 -1.221 20 0 BAADRO C[C@@H](O)C[NH2+]CCN1CCNC(=O)C1 ZINC000644618569 385009323 /nfs/dbraw/zinc/00/93/23/385009323.db2.gz VONFSFNLDQRGIJ-MRVPVSSYSA-N 1 0 201.270 -1.611 20 0 BAADRO CC[C@@H](O)C[NH2+]CCS(=O)(=O)NC ZINC000644628877 385023747 /nfs/dbraw/zinc/02/37/47/385023747.db2.gz ZMSISZKKNBHBBQ-SSDOTTSWSA-N 1 0 210.299 -1.104 20 0 BAADRO CS(=O)(=O)NC1CC([NH2+]CCC(N)=O)C1 ZINC000644641564 385046743 /nfs/dbraw/zinc/04/67/43/385046743.db2.gz WOSVGIWRXAAOCB-UHFFFAOYSA-N 1 0 235.309 -1.468 20 0 BAADRO C[N@@H+]1C[C@H]2CCN(Cc3nc(N)nc(N)n3)[C@@H]2C1 ZINC000644730836 385252142 /nfs/dbraw/zinc/25/21/42/385252142.db2.gz QMUZJRBQTJXYAJ-HTQZYQBOSA-N 1 0 249.322 -1.167 20 0 BAADRO C[N@@H+]1C[C@@H]2CCN(Cc3nc(N)nc(N)n3)[C@@H]2C1 ZINC000644730853 385253669 /nfs/dbraw/zinc/25/36/69/385253669.db2.gz QMUZJRBQTJXYAJ-JGVFFNPUSA-N 1 0 249.322 -1.167 20 0 BAADRO C[N@@H+]1C[C@H]2CCN(Cc3nc(N)nc(N)n3)[C@H]2C1 ZINC000644730856 385252956 /nfs/dbraw/zinc/25/29/56/385252956.db2.gz QMUZJRBQTJXYAJ-SFYZADRCSA-N 1 0 249.322 -1.167 20 0 BAADRO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2nc(N)nc(N)n2)C1 ZINC000644730858 385253440 /nfs/dbraw/zinc/25/34/40/385253440.db2.gz QMUZJRBQTJXYAJ-YUMQZZPRSA-N 1 0 249.322 -1.167 20 0 BAADRO C[N@@H+]1C[C@H]2CCN(C(=O)Cn3cnnn3)[C@H]2C1 ZINC000644822284 385644785 /nfs/dbraw/zinc/64/47/85/385644785.db2.gz QSIHIMXBXYKPLK-BDAKNGLRSA-N 1 0 236.279 -1.164 20 0 BAADRO C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC000644822292 385644432 /nfs/dbraw/zinc/64/44/32/385644432.db2.gz QSIHIMXBXYKPLK-DTWKUNHWSA-N 1 0 236.279 -1.164 20 0 BAADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)Cn2cnnn2)C1 ZINC000644822296 385644626 /nfs/dbraw/zinc/64/46/26/385644626.db2.gz QSIHIMXBXYKPLK-IUCAKERBSA-N 1 0 236.279 -1.164 20 0 BAADRO C[N@@H+]1C[C@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC000644822297 385644480 /nfs/dbraw/zinc/64/44/80/385644480.db2.gz QSIHIMXBXYKPLK-RKDXNWHRSA-N 1 0 236.279 -1.164 20 0 BAADRO Nc1nc(NC(CO)CO)c2c([nH+]1)CCCC2 ZINC000645179976 411978374 /nfs/dbraw/zinc/97/83/74/411978374.db2.gz JCOBMXSTGWDIEA-UHFFFAOYSA-N 1 0 238.291 -0.875 20 0 BAADRO Nc1nc(NC[C@@H](O)CO)c2c([nH+]1)CCCC2 ZINC000645194651 411978733 /nfs/dbraw/zinc/97/87/33/411978733.db2.gz RIWQQDORLSPVNR-SSDOTTSWSA-N 1 0 238.291 -0.875 20 0 BAADRO Nc1nc(NC[C@H](O)CO)c2c([nH+]1)CCCC2 ZINC000645194652 411979224 /nfs/dbraw/zinc/97/92/24/411979224.db2.gz RIWQQDORLSPVNR-ZETCQYMHSA-N 1 0 238.291 -0.875 20 0 BAADRO COCCNC(=O)CNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645231885 385694662 /nfs/dbraw/zinc/69/46/62/385694662.db2.gz LSHVLBYUIDUMKN-SECBINFHSA-N 1 0 243.307 -1.137 20 0 BAADRO COCCNC(=O)CNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645231888 385693469 /nfs/dbraw/zinc/69/34/69/385693469.db2.gz LSHVLBYUIDUMKN-VIFPVBQESA-N 1 0 243.307 -1.137 20 0 BAADRO CN(CCCNC(=O)[C@H]1CC[NH2+]1)S(C)(=O)=O ZINC000645480763 387044642 /nfs/dbraw/zinc/04/46/42/387044642.db2.gz BABYBZRWMTWDSM-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO CCNC(=O)CN(C)C(=O)CCOC1C[NH2+]C1 ZINC000645613404 387907937 /nfs/dbraw/zinc/90/79/37/387907937.db2.gz QSIDVFPWTQLKAU-UHFFFAOYSA-N 1 0 243.307 -1.041 20 0 BAADRO [NH3+]CCOCC(=O)NCCNc1cnccn1 ZINC000645733243 412299789 /nfs/dbraw/zinc/29/97/89/412299789.db2.gz AUJQZWAQXLPVMB-UHFFFAOYSA-N 1 0 239.279 -1.020 20 0 BAADRO CC1(C)C[NH2+][C@@H]1C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000645812710 387981429 /nfs/dbraw/zinc/98/14/29/387981429.db2.gz BBXGNIYQZFBSAO-HTQZYQBOSA-N 1 0 241.291 -1.303 20 0 BAADRO CC1(C)C[NH2+][C@@H]1C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000645812711 387981477 /nfs/dbraw/zinc/98/14/77/387981477.db2.gz BBXGNIYQZFBSAO-JGVFFNPUSA-N 1 0 241.291 -1.303 20 0 BAADRO CC1(C)C[NH2+][C@H]1C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000645812712 387981872 /nfs/dbraw/zinc/98/18/72/387981872.db2.gz BBXGNIYQZFBSAO-SFYZADRCSA-N 1 0 241.291 -1.303 20 0 BAADRO CC1(C)C[NH2+][C@H]1C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000645812713 387981308 /nfs/dbraw/zinc/98/13/08/387981308.db2.gz BBXGNIYQZFBSAO-YUMQZZPRSA-N 1 0 241.291 -1.303 20 0 BAADRO NC(=O)[C@H]1CN(C(=O)CC2([NH3+])CCC2)CCO1 ZINC000645812946 387981742 /nfs/dbraw/zinc/98/17/42/387981742.db2.gz LPRGZWWBBNOJHC-MRVPVSSYSA-N 1 0 241.291 -1.029 20 0 BAADRO NC(=O)[C@@H]1CN(C(=O)CC2([NH3+])CCC2)CCO1 ZINC000645812947 387981360 /nfs/dbraw/zinc/98/13/60/387981360.db2.gz LPRGZWWBBNOJHC-QMMMGPOBSA-N 1 0 241.291 -1.029 20 0 BAADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(C)(=O)=O ZINC000645834198 387707959 /nfs/dbraw/zinc/70/79/59/387707959.db2.gz FJQVZBOHOFMEKX-MRVPVSSYSA-N 1 0 249.336 -1.002 20 0 BAADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(C)(=O)=O ZINC000645834199 387707628 /nfs/dbraw/zinc/70/76/28/387707628.db2.gz FJQVZBOHOFMEKX-QMMMGPOBSA-N 1 0 249.336 -1.002 20 0 BAADRO CN(CCN1CCOCC1)C(=O)COCC[NH3+] ZINC000645887187 387987205 /nfs/dbraw/zinc/98/72/05/387987205.db2.gz YSEGOPPXVOHIFD-UHFFFAOYSA-N 1 0 245.323 -1.248 20 0 BAADRO CC(C)[C@H]1C(=O)NCCN1C(=O)COCC[NH3+] ZINC000645922199 387781896 /nfs/dbraw/zinc/78/18/96/387781896.db2.gz IOWIZYJDIAFLMM-JTQLQIEISA-N 1 0 243.307 -1.055 20 0 BAADRO CC(C)[C@@H]1C(=O)NCCN1C(=O)COCC[NH3+] ZINC000645922200 387781989 /nfs/dbraw/zinc/78/19/89/387781989.db2.gz IOWIZYJDIAFLMM-SNVBAGLBSA-N 1 0 243.307 -1.055 20 0 BAADRO C[C@H]1COCCN1CCNC(=O)COCC[NH3+] ZINC000645932756 388238769 /nfs/dbraw/zinc/23/87/69/388238769.db2.gz GGBZLORGVGEBKD-JTQLQIEISA-N 1 0 245.323 -1.201 20 0 BAADRO C[C@@H]1COCCN1CCNC(=O)COCC[NH3+] ZINC000645932757 388238708 /nfs/dbraw/zinc/23/87/08/388238708.db2.gz GGBZLORGVGEBKD-SNVBAGLBSA-N 1 0 245.323 -1.201 20 0 BAADRO CC1(C(N)=O)C[NH+](CCN2C(=O)CCC2=O)C1 ZINC000645957372 388275208 /nfs/dbraw/zinc/27/52/08/388275208.db2.gz HAOJVCLPSFMBOG-UHFFFAOYSA-N 1 0 239.275 -1.057 20 0 BAADRO CC1(C(N)=O)C[NH+](CCCS(N)(=O)=O)C1 ZINC000645957651 388275430 /nfs/dbraw/zinc/27/54/30/388275430.db2.gz PFYYYAONGSPDRZ-UHFFFAOYSA-N 1 0 235.309 -1.528 20 0 BAADRO NC(=O)[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000646023732 388126220 /nfs/dbraw/zinc/12/62/20/388126220.db2.gz APRHZNOHXMFNIV-BDAKNGLRSA-N 1 0 241.291 -1.424 20 0 BAADRO NC(=O)[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000646023733 388126157 /nfs/dbraw/zinc/12/61/57/388126157.db2.gz APRHZNOHXMFNIV-DTWKUNHWSA-N 1 0 241.291 -1.424 20 0 BAADRO NC(=O)[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000646023734 388126339 /nfs/dbraw/zinc/12/63/39/388126339.db2.gz APRHZNOHXMFNIV-IUCAKERBSA-N 1 0 241.291 -1.424 20 0 BAADRO NC(=O)[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000646023735 388126351 /nfs/dbraw/zinc/12/63/51/388126351.db2.gz APRHZNOHXMFNIV-RKDXNWHRSA-N 1 0 241.291 -1.424 20 0 BAADRO CO[C@@H]1COC[C@H]1[NH2+]CC(=O)N1CCNC1=O ZINC000646042022 388130765 /nfs/dbraw/zinc/13/07/65/388130765.db2.gz HINQMYFADKTQMP-HTQZYQBOSA-N 1 0 243.263 -1.458 20 0 BAADRO CO[C@@H]1COC[C@H]1[NH2+]CCCS(N)(=O)=O ZINC000646042705 388131088 /nfs/dbraw/zinc/13/10/88/388131088.db2.gz XGDMAAGCCBSDHK-HTQZYQBOSA-N 1 0 238.309 -1.332 20 0 BAADRO Cn1c2ncn(CC3C[NH2+]C3)c2c(=O)n(C)c1=O ZINC000646064979 388135516 /nfs/dbraw/zinc/13/55/16/388135516.db2.gz WHNLZFYODCWOON-UHFFFAOYSA-N 1 0 249.274 -1.347 20 0 BAADRO COC[C@H]1CN(C(=O)COCC[NH3+])CCO1 ZINC000646075039 388137329 /nfs/dbraw/zinc/13/73/29/388137329.db2.gz RKWVMZZSCIBEHJ-SECBINFHSA-N 1 0 232.280 -1.165 20 0 BAADRO COC[C@@H]1CN(C(=O)COCC[NH3+])CCO1 ZINC000646075040 388137617 /nfs/dbraw/zinc/13/76/17/388137617.db2.gz RKWVMZZSCIBEHJ-VIFPVBQESA-N 1 0 232.280 -1.165 20 0 BAADRO [NH3+]CCOCC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000646152636 388157275 /nfs/dbraw/zinc/15/72/75/388157275.db2.gz XHESGLFFFWUKIQ-MRVPVSSYSA-N 1 0 241.291 -1.159 20 0 BAADRO [NH3+]CCOCC(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000646152637 388157321 /nfs/dbraw/zinc/15/73/21/388157321.db2.gz XHESGLFFFWUKIQ-QMMMGPOBSA-N 1 0 241.291 -1.159 20 0 BAADRO [NH3+]CCOCC(=O)N1CCN(C2CC2)C(=O)C1 ZINC000646153618 388157254 /nfs/dbraw/zinc/15/72/54/388157254.db2.gz PKVRBTVROXAMCB-UHFFFAOYSA-N 1 0 241.291 -1.205 20 0 BAADRO COC[C@H]1CCCN1C(=O)CNC(=O)C[NH3+] ZINC000646157274 388157934 /nfs/dbraw/zinc/15/79/34/388157934.db2.gz MUCUSOFZCAEJDL-MRVPVSSYSA-N 1 0 229.280 -1.301 20 0 BAADRO COC[C@@H]1CCCN1C(=O)CNC(=O)C[NH3+] ZINC000646157275 388158006 /nfs/dbraw/zinc/15/80/06/388158006.db2.gz MUCUSOFZCAEJDL-QMMMGPOBSA-N 1 0 229.280 -1.301 20 0 BAADRO CO[C@@H]1COC[C@H]1NC(=O)NCC1C[NH2+]C1 ZINC000646203159 388163648 /nfs/dbraw/zinc/16/36/48/388163648.db2.gz XGKRABQORFLLFP-RKDXNWHRSA-N 1 0 229.280 -1.081 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)C(C)(C)C(N)=O ZINC000646208999 388164729 /nfs/dbraw/zinc/16/47/29/388164729.db2.gz RGLCJMXPJDNRAA-SSDOTTSWSA-N 1 0 231.296 -1.463 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)C(C)(C)C(N)=O ZINC000646209000 388164599 /nfs/dbraw/zinc/16/45/99/388164599.db2.gz RGLCJMXPJDNRAA-ZETCQYMHSA-N 1 0 231.296 -1.463 20 0 BAADRO Cn1nncc1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000646210004 388164524 /nfs/dbraw/zinc/16/45/24/388164524.db2.gz TVAHPZXIACTVRX-SSDOTTSWSA-N 1 0 227.268 -1.533 20 0 BAADRO Cn1nncc1C(=O)N[C@H](CO)C[NH+](C)C ZINC000646210005 388164348 /nfs/dbraw/zinc/16/43/48/388164348.db2.gz TVAHPZXIACTVRX-ZETCQYMHSA-N 1 0 227.268 -1.533 20 0 BAADRO CCCC(=O)NCC(=O)N[C@@H](CO)C[NH+](C)C ZINC000646211072 388165165 /nfs/dbraw/zinc/16/51/65/388165165.db2.gz QLGMTIRZBQSAPM-SECBINFHSA-N 1 0 245.323 -1.059 20 0 BAADRO CCCC(=O)NCC(=O)N[C@H](CO)C[NH+](C)C ZINC000646211073 388165215 /nfs/dbraw/zinc/16/52/15/388165215.db2.gz QLGMTIRZBQSAPM-VIFPVBQESA-N 1 0 245.323 -1.059 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1COCCO1 ZINC000646211164 388165116 /nfs/dbraw/zinc/16/51/16/388165116.db2.gz VDYWFKBAFLCBPG-BDAKNGLRSA-N 1 0 232.280 -1.560 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1COCCO1 ZINC000646211165 388165204 /nfs/dbraw/zinc/16/52/04/388165204.db2.gz VDYWFKBAFLCBPG-DTWKUNHWSA-N 1 0 232.280 -1.560 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1COCCO1 ZINC000646211166 388165608 /nfs/dbraw/zinc/16/56/08/388165608.db2.gz VDYWFKBAFLCBPG-IUCAKERBSA-N 1 0 232.280 -1.560 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@H]1COCCO1 ZINC000646211167 388165108 /nfs/dbraw/zinc/16/51/08/388165108.db2.gz VDYWFKBAFLCBPG-RKDXNWHRSA-N 1 0 232.280 -1.560 20 0 BAADRO CNC(=O)CC(=O)N[C@@H](CO)C[NH+](C)C ZINC000646211804 388165309 /nfs/dbraw/zinc/16/53/09/388165309.db2.gz ANKKFOWYAHJLIN-SSDOTTSWSA-N 1 0 217.269 -1.839 20 0 BAADRO CNC(=O)CC(=O)N[C@H](CO)C[NH+](C)C ZINC000646211805 388165673 /nfs/dbraw/zinc/16/56/73/388165673.db2.gz ANKKFOWYAHJLIN-ZETCQYMHSA-N 1 0 217.269 -1.839 20 0 BAADRO CN1C(=O)CC[C@H]1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000646211842 388165146 /nfs/dbraw/zinc/16/51/46/388165146.db2.gz CFHALMNCNLWDPZ-BDAKNGLRSA-N 1 0 243.307 -1.354 20 0 BAADRO CN1C(=O)CC[C@@H]1C(=O)N[C@H](CO)C[NH+](C)C ZINC000646211843 388165248 /nfs/dbraw/zinc/16/52/48/388165248.db2.gz CFHALMNCNLWDPZ-DTWKUNHWSA-N 1 0 243.307 -1.354 20 0 BAADRO CN1C(=O)CC[C@H]1C(=O)N[C@H](CO)C[NH+](C)C ZINC000646211844 388165062 /nfs/dbraw/zinc/16/50/62/388165062.db2.gz CFHALMNCNLWDPZ-IUCAKERBSA-N 1 0 243.307 -1.354 20 0 BAADRO CN1C(=O)CC[C@@H]1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000646211845 388165279 /nfs/dbraw/zinc/16/52/79/388165279.db2.gz CFHALMNCNLWDPZ-RKDXNWHRSA-N 1 0 243.307 -1.354 20 0 BAADRO C[C@H](C(=O)N[C@H](CO)C[NH+](C)C)n1cncn1 ZINC000646211967 388165077 /nfs/dbraw/zinc/16/50/77/388165077.db2.gz IAAIYRUEFJRBKG-BDAKNGLRSA-N 1 0 241.295 -1.122 20 0 BAADRO C[C@@H](C(=O)N[C@@H](CO)C[NH+](C)C)n1cncn1 ZINC000646211968 388166341 /nfs/dbraw/zinc/16/63/41/388166341.db2.gz IAAIYRUEFJRBKG-DTWKUNHWSA-N 1 0 241.295 -1.122 20 0 BAADRO C[C@@H](C(=O)N[C@H](CO)C[NH+](C)C)n1cncn1 ZINC000646211969 388166375 /nfs/dbraw/zinc/16/63/75/388166375.db2.gz IAAIYRUEFJRBKG-IUCAKERBSA-N 1 0 241.295 -1.122 20 0 BAADRO C[C@H](C(=O)N[C@@H](CO)C[NH+](C)C)n1cncn1 ZINC000646211970 388166315 /nfs/dbraw/zinc/16/63/15/388166315.db2.gz IAAIYRUEFJRBKG-RKDXNWHRSA-N 1 0 241.295 -1.122 20 0 BAADRO C[C@H]([NH3+])C[C@H](C)NC(=O)NC(CO)CO ZINC000646213650 388165182 /nfs/dbraw/zinc/16/51/82/388165182.db2.gz IOBVGMRTIHDAPV-BQBZGAKWSA-N 1 0 219.285 -1.235 20 0 BAADRO C[C@H](C[C@H](C)[NH3+])NC(=O)NC(CO)CO ZINC000646213651 388165098 /nfs/dbraw/zinc/16/50/98/388165098.db2.gz IOBVGMRTIHDAPV-NKWVEPMBSA-N 1 0 219.285 -1.235 20 0 BAADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NC(CO)CO ZINC000646213652 388165432 /nfs/dbraw/zinc/16/54/32/388165432.db2.gz IOBVGMRTIHDAPV-RNFRBKRXSA-N 1 0 219.285 -1.235 20 0 BAADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)NC(CO)CO ZINC000646213653 388165684 /nfs/dbraw/zinc/16/56/84/388165684.db2.gz IOBVGMRTIHDAPV-RQJHMYQMSA-N 1 0 219.285 -1.235 20 0 BAADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cn[nH]n1 ZINC000646223307 388168044 /nfs/dbraw/zinc/16/80/44/388168044.db2.gz GGMGCQVAOAJGHD-MRVPVSSYSA-N 1 0 239.279 -1.009 20 0 BAADRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1cn[nH]n1 ZINC000646223308 388168291 /nfs/dbraw/zinc/16/82/91/388168291.db2.gz GGMGCQVAOAJGHD-QMMMGPOBSA-N 1 0 239.279 -1.009 20 0 BAADRO CNC(=O)CC(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000646223708 388167955 /nfs/dbraw/zinc/16/79/55/388167955.db2.gz KDQMYFJESRAUKY-SECBINFHSA-N 1 0 243.307 -1.305 20 0 BAADRO CNC(=O)CC(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000646223710 388168177 /nfs/dbraw/zinc/16/81/77/388168177.db2.gz KDQMYFJESRAUKY-VIFPVBQESA-N 1 0 243.307 -1.305 20 0 BAADRO CC(C)(C)[C@H](NC(=O)COCC[NH3+])C(N)=O ZINC000646234276 387068550 /nfs/dbraw/zinc/06/85/50/387068550.db2.gz GXYWZGLILLVBJW-MRVPVSSYSA-N 1 0 231.296 -1.022 20 0 BAADRO NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2[NH3+])C1 ZINC000646254385 388171006 /nfs/dbraw/zinc/17/10/06/388171006.db2.gz NZVSJKYFOFZKLX-DSYKOEDSSA-N 1 0 233.293 -1.777 20 0 BAADRO NS(=O)(=O)[C@H]1CCN(C(=O)[C@H]2C[C@H]2[NH3+])C1 ZINC000646254397 388170891 /nfs/dbraw/zinc/17/08/91/388170891.db2.gz NZVSJKYFOFZKLX-LYFYHCNISA-N 1 0 233.293 -1.777 20 0 BAADRO CNC(=O)CCCN(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000646265243 388173292 /nfs/dbraw/zinc/17/32/92/388173292.db2.gz PZJSONGOQGJERZ-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO CN(C)C(=O)NCCN(C)C(=O)COCC[NH3+] ZINC000646286603 388176439 /nfs/dbraw/zinc/17/64/39/388176439.db2.gz DGBQYGULGHSOHE-UHFFFAOYSA-N 1 0 246.311 -1.309 20 0 BAADRO CO[C@H]1CCC[C@@H]1CNC(=O)CNC(=O)C[NH3+] ZINC000646292831 388177479 /nfs/dbraw/zinc/17/74/79/388177479.db2.gz FIHYBEHHEKXOQV-BDAKNGLRSA-N 1 0 243.307 -1.007 20 0 BAADRO CO[C@@H]1CCC[C@H]1CNC(=O)CNC(=O)C[NH3+] ZINC000646292832 388177416 /nfs/dbraw/zinc/17/74/16/388177416.db2.gz FIHYBEHHEKXOQV-DTWKUNHWSA-N 1 0 243.307 -1.007 20 0 BAADRO CO[C@H]1CCC[C@H]1CNC(=O)CNC(=O)C[NH3+] ZINC000646292833 388177463 /nfs/dbraw/zinc/17/74/63/388177463.db2.gz FIHYBEHHEKXOQV-IUCAKERBSA-N 1 0 243.307 -1.007 20 0 BAADRO CO[C@@H]1CCC[C@@H]1CNC(=O)CNC(=O)C[NH3+] ZINC000646292834 388177503 /nfs/dbraw/zinc/17/75/03/388177503.db2.gz FIHYBEHHEKXOQV-RKDXNWHRSA-N 1 0 243.307 -1.007 20 0 BAADRO C[NH+](C)[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1O ZINC000646306225 388191090 /nfs/dbraw/zinc/19/10/90/388191090.db2.gz HJCYDYHCLIWWDZ-YUMQZZPRSA-N 1 0 243.307 -1.369 20 0 BAADRO C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)CC[NH2+]1 ZINC000646323242 388222782 /nfs/dbraw/zinc/22/27/82/388222782.db2.gz YWJNFSLLDJDIFH-MRVPVSSYSA-N 1 0 249.336 -1.302 20 0 BAADRO C[C@H]1CN(C(=O)CS(=O)(=O)N(C)C)CC[NH2+]1 ZINC000646333251 388241478 /nfs/dbraw/zinc/24/14/78/388241478.db2.gz YWJNFSLLDJDIFH-QMMMGPOBSA-N 1 0 249.336 -1.302 20 0 BAADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCS(N)(=O)=O ZINC000646421743 388354699 /nfs/dbraw/zinc/35/46/99/388354699.db2.gz SOMLPQNRMUCJQM-HTQZYQBOSA-N 1 0 249.336 -1.221 20 0 BAADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCS(N)(=O)=O ZINC000646421744 388354769 /nfs/dbraw/zinc/35/47/69/388354769.db2.gz SOMLPQNRMUCJQM-JGVFFNPUSA-N 1 0 249.336 -1.221 20 0 BAADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCS(N)(=O)=O ZINC000646421745 388354751 /nfs/dbraw/zinc/35/47/51/388354751.db2.gz SOMLPQNRMUCJQM-SFYZADRCSA-N 1 0 249.336 -1.221 20 0 BAADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCS(N)(=O)=O ZINC000646421746 388354848 /nfs/dbraw/zinc/35/48/48/388354848.db2.gz SOMLPQNRMUCJQM-YUMQZZPRSA-N 1 0 249.336 -1.221 20 0 BAADRO CC1(C)C[NH2+][C@H]1C(=O)NCCS(N)(=O)=O ZINC000646421823 388354711 /nfs/dbraw/zinc/35/47/11/388354711.db2.gz XIKSLQYAZBHYNX-LURJTMIESA-N 1 0 235.309 -1.611 20 0 BAADRO CC1(C)C[NH2+][C@@H]1C(=O)NCCS(N)(=O)=O ZINC000646421824 388355326 /nfs/dbraw/zinc/35/53/26/388355326.db2.gz XIKSLQYAZBHYNX-ZCFIWIBFSA-N 1 0 235.309 -1.611 20 0 BAADRO CC1(C)C[NH2+][C@@H]1C(=O)NCCCS(N)(=O)=O ZINC000646426527 388357584 /nfs/dbraw/zinc/35/75/84/388357584.db2.gz QTZVGKXTTASFKT-SSDOTTSWSA-N 1 0 249.336 -1.221 20 0 BAADRO CC1(C)C[NH2+][C@H]1C(=O)NCCCS(N)(=O)=O ZINC000646426528 388357439 /nfs/dbraw/zinc/35/74/39/388357439.db2.gz QTZVGKXTTASFKT-ZETCQYMHSA-N 1 0 249.336 -1.221 20 0 BAADRO CN1CCC[C@@H](NC(=O)COCC[NH3+])C1=O ZINC000646458740 388362117 /nfs/dbraw/zinc/36/21/17/388362117.db2.gz LPSHNZMLYRMTGL-MRVPVSSYSA-N 1 0 229.280 -1.301 20 0 BAADRO CN1CCC[C@H](NC(=O)COCC[NH3+])C1=O ZINC000646458741 388361929 /nfs/dbraw/zinc/36/19/29/388361929.db2.gz LPSHNZMLYRMTGL-QMMMGPOBSA-N 1 0 229.280 -1.301 20 0 BAADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CCOC1 ZINC000646468988 388362814 /nfs/dbraw/zinc/36/28/14/388362814.db2.gz LFFGVXPHBWTCHH-BDAKNGLRSA-N 1 0 241.291 -1.240 20 0 BAADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1CCOC1 ZINC000646468989 388362643 /nfs/dbraw/zinc/36/26/43/388362643.db2.gz LFFGVXPHBWTCHH-DTWKUNHWSA-N 1 0 241.291 -1.240 20 0 BAADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CCOC1 ZINC000646468990 388362882 /nfs/dbraw/zinc/36/28/82/388362882.db2.gz LFFGVXPHBWTCHH-IUCAKERBSA-N 1 0 241.291 -1.240 20 0 BAADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@@H]1CCOC1 ZINC000646468991 388362652 /nfs/dbraw/zinc/36/26/52/388362652.db2.gz LFFGVXPHBWTCHH-RKDXNWHRSA-N 1 0 241.291 -1.240 20 0 BAADRO CC1(C)C[NH2+][C@@H]1C(=O)NCCn1ncnn1 ZINC000646470069 388362926 /nfs/dbraw/zinc/36/29/26/388362926.db2.gz GAJBCNXGKWAHNH-SSDOTTSWSA-N 1 0 224.268 -1.213 20 0 BAADRO CC1(C)C[NH2+][C@H]1C(=O)NCCn1ncnn1 ZINC000646470074 388362607 /nfs/dbraw/zinc/36/26/07/388362607.db2.gz GAJBCNXGKWAHNH-ZETCQYMHSA-N 1 0 224.268 -1.213 20 0 BAADRO CN(C(=O)COCC[NH3+])C1CC(O)C1 ZINC000646524526 388375546 /nfs/dbraw/zinc/37/55/46/388375546.db2.gz AZOWHKCDIJAABM-UHFFFAOYSA-N 1 0 202.254 -1.057 20 0 BAADRO CN(C(=O)[C@H]1C[NH2+]CCO1)C1CC(O)C1 ZINC000646524636 388375092 /nfs/dbraw/zinc/37/50/92/388375092.db2.gz MVODJWJLQXRFSS-AMDVSUOASA-N 1 0 214.265 -1.044 20 0 BAADRO CN(C(=O)[C@@H]1C[NH2+]CCO1)C1CC(O)C1 ZINC000646524637 388375351 /nfs/dbraw/zinc/37/53/51/388375351.db2.gz MVODJWJLQXRFSS-HACHORDNSA-N 1 0 214.265 -1.044 20 0 BAADRO C[C@H](C[NH3+])C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000646535750 388377974 /nfs/dbraw/zinc/37/79/74/388377974.db2.gz IXSRTYMEFLCDRP-SSDOTTSWSA-N 1 0 239.279 -1.150 20 0 BAADRO C[C@@H](C[NH3+])C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000646535751 388378066 /nfs/dbraw/zinc/37/80/66/388378066.db2.gz IXSRTYMEFLCDRP-ZETCQYMHSA-N 1 0 239.279 -1.150 20 0 BAADRO Cc1nc(=NC(=O)CCOC2C[NH2+]C2)n(C)[nH]1 ZINC000646540767 388378770 /nfs/dbraw/zinc/37/87/70/388378770.db2.gz CNZHHSSTNBHSOO-UHFFFAOYSA-N 1 0 239.279 -1.138 20 0 BAADRO Cc1nc(=NC(=O)C[C@@H]2C[NH2+]CCO2)n(C)[nH]1 ZINC000646540849 388378542 /nfs/dbraw/zinc/37/85/42/388378542.db2.gz LOUROWYEAXRLAJ-MRVPVSSYSA-N 1 0 239.279 -1.138 20 0 BAADRO Cc1nc(=NC(=O)C[C@H]2C[NH2+]CCO2)n(C)[nH]1 ZINC000646540850 388378303 /nfs/dbraw/zinc/37/83/03/388378303.db2.gz LOUROWYEAXRLAJ-QMMMGPOBSA-N 1 0 239.279 -1.138 20 0 BAADRO Cc1nc(=NC(=O)C[C@@H]2COCC[NH2+]2)n(C)[nH]1 ZINC000646540866 388378529 /nfs/dbraw/zinc/37/85/29/388378529.db2.gz MMPNWWGPVNDSJJ-MRVPVSSYSA-N 1 0 239.279 -1.138 20 0 BAADRO Cc1nc(=NC(=O)C[C@H]2COCC[NH2+]2)n(C)[nH]1 ZINC000646540867 388378712 /nfs/dbraw/zinc/37/87/12/388378712.db2.gz MMPNWWGPVNDSJJ-QMMMGPOBSA-N 1 0 239.279 -1.138 20 0 BAADRO COCC[NH2+]CC(=O)Nc1nc(C)nn1C ZINC000646541087 388378695 /nfs/dbraw/zinc/37/86/95/388378695.db2.gz VNJOTAAPUPIYNZ-UHFFFAOYSA-N 1 0 227.268 -1.280 20 0 BAADRO Cn1nnnc1CNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000646543191 388379193 /nfs/dbraw/zinc/37/91/93/388379193.db2.gz JWRDNKXNOXWGCP-SSDOTTSWSA-N 1 0 224.268 -1.176 20 0 BAADRO Cn1nnnc1CNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000646543192 388379500 /nfs/dbraw/zinc/37/95/00/388379500.db2.gz JWRDNKXNOXWGCP-ZETCQYMHSA-N 1 0 224.268 -1.176 20 0 BAADRO CCC[NH2+][C@@H](C)C(=O)NC1=NCC(=O)N1 ZINC000646566734 388384441 /nfs/dbraw/zinc/38/44/41/388384441.db2.gz WENZCTCIQDAYLC-LURJTMIESA-N 1 0 212.253 -1.024 20 0 BAADRO CCC[NH2+][C@H](C)C(=O)NC1=NCC(=O)N1 ZINC000646566735 388384034 /nfs/dbraw/zinc/38/40/34/388384034.db2.gz WENZCTCIQDAYLC-ZCFIWIBFSA-N 1 0 212.253 -1.024 20 0 BAADRO CC1(C)C[NH2+][C@H]1C(=O)NC1=NCC(=O)N1 ZINC000646566763 388384217 /nfs/dbraw/zinc/38/42/17/388384217.db2.gz XQDOHRMDZSUBCD-LURJTMIESA-N 1 0 210.237 -1.414 20 0 BAADRO CC1(C)C[NH2+][C@@H]1C(=O)NC1=NCC(=O)N1 ZINC000646566764 388384088 /nfs/dbraw/zinc/38/40/88/388384088.db2.gz XQDOHRMDZSUBCD-ZCFIWIBFSA-N 1 0 210.237 -1.414 20 0 BAADRO CN(C)S(=O)(=O)CC(=O)N1CCC[C@H]([NH3+])C1 ZINC000646569497 388385049 /nfs/dbraw/zinc/38/50/49/388385049.db2.gz GFYYQAKSYDLAPG-QMMMGPOBSA-N 1 0 249.336 -1.173 20 0 BAADRO CS(=O)(=O)N1CCC[C@@H]1C(=O)NCCC[NH3+] ZINC000646584923 388390699 /nfs/dbraw/zinc/39/06/99/388390699.db2.gz NCNNYLQYLQREHW-MRVPVSSYSA-N 1 0 249.336 -1.125 20 0 BAADRO CS(=O)(=O)N1CCC[C@H]1C(=O)NCCC[NH3+] ZINC000646584925 388390325 /nfs/dbraw/zinc/39/03/25/388390325.db2.gz NCNNYLQYLQREHW-QMMMGPOBSA-N 1 0 249.336 -1.125 20 0 BAADRO CCS(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000646592840 388391776 /nfs/dbraw/zinc/39/17/76/388391776.db2.gz AETJQSTURNDQET-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO CCS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000646592843 388392225 /nfs/dbraw/zinc/39/22/25/388392225.db2.gz AETJQSTURNDQET-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO COCC(=O)N(C)CC(=O)N1CCC[NH2+]CC1 ZINC000646595266 388392454 /nfs/dbraw/zinc/39/24/54/388392454.db2.gz FQXGODBZHNWPNH-UHFFFAOYSA-N 1 0 243.307 -1.087 20 0 BAADRO CCS(=O)(=O)NCC(=O)N[C@H]1CCC[NH2+]C1 ZINC000646611790 388394982 /nfs/dbraw/zinc/39/49/82/388394982.db2.gz YCUONCUJPOCMBY-QMMMGPOBSA-N 1 0 249.336 -1.206 20 0 BAADRO CC[NH2+]CCCNC(=O)CN1CCNCC1=O ZINC000646626415 388398390 /nfs/dbraw/zinc/39/83/90/388398390.db2.gz STAIUOMPDQETOF-UHFFFAOYSA-N 1 0 242.323 -1.466 20 0 BAADRO CCS(=O)(=O)NCC(=O)N[C@H]1CC[NH2+]C1 ZINC000646634571 388399244 /nfs/dbraw/zinc/39/92/44/388399244.db2.gz FTDAVVHTARZJLM-ZETCQYMHSA-N 1 0 235.309 -1.596 20 0 BAADRO O=C(CN1CCCNC1=O)N[C@H]1CC[NH2+]C1 ZINC000646634604 388398742 /nfs/dbraw/zinc/39/87/42/388398742.db2.gz GNQOPBPKCVILST-QMMMGPOBSA-N 1 0 226.280 -1.120 20 0 BAADRO [NH3+][C@H]1CCN(C(=O)CN2CCNCC2=O)C1 ZINC000646667834 388408782 /nfs/dbraw/zinc/40/87/82/388408782.db2.gz FRIFAROYGUROML-QMMMGPOBSA-N 1 0 226.280 -2.022 20 0 BAADRO C[C@H]([NH3+])CCNC(=O)CN1CN=NC1=O ZINC000646678244 388413601 /nfs/dbraw/zinc/41/36/01/388413601.db2.gz AIXHNAIODNWTJL-LURJTMIESA-N 1 0 213.241 -1.163 20 0 BAADRO C[C@@H]([NH3+])CCNC(=O)CN1CN=NC1=O ZINC000646678245 388413542 /nfs/dbraw/zinc/41/35/42/388413542.db2.gz AIXHNAIODNWTJL-ZCFIWIBFSA-N 1 0 213.241 -1.163 20 0 BAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+]C1CC1 ZINC000646686002 388415265 /nfs/dbraw/zinc/41/52/65/388415265.db2.gz LUEIGOXZCQHWJG-UHFFFAOYSA-N 1 0 249.336 -1.206 20 0 BAADRO CS(=O)(=O)NCCC(=O)NCC[NH2+]C1CC1 ZINC000646686047 388415373 /nfs/dbraw/zinc/41/53/73/388415373.db2.gz YHIDIRGLLUYVJB-UHFFFAOYSA-N 1 0 249.336 -1.206 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]C1CC1 ZINC000646686059 388416029 /nfs/dbraw/zinc/41/60/29/388416029.db2.gz ZXWITWVIAOXQLY-SSDOTTSWSA-N 1 0 249.336 -1.208 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]C1CC1 ZINC000646686060 388415894 /nfs/dbraw/zinc/41/58/94/388415894.db2.gz ZXWITWVIAOXQLY-ZETCQYMHSA-N 1 0 249.336 -1.208 20 0 BAADRO CN(C)S(=O)(=O)CC(=O)NCC[NH2+]C1CC1 ZINC000646686696 388416297 /nfs/dbraw/zinc/41/62/97/388416297.db2.gz VKIWUEUCNQNJNU-UHFFFAOYSA-N 1 0 249.336 -1.254 20 0 BAADRO C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000646741345 388451042 /nfs/dbraw/zinc/45/10/42/388451042.db2.gz NPFIGIKLHURTDB-CIUDSAMLSA-N 1 0 243.307 -1.009 20 0 BAADRO C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[C@H](C(N)=O)O1 ZINC000646741346 388451046 /nfs/dbraw/zinc/45/10/46/388451046.db2.gz NPFIGIKLHURTDB-DJLDLDEBSA-N 1 0 243.307 -1.009 20 0 BAADRO C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000646741347 388451229 /nfs/dbraw/zinc/45/12/29/388451229.db2.gz NPFIGIKLHURTDB-XHNCKOQMSA-N 1 0 243.307 -1.009 20 0 BAADRO C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000646741348 388451152 /nfs/dbraw/zinc/45/11/52/388451152.db2.gz NPFIGIKLHURTDB-YIZRAAEISA-N 1 0 243.307 -1.009 20 0 BAADRO CN(CCC[NH3+])C(=O)CN1CCCS1(=O)=O ZINC000646781136 388500594 /nfs/dbraw/zinc/50/05/94/388500594.db2.gz BANHEHKYXXFBQT-UHFFFAOYSA-N 1 0 249.336 -1.171 20 0 BAADRO CCS(=O)(=O)NCC(=O)N(C)CCC[NH3+] ZINC000646781207 388500855 /nfs/dbraw/zinc/50/08/55/388500855.db2.gz FCAOGLFRJVGLDN-UHFFFAOYSA-N 1 0 237.325 -1.267 20 0 BAADRO CN(C)S(=O)(=O)CC(=O)N(C)CCC[NH3+] ZINC000646782504 388501516 /nfs/dbraw/zinc/50/15/16/388501516.db2.gz ZWKDSRWOEUKEGA-UHFFFAOYSA-N 1 0 237.325 -1.315 20 0 BAADRO CN(CCC[NH3+])C(=O)CN1CCNCC1=O ZINC000646783067 388500533 /nfs/dbraw/zinc/50/05/33/388500533.db2.gz LRJXHOOQVJPGGC-UHFFFAOYSA-N 1 0 228.296 -1.775 20 0 BAADRO CS(=O)(=O)NCCC(=O)N[C@H](C[NH3+])C1CC1 ZINC000646784425 388502172 /nfs/dbraw/zinc/50/21/72/388502172.db2.gz BHEILMVMLIWDAG-MRVPVSSYSA-N 1 0 249.336 -1.221 20 0 BAADRO CS(=O)(=O)NCCC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000646784426 388501562 /nfs/dbraw/zinc/50/15/62/388501562.db2.gz BHEILMVMLIWDAG-QMMMGPOBSA-N 1 0 249.336 -1.221 20 0 BAADRO C[C@H](C[NH3+])CNC(=O)CS(=O)(=O)N(C)C ZINC000646872276 388719577 /nfs/dbraw/zinc/71/95/77/388719577.db2.gz HEHUSTZFOYWRRB-SSDOTTSWSA-N 1 0 237.325 -1.411 20 0 BAADRO C[C@@H](C[NH3+])CNC(=O)CS(=O)(=O)N(C)C ZINC000646872277 388718983 /nfs/dbraw/zinc/71/89/83/388718983.db2.gz HEHUSTZFOYWRRB-ZETCQYMHSA-N 1 0 237.325 -1.411 20 0 BAADRO CCC[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC000646882750 384085741 /nfs/dbraw/zinc/08/57/41/384085741.db2.gz YYSXCPPQYYJXMH-UHFFFAOYSA-N 1 0 241.295 -1.302 20 0 BAADRO C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC[C@H](C(N)=O)O1 ZINC000646896026 384347303 /nfs/dbraw/zinc/34/73/03/384347303.db2.gz PNCXQZGIDYWHOH-IWSPIJDZSA-N 1 0 241.291 -1.160 20 0 BAADRO C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000646896027 384346295 /nfs/dbraw/zinc/34/62/95/384346295.db2.gz PNCXQZGIDYWHOH-VGMNWLOBSA-N 1 0 241.291 -1.160 20 0 BAADRO Cn1cnn(CC(=O)NC[C@@H]([NH3+])C2CC2)c1=O ZINC000646903112 384838249 /nfs/dbraw/zinc/83/82/49/384838249.db2.gz RXZDMZCRWAUGFR-MRVPVSSYSA-N 1 0 239.279 -1.565 20 0 BAADRO Cn1cnn(CC(=O)NC[C@H]([NH3+])C2CC2)c1=O ZINC000646903113 384839272 /nfs/dbraw/zinc/83/92/72/384839272.db2.gz RXZDMZCRWAUGFR-QMMMGPOBSA-N 1 0 239.279 -1.565 20 0 BAADRO COCC(=O)N(C)CC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000646904396 384975080 /nfs/dbraw/zinc/97/50/80/384975080.db2.gz DLDGYEDFVSQLPX-SECBINFHSA-N 1 0 243.307 -1.055 20 0 BAADRO COCC(=O)N(C)CC(=O)NC[C@H]([NH3+])C1CC1 ZINC000646904397 384977615 /nfs/dbraw/zinc/97/76/15/384977615.db2.gz DLDGYEDFVSQLPX-VIFPVBQESA-N 1 0 243.307 -1.055 20 0 BAADRO COCC[NH2+]CCNC(=O)[C@H]1CCC(=O)N1C ZINC000646906783 385050268 /nfs/dbraw/zinc/05/02/68/385050268.db2.gz ABSCIDRFOLLDRR-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO COCC[NH2+]CCNC(=O)[C@@H]1CCC(=O)N1C ZINC000646906784 385050284 /nfs/dbraw/zinc/05/02/84/385050284.db2.gz ABSCIDRFOLLDRR-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO C[N@@H+]1C[C@H]2CCN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC000646911846 385064020 /nfs/dbraw/zinc/06/40/20/385064020.db2.gz IAHHTZHOFZDJNM-HTQZYQBOSA-N 1 0 226.280 -1.183 20 0 BAADRO C[N@@H+]1C[C@@H]2CCN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC000646911847 385066099 /nfs/dbraw/zinc/06/60/99/385066099.db2.gz IAHHTZHOFZDJNM-JGVFFNPUSA-N 1 0 226.280 -1.183 20 0 BAADRO C[N@@H+]1C[C@H]2CCN(C(=O)CNC(N)=O)[C@H]2C1 ZINC000646911848 385065679 /nfs/dbraw/zinc/06/56/79/385065679.db2.gz IAHHTZHOFZDJNM-SFYZADRCSA-N 1 0 226.280 -1.183 20 0 BAADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CNC(N)=O)C1 ZINC000646911849 385065357 /nfs/dbraw/zinc/06/53/57/385065357.db2.gz IAHHTZHOFZDJNM-YUMQZZPRSA-N 1 0 226.280 -1.183 20 0 BAADRO C[C@H](C[NH3+])NC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000646970067 385096684 /nfs/dbraw/zinc/09/66/84/385096684.db2.gz YUWAEPHBVKKXDQ-HTQZYQBOSA-N 1 0 249.336 -1.126 20 0 BAADRO C[C@H](C[NH3+])NC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000646970068 385096687 /nfs/dbraw/zinc/09/66/87/385096687.db2.gz YUWAEPHBVKKXDQ-SFYZADRCSA-N 1 0 249.336 -1.126 20 0 BAADRO C[C@@H]([NH3+])CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC000647020083 385145324 /nfs/dbraw/zinc/14/53/24/385145324.db2.gz CMPKPKNGPRRREG-SSDOTTSWSA-N 1 0 240.263 -1.990 20 0 BAADRO C[C@H]([NH3+])CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC000647020084 385146867 /nfs/dbraw/zinc/14/68/67/385146867.db2.gz CMPKPKNGPRRREG-ZETCQYMHSA-N 1 0 240.263 -1.990 20 0 BAADRO CC(C)NC(=O)CN(C)CC(=O)NC[C@@H](C)[NH3+] ZINC000647020543 385149562 /nfs/dbraw/zinc/14/95/62/385149562.db2.gz DXSONDWNRNPMLA-SECBINFHSA-N 1 0 244.339 -1.094 20 0 BAADRO CC(C)NC(=O)CN(C)CC(=O)NC[C@H](C)[NH3+] ZINC000647020544 385148272 /nfs/dbraw/zinc/14/82/72/385148272.db2.gz DXSONDWNRNPMLA-VIFPVBQESA-N 1 0 244.339 -1.094 20 0 BAADRO CCS(=O)(=O)NCC(=O)NC[C@H](C)[NH3+] ZINC000647020658 385148377 /nfs/dbraw/zinc/14/83/77/385148377.db2.gz HUDMJRCPXIECHP-LURJTMIESA-N 1 0 223.298 -1.611 20 0 BAADRO CCS(=O)(=O)NCC(=O)NC[C@@H](C)[NH3+] ZINC000647020659 385149357 /nfs/dbraw/zinc/14/93/57/385149357.db2.gz HUDMJRCPXIECHP-ZCFIWIBFSA-N 1 0 223.298 -1.611 20 0 BAADRO COCC(=O)N(C)CC(=O)NC[C@@H](C)[NH3+] ZINC000647023159 385156046 /nfs/dbraw/zinc/15/60/46/385156046.db2.gz QWHVQRUKDVOGFL-SSDOTTSWSA-N 1 0 217.269 -1.445 20 0 BAADRO COCC(=O)N(C)CC(=O)NC[C@H](C)[NH3+] ZINC000647023160 385155989 /nfs/dbraw/zinc/15/59/89/385155989.db2.gz QWHVQRUKDVOGFL-ZETCQYMHSA-N 1 0 217.269 -1.445 20 0 BAADRO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000647053693 385195348 /nfs/dbraw/zinc/19/53/48/385195348.db2.gz ZKTIGUHCGDAGOI-JIOCBJNQSA-N 1 0 223.276 -1.059 20 0 BAADRO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000647053694 385195441 /nfs/dbraw/zinc/19/54/41/385195441.db2.gz ZKTIGUHCGDAGOI-PYHGXSLLSA-N 1 0 223.276 -1.059 20 0 BAADRO CNC(=O)CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058444 385204728 /nfs/dbraw/zinc/20/47/28/385204728.db2.gz JJVJZMMJJXYNCY-BQBZGAKWSA-N 1 0 217.244 -1.061 20 0 BAADRO C[C@@H](NC(=O)CN1CN=NC1=O)[C@H](C)[NH3+] ZINC000647067840 385213492 /nfs/dbraw/zinc/21/34/92/385213492.db2.gz VQLGPIBZMAJTCC-NTSWFWBYSA-N 1 0 213.241 -1.164 20 0 BAADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)CN1CN=NC1=O ZINC000647067841 385212052 /nfs/dbraw/zinc/21/20/52/385212052.db2.gz VQLGPIBZMAJTCC-PHDIDXHHSA-N 1 0 213.241 -1.164 20 0 BAADRO C[C@@H]([NH3+])[C@H](C)NC(=O)CN1CN=NC1=O ZINC000647067842 385212066 /nfs/dbraw/zinc/21/20/66/385212066.db2.gz VQLGPIBZMAJTCC-RITPCOANSA-N 1 0 213.241 -1.164 20 0 BAADRO C[C@H]([NH3+])[C@H](C)NC(=O)CN1CN=NC1=O ZINC000647067843 385211786 /nfs/dbraw/zinc/21/17/86/385211786.db2.gz VQLGPIBZMAJTCC-WDSKDSINSA-N 1 0 213.241 -1.164 20 0 BAADRO CC[C@@H]([NH3+])CNC(=O)CN(C)C(=O)COC ZINC000647069037 385216286 /nfs/dbraw/zinc/21/62/86/385216286.db2.gz QEVVBJLDLVQPHY-MRVPVSSYSA-N 1 0 231.296 -1.055 20 0 BAADRO CC[C@H]([NH3+])CNC(=O)CN(C)C(=O)COC ZINC000647069038 385215272 /nfs/dbraw/zinc/21/52/72/385215272.db2.gz QEVVBJLDLVQPHY-QMMMGPOBSA-N 1 0 231.296 -1.055 20 0 BAADRO CC[C@@H]([NH3+])CNC(=O)Cn1ncn(C)c1=O ZINC000647069578 385215598 /nfs/dbraw/zinc/21/55/98/385215598.db2.gz FKAPIIKEQGOOOT-SSDOTTSWSA-N 1 0 227.268 -1.565 20 0 BAADRO CC[C@H]([NH3+])CNC(=O)Cn1ncn(C)c1=O ZINC000647069579 385215730 /nfs/dbraw/zinc/21/57/30/385215730.db2.gz FKAPIIKEQGOOOT-ZETCQYMHSA-N 1 0 227.268 -1.565 20 0 BAADRO CCS(=O)(=O)NCC(=O)N(C)CC[NH3+] ZINC000647088734 385253271 /nfs/dbraw/zinc/25/32/71/385253271.db2.gz GKRINJLEXZEXDT-UHFFFAOYSA-N 1 0 223.298 -1.657 20 0 BAADRO COCCN1C[C@H](C(=O)N(C)CC[NH3+])CC1=O ZINC000647088735 385254677 /nfs/dbraw/zinc/25/46/77/385254677.db2.gz GLVLCDKZGMVKOV-SECBINFHSA-N 1 0 243.307 -1.102 20 0 BAADRO COCCN1C[C@@H](C(=O)N(C)CC[NH3+])CC1=O ZINC000647088736 385254625 /nfs/dbraw/zinc/25/46/25/385254625.db2.gz GLVLCDKZGMVKOV-VIFPVBQESA-N 1 0 243.307 -1.102 20 0 BAADRO CN(CC[NH3+])C(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000647088776 385254098 /nfs/dbraw/zinc/25/40/98/385254098.db2.gz UENOVKFMWDUQAC-MRVPVSSYSA-N 1 0 249.336 -1.173 20 0 BAADRO CN(CC[NH3+])C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000647088777 385253578 /nfs/dbraw/zinc/25/35/78/385253578.db2.gz UENOVKFMWDUQAC-QMMMGPOBSA-N 1 0 249.336 -1.173 20 0 BAADRO COC[C@@H](C(N)=O)N(C)C(=O)[C@H](C)[NH+](C)C ZINC000647179460 384527458 /nfs/dbraw/zinc/52/74/58/384527458.db2.gz JXQPCUZYKDOVGZ-YUMQZZPRSA-N 1 0 231.296 -1.105 20 0 BAADRO COCCOCCS(=O)(=O)NCC[NH3+] ZINC000647180624 384541892 /nfs/dbraw/zinc/54/18/92/384541892.db2.gz LMZFZMXVGLEUNT-UHFFFAOYSA-N 1 0 226.298 -1.473 20 0 BAADRO Cn1nncc1S(=O)(=O)NCC[NH2+]C1CC1 ZINC000647210012 383890128 /nfs/dbraw/zinc/89/01/28/383890128.db2.gz DRWTZNNPJQUHLB-UHFFFAOYSA-N 1 0 245.308 -1.155 20 0 BAADRO Cc1cnn(C)c1S(=O)(=O)NC1C[NH2+]C1 ZINC000647217734 384044739 /nfs/dbraw/zinc/04/47/39/384044739.db2.gz CHZVTGAADWVFDT-UHFFFAOYSA-N 1 0 230.293 -1.021 20 0 BAADRO COCCOCCS(=O)(=O)NC1C[NH2+]C1 ZINC000647217742 384044197 /nfs/dbraw/zinc/04/41/97/384044197.db2.gz CYDIPYCHHBZXSP-UHFFFAOYSA-N 1 0 238.309 -1.459 20 0 BAADRO CN(C1CC1)S(=O)(=O)N1CCO[C@H](C[NH3+])C1 ZINC000647250787 383833071 /nfs/dbraw/zinc/83/30/71/383833071.db2.gz AVIDRARQKWCCRC-SECBINFHSA-N 1 0 249.336 -1.015 20 0 BAADRO CN(C1CC1)S(=O)(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000647250788 383833905 /nfs/dbraw/zinc/83/39/05/383833905.db2.gz AVIDRARQKWCCRC-VIFPVBQESA-N 1 0 249.336 -1.015 20 0 BAADRO C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@H]1C[C@@H]([NH3+])C1 ZINC000647272274 384495120 /nfs/dbraw/zinc/49/51/20/384495120.db2.gz HWIZETMIKHGHIG-BIIVOSGPSA-N 1 0 249.336 -1.128 20 0 BAADRO C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@H]1C[C@@H]([NH3+])C1 ZINC000647272275 384495720 /nfs/dbraw/zinc/49/57/20/384495720.db2.gz HWIZETMIKHGHIG-PRJMDXOYSA-N 1 0 249.336 -1.128 20 0 BAADRO COCCOCCS(=O)(=O)NC[C@@H](C)[NH3+] ZINC000647274116 384509354 /nfs/dbraw/zinc/50/93/54/384509354.db2.gz WXEOGBMRRGQVTC-MRVPVSSYSA-N 1 0 240.325 -1.084 20 0 BAADRO COCCOCCS(=O)(=O)NC[C@H](C)[NH3+] ZINC000647274117 384509004 /nfs/dbraw/zinc/50/90/04/384509004.db2.gz WXEOGBMRRGQVTC-QMMMGPOBSA-N 1 0 240.325 -1.084 20 0 BAADRO Cc1onc(N)c1S(=O)(=O)N(C)C1C[NH2+]C1 ZINC000647299470 410358707 /nfs/dbraw/zinc/35/87/07/410358707.db2.gz KVQOVUMHBAUUQU-UHFFFAOYSA-N 1 0 246.292 -0.842 20 0 BAADRO C[C@@H](NS(=O)(=O)c1cnnn1C)[C@H](C)[NH3+] ZINC000647313728 385336589 /nfs/dbraw/zinc/33/65/89/385336589.db2.gz ABDYORHXVUDNQH-NTSWFWBYSA-N 1 0 233.297 -1.171 20 0 BAADRO C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)c1cnnn1C ZINC000647313729 385336791 /nfs/dbraw/zinc/33/67/91/385336791.db2.gz ABDYORHXVUDNQH-PHDIDXHHSA-N 1 0 233.297 -1.171 20 0 BAADRO C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)c1cnnn1C ZINC000647313730 385338290 /nfs/dbraw/zinc/33/82/90/385338290.db2.gz ABDYORHXVUDNQH-RITPCOANSA-N 1 0 233.297 -1.171 20 0 BAADRO C[C@H]([NH3+])[C@H](C)NS(=O)(=O)c1cnnn1C ZINC000647313731 385336741 /nfs/dbraw/zinc/33/67/41/385336741.db2.gz ABDYORHXVUDNQH-WDSKDSINSA-N 1 0 233.297 -1.171 20 0 BAADRO CC[C@H]([NH3+])CNS(=O)(=O)c1cnnn1C ZINC000647314068 385340976 /nfs/dbraw/zinc/34/09/76/385340976.db2.gz KXRWHLDYUNIYHC-LURJTMIESA-N 1 0 233.297 -1.169 20 0 BAADRO CC[C@@H]([NH3+])CNS(=O)(=O)c1cnnn1C ZINC000647314069 385341029 /nfs/dbraw/zinc/34/10/29/385341029.db2.gz KXRWHLDYUNIYHC-ZCFIWIBFSA-N 1 0 233.297 -1.169 20 0 BAADRO CN(C1CC([NH3+])C1)S(=O)(=O)c1cnnn1C ZINC000647315490 384210428 /nfs/dbraw/zinc/21/04/28/384210428.db2.gz IJLOAERAYJLVTC-UHFFFAOYSA-N 1 0 245.308 -1.075 20 0 BAADRO Cc1cc(NC(=O)CC[NH2+]C(CO)CO)no1 ZINC000647515698 487600958 /nfs/dbraw/zinc/60/09/58/487600958.db2.gz CDXMFWCALBOUCV-UHFFFAOYSA-N 1 0 243.263 -0.746 20 0 BAADRO CCOCC[C@@H](O)C[NH2+]C(CO)CO ZINC000647515778 384458214 /nfs/dbraw/zinc/45/82/14/384458214.db2.gz MUCGZBBPIHPDEQ-SECBINFHSA-N 1 0 207.270 -1.283 20 0 BAADRO CCOCC[C@H](O)C[NH2+]C(CO)CO ZINC000647515779 384458664 /nfs/dbraw/zinc/45/86/64/384458664.db2.gz MUCGZBBPIHPDEQ-VIFPVBQESA-N 1 0 207.270 -1.283 20 0 BAADRO CCC[C@@H](O)[C@@H](CO)[NH2+]CCC(N)=O ZINC000647530629 384619521 /nfs/dbraw/zinc/61/95/21/384619521.db2.gz SZNJTINBCRUCPZ-HTQZYQBOSA-N 1 0 204.270 -1.027 20 0 BAADRO CCC[C@@H](O)[C@H](CO)[NH2+]CCC(N)=O ZINC000647530630 384619123 /nfs/dbraw/zinc/61/91/23/384619123.db2.gz SZNJTINBCRUCPZ-JGVFFNPUSA-N 1 0 204.270 -1.027 20 0 BAADRO CCC[C@H](O)[C@@H](CO)[NH2+]CCC(N)=O ZINC000647530631 384618983 /nfs/dbraw/zinc/61/89/83/384618983.db2.gz SZNJTINBCRUCPZ-SFYZADRCSA-N 1 0 204.270 -1.027 20 0 BAADRO CCC[C@H](O)[C@H](CO)[NH2+]CCC(N)=O ZINC000647530632 384619873 /nfs/dbraw/zinc/61/98/73/384619873.db2.gz SZNJTINBCRUCPZ-YUMQZZPRSA-N 1 0 204.270 -1.027 20 0 BAADRO C[C@@H](O)C[NH2+][C@H]1CCCN(CCO)C1=O ZINC000647531572 384633911 /nfs/dbraw/zinc/63/39/11/384633911.db2.gz HFPZTOPFIXUDPG-BDAKNGLRSA-N 1 0 216.281 -1.060 20 0 BAADRO C[C@H](O)C[NH2+][C@@H]1CCCN(CCO)C1=O ZINC000647531573 384633792 /nfs/dbraw/zinc/63/37/92/384633792.db2.gz HFPZTOPFIXUDPG-DTWKUNHWSA-N 1 0 216.281 -1.060 20 0 BAADRO C[C@H](O)C[NH2+][C@H]1CCCN(CCO)C1=O ZINC000647531574 384633772 /nfs/dbraw/zinc/63/37/72/384633772.db2.gz HFPZTOPFIXUDPG-IUCAKERBSA-N 1 0 216.281 -1.060 20 0 BAADRO C[C@@H](O)C[NH2+][C@@H]1CCCN(CCO)C1=O ZINC000647531575 384632928 /nfs/dbraw/zinc/63/29/28/384632928.db2.gz HFPZTOPFIXUDPG-RKDXNWHRSA-N 1 0 216.281 -1.060 20 0 BAADRO C[C@@H](O)C[NH2+][C@@H](CO)CN1CCOCC1 ZINC000647535464 384651198 /nfs/dbraw/zinc/65/11/98/384651198.db2.gz STHUKNZJFJCEKU-NXEZZACHSA-N 1 0 218.297 -1.350 20 0 BAADRO C[C@@H](O)C[NH2+][C@H](CO)CN1CCOCC1 ZINC000647535465 384652403 /nfs/dbraw/zinc/65/24/03/384652403.db2.gz STHUKNZJFJCEKU-ZJUUUORDSA-N 1 0 218.297 -1.350 20 0 BAADRO NC(=O)CC[NH2+][C@@H](CO)CN1CCOCC1 ZINC000647535472 384652145 /nfs/dbraw/zinc/65/21/45/384652145.db2.gz UNQHXIFCOQQQFK-SECBINFHSA-N 1 0 231.296 -1.856 20 0 BAADRO NC(=O)CC[NH2+][C@H](CO)CN1CCOCC1 ZINC000647535473 384653189 /nfs/dbraw/zinc/65/31/89/384653189.db2.gz UNQHXIFCOQQQFK-VIFPVBQESA-N 1 0 231.296 -1.856 20 0 BAADRO [NH3+]CCNC(=O)c1nc2n(n1)CCCN2 ZINC000647605246 384927085 /nfs/dbraw/zinc/92/70/85/384927085.db2.gz YWLRSKQDFXPLST-UHFFFAOYSA-N 1 0 210.241 -1.960 20 0 BAADRO CN1CC[C@H](C(=O)N2CC[NH2+]CC2)S1(=O)=O ZINC000647609495 384940688 /nfs/dbraw/zinc/94/06/88/384940688.db2.gz DBNFTAOAMZZJTL-MRVPVSSYSA-N 1 0 247.320 -1.548 20 0 BAADRO CN1CC[C@@H](C(=O)N2CC[NH2+]CC2)S1(=O)=O ZINC000647609496 384940504 /nfs/dbraw/zinc/94/05/04/384940504.db2.gz DBNFTAOAMZZJTL-QMMMGPOBSA-N 1 0 247.320 -1.548 20 0 BAADRO [NH3+]CCCNC(=O)c1nc2n(n1)CCCN2 ZINC000647610944 384950323 /nfs/dbraw/zinc/95/03/23/384950323.db2.gz BMBUCDNBFOGBQW-UHFFFAOYSA-N 1 0 224.268 -1.570 20 0 BAADRO C[NH2+]CCCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC000647648851 385250568 /nfs/dbraw/zinc/25/05/68/385250568.db2.gz NZIHVLWRLACDCB-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO C[NH2+]CCCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000647648852 385250816 /nfs/dbraw/zinc/25/08/16/385250816.db2.gz NZIHVLWRLACDCB-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO C[NH2+]CCCNC(=O)c1nc2n(n1)CCCN2 ZINC000647648884 385250921 /nfs/dbraw/zinc/25/09/21/385250921.db2.gz UHJMSDYZODSYSO-UHFFFAOYSA-N 1 0 238.295 -1.310 20 0 BAADRO CN(C)S(=O)(=O)CCC(=O)N[C@H]1CC[NH2+]C1 ZINC000647680888 397863072 /nfs/dbraw/zinc/86/30/72/397863072.db2.gz RNQURDANVQJNON-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO O=C(N[C@H]1CC[NH2+]C1)c1nc2n(n1)CCCN2 ZINC000647681130 385692385 /nfs/dbraw/zinc/69/23/85/385692385.db2.gz ZIGQGZNAYGOJKE-ZETCQYMHSA-N 1 0 236.279 -1.557 20 0 BAADRO CNC(=O)NCC(=O)N[C@@H](CO)C[NH+](C)C ZINC000647710111 397974280 /nfs/dbraw/zinc/97/42/80/397974280.db2.gz MHTKMJIKCMGWPR-SSDOTTSWSA-N 1 0 232.284 -2.046 20 0 BAADRO CNC(=O)NCC(=O)N[C@H](CO)C[NH+](C)C ZINC000647710112 397974067 /nfs/dbraw/zinc/97/40/67/397974067.db2.gz MHTKMJIKCMGWPR-ZETCQYMHSA-N 1 0 232.284 -2.046 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)C1(NC(N)=O)CC1 ZINC000647710522 397974113 /nfs/dbraw/zinc/97/41/13/397974113.db2.gz DJVDPVDVYLCFJV-SSDOTTSWSA-N 1 0 244.295 -1.774 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)C1(NC(N)=O)CC1 ZINC000647710523 397974202 /nfs/dbraw/zinc/97/42/02/397974202.db2.gz DJVDPVDVYLCFJV-ZETCQYMHSA-N 1 0 244.295 -1.774 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)Cn1cccn1 ZINC000647710875 385603579 /nfs/dbraw/zinc/60/35/79/385603579.db2.gz SKSYIHIKAQCTGM-SECBINFHSA-N 1 0 226.280 -1.078 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)Cn1cccn1 ZINC000647710876 385604253 /nfs/dbraw/zinc/60/42/53/385604253.db2.gz SKSYIHIKAQCTGM-VIFPVBQESA-N 1 0 226.280 -1.078 20 0 BAADRO CN(C)S(=O)(=O)CCC(=O)N1CC[C@H]([NH3+])C1 ZINC000647730728 385839766 /nfs/dbraw/zinc/83/97/66/385839766.db2.gz LWPOHYFIYHVPPB-QMMMGPOBSA-N 1 0 249.336 -1.173 20 0 BAADRO C[NH2+]CCNC(=O)c1nc2n(n1)CCCN2 ZINC000647744115 385960847 /nfs/dbraw/zinc/96/08/47/385960847.db2.gz SMMUSNDZCXJOSY-UHFFFAOYSA-N 1 0 224.268 -1.700 20 0 BAADRO CC[NH2+]CCNC(=O)c1nc2n(n1)CCCN2 ZINC000647748055 385993515 /nfs/dbraw/zinc/99/35/15/385993515.db2.gz AIVNRABPJJYQIR-UHFFFAOYSA-N 1 0 238.295 -1.310 20 0 BAADRO CC[NH2+]CCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC000647748215 398116417 /nfs/dbraw/zinc/11/64/17/398116417.db2.gz WDGNZDXDMZZSKR-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO CC[NH2+]CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000647748216 398116603 /nfs/dbraw/zinc/11/66/03/398116603.db2.gz WDGNZDXDMZZSKR-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO C[C@@H](NC(N)=O)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000647760190 386490494 /nfs/dbraw/zinc/49/04/94/386490494.db2.gz YIONFLHQZNENMP-CSMHCCOUSA-N 1 0 244.295 -1.824 20 0 BAADRO CN(C)S(=O)(=O)CC(=O)NC(C)(C)C[NH3+] ZINC000647764538 385799308 /nfs/dbraw/zinc/79/93/08/385799308.db2.gz DBFHBIWODZWAIV-UHFFFAOYSA-N 1 0 237.325 -1.269 20 0 BAADRO CC(C)(C[NH3+])NC(=O)c1nc2n(n1)CCCN2 ZINC000647764815 385804732 /nfs/dbraw/zinc/80/47/32/385804732.db2.gz XZRSZMPBJRHNTE-UHFFFAOYSA-N 1 0 238.295 -1.182 20 0 BAADRO CN1CC[C@H](C(=O)NC(C)(C)C[NH3+])S1(=O)=O ZINC000647764823 385804794 /nfs/dbraw/zinc/80/47/94/385804794.db2.gz YSXUEYKIINNLGI-SSDOTTSWSA-N 1 0 249.336 -1.126 20 0 BAADRO CN1CC[C@@H](C(=O)NC(C)(C)C[NH3+])S1(=O)=O ZINC000647764824 385804957 /nfs/dbraw/zinc/80/49/57/385804957.db2.gz YSXUEYKIINNLGI-ZETCQYMHSA-N 1 0 249.336 -1.126 20 0 BAADRO CNC(=O)CC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647778530 386571154 /nfs/dbraw/zinc/57/11/54/386571154.db2.gz LCEZMKHMPIKBKG-UHFFFAOYSA-N 1 0 242.323 -1.514 20 0 BAADRO C[C@H](C[NH3+])N(C)C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000647811028 385863074 /nfs/dbraw/zinc/86/30/74/385863074.db2.gz HJIOTKLDDGSOAU-HTQZYQBOSA-N 1 0 249.336 -1.174 20 0 BAADRO C[C@@H](C[NH3+])N(C)C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000647811029 385862950 /nfs/dbraw/zinc/86/29/50/385862950.db2.gz HJIOTKLDDGSOAU-JGVFFNPUSA-N 1 0 249.336 -1.174 20 0 BAADRO C[C@H](C[NH3+])N(C)C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000647811030 385863110 /nfs/dbraw/zinc/86/31/10/385863110.db2.gz HJIOTKLDDGSOAU-SFYZADRCSA-N 1 0 249.336 -1.174 20 0 BAADRO C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000647811031 385862401 /nfs/dbraw/zinc/86/24/01/385862401.db2.gz HJIOTKLDDGSOAU-YUMQZZPRSA-N 1 0 249.336 -1.174 20 0 BAADRO CN(CCC[NH3+])C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000647830235 385878978 /nfs/dbraw/zinc/87/89/78/385878978.db2.gz BKANALILPJOZTR-MRVPVSSYSA-N 1 0 249.336 -1.173 20 0 BAADRO CN(CCC[NH3+])C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000647830236 385877816 /nfs/dbraw/zinc/87/78/16/385877816.db2.gz BKANALILPJOZTR-QMMMGPOBSA-N 1 0 249.336 -1.173 20 0 BAADRO CN(CCN1CC[NH2+]CC1)[C@H]1CCNC1=O ZINC000647836216 385880542 /nfs/dbraw/zinc/88/05/42/385880542.db2.gz QIWSWIXRCVFSGU-JTQLQIEISA-N 1 0 226.324 -1.288 20 0 BAADRO CN(CCN1CC[NH2+]CC1)[C@@H]1CCNC1=O ZINC000647836217 385879747 /nfs/dbraw/zinc/87/97/47/385879747.db2.gz QIWSWIXRCVFSGU-SNVBAGLBSA-N 1 0 226.324 -1.288 20 0 BAADRO CNS(=O)(=O)CC(=O)N1CC[NH2+]CC1(C)C ZINC000647840509 385888784 /nfs/dbraw/zinc/88/87/84/385888784.db2.gz AZVIMTDAJNJETG-UHFFFAOYSA-N 1 0 249.336 -1.254 20 0 BAADRO C[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)CC[NH2+]1 ZINC000647842584 385891691 /nfs/dbraw/zinc/89/16/91/385891691.db2.gz XGSVCAKRWPAGGH-SSDOTTSWSA-N 1 0 211.269 -1.098 20 0 BAADRO C[C@H]1CN(Cc2nc(=O)n(C)[nH]2)CC[NH2+]1 ZINC000647842585 385890882 /nfs/dbraw/zinc/89/08/82/385890882.db2.gz XGSVCAKRWPAGGH-ZETCQYMHSA-N 1 0 211.269 -1.098 20 0 BAADRO CN1CC[C@H](C(=O)NCC(C)(C)[NH3+])S1(=O)=O ZINC000647843643 385893190 /nfs/dbraw/zinc/89/31/90/385893190.db2.gz ORIRDXTYKNOALW-SSDOTTSWSA-N 1 0 249.336 -1.126 20 0 BAADRO CN1CC[C@@H](C(=O)NCC(C)(C)[NH3+])S1(=O)=O ZINC000647843644 385892763 /nfs/dbraw/zinc/89/27/63/385892763.db2.gz ORIRDXTYKNOALW-ZETCQYMHSA-N 1 0 249.336 -1.126 20 0 BAADRO CC(C)([NH3+])CNC(=O)c1nc2n(n1)CCCN2 ZINC000647843645 385893317 /nfs/dbraw/zinc/89/33/17/385893317.db2.gz PGNYHEVUKPAULS-UHFFFAOYSA-N 1 0 238.295 -1.182 20 0 BAADRO CN(CCC[NH3+])CC(=O)N1CCNC(=O)C1 ZINC000647849601 385901468 /nfs/dbraw/zinc/90/14/68/385901468.db2.gz ZIPWKHICZOBCQX-UHFFFAOYSA-N 1 0 228.296 -1.775 20 0 BAADRO Cn1[nH]cnc1=NC[C@@H]1C[N@H+](C)CCN1C ZINC000647868314 386002798 /nfs/dbraw/zinc/00/27/98/386002798.db2.gz PMLIPNCGZZNGGC-SECBINFHSA-N 1 0 224.312 -1.105 20 0 BAADRO Cn1[nH]cnc1=NC[C@H]1C[N@H+](C)CCN1C ZINC000647868315 386002045 /nfs/dbraw/zinc/00/20/45/386002045.db2.gz PMLIPNCGZZNGGC-VIFPVBQESA-N 1 0 224.312 -1.105 20 0 BAADRO CC(=O)N(C)CC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000647872620 386138517 /nfs/dbraw/zinc/13/85/17/386138517.db2.gz JHCSLDDHZBDXKC-JTQLQIEISA-N 1 0 242.323 -1.434 20 0 BAADRO CC(=O)N(C)CC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000647872621 386138179 /nfs/dbraw/zinc/13/81/79/386138179.db2.gz JHCSLDDHZBDXKC-SNVBAGLBSA-N 1 0 242.323 -1.434 20 0 BAADRO Cn1[nH]cnc1=NC[C@@](C)(O)C[NH+](C)C ZINC000647874138 386133471 /nfs/dbraw/zinc/13/34/71/386133471.db2.gz UBOYKGIGNQLJMO-SECBINFHSA-N 1 0 213.285 -1.039 20 0 BAADRO Cn1[nH]cnc1=NC[C@](C)(O)C[NH+](C)C ZINC000647874139 386133434 /nfs/dbraw/zinc/13/34/34/386133434.db2.gz UBOYKGIGNQLJMO-VIFPVBQESA-N 1 0 213.285 -1.039 20 0 BAADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC2CC2)CCO1 ZINC000647877321 386147582 /nfs/dbraw/zinc/14/75/82/386147582.db2.gz NYMYZJVDJUUBKG-APPZFPTMSA-N 1 0 241.291 -1.160 20 0 BAADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC2CC2)CCO1 ZINC000647877322 386147263 /nfs/dbraw/zinc/14/72/63/386147263.db2.gz NYMYZJVDJUUBKG-CBAPKCEASA-N 1 0 241.291 -1.160 20 0 BAADRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC2CC2)CCO1 ZINC000647877323 386147427 /nfs/dbraw/zinc/14/74/27/386147427.db2.gz NYMYZJVDJUUBKG-IONNQARKSA-N 1 0 241.291 -1.160 20 0 BAADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC2CC2)CCO1 ZINC000647877324 386147461 /nfs/dbraw/zinc/14/74/61/386147461.db2.gz NYMYZJVDJUUBKG-VXNVDRBHSA-N 1 0 241.291 -1.160 20 0 BAADRO C[NH+](C)[C@H]1CN(S(C)(=O)=O)C[C@@H]1O ZINC000647886322 386299695 /nfs/dbraw/zinc/29/96/95/386299695.db2.gz MQIPFSFWSDVGCV-BQBZGAKWSA-N 1 0 208.283 -1.447 20 0 BAADRO CN(C)S(=O)(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000647886364 386300504 /nfs/dbraw/zinc/30/05/04/386300504.db2.gz OKEKSVQFGSEUBZ-YUMQZZPRSA-N 1 0 237.325 -1.601 20 0 BAADRO CCN1C(=O)[C@H]2CN(CC[NH3+])CCN2C1=O ZINC000647891493 386393594 /nfs/dbraw/zinc/39/35/94/386393594.db2.gz JKKJUWJMFXIJQV-MRVPVSSYSA-N 1 0 226.280 -1.087 20 0 BAADRO CCN1C(=O)[C@@H]2CN(CC[NH3+])CCN2C1=O ZINC000647891494 386393688 /nfs/dbraw/zinc/39/36/88/386393688.db2.gz JKKJUWJMFXIJQV-QMMMGPOBSA-N 1 0 226.280 -1.087 20 0 BAADRO CN(C)C(=O)CN(C)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647907738 386697965 /nfs/dbraw/zinc/69/79/65/386697965.db2.gz NUHCCYCVCRULQD-MBTKJCJQSA-N 1 0 225.292 -1.002 20 0 BAADRO [NH3+]C[C@@H]1CN(CC(=O)Nc2ccon2)CCO1 ZINC000647908727 412301021 /nfs/dbraw/zinc/30/10/21/412301021.db2.gz NFVDEOQIBLMQSK-MRVPVSSYSA-N 1 0 240.263 -0.727 20 0 BAADRO [NH3+]C[C@H]1CN(CC(=O)Nc2ccon2)CCO1 ZINC000647908728 412300324 /nfs/dbraw/zinc/30/03/24/412300324.db2.gz NFVDEOQIBLMQSK-QMMMGPOBSA-N 1 0 240.263 -0.727 20 0 BAADRO O=C(CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)NC1CC1 ZINC000647913765 385690032 /nfs/dbraw/zinc/69/00/32/385690032.db2.gz ZTJHFHMIZUMFLP-MBTKJCJQSA-N 1 0 223.276 -1.153 20 0 BAADRO COCCNC(=O)CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000647914276 385706020 /nfs/dbraw/zinc/70/60/20/385706020.db2.gz KONPFYRCBRFXDR-HLTSFMKQSA-N 1 0 241.291 -1.384 20 0 BAADRO COCCNC(=O)CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647914443 385713349 /nfs/dbraw/zinc/71/33/49/385713349.db2.gz FWKXVFVHGMCVKA-MBTKJCJQSA-N 1 0 241.291 -1.669 20 0 BAADRO COCCNC(=O)CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000647914485 385711794 /nfs/dbraw/zinc/71/17/94/385711794.db2.gz NWLRQDFHFWWGOB-OCAPTIKFSA-N 1 0 229.280 -1.398 20 0 BAADRO CS(=O)(=O)NCCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647919917 385873563 /nfs/dbraw/zinc/87/35/63/385873563.db2.gz IRUCFGNECMBPGP-JIGDXULJSA-N 1 0 247.320 -1.883 20 0 BAADRO CS(=O)(=O)NCCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000647919950 397976306 /nfs/dbraw/zinc/97/63/06/397976306.db2.gz PMNKHBDKELQIQI-PRJMDXOYSA-N 1 0 247.320 -1.598 20 0 BAADRO C[NH+](C)[C@H]1CN([C@H]2CCNC2=O)C[C@@H]1O ZINC000647940822 385896562 /nfs/dbraw/zinc/89/65/62/385896562.db2.gz JAAHCJQUOBNFEZ-CIUDSAMLSA-N 1 0 213.281 -1.518 20 0 BAADRO C[NH+](C)[C@H]1CN([C@@H]2CCNC2=O)C[C@@H]1O ZINC000647940823 385896550 /nfs/dbraw/zinc/89/65/50/385896550.db2.gz JAAHCJQUOBNFEZ-VGMNWLOBSA-N 1 0 213.281 -1.518 20 0 BAADRO CCN1OC[C@H](N2C[C@@H](O)C[C@H]2CO)C1=O ZINC000647971464 386507349 /nfs/dbraw/zinc/50/73/49/386507349.db2.gz JRWZXXWOFKYFKF-CIUDSAMLSA-N 1 0 230.264 -1.424 20 0 BAADRO CCN1OC[C@@H](N2C[C@@H](O)C[C@H]2CO)C1=O ZINC000647971467 386506798 /nfs/dbraw/zinc/50/67/98/386506798.db2.gz JRWZXXWOFKYFKF-XHNCKOQMSA-N 1 0 230.264 -1.424 20 0 BAADRO CCN1OC[C@H](N2C[C@H](O)C[C@H]2CO)C1=O ZINC000647971468 386507540 /nfs/dbraw/zinc/50/75/40/386507540.db2.gz JRWZXXWOFKYFKF-YIZRAAEISA-N 1 0 230.264 -1.424 20 0 BAADRO CN(CCCNC(=O)C1([NH3+])CC1)S(C)(=O)=O ZINC000647982808 385936221 /nfs/dbraw/zinc/93/62/21/385936221.db2.gz MPANSDLZZNZDFZ-UHFFFAOYSA-N 1 0 249.336 -1.125 20 0 BAADRO CN(CC[NH3+])CCN1CCCS1(=O)=O ZINC000647995210 386544183 /nfs/dbraw/zinc/54/41/83/386544183.db2.gz FNQKEQFWRLQJAO-UHFFFAOYSA-N 1 0 221.326 -1.088 20 0 BAADRO CN1C[C@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1=O ZINC000648037399 386437757 /nfs/dbraw/zinc/43/77/57/386437757.db2.gz PVEUHUKSXDTBFN-ODXREFDESA-N 1 0 223.276 -1.201 20 0 BAADRO CN1C[C@@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1=O ZINC000648037400 386437162 /nfs/dbraw/zinc/43/71/62/386437162.db2.gz PVEUHUKSXDTBFN-QHOPCYEYSA-N 1 0 223.276 -1.201 20 0 BAADRO C[C@@H]1C(=O)NCCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648044200 386528327 /nfs/dbraw/zinc/52/83/27/386528327.db2.gz XBNWWGJUEDRJED-HXFLIBJXSA-N 1 0 223.276 -1.201 20 0 BAADRO C[C@H]1C(=O)NCCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648044201 386528613 /nfs/dbraw/zinc/52/86/13/386528613.db2.gz XBNWWGJUEDRJED-RBXMUDONSA-N 1 0 223.276 -1.201 20 0 BAADRO NC(=O)[C@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000648048413 386580788 /nfs/dbraw/zinc/58/07/88/386580788.db2.gz BOLMALRCFPRERP-GJMOJQLCSA-N 1 0 227.264 -1.564 20 0 BAADRO NC(=O)[C@@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000648048414 386580958 /nfs/dbraw/zinc/58/09/58/386580958.db2.gz BOLMALRCFPRERP-RNJXMRFFSA-N 1 0 227.264 -1.564 20 0 BAADRO CN1CC[C@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1=O ZINC000648080030 387511136 /nfs/dbraw/zinc/51/11/36/387511136.db2.gz QTGVDKIHZLKJJP-UYXSQOIJSA-N 1 0 223.276 -1.201 20 0 BAADRO CN1CC[C@@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1=O ZINC000648080031 387509895 /nfs/dbraw/zinc/50/98/95/387509895.db2.gz QTGVDKIHZLKJJP-XAVMHZPKSA-N 1 0 223.276 -1.201 20 0 BAADRO CN1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1=O ZINC000648084176 387528976 /nfs/dbraw/zinc/52/89/76/387528976.db2.gz MCUFXGCBTSISCB-MBTKJCJQSA-N 1 0 223.276 -1.248 20 0 BAADRO NC(=O)[C@H]1CC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)O1 ZINC000648102229 387008172 /nfs/dbraw/zinc/00/81/72/387008172.db2.gz GRAHRWGUFWLOCM-DJLDLDEBSA-N 1 0 241.291 -1.113 20 0 BAADRO NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)O1 ZINC000648102230 387006892 /nfs/dbraw/zinc/00/68/92/387006892.db2.gz GRAHRWGUFWLOCM-IWSPIJDZSA-N 1 0 241.291 -1.113 20 0 BAADRO C[C@H](C[NH3+])CNC(=O)c1nc2n(n1)CCCN2 ZINC000648104240 387021286 /nfs/dbraw/zinc/02/12/86/387021286.db2.gz RHCDYLGVPCYJGW-SSDOTTSWSA-N 1 0 238.295 -1.324 20 0 BAADRO C[C@@H](C[NH3+])CNC(=O)c1nc2n(n1)CCCN2 ZINC000648104241 387021785 /nfs/dbraw/zinc/02/17/85/387021785.db2.gz RHCDYLGVPCYJGW-ZETCQYMHSA-N 1 0 238.295 -1.324 20 0 BAADRO C[C@H](C[NH3+])CNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC000648104382 387021229 /nfs/dbraw/zinc/02/12/29/387021229.db2.gz XGMGPCYCMUTKSO-HTQZYQBOSA-N 1 0 249.336 -1.269 20 0 BAADRO C[C@@H](C[NH3+])CNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC000648104383 387020652 /nfs/dbraw/zinc/02/06/52/387020652.db2.gz XGMGPCYCMUTKSO-JGVFFNPUSA-N 1 0 249.336 -1.269 20 0 BAADRO C[C@H](C[NH3+])CNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000648104384 387021228 /nfs/dbraw/zinc/02/12/28/387021228.db2.gz XGMGPCYCMUTKSO-SFYZADRCSA-N 1 0 249.336 -1.269 20 0 BAADRO C[C@@H](C[NH3+])CNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000648104385 387021521 /nfs/dbraw/zinc/02/15/21/387021521.db2.gz XGMGPCYCMUTKSO-YUMQZZPRSA-N 1 0 249.336 -1.269 20 0 BAADRO C[C@H](CC[NH3+])NC(=O)c1nc2n(n1)CCCN2 ZINC000648107722 387047692 /nfs/dbraw/zinc/04/76/92/387047692.db2.gz JTBWTXVIDQLMJF-SSDOTTSWSA-N 1 0 238.295 -1.182 20 0 BAADRO C[C@@H](CC[NH3+])NC(=O)c1nc2n(n1)CCCN2 ZINC000648107723 387047333 /nfs/dbraw/zinc/04/73/33/387047333.db2.gz JTBWTXVIDQLMJF-ZETCQYMHSA-N 1 0 238.295 -1.182 20 0 BAADRO C[C@H](CC[NH3+])NC(=O)[C@H]1CCN(C)S1(=O)=O ZINC000648107861 387050195 /nfs/dbraw/zinc/05/01/95/387050195.db2.gz WWWUDNZQEXRKPY-HTQZYQBOSA-N 1 0 249.336 -1.126 20 0 BAADRO C[C@@H](CC[NH3+])NC(=O)[C@H]1CCN(C)S1(=O)=O ZINC000648107862 387049355 /nfs/dbraw/zinc/04/93/55/387049355.db2.gz WWWUDNZQEXRKPY-JGVFFNPUSA-N 1 0 249.336 -1.126 20 0 BAADRO C[C@H](CC[NH3+])NC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000648107863 387050238 /nfs/dbraw/zinc/05/02/38/387050238.db2.gz WWWUDNZQEXRKPY-SFYZADRCSA-N 1 0 249.336 -1.126 20 0 BAADRO C[C@@H](CC[NH3+])NC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000648107864 387049197 /nfs/dbraw/zinc/04/91/97/387049197.db2.gz WWWUDNZQEXRKPY-YUMQZZPRSA-N 1 0 249.336 -1.126 20 0 BAADRO C[C@H](C[NH3+])NC(=O)CN1CCOCC1 ZINC000648110515 387556930 /nfs/dbraw/zinc/55/69/30/387556930.db2.gz RSDJFZQIGPZGFY-MRVPVSSYSA-N 1 0 201.270 -1.218 20 0 BAADRO C[C@H](C[NH3+])NC(=O)c1nc2n(n1)CCCN2 ZINC000648110630 387594133 /nfs/dbraw/zinc/59/41/33/387594133.db2.gz YBESTEFKGLABLT-ZCFIWIBFSA-N 1 0 224.268 -1.572 20 0 BAADRO O=C(Cn1cnnn1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000648123131 387377956 /nfs/dbraw/zinc/37/79/56/387377956.db2.gz KKMHIMXMLXUCRJ-BDAKNGLRSA-N 1 0 236.279 -1.117 20 0 BAADRO O=C(Cn1cnnn1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000648123132 387379195 /nfs/dbraw/zinc/37/91/95/387379195.db2.gz KKMHIMXMLXUCRJ-DTWKUNHWSA-N 1 0 236.279 -1.117 20 0 BAADRO O=C(Cn1cnnn1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000648123133 387377495 /nfs/dbraw/zinc/37/74/95/387377495.db2.gz KKMHIMXMLXUCRJ-IUCAKERBSA-N 1 0 236.279 -1.117 20 0 BAADRO O=C(Cn1cnnn1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000648123134 387377522 /nfs/dbraw/zinc/37/75/22/387377522.db2.gz KKMHIMXMLXUCRJ-RKDXNWHRSA-N 1 0 236.279 -1.117 20 0 BAADRO C[C@H]([NH3+])CNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000648128914 384078149 /nfs/dbraw/zinc/07/81/49/384078149.db2.gz ZYGFMNXIJJNTBS-LURJTMIESA-N 1 0 242.279 -1.220 20 0 BAADRO C[C@@H]([NH3+])CNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000648128915 384077365 /nfs/dbraw/zinc/07/73/65/384077365.db2.gz ZYGFMNXIJJNTBS-ZCFIWIBFSA-N 1 0 242.279 -1.220 20 0 BAADRO C[C@@H]([NH3+])CNC(=O)CCS(=O)(=O)N(C)C ZINC000648129178 384086912 /nfs/dbraw/zinc/08/69/12/384086912.db2.gz MLVTZIOZDJRKLC-SSDOTTSWSA-N 1 0 237.325 -1.269 20 0 BAADRO C[C@H]([NH3+])CNC(=O)CCS(=O)(=O)N(C)C ZINC000648129179 384086003 /nfs/dbraw/zinc/08/60/03/384086003.db2.gz MLVTZIOZDJRKLC-ZETCQYMHSA-N 1 0 237.325 -1.269 20 0 BAADRO C[C@H]([NH3+])CNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000648129242 384081610 /nfs/dbraw/zinc/08/16/10/384081610.db2.gz PSXFOTHPVSOGKB-LURJTMIESA-N 1 0 242.279 -1.220 20 0 BAADRO C[C@@H]([NH3+])CNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000648129243 384079534 /nfs/dbraw/zinc/07/95/34/384079534.db2.gz PSXFOTHPVSOGKB-ZCFIWIBFSA-N 1 0 242.279 -1.220 20 0 BAADRO C[C@@H]([NH3+])CNC(=O)CN1CCOCC1 ZINC000648129320 384082286 /nfs/dbraw/zinc/08/22/86/384082286.db2.gz SGEVQPUXEUMLDN-MRVPVSSYSA-N 1 0 201.270 -1.218 20 0 BAADRO C[C@H]([NH3+])CNC(=O)CN1CCOCC1 ZINC000648129321 384082809 /nfs/dbraw/zinc/08/28/09/384082809.db2.gz SGEVQPUXEUMLDN-QMMMGPOBSA-N 1 0 201.270 -1.218 20 0 BAADRO C[C@@H]([NH3+])CNC(=O)CCN1CCCS1(=O)=O ZINC000648129344 384083593 /nfs/dbraw/zinc/08/35/93/384083593.db2.gz UMPKYZLRIBGAOI-MRVPVSSYSA-N 1 0 249.336 -1.125 20 0 BAADRO C[C@H]([NH3+])CNC(=O)CCN1CCCS1(=O)=O ZINC000648129345 384082788 /nfs/dbraw/zinc/08/27/88/384082788.db2.gz UMPKYZLRIBGAOI-QMMMGPOBSA-N 1 0 249.336 -1.125 20 0 BAADRO C[C@H]([NH3+])CNC(=O)c1nc2n(n1)CCCN2 ZINC000648129679 384088669 /nfs/dbraw/zinc/08/86/69/384088669.db2.gz UZWPQPJITFGIQF-LURJTMIESA-N 1 0 224.268 -1.572 20 0 BAADRO C[C@@H]([NH3+])CNC(=O)c1nc2n(n1)CCCN2 ZINC000648129680 384089333 /nfs/dbraw/zinc/08/93/33/384089333.db2.gz UZWPQPJITFGIQF-ZCFIWIBFSA-N 1 0 224.268 -1.572 20 0 BAADRO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCN(CCO)CC1 ZINC000648136167 384155527 /nfs/dbraw/zinc/15/55/27/384155527.db2.gz BGLHXKNGGBCPOY-URLYPYJESA-N 1 0 239.319 -1.412 20 0 BAADRO O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCN(CCO)CC1 ZINC000648136323 384155981 /nfs/dbraw/zinc/15/59/81/384155981.db2.gz YBKTWFCHEIKGFV-MXWKQRLJSA-N 1 0 239.319 -1.127 20 0 BAADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1nc2n(n1)CCCN2 ZINC000648140110 384167252 /nfs/dbraw/zinc/16/72/52/384167252.db2.gz DIXLOUFOQNLLGZ-JIGDXULJSA-N 1 0 248.290 -1.701 20 0 BAADRO C[C@H]([NH3+])[C@H](C)NC(=O)c1nc2n(n1)CCCN2 ZINC000648145187 384440992 /nfs/dbraw/zinc/44/09/92/384440992.db2.gz OZXZTENWSNAWRY-BQBZGAKWSA-N 1 0 238.295 -1.183 20 0 BAADRO C[C@@H](NC(=O)c1nc2n(n1)CCCN2)[C@H](C)[NH3+] ZINC000648145188 384442618 /nfs/dbraw/zinc/44/26/18/384442618.db2.gz OZXZTENWSNAWRY-NKWVEPMBSA-N 1 0 238.295 -1.183 20 0 BAADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1nc2n(n1)CCCN2 ZINC000648145189 384443027 /nfs/dbraw/zinc/44/30/27/384443027.db2.gz OZXZTENWSNAWRY-RNFRBKRXSA-N 1 0 238.295 -1.183 20 0 BAADRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1nc2n(n1)CCCN2 ZINC000648145190 384446344 /nfs/dbraw/zinc/44/63/44/384446344.db2.gz OZXZTENWSNAWRY-RQJHMYQMSA-N 1 0 238.295 -1.183 20 0 BAADRO C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1CCN(C)S1(=O)=O ZINC000648145304 384447848 /nfs/dbraw/zinc/44/78/48/384447848.db2.gz AXCOURBKHHSYAO-BIIVOSGPSA-N 1 0 249.336 -1.128 20 0 BAADRO C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000648145305 384447465 /nfs/dbraw/zinc/44/74/65/384447465.db2.gz AXCOURBKHHSYAO-FXQIFTODSA-N 1 0 249.336 -1.128 20 0 BAADRO C[C@@H](NC(=O)[C@@H]1CCN(C)S1(=O)=O)[C@H](C)[NH3+] ZINC000648145306 384448112 /nfs/dbraw/zinc/44/81/12/384448112.db2.gz AXCOURBKHHSYAO-RNJXMRFFSA-N 1 0 249.336 -1.128 20 0 BAADRO C[C@@H](NC(=O)[C@H]1CCN(C)S1(=O)=O)[C@H](C)[NH3+] ZINC000648145307 384447645 /nfs/dbraw/zinc/44/76/45/384447645.db2.gz AXCOURBKHHSYAO-XLPZGREQSA-N 1 0 249.336 -1.128 20 0 BAADRO CC[C@@H]([NH3+])CNC(=O)c1nc2n(n1)CCCN2 ZINC000648145847 384448143 /nfs/dbraw/zinc/44/81/43/384448143.db2.gz PWMFMLLUBPCMJR-SSDOTTSWSA-N 1 0 238.295 -1.182 20 0 BAADRO CC[C@H]([NH3+])CNC(=O)c1nc2n(n1)CCCN2 ZINC000648145848 384448397 /nfs/dbraw/zinc/44/83/97/384448397.db2.gz PWMFMLLUBPCMJR-ZETCQYMHSA-N 1 0 238.295 -1.182 20 0 BAADRO CC[C@@H]([NH3+])CNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC000648145875 384448352 /nfs/dbraw/zinc/44/83/52/384448352.db2.gz TTYNOWZZZGDLQY-HTQZYQBOSA-N 1 0 249.336 -1.126 20 0 BAADRO CC[C@H]([NH3+])CNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC000648145876 384448495 /nfs/dbraw/zinc/44/84/95/384448495.db2.gz TTYNOWZZZGDLQY-JGVFFNPUSA-N 1 0 249.336 -1.126 20 0 BAADRO CC[C@@H]([NH3+])CNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000648145877 384447459 /nfs/dbraw/zinc/44/74/59/384447459.db2.gz TTYNOWZZZGDLQY-SFYZADRCSA-N 1 0 249.336 -1.126 20 0 BAADRO CC[C@H]([NH3+])CNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000648145878 384448200 /nfs/dbraw/zinc/44/82/00/384448200.db2.gz TTYNOWZZZGDLQY-YUMQZZPRSA-N 1 0 249.336 -1.126 20 0 BAADRO CNS(=O)(=O)CC(=O)N(C)C1CC([NH3+])C1 ZINC000648146692 384492539 /nfs/dbraw/zinc/49/25/39/384492539.db2.gz VEUYUMWMBFMZKN-UHFFFAOYSA-N 1 0 235.309 -1.516 20 0 BAADRO NC(=O)CC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000648146981 384500425 /nfs/dbraw/zinc/50/04/25/384500425.db2.gz NNWWPGCHWKTSBN-RXMQYKEDSA-N 1 0 221.207 -1.025 20 0 BAADRO NC(=O)CC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000648146982 384501127 /nfs/dbraw/zinc/50/11/27/384501127.db2.gz NNWWPGCHWKTSBN-YFKPBYRVSA-N 1 0 221.207 -1.025 20 0 BAADRO CN1CCO[C@@H](CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000648151920 385283093 /nfs/dbraw/zinc/28/30/93/385283093.db2.gz ZDCQGNCXGAKGKV-UKKRHICBSA-N 1 0 239.319 -1.101 20 0 BAADRO CN1CCO[C@H](CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000648151921 385282748 /nfs/dbraw/zinc/28/27/48/385282748.db2.gz ZDCQGNCXGAKGKV-ZNSHCXBVSA-N 1 0 239.319 -1.101 20 0 BAADRO CN(C)C(=O)NCCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648154798 384621266 /nfs/dbraw/zinc/62/12/66/384621266.db2.gz OWMVJEVNRMRAMM-BRPSZJMVSA-N 1 0 240.307 -1.161 20 0 BAADRO C[C@H]1C(=O)NCCCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000648154857 384635371 /nfs/dbraw/zinc/63/53/71/384635371.db2.gz BWKBLZGRAYPVTL-IUCAKERBSA-N 1 0 241.291 -1.288 20 0 BAADRO C[C@H]1C(=O)NCCCN1C(=O)COCC[NH3+] ZINC000648154862 384635102 /nfs/dbraw/zinc/63/51/02/384635102.db2.gz CUKDOMVQHJJKOW-QMMMGPOBSA-N 1 0 229.280 -1.301 20 0 BAADRO O=C(NCCn1ncnn1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648156760 384748651 /nfs/dbraw/zinc/74/86/51/384748651.db2.gz CQYVKEBWTDMLEF-PRJMDXOYSA-N 1 0 222.252 -1.460 20 0 BAADRO O=C(NCCn1ncnn1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648156903 384747430 /nfs/dbraw/zinc/74/74/30/384747430.db2.gz VBOIVCGWIWMBJZ-JIGDXULJSA-N 1 0 222.252 -1.745 20 0 BAADRO COCCN1CCCN(C(=O)C[NH3+])CC1=O ZINC000648166667 384105624 /nfs/dbraw/zinc/10/56/24/384105624.db2.gz HVAURQKZCBMJQD-UHFFFAOYSA-N 1 0 229.280 -1.348 20 0 BAADRO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C[NH3+])C1 ZINC000648166676 384107183 /nfs/dbraw/zinc/10/71/83/384107183.db2.gz IOPNHDCMLDBGPW-MRVPVSSYSA-N 1 0 249.336 -1.126 20 0 BAADRO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C[NH3+])C1 ZINC000648166677 384106904 /nfs/dbraw/zinc/10/69/04/384106904.db2.gz IOPNHDCMLDBGPW-QMMMGPOBSA-N 1 0 249.336 -1.126 20 0 BAADRO CC1(C)C[NH2+][C@@H]1C(=O)NCCOCC(N)=O ZINC000648167534 410101890 /nfs/dbraw/zinc/10/18/90/410101890.db2.gz ZMOXXPDCZVFTOR-MRVPVSSYSA-N 1 0 229.280 -1.398 20 0 BAADRO CC1(C)C[NH2+][C@H]1C(=O)NCCOCC(N)=O ZINC000648167535 410101763 /nfs/dbraw/zinc/10/17/63/410101763.db2.gz ZMOXXPDCZVFTOR-QMMMGPOBSA-N 1 0 229.280 -1.398 20 0 BAADRO CN(CC[NH3+])C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000648177879 384591425 /nfs/dbraw/zinc/59/14/25/384591425.db2.gz ZFEQUCFKXJRJNH-SSDOTTSWSA-N 1 0 235.309 -1.563 20 0 BAADRO CN(CC[NH3+])C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000648177880 384591460 /nfs/dbraw/zinc/59/14/60/384591460.db2.gz ZFEQUCFKXJRJNH-ZETCQYMHSA-N 1 0 235.309 -1.563 20 0 BAADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC000648190550 384802986 /nfs/dbraw/zinc/80/29/86/384802986.db2.gz SUBLRZHOKIJAHI-HTQZYQBOSA-N 1 0 241.295 -1.176 20 0 BAADRO C[C@H](C[C@H](C)[NH3+])NC(=O)Cn1ncn(C)c1=O ZINC000648190551 384803964 /nfs/dbraw/zinc/80/39/64/384803964.db2.gz SUBLRZHOKIJAHI-JGVFFNPUSA-N 1 0 241.295 -1.176 20 0 BAADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC000648190552 384803741 /nfs/dbraw/zinc/80/37/41/384803741.db2.gz SUBLRZHOKIJAHI-SFYZADRCSA-N 1 0 241.295 -1.176 20 0 BAADRO C[C@H]([NH3+])C[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC000648190553 384805767 /nfs/dbraw/zinc/80/57/67/384805767.db2.gz SUBLRZHOKIJAHI-YUMQZZPRSA-N 1 0 241.295 -1.176 20 0 BAADRO [NH3+]CC(=O)NCC(=O)NCCOCC1CCC1 ZINC000648192606 384807979 /nfs/dbraw/zinc/80/79/79/384807979.db2.gz TWOPUYUHRVEUFS-UHFFFAOYSA-N 1 0 243.307 -1.006 20 0 BAADRO CN(CCN1CCCS1(=O)=O)C(=O)CC[NH3+] ZINC000648197692 384817383 /nfs/dbraw/zinc/81/73/83/384817383.db2.gz ASMVIUNJSGXRKZ-UHFFFAOYSA-N 1 0 249.336 -1.171 20 0 BAADRO CN(CCN1CCCS1(=O)=O)C(=O)C[NH3+] ZINC000648197876 384818325 /nfs/dbraw/zinc/81/83/25/384818325.db2.gz MVTZRNZZCZCWSP-UHFFFAOYSA-N 1 0 235.309 -1.561 20 0 BAADRO C[NH2+]CC(=O)N(C)CCN1CCCS1(=O)=O ZINC000648197888 384817772 /nfs/dbraw/zinc/81/77/72/384817772.db2.gz NOUGYFBCHBWOQP-UHFFFAOYSA-N 1 0 249.336 -1.300 20 0 BAADRO C[C@@H]([NH3+])C(=O)N(C)CCN1CCCS1(=O)=O ZINC000648198007 384817195 /nfs/dbraw/zinc/81/71/95/384817195.db2.gz VXFUJWMUOBGNBT-MRVPVSSYSA-N 1 0 249.336 -1.173 20 0 BAADRO C[C@H]([NH3+])C(=O)N(C)CCN1CCCS1(=O)=O ZINC000648198008 384817680 /nfs/dbraw/zinc/81/76/80/384817680.db2.gz VXFUJWMUOBGNBT-QMMMGPOBSA-N 1 0 249.336 -1.173 20 0 BAADRO CN1CC[C@H](C(=O)NCC[NH+](C)C)S1(=O)=O ZINC000648713435 388026779 /nfs/dbraw/zinc/02/67/79/388026779.db2.gz CQVAOSBDNXXJJQ-MRVPVSSYSA-N 1 0 249.336 -1.302 20 0 BAADRO CN1CC[C@@H](C(=O)NCC[NH+](C)C)S1(=O)=O ZINC000648713436 388026840 /nfs/dbraw/zinc/02/68/40/388026840.db2.gz CQVAOSBDNXXJJQ-QMMMGPOBSA-N 1 0 249.336 -1.302 20 0 BAADRO C[C@@H]1[C@H](C(=O)NCCOCC(N)=O)CC[N@@H+]1C ZINC000648824979 388415132 /nfs/dbraw/zinc/41/51/32/388415132.db2.gz OYXNGTCZXGVZTB-RKDXNWHRSA-N 1 0 243.307 -1.055 20 0 BAADRO C[C@@H]1[C@H](C(=O)NCC(=O)NCCO)CC[N@@H+]1C ZINC000648826719 388416129 /nfs/dbraw/zinc/41/61/29/388416129.db2.gz GXFDJCFKQSBITP-RKDXNWHRSA-N 1 0 243.307 -1.449 20 0 BAADRO C[C@@H]1[C@H](C(=O)NC(CO)CO)CC[N@@H+]1C ZINC000648847621 388468385 /nfs/dbraw/zinc/46/83/85/388468385.db2.gz IFUMJVARLGXRJB-VXNVDRBHSA-N 1 0 216.281 -1.204 20 0 BAADRO C[C@@H]1[C@H](C(=O)N[C@H]2CN(C)NC2=O)CC[N@@H+]1C ZINC000648852092 388470695 /nfs/dbraw/zinc/47/06/95/388470695.db2.gz NHXWVPQYWMZUMK-HLTSFMKQSA-N 1 0 240.307 -1.212 20 0 BAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C)NC2=O)CC[N@@H+]1C ZINC000648852093 388470354 /nfs/dbraw/zinc/47/03/54/388470354.db2.gz NHXWVPQYWMZUMK-IWSPIJDZSA-N 1 0 240.307 -1.212 20 0 BAADRO C[C@H](O)C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000649071188 388774120 /nfs/dbraw/zinc/77/41/20/388774120.db2.gz FAGGYOYFRWBKKC-BDAKNGLRSA-N 1 0 243.307 -1.054 20 0 BAADRO C[C@@H](O)C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000649071189 388773574 /nfs/dbraw/zinc/77/35/74/388773574.db2.gz FAGGYOYFRWBKKC-DTWKUNHWSA-N 1 0 243.307 -1.054 20 0 BAADRO C[C@H](O)C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000649071190 388773556 /nfs/dbraw/zinc/77/35/56/388773556.db2.gz FAGGYOYFRWBKKC-IUCAKERBSA-N 1 0 243.307 -1.054 20 0 BAADRO C[C@@H](O)C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000649071191 388773909 /nfs/dbraw/zinc/77/39/09/388773909.db2.gz FAGGYOYFRWBKKC-RKDXNWHRSA-N 1 0 243.307 -1.054 20 0 BAADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CO ZINC000649073231 388773084 /nfs/dbraw/zinc/77/30/84/388773084.db2.gz RINMBWFCGRFVNS-MRVPVSSYSA-N 1 0 229.280 -1.443 20 0 BAADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CO ZINC000649073232 388773120 /nfs/dbraw/zinc/77/31/20/388773120.db2.gz RINMBWFCGRFVNS-QMMMGPOBSA-N 1 0 229.280 -1.443 20 0 BAADRO C[C@@H]1C(=O)N(C)CN1C(=O)[C@@H]1CN(C)CCO1 ZINC000649159725 388882821 /nfs/dbraw/zinc/88/28/21/388882821.db2.gz UPCVZDJIYQYNOT-BDAKNGLRSA-N 1 0 241.291 -1.036 20 0 BAADRO C[C@H]1C(=O)N(C)CN1C(=O)[C@H]1CN(C)CCO1 ZINC000649159726 388882912 /nfs/dbraw/zinc/88/29/12/388882912.db2.gz UPCVZDJIYQYNOT-DTWKUNHWSA-N 1 0 241.291 -1.036 20 0 BAADRO C[C@H]1C(=O)N(C)CN1C(=O)[C@@H]1CN(C)CCO1 ZINC000649159727 388882490 /nfs/dbraw/zinc/88/24/90/388882490.db2.gz UPCVZDJIYQYNOT-IUCAKERBSA-N 1 0 241.291 -1.036 20 0 BAADRO C[C@@H]1C(=O)N(C)CN1C(=O)[C@H]1CN(C)CCO1 ZINC000649159728 388882316 /nfs/dbraw/zinc/88/23/16/388882316.db2.gz UPCVZDJIYQYNOT-RKDXNWHRSA-N 1 0 241.291 -1.036 20 0 BAADRO C[C@@H]1[C@H](C(=O)NCCS(N)(=O)=O)CC[N@@H+]1C ZINC000649209858 398129635 /nfs/dbraw/zinc/12/96/35/398129635.db2.gz YSBXFTNGUCCCHZ-HTQZYQBOSA-N 1 0 249.336 -1.269 20 0 BAADRO O=C(NCCN1CCOCC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649276363 388496104 /nfs/dbraw/zinc/49/61/04/388496104.db2.gz RHNZIKKJIVDCRE-URLYPYJESA-N 1 0 239.319 -1.100 20 0 BAADRO COCCN1CCN(C(=O)COCC[NH3+])CC1 ZINC000649283459 388529496 /nfs/dbraw/zinc/52/94/96/388529496.db2.gz CCOXRACHRIJEHH-UHFFFAOYSA-N 1 0 245.323 -1.248 20 0 BAADRO O=C(NCCNc1cnccn1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649294477 388572650 /nfs/dbraw/zinc/57/26/50/388572650.db2.gz YGXYCVLJIMNWSM-JZYVYDRUSA-N 1 0 247.302 -1.108 20 0 BAADRO C[C@H]1CN(CCNC(=O)COCC[NH3+])CCO1 ZINC000649312315 388599676 /nfs/dbraw/zinc/59/96/76/388599676.db2.gz GPZHQIJTVGRTED-JTQLQIEISA-N 1 0 245.323 -1.201 20 0 BAADRO C[C@@H]1CN(CCNC(=O)COCC[NH3+])CCO1 ZINC000649312316 388599967 /nfs/dbraw/zinc/59/99/67/388599967.db2.gz GPZHQIJTVGRTED-SNVBAGLBSA-N 1 0 245.323 -1.201 20 0 BAADRO C[NH+](C)CCN1CCN(C(N)=O)CC1=O ZINC000649492065 398290400 /nfs/dbraw/zinc/29/04/00/398290400.db2.gz KHOHBNBJHIRRIW-UHFFFAOYSA-N 1 0 214.269 -1.229 20 0 BAADRO CNC(=O)CN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685268 398035476 /nfs/dbraw/zinc/03/54/76/398035476.db2.gz VACLIFCLMDIOOW-UHFFFAOYSA-N 1 0 242.323 -1.562 20 0 BAADRO C[C@H](C(N)=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649686040 490200126 /nfs/dbraw/zinc/20/01/26/490200126.db2.gz WAKDGVGCENETCN-SECBINFHSA-N 1 0 242.323 -1.434 20 0 BAADRO C[C@@H](C(N)=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649686041 490200242 /nfs/dbraw/zinc/20/02/42/490200242.db2.gz WAKDGVGCENETCN-VIFPVBQESA-N 1 0 242.323 -1.434 20 0 BAADRO C[NH+](C)CCN1CCN(CCO)CC1=O ZINC000649687606 398036495 /nfs/dbraw/zinc/03/64/95/398036495.db2.gz YALGMIKJAMMDCC-UHFFFAOYSA-N 1 0 215.297 -1.316 20 0 BAADRO C[NH+](C)CCN1CCN(CC(N)=O)CC1=O ZINC000649688479 398036582 /nfs/dbraw/zinc/03/65/82/398036582.db2.gz DTEUJPOTYNGUSZ-UHFFFAOYSA-N 1 0 228.296 -1.823 20 0 BAADRO CNC(=O)C[N@@H+]1C[C@H](O)C[C@H]1COC ZINC000649741958 398080414 /nfs/dbraw/zinc/08/04/14/398080414.db2.gz KFCPKWKOMGOKCK-JGVFFNPUSA-N 1 0 202.254 -1.186 20 0 BAADRO CNC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1COC ZINC000649761053 398090458 /nfs/dbraw/zinc/09/04/58/398090458.db2.gz KFCPKWKOMGOKCK-HTQZYQBOSA-N 1 0 202.254 -1.186 20 0 BAADRO C[C@H](CCO)[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000649864491 398146234 /nfs/dbraw/zinc/14/62/34/398146234.db2.gz CORLCAUCVQAUBS-SECBINFHSA-N 1 0 243.307 -1.353 20 0 BAADRO C[C@@H](CCO)[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000649864492 398146052 /nfs/dbraw/zinc/14/60/52/398146052.db2.gz CORLCAUCVQAUBS-VIFPVBQESA-N 1 0 243.307 -1.353 20 0 BAADRO COCC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650302583 398080569 /nfs/dbraw/zinc/08/05/69/398080569.db2.gz ROXXNPQQTOQFEN-UHFFFAOYSA-N 1 0 243.307 -1.135 20 0 BAADRO C[NH+](C)CCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000650988926 410679531 /nfs/dbraw/zinc/67/95/31/410679531.db2.gz TZVVSGRUWHUWPN-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO C[NH+](C)CCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000650988927 410679347 /nfs/dbraw/zinc/67/93/47/410679347.db2.gz TZVVSGRUWHUWPN-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO C[C@H](CNC(=O)C1(S(N)(=O)=O)CC1)[NH+](C)C ZINC000651088544 410792333 /nfs/dbraw/zinc/79/23/33/410792333.db2.gz BPXYLOYJIKRHJS-SSDOTTSWSA-N 1 0 249.336 -1.126 20 0 BAADRO C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)[NH+](C)C ZINC000651089883 410797540 /nfs/dbraw/zinc/79/75/40/410797540.db2.gz UCEXDRQVPFIGPQ-HTQZYQBOSA-N 1 0 249.336 -1.256 20 0 BAADRO C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)[NH+](C)C ZINC000651089884 410797066 /nfs/dbraw/zinc/79/70/66/410797066.db2.gz UCEXDRQVPFIGPQ-JGVFFNPUSA-N 1 0 249.336 -1.256 20 0 BAADRO C[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)[NH+](C)C ZINC000651089885 410797128 /nfs/dbraw/zinc/79/71/28/410797128.db2.gz UCEXDRQVPFIGPQ-SFYZADRCSA-N 1 0 249.336 -1.256 20 0 BAADRO C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)[NH+](C)C ZINC000651089886 410798318 /nfs/dbraw/zinc/79/83/18/410798318.db2.gz UCEXDRQVPFIGPQ-YUMQZZPRSA-N 1 0 249.336 -1.256 20 0 BAADRO CC[N@H+](C)CCNC(=O)C1(S(N)(=O)=O)CC1 ZINC000651334732 410922084 /nfs/dbraw/zinc/92/20/84/410922084.db2.gz ONMVYHHPPSRUGH-UHFFFAOYSA-N 1 0 249.336 -1.125 20 0 BAADRO CN(CC[NH+](C)C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000651428924 411016482 /nfs/dbraw/zinc/01/64/82/411016482.db2.gz VJDFWBPLOPEJDV-MRVPVSSYSA-N 1 0 249.336 -1.302 20 0 BAADRO CN(CC[NH+](C)C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000651428925 411017068 /nfs/dbraw/zinc/01/70/68/411017068.db2.gz VJDFWBPLOPEJDV-QMMMGPOBSA-N 1 0 249.336 -1.302 20 0 BAADRO O=C(NCC[NH+]1CCC1)[C@H]1CCS(=O)(=O)N1 ZINC000651563953 411123420 /nfs/dbraw/zinc/12/34/20/411123420.db2.gz OBLAMOYAKNUUCE-MRVPVSSYSA-N 1 0 247.320 -1.500 20 0 BAADRO O=C(NCC[NH+]1CCC1)[C@@H]1CCS(=O)(=O)N1 ZINC000651563954 411122810 /nfs/dbraw/zinc/12/28/10/411122810.db2.gz OBLAMOYAKNUUCE-QMMMGPOBSA-N 1 0 247.320 -1.500 20 0 BAADRO C[NH+](C)C1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC000651606610 411129444 /nfs/dbraw/zinc/12/94/44/411129444.db2.gz SENVOIYVYYKDMN-MRVPVSSYSA-N 1 0 247.320 -1.550 20 0 BAADRO C[NH+](C)C1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC000651606611 411129289 /nfs/dbraw/zinc/12/92/89/411129289.db2.gz SENVOIYVYYKDMN-QMMMGPOBSA-N 1 0 247.320 -1.550 20 0 BAADRO C[NH+](C)CCN1CCN(S(C)(=O)=O)CC1=O ZINC000651792355 411144203 /nfs/dbraw/zinc/14/42/03/411144203.db2.gz QQZXJBFIGNNJTK-UHFFFAOYSA-N 1 0 249.336 -1.348 20 0 BAADRO CN(C)S(=O)(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC000651881870 411148974 /nfs/dbraw/zinc/14/89/74/411148974.db2.gz SGIDZQFBHBUFFJ-SECBINFHSA-N 1 0 249.336 -1.456 20 0 BAADRO CS(=O)(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC000651881894 411149026 /nfs/dbraw/zinc/14/90/26/411149026.db2.gz UCARVUWORSVQOH-MRVPVSSYSA-N 1 0 220.294 -1.303 20 0 BAADRO CCNS(=O)(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC000651882101 411149010 /nfs/dbraw/zinc/14/90/10/411149010.db2.gz BHFQPWXMEHIMRD-SECBINFHSA-N 1 0 249.336 -1.409 20 0 BAADRO C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000652166256 411164872 /nfs/dbraw/zinc/16/48/72/411164872.db2.gz NEXDIDHUTXJKNQ-JGVFFNPUSA-N 1 0 249.336 -1.256 20 0 BAADRO C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000652166257 411165236 /nfs/dbraw/zinc/16/52/36/411165236.db2.gz NEXDIDHUTXJKNQ-YUMQZZPRSA-N 1 0 249.336 -1.256 20 0 BAADRO NC(=O)[C@H]1C[C@@H](NC(=O)NCC[NH3+])C1 ZINC000652202657 411170810 /nfs/dbraw/zinc/17/08/10/411170810.db2.gz PVOGEOOEKMLHKG-OLQVQODUSA-N 1 0 200.242 -1.492 20 0 BAADRO NC(=O)[C@H]1C[C@@H](NC(=O)NCCC[NH3+])C1 ZINC000652203469 411171322 /nfs/dbraw/zinc/17/13/22/411171322.db2.gz NCGXNQCCBBLBDN-KNVOCYPGSA-N 1 0 214.269 -1.102 20 0 BAADRO C[NH2+]CCNC(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000652204289 411168264 /nfs/dbraw/zinc/16/82/64/411168264.db2.gz MSKPZFKUXHMMLF-KNVOCYPGSA-N 1 0 214.269 -1.231 20 0 BAADRO NC(=O)[C@H]1C[C@@H](NC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000652205031 411169609 /nfs/dbraw/zinc/16/96/09/411169609.db2.gz KWSSFJHPFYFSOS-BIIVOSGPSA-N 1 0 226.280 -1.089 20 0 BAADRO CN1CCN(C(=O)NCC2C[NH2+]C2)CC1=O ZINC000652211067 411171288 /nfs/dbraw/zinc/17/12/88/411171288.db2.gz UFLRNIYUXBJMRM-UHFFFAOYSA-N 1 0 226.280 -1.311 20 0 BAADRO C[C@H](C[NH3+])NC(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000652214201 411172717 /nfs/dbraw/zinc/17/27/17/411172717.db2.gz YPNDBXSPLUENEU-QYNIQEEDSA-N 1 0 214.269 -1.103 20 0 BAADRO C[C@H]([NH3+])CNC(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000652217636 411173284 /nfs/dbraw/zinc/17/32/84/411173284.db2.gz CMTRHOMPXICCSV-LYFYHCNISA-N 1 0 214.269 -1.103 20 0 BAADRO C[C@@H]([NH3+])CNC(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000652217637 411173445 /nfs/dbraw/zinc/17/34/45/411173445.db2.gz CMTRHOMPXICCSV-QYNIQEEDSA-N 1 0 214.269 -1.103 20 0 BAADRO C[C@@H]([NH3+])CNC(=O)N1CCN(C)C(=O)C1 ZINC000652218080 411173438 /nfs/dbraw/zinc/17/34/38/411173438.db2.gz VRTVGMKTZDPLSG-SSDOTTSWSA-N 1 0 214.269 -1.183 20 0 BAADRO C[C@H]([NH3+])CNC(=O)N1CCN(C)C(=O)C1 ZINC000652218081 411173109 /nfs/dbraw/zinc/17/31/09/411173109.db2.gz VRTVGMKTZDPLSG-ZETCQYMHSA-N 1 0 214.269 -1.183 20 0 BAADRO CN1CCN(C(=O)NC/C=C\C[NH3+])CC1=O ZINC000652219694 487884889 /nfs/dbraw/zinc/88/48/89/487884889.db2.gz IRXMSNYBYCPASK-IHWYPQMZSA-N 1 0 226.280 -1.015 20 0 BAADRO CN1CCN(C(=O)NC/C=C/C[NH3+])CC1=O ZINC000652219695 487884894 /nfs/dbraw/zinc/88/48/94/487884894.db2.gz IRXMSNYBYCPASK-NSCUHMNNSA-N 1 0 226.280 -1.015 20 0 BAADRO NC(=O)[C@H]1C[C@@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000652220596 487885582 /nfs/dbraw/zinc/88/55/82/487885582.db2.gz DUFKBZQTTIEPSV-MTSMAUNKSA-N 1 0 238.291 -1.233 20 0 BAADRO NC(=O)[C@H]1C[C@@H](NC(=O)N2CC[NH2+]CC2)C1 ZINC000652230289 487884921 /nfs/dbraw/zinc/88/49/21/487884921.db2.gz ACTZGBFNOZQMGH-OCAPTIKFSA-N 1 0 226.280 -1.135 20 0 BAADRO CN(CC[NH3+])C(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000652230369 487884686 /nfs/dbraw/zinc/88/46/86/487884686.db2.gz GEVIYYNCNRRVEW-KNVOCYPGSA-N 1 0 214.269 -1.150 20 0 BAADRO NC(=O)[C@H]1C[C@@H](NC(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000652230467 487884537 /nfs/dbraw/zinc/88/45/37/487884537.db2.gz LBFHWWVRDXQEQI-BIIVOSGPSA-N 1 0 226.280 -1.007 20 0 BAADRO NC(=O)[C@H]1C[C@@H](NC(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000652230468 487885055 /nfs/dbraw/zinc/88/50/55/487885055.db2.gz LBFHWWVRDXQEQI-PRJMDXOYSA-N 1 0 226.280 -1.007 20 0 BAADRO [NH3+]CC1(CCNC(=O)NC(CO)CO)CC1 ZINC000652240603 411178530 /nfs/dbraw/zinc/17/85/30/411178530.db2.gz IOJKHQZKFYYUPK-UHFFFAOYSA-N 1 0 231.296 -1.232 20 0 BAADRO [NH3+]CCCNS(=O)(=O)N1CCCOCC1 ZINC000652364792 487934347 /nfs/dbraw/zinc/93/43/47/487934347.db2.gz IIISNLTVWZGNMT-UHFFFAOYSA-N 1 0 237.325 -1.108 20 0 BAADRO [NH3+][C@@H]1CCN(S(=O)(=O)N2CCCOCC2)C1 ZINC000652365204 411218558 /nfs/dbraw/zinc/21/85/58/411218558.db2.gz XVAQAIGIGWECGJ-SECBINFHSA-N 1 0 249.336 -1.014 20 0 BAADRO [NH3+]CCNS(=O)(=O)N1CCCOCC1 ZINC000652365223 411217761 /nfs/dbraw/zinc/21/77/61/411217761.db2.gz YKHFTRVMWXPSCI-UHFFFAOYSA-N 1 0 223.298 -1.498 20 0 BAADRO O=S(=O)(N[C@H]1CC[NH2+]C1)N1CCCOCC1 ZINC000652365330 411218076 /nfs/dbraw/zinc/21/80/76/411218076.db2.gz FODVGMROSVKFOM-VIFPVBQESA-N 1 0 249.336 -1.095 20 0 BAADRO C[NH2+]CCNS(=O)(=O)N1CCCOCC1 ZINC000652365427 411218641 /nfs/dbraw/zinc/21/86/41/411218641.db2.gz MWCBHFVQKPOKGK-UHFFFAOYSA-N 1 0 237.325 -1.238 20 0 BAADRO [NH3+][C@H]1CCN(S(=O)(=O)N2CCCOCC2)C1 ZINC000652365572 411218430 /nfs/dbraw/zinc/21/84/30/411218430.db2.gz XVAQAIGIGWECGJ-VIFPVBQESA-N 1 0 249.336 -1.014 20 0 BAADRO O=S(=O)(NC1C[NH2+]C1)N1CCCOCC1 ZINC000652365894 411218061 /nfs/dbraw/zinc/21/80/61/411218061.db2.gz POWAOJXGFCXHMI-UHFFFAOYSA-N 1 0 235.309 -1.485 20 0 BAADRO C[C@H](C[NH3+])NS(=O)(=O)N1CCCOCC1 ZINC000652367899 411219821 /nfs/dbraw/zinc/21/98/21/411219821.db2.gz OCGLFHAFOXIYIU-MRVPVSSYSA-N 1 0 237.325 -1.110 20 0 BAADRO C[C@@H]([NH3+])CNS(=O)(=O)N1CCCOCC1 ZINC000652368581 411219825 /nfs/dbraw/zinc/21/98/25/411219825.db2.gz KJLABQPIHHYRPQ-MRVPVSSYSA-N 1 0 237.325 -1.110 20 0 BAADRO C[C@H]([NH3+])CNS(=O)(=O)N1CCCOCC1 ZINC000652368582 411219159 /nfs/dbraw/zinc/21/91/59/411219159.db2.gz KJLABQPIHHYRPQ-QMMMGPOBSA-N 1 0 237.325 -1.110 20 0 BAADRO CN(C1C[NH2+]C1)S(=O)(=O)N1CCCOCC1 ZINC000652370061 411219589 /nfs/dbraw/zinc/21/95/89/411219589.db2.gz NVEPYHBJQPCGJV-UHFFFAOYSA-N 1 0 249.336 -1.143 20 0 BAADRO CN(CC[NH3+])S(=O)(=O)N1CCCOCC1 ZINC000652372418 411219699 /nfs/dbraw/zinc/21/96/99/411219699.db2.gz JVIXHWMNODYNPX-UHFFFAOYSA-N 1 0 237.325 -1.156 20 0 BAADRO [NH3+]CCCNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000652693770 411110198 /nfs/dbraw/zinc/11/01/98/411110198.db2.gz DDDJCIASDFRMRU-HLTSFMKQSA-N 1 0 241.291 -1.113 20 0 BAADRO C[C@H](COCC1CC1)NC(=O)C(=O)NCC[NH3+] ZINC000652693967 411110642 /nfs/dbraw/zinc/11/06/42/411110642.db2.gz KNEQCOYXZABDLM-MRVPVSSYSA-N 1 0 243.307 -1.007 20 0 BAADRO C[C@@H](COCC1CC1)NC(=O)C(=O)NCC[NH3+] ZINC000652693968 411110406 /nfs/dbraw/zinc/11/04/06/411110406.db2.gz KNEQCOYXZABDLM-QMMMGPOBSA-N 1 0 243.307 -1.007 20 0 BAADRO C[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000652695929 411384270 /nfs/dbraw/zinc/38/42/70/411384270.db2.gz CRZFVBUZQOPPFN-SSDOTTSWSA-N 1 0 242.279 -2.250 20 0 BAADRO C[C@H]([NH3+])CNC(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000652695930 411384376 /nfs/dbraw/zinc/38/43/76/411384376.db2.gz CRZFVBUZQOPPFN-ZETCQYMHSA-N 1 0 242.279 -2.250 20 0 BAADRO C[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000652695963 411384409 /nfs/dbraw/zinc/38/44/09/411384409.db2.gz DGLMQAOXXDHSAC-BGZDPUMWSA-N 1 0 241.291 -1.114 20 0 BAADRO C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000652695964 411384235 /nfs/dbraw/zinc/38/42/35/411384235.db2.gz DGLMQAOXXDHSAC-KDXUFGMBSA-N 1 0 241.291 -1.114 20 0 BAADRO C[NH2+]CCNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000652696777 411386795 /nfs/dbraw/zinc/38/67/95/411386795.db2.gz QWMXTRUQRNAPRC-HLTSFMKQSA-N 1 0 241.291 -1.242 20 0 BAADRO O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000652697413 411390516 /nfs/dbraw/zinc/39/05/16/411390516.db2.gz DSEODWDPXOBNCG-HLTSFMKQSA-N 1 0 239.275 -1.490 20 0 BAADRO CN1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1=O ZINC000652698056 411396647 /nfs/dbraw/zinc/39/66/47/411396647.db2.gz UIXLFYNVLHUXRX-UHFFFAOYSA-N 1 0 240.263 -2.625 20 0 BAADRO C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000652700187 487543341 /nfs/dbraw/zinc/54/33/41/487543341.db2.gz MMADECKFUIUTRB-BGZDPUMWSA-N 1 0 241.291 -1.114 20 0 BAADRO CN(CC[NH3+])C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000652709141 411401728 /nfs/dbraw/zinc/40/17/28/411401728.db2.gz KLKJZIWITALPBZ-HLTSFMKQSA-N 1 0 241.291 -1.160 20 0 BAADRO C[NH+](C)CCN1CCN(C(=O)CO)CC1=O ZINC000652734304 411462843 /nfs/dbraw/zinc/46/28/43/411462843.db2.gz FASJYXFUOHZRRX-UHFFFAOYSA-N 1 0 229.280 -1.789 20 0 BAADRO C[C@@H](O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652734733 411463401 /nfs/dbraw/zinc/46/34/01/411463401.db2.gz URJFPEJWXGVFOC-SECBINFHSA-N 1 0 243.307 -1.400 20 0 BAADRO C[C@H](O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652734734 411463386 /nfs/dbraw/zinc/46/33/86/411463386.db2.gz URJFPEJWXGVFOC-VIFPVBQESA-N 1 0 243.307 -1.400 20 0 BAADRO C[NH+](C)CC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000652766832 487939214 /nfs/dbraw/zinc/93/92/14/487939214.db2.gz AAZGARZVXNYZJN-MRVPVSSYSA-N 1 0 249.336 -1.302 20 0 BAADRO C[NH+](C)CC(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000652766833 487939382 /nfs/dbraw/zinc/93/93/82/487939382.db2.gz AAZGARZVXNYZJN-QMMMGPOBSA-N 1 0 249.336 -1.302 20 0 BAADRO C[NH+](C)CC(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC000652889363 411261133 /nfs/dbraw/zinc/26/11/33/411261133.db2.gz QACWPXDOHAIKTJ-SNVBAGLBSA-N 1 0 227.308 -1.175 20 0 BAADRO [NH3+]CCNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC000653043017 411401547 /nfs/dbraw/zinc/40/15/47/411401547.db2.gz UWKIPHGOFXKNGR-UHFFFAOYSA-N 1 0 239.279 -1.544 20 0 BAADRO CC[NH2+]CCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000653045544 411402333 /nfs/dbraw/zinc/40/23/33/411402333.db2.gz WXWYGFSUHTZJFZ-MRVPVSSYSA-N 1 0 249.336 -1.206 20 0 BAADRO CC[NH2+]CCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000653045545 411402621 /nfs/dbraw/zinc/40/26/21/411402621.db2.gz WXWYGFSUHTZJFZ-QMMMGPOBSA-N 1 0 249.336 -1.206 20 0 BAADRO C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000653046697 411402633 /nfs/dbraw/zinc/40/26/33/411402633.db2.gz KRZWEVJZULWBAZ-HTQZYQBOSA-N 1 0 247.320 -1.502 20 0 BAADRO C[C@H]1C[NH2+]CCN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000653046698 411402666 /nfs/dbraw/zinc/40/26/66/411402666.db2.gz KRZWEVJZULWBAZ-JGVFFNPUSA-N 1 0 247.320 -1.502 20 0 BAADRO C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000653046699 411402909 /nfs/dbraw/zinc/40/29/09/411402909.db2.gz KRZWEVJZULWBAZ-SFYZADRCSA-N 1 0 247.320 -1.502 20 0 BAADRO C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000653046700 411403127 /nfs/dbraw/zinc/40/31/27/411403127.db2.gz KRZWEVJZULWBAZ-YUMQZZPRSA-N 1 0 247.320 -1.502 20 0 BAADRO O=C(NC[C@H]1CCC[NH2+]1)[C@H]1CCS(=O)(=O)N1 ZINC000653048192 411404390 /nfs/dbraw/zinc/40/43/90/411404390.db2.gz ORFHENMTCIPJES-HTQZYQBOSA-N 1 0 247.320 -1.454 20 0 BAADRO O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1CCS(=O)(=O)N1 ZINC000653048193 411404089 /nfs/dbraw/zinc/40/40/89/411404089.db2.gz ORFHENMTCIPJES-JGVFFNPUSA-N 1 0 247.320 -1.454 20 0 BAADRO O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1CCS(=O)(=O)N1 ZINC000653048194 411404138 /nfs/dbraw/zinc/40/41/38/411404138.db2.gz ORFHENMTCIPJES-SFYZADRCSA-N 1 0 247.320 -1.454 20 0 BAADRO O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1CCS(=O)(=O)N1 ZINC000653048195 411404059 /nfs/dbraw/zinc/40/40/59/411404059.db2.gz ORFHENMTCIPJES-YUMQZZPRSA-N 1 0 247.320 -1.454 20 0 BAADRO C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)CC[NH2+]1 ZINC000653050706 411405330 /nfs/dbraw/zinc/40/53/30/411405330.db2.gz OLAMDRIAJMBLIP-HTQZYQBOSA-N 1 0 247.320 -1.502 20 0 BAADRO C[C@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)CC[NH2+]1 ZINC000653050707 411404764 /nfs/dbraw/zinc/40/47/64/411404764.db2.gz OLAMDRIAJMBLIP-JGVFFNPUSA-N 1 0 247.320 -1.502 20 0 BAADRO C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC[NH2+]1 ZINC000653050708 411405046 /nfs/dbraw/zinc/40/50/46/411405046.db2.gz OLAMDRIAJMBLIP-SFYZADRCSA-N 1 0 247.320 -1.502 20 0 BAADRO C[C@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC[NH2+]1 ZINC000653050709 411405183 /nfs/dbraw/zinc/40/51/83/411405183.db2.gz OLAMDRIAJMBLIP-YUMQZZPRSA-N 1 0 247.320 -1.502 20 0 BAADRO CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000653052226 411406293 /nfs/dbraw/zinc/40/62/93/411406293.db2.gz YDBCDMDAVOGXBD-HTQZYQBOSA-N 1 0 249.336 -1.222 20 0 BAADRO CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000653052227 411405855 /nfs/dbraw/zinc/40/58/55/411405855.db2.gz YDBCDMDAVOGXBD-JGVFFNPUSA-N 1 0 249.336 -1.222 20 0 BAADRO CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000653052228 411406076 /nfs/dbraw/zinc/40/60/76/411406076.db2.gz YDBCDMDAVOGXBD-SFYZADRCSA-N 1 0 249.336 -1.222 20 0 BAADRO CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000653052229 411406160 /nfs/dbraw/zinc/40/61/60/411406160.db2.gz YDBCDMDAVOGXBD-YUMQZZPRSA-N 1 0 249.336 -1.222 20 0 BAADRO COCCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653055400 411407093 /nfs/dbraw/zinc/40/70/93/411407093.db2.gz CFMNOJSIVWPLDW-WPRPVWTQSA-N 1 0 214.265 -1.015 20 0 BAADRO O=C(Nc1nn[nH]n1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653057909 411409366 /nfs/dbraw/zinc/40/93/66/411409366.db2.gz VVWTTWHMXFBHSA-XNCJUZBTSA-N 1 0 224.224 -1.626 20 0 BAADRO O=C(N1CCNC(=O)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653058480 411409126 /nfs/dbraw/zinc/40/91/26/411409126.db2.gz VTVWJPFNRCYEMT-KWQFWETISA-N 1 0 239.275 -1.819 20 0 BAADRO CC(=O)NCCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653058864 411409597 /nfs/dbraw/zinc/40/95/97/411409597.db2.gz JYXCRGYNZMHLDK-ONGXEEELSA-N 1 0 241.291 -1.525 20 0 BAADRO CCNC(=O)CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653060561 411409061 /nfs/dbraw/zinc/40/90/61/411409061.db2.gz HWFHGAYAJCLCSL-KWQFWETISA-N 1 0 241.291 -1.525 20 0 BAADRO CN(C)C(=O)CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653060581 411409316 /nfs/dbraw/zinc/40/93/16/411409316.db2.gz INFNPYAMRURMKD-KWQFWETISA-N 1 0 241.291 -1.573 20 0 BAADRO CNC(=O)CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653060605 411409609 /nfs/dbraw/zinc/40/96/09/411409609.db2.gz JSDHRXQWSNBPDE-XVKPBYJWSA-N 1 0 227.264 -1.915 20 0 BAADRO C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1COC2)C(N)=O ZINC000653062921 487946053 /nfs/dbraw/zinc/94/60/53/487946053.db2.gz ORLJIRQPDSXKBC-BYULHYEWSA-N 1 0 227.264 -1.788 20 0 BAADRO NC(=O)CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653065097 411410485 /nfs/dbraw/zinc/41/04/85/411410485.db2.gz SWHIJTHYAJYIHT-XVKPBYJWSA-N 1 0 227.264 -1.786 20 0 BAADRO NC(=O)CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653071153 411412426 /nfs/dbraw/zinc/41/24/26/411412426.db2.gz XPUWQTIBOLEART-RCOVLWMOSA-N 1 0 213.237 -2.176 20 0 BAADRO CNC(=O)CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653072024 411412239 /nfs/dbraw/zinc/41/22/39/411412239.db2.gz BIQIJLHPHIBQRH-KWQFWETISA-N 1 0 241.291 -1.525 20 0 BAADRO NC(=O)CCCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653073176 411413234 /nfs/dbraw/zinc/41/32/34/411413234.db2.gz TWSQBDPXMSOYOG-KWQFWETISA-N 1 0 241.291 -1.396 20 0 BAADRO CNC(=O)[C@@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653074892 487523530 /nfs/dbraw/zinc/52/35/30/487523530.db2.gz ZMZLFMVWHSUHIY-FYBVGQRMSA-N 1 0 241.291 -1.527 20 0 BAADRO CNC(=O)[C@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653074893 487523894 /nfs/dbraw/zinc/52/38/94/487523894.db2.gz ZMZLFMVWHSUHIY-LAEOZQHASA-N 1 0 241.291 -1.527 20 0 BAADRO O=C(NCc1cn[nH]n1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653080536 409596883 /nfs/dbraw/zinc/59/68/83/409596883.db2.gz KSEYQEBAMSMJAG-XVKPBYJWSA-N 1 0 237.263 -1.343 20 0 BAADRO C[C@@H]1C(=O)NCCN1C(=O)[C@@H](N)CC[NH+](C)C ZINC000653082565 409603322 /nfs/dbraw/zinc/60/33/22/409603322.db2.gz ZIOBJAZKFINYHW-BDAKNGLRSA-N 1 0 242.323 -1.388 20 0 BAADRO C[C@H]1C(=O)NCCN1C(=O)[C@H](N)CC[NH+](C)C ZINC000653082566 409602939 /nfs/dbraw/zinc/60/29/39/409602939.db2.gz ZIOBJAZKFINYHW-DTWKUNHWSA-N 1 0 242.323 -1.388 20 0 BAADRO C[C@H]1C(=O)NCCN1C(=O)[C@@H](N)CC[NH+](C)C ZINC000653082567 409604509 /nfs/dbraw/zinc/60/45/09/409604509.db2.gz ZIOBJAZKFINYHW-IUCAKERBSA-N 1 0 242.323 -1.388 20 0 BAADRO C[C@@H]1C(=O)NCCN1C(=O)[C@H](N)CC[NH+](C)C ZINC000653082568 409602275 /nfs/dbraw/zinc/60/22/75/409602275.db2.gz ZIOBJAZKFINYHW-RKDXNWHRSA-N 1 0 242.323 -1.388 20 0 BAADRO CN1CCN(C(=O)[C@H](N)CC[NH+](C)C)CC1=O ZINC000653092021 409676214 /nfs/dbraw/zinc/67/62/14/409676214.db2.gz PKONEWFKAZIZDD-SECBINFHSA-N 1 0 242.323 -1.434 20 0 BAADRO CN1CCN(C(=O)[C@@H](N)CC[NH+](C)C)CC1=O ZINC000653092022 409676848 /nfs/dbraw/zinc/67/68/48/409676848.db2.gz PKONEWFKAZIZDD-VIFPVBQESA-N 1 0 242.323 -1.434 20 0 BAADRO CCC[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000653126791 409836094 /nfs/dbraw/zinc/83/60/94/409836094.db2.gz HYMHVUBBIGHMOJ-MRVPVSSYSA-N 1 0 249.336 -1.206 20 0 BAADRO CCC[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000653126792 409835087 /nfs/dbraw/zinc/83/50/87/409835087.db2.gz HYMHVUBBIGHMOJ-QMMMGPOBSA-N 1 0 249.336 -1.206 20 0 BAADRO CN1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653127344 409838888 /nfs/dbraw/zinc/83/88/88/409838888.db2.gz VRLVMDVTHCZKIV-JQWIXIFHSA-N 1 0 239.319 -1.004 20 0 BAADRO [NH3+]C1(CNC(=O)[C@H]2CCS(=O)(=O)N2)CCC1 ZINC000653129057 409843685 /nfs/dbraw/zinc/84/36/85/409843685.db2.gz NHGYKUBEFDATKF-SSDOTTSWSA-N 1 0 247.320 -1.324 20 0 BAADRO [NH3+]C1(CNC(=O)[C@@H]2CCS(=O)(=O)N2)CCC1 ZINC000653129058 409844899 /nfs/dbraw/zinc/84/48/99/409844899.db2.gz NHGYKUBEFDATKF-ZETCQYMHSA-N 1 0 247.320 -1.324 20 0 BAADRO NCC(F)(F)CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653130984 409845828 /nfs/dbraw/zinc/84/58/28/409845828.db2.gz RCEBNPVKPCOWKI-CBAPKCEASA-N 1 0 249.261 -1.067 20 0 BAADRO CC[NH2+][C@H](C)CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000653136661 409857005 /nfs/dbraw/zinc/85/70/05/409857005.db2.gz ZRDTXOPRXOELCE-HTQZYQBOSA-N 1 0 249.336 -1.208 20 0 BAADRO CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000653136662 409856518 /nfs/dbraw/zinc/85/65/18/409856518.db2.gz ZRDTXOPRXOELCE-SFYZADRCSA-N 1 0 249.336 -1.208 20 0 BAADRO CN(C(=O)[C@H]1CCS(=O)(=O)N1)C1CC([NH3+])C1 ZINC000653145411 409870385 /nfs/dbraw/zinc/87/03/85/409870385.db2.gz UHEGWMBPVFVZGC-KAVNDROISA-N 1 0 247.320 -1.374 20 0 BAADRO CN(C(=O)[C@@H]1CCS(=O)(=O)N1)C1CC([NH3+])C1 ZINC000653145412 409869872 /nfs/dbraw/zinc/86/98/72/409869872.db2.gz UHEGWMBPVFVZGC-RRQHEKLDSA-N 1 0 247.320 -1.374 20 0 BAADRO C[NH2+]CCCN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000653164158 410112904 /nfs/dbraw/zinc/11/29/04/410112904.db2.gz SYOXKOSYULOBDM-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO C[NH2+]CCCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000653164159 410113247 /nfs/dbraw/zinc/11/32/47/410113247.db2.gz SYOXKOSYULOBDM-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO CC(C)(CC[NH3+])NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000653165363 410131228 /nfs/dbraw/zinc/13/12/28/410131228.db2.gz GZQWXSCQIJNWLS-SSDOTTSWSA-N 1 0 249.336 -1.078 20 0 BAADRO CC(C)(CC[NH3+])NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000653165364 410131503 /nfs/dbraw/zinc/13/15/03/410131503.db2.gz GZQWXSCQIJNWLS-ZETCQYMHSA-N 1 0 249.336 -1.078 20 0 BAADRO [NH3+]CC(=O)NCC(=O)N1CCOCC12CCC2 ZINC000653168450 410135665 /nfs/dbraw/zinc/13/56/65/410135665.db2.gz AQTQWLKUUCFGPX-UHFFFAOYSA-N 1 0 241.291 -1.157 20 0 BAADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCCCN1 ZINC000653171794 410138997 /nfs/dbraw/zinc/13/89/97/410138997.db2.gz KAAMFLLDEFIPIF-SECBINFHSA-N 1 0 240.307 -1.018 20 0 BAADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCCCN1 ZINC000653171795 410139252 /nfs/dbraw/zinc/13/92/52/410139252.db2.gz KAAMFLLDEFIPIF-VIFPVBQESA-N 1 0 240.307 -1.018 20 0 BAADRO [NH3+]CC(=O)NCC(=O)N1CCCCN1 ZINC000653171887 410141877 /nfs/dbraw/zinc/14/18/77/410141877.db2.gz NJAPARFPKWRYPB-UHFFFAOYSA-N 1 0 200.242 -1.812 20 0 BAADRO CCO[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C[NH3+] ZINC000653246702 410200151 /nfs/dbraw/zinc/20/01/51/410200151.db2.gz WSIXDMHEHWZFHB-HTQZYQBOSA-N 1 0 229.280 -1.316 20 0 BAADRO CCO[C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1C[NH3+] ZINC000653247616 410202818 /nfs/dbraw/zinc/20/28/18/410202818.db2.gz KDFGVAIDCYUXKT-RKDXNWHRSA-N 1 0 243.307 -1.055 20 0 BAADRO C[C@H](COCC1CC1)NC(=O)CNC(=O)C[NH3+] ZINC000653255395 410234901 /nfs/dbraw/zinc/23/49/01/410234901.db2.gz QPSPKGUFWSLKFV-MRVPVSSYSA-N 1 0 243.307 -1.007 20 0 BAADRO C[C@@H](COCC1CC1)NC(=O)CNC(=O)C[NH3+] ZINC000653255396 410234691 /nfs/dbraw/zinc/23/46/91/410234691.db2.gz QPSPKGUFWSLKFV-QMMMGPOBSA-N 1 0 243.307 -1.007 20 0 BAADRO COCCOCCN1CCN(C(=O)C[NH3+])CC1 ZINC000653275767 410563902 /nfs/dbraw/zinc/56/39/02/410563902.db2.gz NBYIBOOZMWQLTH-UHFFFAOYSA-N 1 0 245.323 -1.248 20 0 BAADRO COCCN1C(=O)C[C@@H]([NH2+]C[C@@H](C)O)C1=O ZINC000653282693 487614510 /nfs/dbraw/zinc/61/45/10/487614510.db2.gz GSGRAHJFALVNLR-HTQZYQBOSA-N 1 0 230.264 -1.269 20 0 BAADRO COCCN1C(=O)C[C@@H]([NH2+]C[C@H](C)O)C1=O ZINC000653282694 487614655 /nfs/dbraw/zinc/61/46/55/487614655.db2.gz GSGRAHJFALVNLR-JGVFFNPUSA-N 1 0 230.264 -1.269 20 0 BAADRO COCCN1C(=O)C[C@H]([NH2+]C[C@@H](C)O)C1=O ZINC000653282695 487614462 /nfs/dbraw/zinc/61/44/62/487614462.db2.gz GSGRAHJFALVNLR-SFYZADRCSA-N 1 0 230.264 -1.269 20 0 BAADRO COCCN1C(=O)C[C@H]([NH2+]C[C@H](C)O)C1=O ZINC000653282696 487614484 /nfs/dbraw/zinc/61/44/84/487614484.db2.gz GSGRAHJFALVNLR-YUMQZZPRSA-N 1 0 230.264 -1.269 20 0 BAADRO COCCN1C(=O)C[C@@H]([NH2+][C@H](C)CO)C1=O ZINC000653285246 410644926 /nfs/dbraw/zinc/64/49/26/410644926.db2.gz IYUWRCHEUFTLIK-HTQZYQBOSA-N 1 0 230.264 -1.269 20 0 BAADRO COCCN1C(=O)C[C@@H]([NH2+][C@@H](C)CO)C1=O ZINC000653285247 410644473 /nfs/dbraw/zinc/64/44/73/410644473.db2.gz IYUWRCHEUFTLIK-JGVFFNPUSA-N 1 0 230.264 -1.269 20 0 BAADRO COCCN1C(=O)C[C@H]([NH2+][C@H](C)CO)C1=O ZINC000653285248 410644632 /nfs/dbraw/zinc/64/46/32/410644632.db2.gz IYUWRCHEUFTLIK-SFYZADRCSA-N 1 0 230.264 -1.269 20 0 BAADRO COCCN1C(=O)C[C@H]([NH2+][C@@H](C)CO)C1=O ZINC000653285249 410645196 /nfs/dbraw/zinc/64/51/96/410645196.db2.gz IYUWRCHEUFTLIK-YUMQZZPRSA-N 1 0 230.264 -1.269 20 0 BAADRO O=C(Nc1nc[nH]n1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653346443 411401043 /nfs/dbraw/zinc/40/10/43/411401043.db2.gz VBTRQTUHWPLKGH-RCOVLWMOSA-N 1 0 223.236 -1.021 20 0 BAADRO Cn1[nH]cnc1=NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653346941 487555311 /nfs/dbraw/zinc/55/53/11/487555311.db2.gz NBSHIUAITGFIAA-XVKPBYJWSA-N 1 0 237.263 -1.589 20 0 BAADRO O=C(NC1=NCC(=O)N1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653348442 411417178 /nfs/dbraw/zinc/41/71/78/411417178.db2.gz HTQFRKGNDYGKNJ-WKEGUHRASA-N 1 0 238.247 -2.176 20 0 BAADRO CC[N@H+](C)C[C@@H](O)CN(C)CC(N)=O ZINC000653493955 411387910 /nfs/dbraw/zinc/38/79/10/411387910.db2.gz LMRJJYNKTXRBAM-MRVPVSSYSA-N 1 0 203.286 -1.284 20 0 BAADRO CC[N@H+](C)C[C@H](O)CN(C)CC(N)=O ZINC000653493956 411388002 /nfs/dbraw/zinc/38/80/02/411388002.db2.gz LMRJJYNKTXRBAM-QMMMGPOBSA-N 1 0 203.286 -1.284 20 0 BAADRO CNC(=O)CCC[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000653562669 411422035 /nfs/dbraw/zinc/42/20/35/411422035.db2.gz DUNNMZREIOQWLO-DTORHVGOSA-N 1 0 216.281 -1.060 20 0 BAADRO CC[N@H+](C)C[C@@H](O)CN1C[C@H](O)C[C@H]1CO ZINC000653619212 411440490 /nfs/dbraw/zinc/44/04/90/411440490.db2.gz RCMHMRIHNXECMF-HBNTYKKESA-N 1 0 232.324 -1.274 20 0 BAADRO C[NH+](C)[C@H]1CN(C[C@@H]2CCC(=O)N2)C[C@@H]1O ZINC000653684890 411178647 /nfs/dbraw/zinc/17/86/47/411178647.db2.gz GNXMERIVKKEOOZ-GUBZILKMSA-N 1 0 227.308 -1.128 20 0 BAADRO C[NH+](C)[C@H]1CN(CCN2CCNC2=O)C[C@@H]1O ZINC000653685615 411178052 /nfs/dbraw/zinc/17/80/52/411178052.db2.gz YZSNUPYLUDPLLW-UWVGGRQHSA-N 1 0 242.323 -1.382 20 0 BAADRO CN(CC(F)(F)F)C(=O)C[NH2+]C(CO)CO ZINC000653733546 411276717 /nfs/dbraw/zinc/27/67/17/411276717.db2.gz XWZBMOZGNIHQCP-UHFFFAOYSA-N 1 0 244.213 -1.050 20 0 BAADRO C[C@@H](C(N)=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653824876 411194709 /nfs/dbraw/zinc/19/47/09/411194709.db2.gz KIERJDAGAQLBFF-XHNCKOQMSA-N 1 0 213.281 -1.389 20 0 BAADRO CN1CC[C@@H](N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1=O ZINC000653826487 487593358 /nfs/dbraw/zinc/59/33/58/487593358.db2.gz DTUMPVJVCTVOKR-HBNTYKKESA-N 1 0 239.319 -1.032 20 0 BAADRO COC[C@@H](O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653827068 487594696 /nfs/dbraw/zinc/59/46/96/487594696.db2.gz SDIMAJDNCSNOBI-AXFHLTTASA-N 1 0 230.308 -1.256 20 0 BAADRO Cc1nn(CC(=O)NCC[NH+](C)C)c(=O)n1C ZINC000654371855 411380409 /nfs/dbraw/zinc/38/04/09/411380409.db2.gz XIMRGWFYJQLFFR-UHFFFAOYSA-N 1 0 241.295 -1.432 20 0 BAADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(CO)CO)C1 ZINC000654659453 411424064 /nfs/dbraw/zinc/42/40/64/411424064.db2.gz HTSXERUHPBXXEJ-WAAGHKOSSA-N 1 0 245.323 -1.021 20 0 BAADRO C[C@@H]1CC[N@H+](CC(=O)NC(CO)CO)C1 ZINC000654976629 411469201 /nfs/dbraw/zinc/46/92/01/411469201.db2.gz SWDPVXWBOVZCTQ-MRVPVSSYSA-N 1 0 216.281 -1.202 20 0 BAADRO C[C@H]1CC[N@H+](CC(=O)NC(CO)CO)C1 ZINC000654976630 411469493 /nfs/dbraw/zinc/46/94/93/411469493.db2.gz SWDPVXWBOVZCTQ-QMMMGPOBSA-N 1 0 216.281 -1.202 20 0 BAADRO CN1C(=O)C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC000655061056 411487796 /nfs/dbraw/zinc/48/77/96/411487796.db2.gz KONKPWJTQQJOLR-HTQZYQBOSA-N 1 0 239.275 -1.188 20 0 BAADRO CN1C(=O)C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC000655061057 411487556 /nfs/dbraw/zinc/48/75/56/411487556.db2.gz KONKPWJTQQJOLR-JGVFFNPUSA-N 1 0 239.275 -1.188 20 0 BAADRO CN1C(=O)C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC000655061058 411487731 /nfs/dbraw/zinc/48/77/31/411487731.db2.gz KONKPWJTQQJOLR-SFYZADRCSA-N 1 0 239.275 -1.188 20 0 BAADRO CN1C(=O)C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC000655061059 411487627 /nfs/dbraw/zinc/48/76/27/411487627.db2.gz KONKPWJTQQJOLR-YUMQZZPRSA-N 1 0 239.275 -1.188 20 0 BAADRO C[C@@H](C(=O)N[C@H]1CC(=O)N(C)C1=O)[NH+](C)C ZINC000655061136 411488009 /nfs/dbraw/zinc/48/80/09/411488009.db2.gz UCRBUKZUKNJEBU-BQBZGAKWSA-N 1 0 227.264 -1.190 20 0 BAADRO C[C@@H](C(=O)N[C@@H]1CC(=O)N(C)C1=O)[NH+](C)C ZINC000655061137 411487560 /nfs/dbraw/zinc/48/75/60/411487560.db2.gz UCRBUKZUKNJEBU-NKWVEPMBSA-N 1 0 227.264 -1.190 20 0 BAADRO C[C@H](O)C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000655073757 411490148 /nfs/dbraw/zinc/49/01/48/411490148.db2.gz PSHUEFRSNSNIHP-GZMMTYOYSA-N 1 0 228.292 -1.060 20 0 BAADRO C[C@H](O)C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000655073758 411489761 /nfs/dbraw/zinc/48/97/61/411489761.db2.gz PSHUEFRSNSNIHP-KWQFWETISA-N 1 0 228.292 -1.060 20 0 BAADRO C[NH+](C)[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1O ZINC000655093349 411494939 /nfs/dbraw/zinc/49/49/39/411494939.db2.gz OCHKZBYHQZYFRV-IUCAKERBSA-N 1 0 239.279 -1.589 20 0 BAADRO C[NH+](C)[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1O ZINC000655094713 411494506 /nfs/dbraw/zinc/49/45/06/411494506.db2.gz UATWACSNSDLYIH-YUMQZZPRSA-N 1 0 241.291 -1.615 20 0 BAADRO C[C@@H](CC(N)=O)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000655096063 411494383 /nfs/dbraw/zinc/49/43/83/411494383.db2.gz ICFDTXXEWNACHU-CIUDSAMLSA-N 1 0 243.307 -1.369 20 0 BAADRO C[C@H](CC(N)=O)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000655096064 411493965 /nfs/dbraw/zinc/49/39/65/411493965.db2.gz ICFDTXXEWNACHU-VGMNWLOBSA-N 1 0 243.307 -1.369 20 0 BAADRO C[NH+](C)[C@H]1CN(C(=O)[C@@]2(O)CCOC2)C[C@@H]1O ZINC000655096315 411495252 /nfs/dbraw/zinc/49/52/52/411495252.db2.gz ZDOQZTSXXCTTJS-ATZCPNFKSA-N 1 0 244.291 -1.729 20 0 BAADRO C[NH+](C)[C@H]1CN(C(=O)[C@]2(O)CCOC2)C[C@@H]1O ZINC000655096316 411495468 /nfs/dbraw/zinc/49/54/68/411495468.db2.gz ZDOQZTSXXCTTJS-QXEWZRGKSA-N 1 0 244.291 -1.729 20 0 BAADRO O=C(CO)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655295696 409833666 /nfs/dbraw/zinc/83/36/66/409833666.db2.gz GZMFGDUCBYDGFQ-JGVFFNPUSA-N 1 0 200.238 -1.744 20 0 BAADRO C[C@@H](O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655295885 409832879 /nfs/dbraw/zinc/83/28/79/409832879.db2.gz PAYXDNQCTKSVBM-HRDYMLBCSA-N 1 0 214.265 -1.355 20 0 BAADRO C[C@H](O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655295886 409833998 /nfs/dbraw/zinc/83/39/98/409833998.db2.gz PAYXDNQCTKSVBM-XHNCKOQMSA-N 1 0 214.265 -1.355 20 0 BAADRO Cc1nn(CC(=O)NCCC[NH3+])c(=O)n1C ZINC000655411329 410213904 /nfs/dbraw/zinc/21/39/04/410213904.db2.gz AIWVKBBXRDWFCD-UHFFFAOYSA-N 1 0 227.268 -1.645 20 0 BAADRO Cc1nn(CC(=O)N2CC[NH2+]CC2)c(=O)n1C ZINC000655411830 410215592 /nfs/dbraw/zinc/21/55/92/410215592.db2.gz XTBOSAHNIQPZML-UHFFFAOYSA-N 1 0 239.279 -1.678 20 0 BAADRO Cc1nn(CC(=O)N2CC[C@@H]([NH3+])C2)c(=O)n1C ZINC000655412583 410215974 /nfs/dbraw/zinc/21/59/74/410215974.db2.gz VPEHCENBFGLVIX-MRVPVSSYSA-N 1 0 239.279 -1.550 20 0 BAADRO Cc1nn(CC(=O)N[C@H]2CC[NH2+]C2)c(=O)n1C ZINC000655412878 410216585 /nfs/dbraw/zinc/21/65/85/410216585.db2.gz AQUWGBJYNSWFET-QMMMGPOBSA-N 1 0 239.279 -1.632 20 0 BAADRO C[NH2+]CCCNC(=O)Cn1nc(C)n(C)c1=O ZINC000655413386 410216806 /nfs/dbraw/zinc/21/68/06/410216806.db2.gz XAJLNOXWOMPVHF-UHFFFAOYSA-N 1 0 241.295 -1.384 20 0 BAADRO Cc1nn(CC(=O)NC(C)(C)C[NH3+])c(=O)n1C ZINC000655414570 410219419 /nfs/dbraw/zinc/21/94/19/410219419.db2.gz QCRJKTSJZBWFFI-UHFFFAOYSA-N 1 0 241.295 -1.256 20 0 BAADRO C[NH2+]CCNC(=O)Cn1nc(C)n(C)c1=O ZINC000655415342 410222646 /nfs/dbraw/zinc/22/26/46/410222646.db2.gz BQDMHUVJDXBWNH-UHFFFAOYSA-N 1 0 227.268 -1.774 20 0 BAADRO Cc1nn(CC(=O)N(C)[C@H](C)C[NH3+])c(=O)n1C ZINC000655416149 410220691 /nfs/dbraw/zinc/22/06/91/410220691.db2.gz XTQDAPFVRKSGBN-SSDOTTSWSA-N 1 0 241.295 -1.304 20 0 BAADRO Cc1nn(CC(=O)N(C)[C@@H](C)C[NH3+])c(=O)n1C ZINC000655416150 410222354 /nfs/dbraw/zinc/22/23/54/410222354.db2.gz XTQDAPFVRKSGBN-ZETCQYMHSA-N 1 0 241.295 -1.304 20 0 BAADRO Cc1nn(CC(=O)N2CC[C@H]([NH3+])C2)c(=O)n1C ZINC000655416474 410221602 /nfs/dbraw/zinc/22/16/02/410221602.db2.gz VPEHCENBFGLVIX-QMMMGPOBSA-N 1 0 239.279 -1.550 20 0 BAADRO CC[NH2+]CCNC(=O)Cn1nc(C)n(C)c1=O ZINC000655416635 410221373 /nfs/dbraw/zinc/22/13/73/410221373.db2.gz ZKPMZSIYBARASK-UHFFFAOYSA-N 1 0 241.295 -1.384 20 0 BAADRO Cc1nn(CC(=O)NCC(C)(C)[NH3+])c(=O)n1C ZINC000655417688 410225413 /nfs/dbraw/zinc/22/54/13/410225413.db2.gz QTBCRANTFIJQBJ-UHFFFAOYSA-N 1 0 241.295 -1.256 20 0 BAADRO Cc1nn(CC(=O)N(C)CCC[NH3+])c(=O)n1C ZINC000655418489 410224326 /nfs/dbraw/zinc/22/43/26/410224326.db2.gz VKIALKXVVHGYQF-UHFFFAOYSA-N 1 0 241.295 -1.303 20 0 BAADRO Cc1nn(CC(=O)NC[C@H](C)C[NH3+])c(=O)n1C ZINC000655450582 488041666 /nfs/dbraw/zinc/04/16/66/488041666.db2.gz SUECVSPQMSOGJL-SSDOTTSWSA-N 1 0 241.295 -1.399 20 0 BAADRO Cc1nn(CC(=O)NC[C@@H](C)C[NH3+])c(=O)n1C ZINC000655450583 488041479 /nfs/dbraw/zinc/04/14/79/488041479.db2.gz SUECVSPQMSOGJL-ZETCQYMHSA-N 1 0 241.295 -1.399 20 0 BAADRO Cc1nn(CC(=O)N[C@H](C)CC[NH3+])c(=O)n1C ZINC000655452685 490483273 /nfs/dbraw/zinc/48/32/73/490483273.db2.gz ZTKQYUMPSXTSNW-SSDOTTSWSA-N 1 0 241.295 -1.256 20 0 BAADRO Cc1nn(CC(=O)N[C@@H](C)CC[NH3+])c(=O)n1C ZINC000655452686 490482822 /nfs/dbraw/zinc/48/28/22/490482822.db2.gz ZTKQYUMPSXTSNW-ZETCQYMHSA-N 1 0 241.295 -1.256 20 0 BAADRO Cc1nn(CC(=O)N[C@H](C)C[NH3+])c(=O)n1C ZINC000655454089 410323203 /nfs/dbraw/zinc/32/32/03/410323203.db2.gz WXNIYXRGDUANHO-ZCFIWIBFSA-N 1 0 227.268 -1.646 20 0 BAADRO Cc1nn(CC(=O)NC[C@H](C)[NH3+])c(=O)n1C ZINC000655458288 487472220 /nfs/dbraw/zinc/47/22/20/487472220.db2.gz NARZVZITNWIIDM-LURJTMIESA-N 1 0 227.268 -1.646 20 0 BAADRO Cc1nn(CC(=O)NC[C@@H](C)[NH3+])c(=O)n1C ZINC000655458289 487472213 /nfs/dbraw/zinc/47/22/13/487472213.db2.gz NARZVZITNWIIDM-ZCFIWIBFSA-N 1 0 227.268 -1.646 20 0 BAADRO Cc1nn(CC(=O)N[C@@H](C)[C@H](C)[NH3+])c(=O)n1C ZINC000655465324 410665079 /nfs/dbraw/zinc/66/50/79/410665079.db2.gz FDIOKTGYKGSGOG-BQBZGAKWSA-N 1 0 241.295 -1.258 20 0 BAADRO Cc1nn(CC(=O)N[C@H](C)[C@H](C)[NH3+])c(=O)n1C ZINC000655465325 410664599 /nfs/dbraw/zinc/66/45/99/410664599.db2.gz FDIOKTGYKGSGOG-NKWVEPMBSA-N 1 0 241.295 -1.258 20 0 BAADRO Cc1nn(CC(=O)N[C@H](C)[C@@H](C)[NH3+])c(=O)n1C ZINC000655465328 410665110 /nfs/dbraw/zinc/66/51/10/410665110.db2.gz FDIOKTGYKGSGOG-RNFRBKRXSA-N 1 0 241.295 -1.258 20 0 BAADRO Cc1nn(CC(=O)N[C@@H](C)[C@@H](C)[NH3+])c(=O)n1C ZINC000655465332 410664993 /nfs/dbraw/zinc/66/49/93/410664993.db2.gz FDIOKTGYKGSGOG-RQJHMYQMSA-N 1 0 241.295 -1.258 20 0 BAADRO CC[C@@H]([NH3+])CNC(=O)Cn1nc(C)n(C)c1=O ZINC000655466819 410668197 /nfs/dbraw/zinc/66/81/97/410668197.db2.gz WSSCBNZBCYFOFV-MRVPVSSYSA-N 1 0 241.295 -1.256 20 0 BAADRO CC[C@H]([NH3+])CNC(=O)Cn1nc(C)n(C)c1=O ZINC000655466820 410668135 /nfs/dbraw/zinc/66/81/35/410668135.db2.gz WSSCBNZBCYFOFV-QMMMGPOBSA-N 1 0 241.295 -1.256 20 0 BAADRO Cc1nn(CC(=O)N(C)CC[NH3+])c(=O)n1C ZINC000655478850 410713055 /nfs/dbraw/zinc/71/30/55/410713055.db2.gz AVMXIWFGDTVHQA-UHFFFAOYSA-N 1 0 227.268 -1.693 20 0 BAADRO CC1(C)C[NH2+][C@H]1C(=O)N[C@@]1(C(N)=O)CCOC1 ZINC000655503511 411112989 /nfs/dbraw/zinc/11/29/89/411112989.db2.gz SWNGTZHOVBCIDF-CPCISQLKSA-N 1 0 241.291 -1.255 20 0 BAADRO CC1(C)C[NH2+][C@@H]1C(=O)N[C@@]1(C(N)=O)CCOC1 ZINC000655503515 411113253 /nfs/dbraw/zinc/11/32/53/411113253.db2.gz SWNGTZHOVBCIDF-HQJQHLMTSA-N 1 0 241.291 -1.255 20 0 BAADRO CC1(C)C[NH2+][C@@H]1C(=O)N[C@]1(C(N)=O)CCOC1 ZINC000655503517 411113270 /nfs/dbraw/zinc/11/32/70/411113270.db2.gz SWNGTZHOVBCIDF-RDDDGLTNSA-N 1 0 241.291 -1.255 20 0 BAADRO CC1(C)C[NH2+][C@H]1C(=O)N[C@]1(C(N)=O)CCOC1 ZINC000655503520 411113238 /nfs/dbraw/zinc/11/32/38/411113238.db2.gz SWNGTZHOVBCIDF-WRWORJQWSA-N 1 0 241.291 -1.255 20 0 BAADRO CNC(=O)CNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655913930 411158189 /nfs/dbraw/zinc/15/81/89/411158189.db2.gz WNVOVRDNCSVXIM-BYPYZUCNSA-N 1 0 242.201 -1.079 20 0 BAADRO CNC(=O)CNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655913934 411157979 /nfs/dbraw/zinc/15/79/79/411157979.db2.gz WNVOVRDNCSVXIM-SCSAIBSYSA-N 1 0 242.201 -1.079 20 0 BAADRO [NH3+]C[C@@H](NC(=O)NC(CO)CO)C(F)(F)F ZINC000655918099 411158132 /nfs/dbraw/zinc/15/81/32/411158132.db2.gz FBYYPNQADSXVFY-RXMQYKEDSA-N 1 0 245.201 -1.472 20 0 BAADRO [NH3+]C[C@H](NC(=O)NC(CO)CO)C(F)(F)F ZINC000655918100 411158385 /nfs/dbraw/zinc/15/83/85/411158385.db2.gz FBYYPNQADSXVFY-YFKPBYRVSA-N 1 0 245.201 -1.472 20 0 BAADRO [NH3+]C[C@@H](NC(=O)NC[C@H](O)CO)C(F)(F)F ZINC000655923067 488021071 /nfs/dbraw/zinc/02/10/71/488021071.db2.gz ZNUZZIIHWRAQJI-CRCLSJGQSA-N 1 0 245.201 -1.472 20 0 BAADRO [NH3+]C[C@@H](NC(=O)NC[C@@H](O)CO)C(F)(F)F ZINC000655923068 488021665 /nfs/dbraw/zinc/02/16/65/488021665.db2.gz ZNUZZIIHWRAQJI-RFZPGFLSSA-N 1 0 245.201 -1.472 20 0 BAADRO [NH3+]C[C@H](NC(=O)NC[C@@H](O)CO)C(F)(F)F ZINC000655923069 488021884 /nfs/dbraw/zinc/02/18/84/488021884.db2.gz ZNUZZIIHWRAQJI-UHNVWZDZSA-N 1 0 245.201 -1.472 20 0 BAADRO [NH3+]C[C@H](NC(=O)NC[C@H](O)CO)C(F)(F)F ZINC000655923070 488021099 /nfs/dbraw/zinc/02/10/99/488021099.db2.gz ZNUZZIIHWRAQJI-WHFBIAKZSA-N 1 0 245.201 -1.472 20 0 BAADRO Cn1cnnc1N1CCN(CC[NH3+])CC1 ZINC000655946360 411161405 /nfs/dbraw/zinc/16/14/05/411161405.db2.gz KWSSJUNTZRNOAF-UHFFFAOYSA-N 1 0 210.285 -1.104 20 0 BAADRO C[C@H](C[NH3+])NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655966378 411165033 /nfs/dbraw/zinc/16/50/33/411165033.db2.gz VJNQOLLIROULGU-KXUCPTDWSA-N 1 0 242.323 -1.206 20 0 BAADRO COCC1(CNC(=O)C(=O)NCC[NH3+])CC1 ZINC000656017695 488031373 /nfs/dbraw/zinc/03/13/73/488031373.db2.gz DHRRJFZKEHKVEH-UHFFFAOYSA-N 1 0 229.280 -1.396 20 0 BAADRO COCC1(CNC(=O)C(=O)NCCC[NH3+])CC1 ZINC000656019194 488030559 /nfs/dbraw/zinc/03/05/59/488030559.db2.gz BZIYXBGGOAISRE-UHFFFAOYSA-N 1 0 243.307 -1.006 20 0 BAADRO C[NH2+]CCNC(=O)C(=O)NCC1(COC)CC1 ZINC000656021974 488031655 /nfs/dbraw/zinc/03/16/55/488031655.db2.gz QIYOVDBCMUUTFG-UHFFFAOYSA-N 1 0 243.307 -1.135 20 0 BAADRO COCC1(CNC(=O)C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000656021978 488031457 /nfs/dbraw/zinc/03/14/57/488031457.db2.gz QSLBRZGNEBCPPT-MRVPVSSYSA-N 1 0 243.307 -1.007 20 0 BAADRO COCC1(CNC(=O)C(=O)NC[C@H](C)[NH3+])CC1 ZINC000656021979 488031570 /nfs/dbraw/zinc/03/15/70/488031570.db2.gz QSLBRZGNEBCPPT-QMMMGPOBSA-N 1 0 243.307 -1.007 20 0 BAADRO COCC1(CNC(=O)C(=O)N[C@H](C)C[NH3+])CC1 ZINC000656022932 411168763 /nfs/dbraw/zinc/16/87/63/411168763.db2.gz OTWIBCWZKNXRGI-MRVPVSSYSA-N 1 0 243.307 -1.007 20 0 BAADRO COCC1(CNC(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000656023203 411168834 /nfs/dbraw/zinc/16/88/34/411168834.db2.gz YFWZWTANJJVKMN-UHFFFAOYSA-N 1 0 241.291 -1.383 20 0 BAADRO COCC1(CNC(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000656030557 411169234 /nfs/dbraw/zinc/16/92/34/411169234.db2.gz VTDJHBDYKYHVNP-UHFFFAOYSA-N 1 0 243.307 -1.054 20 0 BAADRO Cn1nncc1-n1cc(CN2CC[NH2+]CC2)nn1 ZINC000656462626 411270909 /nfs/dbraw/zinc/27/09/09/411270909.db2.gz HLGFFBLBBKYMOB-UHFFFAOYSA-N 1 0 248.294 -1.199 20 0 BAADRO O=c1n(C[C@H]2C[NH2+]CCO2)nnn1C1CC1 ZINC000656612255 411309644 /nfs/dbraw/zinc/30/96/44/411309644.db2.gz UCCYNNICARRMCD-MRVPVSSYSA-N 1 0 225.252 -1.237 20 0 BAADRO O=c1n(C[C@@H]2C[NH2+]CCO2)nnn1C1CC1 ZINC000656612256 411309738 /nfs/dbraw/zinc/30/97/38/411309738.db2.gz UCCYNNICARRMCD-QMMMGPOBSA-N 1 0 225.252 -1.237 20 0 BAADRO CN(CCC[NH+](C)C)CCNS(N)(=O)=O ZINC000657092212 411403153 /nfs/dbraw/zinc/40/31/53/411403153.db2.gz IHNIXNPNBJZYCN-UHFFFAOYSA-N 1 0 238.357 -1.337 20 0 BAADRO Cc1nn(CC(=O)N2CCN(C)CC2)c(=O)o1 ZINC000657277794 411448831 /nfs/dbraw/zinc/44/88/31/411448831.db2.gz PMNJLZOHHKOJDG-UHFFFAOYSA-N 1 0 240.263 -1.081 20 0 BAADRO COC1CCN(S(=O)(=O)NC2C[NH2+]C2)CC1 ZINC000658366357 487883154 /nfs/dbraw/zinc/88/31/54/487883154.db2.gz NLEOYLJGWIGCKM-UHFFFAOYSA-N 1 0 249.336 -1.097 20 0 BAADRO C[NH2+]C[C@H](C)NS(=O)(=O)c1cnnn1C ZINC000658410844 411378195 /nfs/dbraw/zinc/37/81/95/411378195.db2.gz LDPZBXKWSNCKFU-LURJTMIESA-N 1 0 233.297 -1.299 20 0 BAADRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1cnnn1C ZINC000658410846 411378216 /nfs/dbraw/zinc/37/82/16/411378216.db2.gz LDPZBXKWSNCKFU-ZCFIWIBFSA-N 1 0 233.297 -1.299 20 0 BAADRO CN(CCO)C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658415103 411357728 /nfs/dbraw/zinc/35/77/28/411357728.db2.gz HUUWFLOWMIYQMI-UHFFFAOYSA-N 1 0 243.307 -1.543 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)N=c1nc[nH]n1C ZINC000659005556 411366655 /nfs/dbraw/zinc/36/66/55/411366655.db2.gz ZQEBXIAOEAXJOX-LURJTMIESA-N 1 0 212.257 -1.034 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)N=c1nc[nH]n1C ZINC000659005557 411366369 /nfs/dbraw/zinc/36/63/69/411366369.db2.gz ZQEBXIAOEAXJOX-ZCFIWIBFSA-N 1 0 212.257 -1.034 20 0 BAADRO CCn1ccc(NC(=O)C(=O)NC2C[NH2+]C2)n1 ZINC000659079438 411368619 /nfs/dbraw/zinc/36/86/19/411368619.db2.gz UOFHSWWAMRROAJ-UHFFFAOYSA-N 1 0 237.263 -1.071 20 0 BAADRO CCNC(=O)CNC(=O)[C@@H]([NH3+])COC(C)C ZINC000659272130 411385921 /nfs/dbraw/zinc/38/59/21/411385921.db2.gz GOGXFVMFNHPKBH-QMMMGPOBSA-N 1 0 231.296 -1.009 20 0 BAADRO CN(CCC[NH3+])C(=O)C1(n2cnnn2)CC1 ZINC000659290032 411182993 /nfs/dbraw/zinc/18/29/93/411182993.db2.gz HGWONOZPHCUNNE-UHFFFAOYSA-N 1 0 224.268 -1.031 20 0 BAADRO CN(C(=O)C1(n2cnnn2)CC1)[C@@H]1CC[NH2+]C1 ZINC000659295103 411389622 /nfs/dbraw/zinc/38/96/22/411389622.db2.gz BPMOBXAUBRZTCV-MRVPVSSYSA-N 1 0 236.279 -1.018 20 0 BAADRO CN(C(=O)C1(n2cnnn2)CC1)[C@H]1CC[NH2+]C1 ZINC000659295105 411390238 /nfs/dbraw/zinc/39/02/38/411390238.db2.gz BPMOBXAUBRZTCV-QMMMGPOBSA-N 1 0 236.279 -1.018 20 0 BAADRO C[NH2+][C@@H]1CCN(C(=O)C2(n3cnnn3)CC2)C1 ZINC000659299033 411285743 /nfs/dbraw/zinc/28/57/43/411285743.db2.gz CZPBTMQYEKGOSH-MRVPVSSYSA-N 1 0 236.279 -1.018 20 0 BAADRO C[NH2+][C@H]1CCN(C(=O)C2(n3cnnn3)CC2)C1 ZINC000659299034 411285874 /nfs/dbraw/zinc/28/58/74/411285874.db2.gz CZPBTMQYEKGOSH-QMMMGPOBSA-N 1 0 236.279 -1.018 20 0 BAADRO O=C(N[C@H]1CC[NH2+]C1)C1(n2cnnn2)CC1 ZINC000659302016 411293663 /nfs/dbraw/zinc/29/36/63/411293663.db2.gz BMACWKMZZNXFFT-ZETCQYMHSA-N 1 0 222.252 -1.360 20 0 BAADRO CC1(C)C[NH2+][C@H]1C(=O)N[C@H]1CCNC1=O ZINC000659329588 411359781 /nfs/dbraw/zinc/35/97/81/411359781.db2.gz OTSLLPCBCQCMSM-BQBZGAKWSA-N 1 0 211.265 -1.011 20 0 BAADRO CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1CCNC1=O ZINC000659329598 411359755 /nfs/dbraw/zinc/35/97/55/411359755.db2.gz OTSLLPCBCQCMSM-NKWVEPMBSA-N 1 0 211.265 -1.011 20 0 BAADRO CC1(OCC(=O)N[C@H]2CCNC2=O)C[NH2+]C1 ZINC000659330106 411360258 /nfs/dbraw/zinc/36/02/58/411360258.db2.gz UQRFTVSWUPLOPQ-ZETCQYMHSA-N 1 0 227.264 -1.630 20 0 BAADRO COCC[NH2+]CC(=O)N1CCC(=O)N(C)CC1 ZINC000659372463 411387594 /nfs/dbraw/zinc/38/75/94/411387594.db2.gz CYRVCISWLVFJLK-UHFFFAOYSA-N 1 0 243.307 -1.087 20 0 BAADRO [NH3+][C@@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1F ZINC000659389412 411410420 /nfs/dbraw/zinc/41/04/20/411410420.db2.gz UGYDWWSKLJYZGA-RNFRBKRXSA-N 1 0 228.231 -1.429 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)NCC(=O)N(C)C ZINC000659428445 411414028 /nfs/dbraw/zinc/41/40/28/411414028.db2.gz XAZHBPPKOWYQNV-SSDOTTSWSA-N 1 0 216.285 -1.018 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)NCC(=O)N(C)C ZINC000659428446 411413765 /nfs/dbraw/zinc/41/37/65/411413765.db2.gz XAZHBPPKOWYQNV-ZETCQYMHSA-N 1 0 216.285 -1.018 20 0 BAADRO O=C(NC/C=C/CO)NCCN1CC[NH2+]CC1 ZINC000659506861 411463607 /nfs/dbraw/zinc/46/36/07/411463607.db2.gz CSWXPHSRHTZCLT-OWOJBTEDSA-N 1 0 242.323 -1.261 20 0 BAADRO O=C(NC/C=C\CO)NCCN1CC[NH2+]CC1 ZINC000659506877 411463522 /nfs/dbraw/zinc/46/35/22/411463522.db2.gz CSWXPHSRHTZCLT-UPHRSURJSA-N 1 0 242.323 -1.261 20 0 BAADRO CC[C@@H](O)CNC(=O)NCCN1CC[NH2+]CC1 ZINC000659507694 411464103 /nfs/dbraw/zinc/46/41/03/411464103.db2.gz MZXDXANQXRDLDE-SNVBAGLBSA-N 1 0 244.339 -1.038 20 0 BAADRO CN1CCN(C(=O)NCC[NH3+])CCC1=O ZINC000659508441 411424063 /nfs/dbraw/zinc/42/40/63/411424063.db2.gz VNMPPOGAXLQKIE-UHFFFAOYSA-N 1 0 214.269 -1.181 20 0 BAADRO O=C(NC[C@@H]1CCC(=O)N1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000659546885 411515935 /nfs/dbraw/zinc/51/59/35/411515935.db2.gz IFXVWHJOVIHONE-QHOPCYEYSA-N 1 0 238.291 -1.218 20 0 BAADRO COC[C@@H](CO)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000659567327 411183343 /nfs/dbraw/zinc/18/33/43/411183343.db2.gz VUDJWMNRRVUORD-JGVFFNPUSA-N 1 0 217.269 -1.345 20 0 BAADRO [NH3+]C1(CNC(=O)NC(CO)CO)CCCC1 ZINC000659573653 488006561 /nfs/dbraw/zinc/00/65/61/488006561.db2.gz RNNNXIXCBTVKKU-UHFFFAOYSA-N 1 0 231.296 -1.090 20 0 BAADRO O=C(NCC12CC(C1)C[NH2+]2)N[C@@H]1COC[C@H]1O ZINC000659612979 488209917 /nfs/dbraw/zinc/20/99/17/488209917.db2.gz COJCWQVKWBQEEL-VCZAYRLQSA-N 1 0 241.291 -1.203 20 0 BAADRO O=C(NCC12CC(C1)C[NH2+]2)N1CCNC(=O)C1 ZINC000659616757 411442318 /nfs/dbraw/zinc/44/23/18/411442318.db2.gz JJTWMYRSSRXNSL-UHFFFAOYSA-N 1 0 238.291 -1.120 20 0 BAADRO O=C(NCC12CC(C1)C[NH2+]2)NC(CO)CO ZINC000659619054 411442552 /nfs/dbraw/zinc/44/25/52/411442552.db2.gz UGAKBQYJCCWJQA-UHFFFAOYSA-N 1 0 229.280 -1.609 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)N[C@H](CO)COC ZINC000659633622 411444337 /nfs/dbraw/zinc/44/43/37/411444337.db2.gz DQTAYDJTJFUELQ-HTQZYQBOSA-N 1 0 219.285 -1.099 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)N[C@H](CO)COC ZINC000659633623 411444020 /nfs/dbraw/zinc/44/40/20/411444020.db2.gz DQTAYDJTJFUELQ-JGVFFNPUSA-N 1 0 219.285 -1.099 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)N[C@@H](CO)COC ZINC000659633624 411444590 /nfs/dbraw/zinc/44/45/90/411444590.db2.gz DQTAYDJTJFUELQ-SFYZADRCSA-N 1 0 219.285 -1.099 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)N[C@@H](CO)COC ZINC000659633625 411444030 /nfs/dbraw/zinc/44/40/30/411444030.db2.gz DQTAYDJTJFUELQ-YUMQZZPRSA-N 1 0 219.285 -1.099 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)NC[C@@H](O)COC ZINC000659633917 411444743 /nfs/dbraw/zinc/44/47/43/411444743.db2.gz GCZUDQJAIFLJLB-HTQZYQBOSA-N 1 0 219.285 -1.099 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)NC[C@@H](O)COC ZINC000659633918 411444688 /nfs/dbraw/zinc/44/46/88/411444688.db2.gz GCZUDQJAIFLJLB-JGVFFNPUSA-N 1 0 219.285 -1.099 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1COC[C@H]1O ZINC000659634184 411444662 /nfs/dbraw/zinc/44/46/62/411444662.db2.gz BRUMZBPBHZCCGN-BWZBUEFSSA-N 1 0 217.269 -1.347 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)N[C@@H]1COC[C@H]1O ZINC000659634186 411444783 /nfs/dbraw/zinc/44/47/83/411444783.db2.gz BRUMZBPBHZCCGN-XLPZGREQSA-N 1 0 217.269 -1.347 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)N1CCNC(=O)C1 ZINC000659638350 411445372 /nfs/dbraw/zinc/44/53/72/411445372.db2.gz JVCCAPOBHAGQNF-SSDOTTSWSA-N 1 0 214.269 -1.264 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)N1CCNC(=O)C1 ZINC000659638351 411445110 /nfs/dbraw/zinc/44/51/10/411445110.db2.gz JVCCAPOBHAGQNF-ZETCQYMHSA-N 1 0 214.269 -1.264 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)NC(CO)CO ZINC000659648904 411447609 /nfs/dbraw/zinc/44/76/09/411447609.db2.gz VUBLDFIKSGRMAW-LURJTMIESA-N 1 0 205.258 -1.753 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)NC(CO)CO ZINC000659648905 411447998 /nfs/dbraw/zinc/44/79/98/411447998.db2.gz VUBLDFIKSGRMAW-ZCFIWIBFSA-N 1 0 205.258 -1.753 20 0 BAADRO CCOCCNC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659688123 411447949 /nfs/dbraw/zinc/44/79/49/411447949.db2.gz PTXGLNRMJGFKBX-MRVPVSSYSA-N 1 0 231.296 -1.137 20 0 BAADRO CCOCCNC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659688124 411448134 /nfs/dbraw/zinc/44/81/34/411448134.db2.gz PTXGLNRMJGFKBX-QMMMGPOBSA-N 1 0 231.296 -1.137 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCC(C)(C)O ZINC000659700648 411448709 /nfs/dbraw/zinc/44/87/09/411448709.db2.gz QGPWSZXAYKILRY-MRVPVSSYSA-N 1 0 245.323 -1.012 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCCC(C)(C)O ZINC000659700649 411449213 /nfs/dbraw/zinc/44/92/13/411449213.db2.gz QGPWSZXAYKILRY-QMMMGPOBSA-N 1 0 245.323 -1.012 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H]1CCOC1 ZINC000659700786 411448811 /nfs/dbraw/zinc/44/88/11/411448811.db2.gz VIYQIAVGAWGRTB-HTQZYQBOSA-N 1 0 229.280 -1.384 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CCOC1 ZINC000659700787 411448984 /nfs/dbraw/zinc/44/89/84/411448984.db2.gz VIYQIAVGAWGRTB-JGVFFNPUSA-N 1 0 229.280 -1.384 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H]1CCOC1 ZINC000659700788 411447722 /nfs/dbraw/zinc/44/77/22/411447722.db2.gz VIYQIAVGAWGRTB-SFYZADRCSA-N 1 0 229.280 -1.384 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CCOC1 ZINC000659700789 411448153 /nfs/dbraw/zinc/44/81/53/411448153.db2.gz VIYQIAVGAWGRTB-YUMQZZPRSA-N 1 0 229.280 -1.384 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCCOC ZINC000659705861 411448805 /nfs/dbraw/zinc/44/88/05/411448805.db2.gz AWJDAAWBIDRHCA-MRVPVSSYSA-N 1 0 231.296 -1.137 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCCCOC ZINC000659705862 411448771 /nfs/dbraw/zinc/44/87/71/411448771.db2.gz AWJDAAWBIDRHCA-QMMMGPOBSA-N 1 0 231.296 -1.137 20 0 BAADRO [NH3+]CCNC(=O)C(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000659709453 411449060 /nfs/dbraw/zinc/44/90/60/411449060.db2.gz IRJUJPDBLMEXQN-BDAKNGLRSA-N 1 0 241.291 -1.444 20 0 BAADRO [NH3+]CCNC(=O)C(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000659709454 411448761 /nfs/dbraw/zinc/44/87/61/411448761.db2.gz IRJUJPDBLMEXQN-DTWKUNHWSA-N 1 0 241.291 -1.444 20 0 BAADRO [NH3+]CCNC(=O)C(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000659709455 411448113 /nfs/dbraw/zinc/44/81/13/411448113.db2.gz IRJUJPDBLMEXQN-IUCAKERBSA-N 1 0 241.291 -1.444 20 0 BAADRO [NH3+]CCNC(=O)C(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000659709456 411447593 /nfs/dbraw/zinc/44/75/93/411447593.db2.gz IRJUJPDBLMEXQN-RKDXNWHRSA-N 1 0 241.291 -1.444 20 0 BAADRO CN(CC(C)(C)O)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659731265 411449057 /nfs/dbraw/zinc/44/90/57/411449057.db2.gz BZEDSIIGIQLTGZ-QMMMGPOBSA-N 1 0 243.307 -1.306 20 0 BAADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@@H](O)C1 ZINC000659731291 487961463 /nfs/dbraw/zinc/96/14/63/487961463.db2.gz HNTXVCDAGHGKDK-DTWKUNHWSA-N 1 0 241.291 -1.552 20 0 BAADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CCO1 ZINC000659732227 411449004 /nfs/dbraw/zinc/44/90/04/411449004.db2.gz GSTSRTJSQBMDBJ-BDAKNGLRSA-N 1 0 241.291 -1.288 20 0 BAADRO C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CCO1 ZINC000659732228 411449134 /nfs/dbraw/zinc/44/91/34/411449134.db2.gz GSTSRTJSQBMDBJ-IUCAKERBSA-N 1 0 241.291 -1.288 20 0 BAADRO CCN(CCCO)C(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659749268 411449466 /nfs/dbraw/zinc/44/94/66/411449466.db2.gz GEQUTWKJGLDQBZ-SECBINFHSA-N 1 0 245.323 -1.059 20 0 BAADRO CCN(CCCO)C(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659749270 411449669 /nfs/dbraw/zinc/44/96/69/411449669.db2.gz GEQUTWKJGLDQBZ-VIFPVBQESA-N 1 0 245.323 -1.059 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[C@H](O)C1 ZINC000659749496 411450095 /nfs/dbraw/zinc/45/00/95/411450095.db2.gz IBZAMQPHUBVRBD-BDAKNGLRSA-N 1 0 243.307 -1.306 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@@H](O)C1 ZINC000659749497 411449791 /nfs/dbraw/zinc/44/97/91/411449791.db2.gz IBZAMQPHUBVRBD-DTWKUNHWSA-N 1 0 243.307 -1.306 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@H](O)C1 ZINC000659749498 411450044 /nfs/dbraw/zinc/45/00/44/411450044.db2.gz IBZAMQPHUBVRBD-IUCAKERBSA-N 1 0 243.307 -1.306 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](O)C1 ZINC000659749500 411449754 /nfs/dbraw/zinc/44/97/54/411449754.db2.gz IBZAMQPHUBVRBD-RKDXNWHRSA-N 1 0 243.307 -1.306 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCCOCC1 ZINC000659750211 411180393 /nfs/dbraw/zinc/18/03/93/411180393.db2.gz NFPQULYOAKOZTQ-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCCOCC1 ZINC000659750214 411180372 /nfs/dbraw/zinc/18/03/72/411180372.db2.gz NFPQULYOAKOZTQ-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)CC[C@H](C)O ZINC000659750884 411449987 /nfs/dbraw/zinc/44/99/87/411449987.db2.gz IEAQVPSRNYWPOY-BDAKNGLRSA-N 1 0 245.323 -1.060 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)CC[C@@H](C)O ZINC000659750885 411449839 /nfs/dbraw/zinc/44/98/39/411449839.db2.gz IEAQVPSRNYWPOY-DTWKUNHWSA-N 1 0 245.323 -1.060 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)CC[C@H](C)O ZINC000659750888 411449672 /nfs/dbraw/zinc/44/96/72/411449672.db2.gz IEAQVPSRNYWPOY-IUCAKERBSA-N 1 0 245.323 -1.060 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)CC[C@@H](C)O ZINC000659750890 411449714 /nfs/dbraw/zinc/44/97/14/411449714.db2.gz IEAQVPSRNYWPOY-RKDXNWHRSA-N 1 0 245.323 -1.060 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)CC(C)(C)O ZINC000659751926 411449701 /nfs/dbraw/zinc/44/97/01/411449701.db2.gz XMIGOAFZLXHUDL-MRVPVSSYSA-N 1 0 245.323 -1.060 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)CC(C)(C)O ZINC000659751928 411449806 /nfs/dbraw/zinc/44/98/06/411449806.db2.gz XMIGOAFZLXHUDL-QMMMGPOBSA-N 1 0 245.323 -1.060 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)CCOC ZINC000659752710 411449917 /nfs/dbraw/zinc/44/99/17/411449917.db2.gz MYMBPSPVLYAXQR-MRVPVSSYSA-N 1 0 231.296 -1.185 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)CCOC ZINC000659752711 411450009 /nfs/dbraw/zinc/45/00/09/411450009.db2.gz MYMBPSPVLYAXQR-QMMMGPOBSA-N 1 0 231.296 -1.185 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCO[C@@H](C)C1 ZINC000659753130 411450068 /nfs/dbraw/zinc/45/00/68/411450068.db2.gz OCSFMVTXUILICH-BDAKNGLRSA-N 1 0 243.307 -1.042 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCO[C@H](C)C1 ZINC000659753131 411449837 /nfs/dbraw/zinc/44/98/37/411449837.db2.gz OCSFMVTXUILICH-DTWKUNHWSA-N 1 0 243.307 -1.042 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCO[C@@H](C)C1 ZINC000659753132 411450054 /nfs/dbraw/zinc/45/00/54/411450054.db2.gz OCSFMVTXUILICH-IUCAKERBSA-N 1 0 243.307 -1.042 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCO[C@H](C)C1 ZINC000659753134 411449776 /nfs/dbraw/zinc/44/97/76/411449776.db2.gz OCSFMVTXUILICH-RKDXNWHRSA-N 1 0 243.307 -1.042 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[C@H]1CO ZINC000659753967 411449824 /nfs/dbraw/zinc/44/98/24/411449824.db2.gz RNRMHTKSDKPHJC-BDAKNGLRSA-N 1 0 243.307 -1.306 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@H]1CO ZINC000659753970 411449801 /nfs/dbraw/zinc/44/98/01/411449801.db2.gz RNRMHTKSDKPHJC-IUCAKERBSA-N 1 0 243.307 -1.306 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)[C@H]1CCOC1 ZINC000659754293 411188777 /nfs/dbraw/zinc/18/87/77/411188777.db2.gz DJWHKQWMPNLISU-BDAKNGLRSA-N 1 0 243.307 -1.042 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CCOC1 ZINC000659754294 411189090 /nfs/dbraw/zinc/18/90/90/411189090.db2.gz DJWHKQWMPNLISU-DTWKUNHWSA-N 1 0 243.307 -1.042 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CCOC1 ZINC000659754295 411189019 /nfs/dbraw/zinc/18/90/19/411189019.db2.gz DJWHKQWMPNLISU-IUCAKERBSA-N 1 0 243.307 -1.042 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)[C@@H]1CCOC1 ZINC000659754296 411189170 /nfs/dbraw/zinc/18/91/70/411189170.db2.gz DJWHKQWMPNLISU-RKDXNWHRSA-N 1 0 243.307 -1.042 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCOCC1 ZINC000659756798 411449736 /nfs/dbraw/zinc/44/97/36/411449736.db2.gz SKZQROQVGIORFY-MRVPVSSYSA-N 1 0 229.280 -1.431 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCOCC1 ZINC000659756799 411449959 /nfs/dbraw/zinc/44/99/59/411449959.db2.gz SKZQROQVGIORFY-QMMMGPOBSA-N 1 0 229.280 -1.431 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCNC(=O)C1 ZINC000659758217 411449778 /nfs/dbraw/zinc/44/97/78/411449778.db2.gz ZKZHVHWCZVHEDQ-SSDOTTSWSA-N 1 0 242.279 -2.331 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCNC(=O)C1 ZINC000659758218 411449710 /nfs/dbraw/zinc/44/97/10/411449710.db2.gz ZKZHVHWCZVHEDQ-ZETCQYMHSA-N 1 0 242.279 -2.331 20 0 BAADRO CN1CC(=O)N(CC[N@H+](C)CCO)C1=O ZINC000659834241 411467683 /nfs/dbraw/zinc/46/76/83/411467683.db2.gz MNCDHTDTSSYWPO-UHFFFAOYSA-N 1 0 215.253 -1.196 20 0 BAADRO C[N@H+](CC(N)=O)C[C@]1(O)CCCOC1 ZINC000659839574 411471294 /nfs/dbraw/zinc/47/12/94/411471294.db2.gz QRSFGTXFBMGJJN-SECBINFHSA-N 1 0 202.254 -1.055 20 0 BAADRO C[N@H+](CC(N)=O)C[C@@]1(O)CCCOC1 ZINC000659839576 411470681 /nfs/dbraw/zinc/47/06/81/411470681.db2.gz QRSFGTXFBMGJJN-VIFPVBQESA-N 1 0 202.254 -1.055 20 0 BAADRO COC[C@@H](C[NH+](CCO)CCO)OC ZINC000659879225 411488187 /nfs/dbraw/zinc/48/81/87/411488187.db2.gz SKCYZWDCSHEUBM-SECBINFHSA-N 1 0 207.270 -1.066 20 0 BAADRO COC[C@H](C[NH+](CCO)CCO)OC ZINC000659879226 411488645 /nfs/dbraw/zinc/48/86/45/411488645.db2.gz SKCYZWDCSHEUBM-VIFPVBQESA-N 1 0 207.270 -1.066 20 0 BAADRO O[C@@H]1C[C@H](O)C[N@@H+](CCc2c[nH]nn2)C1 ZINC000659976927 411513708 /nfs/dbraw/zinc/51/37/08/411513708.db2.gz GMGUNMQMBVLFKS-DTORHVGOSA-N 1 0 212.253 -1.225 20 0 BAADRO COC[C@@H](C[N@H+]1C[C@@H](O)[C@@H](O)C1)OC ZINC000659980118 411517036 /nfs/dbraw/zinc/51/70/36/411517036.db2.gz QYMOKXRZNTZRRW-HLTSFMKQSA-N 1 0 205.254 -1.315 20 0 BAADRO COC[C@H](C[N@H+]1C[C@@H](O)[C@@H](O)C1)OC ZINC000659980119 411516600 /nfs/dbraw/zinc/51/66/00/411516600.db2.gz QYMOKXRZNTZRRW-XHNCKOQMSA-N 1 0 205.254 -1.315 20 0 BAADRO NS(=O)(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000660091364 411535919 /nfs/dbraw/zinc/53/59/19/411535919.db2.gz NKRMUNCWUVQOMM-SECBINFHSA-N 1 0 249.336 -1.279 20 0 BAADRO NS(=O)(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000660091366 411536184 /nfs/dbraw/zinc/53/61/84/411536184.db2.gz NKRMUNCWUVQOMM-VIFPVBQESA-N 1 0 249.336 -1.279 20 0 BAADRO CCN1CC[C@H]([N@@H+]2CC[C@](O)(C(N)=O)C2)C1=O ZINC000660388569 411577498 /nfs/dbraw/zinc/57/74/98/411577498.db2.gz WMPOQJVESWBTSV-GZMMTYOYSA-N 1 0 241.291 -1.471 20 0 BAADRO CCN1CC[C@@H]([N@@H+]2CC[C@@](O)(C(N)=O)C2)C1=O ZINC000660388570 411449451 /nfs/dbraw/zinc/44/94/51/411449451.db2.gz WMPOQJVESWBTSV-KCJUWKMLSA-N 1 0 241.291 -1.471 20 0 BAADRO CCN1CC[C@H]([N@@H+]2CC[C@@](O)(C(N)=O)C2)C1=O ZINC000660388707 411449558 /nfs/dbraw/zinc/44/95/58/411449558.db2.gz WMPOQJVESWBTSV-KWQFWETISA-N 1 0 241.291 -1.471 20 0 BAADRO CCN1CC[C@@H]([N@@H+]2CC[C@](O)(C(N)=O)C2)C1=O ZINC000660388709 411449380 /nfs/dbraw/zinc/44/93/80/411449380.db2.gz WMPOQJVESWBTSV-LDYMZIIASA-N 1 0 241.291 -1.471 20 0 BAADRO CCN1OC[C@H](N2CC[C@@H](CO)[C@@H](O)C2)C1=O ZINC000660395260 411459372 /nfs/dbraw/zinc/45/93/72/411459372.db2.gz IKALHDDURMNEQS-GUBZILKMSA-N 1 0 244.291 -1.176 20 0 BAADRO CCN1OC[C@H](N2CC[C@H](CO)[C@H](O)C2)C1=O ZINC000660395267 411459490 /nfs/dbraw/zinc/45/94/90/411459490.db2.gz IKALHDDURMNEQS-KXUCPTDWSA-N 1 0 244.291 -1.176 20 0 BAADRO CCN1OC[C@H](N2CC[C@@H](CO)[C@H](O)C2)C1=O ZINC000660395271 411459311 /nfs/dbraw/zinc/45/93/11/411459311.db2.gz IKALHDDURMNEQS-LPEHRKFASA-N 1 0 244.291 -1.176 20 0 BAADRO CCN1OC[C@H](N2CC[C@H](CO)[C@@H](O)C2)C1=O ZINC000660395273 411459329 /nfs/dbraw/zinc/45/93/29/411459329.db2.gz IKALHDDURMNEQS-UTLUCORTSA-N 1 0 244.291 -1.176 20 0 BAADRO CCN1OC[C@@H](N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1=O ZINC000660590534 411343962 /nfs/dbraw/zinc/34/39/62/411343962.db2.gz OYCSSHCMMOPKLM-AEJSXWLSSA-N 1 0 243.307 -1.245 20 0 BAADRO CCN1OC[C@H](N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1=O ZINC000660590535 411343867 /nfs/dbraw/zinc/34/38/67/411343867.db2.gz OYCSSHCMMOPKLM-GUBZILKMSA-N 1 0 243.307 -1.245 20 0 BAADRO C[N@H+](CCN1C(=O)CNC1=O)C(C)(C)C(N)=O ZINC000660646898 411370492 /nfs/dbraw/zinc/37/04/92/411370492.db2.gz HFIOSJGLGGLTSN-UHFFFAOYSA-N 1 0 242.279 -1.266 20 0 BAADRO CC(C)(C)n1nnc(CC[NH2+]C(CO)CO)n1 ZINC000660696935 411618243 /nfs/dbraw/zinc/61/82/43/411618243.db2.gz YGIPYLGBZOXYDK-UHFFFAOYSA-N 1 0 243.311 -1.087 20 0 BAADRO COC[C@@H](C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)OC ZINC000660723175 409650293 /nfs/dbraw/zinc/65/02/93/409650293.db2.gz UNHQHEPZVFPAME-HLTSFMKQSA-N 1 0 242.275 -1.148 20 0 BAADRO COC[C@H](C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)OC ZINC000660723176 409650791 /nfs/dbraw/zinc/65/07/91/409650791.db2.gz UNHQHEPZVFPAME-XHNCKOQMSA-N 1 0 242.275 -1.148 20 0 BAADRO CCN1CC[C@H]([N@@H+]2C[C@H](O)[C@H](CO)C2)C1=O ZINC000660776066 411625267 /nfs/dbraw/zinc/62/52/67/411625267.db2.gz XHKWHLUQQVPNSQ-GUBZILKMSA-N 1 0 228.292 -1.108 20 0 BAADRO CCN1CC[C@H]([N@H+]2C[C@H](CO)[C@H](O)C2)C1=O ZINC000660776067 411625968 /nfs/dbraw/zinc/62/59/68/411625968.db2.gz XHKWHLUQQVPNSQ-KXUCPTDWSA-N 1 0 228.292 -1.108 20 0 BAADRO CC1(CN2CCN(CC(N)=O)C(=O)C2)COC1 ZINC000660776257 411625958 /nfs/dbraw/zinc/62/59/58/411625958.db2.gz APALOHPFQPMROF-UHFFFAOYSA-N 1 0 241.291 -1.348 20 0 BAADRO CO[C@@H]1COC[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000660779643 411628500 /nfs/dbraw/zinc/62/85/00/411628500.db2.gz FZWMEHXGNCKINM-JGVFFNPUSA-N 1 0 243.263 -1.458 20 0 BAADRO CO[C@@H]1COC[C@@H]1[NH2+]CCOCCO ZINC000660779957 411629055 /nfs/dbraw/zinc/62/90/55/411629055.db2.gz KQCJDSLENGWZOV-DTWKUNHWSA-N 1 0 205.254 -1.001 20 0 BAADRO CS(=O)(=O)NCCN1CC[C@@]2(O)C[C@H]2C1 ZINC000661716431 411855513 /nfs/dbraw/zinc/85/55/13/411855513.db2.gz RGNQHDGPGXBBSS-DTWKUNHWSA-N 1 0 234.321 -1.008 20 0 BAADRO O=C1CN(C[C@H]2CCC3(C[NH2+]C3)O2)CCN1 ZINC000662249258 412045940 /nfs/dbraw/zinc/04/59/40/412045940.db2.gz LBJHHZTWFFQSJA-SECBINFHSA-N 1 0 225.292 -1.061 20 0 BAADRO O=C1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)CCN1 ZINC000662249259 412047775 /nfs/dbraw/zinc/04/77/75/412047775.db2.gz LBJHHZTWFFQSJA-VIFPVBQESA-N 1 0 225.292 -1.061 20 0 BAADRO CCN1CC[C@H](N(C)C[C@H](O)C[NH3+])C1=O ZINC000662276298 412069543 /nfs/dbraw/zinc/06/95/43/412069543.db2.gz IXFJCWZUZGOYSN-BDAKNGLRSA-N 1 0 215.297 -1.141 20 0 BAADRO CCN1CC[C@@H](N(C)C[C@@H](O)C[NH3+])C1=O ZINC000662276299 412070080 /nfs/dbraw/zinc/07/00/80/412070080.db2.gz IXFJCWZUZGOYSN-DTWKUNHWSA-N 1 0 215.297 -1.141 20 0 BAADRO CCN1CC[C@H](N(C)C[C@@H](O)C[NH3+])C1=O ZINC000662276300 412069000 /nfs/dbraw/zinc/06/90/00/412069000.db2.gz IXFJCWZUZGOYSN-IUCAKERBSA-N 1 0 215.297 -1.141 20 0 BAADRO CCN1CC[C@@H](N(C)C[C@H](O)C[NH3+])C1=O ZINC000662276301 412069659 /nfs/dbraw/zinc/06/96/59/412069659.db2.gz IXFJCWZUZGOYSN-RKDXNWHRSA-N 1 0 215.297 -1.141 20 0 BAADRO CN(C[C@H](O)C[NH3+])[C@H]1CCCN(C)C1=O ZINC000662278535 409597814 /nfs/dbraw/zinc/59/78/14/409597814.db2.gz ZDEDTGMFKDEDSM-BDAKNGLRSA-N 1 0 215.297 -1.141 20 0 BAADRO CN(C[C@@H](O)C[NH3+])[C@@H]1CCCN(C)C1=O ZINC000662278540 409596593 /nfs/dbraw/zinc/59/65/93/409596593.db2.gz ZDEDTGMFKDEDSM-DTWKUNHWSA-N 1 0 215.297 -1.141 20 0 BAADRO CN(C[C@@H](O)C[NH3+])[C@H]1CCCN(C)C1=O ZINC000662278545 409597396 /nfs/dbraw/zinc/59/73/96/409597396.db2.gz ZDEDTGMFKDEDSM-IUCAKERBSA-N 1 0 215.297 -1.141 20 0 BAADRO CN(C[C@H](O)C[NH3+])[C@@H]1CCCN(C)C1=O ZINC000662278546 409595995 /nfs/dbraw/zinc/59/59/95/409595995.db2.gz ZDEDTGMFKDEDSM-RKDXNWHRSA-N 1 0 215.297 -1.141 20 0 BAADRO O=C1N=NC2CN(C[C@H]3C[NH2+]CCO3)CCN12 ZINC000662278705 412070814 /nfs/dbraw/zinc/07/08/14/412070814.db2.gz KSVMEMFLKFZVRZ-MRVPVSSYSA-N 1 0 239.279 -1.212 20 0 BAADRO O=C1N=NC2CN(C[C@@H]3C[NH2+]CCO3)CCN12 ZINC000662278706 412070733 /nfs/dbraw/zinc/07/07/33/412070733.db2.gz KSVMEMFLKFZVRZ-QMMMGPOBSA-N 1 0 239.279 -1.212 20 0 BAADRO Cc1cc(CN(CC[NH3+])C[C@@H](O)CO)nn1C ZINC000662285882 412078008 /nfs/dbraw/zinc/07/80/08/412078008.db2.gz KWCSLVLRAJDAFL-LLVKDONJSA-N 1 0 242.323 -1.158 20 0 BAADRO Cc1cc(CN(CC[NH3+])C[C@H](O)CO)nn1C ZINC000662285883 412078563 /nfs/dbraw/zinc/07/85/63/412078563.db2.gz KWCSLVLRAJDAFL-NSHDSACASA-N 1 0 242.323 -1.158 20 0 BAADRO COC[C@@H](CN(CC[NH3+])C[C@@H](O)CO)OC ZINC000662285907 412077005 /nfs/dbraw/zinc/07/70/05/412077005.db2.gz MMKQGFFSPXUTMB-NXEZZACHSA-N 1 0 236.312 -1.738 20 0 BAADRO COC[C@H](CN(CC[NH3+])C[C@H](O)CO)OC ZINC000662285908 412077196 /nfs/dbraw/zinc/07/71/96/412077196.db2.gz MMKQGFFSPXUTMB-UWVGGRQHSA-N 1 0 236.312 -1.738 20 0 BAADRO COC[C@@H](CN(CC[NH3+])C[C@H](O)CO)OC ZINC000662285910 412077678 /nfs/dbraw/zinc/07/76/78/412077678.db2.gz MMKQGFFSPXUTMB-VHSXEESVSA-N 1 0 236.312 -1.738 20 0 BAADRO COC[C@H](CN(CC[NH3+])C[C@@H](O)CO)OC ZINC000662285914 412051334 /nfs/dbraw/zinc/05/13/34/412051334.db2.gz MMKQGFFSPXUTMB-ZJUUUORDSA-N 1 0 236.312 -1.738 20 0 BAADRO [NH3+]CCN(CCN1CCOCC1)C[C@@H](O)CO ZINC000662287437 487538373 /nfs/dbraw/zinc/53/83/73/487538373.db2.gz AABMWQYMQOTULB-LLVKDONJSA-N 1 0 247.339 -2.068 20 0 BAADRO [NH3+]CCN(CCN1CCOCC1)C[C@H](O)CO ZINC000662287438 487538027 /nfs/dbraw/zinc/53/80/27/487538027.db2.gz AABMWQYMQOTULB-NSHDSACASA-N 1 0 247.339 -2.068 20 0 BAADRO Cn1nccc1CN(CC[NH3+])C[C@H](O)CO ZINC000662287483 487538076 /nfs/dbraw/zinc/53/80/76/487538076.db2.gz AUKHDNDHIVQWBM-JTQLQIEISA-N 1 0 228.296 -1.466 20 0 BAADRO Cn1nccc1CN(CC[NH3+])C[C@@H](O)CO ZINC000662287484 487537624 /nfs/dbraw/zinc/53/76/24/487537624.db2.gz AUKHDNDHIVQWBM-SNVBAGLBSA-N 1 0 228.296 -1.466 20 0 BAADRO Cn1cc(CN(CC[NH3+])C[C@H](O)CO)cn1 ZINC000662287529 412079469 /nfs/dbraw/zinc/07/94/69/412079469.db2.gz BWZRPQBJSFGFAU-JTQLQIEISA-N 1 0 228.296 -1.466 20 0 BAADRO Cn1cc(CN(CC[NH3+])C[C@@H](O)CO)cn1 ZINC000662287530 412079133 /nfs/dbraw/zinc/07/91/33/412079133.db2.gz BWZRPQBJSFGFAU-SNVBAGLBSA-N 1 0 228.296 -1.466 20 0 BAADRO [NH3+]CCN(CCn1cccn1)C[C@H](O)CO ZINC000662287537 412080548 /nfs/dbraw/zinc/08/05/48/412080548.db2.gz BZTAOSBQOSPQDZ-JTQLQIEISA-N 1 0 228.296 -1.503 20 0 BAADRO [NH3+]CCN(CCn1cccn1)C[C@@H](O)CO ZINC000662287538 412079134 /nfs/dbraw/zinc/07/91/34/412079134.db2.gz BZTAOSBQOSPQDZ-SNVBAGLBSA-N 1 0 228.296 -1.503 20 0 BAADRO [NH3+]CCN(C[C@@H](O)CO)C[C@H]1CCOC1 ZINC000662287577 412079979 /nfs/dbraw/zinc/07/99/79/412079979.db2.gz CXNDNSUGFWVXDE-NXEZZACHSA-N 1 0 218.297 -1.363 20 0 BAADRO [NH3+]CCN(C[C@H](O)CO)C[C@@H]1CCOC1 ZINC000662287578 412080239 /nfs/dbraw/zinc/08/02/39/412080239.db2.gz CXNDNSUGFWVXDE-UWVGGRQHSA-N 1 0 218.297 -1.363 20 0 BAADRO [NH3+]CCN(C[C@@H](O)CO)C[C@@H]1CCOC1 ZINC000662287579 412079186 /nfs/dbraw/zinc/07/91/86/412079186.db2.gz CXNDNSUGFWVXDE-VHSXEESVSA-N 1 0 218.297 -1.363 20 0 BAADRO [NH3+]CCN(C[C@H](O)CO)C[C@H]1CCOC1 ZINC000662287580 412079024 /nfs/dbraw/zinc/07/90/24/412079024.db2.gz CXNDNSUGFWVXDE-ZJUUUORDSA-N 1 0 218.297 -1.363 20 0 BAADRO Nc1cc(CN(CC[NH3+])C[C@H](O)CO)ccn1 ZINC000662287585 412080305 /nfs/dbraw/zinc/08/03/05/412080305.db2.gz CZWZMOQZKXABCW-JTQLQIEISA-N 1 0 240.307 -1.222 20 0 BAADRO Nc1cc(CN(CC[NH3+])C[C@@H](O)CO)ccn1 ZINC000662287586 412079564 /nfs/dbraw/zinc/07/95/64/412079564.db2.gz CZWZMOQZKXABCW-SNVBAGLBSA-N 1 0 240.307 -1.222 20 0 BAADRO CN(C)C(=O)CCN(CC[NH3+])C[C@@H](O)CO ZINC000662287593 409618661 /nfs/dbraw/zinc/61/86/61/409618661.db2.gz DQEORBWFUXHPFF-SECBINFHSA-N 1 0 233.312 -1.921 20 0 BAADRO CN(C)C(=O)CCN(CC[NH3+])C[C@H](O)CO ZINC000662287594 409619655 /nfs/dbraw/zinc/61/96/55/409619655.db2.gz DQEORBWFUXHPFF-VIFPVBQESA-N 1 0 233.312 -1.921 20 0 BAADRO Cc1nnsc1CN(CC[NH3+])C[C@@H](O)CO ZINC000662287683 412079344 /nfs/dbraw/zinc/07/93/44/412079344.db2.gz GTOVWNZHUNYQFX-MRVPVSSYSA-N 1 0 246.336 -1.040 20 0 BAADRO Cc1nnsc1CN(CC[NH3+])C[C@H](O)CO ZINC000662287684 412080552 /nfs/dbraw/zinc/08/05/52/412080552.db2.gz GTOVWNZHUNYQFX-QMMMGPOBSA-N 1 0 246.336 -1.040 20 0 BAADRO [NH3+]CCN(CCOCC(F)F)C[C@@H](O)CO ZINC000662287707 412080087 /nfs/dbraw/zinc/08/00/87/412080087.db2.gz HHGWTJYXEIEPJE-MRVPVSSYSA-N 1 0 242.266 -1.118 20 0 BAADRO [NH3+]CCN(CCOCC(F)F)C[C@H](O)CO ZINC000662287708 412079302 /nfs/dbraw/zinc/07/93/02/412079302.db2.gz HHGWTJYXEIEPJE-QMMMGPOBSA-N 1 0 242.266 -1.118 20 0 BAADRO CCNC(=O)CN(CC[NH3+])C[C@@H](O)CO ZINC000662287751 412051860 /nfs/dbraw/zinc/05/18/60/412051860.db2.gz IEHHLWDZYDZUMO-MRVPVSSYSA-N 1 0 219.285 -2.264 20 0 BAADRO CCNC(=O)CN(CC[NH3+])C[C@H](O)CO ZINC000662287752 412054774 /nfs/dbraw/zinc/05/47/74/412054774.db2.gz IEHHLWDZYDZUMO-QMMMGPOBSA-N 1 0 219.285 -2.264 20 0 BAADRO CN(C(=O)CN(CC[NH3+])C[C@H](O)CO)C1CC1 ZINC000662287763 409619145 /nfs/dbraw/zinc/61/91/45/409619145.db2.gz IOJRHPQFSRPOEL-JTQLQIEISA-N 1 0 245.323 -1.779 20 0 BAADRO CN(C(=O)CN(CC[NH3+])C[C@@H](O)CO)C1CC1 ZINC000662287764 409619135 /nfs/dbraw/zinc/61/91/35/409619135.db2.gz IOJRHPQFSRPOEL-SNVBAGLBSA-N 1 0 245.323 -1.779 20 0 BAADRO CCN(C)C(=O)CCN(CC[NH3+])C[C@H](O)CO ZINC000662287783 409619222 /nfs/dbraw/zinc/61/92/22/409619222.db2.gz JCIXMMWAPCHEKW-JTQLQIEISA-N 1 0 247.339 -1.531 20 0 BAADRO CCN(C)C(=O)CCN(CC[NH3+])C[C@@H](O)CO ZINC000662287784 409619455 /nfs/dbraw/zinc/61/94/55/409619455.db2.gz JCIXMMWAPCHEKW-SNVBAGLBSA-N 1 0 247.339 -1.531 20 0 BAADRO CC(C)(C)NC(=O)CN(CC[NH3+])C[C@@H](O)CO ZINC000662288094 487538892 /nfs/dbraw/zinc/53/88/92/487538892.db2.gz CPTYCRWDRCRLQM-SECBINFHSA-N 1 0 247.339 -1.485 20 0 BAADRO CC(C)(C)NC(=O)CN(CC[NH3+])C[C@H](O)CO ZINC000662288095 487539140 /nfs/dbraw/zinc/53/91/40/487539140.db2.gz CPTYCRWDRCRLQM-VIFPVBQESA-N 1 0 247.339 -1.485 20 0 BAADRO Cn1cc(CCN(CC[NH3+])C[C@@H](O)CO)cn1 ZINC000662288254 412079126 /nfs/dbraw/zinc/07/91/26/412079126.db2.gz NAUFPFSMAODWQI-LLVKDONJSA-N 1 0 242.323 -1.424 20 0 BAADRO Cn1cc(CCN(CC[NH3+])C[C@H](O)CO)cn1 ZINC000662288255 412079009 /nfs/dbraw/zinc/07/90/09/412079009.db2.gz NAUFPFSMAODWQI-NSHDSACASA-N 1 0 242.323 -1.424 20 0 BAADRO [NH3+]CCN(CC(=O)NCC1CC1)C[C@H](O)CO ZINC000662288318 412079349 /nfs/dbraw/zinc/07/93/49/412079349.db2.gz OPSJYGGZOXUJBC-JTQLQIEISA-N 1 0 245.323 -1.874 20 0 BAADRO [NH3+]CCN(CC(=O)NCC1CC1)C[C@@H](O)CO ZINC000662288319 412079034 /nfs/dbraw/zinc/07/90/34/412079034.db2.gz OPSJYGGZOXUJBC-SNVBAGLBSA-N 1 0 245.323 -1.874 20 0 BAADRO CCCNC(=O)CN(CC[NH3+])C[C@@H](O)CO ZINC000662288395 412080126 /nfs/dbraw/zinc/08/01/26/412080126.db2.gz HLXFZUCLCLZDBS-SECBINFHSA-N 1 0 233.312 -1.874 20 0 BAADRO CCCNC(=O)CN(CC[NH3+])C[C@H](O)CO ZINC000662288396 412079021 /nfs/dbraw/zinc/07/90/21/412079021.db2.gz HLXFZUCLCLZDBS-VIFPVBQESA-N 1 0 233.312 -1.874 20 0 BAADRO CC(C)NC(=O)CN(CC[NH3+])C[C@@H](O)CO ZINC000662288414 412079180 /nfs/dbraw/zinc/07/91/80/412079180.db2.gz IPRNHNPPXWLKOX-SECBINFHSA-N 1 0 233.312 -1.875 20 0 BAADRO CC(C)NC(=O)CN(CC[NH3+])C[C@H](O)CO ZINC000662288415 412079976 /nfs/dbraw/zinc/07/99/76/412079976.db2.gz IPRNHNPPXWLKOX-VIFPVBQESA-N 1 0 233.312 -1.875 20 0 BAADRO Cc1cnn(CCN(CC[NH3+])C[C@@H](O)CO)c1 ZINC000662288556 412080248 /nfs/dbraw/zinc/08/02/48/412080248.db2.gz PVNKMQVFEOGTGA-LLVKDONJSA-N 1 0 242.323 -1.195 20 0 BAADRO Cc1cnn(CCN(CC[NH3+])C[C@H](O)CO)c1 ZINC000662288557 412080197 /nfs/dbraw/zinc/08/01/97/412080197.db2.gz PVNKMQVFEOGTGA-NSHDSACASA-N 1 0 242.323 -1.195 20 0 BAADRO [NH3+]CCN(CC(=O)N1CCCC1)C[C@H](O)CO ZINC000662288609 412080061 /nfs/dbraw/zinc/08/00/61/412080061.db2.gz QYVJNYXQNILNSP-JTQLQIEISA-N 1 0 245.323 -1.777 20 0 BAADRO [NH3+]CCN(CC(=O)N1CCCC1)C[C@@H](O)CO ZINC000662288610 412080090 /nfs/dbraw/zinc/08/00/90/412080090.db2.gz QYVJNYXQNILNSP-SNVBAGLBSA-N 1 0 245.323 -1.777 20 0 BAADRO COCCCN(CC[NH3+])C[C@@H](O)CO ZINC000662288611 487627725 /nfs/dbraw/zinc/62/77/25/487627725.db2.gz RCCSYTFINAPPHR-SECBINFHSA-N 1 0 206.286 -1.363 20 0 BAADRO COCCCN(CC[NH3+])C[C@H](O)CO ZINC000662288612 487628081 /nfs/dbraw/zinc/62/80/81/487628081.db2.gz RCCSYTFINAPPHR-VIFPVBQESA-N 1 0 206.286 -1.363 20 0 BAADRO CC(C)CNC(=O)CN(CC[NH3+])C[C@H](O)CO ZINC000662288680 412079038 /nfs/dbraw/zinc/07/90/38/412079038.db2.gz KVSDGUHPAHPLOA-JTQLQIEISA-N 1 0 247.339 -1.628 20 0 BAADRO CC(C)CNC(=O)CN(CC[NH3+])C[C@@H](O)CO ZINC000662288681 412079465 /nfs/dbraw/zinc/07/94/65/412079465.db2.gz KVSDGUHPAHPLOA-SNVBAGLBSA-N 1 0 247.339 -1.628 20 0 BAADRO CCN(CC)C(=O)CN(CC[NH3+])C[C@H](O)CO ZINC000662288936 412080159 /nfs/dbraw/zinc/08/01/59/412080159.db2.gz VPIPHALQVZXISL-JTQLQIEISA-N 1 0 247.339 -1.531 20 0 BAADRO CCN(CC)C(=O)CN(CC[NH3+])C[C@@H](O)CO ZINC000662288937 412080222 /nfs/dbraw/zinc/08/02/22/412080222.db2.gz VPIPHALQVZXISL-SNVBAGLBSA-N 1 0 247.339 -1.531 20 0 BAADRO CC[C@@H](C)NC(=O)CN(CC[NH3+])C[C@@H](O)CO ZINC000662288986 487539146 /nfs/dbraw/zinc/53/91/46/487539146.db2.gz OGGUKGLAHHFRSM-NXEZZACHSA-N 1 0 247.339 -1.485 20 0 BAADRO CC[C@H](C)NC(=O)CN(CC[NH3+])C[C@H](O)CO ZINC000662288990 487539745 /nfs/dbraw/zinc/53/97/45/487539745.db2.gz OGGUKGLAHHFRSM-UWVGGRQHSA-N 1 0 247.339 -1.485 20 0 BAADRO CC[C@H](C)NC(=O)CN(CC[NH3+])C[C@@H](O)CO ZINC000662288992 487539718 /nfs/dbraw/zinc/53/97/18/487539718.db2.gz OGGUKGLAHHFRSM-VHSXEESVSA-N 1 0 247.339 -1.485 20 0 BAADRO CC[C@@H](C)NC(=O)CN(CC[NH3+])C[C@H](O)CO ZINC000662288993 487538888 /nfs/dbraw/zinc/53/88/88/487538888.db2.gz OGGUKGLAHHFRSM-ZJUUUORDSA-N 1 0 247.339 -1.485 20 0 BAADRO CCCCNC(=O)CN(CC[NH3+])C[C@H](O)CO ZINC000662289054 412080183 /nfs/dbraw/zinc/08/01/83/412080183.db2.gz QKTOULUROKKVJX-JTQLQIEISA-N 1 0 247.339 -1.483 20 0 BAADRO CCCCNC(=O)CN(CC[NH3+])C[C@@H](O)CO ZINC000662289055 412079918 /nfs/dbraw/zinc/07/99/18/412079918.db2.gz QKTOULUROKKVJX-SNVBAGLBSA-N 1 0 247.339 -1.483 20 0 BAADRO [NH3+]CCN(CCN1CCCC1=O)C[C@H](O)CO ZINC000662289083 487539096 /nfs/dbraw/zinc/53/90/96/487539096.db2.gz NAHIIRSNWZLWFQ-JTQLQIEISA-N 1 0 245.323 -1.777 20 0 BAADRO [NH3+]CCN(CCN1CCCC1=O)C[C@@H](O)CO ZINC000662289084 487540439 /nfs/dbraw/zinc/54/04/39/487540439.db2.gz NAHIIRSNWZLWFQ-SNVBAGLBSA-N 1 0 245.323 -1.777 20 0 BAADRO CCc1noc(CN(CC[NH3+])C[C@@H](O)CO)n1 ZINC000662289398 487539206 /nfs/dbraw/zinc/53/92/06/487539206.db2.gz QBOBDCGVKPHTQS-MRVPVSSYSA-N 1 0 244.295 -1.254 20 0 BAADRO CCc1noc(CN(CC[NH3+])C[C@H](O)CO)n1 ZINC000662289399 487539920 /nfs/dbraw/zinc/53/99/20/487539920.db2.gz QBOBDCGVKPHTQS-QMMMGPOBSA-N 1 0 244.295 -1.254 20 0 BAADRO CCOCCN(CC[NH3+])C[C@@H](O)CO ZINC000662289476 412079685 /nfs/dbraw/zinc/07/96/85/412079685.db2.gz SGAYKFQVGYMBCZ-SECBINFHSA-N 1 0 206.286 -1.363 20 0 BAADRO CCOCCN(CC[NH3+])C[C@H](O)CO ZINC000662289477 412079748 /nfs/dbraw/zinc/07/97/48/412079748.db2.gz SGAYKFQVGYMBCZ-VIFPVBQESA-N 1 0 206.286 -1.363 20 0 BAADRO [NH3+]CCN(CC(=O)NC1CC1)C[C@@H](O)CO ZINC000662289571 412079248 /nfs/dbraw/zinc/07/92/48/412079248.db2.gz YXCYERDASPPJHT-SECBINFHSA-N 1 0 231.296 -2.121 20 0 BAADRO [NH3+]CCN(CC(=O)NC1CC1)C[C@H](O)CO ZINC000662289572 412080027 /nfs/dbraw/zinc/08/00/27/412080027.db2.gz YXCYERDASPPJHT-VIFPVBQESA-N 1 0 231.296 -2.121 20 0 BAADRO CCc1nc(CN(CC[NH3+])C[C@@H](O)CO)no1 ZINC000662289752 412079454 /nfs/dbraw/zinc/07/94/54/412079454.db2.gz VTIMWTLBSAIDTK-MRVPVSSYSA-N 1 0 244.295 -1.254 20 0 BAADRO CCc1nc(CN(CC[NH3+])C[C@H](O)CO)no1 ZINC000662289753 412079141 /nfs/dbraw/zinc/07/91/41/412079141.db2.gz VTIMWTLBSAIDTK-QMMMGPOBSA-N 1 0 244.295 -1.254 20 0 BAADRO CN(CC(=O)N1CCNC(=O)C1)CC(C)(C)[NH3+] ZINC000662296669 487543587 /nfs/dbraw/zinc/54/35/87/487543587.db2.gz DPNZLXUESVYWSR-UHFFFAOYSA-N 1 0 242.323 -1.386 20 0 BAADRO CS(=O)(=O)NCCN1CC2CC1(C[NH3+])C2 ZINC000662304138 412088912 /nfs/dbraw/zinc/08/89/12/412088912.db2.gz JHQSTIPELKSPTB-UHFFFAOYSA-N 1 0 233.337 -1.041 20 0 BAADRO C[C@@H]1CN(CC[NH3+])CCN1S(C)(=O)=O ZINC000662310886 412088114 /nfs/dbraw/zinc/08/81/14/412088114.db2.gz OSEOBYXGDNVFAA-MRVPVSSYSA-N 1 0 221.326 -1.089 20 0 BAADRO CO[C@@H]1CS(=O)(=O)[C@H]2CN(CC[NH3+])C[C@H]21 ZINC000662312542 412094398 /nfs/dbraw/zinc/09/43/98/412094398.db2.gz HTRLQGGXQLPYAN-YIZRAAEISA-N 1 0 234.321 -1.311 20 0 BAADRO CS(=O)(=O)NCCN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662321144 412101058 /nfs/dbraw/zinc/10/10/58/412101058.db2.gz FSVRBACXLYLTBR-HTQZYQBOSA-N 1 0 239.316 -1.093 20 0 BAADRO [NH3+][C@@H]1CN(CCN2C(=O)CNC2=O)CC[C@H]1F ZINC000662323777 412103168 /nfs/dbraw/zinc/10/31/68/412103168.db2.gz UPGNIEWEQJPTEJ-HTQZYQBOSA-N 1 0 244.270 -1.091 20 0 BAADRO CC(C)OC[C@H]([NH3+])C(=O)NCC(=O)N(C)C ZINC000662350999 412120294 /nfs/dbraw/zinc/12/02/94/412120294.db2.gz KEPNDFSKCCBSQW-QMMMGPOBSA-N 1 0 231.296 -1.057 20 0 BAADRO CC[C@@H]([NH2+]C)C(=O)NCC(=O)NCCOC ZINC000662355987 412121779 /nfs/dbraw/zinc/12/17/79/412121779.db2.gz NGHINWVMBGGZRA-MRVPVSSYSA-N 1 0 231.296 -1.137 20 0 BAADRO CC[C@H]([NH2+]C)C(=O)NCC(=O)NCCOC ZINC000662355991 412121565 /nfs/dbraw/zinc/12/15/65/412121565.db2.gz NGHINWVMBGGZRA-QMMMGPOBSA-N 1 0 231.296 -1.137 20 0 BAADRO CC[C@@H]([NH2+]C)C(=O)NCCNS(C)(=O)=O ZINC000662374977 412130381 /nfs/dbraw/zinc/13/03/81/412130381.db2.gz PVMVQXWGEQWHSG-SSDOTTSWSA-N 1 0 237.325 -1.350 20 0 BAADRO CC[C@H]([NH2+]C)C(=O)NCCNS(C)(=O)=O ZINC000662374980 412129844 /nfs/dbraw/zinc/12/98/44/412129844.db2.gz PVMVQXWGEQWHSG-ZETCQYMHSA-N 1 0 237.325 -1.350 20 0 BAADRO CN1C[C@H](C(=O)N2CCC[C@@H]([NH3+])C2)NC1=O ZINC000662387435 412140004 /nfs/dbraw/zinc/14/00/04/412140004.db2.gz HWVIJYVSKGJIHQ-HTQZYQBOSA-N 1 0 226.280 -1.040 20 0 BAADRO CN1C[C@H](C(=O)N2CCC[C@H]([NH3+])C2)NC1=O ZINC000662387436 412140513 /nfs/dbraw/zinc/14/05/13/412140513.db2.gz HWVIJYVSKGJIHQ-JGVFFNPUSA-N 1 0 226.280 -1.040 20 0 BAADRO CN1C[C@@H](C(=O)N2CCC[C@@H]([NH3+])C2)NC1=O ZINC000662387437 412139521 /nfs/dbraw/zinc/13/95/21/412139521.db2.gz HWVIJYVSKGJIHQ-SFYZADRCSA-N 1 0 226.280 -1.040 20 0 BAADRO CN1C[C@@H](C(=O)N2CCC[C@H]([NH3+])C2)NC1=O ZINC000662387438 412139785 /nfs/dbraw/zinc/13/97/85/412139785.db2.gz HWVIJYVSKGJIHQ-YUMQZZPRSA-N 1 0 226.280 -1.040 20 0 BAADRO CN1C[C@H](C(=O)N2CCC([NH3+])CC2)NC1=O ZINC000662388248 412140632 /nfs/dbraw/zinc/14/06/32/412140632.db2.gz MYHZAIUOMLZJCF-MRVPVSSYSA-N 1 0 226.280 -1.040 20 0 BAADRO CN1C[C@@H](C(=O)N2CCC([NH3+])CC2)NC1=O ZINC000662388250 412139666 /nfs/dbraw/zinc/13/96/66/412139666.db2.gz MYHZAIUOMLZJCF-QMMMGPOBSA-N 1 0 226.280 -1.040 20 0 BAADRO [NH3+]CCNC(=O)CN1CCN(C2CC2)C1=O ZINC000662389852 412141803 /nfs/dbraw/zinc/14/18/03/412141803.db2.gz FNVNKOCJPRBVGH-UHFFFAOYSA-N 1 0 226.280 -1.039 20 0 BAADRO [NH3+]CCNC(=O)c1ccn2nnnc2c1 ZINC000662390234 412141127 /nfs/dbraw/zinc/14/11/27/412141127.db2.gz IWWQUXKFYJHAPD-UHFFFAOYSA-N 1 0 206.209 -1.187 20 0 BAADRO CN1C[C@H](C(=O)NC2CC[NH2+]CC2)NC1=O ZINC000662391151 412142128 /nfs/dbraw/zinc/14/21/28/412142128.db2.gz WVPAOGDIOXBBHI-MRVPVSSYSA-N 1 0 226.280 -1.122 20 0 BAADRO CN1C[C@@H](C(=O)NC2CC[NH2+]CC2)NC1=O ZINC000662391154 412141675 /nfs/dbraw/zinc/14/16/75/412141675.db2.gz WVPAOGDIOXBBHI-QMMMGPOBSA-N 1 0 226.280 -1.122 20 0 BAADRO CC(=O)N1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662391808 412142716 /nfs/dbraw/zinc/14/27/16/412142716.db2.gz JGTXYQYWCZUWDZ-UHFFFAOYSA-N 1 0 227.264 -1.989 20 0 BAADRO O=C(N1CC[NH2+]CC1)C1(n2cnnn2)CC1 ZINC000662392984 412143377 /nfs/dbraw/zinc/14/33/77/412143377.db2.gz KQENLYVUDMSBRD-UHFFFAOYSA-N 1 0 222.252 -1.406 20 0 BAADRO CN1C[C@@H](C(=O)NCCC[NH3+])NC1=O ZINC000662393242 412143704 /nfs/dbraw/zinc/14/37/04/412143704.db2.gz DUGRLWSTPDIAEC-LURJTMIESA-N 1 0 200.242 -1.525 20 0 BAADRO CN1C[C@H](C(=O)NCCC[NH3+])NC1=O ZINC000662393245 412143084 /nfs/dbraw/zinc/14/30/84/412143084.db2.gz DUGRLWSTPDIAEC-ZCFIWIBFSA-N 1 0 200.242 -1.525 20 0 BAADRO [NH3+][C@@H]1CCN(C(=O)C2(n3cnnn3)CC2)C1 ZINC000662393437 409695487 /nfs/dbraw/zinc/69/54/87/409695487.db2.gz GFSULHSSHNSJJU-SSDOTTSWSA-N 1 0 222.252 -1.278 20 0 BAADRO [NH3+]CCCNC(=O)C1(n2cnnn2)CC1 ZINC000662393722 412143404 /nfs/dbraw/zinc/14/34/04/412143404.db2.gz IHNYWQAPBCKWOX-UHFFFAOYSA-N 1 0 210.241 -1.373 20 0 BAADRO CN1C[C@H](C(=O)N2CC[C@@H]([NH3+])C2)NC1=O ZINC000662394442 412144668 /nfs/dbraw/zinc/14/46/68/412144668.db2.gz VTJPYLKQBYGGTQ-RNFRBKRXSA-N 1 0 212.253 -1.430 20 0 BAADRO CN1C[C@@H](C(=O)N2CC[C@@H]([NH3+])C2)NC1=O ZINC000662394443 412144202 /nfs/dbraw/zinc/14/42/02/412144202.db2.gz VTJPYLKQBYGGTQ-RQJHMYQMSA-N 1 0 212.253 -1.430 20 0 BAADRO CN1C[C@H](C(=O)N2CCC[NH2+]CC2)NC1=O ZINC000662395183 412144192 /nfs/dbraw/zinc/14/41/92/412144192.db2.gz CBHWQRXQLORBCI-MRVPVSSYSA-N 1 0 226.280 -1.168 20 0 BAADRO CN1C[C@@H](C(=O)N2CCC[NH2+]CC2)NC1=O ZINC000662395186 412145154 /nfs/dbraw/zinc/14/51/54/412145154.db2.gz CBHWQRXQLORBCI-QMMMGPOBSA-N 1 0 226.280 -1.168 20 0 BAADRO C[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC000662395473 412145723 /nfs/dbraw/zinc/14/57/23/412145723.db2.gz HXDFLDNAXMCRAQ-HTQZYQBOSA-N 1 0 226.280 -1.170 20 0 BAADRO C[NH2+][C@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC000662395476 412145828 /nfs/dbraw/zinc/14/58/28/412145828.db2.gz HXDFLDNAXMCRAQ-JGVFFNPUSA-N 1 0 226.280 -1.170 20 0 BAADRO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC000662395477 412145465 /nfs/dbraw/zinc/14/54/65/412145465.db2.gz HXDFLDNAXMCRAQ-SFYZADRCSA-N 1 0 226.280 -1.170 20 0 BAADRO C[NH2+][C@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC000662395479 412145774 /nfs/dbraw/zinc/14/57/74/412145774.db2.gz HXDFLDNAXMCRAQ-YUMQZZPRSA-N 1 0 226.280 -1.170 20 0 BAADRO O=C(N1CCC[NH2+]CC1)C1(n2cnnn2)CC1 ZINC000662395994 412145866 /nfs/dbraw/zinc/14/58/66/412145866.db2.gz OBSPQZJQZFTGBV-UHFFFAOYSA-N 1 0 236.279 -1.016 20 0 BAADRO CN1C[C@H](C(=O)N[C@@H]2CCC[NH2+]C2)NC1=O ZINC000662396323 412145667 /nfs/dbraw/zinc/14/56/67/412145667.db2.gz WTFMBXJJUBYZMH-HTQZYQBOSA-N 1 0 226.280 -1.122 20 0 BAADRO CN1C[C@H](C(=O)N[C@H]2CCC[NH2+]C2)NC1=O ZINC000662396324 412146243 /nfs/dbraw/zinc/14/62/43/412146243.db2.gz WTFMBXJJUBYZMH-JGVFFNPUSA-N 1 0 226.280 -1.122 20 0 BAADRO CN1C[C@@H](C(=O)N[C@@H]2CCC[NH2+]C2)NC1=O ZINC000662396326 412146176 /nfs/dbraw/zinc/14/61/76/412146176.db2.gz WTFMBXJJUBYZMH-SFYZADRCSA-N 1 0 226.280 -1.122 20 0 BAADRO CN1C[C@@H](C(=O)N[C@H]2CCC[NH2+]C2)NC1=O ZINC000662396328 412146070 /nfs/dbraw/zinc/14/60/70/412146070.db2.gz WTFMBXJJUBYZMH-YUMQZZPRSA-N 1 0 226.280 -1.122 20 0 BAADRO C[NH2+]CCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC000662397267 412147135 /nfs/dbraw/zinc/14/71/35/412147135.db2.gz BFEOHGGKJMTFOI-SSDOTTSWSA-N 1 0 214.269 -1.264 20 0 BAADRO C[NH2+]CCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000662397268 412147464 /nfs/dbraw/zinc/14/74/64/412147464.db2.gz BFEOHGGKJMTFOI-ZETCQYMHSA-N 1 0 214.269 -1.264 20 0 BAADRO C[NH2+]CCCNC(=O)C1(n2cnnn2)CC1 ZINC000662399015 491099776 /nfs/dbraw/zinc/09/97/76/491099776.db2.gz YEASYNMQHXGTIM-UHFFFAOYSA-N 1 0 224.268 -1.112 20 0 BAADRO COC[C@H](OC)C(=O)NCCN1CC[NH2+]CC1 ZINC000662399866 412148695 /nfs/dbraw/zinc/14/86/95/412148695.db2.gz DKJZCQBSPMHWOH-JTQLQIEISA-N 1 0 245.323 -1.331 20 0 BAADRO COC[C@@H](OC)C(=O)NCCN1CC[NH2+]CC1 ZINC000662399867 412149456 /nfs/dbraw/zinc/14/94/56/412149456.db2.gz DKJZCQBSPMHWOH-SNVBAGLBSA-N 1 0 245.323 -1.331 20 0 BAADRO CN1C[C@@H](C(=O)N[C@H]2CC[NH2+]C2)NC1=O ZINC000662400707 412148768 /nfs/dbraw/zinc/14/87/68/412148768.db2.gz DVGVPARZNGHQPQ-BQBZGAKWSA-N 1 0 212.253 -1.512 20 0 BAADRO CN1C[C@H](C(=O)N[C@H]2CC[NH2+]C2)NC1=O ZINC000662400717 412148416 /nfs/dbraw/zinc/14/84/16/412148416.db2.gz DVGVPARZNGHQPQ-NKWVEPMBSA-N 1 0 212.253 -1.512 20 0 BAADRO C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CN(C)C(=O)N1 ZINC000662402884 412150669 /nfs/dbraw/zinc/15/06/69/412150669.db2.gz FRNNXVUSUVVJDM-HTQZYQBOSA-N 1 0 226.280 -1.170 20 0 BAADRO C[C@H]1C[NH2+]CCN1C(=O)[C@H]1CN(C)C(=O)N1 ZINC000662402886 412150846 /nfs/dbraw/zinc/15/08/46/412150846.db2.gz FRNNXVUSUVVJDM-JGVFFNPUSA-N 1 0 226.280 -1.170 20 0 BAADRO C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CN(C)C(=O)N1 ZINC000662402888 412150383 /nfs/dbraw/zinc/15/03/83/412150383.db2.gz FRNNXVUSUVVJDM-SFYZADRCSA-N 1 0 226.280 -1.170 20 0 BAADRO C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CN(C)C(=O)N1 ZINC000662402889 412147386 /nfs/dbraw/zinc/14/73/86/412147386.db2.gz FRNNXVUSUVVJDM-YUMQZZPRSA-N 1 0 226.280 -1.170 20 0 BAADRO [NH3+][C@H]1CCN(C(=O)C2(n3cnnn3)CC2)C1 ZINC000662403552 412150694 /nfs/dbraw/zinc/15/06/94/412150694.db2.gz GFSULHSSHNSJJU-ZETCQYMHSA-N 1 0 222.252 -1.278 20 0 BAADRO CN1C[C@@H](C(=O)N2CC[C@H]([NH3+])C2)NC1=O ZINC000662405393 412151857 /nfs/dbraw/zinc/15/18/57/412151857.db2.gz VTJPYLKQBYGGTQ-BQBZGAKWSA-N 1 0 212.253 -1.430 20 0 BAADRO CN1C[C@H](C(=O)N2CC[C@H]([NH3+])C2)NC1=O ZINC000662405396 412151990 /nfs/dbraw/zinc/15/19/90/412151990.db2.gz VTJPYLKQBYGGTQ-NKWVEPMBSA-N 1 0 212.253 -1.430 20 0 BAADRO CN1C[C@H](C(=O)N2CC[C@H](C[NH3+])C2)NC1=O ZINC000662406685 490066681 /nfs/dbraw/zinc/06/66/81/490066681.db2.gz IBTANSRCLJWCKO-HTQZYQBOSA-N 1 0 226.280 -1.183 20 0 BAADRO CN1C[C@H](C(=O)N2CC[C@@H](C[NH3+])C2)NC1=O ZINC000662406686 490066746 /nfs/dbraw/zinc/06/67/46/490066746.db2.gz IBTANSRCLJWCKO-JGVFFNPUSA-N 1 0 226.280 -1.183 20 0 BAADRO CN1C[C@@H](C(=O)N2CC[C@H](C[NH3+])C2)NC1=O ZINC000662406687 490066725 /nfs/dbraw/zinc/06/67/25/490066725.db2.gz IBTANSRCLJWCKO-SFYZADRCSA-N 1 0 226.280 -1.183 20 0 BAADRO CN1C[C@@H](C(=O)N2CC[C@@H](C[NH3+])C2)NC1=O ZINC000662406688 490066660 /nfs/dbraw/zinc/06/66/60/490066660.db2.gz IBTANSRCLJWCKO-YUMQZZPRSA-N 1 0 226.280 -1.183 20 0 BAADRO C[NH2+]CCNC(=O)C1(n2cnnn2)CC1 ZINC000662407802 409701743 /nfs/dbraw/zinc/70/17/43/409701743.db2.gz ICDOTPFVLGRGES-UHFFFAOYSA-N 1 0 210.241 -1.502 20 0 BAADRO C[NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000662408720 412153484 /nfs/dbraw/zinc/15/34/84/412153484.db2.gz YUVOVURDWODSPO-LURJTMIESA-N 1 0 200.242 -1.654 20 0 BAADRO C[NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC000662408721 412152696 /nfs/dbraw/zinc/15/26/96/412152696.db2.gz YUVOVURDWODSPO-ZCFIWIBFSA-N 1 0 200.242 -1.654 20 0 BAADRO CC[NH2+]CCNC(=O)C1(n2cnnn2)CC1 ZINC000662409106 409701645 /nfs/dbraw/zinc/70/16/45/409701645.db2.gz HPDXWOKOABVICY-UHFFFAOYSA-N 1 0 224.268 -1.112 20 0 BAADRO CC[NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC000662410067 412154578 /nfs/dbraw/zinc/15/45/78/412154578.db2.gz VBZNZVOUAOMIEF-SSDOTTSWSA-N 1 0 214.269 -1.264 20 0 BAADRO CC[NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000662410068 412154307 /nfs/dbraw/zinc/15/43/07/412154307.db2.gz VBZNZVOUAOMIEF-ZETCQYMHSA-N 1 0 214.269 -1.264 20 0 BAADRO CN1C[C@H](C(=O)NCC[NH2+]C2CC2)NC1=O ZINC000662410870 412155983 /nfs/dbraw/zinc/15/59/83/412155983.db2.gz DJZJFIUOVUSJFK-MRVPVSSYSA-N 1 0 226.280 -1.122 20 0 BAADRO CN1C[C@@H](C(=O)NCC[NH2+]C2CC2)NC1=O ZINC000662410871 412155816 /nfs/dbraw/zinc/15/58/16/412155816.db2.gz DJZJFIUOVUSJFK-QMMMGPOBSA-N 1 0 226.280 -1.122 20 0 BAADRO CN1C[C@@H](C(=O)NC(C)(C)C[NH3+])NC1=O ZINC000662411064 412155987 /nfs/dbraw/zinc/15/59/87/412155987.db2.gz RRUPDNOVEAOASK-LURJTMIESA-N 1 0 214.269 -1.137 20 0 BAADRO CN1C[C@H](C(=O)NC(C)(C)C[NH3+])NC1=O ZINC000662411065 412156018 /nfs/dbraw/zinc/15/60/18/412156018.db2.gz RRUPDNOVEAOASK-ZCFIWIBFSA-N 1 0 214.269 -1.137 20 0 BAADRO CN1C[C@H](C(=O)NC[C@H]2CCC[NH2+]2)NC1=O ZINC000662411255 412155542 /nfs/dbraw/zinc/15/55/42/412155542.db2.gz HXBYXBGOIUWJQW-HTQZYQBOSA-N 1 0 226.280 -1.122 20 0 BAADRO CN1C[C@H](C(=O)NC[C@@H]2CCC[NH2+]2)NC1=O ZINC000662411256 412155859 /nfs/dbraw/zinc/15/58/59/412155859.db2.gz HXBYXBGOIUWJQW-JGVFFNPUSA-N 1 0 226.280 -1.122 20 0 BAADRO CN1C[C@@H](C(=O)NC[C@H]2CCC[NH2+]2)NC1=O ZINC000662411257 412155657 /nfs/dbraw/zinc/15/56/57/412155657.db2.gz HXBYXBGOIUWJQW-SFYZADRCSA-N 1 0 226.280 -1.122 20 0 BAADRO CN1C[C@@H](C(=O)NC[C@@H]2CCC[NH2+]2)NC1=O ZINC000662411258 412155211 /nfs/dbraw/zinc/15/52/11/412155211.db2.gz HXBYXBGOIUWJQW-YUMQZZPRSA-N 1 0 226.280 -1.122 20 0 BAADRO Nc1ccc(NC(=O)C2(O)C[NH2+]C2)cn1 ZINC000662413423 487603409 /nfs/dbraw/zinc/60/34/09/487603409.db2.gz WSUCPDQFWYGWGB-UHFFFAOYSA-N 1 0 208.221 -1.063 20 0 BAADRO CN(C(=O)[C@H]1CN(C)C(=O)N1)[C@@H]1CC[NH2+]C1 ZINC000662415243 412157288 /nfs/dbraw/zinc/15/72/88/412157288.db2.gz NOBUFQXJNMUBHL-HTQZYQBOSA-N 1 0 226.280 -1.170 20 0 BAADRO CN(C(=O)[C@H]1CN(C)C(=O)N1)[C@H]1CC[NH2+]C1 ZINC000662415244 412157030 /nfs/dbraw/zinc/15/70/30/412157030.db2.gz NOBUFQXJNMUBHL-JGVFFNPUSA-N 1 0 226.280 -1.170 20 0 BAADRO CN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@@H]1CC[NH2+]C1 ZINC000662415245 412156713 /nfs/dbraw/zinc/15/67/13/412156713.db2.gz NOBUFQXJNMUBHL-SFYZADRCSA-N 1 0 226.280 -1.170 20 0 BAADRO CN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@H]1CC[NH2+]C1 ZINC000662415246 412156832 /nfs/dbraw/zinc/15/68/32/412156832.db2.gz NOBUFQXJNMUBHL-YUMQZZPRSA-N 1 0 226.280 -1.170 20 0 BAADRO C[C@@H]1CN(C(=O)C2(n3cnnn3)CC2)CC[NH2+]1 ZINC000662416847 412158083 /nfs/dbraw/zinc/15/80/83/412158083.db2.gz CAJMIHNFRZLHGU-MRVPVSSYSA-N 1 0 236.279 -1.018 20 0 BAADRO C[C@H]1CN(C(=O)C2(n3cnnn3)CC2)CC[NH2+]1 ZINC000662416849 412157932 /nfs/dbraw/zinc/15/79/32/412157932.db2.gz CAJMIHNFRZLHGU-QMMMGPOBSA-N 1 0 236.279 -1.018 20 0 BAADRO C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC000662417673 412158891 /nfs/dbraw/zinc/15/88/91/412158891.db2.gz INSYMWCDTJUOLQ-BQBZGAKWSA-N 1 0 214.269 -1.184 20 0 BAADRO C[C@@H](C[NH3+])N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC000662417674 412158421 /nfs/dbraw/zinc/15/84/21/412158421.db2.gz INSYMWCDTJUOLQ-NKWVEPMBSA-N 1 0 214.269 -1.184 20 0 BAADRO C[C@H](C[NH3+])N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC000662417675 412158385 /nfs/dbraw/zinc/15/83/85/412158385.db2.gz INSYMWCDTJUOLQ-RNFRBKRXSA-N 1 0 214.269 -1.184 20 0 BAADRO C[C@H](C[NH3+])N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC000662417676 412158973 /nfs/dbraw/zinc/15/89/73/412158973.db2.gz INSYMWCDTJUOLQ-RQJHMYQMSA-N 1 0 214.269 -1.184 20 0 BAADRO C[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)CC[NH2+]1 ZINC000662417698 412158138 /nfs/dbraw/zinc/15/81/38/412158138.db2.gz JCWFKSMAYLPAFY-HTQZYQBOSA-N 1 0 226.280 -1.170 20 0 BAADRO C[C@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)CC[NH2+]1 ZINC000662417699 412158324 /nfs/dbraw/zinc/15/83/24/412158324.db2.gz JCWFKSMAYLPAFY-JGVFFNPUSA-N 1 0 226.280 -1.170 20 0 BAADRO C[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)CC[NH2+]1 ZINC000662417700 412159033 /nfs/dbraw/zinc/15/90/33/412159033.db2.gz JCWFKSMAYLPAFY-SFYZADRCSA-N 1 0 226.280 -1.170 20 0 BAADRO C[C@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)CC[NH2+]1 ZINC000662417701 412158859 /nfs/dbraw/zinc/15/88/59/412158859.db2.gz JCWFKSMAYLPAFY-YUMQZZPRSA-N 1 0 226.280 -1.170 20 0 BAADRO CN(CCC[NH3+])C(=O)[C@H]1CN(C)C(=O)N1 ZINC000662420036 412161535 /nfs/dbraw/zinc/16/15/35/412161535.db2.gz BZEQQLUCOKXHBG-SSDOTTSWSA-N 1 0 214.269 -1.183 20 0 BAADRO CN(CCC[NH3+])C(=O)[C@@H]1CN(C)C(=O)N1 ZINC000662420037 412161895 /nfs/dbraw/zinc/16/18/95/412161895.db2.gz BZEQQLUCOKXHBG-ZETCQYMHSA-N 1 0 214.269 -1.183 20 0 BAADRO CN1C[C@H](C(=O)N[C@H](C[NH3+])C2CC2)NC1=O ZINC000662421789 412161076 /nfs/dbraw/zinc/16/10/76/412161076.db2.gz OVODTXPCXYLNPK-HTQZYQBOSA-N 1 0 226.280 -1.137 20 0 BAADRO CN1C[C@H](C(=O)N[C@@H](C[NH3+])C2CC2)NC1=O ZINC000662421790 412161970 /nfs/dbraw/zinc/16/19/70/412161970.db2.gz OVODTXPCXYLNPK-JGVFFNPUSA-N 1 0 226.280 -1.137 20 0 BAADRO CN1C[C@@H](C(=O)N[C@H](C[NH3+])C2CC2)NC1=O ZINC000662421791 412161258 /nfs/dbraw/zinc/16/12/58/412161258.db2.gz OVODTXPCXYLNPK-SFYZADRCSA-N 1 0 226.280 -1.137 20 0 BAADRO CN1C[C@@H](C(=O)N[C@@H](C[NH3+])C2CC2)NC1=O ZINC000662421792 412161509 /nfs/dbraw/zinc/16/15/09/412161509.db2.gz OVODTXPCXYLNPK-YUMQZZPRSA-N 1 0 226.280 -1.137 20 0 BAADRO CN1C[C@@H](C(=O)NCC(C)(C)[NH3+])NC1=O ZINC000662424802 412164505 /nfs/dbraw/zinc/16/45/05/412164505.db2.gz ZZGKSPWPGATVSE-LURJTMIESA-N 1 0 214.269 -1.137 20 0 BAADRO CN1C[C@H](C(=O)NCC(C)(C)[NH3+])NC1=O ZINC000662424803 412164287 /nfs/dbraw/zinc/16/42/87/412164287.db2.gz ZZGKSPWPGATVSE-ZCFIWIBFSA-N 1 0 214.269 -1.137 20 0 BAADRO CN1C[C@H](C(=O)N2CCC[C@@H]2C[NH3+])NC1=O ZINC000662425510 409709386 /nfs/dbraw/zinc/70/93/86/409709386.db2.gz IAJXBXUOVODYSR-HTQZYQBOSA-N 1 0 226.280 -1.040 20 0 BAADRO CN1C[C@@H](C(=O)N2CCC[C@@H]2C[NH3+])NC1=O ZINC000662425512 409708296 /nfs/dbraw/zinc/70/82/96/409708296.db2.gz IAJXBXUOVODYSR-SFYZADRCSA-N 1 0 226.280 -1.040 20 0 BAADRO CC(C)[NH2+]CC(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000662426927 412165287 /nfs/dbraw/zinc/16/52/87/412165287.db2.gz HTZAZLHKDUBYPW-MRVPVSSYSA-N 1 0 229.280 -1.303 20 0 BAADRO CC(C)[NH2+]CC(=O)N1CCO[C@H](C(N)=O)C1 ZINC000662426928 412165100 /nfs/dbraw/zinc/16/51/00/412165100.db2.gz HTZAZLHKDUBYPW-QMMMGPOBSA-N 1 0 229.280 -1.303 20 0 BAADRO NC(=O)[C@H]1CN(C(=O)[C@H]2CCC[C@H]2[NH3+])CCO1 ZINC000662427171 412165293 /nfs/dbraw/zinc/16/52/93/412165293.db2.gz KSXGSSXYSARNEQ-DJLDLDEBSA-N 1 0 241.291 -1.174 20 0 BAADRO CC[C@@H]([NH2+]C)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000662427433 409709593 /nfs/dbraw/zinc/70/95/93/409709593.db2.gz PYQRDYRMQWHBRL-HTQZYQBOSA-N 1 0 229.280 -1.303 20 0 BAADRO CC[C@H]([NH2+]C)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000662427434 409708312 /nfs/dbraw/zinc/70/83/12/409708312.db2.gz PYQRDYRMQWHBRL-JGVFFNPUSA-N 1 0 229.280 -1.303 20 0 BAADRO CC[C@@H]([NH2+]C)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000662427435 409708547 /nfs/dbraw/zinc/70/85/47/409708547.db2.gz PYQRDYRMQWHBRL-SFYZADRCSA-N 1 0 229.280 -1.303 20 0 BAADRO CC[C@H]([NH2+]C)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000662427436 409710172 /nfs/dbraw/zinc/71/01/72/409710172.db2.gz PYQRDYRMQWHBRL-YUMQZZPRSA-N 1 0 229.280 -1.303 20 0 BAADRO C[C@@H]1CN(C(=O)C2(O)C[NH2+]C2)C[C@H](C)O1 ZINC000662429156 412161422 /nfs/dbraw/zinc/16/14/22/412161422.db2.gz JLTAJSSPHGDVSY-OCAPTIKFSA-N 1 0 214.265 -1.044 20 0 BAADRO COC[C@@H](OC)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000662430477 412168889 /nfs/dbraw/zinc/16/88/89/412168889.db2.gz YGJNUNBRMQDOJY-NXEZZACHSA-N 1 0 245.323 -1.251 20 0 BAADRO COC[C@H](OC)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000662430478 412167878 /nfs/dbraw/zinc/16/78/78/412167878.db2.gz YGJNUNBRMQDOJY-UWVGGRQHSA-N 1 0 245.323 -1.251 20 0 BAADRO COC[C@@H](OC)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000662430479 412168917 /nfs/dbraw/zinc/16/89/17/412168917.db2.gz YGJNUNBRMQDOJY-VHSXEESVSA-N 1 0 245.323 -1.251 20 0 BAADRO COC[C@H](OC)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000662430480 412168012 /nfs/dbraw/zinc/16/80/12/412168012.db2.gz YGJNUNBRMQDOJY-ZJUUUORDSA-N 1 0 245.323 -1.251 20 0 BAADRO O=C(NC[C@H]1CCCO1)C1(O)C[NH2+]C1 ZINC000662431311 412169041 /nfs/dbraw/zinc/16/90/41/412169041.db2.gz FIFQMACZVKLSPL-SSDOTTSWSA-N 1 0 200.238 -1.384 20 0 BAADRO O=C(NC[C@@H]1CCCO1)C1(O)C[NH2+]C1 ZINC000662431312 412168645 /nfs/dbraw/zinc/16/86/45/412168645.db2.gz FIFQMACZVKLSPL-ZETCQYMHSA-N 1 0 200.238 -1.384 20 0 BAADRO O=C(NCCCN1CCCC1=O)C1(O)C[NH2+]C1 ZINC000662433589 412172119 /nfs/dbraw/zinc/17/21/19/412172119.db2.gz KXPFRMVCXPWYBO-UHFFFAOYSA-N 1 0 241.291 -1.551 20 0 BAADRO COCCN(CCOC)C(=O)C1(O)C[NH2+]C1 ZINC000662434541 412171278 /nfs/dbraw/zinc/17/12/78/412171278.db2.gz SWOAHNFBHZQHJW-UHFFFAOYSA-N 1 0 232.280 -1.558 20 0 BAADRO CCOCCCNC(=O)C1(O)C[NH2+]C1 ZINC000662435670 412172946 /nfs/dbraw/zinc/17/29/46/412172946.db2.gz DXVYNKIHNPGMAX-UHFFFAOYSA-N 1 0 202.254 -1.137 20 0 BAADRO CC(C)OC[C@H]([NH3+])C(=O)N1CCNC(=O)C1 ZINC000662442088 412176075 /nfs/dbraw/zinc/17/60/75/412176075.db2.gz PRVZDAOEQJQLQC-QMMMGPOBSA-N 1 0 229.280 -1.303 20 0 BAADRO CCN(CC)C(=O)CN(C)C(=O)C1(O)C[NH2+]C1 ZINC000662446502 412178183 /nfs/dbraw/zinc/17/81/83/412178183.db2.gz FEXPXQKNTTWRIK-UHFFFAOYSA-N 1 0 243.307 -1.353 20 0 BAADRO NC(=O)c1ccc(CNC(=O)C2(O)C[NH2+]C2)cc1 ZINC000662447725 412178612 /nfs/dbraw/zinc/17/86/12/412178612.db2.gz DZLCOSNASBTRDV-UHFFFAOYSA-N 1 0 249.270 -1.264 20 0 BAADRO CC(C)C(=O)NCCNC(=O)C1(O)C[NH2+]C1 ZINC000662448049 412178530 /nfs/dbraw/zinc/17/85/30/412178530.db2.gz FTCTYABIGCIVEU-UHFFFAOYSA-N 1 0 229.280 -1.791 20 0 BAADRO O=C(NCCNC(=O)C1(O)C[NH2+]C1)C1CC1 ZINC000662448110 412176996 /nfs/dbraw/zinc/17/69/96/412176996.db2.gz IKFQFNBERIGWMB-UHFFFAOYSA-N 1 0 227.264 -2.037 20 0 BAADRO CN(C)C(=O)CN(C)C(=O)C1(O)C[NH2+]C1 ZINC000662449005 412177630 /nfs/dbraw/zinc/17/76/30/412177630.db2.gz SIYDWOVBOUBHDA-UHFFFAOYSA-N 1 0 215.253 -2.133 20 0 BAADRO CN(CC(=O)NC1CC1)C(=O)C1(O)C[NH2+]C1 ZINC000662450859 412179338 /nfs/dbraw/zinc/17/93/38/412179338.db2.gz HEJHRDSOHOVGRH-UHFFFAOYSA-N 1 0 227.264 -1.942 20 0 BAADRO CCNC(=O)[C@H](C)NC(=O)C1(O)C[NH2+]C1 ZINC000662451043 412180119 /nfs/dbraw/zinc/18/01/19/412180119.db2.gz IJMGABYDRJRFDO-LURJTMIESA-N 1 0 215.253 -2.039 20 0 BAADRO CCNC(=O)[C@@H](C)NC(=O)C1(O)C[NH2+]C1 ZINC000662451051 412179876 /nfs/dbraw/zinc/17/98/76/412179876.db2.gz IJMGABYDRJRFDO-ZCFIWIBFSA-N 1 0 215.253 -2.039 20 0 BAADRO CC(C)NC(=O)CN(C)C(=O)C1(O)C[NH2+]C1 ZINC000662451590 412179812 /nfs/dbraw/zinc/17/98/12/412179812.db2.gz LTLXITYPDFDOHE-UHFFFAOYSA-N 1 0 229.280 -1.696 20 0 BAADRO CCCNC(=O)CNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662452121 412180283 /nfs/dbraw/zinc/18/02/83/412180283.db2.gz HMTHUXIJAOOSDM-BDAKNGLRSA-N 1 0 243.307 -1.007 20 0 BAADRO CCCNC(=O)CNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662452122 412179737 /nfs/dbraw/zinc/17/97/37/412179737.db2.gz HMTHUXIJAOOSDM-DTWKUNHWSA-N 1 0 243.307 -1.007 20 0 BAADRO CCCNC(=O)CNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662452123 412180245 /nfs/dbraw/zinc/18/02/45/412180245.db2.gz HMTHUXIJAOOSDM-IUCAKERBSA-N 1 0 243.307 -1.007 20 0 BAADRO CCCNC(=O)CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662452124 412179480 /nfs/dbraw/zinc/17/94/80/412179480.db2.gz HMTHUXIJAOOSDM-RKDXNWHRSA-N 1 0 243.307 -1.007 20 0 BAADRO CCCNC(=O)CNC(=O)C1(O)C[NH2+]C1 ZINC000662452549 409725224 /nfs/dbraw/zinc/72/52/24/409725224.db2.gz MHOOENUMYDIUGH-UHFFFAOYSA-N 1 0 215.253 -2.037 20 0 BAADRO CC(C)NC(=O)CNC(=O)C1(O)C[NH2+]C1 ZINC000662453667 412179402 /nfs/dbraw/zinc/17/94/02/412179402.db2.gz VQAGMNUKJALJSI-UHFFFAOYSA-N 1 0 215.253 -2.039 20 0 BAADRO CN(CC(=O)NC(C)(C)C)C(=O)C1(O)C[NH2+]C1 ZINC000662453918 409725512 /nfs/dbraw/zinc/72/55/12/409725512.db2.gz YZHWUJJEMBCVRM-UHFFFAOYSA-N 1 0 243.307 -1.306 20 0 BAADRO COCCOCCCNC(=O)C1(O)C[NH2+]C1 ZINC000662454119 412181652 /nfs/dbraw/zinc/18/16/52/412181652.db2.gz JFSAUIXTAAYCQW-UHFFFAOYSA-N 1 0 232.280 -1.510 20 0 BAADRO COCCNC(=O)CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662455674 412181927 /nfs/dbraw/zinc/18/19/27/412181927.db2.gz NWLRQDFHFWWGOB-ZKCHVHJHSA-N 1 0 229.280 -1.398 20 0 BAADRO CN(CC(=O)N1CCCC1)C(=O)C1(O)C[NH2+]C1 ZINC000662457273 412181388 /nfs/dbraw/zinc/18/13/88/412181388.db2.gz KXCQZIXYBQOBDQ-UHFFFAOYSA-N 1 0 241.291 -1.599 20 0 BAADRO COC1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662457969 412181093 /nfs/dbraw/zinc/18/10/93/412181093.db2.gz OFTRNJNFZVMBFT-UHFFFAOYSA-N 1 0 214.265 -1.042 20 0 BAADRO C[C@@H]1CN(C(=O)C2(O)C[NH2+]C2)CCO1 ZINC000662458857 412181971 /nfs/dbraw/zinc/18/19/71/412181971.db2.gz SIEQPGQGDXRHIK-SSDOTTSWSA-N 1 0 200.238 -1.432 20 0 BAADRO C[C@H]1CN(C(=O)C2(O)C[NH2+]C2)CCO1 ZINC000662458858 412181849 /nfs/dbraw/zinc/18/18/49/412181849.db2.gz SIEQPGQGDXRHIK-ZETCQYMHSA-N 1 0 200.238 -1.432 20 0 BAADRO CC(C)NC(=O)CCNC(=O)C1(O)C[NH2+]C1 ZINC000662463789 412183556 /nfs/dbraw/zinc/18/35/56/412183556.db2.gz HWQADMXCUCJVCF-UHFFFAOYSA-N 1 0 229.280 -1.648 20 0 BAADRO O=C(N1CCSCC1)C1(O)C[NH2+]C1 ZINC000662465004 412182678 /nfs/dbraw/zinc/18/26/78/412182678.db2.gz FYHZEJNJGXIQGI-UHFFFAOYSA-N 1 0 202.279 -1.104 20 0 BAADRO CS(=O)(=O)NCCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662465148 412184171 /nfs/dbraw/zinc/18/41/71/412184171.db2.gz MWCBONIMBVJCHF-LJGSYFOKSA-N 1 0 235.309 -1.611 20 0 BAADRO CC[C@@H]1CN(C(=O)C2(O)C[NH2+]C2)CCO1 ZINC000662465239 412185085 /nfs/dbraw/zinc/18/50/85/412185085.db2.gz WDKVYKWZQIZSBR-MRVPVSSYSA-N 1 0 214.265 -1.042 20 0 BAADRO CC[C@H]1CN(C(=O)C2(O)C[NH2+]C2)CCO1 ZINC000662465240 412184722 /nfs/dbraw/zinc/18/47/22/412184722.db2.gz WDKVYKWZQIZSBR-QMMMGPOBSA-N 1 0 214.265 -1.042 20 0 BAADRO CC[C@H](COC)NC(=O)C1(O)C[NH2+]C1 ZINC000662469045 412187118 /nfs/dbraw/zinc/18/71/18/412187118.db2.gz KSVRSCMSARTGGD-SSDOTTSWSA-N 1 0 202.254 -1.138 20 0 BAADRO CC[C@@H](COC)NC(=O)C1(O)C[NH2+]C1 ZINC000662469049 412186873 /nfs/dbraw/zinc/18/68/73/412186873.db2.gz KSVRSCMSARTGGD-ZETCQYMHSA-N 1 0 202.254 -1.138 20 0 BAADRO CN(C[C@@H]1CCCO1)C(=O)C1(O)C[NH2+]C1 ZINC000662469726 412187082 /nfs/dbraw/zinc/18/70/82/412187082.db2.gz GRCQHACAIFCIGO-QMMMGPOBSA-N 1 0 214.265 -1.042 20 0 BAADRO O=C(N[C@@H]1CCCCNC1=O)C1(O)C[NH2+]C1 ZINC000662470480 412186263 /nfs/dbraw/zinc/18/62/63/412186263.db2.gz SENNFGNGZMIAET-SSDOTTSWSA-N 1 0 227.264 -1.894 20 0 BAADRO O=C(N[C@H]1CCCCNC1=O)C1(O)C[NH2+]C1 ZINC000662470481 412186245 /nfs/dbraw/zinc/18/62/45/412186245.db2.gz SENNFGNGZMIAET-ZETCQYMHSA-N 1 0 227.264 -1.894 20 0 BAADRO O=C(NCCCn1cccn1)C1(O)C[NH2+]C1 ZINC000662472229 412187546 /nfs/dbraw/zinc/18/75/46/412187546.db2.gz KSWWXCWFQMYCGI-UHFFFAOYSA-N 1 0 224.264 -1.276 20 0 BAADRO CCN(CC(=O)N(C)C)C(=O)C1(O)C[NH2+]C1 ZINC000662482869 412191440 /nfs/dbraw/zinc/19/14/40/412191440.db2.gz PKZFDPHHBHFGDJ-UHFFFAOYSA-N 1 0 229.280 -1.743 20 0 BAADRO NC(=O)c1cccc(CNC(=O)C2(O)C[NH2+]C2)c1 ZINC000662482874 412190408 /nfs/dbraw/zinc/19/04/08/412190408.db2.gz PNHSCOMFHLNUIE-UHFFFAOYSA-N 1 0 249.270 -1.264 20 0 BAADRO O=C(CNC(=O)C1(O)C[NH2+]C1)N1CCCCC1 ZINC000662484886 412190608 /nfs/dbraw/zinc/19/06/08/412190608.db2.gz LVGDWWYXTJINCZ-UHFFFAOYSA-N 1 0 241.291 -1.551 20 0 BAADRO COCCCCNC(=O)C1(O)C[NH2+]C1 ZINC000662486549 412190863 /nfs/dbraw/zinc/19/08/63/412190863.db2.gz LMSIWNVDXACBQN-UHFFFAOYSA-N 1 0 202.254 -1.137 20 0 BAADRO CCS(=O)(=O)NCCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662488355 409733001 /nfs/dbraw/zinc/73/30/01/409733001.db2.gz OJAVZKVHIGUVRY-ZKCHVHJHSA-N 1 0 249.336 -1.221 20 0 BAADRO Cc1nn(C)c(C)c1CNC(=O)C1(O)C[NH2+]C1 ZINC000662490093 412192103 /nfs/dbraw/zinc/19/21/03/412192103.db2.gz JWURKCNAKCAHLF-UHFFFAOYSA-N 1 0 238.291 -1.013 20 0 BAADRO O=C(NCC1CCOCC1)C1(O)C[NH2+]C1 ZINC000662491129 412194026 /nfs/dbraw/zinc/19/40/26/412194026.db2.gz ZRQNJNFQUWJFCH-UHFFFAOYSA-N 1 0 214.265 -1.137 20 0 BAADRO CS(=O)(=O)NCCCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662491378 412193963 /nfs/dbraw/zinc/19/39/63/412193963.db2.gz RAEOKGNMUUVQOP-ZKCHVHJHSA-N 1 0 249.336 -1.221 20 0 BAADRO CCNC(=O)CN(CC)C(=O)C1(O)C[NH2+]C1 ZINC000662492402 412194093 /nfs/dbraw/zinc/19/40/93/412194093.db2.gz JEDBFHKKQPRHLO-UHFFFAOYSA-N 1 0 229.280 -1.695 20 0 BAADRO O=C(N[C@@H]1CCc2n[nH]cc2C1)C1(O)C[NH2+]C1 ZINC000662494402 487615586 /nfs/dbraw/zinc/61/55/86/487615586.db2.gz YXKYEBVWNMCAII-MRVPVSSYSA-N 1 0 236.275 -1.283 20 0 BAADRO O=C(N[C@H]1CCc2n[nH]cc2C1)C1(O)C[NH2+]C1 ZINC000662494403 487614993 /nfs/dbraw/zinc/61/49/93/487614993.db2.gz YXKYEBVWNMCAII-QMMMGPOBSA-N 1 0 236.275 -1.283 20 0 BAADRO COCCn1cc(NC(=O)C2(O)C[NH2+]C2)cn1 ZINC000662495014 487615102 /nfs/dbraw/zinc/61/51/02/487615102.db2.gz KVMMRYSAOFOTLZ-UHFFFAOYSA-N 1 0 240.263 -1.198 20 0 BAADRO O=C(N[C@@H]1CCC[C@@H](O)C1)C1(O)C[NH2+]C1 ZINC000662495032 412193667 /nfs/dbraw/zinc/19/36/67/412193667.db2.gz GGTQAHXPYXQMFJ-HTQZYQBOSA-N 1 0 214.265 -1.260 20 0 BAADRO O=C(N[C@H]1CCC[C@@H](O)C1)C1(O)C[NH2+]C1 ZINC000662495069 412194067 /nfs/dbraw/zinc/19/40/67/412194067.db2.gz GGTQAHXPYXQMFJ-JGVFFNPUSA-N 1 0 214.265 -1.260 20 0 BAADRO O=C(N[C@@H]1CCC[C@H](O)C1)C1(O)C[NH2+]C1 ZINC000662495070 412194021 /nfs/dbraw/zinc/19/40/21/412194021.db2.gz GGTQAHXPYXQMFJ-SFYZADRCSA-N 1 0 214.265 -1.260 20 0 BAADRO O=C(N[C@H]1CCC[C@H](O)C1)C1(O)C[NH2+]C1 ZINC000662495071 412194537 /nfs/dbraw/zinc/19/45/37/412194537.db2.gz GGTQAHXPYXQMFJ-YUMQZZPRSA-N 1 0 214.265 -1.260 20 0 BAADRO O=C(CCCNC(=O)C1(O)C[NH2+]C1)NC1CC1 ZINC000662495836 412195711 /nfs/dbraw/zinc/19/57/11/412195711.db2.gz YPLATYZGHPYNDL-UHFFFAOYSA-N 1 0 241.291 -1.504 20 0 BAADRO CO[C@@H]1CCCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662499690 412196634 /nfs/dbraw/zinc/19/66/34/412196634.db2.gz WJQYAAASEBUPGO-MRVPVSSYSA-N 1 0 214.265 -1.042 20 0 BAADRO CO[C@H]1CCCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662499691 412196380 /nfs/dbraw/zinc/19/63/80/412196380.db2.gz WJQYAAASEBUPGO-QMMMGPOBSA-N 1 0 214.265 -1.042 20 0 BAADRO COCCOCCNC(=O)C1(O)C[NH2+]C1 ZINC000662501807 412196600 /nfs/dbraw/zinc/19/66/00/412196600.db2.gz FRMOCKCTYLUVIH-UHFFFAOYSA-N 1 0 218.253 -1.900 20 0 BAADRO CN(C)C(=O)CCNC(=O)C1(O)C[NH2+]C1 ZINC000662501915 412198027 /nfs/dbraw/zinc/19/80/27/412198027.db2.gz HASLQBHARPWVLI-UHFFFAOYSA-N 1 0 215.253 -2.085 20 0 BAADRO CC1(C)CN(C(=O)C2(O)C[NH2+]C2)CCO1 ZINC000662503761 409739728 /nfs/dbraw/zinc/73/97/28/409739728.db2.gz WVMCVWIOKZZXBF-UHFFFAOYSA-N 1 0 214.265 -1.042 20 0 BAADRO O=C(N1CCCOCC1)C1(O)C[NH2+]C1 ZINC000662506718 412196737 /nfs/dbraw/zinc/19/67/37/412196737.db2.gz DVXQRBFCZMOGCV-UHFFFAOYSA-N 1 0 200.238 -1.430 20 0 BAADRO C[C@H](CNC(=O)C1(O)C[NH2+]C1)Cn1cccn1 ZINC000662508314 412198990 /nfs/dbraw/zinc/19/89/90/412198990.db2.gz YVSCMERYMHLSFB-SECBINFHSA-N 1 0 238.291 -1.030 20 0 BAADRO C[C@@H](CNC(=O)C1(O)C[NH2+]C1)Cn1cccn1 ZINC000662508315 412199301 /nfs/dbraw/zinc/19/93/01/412199301.db2.gz YVSCMERYMHLSFB-VIFPVBQESA-N 1 0 238.291 -1.030 20 0 BAADRO CC(C)(CNC(=O)C1(O)C[NH2+]C1)C(N)=O ZINC000662511908 412200186 /nfs/dbraw/zinc/20/01/86/412200186.db2.gz ZWFDCGCOSYYMPV-UHFFFAOYSA-N 1 0 215.253 -2.052 20 0 BAADRO CC[C@@H]([NH2+]C)C(=O)NCC(=O)N1CCOCC1 ZINC000662511937 412200915 /nfs/dbraw/zinc/20/09/15/412200915.db2.gz MUPPCCCCTJDUCL-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO CC[C@H]([NH2+]C)C(=O)NCC(=O)N1CCOCC1 ZINC000662511938 412200876 /nfs/dbraw/zinc/20/08/76/412200876.db2.gz MUPPCCCCTJDUCL-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO CC[C@@H](C)NC(=O)CCNC(=O)C1(O)C[NH2+]C1 ZINC000662512964 412200658 /nfs/dbraw/zinc/20/06/58/412200658.db2.gz OFKWYRLTEBYGSE-MRVPVSSYSA-N 1 0 243.307 -1.258 20 0 BAADRO CC[C@H](C)NC(=O)CCNC(=O)C1(O)C[NH2+]C1 ZINC000662512965 412200837 /nfs/dbraw/zinc/20/08/37/412200837.db2.gz OFKWYRLTEBYGSE-QMMMGPOBSA-N 1 0 243.307 -1.258 20 0 BAADRO O=C(NC[C@H]1CCCOC1)C1(O)C[NH2+]C1 ZINC000662514255 412201349 /nfs/dbraw/zinc/20/13/49/412201349.db2.gz HZPNHEBPWRCLOT-MRVPVSSYSA-N 1 0 214.265 -1.137 20 0 BAADRO O=C(NC[C@@H]1CCCOC1)C1(O)C[NH2+]C1 ZINC000662514256 412201326 /nfs/dbraw/zinc/20/13/26/412201326.db2.gz HZPNHEBPWRCLOT-QMMMGPOBSA-N 1 0 214.265 -1.137 20 0 BAADRO CCNC(=O)CN(C)C(=O)C1(O)C[NH2+]C1 ZINC000662515026 412201810 /nfs/dbraw/zinc/20/18/10/412201810.db2.gz ROWXASSMLFMFIH-UHFFFAOYSA-N 1 0 215.253 -2.085 20 0 BAADRO CCNC(=O)CN(C)C(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662515139 487620870 /nfs/dbraw/zinc/62/08/70/487620870.db2.gz UMPZLYLRTDCSRQ-BDAKNGLRSA-N 1 0 243.307 -1.055 20 0 BAADRO CCNC(=O)CN(C)C(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662515142 487620841 /nfs/dbraw/zinc/62/08/41/487620841.db2.gz UMPZLYLRTDCSRQ-DTWKUNHWSA-N 1 0 243.307 -1.055 20 0 BAADRO CCNC(=O)CN(C)C(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662515144 487620918 /nfs/dbraw/zinc/62/09/18/487620918.db2.gz UMPZLYLRTDCSRQ-IUCAKERBSA-N 1 0 243.307 -1.055 20 0 BAADRO CCNC(=O)CN(C)C(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662515145 487620990 /nfs/dbraw/zinc/62/09/90/487620990.db2.gz UMPZLYLRTDCSRQ-RKDXNWHRSA-N 1 0 243.307 -1.055 20 0 BAADRO C[C@H](CN1CCCC1=O)NC(=O)C1(O)C[NH2+]C1 ZINC000662519729 412202886 /nfs/dbraw/zinc/20/28/86/412202886.db2.gz YFGVNONBPOSYEZ-MRVPVSSYSA-N 1 0 241.291 -1.552 20 0 BAADRO C[C@@H](CN1CCCC1=O)NC(=O)C1(O)C[NH2+]C1 ZINC000662519730 409747244 /nfs/dbraw/zinc/74/72/44/409747244.db2.gz YFGVNONBPOSYEZ-QMMMGPOBSA-N 1 0 241.291 -1.552 20 0 BAADRO COCCCN(CCOC)C(=O)C1(O)C[NH2+]C1 ZINC000662523212 412204431 /nfs/dbraw/zinc/20/44/31/412204431.db2.gz OVMIAYGBSJORBR-UHFFFAOYSA-N 1 0 246.307 -1.168 20 0 BAADRO CCCNC(=O)CCNC(=O)C1(O)C[NH2+]C1 ZINC000662526102 412205514 /nfs/dbraw/zinc/20/55/14/412205514.db2.gz RHDQLIDPRNOFJG-UHFFFAOYSA-N 1 0 229.280 -1.647 20 0 BAADRO C[C@@H](NC(=O)C1(O)C[NH2+]C1)C(=O)NC(C)(C)C ZINC000662529029 412205183 /nfs/dbraw/zinc/20/51/83/412205183.db2.gz MFDDOOKUGQRYGB-SSDOTTSWSA-N 1 0 243.307 -1.260 20 0 BAADRO C[C@H](NC(=O)C1(O)C[NH2+]C1)C(=O)NC(C)(C)C ZINC000662529030 412205971 /nfs/dbraw/zinc/20/59/71/412205971.db2.gz MFDDOOKUGQRYGB-ZETCQYMHSA-N 1 0 243.307 -1.260 20 0 BAADRO CN(C)C(=O)CCCNC(=O)C1(O)C[NH2+]C1 ZINC000662529442 412206186 /nfs/dbraw/zinc/20/61/86/412206186.db2.gz WYHRZTALQRBMCH-UHFFFAOYSA-N 1 0 229.280 -1.695 20 0 BAADRO CC(C)OC[C@H]([NH3+])C(=O)NCCn1ncnn1 ZINC000662532671 412207562 /nfs/dbraw/zinc/20/75/62/412207562.db2.gz CXBUQSBZFFQICF-QMMMGPOBSA-N 1 0 242.283 -1.458 20 0 BAADRO CC[C@@H]([NH2+]C)C(=O)NCCn1ncnn1 ZINC000662532780 412206860 /nfs/dbraw/zinc/20/68/60/412206860.db2.gz GAVMZIDZLGXBOF-SSDOTTSWSA-N 1 0 212.257 -1.213 20 0 BAADRO CC[C@H]([NH2+]C)C(=O)NCCn1ncnn1 ZINC000662532785 412206657 /nfs/dbraw/zinc/20/66/57/412206657.db2.gz GAVMZIDZLGXBOF-ZETCQYMHSA-N 1 0 212.257 -1.213 20 0 BAADRO COC[C@H](C)CNC(=O)C1(O)C[NH2+]C1 ZINC000662534268 412207459 /nfs/dbraw/zinc/20/74/59/412207459.db2.gz GMQKPFADNPBTPG-SSDOTTSWSA-N 1 0 202.254 -1.281 20 0 BAADRO COC[C@@H](C)CNC(=O)C1(O)C[NH2+]C1 ZINC000662534269 412207532 /nfs/dbraw/zinc/20/75/32/412207532.db2.gz GMQKPFADNPBTPG-ZETCQYMHSA-N 1 0 202.254 -1.281 20 0 BAADRO CNC(=O)[C@H]1CN(C(=O)C[NH2+]C(C)C)CCO1 ZINC000662538233 412208554 /nfs/dbraw/zinc/20/85/54/412208554.db2.gz LWLIQYVJKLBMRW-SECBINFHSA-N 1 0 243.307 -1.042 20 0 BAADRO CNC(=O)[C@@H]1CN(C(=O)C[NH2+]C(C)C)CCO1 ZINC000662538234 412208056 /nfs/dbraw/zinc/20/80/56/412208056.db2.gz LWLIQYVJKLBMRW-VIFPVBQESA-N 1 0 243.307 -1.042 20 0 BAADRO COCCCN(C)C(=O)C1(O)C[NH2+]C1 ZINC000662538271 412208843 /nfs/dbraw/zinc/20/88/43/412208843.db2.gz NBXPLCIQEPRSGN-UHFFFAOYSA-N 1 0 202.254 -1.184 20 0 BAADRO CC[C@@H]([NH2+]C)C(=O)N1CCO[C@H](C(=O)NC)C1 ZINC000662538581 412209035 /nfs/dbraw/zinc/20/90/35/412209035.db2.gz QNTHCXJMPUWWHX-BDAKNGLRSA-N 1 0 243.307 -1.042 20 0 BAADRO CC[C@H]([NH2+]C)C(=O)N1CCO[C@@H](C(=O)NC)C1 ZINC000662538582 412208439 /nfs/dbraw/zinc/20/84/39/412208439.db2.gz QNTHCXJMPUWWHX-DTWKUNHWSA-N 1 0 243.307 -1.042 20 0 BAADRO CC[C@H]([NH2+]C)C(=O)N1CCO[C@H](C(=O)NC)C1 ZINC000662538584 412208421 /nfs/dbraw/zinc/20/84/21/412208421.db2.gz QNTHCXJMPUWWHX-IUCAKERBSA-N 1 0 243.307 -1.042 20 0 BAADRO CC[C@@H]([NH2+]C)C(=O)N1CCO[C@@H](C(=O)NC)C1 ZINC000662538585 412208366 /nfs/dbraw/zinc/20/83/66/412208366.db2.gz QNTHCXJMPUWWHX-RKDXNWHRSA-N 1 0 243.307 -1.042 20 0 BAADRO O=C(NCCOC[C@H]1CCCO1)C1(O)C[NH2+]C1 ZINC000662539766 412210045 /nfs/dbraw/zinc/21/00/45/412210045.db2.gz JVQHOLBMNKXZEX-SECBINFHSA-N 1 0 244.291 -1.368 20 0 BAADRO O=C(NCCOC[C@@H]1CCCO1)C1(O)C[NH2+]C1 ZINC000662539767 412210350 /nfs/dbraw/zinc/21/03/50/412210350.db2.gz JVQHOLBMNKXZEX-VIFPVBQESA-N 1 0 244.291 -1.368 20 0 BAADRO O=C(NCCOCC1CC1)C1(O)C[NH2+]C1 ZINC000662540227 412210393 /nfs/dbraw/zinc/21/03/93/412210393.db2.gz UFFMRKVUWNMHJE-UHFFFAOYSA-N 1 0 214.265 -1.137 20 0 BAADRO CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)C1(O)C[NH2+]C1 ZINC000662542970 412209805 /nfs/dbraw/zinc/20/98/05/412209805.db2.gz QDWFIKSPMQJTAA-HTQZYQBOSA-N 1 0 243.307 -1.260 20 0 BAADRO CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C1(O)C[NH2+]C1 ZINC000662542971 412209717 /nfs/dbraw/zinc/20/97/17/412209717.db2.gz QDWFIKSPMQJTAA-JGVFFNPUSA-N 1 0 243.307 -1.260 20 0 BAADRO CC[C@@H](C)NC(=O)[C@H](C)NC(=O)C1(O)C[NH2+]C1 ZINC000662542972 412210532 /nfs/dbraw/zinc/21/05/32/412210532.db2.gz QDWFIKSPMQJTAA-SFYZADRCSA-N 1 0 243.307 -1.260 20 0 BAADRO CC[C@H](C)NC(=O)[C@H](C)NC(=O)C1(O)C[NH2+]C1 ZINC000662542973 412209879 /nfs/dbraw/zinc/20/98/79/412209879.db2.gz QDWFIKSPMQJTAA-YUMQZZPRSA-N 1 0 243.307 -1.260 20 0 BAADRO O=C(CNC(=O)C1(O)C[NH2+]C1)NC1CCCC1 ZINC000662545903 412211400 /nfs/dbraw/zinc/21/14/00/412211400.db2.gz GJRQFVXKDUZXPJ-UHFFFAOYSA-N 1 0 241.291 -1.504 20 0 BAADRO CN1C[C@H](NC(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1=O ZINC000662546351 412211703 /nfs/dbraw/zinc/21/17/03/412211703.db2.gz PKROVICKHGKKAJ-HLTSFMKQSA-N 1 0 241.291 -1.303 20 0 BAADRO CN1C[C@H](NC(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1=O ZINC000662546353 412211539 /nfs/dbraw/zinc/21/15/39/412211539.db2.gz PKROVICKHGKKAJ-HRDYMLBCSA-N 1 0 241.291 -1.303 20 0 BAADRO CN1C[C@H](NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1=O ZINC000662546354 412211065 /nfs/dbraw/zinc/21/10/65/412211065.db2.gz PKROVICKHGKKAJ-IWSPIJDZSA-N 1 0 241.291 -1.303 20 0 BAADRO CN1C[C@H](NC(=O)[C@H]2CCO[C@H]2C[NH3+])CC1=O ZINC000662546356 412211522 /nfs/dbraw/zinc/21/15/22/412211522.db2.gz PKROVICKHGKKAJ-VGMNWLOBSA-N 1 0 241.291 -1.303 20 0 BAADRO CN1C[C@@H](NC(=O)C2(O)C[NH2+]C2)CC1=O ZINC000662546392 412211739 /nfs/dbraw/zinc/21/17/39/412211739.db2.gz PVXCMZUQXFCXMY-LURJTMIESA-N 1 0 213.237 -2.332 20 0 BAADRO CN1C[C@H](NC(=O)C2(O)C[NH2+]C2)CC1=O ZINC000662546410 412211343 /nfs/dbraw/zinc/21/13/43/412211343.db2.gz PVXCMZUQXFCXMY-ZCFIWIBFSA-N 1 0 213.237 -2.332 20 0 BAADRO NC(=O)[C@@H]1CCC[C@@H](NC(=O)C2(O)C[NH2+]C2)C1 ZINC000662546752 412211301 /nfs/dbraw/zinc/21/13/01/412211301.db2.gz RSVMOPICWYZYQY-HTQZYQBOSA-N 1 0 241.291 -1.519 20 0 BAADRO NC(=O)[C@H]1CCC[C@@H](NC(=O)C2(O)C[NH2+]C2)C1 ZINC000662546755 412211473 /nfs/dbraw/zinc/21/14/73/412211473.db2.gz RSVMOPICWYZYQY-JGVFFNPUSA-N 1 0 241.291 -1.519 20 0 BAADRO NC(=O)[C@@H]1CCC[C@H](NC(=O)C2(O)C[NH2+]C2)C1 ZINC000662546757 412211564 /nfs/dbraw/zinc/21/15/64/412211564.db2.gz RSVMOPICWYZYQY-SFYZADRCSA-N 1 0 241.291 -1.519 20 0 BAADRO NC(=O)[C@H]1CCC[C@H](NC(=O)C2(O)C[NH2+]C2)C1 ZINC000662546760 412211232 /nfs/dbraw/zinc/21/12/32/412211232.db2.gz RSVMOPICWYZYQY-YUMQZZPRSA-N 1 0 241.291 -1.519 20 0 BAADRO NC(=O)[C@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)CCO1 ZINC000662550128 412212162 /nfs/dbraw/zinc/21/21/62/412212162.db2.gz BOLMALRCFPRERP-BWZBUEFSSA-N 1 0 227.264 -1.564 20 0 BAADRO NC(=O)[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)CCO1 ZINC000662550129 412212091 /nfs/dbraw/zinc/21/20/91/412212091.db2.gz BOLMALRCFPRERP-FXQIFTODSA-N 1 0 227.264 -1.564 20 0 BAADRO COCCOCCCCNC(=O)C1(O)C[NH2+]C1 ZINC000662553052 412214901 /nfs/dbraw/zinc/21/49/01/412214901.db2.gz GJWKIJIPNKJGEZ-UHFFFAOYSA-N 1 0 246.307 -1.120 20 0 BAADRO COC[C@H](OC)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000662553516 412214857 /nfs/dbraw/zinc/21/48/57/412214857.db2.gz KVEZJPCLQSYUCM-BDAKNGLRSA-N 1 0 232.280 -1.166 20 0 BAADRO COC[C@@H](OC)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000662553517 412214955 /nfs/dbraw/zinc/21/49/55/412214955.db2.gz KVEZJPCLQSYUCM-DTWKUNHWSA-N 1 0 232.280 -1.166 20 0 BAADRO COC[C@H](OC)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000662553518 412215034 /nfs/dbraw/zinc/21/50/34/412215034.db2.gz KVEZJPCLQSYUCM-IUCAKERBSA-N 1 0 232.280 -1.166 20 0 BAADRO COC[C@@H](OC)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000662553519 412215056 /nfs/dbraw/zinc/21/50/56/412215056.db2.gz KVEZJPCLQSYUCM-RKDXNWHRSA-N 1 0 232.280 -1.166 20 0 BAADRO COCC[C@@H](C)NC(=O)C1(O)C[NH2+]C1 ZINC000662553579 409753783 /nfs/dbraw/zinc/75/37/83/409753783.db2.gz JFUJWPLGQIHPGU-SSDOTTSWSA-N 1 0 202.254 -1.138 20 0 BAADRO COCC[C@H](C)NC(=O)C1(O)C[NH2+]C1 ZINC000662553580 409754386 /nfs/dbraw/zinc/75/43/86/409754386.db2.gz JFUJWPLGQIHPGU-ZETCQYMHSA-N 1 0 202.254 -1.138 20 0 BAADRO CC[C@@H](O)CCNC(=O)C1(O)C[NH2+]C1 ZINC000662556311 412216571 /nfs/dbraw/zinc/21/65/71/412216571.db2.gz PAPLQAKHPCOXPZ-SSDOTTSWSA-N 1 0 202.254 -1.402 20 0 BAADRO CC[C@H](O)CCNC(=O)C1(O)C[NH2+]C1 ZINC000662556312 412215651 /nfs/dbraw/zinc/21/56/51/412215651.db2.gz PAPLQAKHPCOXPZ-ZETCQYMHSA-N 1 0 202.254 -1.402 20 0 BAADRO CC(C)N1C[C@H](NC(=O)C2(O)C[NH2+]C2)CC1=O ZINC000662561032 412219318 /nfs/dbraw/zinc/21/93/18/412219318.db2.gz AVQIMECBXOAHOF-MRVPVSSYSA-N 1 0 241.291 -1.554 20 0 BAADRO CC(C)N1C[C@@H](NC(=O)C2(O)C[NH2+]C2)CC1=O ZINC000662561035 412218992 /nfs/dbraw/zinc/21/89/92/412218992.db2.gz AVQIMECBXOAHOF-QMMMGPOBSA-N 1 0 241.291 -1.554 20 0 BAADRO COCCn1ccc(NC(=O)C2(O)C[NH2+]C2)n1 ZINC000662561261 412219093 /nfs/dbraw/zinc/21/90/93/412219093.db2.gz ODFDDCXJUNGXAT-UHFFFAOYSA-N 1 0 240.263 -1.198 20 0 BAADRO COC[C@H](OC)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000662566499 412213580 /nfs/dbraw/zinc/21/35/80/412213580.db2.gz VNOSCYBWBTTYKN-UYXSQOIJSA-N 1 0 214.265 -1.018 20 0 BAADRO COC[C@@H](OC)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000662566500 412213943 /nfs/dbraw/zinc/21/39/43/412213943.db2.gz VNOSCYBWBTTYKN-XAVMHZPKSA-N 1 0 214.265 -1.018 20 0 BAADRO Cn1cc(CCCNC(=O)C2(O)C[NH2+]C2)cn1 ZINC000662567881 412223032 /nfs/dbraw/zinc/22/30/32/412223032.db2.gz ZUSGGAIGJDLHPG-UHFFFAOYSA-N 1 0 238.291 -1.197 20 0 BAADRO C[C@@H]1CN(C(=O)C2(O)C[NH2+]C2)CCCO1 ZINC000662569689 412223895 /nfs/dbraw/zinc/22/38/95/412223895.db2.gz SXFWCKPOQZKUJI-MRVPVSSYSA-N 1 0 214.265 -1.042 20 0 BAADRO C[C@H]1CN(C(=O)C2(O)C[NH2+]C2)CCCO1 ZINC000662569690 412224077 /nfs/dbraw/zinc/22/40/77/412224077.db2.gz SXFWCKPOQZKUJI-QMMMGPOBSA-N 1 0 214.265 -1.042 20 0 BAADRO CNC(=O)CCN(C)C(=O)C1(O)C[NH2+]C1 ZINC000662572176 412224988 /nfs/dbraw/zinc/22/49/88/412224988.db2.gz WWLQBQYWHUHEED-UHFFFAOYSA-N 1 0 215.253 -2.085 20 0 BAADRO [NH3+][C@H]1C[C@H](C(=O)N2CCS(=O)(=O)CC2)C1 ZINC000662573947 412225888 /nfs/dbraw/zinc/22/58/88/412225888.db2.gz XCIILNLWPCOZDZ-ZKCHVHJHSA-N 1 0 232.305 -1.019 20 0 BAADRO CC(C)(C)NC(=O)CCNC(=O)C1(O)C[NH2+]C1 ZINC000662575911 412226347 /nfs/dbraw/zinc/22/63/47/412226347.db2.gz WJBPNVNOLWYQAB-UHFFFAOYSA-N 1 0 243.307 -1.258 20 0 BAADRO CN(C(=O)C1(O)C[NH2+]C1)[C@@H]1CCOC1 ZINC000662577671 412227126 /nfs/dbraw/zinc/22/71/26/412227126.db2.gz CAAAWHCVDDJEFC-SSDOTTSWSA-N 1 0 200.238 -1.432 20 0 BAADRO CN(C(=O)C1(O)C[NH2+]C1)[C@H]1CCOC1 ZINC000662577673 412227304 /nfs/dbraw/zinc/22/73/04/412227304.db2.gz CAAAWHCVDDJEFC-ZETCQYMHSA-N 1 0 200.238 -1.432 20 0 BAADRO O=C(NCCOC[C@@H]1CCOC1)C1(O)C[NH2+]C1 ZINC000662581741 412228452 /nfs/dbraw/zinc/22/84/52/412228452.db2.gz IONKTYQIBMQZOJ-SECBINFHSA-N 1 0 244.291 -1.510 20 0 BAADRO O=C(NCCOC[C@H]1CCOC1)C1(O)C[NH2+]C1 ZINC000662581742 412228373 /nfs/dbraw/zinc/22/83/73/412228373.db2.gz IONKTYQIBMQZOJ-VIFPVBQESA-N 1 0 244.291 -1.510 20 0 BAADRO O=C(N[C@H]1CCNC1=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000662586458 412229744 /nfs/dbraw/zinc/22/97/44/412229744.db2.gz JRBPSIQORBALKG-LAEOZQHASA-N 1 0 239.275 -1.773 20 0 BAADRO O=C(NCC1(CO)CC1)C1(O)C[NH2+]C1 ZINC000662589693 412232411 /nfs/dbraw/zinc/23/24/11/412232411.db2.gz CJNQJLQGIFHZAF-UHFFFAOYSA-N 1 0 200.238 -1.791 20 0 BAADRO CN1CC[C@H](NC(=O)C2(O)C[NH2+]C2)C1=O ZINC000662589696 412231904 /nfs/dbraw/zinc/23/19/04/412231904.db2.gz CJXORTLWWLTIMK-LURJTMIESA-N 1 0 213.237 -2.332 20 0 BAADRO CN1CC[C@@H](NC(=O)C2(O)C[NH2+]C2)C1=O ZINC000662589698 412232241 /nfs/dbraw/zinc/23/22/41/412232241.db2.gz CJXORTLWWLTIMK-ZCFIWIBFSA-N 1 0 213.237 -2.332 20 0 BAADRO C[C@@H](NC(=O)C1(O)C[NH2+]C1)c1cnn(C)c1 ZINC000662589930 412232146 /nfs/dbraw/zinc/23/21/46/412232146.db2.gz MIEPCAHJOREVNA-SSDOTTSWSA-N 1 0 224.264 -1.068 20 0 BAADRO C[C@H](NC(=O)C1(O)C[NH2+]C1)c1cnn(C)c1 ZINC000662589931 412231783 /nfs/dbraw/zinc/23/17/83/412231783.db2.gz MIEPCAHJOREVNA-ZETCQYMHSA-N 1 0 224.264 -1.068 20 0 BAADRO Cc1cc(CNC(=O)C2(O)C[NH2+]C2)[nH]n1 ZINC000662589979 412232104 /nfs/dbraw/zinc/23/21/04/412232104.db2.gz NCBYCNOJQNTXPA-UHFFFAOYSA-N 1 0 210.237 -1.331 20 0 BAADRO CNC(=O)[C@@H]1CCCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662594367 412233529 /nfs/dbraw/zinc/23/35/29/412233529.db2.gz JLGKIPXOPKXHFQ-MRVPVSSYSA-N 1 0 241.291 -1.695 20 0 BAADRO CNC(=O)[C@H]1CCCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662594368 412233454 /nfs/dbraw/zinc/23/34/54/412233454.db2.gz JLGKIPXOPKXHFQ-QMMMGPOBSA-N 1 0 241.291 -1.695 20 0 BAADRO CC(C)[C@@H](CCO)NC(=O)C1(O)C[NH2+]C1 ZINC000662594870 409777249 /nfs/dbraw/zinc/77/72/49/409777249.db2.gz WYYJWVFGKARFCD-MRVPVSSYSA-N 1 0 216.281 -1.156 20 0 BAADRO CC(C)[C@H](CCO)NC(=O)C1(O)C[NH2+]C1 ZINC000662594871 409776112 /nfs/dbraw/zinc/77/61/12/409776112.db2.gz WYYJWVFGKARFCD-QMMMGPOBSA-N 1 0 216.281 -1.156 20 0 BAADRO CC[C@@H](C)[C@H](O)CNC(=O)C1(O)C[NH2+]C1 ZINC000662595570 487665491 /nfs/dbraw/zinc/66/54/91/487665491.db2.gz FBYHARYWWWQFGC-HTQZYQBOSA-N 1 0 216.281 -1.156 20 0 BAADRO CC[C@H](C)[C@H](O)CNC(=O)C1(O)C[NH2+]C1 ZINC000662595571 487665514 /nfs/dbraw/zinc/66/55/14/487665514.db2.gz FBYHARYWWWQFGC-JGVFFNPUSA-N 1 0 216.281 -1.156 20 0 BAADRO CC[C@@H](C)[C@@H](O)CNC(=O)C1(O)C[NH2+]C1 ZINC000662595572 487665679 /nfs/dbraw/zinc/66/56/79/487665679.db2.gz FBYHARYWWWQFGC-SFYZADRCSA-N 1 0 216.281 -1.156 20 0 BAADRO CC[C@H](C)[C@@H](O)CNC(=O)C1(O)C[NH2+]C1 ZINC000662595573 487665558 /nfs/dbraw/zinc/66/55/58/487665558.db2.gz FBYHARYWWWQFGC-YUMQZZPRSA-N 1 0 216.281 -1.156 20 0 BAADRO C[C@]1(CNC(=O)C2(O)C[NH2+]C2)CCOC1 ZINC000662596548 412234158 /nfs/dbraw/zinc/23/41/58/412234158.db2.gz RTVNOKVFZWMFBF-SECBINFHSA-N 1 0 214.265 -1.137 20 0 BAADRO C[C@@]1(CNC(=O)C2(O)C[NH2+]C2)CCOC1 ZINC000662596549 412234037 /nfs/dbraw/zinc/23/40/37/412234037.db2.gz RTVNOKVFZWMFBF-VIFPVBQESA-N 1 0 214.265 -1.137 20 0 BAADRO CCC[C@@H](O)CNC(=O)C1(O)C[NH2+]C1 ZINC000662597884 412234938 /nfs/dbraw/zinc/23/49/38/412234938.db2.gz ZZABXVKMDXRGCG-SSDOTTSWSA-N 1 0 202.254 -1.402 20 0 BAADRO CCC[C@H](O)CNC(=O)C1(O)C[NH2+]C1 ZINC000662597885 412235558 /nfs/dbraw/zinc/23/55/58/412235558.db2.gz ZZABXVKMDXRGCG-ZETCQYMHSA-N 1 0 202.254 -1.402 20 0 BAADRO CN1C[C@H](NC(=O)C2(O)C[NH2+]C2)CCC1=O ZINC000662599732 412234793 /nfs/dbraw/zinc/23/47/93/412234793.db2.gz PMTBDTPAYJVHAK-SSDOTTSWSA-N 1 0 227.264 -1.942 20 0 BAADRO CN1C[C@@H](NC(=O)C2(O)C[NH2+]C2)CCC1=O ZINC000662599733 412235564 /nfs/dbraw/zinc/23/55/64/412235564.db2.gz PMTBDTPAYJVHAK-ZETCQYMHSA-N 1 0 227.264 -1.942 20 0 BAADRO [NH3+][C@H]1C[C@H](C(=O)NCCN2C(=O)CCC2=O)C1 ZINC000662599824 412234929 /nfs/dbraw/zinc/23/49/29/412234929.db2.gz BEAGIDKJDKMDGW-ZKCHVHJHSA-N 1 0 239.275 -1.011 20 0 BAADRO CN(CC(C)(C)[NH3+])C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000662602225 412234868 /nfs/dbraw/zinc/23/48/68/412234868.db2.gz MZOHBORCSYHPBP-SSDOTTSWSA-N 1 0 249.336 -1.126 20 0 BAADRO CN(CC(C)(C)[NH3+])C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000662602226 412233361 /nfs/dbraw/zinc/23/33/61/412233361.db2.gz MZOHBORCSYHPBP-ZETCQYMHSA-N 1 0 249.336 -1.126 20 0 BAADRO CC(C)N1CC[C@@H](NC(=O)C2(O)C[NH2+]C2)C1=O ZINC000662603158 412236309 /nfs/dbraw/zinc/23/63/09/412236309.db2.gz TWJWTBKQQBECJZ-MRVPVSSYSA-N 1 0 241.291 -1.554 20 0 BAADRO CC(C)N1CC[C@H](NC(=O)C2(O)C[NH2+]C2)C1=O ZINC000662603159 412236475 /nfs/dbraw/zinc/23/64/75/412236475.db2.gz TWJWTBKQQBECJZ-QMMMGPOBSA-N 1 0 241.291 -1.554 20 0 BAADRO O=C(N1CCN(C2CC2)C(=O)C1)C1(O)C[NH2+]C1 ZINC000662603544 487666911 /nfs/dbraw/zinc/66/69/11/487666911.db2.gz XBSDDCODRAAXGN-UHFFFAOYSA-N 1 0 239.275 -1.846 20 0 BAADRO CN(CC(C)(C)[NH3+])C(=O)CN1CCNCC1=O ZINC000662606058 412237443 /nfs/dbraw/zinc/23/74/43/412237443.db2.gz XFPHEORIEHGDJC-UHFFFAOYSA-N 1 0 242.323 -1.386 20 0 BAADRO O=C(N1C[C@H]2CC[C@@H](C1)O2)C1(O)C[NH2+]C1 ZINC000662606300 412238512 /nfs/dbraw/zinc/23/85/12/412238512.db2.gz NCTXLPZAFWVNRU-OCAPTIKFSA-N 1 0 212.249 -1.290 20 0 BAADRO CN(CC(C)(C)[NH3+])C(=O)Cn1ncn(C)c1=O ZINC000662606677 412238332 /nfs/dbraw/zinc/23/83/32/412238332.db2.gz VQWYRICVOHYFII-UHFFFAOYSA-N 1 0 241.295 -1.223 20 0 BAADRO NC(=O)C1(CNC(=O)C2(O)C[NH2+]C2)CCCC1 ZINC000662609545 412239790 /nfs/dbraw/zinc/23/97/90/412239790.db2.gz YJCDSMORNMKSOW-UHFFFAOYSA-N 1 0 241.291 -1.517 20 0 BAADRO O=C(N[C@@H]1CC(=O)N(C2CC2)C1)C1(O)C[NH2+]C1 ZINC000662609585 409783386 /nfs/dbraw/zinc/78/33/86/409783386.db2.gz YUIFVYZHRIMDQD-SSDOTTSWSA-N 1 0 239.275 -1.800 20 0 BAADRO O=C(N[C@H]1CC(=O)N(C2CC2)C1)C1(O)C[NH2+]C1 ZINC000662609591 409783706 /nfs/dbraw/zinc/78/37/06/409783706.db2.gz YUIFVYZHRIMDQD-ZETCQYMHSA-N 1 0 239.275 -1.800 20 0 BAADRO CN1CCN(C(=O)C2(O)C[NH2+]C2)CC1=O ZINC000662609666 412239370 /nfs/dbraw/zinc/23/93/70/412239370.db2.gz GJBXNLAKIOHOIB-UHFFFAOYSA-N 1 0 213.237 -2.379 20 0 BAADRO CN(CC(C)(C)[NH3+])C(=O)CN1CC(=O)NC1=O ZINC000662610114 412240001 /nfs/dbraw/zinc/24/00/01/412240001.db2.gz JUJKTVJEPOYUBY-UHFFFAOYSA-N 1 0 242.279 -1.266 20 0 BAADRO COC(C)(C)CNC(=O)C1(O)C[NH2+]C1 ZINC000662610547 412239487 /nfs/dbraw/zinc/23/94/87/412239487.db2.gz NXSUMJJQMUCXAY-UHFFFAOYSA-N 1 0 202.254 -1.138 20 0 BAADRO CN1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1=O ZINC000662610665 412240339 /nfs/dbraw/zinc/24/03/39/412240339.db2.gz RPOJVXXBLFTEIN-BDAKNGLRSA-N 1 0 241.291 -1.349 20 0 BAADRO CN1CCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1=O ZINC000662610672 412240586 /nfs/dbraw/zinc/24/05/86/412240586.db2.gz RPOJVXXBLFTEIN-DTWKUNHWSA-N 1 0 241.291 -1.349 20 0 BAADRO CN1CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1=O ZINC000662610673 412240805 /nfs/dbraw/zinc/24/08/05/412240805.db2.gz RPOJVXXBLFTEIN-IUCAKERBSA-N 1 0 241.291 -1.349 20 0 BAADRO CN1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1=O ZINC000662610675 412240912 /nfs/dbraw/zinc/24/09/12/412240912.db2.gz RPOJVXXBLFTEIN-RKDXNWHRSA-N 1 0 241.291 -1.349 20 0 BAADRO CN1CCC[C@@H](NC(=O)C2(O)C[NH2+]C2)C1=O ZINC000662610760 490106426 /nfs/dbraw/zinc/10/64/26/490106426.db2.gz CNIDIQYYZSKUIB-SSDOTTSWSA-N 1 0 227.264 -1.942 20 0 BAADRO CN1CCC[C@H](NC(=O)C2(O)C[NH2+]C2)C1=O ZINC000662610761 490106050 /nfs/dbraw/zinc/10/60/50/490106050.db2.gz CNIDIQYYZSKUIB-ZETCQYMHSA-N 1 0 227.264 -1.942 20 0 BAADRO O=C(N[C@H]1CCSC1)C1(O)C[NH2+]C1 ZINC000662610860 412240938 /nfs/dbraw/zinc/24/09/38/412240938.db2.gz FTBRQLSQDLAKQQ-LURJTMIESA-N 1 0 202.279 -1.058 20 0 BAADRO O=C(N[C@@H]1CCSC1)C1(O)C[NH2+]C1 ZINC000662610862 412240810 /nfs/dbraw/zinc/24/08/10/412240810.db2.gz FTBRQLSQDLAKQQ-ZCFIWIBFSA-N 1 0 202.279 -1.058 20 0 BAADRO CC[C@H](CCO)CNC(=O)C1(O)C[NH2+]C1 ZINC000662610949 412240722 /nfs/dbraw/zinc/24/07/22/412240722.db2.gz GXJQMRMVFAEYRX-MRVPVSSYSA-N 1 0 216.281 -1.155 20 0 BAADRO CC[C@@H](CCO)CNC(=O)C1(O)C[NH2+]C1 ZINC000662610952 412240868 /nfs/dbraw/zinc/24/08/68/412240868.db2.gz GXJQMRMVFAEYRX-QMMMGPOBSA-N 1 0 216.281 -1.155 20 0 BAADRO C[C@@H](O)CCN(C)C(=O)C1(O)C[NH2+]C1 ZINC000662611744 412240326 /nfs/dbraw/zinc/24/03/26/412240326.db2.gz FVCJKZORPDFOPP-SSDOTTSWSA-N 1 0 202.254 -1.450 20 0 BAADRO C[C@H](O)CCN(C)C(=O)C1(O)C[NH2+]C1 ZINC000662611746 412240626 /nfs/dbraw/zinc/24/06/26/412240626.db2.gz FVCJKZORPDFOPP-ZETCQYMHSA-N 1 0 202.254 -1.450 20 0 BAADRO CO[C@H]1CCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662612349 412241516 /nfs/dbraw/zinc/24/15/16/412241516.db2.gz OOHUPVQBLLZYEA-ZETCQYMHSA-N 1 0 200.238 -1.432 20 0 BAADRO C[C@@H]1CN(C(=O)C2(O)C[NH2+]C2)CCS1(=O)=O ZINC000662612733 487673158 /nfs/dbraw/zinc/67/31/58/487673158.db2.gz ZEXLVYUGGGYOJH-SSDOTTSWSA-N 1 0 248.304 -2.034 20 0 BAADRO O=C(NC[C@H]1CCCC[C@@H]1O)C1(O)C[NH2+]C1 ZINC000662614919 412242210 /nfs/dbraw/zinc/24/22/10/412242210.db2.gz CBZBUHDQLHTPHT-BDAKNGLRSA-N 1 0 228.292 -1.012 20 0 BAADRO O=C(NC[C@@H]1CCCC[C@H]1O)C1(O)C[NH2+]C1 ZINC000662614920 412241539 /nfs/dbraw/zinc/24/15/39/412241539.db2.gz CBZBUHDQLHTPHT-DTWKUNHWSA-N 1 0 228.292 -1.012 20 0 BAADRO O=C(NC[C@@H]1CCCC[C@@H]1O)C1(O)C[NH2+]C1 ZINC000662614921 412241999 /nfs/dbraw/zinc/24/19/99/412241999.db2.gz CBZBUHDQLHTPHT-IUCAKERBSA-N 1 0 228.292 -1.012 20 0 BAADRO O=C(NC[C@H]1CCCC[C@H]1O)C1(O)C[NH2+]C1 ZINC000662614922 412242015 /nfs/dbraw/zinc/24/20/15/412242015.db2.gz CBZBUHDQLHTPHT-RKDXNWHRSA-N 1 0 228.292 -1.012 20 0 BAADRO COC[C@H]1CN(C(=O)C2(O)C[NH2+]C2)CCO1 ZINC000662616347 412243015 /nfs/dbraw/zinc/24/30/15/412243015.db2.gz SLPIRUWPCRPIKH-MRVPVSSYSA-N 1 0 230.264 -1.806 20 0 BAADRO COC[C@@H]1CN(C(=O)C2(O)C[NH2+]C2)CCO1 ZINC000662616350 412243632 /nfs/dbraw/zinc/24/36/32/412243632.db2.gz SLPIRUWPCRPIKH-QMMMGPOBSA-N 1 0 230.264 -1.806 20 0 BAADRO CN(Cc1ccon1)C(=O)C1(O)C[NH2+]C1 ZINC000662618464 412245055 /nfs/dbraw/zinc/24/50/55/412245055.db2.gz XSLKWMUJOQZILW-UHFFFAOYSA-N 1 0 211.221 -1.033 20 0 BAADRO C[C@@H](O)C[C@@H](C)CNC(=O)C1(O)C[NH2+]C1 ZINC000662624068 412245888 /nfs/dbraw/zinc/24/58/88/412245888.db2.gz RKWUJMVXZFKEBD-HTQZYQBOSA-N 1 0 216.281 -1.156 20 0 BAADRO C[C@@H](O)C[C@H](C)CNC(=O)C1(O)C[NH2+]C1 ZINC000662624069 412243348 /nfs/dbraw/zinc/24/33/48/412243348.db2.gz RKWUJMVXZFKEBD-JGVFFNPUSA-N 1 0 216.281 -1.156 20 0 BAADRO C[C@@H](CNC(=O)C1(O)C[NH2+]C1)C[C@H](C)O ZINC000662624070 412243372 /nfs/dbraw/zinc/24/33/72/412243372.db2.gz RKWUJMVXZFKEBD-SFYZADRCSA-N 1 0 216.281 -1.156 20 0 BAADRO C[C@H](O)C[C@H](C)CNC(=O)C1(O)C[NH2+]C1 ZINC000662624071 412242983 /nfs/dbraw/zinc/24/29/83/412242983.db2.gz RKWUJMVXZFKEBD-YUMQZZPRSA-N 1 0 216.281 -1.156 20 0 BAADRO CC[C@@H](O)CCCNC(=O)C1(O)C[NH2+]C1 ZINC000662628133 412249046 /nfs/dbraw/zinc/24/90/46/412249046.db2.gz KPLUZHNPJJEMNJ-MRVPVSSYSA-N 1 0 216.281 -1.012 20 0 BAADRO CC[C@H](O)CCCNC(=O)C1(O)C[NH2+]C1 ZINC000662628134 412248852 /nfs/dbraw/zinc/24/88/52/412248852.db2.gz KPLUZHNPJJEMNJ-QMMMGPOBSA-N 1 0 216.281 -1.012 20 0 BAADRO O=C(N1[C@@H]2CC[C@H]1CNC(=O)C2)C1(O)C[NH2+]C1 ZINC000662629263 412249021 /nfs/dbraw/zinc/24/90/21/412249021.db2.gz AINKCDLCYZCOAB-SFYZADRCSA-N 1 0 239.275 -1.800 20 0 BAADRO COCCOC[C@@H](C)NC(=O)C1(O)C[NH2+]C1 ZINC000662632881 412250197 /nfs/dbraw/zinc/25/01/97/412250197.db2.gz VQEDWWYXPYZURZ-MRVPVSSYSA-N 1 0 232.280 -1.512 20 0 BAADRO COCCOC[C@H](C)NC(=O)C1(O)C[NH2+]C1 ZINC000662632882 412249992 /nfs/dbraw/zinc/24/99/92/412249992.db2.gz VQEDWWYXPYZURZ-QMMMGPOBSA-N 1 0 232.280 -1.512 20 0 BAADRO C[C@@H](NC(=O)C1(O)C[NH2+]C1)C(=O)N(C)C ZINC000662635302 412251023 /nfs/dbraw/zinc/25/10/23/412251023.db2.gz FZQNRXDHYYMMTR-ZCFIWIBFSA-N 1 0 215.253 -2.086 20 0 BAADRO CCC(=O)N1CC[C@@H](NC(=O)C2(O)C[NH2+]C2)C1 ZINC000662638641 409806996 /nfs/dbraw/zinc/80/69/96/409806996.db2.gz CNVDMJSPSOKCDU-MRVPVSSYSA-N 1 0 241.291 -1.552 20 0 BAADRO CCC(=O)N1CC[C@H](NC(=O)C2(O)C[NH2+]C2)C1 ZINC000662638642 409807121 /nfs/dbraw/zinc/80/71/21/409807121.db2.gz CNVDMJSPSOKCDU-QMMMGPOBSA-N 1 0 241.291 -1.552 20 0 BAADRO C[C@H](CO[C@H]1CCOC1)NC(=O)C1(O)C[NH2+]C1 ZINC000662641723 412254058 /nfs/dbraw/zinc/25/40/58/412254058.db2.gz FJKWAYGZUSIWSE-BDAKNGLRSA-N 1 0 244.291 -1.369 20 0 BAADRO C[C@@H](CO[C@@H]1CCOC1)NC(=O)C1(O)C[NH2+]C1 ZINC000662641724 409810597 /nfs/dbraw/zinc/81/05/97/409810597.db2.gz FJKWAYGZUSIWSE-DTWKUNHWSA-N 1 0 244.291 -1.369 20 0 BAADRO C[C@@H](CO[C@H]1CCOC1)NC(=O)C1(O)C[NH2+]C1 ZINC000662641725 409811811 /nfs/dbraw/zinc/81/18/11/409811811.db2.gz FJKWAYGZUSIWSE-IUCAKERBSA-N 1 0 244.291 -1.369 20 0 BAADRO C[C@H](CO[C@@H]1CCOC1)NC(=O)C1(O)C[NH2+]C1 ZINC000662641726 409809659 /nfs/dbraw/zinc/80/96/59/409809659.db2.gz FJKWAYGZUSIWSE-RKDXNWHRSA-N 1 0 244.291 -1.369 20 0 BAADRO O=C(NCCCO[C@@H]1CCOC1)C1(O)C[NH2+]C1 ZINC000662642489 412253758 /nfs/dbraw/zinc/25/37/58/412253758.db2.gz YMFRZCYFNAPYGI-SECBINFHSA-N 1 0 244.291 -1.368 20 0 BAADRO O=C(NCCCO[C@H]1CCOC1)C1(O)C[NH2+]C1 ZINC000662642490 412254119 /nfs/dbraw/zinc/25/41/19/412254119.db2.gz YMFRZCYFNAPYGI-VIFPVBQESA-N 1 0 244.291 -1.368 20 0 BAADRO CN(C[C@H]1CCOC1)C(=O)C1(O)C[NH2+]C1 ZINC000662642722 409810369 /nfs/dbraw/zinc/81/03/69/409810369.db2.gz DWZLHPITGKCXIH-MRVPVSSYSA-N 1 0 214.265 -1.184 20 0 BAADRO CN(C[C@@H]1CCOC1)C(=O)C1(O)C[NH2+]C1 ZINC000662642723 409810138 /nfs/dbraw/zinc/81/01/38/409810138.db2.gz DWZLHPITGKCXIH-QMMMGPOBSA-N 1 0 214.265 -1.184 20 0 BAADRO O=C(N1CC[C@]2(CCOC2)C1)C1(O)C[NH2+]C1 ZINC000662643632 412253975 /nfs/dbraw/zinc/25/39/75/412253975.db2.gz LEFSVBPMGFGELV-JTQLQIEISA-N 1 0 226.276 -1.040 20 0 BAADRO O=C(N1CC[C@@]2(CCOC2)C1)C1(O)C[NH2+]C1 ZINC000662643633 412254242 /nfs/dbraw/zinc/25/42/42/412254242.db2.gz LEFSVBPMGFGELV-SNVBAGLBSA-N 1 0 226.276 -1.040 20 0 BAADRO CNC(=O)[C@H](C)CN(C)C(=O)C1(O)C[NH2+]C1 ZINC000662650503 412257576 /nfs/dbraw/zinc/25/75/76/412257576.db2.gz ZAWJBNLEJDNIPI-SSDOTTSWSA-N 1 0 229.280 -1.839 20 0 BAADRO CNC(=O)[C@@H](C)CN(C)C(=O)C1(O)C[NH2+]C1 ZINC000662650504 412257218 /nfs/dbraw/zinc/25/72/18/412257218.db2.gz ZAWJBNLEJDNIPI-ZETCQYMHSA-N 1 0 229.280 -1.839 20 0 BAADRO [NH3+][C@H]1C[C@H](C(=O)N2CCN3C(=O)NC[C@H]3C2)C1 ZINC000662652109 412257215 /nfs/dbraw/zinc/25/72/15/412257215.db2.gz KVBGYWDIALFYMZ-CIUDSAMLSA-N 1 0 238.291 -1.040 20 0 BAADRO [NH3+][C@H]1C[C@H](C(=O)N2CCN3C(=O)NC[C@@H]3C2)C1 ZINC000662652110 412257408 /nfs/dbraw/zinc/25/74/08/412257408.db2.gz KVBGYWDIALFYMZ-IWSPIJDZSA-N 1 0 238.291 -1.040 20 0 BAADRO O=C(N1CCN2C(=O)NC[C@@H]2C1)C1(O)C[NH2+]C1 ZINC000662653015 412256957 /nfs/dbraw/zinc/25/69/57/412256957.db2.gz TWXZTWXEDYQCDC-SSDOTTSWSA-N 1 0 240.263 -2.443 20 0 BAADRO O=C(N1CCN2C(=O)NC[C@H]2C1)C1(O)C[NH2+]C1 ZINC000662653021 412257339 /nfs/dbraw/zinc/25/73/39/412257339.db2.gz TWXZTWXEDYQCDC-ZETCQYMHSA-N 1 0 240.263 -2.443 20 0 BAADRO NC(=O)[C@@H]1CC[C@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2)O1 ZINC000662654388 409815718 /nfs/dbraw/zinc/81/57/18/409815718.db2.gz BMVBRDWIORNABO-BGZDPUMWSA-N 1 0 241.291 -1.127 20 0 BAADRO NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2)O1 ZINC000662654389 409813955 /nfs/dbraw/zinc/81/39/55/409813955.db2.gz BMVBRDWIORNABO-FNCVBFRFSA-N 1 0 241.291 -1.127 20 0 BAADRO NC(=O)[C@@H]1CC[C@@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2)O1 ZINC000662654390 409815632 /nfs/dbraw/zinc/81/56/32/409815632.db2.gz BMVBRDWIORNABO-JBDRJPRFSA-N 1 0 241.291 -1.127 20 0 BAADRO NC(=O)[C@H]1CC[C@@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2)O1 ZINC000662654391 409815688 /nfs/dbraw/zinc/81/56/88/409815688.db2.gz BMVBRDWIORNABO-XSPKLOCKSA-N 1 0 241.291 -1.127 20 0 BAADRO CN(C[C@@H]1COCCO1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000662655981 412258281 /nfs/dbraw/zinc/25/82/81/412258281.db2.gz ANSKUNUTBVFEFE-NXEZZACHSA-N 1 0 244.291 -1.151 20 0 BAADRO CN(C[C@H]1COCCO1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000662655984 412258481 /nfs/dbraw/zinc/25/84/81/412258481.db2.gz ANSKUNUTBVFEFE-UWVGGRQHSA-N 1 0 244.291 -1.151 20 0 BAADRO CN(C[C@H]1COCCO1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000662655987 412258528 /nfs/dbraw/zinc/25/85/28/412258528.db2.gz ANSKUNUTBVFEFE-VHSXEESVSA-N 1 0 244.291 -1.151 20 0 BAADRO CN(C[C@@H]1COCCO1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000662655990 412258672 /nfs/dbraw/zinc/25/86/72/412258672.db2.gz ANSKUNUTBVFEFE-ZJUUUORDSA-N 1 0 244.291 -1.151 20 0 BAADRO Cc1cc(NC(=O)C2(O)C[NH2+]C2)c(=O)n(C)c1 ZINC000662656569 412258364 /nfs/dbraw/zinc/25/83/64/412258364.db2.gz OFRAPCSJOHAARX-UHFFFAOYSA-N 1 0 237.259 -1.033 20 0 BAADRO O=C(NCCCn1ccnc1)C1(O)C[NH2+]C1 ZINC000662658477 412259517 /nfs/dbraw/zinc/25/95/17/412259517.db2.gz AOYNUKQOJIFXNR-UHFFFAOYSA-N 1 0 224.264 -1.276 20 0 BAADRO CCN1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662659137 412259964 /nfs/dbraw/zinc/25/99/64/412259964.db2.gz IBIIWEABBXEVIU-UHFFFAOYSA-N 1 0 213.281 -1.515 20 0 BAADRO O=C(NCCN1CCOCC1)C1(O)C[NH2+]C1 ZINC000662659826 412261591 /nfs/dbraw/zinc/26/15/91/412261591.db2.gz VKVZNFKJIPBXMY-UHFFFAOYSA-N 1 0 229.280 -2.231 20 0 BAADRO O=C(NCCCN1CCOCC1)C1(O)C[NH2+]C1 ZINC000662660040 412261013 /nfs/dbraw/zinc/26/10/13/412261013.db2.gz SELZOJJPVIJCIS-UHFFFAOYSA-N 1 0 243.307 -1.841 20 0 BAADRO O=C(NCCn1ccnc1)C1(O)C[NH2+]C1 ZINC000662664937 412263724 /nfs/dbraw/zinc/26/37/24/412263724.db2.gz XUWMPUJIWXYWFH-UHFFFAOYSA-N 1 0 210.237 -1.666 20 0 BAADRO CN(Cc1cnn(C)c1)C(=O)C1(O)C[NH2+]C1 ZINC000662665143 412263074 /nfs/dbraw/zinc/26/30/74/412263074.db2.gz GHHXSHMHHUGJMO-UHFFFAOYSA-N 1 0 224.264 -1.287 20 0 BAADRO COCCN1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662670976 412265613 /nfs/dbraw/zinc/26/56/13/412265613.db2.gz PNCVEGAWGSNRFF-UHFFFAOYSA-N 1 0 243.307 -1.889 20 0 BAADRO CC(C)N1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662672457 412265977 /nfs/dbraw/zinc/26/59/77/412265977.db2.gz BJFSTQCYVKXLCI-UHFFFAOYSA-N 1 0 227.308 -1.127 20 0 BAADRO O=C(N1CCN(C2CC2)CC1)C1(O)C[NH2+]C1 ZINC000662673735 412266909 /nfs/dbraw/zinc/26/69/09/412266909.db2.gz PNLTVJLMIURVGT-UHFFFAOYSA-N 1 0 225.292 -1.373 20 0 BAADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C1(O)C[NH2+]C1 ZINC000662681569 412269806 /nfs/dbraw/zinc/26/98/06/412269806.db2.gz IFRWNNNMFRXNCV-SECBINFHSA-N 1 0 239.319 -1.079 20 0 BAADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C1(O)C[NH2+]C1 ZINC000662681570 412269623 /nfs/dbraw/zinc/26/96/23/412269623.db2.gz IFRWNNNMFRXNCV-VIFPVBQESA-N 1 0 239.319 -1.079 20 0 BAADRO O=C(NCCNc1cnccn1)C1(O)C[NH2+]C1 ZINC000662682632 412269339 /nfs/dbraw/zinc/26/93/39/412269339.db2.gz MTMWOBHCFXOPAX-UHFFFAOYSA-N 1 0 237.263 -1.661 20 0 BAADRO COCC[N@H+](C)CCCNC(=O)C1(O)C[NH2+]C1 ZINC000662685039 412270766 /nfs/dbraw/zinc/27/07/66/412270766.db2.gz OACSJVPZDQDCPA-UHFFFAOYSA-N 1 0 245.323 -1.595 20 0 BAADRO O=C(Nc1c[nH]ccc1=O)C1(O)C[NH2+]C1 ZINC000662686611 412270532 /nfs/dbraw/zinc/27/05/32/412270532.db2.gz HWTTYDINWWDIRW-UHFFFAOYSA-N 1 0 209.205 -1.352 20 0 BAADRO C[C@@H]1CN(C(=O)CC[NH3+])CCN1S(C)(=O)=O ZINC000662687091 412270935 /nfs/dbraw/zinc/27/09/35/412270935.db2.gz DXELPSTWVXPPGT-MRVPVSSYSA-N 1 0 249.336 -1.173 20 0 BAADRO C[C@H](Cn1ccnc1)NC(=O)C1(O)C[NH2+]C1 ZINC000662687458 412270970 /nfs/dbraw/zinc/27/09/70/412270970.db2.gz YGGCIQPCWIXVCI-MRVPVSSYSA-N 1 0 224.264 -1.278 20 0 BAADRO C[C@@H](Cn1ccnc1)NC(=O)C1(O)C[NH2+]C1 ZINC000662687461 412270979 /nfs/dbraw/zinc/27/09/79/412270979.db2.gz YGGCIQPCWIXVCI-QMMMGPOBSA-N 1 0 224.264 -1.278 20 0 BAADRO C[C@H](CNC(=O)C1(O)C[NH2+]C1)Cn1ccnc1 ZINC000662687607 409832473 /nfs/dbraw/zinc/83/24/73/409832473.db2.gz HMWAMVRJSYYPKH-SECBINFHSA-N 1 0 238.291 -1.030 20 0 BAADRO C[C@@H](CNC(=O)C1(O)C[NH2+]C1)Cn1ccnc1 ZINC000662687608 409833703 /nfs/dbraw/zinc/83/37/03/409833703.db2.gz HMWAMVRJSYYPKH-VIFPVBQESA-N 1 0 238.291 -1.030 20 0 BAADRO C[NH2+]CC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000662687891 412270687 /nfs/dbraw/zinc/27/06/87/412270687.db2.gz JUAREXJMFNDOQN-MRVPVSSYSA-N 1 0 249.336 -1.302 20 0 BAADRO C[NH+](C)[C@H](CNC(=O)C1(O)C[NH2+]C1)C1CC1 ZINC000662688878 412272380 /nfs/dbraw/zinc/27/23/80/412272380.db2.gz QKNXKGZIXGYOCL-SECBINFHSA-N 1 0 227.308 -1.223 20 0 BAADRO C[NH+](C)[C@@H](CNC(=O)C1(O)C[NH2+]C1)C1CC1 ZINC000662688879 412272058 /nfs/dbraw/zinc/27/20/58/412272058.db2.gz QKNXKGZIXGYOCL-VIFPVBQESA-N 1 0 227.308 -1.223 20 0 BAADRO C[N@@H+]1CCC[C@@H](NC(=O)C2(O)C[NH2+]C2)C1 ZINC000662690698 412271787 /nfs/dbraw/zinc/27/17/87/412271787.db2.gz AKJHEMHAHQRQSL-MRVPVSSYSA-N 1 0 213.281 -1.469 20 0 BAADRO C[N@@H+]1CCC[C@H](NC(=O)C2(O)C[NH2+]C2)C1 ZINC000662690699 412272155 /nfs/dbraw/zinc/27/21/55/412272155.db2.gz AKJHEMHAHQRQSL-QMMMGPOBSA-N 1 0 213.281 -1.469 20 0 BAADRO CN1CCN(C(=O)[C@H]2C[NH2+]CCO2)CCC1=O ZINC000662694686 412274325 /nfs/dbraw/zinc/27/43/25/412274325.db2.gz AWSBKBQQFHUNJC-SECBINFHSA-N 1 0 241.291 -1.335 20 0 BAADRO CN1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CCC1=O ZINC000662694687 412274728 /nfs/dbraw/zinc/27/47/28/412274728.db2.gz AWSBKBQQFHUNJC-VIFPVBQESA-N 1 0 241.291 -1.335 20 0 BAADRO CN1CCN(C(=O)COCC[NH3+])CCC1=O ZINC000662694741 412274849 /nfs/dbraw/zinc/27/48/49/412274849.db2.gz BTQGBGTUOZHUPR-UHFFFAOYSA-N 1 0 229.280 -1.348 20 0 BAADRO C[NH+]1CCC(CNC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662700809 412275269 /nfs/dbraw/zinc/27/52/69/412275269.db2.gz LLRVDASPQPGFKZ-UHFFFAOYSA-N 1 0 227.308 -1.221 20 0 BAADRO C[C@@H]1COCCN1CCNC(=O)C1(O)C[NH2+]C1 ZINC000662714567 412280830 /nfs/dbraw/zinc/28/08/30/412280830.db2.gz IJGWRYDNUCJMNU-SECBINFHSA-N 1 0 243.307 -1.842 20 0 BAADRO C[C@H]1COCCN1CCNC(=O)C1(O)C[NH2+]C1 ZINC000662714568 412281217 /nfs/dbraw/zinc/28/12/17/412281217.db2.gz IJGWRYDNUCJMNU-VIFPVBQESA-N 1 0 243.307 -1.842 20 0 BAADRO CN(Cc1cc[nH]n1)C(=O)C1(O)C[NH2+]C1 ZINC000662726259 412284004 /nfs/dbraw/zinc/28/40/04/412284004.db2.gz HJTUUAAYRGPDRE-UHFFFAOYSA-N 1 0 210.237 -1.298 20 0 BAADRO C[C@@H]1C[C@@H](NC(=O)C2(O)C[NH2+]C2)CC[N@@H+]1C ZINC000662731625 412286803 /nfs/dbraw/zinc/28/68/03/412286803.db2.gz HSKIULUFGZBTOZ-BDAKNGLRSA-N 1 0 227.308 -1.080 20 0 BAADRO C[C@H]1C[C@H](NC(=O)C2(O)C[NH2+]C2)CC[N@@H+]1C ZINC000662731626 412286354 /nfs/dbraw/zinc/28/63/54/412286354.db2.gz HSKIULUFGZBTOZ-DTWKUNHWSA-N 1 0 227.308 -1.080 20 0 BAADRO C[C@H]1C[C@@H](NC(=O)C2(O)C[NH2+]C2)CC[N@@H+]1C ZINC000662731627 412286495 /nfs/dbraw/zinc/28/64/95/412286495.db2.gz HSKIULUFGZBTOZ-IUCAKERBSA-N 1 0 227.308 -1.080 20 0 BAADRO C[C@@H]1C[C@H](NC(=O)C2(O)C[NH2+]C2)CC[N@@H+]1C ZINC000662731628 412287069 /nfs/dbraw/zinc/28/70/69/412287069.db2.gz HSKIULUFGZBTOZ-RKDXNWHRSA-N 1 0 227.308 -1.080 20 0 BAADRO CN(CCn1cccn1)C(=O)C1(O)C[NH2+]C1 ZINC000662731688 412287168 /nfs/dbraw/zinc/28/71/68/412287168.db2.gz IKKPAIDJRCLKNY-UHFFFAOYSA-N 1 0 224.264 -1.324 20 0 BAADRO CN(Cc1cn[nH]c1)C(=O)C1(O)C[NH2+]C1 ZINC000662734981 412288061 /nfs/dbraw/zinc/28/80/61/412288061.db2.gz URPCDDLWHORPKV-UHFFFAOYSA-N 1 0 210.237 -1.298 20 0 BAADRO O=C(NCc1ccc(=O)[nH]c1)C1(O)C[NH2+]C1 ZINC000662738222 409880345 /nfs/dbraw/zinc/88/03/45/409880345.db2.gz VQKVMOAMLXDIPT-UHFFFAOYSA-N 1 0 223.232 -1.262 20 0 BAADRO CN(C(=O)C1(O)C[NH2+]C1)c1cnn(C)c1 ZINC000662745377 412289947 /nfs/dbraw/zinc/28/99/47/412289947.db2.gz LLXLKEUIZBCRKI-UHFFFAOYSA-N 1 0 210.237 -1.283 20 0 BAADRO C[NH+](C)C1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662756960 412291600 /nfs/dbraw/zinc/29/16/00/412291600.db2.gz KNHGSVOLBJICAJ-UHFFFAOYSA-N 1 0 227.308 -1.127 20 0 BAADRO C[C@H](Cn1cccn1)NC(=O)C1(O)C[NH2+]C1 ZINC000662758068 412292771 /nfs/dbraw/zinc/29/27/71/412292771.db2.gz QPFZVKBSFMXSNR-MRVPVSSYSA-N 1 0 224.264 -1.278 20 0 BAADRO C[C@@H](Cn1cccn1)NC(=O)C1(O)C[NH2+]C1 ZINC000662758069 412293107 /nfs/dbraw/zinc/29/31/07/412293107.db2.gz QPFZVKBSFMXSNR-QMMMGPOBSA-N 1 0 224.264 -1.278 20 0 BAADRO C[C@H](C[NH3+])CNC(=O)C1(n2cnnn2)CC1 ZINC000662758525 409884513 /nfs/dbraw/zinc/88/45/13/409884513.db2.gz SQDHWSIVTIWMKV-SSDOTTSWSA-N 1 0 224.268 -1.127 20 0 BAADRO C[C@@H](C[NH3+])CNC(=O)C1(n2cnnn2)CC1 ZINC000662758526 409883968 /nfs/dbraw/zinc/88/39/68/409883968.db2.gz SQDHWSIVTIWMKV-ZETCQYMHSA-N 1 0 224.268 -1.127 20 0 BAADRO C[C@@H](C[NH3+])CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000662758612 412292650 /nfs/dbraw/zinc/29/26/50/412292650.db2.gz VBTHVHDYESETRZ-BQBZGAKWSA-N 1 0 214.269 -1.279 20 0 BAADRO C[C@@H](C[NH3+])CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC000662758614 412293056 /nfs/dbraw/zinc/29/30/56/412293056.db2.gz VBTHVHDYESETRZ-NKWVEPMBSA-N 1 0 214.269 -1.279 20 0 BAADRO C[C@H](C[NH3+])CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC000662758615 412284839 /nfs/dbraw/zinc/28/48/39/412284839.db2.gz VBTHVHDYESETRZ-RNFRBKRXSA-N 1 0 214.269 -1.279 20 0 BAADRO C[C@H](C[NH3+])CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000662758617 412284864 /nfs/dbraw/zinc/28/48/64/412284864.db2.gz VBTHVHDYESETRZ-RQJHMYQMSA-N 1 0 214.269 -1.279 20 0 BAADRO C[C@@H](CC[NH3+])NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000662763487 412293349 /nfs/dbraw/zinc/29/33/49/412293349.db2.gz CXEGWVUDWIVPOI-BQBZGAKWSA-N 1 0 214.269 -1.137 20 0 BAADRO C[C@@H](CC[NH3+])NC(=O)[C@H]1CN(C)C(=O)N1 ZINC000662763488 412293809 /nfs/dbraw/zinc/29/38/09/412293809.db2.gz CXEGWVUDWIVPOI-NKWVEPMBSA-N 1 0 214.269 -1.137 20 0 BAADRO C[C@H](CC[NH3+])NC(=O)[C@H]1CN(C)C(=O)N1 ZINC000662763489 412294113 /nfs/dbraw/zinc/29/41/13/412294113.db2.gz CXEGWVUDWIVPOI-RNFRBKRXSA-N 1 0 214.269 -1.137 20 0 BAADRO C[C@H](CC[NH3+])NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000662763490 412293432 /nfs/dbraw/zinc/29/34/32/412293432.db2.gz CXEGWVUDWIVPOI-RQJHMYQMSA-N 1 0 214.269 -1.137 20 0 BAADRO COCC[NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC000662764300 412295081 /nfs/dbraw/zinc/29/50/81/412295081.db2.gz OLPACYCFFIBZKE-MRVPVSSYSA-N 1 0 244.295 -1.638 20 0 BAADRO COCC[NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000662764305 412294413 /nfs/dbraw/zinc/29/44/13/412294413.db2.gz OLPACYCFFIBZKE-QMMMGPOBSA-N 1 0 244.295 -1.638 20 0 BAADRO CN1C[C@H](C(=O)NC[C@@H]([NH3+])C2CC2)NC1=O ZINC000662764846 412295092 /nfs/dbraw/zinc/29/50/92/412295092.db2.gz SNNGDRSKBIGDIN-HTQZYQBOSA-N 1 0 226.280 -1.137 20 0 BAADRO CN1C[C@H](C(=O)NC[C@H]([NH3+])C2CC2)NC1=O ZINC000662764847 412294759 /nfs/dbraw/zinc/29/47/59/412294759.db2.gz SNNGDRSKBIGDIN-JGVFFNPUSA-N 1 0 226.280 -1.137 20 0 BAADRO CN1C[C@@H](C(=O)NC[C@@H]([NH3+])C2CC2)NC1=O ZINC000662764849 409889058 /nfs/dbraw/zinc/88/90/58/409889058.db2.gz SNNGDRSKBIGDIN-SFYZADRCSA-N 1 0 226.280 -1.137 20 0 BAADRO CN1C[C@@H](C(=O)NC[C@H]([NH3+])C2CC2)NC1=O ZINC000662764853 409888584 /nfs/dbraw/zinc/88/85/84/409888584.db2.gz SNNGDRSKBIGDIN-YUMQZZPRSA-N 1 0 226.280 -1.137 20 0 BAADRO C[C@H](C[NH3+])NC(=O)C1(n2cnnn2)CC1 ZINC000662765637 412295212 /nfs/dbraw/zinc/29/52/12/412295212.db2.gz CFVHOODTPXYIHS-ZCFIWIBFSA-N 1 0 210.241 -1.374 20 0 BAADRO C[C@H](C[NH3+])NC(=O)[C@H]1CN(C)C(=O)N1 ZINC000662765937 412295138 /nfs/dbraw/zinc/29/51/38/412295138.db2.gz GSGPTSDZVADOQT-PHDIDXHHSA-N 1 0 200.242 -1.527 20 0 BAADRO C[C@H](C[NH3+])NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000662765938 412294945 /nfs/dbraw/zinc/29/49/45/412294945.db2.gz GSGPTSDZVADOQT-RITPCOANSA-N 1 0 200.242 -1.527 20 0 BAADRO NCC(F)(F)CNC(=O)C1(O)C[NH2+]C1 ZINC000662767061 412296166 /nfs/dbraw/zinc/29/61/66/412296166.db2.gz RDRFIIHRXCOBPY-UHFFFAOYSA-N 1 0 209.196 -1.969 20 0 BAADRO CN1C[C@H](C(=O)N2CCO[C@H](C[NH3+])C2)NC1=O ZINC000662767390 412296304 /nfs/dbraw/zinc/29/63/04/412296304.db2.gz VPDRKYWKYSIHFG-HTQZYQBOSA-N 1 0 242.279 -1.804 20 0 BAADRO CN1C[C@H](C(=O)N2CCO[C@@H](C[NH3+])C2)NC1=O ZINC000662767391 412296244 /nfs/dbraw/zinc/29/62/44/412296244.db2.gz VPDRKYWKYSIHFG-JGVFFNPUSA-N 1 0 242.279 -1.804 20 0 BAADRO CN1C[C@@H](C(=O)N2CCO[C@H](C[NH3+])C2)NC1=O ZINC000662767392 412295799 /nfs/dbraw/zinc/29/57/99/412295799.db2.gz VPDRKYWKYSIHFG-SFYZADRCSA-N 1 0 242.279 -1.804 20 0 BAADRO CN1C[C@@H](C(=O)N2CCO[C@@H](C[NH3+])C2)NC1=O ZINC000662767393 412295977 /nfs/dbraw/zinc/29/59/77/412295977.db2.gz VPDRKYWKYSIHFG-YUMQZZPRSA-N 1 0 242.279 -1.804 20 0 BAADRO COC[C@@H](NC(=O)C1(O)C[NH2+]C1)C1CC1 ZINC000662767812 409890121 /nfs/dbraw/zinc/89/01/21/409890121.db2.gz ZGQXAGFMSQQHDU-MRVPVSSYSA-N 1 0 214.265 -1.138 20 0 BAADRO COC[C@H](NC(=O)C1(O)C[NH2+]C1)C1CC1 ZINC000662767813 409890907 /nfs/dbraw/zinc/89/09/07/409890907.db2.gz ZGQXAGFMSQQHDU-QMMMGPOBSA-N 1 0 214.265 -1.138 20 0 BAADRO CC(C)[C@H]1CN(C(=O)C2(O)C[NH2+]C2)CC[NH2+]1 ZINC000662769895 412297152 /nfs/dbraw/zinc/29/71/52/412297152.db2.gz JPNRGBUEGVYHIX-SECBINFHSA-N 1 0 227.308 -1.223 20 0 BAADRO O=C(N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1(O)C[NH2+]C1 ZINC000662769937 412297104 /nfs/dbraw/zinc/29/71/04/412297104.db2.gz LJZZSTLWJCLMAH-DTORHVGOSA-N 1 0 225.292 -1.326 20 0 BAADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C2(O)C[NH2+]C2)C1 ZINC000662770391 412296863 /nfs/dbraw/zinc/29/68/63/412296863.db2.gz PBPOMJKWOJQJHC-HTQZYQBOSA-N 1 0 213.281 -1.293 20 0 BAADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C2(O)C[NH2+]C2)C1 ZINC000662770392 412297068 /nfs/dbraw/zinc/29/70/68/412297068.db2.gz PBPOMJKWOJQJHC-JGVFFNPUSA-N 1 0 213.281 -1.293 20 0 BAADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C2(O)C[NH2+]C2)C1 ZINC000662770394 412297299 /nfs/dbraw/zinc/29/72/99/412297299.db2.gz PBPOMJKWOJQJHC-SFYZADRCSA-N 1 0 213.281 -1.293 20 0 BAADRO [NH3+][C@H]1CCC[C@H](NC(=O)C2(O)C[NH2+]C2)C1 ZINC000662770396 412297221 /nfs/dbraw/zinc/29/72/21/412297221.db2.gz PBPOMJKWOJQJHC-YUMQZZPRSA-N 1 0 213.281 -1.293 20 0 BAADRO O=C(N[C@@H]1CCC[NH2+]CC1)C1(O)C[NH2+]C1 ZINC000662770551 412296949 /nfs/dbraw/zinc/29/69/49/412296949.db2.gz VZFFNLKHJYYGNI-MRVPVSSYSA-N 1 0 213.281 -1.421 20 0 BAADRO O=C(N[C@H]1CCC[NH2+]CC1)C1(O)C[NH2+]C1 ZINC000662770554 412296735 /nfs/dbraw/zinc/29/67/35/412296735.db2.gz VZFFNLKHJYYGNI-QMMMGPOBSA-N 1 0 213.281 -1.421 20 0 BAADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C1(O)C[NH2+]C1 ZINC000662770740 412296710 /nfs/dbraw/zinc/29/67/10/412296710.db2.gz BVSYHVFQOJUCGD-HTQZYQBOSA-N 1 0 213.281 -1.565 20 0 BAADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C1(O)C[NH2+]C1 ZINC000662770743 412297048 /nfs/dbraw/zinc/29/70/48/412297048.db2.gz BVSYHVFQOJUCGD-JGVFFNPUSA-N 1 0 213.281 -1.565 20 0 BAADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C1(O)C[NH2+]C1 ZINC000662770745 412297429 /nfs/dbraw/zinc/29/74/29/412297429.db2.gz BVSYHVFQOJUCGD-SFYZADRCSA-N 1 0 213.281 -1.565 20 0 BAADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C1(O)C[NH2+]C1 ZINC000662770747 412296761 /nfs/dbraw/zinc/29/67/61/412296761.db2.gz BVSYHVFQOJUCGD-YUMQZZPRSA-N 1 0 213.281 -1.565 20 0 BAADRO CC1([NH3+])CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662771133 412296918 /nfs/dbraw/zinc/29/69/18/412296918.db2.gz UNBUWUOHSSMZHL-UHFFFAOYSA-N 1 0 213.281 -1.340 20 0 BAADRO CC[C@@H]1CN(C(=O)C2(O)C[NH2+]C2)CC[C@@H]1[NH3+] ZINC000662772116 412296596 /nfs/dbraw/zinc/29/65/96/412296596.db2.gz CDFNJQPXKVDTNT-BDAKNGLRSA-N 1 0 227.308 -1.094 20 0 BAADRO CC[C@H]1CN(C(=O)C2(O)C[NH2+]C2)CC[C@H]1[NH3+] ZINC000662772117 412297051 /nfs/dbraw/zinc/29/70/51/412297051.db2.gz CDFNJQPXKVDTNT-DTWKUNHWSA-N 1 0 227.308 -1.094 20 0 BAADRO CC[C@H]1CN(C(=O)C2(O)C[NH2+]C2)CC[C@@H]1[NH3+] ZINC000662772118 412297417 /nfs/dbraw/zinc/29/74/17/412297417.db2.gz CDFNJQPXKVDTNT-IUCAKERBSA-N 1 0 227.308 -1.094 20 0 BAADRO CC[C@@H]1CN(C(=O)C2(O)C[NH2+]C2)CC[C@H]1[NH3+] ZINC000662772120 412296770 /nfs/dbraw/zinc/29/67/70/412296770.db2.gz CDFNJQPXKVDTNT-RKDXNWHRSA-N 1 0 227.308 -1.094 20 0 BAADRO O=C(N1CC[C@H]2CC[NH2+][C@H]2C1)C1(O)C[NH2+]C1 ZINC000662772322 412297490 /nfs/dbraw/zinc/29/74/90/412297490.db2.gz OHXHEQACQINLPE-BDAKNGLRSA-N 1 0 225.292 -1.469 20 0 BAADRO O=C(N1CC[C@@H]2CC[NH2+][C@@H]2C1)C1(O)C[NH2+]C1 ZINC000662772323 412297021 /nfs/dbraw/zinc/29/70/21/412297021.db2.gz OHXHEQACQINLPE-DTWKUNHWSA-N 1 0 225.292 -1.469 20 0 BAADRO O=C(N1CC[C@@H]2CC[NH2+][C@H]2C1)C1(O)C[NH2+]C1 ZINC000662772324 412297359 /nfs/dbraw/zinc/29/73/59/412297359.db2.gz OHXHEQACQINLPE-IUCAKERBSA-N 1 0 225.292 -1.469 20 0 BAADRO O=C(N1CC[C@H]2CC[NH2+][C@@H]2C1)C1(O)C[NH2+]C1 ZINC000662772325 412296747 /nfs/dbraw/zinc/29/67/47/412296747.db2.gz OHXHEQACQINLPE-RKDXNWHRSA-N 1 0 225.292 -1.469 20 0 BAADRO CN1C[C@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)NC1=O ZINC000662772649 412298329 /nfs/dbraw/zinc/29/83/29/412298329.db2.gz BYMBJCOODCIRTM-HRDYMLBCSA-N 1 0 238.291 -1.312 20 0 BAADRO CN1C[C@@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)NC1=O ZINC000662772650 412298430 /nfs/dbraw/zinc/29/84/30/412298430.db2.gz BYMBJCOODCIRTM-YIZRAAEISA-N 1 0 238.291 -1.312 20 0 BAADRO O=C(N1C[C@H]2C[NH2+]C[C@H]2C1)C1(n2cnnn2)CC1 ZINC000662773352 409893544 /nfs/dbraw/zinc/89/35/44/409893544.db2.gz HKNOBDUYQMQTTR-DTORHVGOSA-N 1 0 248.290 -1.160 20 0 BAADRO C[C@H]([NH3+])CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC000662774097 412297920 /nfs/dbraw/zinc/29/79/20/412297920.db2.gz MIQKELYUNOGHGO-NTSWFWBYSA-N 1 0 200.242 -1.527 20 0 BAADRO C[C@@H]([NH3+])CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC000662774098 412298356 /nfs/dbraw/zinc/29/83/56/412298356.db2.gz MIQKELYUNOGHGO-PHDIDXHHSA-N 1 0 200.242 -1.527 20 0 BAADRO C[C@@H]([NH3+])CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000662774099 412298237 /nfs/dbraw/zinc/29/82/37/412298237.db2.gz MIQKELYUNOGHGO-RITPCOANSA-N 1 0 200.242 -1.527 20 0 BAADRO C[C@H]([NH3+])CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000662774100 412298371 /nfs/dbraw/zinc/29/83/71/412298371.db2.gz MIQKELYUNOGHGO-WDSKDSINSA-N 1 0 200.242 -1.527 20 0 BAADRO C[C@H]([NH3+])CNC(=O)C1(n2cnnn2)CC1 ZINC000662774369 409893435 /nfs/dbraw/zinc/89/34/35/409893435.db2.gz NYQLKENOLPPQRO-LURJTMIESA-N 1 0 210.241 -1.374 20 0 BAADRO C[C@@H]([NH3+])CNC(=O)C1(n2cnnn2)CC1 ZINC000662774370 409892835 /nfs/dbraw/zinc/89/28/35/409892835.db2.gz NYQLKENOLPPQRO-ZCFIWIBFSA-N 1 0 210.241 -1.374 20 0 BAADRO [NH3+][C@H]1C[C@H](C(=O)N2CCN(CCO)CC2)C1 ZINC000662778337 412300092 /nfs/dbraw/zinc/30/00/92/412300092.db2.gz GTPXAVUFQNOXLA-MGCOHNPYSA-N 1 0 227.308 -1.140 20 0 BAADRO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)NC1=O ZINC000662779292 412299950 /nfs/dbraw/zinc/29/99/50/412299950.db2.gz MHYCWDHYONLLAB-CWKFCGSDSA-N 1 0 224.264 -1.656 20 0 BAADRO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)NC1=O ZINC000662779304 412299976 /nfs/dbraw/zinc/29/99/76/412299976.db2.gz MHYCWDHYONLLAB-FKSUSPILSA-N 1 0 224.264 -1.656 20 0 BAADRO O=C(N1CCN(CCO)CC1)C1(O)C[NH2+]C1 ZINC000662780182 412300078 /nfs/dbraw/zinc/30/00/78/412300078.db2.gz OMTIOVREVOUOFG-UHFFFAOYSA-N 1 0 229.280 -2.543 20 0 BAADRO CN1C[C@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)NC1=O ZINC000662781621 412300787 /nfs/dbraw/zinc/30/07/87/412300787.db2.gz YEDBOJIOORVCBO-BIIVOSGPSA-N 1 0 244.270 -1.174 20 0 BAADRO CN1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)NC1=O ZINC000662781622 412300544 /nfs/dbraw/zinc/30/05/44/412300544.db2.gz YEDBOJIOORVCBO-FXQIFTODSA-N 1 0 244.270 -1.174 20 0 BAADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1(n2cnnn2)CC1 ZINC000662781736 412300470 /nfs/dbraw/zinc/30/04/70/412300470.db2.gz ZJOZHCGXFKXIJV-JIGDXULJSA-N 1 0 234.263 -1.504 20 0 BAADRO C[C@@]1(F)CNCCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662782206 412300687 /nfs/dbraw/zinc/30/06/87/412300687.db2.gz CHCKKUJPWJUAKP-SECBINFHSA-N 1 0 231.271 -1.519 20 0 BAADRO C[C@]1(F)CNCCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662782212 412300440 /nfs/dbraw/zinc/30/04/40/412300440.db2.gz CHCKKUJPWJUAKP-VIFPVBQESA-N 1 0 231.271 -1.519 20 0 BAADRO CN(C(=O)[C@H]1CN(C)C(=O)N1)C1CC([NH3+])C1 ZINC000662782714 409912704 /nfs/dbraw/zinc/91/27/04/409912704.db2.gz KZWZBTCUHGJJQG-KAVNDROISA-N 1 0 226.280 -1.042 20 0 BAADRO CN(C(=O)[C@@H]1CN(C)C(=O)N1)C1CC([NH3+])C1 ZINC000662782716 409912245 /nfs/dbraw/zinc/91/22/45/409912245.db2.gz KZWZBTCUHGJJQG-RRQHEKLDSA-N 1 0 226.280 -1.042 20 0 BAADRO CC[C@H]([NH3+])CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000662784713 412301594 /nfs/dbraw/zinc/30/15/94/412301594.db2.gz WCPJSHGOJZXUNU-BQBZGAKWSA-N 1 0 214.269 -1.137 20 0 BAADRO CC[C@H]([NH3+])CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC000662784714 412302002 /nfs/dbraw/zinc/30/20/02/412302002.db2.gz WCPJSHGOJZXUNU-NKWVEPMBSA-N 1 0 214.269 -1.137 20 0 BAADRO CC[C@@H]([NH3+])CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC000662784716 412301994 /nfs/dbraw/zinc/30/19/94/412301994.db2.gz WCPJSHGOJZXUNU-RNFRBKRXSA-N 1 0 214.269 -1.137 20 0 BAADRO CC[C@@H]([NH3+])CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000662784717 412301587 /nfs/dbraw/zinc/30/15/87/412301587.db2.gz WCPJSHGOJZXUNU-RQJHMYQMSA-N 1 0 214.269 -1.137 20 0 BAADRO C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000662784725 412299984 /nfs/dbraw/zinc/29/99/84/412299984.db2.gz WGWQWQOQFUQNOE-ACZMJKKPSA-N 1 0 214.269 -1.138 20 0 BAADRO C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC000662784727 412299656 /nfs/dbraw/zinc/29/96/56/412299656.db2.gz WGWQWQOQFUQNOE-LYFYHCNISA-N 1 0 214.269 -1.138 20 0 BAADRO C[C@@H](NC(=O)[C@H]1CN(C)C(=O)N1)[C@H](C)[NH3+] ZINC000662784728 412300533 /nfs/dbraw/zinc/30/05/33/412300533.db2.gz WGWQWQOQFUQNOE-RRKCRQDMSA-N 1 0 214.269 -1.138 20 0 BAADRO C[C@@H](NC(=O)[C@@H]1CN(C)C(=O)N1)[C@H](C)[NH3+] ZINC000662784729 412300908 /nfs/dbraw/zinc/30/09/08/412300908.db2.gz WGWQWQOQFUQNOE-XVMARJQXSA-N 1 0 214.269 -1.138 20 0 BAADRO NC(=O)[C@@H]1CCCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662786329 412301960 /nfs/dbraw/zinc/30/19/60/412301960.db2.gz RUCADSBSJYADNU-SSDOTTSWSA-N 1 0 227.264 -1.955 20 0 BAADRO NC(=O)[C@H]1CCCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662786330 412301278 /nfs/dbraw/zinc/30/12/78/412301278.db2.gz RUCADSBSJYADNU-ZETCQYMHSA-N 1 0 227.264 -1.955 20 0 BAADRO CN(Cc1nccn1C)C(=O)C1(O)C[NH2+]C1 ZINC000662786743 412302077 /nfs/dbraw/zinc/30/20/77/412302077.db2.gz XFZQYCLWQFOCML-UHFFFAOYSA-N 1 0 224.264 -1.287 20 0 BAADRO CN(CCN1CCOCC1)C(=O)C1(O)C[NH2+]C1 ZINC000662787668 412303129 /nfs/dbraw/zinc/30/31/29/412303129.db2.gz AJDAJNIGUYHGHV-UHFFFAOYSA-N 1 0 243.307 -1.889 20 0 BAADRO O=C(NCCn1cccn1)C1(O)C[NH2+]C1 ZINC000662788066 412302608 /nfs/dbraw/zinc/30/26/08/412302608.db2.gz IRVZQHNBIGVZLA-UHFFFAOYSA-N 1 0 210.237 -1.666 20 0 BAADRO O=C(N1CCc2n[nH]cc2C1)C1(O)C[NH2+]C1 ZINC000662788188 412303309 /nfs/dbraw/zinc/30/33/09/412303309.db2.gz YPFKWBIMSNMLAV-UHFFFAOYSA-N 1 0 222.248 -1.371 20 0 BAADRO [NH3+][C@H]1C[C@H](C(=O)NCC(=O)N2CCOCC2)C1 ZINC000662790223 412302566 /nfs/dbraw/zinc/30/25/66/412302566.db2.gz NAPFTTPKLANBAY-KYZUINATSA-N 1 0 241.291 -1.301 20 0 BAADRO O=C(NCCCn1ccnn1)C1(O)C[NH2+]C1 ZINC000662790344 412302838 /nfs/dbraw/zinc/30/28/38/412302838.db2.gz BLRYCLNLJMJOLR-UHFFFAOYSA-N 1 0 225.252 -1.881 20 0 BAADRO CC(C)OCCNC(=O)C1(O)C[NH2+]C1 ZINC000662790385 409922012 /nfs/dbraw/zinc/92/20/12/409922012.db2.gz CEYGJTJPDQOKNB-UHFFFAOYSA-N 1 0 202.254 -1.138 20 0 BAADRO O=C(N[C@@H]1CCCC[C@H]1O)C1(O)C[NH2+]C1 ZINC000662790541 412302731 /nfs/dbraw/zinc/30/27/31/412302731.db2.gz PCNURWOVPPYNSZ-HTQZYQBOSA-N 1 0 214.265 -1.260 20 0 BAADRO Cc1c(CNC(=O)C2(O)C[NH2+]C2)cnn1C ZINC000662791096 412304377 /nfs/dbraw/zinc/30/43/77/412304377.db2.gz SJYGIMQCWXGSJV-UHFFFAOYSA-N 1 0 224.264 -1.321 20 0 BAADRO O=C(NCc1ncccc1O)C1(O)C[NH2+]C1 ZINC000662791427 412304328 /nfs/dbraw/zinc/30/43/28/412304328.db2.gz UQJBUCJFLVCSOR-UHFFFAOYSA-N 1 0 223.232 -1.262 20 0 BAADRO O=C(N[C@H]1CCCC[C@@H]1O)C1(O)C[NH2+]C1 ZINC000662792165 409921781 /nfs/dbraw/zinc/92/17/81/409921781.db2.gz PCNURWOVPPYNSZ-YUMQZZPRSA-N 1 0 214.265 -1.260 20 0 BAADRO [NH3+][C@H]1C[C@H](C(=O)NCCn2ncnn2)C1 ZINC000662792595 412304426 /nfs/dbraw/zinc/30/44/26/412304426.db2.gz GOFURNVJNZYEEG-LJGSYFOKSA-N 1 0 210.241 -1.473 20 0 BAADRO CNC(=O)CCCN(C)C(=O)C1(O)C[NH2+]C1 ZINC000662794570 412305186 /nfs/dbraw/zinc/30/51/86/412305186.db2.gz OLLPLSXVKJIMKH-UHFFFAOYSA-N 1 0 229.280 -1.695 20 0 BAADRO C[C@H](NC(=O)C1(O)C[NH2+]C1)C(=O)N(C)C ZINC000662794578 412304871 /nfs/dbraw/zinc/30/48/71/412304871.db2.gz FZQNRXDHYYMMTR-LURJTMIESA-N 1 0 215.253 -2.086 20 0 BAADRO O=C(NCCN1CCCOCC1)C1(O)C[NH2+]C1 ZINC000662797690 412304902 /nfs/dbraw/zinc/30/49/02/412304902.db2.gz NZRKCBCUKWMEHL-UHFFFAOYSA-N 1 0 243.307 -1.841 20 0 BAADRO O=C(NCc1nc2cccnc2[nH]1)C1(O)C[NH2+]C1 ZINC000662798207 412305417 /nfs/dbraw/zinc/30/54/17/412305417.db2.gz DOGAJYFIMXICBI-UHFFFAOYSA-N 1 0 247.258 -1.092 20 0 BAADRO CNC(=O)C(C)(C)CNC(=O)C1(O)C[NH2+]C1 ZINC000662798627 412305138 /nfs/dbraw/zinc/30/51/38/412305138.db2.gz FLXPJEDNMXDMTE-UHFFFAOYSA-N 1 0 229.280 -1.791 20 0 BAADRO COC[C@@H]1CN(C(=O)C2(O)C[NH2+]C2)C[C@@H](C)O1 ZINC000662799211 409928693 /nfs/dbraw/zinc/92/86/93/409928693.db2.gz UYOGDUMXPRBTIV-BDAKNGLRSA-N 1 0 244.291 -1.417 20 0 BAADRO COC[C@H]1CN(C(=O)C2(O)C[NH2+]C2)C[C@H](C)O1 ZINC000662799212 409928773 /nfs/dbraw/zinc/92/87/73/409928773.db2.gz UYOGDUMXPRBTIV-DTWKUNHWSA-N 1 0 244.291 -1.417 20 0 BAADRO COC[C@@H]1CN(C(=O)C2(O)C[NH2+]C2)C[C@H](C)O1 ZINC000662799213 409927367 /nfs/dbraw/zinc/92/73/67/409927367.db2.gz UYOGDUMXPRBTIV-IUCAKERBSA-N 1 0 244.291 -1.417 20 0 BAADRO COC[C@H]1CN(C(=O)C2(O)C[NH2+]C2)C[C@@H](C)O1 ZINC000662799214 409927609 /nfs/dbraw/zinc/92/76/09/409927609.db2.gz UYOGDUMXPRBTIV-RKDXNWHRSA-N 1 0 244.291 -1.417 20 0 BAADRO CN(CCc1cnccn1)C(=O)C1(O)C[NH2+]C1 ZINC000662799609 412306247 /nfs/dbraw/zinc/30/62/47/412306247.db2.gz XHXXMNRYRNBMCR-UHFFFAOYSA-N 1 0 236.275 -1.188 20 0 BAADRO CNC(=O)[C@H]1CN(C(=O)C2(O)C[NH2+]C2)CCO1 ZINC000662801031 409928211 /nfs/dbraw/zinc/92/82/11/409928211.db2.gz AHEACZYEEWCHLW-SSDOTTSWSA-N 1 0 243.263 -2.706 20 0 BAADRO CNC(=O)[C@@H]1CN(C(=O)C2(O)C[NH2+]C2)CCO1 ZINC000662801041 409927832 /nfs/dbraw/zinc/92/78/32/409927832.db2.gz AHEACZYEEWCHLW-ZETCQYMHSA-N 1 0 243.263 -2.706 20 0 BAADRO CN(C)c1ncc(NC(=O)C2(O)C[NH2+]C2)cn1 ZINC000662802245 412306778 /nfs/dbraw/zinc/30/67/78/412306778.db2.gz HFKFRSXWPYJBOS-UHFFFAOYSA-N 1 0 237.263 -1.185 20 0 BAADRO CCN(C)C(=O)CNC(=O)C1(O)C[NH2+]C1 ZINC000662802844 412306841 /nfs/dbraw/zinc/30/68/41/412306841.db2.gz STVPNWXMRDZDLO-UHFFFAOYSA-N 1 0 215.253 -2.085 20 0 BAADRO CN(C)C(=O)NCCN(C)C(=O)C1(O)C[NH2+]C1 ZINC000662803006 412306577 /nfs/dbraw/zinc/30/65/77/412306577.db2.gz FNLQBBYHSHQJGU-UHFFFAOYSA-N 1 0 244.295 -1.950 20 0 BAADRO CNC(=O)[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)CCO1 ZINC000662803693 412306243 /nfs/dbraw/zinc/30/62/43/412306243.db2.gz SGMIRTYOEHULOW-CIUDSAMLSA-N 1 0 241.291 -1.303 20 0 BAADRO CNC(=O)[C@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)CCO1 ZINC000662803694 412305961 /nfs/dbraw/zinc/30/59/61/412305961.db2.gz SGMIRTYOEHULOW-IWSPIJDZSA-N 1 0 241.291 -1.303 20 0 BAADRO CCN1CCCN(C(=O)C2(O)C[NH2+]C2)CC1=O ZINC000662803802 412306261 /nfs/dbraw/zinc/30/62/61/412306261.db2.gz MFJOSDQAOXXUOJ-UHFFFAOYSA-N 1 0 241.291 -1.599 20 0 BAADRO CN(C[C@H]1CCC[C@@H]1O)C(=O)C1(O)C[NH2+]C1 ZINC000662804650 412306668 /nfs/dbraw/zinc/30/66/68/412306668.db2.gz RCABBKDOSQBPHM-BDAKNGLRSA-N 1 0 228.292 -1.060 20 0 BAADRO CN(C[C@@H]1CCC[C@H]1O)C(=O)C1(O)C[NH2+]C1 ZINC000662804652 412305910 /nfs/dbraw/zinc/30/59/10/412305910.db2.gz RCABBKDOSQBPHM-DTWKUNHWSA-N 1 0 228.292 -1.060 20 0 BAADRO CN(C[C@@H]1CCC[C@@H]1O)C(=O)C1(O)C[NH2+]C1 ZINC000662804654 412306602 /nfs/dbraw/zinc/30/66/02/412306602.db2.gz RCABBKDOSQBPHM-IUCAKERBSA-N 1 0 228.292 -1.060 20 0 BAADRO CN(C[C@H]1CCC[C@H]1O)C(=O)C1(O)C[NH2+]C1 ZINC000662804655 412306593 /nfs/dbraw/zinc/30/65/93/412306593.db2.gz RCABBKDOSQBPHM-RKDXNWHRSA-N 1 0 228.292 -1.060 20 0 BAADRO CC1(C)CC[NH2+][C@@H]1C(=O)NCCOCC(N)=O ZINC000662804720 412306038 /nfs/dbraw/zinc/30/60/38/412306038.db2.gz RYGHOUFHRXZPIN-SECBINFHSA-N 1 0 243.307 -1.007 20 0 BAADRO CC1(C)CC[NH2+][C@H]1C(=O)NCCOCC(N)=O ZINC000662804721 412306646 /nfs/dbraw/zinc/30/66/46/412306646.db2.gz RYGHOUFHRXZPIN-VIFPVBQESA-N 1 0 243.307 -1.007 20 0 BAADRO Cc1cc(NC(=O)C2(O)C[NH2+]C2)cn(C)c1=O ZINC000662805350 412306583 /nfs/dbraw/zinc/30/65/83/412306583.db2.gz WZJKFQMXHVZVSV-UHFFFAOYSA-N 1 0 237.259 -1.033 20 0 BAADRO NC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662805494 412305954 /nfs/dbraw/zinc/30/59/54/412305954.db2.gz KAXFQWCAJCWKID-BWZBUEFSSA-N 1 0 226.280 -1.007 20 0 BAADRO NC(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662805495 412306106 /nfs/dbraw/zinc/30/61/06/412306106.db2.gz KAXFQWCAJCWKID-FXQIFTODSA-N 1 0 226.280 -1.007 20 0 BAADRO CC(C)C(=O)NCCN(C)C(=O)C1(O)C[NH2+]C1 ZINC000662805496 412306895 /nfs/dbraw/zinc/30/68/95/412306895.db2.gz KBRKTDICLZJGES-UHFFFAOYSA-N 1 0 243.307 -1.449 20 0 BAADRO O=C(CNC(=O)C1(O)C[NH2+]C1)NCC1CC1 ZINC000662806770 412307324 /nfs/dbraw/zinc/30/73/24/412307324.db2.gz FWLXIDLIFMQATE-UHFFFAOYSA-N 1 0 227.264 -2.037 20 0 BAADRO C[C@H](NC(=O)C1(O)C[NH2+]C1)c1cn[nH]c1 ZINC000662807569 412307540 /nfs/dbraw/zinc/30/75/40/412307540.db2.gz YZAWBQFANRMQTB-LURJTMIESA-N 1 0 210.237 -1.079 20 0 BAADRO C[C@@H](NC(=O)C1(O)C[NH2+]C1)c1cn[nH]c1 ZINC000662807571 412306125 /nfs/dbraw/zinc/30/61/25/412306125.db2.gz YZAWBQFANRMQTB-ZCFIWIBFSA-N 1 0 210.237 -1.079 20 0 BAADRO CCO[C@@H]1C[C@H](NC(=O)C2(O)C[NH2+]C2)[C@H]1OC ZINC000662808350 412307769 /nfs/dbraw/zinc/30/77/69/412307769.db2.gz JUIFNJPGLBJOMI-DJLDLDEBSA-N 1 0 244.291 -1.371 20 0 BAADRO CCO[C@@H]1C[C@@H](NC(=O)C2(O)C[NH2+]C2)[C@@H]1OC ZINC000662808351 412307742 /nfs/dbraw/zinc/30/77/42/412307742.db2.gz JUIFNJPGLBJOMI-HLTSFMKQSA-N 1 0 244.291 -1.371 20 0 BAADRO CCO[C@@H]1C[C@@H](NC(=O)C2(O)C[NH2+]C2)[C@H]1OC ZINC000662808352 412307847 /nfs/dbraw/zinc/30/78/47/412307847.db2.gz JUIFNJPGLBJOMI-IWSPIJDZSA-N 1 0 244.291 -1.371 20 0 BAADRO CCO[C@@H]1C[C@H](NC(=O)C2(O)C[NH2+]C2)[C@@H]1OC ZINC000662808353 412307521 /nfs/dbraw/zinc/30/75/21/412307521.db2.gz JUIFNJPGLBJOMI-YIZRAAEISA-N 1 0 244.291 -1.371 20 0 BAADRO CO[C@@H](C)[C@H](C)NC(=O)C1(O)C[NH2+]C1 ZINC000662810289 412307652 /nfs/dbraw/zinc/30/76/52/412307652.db2.gz QDIQGFFQZQYPAK-BQBZGAKWSA-N 1 0 202.254 -1.140 20 0 BAADRO CO[C@H](C)[C@H](C)NC(=O)C1(O)C[NH2+]C1 ZINC000662810290 412307557 /nfs/dbraw/zinc/30/75/57/412307557.db2.gz QDIQGFFQZQYPAK-NKWVEPMBSA-N 1 0 202.254 -1.140 20 0 BAADRO C[C@H](NC(=O)C1(O)C[NH2+]C1)C(=O)N1CCCC1 ZINC000662810496 412307836 /nfs/dbraw/zinc/30/78/36/412307836.db2.gz BAZRVUXWCQYFHM-QMMMGPOBSA-N 1 0 241.291 -1.552 20 0 BAADRO O=C(N1CCC[C@H]2C(=O)NC[C@H]21)C1(O)C[NH2+]C1 ZINC000662811300 412307630 /nfs/dbraw/zinc/30/76/30/412307630.db2.gz IIGRPBXWBMCOJT-HTQZYQBOSA-N 1 0 239.275 -1.942 20 0 BAADRO CCN(C)C(=O)[C@@H](C)NC(=O)C1(O)C[NH2+]C1 ZINC000662811454 412307994 /nfs/dbraw/zinc/30/79/94/412307994.db2.gz ZFCPNLIWMFEJPY-SSDOTTSWSA-N 1 0 229.280 -1.696 20 0 BAADRO CCN(C)C(=O)[C@H](C)NC(=O)C1(O)C[NH2+]C1 ZINC000662811455 412306253 /nfs/dbraw/zinc/30/62/53/412306253.db2.gz ZFCPNLIWMFEJPY-ZETCQYMHSA-N 1 0 229.280 -1.696 20 0 BAADRO CN(CC[NH3+])C(=O)[C@@H]1CN(C)C(=O)N1 ZINC000662813866 412308477 /nfs/dbraw/zinc/30/84/77/412308477.db2.gz MYFLIOJOFNALRC-LURJTMIESA-N 1 0 200.242 -1.573 20 0 BAADRO CN(CC[NH3+])C(=O)[C@H]1CN(C)C(=O)N1 ZINC000662813867 412309121 /nfs/dbraw/zinc/30/91/21/412309121.db2.gz MYFLIOJOFNALRC-ZCFIWIBFSA-N 1 0 200.242 -1.573 20 0 BAADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CN(C)C(=O)N1 ZINC000662814293 412309078 /nfs/dbraw/zinc/30/90/78/412309078.db2.gz HEMPUDFQVWDKRX-BIIVOSGPSA-N 1 0 226.280 -1.042 20 0 BAADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CN(C)C(=O)N1 ZINC000662814294 412308474 /nfs/dbraw/zinc/30/84/74/412308474.db2.gz HEMPUDFQVWDKRX-FXQIFTODSA-N 1 0 226.280 -1.042 20 0 BAADRO CN(CC[NH3+])C(=O)C1(n2cnnn2)CC1 ZINC000662814870 412308902 /nfs/dbraw/zinc/30/89/02/412308902.db2.gz RAIFFCQIBSQUOD-UHFFFAOYSA-N 1 0 210.241 -1.421 20 0 BAADRO CN1C[C@H](C(=O)NC[C@H]2C[NH2+]CCO2)NC1=O ZINC000662816069 412308690 /nfs/dbraw/zinc/30/86/90/412308690.db2.gz WOALTNFBENOCRE-HTQZYQBOSA-N 1 0 242.279 -1.885 20 0 BAADRO CN1C[C@H](C(=O)NC[C@@H]2C[NH2+]CCO2)NC1=O ZINC000662816071 412309110 /nfs/dbraw/zinc/30/91/10/412309110.db2.gz WOALTNFBENOCRE-JGVFFNPUSA-N 1 0 242.279 -1.885 20 0 BAADRO CN1C[C@@H](C(=O)NC[C@H]2C[NH2+]CCO2)NC1=O ZINC000662816072 412308719 /nfs/dbraw/zinc/30/87/19/412308719.db2.gz WOALTNFBENOCRE-SFYZADRCSA-N 1 0 242.279 -1.885 20 0 BAADRO CN1C[C@@H](C(=O)NC[C@@H]2C[NH2+]CCO2)NC1=O ZINC000662816074 412309105 /nfs/dbraw/zinc/30/91/05/412309105.db2.gz WOALTNFBENOCRE-YUMQZZPRSA-N 1 0 242.279 -1.885 20 0 BAADRO O=C(N1CC[C@@H]2OCC[C@@H]2C1)C1(O)C[NH2+]C1 ZINC000662820203 412311142 /nfs/dbraw/zinc/31/11/42/412311142.db2.gz PCRXEVIMTOPIBD-BDAKNGLRSA-N 1 0 226.276 -1.042 20 0 BAADRO CCN1C[C@H](NC(=O)C2(O)C[NH2+]C2)CC1=O ZINC000662822907 412312049 /nfs/dbraw/zinc/31/20/49/412312049.db2.gz FJKOQVDPPLVFEO-SSDOTTSWSA-N 1 0 227.264 -1.942 20 0 BAADRO CCN1C[C@@H](NC(=O)C2(O)C[NH2+]C2)CC1=O ZINC000662822908 412311737 /nfs/dbraw/zinc/31/17/37/412311737.db2.gz FJKOQVDPPLVFEO-ZETCQYMHSA-N 1 0 227.264 -1.942 20 0 BAADRO CC(=O)NCCN(C)C(=O)C1(O)C[NH2+]C1 ZINC000662823487 412312173 /nfs/dbraw/zinc/31/21/73/412312173.db2.gz QGCKASYGDBIFAK-UHFFFAOYSA-N 1 0 215.253 -2.085 20 0 BAADRO C[C@H]1C[C@H](NC(=O)C2(O)C[NH2+]C2)CO1 ZINC000662823800 412311895 /nfs/dbraw/zinc/31/18/95/412311895.db2.gz IRFODWSQXLBGTJ-BQBZGAKWSA-N 1 0 200.238 -1.386 20 0 BAADRO C[C@H]1C[C@@H](NC(=O)C2(O)C[NH2+]C2)CO1 ZINC000662823801 412312019 /nfs/dbraw/zinc/31/20/19/412312019.db2.gz IRFODWSQXLBGTJ-NKWVEPMBSA-N 1 0 200.238 -1.386 20 0 BAADRO C[C@@H]1C[C@@H](NC(=O)C2(O)C[NH2+]C2)CO1 ZINC000662823803 412312199 /nfs/dbraw/zinc/31/21/99/412312199.db2.gz IRFODWSQXLBGTJ-RNFRBKRXSA-N 1 0 200.238 -1.386 20 0 BAADRO C[C@@H]1C[C@H](NC(=O)C2(O)C[NH2+]C2)CO1 ZINC000662823805 412311930 /nfs/dbraw/zinc/31/19/30/412311930.db2.gz IRFODWSQXLBGTJ-RQJHMYQMSA-N 1 0 200.238 -1.386 20 0 BAADRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)C1(O)C[NH2+]C1 ZINC000662828424 412313757 /nfs/dbraw/zinc/31/37/57/412313757.db2.gz JJXHREJUWJNSBB-PRJMDXOYSA-N 1 0 212.249 -1.243 20 0 BAADRO O=C(NCCN1CCCC1=O)C1(O)C[NH2+]C1 ZINC000662829244 412313763 /nfs/dbraw/zinc/31/37/63/412313763.db2.gz BBSVBWNULSKVRE-UHFFFAOYSA-N 1 0 227.264 -1.941 20 0 BAADRO CCN1C[C@@H](CNC(=O)C2(O)C[NH2+]C2)CC1=O ZINC000662829714 412314344 /nfs/dbraw/zinc/31/43/44/412314344.db2.gz GAMLYZWBVBDTSZ-MRVPVSSYSA-N 1 0 241.291 -1.695 20 0 BAADRO CCN1C[C@H](CNC(=O)C2(O)C[NH2+]C2)CC1=O ZINC000662829715 412313913 /nfs/dbraw/zinc/31/39/13/412313913.db2.gz GAMLYZWBVBDTSZ-QMMMGPOBSA-N 1 0 241.291 -1.695 20 0 BAADRO O=C(N1CCC(CCO)CC1)C1(O)C[NH2+]C1 ZINC000662830422 412314271 /nfs/dbraw/zinc/31/42/71/412314271.db2.gz LGSWTXKOUJGDSW-UHFFFAOYSA-N 1 0 228.292 -1.058 20 0 BAADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662834496 412315601 /nfs/dbraw/zinc/31/56/01/412315601.db2.gz VSJFNURNFPERED-DTORHVGOSA-N 1 0 227.308 -1.223 20 0 BAADRO CN(Cc1c[nH]cn1)C(=O)C1(O)C[NH2+]C1 ZINC000662839388 412317292 /nfs/dbraw/zinc/31/72/92/412317292.db2.gz QWCNZJNAGHTDFT-UHFFFAOYSA-N 1 0 210.237 -1.298 20 0 BAADRO CNS(=O)(=O)CC(=O)N(C)CC(C)(C)[NH3+] ZINC000662841799 412313716 /nfs/dbraw/zinc/31/37/16/412313716.db2.gz BFHSEMFYGBMZES-UHFFFAOYSA-N 1 0 237.325 -1.269 20 0 BAADRO CN(CC(C)(C)[NH3+])C(=O)Cn1cnnn1 ZINC000662843012 412318964 /nfs/dbraw/zinc/31/89/64/412318964.db2.gz PBXKWCLWVQVKOE-UHFFFAOYSA-N 1 0 212.257 -1.131 20 0 BAADRO CO[C@@H](CNC(=O)C1(O)C[NH2+]C1)[C@@H]1CCOC1 ZINC000662847277 412320146 /nfs/dbraw/zinc/32/01/46/412320146.db2.gz ZHUPNQHQAVCEAS-BDAKNGLRSA-N 1 0 244.291 -1.512 20 0 BAADRO CO[C@H](CNC(=O)C1(O)C[NH2+]C1)[C@H]1CCOC1 ZINC000662847278 412319611 /nfs/dbraw/zinc/31/96/11/412319611.db2.gz ZHUPNQHQAVCEAS-DTWKUNHWSA-N 1 0 244.291 -1.512 20 0 BAADRO CO[C@@H](CNC(=O)C1(O)C[NH2+]C1)[C@H]1CCOC1 ZINC000662847279 412319653 /nfs/dbraw/zinc/31/96/53/412319653.db2.gz ZHUPNQHQAVCEAS-IUCAKERBSA-N 1 0 244.291 -1.512 20 0 BAADRO CO[C@H](CNC(=O)C1(O)C[NH2+]C1)[C@@H]1CCOC1 ZINC000662847280 412320265 /nfs/dbraw/zinc/32/02/65/412320265.db2.gz ZHUPNQHQAVCEAS-RKDXNWHRSA-N 1 0 244.291 -1.512 20 0 BAADRO COC[C@@H](CCNC(=O)C1(O)C[NH2+]C1)OC ZINC000662847889 412318986 /nfs/dbraw/zinc/31/89/86/412318986.db2.gz ONLOKPUJTTWPFM-MRVPVSSYSA-N 1 0 232.280 -1.512 20 0 BAADRO COC[C@H](CCNC(=O)C1(O)C[NH2+]C1)OC ZINC000662847890 412318744 /nfs/dbraw/zinc/31/87/44/412318744.db2.gz ONLOKPUJTTWPFM-QMMMGPOBSA-N 1 0 232.280 -1.512 20 0 BAADRO COCC1(N(C)C(=O)CNC(=O)C[NH3+])CC1 ZINC000662848961 412321784 /nfs/dbraw/zinc/32/17/84/412321784.db2.gz CXBCSVCETKIVMW-UHFFFAOYSA-N 1 0 229.280 -1.301 20 0 BAADRO CC(=O)N[C@@H]1CCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662853917 412323839 /nfs/dbraw/zinc/32/38/39/412323839.db2.gz ULMXYNKIBIHTEI-MRVPVSSYSA-N 1 0 227.264 -1.942 20 0 BAADRO CC(=O)N[C@H]1CCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662853918 412324599 /nfs/dbraw/zinc/32/45/99/412324599.db2.gz ULMXYNKIBIHTEI-QMMMGPOBSA-N 1 0 227.264 -1.942 20 0 BAADRO O=C(N[C@H](CO)C1CCC1)C1(O)C[NH2+]C1 ZINC000662854749 412323938 /nfs/dbraw/zinc/32/39/38/412323938.db2.gz USTLUXURBYKYII-MRVPVSSYSA-N 1 0 214.265 -1.402 20 0 BAADRO O=C(N[C@@H](CO)C1CCC1)C1(O)C[NH2+]C1 ZINC000662854752 412323945 /nfs/dbraw/zinc/32/39/45/412323945.db2.gz USTLUXURBYKYII-QMMMGPOBSA-N 1 0 214.265 -1.402 20 0 BAADRO O=C(NC/C=C\CO)[C@]12C[NH2+]C[C@H]1COC2 ZINC000662859866 412327733 /nfs/dbraw/zinc/32/77/33/412327733.db2.gz PFWVPOHNOQNABE-GIVIPLFCSA-N 1 0 226.276 -1.113 20 0 BAADRO O=C(NC/C=C/CO)[C@]12C[NH2+]C[C@H]1COC2 ZINC000662859868 412327767 /nfs/dbraw/zinc/32/77/67/412327767.db2.gz PFWVPOHNOQNABE-QVTLRLSPSA-N 1 0 226.276 -1.113 20 0 BAADRO O=C(NCCO[C@H]1CC1(F)F)C1(O)C[NH2+]C1 ZINC000662861741 412327688 /nfs/dbraw/zinc/32/76/88/412327688.db2.gz SAGJRVYDLQIWOK-LURJTMIESA-N 1 0 236.218 -1.139 20 0 BAADRO O=C(NCCO[C@@H]1CC1(F)F)C1(O)C[NH2+]C1 ZINC000662861765 412328159 /nfs/dbraw/zinc/32/81/59/412328159.db2.gz SAGJRVYDLQIWOK-ZCFIWIBFSA-N 1 0 236.218 -1.139 20 0 BAADRO CNS(=O)(=O)CC(=O)NCC1([NH3+])CCCC1 ZINC000662864772 412329820 /nfs/dbraw/zinc/32/98/20/412329820.db2.gz GLPBHCNZJQDLIT-UHFFFAOYSA-N 1 0 249.336 -1.077 20 0 BAADRO [NH3+]CC(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000662871384 412330990 /nfs/dbraw/zinc/33/09/90/412330990.db2.gz ZICSCTHOJOSNRX-SECBINFHSA-N 1 0 213.281 -1.122 20 0 BAADRO [NH3+]CC(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000662871385 412331087 /nfs/dbraw/zinc/33/10/87/412331087.db2.gz ZICSCTHOJOSNRX-VIFPVBQESA-N 1 0 213.281 -1.122 20 0 BAADRO [NH3+]CC12CC(C1)CN2C(=O)Cn1cnnn1 ZINC000662875094 412331973 /nfs/dbraw/zinc/33/19/73/412331973.db2.gz BLZCIWQWQRHNMI-UHFFFAOYSA-N 1 0 222.252 -1.377 20 0 BAADRO CN1C[C@H](C(=O)N2CC3CC2(C[NH3+])C3)NC1=O ZINC000662875214 412331849 /nfs/dbraw/zinc/33/18/49/412331849.db2.gz GWILXVCKKNGVDN-JKDSDDBFSA-N 1 0 238.291 -1.040 20 0 BAADRO CN1C[C@@H](C(=O)N2CC3CC2(C[NH3+])C3)NC1=O ZINC000662875216 412331948 /nfs/dbraw/zinc/33/19/48/412331948.db2.gz GWILXVCKKNGVDN-KAIZJQOQSA-N 1 0 238.291 -1.040 20 0 BAADRO CN(C[C@@H]1COCCO1)C(=O)C1(O)C[NH2+]C1 ZINC000662875255 412331770 /nfs/dbraw/zinc/33/17/70/412331770.db2.gz USRAWGQMMGOWKE-MRVPVSSYSA-N 1 0 230.264 -1.806 20 0 BAADRO CN(C[C@H]1COCCO1)C(=O)C1(O)C[NH2+]C1 ZINC000662875257 412332311 /nfs/dbraw/zinc/33/23/11/412332311.db2.gz USRAWGQMMGOWKE-QMMMGPOBSA-N 1 0 230.264 -1.806 20 0 BAADRO [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1COCCN1 ZINC000662876731 412333368 /nfs/dbraw/zinc/33/33/68/412333368.db2.gz HNKBSVYGMRVOQR-YUCVTWSNSA-N 1 0 225.292 -1.076 20 0 BAADRO C[C@@H]1CN(C(=O)C[NH3+])CCN1S(C)(=O)=O ZINC000662879784 412318600 /nfs/dbraw/zinc/31/86/00/412318600.db2.gz OIWIHFGFCYOEPW-SSDOTTSWSA-N 1 0 235.309 -1.563 20 0 BAADRO C[C@@]12COC[C@H]1CN(C(=O)C1(O)C[NH2+]C1)C2 ZINC000662880738 412334672 /nfs/dbraw/zinc/33/46/72/412334672.db2.gz PSUPWTGIDDBIRJ-PSASIEDQSA-N 1 0 226.276 -1.184 20 0 BAADRO C[C@]12COC[C@H]1CN(C(=O)C1(O)C[NH2+]C1)C2 ZINC000662880739 412335257 /nfs/dbraw/zinc/33/52/57/412335257.db2.gz PSUPWTGIDDBIRJ-SCZZXKLOSA-N 1 0 226.276 -1.184 20 0 BAADRO C[C@@]12COC[C@@H]1CN(C(=O)C1(O)C[NH2+]C1)C2 ZINC000662880740 412334299 /nfs/dbraw/zinc/33/42/99/412334299.db2.gz PSUPWTGIDDBIRJ-WCBMZHEXSA-N 1 0 226.276 -1.184 20 0 BAADRO C[C@]12COC[C@@H]1CN(C(=O)C1(O)C[NH2+]C1)C2 ZINC000662880742 412334312 /nfs/dbraw/zinc/33/43/12/412334312.db2.gz PSUPWTGIDDBIRJ-WPRPVWTQSA-N 1 0 226.276 -1.184 20 0 BAADRO CN1CCN(C(=O)C2(O)C[NH2+]C2)CCC1=O ZINC000662887877 412335712 /nfs/dbraw/zinc/33/57/12/412335712.db2.gz TUCIYKCVBBKZLJ-UHFFFAOYSA-N 1 0 227.264 -1.989 20 0 BAADRO C[C@@]1(C(N)=O)CCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662902410 412341136 /nfs/dbraw/zinc/34/11/36/412341136.db2.gz IPQSLAOFDAUYEB-SECBINFHSA-N 1 0 227.264 -1.955 20 0 BAADRO C[C@]1(C(N)=O)CCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662902411 412341465 /nfs/dbraw/zinc/34/14/65/412341465.db2.gz IPQSLAOFDAUYEB-VIFPVBQESA-N 1 0 227.264 -1.955 20 0 BAADRO CCC[N@@H+]1CC[C@@H](NC(=O)C2(O)C[NH2+]C2)C1 ZINC000662910098 412342592 /nfs/dbraw/zinc/34/25/92/412342592.db2.gz KJXGLBALKAURLQ-SECBINFHSA-N 1 0 227.308 -1.079 20 0 BAADRO CCC[N@@H+]1CC[C@H](NC(=O)C2(O)C[NH2+]C2)C1 ZINC000662910099 412342365 /nfs/dbraw/zinc/34/23/65/412342365.db2.gz KJXGLBALKAURLQ-VIFPVBQESA-N 1 0 227.308 -1.079 20 0 BAADRO CN(CCC[NH3+])C(=O)C(=O)N1CCC[C@@H](O)C1 ZINC000662918620 412346246 /nfs/dbraw/zinc/34/62/46/412346246.db2.gz GQNZAKORRCMQTK-SECBINFHSA-N 1 0 243.307 -1.223 20 0 BAADRO CN(CCC[NH3+])C(=O)C(=O)N1CCC[C@H](O)C1 ZINC000662918621 412346263 /nfs/dbraw/zinc/34/62/63/412346263.db2.gz GQNZAKORRCMQTK-VIFPVBQESA-N 1 0 243.307 -1.223 20 0 BAADRO CN(CCC[NH3+])C(=O)C(=O)N1CCNC(=O)C1 ZINC000662919793 412346384 /nfs/dbraw/zinc/34/63/84/412346384.db2.gz YVZJTQRWMCNMHG-UHFFFAOYSA-N 1 0 242.279 -2.248 20 0 BAADRO CN(CCC[NH3+])C(=O)C(=O)N1CCOCC1 ZINC000662919885 412346391 /nfs/dbraw/zinc/34/63/91/412346391.db2.gz OQKWKYKIPIHJQU-UHFFFAOYSA-N 1 0 229.280 -1.348 20 0 BAADRO O=C(N1CC[C@@H]2COC[C@@H]2C1)C1(O)C[NH2+]C1 ZINC000662920103 412342728 /nfs/dbraw/zinc/34/27/28/412342728.db2.gz SVYLTDSMMNFONY-BDAKNGLRSA-N 1 0 226.276 -1.184 20 0 BAADRO O=C(N1CC[C@H]2COC[C@H]2C1)C1(O)C[NH2+]C1 ZINC000662920104 412342331 /nfs/dbraw/zinc/34/23/31/412342331.db2.gz SVYLTDSMMNFONY-DTWKUNHWSA-N 1 0 226.276 -1.184 20 0 BAADRO O=C(N1CC[C@H]2COC[C@@H]2C1)C1(O)C[NH2+]C1 ZINC000662920105 412342288 /nfs/dbraw/zinc/34/22/88/412342288.db2.gz SVYLTDSMMNFONY-IUCAKERBSA-N 1 0 226.276 -1.184 20 0 BAADRO O=C(N1CC[C@@H]2COC[C@H]2C1)C1(O)C[NH2+]C1 ZINC000662920106 412342252 /nfs/dbraw/zinc/34/22/52/412342252.db2.gz SVYLTDSMMNFONY-RKDXNWHRSA-N 1 0 226.276 -1.184 20 0 BAADRO COCCN(C)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662922305 412346381 /nfs/dbraw/zinc/34/63/81/412346381.db2.gz KZWJWDOTMIHWBE-UHFFFAOYSA-N 1 0 231.296 -1.102 20 0 BAADRO CN1C[C@H](C(=O)NCC23CC(C2)C[NH2+]3)NC1=O ZINC000662923840 412346700 /nfs/dbraw/zinc/34/67/00/412346700.db2.gz SWOYXXJYYKGSBS-JKDSDDBFSA-N 1 0 238.291 -1.122 20 0 BAADRO CN1C[C@@H](C(=O)NCC23CC(C2)C[NH2+]3)NC1=O ZINC000662923841 412346791 /nfs/dbraw/zinc/34/67/91/412346791.db2.gz SWOYXXJYYKGSBS-KAIZJQOQSA-N 1 0 238.291 -1.122 20 0 BAADRO O=C(Cn1cnnn1)NCC12CC(C1)C[NH2+]2 ZINC000662924692 412346748 /nfs/dbraw/zinc/34/67/48/412346748.db2.gz HQNYQWDMKVQFLG-UHFFFAOYSA-N 1 0 222.252 -1.459 20 0 BAADRO CN(CCC[NH3+])C(=O)C(=O)N1CCC[C@H]1CO ZINC000662928966 412348244 /nfs/dbraw/zinc/34/82/44/412348244.db2.gz XLBKTAAPOLQUCN-VIFPVBQESA-N 1 0 243.307 -1.223 20 0 BAADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC(CO)C1 ZINC000662934495 412350132 /nfs/dbraw/zinc/35/01/32/412350132.db2.gz ODALCYQVBWSKQH-UHFFFAOYSA-N 1 0 243.307 -1.367 20 0 BAADRO CN1C[C@H](C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)NC1=O ZINC000662945346 412350637 /nfs/dbraw/zinc/35/06/37/412350637.db2.gz OAHCVFGDOFMOBI-BWZBUEFSSA-N 1 0 244.270 -1.092 20 0 BAADRO CN1C[C@@H](C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)NC1=O ZINC000662945347 412351302 /nfs/dbraw/zinc/35/13/02/412351302.db2.gz OAHCVFGDOFMOBI-PRJMDXOYSA-N 1 0 244.270 -1.092 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)CN1CCNCC1=O ZINC000662954786 412353937 /nfs/dbraw/zinc/35/39/37/412353937.db2.gz ZUHLINPMIREFQN-MRVPVSSYSA-N 1 0 228.296 -1.858 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)CN1CCNCC1=O ZINC000662954787 412353770 /nfs/dbraw/zinc/35/37/70/412353770.db2.gz ZUHLINPMIREFQN-QMMMGPOBSA-N 1 0 228.296 -1.858 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)CN1CCCS1(=O)=O ZINC000662958479 412353389 /nfs/dbraw/zinc/35/33/89/412353389.db2.gz DPQDFOXTIFTTPQ-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)CN1CCCS1(=O)=O ZINC000662958480 412353456 /nfs/dbraw/zinc/35/34/56/412353456.db2.gz DPQDFOXTIFTTPQ-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC000662959439 412354959 /nfs/dbraw/zinc/35/49/59/412354959.db2.gz HFDVBKAMMBBHCG-BQBZGAKWSA-N 1 0 237.325 -1.352 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC000662959440 412354971 /nfs/dbraw/zinc/35/49/71/412354971.db2.gz HFDVBKAMMBBHCG-NKWVEPMBSA-N 1 0 237.325 -1.352 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC000662959441 412354646 /nfs/dbraw/zinc/35/46/46/412354646.db2.gz HFDVBKAMMBBHCG-RNFRBKRXSA-N 1 0 237.325 -1.352 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC000662959442 412354804 /nfs/dbraw/zinc/35/48/04/412354804.db2.gz HFDVBKAMMBBHCG-RQJHMYQMSA-N 1 0 237.325 -1.352 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC000662959787 412354655 /nfs/dbraw/zinc/35/46/55/412354655.db2.gz KFRYNSYWOSGLLE-SSDOTTSWSA-N 1 0 237.325 -1.398 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC000662959788 412355025 /nfs/dbraw/zinc/35/50/25/412355025.db2.gz KFRYNSYWOSGLLE-ZETCQYMHSA-N 1 0 237.325 -1.398 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)CCNS(C)(=O)=O ZINC000662961093 412351034 /nfs/dbraw/zinc/35/10/34/412351034.db2.gz RZEXGBPTFSOORF-SSDOTTSWSA-N 1 0 237.325 -1.350 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)CCNS(C)(=O)=O ZINC000662961095 412351040 /nfs/dbraw/zinc/35/10/40/412351040.db2.gz RZEXGBPTFSOORF-ZETCQYMHSA-N 1 0 237.325 -1.350 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)CN(C)C(=O)COC ZINC000662964947 487773611 /nfs/dbraw/zinc/77/36/11/487773611.db2.gz JRAKUJZCCFVWDS-MRVPVSSYSA-N 1 0 231.296 -1.185 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)CN(C)C(=O)COC ZINC000662964953 487773771 /nfs/dbraw/zinc/77/37/71/487773771.db2.gz JRAKUJZCCFVWDS-QMMMGPOBSA-N 1 0 231.296 -1.185 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC000662966264 412357584 /nfs/dbraw/zinc/35/75/84/412357584.db2.gz WMDXQZOKINGSPX-SSDOTTSWSA-N 1 0 237.325 -1.398 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC000662966265 412357413 /nfs/dbraw/zinc/35/74/13/412357413.db2.gz WMDXQZOKINGSPX-ZETCQYMHSA-N 1 0 237.325 -1.398 20 0 BAADRO CCS(=O)(=O)NCC(=O)N[C@H](C)C[NH2+]C ZINC000662966537 490245150 /nfs/dbraw/zinc/24/51/50/490245150.db2.gz ZMNKXHKDOICYEO-SSDOTTSWSA-N 1 0 237.325 -1.350 20 0 BAADRO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[NH2+]C ZINC000662966538 490244909 /nfs/dbraw/zinc/24/49/09/490244909.db2.gz ZMNKXHKDOICYEO-ZETCQYMHSA-N 1 0 237.325 -1.350 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC000662966859 412358297 /nfs/dbraw/zinc/35/82/97/412358297.db2.gz DAERMEIIARHWAS-SSDOTTSWSA-N 1 0 227.268 -1.694 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC000662966860 412358488 /nfs/dbraw/zinc/35/84/88/412358488.db2.gz DAERMEIIARHWAS-ZETCQYMHSA-N 1 0 227.268 -1.694 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)c1nc2n(n1)CCCN2 ZINC000662966912 490245904 /nfs/dbraw/zinc/24/59/04/490245904.db2.gz DNCBOLSEHVSHTJ-SSDOTTSWSA-N 1 0 238.295 -1.311 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)c1nc2n(n1)CCCN2 ZINC000662966917 490245926 /nfs/dbraw/zinc/24/59/26/490245926.db2.gz DNCBOLSEHVSHTJ-ZETCQYMHSA-N 1 0 238.295 -1.311 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCN(C)S1(=O)=O ZINC000662967517 412359087 /nfs/dbraw/zinc/35/90/87/412359087.db2.gz LNRCIPKNVAJHHV-HTQZYQBOSA-N 1 0 249.336 -1.256 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)[C@H]1CCN(C)S1(=O)=O ZINC000662967518 412358260 /nfs/dbraw/zinc/35/82/60/412358260.db2.gz LNRCIPKNVAJHHV-JGVFFNPUSA-N 1 0 249.336 -1.256 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000662967519 412358401 /nfs/dbraw/zinc/35/84/01/412358401.db2.gz LNRCIPKNVAJHHV-SFYZADRCSA-N 1 0 249.336 -1.256 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000662967520 412358509 /nfs/dbraw/zinc/35/85/09/412358509.db2.gz LNRCIPKNVAJHHV-YUMQZZPRSA-N 1 0 249.336 -1.256 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)Cn1nc(C)n(C)c1=O ZINC000662968206 412359519 /nfs/dbraw/zinc/35/95/19/412359519.db2.gz GSUXXLPRWNTNCF-SSDOTTSWSA-N 1 0 241.295 -1.386 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)Cn1nc(C)n(C)c1=O ZINC000662968207 412359821 /nfs/dbraw/zinc/35/98/21/412359821.db2.gz GSUXXLPRWNTNCF-ZETCQYMHSA-N 1 0 241.295 -1.386 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000662969852 412360904 /nfs/dbraw/zinc/36/09/04/412360904.db2.gz RCNLZOMXMQKYDA-BQBZGAKWSA-N 1 0 214.269 -1.266 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC000662969853 412360383 /nfs/dbraw/zinc/36/03/83/412360383.db2.gz RCNLZOMXMQKYDA-NKWVEPMBSA-N 1 0 214.269 -1.266 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC000662969854 412360452 /nfs/dbraw/zinc/36/04/52/412360452.db2.gz RCNLZOMXMQKYDA-RNFRBKRXSA-N 1 0 214.269 -1.266 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000662969855 412360502 /nfs/dbraw/zinc/36/05/02/412360502.db2.gz RCNLZOMXMQKYDA-RQJHMYQMSA-N 1 0 214.269 -1.266 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)C1(n2cnnn2)CC1 ZINC000662970027 409999415 /nfs/dbraw/zinc/99/94/15/409999415.db2.gz STDQHKIMLRTCMG-SSDOTTSWSA-N 1 0 224.268 -1.114 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)C1(n2cnnn2)CC1 ZINC000662970028 409998053 /nfs/dbraw/zinc/99/80/53/409998053.db2.gz STDQHKIMLRTCMG-ZETCQYMHSA-N 1 0 224.268 -1.114 20 0 BAADRO CN(CCO)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662977134 412361402 /nfs/dbraw/zinc/36/14/02/412361402.db2.gz JHPWAWYWNGJKAW-UHFFFAOYSA-N 1 0 241.291 -1.613 20 0 BAADRO CN(CCO)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662989630 412363794 /nfs/dbraw/zinc/36/37/94/412363794.db2.gz KSULFLZBDCGPRQ-HTQZYQBOSA-N 1 0 247.270 -1.665 20 0 BAADRO CCn1nccc1CNC(=O)C1(O)C[NH2+]C1 ZINC000663001628 412366534 /nfs/dbraw/zinc/36/65/34/412366534.db2.gz WIHFSAWQZXODRY-UHFFFAOYSA-N 1 0 224.264 -1.147 20 0 BAADRO C[C@@]1(NC(=O)CN2CCNCC2=O)CC[NH2+]C1 ZINC000663002965 490276261 /nfs/dbraw/zinc/27/62/61/490276261.db2.gz APXYPZMZLTZEHG-LLVKDONJSA-N 1 0 240.307 -1.714 20 0 BAADRO C[C@]1(NC(=O)CN2CCNCC2=O)CC[NH2+]C1 ZINC000663002966 490276499 /nfs/dbraw/zinc/27/64/99/490276499.db2.gz APXYPZMZLTZEHG-NSHDSACASA-N 1 0 240.307 -1.714 20 0 BAADRO O=C(NCCOCCF)C1(O)C[NH2+]C1 ZINC000663005883 487805066 /nfs/dbraw/zinc/80/50/66/487805066.db2.gz ZHEPEMBIMLBKTN-UHFFFAOYSA-N 1 0 206.217 -1.577 20 0 BAADRO CN(CC(=O)N[C@]1(C)CC[NH2+]C1)S(C)(=O)=O ZINC000663007783 412369119 /nfs/dbraw/zinc/36/91/19/412369119.db2.gz FDZYIQYOCAYEAI-SECBINFHSA-N 1 0 249.336 -1.254 20 0 BAADRO CN(CC(=O)N[C@@]1(C)CC[NH2+]C1)S(C)(=O)=O ZINC000663007784 412369149 /nfs/dbraw/zinc/36/91/49/412369149.db2.gz FDZYIQYOCAYEAI-VIFPVBQESA-N 1 0 249.336 -1.254 20 0 BAADRO C[C@@]1(NC(=O)CCNS(C)(=O)=O)CC[NH2+]C1 ZINC000663008828 412368753 /nfs/dbraw/zinc/36/87/53/412368753.db2.gz OVFWKDZTDGXKKO-SECBINFHSA-N 1 0 249.336 -1.206 20 0 BAADRO C[C@]1(NC(=O)CCNS(C)(=O)=O)CC[NH2+]C1 ZINC000663008830 412368795 /nfs/dbraw/zinc/36/87/95/412368795.db2.gz OVFWKDZTDGXKKO-VIFPVBQESA-N 1 0 249.336 -1.206 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663009394 412368684 /nfs/dbraw/zinc/36/86/84/412368684.db2.gz SZAKKHMJFLMKAC-APPZFPTMSA-N 1 0 249.336 -1.208 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663009396 412368698 /nfs/dbraw/zinc/36/86/98/412368698.db2.gz SZAKKHMJFLMKAC-CBAPKCEASA-N 1 0 249.336 -1.208 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663009397 412368710 /nfs/dbraw/zinc/36/87/10/412368710.db2.gz SZAKKHMJFLMKAC-IONNQARKSA-N 1 0 249.336 -1.208 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663009398 412368973 /nfs/dbraw/zinc/36/89/73/412368973.db2.gz SZAKKHMJFLMKAC-VXNVDRBHSA-N 1 0 249.336 -1.208 20 0 BAADRO CNS(=O)(=O)CC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663011204 412370277 /nfs/dbraw/zinc/37/02/77/412370277.db2.gz NZXLCGZHHOWTFE-MRVPVSSYSA-N 1 0 235.309 -1.596 20 0 BAADRO CNS(=O)(=O)CC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663011221 412370351 /nfs/dbraw/zinc/37/03/51/412370351.db2.gz NZXLCGZHHOWTFE-QMMMGPOBSA-N 1 0 235.309 -1.596 20 0 BAADRO COCC(=O)N(C)CC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663013325 490290186 /nfs/dbraw/zinc/29/01/86/490290186.db2.gz LEFUKWNGCIDSRU-LLVKDONJSA-N 1 0 243.307 -1.041 20 0 BAADRO COCC(=O)N(C)CC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663013326 490290197 /nfs/dbraw/zinc/29/01/97/490290197.db2.gz LEFUKWNGCIDSRU-NSHDSACASA-N 1 0 243.307 -1.041 20 0 BAADRO CCS(=O)(=O)NCC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663013417 412370672 /nfs/dbraw/zinc/37/06/72/412370672.db2.gz NFEUXFBBCPSGSA-SECBINFHSA-N 1 0 249.336 -1.206 20 0 BAADRO CCS(=O)(=O)NCC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663013418 491122677 /nfs/dbraw/zinc/12/26/77/491122677.db2.gz NFEUXFBBCPSGSA-VIFPVBQESA-N 1 0 249.336 -1.206 20 0 BAADRO CN(C)S(=O)(=O)CC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663013701 412370784 /nfs/dbraw/zinc/37/07/84/412370784.db2.gz PKDQNMFSSFQYGH-SECBINFHSA-N 1 0 249.336 -1.254 20 0 BAADRO CN(C)S(=O)(=O)CC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663013709 412371226 /nfs/dbraw/zinc/37/12/26/412371226.db2.gz PKDQNMFSSFQYGH-VIFPVBQESA-N 1 0 249.336 -1.254 20 0 BAADRO Cn1cnn(CC(=O)N[C@@]2(C)CC[NH2+]C2)c1=O ZINC000663013741 412370977 /nfs/dbraw/zinc/37/09/77/412370977.db2.gz PLEFEZLDQNZGRE-JTQLQIEISA-N 1 0 239.279 -1.550 20 0 BAADRO Cn1cnn(CC(=O)N[C@]2(C)CC[NH2+]C2)c1=O ZINC000663013742 412370657 /nfs/dbraw/zinc/37/06/57/412370657.db2.gz PLEFEZLDQNZGRE-SNVBAGLBSA-N 1 0 239.279 -1.550 20 0 BAADRO CN1C[C@H](C(=O)N[C@]2(C)CC[NH2+]C2)NC1=O ZINC000663015811 412372014 /nfs/dbraw/zinc/37/20/14/412372014.db2.gz ZUBIZIOLZBORAU-GMSGAONNSA-N 1 0 226.280 -1.122 20 0 BAADRO CN1C[C@@H](C(=O)N[C@]2(C)CC[NH2+]C2)NC1=O ZINC000663015812 412372056 /nfs/dbraw/zinc/37/20/56/412372056.db2.gz ZUBIZIOLZBORAU-OIBJUYFYSA-N 1 0 226.280 -1.122 20 0 BAADRO CN1C[C@H](C(=O)N[C@@]2(C)CC[NH2+]C2)NC1=O ZINC000663015813 412371765 /nfs/dbraw/zinc/37/17/65/412371765.db2.gz ZUBIZIOLZBORAU-XCBNKYQSSA-N 1 0 226.280 -1.122 20 0 BAADRO CN1C[C@@H](C(=O)N[C@@]2(C)CC[NH2+]C2)NC1=O ZINC000663015814 412371936 /nfs/dbraw/zinc/37/19/36/412371936.db2.gz ZUBIZIOLZBORAU-XVKPBYJWSA-N 1 0 226.280 -1.122 20 0 BAADRO C[C@@H]1CN(c2cc(=O)n(C)c(=O)n2C)CC[NH2+]1 ZINC000663236007 412397306 /nfs/dbraw/zinc/39/73/06/412397306.db2.gz CVXBDTKEBHOZCX-MRVPVSSYSA-N 1 0 238.291 -1.118 20 0 BAADRO C[C@H]1CN(c2cc(=O)n(C)c(=O)n2C)CC[NH2+]1 ZINC000663236008 412396783 /nfs/dbraw/zinc/39/67/83/412396783.db2.gz CVXBDTKEBHOZCX-QMMMGPOBSA-N 1 0 238.291 -1.118 20 0 BAADRO Cn1c(=O)cc(N2CCC[NH2+]CC2)n(C)c1=O ZINC000663237064 412398341 /nfs/dbraw/zinc/39/83/41/412398341.db2.gz KSBIEHXPJNFNSR-UHFFFAOYSA-N 1 0 238.291 -1.116 20 0 BAADRO Cn1c(=O)cc(NC2C[NH2+]C2)n(C)c1=O ZINC000663238629 412398352 /nfs/dbraw/zinc/39/83/52/412398352.db2.gz GDJDPOVHCWUIAU-UHFFFAOYSA-N 1 0 210.237 -1.532 20 0 BAADRO Cn1c(=O)cc(N[C@H]2CC[NH2+]C2)n(C)c1=O ZINC000663238969 412397997 /nfs/dbraw/zinc/39/79/97/412397997.db2.gz IYSZTLCQUVEOEE-ZETCQYMHSA-N 1 0 224.264 -1.142 20 0 BAADRO C[C@H]([NH3+])CNc1cc(=O)n(C)c(=O)n1C ZINC000663239024 412398437 /nfs/dbraw/zinc/39/84/37/412398437.db2.gz JKRYJQGTTAWPGH-LURJTMIESA-N 1 0 212.253 -1.157 20 0 BAADRO C[C@@H]([NH3+])CNc1cc(=O)n(C)c(=O)n1C ZINC000663239026 412397700 /nfs/dbraw/zinc/39/77/00/412397700.db2.gz JKRYJQGTTAWPGH-ZCFIWIBFSA-N 1 0 212.253 -1.157 20 0 BAADRO Cn1c(=O)cc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)n(C)c1=O ZINC000663239390 412398092 /nfs/dbraw/zinc/39/80/92/412398092.db2.gz OXOXDVGJYSBWIH-MTBHXBHISA-N 1 0 236.275 -1.286 20 0 BAADRO Cn1nncc1S(=O)(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663312765 412411491 /nfs/dbraw/zinc/41/14/91/412411491.db2.gz IHAALUMFDUDLAH-MRVPVSSYSA-N 1 0 245.308 -1.155 20 0 BAADRO Cn1nncc1S(=O)(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663312766 412410727 /nfs/dbraw/zinc/41/07/27/412410727.db2.gz IHAALUMFDUDLAH-QMMMGPOBSA-N 1 0 245.308 -1.155 20 0 BAADRO O[C@@H](C[NH2+][C@@H]1C[C@@H](O)C1)CN1CCOCC1 ZINC000663373306 411641303 /nfs/dbraw/zinc/64/13/03/411641303.db2.gz LBDRKDMCLPNDEI-DCAQKATOSA-N 1 0 230.308 -1.208 20 0 BAADRO O[C@H](C[NH2+][C@@H]1C[C@@H](O)C1)CN1CCOCC1 ZINC000663373307 411641250 /nfs/dbraw/zinc/64/12/50/411641250.db2.gz LBDRKDMCLPNDEI-GMTAPVOTSA-N 1 0 230.308 -1.208 20 0 BAADRO CC[NH+]1CCN(CCNc2nnnn2C)CC1 ZINC000663399200 411647794 /nfs/dbraw/zinc/64/77/94/411647794.db2.gz UOGSKPGDQJOPNI-UHFFFAOYSA-N 1 0 239.327 -1.319 20 0 BAADRO COCC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663484662 411669682 /nfs/dbraw/zinc/66/96/82/411669682.db2.gz SGHHRLRCYCFNKW-UHFFFAOYSA-N 1 0 200.238 -1.166 20 0 BAADRO O=C([C@H]1COCCO1)N1CCOC2(C[NH2+]C2)C1 ZINC000663486968 411669281 /nfs/dbraw/zinc/66/92/81/411669281.db2.gz XGOJHGPEKBVZDR-SECBINFHSA-N 1 0 242.275 -1.397 20 0 BAADRO O=C([C@@H]1COCCO1)N1CCOC2(C[NH2+]C2)C1 ZINC000663486969 411669965 /nfs/dbraw/zinc/66/99/65/411669965.db2.gz XGOJHGPEKBVZDR-VIFPVBQESA-N 1 0 242.275 -1.397 20 0 BAADRO COC[C@@H](OC)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663492900 411670661 /nfs/dbraw/zinc/67/06/61/411670661.db2.gz VPEGBFDLXPHLNZ-SECBINFHSA-N 1 0 244.291 -1.151 20 0 BAADRO COC[C@H](OC)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663492904 411671604 /nfs/dbraw/zinc/67/16/04/411671604.db2.gz VPEGBFDLXPHLNZ-VIFPVBQESA-N 1 0 244.291 -1.151 20 0 BAADRO Cn1c(=O)cc(N2CC([NH+](C)C)C2)n(C)c1=O ZINC000663754230 411739733 /nfs/dbraw/zinc/73/97/33/411739733.db2.gz FKVGTLHCXNAAGY-UHFFFAOYSA-N 1 0 238.291 -1.166 20 0 BAADRO C[NH+](C)C[C@H](CO)Nc1nccn2nnnc12 ZINC000663911066 411770627 /nfs/dbraw/zinc/77/06/27/411770627.db2.gz WUTIEOKBSBWCBW-SSDOTTSWSA-N 1 0 237.267 -1.146 20 0 BAADRO C[NH+](C)C[C@@H](CO)Nc1nccn2nnnc12 ZINC000663911067 411770324 /nfs/dbraw/zinc/77/03/24/411770324.db2.gz WUTIEOKBSBWCBW-ZETCQYMHSA-N 1 0 237.267 -1.146 20 0 BAADRO CNC(=O)C(=O)NCCN(C)CCC[NH+](C)C ZINC000664332479 411924402 /nfs/dbraw/zinc/92/44/02/411924402.db2.gz YUSNEQUUBJXTCM-UHFFFAOYSA-N 1 0 244.339 -1.268 20 0 BAADRO O=C(NC1CC1)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000664723541 412013938 /nfs/dbraw/zinc/01/39/38/412013938.db2.gz APCHMRIXAATUSH-UHFFFAOYSA-N 1 0 239.275 -1.534 20 0 BAADRO COCCOCC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000664725020 412014527 /nfs/dbraw/zinc/01/45/27/412014527.db2.gz ICYXRYVDKWPGPX-UHFFFAOYSA-N 1 0 244.291 -1.150 20 0 BAADRO O=C([C@H]1CSCN1)N1CCOC2(C[NH2+]C2)C1 ZINC000664727315 410621833 /nfs/dbraw/zinc/62/18/33/410621833.db2.gz ZTZVDZXPGMTYDE-MRVPVSSYSA-N 1 0 243.332 -1.150 20 0 BAADRO O=C([C@@H]1CSCN1)N1CCOC2(C[NH2+]C2)C1 ZINC000664727316 410621548 /nfs/dbraw/zinc/62/15/48/410621548.db2.gz ZTZVDZXPGMTYDE-QMMMGPOBSA-N 1 0 243.332 -1.150 20 0 BAADRO CC(C)[C@H](O)C[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665048386 412068256 /nfs/dbraw/zinc/06/82/56/412068256.db2.gz ZKYIPVADAAMMEW-HRDYMLBCSA-N 1 0 216.281 -1.076 20 0 BAADRO CC(C)[C@@H](O)C[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665048387 412069326 /nfs/dbraw/zinc/06/93/26/412069326.db2.gz ZKYIPVADAAMMEW-VGMNWLOBSA-N 1 0 216.281 -1.076 20 0 BAADRO CO[C@H](C)C[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665048789 412067838 /nfs/dbraw/zinc/06/78/38/412067838.db2.gz WLMIATRPCSOGAG-PRJMDXOYSA-N 1 0 202.254 -1.058 20 0 BAADRO CO[C@@H](C)C[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665048790 412068717 /nfs/dbraw/zinc/06/87/17/412068717.db2.gz WLMIATRPCSOGAG-RNJXMRFFSA-N 1 0 202.254 -1.058 20 0 BAADRO C[NH+](C)CCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000665111193 412099644 /nfs/dbraw/zinc/09/96/44/412099644.db2.gz VWJNCFQSHXUEFI-ZETCQYMHSA-N 1 0 242.279 -1.348 20 0 BAADRO C[NH+](C)CCNC(=O)C1(n2cnnn2)CC1 ZINC000665112045 412099726 /nfs/dbraw/zinc/09/97/26/412099726.db2.gz NEJNEFPDPWCUJP-UHFFFAOYSA-N 1 0 224.268 -1.160 20 0 BAADRO CN1C[C@H](C(=O)NCC[NH+](C)C)NC1=O ZINC000665112297 412099071 /nfs/dbraw/zinc/09/90/71/412099071.db2.gz TUWCVGHDHHZVFM-SSDOTTSWSA-N 1 0 214.269 -1.312 20 0 BAADRO CN1C[C@@H](C(=O)NCC[NH+](C)C)NC1=O ZINC000665112301 412099308 /nfs/dbraw/zinc/09/93/08/412099308.db2.gz TUWCVGHDHHZVFM-ZETCQYMHSA-N 1 0 214.269 -1.312 20 0 BAADRO C[NH+](C)CCNC(=O)N[C@H]1CCNC1=O ZINC000665333342 412264539 /nfs/dbraw/zinc/26/45/39/412264539.db2.gz PMQBASNPCOJAKC-ZETCQYMHSA-N 1 0 214.269 -1.264 20 0 BAADRO C[NH+](C)C1(C(=O)NCCNS(C)(=O)=O)CC1 ZINC000665910081 487877653 /nfs/dbraw/zinc/87/76/53/487877653.db2.gz ZCSYGHKWYXXZEG-UHFFFAOYSA-N 1 0 249.336 -1.254 20 0 BAADRO C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH+](C)C ZINC000666243478 487767880 /nfs/dbraw/zinc/76/78/80/487767880.db2.gz HPFOMLLSMMZTDU-RQJHMYQMSA-N 1 0 242.279 -1.349 20 0 BAADRO COCC[N@H+](C)CCCNC(=O)[C@H]1CC(=O)N1 ZINC000666342337 487790394 /nfs/dbraw/zinc/79/03/94/487790394.db2.gz IENXIKNCVLQIEY-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO COCC[N@H+](C)CCCNC(=O)[C@@H]1CC(=O)N1 ZINC000666342338 487790466 /nfs/dbraw/zinc/79/04/66/487790466.db2.gz IENXIKNCVLQIEY-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC(=O)N2)C1 ZINC000666911360 487879140 /nfs/dbraw/zinc/87/91/40/487879140.db2.gz SDMDOPHBOQPCOH-HTQZYQBOSA-N 1 0 211.265 -1.057 20 0 BAADRO C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC(=O)N2)C1 ZINC000666911361 487879221 /nfs/dbraw/zinc/87/92/21/487879221.db2.gz SDMDOPHBOQPCOH-JGVFFNPUSA-N 1 0 211.265 -1.057 20 0 BAADRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC(=O)N2)C1 ZINC000666911362 487879001 /nfs/dbraw/zinc/87/90/01/487879001.db2.gz SDMDOPHBOQPCOH-SFYZADRCSA-N 1 0 211.265 -1.057 20 0 BAADRO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(=O)N2)C1 ZINC000666911363 487879210 /nfs/dbraw/zinc/87/92/10/487879210.db2.gz SDMDOPHBOQPCOH-YUMQZZPRSA-N 1 0 211.265 -1.057 20 0 BAADRO C[NH+](C)C1(C(=O)N2CCO[C@@H](C(N)=O)C2)CC1 ZINC000667646122 488069886 /nfs/dbraw/zinc/06/98/86/488069886.db2.gz JLETVJGFZGYSNT-MRVPVSSYSA-N 1 0 241.291 -1.207 20 0 BAADRO C[NH+](C)C1(C(=O)N2CCO[C@H](C(N)=O)C2)CC1 ZINC000667646123 488069842 /nfs/dbraw/zinc/06/98/42/488069842.db2.gz JLETVJGFZGYSNT-QMMMGPOBSA-N 1 0 241.291 -1.207 20 0 BAADRO C[C@H]1CN(CCNC(=O)[C@H]2CC(=O)N2)CCO1 ZINC000667816073 488124688 /nfs/dbraw/zinc/12/46/88/488124688.db2.gz JIPVXHJKSZPIEP-DTWKUNHWSA-N 1 0 241.291 -1.288 20 0 BAADRO C[C@H]1CN(CCNC(=O)[C@@H]2CC(=O)N2)CCO1 ZINC000667816074 488124132 /nfs/dbraw/zinc/12/41/32/488124132.db2.gz JIPVXHJKSZPIEP-IUCAKERBSA-N 1 0 241.291 -1.288 20 0 BAADRO COCC[N@H+](C)CCNC(=O)[C@H]1CC(=O)N1 ZINC000667994939 487792963 /nfs/dbraw/zinc/79/29/63/487792963.db2.gz TZERXDLDMBCLAX-MRVPVSSYSA-N 1 0 229.280 -1.431 20 0 BAADRO COCC[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N1 ZINC000667994940 487793097 /nfs/dbraw/zinc/79/30/97/487793097.db2.gz TZERXDLDMBCLAX-QMMMGPOBSA-N 1 0 229.280 -1.431 20 0 BAADRO COCC[N@H+](C)CCNC(=O)[C@@H]1CCNC1=O ZINC000667994969 488179717 /nfs/dbraw/zinc/17/97/17/488179717.db2.gz UXYNUHWCXSPATI-SECBINFHSA-N 1 0 243.307 -1.183 20 0 BAADRO COCC[N@H+](C)CCNC(=O)[C@H]1CCNC1=O ZINC000667994970 488179413 /nfs/dbraw/zinc/17/94/13/488179413.db2.gz UXYNUHWCXSPATI-VIFPVBQESA-N 1 0 243.307 -1.183 20 0 BAADRO CN(C)S(=O)(=O)NCC[NH2+]Cc1cn[nH]c1 ZINC000668147612 488209238 /nfs/dbraw/zinc/20/92/38/488209238.db2.gz OJZJCAFJOLYWJF-UHFFFAOYSA-N 1 0 247.324 -1.105 20 0 BAADRO COCCN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N1 ZINC000668308508 487639251 /nfs/dbraw/zinc/63/92/51/487639251.db2.gz CJLWYBCKIZLELY-SECBINFHSA-N 1 0 243.307 -1.089 20 0 BAADRO COCCN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N1 ZINC000668308509 487639264 /nfs/dbraw/zinc/63/92/64/487639264.db2.gz CJLWYBCKIZLELY-VIFPVBQESA-N 1 0 243.307 -1.089 20 0 BAADRO COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)N2)C1 ZINC000668436098 487750745 /nfs/dbraw/zinc/75/07/45/487750745.db2.gz WEENEWXCZVNVKC-BDAKNGLRSA-N 1 0 241.291 -1.288 20 0 BAADRO COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N2)C1 ZINC000668436100 487750919 /nfs/dbraw/zinc/75/09/19/487750919.db2.gz WEENEWXCZVNVKC-DTWKUNHWSA-N 1 0 241.291 -1.288 20 0 BAADRO COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N2)C1 ZINC000668436101 487750695 /nfs/dbraw/zinc/75/06/95/487750695.db2.gz WEENEWXCZVNVKC-IUCAKERBSA-N 1 0 241.291 -1.288 20 0 BAADRO COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC(=O)N2)C1 ZINC000668436102 487750542 /nfs/dbraw/zinc/75/05/42/487750542.db2.gz WEENEWXCZVNVKC-RKDXNWHRSA-N 1 0 241.291 -1.288 20 0 BAADRO COCCC[N@H+](C)CCNC(=O)[C@H]1CC(=O)N1 ZINC000669186701 488058247 /nfs/dbraw/zinc/05/82/47/488058247.db2.gz FYDDFWFGAJKXON-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO COCCC[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N1 ZINC000669186702 488058152 /nfs/dbraw/zinc/05/81/52/488058152.db2.gz FYDDFWFGAJKXON-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO C[NH+](C)CC(=O)NC1CC(NS(C)(=O)=O)C1 ZINC000669920374 487925073 /nfs/dbraw/zinc/92/50/73/487925073.db2.gz FSUXVSJYZLOZMV-UHFFFAOYSA-N 1 0 249.336 -1.256 20 0 BAADRO C[C@@H](C(=O)NC[C@](C)(O)CO)[NH+](C)C ZINC000670102009 488104061 /nfs/dbraw/zinc/10/40/61/488104061.db2.gz NGLWIYLCXSBQEK-CBAPKCEASA-N 1 0 204.270 -1.204 20 0 BAADRO C[C@@H](C(=O)NC[C@@](C)(O)CO)[NH+](C)C ZINC000670102010 488104182 /nfs/dbraw/zinc/10/41/82/488104182.db2.gz NGLWIYLCXSBQEK-IONNQARKSA-N 1 0 204.270 -1.204 20 0 BAADRO CNC(=O)C(=O)N[C@@H]1CCC[N@H+](CCOC)C1 ZINC000671149058 487971463 /nfs/dbraw/zinc/97/14/63/487971463.db2.gz HGDLDSIZSJWUNL-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO CNC(=O)C(=O)N[C@H]1CCC[N@H+](CCOC)C1 ZINC000671149059 487971624 /nfs/dbraw/zinc/97/16/24/487971624.db2.gz HGDLDSIZSJWUNL-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO CNS(=O)(=O)NCCOCC[NH+](C)C ZINC000671682695 487688685 /nfs/dbraw/zinc/68/86/85/487688685.db2.gz MRYUTXQHAWXLJM-UHFFFAOYSA-N 1 0 225.314 -1.382 20 0 BAADRO CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCOC1 ZINC000672283252 488249868 /nfs/dbraw/zinc/24/98/68/488249868.db2.gz QWFCJSHYTAFITK-SECBINFHSA-N 1 0 243.307 -1.089 20 0 BAADRO CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCOC1 ZINC000672283253 488249952 /nfs/dbraw/zinc/24/99/52/488249952.db2.gz QWFCJSHYTAFITK-VIFPVBQESA-N 1 0 243.307 -1.089 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@H]1CCC(=O)N1 ZINC000673519384 488292350 /nfs/dbraw/zinc/29/23/50/488292350.db2.gz LZEACCDJQMIWAU-HTQZYQBOSA-N 1 0 229.280 -1.696 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1CCC(=O)N1 ZINC000673519385 488292332 /nfs/dbraw/zinc/29/23/32/488292332.db2.gz LZEACCDJQMIWAU-JGVFFNPUSA-N 1 0 229.280 -1.696 20 0 BAADRO COCCOCC(=O)N[C@@H](CO)C[NH+](C)C ZINC000673520279 487966835 /nfs/dbraw/zinc/96/68/35/487966835.db2.gz HIQUHSRUUHQHJQ-SECBINFHSA-N 1 0 234.296 -1.312 20 0 BAADRO COCCOCC(=O)N[C@H](CO)C[NH+](C)C ZINC000673520282 487966945 /nfs/dbraw/zinc/96/69/45/487966945.db2.gz HIQUHSRUUHQHJQ-VIFPVBQESA-N 1 0 234.296 -1.312 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)CN1CCOCC1 ZINC000673520518 488293070 /nfs/dbraw/zinc/29/30/70/488293070.db2.gz FZOANQFWJZKDSL-JTQLQIEISA-N 1 0 245.323 -1.643 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)CN1CCOCC1 ZINC000673520523 488292735 /nfs/dbraw/zinc/29/27/35/488292735.db2.gz FZOANQFWJZKDSL-SNVBAGLBSA-N 1 0 245.323 -1.643 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)CCn1cncn1 ZINC000673520848 488292634 /nfs/dbraw/zinc/29/26/34/488292634.db2.gz ILWNSPRFPHUVCH-SECBINFHSA-N 1 0 241.295 -1.293 20 0 BAADRO CC(=O)NCC(=O)N[C@@H](CO)C[NH+](C)C ZINC000673520855 487974743 /nfs/dbraw/zinc/97/47/43/487974743.db2.gz IKWIMMZEQXEFKA-MRVPVSSYSA-N 1 0 217.269 -1.839 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)CCn1cncn1 ZINC000673520857 488293081 /nfs/dbraw/zinc/29/30/81/488293081.db2.gz ILWNSPRFPHUVCH-VIFPVBQESA-N 1 0 241.295 -1.293 20 0 BAADRO CC(=O)NCC(=O)N[C@H](CO)C[NH+](C)C ZINC000673520870 487974942 /nfs/dbraw/zinc/97/49/42/487974942.db2.gz IKWIMMZEQXEFKA-QMMMGPOBSA-N 1 0 217.269 -1.839 20 0 BAADRO CNC(=O)CCCC(=O)N[C@@H](CO)C[NH+](C)C ZINC000673521187 487977365 /nfs/dbraw/zinc/97/73/65/487977365.db2.gz KZOVOMCSKCKCCR-SECBINFHSA-N 1 0 245.323 -1.059 20 0 BAADRO CNC(=O)CCCC(=O)N[C@H](CO)C[NH+](C)C ZINC000673521196 487977357 /nfs/dbraw/zinc/97/73/57/487977357.db2.gz KZOVOMCSKCKCCR-VIFPVBQESA-N 1 0 245.323 -1.059 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)c1nccnc1N ZINC000673521422 488292602 /nfs/dbraw/zinc/29/26/02/488292602.db2.gz QDOGUFYKBYYCNK-SSDOTTSWSA-N 1 0 239.279 -1.289 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)c1nccnc1N ZINC000673521427 488292541 /nfs/dbraw/zinc/29/25/41/488292541.db2.gz QDOGUFYKBYYCNK-ZETCQYMHSA-N 1 0 239.279 -1.289 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@H]1CCNC(=O)C1 ZINC000673521526 490360631 /nfs/dbraw/zinc/36/06/31/490360631.db2.gz QNBLZNYQYJMUND-DTWKUNHWSA-N 1 0 243.307 -1.449 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1CCNC(=O)C1 ZINC000673521529 490360620 /nfs/dbraw/zinc/36/06/20/490360620.db2.gz QNBLZNYQYJMUND-IUCAKERBSA-N 1 0 243.307 -1.449 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CCNC(=O)C1 ZINC000673521532 711970824 /nfs/dbraw/zinc/97/08/24/711970824.db2.gz QNBLZNYQYJMUND-RKDXNWHRSA-N 1 0 243.307 -1.449 20 0 BAADRO CNC(=O)C1(C(=O)N[C@@H](CO)C[NH+](C)C)CC1 ZINC000673521780 488292752 /nfs/dbraw/zinc/29/27/52/488292752.db2.gz RRYWDZOVTUMVMH-MRVPVSSYSA-N 1 0 243.307 -1.449 20 0 BAADRO CNC(=O)C1(C(=O)N[C@H](CO)C[NH+](C)C)CC1 ZINC000673521781 488293118 /nfs/dbraw/zinc/29/31/18/488293118.db2.gz RRYWDZOVTUMVMH-QMMMGPOBSA-N 1 0 243.307 -1.449 20 0 BAADRO CC(=O)N(C)CC(=O)N[C@@H](CO)C[NH+](C)C ZINC000673522153 488292978 /nfs/dbraw/zinc/29/29/78/488292978.db2.gz SOQLXKOMEPFHPY-SECBINFHSA-N 1 0 231.296 -1.497 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)CCn1ccnn1 ZINC000673522157 566397486 /nfs/dbraw/zinc/39/74/86/566397486.db2.gz DKWKHXAGTXBURB-SECBINFHSA-N 1 0 241.295 -1.293 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)CCn1ccnn1 ZINC000673522158 490363284 /nfs/dbraw/zinc/36/32/84/490363284.db2.gz DKWKHXAGTXBURB-VIFPVBQESA-N 1 0 241.295 -1.293 20 0 BAADRO CC(=O)N(C)CC(=O)N[C@H](CO)C[NH+](C)C ZINC000673522160 488292210 /nfs/dbraw/zinc/29/22/10/488292210.db2.gz SOQLXKOMEPFHPY-VIFPVBQESA-N 1 0 231.296 -1.497 20 0 BAADRO CN1CCO[C@@H](C(=O)N[C@@H](CO)C[NH+](C)C)C1 ZINC000673522760 488293259 /nfs/dbraw/zinc/29/32/59/488293259.db2.gz WSGSFPQAPQBALM-NXEZZACHSA-N 1 0 245.323 -1.644 20 0 BAADRO CN1CCO[C@H](C(=O)N[C@H](CO)C[NH+](C)C)C1 ZINC000673522761 488293548 /nfs/dbraw/zinc/29/35/48/488293548.db2.gz WSGSFPQAPQBALM-UWVGGRQHSA-N 1 0 245.323 -1.644 20 0 BAADRO CN1CCO[C@@H](C(=O)N[C@H](CO)C[NH+](C)C)C1 ZINC000673522762 488293369 /nfs/dbraw/zinc/29/33/69/488293369.db2.gz WSGSFPQAPQBALM-VHSXEESVSA-N 1 0 245.323 -1.644 20 0 BAADRO CN1CCO[C@H](C(=O)N[C@@H](CO)C[NH+](C)C)C1 ZINC000673522763 488293687 /nfs/dbraw/zinc/29/36/87/488293687.db2.gz WSGSFPQAPQBALM-ZJUUUORDSA-N 1 0 245.323 -1.644 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)Cn1cnnn1 ZINC000673522782 487992837 /nfs/dbraw/zinc/99/28/37/487992837.db2.gz RGKUOZNHYIJSGK-SSDOTTSWSA-N 1 0 228.256 -2.288 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)Cn1cnnn1 ZINC000673522792 487992802 /nfs/dbraw/zinc/99/28/02/487992802.db2.gz RGKUOZNHYIJSGK-ZETCQYMHSA-N 1 0 228.256 -2.288 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)Cc1cc[nH]n1 ZINC000673523172 488293478 /nfs/dbraw/zinc/29/34/78/488293478.db2.gz VYLUKUIBFLYXLY-SECBINFHSA-N 1 0 226.280 -1.009 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)Cc1cc[nH]n1 ZINC000673523180 488293813 /nfs/dbraw/zinc/29/38/13/488293813.db2.gz VYLUKUIBFLYXLY-VIFPVBQESA-N 1 0 226.280 -1.009 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)CN1CCCC1=O ZINC000673523757 488007242 /nfs/dbraw/zinc/00/72/42/488007242.db2.gz ZRTXEWXAVFIKMY-SECBINFHSA-N 1 0 243.307 -1.353 20 0 BAADRO CC(=O)NCC(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000673534000 488294798 /nfs/dbraw/zinc/29/47/98/488294798.db2.gz YMPHFGUTTWCFRF-JTQLQIEISA-N 1 0 243.307 -1.305 20 0 BAADRO CC(=O)NCC(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000673534001 488294693 /nfs/dbraw/zinc/29/46/93/488294693.db2.gz YMPHFGUTTWCFRF-SNVBAGLBSA-N 1 0 243.307 -1.305 20 0 BAADRO C[C@@H](C(=O)N1CCO[C@@H](C(N)=O)C1)[NH+](C)C ZINC000674246922 487535160 /nfs/dbraw/zinc/53/51/60/487535160.db2.gz QWTXZOSWXANSSM-JGVFFNPUSA-N 1 0 229.280 -1.351 20 0 BAADRO C[C@@H](C(=O)N1CCO[C@H](C(N)=O)C1)[NH+](C)C ZINC000674246924 487535019 /nfs/dbraw/zinc/53/50/19/487535019.db2.gz QWTXZOSWXANSSM-YUMQZZPRSA-N 1 0 229.280 -1.351 20 0 BAADRO COCCNC(=O)CNC(=O)[C@H](C)[NH+](C)C ZINC000674285786 487774396 /nfs/dbraw/zinc/77/43/96/487774396.db2.gz SZCWZVKNZYSIQX-QMMMGPOBSA-N 1 0 231.296 -1.185 20 0 BAADRO C[C@@H](C(=O)NCCNS(C)(=O)=O)[NH+](C)C ZINC000674285817 487775723 /nfs/dbraw/zinc/77/57/23/487775723.db2.gz VZIUNJBFCWFMEV-ZETCQYMHSA-N 1 0 237.325 -1.398 20 0 BAADRO C[C@@H](C(=O)N1CCN(CC(N)=O)CC1)[NH+](C)C ZINC000674287091 487547417 /nfs/dbraw/zinc/54/74/17/487547417.db2.gz RVRDVJFBONPOKC-VIFPVBQESA-N 1 0 242.323 -1.434 20 0 BAADRO C[C@@H](C(=O)NCCN1C(=O)CNC1=O)[NH+](C)C ZINC000674289291 487550688 /nfs/dbraw/zinc/55/06/88/487550688.db2.gz CVUVFSGFQPTXEZ-ZETCQYMHSA-N 1 0 242.279 -1.396 20 0 BAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000674387993 487568114 /nfs/dbraw/zinc/56/81/14/487568114.db2.gz GRKQWUQJSOVSGH-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO CNS(=O)(=O)CC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000674387997 487568699 /nfs/dbraw/zinc/56/86/99/487568699.db2.gz GRKQWUQJSOVSGH-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO CC(=O)NCCC[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674464676 488155009 /nfs/dbraw/zinc/15/50/09/488155009.db2.gz JEMGLPDVSYOXML-AOOOYVTPSA-N 1 0 216.281 -1.060 20 0 BAADRO O[C@H](Cn1cccn1)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674465006 487580934 /nfs/dbraw/zinc/58/09/34/487580934.db2.gz MUHFRTVBMJUXBR-AXFHLTTASA-N 1 0 241.291 -1.329 20 0 BAADRO O[C@@H](Cn1cccn1)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674465009 487580296 /nfs/dbraw/zinc/58/02/96/487580296.db2.gz MUHFRTVBMJUXBR-OUAUKWLOSA-N 1 0 241.291 -1.329 20 0 BAADRO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674465085 487580764 /nfs/dbraw/zinc/58/07/64/487580764.db2.gz DTHITZIUIBOPCO-HLTSFMKQSA-N 1 0 216.281 -1.109 20 0 BAADRO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674465087 487580710 /nfs/dbraw/zinc/58/07/10/487580710.db2.gz DTHITZIUIBOPCO-XHNCKOQMSA-N 1 0 216.281 -1.109 20 0 BAADRO OCCOCC[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674465281 487580259 /nfs/dbraw/zinc/58/02/59/487580259.db2.gz MFBLIHNUQQOWSV-DTORHVGOSA-N 1 0 205.254 -1.577 20 0 BAADRO CC[C@H](C(N)=O)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674465711 487580209 /nfs/dbraw/zinc/58/02/09/487580209.db2.gz SGHYMHSXSVJTPI-GJMOJQLCSA-N 1 0 202.254 -1.322 20 0 BAADRO CC[C@@H](C(N)=O)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674465717 487580642 /nfs/dbraw/zinc/58/06/42/487580642.db2.gz SGHYMHSXSVJTPI-RNJXMRFFSA-N 1 0 202.254 -1.322 20 0 BAADRO CN(C)C(=O)CC[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674466071 487824671 /nfs/dbraw/zinc/82/46/71/487824671.db2.gz TXXLUOZXWDZHAS-DTORHVGOSA-N 1 0 216.281 -1.108 20 0 BAADRO CCOC[C@@H](O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674466195 490139276 /nfs/dbraw/zinc/13/92/76/490139276.db2.gz UWSQISQWTHGWQH-AEJSXWLSSA-N 1 0 219.281 -1.189 20 0 BAADRO CCOC[C@H](O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674466198 490139307 /nfs/dbraw/zinc/13/93/07/490139307.db2.gz UWSQISQWTHGWQH-KXUCPTDWSA-N 1 0 219.281 -1.189 20 0 BAADRO CN1CC[C@@H]([N@H+]2C[C@H](O)C[C@H](O)C2)C1=O ZINC000674466811 487582427 /nfs/dbraw/zinc/58/24/27/487582427.db2.gz ORNJRYZOCRYHGA-HRDYMLBCSA-N 1 0 214.265 -1.355 20 0 BAADRO CN1CC[C@H]([N@H+]2C[C@H](O)C[C@H](O)C2)C1=O ZINC000674466813 487582562 /nfs/dbraw/zinc/58/25/62/487582562.db2.gz ORNJRYZOCRYHGA-YIZRAAEISA-N 1 0 214.265 -1.355 20 0 BAADRO CCNC(=O)CC[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674466978 487582307 /nfs/dbraw/zinc/58/23/07/487582307.db2.gz QOOKVJAUDCHARN-DTORHVGOSA-N 1 0 216.281 -1.060 20 0 BAADRO O[C@@H]1C[C@H](O)C[N@@H+](CCN2CCOCC2)C1 ZINC000674468700 487583756 /nfs/dbraw/zinc/58/37/56/487583756.db2.gz ZQWBTDIHDOHSFR-PHIMTYICSA-N 1 0 230.308 -1.254 20 0 BAADRO C[C@H](C(N)=O)N(C)CCN1CCCS1(=O)=O ZINC000674494719 487587443 /nfs/dbraw/zinc/58/74/43/487587443.db2.gz AHMLGMALCQTECF-MRVPVSSYSA-N 1 0 249.336 -1.173 20 0 BAADRO C[C@@H](C(N)=O)N(C)CCN1CCCS1(=O)=O ZINC000674494720 487587490 /nfs/dbraw/zinc/58/74/90/487587490.db2.gz AHMLGMALCQTECF-QMMMGPOBSA-N 1 0 249.336 -1.173 20 0 BAADRO CCN1C(=O)[C@H]2C[N@H+](CCO)CCN2C1=O ZINC000674502653 487907192 /nfs/dbraw/zinc/90/71/92/487907192.db2.gz YFPQVIVBXCZUEU-MRVPVSSYSA-N 1 0 227.264 -1.053 20 0 BAADRO CCN1C(=O)[C@@H]2C[N@H+](CCO)CCN2C1=O ZINC000674502658 487907046 /nfs/dbraw/zinc/90/70/46/487907046.db2.gz YFPQVIVBXCZUEU-QMMMGPOBSA-N 1 0 227.264 -1.053 20 0 BAADRO C[C@@H](C(=O)N1C[C@H](O)C[C@H](O)C1)[NH+](C)C ZINC000674806224 487621471 /nfs/dbraw/zinc/62/14/71/487621471.db2.gz VQAWVHJFOYXHMQ-XHNCKOQMSA-N 1 0 216.281 -1.109 20 0 BAADRO O=C1NCCC[C@H]1[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000675967226 487798338 /nfs/dbraw/zinc/79/83/38/487798338.db2.gz KSWDETMNTQYYAA-HRDYMLBCSA-N 1 0 214.265 -1.308 20 0 BAADRO O=C1NCCC[C@@H]1[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000675967252 487798269 /nfs/dbraw/zinc/79/82/69/487798269.db2.gz KSWDETMNTQYYAA-YIZRAAEISA-N 1 0 214.265 -1.308 20 0 BAADRO C[N@@H+]1CC[C@@H](C(=O)NCCn2ncnn2)C1 ZINC000676390751 487844580 /nfs/dbraw/zinc/84/45/80/487844580.db2.gz FPJPUMJABOIPTD-MRVPVSSYSA-N 1 0 224.268 -1.259 20 0 BAADRO C[N@@H+]1CC[C@H](C(=O)NCCn2ncnn2)C1 ZINC000676390752 487844763 /nfs/dbraw/zinc/84/47/63/487844763.db2.gz FPJPUMJABOIPTD-QMMMGPOBSA-N 1 0 224.268 -1.259 20 0 BAADRO C[C@@H](C(=O)NCCn1ncnn1)[NH+](C)C ZINC000676393821 487844590 /nfs/dbraw/zinc/84/45/90/487844590.db2.gz NYAJLYJWIAIVBM-ZETCQYMHSA-N 1 0 212.257 -1.261 20 0 BAADRO C[C@@H](C(=O)N[C@H]1CCC(=O)NC1=O)[NH+](C)C ZINC000676480365 487854132 /nfs/dbraw/zinc/85/41/32/487854132.db2.gz XOCFHHQZIBCFQK-BQBZGAKWSA-N 1 0 227.264 -1.142 20 0 BAADRO C[C@@H](C(=O)N[C@@H]1CCC(=O)NC1=O)[NH+](C)C ZINC000676480371 487852072 /nfs/dbraw/zinc/85/20/72/487852072.db2.gz XOCFHHQZIBCFQK-NKWVEPMBSA-N 1 0 227.264 -1.142 20 0 BAADRO CS(=O)(=O)NCC[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000676876700 487790773 /nfs/dbraw/zinc/79/07/73/487790773.db2.gz PLWOSMOVJMSWAK-MRVPVSSYSA-N 1 0 249.336 -1.267 20 0 BAADRO CS(=O)(=O)NCC[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000676876703 487790789 /nfs/dbraw/zinc/79/07/89/487790789.db2.gz PLWOSMOVJMSWAK-QMMMGPOBSA-N 1 0 249.336 -1.267 20 0 BAADRO C[C@@H]1CC(=O)NCCN1CCCS(N)(=O)=O ZINC000677714985 488097661 /nfs/dbraw/zinc/09/76/61/488097661.db2.gz DAHYXEQPMRLKGB-MRVPVSSYSA-N 1 0 249.336 -1.125 20 0 BAADRO C[C@H]1CC(=O)NCCN1CCCS(N)(=O)=O ZINC000677714986 488098188 /nfs/dbraw/zinc/09/81/88/488098188.db2.gz DAHYXEQPMRLKGB-QMMMGPOBSA-N 1 0 249.336 -1.125 20 0 BAADRO C[C@@H](CO)C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000678045558 488181593 /nfs/dbraw/zinc/18/15/93/488181593.db2.gz NDRONPTZKUOBQC-HTQZYQBOSA-N 1 0 202.254 -1.199 20 0 BAADRO C[C@H](CO)C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000678045560 488181274 /nfs/dbraw/zinc/18/12/74/488181274.db2.gz NDRONPTZKUOBQC-JGVFFNPUSA-N 1 0 202.254 -1.199 20 0 BAADRO O=C1NC[C@@H]2CN(Cc3cn[nH]c3)CCN2C1=O ZINC000678335291 488241824 /nfs/dbraw/zinc/24/18/24/488241824.db2.gz UDKFXCAUMFGRPP-SECBINFHSA-N 1 0 249.274 -1.448 20 0 BAADRO O=C1NC[C@H]2CN(Cc3cn[nH]c3)CCN2C1=O ZINC000678335292 488241811 /nfs/dbraw/zinc/24/18/11/488241811.db2.gz UDKFXCAUMFGRPP-VIFPVBQESA-N 1 0 249.274 -1.448 20 0 BAADRO C[C@@H](CO)C[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000678527819 488264208 /nfs/dbraw/zinc/26/42/08/488264208.db2.gz YGQISFBOZPGHMJ-HTQZYQBOSA-N 1 0 222.310 -1.022 20 0 BAADRO C[C@H](CO)C[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000678527824 488264293 /nfs/dbraw/zinc/26/42/93/488264293.db2.gz YGQISFBOZPGHMJ-JGVFFNPUSA-N 1 0 222.310 -1.022 20 0 BAADRO C[C@@H](CO)C[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000678527826 488264131 /nfs/dbraw/zinc/26/41/31/488264131.db2.gz YGQISFBOZPGHMJ-SFYZADRCSA-N 1 0 222.310 -1.022 20 0 BAADRO C[C@H](CO)C[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000678527827 488264156 /nfs/dbraw/zinc/26/41/56/488264156.db2.gz YGQISFBOZPGHMJ-YUMQZZPRSA-N 1 0 222.310 -1.022 20 0 BAADRO C[C@@H](C(=O)NCC(=O)N1CCOCC1)[NH+](C)C ZINC000678995897 488301581 /nfs/dbraw/zinc/30/15/81/488301581.db2.gz OBGWUEPWLMHBLC-VIFPVBQESA-N 1 0 243.307 -1.089 20 0 BAADRO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](O)C[C@@H]2CO)C1 ZINC000679111781 488309258 /nfs/dbraw/zinc/30/92/58/488309258.db2.gz TVXKIMCYCIDRLU-AEJSXWLSSA-N 1 0 228.292 -1.108 20 0 BAADRO C[N@@H+]1CC[C@H](C(=O)N2C[C@H](O)C[C@@H]2CO)C1 ZINC000679111782 488309080 /nfs/dbraw/zinc/30/90/80/488309080.db2.gz TVXKIMCYCIDRLU-IVZWLZJFSA-N 1 0 228.292 -1.108 20 0 BAADRO C[N@@H+]1CC[C@H](C(=O)N2C[C@H](O)C[C@H]2CO)C1 ZINC000679111783 488308987 /nfs/dbraw/zinc/30/89/87/488308987.db2.gz TVXKIMCYCIDRLU-LPEHRKFASA-N 1 0 228.292 -1.108 20 0 BAADRO C[C@@H](C(=O)N1C[C@@H](O)C[C@H]1CO)[NH+](C)C ZINC000679112294 488309118 /nfs/dbraw/zinc/30/91/18/488309118.db2.gz HCURZFJUVCGZHT-CIUDSAMLSA-N 1 0 216.281 -1.109 20 0 BAADRO C[C@@H](C(=O)N1C[C@H](O)C[C@@H]1CO)[NH+](C)C ZINC000679112295 488308726 /nfs/dbraw/zinc/30/87/26/488308726.db2.gz HCURZFJUVCGZHT-DJLDLDEBSA-N 1 0 216.281 -1.109 20 0 BAADRO C[C@@H](C(=O)N1C[C@H](O)C[C@H]1CO)[NH+](C)C ZINC000679112296 488309153 /nfs/dbraw/zinc/30/91/53/488309153.db2.gz HCURZFJUVCGZHT-XHNCKOQMSA-N 1 0 216.281 -1.109 20 0 BAADRO C[C@@H](C(=O)N1C[C@@H](O)C[C@@H]1CO)[NH+](C)C ZINC000679112297 488308980 /nfs/dbraw/zinc/30/89/80/488308980.db2.gz HCURZFJUVCGZHT-YIZRAAEISA-N 1 0 216.281 -1.109 20 0 BAADRO C[C@@H](C(=O)N1CCN(C(=O)CO)CC1)[NH+](C)C ZINC000679239179 488323222 /nfs/dbraw/zinc/32/32/22/488323222.db2.gz PHWQMOAEBYZVJU-VIFPVBQESA-N 1 0 243.307 -1.400 20 0 BAADRO CC(C)(CO)[NH+]1CCN(C(=O)CC(N)=O)CC1 ZINC000679315881 488334874 /nfs/dbraw/zinc/33/48/74/488334874.db2.gz JHLXOTQHXWXCRA-UHFFFAOYSA-N 1 0 243.307 -1.223 20 0 BAADRO CN1CCC[C@@H]([N@H+]2C[C@@H](O)[C@@H](O)C2)C1=O ZINC000679319244 488334452 /nfs/dbraw/zinc/33/44/52/488334452.db2.gz DMPOFYOVGZVNID-HLTSFMKQSA-N 1 0 214.265 -1.355 20 0 BAADRO CN1CCC[C@H]([N@H+]2C[C@@H](O)[C@@H](O)C2)C1=O ZINC000679319245 488334627 /nfs/dbraw/zinc/33/46/27/488334627.db2.gz DMPOFYOVGZVNID-XHNCKOQMSA-N 1 0 214.265 -1.355 20 0 BAADRO C[C@@H](CO)C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000679319704 487900047 /nfs/dbraw/zinc/90/00/47/487900047.db2.gz BALCHQKWDAFYLA-HTQZYQBOSA-N 1 0 227.264 -1.149 20 0 BAADRO C[C@H](CO)C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000679319705 487899768 /nfs/dbraw/zinc/89/97/68/487899768.db2.gz BALCHQKWDAFYLA-JGVFFNPUSA-N 1 0 227.264 -1.149 20 0 BAADRO C[C@@H](CO)C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000679319706 487899894 /nfs/dbraw/zinc/89/98/94/487899894.db2.gz BALCHQKWDAFYLA-SFYZADRCSA-N 1 0 227.264 -1.149 20 0 BAADRO C[C@H](CO)C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000679319707 487900173 /nfs/dbraw/zinc/90/01/73/487900173.db2.gz BALCHQKWDAFYLA-YUMQZZPRSA-N 1 0 227.264 -1.149 20 0 BAADRO C[C@@H](C(=O)NCCN1CCNC(=O)C1)[NH+](C)C ZINC000679715401 488365302 /nfs/dbraw/zinc/36/53/02/488365302.db2.gz QZMXJOBPOVIAEE-VIFPVBQESA-N 1 0 242.323 -1.516 20 0 BAADRO C[C@@H](CNC(=O)[C@H](C)[NH+](C)C)S(N)(=O)=O ZINC000679818200 488366620 /nfs/dbraw/zinc/36/66/20/488366620.db2.gz UNPBLRSFIOOIBX-BQBZGAKWSA-N 1 0 237.325 -1.270 20 0 BAADRO C[C@H](CNC(=O)[C@H](C)[NH+](C)C)S(N)(=O)=O ZINC000679818206 488366667 /nfs/dbraw/zinc/36/66/67/488366667.db2.gz UNPBLRSFIOOIBX-RQJHMYQMSA-N 1 0 237.325 -1.270 20 0 BAADRO CNC(=O)[C@H]1CN(C(=O)[C@H](C)[NH+](C)C)CCO1 ZINC000679832958 488367362 /nfs/dbraw/zinc/36/73/62/488367362.db2.gz XDNNSQQWHIDCIR-DTWKUNHWSA-N 1 0 243.307 -1.090 20 0 BAADRO CNC(=O)[C@@H]1CN(C(=O)[C@H](C)[NH+](C)C)CCO1 ZINC000679832959 488367205 /nfs/dbraw/zinc/36/72/05/488367205.db2.gz XDNNSQQWHIDCIR-IUCAKERBSA-N 1 0 243.307 -1.090 20 0 BAADRO CN1CCO[C@@H](C(=O)NCCn2ccnn2)C1 ZINC000679912095 487483631 /nfs/dbraw/zinc/48/36/31/487483631.db2.gz VKLRZZQLCOQCJA-SECBINFHSA-N 1 0 239.279 -1.275 20 0 BAADRO CN1CCO[C@H](C(=O)NCCn2ccnn2)C1 ZINC000679912096 487484257 /nfs/dbraw/zinc/48/42/57/487484257.db2.gz VKLRZZQLCOQCJA-VIFPVBQESA-N 1 0 239.279 -1.275 20 0 BAADRO C[NH+](C)CCOCCNC(=O)C1(C(N)=O)CC1 ZINC000680319185 487560369 /nfs/dbraw/zinc/56/03/69/487560369.db2.gz FMNLYJAJWOXDRO-UHFFFAOYSA-N 1 0 243.307 -1.054 20 0 BAADRO CCC[N@H+](C)CC(=O)NC(CO)CO ZINC000680454262 487596156 /nfs/dbraw/zinc/59/61/56/487596156.db2.gz KJIFACNRALMEOZ-UHFFFAOYSA-N 1 0 204.270 -1.202 20 0 BAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NC(CO)CO ZINC000680455028 487596844 /nfs/dbraw/zinc/59/68/44/487596844.db2.gz XGYOHOZDFIULRH-SECBINFHSA-N 1 0 216.281 -1.060 20 0 BAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC(CO)CO ZINC000680455116 487597028 /nfs/dbraw/zinc/59/70/28/487597028.db2.gz ZEUYDERQZKPHTK-MRVPVSSYSA-N 1 0 202.254 -1.450 20 0 BAADRO C[N@@H+]1CCC[C@H]1C(=O)NC(CO)CO ZINC000680455120 487596751 /nfs/dbraw/zinc/59/67/51/487596751.db2.gz ZEUYDERQZKPHTK-QMMMGPOBSA-N 1 0 202.254 -1.450 20 0 BAADRO CN(C[C@H](O)CO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000680594984 487619509 /nfs/dbraw/zinc/61/95/09/487619509.db2.gz MYSNVTSWUXEOJX-BDAKNGLRSA-N 1 0 216.281 -1.250 20 0 BAADRO CN(C[C@H](O)CO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000680594985 487615306 /nfs/dbraw/zinc/61/53/06/487615306.db2.gz MYSNVTSWUXEOJX-IUCAKERBSA-N 1 0 216.281 -1.250 20 0 BAADRO C[C@@H](C(=O)N(C)C[C@H](O)CO)[NH+](C)C ZINC000680596533 487619946 /nfs/dbraw/zinc/61/99/46/487619946.db2.gz XQHZKMARKGYXSU-YUMQZZPRSA-N 1 0 204.270 -1.252 20 0 BAADRO Cn1nnnc1CCNc1cc[nH+]cc1C(N)=O ZINC000680830498 487655575 /nfs/dbraw/zinc/65/55/75/487655575.db2.gz RYRDOWWFSXOJHS-UHFFFAOYSA-N 1 0 247.262 -1.220 20 0 BAADRO CC[N@H+](CCO)CCNC(=O)C1(C(N)=O)CC1 ZINC000681123290 487734978 /nfs/dbraw/zinc/73/49/78/487734978.db2.gz BRBSSNYMVCFPTK-UHFFFAOYSA-N 1 0 243.307 -1.318 20 0 BAADRO CC[N@H+](CCO)CCNC(=O)Cn1cncn1 ZINC000681123416 487734867 /nfs/dbraw/zinc/73/48/67/487734867.db2.gz ONCSKMNQITXUNK-UHFFFAOYSA-N 1 0 241.295 -1.292 20 0 BAADRO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000681167497 487740948 /nfs/dbraw/zinc/74/09/48/487740948.db2.gz ZCUNYMBDYYRDMD-XHNCKOQMSA-N 1 0 216.281 -1.109 20 0 BAADRO C[C@@H](C(=O)NC(C)(CO)CO)[NH+](C)C ZINC000681338214 487780132 /nfs/dbraw/zinc/78/01/32/487780132.db2.gz BBLFCMBJDJQRJK-ZETCQYMHSA-N 1 0 204.270 -1.204 20 0 BAADRO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H](O)C[C@H]2CO)C1 ZINC000681371919 487787552 /nfs/dbraw/zinc/78/75/52/487787552.db2.gz TVXKIMCYCIDRLU-KXUCPTDWSA-N 1 0 228.292 -1.108 20 0 BAADRO CC1(C)CN(C(=O)CC(N)=O)CC[N@@H+]1CCO ZINC000682006801 487877953 /nfs/dbraw/zinc/87/79/53/487877953.db2.gz OXKTUAWXJZMXIY-UHFFFAOYSA-N 1 0 243.307 -1.223 20 0 BAADRO CNS(=O)(=O)CCNC(=O)[C@H](C)[NH+](C)C ZINC000682254371 487935007 /nfs/dbraw/zinc/93/50/07/487935007.db2.gz PVVBCHLTYMZWCY-ZETCQYMHSA-N 1 0 237.325 -1.398 20 0 BAADRO C[NH+](C)CC(=O)N1C[C@H](O)C[C@H](O)C1 ZINC000682362519 487939137 /nfs/dbraw/zinc/93/91/37/487939137.db2.gz HURNUSLHZUTYDZ-OCAPTIKFSA-N 1 0 202.254 -1.498 20 0 BAADRO O=C(NC(CO)CO)[C@@H]1CCc2nccn2C1 ZINC000682519413 487975459 /nfs/dbraw/zinc/97/54/59/487975459.db2.gz LIGHWTAULCLVBA-MRVPVSSYSA-N 1 0 239.275 -1.085 20 0 BAADRO O=C(NC(CO)CO)[C@H]1CCc2nccn2C1 ZINC000682519414 487975364 /nfs/dbraw/zinc/97/53/64/487975364.db2.gz LIGHWTAULCLVBA-QMMMGPOBSA-N 1 0 239.275 -1.085 20 0 BAADRO Cn1nnnc1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000682826131 488047698 /nfs/dbraw/zinc/04/76/98/488047698.db2.gz OHTNLTPDIIAPAH-SSDOTTSWSA-N 1 0 224.268 -1.080 20 0 BAADRO Cn1nnnc1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000682826133 488047915 /nfs/dbraw/zinc/04/79/15/488047915.db2.gz OHTNLTPDIIAPAH-ZETCQYMHSA-N 1 0 224.268 -1.080 20 0 BAADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(C)(C)O)C1 ZINC000683182084 488124697 /nfs/dbraw/zinc/12/46/97/488124697.db2.gz WNWTVMPLCRJGRM-JTQLQIEISA-N 1 0 216.281 -1.060 20 0 BAADRO CC[N@H+](CCO)CCNC(=O)C(C)(C)C(N)=O ZINC000683501210 488181680 /nfs/dbraw/zinc/18/16/80/488181680.db2.gz PQPWOJBIUYAOMF-UHFFFAOYSA-N 1 0 245.323 -1.072 20 0 BAADRO Cn1nnc(CNC(=O)NCCC[NH+](C)C)n1 ZINC000683819826 488225570 /nfs/dbraw/zinc/22/55/70/488225570.db2.gz YPQRJGMRJXZEDV-UHFFFAOYSA-N 1 0 241.299 -1.039 20 0 BAADRO CC[NH+](CC)CC(=O)NC[C@@H](O)C(N)=O ZINC000683913799 488243585 /nfs/dbraw/zinc/24/35/85/488243585.db2.gz BPJDDRALNYEIMZ-SSDOTTSWSA-N 1 0 217.269 -1.709 20 0 BAADRO CC[NH+](CC)CC(=O)NC[C@H](O)C(N)=O ZINC000683913806 488243854 /nfs/dbraw/zinc/24/38/54/488243854.db2.gz BPJDDRALNYEIMZ-ZETCQYMHSA-N 1 0 217.269 -1.709 20 0 BAADRO CC[N@H+](CC(=O)NC[C@@H](O)C(N)=O)C1CC1 ZINC000683916775 488244424 /nfs/dbraw/zinc/24/44/24/488244424.db2.gz UOOTWNLMRUHLGZ-MRVPVSSYSA-N 1 0 229.280 -1.567 20 0 BAADRO CC[N@H+](CC(=O)NC[C@H](O)C(N)=O)C1CC1 ZINC000683916778 488244161 /nfs/dbraw/zinc/24/41/61/488244161.db2.gz UOOTWNLMRUHLGZ-QMMMGPOBSA-N 1 0 229.280 -1.567 20 0 BAADRO C[NH+]1CC2(C1)CCN(C(=O)Cn1cnnn1)C2 ZINC000684172755 488271728 /nfs/dbraw/zinc/27/17/28/488271728.db2.gz NYPDSAIKNVZLCD-UHFFFAOYSA-N 1 0 236.279 -1.163 20 0 BAADRO CC1CC[NH+](CC(=O)NC[C@@H](O)C(N)=O)CC1 ZINC000684174420 488271840 /nfs/dbraw/zinc/27/18/40/488271840.db2.gz BVQIZXKFSRBYEG-SECBINFHSA-N 1 0 243.307 -1.319 20 0 BAADRO CC1CC[NH+](CC(=O)NC[C@H](O)C(N)=O)CC1 ZINC000684174421 488271684 /nfs/dbraw/zinc/27/16/84/488271684.db2.gz BVQIZXKFSRBYEG-VIFPVBQESA-N 1 0 243.307 -1.319 20 0 BAADRO C[N@H+](C[C@@H](O)CN1C[C@H](O)C[C@H](O)C1)C1CC1 ZINC000685565771 487548693 /nfs/dbraw/zinc/54/86/93/487548693.db2.gz OFGDZOXVJZFJAS-GRYCIOLGSA-N 1 0 244.335 -1.131 20 0 BAADRO C[N@H+](C[C@H](O)CN1C[C@H](O)C[C@H](O)C1)C1CC1 ZINC000685565772 487548929 /nfs/dbraw/zinc/54/89/29/487548929.db2.gz OFGDZOXVJZFJAS-TUAOUCFPSA-N 1 0 244.335 -1.131 20 0 BAADRO C[N@H+](C[C@@H](O)CN1C[C@H](O)C[C@H]1CO)C1CC1 ZINC000685573422 487553720 /nfs/dbraw/zinc/55/37/20/487553720.db2.gz MYSWOEWHJVIGST-QJPTWQEYSA-N 1 0 244.335 -1.131 20 0 BAADRO CN1CCOC[C@H]1C[NH2+]CCS(C)(=O)=O ZINC000700144018 711986619 /nfs/dbraw/zinc/98/66/19/711986619.db2.gz MJNPMTUWLVTXQN-SECBINFHSA-N 1 0 236.337 -1.049 20 0 BAADRO CN1CCOC[C@@H]1C[NH2+]CCS(C)(=O)=O ZINC000700144175 711986717 /nfs/dbraw/zinc/98/67/17/711986717.db2.gz MJNPMTUWLVTXQN-VIFPVBQESA-N 1 0 236.337 -1.049 20 0 BAADRO CN1CCOC[C@H]1CNS(=O)(=O)C1C[NH2+]C1 ZINC000700156411 711986726 /nfs/dbraw/zinc/98/67/26/711986726.db2.gz OKDFAJNMAAFMCO-MRVPVSSYSA-N 1 0 249.336 -1.792 20 0 BAADRO CN1CCOC[C@@H]1CNS(=O)(=O)C1C[NH2+]C1 ZINC000700156413 711986885 /nfs/dbraw/zinc/98/68/85/711986885.db2.gz OKDFAJNMAAFMCO-QMMMGPOBSA-N 1 0 249.336 -1.792 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)NC[C@@H]1COCCN1C ZINC000700214336 711988474 /nfs/dbraw/zinc/98/84/74/711988474.db2.gz YONFRYKDSOVMRO-BDAKNGLRSA-N 1 0 231.296 -1.593 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)NC[C@H]1COCCN1C ZINC000700214339 711988237 /nfs/dbraw/zinc/98/82/37/711988237.db2.gz YONFRYKDSOVMRO-IUCAKERBSA-N 1 0 231.296 -1.593 20 0 BAADRO C[NH2+]CCNC(=O)C1=NN(C)C(=O)CC1 ZINC000700916972 712009936 /nfs/dbraw/zinc/00/99/36/712009936.db2.gz FNCLBNZQXBENLD-UHFFFAOYSA-N 1 0 212.253 -1.070 20 0 BAADRO CN(CC[N@H+](C)CCO)C(=O)[C@@H]1COCCO1 ZINC000701015324 712011890 /nfs/dbraw/zinc/01/18/90/712011890.db2.gz QBUYFFFBWUELTN-JTQLQIEISA-N 1 0 246.307 -1.216 20 0 BAADRO CN(CC[N@H+](C)CCO)C(=O)[C@H]1COCCO1 ZINC000701015325 712011589 /nfs/dbraw/zinc/01/15/89/712011589.db2.gz QBUYFFFBWUELTN-SNVBAGLBSA-N 1 0 246.307 -1.216 20 0 BAADRO C[C@@H]([NH3+])CN(C)C(=O)CN1C(=O)CN(C)C1=O ZINC000701417233 712022790 /nfs/dbraw/zinc/02/27/90/712022790.db2.gz PFPUPFIFVHMIIH-SSDOTTSWSA-N 1 0 242.279 -1.314 20 0 BAADRO C[C@H]([NH3+])CN(C)C(=O)CN1C(=O)CN(C)C1=O ZINC000701417234 712022822 /nfs/dbraw/zinc/02/28/22/712022822.db2.gz PFPUPFIFVHMIIH-ZETCQYMHSA-N 1 0 242.279 -1.314 20 0 BAADRO COC[C@H]([NH3+])C(=O)NCCOC(=O)N(C)C ZINC000701756869 712028807 /nfs/dbraw/zinc/02/88/07/712028807.db2.gz WXMRJLCXIKQUCT-ZETCQYMHSA-N 1 0 233.268 -1.226 20 0 BAADRO CCO[C@H]1CCN(C(=O)C(=O)NCC[NH3+])C1 ZINC000701834229 712030529 /nfs/dbraw/zinc/03/05/29/712030529.db2.gz PCBQZCVHFXWKIK-QMMMGPOBSA-N 1 0 229.280 -1.301 20 0 BAADRO CNS(=O)(=O)NCC12CC(C1)C[NH2+]2 ZINC000701855140 712031439 /nfs/dbraw/zinc/03/14/39/712031439.db2.gz HOIZZMYELIAQRO-UHFFFAOYSA-N 1 0 205.283 -1.208 20 0 BAADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)Cn1cnnn1)C2 ZINC000702047893 712037559 /nfs/dbraw/zinc/03/75/59/712037559.db2.gz FHEWJTITIBBGQZ-WCBMZHEXSA-N 1 0 236.279 -1.259 20 0 BAADRO C[C@]12C[NH2+]C[C@H]1CN(CC(=O)NC(N)=O)C2 ZINC000702056493 712037212 /nfs/dbraw/zinc/03/72/12/712037212.db2.gz VCLVOJHHQNPJLK-OIBJUYFYSA-N 1 0 226.280 -1.277 20 0 BAADRO CNS(=O)(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702112025 712039464 /nfs/dbraw/zinc/03/94/64/712039464.db2.gz VPVNSTIIXAILJY-JGVFFNPUSA-N 1 0 219.310 -1.008 20 0 BAADRO CC[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)C(=O)OC ZINC000702324288 712047044 /nfs/dbraw/zinc/04/70/44/712047044.db2.gz RCUTWROJYRLZJP-JGVFFNPUSA-N 1 0 231.296 -1.057 20 0 BAADRO CC[C@H](NC(=O)[C@@H](N)C[NH+](C)C)C(=O)OC ZINC000702324294 712046882 /nfs/dbraw/zinc/04/68/82/712046882.db2.gz RCUTWROJYRLZJP-YUMQZZPRSA-N 1 0 231.296 -1.057 20 0 BAADRO CN1C[C@H](NC(=O)[C@@H](N)C[NH+](C)C)CC1=O ZINC000702336939 712048006 /nfs/dbraw/zinc/04/80/06/712048006.db2.gz HNAZAMOJUDJVAE-SFYZADRCSA-N 1 0 228.296 -1.778 20 0 BAADRO CN1C[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)CC1=O ZINC000702336941 712048102 /nfs/dbraw/zinc/04/81/02/712048102.db2.gz HNAZAMOJUDJVAE-YUMQZZPRSA-N 1 0 228.296 -1.778 20 0 BAADRO COC(=O)C(C)(C)NC(=O)[C@@H](N)C[NH+](C)C ZINC000702337136 712047554 /nfs/dbraw/zinc/04/75/54/712047554.db2.gz RTYOYBAIBLRHQS-ZETCQYMHSA-N 1 0 231.296 -1.057 20 0 BAADRO C[C@@H]1C(=O)NCCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000702338152 712047574 /nfs/dbraw/zinc/04/75/74/712047574.db2.gz NKLVIWVBBPTAGO-SFYZADRCSA-N 1 0 228.296 -1.778 20 0 BAADRO C[C@H]1C(=O)NCCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000702338156 711869374 /nfs/dbraw/zinc/86/93/74/711869374.db2.gz NKLVIWVBBPTAGO-YUMQZZPRSA-N 1 0 228.296 -1.778 20 0 BAADRO CN1CCN(C(=O)[C@@H](N)C[NH+](C)C)CC1=O ZINC000702340804 712047916 /nfs/dbraw/zinc/04/79/16/712047916.db2.gz YUWPUGQRJVRTOO-QMMMGPOBSA-N 1 0 228.296 -1.824 20 0 BAADRO CC[C@@H]1C(=O)NCCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000702342475 712045850 /nfs/dbraw/zinc/04/58/50/712045850.db2.gz NGKMUEVWRICCLY-DTWKUNHWSA-N 1 0 242.323 -1.388 20 0 BAADRO CC[C@H]1C(=O)NCCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000702342479 712046048 /nfs/dbraw/zinc/04/60/48/712046048.db2.gz NGKMUEVWRICCLY-IUCAKERBSA-N 1 0 242.323 -1.388 20 0 BAADRO C[NH+](C)C[C@H](N)C(=O)N[C@@H]1CCCCNC1=O ZINC000702343172 712045863 /nfs/dbraw/zinc/04/58/63/712045863.db2.gz UGCCLCYGRPLXLK-DTWKUNHWSA-N 1 0 242.323 -1.340 20 0 BAADRO C[NH+](C)C[C@H](N)C(=O)N[C@H]1CCCCNC1=O ZINC000702343173 712045580 /nfs/dbraw/zinc/04/55/80/712045580.db2.gz UGCCLCYGRPLXLK-IUCAKERBSA-N 1 0 242.323 -1.340 20 0 BAADRO CN(CC(=O)NC1CC1)C(=O)[C@@H](N)C[NH+](C)C ZINC000702343195 712045716 /nfs/dbraw/zinc/04/57/16/712045716.db2.gz URCPZTBVDHFBKJ-VIFPVBQESA-N 1 0 242.323 -1.388 20 0 BAADRO C[NH+](C)C[C@H](N)C(=O)N1CCNC(=O)C1(C)C ZINC000702343411 711869279 /nfs/dbraw/zinc/86/92/79/711869279.db2.gz XPECVFIMPJIVFQ-QMMMGPOBSA-N 1 0 242.323 -1.388 20 0 BAADRO CN(C)C(=O)OCCNC(=O)[C@@H](N)C[NH+](C)C ZINC000702350651 712046382 /nfs/dbraw/zinc/04/63/82/712046382.db2.gz PNZMMBZJLJUJKE-QMMMGPOBSA-N 1 0 246.311 -1.310 20 0 BAADRO COCCN(C)C(=O)[C@@H](N)C[NH+](C)C ZINC000702368651 712048517 /nfs/dbraw/zinc/04/85/17/712048517.db2.gz CBPPSZBDTOWXIP-QMMMGPOBSA-N 1 0 203.286 -1.020 20 0 BAADRO CCN(CC(=O)NC)C(=O)[C@@H](N)C[NH+](C)C ZINC000702369848 712048742 /nfs/dbraw/zinc/04/87/42/712048742.db2.gz GPFWCASDDHQULE-QMMMGPOBSA-N 1 0 230.312 -1.530 20 0 BAADRO C[NH+](C)C[C@H](N)C(=O)N1CCOCC1 ZINC000702370080 712048537 /nfs/dbraw/zinc/04/85/37/712048537.db2.gz LMMVWPMIPPIRJN-QMMMGPOBSA-N 1 0 201.270 -1.266 20 0 BAADRO CCCNC(=O)CNC(=O)[C@@H](N)C[NH+](C)C ZINC000702371237 712049546 /nfs/dbraw/zinc/04/95/46/712049546.db2.gz JUFJZHPYCIUDQO-QMMMGPOBSA-N 1 0 230.312 -1.482 20 0 BAADRO CN(C)C(=O)CN(C)C(=O)[C@@H](N)C[NH+](C)C ZINC000702373637 712049340 /nfs/dbraw/zinc/04/93/40/712049340.db2.gz UYEFUVRIQUPHCR-QMMMGPOBSA-N 1 0 230.312 -1.578 20 0 BAADRO CN1CCN(C(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000702382459 712049082 /nfs/dbraw/zinc/04/90/82/712049082.db2.gz AQWKMDQXIFEYDT-VIFPVBQESA-N 1 0 214.313 -1.351 20 0 BAADRO C[NH+](C)C[C@H](N)C(=O)N1CCNC(=O)C1 ZINC000702384414 712049088 /nfs/dbraw/zinc/04/90/88/712049088.db2.gz IAZXYVZRIRNALS-ZETCQYMHSA-N 1 0 214.269 -2.166 20 0 BAADRO CCN(C)C(=O)CNC(=O)[C@@H](N)C[NH+](C)C ZINC000702385653 712049552 /nfs/dbraw/zinc/04/95/52/712049552.db2.gz DGFWTTYWTJZMTQ-QMMMGPOBSA-N 1 0 230.312 -1.530 20 0 BAADRO CCNC(=O)CN(C)C(=O)[C@@H](N)C[NH+](C)C ZINC000702386039 712049625 /nfs/dbraw/zinc/04/96/25/712049625.db2.gz GRGHPPFBVITAAO-QMMMGPOBSA-N 1 0 230.312 -1.530 20 0 BAADRO COC(=O)CCCNC(=O)[C@@H](N)C[NH+](C)C ZINC000702386046 712049125 /nfs/dbraw/zinc/04/91/25/712049125.db2.gz GUCFAZDELBLIOV-QMMMGPOBSA-N 1 0 231.296 -1.055 20 0 BAADRO CCOC(=O)CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000702388332 712050140 /nfs/dbraw/zinc/05/01/40/712050140.db2.gz SQXDTSUTRHEYLJ-QMMMGPOBSA-N 1 0 231.296 -1.055 20 0 BAADRO COC(=O)N(C)CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000702391474 712050293 /nfs/dbraw/zinc/05/02/93/712050293.db2.gz NUQQKXGFVAKSAW-QMMMGPOBSA-N 1 0 246.311 -1.310 20 0 BAADRO CN1CCOC[C@@H]1CNC(=O)[C@@H](N)C[NH+](C)C ZINC000702392045 712050361 /nfs/dbraw/zinc/05/03/61/712050361.db2.gz RFCPCLMQYOPVBP-UWVGGRQHSA-N 1 0 244.339 -1.678 20 0 BAADRO CN1CCOC[C@H]1CNC(=O)[C@@H](N)C[NH+](C)C ZINC000702392047 712050338 /nfs/dbraw/zinc/05/03/38/712050338.db2.gz RFCPCLMQYOPVBP-ZJUUUORDSA-N 1 0 244.339 -1.678 20 0 BAADRO COC(=O)CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000702401510 712051031 /nfs/dbraw/zinc/05/10/31/712051031.db2.gz MHAWFIGDWGYTQC-ZETCQYMHSA-N 1 0 217.269 -1.445 20 0 BAADRO CCOC(=O)CNC(=O)[C@@H](N)C[NH+](C)C ZINC000702408444 712050884 /nfs/dbraw/zinc/05/08/84/712050884.db2.gz KIEICZFTJJKOQU-ZETCQYMHSA-N 1 0 217.269 -1.445 20 0 BAADRO C[NH+](C)C[C@H](N)C(=O)NCCn1cccn1 ZINC000702414325 712051851 /nfs/dbraw/zinc/05/18/51/712051851.db2.gz MEZMUGYANJKEMZ-VIFPVBQESA-N 1 0 225.296 -1.112 20 0 BAADRO CCNC(=O)CN(CC)C(=O)[C@@H](N)C[NH+](C)C ZINC000702425931 712052582 /nfs/dbraw/zinc/05/25/82/712052582.db2.gz BPRTURBVWOIKNB-VIFPVBQESA-N 1 0 244.339 -1.140 20 0 BAADRO CC(C)C(=O)NCCNC(=O)[C@@H](N)C[NH+](C)C ZINC000702426496 712052555 /nfs/dbraw/zinc/05/25/55/712052555.db2.gz CKUMCFPOAVWWAY-VIFPVBQESA-N 1 0 244.339 -1.236 20 0 BAADRO CNC(=O)C(C)(C)CNC(=O)[C@@H](N)C[NH+](C)C ZINC000702426532 712052352 /nfs/dbraw/zinc/05/23/52/712052352.db2.gz CYEAAVMRFNVCLM-QMMMGPOBSA-N 1 0 244.339 -1.236 20 0 BAADRO C[NH+](C)C[C@H](N)C(=O)NCCN1CCOCC1 ZINC000702426550 712052534 /nfs/dbraw/zinc/05/25/34/712052534.db2.gz DBOZLEUIWRSUIO-JTQLQIEISA-N 1 0 244.339 -1.676 20 0 BAADRO CCCCN(CC(N)=O)C(=O)[C@@H](N)C[NH+](C)C ZINC000702427170 712052470 /nfs/dbraw/zinc/05/24/70/712052470.db2.gz FASSRHFIPZTUJA-VIFPVBQESA-N 1 0 244.339 -1.011 20 0 BAADRO COCCN(CCOC)C(=O)[C@@H](N)C[NH+](C)C ZINC000702427175 712052355 /nfs/dbraw/zinc/05/23/55/712052355.db2.gz FELGUIPYOJBPRC-JTQLQIEISA-N 1 0 247.339 -1.003 20 0 BAADRO C[NH+](C)C[C@H](N)C(=O)N1CCN(CCO)CC1 ZINC000702427217 712052519 /nfs/dbraw/zinc/05/25/19/712052519.db2.gz FLOGSVMINQSUJA-JTQLQIEISA-N 1 0 244.339 -1.988 20 0 BAADRO CCN(CC)C(=O)CNC(=O)[C@@H](N)C[NH+](C)C ZINC000702427322 712052184 /nfs/dbraw/zinc/05/21/84/712052184.db2.gz FVQJSHZOXKTNSO-VIFPVBQESA-N 1 0 244.339 -1.140 20 0 BAADRO CNC(=O)[C@H](C)CN(C)C(=O)[C@@H](N)C[NH+](C)C ZINC000702428085 712052317 /nfs/dbraw/zinc/05/23/17/712052317.db2.gz HJUWONIQJOZFAD-BDAKNGLRSA-N 1 0 244.339 -1.284 20 0 BAADRO CNC(=O)[C@@H](C)CN(C)C(=O)[C@@H](N)C[NH+](C)C ZINC000702428088 712052489 /nfs/dbraw/zinc/05/24/89/712052489.db2.gz HJUWONIQJOZFAD-IUCAKERBSA-N 1 0 244.339 -1.284 20 0 BAADRO CC(C)CN(CC(N)=O)C(=O)[C@@H](N)C[NH+](C)C ZINC000702429588 712052274 /nfs/dbraw/zinc/05/22/74/712052274.db2.gz LODRKGZAXMOSJH-VIFPVBQESA-N 1 0 244.339 -1.155 20 0 BAADRO CCN1C[C@H](NC(=O)[C@@H](N)C[NH+](C)C)CC1=O ZINC000702430284 712052571 /nfs/dbraw/zinc/05/25/71/712052571.db2.gz NQADKIASXHWJSV-BDAKNGLRSA-N 1 0 242.323 -1.388 20 0 BAADRO CCN1C[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)CC1=O ZINC000702430598 712052557 /nfs/dbraw/zinc/05/25/57/712052557.db2.gz NQADKIASXHWJSV-IUCAKERBSA-N 1 0 242.323 -1.388 20 0 BAADRO CC(C)OC(=O)CNC(=O)[C@@H](N)C[NH+](C)C ZINC000702430660 712052281 /nfs/dbraw/zinc/05/22/81/712052281.db2.gz OGGSVPRFGHHEGY-QMMMGPOBSA-N 1 0 231.296 -1.057 20 0 BAADRO CCN(CC(=O)N(C)C)C(=O)[C@@H](N)C[NH+](C)C ZINC000702430723 712052345 /nfs/dbraw/zinc/05/23/45/712052345.db2.gz OSDUCORRRNLPAJ-VIFPVBQESA-N 1 0 244.339 -1.188 20 0 BAADRO CC(C)NC(=O)CN(C)C(=O)[C@@H](N)C[NH+](C)C ZINC000702430752 712052348 /nfs/dbraw/zinc/05/23/48/712052348.db2.gz OTIHMBFOFOXVQS-VIFPVBQESA-N 1 0 244.339 -1.142 20 0 BAADRO CCCN(CC(=O)NC)C(=O)[C@@H](N)C[NH+](C)C ZINC000702430810 712052389 /nfs/dbraw/zinc/05/23/89/712052389.db2.gz PTSVYCKTQXCWGK-VIFPVBQESA-N 1 0 244.339 -1.140 20 0 BAADRO CC(C)NC(=O)CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000702431018 712052526 /nfs/dbraw/zinc/05/25/26/712052526.db2.gz QPILMUVMTFZNBN-VIFPVBQESA-N 1 0 244.339 -1.094 20 0 BAADRO CCCNC(=O)CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000702431296 712052410 /nfs/dbraw/zinc/05/24/10/712052410.db2.gz SAPRTQNYXASHEV-VIFPVBQESA-N 1 0 244.339 -1.092 20 0 BAADRO C[NH+](C)C[C@H](N)C(=O)NCCOCCF ZINC000702559143 712055102 /nfs/dbraw/zinc/05/51/02/712055102.db2.gz LUKNFYACCFMABM-QMMMGPOBSA-N 1 0 221.276 -1.022 20 0 BAADRO O=S(=O)(NCCOCCF)C1C[NH2+]C1 ZINC000702574048 712055651 /nfs/dbraw/zinc/05/56/51/712055651.db2.gz PLJBPUPYMBKSQT-UHFFFAOYSA-N 1 0 226.273 -1.136 20 0 BAADRO CC[NH2+]CC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000702987125 712062635 /nfs/dbraw/zinc/06/26/35/712062635.db2.gz DGYQPOHUOMKMFQ-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO CC[NH2+]CC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000702987127 712062502 /nfs/dbraw/zinc/06/25/02/712062502.db2.gz DGYQPOHUOMKMFQ-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO CN(C)C(=O)OCCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000703124372 712067417 /nfs/dbraw/zinc/06/74/17/712067417.db2.gz PBJOIQCQOLSTPV-JGVFFNPUSA-N 1 0 245.279 -1.083 20 0 BAADRO CCN(CC(=O)NC)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000703167193 712067175 /nfs/dbraw/zinc/06/71/75/712067175.db2.gz CYTLQLNOWJHVCH-IONNQARKSA-N 1 0 229.280 -1.303 20 0 BAADRO COC(=O)N(C)CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000703208684 711873178 /nfs/dbraw/zinc/87/31/78/711873178.db2.gz LEFCFELMSCFIEH-JGVFFNPUSA-N 1 0 245.279 -1.083 20 0 BAADRO COC(=O)CN1CCOC[C@@]1(C[NH3+])CO ZINC000703212396 712068246 /nfs/dbraw/zinc/06/82/46/712068246.db2.gz DZDNNJFHSWKWLW-SECBINFHSA-N 1 0 218.253 -1.819 20 0 BAADRO COC(=O)CN1CCOC[C@]1(C[NH3+])CO ZINC000703212401 712068584 /nfs/dbraw/zinc/06/85/84/712068584.db2.gz DZDNNJFHSWKWLW-VIFPVBQESA-N 1 0 218.253 -1.819 20 0 BAADRO Cn1nccc1CN1CCOC[C@@]1(C[NH3+])CO ZINC000703215486 712068345 /nfs/dbraw/zinc/06/83/45/712068345.db2.gz SYUJMYQNYBIFQF-LLVKDONJSA-N 1 0 240.307 -1.058 20 0 BAADRO Cn1nccc1CN1CCOC[C@]1(C[NH3+])CO ZINC000703215487 712068352 /nfs/dbraw/zinc/06/83/52/712068352.db2.gz SYUJMYQNYBIFQF-NSHDSACASA-N 1 0 240.307 -1.058 20 0 BAADRO Cc1nonc1CN1CCOC[C@]1(C[NH3+])CO ZINC000703228511 712068768 /nfs/dbraw/zinc/06/87/68/712068768.db2.gz BASPIDRSSIJQQO-JTQLQIEISA-N 1 0 242.279 -1.100 20 0 BAADRO Cc1nonc1CN1CCOC[C@@]1(C[NH3+])CO ZINC000703228512 712068810 /nfs/dbraw/zinc/06/88/10/712068810.db2.gz BASPIDRSSIJQQO-SNVBAGLBSA-N 1 0 242.279 -1.100 20 0 BAADRO Cn1cncc1CN1CCOC[C@@]1(C[NH3+])CO ZINC000703230212 712068763 /nfs/dbraw/zinc/06/87/63/712068763.db2.gz PTCWHZCUQHZNNY-LLVKDONJSA-N 1 0 240.307 -1.058 20 0 BAADRO Cn1cncc1CN1CCOC[C@]1(C[NH3+])CO ZINC000703230213 712068820 /nfs/dbraw/zinc/06/88/20/712068820.db2.gz PTCWHZCUQHZNNY-NSHDSACASA-N 1 0 240.307 -1.058 20 0 BAADRO CN(C)C(=O)CCN1CCOC[C@@]1(C[NH3+])CO ZINC000703258288 712070036 /nfs/dbraw/zinc/07/00/36/712070036.db2.gz VXJHSWVIRJEQHM-LLVKDONJSA-N 1 0 245.323 -1.513 20 0 BAADRO CN(C)C(=O)CCN1CCOC[C@]1(C[NH3+])CO ZINC000703258299 712070153 /nfs/dbraw/zinc/07/01/53/712070153.db2.gz VXJHSWVIRJEQHM-NSHDSACASA-N 1 0 245.323 -1.513 20 0 BAADRO COCCN(CCOC)C(=O)C[C@@H](O)C[NH3+] ZINC000703355060 712073492 /nfs/dbraw/zinc/07/34/92/712073492.db2.gz KNRVOIOFMPKFFC-SECBINFHSA-N 1 0 234.296 -1.183 20 0 BAADRO COCCN(CCOC)C(=O)C[C@H](O)C[NH3+] ZINC000703355061 712073260 /nfs/dbraw/zinc/07/32/60/712073260.db2.gz KNRVOIOFMPKFFC-VIFPVBQESA-N 1 0 234.296 -1.183 20 0 BAADRO CN(C(=O)[C@@H](N)C[NH+](C)C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000703502073 712077203 /nfs/dbraw/zinc/07/72/03/712077203.db2.gz DOYRCSUCGQPDAL-YIZRAAEISA-N 1 0 242.323 -1.402 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000703506301 712077568 /nfs/dbraw/zinc/07/75/68/712077568.db2.gz OSBZKZHSPIHJQQ-RNJXMRFFSA-N 1 0 229.280 -1.318 20 0 BAADRO CNC(=O)NC(=O)CN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703559019 712079319 /nfs/dbraw/zinc/07/93/19/712079319.db2.gz YLHAFSVOTREVGE-GZMMTYOYSA-N 1 0 240.307 -1.017 20 0 BAADRO CCOC[C@H](O)CN1CCOC[C@@]1(C[NH3+])CO ZINC000703791753 712088343 /nfs/dbraw/zinc/08/83/43/712088343.db2.gz COQRQGUGKIHHDF-GHMZBOCLSA-N 1 0 248.323 -1.594 20 0 BAADRO CCOC[C@H](O)CN1CCOC[C@]1(C[NH3+])CO ZINC000703791819 712088069 /nfs/dbraw/zinc/08/80/69/712088069.db2.gz COQRQGUGKIHHDF-MNOVXSKESA-N 1 0 248.323 -1.594 20 0 BAADRO CCOC[C@@H](O)CN1CCOC[C@]1(C[NH3+])CO ZINC000703791824 712088265 /nfs/dbraw/zinc/08/82/65/712088265.db2.gz COQRQGUGKIHHDF-QWRGUYRKSA-N 1 0 248.323 -1.594 20 0 BAADRO CCOC[C@@H](O)CN1CCOC[C@@]1(C[NH3+])CO ZINC000703791829 712088460 /nfs/dbraw/zinc/08/84/60/712088460.db2.gz COQRQGUGKIHHDF-WDEREUQCSA-N 1 0 248.323 -1.594 20 0 BAADRO COC(=O)CCCN1CCOC[C@@]1(C[NH3+])CO ZINC000703793676 712087477 /nfs/dbraw/zinc/08/74/77/712087477.db2.gz MPAQEBDTQAAHTE-LLVKDONJSA-N 1 0 246.307 -1.038 20 0 BAADRO COC(=O)CCCN1CCOC[C@]1(C[NH3+])CO ZINC000703793678 712087285 /nfs/dbraw/zinc/08/72/85/712087285.db2.gz MPAQEBDTQAAHTE-NSHDSACASA-N 1 0 246.307 -1.038 20 0 BAADRO CCN(CC(=O)NC)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000704350146 712104640 /nfs/dbraw/zinc/10/46/40/712104640.db2.gz KTJRMSFHYVZAOK-SECBINFHSA-N 1 0 243.307 -1.183 20 0 BAADRO CCN(CC(=O)NC)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000704350149 712104889 /nfs/dbraw/zinc/10/48/89/712104889.db2.gz KTJRMSFHYVZAOK-VIFPVBQESA-N 1 0 243.307 -1.183 20 0 BAADRO CN1CCC[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)C1=O ZINC000704367113 712104935 /nfs/dbraw/zinc/10/49/35/712104935.db2.gz GEKMYESDLBHMNZ-DTWKUNHWSA-N 1 0 242.323 -1.388 20 0 BAADRO CN1CCC[C@H](NC(=O)[C@@H](N)C[NH+](C)C)C1=O ZINC000704367115 712105083 /nfs/dbraw/zinc/10/50/83/712105083.db2.gz GEKMYESDLBHMNZ-IUCAKERBSA-N 1 0 242.323 -1.388 20 0 BAADRO COC(=O)[C@H](C)NC(=O)[C@@H](N)C[NH+](C)C ZINC000705341933 712129074 /nfs/dbraw/zinc/12/90/74/712129074.db2.gz FGRXNLGHPOLIKJ-BQBZGAKWSA-N 1 0 217.269 -1.447 20 0 BAADRO COC(=O)[C@@H](C)NC(=O)[C@@H](N)C[NH+](C)C ZINC000705341938 712129399 /nfs/dbraw/zinc/12/93/99/712129399.db2.gz FGRXNLGHPOLIKJ-RQJHMYQMSA-N 1 0 217.269 -1.447 20 0 BAADRO CCOC(=O)[C@@H](C)NC(=O)[C@@H](N)C[NH+](C)C ZINC000705355208 712130038 /nfs/dbraw/zinc/13/00/38/712130038.db2.gz ZTLABMQXAWOXDF-SFYZADRCSA-N 1 0 231.296 -1.057 20 0 BAADRO CCOC(=O)[C@H](C)NC(=O)[C@@H](N)C[NH+](C)C ZINC000705355212 712129929 /nfs/dbraw/zinc/12/99/29/712129929.db2.gz ZTLABMQXAWOXDF-YUMQZZPRSA-N 1 0 231.296 -1.057 20 0 BAADRO CCN(C)C(=O)[C@@H](C)NC(=O)[C@@H](N)C[NH+](C)C ZINC000705369349 712130823 /nfs/dbraw/zinc/13/08/23/712130823.db2.gz VDXWBBCGNYVNDX-BDAKNGLRSA-N 1 0 244.339 -1.142 20 0 BAADRO CCN(C)C(=O)[C@H](C)NC(=O)[C@@H](N)C[NH+](C)C ZINC000705369351 712130962 /nfs/dbraw/zinc/13/09/62/712130962.db2.gz VDXWBBCGNYVNDX-IUCAKERBSA-N 1 0 244.339 -1.142 20 0 BAADRO CN1CCN(C(=O)[C@@H](N)C[NH+](C)C)CCC1=O ZINC000705372314 711902142 /nfs/dbraw/zinc/90/21/42/711902142.db2.gz LJISYHGRJHWBRG-VIFPVBQESA-N 1 0 242.323 -1.434 20 0 BAADRO CNC(=O)[C@H]1CCCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000705373145 712130830 /nfs/dbraw/zinc/13/08/30/712130830.db2.gz VBXDAQYYRCPIDX-DTWKUNHWSA-N 1 0 242.323 -1.388 20 0 BAADRO CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000705373147 712130574 /nfs/dbraw/zinc/13/05/74/712130574.db2.gz VBXDAQYYRCPIDX-IUCAKERBSA-N 1 0 242.323 -1.388 20 0 BAADRO C[NH+](C)C[C@H](N)C(=O)NCC(=O)NCC1CC1 ZINC000705395333 712130333 /nfs/dbraw/zinc/13/03/33/712130333.db2.gz XNXMEXYAIDAAGA-VIFPVBQESA-N 1 0 242.323 -1.482 20 0 BAADRO C[NH+](C)C[C@H](N)C(=O)NCC1(CO)CC1 ZINC000705395409 712130611 /nfs/dbraw/zinc/13/06/11/712130611.db2.gz YURFLQDKUMPZPY-QMMMGPOBSA-N 1 0 215.297 -1.236 20 0 BAADRO COC(=O)CN1C(=O)N[C@]2(CCC[NH2+]C2)C1=O ZINC000705536227 712133062 /nfs/dbraw/zinc/13/30/62/712133062.db2.gz YHNBQJSSCNCWPS-JTQLQIEISA-N 1 0 241.247 -1.167 20 0 BAADRO COC(=O)CN1C(=O)N[C@@]2(CCC[NH2+]C2)C1=O ZINC000705536229 712132717 /nfs/dbraw/zinc/13/27/17/712132717.db2.gz YHNBQJSSCNCWPS-SNVBAGLBSA-N 1 0 241.247 -1.167 20 0 BAADRO CN1CC[NH+]=C1NC[C@@]1(O)CC[N@H+](C)C1 ZINC000705729599 712135770 /nfs/dbraw/zinc/13/57/70/712135770.db2.gz WTXXCQFJUBTLKB-JTQLQIEISA-N 1 0 212.297 -1.056 20 0 BAADRO CN1CC[NH+]=C1NC[C@]1(O)CC[N@H+](C)C1 ZINC000705729601 712135870 /nfs/dbraw/zinc/13/58/70/712135870.db2.gz WTXXCQFJUBTLKB-SNVBAGLBSA-N 1 0 212.297 -1.056 20 0 BAADRO CNS(=O)(=O)NCCOCC[NH2+]C ZINC000705927622 712138424 /nfs/dbraw/zinc/13/84/24/712138424.db2.gz QATWCZBKCLDMQR-UHFFFAOYSA-N 1 0 211.287 -1.724 20 0 BAADRO CN1N=C(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCC1=O ZINC000705984551 712138901 /nfs/dbraw/zinc/13/89/01/712138901.db2.gz NLMGKUTUSZBFEM-MTBHXBHISA-N 1 0 236.275 -1.071 20 0 BAADRO CNS(=O)(=O)N(C)CCOCC[NH2+]C ZINC000706679023 712151561 /nfs/dbraw/zinc/15/15/61/712151561.db2.gz JIOHNTUJTUVYJO-UHFFFAOYSA-N 1 0 225.314 -1.382 20 0 BAADRO C[NH2+]CCN(C)C(=O)[C@@H](C)N1CCNCC1=O ZINC000706725164 712153538 /nfs/dbraw/zinc/15/35/38/712153538.db2.gz BHKOJHVXFGOMAB-SECBINFHSA-N 1 0 242.323 -1.516 20 0 BAADRO C[NH2+]CCN(C)C(=O)[C@H](C)N1CCNCC1=O ZINC000706725166 712153553 /nfs/dbraw/zinc/15/35/53/712153553.db2.gz BHKOJHVXFGOMAB-VIFPVBQESA-N 1 0 242.323 -1.516 20 0 BAADRO CCN(CC(=O)OC)C(=O)[C@@H](N)C[NH+](C)C ZINC000707264178 712167820 /nfs/dbraw/zinc/16/78/20/712167820.db2.gz BJKCXYWXHDXYEH-QMMMGPOBSA-N 1 0 231.296 -1.103 20 0 BAADRO CCN(CC(=O)OC)C(=O)COCC[NH3+] ZINC000707276782 712166808 /nfs/dbraw/zinc/16/68/08/712166808.db2.gz UILHPLOTXFOEIG-UHFFFAOYSA-N 1 0 218.253 -1.017 20 0 BAADRO CCN(CC(=O)OC)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000707293133 712169329 /nfs/dbraw/zinc/16/93/29/712169329.db2.gz GPHUPKPJNURXLG-QMMMGPOBSA-N 1 0 230.264 -1.004 20 0 BAADRO CC[NH2+]CC(=O)N1CCO[C@@H](C(=O)OC)C1 ZINC000707335434 712168647 /nfs/dbraw/zinc/16/86/47/712168647.db2.gz YEJNIAXXRWTGMI-MRVPVSSYSA-N 1 0 230.264 -1.004 20 0 BAADRO CC[NH2+]CC(=O)N1CCO[C@H](C(=O)OC)C1 ZINC000707335436 712168729 /nfs/dbraw/zinc/16/87/29/712168729.db2.gz YEJNIAXXRWTGMI-QMMMGPOBSA-N 1 0 230.264 -1.004 20 0 BAADRO COC(=O)[C@H]1COCCN1C(=O)COCC[NH3+] ZINC000707357470 712168480 /nfs/dbraw/zinc/16/84/80/712168480.db2.gz UOMZIRUWPBMSKT-MRVPVSSYSA-N 1 0 246.263 -1.638 20 0 BAADRO COC(=O)[C@@H]1COCCN1C(=O)COCC[NH3+] ZINC000707357471 712168316 /nfs/dbraw/zinc/16/83/16/712168316.db2.gz UOMZIRUWPBMSKT-QMMMGPOBSA-N 1 0 246.263 -1.638 20 0 BAADRO CC[NH2+]CC(=O)N1CCOC[C@@H]1C(=O)OC ZINC000707397074 712169830 /nfs/dbraw/zinc/16/98/30/712169830.db2.gz JMRRKGQCYKRSPF-MRVPVSSYSA-N 1 0 230.264 -1.004 20 0 BAADRO CC[NH2+]CC(=O)N1CCOC[C@H]1C(=O)OC ZINC000707397075 712170280 /nfs/dbraw/zinc/17/02/80/712170280.db2.gz JMRRKGQCYKRSPF-QMMMGPOBSA-N 1 0 230.264 -1.004 20 0 BAADRO NC(=O)CN1CCC[C@@H]([NH2+]CCO)C1 ZINC000708548089 712212476 /nfs/dbraw/zinc/21/24/76/712212476.db2.gz QBJCWBXDOSWCFX-MRVPVSSYSA-N 1 0 201.270 -1.482 20 0 BAADRO NC(=O)CN1CCC[C@H]([NH2+]CCO)C1 ZINC000708548092 712212619 /nfs/dbraw/zinc/21/26/19/712212619.db2.gz QBJCWBXDOSWCFX-QMMMGPOBSA-N 1 0 201.270 -1.482 20 0 BAADRO C[C@H](C(N)=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC000708551481 712212503 /nfs/dbraw/zinc/21/25/03/712212503.db2.gz DVOFEZBJWVSKSV-BDAKNGLRSA-N 1 0 215.297 -1.094 20 0 BAADRO C[C@@H](C(N)=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000708551483 712212916 /nfs/dbraw/zinc/21/29/16/712212916.db2.gz DVOFEZBJWVSKSV-DTWKUNHWSA-N 1 0 215.297 -1.094 20 0 BAADRO C[C@@H](C(N)=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC000708551485 712212946 /nfs/dbraw/zinc/21/29/46/712212946.db2.gz DVOFEZBJWVSKSV-IUCAKERBSA-N 1 0 215.297 -1.094 20 0 BAADRO C[C@H](C(N)=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000708551487 712212430 /nfs/dbraw/zinc/21/24/30/712212430.db2.gz DVOFEZBJWVSKSV-RKDXNWHRSA-N 1 0 215.297 -1.094 20 0 BAADRO CNC(=O)CN1CCC[C@@H]([NH2+]CCO)C1 ZINC000708551544 712212588 /nfs/dbraw/zinc/21/25/88/712212588.db2.gz IKLVADCXQSGWLW-SECBINFHSA-N 1 0 215.297 -1.221 20 0 BAADRO CNC(=O)CN1CCC[C@H]([NH2+]CCO)C1 ZINC000708551547 712212843 /nfs/dbraw/zinc/21/28/43/712212843.db2.gz IKLVADCXQSGWLW-VIFPVBQESA-N 1 0 215.297 -1.221 20 0 BAADRO O=C(c1nc[nH]n1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000708559977 712212575 /nfs/dbraw/zinc/21/25/75/712212575.db2.gz FDEOGDSOWNBSTM-MRVPVSSYSA-N 1 0 239.279 -1.009 20 0 BAADRO O=C(c1nc[nH]n1)N1CCC[C@H]([NH2+]CCO)C1 ZINC000708559979 712212747 /nfs/dbraw/zinc/21/27/47/712212747.db2.gz FDEOGDSOWNBSTM-QMMMGPOBSA-N 1 0 239.279 -1.009 20 0 BAADRO O=C(c1cn[nH]n1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000708560022 712212470 /nfs/dbraw/zinc/21/24/70/712212470.db2.gz HZYNBNMEVJSZGB-MRVPVSSYSA-N 1 0 239.279 -1.009 20 0 BAADRO O=C(c1cn[nH]n1)N1CCC[C@H]([NH2+]CCO)C1 ZINC000708560023 712212761 /nfs/dbraw/zinc/21/27/61/712212761.db2.gz HZYNBNMEVJSZGB-QMMMGPOBSA-N 1 0 239.279 -1.009 20 0 BAADRO O=C1NCC[C@H]1N1CCC[C@@H]([NH2+]CCO)C1 ZINC000708579631 712214208 /nfs/dbraw/zinc/21/42/08/712214208.db2.gz BZAFECQBXZAHIX-NXEZZACHSA-N 1 0 227.308 -1.079 20 0 BAADRO O=C1NCC[C@@H]1N1CCC[C@H]([NH2+]CCO)C1 ZINC000708579632 712214102 /nfs/dbraw/zinc/21/41/02/712214102.db2.gz BZAFECQBXZAHIX-UWVGGRQHSA-N 1 0 227.308 -1.079 20 0 BAADRO O=C1NCC[C@H]1N1CCC[C@H]([NH2+]CCO)C1 ZINC000708579633 712214135 /nfs/dbraw/zinc/21/41/35/712214135.db2.gz BZAFECQBXZAHIX-VHSXEESVSA-N 1 0 227.308 -1.079 20 0 BAADRO O=C1NCC[C@@H]1N1CCC[C@@H]([NH2+]CCO)C1 ZINC000708579634 712214129 /nfs/dbraw/zinc/21/41/29/712214129.db2.gz BZAFECQBXZAHIX-ZJUUUORDSA-N 1 0 227.308 -1.079 20 0 BAADRO Cn1nnc(CN2CCC[C@@H]([NH2+]CCO)C2)n1 ZINC000708579912 712214138 /nfs/dbraw/zinc/21/41/38/712214138.db2.gz DWMUZAPECQUFHE-SECBINFHSA-N 1 0 240.311 -1.244 20 0 BAADRO Cn1nnc(CN2CCC[C@H]([NH2+]CCO)C2)n1 ZINC000708579918 712213965 /nfs/dbraw/zinc/21/39/65/712213965.db2.gz DWMUZAPECQUFHE-VIFPVBQESA-N 1 0 240.311 -1.244 20 0 BAADRO Cn1nnnc1CN1CCC[C@@H]([NH2+]CCO)C1 ZINC000708582425 712214273 /nfs/dbraw/zinc/21/42/73/712214273.db2.gz KTUKWHOXLALISU-SECBINFHSA-N 1 0 240.311 -1.244 20 0 BAADRO Cn1nnnc1CN1CCC[C@H]([NH2+]CCO)C1 ZINC000708582426 712214256 /nfs/dbraw/zinc/21/42/56/712214256.db2.gz KTUKWHOXLALISU-VIFPVBQESA-N 1 0 240.311 -1.244 20 0 BAADRO C[N@H+](C[C@@H]1CCC(=O)N1)[C@@H]1COC[C@H]1O ZINC000708596178 712214231 /nfs/dbraw/zinc/21/42/31/712214231.db2.gz WHXCJFDCDHELGH-DJLDLDEBSA-N 1 0 214.265 -1.044 20 0 BAADRO COCCOC[C@H](O)C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000708649797 712196120 /nfs/dbraw/zinc/19/61/20/712196120.db2.gz ALWHULVVDIITRN-GMTAPVOTSA-N 1 0 249.307 -1.298 20 0 BAADRO CNS(=O)(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000708735485 712198248 /nfs/dbraw/zinc/19/82/48/712198248.db2.gz MASRZHHGEMIEHO-RQJHMYQMSA-N 1 0 207.299 -1.104 20 0 BAADRO CCOC(=O)C[C@H](O)C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000708820721 712199863 /nfs/dbraw/zinc/19/98/63/712199863.db2.gz BTXOAOLMNBUHDD-IVZWLZJFSA-N 1 0 247.291 -1.008 20 0 BAADRO CCOC(=O)C[C@@H](O)C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000708820722 712200360 /nfs/dbraw/zinc/20/03/60/712200360.db2.gz BTXOAOLMNBUHDD-OPRDCNLKSA-N 1 0 247.291 -1.008 20 0 BAADRO CCN1CC[C@@H](NC(=O)[C@H](C[NH3+])OC)C1=O ZINC000709003711 712205310 /nfs/dbraw/zinc/20/53/10/712205310.db2.gz NCRVRTAONXEMHA-SFYZADRCSA-N 1 0 229.280 -1.303 20 0 BAADRO CCN1CC[C@H](NC(=O)[C@H](C[NH3+])OC)C1=O ZINC000709003712 712205301 /nfs/dbraw/zinc/20/53/01/712205301.db2.gz NCRVRTAONXEMHA-YUMQZZPRSA-N 1 0 229.280 -1.303 20 0 BAADRO CCN1CC[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)C1=O ZINC000709009576 712206199 /nfs/dbraw/zinc/20/61/99/712206199.db2.gz VEHBUJBHQROOGW-DTWKUNHWSA-N 1 0 242.323 -1.388 20 0 BAADRO CCN1CC[C@H](NC(=O)[C@@H](N)C[NH+](C)C)C1=O ZINC000709009579 712205745 /nfs/dbraw/zinc/20/57/45/712205745.db2.gz VEHBUJBHQROOGW-IUCAKERBSA-N 1 0 242.323 -1.388 20 0 BAADRO COCCOC[C@@H](O)C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000709497089 712223247 /nfs/dbraw/zinc/22/32/47/712223247.db2.gz ALWHULVVDIITRN-HBNTYKKESA-N 1 0 249.307 -1.298 20 0 BAADRO O=C1OCCN1CCC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000709776350 712225248 /nfs/dbraw/zinc/22/52/48/712225248.db2.gz SFHAZPFDRMRMSC-IUCAKERBSA-N 1 0 230.264 -1.134 20 0 BAADRO CNS(=O)(=O)N1CC2CC1(C[NH3+])C2 ZINC000710647437 712264849 /nfs/dbraw/zinc/26/48/49/712264849.db2.gz YZDUZBWVVYRUOH-UHFFFAOYSA-N 1 0 205.283 -1.126 20 0 BAADRO COC[C@@]1(C(=O)N2CCOCC2)C[NH2+]CCO1 ZINC000710687716 712254249 /nfs/dbraw/zinc/25/42/49/712254249.db2.gz HWASNHPAEWRXJK-LLVKDONJSA-N 1 0 244.291 -1.150 20 0 BAADRO COC[C@]1(C(=O)N2CCOCC2)C[NH2+]CCO1 ZINC000710687718 712254204 /nfs/dbraw/zinc/25/42/04/712254204.db2.gz HWASNHPAEWRXJK-NSHDSACASA-N 1 0 244.291 -1.150 20 0 BAADRO COC[C@]1(C(=O)NCC(=O)OC)C[NH2+]CCO1 ZINC000710693151 712254599 /nfs/dbraw/zinc/25/45/99/712254599.db2.gz ZJROOKZEBLVVNP-JTQLQIEISA-N 1 0 246.263 -1.719 20 0 BAADRO COC[C@@]1(C(=O)NCC(=O)OC)C[NH2+]CCO1 ZINC000710693168 712254826 /nfs/dbraw/zinc/25/48/26/712254826.db2.gz ZJROOKZEBLVVNP-SNVBAGLBSA-N 1 0 246.263 -1.719 20 0 BAADRO C[C@]1(C(=O)NC[C@H]2COCCO2)C[NH2+]CCO1 ZINC000710705220 712254677 /nfs/dbraw/zinc/25/46/77/712254677.db2.gz YZYJQAGWIRPTGP-GXSJLCMTSA-N 1 0 244.291 -1.104 20 0 BAADRO C[C@@]1(C(=O)NC[C@@H]2COCCO2)C[NH2+]CCO1 ZINC000710705222 712255078 /nfs/dbraw/zinc/25/50/78/712255078.db2.gz YZYJQAGWIRPTGP-KOLCDFICSA-N 1 0 244.291 -1.104 20 0 BAADRO C[C@]1(C(=O)NC[C@@H]2COCCO2)C[NH2+]CCO1 ZINC000710705224 712255045 /nfs/dbraw/zinc/25/50/45/712255045.db2.gz YZYJQAGWIRPTGP-MWLCHTKSSA-N 1 0 244.291 -1.104 20 0 BAADRO C[C@@]1(C(=O)NC[C@H]2COCCO2)C[NH2+]CCO1 ZINC000710705225 712254602 /nfs/dbraw/zinc/25/46/02/712254602.db2.gz YZYJQAGWIRPTGP-ONGXEEELSA-N 1 0 244.291 -1.104 20 0 BAADRO C[C@]1(C(=O)N2CCCNC(=O)C2)C[NH2+]CCO1 ZINC000710788509 712256065 /nfs/dbraw/zinc/25/60/65/712256065.db2.gz JOBCXJHEIRXEKM-LLVKDONJSA-N 1 0 241.291 -1.287 20 0 BAADRO C[C@@]1(C(=O)N2CCCNC(=O)C2)C[NH2+]CCO1 ZINC000710788517 712256484 /nfs/dbraw/zinc/25/64/84/712256484.db2.gz JOBCXJHEIRXEKM-NSHDSACASA-N 1 0 241.291 -1.287 20 0 BAADRO CCN(CC(=O)NC)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000710837512 712257997 /nfs/dbraw/zinc/25/79/97/712257997.db2.gz BSOFSPSWRLIPNJ-LLVKDONJSA-N 1 0 243.307 -1.041 20 0 BAADRO CCN(CC(=O)NC)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000710837513 712257976 /nfs/dbraw/zinc/25/79/76/712257976.db2.gz BSOFSPSWRLIPNJ-NSHDSACASA-N 1 0 243.307 -1.041 20 0 BAADRO C[C@@H]1COC[C@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC000710838170 712258015 /nfs/dbraw/zinc/25/80/15/712258015.db2.gz HQYZRYUTCQAVDF-HTRCEHHLSA-N 1 0 220.294 -1.088 20 0 BAADRO C[C@H]1COC[C@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC000710838205 712258031 /nfs/dbraw/zinc/25/80/31/712258031.db2.gz HQYZRYUTCQAVDF-POYBYMJQSA-N 1 0 220.294 -1.088 20 0 BAADRO C[C@@H]1COC[C@@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC000710838207 712257914 /nfs/dbraw/zinc/25/79/14/712257914.db2.gz HQYZRYUTCQAVDF-SVRRBLITSA-N 1 0 220.294 -1.088 20 0 BAADRO C[C@H]1COC[C@@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC000710838209 712258187 /nfs/dbraw/zinc/25/81/87/712258187.db2.gz HQYZRYUTCQAVDF-XPUUQOCRSA-N 1 0 220.294 -1.088 20 0 BAADRO COCCNC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000710838404 712258182 /nfs/dbraw/zinc/25/81/82/712258182.db2.gz JJYPYGLORGZTFH-JTQLQIEISA-N 1 0 232.280 -1.246 20 0 BAADRO COCCNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000710838705 712257897 /nfs/dbraw/zinc/25/78/97/712257897.db2.gz JJYPYGLORGZTFH-SNVBAGLBSA-N 1 0 232.280 -1.246 20 0 BAADRO COC[C@@]1(C(=O)N[C@H]2CCOC2)C[NH2+]CCO1 ZINC000710850052 712259286 /nfs/dbraw/zinc/25/92/86/712259286.db2.gz IBXGDOCGJJOEKP-GXSJLCMTSA-N 1 0 244.291 -1.104 20 0 BAADRO COC[C@]1(C(=O)N[C@@H]2CCOC2)C[NH2+]CCO1 ZINC000710850055 712259473 /nfs/dbraw/zinc/25/94/73/712259473.db2.gz IBXGDOCGJJOEKP-KOLCDFICSA-N 1 0 244.291 -1.104 20 0 BAADRO COC[C@@]1(C(=O)N[C@@H]2CCOC2)C[NH2+]CCO1 ZINC000710850057 712259403 /nfs/dbraw/zinc/25/94/03/712259403.db2.gz IBXGDOCGJJOEKP-MWLCHTKSSA-N 1 0 244.291 -1.104 20 0 BAADRO COC[C@]1(C(=O)N[C@H]2CCOC2)C[NH2+]CCO1 ZINC000710850058 712259427 /nfs/dbraw/zinc/25/94/27/712259427.db2.gz IBXGDOCGJJOEKP-ONGXEEELSA-N 1 0 244.291 -1.104 20 0 BAADRO C[C@H]1COC[C@@H]1NC(=O)C(=O)NCC[NH3+] ZINC000711010420 712274402 /nfs/dbraw/zinc/27/44/02/712274402.db2.gz ZTINLXQYQFHPAO-BQBZGAKWSA-N 1 0 215.253 -1.788 20 0 BAADRO C[C@H]1COC[C@H]1NC(=O)C(=O)NCC[NH3+] ZINC000711010422 712274214 /nfs/dbraw/zinc/27/42/14/712274214.db2.gz ZTINLXQYQFHPAO-NKWVEPMBSA-N 1 0 215.253 -1.788 20 0 BAADRO C[C@@H]1COC[C@H]1NC(=O)C(=O)NCC[NH3+] ZINC000711010424 712274581 /nfs/dbraw/zinc/27/45/81/712274581.db2.gz ZTINLXQYQFHPAO-RNFRBKRXSA-N 1 0 215.253 -1.788 20 0 BAADRO C[C@@H]1COC[C@@H]1NC(=O)C(=O)NCC[NH3+] ZINC000711010427 712274457 /nfs/dbraw/zinc/27/44/57/712274457.db2.gz ZTINLXQYQFHPAO-RQJHMYQMSA-N 1 0 215.253 -1.788 20 0 BAADRO CC1(C)C[NH2+]C[C@@H]1C(=O)NCCOCC(N)=O ZINC000711214476 712289033 /nfs/dbraw/zinc/28/90/33/712289033.db2.gz DEGRIARJCBEGSH-MRVPVSSYSA-N 1 0 243.307 -1.150 20 0 BAADRO CC1(C)C[NH2+]C[C@H]1C(=O)NCCOCC(N)=O ZINC000711214485 712288987 /nfs/dbraw/zinc/28/89/87/712288987.db2.gz DEGRIARJCBEGSH-QMMMGPOBSA-N 1 0 243.307 -1.150 20 0 BAADRO NS(=O)(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC000711267577 712291813 /nfs/dbraw/zinc/29/18/13/712291813.db2.gz GFGHQNQYQQSWOQ-BQBZGAKWSA-N 1 0 205.283 -1.078 20 0 BAADRO COC[C@@](C)(CO)[NH2+]CCn1cnnn1 ZINC000711893365 712338227 /nfs/dbraw/zinc/33/82/27/712338227.db2.gz OLQHVBJZVIUUNC-MRVPVSSYSA-N 1 0 215.257 -1.340 20 0 BAADRO COC[C@](C)(CO)[NH2+]CCn1cnnn1 ZINC000711893367 712338225 /nfs/dbraw/zinc/33/82/25/712338225.db2.gz OLQHVBJZVIUUNC-QMMMGPOBSA-N 1 0 215.257 -1.340 20 0 BAADRO O[C@@H]1C[C@H]2CN(CCn3cnnn3)CC[N@@H+]2C1 ZINC000712530398 712441779 /nfs/dbraw/zinc/44/17/79/712441779.db2.gz FRSGMANMHSBJJG-VHSXEESVSA-N 1 0 238.295 -1.576 20 0 BAADRO OCC[C@@H]1COCCN1CCn1cnnn1 ZINC000712531114 712441690 /nfs/dbraw/zinc/44/16/90/712441690.db2.gz IYABYPDIIAVKAD-SECBINFHSA-N 1 0 227.268 -1.244 20 0 BAADRO OCC[C@H]1COCCN1CCn1cnnn1 ZINC000712531122 712441756 /nfs/dbraw/zinc/44/17/56/712441756.db2.gz IYABYPDIIAVKAD-VIFPVBQESA-N 1 0 227.268 -1.244 20 0 BAADRO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1CCn1cnnn1 ZINC000712534267 712441983 /nfs/dbraw/zinc/44/19/83/712441983.db2.gz RZSYJHZWJJOUDH-BDAKNGLRSA-N 1 0 227.268 -1.509 20 0 BAADRO C[C@]1(CO)C[C@H](O)C[N@@H+]1CCn1cnnn1 ZINC000712534268 712441995 /nfs/dbraw/zinc/44/19/95/712441995.db2.gz RZSYJHZWJJOUDH-DTWKUNHWSA-N 1 0 227.268 -1.509 20 0 BAADRO C[C@@]1(CO)C[C@H](O)C[N@@H+]1CCn1cnnn1 ZINC000712534269 712442185 /nfs/dbraw/zinc/44/21/85/712442185.db2.gz RZSYJHZWJJOUDH-IUCAKERBSA-N 1 0 227.268 -1.509 20 0 BAADRO C[C@]1(CO)C[C@@H](O)C[N@@H+]1CCn1cnnn1 ZINC000712534270 711472646 /nfs/dbraw/zinc/47/26/46/711472646.db2.gz RZSYJHZWJJOUDH-RKDXNWHRSA-N 1 0 227.268 -1.509 20 0 BAADRO C[N@H+](CCn1cnnn1)CC(C)(CO)CO ZINC000712539163 712443435 /nfs/dbraw/zinc/44/34/35/712443435.db2.gz SHHJMACTMPNTBS-UHFFFAOYSA-N 1 0 229.284 -1.404 20 0 BAADRO c1nnnn1CCN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000712549754 712444515 /nfs/dbraw/zinc/44/45/15/712444515.db2.gz APSBSLYODMRRQP-BDAKNGLRSA-N 1 0 208.269 -1.033 20 0 BAADRO C[C@@H]([NH3+])[C@@H]1CN(CCn2cnnn2)CCO1 ZINC000712550991 712444119 /nfs/dbraw/zinc/44/41/19/712444119.db2.gz HYUYREXUOKWHMW-BDAKNGLRSA-N 1 0 226.284 -1.279 20 0 BAADRO C[C@H]([NH3+])[C@H]1CN(CCn2cnnn2)CCO1 ZINC000712550992 712444461 /nfs/dbraw/zinc/44/44/61/712444461.db2.gz HYUYREXUOKWHMW-DTWKUNHWSA-N 1 0 226.284 -1.279 20 0 BAADRO C[C@H]([NH3+])[C@@H]1CN(CCn2cnnn2)CCO1 ZINC000712550994 712444300 /nfs/dbraw/zinc/44/43/00/712444300.db2.gz HYUYREXUOKWHMW-IUCAKERBSA-N 1 0 226.284 -1.279 20 0 BAADRO C[C@@H]([NH3+])[C@H]1CN(CCn2cnnn2)CCO1 ZINC000712550995 712444513 /nfs/dbraw/zinc/44/45/13/712444513.db2.gz HYUYREXUOKWHMW-RKDXNWHRSA-N 1 0 226.284 -1.279 20 0 BAADRO OCC[NH2+][C@H]1CCCN(CCn2cnnn2)C1 ZINC000712551995 712445055 /nfs/dbraw/zinc/44/50/55/712445055.db2.gz LPQIUOICPDJGHE-JTQLQIEISA-N 1 0 240.311 -1.281 20 0 BAADRO OCC[NH2+][C@@H]1CCCN(CCn2cnnn2)C1 ZINC000712551997 712445441 /nfs/dbraw/zinc/44/54/41/712445441.db2.gz LPQIUOICPDJGHE-SNVBAGLBSA-N 1 0 240.311 -1.281 20 0 BAADRO [NH3+]C[C@@H]1CN(CCn2cnnn2)CCO1 ZINC000712553299 712444939 /nfs/dbraw/zinc/44/49/39/712444939.db2.gz WGMALHJLZFOSPI-MRVPVSSYSA-N 1 0 212.257 -1.667 20 0 BAADRO [NH3+]C[C@H]1CN(CCn2cnnn2)CCO1 ZINC000712553300 712444703 /nfs/dbraw/zinc/44/47/03/712444703.db2.gz WGMALHJLZFOSPI-QMMMGPOBSA-N 1 0 212.257 -1.667 20 0 BAADRO CC(C)(CC(N)=O)[NH2+]CCn1cnnn1 ZINC000712568136 712447022 /nfs/dbraw/zinc/44/70/22/712447022.db2.gz BREVIRVHPZKRQA-UHFFFAOYSA-N 1 0 212.257 -1.083 20 0 BAADRO c1nnnn1CCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000712574257 712448245 /nfs/dbraw/zinc/44/82/45/712448245.db2.gz AGYNDAGPTXPBNB-DTORHVGOSA-N 1 0 208.269 -1.176 20 0 BAADRO c1nnnn1CCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000712574260 712448368 /nfs/dbraw/zinc/44/83/68/712448368.db2.gz AGYNDAGPTXPBNB-IUCAKERBSA-N 1 0 208.269 -1.176 20 0 BAADRO c1nnnn1CCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000712574264 712448271 /nfs/dbraw/zinc/44/82/71/712448271.db2.gz AGYNDAGPTXPBNB-RKDXNWHRSA-N 1 0 208.269 -1.176 20 0 BAADRO CCO[C@@H]1CN(CCn2cnnn2)C[C@H]1C[NH3+] ZINC000712575365 712448167 /nfs/dbraw/zinc/44/81/67/712448167.db2.gz IYCWRSBQENBSLJ-NXEZZACHSA-N 1 0 240.311 -1.031 20 0 BAADRO [NH3+]C[C@@H]1CN(CCn2cnnn2)CCCO1 ZINC000712578200 712432571 /nfs/dbraw/zinc/43/25/71/712432571.db2.gz ZMMQYLPHMBRYSZ-SECBINFHSA-N 1 0 226.284 -1.277 20 0 BAADRO [NH3+]C[C@H]1CN(CCn2cnnn2)CCCO1 ZINC000712578202 712432789 /nfs/dbraw/zinc/43/27/89/712432789.db2.gz ZMMQYLPHMBRYSZ-VIFPVBQESA-N 1 0 226.284 -1.277 20 0 BAADRO OCC[NH+](CCO)CCn1cnnn1 ZINC000712583140 712434134 /nfs/dbraw/zinc/43/41/34/712434134.db2.gz UOEYJXZUUKNUIF-UHFFFAOYSA-N 1 0 201.230 -2.040 20 0 BAADRO C[N@H+](CCOCCO)CCn1cnnn1 ZINC000712584271 712434319 /nfs/dbraw/zinc/43/43/19/712434319.db2.gz AFPZUADVENSQHW-UHFFFAOYSA-N 1 0 215.257 -1.386 20 0 BAADRO C[C@@H](O)C[N@H+](CCO)CCn1cnnn1 ZINC000712586360 712434513 /nfs/dbraw/zinc/43/45/13/712434513.db2.gz LNRNTAGKWPYKBK-MRVPVSSYSA-N 1 0 215.257 -1.652 20 0 BAADRO C[C@H](O)C[N@H+](CCO)CCn1cnnn1 ZINC000712586361 712434666 /nfs/dbraw/zinc/43/46/66/712434666.db2.gz LNRNTAGKWPYKBK-QMMMGPOBSA-N 1 0 215.257 -1.652 20 0 BAADRO OC[C@@H]1COCCN1CCn1cnnn1 ZINC000712587451 712434919 /nfs/dbraw/zinc/43/49/19/712434919.db2.gz SRVOORBVEDARAS-MRVPVSSYSA-N 1 0 213.241 -1.634 20 0 BAADRO OCCC[N@H+](CCO)CCn1cnnn1 ZINC000712606605 712437692 /nfs/dbraw/zinc/43/76/92/712437692.db2.gz JSEVOMUDZDLENT-UHFFFAOYSA-N 1 0 215.257 -1.650 20 0 BAADRO CO[C@@H]1C[N@H+](CCn2cnnn2)C[C@H]1O ZINC000712611881 712437472 /nfs/dbraw/zinc/43/74/72/712437472.db2.gz ZWOOQTFQKZGWRA-HTQZYQBOSA-N 1 0 213.241 -1.635 20 0 BAADRO CC[N@H+](C)C[C@@H](O)CN1CC(O)(C(=O)OC)C1 ZINC000714463686 712490901 /nfs/dbraw/zinc/49/09/01/712490901.db2.gz IYQPUZUOLQLNLY-SECBINFHSA-N 1 0 246.307 -1.481 20 0 BAADRO CC[N@H+](C)C[C@H](O)CN1CC(O)(C(=O)OC)C1 ZINC000714463689 712490779 /nfs/dbraw/zinc/49/07/79/712490779.db2.gz IYQPUZUOLQLNLY-VIFPVBQESA-N 1 0 246.307 -1.481 20 0 BAADRO COC(=O)C1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000714491680 712492421 /nfs/dbraw/zinc/49/24/21/712492421.db2.gz VQJHMYZHMCNVMA-MRVPVSSYSA-N 1 0 242.275 -1.316 20 0 BAADRO COC(=O)C1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000714491686 712492452 /nfs/dbraw/zinc/49/24/52/712492452.db2.gz VQJHMYZHMCNVMA-QMMMGPOBSA-N 1 0 242.275 -1.316 20 0 BAADRO COC(=O)C1(O)CN(C(=O)C[NH+](C)C)C1 ZINC000714515002 712493795 /nfs/dbraw/zinc/49/37/95/712493795.db2.gz SRIJMBYCZPODCD-UHFFFAOYSA-N 1 0 216.237 -1.706 20 0 BAADRO [NH3+]C[C@@H]1[C@H](C(=O)N2CCNC(=O)C2)C1(F)F ZINC000715149617 712512577 /nfs/dbraw/zinc/51/25/77/712512577.db2.gz RHRZKSBJJCDLMS-IYSWYEEDSA-N 1 0 233.218 -1.215 20 0 BAADRO [NH3+]C[C@@H]1[C@H](C(=O)NCCn2ncnn2)C1(F)F ZINC000715165509 712513568 /nfs/dbraw/zinc/51/35/68/712513568.db2.gz JLJMWUOLNWJXSZ-PHDIDXHHSA-N 1 0 246.221 -1.371 20 0 BAADRO [NH3+]C[C@@H]1C[C@@H]1C(=O)NCC(=O)NC1CC1 ZINC000715188767 712513416 /nfs/dbraw/zinc/51/34/16/712513416.db2.gz IGGQPJNEHORPJD-XPUUQOCRSA-N 1 0 211.265 -1.024 20 0 BAADRO C[C@@](O)(CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC000715807036 712533468 /nfs/dbraw/zinc/53/34/68/712533468.db2.gz AXDKKDLLWMICHD-JTQLQIEISA-N 1 0 228.292 -1.058 20 0 BAADRO C[C@](O)(CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC000715807038 712533564 /nfs/dbraw/zinc/53/35/64/712533564.db2.gz AXDKKDLLWMICHD-SNVBAGLBSA-N 1 0 228.292 -1.058 20 0 BAADRO CC(CO)(CO)NC(=O)C12CC[NH+](CC1)C2 ZINC000715808737 712533760 /nfs/dbraw/zinc/53/37/60/712533760.db2.gz JPJUPAJQLKSEJA-UHFFFAOYSA-N 1 0 228.292 -1.058 20 0 BAADRO O=C(N[C@H]1COC[C@H]1O)C12CC[NH+](CC1)C2 ZINC000715841622 712533110 /nfs/dbraw/zinc/53/31/10/712533110.db2.gz DWJYQALKYQKHSA-DTWKUNHWSA-N 1 0 226.276 -1.042 20 0 BAADRO O=C(N[C@@H]1COC[C@H]1O)C12CC[NH+](CC1)C2 ZINC000715841632 712532945 /nfs/dbraw/zinc/53/29/45/712532945.db2.gz DWJYQALKYQKHSA-RKDXNWHRSA-N 1 0 226.276 -1.042 20 0 BAADRO C[C@@H](O)[C@@H](CO)NC(=O)C12CC[NH+](CC1)C2 ZINC000715854705 712536274 /nfs/dbraw/zinc/53/62/74/712536274.db2.gz KHMKYIQUWZJRAP-RKDXNWHRSA-N 1 0 228.292 -1.060 20 0 BAADRO CS(=O)(=O)C1CC([NH2+][C@@H]2COC[C@@H]2O)C1 ZINC000716115826 711567035 /nfs/dbraw/zinc/56/70/35/711567035.db2.gz VICYMULQAGTUIK-YNTFGVKOSA-N 1 0 235.305 -1.089 20 0 BAADRO Cn1cc(C(=O)N[C@@H](CO)C[NH+](C)C)[nH]c1=O ZINC000716669900 712568982 /nfs/dbraw/zinc/56/89/82/712568982.db2.gz GUKNZCAZMBNTMI-SSDOTTSWSA-N 1 0 242.279 -1.222 20 0 BAADRO Cn1cc(C(=O)N[C@H](CO)C[NH+](C)C)[nH]c1=O ZINC000716669903 712569030 /nfs/dbraw/zinc/56/90/30/712569030.db2.gz GUKNZCAZMBNTMI-ZETCQYMHSA-N 1 0 242.279 -1.222 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)C1=COCCO1 ZINC000716670963 712568906 /nfs/dbraw/zinc/56/89/06/712568906.db2.gz MNIJJDOSGGUBNX-MRVPVSSYSA-N 1 0 230.264 -1.087 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)C1=COCCO1 ZINC000716670967 712569203 /nfs/dbraw/zinc/56/92/03/712569203.db2.gz MNIJJDOSGGUBNX-QMMMGPOBSA-N 1 0 230.264 -1.087 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1CSC(=O)N1 ZINC000716680815 712569872 /nfs/dbraw/zinc/56/98/72/712569872.db2.gz YZBLFYDBBQHZOO-BQBZGAKWSA-N 1 0 247.320 -1.150 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1CSC(=O)N1 ZINC000716680817 712569750 /nfs/dbraw/zinc/56/97/50/712569750.db2.gz YZBLFYDBBQHZOO-NKWVEPMBSA-N 1 0 247.320 -1.150 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@H]1CSC(=O)N1 ZINC000716680821 712569930 /nfs/dbraw/zinc/56/99/30/712569930.db2.gz YZBLFYDBBQHZOO-RNFRBKRXSA-N 1 0 247.320 -1.150 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CSC(=O)N1 ZINC000716680823 712569799 /nfs/dbraw/zinc/56/97/99/712569799.db2.gz YZBLFYDBBQHZOO-RQJHMYQMSA-N 1 0 247.320 -1.150 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)c1nnc[nH]1 ZINC000716695535 712570394 /nfs/dbraw/zinc/57/03/94/712570394.db2.gz LATCRZSNRZCYPO-LURJTMIESA-N 1 0 213.241 -1.543 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)c1nnc[nH]1 ZINC000716695536 712570224 /nfs/dbraw/zinc/57/02/24/712570224.db2.gz LATCRZSNRZCYPO-ZCFIWIBFSA-N 1 0 213.241 -1.543 20 0 BAADRO CN(C)C[C@H](CO)[NH2+]CCS(C)(=O)=O ZINC000716776333 712573228 /nfs/dbraw/zinc/57/32/28/712573228.db2.gz DDDIFMUUPMNSFT-MRVPVSSYSA-N 1 0 224.326 -1.457 20 0 BAADRO CN(C)C[C@@H](CO)[NH2+]CCS(C)(=O)=O ZINC000716776334 712573252 /nfs/dbraw/zinc/57/32/52/712573252.db2.gz DDDIFMUUPMNSFT-QMMMGPOBSA-N 1 0 224.326 -1.457 20 0 BAADRO Cn1ncc(C(=O)N[C@@H](CO)C[NH+](C)C)n1 ZINC000716785162 712573568 /nfs/dbraw/zinc/57/35/68/712573568.db2.gz INBRLKCFXUARQY-SSDOTTSWSA-N 1 0 227.268 -1.533 20 0 BAADRO Cn1ncc(C(=O)N[C@H](CO)C[NH+](C)C)n1 ZINC000716785163 712573633 /nfs/dbraw/zinc/57/36/33/712573633.db2.gz INBRLKCFXUARQY-ZETCQYMHSA-N 1 0 227.268 -1.533 20 0 BAADRO COC(OC)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000716789269 712573587 /nfs/dbraw/zinc/57/35/87/712573587.db2.gz SJVIQJJZNDNFQQ-SSDOTTSWSA-N 1 0 220.269 -1.356 20 0 BAADRO COC(OC)C(=O)N[C@H](CO)C[NH+](C)C ZINC000716789271 712573593 /nfs/dbraw/zinc/57/35/93/712573593.db2.gz SJVIQJJZNDNFQQ-ZETCQYMHSA-N 1 0 220.269 -1.356 20 0 BAADRO CCS(=O)(=O)CC[NH2+][C@@H](CO)CN(C)C ZINC000716789844 711583488 /nfs/dbraw/zinc/58/34/88/711583488.db2.gz WKDCARPZTNBJPZ-SECBINFHSA-N 1 0 238.353 -1.067 20 0 BAADRO CCS(=O)(=O)CC[NH2+][C@H](CO)CN(C)C ZINC000716789845 712573609 /nfs/dbraw/zinc/57/36/09/712573609.db2.gz WKDCARPZTNBJPZ-VIFPVBQESA-N 1 0 238.353 -1.067 20 0 BAADRO NC(=O)COCCNC(=O)CC[NH2+]CC1CC1 ZINC000717243537 712641408 /nfs/dbraw/zinc/64/14/08/712641408.db2.gz QUPGYCYJTRWDTC-UHFFFAOYSA-N 1 0 243.307 -1.006 20 0 BAADRO CCOC[C@H](O)C[NH2+]C[C@@H](O)[C@H](C)O ZINC000717360653 712652034 /nfs/dbraw/zinc/65/20/34/712652034.db2.gz RIFROSGQZVIGOY-DJLDLDEBSA-N 1 0 207.270 -1.285 20 0 BAADRO CCOC[C@H](O)C[NH2+]C[C@H](O)[C@@H](C)O ZINC000717360654 712652038 /nfs/dbraw/zinc/65/20/38/712652038.db2.gz RIFROSGQZVIGOY-HLTSFMKQSA-N 1 0 207.270 -1.285 20 0 BAADRO CCOC[C@H](O)C[NH2+]C[C@@H](O)[C@@H](C)O ZINC000717360655 712652035 /nfs/dbraw/zinc/65/20/35/712652035.db2.gz RIFROSGQZVIGOY-IWSPIJDZSA-N 1 0 207.270 -1.285 20 0 BAADRO CCOC[C@H](O)C[NH2+]C[C@H](O)[C@H](C)O ZINC000717360656 712652036 /nfs/dbraw/zinc/65/20/36/712652036.db2.gz RIFROSGQZVIGOY-YIZRAAEISA-N 1 0 207.270 -1.285 20 0 BAADRO C[C@H](O)[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000717404005 712655827 /nfs/dbraw/zinc/65/58/27/712655827.db2.gz ZKNYQPYLMLUVPM-CIUDSAMLSA-N 1 0 216.281 -1.204 20 0 BAADRO C[C@H](O)[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000717404007 712655528 /nfs/dbraw/zinc/65/55/28/712655528.db2.gz ZKNYQPYLMLUVPM-DJLDLDEBSA-N 1 0 216.281 -1.204 20 0 BAADRO C[C@H](O)[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000717404009 712655719 /nfs/dbraw/zinc/65/57/19/712655719.db2.gz ZKNYQPYLMLUVPM-XHNCKOQMSA-N 1 0 216.281 -1.204 20 0 BAADRO C[C@H](O)[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000717404011 712655651 /nfs/dbraw/zinc/65/56/51/712655651.db2.gz ZKNYQPYLMLUVPM-YIZRAAEISA-N 1 0 216.281 -1.204 20 0 BAADRO C[C@@H](O)[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC000717414235 712656602 /nfs/dbraw/zinc/65/66/02/712656602.db2.gz USSHSYLFIWGEOY-BDAKNGLRSA-N 1 0 228.292 -1.060 20 0 BAADRO C[C@H](O)[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC000717414237 712656558 /nfs/dbraw/zinc/65/65/58/712656558.db2.gz USSHSYLFIWGEOY-DTWKUNHWSA-N 1 0 228.292 -1.060 20 0 BAADRO C[C@H](O)[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC000717414239 712656416 /nfs/dbraw/zinc/65/64/16/712656416.db2.gz USSHSYLFIWGEOY-IUCAKERBSA-N 1 0 228.292 -1.060 20 0 BAADRO C[C@@H](O)[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC000717414241 712656363 /nfs/dbraw/zinc/65/63/63/712656363.db2.gz USSHSYLFIWGEOY-RKDXNWHRSA-N 1 0 228.292 -1.060 20 0 BAADRO C[C@H](O)[C@@H](O)CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000717423696 712657853 /nfs/dbraw/zinc/65/78/53/712657853.db2.gz SWWYFWJCENPKKM-GDPRMGEGSA-N 1 0 232.324 -1.227 20 0 BAADRO C[C@H](O)[C@H](O)CNC[C@H](O)C[N@H+](C)C1CC1 ZINC000717423699 712657937 /nfs/dbraw/zinc/65/79/37/712657937.db2.gz SWWYFWJCENPKKM-INTQDDNPSA-N 1 0 232.324 -1.227 20 0 BAADRO C[C@H](O)[C@H](O)CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000717423701 712657656 /nfs/dbraw/zinc/65/76/56/712657656.db2.gz SWWYFWJCENPKKM-JMJZKYOTSA-N 1 0 232.324 -1.227 20 0 BAADRO C[C@H](O)[C@@H](O)CNC[C@H](O)C[N@H+](C)C1CC1 ZINC000717423704 712658008 /nfs/dbraw/zinc/65/80/08/712658008.db2.gz SWWYFWJCENPKKM-LSJOCFKGSA-N 1 0 232.324 -1.227 20 0 BAADRO C[C@H](O)[C@@H](O)CNC[C@@H](O)C[NH+]1CCCC1 ZINC000717423730 712657967 /nfs/dbraw/zinc/65/79/67/712657967.db2.gz TXQFYBYZDGVMPH-AXFHLTTASA-N 1 0 232.324 -1.226 20 0 BAADRO C[C@H](O)[C@@H](O)CNC[C@H](O)C[NH+]1CCCC1 ZINC000717423731 712657721 /nfs/dbraw/zinc/65/77/21/712657721.db2.gz TXQFYBYZDGVMPH-DCAQKATOSA-N 1 0 232.324 -1.226 20 0 BAADRO C[C@H](O)[C@H](O)CNC[C@H](O)C[NH+]1CCCC1 ZINC000717423734 712657750 /nfs/dbraw/zinc/65/77/50/712657750.db2.gz TXQFYBYZDGVMPH-GARJFASQSA-N 1 0 232.324 -1.226 20 0 BAADRO C[C@H](O)[C@H](O)CNC[C@@H](O)C[NH+]1CCCC1 ZINC000717423736 712658116 /nfs/dbraw/zinc/65/81/16/712658116.db2.gz TXQFYBYZDGVMPH-HBNTYKKESA-N 1 0 232.324 -1.226 20 0 BAADRO CC1(C)CO[C@@H](CNC(=O)CNC(=O)C[NH3+])C1 ZINC000717654040 712663117 /nfs/dbraw/zinc/66/31/17/712663117.db2.gz ZXCWOVSIKLFVTN-MRVPVSSYSA-N 1 0 243.307 -1.007 20 0 BAADRO CC1(C)CO[C@H](CNC(=O)CNC(=O)C[NH3+])C1 ZINC000717654041 712663257 /nfs/dbraw/zinc/66/32/57/712663257.db2.gz ZXCWOVSIKLFVTN-QMMMGPOBSA-N 1 0 243.307 -1.007 20 0 BAADRO O=S(=O)(N[C@]12C[C@H]1COC2)N1CC[NH2+]CC1 ZINC000718078393 712741575 /nfs/dbraw/zinc/74/15/75/712741575.db2.gz HRZPENFMBCSHSM-IUCAKERBSA-N 1 0 247.320 -1.485 20 0 BAADRO O=S(=O)(N[C@]12C[C@H]1COC2)C1C[NH2+]C1 ZINC000718105134 712743634 /nfs/dbraw/zinc/74/36/34/712743634.db2.gz RHACIDBKFDDOMM-XPUUQOCRSA-N 1 0 218.278 -1.334 20 0 BAADRO C[NH+](C)C[C@H](N)C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000718177114 712751917 /nfs/dbraw/zinc/75/19/17/712751917.db2.gz AUDXGBIFJZOMCT-AEJSXWLSSA-N 1 0 227.308 -1.020 20 0 BAADRO O=S(=O)(C1C[NH2+]C1)N1C[C@@H]2COC[C@@H]2C1 ZINC000718213829 712754412 /nfs/dbraw/zinc/75/44/12/712754412.db2.gz NAOGXVRENXVXOT-OCAPTIKFSA-N 1 0 232.305 -1.134 20 0 BAADRO CN(CCS(N)(=O)=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000719381766 712807165 /nfs/dbraw/zinc/80/71/65/712807165.db2.gz CRMWZISBXKRMED-MRVPVSSYSA-N 1 0 249.336 -1.315 20 0 BAADRO CN(CCS(N)(=O)=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000719381768 712806652 /nfs/dbraw/zinc/80/66/52/712806652.db2.gz CRMWZISBXKRMED-QMMMGPOBSA-N 1 0 249.336 -1.315 20 0 BAADRO CN(CCS(N)(=O)=O)C(=O)C[NH+](C)C ZINC000719438986 712808031 /nfs/dbraw/zinc/80/80/31/712808031.db2.gz KGPIDCLLTIPMCI-UHFFFAOYSA-N 1 0 223.298 -1.705 20 0 BAADRO O=C([C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CCNC(=O)C1 ZINC000720960140 712882838 /nfs/dbraw/zinc/88/28/38/712882838.db2.gz CHIXZZKHBVYYTJ-KHQFGBGNSA-N 1 0 223.276 -1.200 20 0 BAADRO O=C([C@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CCNC(=O)C1 ZINC000720960143 712882975 /nfs/dbraw/zinc/88/29/75/712882975.db2.gz CHIXZZKHBVYYTJ-WEDXCCLWSA-N 1 0 223.276 -1.200 20 0 BAADRO CC(C)C(=O)NCCNS(=O)(=O)C1C[NH2+]C1 ZINC000721702583 711705744 /nfs/dbraw/zinc/70/57/44/711705744.db2.gz QJOCIARHUSLSRD-UHFFFAOYSA-N 1 0 249.336 -1.350 20 0 BAADRO CCNC(=O)CN(CC)S(=O)(=O)C1C[NH2+]C1 ZINC000721714115 711707295 /nfs/dbraw/zinc/70/72/95/711707295.db2.gz DCZWXERPFLQAHG-UHFFFAOYSA-N 1 0 249.336 -1.254 20 0 BAADRO CN1C[C@@H](NS(=O)(=O)C2C[NH2+]C2)CC1=O ZINC000721720942 711827587 /nfs/dbraw/zinc/82/75/87/711827587.db2.gz ZRKHSFBJQLUQKT-LURJTMIESA-N 1 0 233.293 -1.892 20 0 BAADRO CN1C[C@H](NS(=O)(=O)C2C[NH2+]C2)CC1=O ZINC000721720946 711827543 /nfs/dbraw/zinc/82/75/43/711827543.db2.gz ZRKHSFBJQLUQKT-ZCFIWIBFSA-N 1 0 233.293 -1.892 20 0 BAADRO CN(C)C(=O)CNS(=O)(=O)C1C[NH2+]C1 ZINC000721722392 711827540 /nfs/dbraw/zinc/82/75/40/711827540.db2.gz AQPYQWDJNHTCSX-UHFFFAOYSA-N 1 0 221.282 -2.034 20 0 BAADRO CCN(CC)C(=O)CNS(=O)(=O)C1C[NH2+]C1 ZINC000721725125 711829874 /nfs/dbraw/zinc/82/98/74/711829874.db2.gz KAOIQDKLUVHIFN-UHFFFAOYSA-N 1 0 249.336 -1.254 20 0 BAADRO CCNC(=O)[C@H](C)NS(=O)(=O)C1C[NH2+]C1 ZINC000721738194 710683679 /nfs/dbraw/zinc/68/36/79/710683679.db2.gz FVKJAFUZRCHELO-LURJTMIESA-N 1 0 235.309 -1.598 20 0 BAADRO CCNC(=O)[C@@H](C)NS(=O)(=O)C1C[NH2+]C1 ZINC000721738195 710683553 /nfs/dbraw/zinc/68/35/53/710683553.db2.gz FVKJAFUZRCHELO-ZCFIWIBFSA-N 1 0 235.309 -1.598 20 0 BAADRO O=S(=O)(C1C[NH2+]C1)N1CCNCC1 ZINC000721741212 711763367 /nfs/dbraw/zinc/76/33/67/711763367.db2.gz FGRMNXJHYLSPEM-UHFFFAOYSA-N 1 0 205.283 -1.807 20 0 BAADRO CNC(=O)[C@H]1CCCN1S(=O)(=O)C1C[NH2+]C1 ZINC000721742079 711763353 /nfs/dbraw/zinc/76/33/53/711763353.db2.gz NZIMEVIGONJSSA-MRVPVSSYSA-N 1 0 247.320 -1.502 20 0 BAADRO CNC(=O)[C@@H]1CCCN1S(=O)(=O)C1C[NH2+]C1 ZINC000721742084 711763351 /nfs/dbraw/zinc/76/33/51/711763351.db2.gz NZIMEVIGONJSSA-QMMMGPOBSA-N 1 0 247.320 -1.502 20 0 BAADRO CCCCN(CC(N)=O)S(=O)(=O)C1C[NH2+]C1 ZINC000721744776 711763457 /nfs/dbraw/zinc/76/34/57/711763457.db2.gz OYJNELBBYNLWHS-UHFFFAOYSA-N 1 0 249.336 -1.125 20 0 BAADRO CC(C)CN(CC(N)=O)S(=O)(=O)C1C[NH2+]C1 ZINC000721749132 711763971 /nfs/dbraw/zinc/76/39/71/711763971.db2.gz KGIHTYLWNIMLHN-UHFFFAOYSA-N 1 0 249.336 -1.269 20 0 BAADRO CN1CCC[C@@H](NS(=O)(=O)C2C[NH2+]C2)C1=O ZINC000721752232 711764046 /nfs/dbraw/zinc/76/40/46/711764046.db2.gz UXEAENUFSNATFO-MRVPVSSYSA-N 1 0 247.320 -1.502 20 0 BAADRO CN1CCC[C@H](NS(=O)(=O)C2C[NH2+]C2)C1=O ZINC000721752236 711764049 /nfs/dbraw/zinc/76/40/49/711764049.db2.gz UXEAENUFSNATFO-QMMMGPOBSA-N 1 0 247.320 -1.502 20 0 BAADRO CN1C[C@H](NS(=O)(=O)C2C[NH2+]C2)CCC1=O ZINC000721770307 711692391 /nfs/dbraw/zinc/69/23/91/711692391.db2.gz PZKHZJURZNSGTQ-SSDOTTSWSA-N 1 0 247.320 -1.502 20 0 BAADRO CN1C[C@@H](NS(=O)(=O)C2C[NH2+]C2)CCC1=O ZINC000721770312 711768777 /nfs/dbraw/zinc/76/87/77/711768777.db2.gz PZKHZJURZNSGTQ-ZETCQYMHSA-N 1 0 247.320 -1.502 20 0 BAADRO CNC(=O)CCN(C)S(=O)(=O)C1C[NH2+]C1 ZINC000721771208 711768816 /nfs/dbraw/zinc/76/88/16/711768816.db2.gz SSYKCDXXGIWQDL-UHFFFAOYSA-N 1 0 235.309 -1.644 20 0 BAADRO CC(=O)NCCNS(=O)(=O)C1C[NH2+]C1 ZINC000721771764 711768827 /nfs/dbraw/zinc/76/88/27/711768827.db2.gz VHGCEJWKIPHHMH-UHFFFAOYSA-N 1 0 221.282 -1.986 20 0 BAADRO O=C1NCC[C@@H]1NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000721786304 711769509 /nfs/dbraw/zinc/76/95/09/711769509.db2.gz HGPCKVFUYCNNQH-SFYZADRCSA-N 1 0 247.320 -1.454 20 0 BAADRO O=C1NCC[C@@H]1NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000721786307 711769592 /nfs/dbraw/zinc/76/95/92/711769592.db2.gz HGPCKVFUYCNNQH-YUMQZZPRSA-N 1 0 247.320 -1.454 20 0 BAADRO CN(C)C(=O)CN(C)S(=O)(=O)C1C[NH2+]C1 ZINC000721817114 711777472 /nfs/dbraw/zinc/77/74/72/711777472.db2.gz YUGWKVZREOKMIJ-UHFFFAOYSA-N 1 0 235.309 -1.692 20 0 BAADRO CC(=O)N1CCN(S(=O)(=O)C2C[NH2+]C2)CC1 ZINC000721832140 711778248 /nfs/dbraw/zinc/77/82/48/711778248.db2.gz LGWFBKBKUZKVTA-UHFFFAOYSA-N 1 0 247.320 -1.548 20 0 BAADRO O=C(NCCNS(=O)(=O)C1C[NH2+]C1)C1CC1 ZINC000721839501 711780078 /nfs/dbraw/zinc/78/00/78/711780078.db2.gz ZNZVSXQEIXZWOF-UHFFFAOYSA-N 1 0 247.320 -1.596 20 0 BAADRO CCN(CC(=O)N(C)C)S(=O)(=O)C1C[NH2+]C1 ZINC000722099326 710700061 /nfs/dbraw/zinc/70/00/61/710700061.db2.gz GJRBSBTUZRLCHE-UHFFFAOYSA-N 1 0 249.336 -1.302 20 0 BAADRO CN(C)C(=O)CCCNS(=O)(=O)C1C[NH2+]C1 ZINC000722099889 712839210 /nfs/dbraw/zinc/83/92/10/712839210.db2.gz JTOQWBBXWMRZST-UHFFFAOYSA-N 1 0 249.336 -1.254 20 0 BAADRO CCN(CC(=O)NC)S(=O)(=O)C1C[NH2+]C1 ZINC000722100657 712839228 /nfs/dbraw/zinc/83/92/28/712839228.db2.gz TVRJOBIZUYIAFR-UHFFFAOYSA-N 1 0 235.309 -1.644 20 0 BAADRO CC(C)NC(=O)CNS(=O)(=O)C1C[NH2+]C1 ZINC000722104214 710699914 /nfs/dbraw/zinc/69/99/14/710699914.db2.gz OJCUFZQDGIMBFD-UHFFFAOYSA-N 1 0 235.309 -1.598 20 0 BAADRO CCNC(=O)CN(C)S(=O)(=O)C1C[NH2+]C1 ZINC000722104873 712843060 /nfs/dbraw/zinc/84/30/60/712843060.db2.gz QIUOBFORWUWURG-UHFFFAOYSA-N 1 0 235.309 -1.644 20 0 BAADRO C[C@@H](NS(=O)(=O)C1C[NH2+]C1)C(=O)N(C)C ZINC000722108598 710699698 /nfs/dbraw/zinc/69/96/98/710699698.db2.gz FAIIFBHYQWBQAP-ZCFIWIBFSA-N 1 0 235.309 -1.646 20 0 BAADRO CN([C@H]1C[C@@H](C(N)=O)C1)S(=O)(=O)C1C[NH2+]C1 ZINC000722110272 712843000 /nfs/dbraw/zinc/84/30/00/712843000.db2.gz BKBULJONOVKYSY-KNVOCYPGSA-N 1 0 247.320 -1.516 20 0 BAADRO CNC(=O)[C@@H](C)NS(=O)(=O)C1C[NH2+]C1 ZINC000722112374 712843012 /nfs/dbraw/zinc/84/30/12/712843012.db2.gz BVPGKYLTYLOOCL-RXMQYKEDSA-N 1 0 221.282 -1.988 20 0 BAADRO CNC(=O)[C@H](C)NS(=O)(=O)C1C[NH2+]C1 ZINC000722112375 712843057 /nfs/dbraw/zinc/84/30/57/712843057.db2.gz BVPGKYLTYLOOCL-YFKPBYRVSA-N 1 0 221.282 -1.988 20 0 BAADRO CNC(=O)CCNS(=O)(=O)C1C[NH2+]C1 ZINC000722113336 712843038 /nfs/dbraw/zinc/84/30/38/712843038.db2.gz IVMDTUXVYVAJCH-UHFFFAOYSA-N 1 0 221.282 -1.986 20 0 BAADRO CCCN(CC(=O)NC)S(=O)(=O)C1C[NH2+]C1 ZINC000722113916 710699383 /nfs/dbraw/zinc/69/93/83/710699383.db2.gz XZXDKRUSFFGZLN-UHFFFAOYSA-N 1 0 249.336 -1.254 20 0 BAADRO CNC(=O)C(C)(C)CNS(=O)(=O)C1C[NH2+]C1 ZINC000722117271 710699034 /nfs/dbraw/zinc/69/90/34/710699034.db2.gz BDCZGPQMOBRNGZ-UHFFFAOYSA-N 1 0 249.336 -1.350 20 0 BAADRO CC(=O)NCCN(C)S(=O)(=O)C1C[NH2+]C1 ZINC000722119214 712390905 /nfs/dbraw/zinc/39/09/05/712390905.db2.gz XDRVMWRLGSZKGO-UHFFFAOYSA-N 1 0 235.309 -1.644 20 0 BAADRO O=C(CNS(=O)(=O)C1C[NH2+]C1)NCC1CC1 ZINC000722121244 710701726 /nfs/dbraw/zinc/70/17/26/710701726.db2.gz CVQIQZOFKPACLN-UHFFFAOYSA-N 1 0 247.320 -1.596 20 0 BAADRO CNC(=O)[C@H](C)CN(C)S(=O)(=O)C1C[NH2+]C1 ZINC000722137451 712882898 /nfs/dbraw/zinc/88/28/98/712882898.db2.gz BBTBPCJHBSWOJM-SSDOTTSWSA-N 1 0 249.336 -1.398 20 0 BAADRO CNC(=O)[C@@H](C)CN(C)S(=O)(=O)C1C[NH2+]C1 ZINC000722137452 712882723 /nfs/dbraw/zinc/88/27/23/712882723.db2.gz BBTBPCJHBSWOJM-ZETCQYMHSA-N 1 0 249.336 -1.398 20 0 BAADRO CC(C)NC(=O)CN(C)S(=O)(=O)C1C[NH2+]C1 ZINC000722140435 712883294 /nfs/dbraw/zinc/88/32/94/712883294.db2.gz GXAMXPRLSZWMFW-UHFFFAOYSA-N 1 0 249.336 -1.256 20 0 BAADRO O=C1NCCCC[C@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC000722140560 712883254 /nfs/dbraw/zinc/88/32/54/712883254.db2.gz XSDTTXXYBGVJIG-MRVPVSSYSA-N 1 0 247.320 -1.454 20 0 BAADRO O=C1NCCCC[C@@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC000722140561 712883503 /nfs/dbraw/zinc/88/35/03/712883503.db2.gz XSDTTXXYBGVJIG-QMMMGPOBSA-N 1 0 247.320 -1.454 20 0 BAADRO CN(CC(=O)NC1CC1)S(=O)(=O)C1C[NH2+]C1 ZINC000722142842 712883665 /nfs/dbraw/zinc/88/36/65/712883665.db2.gz PQMQFSUXJALZES-UHFFFAOYSA-N 1 0 247.320 -1.502 20 0 BAADRO COC(=O)CCNS(=O)(=O)C1C[NH2+]C1 ZINC000722234821 711728683 /nfs/dbraw/zinc/72/86/83/711728683.db2.gz XOSJQRBSUGQRIR-UHFFFAOYSA-N 1 0 222.266 -1.559 20 0 BAADRO COC(=O)C(C)(C)NS(=O)(=O)C1C[NH2+]C1 ZINC000722245597 712390730 /nfs/dbraw/zinc/39/07/30/712390730.db2.gz ZBIOUNXDDMQVNM-UHFFFAOYSA-N 1 0 236.293 -1.171 20 0 BAADRO O=S(=O)(NCC1(CO)CC1)C1C[NH2+]C1 ZINC000722257217 711731451 /nfs/dbraw/zinc/73/14/51/711731451.db2.gz NMTQBSPPCJONBL-UHFFFAOYSA-N 1 0 220.294 -1.350 20 0 BAADRO CCOC(=O)CCNS(=O)(=O)C1C[NH2+]C1 ZINC000722263621 711731530 /nfs/dbraw/zinc/73/15/30/711731530.db2.gz XLMHJZIAFKWTIP-UHFFFAOYSA-N 1 0 236.293 -1.169 20 0 BAADRO CC(C)OC(=O)CNS(=O)(=O)C1C[NH2+]C1 ZINC000722290027 711733837 /nfs/dbraw/zinc/73/38/37/711733837.db2.gz RGKZQVDGICSUBK-UHFFFAOYSA-N 1 0 236.293 -1.171 20 0 BAADRO C[NH+](C)CC(=O)NCCN1CCNC1=O ZINC000722401825 711754162 /nfs/dbraw/zinc/75/41/62/711754162.db2.gz GRMQIODWBBIQFX-UHFFFAOYSA-N 1 0 214.269 -1.311 20 0 BAADRO OCC(CO)[NH2+]C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724659113 710745230 /nfs/dbraw/zinc/74/52/30/710745230.db2.gz JPBYTNWADBNOIQ-FKTZTGRPSA-N 1 0 217.265 -1.267 20 0 BAADRO OCC(CO)[NH2+]C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724659115 710745193 /nfs/dbraw/zinc/74/51/93/710745193.db2.gz JPBYTNWADBNOIQ-HGNGGELXSA-N 1 0 217.265 -1.267 20 0 BAADRO OCC(CO)[NH2+]C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724659116 710745284 /nfs/dbraw/zinc/74/52/84/710745284.db2.gz JPBYTNWADBNOIQ-UJNFCWOMSA-N 1 0 217.265 -1.267 20 0 BAADRO CO[C@@H]1CCOC[C@H]1[NH2+]C[C@H](O)CO ZINC000724889187 710747899 /nfs/dbraw/zinc/74/78/99/710747899.db2.gz GWNFELCYYYQHEM-DJLDLDEBSA-N 1 0 205.254 -1.267 20 0 BAADRO CO[C@@H]1CCOC[C@H]1[NH2+]C[C@@H](O)CO ZINC000724889189 710747888 /nfs/dbraw/zinc/74/78/88/710747888.db2.gz GWNFELCYYYQHEM-IWSPIJDZSA-N 1 0 205.254 -1.267 20 0 BAADRO OCC(CO)[NH2+]CCO[C@@H]1CCOC1 ZINC000724933987 710750713 /nfs/dbraw/zinc/75/07/13/710750713.db2.gz HFOFSRDUBSMLEP-SECBINFHSA-N 1 0 205.254 -1.265 20 0 BAADRO OCC(CO)[NH2+]CCO[C@H]1CCOC1 ZINC000724933990 710750026 /nfs/dbraw/zinc/75/00/26/710750026.db2.gz HFOFSRDUBSMLEP-VIFPVBQESA-N 1 0 205.254 -1.265 20 0 BAADRO O[C@@H]1C[N@@H+](CCO[C@@H]2CCOC2)C[C@@H]1O ZINC000724978547 710751986 /nfs/dbraw/zinc/75/19/86/710751986.db2.gz TVKXYKZUUZOFLS-BBBLOLIVSA-N 1 0 217.265 -1.171 20 0 BAADRO O[C@@H]1C[N@@H+](CCO[C@H]2CCOC2)C[C@@H]1O ZINC000724978552 710751215 /nfs/dbraw/zinc/75/12/15/710751215.db2.gz TVKXYKZUUZOFLS-LPEHRKFASA-N 1 0 217.265 -1.171 20 0 BAADRO CNS(=O)(=O)N1CC[NH2+]C[C@@H]1COC ZINC000725677101 711669483 /nfs/dbraw/zinc/66/94/83/711669483.db2.gz PIGDUOADTXCBDU-SSDOTTSWSA-N 1 0 223.298 -1.629 20 0 BAADRO NC(=O)NC(=O)CCC[N@@H+]1CCCNC(=O)C1 ZINC000726790219 583374281 /nfs/dbraw/zinc/37/42/81/583374281.db2.gz PXNHTEVAJTUNJL-UHFFFAOYSA-N 1 0 242.279 -1.217 20 0 BAADRO O=C1CCC(=O)N1CCN1CCCNC(=O)C1 ZINC000726792775 583375313 /nfs/dbraw/zinc/37/53/13/583375313.db2.gz UMOVUXMKNWUJEP-UHFFFAOYSA-N 1 0 239.275 -1.043 20 0 BAADRO CN1C(=O)C[C@@H](N2CCCNC(=O)C2)C1=O ZINC000726796299 583375920 /nfs/dbraw/zinc/37/59/20/583375920.db2.gz SLFQCWCZVOOTDD-SSDOTTSWSA-N 1 0 225.248 -1.434 20 0 BAADRO CN1C(=O)C[C@H](N2CCCNC(=O)C2)C1=O ZINC000726796300 583375422 /nfs/dbraw/zinc/37/54/22/583375422.db2.gz SLFQCWCZVOOTDD-ZETCQYMHSA-N 1 0 225.248 -1.434 20 0 BAADRO C[N@@H+]1CCCN(C(=S)NCC(N)=O)CC1 ZINC000727063719 583598955 /nfs/dbraw/zinc/59/89/55/583598955.db2.gz JFHDZSKGBIPKKR-UHFFFAOYSA-N 1 0 230.337 -1.016 20 0 BAADRO C[NH+](C)CCCNC(=S)NCC(N)=O ZINC000727064835 583599494 /nfs/dbraw/zinc/59/94/94/583599494.db2.gz CMCVIVAHNYYSLA-UHFFFAOYSA-N 1 0 218.326 -1.113 20 0 BAADRO C[C@@H](CNC(=S)NCC(N)=O)[NH+](C)C ZINC000727073459 583606843 /nfs/dbraw/zinc/60/68/43/583606843.db2.gz CZXVUQXMHAEMLT-LURJTMIESA-N 1 0 218.326 -1.114 20 0 BAADRO C[C@H](CNC(=S)NCC(N)=O)[NH+](C)C ZINC000727073463 583606812 /nfs/dbraw/zinc/60/68/12/583606812.db2.gz CZXVUQXMHAEMLT-ZCFIWIBFSA-N 1 0 218.326 -1.114 20 0 BAADRO C[N@@H+]1CC[C@H](NC(=S)NCC(N)=O)C1 ZINC000727080043 636115355 /nfs/dbraw/zinc/11/53/55/636115355.db2.gz BWWXLNBNVWYNEK-LURJTMIESA-N 1 0 216.310 -1.360 20 0 BAADRO C[N@@H+]1CC[C@@H](NC(=S)NCC(N)=O)C1 ZINC000727080044 636115428 /nfs/dbraw/zinc/11/54/28/636115428.db2.gz BWWXLNBNVWYNEK-ZCFIWIBFSA-N 1 0 216.310 -1.360 20 0 BAADRO COCC[N@H+](C)CCNC(=S)NCC(N)=O ZINC000727086468 583613955 /nfs/dbraw/zinc/61/39/55/583613955.db2.gz GVXCQEXULWTZOQ-UHFFFAOYSA-N 1 0 248.352 -1.486 20 0 BAADRO C[NH+](C)CC(=O)N1CCCN(CC(N)=O)CC1 ZINC000727483833 583659900 /nfs/dbraw/zinc/65/99/00/583659900.db2.gz PWLIORIHARVKCF-UHFFFAOYSA-N 1 0 242.323 -1.432 20 0 BAADRO CCC[N@H+](C)CC(=O)NN1CC(=O)NC1=O ZINC000730272158 584898036 /nfs/dbraw/zinc/89/80/36/584898036.db2.gz JPFIIMPWHSOKLR-UHFFFAOYSA-N 1 0 228.252 -1.089 20 0 BAADRO CCNS(=O)(=O)CCNC(=O)C[NH+](C)C ZINC000731835147 584929469 /nfs/dbraw/zinc/92/94/69/584929469.db2.gz QEKLOCMHFXCYQX-UHFFFAOYSA-N 1 0 237.325 -1.397 20 0 BAADRO CNC(=O)C1([NH2+]CC(=O)NC(N)=O)CCCC1 ZINC000733896275 584954648 /nfs/dbraw/zinc/95/46/48/584954648.db2.gz PPGPPMQTHSEANV-UHFFFAOYSA-N 1 0 242.279 -1.170 20 0 BAADRO CN1CCO[C@@H](C(=O)NCc2cn[nH]n2)C1 ZINC000734761526 584967300 /nfs/dbraw/zinc/96/73/00/584967300.db2.gz XEIKQWUSZMQULI-MRVPVSSYSA-N 1 0 225.252 -1.249 20 0 BAADRO CN1CCO[C@H](C(=O)NCc2cn[nH]n2)C1 ZINC000734761530 584967217 /nfs/dbraw/zinc/96/72/17/584967217.db2.gz XEIKQWUSZMQULI-QMMMGPOBSA-N 1 0 225.252 -1.249 20 0 BAADRO O=C(CN1CC[C@H](O)C1)NCc1cn[nH]n1 ZINC000735111026 643524868 /nfs/dbraw/zinc/52/48/68/643524868.db2.gz ANAFKOYUBNRGFH-QMMMGPOBSA-N 1 0 225.252 -1.513 20 0 BAADRO CCCCN(CCS(N)(=O)=O)CC(N)=O ZINC000735883597 584983341 /nfs/dbraw/zinc/98/33/41/584983341.db2.gz LGRFIRVRQLBGBD-UHFFFAOYSA-N 1 0 237.325 -1.138 20 0 BAADRO CC(C)CN(CCS(N)(=O)=O)CC(N)=O ZINC000735884218 584983592 /nfs/dbraw/zinc/98/35/92/584983592.db2.gz UVKQQYDAFVSOPX-UHFFFAOYSA-N 1 0 237.325 -1.282 20 0 BAADRO CCNC(=O)CN(CC)CCS(N)(=O)=O ZINC000735884221 584983579 /nfs/dbraw/zinc/98/35/79/584983579.db2.gz UYJMUYMTEXBSCZ-UHFFFAOYSA-N 1 0 237.325 -1.267 20 0 BAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCCNC(N)=O ZINC000736111291 584989787 /nfs/dbraw/zinc/98/97/87/584989787.db2.gz ZKIOXSHQNBCJOR-SSDOTTSWSA-N 1 0 214.269 -1.135 20 0 BAADRO C[N@@H+]1CCC[C@H]1C(=O)NCCNC(N)=O ZINC000736111295 584989712 /nfs/dbraw/zinc/98/97/12/584989712.db2.gz ZKIOXSHQNBCJOR-ZETCQYMHSA-N 1 0 214.269 -1.135 20 0 BAADRO O=C([O-])CNC(=O)CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000739805875 600292098 /nfs/dbraw/zinc/29/20/98/600292098.db2.gz KHYGVMOKVIUUSR-DTORHVGOSA-N 1 0 241.291 -1.272 20 0 BAADRO O=C([O-])CNC(=O)CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000739805877 600292001 /nfs/dbraw/zinc/29/20/01/600292001.db2.gz KHYGVMOKVIUUSR-IUCAKERBSA-N 1 0 241.291 -1.272 20 0 BAADRO O=C([O-])CNC(=O)CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000739805879 600292044 /nfs/dbraw/zinc/29/20/44/600292044.db2.gz KHYGVMOKVIUUSR-RKDXNWHRSA-N 1 0 241.291 -1.272 20 0 BAADRO COC(=O)[C@@H]1CC[N@H+](CCS(N)(=O)=O)C1 ZINC000740875132 644562618 /nfs/dbraw/zinc/56/26/18/644562618.db2.gz HAOYTASIVZNIRO-SSDOTTSWSA-N 1 0 236.293 -1.230 20 0 BAADRO COC(=O)[C@H]1CC[N@H+](CCS(N)(=O)=O)C1 ZINC000740875133 644560953 /nfs/dbraw/zinc/56/09/53/644560953.db2.gz HAOYTASIVZNIRO-ZETCQYMHSA-N 1 0 236.293 -1.230 20 0 BAADRO NS(=O)(=O)CC[N@H+](CCO)CC1CC1 ZINC000740877626 644561180 /nfs/dbraw/zinc/56/11/80/644561180.db2.gz UNCOYTKEOKXUJA-UHFFFAOYSA-N 1 0 222.310 -1.021 20 0 BAADRO CC(C)[N@H+](C)CC(=O)NN1CC(=O)NC1=O ZINC000742783076 585131305 /nfs/dbraw/zinc/13/13/05/585131305.db2.gz YGECHIUXBKOEPI-UHFFFAOYSA-N 1 0 228.252 -1.090 20 0 BAADRO C[NH+](C)C1(C(=O)NCC(=O)NCCO)CCC1 ZINC000746227309 585166063 /nfs/dbraw/zinc/16/60/63/585166063.db2.gz VZBFLFXZWVQQIZ-UHFFFAOYSA-N 1 0 243.307 -1.305 20 0 BAADRO CNC(=O)NC(=O)C[NH2+]C1(C(N)=O)CCCC1 ZINC000746475925 585168441 /nfs/dbraw/zinc/16/84/41/585168441.db2.gz WCLLXIALZLNSEA-UHFFFAOYSA-N 1 0 242.279 -1.170 20 0 BAADRO C[NH+](C)C[C@H](O)CNc1nccn2nnnc12 ZINC000749145416 585199958 /nfs/dbraw/zinc/19/99/58/585199958.db2.gz ZLCURCWYZUTLNK-SSDOTTSWSA-N 1 0 237.267 -1.146 20 0 BAADRO C[NH+](C)C[C@@H](O)CNc1nccn2nnnc12 ZINC000749145421 585199849 /nfs/dbraw/zinc/19/98/49/585199849.db2.gz ZLCURCWYZUTLNK-ZETCQYMHSA-N 1 0 237.267 -1.146 20 0 BAADRO C[C@@H](C(=O)NCCCS(N)(=O)=O)[NH+](C)C ZINC000750610377 585217857 /nfs/dbraw/zinc/21/78/57/585217857.db2.gz XIBRLZVQPOJENB-ZETCQYMHSA-N 1 0 237.325 -1.269 20 0 BAADRO C[NH+](C)CCNC(=S)N1C[C@H](O)C[C@H](O)C1 ZINC000751905633 585239036 /nfs/dbraw/zinc/23/90/36/585239036.db2.gz VESODPIBVMFQRO-DTORHVGOSA-N 1 0 247.364 -1.150 20 0 BAADRO O[C@@H](CN1C[C@H](O)C[C@H](O)C1)C[NH+]1CCCC1 ZINC000752096399 585242507 /nfs/dbraw/zinc/24/25/07/585242507.db2.gz YOTZHIZDLOHKAB-GRYCIOLGSA-N 1 0 244.335 -1.129 20 0 BAADRO O[C@H](CN1C[C@H](O)C[C@H](O)C1)C[NH+]1CCCC1 ZINC000752096404 585242493 /nfs/dbraw/zinc/24/24/93/585242493.db2.gz YOTZHIZDLOHKAB-TUAOUCFPSA-N 1 0 244.335 -1.129 20 0 BAADRO CC[NH2+]CC(=O)N(C)CC(=O)N1CCOCC1 ZINC000754273364 585281808 /nfs/dbraw/zinc/28/18/08/585281808.db2.gz QWFVHIYAOUAGQI-UHFFFAOYSA-N 1 0 243.307 -1.087 20 0 BAADRO CC[C@@H](C(=O)NN1CC(=O)NC1=O)[NH+](C)C ZINC000754446592 585284810 /nfs/dbraw/zinc/28/48/10/585284810.db2.gz XIDSVIDIKOXUTL-LURJTMIESA-N 1 0 228.252 -1.090 20 0 BAADRO CC[C@H](C(=O)NN1CC(=O)NC1=O)[NH+](C)C ZINC000754446596 585284764 /nfs/dbraw/zinc/28/47/64/585284764.db2.gz XIDSVIDIKOXUTL-ZCFIWIBFSA-N 1 0 228.252 -1.090 20 0 BAADRO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H](O)C[C@H](O)C2)C1 ZINC000755440296 585299590 /nfs/dbraw/zinc/29/95/90/585299590.db2.gz FUVUHJORVZWOOW-BBBLOLIVSA-N 1 0 228.292 -1.108 20 0 BAADRO C[N@@H+]1CC[C@H](C(=O)N2C[C@H](O)C[C@H](O)C2)C1 ZINC000755440299 585299447 /nfs/dbraw/zinc/29/94/47/585299447.db2.gz FUVUHJORVZWOOW-LPEHRKFASA-N 1 0 228.292 -1.108 20 0 BAADRO Cn1nnnc1N1CCCN(CC(N)=O)CC1 ZINC000757843435 585345933 /nfs/dbraw/zinc/34/59/33/585345933.db2.gz RMLZXDOAXROSBW-UHFFFAOYSA-N 1 0 239.283 -1.793 20 0 BAADRO CN(CCS(N)(=O)=O)CC(C)(CO)CO ZINC000759168862 585364743 /nfs/dbraw/zinc/36/47/43/585364743.db2.gz RRYCSGFNUOAQBL-UHFFFAOYSA-N 1 0 240.325 -1.802 20 0 BAADRO COC[C@@H](NC(=O)C[N@H+](C)C(C)C)C(N)=O ZINC000760081792 585385337 /nfs/dbraw/zinc/38/53/37/585385337.db2.gz ZGCHFZOMFZBVQQ-MRVPVSSYSA-N 1 0 231.296 -1.057 20 0 BAADRO COC[C@H](NC(=O)C[N@H+](C)C(C)C)C(N)=O ZINC000760081802 585385341 /nfs/dbraw/zinc/38/53/41/585385341.db2.gz ZGCHFZOMFZBVQQ-QMMMGPOBSA-N 1 0 231.296 -1.057 20 0 BAADRO CCC[N@H+](C)CC(=O)N[C@H](COC)C(N)=O ZINC000760086138 585385268 /nfs/dbraw/zinc/38/52/68/585385268.db2.gz ZJEIURKBBCXPGO-MRVPVSSYSA-N 1 0 231.296 -1.055 20 0 BAADRO CCC[N@H+](C)CC(=O)N[C@@H](COC)C(N)=O ZINC000760086156 585385285 /nfs/dbraw/zinc/38/52/85/585385285.db2.gz ZJEIURKBBCXPGO-QMMMGPOBSA-N 1 0 231.296 -1.055 20 0 BAADRO CC[C@@H]1C[N@H+](CCS(N)(=O)=O)C[C@H]1O ZINC000761126116 585410778 /nfs/dbraw/zinc/41/07/78/585410778.db2.gz QNXUWWVSTMXNAQ-HTQZYQBOSA-N 1 0 222.310 -1.022 20 0 BAADRO CC[C@H]1C[N@H+](CCS(N)(=O)=O)C[C@H]1O ZINC000761126118 585410859 /nfs/dbraw/zinc/41/08/59/585410859.db2.gz QNXUWWVSTMXNAQ-JGVFFNPUSA-N 1 0 222.310 -1.022 20 0 BAADRO CC[C@@H]1C[N@H+](CCS(N)(=O)=O)C[C@@H]1O ZINC000761126121 585410903 /nfs/dbraw/zinc/41/09/03/585410903.db2.gz QNXUWWVSTMXNAQ-SFYZADRCSA-N 1 0 222.310 -1.022 20 0 BAADRO CC[C@H]1C[N@H+](CCS(N)(=O)=O)C[C@@H]1O ZINC000761126124 585410813 /nfs/dbraw/zinc/41/08/13/585410813.db2.gz QNXUWWVSTMXNAQ-YUMQZZPRSA-N 1 0 222.310 -1.022 20 0 BAADRO O=C(C[NH2+][C@H](CO)C1CC1)N1CCNC(=O)C1 ZINC000763062127 644655395 /nfs/dbraw/zinc/65/53/95/644655395.db2.gz ALSQWEMTYMRDGE-SECBINFHSA-N 1 0 241.291 -1.695 20 0 BAADRO O=C(C[NH2+][C@@H](CO)C1CC1)N1CCNC(=O)C1 ZINC000763062133 644655617 /nfs/dbraw/zinc/65/56/17/644655617.db2.gz ALSQWEMTYMRDGE-VIFPVBQESA-N 1 0 241.291 -1.695 20 0 BAADRO CC[NH+](CC)CC(=O)NC[C@@H](O)C(=O)NC ZINC000763695875 585452601 /nfs/dbraw/zinc/45/26/01/585452601.db2.gz CZAZYXCYEHLZMW-MRVPVSSYSA-N 1 0 231.296 -1.449 20 0 BAADRO CC[NH+](CC)CC(=O)NC[C@H](O)C(=O)NC ZINC000763695879 585452789 /nfs/dbraw/zinc/45/27/89/585452789.db2.gz CZAZYXCYEHLZMW-QMMMGPOBSA-N 1 0 231.296 -1.449 20 0 BAADRO C[C@@H]1[C@H](C(=O)NOCC(N)=O)CC[N@@H+]1C ZINC000764646805 585469994 /nfs/dbraw/zinc/46/99/94/585469994.db2.gz FGCNXKHQWLBSOK-RNFRBKRXSA-N 1 0 215.253 -1.140 20 0 BAADRO O=C(CO)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000765480755 585487866 /nfs/dbraw/zinc/48/78/66/585487866.db2.gz WDIDLQPTRDTSEX-BDAKNGLRSA-N 1 0 214.265 -1.042 20 0 BAADRO O=C(CO)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000765480756 585487715 /nfs/dbraw/zinc/48/77/15/585487715.db2.gz WDIDLQPTRDTSEX-DTWKUNHWSA-N 1 0 214.265 -1.042 20 0 BAADRO O=C(CO)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000765480757 585487850 /nfs/dbraw/zinc/48/78/50/585487850.db2.gz WDIDLQPTRDTSEX-IUCAKERBSA-N 1 0 214.265 -1.042 20 0 BAADRO O=C(CO)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000765480758 585487655 /nfs/dbraw/zinc/48/76/55/585487655.db2.gz WDIDLQPTRDTSEX-RKDXNWHRSA-N 1 0 214.265 -1.042 20 0 BAADRO CN(C)C(=O)CN(C)[C@@H]1CCC(=O)NC1=O ZINC000765962253 585494504 /nfs/dbraw/zinc/49/45/04/585494504.db2.gz UDEGBABAVYUSHV-SSDOTTSWSA-N 1 0 227.264 -1.188 20 0 BAADRO CN(C)C(=O)CN(C)[C@H]1CCC(=O)NC1=O ZINC000765962259 585494655 /nfs/dbraw/zinc/49/46/55/585494655.db2.gz UDEGBABAVYUSHV-ZETCQYMHSA-N 1 0 227.264 -1.188 20 0 BAADRO C[N@H+](CC(C)(CO)CO)[C@@H]1CCC(=O)NC1=O ZINC000768519498 585539572 /nfs/dbraw/zinc/53/95/72/585539572.db2.gz VGGXTNCPOUEULH-MRVPVSSYSA-N 1 0 244.291 -1.286 20 0 BAADRO C[N@H+](CC(C)(CO)CO)[C@H]1CCC(=O)NC1=O ZINC000768519499 585539523 /nfs/dbraw/zinc/53/95/23/585539523.db2.gz VGGXTNCPOUEULH-QMMMGPOBSA-N 1 0 244.291 -1.286 20 0 BAADRO CC[N@H+](CCO)CCNC(=S)NCC(N)=O ZINC000768787456 585543488 /nfs/dbraw/zinc/54/34/88/585543488.db2.gz AXHCANMJNTYZHD-UHFFFAOYSA-N 1 0 248.352 -1.750 20 0 BAADRO CC(C)NC(=O)CN(C)C[C@H](O)CO ZINC000770264834 585572471 /nfs/dbraw/zinc/57/24/71/585572471.db2.gz KDXLVVDXXXQSGI-QMMMGPOBSA-N 1 0 204.270 -1.204 20 0 BAADRO CON(C)CCNC(=O)[C@H]1CN(C)CCO1 ZINC000773166150 585633111 /nfs/dbraw/zinc/63/31/11/585633111.db2.gz VGDWBAQIUWZVJM-SECBINFHSA-N 1 0 231.296 -1.074 20 0 BAADRO CON(C)CCNC(=O)[C@@H]1CN(C)CCO1 ZINC000773166169 585633041 /nfs/dbraw/zinc/63/30/41/585633041.db2.gz VGDWBAQIUWZVJM-VIFPVBQESA-N 1 0 231.296 -1.074 20 0 BAADRO CNS(=O)(=O)CC(=O)NC1CC([NH+](C)C)C1 ZINC000773486874 585638040 /nfs/dbraw/zinc/63/80/40/585638040.db2.gz KQNSLDBIKCUNSQ-UHFFFAOYSA-N 1 0 249.336 -1.256 20 0 BAADRO C[NH+](C)C1CC(NC(=O)Cn2cnnn2)C1 ZINC000773491937 585638105 /nfs/dbraw/zinc/63/81/05/585638105.db2.gz JZGYAHYHQCVBCL-UHFFFAOYSA-N 1 0 224.268 -1.118 20 0 BAADRO CN1C(=O)CN(CN2CCNC(=O)CC2)C1=O ZINC000776203332 585693066 /nfs/dbraw/zinc/69/30/66/585693066.db2.gz WSQPAUPAJJSRPT-UHFFFAOYSA-N 1 0 240.263 -1.340 20 0 BAADRO CN1C(=O)CN(NC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC000776241710 585693806 /nfs/dbraw/zinc/69/38/06/585693806.db2.gz LKCQTOSTBRPSMY-SSDOTTSWSA-N 1 0 240.263 -1.137 20 0 BAADRO CN1C(=O)CN(NC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC000776241711 585693704 /nfs/dbraw/zinc/69/37/04/585693704.db2.gz LKCQTOSTBRPSMY-ZETCQYMHSA-N 1 0 240.263 -1.137 20 0 BAADRO O[C@@H]1C[C@H](O)CN(CC2OCCO2)C1 ZINC000777594032 585716338 /nfs/dbraw/zinc/71/63/38/585716338.db2.gz DBLWFPJLVUKMAY-OCAPTIKFSA-N 1 0 203.238 -1.213 20 0 BAADRO C[N@H+]1C[C@H]2CN(C(=S)NCC(N)=O)C[C@H]2C1 ZINC000782400483 585817329 /nfs/dbraw/zinc/81/73/29/585817329.db2.gz HHQCZVMNQUJUQM-OCAPTIKFSA-N 1 0 242.348 -1.160 20 0 BAADRO Cn1nnc(CNC(=S)NCC[NH+](C)C)n1 ZINC000782447185 585818436 /nfs/dbraw/zinc/81/84/36/585818436.db2.gz MMSYVMHHTMLSLP-UHFFFAOYSA-N 1 0 243.340 -1.264 20 0 BAADRO COCCC[N@H+](CCO)CCS(N)(=O)=O ZINC000782580642 585820399 /nfs/dbraw/zinc/82/03/99/585820399.db2.gz ZKQSKPQXBFICDC-UHFFFAOYSA-N 1 0 240.325 -1.394 20 0 BAADRO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782609850 585821886 /nfs/dbraw/zinc/82/18/86/585821886.db2.gz RSWICEDMWQPFDW-MATHAZKKSA-N 1 0 227.264 -1.116 20 0 BAADRO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782609851 585821942 /nfs/dbraw/zinc/82/19/42/585821942.db2.gz RSWICEDMWQPFDW-XSSZXYGBSA-N 1 0 227.264 -1.116 20 0 BAADRO C[C@@H]1CC[N@H+](CCS(N)(=O)=O)[C@@H]1CO ZINC000785516940 585874755 /nfs/dbraw/zinc/87/47/55/585874755.db2.gz PJHWTIBBDUXYKA-HTQZYQBOSA-N 1 0 222.310 -1.022 20 0 BAADRO C[C@H]1CC[N@H+](CCS(N)(=O)=O)[C@@H]1CO ZINC000785516941 585874975 /nfs/dbraw/zinc/87/49/75/585874975.db2.gz PJHWTIBBDUXYKA-JGVFFNPUSA-N 1 0 222.310 -1.022 20 0 BAADRO C[C@@H]1CC[N@H+](CCS(N)(=O)=O)[C@H]1CO ZINC000785516942 585875074 /nfs/dbraw/zinc/87/50/74/585875074.db2.gz PJHWTIBBDUXYKA-SFYZADRCSA-N 1 0 222.310 -1.022 20 0 BAADRO C[C@H]1CC[N@H+](CCS(N)(=O)=O)[C@H]1CO ZINC000785516943 585874942 /nfs/dbraw/zinc/87/49/42/585874942.db2.gz PJHWTIBBDUXYKA-YUMQZZPRSA-N 1 0 222.310 -1.022 20 0 BAADRO COCCONC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000789355702 585941278 /nfs/dbraw/zinc/94/12/78/585941278.db2.gz ZVMCTCXSJORTDO-JTQLQIEISA-N 1 0 247.295 -1.070 20 0 BAADRO COCCONC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000789355703 585941258 /nfs/dbraw/zinc/94/12/58/585941258.db2.gz ZVMCTCXSJORTDO-SNVBAGLBSA-N 1 0 247.295 -1.070 20 0 BAADRO CCN(CC(N)=O)CC(=O)N(C)OC ZINC000789517546 585943544 /nfs/dbraw/zinc/94/35/44/585943544.db2.gz NQWWXTZPSASQSI-UHFFFAOYSA-N 1 0 203.242 -1.187 20 0 BAADRO CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000789705890 585948856 /nfs/dbraw/zinc/94/88/56/585948856.db2.gz IKRZHMUMFVUXEQ-BDAKNGLRSA-N 1 0 241.291 -1.288 20 0 BAADRO CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000789705900 585948917 /nfs/dbraw/zinc/94/89/17/585948917.db2.gz IKRZHMUMFVUXEQ-DTWKUNHWSA-N 1 0 241.291 -1.288 20 0 BAADRO CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000789705901 585948999 /nfs/dbraw/zinc/94/89/99/585948999.db2.gz IKRZHMUMFVUXEQ-IUCAKERBSA-N 1 0 241.291 -1.288 20 0 BAADRO CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000789705902 585949015 /nfs/dbraw/zinc/94/90/15/585949015.db2.gz IKRZHMUMFVUXEQ-RKDXNWHRSA-N 1 0 241.291 -1.288 20 0 BAADRO CC1(C)C[N@H+](CCS(N)(=O)=O)C[C@H]1O ZINC000790451834 585964968 /nfs/dbraw/zinc/96/49/68/585964968.db2.gz PXXCMKZAZNOJMK-SSDOTTSWSA-N 1 0 222.310 -1.022 20 0 BAADRO CC1(C)C[N@H+](CCS(N)(=O)=O)C[C@@H]1O ZINC000790451835 585964779 /nfs/dbraw/zinc/96/47/79/585964779.db2.gz PXXCMKZAZNOJMK-ZETCQYMHSA-N 1 0 222.310 -1.022 20 0 BAADRO C[N@@H+]1CC[C@@](O)(CNC(=O)CC2OCCO2)C1 ZINC000793821155 586027267 /nfs/dbraw/zinc/02/72/67/586027267.db2.gz ZXPNBZNORNXTOM-LLVKDONJSA-N 1 0 244.291 -1.068 20 0 BAADRO C[N@@H+]1CC[C@](O)(CNC(=O)CC2OCCO2)C1 ZINC000793821218 586027507 /nfs/dbraw/zinc/02/75/07/586027507.db2.gz ZXPNBZNORNXTOM-NSHDSACASA-N 1 0 244.291 -1.068 20 0 BAADRO C[C@@H](C(=O)NC[C@@H]1CC(C(N)=O)=NO1)[NH+](C)C ZINC000793904026 586028645 /nfs/dbraw/zinc/02/86/45/586028645.db2.gz SFYWVDBFYAXWFS-BQBZGAKWSA-N 1 0 242.279 -1.317 20 0 BAADRO C[C@@H](C(=O)NC[C@H]1CC(C(N)=O)=NO1)[NH+](C)C ZINC000793904038 586028772 /nfs/dbraw/zinc/02/87/72/586028772.db2.gz SFYWVDBFYAXWFS-NKWVEPMBSA-N 1 0 242.279 -1.317 20 0 BAADRO CON(C)C(=O)CC[N@H+](C)CC(N)=O ZINC000799112222 586156906 /nfs/dbraw/zinc/15/69/06/586156906.db2.gz QHDUTEQVBYGGIU-UHFFFAOYSA-N 1 0 203.242 -1.187 20 0 BAADRO O=C1CC[C@@H](N2CCCNC(=O)C2)C(=O)N1 ZINC000799120287 586159352 /nfs/dbraw/zinc/15/93/52/586159352.db2.gz KHXMWBKTHVFGSK-SSDOTTSWSA-N 1 0 225.248 -1.387 20 0 BAADRO CON(C)C(=O)CC[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000799125152 586159505 /nfs/dbraw/zinc/15/95/05/586159505.db2.gz HGZSOLGTZPKLDZ-OCAPTIKFSA-N 1 0 218.253 -1.566 20 0 BAADRO CON(C)C(=O)CC[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000799125832 586161220 /nfs/dbraw/zinc/16/12/20/586161220.db2.gz UDNQVFDNNXIFQM-DTORHVGOSA-N 1 0 232.280 -1.176 20 0 BAADRO CON(C)C(=O)CC[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000799163927 586163178 /nfs/dbraw/zinc/16/31/78/586163178.db2.gz CARRZDCZDXAESZ-DTWKUNHWSA-N 1 0 232.280 -1.176 20 0 BAADRO CON(C)C(=O)CC[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000799163929 586162942 /nfs/dbraw/zinc/16/29/42/586162942.db2.gz CARRZDCZDXAESZ-IUCAKERBSA-N 1 0 232.280 -1.176 20 0 BAADRO C[C@]1(C(N)=O)CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000799169457 586164913 /nfs/dbraw/zinc/16/49/13/586164913.db2.gz KFDPAIRPXDHLCH-CPCISQLKSA-N 1 0 239.275 -1.011 20 0 BAADRO C[C@]1(C(N)=O)CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000799169458 586164881 /nfs/dbraw/zinc/16/48/81/586164881.db2.gz KFDPAIRPXDHLCH-HQJQHLMTSA-N 1 0 239.275 -1.011 20 0 BAADRO C[C@@]1(C(N)=O)CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000799169459 586164934 /nfs/dbraw/zinc/16/49/34/586164934.db2.gz KFDPAIRPXDHLCH-RDDDGLTNSA-N 1 0 239.275 -1.011 20 0 BAADRO C[C@@]1(C(N)=O)CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000799169460 586164931 /nfs/dbraw/zinc/16/49/31/586164931.db2.gz KFDPAIRPXDHLCH-WRWORJQWSA-N 1 0 239.275 -1.011 20 0 BAADRO C[N@H+](CCOCCO)[C@@H]1CCC(=O)NC1=O ZINC000800508807 586223653 /nfs/dbraw/zinc/22/36/53/586223653.db2.gz FPTIFIMMPFLMSX-MRVPVSSYSA-N 1 0 230.264 -1.268 20 0 BAADRO C[N@H+](CCOCCO)[C@H]1CCC(=O)NC1=O ZINC000800508808 586223468 /nfs/dbraw/zinc/22/34/68/586223468.db2.gz FPTIFIMMPFLMSX-QMMMGPOBSA-N 1 0 230.264 -1.268 20 0 BAADRO Cn1ncc(CNC(=O)[C@H]2CN(C)CCO2)n1 ZINC000805211283 585398266 /nfs/dbraw/zinc/39/82/66/585398266.db2.gz IEXQSQQWXSIQFX-SECBINFHSA-N 1 0 239.279 -1.238 20 0 BAADRO Cn1ncc(CNC(=O)[C@@H]2CN(C)CCO2)n1 ZINC000805211284 585398309 /nfs/dbraw/zinc/39/83/09/585398309.db2.gz IEXQSQQWXSIQFX-VIFPVBQESA-N 1 0 239.279 -1.238 20 0 BAADRO C[C@@H](C[NH+](C)C)NC(=S)NCC(N)=O ZINC000806590465 586415285 /nfs/dbraw/zinc/41/52/85/586415285.db2.gz DYNQRAALPLHBRZ-LURJTMIESA-N 1 0 218.326 -1.114 20 0 BAADRO CN1CCO[C@@H](C(=O)NCCn2cnnn2)C1 ZINC000807919754 586451641 /nfs/dbraw/zinc/45/16/41/586451641.db2.gz HAYMSINLUIHJAK-MRVPVSSYSA-N 1 0 240.267 -1.880 20 0 BAADRO CNC(=O)[C@H](O)CNc1cc[nH+]cc1C(N)=O ZINC000808048021 586460459 /nfs/dbraw/zinc/46/04/59/586460459.db2.gz FSVQEUIPSMMMSG-MRVPVSSYSA-N 1 0 238.247 -1.879 20 0 BAADRO CNC(=O)[C@@H](O)CNc1cc[nH+]cc1C(N)=O ZINC000808048022 586460331 /nfs/dbraw/zinc/46/03/31/586460331.db2.gz FSVQEUIPSMMMSG-QMMMGPOBSA-N 1 0 238.247 -1.879 20 0 BAADRO COC(=O)N(C)CC(=O)N[C@@H](CO)C[NH+](C)C ZINC000808172243 586466287 /nfs/dbraw/zinc/46/62/87/586466287.db2.gz RTNPLZDXUGLREQ-MRVPVSSYSA-N 1 0 247.295 -1.277 20 0 BAADRO COC(=O)N(C)CC(=O)N[C@H](CO)C[NH+](C)C ZINC000808172244 586466292 /nfs/dbraw/zinc/46/62/92/586466292.db2.gz RTNPLZDXUGLREQ-QMMMGPOBSA-N 1 0 247.295 -1.277 20 0 BAADRO CON(C)C(=O)CC[NH+](CCO)CCO ZINC000808717086 586483640 /nfs/dbraw/zinc/48/36/40/586483640.db2.gz FFHFDISRSYGCTF-UHFFFAOYSA-N 1 0 220.269 -1.317 20 0 BAADRO COC(=O)NCCC(=O)N[C@@H](CO)C[NH+](C)C ZINC000816617747 586744763 /nfs/dbraw/zinc/74/47/63/586744763.db2.gz HRYSGEMRGSPMGN-MRVPVSSYSA-N 1 0 247.295 -1.229 20 0 BAADRO COC(=O)NCCC(=O)N[C@H](CO)C[NH+](C)C ZINC000816617748 586744842 /nfs/dbraw/zinc/74/48/42/586744842.db2.gz HRYSGEMRGSPMGN-QMMMGPOBSA-N 1 0 247.295 -1.229 20 0 BAADRO COC(=O)NCC(=O)N[C@@H](CO)C[NH+](C)C ZINC000816618110 586744486 /nfs/dbraw/zinc/74/44/86/586744486.db2.gz OYWARWNNPHAKLK-SSDOTTSWSA-N 1 0 233.268 -1.619 20 0 BAADRO COC(=O)NCC(=O)N[C@H](CO)C[NH+](C)C ZINC000816618111 586744882 /nfs/dbraw/zinc/74/48/82/586744882.db2.gz OYWARWNNPHAKLK-ZETCQYMHSA-N 1 0 233.268 -1.619 20 0 BAADRO CCOC(=O)NCC(=O)N[C@@H](CO)C[NH+](C)C ZINC000816619099 586745353 /nfs/dbraw/zinc/74/53/53/586745353.db2.gz SSYSQPSEAZJSQB-MRVPVSSYSA-N 1 0 247.295 -1.229 20 0 BAADRO CCOC(=O)NCC(=O)N[C@H](CO)C[NH+](C)C ZINC000816619100 586745153 /nfs/dbraw/zinc/74/51/53/586745153.db2.gz SSYSQPSEAZJSQB-QMMMGPOBSA-N 1 0 247.295 -1.229 20 0 BAADRO COC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000816619209 586745434 /nfs/dbraw/zinc/74/54/34/586745434.db2.gz XAEOSUWEHHMJKW-JGVFFNPUSA-N 1 0 247.295 -1.230 20 0 BAADRO COC(=O)N[C@@H](C)C(=O)N[C@H](CO)C[NH+](C)C ZINC000816619210 586745426 /nfs/dbraw/zinc/74/54/26/586745426.db2.gz XAEOSUWEHHMJKW-YUMQZZPRSA-N 1 0 247.295 -1.230 20 0 BAADRO COC[C@@H](C(N)=O)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000817930179 586842298 /nfs/dbraw/zinc/84/22/98/586842298.db2.gz CVKMNBUOCJJCGP-BDAKNGLRSA-N 1 0 243.307 -1.103 20 0 BAADRO COC[C@@H](C(N)=O)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000817930184 586842673 /nfs/dbraw/zinc/84/26/73/586842673.db2.gz CVKMNBUOCJJCGP-IUCAKERBSA-N 1 0 243.307 -1.103 20 0 BAADRO CN(CCS(C)(=O)=O)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000818069159 586868795 /nfs/dbraw/zinc/86/87/95/586868795.db2.gz OHRUYZXTFNUVLK-RQJHMYQMSA-N 1 0 220.294 -1.163 20 0 BAADRO CN(CCCNC(=O)[C@@H]1C[C@@H]1[NH3+])S(C)(=O)=O ZINC000818072321 586869161 /nfs/dbraw/zinc/86/91/61/586869161.db2.gz KYQATXHWIYWYGZ-SFYZADRCSA-N 1 0 249.336 -1.269 20 0 BAADRO CCS(=O)(=O)CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000818111101 586875437 /nfs/dbraw/zinc/87/54/37/586875437.db2.gz GREJXWCGHZCOTM-RQJHMYQMSA-N 1 0 220.294 -1.116 20 0 BAADRO CC(C)(CNC(=O)[C@@H]1C[C@@H]1[NH3+])NS(C)(=O)=O ZINC000818116568 586875391 /nfs/dbraw/zinc/87/53/91/586875391.db2.gz MBWXLURYHKMBNU-RQJHMYQMSA-N 1 0 249.336 -1.222 20 0 BAADRO CCNS(=O)(=O)CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000818117616 586875363 /nfs/dbraw/zinc/87/53/63/586875363.db2.gz FHZPSNXNFMKSKO-RQJHMYQMSA-N 1 0 235.309 -1.611 20 0 BAADRO Cn1cc([C@H](O)CNC(=O)[C@@H]2C[C@@H]2[NH3+])cn1 ZINC000818138825 586876719 /nfs/dbraw/zinc/87/67/19/586876719.db2.gz OAOCKERWTHPKGP-HRDYMLBCSA-N 1 0 224.264 -1.083 20 0 BAADRO Cn1cc([C@@H](O)CNC(=O)[C@@H]2C[C@@H]2[NH3+])cn1 ZINC000818138829 586876797 /nfs/dbraw/zinc/87/67/97/586876797.db2.gz OAOCKERWTHPKGP-VGMNWLOBSA-N 1 0 224.264 -1.083 20 0 BAADRO [NH3+][C@@H]1C[C@@H]1C(=O)NCc1nnnn1C1CC1 ZINC000818144670 586877332 /nfs/dbraw/zinc/87/73/32/586877332.db2.gz BJSJYOXIJMAAHW-NKWVEPMBSA-N 1 0 222.252 -1.029 20 0 BAADRO CO[C@H](C)CC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000818562181 586901521 /nfs/dbraw/zinc/90/15/21/586901521.db2.gz STDJTPTXVILFKD-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO CO[C@@H](C)CC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000818562182 586901435 /nfs/dbraw/zinc/90/14/35/586901435.db2.gz STDJTPTXVILFKD-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO CC[NH2+]CC(=O)N1CCN(CCOC)C(=O)C1 ZINC000818609519 712589953 /nfs/dbraw/zinc/58/99/53/712589953.db2.gz SWUOPIIAXRNBOA-UHFFFAOYSA-N 1 0 243.307 -1.087 20 0 BAADRO CS(=O)(=O)NCC[NH2+]C[C@@H](O)C1CC1 ZINC000818947036 586916653 /nfs/dbraw/zinc/91/66/53/586916653.db2.gz BAAGHNJBSCVXGT-MRVPVSSYSA-N 1 0 222.310 -1.104 20 0 BAADRO CS(=O)(=O)NCC[NH2+]C[C@H](O)C1CC1 ZINC000818947037 586916629 /nfs/dbraw/zinc/91/66/29/586916629.db2.gz BAAGHNJBSCVXGT-QMMMGPOBSA-N 1 0 222.310 -1.104 20 0 BAADRO CCNS(=O)(=O)CC[NH2+]C[C@@H](C)O ZINC000819043318 586927090 /nfs/dbraw/zinc/92/70/90/586927090.db2.gz RWKZXQUTVRALEL-SSDOTTSWSA-N 1 0 210.299 -1.104 20 0 BAADRO CCNS(=O)(=O)CC[NH2+]C[C@H](C)O ZINC000819043321 586927122 /nfs/dbraw/zinc/92/71/22/586927122.db2.gz RWKZXQUTVRALEL-ZETCQYMHSA-N 1 0 210.299 -1.104 20 0 BAADRO CCNS(=O)(=O)CC[NH2+]C[C@@H](O)COC ZINC000819043703 586926803 /nfs/dbraw/zinc/92/68/03/586926803.db2.gz ULROSEVVGIQKBB-MRVPVSSYSA-N 1 0 240.325 -1.477 20 0 BAADRO CCNS(=O)(=O)CC[NH2+]C[C@H](O)COC ZINC000819043704 586926921 /nfs/dbraw/zinc/92/69/21/586926921.db2.gz ULROSEVVGIQKBB-QMMMGPOBSA-N 1 0 240.325 -1.477 20 0 BAADRO CON(C)C(=O)CC[NH2+]CCc1nnnn1C ZINC000819205039 586938704 /nfs/dbraw/zinc/93/87/04/586938704.db2.gz DCYCJZIZWMYPOS-UHFFFAOYSA-N 1 0 242.283 -1.248 20 0 BAADRO O=C1CN(CC[NH2+]C[C@H](O)C2CC2)CCN1 ZINC000819219327 586939827 /nfs/dbraw/zinc/93/98/27/586939827.db2.gz PCCPDOBXSAXIGR-JTQLQIEISA-N 1 0 227.308 -1.221 20 0 BAADRO O=C1CN(CC[NH2+]C[C@@H](O)C2CC2)CCN1 ZINC000819219329 586939894 /nfs/dbraw/zinc/93/98/94/586939894.db2.gz PCCPDOBXSAXIGR-SNVBAGLBSA-N 1 0 227.308 -1.221 20 0 BAADRO CC[C@H](O)C[NH2+]C[C@@H]1CC(C(N)=O)=NO1 ZINC000819250496 645009617 /nfs/dbraw/zinc/00/96/17/645009617.db2.gz AHYPNUFWBZJAKO-BQBZGAKWSA-N 1 0 215.253 -1.023 20 0 BAADRO CC[C@H](O)C[NH2+]C[C@H]1CC(C(N)=O)=NO1 ZINC000819250499 586941835 /nfs/dbraw/zinc/94/18/35/586941835.db2.gz AHYPNUFWBZJAKO-NKWVEPMBSA-N 1 0 215.253 -1.023 20 0 BAADRO CC[C@@H](O)C[NH2+]C[C@H]1CC(C(N)=O)=NO1 ZINC000819250500 586941927 /nfs/dbraw/zinc/94/19/27/586941927.db2.gz AHYPNUFWBZJAKO-RNFRBKRXSA-N 1 0 215.253 -1.023 20 0 BAADRO CC[C@@H](O)C[NH2+]C[C@@H]1CC(C(N)=O)=NO1 ZINC000819250502 586942147 /nfs/dbraw/zinc/94/21/47/586942147.db2.gz AHYPNUFWBZJAKO-RQJHMYQMSA-N 1 0 215.253 -1.023 20 0 BAADRO CSC[C@@H](O)C[NH2+]C[C@@H]1CC(C(N)=O)=NO1 ZINC000819252482 586943774 /nfs/dbraw/zinc/94/37/74/586943774.db2.gz IEOKZZMMHWOYGE-BQBZGAKWSA-N 1 0 247.320 -1.070 20 0 BAADRO CSC[C@@H](O)C[NH2+]C[C@H]1CC(C(N)=O)=NO1 ZINC000819252484 586943780 /nfs/dbraw/zinc/94/37/80/586943780.db2.gz IEOKZZMMHWOYGE-NKWVEPMBSA-N 1 0 247.320 -1.070 20 0 BAADRO CSC[C@H](O)C[NH2+]C[C@H]1CC(C(N)=O)=NO1 ZINC000819252486 586944290 /nfs/dbraw/zinc/94/42/90/586944290.db2.gz IEOKZZMMHWOYGE-RNFRBKRXSA-N 1 0 247.320 -1.070 20 0 BAADRO CSC[C@H](O)C[NH2+]C[C@@H]1CC(C(N)=O)=NO1 ZINC000819252487 586944190 /nfs/dbraw/zinc/94/41/90/586944190.db2.gz IEOKZZMMHWOYGE-RQJHMYQMSA-N 1 0 247.320 -1.070 20 0 BAADRO NC(=O)C1=NO[C@@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC000819252779 586943720 /nfs/dbraw/zinc/94/37/20/586943720.db2.gz KQJAEEDVVPUANV-APPZFPTMSA-N 1 0 227.264 -1.023 20 0 BAADRO NC(=O)C1=NO[C@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC000819252780 586943726 /nfs/dbraw/zinc/94/37/26/586943726.db2.gz KQJAEEDVVPUANV-CBAPKCEASA-N 1 0 227.264 -1.023 20 0 BAADRO NC(=O)C1=NO[C@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC000819252781 586943973 /nfs/dbraw/zinc/94/39/73/586943973.db2.gz KQJAEEDVVPUANV-IONNQARKSA-N 1 0 227.264 -1.023 20 0 BAADRO NC(=O)C1=NO[C@@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC000819252782 586944118 /nfs/dbraw/zinc/94/41/18/586944118.db2.gz KQJAEEDVVPUANV-VXNVDRBHSA-N 1 0 227.264 -1.023 20 0 BAADRO CNS(=O)(=O)CC[NH2+]C[C@@H](O)C1CC1 ZINC000819254711 586944263 /nfs/dbraw/zinc/94/42/63/586944263.db2.gz SQZRKZBAGPFHJG-MRVPVSSYSA-N 1 0 222.310 -1.104 20 0 BAADRO CNS(=O)(=O)CC[NH2+]C[C@H](O)C1CC1 ZINC000819254713 586944154 /nfs/dbraw/zinc/94/41/54/586944154.db2.gz SQZRKZBAGPFHJG-QMMMGPOBSA-N 1 0 222.310 -1.104 20 0 BAADRO NC(=O)NCCNC(=O)C[NH+]1CCCC1 ZINC000820041448 587014704 /nfs/dbraw/zinc/01/47/04/587014704.db2.gz MBHBPONKHVGMNE-UHFFFAOYSA-N 1 0 214.269 -1.133 20 0 BAADRO O=C(C[NH+]1CCCC1)NCCn1ncnn1 ZINC000820885447 587079522 /nfs/dbraw/zinc/07/95/22/587079522.db2.gz HYKIKLNJQAJFRX-UHFFFAOYSA-N 1 0 224.268 -1.115 20 0 BAADRO O=C(C[NH+]1CCCC1)NCCn1cnnn1 ZINC000820885865 587079748 /nfs/dbraw/zinc/07/97/48/587079748.db2.gz LLUSACRPYVBVGN-UHFFFAOYSA-N 1 0 224.268 -1.115 20 0 BAADRO C[C@H](C(=O)NCCn1cnnn1)[NH+](C)C ZINC000820885895 587079671 /nfs/dbraw/zinc/07/96/71/587079671.db2.gz LSBIDXBIGPHFCZ-SSDOTTSWSA-N 1 0 212.257 -1.261 20 0 BAADRO NC(=O)COCCNC(=O)C[NH+]1CCCC1 ZINC000820891735 587080132 /nfs/dbraw/zinc/08/01/32/587080132.db2.gz VEJXQKYISPIMTH-UHFFFAOYSA-N 1 0 229.280 -1.300 20 0 BAADRO COC[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC000821371767 587113229 /nfs/dbraw/zinc/11/32/29/587113229.db2.gz NCYHDKWNIIYXOA-MRVPVSSYSA-N 1 0 243.307 -1.055 20 0 BAADRO COC[C@H](NC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC000821371768 587113275 /nfs/dbraw/zinc/11/32/75/587113275.db2.gz NCYHDKWNIIYXOA-QMMMGPOBSA-N 1 0 243.307 -1.055 20 0 BAADRO COC(=O)[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC000821405589 587117695 /nfs/dbraw/zinc/11/76/95/587117695.db2.gz GPZHIQBPFRICOB-QMMMGPOBSA-N 1 0 230.264 -1.268 20 0 BAADRO O=C(C[NH+]1CCCC1)NC(CO)CO ZINC000821460067 587121264 /nfs/dbraw/zinc/12/12/64/587121264.db2.gz VFTPGCHTCMVJPG-UHFFFAOYSA-N 1 0 202.254 -1.448 20 0 BAADRO CN(C[C@H](O)CO)C(=O)C[NH+]1CCCC1 ZINC000821486304 587121969 /nfs/dbraw/zinc/12/19/69/587121969.db2.gz CIDIDSRMLFLANG-VIFPVBQESA-N 1 0 216.281 -1.106 20 0 BAADRO C[N@@H+]1CC[C@H](CC(=O)NOCC(N)=O)C1 ZINC000821557518 587128412 /nfs/dbraw/zinc/12/84/12/587128412.db2.gz PYPNUHWZXBPDIG-SSDOTTSWSA-N 1 0 215.253 -1.139 20 0 BAADRO C[N@@H+]1CC[C@@H](CC(=O)NOCC(N)=O)C1 ZINC000821557519 587128203 /nfs/dbraw/zinc/12/82/03/587128203.db2.gz PYPNUHWZXBPDIG-ZETCQYMHSA-N 1 0 215.253 -1.139 20 0 BAADRO CC(CO)(CO)NC(=O)C[NH+]1CCCC1 ZINC000821817142 587139845 /nfs/dbraw/zinc/13/98/45/587139845.db2.gz YOXYHWJGLFBSHC-UHFFFAOYSA-N 1 0 216.281 -1.058 20 0 BAADRO Cn1nnnc1CNC(=O)C[NH+]1CCCC1 ZINC000822120388 587154259 /nfs/dbraw/zinc/15/42/59/587154259.db2.gz YIAKDZSBGKQGJP-UHFFFAOYSA-N 1 0 224.268 -1.078 20 0 BAADRO C[C@H](C(=O)NC[C@H]1CC(C(N)=O)=NO1)[NH+](C)C ZINC000822292134 645041139 /nfs/dbraw/zinc/04/11/39/645041139.db2.gz SFYWVDBFYAXWFS-RNFRBKRXSA-N 1 0 242.279 -1.317 20 0 BAADRO C[C@H](C(=O)NC[C@@H]1CC(C(N)=O)=NO1)[NH+](C)C ZINC000822292141 645042363 /nfs/dbraw/zinc/04/23/63/645042363.db2.gz SFYWVDBFYAXWFS-RQJHMYQMSA-N 1 0 242.279 -1.317 20 0 BAADRO NC(=O)[C@@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000822329835 587162698 /nfs/dbraw/zinc/16/26/98/587162698.db2.gz PKHXXPODXGTFBM-LLVKDONJSA-N 1 0 241.291 -1.469 20 0 BAADRO NC(=O)[C@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000822329836 587162542 /nfs/dbraw/zinc/16/25/42/587162542.db2.gz PKHXXPODXGTFBM-NSHDSACASA-N 1 0 241.291 -1.469 20 0 BAADRO C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000822526865 587173067 /nfs/dbraw/zinc/17/30/67/587173067.db2.gz KTDLVSCGPZRQIW-HLTSFMKQSA-N 1 0 216.281 -1.062 20 0 BAADRO C[C@@H](O)[C@@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000822526866 587173327 /nfs/dbraw/zinc/17/33/27/587173327.db2.gz KTDLVSCGPZRQIW-IWSPIJDZSA-N 1 0 216.281 -1.062 20 0 BAADRO C[C@@H](O)[C@@H](CO)NC(=O)C[NH+]1CCCC1 ZINC000822532411 587173731 /nfs/dbraw/zinc/17/37/31/587173731.db2.gz HJQGRSCGXVJRQZ-RKDXNWHRSA-N 1 0 216.281 -1.060 20 0 BAADRO C[C@@](O)(CO)CNC(=O)C[NH+]1CCCC1 ZINC000822607202 587177646 /nfs/dbraw/zinc/17/76/46/587177646.db2.gz ORHVGEIRKNNNDX-JTQLQIEISA-N 1 0 216.281 -1.058 20 0 BAADRO C[C@](O)(CO)CNC(=O)C[NH+]1CCCC1 ZINC000822607204 587177404 /nfs/dbraw/zinc/17/74/04/587177404.db2.gz ORHVGEIRKNNNDX-SNVBAGLBSA-N 1 0 216.281 -1.058 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)CN1CCOC1=O ZINC000822933649 587194699 /nfs/dbraw/zinc/19/46/99/587194699.db2.gz LPUKQYKXJNRDCS-MRVPVSSYSA-N 1 0 245.279 -1.523 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)CN1CCOC1=O ZINC000822933650 587194396 /nfs/dbraw/zinc/19/43/96/587194396.db2.gz LPUKQYKXJNRDCS-QMMMGPOBSA-N 1 0 245.279 -1.523 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@]1(C)CCC(=O)N1 ZINC000822940471 587195085 /nfs/dbraw/zinc/19/50/85/587195085.db2.gz ZOGOKRQSLFISBL-KCJUWKMLSA-N 1 0 243.307 -1.306 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@]1(C)CCC(=O)N1 ZINC000822940472 587194998 /nfs/dbraw/zinc/19/49/98/587194998.db2.gz ZOGOKRQSLFISBL-KWQFWETISA-N 1 0 243.307 -1.306 20 0 BAADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC000823028687 587197093 /nfs/dbraw/zinc/19/70/93/587197093.db2.gz KZAGVWBHLQVSBG-SFYZADRCSA-N 1 0 211.265 -1.118 20 0 BAADRO O=C(C[NH+]1CCCC1)N1CC(O)(CO)C1 ZINC000823213274 587208694 /nfs/dbraw/zinc/20/86/94/587208694.db2.gz DYTWONFTTLZZSI-UHFFFAOYSA-N 1 0 214.265 -1.352 20 0 BAADRO c1nnnn1Cc1nc(N2CC[NH2+]CC2)no1 ZINC000823304158 587215106 /nfs/dbraw/zinc/21/51/06/587215106.db2.gz KQPIRUUBHDLJTH-UHFFFAOYSA-N 1 0 236.239 -1.486 20 0 BAADRO O=C(C[NH+]1CCCC1)N[C@@H]1COC[C@H]1O ZINC000823395834 587219662 /nfs/dbraw/zinc/21/96/62/587219662.db2.gz JVCLYAUWBXCFHO-RKDXNWHRSA-N 1 0 214.265 -1.042 20 0 BAADRO O=C(C[NH+]1CCCC1)N1C[C@H](CO)[C@H](O)C1 ZINC000823519011 587228974 /nfs/dbraw/zinc/22/89/74/587228974.db2.gz KKXCOCPYCFZGAZ-NXEZZACHSA-N 1 0 228.292 -1.106 20 0 BAADRO O=C(C[NH+]1CCCC1)N1C[C@H](O)[C@H](CO)C1 ZINC000823519019 587228993 /nfs/dbraw/zinc/22/89/93/587228993.db2.gz KKXCOCPYCFZGAZ-UWVGGRQHSA-N 1 0 228.292 -1.106 20 0 BAADRO O=C(C[NH+]1CCCC1)N1C[C@@H](O)[C@H](CO)C1 ZINC000823519020 587229089 /nfs/dbraw/zinc/22/90/89/587229089.db2.gz KKXCOCPYCFZGAZ-VHSXEESVSA-N 1 0 228.292 -1.106 20 0 BAADRO O=C(C[NH+]1CCCC1)N1C[C@H](O)[C@@H](CO)C1 ZINC000823519021 587228924 /nfs/dbraw/zinc/22/89/24/587228924.db2.gz KKXCOCPYCFZGAZ-ZJUUUORDSA-N 1 0 228.292 -1.106 20 0 BAADRO OCC(CO)[NH2+]Cc1ccc(-c2nn[nH]n2)o1 ZINC000823705337 587237396 /nfs/dbraw/zinc/23/73/96/587237396.db2.gz GCWWSCZEZNCSQM-UHFFFAOYSA-N 1 0 239.235 -1.098 20 0 BAADRO O=C(C[NH+]1CCCC1)N[C@H]1COC[C@H]1O ZINC000825141546 587306958 /nfs/dbraw/zinc/30/69/58/587306958.db2.gz JVCLYAUWBXCFHO-DTWKUNHWSA-N 1 0 214.265 -1.042 20 0 BAADRO C[C@@H](O)[C@H](O)CNC(=O)[C@@H](C)[NH+](C)C ZINC000825349329 587316388 /nfs/dbraw/zinc/31/63/88/587316388.db2.gz CMHGDGZZYXNHPG-BWZBUEFSSA-N 1 0 204.270 -1.206 20 0 BAADRO C[C@H](C(=O)NC[C@H](O)[C@H](C)O)[NH+](C)C ZINC000825349341 587316280 /nfs/dbraw/zinc/31/62/80/587316280.db2.gz CMHGDGZZYXNHPG-CSMHCCOUSA-N 1 0 204.270 -1.206 20 0 BAADRO C[C@H](C(=O)NC[C@@H](O)[C@H](C)O)[NH+](C)C ZINC000825349342 587316449 /nfs/dbraw/zinc/31/64/49/587316449.db2.gz CMHGDGZZYXNHPG-GJMOJQLCSA-N 1 0 204.270 -1.206 20 0 BAADRO C[C@@H](O)[C@@H](O)CNC(=O)[C@@H](C)[NH+](C)C ZINC000825349343 587316440 /nfs/dbraw/zinc/31/64/40/587316440.db2.gz CMHGDGZZYXNHPG-PRJMDXOYSA-N 1 0 204.270 -1.206 20 0 BAADRO C[C@@H](O)[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC000825351312 587316396 /nfs/dbraw/zinc/31/63/96/587316396.db2.gz ZBNWQJOEUFQXCU-BDAKNGLRSA-N 1 0 216.281 -1.060 20 0 BAADRO C[C@H](O)[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC000825351318 587316744 /nfs/dbraw/zinc/31/67/44/587316744.db2.gz ZBNWQJOEUFQXCU-DTWKUNHWSA-N 1 0 216.281 -1.060 20 0 BAADRO C[C@H](O)[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC000825351319 587316404 /nfs/dbraw/zinc/31/64/04/587316404.db2.gz ZBNWQJOEUFQXCU-IUCAKERBSA-N 1 0 216.281 -1.060 20 0 BAADRO C[C@@H](O)[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC000825351321 587316270 /nfs/dbraw/zinc/31/62/70/587316270.db2.gz ZBNWQJOEUFQXCU-RKDXNWHRSA-N 1 0 216.281 -1.060 20 0 BAADRO CC(C)(C)[NH2+]CCC(=O)N1CC(O)(C(N)=O)C1 ZINC000827359467 587378329 /nfs/dbraw/zinc/37/83/29/587378329.db2.gz UDAIDHOLYOVLAW-UHFFFAOYSA-N 1 0 243.307 -1.177 20 0 BAADRO CCOC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000827544098 587387338 /nfs/dbraw/zinc/38/73/38/587387338.db2.gz VRVRQMLRRRKVOF-BQBZGAKWSA-N 1 0 246.263 -1.055 20 0 BAADRO CCOC(=O)[C@@H](C)NC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000827544103 587386957 /nfs/dbraw/zinc/38/69/57/587386957.db2.gz VRVRQMLRRRKVOF-RQJHMYQMSA-N 1 0 246.263 -1.055 20 0 BAADRO NC(=O)[C@H]1CN(C(=O)[C@@]2(F)CC[NH2+]C2)CCO1 ZINC000827980333 587414902 /nfs/dbraw/zinc/41/49/02/587414902.db2.gz MJPDNHQEZCHFAY-GMSGAONNSA-N 1 0 245.254 -1.599 20 0 BAADRO NC(=O)[C@@H]1CN(C(=O)[C@@]2(F)CC[NH2+]C2)CCO1 ZINC000827980334 587414876 /nfs/dbraw/zinc/41/48/76/587414876.db2.gz MJPDNHQEZCHFAY-OIBJUYFYSA-N 1 0 245.254 -1.599 20 0 BAADRO NC(=O)[C@H]1CN(C(=O)[C@]2(F)CC[NH2+]C2)CCO1 ZINC000827980335 587414906 /nfs/dbraw/zinc/41/49/06/587414906.db2.gz MJPDNHQEZCHFAY-XCBNKYQSSA-N 1 0 245.254 -1.599 20 0 BAADRO NC(=O)[C@@H]1CN(C(=O)[C@]2(F)CC[NH2+]C2)CCO1 ZINC000827980336 587415115 /nfs/dbraw/zinc/41/51/15/587415115.db2.gz MJPDNHQEZCHFAY-XVKPBYJWSA-N 1 0 245.254 -1.599 20 0 BAADRO COC(=O)C[C@H]([NH3+])C(=O)NCC(=O)OC(C)C ZINC000828715921 587458362 /nfs/dbraw/zinc/45/83/62/587458362.db2.gz POQABJGCIOMPTI-ZETCQYMHSA-N 1 0 246.263 -1.055 20 0 BAADRO CCCOC(=O)CCNC(=O)CNC(=O)C[NH3+] ZINC000828886659 587468512 /nfs/dbraw/zinc/46/85/12/587468512.db2.gz ACKCLMABJVEZIH-UHFFFAOYSA-N 1 0 245.279 -1.479 20 0 BAADRO CC1(C(N)=O)C[NH+](CCCC(=O)NC(N)=O)C1 ZINC000829051584 587480876 /nfs/dbraw/zinc/48/08/76/587480876.db2.gz LQDICYNNXJEBRP-UHFFFAOYSA-N 1 0 242.279 -1.231 20 0 BAADRO COC(=O)[C@@](C)(O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000829070814 587482067 /nfs/dbraw/zinc/48/20/67/587482067.db2.gz ZEOOYMOMOJTCGC-JTQLQIEISA-N 1 0 230.264 -1.282 20 0 BAADRO COC(=O)[C@](C)(O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000829070815 587481930 /nfs/dbraw/zinc/48/19/30/587481930.db2.gz ZEOOYMOMOJTCGC-SNVBAGLBSA-N 1 0 230.264 -1.282 20 0 BAADRO C[C@@H]1OCCO[C@@H]1C(=O)NCC[N@H+](C)CCO ZINC000829749001 587513815 /nfs/dbraw/zinc/51/38/15/587513815.db2.gz ANBPVNRLDQEILN-UWVGGRQHSA-N 1 0 246.307 -1.169 20 0 BAADRO CCn1cc(C(=O)NCC[N@H+](C)CCO)nn1 ZINC000829756465 587514264 /nfs/dbraw/zinc/51/42/64/587514264.db2.gz CHLGDBRTHLYANM-UHFFFAOYSA-N 1 0 241.295 -1.048 20 0 BAADRO NC1=CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)N1 ZINC000829841039 587522514 /nfs/dbraw/zinc/52/25/14/587522514.db2.gz SPMOVPHLLCPCDL-SECBINFHSA-N 1 0 237.307 -1.477 20 0 BAADRO NC1=CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)N1 ZINC000829841043 587522554 /nfs/dbraw/zinc/52/25/54/587522554.db2.gz SPMOVPHLLCPCDL-VIFPVBQESA-N 1 0 237.307 -1.477 20 0 BAADRO NC1=CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)N1 ZINC000829853479 587524603 /nfs/dbraw/zinc/52/46/03/587524603.db2.gz QNLCUJWIYXMWOD-SECBINFHSA-N 1 0 238.291 -1.146 20 0 BAADRO NC1=CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)N1 ZINC000829853480 587524768 /nfs/dbraw/zinc/52/47/68/587524768.db2.gz QNLCUJWIYXMWOD-VIFPVBQESA-N 1 0 238.291 -1.146 20 0 BAADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CC=C(N)N2)C1 ZINC000829857797 587525031 /nfs/dbraw/zinc/52/50/31/587525031.db2.gz GIDPFHVHGKDRLF-LLVKDONJSA-N 1 0 240.307 -1.020 20 0 BAADRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CC=C(N)N2)C1 ZINC000829857802 587524964 /nfs/dbraw/zinc/52/49/64/587524964.db2.gz GIDPFHVHGKDRLF-NSHDSACASA-N 1 0 240.307 -1.020 20 0 BAADRO CN1CC[N@H+](C)CC(C(=O)N2CC=C(N)N2)C1 ZINC000829858156 587525189 /nfs/dbraw/zinc/52/51/89/587525189.db2.gz LULQLEDONAYYNP-UHFFFAOYSA-N 1 0 239.323 -1.373 20 0 BAADRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC=C(N)N1 ZINC000829858199 584907961 /nfs/dbraw/zinc/90/79/61/584907961.db2.gz NHZLXWNVNPBDSU-GMSGAONNSA-N 1 0 226.280 -1.412 20 0 BAADRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC=C(N)N1 ZINC000829858200 584907958 /nfs/dbraw/zinc/90/79/58/584907958.db2.gz NHZLXWNVNPBDSU-OIBJUYFYSA-N 1 0 226.280 -1.412 20 0 BAADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC=C(N)N1 ZINC000829858201 584907923 /nfs/dbraw/zinc/90/79/23/584907923.db2.gz NHZLXWNVNPBDSU-XCBNKYQSSA-N 1 0 226.280 -1.412 20 0 BAADRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC=C(N)N1 ZINC000829858202 584908008 /nfs/dbraw/zinc/90/80/08/584908008.db2.gz NHZLXWNVNPBDSU-XVKPBYJWSA-N 1 0 226.280 -1.412 20 0 BAADRO COC(=O)C1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000829951240 587529904 /nfs/dbraw/zinc/52/99/04/587529904.db2.gz ZXRSAHURPSQDJD-MRVPVSSYSA-N 1 0 242.275 -1.173 20 0 BAADRO COC(=O)C1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000829951241 587529875 /nfs/dbraw/zinc/52/98/75/587529875.db2.gz ZXRSAHURPSQDJD-QMMMGPOBSA-N 1 0 242.275 -1.173 20 0 BAADRO COC(=O)C1(O)CN(C(=O)[C@H](C)[NH+](C)C)C1 ZINC000829955739 587529912 /nfs/dbraw/zinc/52/99/12/587529912.db2.gz AQZCHMUVBRXMHI-ZETCQYMHSA-N 1 0 230.264 -1.317 20 0 BAADRO COC(=O)C1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC000829961738 587529970 /nfs/dbraw/zinc/52/99/70/587529970.db2.gz ZJFNCAAEMNPCRM-UHFFFAOYSA-N 1 0 242.275 -1.172 20 0 BAADRO COC(=O)C1(O)CN(C(=O)C2([NH+](C)C)CC2)C1 ZINC000829978195 587531029 /nfs/dbraw/zinc/53/10/29/587531029.db2.gz RMDVZFLFGWEANE-UHFFFAOYSA-N 1 0 242.275 -1.173 20 0 BAADRO COC(=O)C1(O)CN(C(=O)[C@@H](C)[NH+](C)C)C1 ZINC000829988667 587531520 /nfs/dbraw/zinc/53/15/20/587531520.db2.gz AQZCHMUVBRXMHI-SSDOTTSWSA-N 1 0 230.264 -1.317 20 0 BAADRO CO[C@@H]1COC[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC000830102016 587535784 /nfs/dbraw/zinc/53/57/84/587535784.db2.gz CVSJJRHRUBJBNH-BWZBUEFSSA-N 1 0 228.248 -1.205 20 0 BAADRO CO[C@@H]1COC[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC000830102017 587535683 /nfs/dbraw/zinc/53/56/83/587535683.db2.gz CVSJJRHRUBJBNH-XLPZGREQSA-N 1 0 228.248 -1.205 20 0 BAADRO CC(=O)NCCN(C)[C@@H]1CCC(=O)NC1=O ZINC000830148128 587539178 /nfs/dbraw/zinc/53/91/78/587539178.db2.gz HTWOMLYDJOVXMK-MRVPVSSYSA-N 1 0 227.264 -1.141 20 0 BAADRO CC(=O)NCCN(C)[C@H]1CCC(=O)NC1=O ZINC000830148129 587539284 /nfs/dbraw/zinc/53/92/84/587539284.db2.gz HTWOMLYDJOVXMK-QMMMGPOBSA-N 1 0 227.264 -1.141 20 0 BAADRO C[NH+](C)C1(C(=O)NCCn2cnnn2)CC1 ZINC000830149595 587539127 /nfs/dbraw/zinc/53/91/27/587539127.db2.gz HJLHVKJQYJRLRS-UHFFFAOYSA-N 1 0 224.268 -1.117 20 0 BAADRO C[C@H]1C(=O)N(C)S(=O)(=O)N1CC1C[NH2+]C1 ZINC000830391229 587548703 /nfs/dbraw/zinc/54/87/03/587548703.db2.gz DEOLIGXWJMYABC-LURJTMIESA-N 1 0 233.293 -1.387 20 0 BAADRO C[C@@H]1C(=O)N(C)S(=O)(=O)N1CC1C[NH2+]C1 ZINC000830391237 587548586 /nfs/dbraw/zinc/54/85/86/587548586.db2.gz DEOLIGXWJMYABC-ZCFIWIBFSA-N 1 0 233.293 -1.387 20 0 BAADRO O=C(NCC[NH+]1CCC1)[C@@H]1CC(=O)NC(=O)N1 ZINC000830939253 587578590 /nfs/dbraw/zinc/57/85/90/587578590.db2.gz YZBPQOJGWBWYET-ZETCQYMHSA-N 1 0 240.263 -1.594 20 0 BAADRO [NH3+]CCN(CCO)C(=O)NCCOCCF ZINC000831131031 587587095 /nfs/dbraw/zinc/58/70/95/587587095.db2.gz DXULKTBHILAYDH-UHFFFAOYSA-N 1 0 237.275 -1.065 20 0 BAADRO NC(=O)NC(=O)CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000831132675 587586980 /nfs/dbraw/zinc/58/69/80/587586980.db2.gz GMGIXQXGRSZZEY-SECBINFHSA-N 1 0 246.242 -1.611 20 0 BAADRO NC(=O)NC(=O)CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000831132676 587587110 /nfs/dbraw/zinc/58/71/10/587587110.db2.gz GMGIXQXGRSZZEY-VIFPVBQESA-N 1 0 246.242 -1.611 20 0 BAADRO Cn1[nH]cnc1=NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000831351134 587600464 /nfs/dbraw/zinc/60/04/64/587600464.db2.gz DPYNCVITXRDRMW-MRVPVSSYSA-N 1 0 213.216 -1.123 20 0 BAADRO Cn1[nH]cnc1=NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000831351139 587600316 /nfs/dbraw/zinc/60/03/16/587600316.db2.gz DPYNCVITXRDRMW-QMMMGPOBSA-N 1 0 213.216 -1.123 20 0 BAADRO NC(=O)N[C@@H]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000831481776 587612786 /nfs/dbraw/zinc/61/27/86/587612786.db2.gz UUZUSVVEEMFTRL-GMSGAONNSA-N 1 0 244.270 -1.043 20 0 BAADRO NC(=O)N[C@H]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000831481780 587612878 /nfs/dbraw/zinc/61/28/78/587612878.db2.gz UUZUSVVEEMFTRL-OIBJUYFYSA-N 1 0 244.270 -1.043 20 0 BAADRO NC(=O)N[C@@H]1CCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000831481782 587612650 /nfs/dbraw/zinc/61/26/50/587612650.db2.gz UUZUSVVEEMFTRL-XCBNKYQSSA-N 1 0 244.270 -1.043 20 0 BAADRO NC(=O)N[C@H]1CCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000831481783 587612714 /nfs/dbraw/zinc/61/27/14/587612714.db2.gz UUZUSVVEEMFTRL-XVKPBYJWSA-N 1 0 244.270 -1.043 20 0 BAADRO COC[C@@H](NC(=O)[C@@]1(F)CC[NH2+]C1)C(=O)OC ZINC000831534639 587616920 /nfs/dbraw/zinc/61/69/20/587616920.db2.gz KDIHPNUCRFHWAM-GMSGAONNSA-N 1 0 248.254 -1.008 20 0 BAADRO COC[C@H](NC(=O)[C@@]1(F)CC[NH2+]C1)C(=O)OC ZINC000831534648 587617248 /nfs/dbraw/zinc/61/72/48/587617248.db2.gz KDIHPNUCRFHWAM-OIBJUYFYSA-N 1 0 248.254 -1.008 20 0 BAADRO COC[C@@H](NC(=O)[C@]1(F)CC[NH2+]C1)C(=O)OC ZINC000831534650 587616013 /nfs/dbraw/zinc/61/60/13/587616013.db2.gz KDIHPNUCRFHWAM-XCBNKYQSSA-N 1 0 248.254 -1.008 20 0 BAADRO COC[C@H](NC(=O)[C@]1(F)CC[NH2+]C1)C(=O)OC ZINC000831534654 587615718 /nfs/dbraw/zinc/61/57/18/587615718.db2.gz KDIHPNUCRFHWAM-XVKPBYJWSA-N 1 0 248.254 -1.008 20 0 BAADRO CCO[C@H](CNC(=O)[C@@H]1CC(=O)N1)C[NH+](C)C ZINC000831713004 587629091 /nfs/dbraw/zinc/62/90/91/587629091.db2.gz HIGIKJCUGZEMNO-BDAKNGLRSA-N 1 0 243.307 -1.042 20 0 BAADRO CCO[C@@H](CNC(=O)[C@H]1CC(=O)N1)C[NH+](C)C ZINC000831713006 587628870 /nfs/dbraw/zinc/62/88/70/587628870.db2.gz HIGIKJCUGZEMNO-DTWKUNHWSA-N 1 0 243.307 -1.042 20 0 BAADRO CCO[C@@H](CNC(=O)[C@@H]1CC(=O)N1)C[NH+](C)C ZINC000831713007 587628959 /nfs/dbraw/zinc/62/89/59/587628959.db2.gz HIGIKJCUGZEMNO-IUCAKERBSA-N 1 0 243.307 -1.042 20 0 BAADRO CCO[C@H](CNC(=O)[C@H]1CC(=O)N1)C[NH+](C)C ZINC000831713008 587628939 /nfs/dbraw/zinc/62/89/39/587628939.db2.gz HIGIKJCUGZEMNO-RKDXNWHRSA-N 1 0 243.307 -1.042 20 0 BAADRO CCO[C@H](CNC(=O)CC(N)=O)C[NH+](C)C ZINC000831743355 587629721 /nfs/dbraw/zinc/62/97/21/587629721.db2.gz HAOMWHPMPXIRCE-MRVPVSSYSA-N 1 0 231.296 -1.055 20 0 BAADRO CCO[C@@H](CNC(=O)CC(N)=O)C[NH+](C)C ZINC000831743356 587629485 /nfs/dbraw/zinc/62/94/85/587629485.db2.gz HAOMWHPMPXIRCE-QMMMGPOBSA-N 1 0 231.296 -1.055 20 0 BAADRO CC[C@H](C)[C@H]([NH3+])C(=O)NN1CC(=O)NC1=O ZINC000831839982 587633915 /nfs/dbraw/zinc/63/39/15/587633915.db2.gz JVNRZLWAFQAKSN-FSPLSTOPSA-N 1 0 228.252 -1.057 20 0 BAADRO CC(C)[NH2+]CCC(=O)NN1CC(=O)NC1=O ZINC000831840103 587633638 /nfs/dbraw/zinc/63/36/38/587633638.db2.gz KNQZZDDFZFILSI-UHFFFAOYSA-N 1 0 228.252 -1.043 20 0 BAADRO CCC[NH2+][C@@H](C)C(=O)NN1CC(=O)NC1=O ZINC000831840326 587633910 /nfs/dbraw/zinc/63/39/10/587633910.db2.gz LOHJHPLRYKDDJH-LURJTMIESA-N 1 0 228.252 -1.043 20 0 BAADRO CCC[NH2+][C@H](C)C(=O)NN1CC(=O)NC1=O ZINC000831840327 587633892 /nfs/dbraw/zinc/63/38/92/587633892.db2.gz LOHJHPLRYKDDJH-ZCFIWIBFSA-N 1 0 228.252 -1.043 20 0 BAADRO CC(C)C[C@H]([NH3+])C(=O)NN1CC(=O)NC1=O ZINC000831840362 587633801 /nfs/dbraw/zinc/63/38/01/587633801.db2.gz MPBUNIHJEMXBCF-LURJTMIESA-N 1 0 228.252 -1.057 20 0 BAADRO CC1(C)C[NH2+][C@H]1C(=O)NN1CC(=O)NC1=O ZINC000831840404 587633808 /nfs/dbraw/zinc/63/38/08/587633808.db2.gz NSJPQOZAAHJDBS-LURJTMIESA-N 1 0 226.236 -1.433 20 0 BAADRO CC1(C)C[NH2+][C@@H]1C(=O)NN1CC(=O)NC1=O ZINC000831840405 587633553 /nfs/dbraw/zinc/63/35/53/587633553.db2.gz NSJPQOZAAHJDBS-ZCFIWIBFSA-N 1 0 226.236 -1.433 20 0 BAADRO CC1(C(=O)NN2CC(=O)NC2=O)C[NH2+]C1 ZINC000831840685 587633843 /nfs/dbraw/zinc/63/38/43/587633843.db2.gz QKZBLJFRJVICHJ-UHFFFAOYSA-N 1 0 212.209 -1.821 20 0 BAADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NN1CC(=O)NC1=O ZINC000831840916 587633942 /nfs/dbraw/zinc/63/39/42/587633942.db2.gz WCNFPRYVIXNZAN-BQBZGAKWSA-N 1 0 240.263 -1.043 20 0 BAADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NN1CC(=O)NC1=O ZINC000831840917 587633658 /nfs/dbraw/zinc/63/36/58/587633658.db2.gz WCNFPRYVIXNZAN-NKWVEPMBSA-N 1 0 240.263 -1.043 20 0 BAADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NN1CC(=O)NC1=O ZINC000831840918 587633224 /nfs/dbraw/zinc/63/32/24/587633224.db2.gz WCNFPRYVIXNZAN-RNFRBKRXSA-N 1 0 240.263 -1.043 20 0 BAADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NN1CC(=O)NC1=O ZINC000831840919 587633216 /nfs/dbraw/zinc/63/32/16/587633216.db2.gz WCNFPRYVIXNZAN-RQJHMYQMSA-N 1 0 240.263 -1.043 20 0 BAADRO O=C(NCCn1ncnn1)[C@@]1(F)CC[NH2+]C1 ZINC000831960133 587639397 /nfs/dbraw/zinc/63/93/97/587639397.db2.gz HEZWMXHLYJZDHQ-MRVPVSSYSA-N 1 0 228.231 -1.509 20 0 BAADRO O=C(NCCn1ncnn1)[C@]1(F)CC[NH2+]C1 ZINC000831960134 587639510 /nfs/dbraw/zinc/63/95/10/587639510.db2.gz HEZWMXHLYJZDHQ-QMMMGPOBSA-N 1 0 228.231 -1.509 20 0 BAADRO Cn1nnnc1CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000832159233 587647023 /nfs/dbraw/zinc/64/70/23/587647023.db2.gz ZENTUWLNFPUUIW-MRVPVSSYSA-N 1 0 228.231 -1.472 20 0 BAADRO Cn1nnnc1CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000832159236 587647035 /nfs/dbraw/zinc/64/70/35/587647035.db2.gz ZENTUWLNFPUUIW-QMMMGPOBSA-N 1 0 228.231 -1.472 20 0 BAADRO C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](O)C2CC2)C1 ZINC000832206313 587650372 /nfs/dbraw/zinc/65/03/72/587650372.db2.gz CDOKXASMRNGUAM-GXSJLCMTSA-N 1 0 228.292 -1.060 20 0 BAADRO C[N@@H+]1CC[C@](O)(CNC(=O)[C@H](O)C2CC2)C1 ZINC000832206315 587650299 /nfs/dbraw/zinc/65/02/99/587650299.db2.gz CDOKXASMRNGUAM-KOLCDFICSA-N 1 0 228.292 -1.060 20 0 BAADRO C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](O)C2CC2)C1 ZINC000832206318 587650339 /nfs/dbraw/zinc/65/03/39/587650339.db2.gz CDOKXASMRNGUAM-MWLCHTKSSA-N 1 0 228.292 -1.060 20 0 BAADRO C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](O)C2CC2)C1 ZINC000832206319 587649993 /nfs/dbraw/zinc/64/99/93/587649993.db2.gz CDOKXASMRNGUAM-ONGXEEELSA-N 1 0 228.292 -1.060 20 0 BAADRO Cn1cc(C(=O)NCCC[NH3+])c(=O)n(C)c1=O ZINC000832231360 587651716 /nfs/dbraw/zinc/65/17/16/587651716.db2.gz DBMLDTQENBZGLV-UHFFFAOYSA-N 1 0 240.263 -1.837 20 0 BAADRO CC[N@H+](CCO)CCNC(=O)[C@@H]1CCNC1=O ZINC000832301156 587653550 /nfs/dbraw/zinc/65/35/50/587653550.db2.gz ARLJTHCNMVFEMY-SECBINFHSA-N 1 0 243.307 -1.447 20 0 BAADRO CC[N@H+](CCO)CCNC(=O)[C@H]1CCNC1=O ZINC000832301164 587653539 /nfs/dbraw/zinc/65/35/39/587653539.db2.gz ARLJTHCNMVFEMY-VIFPVBQESA-N 1 0 243.307 -1.447 20 0 BAADRO O=C(CNC(=O)c1ncccn1)N1CC[NH2+]CC1 ZINC000832410335 587658580 /nfs/dbraw/zinc/65/85/80/587658580.db2.gz VEGQHLLKAMMJOH-UHFFFAOYSA-N 1 0 249.274 -1.362 20 0 BAADRO C[NH2+]CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000832573195 587667831 /nfs/dbraw/zinc/66/78/31/587667831.db2.gz GKOGHAZZMZTRRP-UHFFFAOYSA-N 1 0 240.263 -1.967 20 0 BAADRO COC(=O)NCC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000834317242 587751250 /nfs/dbraw/zinc/75/12/50/587751250.db2.gz SDKRPOFYGVKLTJ-HTQZYQBOSA-N 1 0 245.279 -1.083 20 0 BAADRO COC(=O)NCC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000834317243 587751435 /nfs/dbraw/zinc/75/14/35/587751435.db2.gz SDKRPOFYGVKLTJ-JGVFFNPUSA-N 1 0 245.279 -1.083 20 0 BAADRO COC(=O)NCC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000834317244 587751317 /nfs/dbraw/zinc/75/13/17/587751317.db2.gz SDKRPOFYGVKLTJ-SFYZADRCSA-N 1 0 245.279 -1.083 20 0 BAADRO COC(=O)NCC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000834317245 587751408 /nfs/dbraw/zinc/75/14/08/587751408.db2.gz SDKRPOFYGVKLTJ-YUMQZZPRSA-N 1 0 245.279 -1.083 20 0 BAADRO C[C@H](C[NH3+])NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000834520958 587758493 /nfs/dbraw/zinc/75/84/93/587758493.db2.gz ACIWYBZELIMAPY-ZCFIWIBFSA-N 1 0 240.263 -1.839 20 0 BAADRO COCC(=O)N(C)CC(=O)N[C@@H](C)C[NH3+] ZINC000834608580 584914066 /nfs/dbraw/zinc/91/40/66/584914066.db2.gz AMUGTZKCCPTIQN-ZETCQYMHSA-N 1 0 217.269 -1.445 20 0 BAADRO C[C@@H](C[NH3+])NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000834610819 584914199 /nfs/dbraw/zinc/91/41/99/584914199.db2.gz ACIWYBZELIMAPY-LURJTMIESA-N 1 0 240.263 -1.839 20 0 BAADRO CC(C)NC(=O)CN(C)CC(=O)N[C@@H](C)C[NH3+] ZINC000834618767 587760975 /nfs/dbraw/zinc/76/09/75/587760975.db2.gz JZXMKVKQVRENJE-VIFPVBQESA-N 1 0 244.339 -1.094 20 0 BAADRO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[NH3+] ZINC000834618865 587761295 /nfs/dbraw/zinc/76/12/95/587761295.db2.gz XGMNNVXZVPGDHL-LURJTMIESA-N 1 0 223.298 -1.611 20 0 BAADRO C[C@H]([NH3+])CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000834686949 587764301 /nfs/dbraw/zinc/76/43/01/587764301.db2.gz PAGAYISIABXBCL-LURJTMIESA-N 1 0 240.263 -1.839 20 0 BAADRO C[C@@H]([NH3+])CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000834686950 587764260 /nfs/dbraw/zinc/76/42/60/587764260.db2.gz PAGAYISIABXBCL-ZCFIWIBFSA-N 1 0 240.263 -1.839 20 0 BAADRO CC(=O)NCCN(C)CN1CC(=O)N(C)C1=O ZINC000842634608 588047486 /nfs/dbraw/zinc/04/74/86/588047486.db2.gz FFIJRRQKELKNOX-UHFFFAOYSA-N 1 0 242.279 -1.094 20 0 BAADRO CN(C1CCOCC1)S(=O)(=O)NC1C[NH2+]C1 ZINC000842711549 588055131 /nfs/dbraw/zinc/05/51/31/588055131.db2.gz GVAAALFVLPGVOZ-UHFFFAOYSA-N 1 0 249.336 -1.097 20 0 BAADRO COCCOCCS(=O)(=O)N[C@@H](C)C[NH3+] ZINC000842784318 588063651 /nfs/dbraw/zinc/06/36/51/588063651.db2.gz STWRESZGXOAVKO-QMMMGPOBSA-N 1 0 240.325 -1.084 20 0 BAADRO CON(C)C(=O)CC[NH2+]C(CO)CO ZINC000843059105 588077911 /nfs/dbraw/zinc/07/79/11/588077911.db2.gz FFZYUIGQBWDHJC-UHFFFAOYSA-N 1 0 206.242 -1.661 20 0 BAADRO CON(C)C(=O)CC[NH2+]C[C@@H](O)CN(C)C ZINC000843061719 645261315 /nfs/dbraw/zinc/26/13/15/645261315.db2.gz JPLGGDBPCPVVJP-SECBINFHSA-N 1 0 233.312 -1.092 20 0 BAADRO CON(C)C(=O)CC[NH2+]C[C@H](O)CN(C)C ZINC000843061727 645260209 /nfs/dbraw/zinc/26/02/09/645260209.db2.gz JPLGGDBPCPVVJP-VIFPVBQESA-N 1 0 233.312 -1.092 20 0 BAADRO CON(C)C(=O)CC[NH2+][C@H](CO)[C@@H](C)O ZINC000843061963 645259384 /nfs/dbraw/zinc/25/93/84/645259384.db2.gz JTSKCCYWPMQONC-HTQZYQBOSA-N 1 0 220.269 -1.272 20 0 BAADRO CON(C)C(=O)CC[NH2+]C[C@@H](O)CO ZINC000843063165 588076532 /nfs/dbraw/zinc/07/65/32/588076532.db2.gz SNRUYSOKRUJOCU-SSDOTTSWSA-N 1 0 206.242 -1.661 20 0 BAADRO CON(C)C(=O)CC[NH2+]C[C@H](O)CO ZINC000843063166 588077139 /nfs/dbraw/zinc/07/71/39/588077139.db2.gz SNRUYSOKRUJOCU-ZETCQYMHSA-N 1 0 206.242 -1.661 20 0 BAADRO COC[C@H](O)C[NH2+]CCC(=O)N(C)OC ZINC000843076217 588079547 /nfs/dbraw/zinc/07/95/47/588079547.db2.gz FGYNQRIRPWIKOF-MRVPVSSYSA-N 1 0 220.269 -1.007 20 0 BAADRO NC(=O)NC(=O)CC[NH2+][C@H](CO)C1CC1 ZINC000843078537 645261866 /nfs/dbraw/zinc/26/18/66/645261866.db2.gz BPEOPKIIHUFMPR-SSDOTTSWSA-N 1 0 215.253 -1.068 20 0 BAADRO NC(=O)NC(=O)CC[NH2+][C@@H](CO)C1CC1 ZINC000843078545 645262596 /nfs/dbraw/zinc/26/25/96/645262596.db2.gz BPEOPKIIHUFMPR-ZETCQYMHSA-N 1 0 215.253 -1.068 20 0 BAADRO CON(C)C(=O)CC[NH2+]CC(C)(CO)CO ZINC000843079327 586205430 /nfs/dbraw/zinc/20/54/30/586205430.db2.gz WFQZTIDXWSPEAZ-UHFFFAOYSA-N 1 0 234.296 -1.023 20 0 BAADRO COC[C@H](CO)[NH2+]CCC(=O)N(C)OC ZINC000843079383 588080360 /nfs/dbraw/zinc/08/03/60/588080360.db2.gz YFZKLLBMLAUYIY-QMMMGPOBSA-N 1 0 220.269 -1.007 20 0 BAADRO COC[C@@H](O)C[NH2+]CCC(=O)N(C)OC ZINC000843080056 586225810 /nfs/dbraw/zinc/22/58/10/586225810.db2.gz FGYNQRIRPWIKOF-QMMMGPOBSA-N 1 0 220.269 -1.007 20 0 BAADRO CON(C)C(=O)CC[NH2+]C[C@@](C)(O)CO ZINC000843081417 588080024 /nfs/dbraw/zinc/08/00/24/588080024.db2.gz RSPISUUEQYGGNT-SECBINFHSA-N 1 0 220.269 -1.271 20 0 BAADRO CON(C)C(=O)CC[NH2+]C[C@](C)(O)CO ZINC000843081418 588080183 /nfs/dbraw/zinc/08/01/83/588080183.db2.gz RSPISUUEQYGGNT-VIFPVBQESA-N 1 0 220.269 -1.271 20 0 BAADRO COC[C@@H](CO)[NH2+]CCC(=O)N(C)OC ZINC000843082167 586240664 /nfs/dbraw/zinc/24/06/64/586240664.db2.gz YFZKLLBMLAUYIY-MRVPVSSYSA-N 1 0 220.269 -1.007 20 0 BAADRO CCN(CCO)CC[NH2+]CCS(C)(=O)=O ZINC000843094795 645263591 /nfs/dbraw/zinc/26/35/91/645263591.db2.gz LTTCRKVRYVVZMZ-UHFFFAOYSA-N 1 0 238.353 -1.065 20 0 BAADRO CNC(=O)[C@@H](O)C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000843109546 588082106 /nfs/dbraw/zinc/08/21/06/588082106.db2.gz GDOMAXRVVUJFKB-CAHLUQPWSA-N 1 0 244.213 -1.004 20 0 BAADRO CNC(=O)[C@@H](O)C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000843109553 588082368 /nfs/dbraw/zinc/08/23/68/588082368.db2.gz GDOMAXRVVUJFKB-FSPLSTOPSA-N 1 0 244.213 -1.004 20 0 BAADRO CNC(=O)[C@H](O)C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000843109775 588082344 /nfs/dbraw/zinc/08/23/44/588082344.db2.gz GDOMAXRVVUJFKB-IYSWYEEDSA-N 1 0 244.213 -1.004 20 0 BAADRO CNC(=O)[C@H](O)C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000843109776 588082247 /nfs/dbraw/zinc/08/22/47/588082247.db2.gz GDOMAXRVVUJFKB-VDTYLAMSSA-N 1 0 244.213 -1.004 20 0 BAADRO CNC(=O)[C@H](O)C[NH2+]C[C@@H](O)COCC(C)C ZINC000843110474 588082461 /nfs/dbraw/zinc/08/24/61/588082461.db2.gz MPEXFQRMWCKQIJ-NXEZZACHSA-N 1 0 248.323 -1.284 20 0 BAADRO CNC(=O)[C@@H](O)C[NH2+]C[C@H](O)COCC(C)C ZINC000843110475 588082408 /nfs/dbraw/zinc/08/24/08/588082408.db2.gz MPEXFQRMWCKQIJ-UWVGGRQHSA-N 1 0 248.323 -1.284 20 0 BAADRO CNC(=O)[C@H](O)C[NH2+]C[C@H](O)COCC(C)C ZINC000843110476 588082240 /nfs/dbraw/zinc/08/22/40/588082240.db2.gz MPEXFQRMWCKQIJ-VHSXEESVSA-N 1 0 248.323 -1.284 20 0 BAADRO CNC(=O)[C@@H](O)C[NH2+]C[C@@H](O)COCC(C)C ZINC000843110477 588082188 /nfs/dbraw/zinc/08/21/88/588082188.db2.gz MPEXFQRMWCKQIJ-ZJUUUORDSA-N 1 0 248.323 -1.284 20 0 BAADRO CNC(=O)[C@H](O)C[NH2+]CC1(O)CCCC1 ZINC000843110508 588081989 /nfs/dbraw/zinc/08/19/89/588081989.db2.gz NDIJVOFOQMZIDQ-MRVPVSSYSA-N 1 0 216.281 -1.012 20 0 BAADRO CNC(=O)[C@@H](O)C[NH2+]CC1(O)CCCC1 ZINC000843110509 588081901 /nfs/dbraw/zinc/08/19/01/588081901.db2.gz NDIJVOFOQMZIDQ-QMMMGPOBSA-N 1 0 216.281 -1.012 20 0 BAADRO CON(C)C(=O)CC[NH2+][C@@H](CO)CN(C)C ZINC000843114729 588082872 /nfs/dbraw/zinc/08/28/72/588082872.db2.gz GLXGZJIZDJLNQX-SECBINFHSA-N 1 0 233.312 -1.092 20 0 BAADRO CON(C)C(=O)CC[NH2+][C@H](CO)CN(C)C ZINC000843114730 588083119 /nfs/dbraw/zinc/08/31/19/588083119.db2.gz GLXGZJIZDJLNQX-VIFPVBQESA-N 1 0 233.312 -1.092 20 0 BAADRO CON(C)C(=O)CC[NH2+][C@@H]1COC[C@H]1O ZINC000843117444 588082700 /nfs/dbraw/zinc/08/27/00/588082700.db2.gz QKYBWGXFTCXNDX-HTQZYQBOSA-N 1 0 218.253 -1.254 20 0 BAADRO O=C(CO[C@@H]1CCC[NH2+]C1)N1CCNC(=O)C1 ZINC000843362268 588104312 /nfs/dbraw/zinc/10/43/12/588104312.db2.gz BDFXQQCHRSZUKY-SECBINFHSA-N 1 0 241.291 -1.287 20 0 BAADRO O=C(CO[C@H]1CCC[NH2+]C1)N1CCNC(=O)C1 ZINC000843362269 588104572 /nfs/dbraw/zinc/10/45/72/588104572.db2.gz BDFXQQCHRSZUKY-VIFPVBQESA-N 1 0 241.291 -1.287 20 0 BAADRO C[C@H]1CN(C(=O)CN(CC[NH3+])CCO)CCO1 ZINC000843367364 645285182 /nfs/dbraw/zinc/28/51/82/645285182.db2.gz DDNZQTVVPNYGBL-JTQLQIEISA-N 1 0 245.323 -1.513 20 0 BAADRO C[C@@H]1CN(C(=O)CN(CC[NH3+])CCO)CCO1 ZINC000843367365 645286089 /nfs/dbraw/zinc/28/60/89/645286089.db2.gz DDNZQTVVPNYGBL-SNVBAGLBSA-N 1 0 245.323 -1.513 20 0 BAADRO [NH3+]CCN(CCO)CC(=O)Nc1ccon1 ZINC000843368316 645285335 /nfs/dbraw/zinc/28/53/35/645285335.db2.gz QQGAWGJDDDMIIA-UHFFFAOYSA-N 1 0 228.252 -1.134 20 0 BAADRO CN(C)C(=O)CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843369885 645285956 /nfs/dbraw/zinc/28/59/56/645285956.db2.gz XSDKCEKFFBYUFJ-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO CN(C)C(=O)CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843369889 645287083 /nfs/dbraw/zinc/28/70/83/645287083.db2.gz XSDKCEKFFBYUFJ-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO CN(CCS(C)(=O)=O)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000843384891 588105688 /nfs/dbraw/zinc/10/56/88/588105688.db2.gz GJJNIJCBGGPWKC-BRPSZJMVSA-N 1 0 246.332 -1.045 20 0 BAADRO O=C(NC[C@H]1COCCO1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000843390679 645288637 /nfs/dbraw/zinc/28/86/37/645288637.db2.gz CJQUJNVGFFBAHK-AXTSPUMRSA-N 1 0 226.276 -1.017 20 0 BAADRO O=C(NC[C@@H]1COCCO1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000843390680 645287821 /nfs/dbraw/zinc/28/78/21/645287821.db2.gz CJQUJNVGFFBAHK-IMSYWVGJSA-N 1 0 226.276 -1.017 20 0 BAADRO NC(=O)C1(NC(=O)COCC[NH3+])CCCC1 ZINC000843438774 588110271 /nfs/dbraw/zinc/11/02/71/588110271.db2.gz CDNIYDTUYFVOIH-UHFFFAOYSA-N 1 0 229.280 -1.124 20 0 BAADRO NC(=O)C1(NC(=O)[C@H]2C[NH2+]CCO2)CCCC1 ZINC000843439663 588110409 /nfs/dbraw/zinc/11/04/09/588110409.db2.gz XQNGCTCDMMSEGF-MRVPVSSYSA-N 1 0 241.291 -1.111 20 0 BAADRO NC(=O)C1(NC(=O)[C@@H]2C[NH2+]CCO2)CCCC1 ZINC000843439664 588110350 /nfs/dbraw/zinc/11/03/50/588110350.db2.gz XQNGCTCDMMSEGF-QMMMGPOBSA-N 1 0 241.291 -1.111 20 0 BAADRO COC(=O)CC(C)(C)NC(=O)CNC(=O)C[NH3+] ZINC000843440723 588110477 /nfs/dbraw/zinc/11/04/77/588110477.db2.gz BUMSNGQPIKQYHO-UHFFFAOYSA-N 1 0 245.279 -1.481 20 0 BAADRO CC[NH2+]CC(=O)N1CCO[C@@H](CNC(C)=O)C1 ZINC000843440945 588110070 /nfs/dbraw/zinc/11/00/70/588110070.db2.gz PDGVXZITBHAKCM-JTQLQIEISA-N 1 0 243.307 -1.041 20 0 BAADRO CC[NH2+]CC(=O)N1CCO[C@H](CNC(C)=O)C1 ZINC000843440947 588110204 /nfs/dbraw/zinc/11/02/04/588110204.db2.gz PDGVXZITBHAKCM-SNVBAGLBSA-N 1 0 243.307 -1.041 20 0 BAADRO C[NH2+]CCN(C)C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000843452753 588112100 /nfs/dbraw/zinc/11/21/00/588112100.db2.gz NENUTOYEMADIRA-MRVPVSSYSA-N 1 0 249.336 -1.302 20 0 BAADRO C[NH2+]CCN(C)C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000843452758 588111773 /nfs/dbraw/zinc/11/17/73/588111773.db2.gz NENUTOYEMADIRA-QMMMGPOBSA-N 1 0 249.336 -1.302 20 0 BAADRO C[C@@H](C[NH3+])NC(=O)CCS(=O)(=O)N(C)C ZINC000843469953 588111258 /nfs/dbraw/zinc/11/12/58/588111258.db2.gz DPXVNKGOKKYNKH-ZETCQYMHSA-N 1 0 237.325 -1.269 20 0 BAADRO C[C@@H](C[NH3+])NC(=O)CN1CCOCC1 ZINC000843470102 588113678 /nfs/dbraw/zinc/11/36/78/588113678.db2.gz RSDJFZQIGPZGFY-QMMMGPOBSA-N 1 0 201.270 -1.218 20 0 BAADRO C[C@@H](C[NH3+])NC(=O)c1nc2n(n1)CCCN2 ZINC000843470230 588113667 /nfs/dbraw/zinc/11/36/67/588113667.db2.gz YBESTEFKGLABLT-LURJTMIESA-N 1 0 224.268 -1.572 20 0 BAADRO COC(=O)c1cn(CC(=O)N[C@@H](C)C[NH3+])nn1 ZINC000843470248 588113587 /nfs/dbraw/zinc/11/35/87/588113587.db2.gz ZOQISQXTERKCCM-LURJTMIESA-N 1 0 241.251 -1.472 20 0 BAADRO CC[NH2+]CC(=O)N[C@H](COC)C(=O)OC ZINC000843491780 588115544 /nfs/dbraw/zinc/11/55/44/588115544.db2.gz WAHAPWFSMBYSHB-SSDOTTSWSA-N 1 0 218.253 -1.100 20 0 BAADRO CC[NH2+]CC(=O)N[C@@H](COC)C(=O)OC ZINC000843491781 588115610 /nfs/dbraw/zinc/11/56/10/588115610.db2.gz WAHAPWFSMBYSHB-ZETCQYMHSA-N 1 0 218.253 -1.100 20 0 BAADRO CC[NH2+]CC(=O)N1CCO[C@@H](C(=O)NC)C1 ZINC000843492362 588115293 /nfs/dbraw/zinc/11/52/93/588115293.db2.gz QOUODECHSQLFAU-MRVPVSSYSA-N 1 0 229.280 -1.431 20 0 BAADRO CC[NH2+]CC(=O)N1CCO[C@H](C(=O)NC)C1 ZINC000843492363 588115430 /nfs/dbraw/zinc/11/54/30/588115430.db2.gz QOUODECHSQLFAU-QMMMGPOBSA-N 1 0 229.280 -1.431 20 0 BAADRO CC[NH2+]CC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000843493484 588115773 /nfs/dbraw/zinc/11/57/73/588115773.db2.gz DNBDOSQJTKQOBB-UHFFFAOYSA-N 1 0 239.279 -1.135 20 0 BAADRO CCc1cc(NC(=O)CNC(=O)C[NH3+])nn1C ZINC000843501477 588116820 /nfs/dbraw/zinc/11/68/20/588116820.db2.gz LBDIWASRZFNWJP-UHFFFAOYSA-N 1 0 239.279 -1.004 20 0 BAADRO C[C@@H]1[C@H](C(=O)NN2CC(=O)NC2=O)CC[N@@H+]1C ZINC000843768069 588138695 /nfs/dbraw/zinc/13/86/95/588138695.db2.gz QZPHBUOLMBFYGG-RNFRBKRXSA-N 1 0 240.263 -1.090 20 0 BAADRO C[C@@H]1[C@H](C(=O)NC2=NCC(=O)N2)CC[N@@H+]1C ZINC000843797127 588140596 /nfs/dbraw/zinc/14/05/96/588140596.db2.gz SIZKFGHCYMMSHB-RNFRBKRXSA-N 1 0 224.264 -1.071 20 0 BAADRO COC[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC000843843050 588144253 /nfs/dbraw/zinc/14/42/53/588144253.db2.gz WKPCABXXNHJYFC-HLTSFMKQSA-N 1 0 243.307 -1.057 20 0 BAADRO COC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC000843843054 588144210 /nfs/dbraw/zinc/14/42/10/588144210.db2.gz WKPCABXXNHJYFC-IWSPIJDZSA-N 1 0 243.307 -1.057 20 0 BAADRO CNC(=O)[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000844137417 588169695 /nfs/dbraw/zinc/16/96/95/588169695.db2.gz OZIOZLPUSKUNNI-HLTSFMKQSA-N 1 0 243.307 -1.450 20 0 BAADRO CNC(=O)[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000844137418 582575672 /nfs/dbraw/zinc/57/56/72/582575672.db2.gz OZIOZLPUSKUNNI-IWSPIJDZSA-N 1 0 243.307 -1.450 20 0 BAADRO C[N@@H+]1CC[C@@H](C(=O)NCCn2cnnn2)C1 ZINC000845795641 588245420 /nfs/dbraw/zinc/24/54/20/588245420.db2.gz FIXOWPCOUXACBI-MRVPVSSYSA-N 1 0 224.268 -1.259 20 0 BAADRO C[N@@H+]1CC[C@H](C(=O)NCCn2cnnn2)C1 ZINC000845795642 588245467 /nfs/dbraw/zinc/24/54/67/588245467.db2.gz FIXOWPCOUXACBI-QMMMGPOBSA-N 1 0 224.268 -1.259 20 0 BAADRO C[C@@H](C(=O)NCCn1cnnn1)[NH+](C)C ZINC000845799032 588245800 /nfs/dbraw/zinc/24/58/00/588245800.db2.gz LSBIDXBIGPHFCZ-ZETCQYMHSA-N 1 0 212.257 -1.261 20 0 BAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCCn1cnnn1 ZINC000845803640 588245962 /nfs/dbraw/zinc/24/59/62/588245962.db2.gz ZCQWOFJDMUXYGO-MRVPVSSYSA-N 1 0 224.268 -1.117 20 0 BAADRO C[N@@H+]1CCC[C@H]1C(=O)NCCn1cnnn1 ZINC000845803641 588246058 /nfs/dbraw/zinc/24/60/58/588246058.db2.gz ZCQWOFJDMUXYGO-QMMMGPOBSA-N 1 0 224.268 -1.117 20 0 BAADRO C[C@@H](C[NH3+])NC(=O)N1CCN(C)C(=O)C1 ZINC000846171248 588259200 /nfs/dbraw/zinc/25/92/00/588259200.db2.gz FQMFGAQJEPWOOT-ZETCQYMHSA-N 1 0 214.269 -1.183 20 0 BAADRO C[C@@H](C[NH3+])NC(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000846174392 588259226 /nfs/dbraw/zinc/25/92/26/588259226.db2.gz YPNDBXSPLUENEU-LYFYHCNISA-N 1 0 214.269 -1.103 20 0 BAADRO NC(=O)[C@H]1C[C@@H](NC(=O)N(CC[NH3+])CCO)C1 ZINC000846181850 588259269 /nfs/dbraw/zinc/25/92/69/588259269.db2.gz DZKIPKXZAROUQZ-OCAPTIKFSA-N 1 0 244.295 -1.787 20 0 BAADRO C[C@@H](C[NH3+])NS(=O)(=O)N1CCCOCC1 ZINC000846231729 588261986 /nfs/dbraw/zinc/26/19/86/588261986.db2.gz OCGLFHAFOXIYIU-QMMMGPOBSA-N 1 0 237.325 -1.110 20 0 BAADRO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000846341971 588264662 /nfs/dbraw/zinc/26/46/62/588264662.db2.gz HAIAVXLKTFEURK-ZETCQYMHSA-N 1 0 242.279 -2.250 20 0 BAADRO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000846343297 588264579 /nfs/dbraw/zinc/26/45/79/588264579.db2.gz MMADECKFUIUTRB-KDXUFGMBSA-N 1 0 241.291 -1.114 20 0 BAADRO COC(=O)[C@H]1[C@@H]2C[N@H+]([C@@H]3CC(=O)NC3=O)C[C@@H]21 ZINC000846701894 588283897 /nfs/dbraw/zinc/28/38/97/588283897.db2.gz FNSDPRBIEQAKHQ-AYHNYZOXSA-N 1 0 238.243 -1.248 20 0 BAADRO COC(=O)[C@H]1[C@@H]2C[N@H+]([C@H]3CC(=O)NC3=O)C[C@@H]21 ZINC000846701895 588283939 /nfs/dbraw/zinc/28/39/39/588283939.db2.gz FNSDPRBIEQAKHQ-VOQBNFLRSA-N 1 0 238.243 -1.248 20 0 BAADRO O=C1C[C@@H]([NH2+]CCO)C(=O)N1CCCO ZINC000846702223 588283754 /nfs/dbraw/zinc/28/37/54/588283754.db2.gz GQWUJSLIISJQFP-SSDOTTSWSA-N 1 0 216.237 -1.922 20 0 BAADRO O=C1C[C@H]([NH2+]CCO)C(=O)N1CCCO ZINC000846702240 588283883 /nfs/dbraw/zinc/28/38/83/588283883.db2.gz GQWUJSLIISJQFP-ZETCQYMHSA-N 1 0 216.237 -1.922 20 0 BAADRO C[C@H](CO)[NH2+][C@@H]1CC(=O)N(CCCO)C1=O ZINC000846702405 588283815 /nfs/dbraw/zinc/28/38/15/588283815.db2.gz NRAGEHAVOXNJMZ-HTQZYQBOSA-N 1 0 230.264 -1.533 20 0 BAADRO C[C@@H](CO)[NH2+][C@@H]1CC(=O)N(CCCO)C1=O ZINC000846702406 588283824 /nfs/dbraw/zinc/28/38/24/588283824.db2.gz NRAGEHAVOXNJMZ-JGVFFNPUSA-N 1 0 230.264 -1.533 20 0 BAADRO C[C@H](CO)[NH2+][C@H]1CC(=O)N(CCCO)C1=O ZINC000846702407 588283624 /nfs/dbraw/zinc/28/36/24/588283624.db2.gz NRAGEHAVOXNJMZ-SFYZADRCSA-N 1 0 230.264 -1.533 20 0 BAADRO C[C@@H](CO)[NH2+][C@H]1CC(=O)N(CCCO)C1=O ZINC000846702408 588283800 /nfs/dbraw/zinc/28/38/00/588283800.db2.gz NRAGEHAVOXNJMZ-YUMQZZPRSA-N 1 0 230.264 -1.533 20 0 BAADRO COCC[NH2+][C@@H]1CC(=O)N(CCCO)C1=O ZINC000846705084 588283818 /nfs/dbraw/zinc/28/38/18/588283818.db2.gz XWABEPCITWWBSK-MRVPVSSYSA-N 1 0 230.264 -1.268 20 0 BAADRO COCC[NH2+][C@H]1CC(=O)N(CCCO)C1=O ZINC000846705086 588283065 /nfs/dbraw/zinc/28/30/65/588283065.db2.gz XWABEPCITWWBSK-QMMMGPOBSA-N 1 0 230.264 -1.268 20 0 BAADRO C[C@@H](O)C[NH2+][C@@H]1CC(=O)N(CCCO)C1=O ZINC000846705136 588283187 /nfs/dbraw/zinc/28/31/87/588283187.db2.gz YEBZVGQDGKEGNY-HTQZYQBOSA-N 1 0 230.264 -1.533 20 0 BAADRO C[C@H](O)C[NH2+][C@@H]1CC(=O)N(CCCO)C1=O ZINC000846705138 588283236 /nfs/dbraw/zinc/28/32/36/588283236.db2.gz YEBZVGQDGKEGNY-JGVFFNPUSA-N 1 0 230.264 -1.533 20 0 BAADRO C[C@@H](O)C[NH2+][C@H]1CC(=O)N(CCCO)C1=O ZINC000846705140 588283201 /nfs/dbraw/zinc/28/32/01/588283201.db2.gz YEBZVGQDGKEGNY-SFYZADRCSA-N 1 0 230.264 -1.533 20 0 BAADRO C[C@H](O)C[NH2+][C@H]1CC(=O)N(CCCO)C1=O ZINC000846705141 588283042 /nfs/dbraw/zinc/28/30/42/588283042.db2.gz YEBZVGQDGKEGNY-YUMQZZPRSA-N 1 0 230.264 -1.533 20 0 BAADRO NCC(F)(F)CC(=O)NN1CC(=O)NC1=O ZINC000846716595 588284232 /nfs/dbraw/zinc/28/42/32/588284232.db2.gz CXXBDXVLDCCBLR-UHFFFAOYSA-N 1 0 236.178 -1.447 20 0 BAADRO C[C@@H]1CN(C(=O)C[NH2+]C(CO)CO)CCO1 ZINC000846934700 588297523 /nfs/dbraw/zinc/29/75/23/588297523.db2.gz HNKWMBBOMLSNJB-MRVPVSSYSA-N 1 0 232.280 -1.824 20 0 BAADRO C[C@H]1CN(C(=O)C[NH2+]C(CO)CO)CCO1 ZINC000846934704 588297508 /nfs/dbraw/zinc/29/75/08/588297508.db2.gz HNKWMBBOMLSNJB-QMMMGPOBSA-N 1 0 232.280 -1.824 20 0 BAADRO O=C(NCCC[NH2+]C(CO)CO)C(F)(F)F ZINC000846940444 588297882 /nfs/dbraw/zinc/29/78/82/588297882.db2.gz OYPPWEDBZZICMP-UHFFFAOYSA-N 1 0 244.213 -1.002 20 0 BAADRO O=C(CC[NH2+]C(CO)CO)N1CCCC1 ZINC000846941367 588297829 /nfs/dbraw/zinc/29/78/29/588297829.db2.gz RRHFTAHAHWUHJU-UHFFFAOYSA-N 1 0 216.281 -1.058 20 0 BAADRO O=C1O[C@H](C[NH2+]C(CO)CO)CN1C1CC1 ZINC000846941664 588297878 /nfs/dbraw/zinc/29/78/78/588297878.db2.gz TYUYNHKCUJJYGI-SECBINFHSA-N 1 0 230.264 -1.088 20 0 BAADRO O=C1O[C@@H](C[NH2+]C(CO)CO)CN1C1CC1 ZINC000846942173 588297693 /nfs/dbraw/zinc/29/76/93/588297693.db2.gz TYUYNHKCUJJYGI-VIFPVBQESA-N 1 0 230.264 -1.088 20 0 BAADRO CON(C)C(=O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000847042385 588304700 /nfs/dbraw/zinc/30/47/00/588304700.db2.gz HWOUOQLNVHRQNH-VHSXEESVSA-N 1 0 243.307 -1.243 20 0 BAADRO O=C(O[C@H]1CNOC1)[C@@H]1CN2CCN1CCC2 ZINC000848059493 588351824 /nfs/dbraw/zinc/35/18/24/588351824.db2.gz FXAIMJBSMCLHBZ-UWVGGRQHSA-N 1 0 241.291 -1.177 20 0 BAADRO O=C(O[C@H]1CNOC1)[C@H]1CN2CCN1CCC2 ZINC000848059495 588351853 /nfs/dbraw/zinc/35/18/53/588351853.db2.gz FXAIMJBSMCLHBZ-VHSXEESVSA-N 1 0 241.291 -1.177 20 0 BAADRO C[NH2+]CCN(C)C(=O)Cn1nc(C)n(C)c1=O ZINC000848416925 588381502 /nfs/dbraw/zinc/38/15/02/588381502.db2.gz DCIXHZAULXEEFE-UHFFFAOYSA-N 1 0 241.295 -1.432 20 0 BAADRO Cc1nn(CC(=O)N[C@@H](C)C[NH3+])c(=O)n1C ZINC000848423049 588383519 /nfs/dbraw/zinc/38/35/19/588383519.db2.gz WXNIYXRGDUANHO-LURJTMIESA-N 1 0 227.268 -1.646 20 0 BAADRO COCC1(CNC(=O)C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000848613771 588401924 /nfs/dbraw/zinc/40/19/24/588401924.db2.gz OTWIBCWZKNXRGI-QMMMGPOBSA-N 1 0 243.307 -1.007 20 0 BAADRO [NH2+]=C(NCCO)NCCCN1CCOCC1 ZINC000848980626 588422905 /nfs/dbraw/zinc/42/29/05/588422905.db2.gz TUWXYZNSDNPBIL-UHFFFAOYSA-N 1 0 230.312 -1.185 20 0 BAADRO COCCNC(=[NH2+])NCCOCCO ZINC000848981020 588423687 /nfs/dbraw/zinc/42/36/87/588423687.db2.gz VXCOHRDTCCOTBB-UHFFFAOYSA-N 1 0 205.258 -1.244 20 0 BAADRO COCCNC(=[NH2+])NCCNC(C)=O ZINC000848981231 588423512 /nfs/dbraw/zinc/42/35/12/588423512.db2.gz HWKMTOIIZIUGOS-UHFFFAOYSA-N 1 0 202.258 -1.117 20 0 BAADRO CC(=O)NCCNC(=[NH2+])N1CCOCC1 ZINC000848981265 588423583 /nfs/dbraw/zinc/42/35/83/588423583.db2.gz NDGZAKAISYKNKH-UHFFFAOYSA-N 1 0 214.269 -1.021 20 0 BAADRO COCCNC(=[NH2+])NCC(=O)N(C)C ZINC000848981966 582816298 /nfs/dbraw/zinc/81/62/98/582816298.db2.gz ADNPZSGUSQMUDD-UHFFFAOYSA-N 1 0 202.258 -1.165 20 0 BAADRO CNC(=O)CNC(=[NH2+])N[C@@H](C)COC ZINC000848982029 588424161 /nfs/dbraw/zinc/42/41/61/588424161.db2.gz LMPUAQIEEVCQGT-LURJTMIESA-N 1 0 202.258 -1.119 20 0 BAADRO CNC(=O)CNC(=[NH2+])N[C@H](C)COC ZINC000848982030 588423930 /nfs/dbraw/zinc/42/39/30/588423930.db2.gz LMPUAQIEEVCQGT-ZCFIWIBFSA-N 1 0 202.258 -1.119 20 0 BAADRO COCCNC(=[NH2+])NCC(=O)NCCOC ZINC000848983143 588424686 /nfs/dbraw/zinc/42/46/86/588424686.db2.gz LXRLROWEGDPTFW-UHFFFAOYSA-N 1 0 232.284 -1.491 20 0 BAADRO COCCNC(=O)CNC(=[NH2+])N1CCC1 ZINC000848983159 588424516 /nfs/dbraw/zinc/42/45/16/588424516.db2.gz PWUYSQSNPXWAGP-UHFFFAOYSA-N 1 0 214.269 -1.021 20 0 BAADRO CS(=O)(=O)NCCNC(=[NH2+])N1CCC1 ZINC000848984465 588424852 /nfs/dbraw/zinc/42/48/52/588424852.db2.gz MOKQSAIRVDGKEI-UHFFFAOYSA-N 1 0 220.298 -1.234 20 0 BAADRO COCCNC(=[NH2+])NCCNS(C)(=O)=O ZINC000848984541 588424981 /nfs/dbraw/zinc/42/49/81/588424981.db2.gz UZKWVGQPIPTFJA-UHFFFAOYSA-N 1 0 238.313 -1.704 20 0 BAADRO CNC(=[NH2+])NCCN1CCN(C(C)=O)CC1 ZINC000848987834 588426122 /nfs/dbraw/zinc/42/61/22/588426122.db2.gz FUMGNKKYZIPXAS-UHFFFAOYSA-N 1 0 227.312 -1.106 20 0 BAADRO CNC(=O)CCNC(=[NH2+])N1CCOCC1 ZINC000848993549 588427825 /nfs/dbraw/zinc/42/78/25/588427825.db2.gz ITHVWPXYEBRHMW-UHFFFAOYSA-N 1 0 214.269 -1.021 20 0 BAADRO CNC(=O)CCNC(=[NH2+])NCCOC ZINC000848993571 588427985 /nfs/dbraw/zinc/42/79/85/588427985.db2.gz LQDXBCIOGOQZSY-UHFFFAOYSA-N 1 0 202.258 -1.117 20 0 BAADRO CN1CCC[NH+]=C1NCCN1C(=O)CNC1=O ZINC000849008697 588434096 /nfs/dbraw/zinc/43/40/96/588434096.db2.gz OBPUABRDBUQQOB-UHFFFAOYSA-N 1 0 239.279 -1.181 20 0 BAADRO CN1CC[NH+]=C1NCCN1C(=O)CNC1=O ZINC000849008803 588434151 /nfs/dbraw/zinc/43/41/51/588434151.db2.gz SVHFOEVHLFQAJV-UHFFFAOYSA-N 1 0 225.252 -1.571 20 0 BAADRO [NH2+]=C(NCCN1C(=O)CNC1=O)N1CCC1 ZINC000849008854 588433896 /nfs/dbraw/zinc/43/38/96/588433896.db2.gz WHNGWTVSXVYGPX-UHFFFAOYSA-N 1 0 225.252 -1.232 20 0 BAADRO CCNC(=[NH2+])NCCN1C(=O)CNC1=O ZINC000849008909 588434121 /nfs/dbraw/zinc/43/41/21/588434121.db2.gz XLHWXCYAQVHGPI-UHFFFAOYSA-N 1 0 213.241 -1.328 20 0 BAADRO COCCNC(=[NH2+])NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000849013017 588435977 /nfs/dbraw/zinc/43/59/77/588435977.db2.gz ISPNVOUEELSHBG-HTQZYQBOSA-N 1 0 244.295 -1.220 20 0 BAADRO COCCNC(=[NH2+])NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000849013018 588436045 /nfs/dbraw/zinc/43/60/45/588436045.db2.gz ISPNVOUEELSHBG-JGVFFNPUSA-N 1 0 244.295 -1.220 20 0 BAADRO COCCNC(=[NH2+])NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000849013019 588435980 /nfs/dbraw/zinc/43/59/80/588435980.db2.gz ISPNVOUEELSHBG-SFYZADRCSA-N 1 0 244.295 -1.220 20 0 BAADRO COCCNC(=[NH2+])NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000849013020 588435802 /nfs/dbraw/zinc/43/58/02/588435802.db2.gz ISPNVOUEELSHBG-YUMQZZPRSA-N 1 0 244.295 -1.220 20 0 BAADRO NC(=[NH2+])NCCNS(=O)(=O)c1cccnc1 ZINC000849013909 588436212 /nfs/dbraw/zinc/43/62/12/588436212.db2.gz RIGGXOGUTGJMDC-UHFFFAOYSA-N 1 0 243.292 -1.157 20 0 BAADRO COC[C@@H](C)NC(=[NH2+])NCCc1nnnn1C ZINC000849016220 588437109 /nfs/dbraw/zinc/43/71/09/588437109.db2.gz VKNNENIWGXSMGL-SSDOTTSWSA-N 1 0 241.299 -1.099 20 0 BAADRO COC[C@H](C)NC(=[NH2+])NCCc1nnnn1C ZINC000849016221 588436914 /nfs/dbraw/zinc/43/69/14/588436914.db2.gz VKNNENIWGXSMGL-ZETCQYMHSA-N 1 0 241.299 -1.099 20 0 BAADRO COCCNC(=[NH2+])NCC(=O)N1CCOCC1 ZINC000849016395 588437063 /nfs/dbraw/zinc/43/70/63/588437063.db2.gz VSUYNKBWYQRJBS-UHFFFAOYSA-N 1 0 244.295 -1.394 20 0 BAADRO CCNC(=[NH2+])NCCN1CCNC(=O)C1 ZINC000849017239 588437327 /nfs/dbraw/zinc/43/73/27/588437327.db2.gz ODTWBRLBSZXRTH-UHFFFAOYSA-N 1 0 213.285 -1.448 20 0 BAADRO [NH2+]=C(NCCN1CCNC(=O)C1)N1CCC1 ZINC000849017240 588437427 /nfs/dbraw/zinc/43/74/27/588437427.db2.gz OEXMVBCCXUVUNT-UHFFFAOYSA-N 1 0 225.296 -1.352 20 0 BAADRO COCCNC(=[NH2+])NCCN1CCNC(=O)C1 ZINC000849017466 588437272 /nfs/dbraw/zinc/43/72/72/588437272.db2.gz YDXSQYUJWHNELH-UHFFFAOYSA-N 1 0 243.311 -1.821 20 0 BAADRO CN1CCC[NH+]=C1NCCN1CCNC(=O)C1 ZINC000849017476 588437455 /nfs/dbraw/zinc/43/74/55/588437455.db2.gz ZAAODDFAXBFBLK-UHFFFAOYSA-N 1 0 239.323 -1.301 20 0 BAADRO CC(C)NS(=O)(=O)NCCNC(N)=[NH2+] ZINC000849022493 582829063 /nfs/dbraw/zinc/82/90/63/582829063.db2.gz DFUGHDHMXZIUQA-UHFFFAOYSA-N 1 0 223.302 -1.698 20 0 BAADRO CNC(=[NH2+])NCCNS(=O)(=O)NC(C)C ZINC000849022644 588439250 /nfs/dbraw/zinc/43/92/50/588439250.db2.gz OXXYDMROEZUZEV-UHFFFAOYSA-N 1 0 237.329 -1.437 20 0 BAADRO Cn1nnc(CNC(=[NH2+])N2CCOCC2)n1 ZINC000849023286 588439527 /nfs/dbraw/zinc/43/95/27/588439527.db2.gz FYHZKFXWZJGECQ-UHFFFAOYSA-N 1 0 225.256 -1.433 20 0 BAADRO CN(C)C(=[NH2+])NCCS(=O)(=O)N(C)C ZINC000849029720 588442302 /nfs/dbraw/zinc/44/23/02/588442302.db2.gz JHUJNSKGYSHDJW-UHFFFAOYSA-N 1 0 222.314 -1.036 20 0 BAADRO CC[C@H](CNS(C)(=O)=O)NC(N)=[NH2+] ZINC000849035318 588444601 /nfs/dbraw/zinc/44/46/01/588444601.db2.gz CFUHNWBKCXPWAM-RXMQYKEDSA-N 1 0 208.287 -1.203 20 0 BAADRO CC[C@@H](CNS(C)(=O)=O)NC(N)=[NH2+] ZINC000849035322 588444711 /nfs/dbraw/zinc/44/47/11/588444711.db2.gz CFUHNWBKCXPWAM-YFKPBYRVSA-N 1 0 208.287 -1.203 20 0 BAADRO CN1CCC[NH+]=C1NC[C@@H](O)Cn1ccnn1 ZINC000849041107 588447803 /nfs/dbraw/zinc/44/78/03/588447803.db2.gz KHOQNTZIPHIRNO-SECBINFHSA-N 1 0 238.295 -1.080 20 0 BAADRO CN1CCC[NH+]=C1NC[C@H](O)Cn1ccnn1 ZINC000849041108 588448015 /nfs/dbraw/zinc/44/80/15/588448015.db2.gz KHOQNTZIPHIRNO-VIFPVBQESA-N 1 0 238.295 -1.080 20 0 BAADRO CON(C)C(=O)CNC(=[NH2+])N1CCOCC1 ZINC000849043933 588449126 /nfs/dbraw/zinc/44/91/26/588449126.db2.gz LOIZCINCRVBSKL-UHFFFAOYSA-N 1 0 230.268 -1.137 20 0 BAADRO COCCNC(=[NH2+])NCC(=O)N(C)OC ZINC000849044058 588449153 /nfs/dbraw/zinc/44/91/53/588449153.db2.gz RQANJGQEEWQZOW-UHFFFAOYSA-N 1 0 218.257 -1.233 20 0 BAADRO O=C1CNC(=O)N1CCNC1=[NH+]CCCCN1 ZINC000849216100 588462422 /nfs/dbraw/zinc/46/24/22/588462422.db2.gz UIHOAOVOBAIEBF-UHFFFAOYSA-N 1 0 239.279 -1.133 20 0 BAADRO O=C1CN(CCNC2=[NH+]CCCCN2)CCN1 ZINC000849217522 588462660 /nfs/dbraw/zinc/46/26/60/588462660.db2.gz KJGHPYJYYFEXBW-UHFFFAOYSA-N 1 0 239.323 -1.253 20 0 BAADRO O[C@H](CNC1=[NH+]CCCCN1)Cn1ccnn1 ZINC000849218233 588463038 /nfs/dbraw/zinc/46/30/38/588463038.db2.gz QRLILIPKGOSKGI-SECBINFHSA-N 1 0 238.295 -1.032 20 0 BAADRO O[C@@H](CNC1=[NH+]CCCCN1)Cn1ccnn1 ZINC000849218234 588463070 /nfs/dbraw/zinc/46/30/70/588463070.db2.gz QRLILIPKGOSKGI-VIFPVBQESA-N 1 0 238.295 -1.032 20 0 BAADRO C[NH+](C)CCNC(=S)N[C@@H]1CCNC1=O ZINC000849266476 588468280 /nfs/dbraw/zinc/46/82/80/588468280.db2.gz MNSOWFJIGYNHGM-SSDOTTSWSA-N 1 0 230.337 -1.099 20 0 BAADRO C[NH+](C)CCNC(=S)N[C@H]1CCNC1=O ZINC000849266477 588468074 /nfs/dbraw/zinc/46/80/74/588468074.db2.gz MNSOWFJIGYNHGM-ZETCQYMHSA-N 1 0 230.337 -1.099 20 0 BAADRO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000851642339 588612949 /nfs/dbraw/zinc/61/29/49/588612949.db2.gz YDLPHDWDPJKZML-CWKFCGSDSA-N 1 0 248.304 -1.738 20 0 BAADRO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000851642340 588612735 /nfs/dbraw/zinc/61/27/35/588612735.db2.gz YDLPHDWDPJKZML-KVPKETBZSA-N 1 0 248.304 -1.738 20 0 BAADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000851642341 588612990 /nfs/dbraw/zinc/61/29/90/588612990.db2.gz YDLPHDWDPJKZML-ULAWRXDQSA-N 1 0 248.304 -1.738 20 0 BAADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000851642342 588612687 /nfs/dbraw/zinc/61/26/87/588612687.db2.gz YDLPHDWDPJKZML-VGRMVHKJSA-N 1 0 248.304 -1.738 20 0 BAADRO COC(=O)N(C)CCNC(=O)NCC[NH3+] ZINC000851661470 588613689 /nfs/dbraw/zinc/61/36/89/588613689.db2.gz KFLBSPALPMDVJK-UHFFFAOYSA-N 1 0 218.257 -1.058 20 0 BAADRO CO[C@H](C)CNC(=O)N(CC[NH3+])CCO ZINC000851671315 588614520 /nfs/dbraw/zinc/61/45/20/588614520.db2.gz KXYURIBMUIKZED-MRVPVSSYSA-N 1 0 219.285 -1.016 20 0 BAADRO CO[C@@H](C)CNC(=O)N(CC[NH3+])CCO ZINC000851671316 588614464 /nfs/dbraw/zinc/61/44/64/588614464.db2.gz KXYURIBMUIKZED-QMMMGPOBSA-N 1 0 219.285 -1.016 20 0 BAADRO CN1CCN(CCS(N)(=O)=O)CCC1=O ZINC000852580543 588691642 /nfs/dbraw/zinc/69/16/42/588691642.db2.gz NYGZZIIDZZKLCO-UHFFFAOYSA-N 1 0 235.309 -1.561 20 0 BAADRO COC[C@@H](CN(CC[NH3+])CCO)OC ZINC000852747096 588699114 /nfs/dbraw/zinc/69/91/14/588699114.db2.gz XJTMNCNCLZHMIE-SECBINFHSA-N 1 0 206.286 -1.099 20 0 BAADRO COC[C@H](CN(CC[NH3+])CCO)OC ZINC000852747097 588699132 /nfs/dbraw/zinc/69/91/32/588699132.db2.gz XJTMNCNCLZHMIE-VIFPVBQESA-N 1 0 206.286 -1.099 20 0 BAADRO COC(=O)[C@@H]1COCCN1C[C@@H]1C[NH2+]CCO1 ZINC000852749637 588698601 /nfs/dbraw/zinc/69/86/01/588698601.db2.gz BBZULBMGCLIEHV-UWVGGRQHSA-N 1 0 244.291 -1.151 20 0 BAADRO COC(=O)[C@H]1COCCN1C[C@@H]1C[NH2+]CCO1 ZINC000852749641 588698700 /nfs/dbraw/zinc/69/87/00/588698700.db2.gz BBZULBMGCLIEHV-VHSXEESVSA-N 1 0 244.291 -1.151 20 0 BAADRO COC(=O)[C@@H]1COCCN1C[C@H]1C[NH2+]CCO1 ZINC000852749643 588698421 /nfs/dbraw/zinc/69/84/21/588698421.db2.gz BBZULBMGCLIEHV-ZJUUUORDSA-N 1 0 244.291 -1.151 20 0 BAADRO CCCOC(=O)[C@@H](C)N(CC[NH3+])C[C@@H](O)CO ZINC000852753214 645488988 /nfs/dbraw/zinc/48/89/88/645488988.db2.gz CCUASNGAISRDIW-NXEZZACHSA-N 1 0 248.323 -1.058 20 0 BAADRO CCCOC(=O)[C@H](C)N(CC[NH3+])C[C@H](O)CO ZINC000852753215 645488636 /nfs/dbraw/zinc/48/86/36/645488636.db2.gz CCUASNGAISRDIW-UWVGGRQHSA-N 1 0 248.323 -1.058 20 0 BAADRO CCCOC(=O)[C@H](C)N(CC[NH3+])C[C@@H](O)CO ZINC000852753216 645488220 /nfs/dbraw/zinc/48/82/20/645488220.db2.gz CCUASNGAISRDIW-VHSXEESVSA-N 1 0 248.323 -1.058 20 0 BAADRO CCCOC(=O)[C@@H](C)N(CC[NH3+])C[C@H](O)CO ZINC000852753217 645488738 /nfs/dbraw/zinc/48/87/38/645488738.db2.gz CCUASNGAISRDIW-ZJUUUORDSA-N 1 0 248.323 -1.058 20 0 BAADRO [NH3+]CCN(CCOC(F)F)C[C@@H](O)CO ZINC000852753622 645488279 /nfs/dbraw/zinc/48/82/79/645488279.db2.gz PVCXCUOVSBGSFX-SSDOTTSWSA-N 1 0 228.239 -1.161 20 0 BAADRO [NH3+]CCN(CCOC(F)F)C[C@H](O)CO ZINC000852753626 645488270 /nfs/dbraw/zinc/48/82/70/645488270.db2.gz PVCXCUOVSBGSFX-ZETCQYMHSA-N 1 0 228.239 -1.161 20 0 BAADRO [NH3+]CCN(CCN1CCOC1=O)C[C@@H](O)CO ZINC000852754268 588700738 /nfs/dbraw/zinc/70/07/38/588700738.db2.gz RUNLOFBURKWQQT-SECBINFHSA-N 1 0 247.295 -1.948 20 0 BAADRO [NH3+]CCN(CCN1CCOC1=O)C[C@H](O)CO ZINC000852754269 588700436 /nfs/dbraw/zinc/70/04/36/588700436.db2.gz RUNLOFBURKWQQT-VIFPVBQESA-N 1 0 247.295 -1.948 20 0 BAADRO COCCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852801184 588704151 /nfs/dbraw/zinc/70/41/51/588704151.db2.gz WKHOPUFSHWOZTN-LURJTMIESA-N 1 0 201.226 -1.147 20 0 BAADRO COCCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852801186 588704323 /nfs/dbraw/zinc/70/43/23/588704323.db2.gz WKHOPUFSHWOZTN-ZCFIWIBFSA-N 1 0 201.226 -1.147 20 0 BAADRO [NH3+]C[C@H]1CC(C(=O)N2CCOCC2)=NO1 ZINC000852801234 588704232 /nfs/dbraw/zinc/70/42/32/588704232.db2.gz WZKRYISPAJLNMU-SSDOTTSWSA-N 1 0 213.237 -1.051 20 0 BAADRO [NH3+]C[C@@H]1CC(C(=O)N2CCOCC2)=NO1 ZINC000852801235 588704162 /nfs/dbraw/zinc/70/41/62/588704162.db2.gz WZKRYISPAJLNMU-ZETCQYMHSA-N 1 0 213.237 -1.051 20 0 BAADRO [NH3+]C[C@@H]1CC(C(=O)N2CCNC(=O)C2)=NO1 ZINC000852802398 588704736 /nfs/dbraw/zinc/70/47/36/588704736.db2.gz OKWZTTRAJAWYHQ-LURJTMIESA-N 1 0 226.236 -1.952 20 0 BAADRO [NH3+]C[C@H]1CC(C(=O)N2CCNC(=O)C2)=NO1 ZINC000852802399 588704608 /nfs/dbraw/zinc/70/46/08/588704608.db2.gz OKWZTTRAJAWYHQ-ZCFIWIBFSA-N 1 0 226.236 -1.952 20 0 BAADRO CCCNC(=O)CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852803022 588704532 /nfs/dbraw/zinc/70/45/32/588704532.db2.gz BKBSJBDTIIZGOG-SSDOTTSWSA-N 1 0 242.279 -1.268 20 0 BAADRO CCCNC(=O)CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852803032 588704543 /nfs/dbraw/zinc/70/45/43/588704543.db2.gz BKBSJBDTIIZGOG-ZETCQYMHSA-N 1 0 242.279 -1.268 20 0 BAADRO CN(C)C(=O)CN(C)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852804111 588704598 /nfs/dbraw/zinc/70/45/98/588704598.db2.gz IWBSEXAWUYPZKA-SSDOTTSWSA-N 1 0 242.279 -1.363 20 0 BAADRO CN(C)C(=O)CN(C)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852804115 588704444 /nfs/dbraw/zinc/70/44/44/588704444.db2.gz IWBSEXAWUYPZKA-ZETCQYMHSA-N 1 0 242.279 -1.363 20 0 BAADRO CC(C)NC(=O)CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852804872 588704573 /nfs/dbraw/zinc/70/45/73/588704573.db2.gz IOOQADZCONIAPW-SSDOTTSWSA-N 1 0 242.279 -1.269 20 0 BAADRO CC(C)NC(=O)CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852804878 588704441 /nfs/dbraw/zinc/70/44/41/588704441.db2.gz IOOQADZCONIAPW-ZETCQYMHSA-N 1 0 242.279 -1.269 20 0 BAADRO CCNC(=O)[C@H](C)NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852805339 588704465 /nfs/dbraw/zinc/70/44/65/588704465.db2.gz WYFZCAHZUOFDGT-BQBZGAKWSA-N 1 0 242.279 -1.269 20 0 BAADRO CCNC(=O)[C@H](C)NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852805340 588704686 /nfs/dbraw/zinc/70/46/86/588704686.db2.gz WYFZCAHZUOFDGT-NKWVEPMBSA-N 1 0 242.279 -1.269 20 0 BAADRO CCNC(=O)[C@@H](C)NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852805341 588704538 /nfs/dbraw/zinc/70/45/38/588704538.db2.gz WYFZCAHZUOFDGT-RNFRBKRXSA-N 1 0 242.279 -1.269 20 0 BAADRO CCNC(=O)[C@@H](C)NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852805342 588704554 /nfs/dbraw/zinc/70/45/54/588704554.db2.gz WYFZCAHZUOFDGT-RQJHMYQMSA-N 1 0 242.279 -1.269 20 0 BAADRO CCOC(=O)CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852808210 588704953 /nfs/dbraw/zinc/70/49/53/588704953.db2.gz NMACIRDUVWOIOA-LURJTMIESA-N 1 0 229.236 -1.231 20 0 BAADRO CCOC(=O)CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852808211 588704852 /nfs/dbraw/zinc/70/48/52/588704852.db2.gz NMACIRDUVWOIOA-ZCFIWIBFSA-N 1 0 229.236 -1.231 20 0 BAADRO CCN(CC(=O)NC)C(=O)C1(O)C[NH2+]C1 ZINC000852810971 588705037 /nfs/dbraw/zinc/70/50/37/588705037.db2.gz FGNVFGXYDZHMJD-UHFFFAOYSA-N 1 0 215.253 -2.085 20 0 BAADRO CCN(CC(=O)NC)C(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000852812181 588705312 /nfs/dbraw/zinc/70/53/12/588705312.db2.gz PDFKCGRKOTVEIV-BDAKNGLRSA-N 1 0 243.307 -1.055 20 0 BAADRO CCN(CC(=O)NC)C(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000852812182 588705110 /nfs/dbraw/zinc/70/51/10/588705110.db2.gz PDFKCGRKOTVEIV-DTWKUNHWSA-N 1 0 243.307 -1.055 20 0 BAADRO CCN(CC(=O)NC)C(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000852812183 588705298 /nfs/dbraw/zinc/70/52/98/588705298.db2.gz PDFKCGRKOTVEIV-IUCAKERBSA-N 1 0 243.307 -1.055 20 0 BAADRO CCN(CC(=O)NC)C(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000852812184 588705200 /nfs/dbraw/zinc/70/52/00/588705200.db2.gz PDFKCGRKOTVEIV-RKDXNWHRSA-N 1 0 243.307 -1.055 20 0 BAADRO CN(CCS(C)(=O)=O)C(=O)C1(O)C[NH2+]C1 ZINC000852812599 588705088 /nfs/dbraw/zinc/70/50/88/588705088.db2.gz APVWEJNLYRXCEZ-UHFFFAOYSA-N 1 0 236.293 -2.176 20 0 BAADRO COC(=O)CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852812774 588705270 /nfs/dbraw/zinc/70/52/70/588705270.db2.gz FZRSCXQZXXHYFG-RXMQYKEDSA-N 1 0 215.209 -1.621 20 0 BAADRO COC(=O)CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852812776 588705069 /nfs/dbraw/zinc/70/50/69/588705069.db2.gz FZRSCXQZXXHYFG-YFKPBYRVSA-N 1 0 215.209 -1.621 20 0 BAADRO COC(=O)[C@H](C)NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852813440 588705223 /nfs/dbraw/zinc/70/52/23/588705223.db2.gz MRZNFWZZVXYYAK-NTSWFWBYSA-N 1 0 229.236 -1.232 20 0 BAADRO COC(=O)[C@@H](C)NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852813442 588705150 /nfs/dbraw/zinc/70/51/50/588705150.db2.gz MRZNFWZZVXYYAK-PHDIDXHHSA-N 1 0 229.236 -1.232 20 0 BAADRO COC(=O)[C@@H](C)NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852813443 588705317 /nfs/dbraw/zinc/70/53/17/588705317.db2.gz MRZNFWZZVXYYAK-RITPCOANSA-N 1 0 229.236 -1.232 20 0 BAADRO COC(=O)[C@H](C)NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852813444 588705247 /nfs/dbraw/zinc/70/52/47/588705247.db2.gz MRZNFWZZVXYYAK-WDSKDSINSA-N 1 0 229.236 -1.232 20 0 BAADRO COC(=O)CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852813756 588705279 /nfs/dbraw/zinc/70/52/79/588705279.db2.gz OVTIPDBCRNONBI-LURJTMIESA-N 1 0 229.236 -1.231 20 0 BAADRO COC(=O)CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852813757 588705104 /nfs/dbraw/zinc/70/51/04/588705104.db2.gz OVTIPDBCRNONBI-ZCFIWIBFSA-N 1 0 229.236 -1.231 20 0 BAADRO CN(C)C(=O)CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852816116 588704806 /nfs/dbraw/zinc/70/48/06/588704806.db2.gz JYQZHANHHLHABF-SSDOTTSWSA-N 1 0 242.279 -1.316 20 0 BAADRO CN(C)C(=O)CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852816117 588704973 /nfs/dbraw/zinc/70/49/73/588704973.db2.gz JYQZHANHHLHABF-ZETCQYMHSA-N 1 0 242.279 -1.316 20 0 BAADRO COCCOCCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852816333 588705459 /nfs/dbraw/zinc/70/54/59/588705459.db2.gz QNAVVMWPGSIIRQ-MRVPVSSYSA-N 1 0 245.279 -1.131 20 0 BAADRO COCCOCCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852816334 588705545 /nfs/dbraw/zinc/70/55/45/588705545.db2.gz QNAVVMWPGSIIRQ-QMMMGPOBSA-N 1 0 245.279 -1.131 20 0 BAADRO CC(C)OC(=O)CNC(=O)C1(O)C[NH2+]C1 ZINC000852816634 588705457 /nfs/dbraw/zinc/70/54/57/588705457.db2.gz AUCRGSLUYOROHA-UHFFFAOYSA-N 1 0 216.237 -1.612 20 0 BAADRO CC(C)(CNC(=O)C1=NO[C@H](C[NH3+])C1)C(N)=O ZINC000852816682 588705549 /nfs/dbraw/zinc/70/55/49/588705549.db2.gz CHFCHOQMYDVFGG-LURJTMIESA-N 1 0 242.279 -1.282 20 0 BAADRO CC(C)(CNC(=O)C1=NO[C@@H](C[NH3+])C1)C(N)=O ZINC000852816683 588705449 /nfs/dbraw/zinc/70/54/49/588705449.db2.gz CHFCHOQMYDVFGG-ZCFIWIBFSA-N 1 0 242.279 -1.282 20 0 BAADRO CCNC(=O)CN(C)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852818561 588705603 /nfs/dbraw/zinc/70/56/03/588705603.db2.gz WZGYSGCRWSRNHB-SSDOTTSWSA-N 1 0 242.279 -1.316 20 0 BAADRO CCNC(=O)CN(C)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852818562 588705551 /nfs/dbraw/zinc/70/55/51/588705551.db2.gz WZGYSGCRWSRNHB-ZETCQYMHSA-N 1 0 242.279 -1.316 20 0 BAADRO CCOC(=O)[C@H](C)NC(=O)C1(O)C[NH2+]C1 ZINC000852821111 588705690 /nfs/dbraw/zinc/70/56/90/588705690.db2.gz GVNKQXNOSODKOF-LURJTMIESA-N 1 0 216.237 -1.612 20 0 BAADRO CCOC(=O)[C@@H](C)NC(=O)C1(O)C[NH2+]C1 ZINC000852821113 588705640 /nfs/dbraw/zinc/70/56/40/588705640.db2.gz GVNKQXNOSODKOF-ZCFIWIBFSA-N 1 0 216.237 -1.612 20 0 BAADRO CCN(CC)C(=O)CNC(=O)C1(O)C[NH2+]C1 ZINC000852822263 588705810 /nfs/dbraw/zinc/70/58/10/588705810.db2.gz NBFALVSPTNIUMI-UHFFFAOYSA-N 1 0 229.280 -1.695 20 0 BAADRO C[C@H]1C(=O)NCCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852825134 588705943 /nfs/dbraw/zinc/70/59/43/588705943.db2.gz GZPGFKZLXFNICX-BQBZGAKWSA-N 1 0 240.263 -1.563 20 0 BAADRO C[C@H]1C(=O)NCCN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852825142 588706130 /nfs/dbraw/zinc/70/61/30/588706130.db2.gz GZPGFKZLXFNICX-NKWVEPMBSA-N 1 0 240.263 -1.563 20 0 BAADRO C[C@@H]1C(=O)NCCN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852825144 588706143 /nfs/dbraw/zinc/70/61/43/588706143.db2.gz GZPGFKZLXFNICX-RNFRBKRXSA-N 1 0 240.263 -1.563 20 0 BAADRO C[C@@H]1C(=O)NCCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852825146 583019501 /nfs/dbraw/zinc/01/95/01/583019501.db2.gz GZPGFKZLXFNICX-RQJHMYQMSA-N 1 0 240.263 -1.563 20 0 BAADRO CN1C[C@@H](NC(=O)C2=NO[C@H](C[NH3+])C2)CC1=O ZINC000852826776 588706137 /nfs/dbraw/zinc/70/61/37/588706137.db2.gz XZFOYACDMFRANM-BQBZGAKWSA-N 1 0 240.263 -1.563 20 0 BAADRO CN1C[C@@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)CC1=O ZINC000852826777 588706008 /nfs/dbraw/zinc/70/60/08/588706008.db2.gz XZFOYACDMFRANM-NKWVEPMBSA-N 1 0 240.263 -1.563 20 0 BAADRO CN1C[C@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)CC1=O ZINC000852826778 588706047 /nfs/dbraw/zinc/70/60/47/588706047.db2.gz XZFOYACDMFRANM-RNFRBKRXSA-N 1 0 240.263 -1.563 20 0 BAADRO CN1C[C@H](NC(=O)C2=NO[C@H](C[NH3+])C2)CC1=O ZINC000852826779 588706171 /nfs/dbraw/zinc/70/61/71/588706171.db2.gz XZFOYACDMFRANM-RQJHMYQMSA-N 1 0 240.263 -1.563 20 0 BAADRO O=C(NCCCN1CCOC1=O)C1(O)C[NH2+]C1 ZINC000852830436 588705856 /nfs/dbraw/zinc/70/58/56/588705856.db2.gz VUJYEMRLUSNQQX-UHFFFAOYSA-N 1 0 243.263 -1.721 20 0 BAADRO CCCCOC(=O)CNC(=O)C1(O)C[NH2+]C1 ZINC000852835008 588706940 /nfs/dbraw/zinc/70/69/40/588706940.db2.gz HENIHZIYONRGFO-UHFFFAOYSA-N 1 0 230.264 -1.220 20 0 BAADRO O=C(N[C@H]1CCNC1=O)[C@@]1(F)CC[NH2+]C1 ZINC000852836749 588707192 /nfs/dbraw/zinc/70/71/92/588707192.db2.gz INZKRAFAMHJZET-IMTBSYHQSA-N 1 0 215.228 -1.307 20 0 BAADRO O=C(N[C@H]1CCNC1=O)[C@]1(F)CC[NH2+]C1 ZINC000852836751 588707053 /nfs/dbraw/zinc/70/70/53/588707053.db2.gz INZKRAFAMHJZET-RCOVLWMOSA-N 1 0 215.228 -1.307 20 0 BAADRO CCCOC(=O)CCNC(=O)C1(O)C[NH2+]C1 ZINC000852837478 583020313 /nfs/dbraw/zinc/02/03/13/583020313.db2.gz WKYCIZNFPRPGFP-UHFFFAOYSA-N 1 0 230.264 -1.220 20 0 BAADRO [NH3+]C[C@H]1CC(C(=O)NCC2(CO)CC2)=NO1 ZINC000852838648 588707005 /nfs/dbraw/zinc/70/70/05/588707005.db2.gz MBACWTBLUYIHHA-SSDOTTSWSA-N 1 0 227.264 -1.021 20 0 BAADRO [NH3+]C[C@@H]1CC(C(=O)NCC2(CO)CC2)=NO1 ZINC000852838649 588707115 /nfs/dbraw/zinc/70/71/15/588707115.db2.gz MBACWTBLUYIHHA-ZETCQYMHSA-N 1 0 227.264 -1.021 20 0 BAADRO CN1CC[C@H](NC(=O)C2=NO[C@H](C[NH3+])C2)C1=O ZINC000852838852 588707291 /nfs/dbraw/zinc/70/72/91/588707291.db2.gz QGHRVWULEVBNIZ-BQBZGAKWSA-N 1 0 240.263 -1.563 20 0 BAADRO CN1CC[C@@H](NC(=O)C2=NO[C@H](C[NH3+])C2)C1=O ZINC000852838853 588707147 /nfs/dbraw/zinc/70/71/47/588707147.db2.gz QGHRVWULEVBNIZ-NKWVEPMBSA-N 1 0 240.263 -1.563 20 0 BAADRO CN1CC[C@@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)C1=O ZINC000852838854 588707285 /nfs/dbraw/zinc/70/72/85/588707285.db2.gz QGHRVWULEVBNIZ-RNFRBKRXSA-N 1 0 240.263 -1.563 20 0 BAADRO CN1CC[C@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)C1=O ZINC000852838855 588707197 /nfs/dbraw/zinc/70/71/97/588707197.db2.gz QGHRVWULEVBNIZ-RQJHMYQMSA-N 1 0 240.263 -1.563 20 0 BAADRO CN1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1=O ZINC000852841026 588707387 /nfs/dbraw/zinc/70/73/87/588707387.db2.gz AJGUMNOHFYZDLI-SSDOTTSWSA-N 1 0 240.263 -1.609 20 0 BAADRO CN1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1=O ZINC000852841032 588707504 /nfs/dbraw/zinc/70/75/04/588707504.db2.gz AJGUMNOHFYZDLI-ZETCQYMHSA-N 1 0 240.263 -1.609 20 0 BAADRO CO[C@@H]1CCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000852843056 588707822 /nfs/dbraw/zinc/70/78/22/588707822.db2.gz OOHUPVQBLLZYEA-SSDOTTSWSA-N 1 0 200.238 -1.432 20 0 BAADRO CC(C)C[C@@H](O)CNC(=O)C1(O)C[NH2+]C1 ZINC000852845176 588707724 /nfs/dbraw/zinc/70/77/24/588707724.db2.gz RYUPVZQPCVOQPJ-MRVPVSSYSA-N 1 0 216.281 -1.156 20 0 BAADRO CC(C)C[C@H](O)CNC(=O)C1(O)C[NH2+]C1 ZINC000852845177 588706452 /nfs/dbraw/zinc/70/64/52/588706452.db2.gz RYUPVZQPCVOQPJ-QMMMGPOBSA-N 1 0 216.281 -1.156 20 0 BAADRO C[C@@H](NC(=O)C1=NO[C@@H](C[NH3+])C1)C(=O)N(C)C ZINC000852849177 588707881 /nfs/dbraw/zinc/70/78/81/588707881.db2.gz YTAKIDSWCVVKHX-RNFRBKRXSA-N 1 0 242.279 -1.317 20 0 BAADRO C[C@@H](NC(=O)C1=NO[C@H](C[NH3+])C1)C(=O)N(C)C ZINC000852849178 588708038 /nfs/dbraw/zinc/70/80/38/588708038.db2.gz YTAKIDSWCVVKHX-RQJHMYQMSA-N 1 0 242.279 -1.317 20 0 BAADRO CN1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852873805 588709918 /nfs/dbraw/zinc/70/99/18/588709918.db2.gz DMPTVHAZKFKPJB-MRVPVSSYSA-N 1 0 226.280 -1.136 20 0 BAADRO CN1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852873809 588709853 /nfs/dbraw/zinc/70/98/53/588709853.db2.gz DMPTVHAZKFKPJB-QMMMGPOBSA-N 1 0 226.280 -1.136 20 0 BAADRO C[NH2+]CCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC000852873974 588709789 /nfs/dbraw/zinc/70/97/89/588709789.db2.gz GCCZNTLQUCANKF-SSDOTTSWSA-N 1 0 214.269 -1.312 20 0 BAADRO C[NH2+]CCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC000852873979 588709719 /nfs/dbraw/zinc/70/97/19/588709719.db2.gz GCCZNTLQUCANKF-ZETCQYMHSA-N 1 0 214.269 -1.312 20 0 BAADRO C[C@H](CC[NH3+])NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852874285 588709128 /nfs/dbraw/zinc/70/91/28/588709128.db2.gz JUMFGSWNRMETHQ-RNFRBKRXSA-N 1 0 214.269 -1.057 20 0 BAADRO C[C@H](CC[NH3+])NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852874286 588709193 /nfs/dbraw/zinc/70/91/93/588709193.db2.gz JUMFGSWNRMETHQ-RQJHMYQMSA-N 1 0 214.269 -1.057 20 0 BAADRO C[C@H](C[NH3+])CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852874324 588709274 /nfs/dbraw/zinc/70/92/74/588709274.db2.gz OEJOMCMAQYUDSM-RNFRBKRXSA-N 1 0 214.269 -1.199 20 0 BAADRO C[C@H](C[NH3+])CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852874325 588709320 /nfs/dbraw/zinc/70/93/20/588709320.db2.gz OEJOMCMAQYUDSM-RQJHMYQMSA-N 1 0 214.269 -1.199 20 0 BAADRO C[NH2+]CCN(C)C(=O)C1(n2cnnn2)CC1 ZINC000852875094 588710116 /nfs/dbraw/zinc/71/01/16/588710116.db2.gz SMJLZISKZUJEPG-UHFFFAOYSA-N 1 0 224.268 -1.160 20 0 BAADRO NCC(F)(F)CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852876871 588710551 /nfs/dbraw/zinc/71/05/51/588710551.db2.gz VVAISVXMBHVVLI-RXMQYKEDSA-N 1 0 236.222 -1.200 20 0 BAADRO NCC(F)(F)CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852876872 588710520 /nfs/dbraw/zinc/71/05/20/588710520.db2.gz VVAISVXMBHVVLI-YFKPBYRVSA-N 1 0 236.222 -1.200 20 0 BAADRO C[C@@H](C[NH3+])NC(=O)C1(n2cnnn2)CC1 ZINC000852877622 588710565 /nfs/dbraw/zinc/71/05/65/588710565.db2.gz CFVHOODTPXYIHS-LURJTMIESA-N 1 0 210.241 -1.374 20 0 BAADRO C[C@@H](C[NH3+])NC(=O)[C@H]1CN(C)C(=O)N1 ZINC000852878071 588710456 /nfs/dbraw/zinc/71/04/56/588710456.db2.gz GSGPTSDZVADOQT-NTSWFWBYSA-N 1 0 200.242 -1.527 20 0 BAADRO C[C@@H](C[NH3+])NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000852878072 588710291 /nfs/dbraw/zinc/71/02/91/588710291.db2.gz GSGPTSDZVADOQT-WDSKDSINSA-N 1 0 200.242 -1.527 20 0 BAADRO CN1C[C@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)NC1=O ZINC000852882425 588711357 /nfs/dbraw/zinc/71/13/57/588711357.db2.gz GSBPSPJNOHUJFQ-HLTSFMKQSA-N 1 0 238.291 -1.170 20 0 BAADRO CN1C[C@@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)NC1=O ZINC000852882426 588711166 /nfs/dbraw/zinc/71/11/66/588711166.db2.gz GSBPSPJNOHUJFQ-VGMNWLOBSA-N 1 0 238.291 -1.170 20 0 BAADRO CCN(CC(=O)OC)C(=O)C1(O)C[NH2+]C1 ZINC000852885440 588711399 /nfs/dbraw/zinc/71/13/99/588711399.db2.gz QBWIEDIBYGQFEN-UHFFFAOYSA-N 1 0 216.237 -1.658 20 0 BAADRO [NH3+]C[C@@H]1CC(C(=O)N[C@H]2CCOC2)=NO1 ZINC000852885495 588711563 /nfs/dbraw/zinc/71/15/63/588711563.db2.gz WNEFSISFIYDMTI-BQBZGAKWSA-N 1 0 213.237 -1.005 20 0 BAADRO [NH3+]C[C@H]1CC(C(=O)N[C@H]2CCOC2)=NO1 ZINC000852885496 588711647 /nfs/dbraw/zinc/71/16/47/588711647.db2.gz WNEFSISFIYDMTI-NKWVEPMBSA-N 1 0 213.237 -1.005 20 0 BAADRO [NH3+]C[C@H]1CC(C(=O)N[C@@H]2CCOC2)=NO1 ZINC000852885497 588711476 /nfs/dbraw/zinc/71/14/76/588711476.db2.gz WNEFSISFIYDMTI-RNFRBKRXSA-N 1 0 213.237 -1.005 20 0 BAADRO [NH3+]C[C@@H]1CC(C(=O)N[C@@H]2CCOC2)=NO1 ZINC000852885498 588711481 /nfs/dbraw/zinc/71/14/81/588711481.db2.gz WNEFSISFIYDMTI-RQJHMYQMSA-N 1 0 213.237 -1.005 20 0 BAADRO C[C@H](NC(=O)C1=NO[C@H](C[NH3+])C1)C(=O)N(C)C ZINC000852886879 588711463 /nfs/dbraw/zinc/71/14/63/588711463.db2.gz YTAKIDSWCVVKHX-BQBZGAKWSA-N 1 0 242.279 -1.317 20 0 BAADRO C[C@H](NC(=O)C1=NO[C@@H](C[NH3+])C1)C(=O)N(C)C ZINC000852886880 588711472 /nfs/dbraw/zinc/71/14/72/588711472.db2.gz YTAKIDSWCVVKHX-NKWVEPMBSA-N 1 0 242.279 -1.317 20 0 BAADRO CCN(C)C(=O)CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852888191 588711449 /nfs/dbraw/zinc/71/14/49/588711449.db2.gz USZGLLCUFPQQTA-SSDOTTSWSA-N 1 0 242.279 -1.316 20 0 BAADRO CCN(C)C(=O)CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852888192 588711654 /nfs/dbraw/zinc/71/16/54/588711654.db2.gz USZGLLCUFPQQTA-ZETCQYMHSA-N 1 0 242.279 -1.316 20 0 BAADRO CC(C)(CC(N)=O)NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852893767 588711888 /nfs/dbraw/zinc/71/18/88/588711888.db2.gz JQXMRVNYVFRHQV-LURJTMIESA-N 1 0 242.279 -1.140 20 0 BAADRO CC(C)(CC(N)=O)NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852893768 588711734 /nfs/dbraw/zinc/71/17/34/588711734.db2.gz JQXMRVNYVFRHQV-ZCFIWIBFSA-N 1 0 242.279 -1.140 20 0 BAADRO CCn1nc(C)c(CNC(=O)C2(O)C[NH2+]C2)n1 ZINC000852894031 588711778 /nfs/dbraw/zinc/71/17/78/588711778.db2.gz SLNCYDLGJSJEKL-UHFFFAOYSA-N 1 0 239.279 -1.443 20 0 BAADRO C[C@](O)(CNC(=O)C1(O)C[NH2+]C1)c1ccco1 ZINC000852895778 588712028 /nfs/dbraw/zinc/71/20/28/588712028.db2.gz JAXFLUIUWQFLRP-JTQLQIEISA-N 1 0 240.259 -1.062 20 0 BAADRO C[C@@](O)(CNC(=O)C1(O)C[NH2+]C1)c1ccco1 ZINC000852895779 588712090 /nfs/dbraw/zinc/71/20/90/588712090.db2.gz JAXFLUIUWQFLRP-SNVBAGLBSA-N 1 0 240.259 -1.062 20 0 BAADRO COC(=O)[C@@]1(F)CCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000852897035 588712118 /nfs/dbraw/zinc/71/21/18/588712118.db2.gz FNDGDYHHPSMLDJ-SECBINFHSA-N 1 0 246.238 -1.566 20 0 BAADRO COC(=O)[C@]1(F)CCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000852897036 588712087 /nfs/dbraw/zinc/71/20/87/588712087.db2.gz FNDGDYHHPSMLDJ-VIFPVBQESA-N 1 0 246.238 -1.566 20 0 BAADRO COCCN(CCF)C(=O)C1(O)C[NH2+]C1 ZINC000852905425 588712563 /nfs/dbraw/zinc/71/25/63/588712563.db2.gz TWUAOWAQJZUQNE-UHFFFAOYSA-N 1 0 220.244 -1.235 20 0 BAADRO CN(C)C(=O)OCCNC(=O)C1(O)C[NH2+]C1 ZINC000852908637 588712731 /nfs/dbraw/zinc/71/27/31/588712731.db2.gz YMJIHZCMUKLVON-UHFFFAOYSA-N 1 0 231.252 -1.865 20 0 BAADRO COC(=O)N(C)CCN(C)C(=O)C1(O)C[NH2+]C1 ZINC000852910478 588712722 /nfs/dbraw/zinc/71/27/22/588712722.db2.gz WAAHQVRXAIJIFH-UHFFFAOYSA-N 1 0 245.279 -1.523 20 0 BAADRO COC(=O)N(C)CCNC(=O)C1(O)C[NH2+]C1 ZINC000852913336 588713114 /nfs/dbraw/zinc/71/31/14/588713114.db2.gz ZJKSVZFCXYMUPC-UHFFFAOYSA-N 1 0 231.252 -1.865 20 0 BAADRO C[C@@H](C[NH3+])Nc1cc(=O)n(C)c(=O)n1C ZINC000853015622 588715691 /nfs/dbraw/zinc/71/56/91/588715691.db2.gz AMPIJHCWORLWKV-LURJTMIESA-N 1 0 212.253 -1.157 20 0 BAADRO COC(=O)N(C)CC[NH2+]CCC(=O)NC(N)=O ZINC000853118690 588721836 /nfs/dbraw/zinc/72/18/36/588721836.db2.gz MWTVMNAQQQAWKS-UHFFFAOYSA-N 1 0 246.267 -1.141 20 0 BAADRO COC(=O)NCC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000853245089 588728641 /nfs/dbraw/zinc/72/86/41/588728641.db2.gz RQMDXRDGTSDJLX-UHFFFAOYSA-N 1 0 243.263 -1.457 20 0 BAADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+][C@H]1CCNC1=O ZINC000854213791 588779548 /nfs/dbraw/zinc/77/95/48/588779548.db2.gz CGONUZJSRZAKNA-HRDYMLBCSA-N 1 0 241.291 -1.242 20 0 BAADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@H]1CCNC1=O ZINC000854213793 588779502 /nfs/dbraw/zinc/77/95/02/588779502.db2.gz CGONUZJSRZAKNA-XHNCKOQMSA-N 1 0 241.291 -1.242 20 0 BAADRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+][C@H]1CCNC1=O ZINC000854231040 588781139 /nfs/dbraw/zinc/78/11/39/588781139.db2.gz CGONUZJSRZAKNA-CIUDSAMLSA-N 1 0 241.291 -1.242 20 0 BAADRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+][C@H]1CCNC1=O ZINC000854231041 588781104 /nfs/dbraw/zinc/78/11/04/588781104.db2.gz CGONUZJSRZAKNA-VGMNWLOBSA-N 1 0 241.291 -1.242 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)CC1OCCO1 ZINC000854463731 588788607 /nfs/dbraw/zinc/78/86/07/588788607.db2.gz FMQKISZACONSJB-MRVPVSSYSA-N 1 0 232.280 -1.212 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)CC1OCCO1 ZINC000854463732 588788613 /nfs/dbraw/zinc/78/86/13/588788613.db2.gz FMQKISZACONSJB-QMMMGPOBSA-N 1 0 232.280 -1.212 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)Cc1ncc[nH]1 ZINC000854464320 588788457 /nfs/dbraw/zinc/78/84/57/588788457.db2.gz IRYFCTFYGLKBSK-MRVPVSSYSA-N 1 0 226.280 -1.009 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)Cc1ncc[nH]1 ZINC000854464321 588788566 /nfs/dbraw/zinc/78/85/66/588788566.db2.gz IRYFCTFYGLKBSK-QMMMGPOBSA-N 1 0 226.280 -1.009 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)C1(O)CCOCC1 ZINC000854464432 588788496 /nfs/dbraw/zinc/78/84/96/588788496.db2.gz KQQRJIAPQPSQRC-SECBINFHSA-N 1 0 246.307 -1.433 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)C1(O)CCOCC1 ZINC000854464434 588788549 /nfs/dbraw/zinc/78/85/49/588788549.db2.gz KQQRJIAPQPSQRC-VIFPVBQESA-N 1 0 246.307 -1.433 20 0 BAADRO CCn1ncc(C(=O)N[C@@H](CO)C[NH+](C)C)n1 ZINC000854465942 588788502 /nfs/dbraw/zinc/78/85/02/588788502.db2.gz VBOLKLNYNJZMAT-MRVPVSSYSA-N 1 0 241.295 -1.050 20 0 BAADRO CCn1ncc(C(=O)N[C@H](CO)C[NH+](C)C)n1 ZINC000854465943 583087027 /nfs/dbraw/zinc/08/70/27/583087027.db2.gz VBOLKLNYNJZMAT-QMMMGPOBSA-N 1 0 241.295 -1.050 20 0 BAADRO C[C@@H]1OC(=O)N[C@H]1C(=O)N[C@H](CO)C[NH+](C)C ZINC000854466106 588788354 /nfs/dbraw/zinc/78/83/54/588788354.db2.gz WLMYDTXZHJWJIX-BIIVOSGPSA-N 1 0 245.279 -1.478 20 0 BAADRO C[C@@H]1OC(=O)N[C@@H]1C(=O)N[C@H](CO)C[NH+](C)C ZINC000854466107 588788520 /nfs/dbraw/zinc/78/85/20/588788520.db2.gz WLMYDTXZHJWJIX-FXQIFTODSA-N 1 0 245.279 -1.478 20 0 BAADRO C[C@@H]1OC(=O)N[C@@H]1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000854466108 588788603 /nfs/dbraw/zinc/78/86/03/588788603.db2.gz WLMYDTXZHJWJIX-RNJXMRFFSA-N 1 0 245.279 -1.478 20 0 BAADRO C[C@@H]1OC(=O)N[C@H]1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000854466109 588788430 /nfs/dbraw/zinc/78/84/30/588788430.db2.gz WLMYDTXZHJWJIX-XLPZGREQSA-N 1 0 245.279 -1.478 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1COC(=O)N1 ZINC000854466171 588788452 /nfs/dbraw/zinc/78/84/52/588788452.db2.gz XSEWZCPJHZCLTD-BQBZGAKWSA-N 1 0 231.252 -1.867 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1COC(=O)N1 ZINC000854466172 588788601 /nfs/dbraw/zinc/78/86/01/588788601.db2.gz XSEWZCPJHZCLTD-NKWVEPMBSA-N 1 0 231.252 -1.867 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@H]1COC(=O)N1 ZINC000854466173 588788350 /nfs/dbraw/zinc/78/83/50/588788350.db2.gz XSEWZCPJHZCLTD-RNFRBKRXSA-N 1 0 231.252 -1.867 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1COC(=O)N1 ZINC000854466174 588788517 /nfs/dbraw/zinc/78/85/17/588788517.db2.gz XSEWZCPJHZCLTD-RQJHMYQMSA-N 1 0 231.252 -1.867 20 0 BAADRO Cc1nonc1CC(=O)N[C@@H](CO)C[NH+](C)C ZINC000854467136 588788970 /nfs/dbraw/zinc/78/89/70/588788970.db2.gz BWJMTBDBVPDAQE-MRVPVSSYSA-N 1 0 242.279 -1.041 20 0 BAADRO Cc1nonc1CC(=O)N[C@H](CO)C[NH+](C)C ZINC000854467137 588788967 /nfs/dbraw/zinc/78/89/67/588788967.db2.gz BWJMTBDBVPDAQE-QMMMGPOBSA-N 1 0 242.279 -1.041 20 0 BAADRO C=CC(=O)NCCC(=O)N[C@@H](CO)C[NH+](C)C ZINC000854467194 588788881 /nfs/dbraw/zinc/78/88/81/588788881.db2.gz RMHBWRXYRYLPHH-SECBINFHSA-N 1 0 243.307 -1.283 20 0 BAADRO C=CC(=O)NCCC(=O)N[C@H](CO)C[NH+](C)C ZINC000854467195 588788721 /nfs/dbraw/zinc/78/87/21/588788721.db2.gz RMHBWRXYRYLPHH-VIFPVBQESA-N 1 0 243.307 -1.283 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)C[C@H]1CCC(=O)N1 ZINC000854467254 588788646 /nfs/dbraw/zinc/78/86/46/588788646.db2.gz SQFQEBYIRKFWBS-BDAKNGLRSA-N 1 0 243.307 -1.306 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)C[C@@H]1CCC(=O)N1 ZINC000854467255 588788654 /nfs/dbraw/zinc/78/86/54/588788654.db2.gz SQFQEBYIRKFWBS-DTWKUNHWSA-N 1 0 243.307 -1.306 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)C[C@@H]1CCC(=O)N1 ZINC000854467256 588788810 /nfs/dbraw/zinc/78/88/10/588788810.db2.gz SQFQEBYIRKFWBS-IUCAKERBSA-N 1 0 243.307 -1.306 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)C[C@H]1CCC(=O)N1 ZINC000854467257 588788683 /nfs/dbraw/zinc/78/86/83/588788683.db2.gz SQFQEBYIRKFWBS-RKDXNWHRSA-N 1 0 243.307 -1.306 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@H]1CCCN1C=O ZINC000854467347 588788906 /nfs/dbraw/zinc/78/89/06/588788906.db2.gz FOCFQVKYRGSIKU-NXEZZACHSA-N 1 0 243.307 -1.354 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1CCCN1C=O ZINC000854467348 588788839 /nfs/dbraw/zinc/78/88/39/588788839.db2.gz FOCFQVKYRGSIKU-UWVGGRQHSA-N 1 0 243.307 -1.354 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1CCCN1C=O ZINC000854467349 588788687 /nfs/dbraw/zinc/78/86/87/588788687.db2.gz FOCFQVKYRGSIKU-VHSXEESVSA-N 1 0 243.307 -1.354 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CCCN1C=O ZINC000854467350 588788808 /nfs/dbraw/zinc/78/88/08/588788808.db2.gz FOCFQVKYRGSIKU-ZJUUUORDSA-N 1 0 243.307 -1.354 20 0 BAADRO CNC(=O)NCCC(=O)NOCC[NH+](C)C ZINC000854944891 588817515 /nfs/dbraw/zinc/81/75/15/588817515.db2.gz AUWLLBILEDKDAH-UHFFFAOYSA-N 1 0 232.284 -1.085 20 0 BAADRO CNS(=O)(=O)CC[NH2+]C1(C(N)=O)CCCC1 ZINC000856731724 588875603 /nfs/dbraw/zinc/87/56/03/588875603.db2.gz UQZAHTXTLDEWAI-UHFFFAOYSA-N 1 0 249.336 -1.077 20 0 BAADRO CNS(=O)(=O)CC[NH2+][C@H](CO)C1CC1 ZINC000856737227 588875345 /nfs/dbraw/zinc/87/53/45/588875345.db2.gz VQJAQJBLHCKHHN-MRVPVSSYSA-N 1 0 222.310 -1.104 20 0 BAADRO CNS(=O)(=O)CC[NH2+][C@@H](CO)C1CC1 ZINC000856737228 588875440 /nfs/dbraw/zinc/87/54/40/588875440.db2.gz VQJAQJBLHCKHHN-QMMMGPOBSA-N 1 0 222.310 -1.104 20 0 BAADRO CCn1ncc(CN(CC[NH3+])C[C@H](O)CO)n1 ZINC000857086513 588886922 /nfs/dbraw/zinc/88/69/22/588886922.db2.gz LJYGBXNMUBYGQC-JTQLQIEISA-N 1 0 243.311 -1.588 20 0 BAADRO CCn1ncc(CN(CC[NH3+])C[C@@H](O)CO)n1 ZINC000857086519 588886769 /nfs/dbraw/zinc/88/67/69/588886769.db2.gz LJYGBXNMUBYGQC-SNVBAGLBSA-N 1 0 243.311 -1.588 20 0 BAADRO C[C@H]([NH3+])CCNC(=O)N[C@@H]1COC[C@H]1O ZINC000857110480 588888918 /nfs/dbraw/zinc/88/89/18/588888918.db2.gz TXNRTGAJKSHHAM-XLPZGREQSA-N 1 0 217.269 -1.217 20 0 BAADRO C[C@H]([NH3+])CCNC(=O)NC(CO)CO ZINC000857113302 588889561 /nfs/dbraw/zinc/88/95/61/588889561.db2.gz ZZAOXWNWESQOTD-LURJTMIESA-N 1 0 205.258 -1.624 20 0 BAADRO C[C@H]([NH3+])CCNC(=O)N1CCNC(=O)C1 ZINC000857115015 588890116 /nfs/dbraw/zinc/89/01/16/588890116.db2.gz FNOBXLDFWFHWHI-ZETCQYMHSA-N 1 0 214.269 -1.135 20 0 BAADRO C[NH+](C)C1CC(NC(=O)CNC(N)=O)C1 ZINC000857231461 588896915 /nfs/dbraw/zinc/89/69/15/588896915.db2.gz JMVMKLVILRHRDA-UHFFFAOYSA-N 1 0 214.269 -1.137 20 0 BAADRO C[NH+](C)CC(=O)N1CC2(C1)CNC(=O)O2 ZINC000857543293 645607589 /nfs/dbraw/zinc/60/75/89/645607589.db2.gz WIOQVUVRJCAKCM-UHFFFAOYSA-N 1 0 213.237 -1.131 20 0 BAADRO CNC(=O)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000857767527 588910528 /nfs/dbraw/zinc/91/05/28/588910528.db2.gz DMTRDTMXVWMKGW-RXMQYKEDSA-N 1 0 221.207 -1.154 20 0 BAADRO CNC(=O)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000857767528 588910520 /nfs/dbraw/zinc/91/05/20/588910520.db2.gz DMTRDTMXVWMKGW-YFKPBYRVSA-N 1 0 221.207 -1.154 20 0 BAADRO NS(=O)(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000857768092 588909962 /nfs/dbraw/zinc/90/99/62/588909962.db2.gz MLFFRFGBZIVUFN-BYPYZUCNSA-N 1 0 215.225 -1.223 20 0 BAADRO NS(=O)(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000857768093 588909986 /nfs/dbraw/zinc/90/99/86/588909986.db2.gz MLFFRFGBZIVUFN-SCSAIBSYSA-N 1 0 215.225 -1.223 20 0 BAADRO Cn1ncc(CNCC[N@@H+]2CC[C@@H](O)C2)n1 ZINC000858297468 588942881 /nfs/dbraw/zinc/94/28/81/588942881.db2.gz FWBGJFZMCQJOCE-SNVBAGLBSA-N 1 0 225.296 -1.029 20 0 BAADRO Cn1ncc(CNCC[N@@H+]2CC[C@H](O)C2)n1 ZINC000858340515 588946853 /nfs/dbraw/zinc/94/68/53/588946853.db2.gz FWBGJFZMCQJOCE-JTQLQIEISA-N 1 0 225.296 -1.029 20 0 BAADRO Nc1nc(NCCn2cncn2)nc(N)[nH+]1 ZINC000858345071 588947691 /nfs/dbraw/zinc/94/76/91/588947691.db2.gz GAGDBDQPQXDNOR-UHFFFAOYSA-N 1 0 221.228 -1.260 20 0 BAADRO Nc1nc(NC[C@@H]2COCCO2)nc(N)[nH+]1 ZINC000858358139 588948174 /nfs/dbraw/zinc/94/81/74/588948174.db2.gz AJPOSINAYAXCLG-RXMQYKEDSA-N 1 0 226.240 -1.137 20 0 BAADRO Nc1nc(NC[C@H]2COCCO2)nc(N)[nH+]1 ZINC000858358170 588948527 /nfs/dbraw/zinc/94/85/27/588948527.db2.gz AJPOSINAYAXCLG-YFKPBYRVSA-N 1 0 226.240 -1.137 20 0 BAADRO CCS(=O)(=O)CCNc1nc(N)[nH+]c(N)n1 ZINC000858388620 588950718 /nfs/dbraw/zinc/95/07/18/588950718.db2.gz UYRAKLQKMAJXQD-UHFFFAOYSA-N 1 0 246.296 -1.117 20 0 BAADRO Nc1nc(N2CCC3(C2)OCCO3)nc(N)[nH+]1 ZINC000858402561 588951331 /nfs/dbraw/zinc/95/13/31/588951331.db2.gz BTEZDWGBKUMHLK-UHFFFAOYSA-N 1 0 238.251 -1.011 20 0 BAADRO CCN(CC(=O)NC)c1nc(N)[nH+]c(N)n1 ZINC000858432041 588954210 /nfs/dbraw/zinc/95/42/10/588954210.db2.gz LAHLBOSSBVHQOW-UHFFFAOYSA-N 1 0 225.256 -1.392 20 0 BAADRO COC(=O)N1CC(Nc2nc(N)[nH+]c(N)n2)C1 ZINC000858452419 588956647 /nfs/dbraw/zinc/95/66/47/588956647.db2.gz KIEMMWBEZSQULV-UHFFFAOYSA-N 1 0 239.239 -1.102 20 0 BAADRO C[C@@H]1CN(C)C(=O)CN1c1nc(N)[nH+]c(N)n1 ZINC000858507208 588961550 /nfs/dbraw/zinc/96/15/50/588961550.db2.gz YNKKGHOLMNFOHS-RXMQYKEDSA-N 1 0 237.267 -1.297 20 0 BAADRO C[C@H]1CN(C)C(=O)CN1c1nc(N)[nH+]c(N)n1 ZINC000858507228 588961464 /nfs/dbraw/zinc/96/14/64/588961464.db2.gz YNKKGHOLMNFOHS-YFKPBYRVSA-N 1 0 237.267 -1.297 20 0 BAADRO COC[C@@H](O)CNc1nc(N)[nH+]c(N)n1 ZINC000858533123 588963327 /nfs/dbraw/zinc/96/33/27/588963327.db2.gz RCGBUKNPDSGDTB-BYPYZUCNSA-N 1 0 214.229 -1.545 20 0 BAADRO Cn1ncc(CNc2nc(N)[nH+]c(N)n2)n1 ZINC000858545088 588962829 /nfs/dbraw/zinc/96/28/29/588962829.db2.gz JMXDGSZOIRUEON-UHFFFAOYSA-N 1 0 221.228 -1.223 20 0 BAADRO Nc1nc(N[C@@H]2COC(=O)C2)nc(N)[nH+]1 ZINC000858550378 588964870 /nfs/dbraw/zinc/96/48/70/588964870.db2.gz JEUHZWSUKFZIRE-VKHMYHEASA-N 1 0 210.197 -1.237 20 0 BAADRO CON1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000858562606 588966341 /nfs/dbraw/zinc/96/63/41/588966341.db2.gz FQGGHOOVABPKNR-UHFFFAOYSA-N 1 0 225.256 -1.281 20 0 BAADRO COC(=O)NCCNc1nc(N)[nH+]c(N)n1 ZINC000858564951 588966711 /nfs/dbraw/zinc/96/67/11/588966711.db2.gz YGHNDBMESCIYFK-UHFFFAOYSA-N 1 0 227.228 -1.196 20 0 BAADRO Nc1nc(NC[C@H]2COCO2)nc(N)[nH+]1 ZINC000858567316 588966081 /nfs/dbraw/zinc/96/60/81/588966081.db2.gz BKWKJCFXIDNLOF-BYPYZUCNSA-N 1 0 212.213 -1.179 20 0 BAADRO Nc1nc(NC[C@@H]2COCO2)nc(N)[nH+]1 ZINC000858567322 588966285 /nfs/dbraw/zinc/96/62/85/588966285.db2.gz BKWKJCFXIDNLOF-SCSAIBSYSA-N 1 0 212.213 -1.179 20 0 BAADRO CON(C)C(=O)CNc1nc(N)[nH+]c(N)n1 ZINC000858573694 588967595 /nfs/dbraw/zinc/96/75/95/588967595.db2.gz KOYYWLFFEIGOFM-UHFFFAOYSA-N 1 0 227.228 -1.532 20 0 BAADRO CCN(OC)C(=O)CNc1nc(N)[nH+]c(N)n1 ZINC000858600759 588970291 /nfs/dbraw/zinc/97/02/91/588970291.db2.gz UGSUNCUHGYHCFR-UHFFFAOYSA-N 1 0 241.255 -1.142 20 0 BAADRO Nc1nc(NCCn2cnnn2)nc(N)[nH+]1 ZINC000858602900 588970458 /nfs/dbraw/zinc/97/04/58/588970458.db2.gz MDFZVVVKRDSXQY-UHFFFAOYSA-N 1 0 222.216 -1.865 20 0 BAADRO CCON(C)C(=O)CNc1nc(N)[nH+]c(N)n1 ZINC000858607042 588970501 /nfs/dbraw/zinc/97/05/01/588970501.db2.gz VHWXLNYEXPJWKM-UHFFFAOYSA-N 1 0 241.255 -1.142 20 0 BAADRO CON(C)CCNc1nc(N)[nH+]c(N)n1 ZINC000858617726 588971246 /nfs/dbraw/zinc/97/12/46/588971246.db2.gz JIOCMQOLUSNEOK-UHFFFAOYSA-N 1 0 213.245 -1.059 20 0 BAADRO CON(C)C(=O)[C@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000858835170 588978190 /nfs/dbraw/zinc/97/81/90/588978190.db2.gz WHEXRTRFFFAKNQ-BYPYZUCNSA-N 1 0 241.255 -1.144 20 0 BAADRO CON(C)C(=O)[C@@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000858844536 588978454 /nfs/dbraw/zinc/97/84/54/588978454.db2.gz WHEXRTRFFFAKNQ-SCSAIBSYSA-N 1 0 241.255 -1.144 20 0 BAADRO COCC[N@H+](C)CCNC(=O)[C@@H]1COC(=O)N1 ZINC000859114022 589003756 /nfs/dbraw/zinc/00/37/56/589003756.db2.gz AQEIQCVDDYUEOM-QMMMGPOBSA-N 1 0 245.279 -1.211 20 0 BAADRO CON(C)C(=O)CC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000859455409 589039109 /nfs/dbraw/zinc/03/91/09/589039109.db2.gz HGZSOLGTZPKLDZ-YUMQZZPRSA-N 1 0 218.253 -1.566 20 0 BAADRO C[N@H+](CCS(N)(=O)=O)[C@H]1C[C@@H](C(N)=O)C1 ZINC000859959030 589073852 /nfs/dbraw/zinc/07/38/52/589073852.db2.gz RWBGHJUSAFUCLO-KNVOCYPGSA-N 1 0 235.309 -1.529 20 0 BAADRO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860158843 589083829 /nfs/dbraw/zinc/08/38/29/589083829.db2.gz RUZWPVIMGXFSDW-FSDSQADBSA-N 1 0 241.247 -1.325 20 0 BAADRO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860158844 589083204 /nfs/dbraw/zinc/08/32/04/589083204.db2.gz RUZWPVIMGXFSDW-RRKCRQDMSA-N 1 0 241.247 -1.325 20 0 BAADRO CS(=O)(=O)NCC[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860160189 589083969 /nfs/dbraw/zinc/08/39/69/589083969.db2.gz YHVJPFHRFNIYEP-HTQZYQBOSA-N 1 0 248.304 -1.360 20 0 BAADRO O=C1OC[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]12 ZINC000860164870 589085001 /nfs/dbraw/zinc/08/50/01/589085001.db2.gz OUMAVMZKRJITKY-BIIVOSGPSA-N 1 0 238.243 -1.104 20 0 BAADRO O=C1OC[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]12 ZINC000860164871 589084803 /nfs/dbraw/zinc/08/48/03/589084803.db2.gz OUMAVMZKRJITKY-FXQIFTODSA-N 1 0 238.243 -1.104 20 0 BAADRO CNS(=O)(=O)CC[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860167064 589085400 /nfs/dbraw/zinc/08/54/00/589085400.db2.gz ADGVAUNKNJBBGJ-HTQZYQBOSA-N 1 0 248.304 -1.360 20 0 BAADRO O=C(NCC[NH+]1CCC1)[C@@H]1COC(=O)N1 ZINC000860357320 589095856 /nfs/dbraw/zinc/09/58/56/589095856.db2.gz BLQHEVINEAGTHH-ZETCQYMHSA-N 1 0 213.237 -1.083 20 0 BAADRO C[NH+](C)CCOCCNC(=O)[C@@H]1COC(=O)N1 ZINC000860631254 589110407 /nfs/dbraw/zinc/11/04/07/589110407.db2.gz QFFDCICYTSQGBQ-QMMMGPOBSA-N 1 0 245.279 -1.211 20 0 BAADRO C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC000860827422 582540684 /nfs/dbraw/zinc/54/06/84/582540684.db2.gz ZWUGTZZAPJBJJL-OIBJUYFYSA-N 1 0 243.263 -1.722 20 0 BAADRO C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC000860827423 582540487 /nfs/dbraw/zinc/54/04/87/582540487.db2.gz ZWUGTZZAPJBJJL-XVKPBYJWSA-N 1 0 243.263 -1.722 20 0 BAADRO CC[N@H+](CCO)CCNC(=O)[C@@H]1COC(=O)N1 ZINC000860894415 643351724 /nfs/dbraw/zinc/35/17/24/643351724.db2.gz TYRGAKZSGSKGNC-QMMMGPOBSA-N 1 0 245.279 -1.475 20 0 BAADRO O=C(OCC[NH+]1CCC1)[C@H]1CCS(=O)(=O)N1 ZINC000861390565 589164041 /nfs/dbraw/zinc/16/40/41/589164041.db2.gz QYEKAICHAVABNV-MRVPVSSYSA-N 1 0 248.304 -1.073 20 0 BAADRO O=C(OCC[NH+]1CCC1)[C@@H]1CCS(=O)(=O)N1 ZINC000861390567 589164289 /nfs/dbraw/zinc/16/42/89/589164289.db2.gz QYEKAICHAVABNV-QMMMGPOBSA-N 1 0 248.304 -1.073 20 0 BAADRO COCCONC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000861630028 589170948 /nfs/dbraw/zinc/17/09/48/589170948.db2.gz DHELOWWYVVTHPP-MRVPVSSYSA-N 1 0 233.268 -1.148 20 0 BAADRO COCCONC(=O)NC[C@H]1COCC[NH2+]1 ZINC000861630029 589171068 /nfs/dbraw/zinc/17/10/68/589171068.db2.gz DHELOWWYVVTHPP-QMMMGPOBSA-N 1 0 233.268 -1.148 20 0 BAADRO CON(C)C(=O)[C@H](C)NC(=O)NCC[NH3+] ZINC000861638473 589172127 /nfs/dbraw/zinc/17/21/27/589172127.db2.gz CFQWAWYQAUELAS-LURJTMIESA-N 1 0 218.257 -1.347 20 0 BAADRO CON(C)C(=O)[C@@H](C)NC(=O)NCC[NH3+] ZINC000861638474 589172228 /nfs/dbraw/zinc/17/22/28/589172228.db2.gz CFQWAWYQAUELAS-ZCFIWIBFSA-N 1 0 218.257 -1.347 20 0 BAADRO C[NH2+]CCNC(=O)N[C@H](C)C(=O)N(C)OC ZINC000861639999 589172236 /nfs/dbraw/zinc/17/22/36/589172236.db2.gz ZMVGSBDDPVFNOU-SSDOTTSWSA-N 1 0 232.284 -1.087 20 0 BAADRO C[NH2+]CCNC(=O)N[C@@H](C)C(=O)N(C)OC ZINC000861640001 589172029 /nfs/dbraw/zinc/17/20/29/589172029.db2.gz ZMVGSBDDPVFNOU-ZETCQYMHSA-N 1 0 232.284 -1.087 20 0 BAADRO CON(C)C(=O)[C@@H](C)NC(=O)NCC1C[NH2+]C1 ZINC000861641591 589172245 /nfs/dbraw/zinc/17/22/45/589172245.db2.gz NRNHKGPPBXEYQJ-SSDOTTSWSA-N 1 0 244.295 -1.087 20 0 BAADRO CON(C)C(=O)[C@H](C)NC(=O)NCC1C[NH2+]C1 ZINC000861641592 589169739 /nfs/dbraw/zinc/16/97/39/589169739.db2.gz NRNHKGPPBXEYQJ-ZETCQYMHSA-N 1 0 244.295 -1.087 20 0 BAADRO C[C@@H](C[NH3+])NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000861642740 589172479 /nfs/dbraw/zinc/17/24/79/589172479.db2.gz HBBUUYLLIHJXRN-DTWKUNHWSA-N 1 0 230.312 -1.301 20 0 BAADRO C[C@@H](C[NH3+])NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000861642741 589172541 /nfs/dbraw/zinc/17/25/41/589172541.db2.gz HBBUUYLLIHJXRN-IUCAKERBSA-N 1 0 230.312 -1.301 20 0 BAADRO C[C@@H](C[NH3+])NC(=O)NC[C@@H]1COCCN1C ZINC000861643036 589172405 /nfs/dbraw/zinc/17/24/05/589172405.db2.gz NGQBFPTUVRKHLV-DTWKUNHWSA-N 1 0 230.312 -1.037 20 0 BAADRO C[C@@H](C[NH3+])NC(=O)NC[C@H]1COCCN1C ZINC000861643037 589172560 /nfs/dbraw/zinc/17/25/60/589172560.db2.gz NGQBFPTUVRKHLV-IUCAKERBSA-N 1 0 230.312 -1.037 20 0 BAADRO C[C@@H](C[NH3+])NC(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000861643703 589172608 /nfs/dbraw/zinc/17/26/08/589172608.db2.gz YPNDBXSPLUENEU-ACZMJKKPSA-N 1 0 214.269 -1.103 20 0 BAADRO NC(=O)[C@H]1C[C@H](NC(=O)N(CC[NH3+])CCO)C1 ZINC000861671109 589174098 /nfs/dbraw/zinc/17/40/98/589174098.db2.gz DZKIPKXZAROUQZ-ZKCHVHJHSA-N 1 0 244.295 -1.787 20 0 BAADRO CON(C)C(=O)[C@H](C)NC(=O)N(C)CC[NH3+] ZINC000861698456 589174870 /nfs/dbraw/zinc/17/48/70/589174870.db2.gz FCGWYMHGYLVJRF-ZETCQYMHSA-N 1 0 232.284 -1.005 20 0 BAADRO CON(C)C(=O)[C@@H](C)NC(=O)N(C)CC[NH3+] ZINC000861698622 589174943 /nfs/dbraw/zinc/17/49/43/589174943.db2.gz FCGWYMHGYLVJRF-SSDOTTSWSA-N 1 0 232.284 -1.005 20 0 BAADRO CC(C)[C@H](NC=O)C(=O)N[C@H](CO)C[NH+](C)C ZINC000861717922 589175950 /nfs/dbraw/zinc/17/59/50/589175950.db2.gz IIWRZMGIWJJGBE-UWVGGRQHSA-N 1 0 245.323 -1.204 20 0 BAADRO CC(C)[C@H](NC=O)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000861717923 589175854 /nfs/dbraw/zinc/17/58/54/589175854.db2.gz IIWRZMGIWJJGBE-ZJUUUORDSA-N 1 0 245.323 -1.204 20 0 BAADRO C=CC(=O)N(C)CC(=O)N[C@@H](CO)C[NH+](C)C ZINC000861718612 589176140 /nfs/dbraw/zinc/17/61/40/589176140.db2.gz NOXBIJCDBAFQRC-SECBINFHSA-N 1 0 243.307 -1.331 20 0 BAADRO C=CC(=O)N(C)CC(=O)N[C@H](CO)C[NH+](C)C ZINC000861718613 589176131 /nfs/dbraw/zinc/17/61/31/589176131.db2.gz NOXBIJCDBAFQRC-VIFPVBQESA-N 1 0 243.307 -1.331 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@H]1CCOC(=O)N1 ZINC000861719238 589176018 /nfs/dbraw/zinc/17/60/18/589176018.db2.gz ZTTWLWNQOPMRKL-HTQZYQBOSA-N 1 0 245.279 -1.476 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1CCOC(=O)N1 ZINC000861719239 589176002 /nfs/dbraw/zinc/17/60/02/589176002.db2.gz ZTTWLWNQOPMRKL-JGVFFNPUSA-N 1 0 245.279 -1.476 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CCOC(=O)N1 ZINC000861719240 589176102 /nfs/dbraw/zinc/17/61/02/589176102.db2.gz ZTTWLWNQOPMRKL-SFYZADRCSA-N 1 0 245.279 -1.476 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1CCOC(=O)N1 ZINC000861719241 589175891 /nfs/dbraw/zinc/17/58/91/589175891.db2.gz ZTTWLWNQOPMRKL-YUMQZZPRSA-N 1 0 245.279 -1.476 20 0 BAADRO CCOCCNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861746219 589176595 /nfs/dbraw/zinc/17/65/95/589176595.db2.gz JAYPQBNDXRDBBS-MRVPVSSYSA-N 1 0 231.296 -1.055 20 0 BAADRO CCOCCNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861746220 589176571 /nfs/dbraw/zinc/17/65/71/589176571.db2.gz JAYPQBNDXRDBBS-QMMMGPOBSA-N 1 0 231.296 -1.055 20 0 BAADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CCOC1 ZINC000861760460 589176698 /nfs/dbraw/zinc/17/66/98/589176698.db2.gz FVHXGNPENDQVTC-HTQZYQBOSA-N 1 0 229.280 -1.303 20 0 BAADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CCOC1 ZINC000861760461 589177082 /nfs/dbraw/zinc/17/70/82/589177082.db2.gz FVHXGNPENDQVTC-JGVFFNPUSA-N 1 0 229.280 -1.303 20 0 BAADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CCOC1 ZINC000861760462 589176873 /nfs/dbraw/zinc/17/68/73/589176873.db2.gz FVHXGNPENDQVTC-SFYZADRCSA-N 1 0 229.280 -1.303 20 0 BAADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CCOC1 ZINC000861760463 589176887 /nfs/dbraw/zinc/17/68/87/589176887.db2.gz FVHXGNPENDQVTC-YUMQZZPRSA-N 1 0 229.280 -1.303 20 0 BAADRO COCCCNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861770542 589177269 /nfs/dbraw/zinc/17/72/69/589177269.db2.gz NHPBUSZFOZNBOK-MRVPVSSYSA-N 1 0 231.296 -1.055 20 0 BAADRO COCCCNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861770543 589177312 /nfs/dbraw/zinc/17/73/12/589177312.db2.gz NHPBUSZFOZNBOK-QMMMGPOBSA-N 1 0 231.296 -1.055 20 0 BAADRO C[C@@H]1COCCN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000861815216 589179341 /nfs/dbraw/zinc/17/93/41/589179341.db2.gz ODBVAXPVJWTFGX-RKDXNWHRSA-N 1 0 241.291 -1.288 20 0 BAADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H]3CC(=O)N3)C[C@H]21 ZINC000861911916 589183018 /nfs/dbraw/zinc/18/30/18/589183018.db2.gz GXWYDCOTPLAHBJ-JIOCBJNQSA-N 1 0 223.276 -1.107 20 0 BAADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC(=O)N3)C[C@H]21 ZINC000861911917 589183146 /nfs/dbraw/zinc/18/31/46/589183146.db2.gz GXWYDCOTPLAHBJ-PYHGXSLLSA-N 1 0 223.276 -1.107 20 0 BAADRO CN1CCOC[C@@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC000862969020 583973813 /nfs/dbraw/zinc/97/38/13/583973813.db2.gz HZDRWFREXVWKJR-JGVFFNPUSA-N 1 0 243.263 -1.458 20 0 BAADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)[C@@H]1COC(=O)N1 ZINC000863316752 589278930 /nfs/dbraw/zinc/27/89/30/589278930.db2.gz RXUSEGNMHGAQEE-SFYZADRCSA-N 1 0 243.263 -1.722 20 0 BAADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)[C@H]1COC(=O)N1 ZINC000863319472 589279477 /nfs/dbraw/zinc/27/94/77/589279477.db2.gz RXUSEGNMHGAQEE-HTQZYQBOSA-N 1 0 243.263 -1.722 20 0 BAADRO Cn1ncc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)n1 ZINC000863319494 589279139 /nfs/dbraw/zinc/27/91/39/589279139.db2.gz SQPVUEUHCJIGFX-MRVPVSSYSA-N 1 0 239.279 -1.389 20 0 BAADRO O=C(CC1OCCO1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000863320427 589279221 /nfs/dbraw/zinc/27/92/21/589279221.db2.gz CQHBBAFBVBJHRC-SECBINFHSA-N 1 0 244.291 -1.068 20 0 BAADRO COC(=O)NCC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000863324420 589279982 /nfs/dbraw/zinc/27/99/82/589279982.db2.gz ZGYWMMFMZUMPHN-MRVPVSSYSA-N 1 0 245.279 -1.475 20 0 BAADRO CN(C)S(=O)(=O)CCN(CC[NH3+])CCO ZINC000863540229 589296717 /nfs/dbraw/zinc/29/67/17/589296717.db2.gz COPRJUDUJVSBOF-UHFFFAOYSA-N 1 0 239.341 -1.869 20 0 BAADRO C[C@@H]([NH3+])CN(C)CC(=O)N1CCNC(=O)C1 ZINC000863566870 589299689 /nfs/dbraw/zinc/29/96/89/589299689.db2.gz RXCGPTLBSDFNPZ-MRVPVSSYSA-N 1 0 228.296 -1.776 20 0 BAADRO C[C@H]([NH3+])CN(C)CC(=O)N1CCNC(=O)C1 ZINC000863566871 589299697 /nfs/dbraw/zinc/29/96/97/589299697.db2.gz RXCGPTLBSDFNPZ-QMMMGPOBSA-N 1 0 228.296 -1.776 20 0 BAADRO COC(=O)CCNC(=O)CN(C)C[C@@H](C)[NH3+] ZINC000863567093 589299449 /nfs/dbraw/zinc/29/94/49/589299449.db2.gz BMGIZLCKISGRIC-MRVPVSSYSA-N 1 0 231.296 -1.055 20 0 BAADRO COC(=O)CCNC(=O)CN(C)C[C@H](C)[NH3+] ZINC000863567094 589299542 /nfs/dbraw/zinc/29/95/42/589299542.db2.gz BMGIZLCKISGRIC-QMMMGPOBSA-N 1 0 231.296 -1.055 20 0 BAADRO C[C@@H]([NH3+])CN(C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000863567961 589299950 /nfs/dbraw/zinc/29/99/50/589299950.db2.gz HHGKJBSDTIULRJ-BDAKNGLRSA-N 1 0 244.339 -1.142 20 0 BAADRO C[C@@H](NC(=O)CN(C)C[C@H](C)[NH3+])C(=O)N(C)C ZINC000863567963 589300297 /nfs/dbraw/zinc/30/02/97/589300297.db2.gz HHGKJBSDTIULRJ-DTWKUNHWSA-N 1 0 244.339 -1.142 20 0 BAADRO C[C@H]([NH3+])CN(C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000863567965 589300287 /nfs/dbraw/zinc/30/02/87/589300287.db2.gz HHGKJBSDTIULRJ-IUCAKERBSA-N 1 0 244.339 -1.142 20 0 BAADRO C[C@@H]([NH3+])CN(C)CC(=O)N[C@H](C)C(=O)N(C)C ZINC000863567966 589300149 /nfs/dbraw/zinc/30/01/49/589300149.db2.gz HHGKJBSDTIULRJ-RKDXNWHRSA-N 1 0 244.339 -1.142 20 0 BAADRO CON(C)C(=O)[C@@H](C)[NH2+]CCC(=O)NC(N)=O ZINC000863586543 589302400 /nfs/dbraw/zinc/30/24/00/589302400.db2.gz HRAOUFQGEDFRLK-ZCFIWIBFSA-N 1 0 246.267 -1.431 20 0 BAADRO CON(C)C(=O)[C@@H](C)[NH2+]CCC(N)=O ZINC000863586992 589300798 /nfs/dbraw/zinc/30/07/98/589300798.db2.gz QQELSMIATRRUBZ-ZCFIWIBFSA-N 1 0 203.242 -1.140 20 0 BAADRO CON(C)C(=O)[C@H](C)[NH2+]CCC(=O)NC(N)=O ZINC000863587015 589302396 /nfs/dbraw/zinc/30/23/96/589302396.db2.gz HRAOUFQGEDFRLK-LURJTMIESA-N 1 0 246.267 -1.431 20 0 BAADRO COC[C@H](O)C[NH2+][C@H](C)C(=O)N(C)OC ZINC000863587533 589302375 /nfs/dbraw/zinc/30/23/75/589302375.db2.gz YIMDHFCZEPSIIR-HTQZYQBOSA-N 1 0 220.269 -1.008 20 0 BAADRO COC[C@@H](O)C[NH2+][C@H](C)C(=O)N(C)OC ZINC000863587536 589302103 /nfs/dbraw/zinc/30/21/03/589302103.db2.gz YIMDHFCZEPSIIR-SFYZADRCSA-N 1 0 220.269 -1.008 20 0 BAADRO CON(C)C(=O)[C@H](C)[NH2+]CCC(N)=O ZINC000863587650 589302315 /nfs/dbraw/zinc/30/23/15/589302315.db2.gz QQELSMIATRRUBZ-LURJTMIESA-N 1 0 203.242 -1.140 20 0 BAADRO COC[C@H](O)C[NH2+][C@@H](C)C(=O)N(C)OC ZINC000863588017 589302112 /nfs/dbraw/zinc/30/21/12/589302112.db2.gz YIMDHFCZEPSIIR-JGVFFNPUSA-N 1 0 220.269 -1.008 20 0 BAADRO COC[C@@H](O)C[NH2+][C@@H](C)C(=O)N(C)OC ZINC000863588018 589302309 /nfs/dbraw/zinc/30/23/09/589302309.db2.gz YIMDHFCZEPSIIR-YUMQZZPRSA-N 1 0 220.269 -1.008 20 0 BAADRO C[C@@H]([NH3+])CN(C)Cc1cn(C)c(=O)n(C)c1=O ZINC000863654057 589308294 /nfs/dbraw/zinc/30/82/94/589308294.db2.gz SVXDJFFCVXOLDH-MRVPVSSYSA-N 1 0 240.307 -1.137 20 0 BAADRO C[C@H]([NH3+])CN(C)Cc1cn(C)c(=O)n(C)c1=O ZINC000863654058 589307982 /nfs/dbraw/zinc/30/79/82/589307982.db2.gz SVXDJFFCVXOLDH-QMMMGPOBSA-N 1 0 240.307 -1.137 20 0 BAADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@H](O)C1 ZINC000863748643 589314231 /nfs/dbraw/zinc/31/42/31/589314231.db2.gz FRHFTJQYXLXVFS-BDAKNGLRSA-N 1 0 243.307 -1.225 20 0 BAADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@@H](O)C1 ZINC000863748644 589314521 /nfs/dbraw/zinc/31/45/21/589314521.db2.gz FRHFTJQYXLXVFS-DTWKUNHWSA-N 1 0 243.307 -1.225 20 0 BAADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@H](O)C1 ZINC000863748645 589314489 /nfs/dbraw/zinc/31/44/89/589314489.db2.gz FRHFTJQYXLXVFS-IUCAKERBSA-N 1 0 243.307 -1.225 20 0 BAADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@@H](O)C1 ZINC000863748646 589314408 /nfs/dbraw/zinc/31/44/08/589314408.db2.gz FRHFTJQYXLXVFS-RKDXNWHRSA-N 1 0 243.307 -1.225 20 0 BAADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCOCC1 ZINC000863749008 589314519 /nfs/dbraw/zinc/31/45/19/589314519.db2.gz JGWWWGLSVQRNNZ-MRVPVSSYSA-N 1 0 229.280 -1.349 20 0 BAADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCOCC1 ZINC000863749010 589314175 /nfs/dbraw/zinc/31/41/75/589314175.db2.gz JGWWWGLSVQRNNZ-QMMMGPOBSA-N 1 0 229.280 -1.349 20 0 BAADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCNC(=O)C1 ZINC000863749575 589314178 /nfs/dbraw/zinc/31/41/78/589314178.db2.gz VAKYTTMJYXWVGC-SSDOTTSWSA-N 1 0 242.279 -2.250 20 0 BAADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCNC(=O)C1 ZINC000863749576 589314240 /nfs/dbraw/zinc/31/42/40/589314240.db2.gz VAKYTTMJYXWVGC-ZETCQYMHSA-N 1 0 242.279 -2.250 20 0 BAADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@H]1CO ZINC000863750502 589314341 /nfs/dbraw/zinc/31/43/41/589314341.db2.gz OUNCLBSRPBKRSD-BDAKNGLRSA-N 1 0 243.307 -1.225 20 0 BAADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@H]1CO ZINC000863750503 589314250 /nfs/dbraw/zinc/31/42/50/589314250.db2.gz OUNCLBSRPBKRSD-IUCAKERBSA-N 1 0 243.307 -1.225 20 0 BAADRO COCCN(C)C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000863752436 589314266 /nfs/dbraw/zinc/31/42/66/589314266.db2.gz SSRWCEYZBVSFNB-MRVPVSSYSA-N 1 0 231.296 -1.103 20 0 BAADRO COCCN(C)C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000863752437 589314256 /nfs/dbraw/zinc/31/42/56/589314256.db2.gz SSRWCEYZBVSFNB-QMMMGPOBSA-N 1 0 231.296 -1.103 20 0 BAADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(C)CC1 ZINC000863774073 589316480 /nfs/dbraw/zinc/31/64/80/589316480.db2.gz OWUIAGFVMCTCHJ-SECBINFHSA-N 1 0 242.323 -1.434 20 0 BAADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(C)CC1 ZINC000863774074 589316608 /nfs/dbraw/zinc/31/66/08/589316608.db2.gz OWUIAGFVMCTCHJ-VIFPVBQESA-N 1 0 242.323 -1.434 20 0 BAADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)C[C@@H](C)O ZINC000863774365 589316573 /nfs/dbraw/zinc/31/65/73/589316573.db2.gz VTBQYRFUFACJHN-HTQZYQBOSA-N 1 0 231.296 -1.369 20 0 BAADRO C[C@@H](O)CN(C)C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000863774366 589316646 /nfs/dbraw/zinc/31/66/46/589316646.db2.gz VTBQYRFUFACJHN-JGVFFNPUSA-N 1 0 231.296 -1.369 20 0 BAADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)C[C@H](C)O ZINC000863774367 589316485 /nfs/dbraw/zinc/31/64/85/589316485.db2.gz VTBQYRFUFACJHN-SFYZADRCSA-N 1 0 231.296 -1.369 20 0 BAADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)C[C@H](C)O ZINC000863774368 589315965 /nfs/dbraw/zinc/31/59/65/589315965.db2.gz VTBQYRFUFACJHN-YUMQZZPRSA-N 1 0 231.296 -1.369 20 0 BAADRO COC(=O)NCC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000863832545 589322350 /nfs/dbraw/zinc/32/23/50/589322350.db2.gz ZGYWMMFMZUMPHN-QMMMGPOBSA-N 1 0 245.279 -1.475 20 0 BAADRO O=C(CC1OCCO1)NCC[N@H+]1CC[C@H](O)C1 ZINC000863832632 589322168 /nfs/dbraw/zinc/32/21/68/589322168.db2.gz CQHBBAFBVBJHRC-VIFPVBQESA-N 1 0 244.291 -1.068 20 0 BAADRO O=C(NCC[N@H+]1CC[C@H](O)C1)[C@H]1COC(=O)N1 ZINC000863833545 589322411 /nfs/dbraw/zinc/32/24/11/589322411.db2.gz RXUSEGNMHGAQEE-JGVFFNPUSA-N 1 0 243.263 -1.722 20 0 BAADRO O=C(NCC[N@H+]1CC[C@H](O)C1)[C@@H]1COC(=O)N1 ZINC000863833546 589321727 /nfs/dbraw/zinc/32/17/27/589321727.db2.gz RXUSEGNMHGAQEE-YUMQZZPRSA-N 1 0 243.263 -1.722 20 0 BAADRO Cn1ncc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)n1 ZINC000863833659 589322256 /nfs/dbraw/zinc/32/22/56/589322256.db2.gz SQPVUEUHCJIGFX-QMMMGPOBSA-N 1 0 239.279 -1.389 20 0 BAADRO CNC(=O)[C@H](O)CNC(=O)C[N@H+](C)C1CCC1 ZINC000863909250 589325473 /nfs/dbraw/zinc/32/54/73/589325473.db2.gz JCMJBBRIBSVGME-SECBINFHSA-N 1 0 243.307 -1.306 20 0 BAADRO CNC(=O)[C@@H](O)CNC(=O)C[N@H+](C)C1CCC1 ZINC000863909251 589325630 /nfs/dbraw/zinc/32/56/30/589325630.db2.gz JCMJBBRIBSVGME-VIFPVBQESA-N 1 0 243.307 -1.306 20 0 BAADRO C[C@H](O)[C@H](O)CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000864073711 584000373 /nfs/dbraw/zinc/00/03/73/584000373.db2.gz DNKQDPYWWUAWMZ-CKEKPRIKSA-N 1 0 246.307 -1.701 20 0 BAADRO C[C@H](O)[C@H](O)CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000864073720 584000610 /nfs/dbraw/zinc/00/06/10/584000610.db2.gz DNKQDPYWWUAWMZ-SJQPAMGKSA-N 1 0 246.307 -1.701 20 0 BAADRO C[C@H](O)[C@H](O)CNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000864073723 584000415 /nfs/dbraw/zinc/00/04/15/584000415.db2.gz DNKQDPYWWUAWMZ-WYOJIJJFSA-N 1 0 246.307 -1.701 20 0 BAADRO C[C@H](O)[C@H](O)CNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000864073726 584000392 /nfs/dbraw/zinc/00/03/92/584000392.db2.gz DNKQDPYWWUAWMZ-YSSBGUOXSA-N 1 0 246.307 -1.701 20 0 BAADRO CN1C(=O)C[C@@H]([N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)C1=O ZINC000864350070 589355329 /nfs/dbraw/zinc/35/53/29/589355329.db2.gz CAYXUDGTUWPAJI-BWZBUEFSSA-N 1 0 238.243 -1.152 20 0 BAADRO CN1C(=O)C[C@H]([N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)C1=O ZINC000864350071 589355125 /nfs/dbraw/zinc/35/51/25/589355125.db2.gz CAYXUDGTUWPAJI-PRJMDXOYSA-N 1 0 238.243 -1.152 20 0 BAADRO O=C1C[C@@H]([N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)C(=O)N1 ZINC000864352039 589355203 /nfs/dbraw/zinc/35/52/03/589355203.db2.gz WVEWDINMWNYBBR-FSDSQADBSA-N 1 0 224.216 -1.494 20 0 BAADRO O=C1C[C@H]([N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)C(=O)N1 ZINC000864352040 589355031 /nfs/dbraw/zinc/35/50/31/589355031.db2.gz WVEWDINMWNYBBR-QYNIQEEDSA-N 1 0 224.216 -1.494 20 0 BAADRO C[C@@H]1C[C@@H]1NC(=[NH2+])NCCN1CCNC(=O)C1 ZINC000864463463 589369895 /nfs/dbraw/zinc/36/98/95/589369895.db2.gz WPKOAHVKVSHKHL-BDAKNGLRSA-N 1 0 239.323 -1.059 20 0 BAADRO C[C@H]1C[C@H]1NC(=[NH2+])NCCN1CCNC(=O)C1 ZINC000864463464 589370006 /nfs/dbraw/zinc/37/00/06/589370006.db2.gz WPKOAHVKVSHKHL-DTWKUNHWSA-N 1 0 239.323 -1.059 20 0 BAADRO C[C@H]1C[C@@H]1NC(=[NH2+])NCCN1CCNC(=O)C1 ZINC000864463465 589370157 /nfs/dbraw/zinc/37/01/57/589370157.db2.gz WPKOAHVKVSHKHL-IUCAKERBSA-N 1 0 239.323 -1.059 20 0 BAADRO C[C@@H]1C[C@H]1NC(=[NH2+])NCCN1CCNC(=O)C1 ZINC000864463466 589369944 /nfs/dbraw/zinc/36/99/44/589369944.db2.gz WPKOAHVKVSHKHL-RKDXNWHRSA-N 1 0 239.323 -1.059 20 0 BAADRO C[C@@H]1C(=O)NCCN1C(=O)[C@H](O)c1cnc[nH]1 ZINC000865128017 589410303 /nfs/dbraw/zinc/41/03/03/589410303.db2.gz DHMJLCXTHKOWAA-HTRCEHHLSA-N 1 0 238.247 -1.210 20 0 BAADRO C[C@H]1C(=O)NCCN1C(=O)[C@H](O)c1cnc[nH]1 ZINC000865128018 589410076 /nfs/dbraw/zinc/41/00/76/589410076.db2.gz DHMJLCXTHKOWAA-POYBYMJQSA-N 1 0 238.247 -1.210 20 0 BAADRO C[C@@H]1C(=O)NCCN1C(=O)[C@@H](O)c1cnc[nH]1 ZINC000865128019 589410402 /nfs/dbraw/zinc/41/04/02/589410402.db2.gz DHMJLCXTHKOWAA-SVRRBLITSA-N 1 0 238.247 -1.210 20 0 BAADRO C[C@H]1C(=O)NCCN1C(=O)[C@@H](O)c1cnc[nH]1 ZINC000865128020 589410296 /nfs/dbraw/zinc/41/02/96/589410296.db2.gz DHMJLCXTHKOWAA-XPUUQOCRSA-N 1 0 238.247 -1.210 20 0 BAADRO CC(C)(O)C[N@@H+]1CC[C@H](NS(N)(=O)=O)C1 ZINC000866031414 589473349 /nfs/dbraw/zinc/47/33/49/589473349.db2.gz CWPGYFDHXBJJTJ-ZETCQYMHSA-N 1 0 237.325 -1.375 20 0 BAADRO CNC(=O)C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866031604 589473419 /nfs/dbraw/zinc/47/34/19/589473419.db2.gz FYDWJZUIQUYXLW-QMMMGPOBSA-N 1 0 243.307 -1.306 20 0 BAADRO C[NH+](C)C[C@]1(O)CCCN(S(N)(=O)=O)C1 ZINC000866055020 589474089 /nfs/dbraw/zinc/47/40/89/589474089.db2.gz LXZMSXGCCZGPMI-MRVPVSSYSA-N 1 0 237.325 -1.422 20 0 BAADRO C[NH+](C)C[C@@]1(O)CCCN(S(N)(=O)=O)C1 ZINC000866055021 589474248 /nfs/dbraw/zinc/47/42/48/589474248.db2.gz LXZMSXGCCZGPMI-QMMMGPOBSA-N 1 0 237.325 -1.422 20 0 BAADRO CNC(=O)CNS(=O)(=O)CCC[NH+](C)C ZINC000866412866 589490632 /nfs/dbraw/zinc/49/06/32/589490632.db2.gz LHRUXLMSGYNDBK-UHFFFAOYSA-N 1 0 237.325 -1.397 20 0 BAADRO [NH3+]CCN1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000866717683 589514502 /nfs/dbraw/zinc/51/45/02/589514502.db2.gz MOBJSAZUYUGKGB-BDAKNGLRSA-N 1 0 213.281 -1.076 20 0 BAADRO [NH3+]CCN1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000866717684 589514146 /nfs/dbraw/zinc/51/41/46/589514146.db2.gz MOBJSAZUYUGKGB-DTWKUNHWSA-N 1 0 213.281 -1.076 20 0 BAADRO [NH3+]CCN1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000866717685 589514606 /nfs/dbraw/zinc/51/46/06/589514606.db2.gz MOBJSAZUYUGKGB-IUCAKERBSA-N 1 0 213.281 -1.076 20 0 BAADRO [NH3+]CCN1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000866717686 589514378 /nfs/dbraw/zinc/51/43/78/589514378.db2.gz MOBJSAZUYUGKGB-RKDXNWHRSA-N 1 0 213.281 -1.076 20 0 BAADRO CS(C)(=O)=NS(=O)(=O)N1CC[C@@H]([NH3+])C1 ZINC000866736486 589516399 /nfs/dbraw/zinc/51/63/99/589516399.db2.gz YRJPCQRQIGYEEV-ZCFIWIBFSA-N 1 0 241.338 -1.008 20 0 BAADRO C[NH2+]CCNS(=O)(=O)N=S(C)(C)=O ZINC000866737707 589517005 /nfs/dbraw/zinc/51/70/05/589517005.db2.gz IIUJYDATEXQPOF-UHFFFAOYSA-N 1 0 229.327 -1.232 20 0 BAADRO CS(C)(=O)=NS(=O)(=O)N1CC[C@H]([NH3+])C1 ZINC000866739139 589517057 /nfs/dbraw/zinc/51/70/57/589517057.db2.gz YRJPCQRQIGYEEV-LURJTMIESA-N 1 0 241.338 -1.008 20 0 BAADRO CCN1C[C@H](S(=O)(=O)N[C@@H](C)C[NH3+])CC1=O ZINC000866757461 589517920 /nfs/dbraw/zinc/51/79/20/589517920.db2.gz VHKJLGNOPOSNSU-JGVFFNPUSA-N 1 0 249.336 -1.126 20 0 BAADRO CCN1C[C@@H](S(=O)(=O)N[C@@H](C)C[NH3+])CC1=O ZINC000866757462 589518002 /nfs/dbraw/zinc/51/80/02/589518002.db2.gz VHKJLGNOPOSNSU-YUMQZZPRSA-N 1 0 249.336 -1.126 20 0 BAADRO CN(C1C[NH2+]C1)S(=O)(=O)N=S(C)(C)=O ZINC000866763570 589517885 /nfs/dbraw/zinc/51/78/85/589517885.db2.gz GMXKSMWRYHSAMP-UHFFFAOYSA-N 1 0 241.338 -1.138 20 0 BAADRO C[NH2+][C@@H](C)C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000867991703 589542517 /nfs/dbraw/zinc/54/25/17/589542517.db2.gz DLWUOGVOBOEVOW-BIIVOSGPSA-N 1 0 239.275 -1.333 20 0 BAADRO CN1C(=O)[C@H]2CN(C(=O)[C@@H]3C[C@@H]3[NH3+])C[C@H]2C1=O ZINC000867991992 589542778 /nfs/dbraw/zinc/54/27/78/589542778.db2.gz HZASQXAVGCHNNX-NGJRWZKOSA-N 1 0 237.259 -1.593 20 0 BAADRO CC[NH2+]CC(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000867992477 589542552 /nfs/dbraw/zinc/54/25/52/589542552.db2.gz MFMQZFAAYBVZOR-OCAPTIKFSA-N 1 0 239.275 -1.331 20 0 BAADRO C[C@H]([NH3+])CC(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000867992723 589542811 /nfs/dbraw/zinc/54/28/11/589542811.db2.gz SYWQOEAJPLETAA-BIIVOSGPSA-N 1 0 239.275 -1.203 20 0 BAADRO C[C@@H]([NH3+])CC(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000867992724 589542603 /nfs/dbraw/zinc/54/26/03/589542603.db2.gz SYWQOEAJPLETAA-PRJMDXOYSA-N 1 0 239.275 -1.203 20 0 BAADRO C[C@@H](C[NH3+])C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000867992914 589542738 /nfs/dbraw/zinc/54/27/38/589542738.db2.gz WJYXJTQNLOWXHK-BIIVOSGPSA-N 1 0 239.275 -1.346 20 0 BAADRO C[C@H](C[NH3+])C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000867992915 589542806 /nfs/dbraw/zinc/54/28/06/589542806.db2.gz WJYXJTQNLOWXHK-PRJMDXOYSA-N 1 0 239.275 -1.346 20 0 BAADRO CN(CC(=O)N1CC[C@@](C)([NH3+])C1)S(C)(=O)=O ZINC000868074544 589548370 /nfs/dbraw/zinc/54/83/70/589548370.db2.gz KYEBXIJVNHPCFI-SECBINFHSA-N 1 0 249.336 -1.173 20 0 BAADRO CN(CC(=O)N1CC[C@](C)([NH3+])C1)S(C)(=O)=O ZINC000868074545 589548173 /nfs/dbraw/zinc/54/81/73/589548173.db2.gz KYEBXIJVNHPCFI-VIFPVBQESA-N 1 0 249.336 -1.173 20 0 BAADRO CN(C)S(=O)(=O)CC(=O)N1CC[C@@](C)([NH3+])C1 ZINC000868079255 589548530 /nfs/dbraw/zinc/54/85/30/589548530.db2.gz BWWNHNNBBPDBDX-SECBINFHSA-N 1 0 249.336 -1.173 20 0 BAADRO CN(C)S(=O)(=O)CC(=O)N1CC[C@](C)([NH3+])C1 ZINC000868079257 589548538 /nfs/dbraw/zinc/54/85/38/589548538.db2.gz BWWNHNNBBPDBDX-VIFPVBQESA-N 1 0 249.336 -1.173 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@H]1CCC(=O)O1 ZINC000868345206 712622273 /nfs/dbraw/zinc/62/22/73/712622273.db2.gz CTRHWXGXRYNMBO-HTQZYQBOSA-N 1 0 230.264 -1.269 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1CCC(=O)O1 ZINC000868345207 712622208 /nfs/dbraw/zinc/62/22/08/712622208.db2.gz CTRHWXGXRYNMBO-JGVFFNPUSA-N 1 0 230.264 -1.269 20 0 BAADRO CN(CCO)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000868414019 589557650 /nfs/dbraw/zinc/55/76/50/589557650.db2.gz INSHNKGPUNGSMS-SECBINFHSA-N 1 0 243.307 -1.223 20 0 BAADRO C[C@@H]1CN(C(=O)[C@H](O)c2cnc[nH]2)CC(=O)N1 ZINC000868719360 589574478 /nfs/dbraw/zinc/57/44/78/589574478.db2.gz WNUIXABXFOYRHR-HZGVNTEJSA-N 1 0 238.247 -1.210 20 0 BAADRO C[C@H]1CN(C(=O)[C@H](O)c2cnc[nH]2)CC(=O)N1 ZINC000868719361 589574754 /nfs/dbraw/zinc/57/47/54/589574754.db2.gz WNUIXABXFOYRHR-IMTBSYHQSA-N 1 0 238.247 -1.210 20 0 BAADRO C[C@@H]1CN(C(=O)[C@@H](O)c2cnc[nH]2)CC(=O)N1 ZINC000868719362 589574531 /nfs/dbraw/zinc/57/45/31/589574531.db2.gz WNUIXABXFOYRHR-MUWHJKNJSA-N 1 0 238.247 -1.210 20 0 BAADRO C[C@H]1CN(C(=O)[C@@H](O)c2cnc[nH]2)CC(=O)N1 ZINC000868719363 589574665 /nfs/dbraw/zinc/57/46/65/589574665.db2.gz WNUIXABXFOYRHR-RCOVLWMOSA-N 1 0 238.247 -1.210 20 0 BAADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)CO)C1 ZINC000869778443 589629505 /nfs/dbraw/zinc/62/95/05/589629505.db2.gz AJYOUBDAACETEG-QMMMGPOBSA-N 1 0 216.281 -1.060 20 0 BAADRO O=C(CC[NH2+]CC1CC1)NN1CC(=O)NC1=O ZINC000870918963 589697296 /nfs/dbraw/zinc/69/72/96/589697296.db2.gz QMWXGNANDCDSEC-UHFFFAOYSA-N 1 0 240.263 -1.041 20 0 BAADRO O=C(CC[NH2+]CC1CC1)NC1=NCC(=O)N1 ZINC000870931043 589697693 /nfs/dbraw/zinc/69/76/93/589697693.db2.gz KQVRQRUQPVFJPP-UHFFFAOYSA-N 1 0 224.264 -1.022 20 0 BAADRO [NH3+]CCNC(=O)CN1CCCCC(=O)C1=O ZINC000870931596 589697870 /nfs/dbraw/zinc/69/78/70/589697870.db2.gz YBSMDWZKFGQFPZ-UHFFFAOYSA-N 1 0 227.264 -1.357 20 0 BAADRO C[NH2+]CCNC(=O)CN1CCCCC(=O)C1=O ZINC000870935529 589698371 /nfs/dbraw/zinc/69/83/71/589698371.db2.gz QBOAPQXNABZCQN-UHFFFAOYSA-N 1 0 241.291 -1.096 20 0 BAADRO CN(CC[NH3+])C(=O)CN1CCCCC(=O)C1=O ZINC000870947284 589700803 /nfs/dbraw/zinc/70/08/03/589700803.db2.gz YWTVSFALZWCMSO-UHFFFAOYSA-N 1 0 241.291 -1.015 20 0 BAADRO C[NH2+]CCC(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000870960437 589701553 /nfs/dbraw/zinc/70/15/53/589701553.db2.gz BAJPYXCQJUMHQH-OCAPTIKFSA-N 1 0 239.275 -1.331 20 0 BAADRO CC[C@@H]([NH3+])C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000870960611 589701440 /nfs/dbraw/zinc/70/14/40/589701440.db2.gz HRRKAKBUZSXJKB-GJMOJQLCSA-N 1 0 239.275 -1.203 20 0 BAADRO CC[C@H]([NH3+])C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000870960612 589701670 /nfs/dbraw/zinc/70/16/70/589701670.db2.gz HRRKAKBUZSXJKB-RNJXMRFFSA-N 1 0 239.275 -1.203 20 0 BAADRO CN1C(=O)[C@H]2CN(C(=O)C(C)(C)[NH3+])C[C@H]2C1=O ZINC000870961044 589701474 /nfs/dbraw/zinc/70/14/74/589701474.db2.gz WRYKSQOVBVWNTN-KNVOCYPGSA-N 1 0 239.275 -1.203 20 0 BAADRO CC1(C)C[C@@H](O)CN(C(=O)CNC(=O)C[NH3+])C1 ZINC000870981890 589704513 /nfs/dbraw/zinc/70/45/13/589704513.db2.gz BGXZDMZLQKPNKS-MRVPVSSYSA-N 1 0 243.307 -1.319 20 0 BAADRO CC1(C)C[C@H](O)CN(C(=O)CNC(=O)C[NH3+])C1 ZINC000870981892 589704817 /nfs/dbraw/zinc/70/48/17/589704817.db2.gz BGXZDMZLQKPNKS-QMMMGPOBSA-N 1 0 243.307 -1.319 20 0 BAADRO [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@@H](O)[C@@H](O)C1 ZINC000870983318 589705214 /nfs/dbraw/zinc/70/52/14/589705214.db2.gz ROGNRSNHTBGSQT-OSMVPFSASA-N 1 0 200.238 -1.712 20 0 BAADRO CC1(C)C[NH2+][C@@H]1C(=O)N1CC[C@@H](O)[C@@H](O)C1 ZINC000870983732 589705054 /nfs/dbraw/zinc/70/50/54/589705054.db2.gz YZQHZKMKOHNRJB-HRDYMLBCSA-N 1 0 228.292 -1.062 20 0 BAADRO CC1(C)C[NH2+][C@H]1C(=O)N1CC[C@@H](O)[C@@H](O)C1 ZINC000870983733 589705230 /nfs/dbraw/zinc/70/52/30/589705230.db2.gz YZQHZKMKOHNRJB-VGMNWLOBSA-N 1 0 228.292 -1.062 20 0 BAADRO C[C@H](O)[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000871128846 589731335 /nfs/dbraw/zinc/73/13/35/589731335.db2.gz ILKCRUFHJZINDC-CIUDSAMLSA-N 1 0 216.281 -1.062 20 0 BAADRO C[C@H](O)[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000871128847 589731450 /nfs/dbraw/zinc/73/14/50/589731450.db2.gz ILKCRUFHJZINDC-DJLDLDEBSA-N 1 0 216.281 -1.062 20 0 BAADRO C[C@H](O)[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000871128848 589731634 /nfs/dbraw/zinc/73/16/34/589731634.db2.gz ILKCRUFHJZINDC-XHNCKOQMSA-N 1 0 216.281 -1.062 20 0 BAADRO C[C@H](O)[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000871128849 589731307 /nfs/dbraw/zinc/73/13/07/589731307.db2.gz ILKCRUFHJZINDC-YIZRAAEISA-N 1 0 216.281 -1.062 20 0 BAADRO C[C@H](O)[C@H](O)CNC(=O)[C@H](C)[NH+](C)C ZINC000871130437 589732795 /nfs/dbraw/zinc/73/27/95/589732795.db2.gz CMHGDGZZYXNHPG-BIIVOSGPSA-N 1 0 204.270 -1.206 20 0 BAADRO C[C@H](O)[C@@H](O)CNC(=O)[C@H](C)[NH+](C)C ZINC000871130439 589732277 /nfs/dbraw/zinc/73/22/77/589732277.db2.gz CMHGDGZZYXNHPG-FXQIFTODSA-N 1 0 204.270 -1.206 20 0 BAADRO C[C@@H](O)[C@@H](O)CNC(=O)[C@H](C)[NH+](C)C ZINC000871130440 589732849 /nfs/dbraw/zinc/73/28/49/589732849.db2.gz CMHGDGZZYXNHPG-RNJXMRFFSA-N 1 0 204.270 -1.206 20 0 BAADRO C[C@@H](O)[C@H](O)CNC(=O)[C@H](C)[NH+](C)C ZINC000871130442 589732582 /nfs/dbraw/zinc/73/25/82/589732582.db2.gz CMHGDGZZYXNHPG-XLPZGREQSA-N 1 0 204.270 -1.206 20 0 BAADRO C[C@@H](O)[C@H](O)CNC(=O)C1([NH+](C)C)CC1 ZINC000871139456 589737304 /nfs/dbraw/zinc/73/73/04/589737304.db2.gz FJTIRTODOQQDGR-HTQZYQBOSA-N 1 0 216.281 -1.062 20 0 BAADRO C[C@H](O)[C@H](O)CNC(=O)C1([NH+](C)C)CC1 ZINC000871139457 589736962 /nfs/dbraw/zinc/73/69/62/589736962.db2.gz FJTIRTODOQQDGR-JGVFFNPUSA-N 1 0 216.281 -1.062 20 0 BAADRO C[C@@H](O)[C@@H](O)CNC(=O)C1([NH+](C)C)CC1 ZINC000871139458 589737270 /nfs/dbraw/zinc/73/72/70/589737270.db2.gz FJTIRTODOQQDGR-SFYZADRCSA-N 1 0 216.281 -1.062 20 0 BAADRO C[C@H](O)[C@@H](O)CNC(=O)C1([NH+](C)C)CC1 ZINC000871139459 589737223 /nfs/dbraw/zinc/73/72/23/589737223.db2.gz FJTIRTODOQQDGR-YUMQZZPRSA-N 1 0 216.281 -1.062 20 0 BAADRO CN1C(=O)[C@H]2CN(C(=O)C[NH+](C)C)C[C@H]2C1=O ZINC000871528146 589765412 /nfs/dbraw/zinc/76/54/12/589765412.db2.gz DTMKZHWVLKZNDD-OCAPTIKFSA-N 1 0 239.275 -1.379 20 0 BAADRO CNC(=O)CNC(=[NH2+])N(C)CCOC ZINC000871603405 589773468 /nfs/dbraw/zinc/77/34/68/589773468.db2.gz RWLMTBNTVSINQD-UHFFFAOYSA-N 1 0 202.258 -1.165 20 0 BAADRO COCCNC(=O)CNC(=[NH2+])N(C)CCOC ZINC000871603620 589774310 /nfs/dbraw/zinc/77/43/10/589774310.db2.gz ZBAKGSOBRKSNGR-UHFFFAOYSA-N 1 0 246.311 -1.148 20 0 BAADRO NS(=O)(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000871671380 589787293 /nfs/dbraw/zinc/78/72/93/589787293.db2.gz FFWSAFIMVXHTLT-MRVPVSSYSA-N 1 0 249.336 -1.062 20 0 BAADRO NS(=O)(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000871671381 583940519 /nfs/dbraw/zinc/94/05/19/583940519.db2.gz FFWSAFIMVXHTLT-QMMMGPOBSA-N 1 0 249.336 -1.062 20 0 BAADRO CNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000871674193 589788468 /nfs/dbraw/zinc/78/84/68/589788468.db2.gz WXGAQCJMHOATCS-OIBJUYFYSA-N 1 0 211.265 -1.200 20 0 BAADRO CC[C@@H]1COCCN1CCNC(=O)C(=O)NC ZINC000871760085 589807529 /nfs/dbraw/zinc/80/75/29/589807529.db2.gz FUOBCBLLFZGCBN-SECBINFHSA-N 1 0 243.307 -1.041 20 0 BAADRO CC[C@H]1COCCN1CCNC(=O)C(=O)NC ZINC000871760086 589808058 /nfs/dbraw/zinc/80/80/58/589808058.db2.gz FUOBCBLLFZGCBN-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO CC[C@@H]1COCCN1CCNS(N)(=O)=O ZINC000871760480 589807486 /nfs/dbraw/zinc/80/74/86/589807486.db2.gz MAKAFWFUNLOZLX-MRVPVSSYSA-N 1 0 237.325 -1.110 20 0 BAADRO CC[C@H]1COCCN1CCNS(N)(=O)=O ZINC000871760481 589807568 /nfs/dbraw/zinc/80/75/68/589807568.db2.gz MAKAFWFUNLOZLX-QMMMGPOBSA-N 1 0 237.325 -1.110 20 0 BAADRO C[NH2+]C[C@](C)(O)CN1CCCNC(=O)C1 ZINC000872157870 589886566 /nfs/dbraw/zinc/88/65/66/589886566.db2.gz SVUWFHHFOCZJQN-JTQLQIEISA-N 1 0 215.297 -1.221 20 0 BAADRO C[NH2+]C[C@@](C)(O)CN1CCCNC(=O)C1 ZINC000872157873 589886186 /nfs/dbraw/zinc/88/61/86/589886186.db2.gz SVUWFHHFOCZJQN-SNVBAGLBSA-N 1 0 215.297 -1.221 20 0 BAADRO C[C@@H](O)[C@@H](CO)[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872212964 589894189 /nfs/dbraw/zinc/89/41/89/589894189.db2.gz AEAYBKOPNFHFTN-HRDYMLBCSA-N 1 0 221.297 -1.160 20 0 BAADRO C[C@@H](O)[C@@H](CO)[NH2+]C[C@H](O)CC(C)(C)O ZINC000872212965 589894267 /nfs/dbraw/zinc/89/42/67/589894267.db2.gz AEAYBKOPNFHFTN-IWSPIJDZSA-N 1 0 221.297 -1.160 20 0 BAADRO CC(C)(O)C[C@@H](O)C[NH2+]C[C@@](C)(O)CO ZINC000872213878 589894761 /nfs/dbraw/zinc/89/47/61/589894761.db2.gz FXFCTDJEOLUKPH-PSASIEDQSA-N 1 0 221.297 -1.159 20 0 BAADRO CC(C)(O)C[C@@H](O)C[NH2+]C[C@](C)(O)CO ZINC000872213879 589893975 /nfs/dbraw/zinc/89/39/75/589893975.db2.gz FXFCTDJEOLUKPH-SCZZXKLOSA-N 1 0 221.297 -1.159 20 0 BAADRO CC(C)(O)C[C@H](O)C[NH2+]C[C@@](C)(O)CO ZINC000872213880 589893999 /nfs/dbraw/zinc/89/39/99/589893999.db2.gz FXFCTDJEOLUKPH-WCBMZHEXSA-N 1 0 221.297 -1.159 20 0 BAADRO CC(C)(O)C[C@H](O)C[NH2+]C[C@](C)(O)CO ZINC000872213881 589893996 /nfs/dbraw/zinc/89/39/96/589893996.db2.gz FXFCTDJEOLUKPH-WPRPVWTQSA-N 1 0 221.297 -1.159 20 0 BAADRO CC(C)(O)C[C@H](O)C[NH2+][C@@H]1COC[C@H]1O ZINC000872216275 589895271 /nfs/dbraw/zinc/89/52/71/589895271.db2.gz SDPABZHXNSEGMA-DJLDLDEBSA-N 1 0 219.281 -1.142 20 0 BAADRO CC(C)(O)C[C@@H](O)C[NH2+][C@@H]1COC[C@H]1O ZINC000872216276 589895252 /nfs/dbraw/zinc/89/52/52/589895252.db2.gz SDPABZHXNSEGMA-IWSPIJDZSA-N 1 0 219.281 -1.142 20 0 BAADRO CON(C)C(=O)CC[NH2+][C@@H]1COC[C@@H]1O ZINC000872218597 589895633 /nfs/dbraw/zinc/89/56/33/589895633.db2.gz QKYBWGXFTCXNDX-SFYZADRCSA-N 1 0 218.253 -1.254 20 0 BAADRO CC(C)(O)C[C@@H](O)C[NH2+][C@@H]1COC[C@@H]1O ZINC000872218710 589896243 /nfs/dbraw/zinc/89/62/43/589896243.db2.gz SDPABZHXNSEGMA-HLTSFMKQSA-N 1 0 219.281 -1.142 20 0 BAADRO CC(C)(O)C[C@H](O)C[NH2+][C@@H]1COC[C@@H]1O ZINC000872218711 589895696 /nfs/dbraw/zinc/89/56/96/589895696.db2.gz SDPABZHXNSEGMA-YIZRAAEISA-N 1 0 219.281 -1.142 20 0 BAADRO CON(C)C(=O)CC[NH2+]C[C@@H](O)[C@@H](C)O ZINC000872224751 589897510 /nfs/dbraw/zinc/89/75/10/589897510.db2.gz LBVMPBFTLPEICP-HTQZYQBOSA-N 1 0 220.269 -1.272 20 0 BAADRO CON(C)C(=O)CC[NH2+]C[C@@H](O)[C@H](C)O ZINC000872224752 589897312 /nfs/dbraw/zinc/89/73/12/589897312.db2.gz LBVMPBFTLPEICP-JGVFFNPUSA-N 1 0 220.269 -1.272 20 0 BAADRO CON(C)C(=O)CC[NH2+]C[C@H](O)[C@@H](C)O ZINC000872224753 589897394 /nfs/dbraw/zinc/89/73/94/589897394.db2.gz LBVMPBFTLPEICP-SFYZADRCSA-N 1 0 220.269 -1.272 20 0 BAADRO CON(C)C(=O)CC[NH2+]C[C@H](O)[C@H](C)O ZINC000872224754 589897438 /nfs/dbraw/zinc/89/74/38/589897438.db2.gz LBVMPBFTLPEICP-YUMQZZPRSA-N 1 0 220.269 -1.272 20 0 BAADRO C[C@H](O)C[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000872233120 589898609 /nfs/dbraw/zinc/89/86/09/589898609.db2.gz NMXQTGCXIAQNQD-GXSJLCMTSA-N 1 0 244.291 -1.415 20 0 BAADRO C[C@@H](O)C[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000872233121 589898682 /nfs/dbraw/zinc/89/86/82/589898682.db2.gz NMXQTGCXIAQNQD-KOLCDFICSA-N 1 0 244.291 -1.415 20 0 BAADRO C[C@@H](O)C[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000872233122 589898394 /nfs/dbraw/zinc/89/83/94/589898394.db2.gz NMXQTGCXIAQNQD-MWLCHTKSSA-N 1 0 244.291 -1.415 20 0 BAADRO C[C@H](O)C[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000872233123 589898505 /nfs/dbraw/zinc/89/85/05/589898505.db2.gz NMXQTGCXIAQNQD-ONGXEEELSA-N 1 0 244.291 -1.415 20 0 BAADRO NS(=O)(=O)CC[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872320654 589912336 /nfs/dbraw/zinc/91/23/36/589912336.db2.gz GQBFCGMQRQHFTC-OCAPTIKFSA-N 1 0 220.294 -1.147 20 0 BAADRO CS(=O)(=O)NCCNC(=O)C[NH+]1CCCC1 ZINC000873925045 590079313 /nfs/dbraw/zinc/07/93/13/590079313.db2.gz IONGFWFJLWUYQT-UHFFFAOYSA-N 1 0 249.336 -1.252 20 0 BAADRO C[NH+](C)CC1(C(=O)NN2CC(=O)NC2=O)CC1 ZINC000874065835 590089969 /nfs/dbraw/zinc/08/99/69/590089969.db2.gz AWVCAOXVKUWBRS-UHFFFAOYSA-N 1 0 240.263 -1.089 20 0 BAADRO C[C@H](C(=O)NCCCS(N)(=O)=O)[NH+](C)C ZINC000874145473 590094177 /nfs/dbraw/zinc/09/41/77/590094177.db2.gz XIBRLZVQPOJENB-SSDOTTSWSA-N 1 0 237.325 -1.269 20 0 BAADRO NC(=O)[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC000874257443 590100028 /nfs/dbraw/zinc/10/00/28/590100028.db2.gz ZBAUHTSLGQQJRJ-SECBINFHSA-N 1 0 241.291 -1.205 20 0 BAADRO NC(=O)[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC000874257444 590099547 /nfs/dbraw/zinc/09/95/47/590099547.db2.gz ZBAUHTSLGQQJRJ-VIFPVBQESA-N 1 0 241.291 -1.205 20 0 BAADRO C[N@@H+]1CC[C@H](CC(=O)NC2=NCC(=O)N2)C1 ZINC000874464190 590113694 /nfs/dbraw/zinc/11/36/94/590113694.db2.gz SESIIOHACDHJFG-SSDOTTSWSA-N 1 0 224.264 -1.070 20 0 BAADRO C[N@@H+]1CC[C@@H](CC(=O)NC2=NCC(=O)N2)C1 ZINC000874464333 590113521 /nfs/dbraw/zinc/11/35/21/590113521.db2.gz SESIIOHACDHJFG-ZETCQYMHSA-N 1 0 224.264 -1.070 20 0 BAADRO CN(CCS(N)(=O)=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC000874599836 590117912 /nfs/dbraw/zinc/11/79/12/590117912.db2.gz RHJYSELFRXQWHH-MRVPVSSYSA-N 1 0 249.336 -1.173 20 0 BAADRO CN(CCS(N)(=O)=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000874599837 590118086 /nfs/dbraw/zinc/11/80/86/590118086.db2.gz RHJYSELFRXQWHH-QMMMGPOBSA-N 1 0 249.336 -1.173 20 0 BAADRO CN(CCS(N)(=O)=O)C(=O)C[NH+]1CCCC1 ZINC000874600171 590118216 /nfs/dbraw/zinc/11/82/16/590118216.db2.gz GUMYWMGLBQTSOZ-UHFFFAOYSA-N 1 0 249.336 -1.171 20 0 BAADRO C[C@@H](C(=O)N(C)CCS(N)(=O)=O)[NH+](C)C ZINC000874600323 590117804 /nfs/dbraw/zinc/11/78/04/590117804.db2.gz NMNQOBYEZLGYRQ-ZETCQYMHSA-N 1 0 237.325 -1.317 20 0 BAADRO CN(CCS(N)(=O)=O)C(=O)C1([NH+](C)C)CC1 ZINC000874601653 590118422 /nfs/dbraw/zinc/11/84/22/590118422.db2.gz OYTUYKRAGUXWFK-UHFFFAOYSA-N 1 0 249.336 -1.173 20 0 BAADRO C[C@H](C(=O)N(C)CCS(N)(=O)=O)[NH+](C)C ZINC000874602110 590118463 /nfs/dbraw/zinc/11/84/63/590118463.db2.gz NMNQOBYEZLGYRQ-SSDOTTSWSA-N 1 0 237.325 -1.317 20 0 BAADRO CC[C@@H]1COCCN1CCNC(=O)C(N)=O ZINC000874709367 590124844 /nfs/dbraw/zinc/12/48/44/590124844.db2.gz BQKYAYKMQMHAMG-MRVPVSSYSA-N 1 0 229.280 -1.301 20 0 BAADRO CC[C@H]1COCCN1CCNC(=O)C(N)=O ZINC000874709368 590124981 /nfs/dbraw/zinc/12/49/81/590124981.db2.gz BQKYAYKMQMHAMG-QMMMGPOBSA-N 1 0 229.280 -1.301 20 0 BAADRO COCCONC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000875545501 590165550 /nfs/dbraw/zinc/16/55/50/590165550.db2.gz YQVCIWPDILMOMD-SECBINFHSA-N 1 0 247.295 -1.070 20 0 BAADRO COCCONC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000875545502 590165523 /nfs/dbraw/zinc/16/55/23/590165523.db2.gz YQVCIWPDILMOMD-VIFPVBQESA-N 1 0 247.295 -1.070 20 0 BAADRO [NH3+]CCNC(=O)/C=C/CN1CCOCC1 ZINC000876502844 590203768 /nfs/dbraw/zinc/20/37/68/590203768.db2.gz PDYGTLZLHXUZRJ-OWOJBTEDSA-N 1 0 213.281 -1.050 20 0 BAADRO [NH3+]CCNC(=O)/C=C\CN1CCOCC1 ZINC000876502845 590203635 /nfs/dbraw/zinc/20/36/35/590203635.db2.gz PDYGTLZLHXUZRJ-UPHRSURJSA-N 1 0 213.281 -1.050 20 0 BAADRO COC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH3+])O1 ZINC000876502902 590203827 /nfs/dbraw/zinc/20/38/27/590203827.db2.gz RNZXOLMTRONDCT-RQJHMYQMSA-N 1 0 216.237 -1.218 20 0 BAADRO [NH3+][C@@H]1CCN(C(=O)CN2CCOC2=O)C1 ZINC000876503668 590203563 /nfs/dbraw/zinc/20/35/63/590203563.db2.gz CAXILDWAFHNHAI-SSDOTTSWSA-N 1 0 213.237 -1.002 20 0 BAADRO C[NH2+][C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000876504325 590204058 /nfs/dbraw/zinc/20/40/58/590204058.db2.gz MVLSVUHPLUGVCT-BQBZGAKWSA-N 1 0 213.237 -1.085 20 0 BAADRO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000876504326 590204016 /nfs/dbraw/zinc/20/40/16/590204016.db2.gz MVLSVUHPLUGVCT-RQJHMYQMSA-N 1 0 213.237 -1.085 20 0 BAADRO [NH3+]CCCNC(=O)CN1CCOC1=O ZINC000876505179 590204606 /nfs/dbraw/zinc/20/46/06/590204606.db2.gz OJBZCIHNOOLWDO-UHFFFAOYSA-N 1 0 201.226 -1.096 20 0 BAADRO O=C([C@@H]1COC(=O)N1)N1CCC[NH2+]CC1 ZINC000876506367 590204398 /nfs/dbraw/zinc/20/43/98/590204398.db2.gz TWVGOOHUDQSPPE-ZETCQYMHSA-N 1 0 213.237 -1.083 20 0 BAADRO C[NH2+]CCCNC(=O)[C@@H]1COC(=O)N1 ZINC000876507838 590205140 /nfs/dbraw/zinc/20/51/40/590205140.db2.gz OUYBUOLFWJSINV-LURJTMIESA-N 1 0 201.226 -1.180 20 0 BAADRO O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1COC(=O)N1 ZINC000876508410 590204847 /nfs/dbraw/zinc/20/48/47/590204847.db2.gz MGWWAAUIPCGYEW-BQBZGAKWSA-N 1 0 213.237 -1.037 20 0 BAADRO O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1COC(=O)N1 ZINC000876508411 590204938 /nfs/dbraw/zinc/20/49/38/590204938.db2.gz MGWWAAUIPCGYEW-RQJHMYQMSA-N 1 0 213.237 -1.037 20 0 BAADRO O=C(NCCN1CC[NH2+]CC1)[C@@H]1COC(=O)N1 ZINC000876511169 590205498 /nfs/dbraw/zinc/20/54/98/590205498.db2.gz YTNXYWVRGWYFDU-QMMMGPOBSA-N 1 0 242.279 -1.884 20 0 BAADRO O=C(CN1CCOC1=O)N[C@@H]1CC[NH2+]C1 ZINC000876511344 584885488 /nfs/dbraw/zinc/88/54/88/584885488.db2.gz FRSQWBVNMIXREX-SSDOTTSWSA-N 1 0 213.237 -1.083 20 0 BAADRO O=C(CN1CCOC1=O)N[C@H]1CC[NH2+]C1 ZINC000876511345 584885501 /nfs/dbraw/zinc/88/55/01/584885501.db2.gz FRSQWBVNMIXREX-ZETCQYMHSA-N 1 0 213.237 -1.083 20 0 BAADRO C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1COC(=O)N1 ZINC000876515498 590206450 /nfs/dbraw/zinc/20/64/50/590206450.db2.gz SCNUEHAOWLMBFF-BQBZGAKWSA-N 1 0 213.237 -1.085 20 0 BAADRO C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1COC(=O)N1 ZINC000876515499 590206508 /nfs/dbraw/zinc/20/65/08/590206508.db2.gz SCNUEHAOWLMBFF-RQJHMYQMSA-N 1 0 213.237 -1.085 20 0 BAADRO [NH3+][C@H]1CCN(C(=O)CN2CCOC2=O)C1 ZINC000876516557 590206737 /nfs/dbraw/zinc/20/67/37/590206737.db2.gz CAXILDWAFHNHAI-ZETCQYMHSA-N 1 0 213.237 -1.002 20 0 BAADRO C[C@H]([NH3+])CCNC(=O)[C@@H]1COC(=O)N1 ZINC000876519271 590207078 /nfs/dbraw/zinc/20/70/78/590207078.db2.gz VOLVSMDNGPOMTF-WDSKDSINSA-N 1 0 201.226 -1.052 20 0 BAADRO C[NH2+]CCNC(=O)CN1CCOC1=O ZINC000876520916 590207385 /nfs/dbraw/zinc/20/73/85/590207385.db2.gz FXGYCRKSLSCNBF-UHFFFAOYSA-N 1 0 201.226 -1.226 20 0 BAADRO CC[NH2+]CCNC(=O)[C@@H]1COC(=O)N1 ZINC000876521477 590207529 /nfs/dbraw/zinc/20/75/29/590207529.db2.gz OVXVOKHLGSWYBT-LURJTMIESA-N 1 0 201.226 -1.180 20 0 BAADRO O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1COC(=O)N1 ZINC000876522414 590207684 /nfs/dbraw/zinc/20/76/84/590207684.db2.gz QGCGLJOKQPUMHY-BQBZGAKWSA-N 1 0 213.237 -1.037 20 0 BAADRO O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1COC(=O)N1 ZINC000876522415 590207907 /nfs/dbraw/zinc/20/79/07/590207907.db2.gz QGCGLJOKQPUMHY-RQJHMYQMSA-N 1 0 213.237 -1.037 20 0 BAADRO O=C(NCC[NH2+]C1CC1)[C@@H]1COC(=O)N1 ZINC000876522433 590207887 /nfs/dbraw/zinc/20/78/87/590207887.db2.gz QSNHOZKOWUWEBW-ZETCQYMHSA-N 1 0 213.237 -1.037 20 0 BAADRO CC(C)(C[NH3+])NC(=O)[C@@H]1COC(=O)N1 ZINC000876523641 590207959 /nfs/dbraw/zinc/20/79/59/590207959.db2.gz ANBVLSDKZABQPL-YFKPBYRVSA-N 1 0 201.226 -1.052 20 0 BAADRO CN(C(=O)[C@@H]1COC(=O)N1)[C@H]1CC[NH2+]C1 ZINC000876528311 590209353 /nfs/dbraw/zinc/20/93/53/590209353.db2.gz OXIFPIVPFVOCOO-BQBZGAKWSA-N 1 0 213.237 -1.085 20 0 BAADRO CN(C(=O)[C@@H]1COC(=O)N1)[C@@H]1CC[NH2+]C1 ZINC000876528312 590209176 /nfs/dbraw/zinc/20/91/76/590209176.db2.gz OXIFPIVPFVOCOO-RQJHMYQMSA-N 1 0 213.237 -1.085 20 0 BAADRO C[C@H]1CN(C(=O)[C@@H]2COC(=O)N2)CC[NH2+]1 ZINC000876530959 590210420 /nfs/dbraw/zinc/21/04/20/590210420.db2.gz WMRXQAHQJKHDGX-BQBZGAKWSA-N 1 0 213.237 -1.085 20 0 BAADRO C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)CC[NH2+]1 ZINC000876530960 590210191 /nfs/dbraw/zinc/21/01/91/590210191.db2.gz WMRXQAHQJKHDGX-RQJHMYQMSA-N 1 0 213.237 -1.085 20 0 BAADRO C[C@H](C[NH3+])N(C)C(=O)[C@@H]1COC(=O)N1 ZINC000876531308 590210482 /nfs/dbraw/zinc/21/04/82/590210482.db2.gz CBNSERMFHQGFGI-RITPCOANSA-N 1 0 201.226 -1.100 20 0 BAADRO C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1COC(=O)N1 ZINC000876531309 590210167 /nfs/dbraw/zinc/21/01/67/590210167.db2.gz CBNSERMFHQGFGI-WDSKDSINSA-N 1 0 201.226 -1.100 20 0 BAADRO CN(CCC[NH3+])C(=O)[C@@H]1COC(=O)N1 ZINC000876535815 590211389 /nfs/dbraw/zinc/21/13/89/590211389.db2.gz QNBVWUYXIIMAAO-LURJTMIESA-N 1 0 201.226 -1.098 20 0 BAADRO [NH3+]C[C@H](NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC000876537477 590211630 /nfs/dbraw/zinc/21/16/30/590211630.db2.gz RPOQHEWJHBEORY-BQBZGAKWSA-N 1 0 213.237 -1.052 20 0 BAADRO [NH3+]C[C@@H](NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC000876537478 590211524 /nfs/dbraw/zinc/21/15/24/590211524.db2.gz RPOQHEWJHBEORY-RQJHMYQMSA-N 1 0 213.237 -1.052 20 0 BAADRO CC(C)([NH3+])CNC(=O)[C@@H]1COC(=O)N1 ZINC000876538482 590211726 /nfs/dbraw/zinc/21/17/26/590211726.db2.gz RLBGSTZAHPWNRL-YFKPBYRVSA-N 1 0 201.226 -1.052 20 0 BAADRO CN1CCN(C(=O)[C@H]2CCC(=O)O2)[C@@H](C[NH3+])C1 ZINC000876541626 590212249 /nfs/dbraw/zinc/21/22/49/590212249.db2.gz CPQHWKARMIJTOS-DTWKUNHWSA-N 1 0 241.291 -1.207 20 0 BAADRO CN1CCN(C(=O)[C@H]2CCC(=O)O2)[C@H](C[NH3+])C1 ZINC000876541627 590212591 /nfs/dbraw/zinc/21/25/91/590212591.db2.gz CPQHWKARMIJTOS-RKDXNWHRSA-N 1 0 241.291 -1.207 20 0 BAADRO CN1CCN(C(=O)[C@@H]2COC(=O)N2)[C@H](C[NH3+])C1 ZINC000876542621 590212528 /nfs/dbraw/zinc/21/25/28/590212528.db2.gz QTCLAIAHBHZNBZ-SFYZADRCSA-N 1 0 242.279 -1.804 20 0 BAADRO CN1CCN(C(=O)[C@@H]2COC(=O)N2)[C@@H](C[NH3+])C1 ZINC000876542622 590212648 /nfs/dbraw/zinc/21/26/48/590212648.db2.gz QTCLAIAHBHZNBZ-YUMQZZPRSA-N 1 0 242.279 -1.804 20 0 BAADRO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCO1 ZINC000876543089 590212604 /nfs/dbraw/zinc/21/26/04/590212604.db2.gz FGESIGIRVIKTNY-BIIVOSGPSA-N 1 0 243.263 -1.331 20 0 BAADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCO1 ZINC000876543090 590212902 /nfs/dbraw/zinc/21/29/02/590212902.db2.gz FGESIGIRVIKTNY-CSMHCCOUSA-N 1 0 243.263 -1.331 20 0 BAADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCO1 ZINC000876543091 590212652 /nfs/dbraw/zinc/21/26/52/590212652.db2.gz FGESIGIRVIKTNY-FXQIFTODSA-N 1 0 243.263 -1.331 20 0 BAADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCO1 ZINC000876543092 590212809 /nfs/dbraw/zinc/21/28/09/590212809.db2.gz FGESIGIRVIKTNY-GJMOJQLCSA-N 1 0 243.263 -1.331 20 0 BAADRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC(N)=O ZINC000876595747 590219652 /nfs/dbraw/zinc/21/96/52/590219652.db2.gz JVZMWUBHKGTLKW-OUZXLXBKSA-N 1 0 211.265 -1.000 20 0 BAADRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC(N)=O ZINC000876595748 590220040 /nfs/dbraw/zinc/22/00/40/590220040.db2.gz JVZMWUBHKGTLKW-YEMZYZDBSA-N 1 0 211.265 -1.000 20 0 BAADRO C[NH+](C)C[C@H](N)C(=O)NCC(=O)OCC1CC1 ZINC000876641734 590225561 /nfs/dbraw/zinc/22/55/61/590225561.db2.gz OAHMGAFVEZKBMI-VIFPVBQESA-N 1 0 243.307 -1.055 20 0 BAADRO COC(=O)[C@H](C)CNC(=O)[C@@H](N)C[NH+](C)C ZINC000876642055 590225857 /nfs/dbraw/zinc/22/58/57/590225857.db2.gz QZEUOUGJZDPDCC-SFYZADRCSA-N 1 0 231.296 -1.199 20 0 BAADRO COC(=O)[C@@H](C)CNC(=O)[C@@H](N)C[NH+](C)C ZINC000876642056 590225570 /nfs/dbraw/zinc/22/55/70/590225570.db2.gz QZEUOUGJZDPDCC-YUMQZZPRSA-N 1 0 231.296 -1.199 20 0 BAADRO Cc1nonc1CNC(=O)CN1CC[NH2+]CC1 ZINC000876667972 590227888 /nfs/dbraw/zinc/22/78/88/590227888.db2.gz QJWXYXWNHGLDMP-UHFFFAOYSA-N 1 0 239.279 -1.101 20 0 BAADRO COC(=O)[C@H](NC(=O)[C@@H](N)C[NH+](C)C)C1CC1 ZINC000876678253 590229504 /nfs/dbraw/zinc/22/95/04/590229504.db2.gz JSXFETDSAOITTL-DTWKUNHWSA-N 1 0 243.307 -1.057 20 0 BAADRO COC(=O)[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)C1CC1 ZINC000876678254 590229839 /nfs/dbraw/zinc/22/98/39/590229839.db2.gz JSXFETDSAOITTL-IUCAKERBSA-N 1 0 243.307 -1.057 20 0 BAADRO COC[C@@]1(C(=O)NC[C@@H](C)C[NH3+])C[NH2+]CCO1 ZINC000876786363 590240913 /nfs/dbraw/zinc/24/09/13/590240913.db2.gz LZJKKVMYAUINQB-GXSJLCMTSA-N 1 0 245.323 -1.298 20 0 BAADRO COC[C@]1(C(=O)NC[C@H](C)C[NH3+])C[NH2+]CCO1 ZINC000876786366 590240856 /nfs/dbraw/zinc/24/08/56/590240856.db2.gz LZJKKVMYAUINQB-KOLCDFICSA-N 1 0 245.323 -1.298 20 0 BAADRO COC[C@@]1(C(=O)NC[C@H](C)C[NH3+])C[NH2+]CCO1 ZINC000876786368 590240956 /nfs/dbraw/zinc/24/09/56/590240956.db2.gz LZJKKVMYAUINQB-MWLCHTKSSA-N 1 0 245.323 -1.298 20 0 BAADRO COC[C@]1(C(=O)NC[C@@H](C)C[NH3+])C[NH2+]CCO1 ZINC000876786370 590240810 /nfs/dbraw/zinc/24/08/10/590240810.db2.gz LZJKKVMYAUINQB-ONGXEEELSA-N 1 0 245.323 -1.298 20 0 BAADRO C[C@H](C[NH3+])CNC(=O)[C@@H]1COC(=O)N1 ZINC000876787255 590240821 /nfs/dbraw/zinc/24/08/21/590240821.db2.gz PKXIAZLJXXBLDU-RITPCOANSA-N 1 0 201.226 -1.194 20 0 BAADRO C[C@@H](C[NH3+])CNC(=O)[C@@H]1COC(=O)N1 ZINC000876787256 590240889 /nfs/dbraw/zinc/24/08/89/590240889.db2.gz PKXIAZLJXXBLDU-WDSKDSINSA-N 1 0 201.226 -1.194 20 0 BAADRO C[C@H](C[NH3+])CNC(=O)[C@@H](N)C[NH+](C)C ZINC000876788301 590240841 /nfs/dbraw/zinc/24/08/41/590240841.db2.gz ZNKAKIKIRGFYPM-SFYZADRCSA-N 1 0 202.302 -1.414 20 0 BAADRO C[NH+](C)C[C@H](N)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000876790915 590241216 /nfs/dbraw/zinc/24/12/16/590241216.db2.gz GHEKNCOVHCPYQW-BDAKNGLRSA-N 1 0 214.313 -1.271 20 0 BAADRO C[NH+](C)C[C@H](N)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000876790916 590241286 /nfs/dbraw/zinc/24/12/86/590241286.db2.gz GHEKNCOVHCPYQW-IUCAKERBSA-N 1 0 214.313 -1.271 20 0 BAADRO C[NH2+]CCN(C)C(=O)CN1CC(=O)N(C)C1=O ZINC000876790970 590241495 /nfs/dbraw/zinc/24/14/95/590241495.db2.gz ANKBTRIQVXVEKS-UHFFFAOYSA-N 1 0 242.279 -1.442 20 0 BAADRO COCC[NH2+]CCNC(=O)CN1CCOC1=O ZINC000876791725 590241893 /nfs/dbraw/zinc/24/18/93/590241893.db2.gz IEMMTCXMZVDVSB-UHFFFAOYSA-N 1 0 245.279 -1.209 20 0 BAADRO C[NH2+]CCN(C)C(=O)C1CS(=O)(=O)C1 ZINC000876791744 590242252 /nfs/dbraw/zinc/24/22/52/590242252.db2.gz IYXQFPKYRFHEIP-UHFFFAOYSA-N 1 0 220.294 -1.291 20 0 BAADRO C[NH2+]CCN(C)C(=O)[C@@H]1COC(=O)N1 ZINC000876792465 590242250 /nfs/dbraw/zinc/24/22/50/590242250.db2.gz WCJLUYJLVFHMAD-LURJTMIESA-N 1 0 201.226 -1.227 20 0 BAADRO [NH3+][C@@H](CNC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC000876792692 590242273 /nfs/dbraw/zinc/24/22/73/590242273.db2.gz YABPTXAJIBGGPO-BQBZGAKWSA-N 1 0 213.237 -1.052 20 0 BAADRO [NH3+][C@H](CNC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC000876792693 590242262 /nfs/dbraw/zinc/24/22/62/590242262.db2.gz YABPTXAJIBGGPO-RQJHMYQMSA-N 1 0 213.237 -1.052 20 0 BAADRO C[C@H](C[NH3+])NC(=O)CN1CCOC1=O ZINC000876807356 590245028 /nfs/dbraw/zinc/24/50/28/590245028.db2.gz BZEPTGBRKBNRRF-ZCFIWIBFSA-N 1 0 201.226 -1.098 20 0 BAADRO C[NH+](C)C[C@H](N)C(=O)NCC(F)(F)CN ZINC000876808800 590244912 /nfs/dbraw/zinc/24/49/12/590244912.db2.gz NRGLDZJTSOIZAM-LURJTMIESA-N 1 0 224.255 -1.415 20 0 BAADRO [NH3+]C[C@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCO1 ZINC000876808897 590244941 /nfs/dbraw/zinc/24/49/41/590244941.db2.gz VTLFDPRQPJCILD-BQBZGAKWSA-N 1 0 229.236 -1.719 20 0 BAADRO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCO1 ZINC000876808898 590244841 /nfs/dbraw/zinc/24/48/41/590244841.db2.gz VTLFDPRQPJCILD-RQJHMYQMSA-N 1 0 229.236 -1.719 20 0 BAADRO [NH3+]C[C@@H]1CN(C(=O)CN2CCOC2=O)CCO1 ZINC000876809255 590242856 /nfs/dbraw/zinc/24/28/56/590242856.db2.gz YGGKYEHNDYGVEO-MRVPVSSYSA-N 1 0 243.263 -1.375 20 0 BAADRO [NH3+]C[C@H]1CN(C(=O)CN2CCOC2=O)CCO1 ZINC000876809256 590243284 /nfs/dbraw/zinc/24/32/84/590243284.db2.gz YGGKYEHNDYGVEO-QMMMGPOBSA-N 1 0 243.263 -1.375 20 0 BAADRO C[C@H](C(=O)N[C@@H](C)C[NH3+])N1CCNCC1=O ZINC000876829454 584887057 /nfs/dbraw/zinc/88/70/57/584887057.db2.gz IUDUTRWQBBLXPU-JGVFFNPUSA-N 1 0 228.296 -1.730 20 0 BAADRO C[C@@H](C[NH3+])NC(=O)[C@H](C)N1CCNCC1=O ZINC000876829455 584887247 /nfs/dbraw/zinc/88/72/47/584887247.db2.gz IUDUTRWQBBLXPU-YUMQZZPRSA-N 1 0 228.296 -1.730 20 0 BAADRO C[C@@H](C[NH3+])NC(=O)CN1CCOC1=O ZINC000876830149 590247262 /nfs/dbraw/zinc/24/72/62/590247262.db2.gz BZEPTGBRKBNRRF-LURJTMIESA-N 1 0 201.226 -1.098 20 0 BAADRO C[C@H]([NH3+])CNC(=O)CN1CCOC1=O ZINC000876833986 590247939 /nfs/dbraw/zinc/24/79/39/590247939.db2.gz LJVGTDQQGRSBOJ-LURJTMIESA-N 1 0 201.226 -1.098 20 0 BAADRO C[C@@H]([NH3+])CNC(=O)CN1CCOC1=O ZINC000876833989 590247875 /nfs/dbraw/zinc/24/78/75/590247875.db2.gz LJVGTDQQGRSBOJ-ZCFIWIBFSA-N 1 0 201.226 -1.098 20 0 BAADRO O=C([C@@H]1COC(=O)N1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000876837498 590248524 /nfs/dbraw/zinc/24/85/24/590248524.db2.gz IOADMWMENMZPMT-RNJXMRFFSA-N 1 0 225.248 -1.227 20 0 BAADRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1COC(=O)N1 ZINC000876856589 590249880 /nfs/dbraw/zinc/24/98/80/590249880.db2.gz QRBZVEJDHCXWJO-ACZMJKKPSA-N 1 0 231.227 -1.089 20 0 BAADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1COC(=O)N1 ZINC000876858318 590250281 /nfs/dbraw/zinc/25/02/81/590250281.db2.gz BJGYARMZTCJUIP-BNHYGAARSA-N 1 0 211.221 -1.571 20 0 BAADRO O=C(CN1CCOC1=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000876858324 590250224 /nfs/dbraw/zinc/25/02/24/590250224.db2.gz BMCZVLFJXSACER-QMSLJYSESA-N 1 0 225.248 -1.227 20 0 BAADRO C[C@@H](NC(=O)[C@@H]1COC(=O)N1)[C@H](C)[NH3+] ZINC000876860595 590250547 /nfs/dbraw/zinc/25/05/47/590250547.db2.gz FJPRIYAETBIQHG-JKUQZMGJSA-N 1 0 201.226 -1.053 20 0 BAADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@@H]1COC(=O)N1 ZINC000876860596 590250733 /nfs/dbraw/zinc/25/07/33/590250733.db2.gz FJPRIYAETBIQHG-PBXRRBTRSA-N 1 0 201.226 -1.053 20 0 BAADRO C[C@@H]([NH3+])[C@H](C)NC(=O)[C@@H]1COC(=O)N1 ZINC000876860597 590250648 /nfs/dbraw/zinc/25/06/48/590250648.db2.gz FJPRIYAETBIQHG-SRQIZXRXSA-N 1 0 201.226 -1.053 20 0 BAADRO C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1COC(=O)N1 ZINC000876860598 590250456 /nfs/dbraw/zinc/25/04/56/590250456.db2.gz FJPRIYAETBIQHG-ZLUOBGJFSA-N 1 0 201.226 -1.053 20 0 BAADRO CC[C@@H]([NH3+])CNC(=O)[C@@H]1COC(=O)N1 ZINC000876865100 590251540 /nfs/dbraw/zinc/25/15/40/590251540.db2.gz ZKRPCROUQJQDEQ-RITPCOANSA-N 1 0 201.226 -1.052 20 0 BAADRO CC[C@H]([NH3+])CNC(=O)[C@@H]1COC(=O)N1 ZINC000876865101 590251666 /nfs/dbraw/zinc/25/16/66/590251666.db2.gz ZKRPCROUQJQDEQ-WDSKDSINSA-N 1 0 201.226 -1.052 20 0 BAADRO O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H]1COC(=O)N1 ZINC000876869808 590251266 /nfs/dbraw/zinc/25/12/66/590251266.db2.gz IEZFCVPTAKBYQV-SFYZADRCSA-N 1 0 243.263 -1.411 20 0 BAADRO O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1COC(=O)N1 ZINC000876869809 590251450 /nfs/dbraw/zinc/25/14/50/590251450.db2.gz IEZFCVPTAKBYQV-YUMQZZPRSA-N 1 0 243.263 -1.411 20 0 BAADRO O=C(C1CS(=O)(=O)C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876870660 590251987 /nfs/dbraw/zinc/25/19/87/590251987.db2.gz BDRBNPWBHCNYDL-APPZFPTMSA-N 1 0 244.316 -1.149 20 0 BAADRO O=C([C@@H]1COC(=O)N1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876870666 590252055 /nfs/dbraw/zinc/25/20/55/590252055.db2.gz BKIFGIGGTGWEIX-CSMHCCOUSA-N 1 0 225.248 -1.085 20 0 BAADRO COC(=O)C1(CNC(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876882717 590252911 /nfs/dbraw/zinc/25/29/11/590252911.db2.gz OZBWBJTZJUNWSV-QMMMGPOBSA-N 1 0 243.307 -1.055 20 0 BAADRO COC(=O)[C@H](C)N(C)C(=O)[C@@H](N)C[NH+](C)C ZINC000876883917 590253428 /nfs/dbraw/zinc/25/34/28/590253428.db2.gz OBBOFVTVZNRTBN-YUMQZZPRSA-N 1 0 231.296 -1.105 20 0 BAADRO CNC(=O)CCCN(C)C(=O)[C@@H](N)C[NH+](C)C ZINC000876886424 590253618 /nfs/dbraw/zinc/25/36/18/590253618.db2.gz VNPOOKPJOITKSP-VIFPVBQESA-N 1 0 244.339 -1.140 20 0 BAADRO COC[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)C(=O)OC ZINC000876886840 590253642 /nfs/dbraw/zinc/25/36/42/590253642.db2.gz BBKGXQNCDAZMOE-JGVFFNPUSA-N 1 0 247.295 -1.821 20 0 BAADRO COC[C@H](NC(=O)[C@@H](N)C[NH+](C)C)C(=O)OC ZINC000876886841 590254293 /nfs/dbraw/zinc/25/42/93/590254293.db2.gz BBKGXQNCDAZMOE-YUMQZZPRSA-N 1 0 247.295 -1.821 20 0 BAADRO C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1[NH3+] ZINC000876915398 590256453 /nfs/dbraw/zinc/25/64/53/590256453.db2.gz RDZDGFVOPWDWAJ-QYNIQEEDSA-N 1 0 213.237 -1.100 20 0 BAADRO O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1COC(=O)N1 ZINC000876916454 590256927 /nfs/dbraw/zinc/25/69/27/590256927.db2.gz BSQLFAPIIQSYJX-BQBZGAKWSA-N 1 0 229.236 -1.801 20 0 BAADRO O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1COC(=O)N1 ZINC000876916455 590257038 /nfs/dbraw/zinc/25/70/38/590257038.db2.gz BSQLFAPIIQSYJX-RQJHMYQMSA-N 1 0 229.236 -1.801 20 0 BAADRO O=C(CN1CCOC1=O)NC[C@H]1C[NH2+]CCO1 ZINC000876917868 590257065 /nfs/dbraw/zinc/25/70/65/590257065.db2.gz XGEWFZGCAUYWTH-MRVPVSSYSA-N 1 0 243.263 -1.457 20 0 BAADRO O=C(CN1CCOC1=O)NC[C@@H]1C[NH2+]CCO1 ZINC000876917871 590256756 /nfs/dbraw/zinc/25/67/56/590256756.db2.gz XGEWFZGCAUYWTH-QMMMGPOBSA-N 1 0 243.263 -1.457 20 0 BAADRO CN(CC[NH3+])C(=O)CN1CCOC1=O ZINC000876919137 590257391 /nfs/dbraw/zinc/25/73/91/590257391.db2.gz RDTUGRDYEFYDTM-UHFFFAOYSA-N 1 0 201.226 -1.144 20 0 BAADRO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCCO1 ZINC000876920634 590257392 /nfs/dbraw/zinc/25/73/92/590257392.db2.gz YQJUMOXPXLWXPK-SFYZADRCSA-N 1 0 243.263 -1.329 20 0 BAADRO [NH3+]C[C@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCCO1 ZINC000876920635 590257306 /nfs/dbraw/zinc/25/73/06/590257306.db2.gz YQJUMOXPXLWXPK-YUMQZZPRSA-N 1 0 243.263 -1.329 20 0 BAADRO CN(C[C@H]1COCCO1)C(=O)[C@@H](N)C[NH+](C)C ZINC000876965447 590261872 /nfs/dbraw/zinc/26/18/72/590261872.db2.gz HOTDCKHBXQCVIP-UWVGGRQHSA-N 1 0 245.323 -1.251 20 0 BAADRO CN(C[C@@H]1COCCO1)C(=O)[C@@H](N)C[NH+](C)C ZINC000876965448 590262073 /nfs/dbraw/zinc/26/20/73/590262073.db2.gz HOTDCKHBXQCVIP-ZJUUUORDSA-N 1 0 245.323 -1.251 20 0 BAADRO COC(=O)[C@H]1C[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876973173 590262813 /nfs/dbraw/zinc/26/28/13/590262813.db2.gz WQEXIGXYNSNKBH-YIZRAAEISA-N 1 0 243.307 -1.057 20 0 BAADRO [NH3+][C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)CC[C@H]1F ZINC000876975391 590263672 /nfs/dbraw/zinc/26/36/72/590263672.db2.gz FHIWRWMBEIYBOW-QYNIQEEDSA-N 1 0 231.227 -1.008 20 0 BAADRO O=C(NCC12CC(C1)C[NH2+]2)[C@@H]1COC(=O)N1 ZINC000876975848 590263670 /nfs/dbraw/zinc/26/36/70/590263670.db2.gz FFHMKTXCBFFGRA-DSQUFTABSA-N 1 0 225.248 -1.037 20 0 BAADRO C[NH2+]C[C@@H](C)NC(=O)[C@@H]1COC(=O)N1 ZINC000876978369 590264051 /nfs/dbraw/zinc/26/40/51/590264051.db2.gz MVGQZXZKKANKQG-RITPCOANSA-N 1 0 201.226 -1.181 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)[C@@H]1COC(=O)N1 ZINC000876978370 590264122 /nfs/dbraw/zinc/26/41/22/590264122.db2.gz MVGQZXZKKANKQG-WDSKDSINSA-N 1 0 201.226 -1.181 20 0 BAADRO COC(=O)[C@H]1C[C@H](NC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876979190 590264239 /nfs/dbraw/zinc/26/42/39/590264239.db2.gz WQEXIGXYNSNKBH-CIUDSAMLSA-N 1 0 243.307 -1.057 20 0 BAADRO C[C@@]1(NC(=O)[C@@H]2COC(=O)N2)CC[NH2+]C1 ZINC000876980724 590264897 /nfs/dbraw/zinc/26/48/97/590264897.db2.gz MUOGBDUSEBFCBJ-IMTBSYHQSA-N 1 0 213.237 -1.037 20 0 BAADRO C[C@]1(NC(=O)[C@@H]2COC(=O)N2)CC[NH2+]C1 ZINC000876980725 590264619 /nfs/dbraw/zinc/26/46/19/590264619.db2.gz MUOGBDUSEBFCBJ-RCOVLWMOSA-N 1 0 213.237 -1.037 20 0 BAADRO O=C([C@@H]1COC(=O)N1)N1CCOC2(C[NH2+]C2)C1 ZINC000876984515 590264566 /nfs/dbraw/zinc/26/45/66/590264566.db2.gz IGMIQVTTZRFYRW-ZETCQYMHSA-N 1 0 241.247 -1.704 20 0 BAADRO CCn1ncc(CNC(=O)[C@H]2C[NH2+]CCO2)n1 ZINC000876990150 590265653 /nfs/dbraw/zinc/26/56/53/590265653.db2.gz RZZPLEHPTXRSCY-SECBINFHSA-N 1 0 239.279 -1.097 20 0 BAADRO CCn1ncc(CNC(=O)[C@@H]2C[NH2+]CCO2)n1 ZINC000876990151 590265897 /nfs/dbraw/zinc/26/58/97/590265897.db2.gz RZZPLEHPTXRSCY-VIFPVBQESA-N 1 0 239.279 -1.097 20 0 BAADRO CCn1ncc(CNC(=O)C2(O)C[NH2+]C2)n1 ZINC000876990481 590266472 /nfs/dbraw/zinc/26/64/72/590266472.db2.gz FGPDHIOPQAOOFD-UHFFFAOYSA-N 1 0 225.252 -1.752 20 0 BAADRO COC(=O)C1=CC[C@@H](NC(=O)C2(O)C[NH2+]C2)C1 ZINC000877001530 590267542 /nfs/dbraw/zinc/26/75/42/590267542.db2.gz DTPPTAYYSUWAIG-MRVPVSSYSA-N 1 0 240.259 -1.301 20 0 BAADRO COC(=O)C1=CC[C@H](NC(=O)C2(O)C[NH2+]C2)C1 ZINC000877001531 590267384 /nfs/dbraw/zinc/26/73/84/590267384.db2.gz DTPPTAYYSUWAIG-QMMMGPOBSA-N 1 0 240.259 -1.301 20 0 BAADRO CCN(CC[NH3+])C(=O)[C@@H]1COC(=O)N1 ZINC000877006065 590268526 /nfs/dbraw/zinc/26/85/26/590268526.db2.gz GCHGXAAITVUMRU-LURJTMIESA-N 1 0 201.226 -1.098 20 0 BAADRO C[NH2+]CCOCCNC(=O)[C@@H]1COC(=O)N1 ZINC000877024116 590270683 /nfs/dbraw/zinc/27/06/83/590270683.db2.gz QTQPNSKEMLULAI-ZETCQYMHSA-N 1 0 231.252 -1.553 20 0 BAADRO C[NH2+]CCOCCNC(=O)CN1CCOC1=O ZINC000877024278 590270502 /nfs/dbraw/zinc/27/05/02/590270502.db2.gz XQNBZRSMVZMDDO-UHFFFAOYSA-N 1 0 245.279 -1.209 20 0 BAADRO C[NH2+]CCOCCNC(=O)CNC(=O)OC ZINC000877025794 590270900 /nfs/dbraw/zinc/27/09/00/590270900.db2.gz WNIFZFCTTWCEHV-UHFFFAOYSA-N 1 0 233.268 -1.305 20 0 BAADRO C[NH2+]CCOCCN(C)C(=O)[C@@H]1COC(=O)N1 ZINC000877029421 590271306 /nfs/dbraw/zinc/27/13/06/590271306.db2.gz BSMXJCNBMSMJBP-QMMMGPOBSA-N 1 0 245.279 -1.211 20 0 BAADRO O=C(CN1CCOC1=O)NC[C@@H]1COCC[NH2+]1 ZINC000877037859 590272780 /nfs/dbraw/zinc/27/27/80/590272780.db2.gz DAIWTDDVEMJLPB-MRVPVSSYSA-N 1 0 243.263 -1.457 20 0 BAADRO O=C(CN1CCOC1=O)NC[C@H]1COCC[NH2+]1 ZINC000877037861 590272634 /nfs/dbraw/zinc/27/26/34/590272634.db2.gz DAIWTDDVEMJLPB-QMMMGPOBSA-N 1 0 243.263 -1.457 20 0 BAADRO O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1COC(=O)N1 ZINC000877039073 590272610 /nfs/dbraw/zinc/27/26/10/590272610.db2.gz FVPUZVJXZODNDZ-BQBZGAKWSA-N 1 0 229.236 -1.801 20 0 BAADRO O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1COC(=O)N1 ZINC000877039074 590272926 /nfs/dbraw/zinc/27/29/26/590272926.db2.gz FVPUZVJXZODNDZ-RQJHMYQMSA-N 1 0 229.236 -1.801 20 0 BAADRO CCOC(=O)NCC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000877039901 590273639 /nfs/dbraw/zinc/27/36/39/590273639.db2.gz QWRIYOVESHYNQY-MRVPVSSYSA-N 1 0 245.279 -1.163 20 0 BAADRO CCOC(=O)NCC(=O)NC[C@H]1COCC[NH2+]1 ZINC000877039902 590273397 /nfs/dbraw/zinc/27/33/97/590273397.db2.gz QWRIYOVESHYNQY-QMMMGPOBSA-N 1 0 245.279 -1.163 20 0 BAADRO COC(=O)NCCC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000877040298 590273732 /nfs/dbraw/zinc/27/37/32/590273732.db2.gz BYMUTHKMFMSIEA-MRVPVSSYSA-N 1 0 245.279 -1.163 20 0 BAADRO COC(=O)NCCC(=O)NC[C@H]1COCC[NH2+]1 ZINC000877040300 590273171 /nfs/dbraw/zinc/27/31/71/590273171.db2.gz BYMUTHKMFMSIEA-QMMMGPOBSA-N 1 0 245.279 -1.163 20 0 BAADRO COC(=O)N(C)CC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000877042490 590273296 /nfs/dbraw/zinc/27/32/96/590273296.db2.gz XAXSQNSXDJDKTE-MRVPVSSYSA-N 1 0 245.279 -1.211 20 0 BAADRO COC(=O)N(C)CC(=O)NC[C@H]1COCC[NH2+]1 ZINC000877042492 590273404 /nfs/dbraw/zinc/27/34/04/590273404.db2.gz XAXSQNSXDJDKTE-QMMMGPOBSA-N 1 0 245.279 -1.211 20 0 BAADRO [NH3+]CCCOCCNC(=O)CN1CCOC1=O ZINC000877053176 590275317 /nfs/dbraw/zinc/27/53/17/590275317.db2.gz FQQCHRLZAOMBHV-UHFFFAOYSA-N 1 0 245.279 -1.080 20 0 BAADRO CN(CCOCC[NH3+])C(=O)CN1CCOC1=O ZINC000877055128 590275191 /nfs/dbraw/zinc/27/51/91/590275191.db2.gz PCJUXIFXGJBGHN-UHFFFAOYSA-N 1 0 245.279 -1.128 20 0 BAADRO CN(CCOCC[NH3+])C(=O)[C@@H]1COC(=O)N1 ZINC000877057121 590275827 /nfs/dbraw/zinc/27/58/27/590275827.db2.gz UWSUFVSQTUJPPN-ZETCQYMHSA-N 1 0 231.252 -1.472 20 0 BAADRO COC(=O)NCC(=O)N(C)CCOCC[NH3+] ZINC000877059310 590276211 /nfs/dbraw/zinc/27/62/11/590276211.db2.gz UKJPBSKROOXKDG-UHFFFAOYSA-N 1 0 233.268 -1.224 20 0 BAADRO CON(C)C(=O)[C@H](C)NC(=O)[C@@H](C)[NH3+] ZINC000877088290 590280826 /nfs/dbraw/zinc/28/08/26/590280826.db2.gz BHOIGZYKDZBOEJ-RITPCOANSA-N 1 0 203.242 -1.142 20 0 BAADRO CON(C)C(=O)[C@H](C)NC(=O)[C@H](C)[NH3+] ZINC000877088291 590281112 /nfs/dbraw/zinc/28/11/12/590281112.db2.gz BHOIGZYKDZBOEJ-WDSKDSINSA-N 1 0 203.242 -1.142 20 0 BAADRO CON(C)C(=O)[C@H](C)NC(=O)[C@H]1CC[NH2+]1 ZINC000877088315 590280725 /nfs/dbraw/zinc/28/07/25/590280725.db2.gz BWUOLFDHLRDJKQ-NKWVEPMBSA-N 1 0 215.253 -1.127 20 0 BAADRO C[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)OC ZINC000877088352 590280763 /nfs/dbraw/zinc/28/07/63/590280763.db2.gz DARUJBOGSQJTEB-LURJTMIESA-N 1 0 203.242 -1.270 20 0 BAADRO CO[C@@H](C[NH3+])CC(=O)N[C@@H](C)C(=O)N(C)OC ZINC000877088488 590280740 /nfs/dbraw/zinc/28/07/40/590280740.db2.gz DTILCBGNESOPBN-JGVFFNPUSA-N 1 0 247.295 -1.125 20 0 BAADRO CO[C@H](C[NH3+])CC(=O)N[C@@H](C)C(=O)N(C)OC ZINC000877088489 590281066 /nfs/dbraw/zinc/28/10/66/590281066.db2.gz DTILCBGNESOPBN-YUMQZZPRSA-N 1 0 247.295 -1.125 20 0 BAADRO CON(C)C(=O)[C@H](C)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000877089386 590280919 /nfs/dbraw/zinc/28/09/19/590280919.db2.gz OLFICDDVZIWAPX-JGVFFNPUSA-N 1 0 245.279 -1.501 20 0 BAADRO CON(C)C(=O)[C@H](C)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000877089387 590280899 /nfs/dbraw/zinc/28/08/99/590280899.db2.gz OLFICDDVZIWAPX-YUMQZZPRSA-N 1 0 245.279 -1.501 20 0 BAADRO COCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)OC ZINC000877089679 590280761 /nfs/dbraw/zinc/28/07/61/590280761.db2.gz QVGVZDXWIPLEDZ-QMMMGPOBSA-N 1 0 247.295 -1.253 20 0 BAADRO CON(C)C(=O)[C@H](C)NC(=O)CC[NH3+] ZINC000877090029 590281037 /nfs/dbraw/zinc/28/10/37/590281037.db2.gz YONGYFCMWSLHCK-LURJTMIESA-N 1 0 203.242 -1.140 20 0 BAADRO CON(C)C(=O)[C@H](C)NC(=O)COCC[NH3+] ZINC000877090047 590281107 /nfs/dbraw/zinc/28/11/07/590281107.db2.gz ZBHWRMHDNLKWNA-ZETCQYMHSA-N 1 0 233.268 -1.514 20 0 BAADRO CON(C)C(=O)[C@H](C)NC(=O)[C@@H](N)C[NH+](C)C ZINC000877090638 590280782 /nfs/dbraw/zinc/28/07/82/590280782.db2.gz ACUJXZRZVDKNRT-YUMQZZPRSA-N 1 0 246.311 -1.600 20 0 BAADRO CON(C)C(=O)[C@H](C)NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000877091358 590281412 /nfs/dbraw/zinc/28/14/12/590281412.db2.gz GQPGXMVHBRNXRQ-BIIVOSGPSA-N 1 0 245.279 -1.373 20 0 BAADRO CON(C)C(=O)[C@H](C)NC(=O)C1(O)C[NH2+]C1 ZINC000877092117 590281451 /nfs/dbraw/zinc/28/14/51/590281451.db2.gz UUWHWFOQUQGYFG-LURJTMIESA-N 1 0 231.252 -2.155 20 0 BAADRO CON(C)C(=O)[C@H](C)NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000877092291 590281436 /nfs/dbraw/zinc/28/14/36/590281436.db2.gz YTLNCFPDPFUZFS-RBXMUDONSA-N 1 0 241.291 -1.024 20 0 BAADRO C[C@@H]([NH3+])CN(C)C(=O)CN1CCNCC1=O ZINC000877095724 590281725 /nfs/dbraw/zinc/28/17/25/590281725.db2.gz POCAYUKKCUTBRA-MRVPVSSYSA-N 1 0 228.296 -1.776 20 0 BAADRO C[C@H]([NH3+])CN(C)C(=O)CN1CCNCC1=O ZINC000877095726 590281739 /nfs/dbraw/zinc/28/17/39/590281739.db2.gz POCAYUKKCUTBRA-QMMMGPOBSA-N 1 0 228.296 -1.776 20 0 BAADRO C[C@@H]([NH3+])CN(C)C(=O)CN(C)S(C)(=O)=O ZINC000877097358 590281699 /nfs/dbraw/zinc/28/16/99/590281699.db2.gz BSKYRYFZNIXQIC-SSDOTTSWSA-N 1 0 237.325 -1.317 20 0 BAADRO C[C@H]([NH3+])CN(C)C(=O)CN(C)S(C)(=O)=O ZINC000877097359 590282179 /nfs/dbraw/zinc/28/21/79/590282179.db2.gz BSKYRYFZNIXQIC-ZETCQYMHSA-N 1 0 237.325 -1.317 20 0 BAADRO C[C@H]([NH3+])CN(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC000877098059 590282504 /nfs/dbraw/zinc/28/25/04/590282504.db2.gz KNPIDMUPUAXPAA-BQBZGAKWSA-N 1 0 237.325 -1.270 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000877098060 590282422 /nfs/dbraw/zinc/28/24/22/590282422.db2.gz KNPIDMUPUAXPAA-NKWVEPMBSA-N 1 0 237.325 -1.270 20 0 BAADRO C[C@@H]([NH3+])CN(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC000877098061 590282521 /nfs/dbraw/zinc/28/25/21/590282521.db2.gz KNPIDMUPUAXPAA-RNFRBKRXSA-N 1 0 237.325 -1.270 20 0 BAADRO C[C@@H]([NH3+])CN(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC000877098062 590282305 /nfs/dbraw/zinc/28/23/05/590282305.db2.gz KNPIDMUPUAXPAA-RQJHMYQMSA-N 1 0 237.325 -1.270 20 0 BAADRO C[C@@H]([NH3+])CN(C)C(=O)CCNS(C)(=O)=O ZINC000877098294 590282329 /nfs/dbraw/zinc/28/23/29/590282329.db2.gz OKWHUKJELNTICM-SSDOTTSWSA-N 1 0 237.325 -1.269 20 0 BAADRO C[C@H]([NH3+])CN(C)C(=O)CCNS(C)(=O)=O ZINC000877098295 590282596 /nfs/dbraw/zinc/28/25/96/590282596.db2.gz OKWHUKJELNTICM-ZETCQYMHSA-N 1 0 237.325 -1.269 20 0 BAADRO C[C@@H]([NH3+])CN(C)C(=O)CN1CCCS1(=O)=O ZINC000877099448 590282374 /nfs/dbraw/zinc/28/23/74/590282374.db2.gz GZVUKHFYAWOYHI-MRVPVSSYSA-N 1 0 249.336 -1.173 20 0 BAADRO C[C@H]([NH3+])CN(C)C(=O)CN1CCCS1(=O)=O ZINC000877099449 590282571 /nfs/dbraw/zinc/28/25/71/590282571.db2.gz GZVUKHFYAWOYHI-QMMMGPOBSA-N 1 0 249.336 -1.173 20 0 BAADRO CNS(=O)(=O)CC(=O)N(C)C[C@H](C)[NH3+] ZINC000877100113 590282845 /nfs/dbraw/zinc/28/28/45/590282845.db2.gz PYTPDNXOMNJENG-LURJTMIESA-N 1 0 223.298 -1.659 20 0 BAADRO CNS(=O)(=O)CC(=O)N(C)C[C@@H](C)[NH3+] ZINC000877100114 590282760 /nfs/dbraw/zinc/28/27/60/590282760.db2.gz PYTPDNXOMNJENG-ZCFIWIBFSA-N 1 0 223.298 -1.659 20 0 BAADRO COCC(=O)N(C)CC(=O)N(C)C[C@@H](C)[NH3+] ZINC000877102905 590283577 /nfs/dbraw/zinc/28/35/77/590283577.db2.gz OMJDJHZEPDYVKU-MRVPVSSYSA-N 1 0 231.296 -1.103 20 0 BAADRO COCC(=O)N(C)CC(=O)N(C)C[C@H](C)[NH3+] ZINC000877102906 590283745 /nfs/dbraw/zinc/28/37/45/590283745.db2.gz OMJDJHZEPDYVKU-QMMMGPOBSA-N 1 0 231.296 -1.103 20 0 BAADRO CCS(=O)(=O)NCC(=O)N(C)C[C@@H](C)[NH3+] ZINC000877103065 590283625 /nfs/dbraw/zinc/28/36/25/590283625.db2.gz PPVZIRIXHVKKNS-SSDOTTSWSA-N 1 0 237.325 -1.269 20 0 BAADRO CCS(=O)(=O)NCC(=O)N(C)C[C@H](C)[NH3+] ZINC000877103066 590283842 /nfs/dbraw/zinc/28/38/42/590283842.db2.gz PPVZIRIXHVKKNS-ZETCQYMHSA-N 1 0 237.325 -1.269 20 0 BAADRO Cc1nn(CC(=O)N(C)C[C@@H](C)[NH3+])c(=O)n1C ZINC000877105030 590284663 /nfs/dbraw/zinc/28/46/63/590284663.db2.gz HHQKHGSDWTUFIW-SSDOTTSWSA-N 1 0 241.295 -1.304 20 0 BAADRO Cc1nn(CC(=O)N(C)C[C@H](C)[NH3+])c(=O)n1C ZINC000877105032 590284684 /nfs/dbraw/zinc/28/46/84/590284684.db2.gz HHQKHGSDWTUFIW-ZETCQYMHSA-N 1 0 241.295 -1.304 20 0 BAADRO C[C@@H]([NH3+])CN(C)C(=O)CN1CC(=O)N(C)C1=O ZINC000877105221 590284719 /nfs/dbraw/zinc/28/47/19/590284719.db2.gz JNMQKWJVASAEKU-SSDOTTSWSA-N 1 0 242.279 -1.314 20 0 BAADRO C[C@H]([NH3+])CN(C)C(=O)CN1CC(=O)N(C)C1=O ZINC000877105223 590284657 /nfs/dbraw/zinc/28/46/57/590284657.db2.gz JNMQKWJVASAEKU-ZETCQYMHSA-N 1 0 242.279 -1.314 20 0 BAADRO C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC000877105235 590284479 /nfs/dbraw/zinc/28/44/79/590284479.db2.gz JPGOGDGELXWMFT-RITPCOANSA-N 1 0 201.226 -1.100 20 0 BAADRO C[C@H]([NH3+])CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC000877105238 590284525 /nfs/dbraw/zinc/28/45/25/590284525.db2.gz JPGOGDGELXWMFT-WDSKDSINSA-N 1 0 201.226 -1.100 20 0 BAADRO CCOC(=O)[C@@H](N)C(=O)N(C)C[C@H](C)[NH3+] ZINC000877105442 590284545 /nfs/dbraw/zinc/28/45/45/590284545.db2.gz KCTBNSPYMXRJJN-BQBZGAKWSA-N 1 0 217.269 -1.318 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)N(C)C[C@H](C)[NH3+] ZINC000877105443 590284600 /nfs/dbraw/zinc/28/46/00/590284600.db2.gz KCTBNSPYMXRJJN-NKWVEPMBSA-N 1 0 217.269 -1.318 20 0 BAADRO CCOC(=O)[C@H](N)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877105444 590284812 /nfs/dbraw/zinc/28/48/12/590284812.db2.gz KCTBNSPYMXRJJN-RNFRBKRXSA-N 1 0 217.269 -1.318 20 0 BAADRO CCOC(=O)[C@@H](N)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877105445 590285035 /nfs/dbraw/zinc/28/50/35/590285035.db2.gz KCTBNSPYMXRJJN-RQJHMYQMSA-N 1 0 217.269 -1.318 20 0 BAADRO C[C@@H]([NH3+])CN(C)C(=O)C1(n2cnnn2)CC1 ZINC000877105770 590284830 /nfs/dbraw/zinc/28/48/30/590284830.db2.gz MMLQVAHVOXEHDL-SSDOTTSWSA-N 1 0 224.268 -1.032 20 0 BAADRO C[C@H]([NH3+])CN(C)C(=O)C1(n2cnnn2)CC1 ZINC000877105771 590284966 /nfs/dbraw/zinc/28/49/66/590284966.db2.gz MMLQVAHVOXEHDL-ZETCQYMHSA-N 1 0 224.268 -1.032 20 0 BAADRO C[C@@H]([NH3+])CN(C)C(=O)[C@H](C)N1CCNCC1=O ZINC000877106398 590285207 /nfs/dbraw/zinc/28/52/07/590285207.db2.gz SRVNQHDJCQABPM-BDAKNGLRSA-N 1 0 242.323 -1.388 20 0 BAADRO C[C@H](C(=O)N(C)C[C@H](C)[NH3+])N1CCNCC1=O ZINC000877106399 584890183 /nfs/dbraw/zinc/89/01/83/584890183.db2.gz SRVNQHDJCQABPM-DTWKUNHWSA-N 1 0 242.323 -1.388 20 0 BAADRO C[C@H]([NH3+])CN(C)C(=O)[C@H](C)N1CCNCC1=O ZINC000877106400 584890165 /nfs/dbraw/zinc/89/01/65/584890165.db2.gz SRVNQHDJCQABPM-IUCAKERBSA-N 1 0 242.323 -1.388 20 0 BAADRO C[C@@H]([NH3+])CN(C)C(=O)[C@@H](C)N1CCNCC1=O ZINC000877106401 584890171 /nfs/dbraw/zinc/89/01/71/584890171.db2.gz SRVNQHDJCQABPM-RKDXNWHRSA-N 1 0 242.323 -1.388 20 0 BAADRO C[C@@H]([NH3+])CN(C)C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000877106740 590285534 /nfs/dbraw/zinc/28/55/34/590285534.db2.gz ZJYHXVNLYCIOAM-HTQZYQBOSA-N 1 0 249.336 -1.174 20 0 BAADRO C[C@H]([NH3+])CN(C)C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000877106741 590285345 /nfs/dbraw/zinc/28/53/45/590285345.db2.gz ZJYHXVNLYCIOAM-JGVFFNPUSA-N 1 0 249.336 -1.174 20 0 BAADRO C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000877106742 590285462 /nfs/dbraw/zinc/28/54/62/590285462.db2.gz ZJYHXVNLYCIOAM-SFYZADRCSA-N 1 0 249.336 -1.174 20 0 BAADRO C[C@H]([NH3+])CN(C)C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000877106743 590285303 /nfs/dbraw/zinc/28/53/03/590285303.db2.gz ZJYHXVNLYCIOAM-YUMQZZPRSA-N 1 0 249.336 -1.174 20 0 BAADRO C[C@@H]([NH3+])CN(C)C(=O)Cn1ncn(C)c1=O ZINC000877106754 590285298 /nfs/dbraw/zinc/28/52/98/590285298.db2.gz ZOVRQDQMIRCSJI-SSDOTTSWSA-N 1 0 227.268 -1.613 20 0 BAADRO C[C@H]([NH3+])CN(C)C(=O)Cn1ncn(C)c1=O ZINC000877106755 590285473 /nfs/dbraw/zinc/28/54/73/590285473.db2.gz ZOVRQDQMIRCSJI-ZETCQYMHSA-N 1 0 227.268 -1.613 20 0 BAADRO C[C@H]([NH3+])CN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC000877106943 590285210 /nfs/dbraw/zinc/28/52/10/590285210.db2.gz YCDRIHKAVFCAQX-BQBZGAKWSA-N 1 0 214.269 -1.184 20 0 BAADRO C[C@H]([NH3+])CN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC000877106944 590285311 /nfs/dbraw/zinc/28/53/11/590285311.db2.gz YCDRIHKAVFCAQX-NKWVEPMBSA-N 1 0 214.269 -1.184 20 0 BAADRO C[C@@H]([NH3+])CN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC000877106945 590285236 /nfs/dbraw/zinc/28/52/36/590285236.db2.gz YCDRIHKAVFCAQX-RNFRBKRXSA-N 1 0 214.269 -1.184 20 0 BAADRO C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC000877106946 590285244 /nfs/dbraw/zinc/28/52/44/590285244.db2.gz YCDRIHKAVFCAQX-RQJHMYQMSA-N 1 0 214.269 -1.184 20 0 BAADRO C[C@@H]([NH3+])CN(C)C(=O)CS(=O)(=O)N(C)C ZINC000877107144 590285920 /nfs/dbraw/zinc/28/59/20/590285920.db2.gz YBMBKVMFGANGDV-SSDOTTSWSA-N 1 0 237.325 -1.317 20 0 BAADRO C[C@H]([NH3+])CN(C)C(=O)CS(=O)(=O)N(C)C ZINC000877107145 590286043 /nfs/dbraw/zinc/28/60/43/590286043.db2.gz YBMBKVMFGANGDV-ZETCQYMHSA-N 1 0 237.325 -1.317 20 0 BAADRO C[C@H]([NH3+])CN(C)C(=O)C1CS(=O)(=O)C1 ZINC000877107288 590285948 /nfs/dbraw/zinc/28/59/48/590285948.db2.gz BUEVPWSKSJXVLL-LURJTMIESA-N 1 0 220.294 -1.163 20 0 BAADRO C[C@@H]([NH3+])CN(C)C(=O)C1CS(=O)(=O)C1 ZINC000877107289 590285647 /nfs/dbraw/zinc/28/56/47/590285647.db2.gz BUEVPWSKSJXVLL-ZCFIWIBFSA-N 1 0 220.294 -1.163 20 0 BAADRO CON(C)C(=O)[C@@H](C)NC(=O)[C@H](C)[NH3+] ZINC000877107651 590285708 /nfs/dbraw/zinc/28/57/08/590285708.db2.gz BHOIGZYKDZBOEJ-NTSWFWBYSA-N 1 0 203.242 -1.142 20 0 BAADRO CON(C)C(=O)[C@@H](C)NC(=O)[C@@H](C)[NH3+] ZINC000877107652 590285625 /nfs/dbraw/zinc/28/56/25/590285625.db2.gz BHOIGZYKDZBOEJ-PHDIDXHHSA-N 1 0 203.242 -1.142 20 0 BAADRO CON(C)C(=O)[C@@H](C)NC(=O)[C@H]1CC[NH2+]1 ZINC000877107672 590286012 /nfs/dbraw/zinc/28/60/12/590286012.db2.gz BWUOLFDHLRDJKQ-RNFRBKRXSA-N 1 0 215.253 -1.127 20 0 BAADRO C[NH2+]CC(=O)N[C@H](C)C(=O)N(C)OC ZINC000877107711 590285839 /nfs/dbraw/zinc/28/58/39/590285839.db2.gz DARUJBOGSQJTEB-ZCFIWIBFSA-N 1 0 203.242 -1.270 20 0 BAADRO CO[C@@H](C[NH3+])CC(=O)N[C@H](C)C(=O)N(C)OC ZINC000877107844 590285994 /nfs/dbraw/zinc/28/59/94/590285994.db2.gz DTILCBGNESOPBN-HTQZYQBOSA-N 1 0 247.295 -1.125 20 0 BAADRO CO[C@H](C[NH3+])CC(=O)N[C@H](C)C(=O)N(C)OC ZINC000877107845 590285938 /nfs/dbraw/zinc/28/59/38/590285938.db2.gz DTILCBGNESOPBN-SFYZADRCSA-N 1 0 247.295 -1.125 20 0 BAADRO CON(C)C(=O)[C@@H](C)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000877108469 590286551 /nfs/dbraw/zinc/28/65/51/590286551.db2.gz OLFICDDVZIWAPX-HTQZYQBOSA-N 1 0 245.279 -1.501 20 0 BAADRO CON(C)C(=O)[C@@H](C)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000877108470 590286306 /nfs/dbraw/zinc/28/63/06/590286306.db2.gz OLFICDDVZIWAPX-SFYZADRCSA-N 1 0 245.279 -1.501 20 0 BAADRO COCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)OC ZINC000877108603 590286475 /nfs/dbraw/zinc/28/64/75/590286475.db2.gz QVGVZDXWIPLEDZ-MRVPVSSYSA-N 1 0 247.295 -1.253 20 0 BAADRO CON(C)C(=O)[C@@H](C)NC(=O)CC[NH3+] ZINC000877109040 590286171 /nfs/dbraw/zinc/28/61/71/590286171.db2.gz YONGYFCMWSLHCK-ZCFIWIBFSA-N 1 0 203.242 -1.140 20 0 BAADRO CON(C)C(=O)[C@@H](C)NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000877109061 590286126 /nfs/dbraw/zinc/28/61/26/590286126.db2.gz YTLNCFPDPFUZFS-HXFLIBJXSA-N 1 0 241.291 -1.024 20 0 BAADRO CON(C)C(=O)[C@@H](C)NC(=O)COCC[NH3+] ZINC000877109083 590286326 /nfs/dbraw/zinc/28/63/26/590286326.db2.gz ZBHWRMHDNLKWNA-SSDOTTSWSA-N 1 0 233.268 -1.514 20 0 BAADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC000877109678 590286844 /nfs/dbraw/zinc/28/68/44/590286844.db2.gz PQNYQSBJGKFWFO-XVMARJQXSA-N 1 0 213.237 -1.039 20 0 BAADRO CON(C)C(=O)[C@@H](C)NC(=O)[C@@H](N)C[NH+](C)C ZINC000877110623 590286591 /nfs/dbraw/zinc/28/65/91/590286591.db2.gz ACUJXZRZVDKNRT-SFYZADRCSA-N 1 0 246.311 -1.600 20 0 BAADRO CON(C)C(=O)[C@@H](C)NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000877110947 590287361 /nfs/dbraw/zinc/28/73/61/590287361.db2.gz GQPGXMVHBRNXRQ-GJMOJQLCSA-N 1 0 245.279 -1.373 20 0 BAADRO CON(C)C(=O)[C@@H](C)NC(=O)C1(O)C[NH2+]C1 ZINC000877112536 590287381 /nfs/dbraw/zinc/28/73/81/590287381.db2.gz UUWHWFOQUQGYFG-ZCFIWIBFSA-N 1 0 231.252 -2.155 20 0 BAADRO O=C([C@@H]1C[NH2+]CCO1)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000877113531 590288047 /nfs/dbraw/zinc/28/80/47/590288047.db2.gz ATMNNFOQVJFUMY-HLTSFMKQSA-N 1 0 240.259 -1.394 20 0 BAADRO O=C([C@H]1C[NH2+]CCO1)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000877113532 590287750 /nfs/dbraw/zinc/28/77/50/590287750.db2.gz ATMNNFOQVJFUMY-IWSPIJDZSA-N 1 0 240.259 -1.394 20 0 BAADRO O=C([C@H]1CC[NH2+]1)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000877113539 590288051 /nfs/dbraw/zinc/28/80/51/590288051.db2.gz AVYGUMMBHSYDHU-BWZBUEFSSA-N 1 0 210.233 -1.020 20 0 BAADRO O=C(N1C[C@@H]2COC(=O)[C@@H]2C1)C1(O)C[NH2+]C1 ZINC000877113781 590287960 /nfs/dbraw/zinc/28/79/60/590287960.db2.gz FZWJTGFZPQFXNF-RNFRBKRXSA-N 1 0 226.232 -2.048 20 0 BAADRO COCC[NH2+]CC(=O)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000877114007 590287847 /nfs/dbraw/zinc/28/78/47/590287847.db2.gz KAQYLBKJWUZJMW-RKDXNWHRSA-N 1 0 242.275 -1.146 20 0 BAADRO COC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877167371 590295425 /nfs/dbraw/zinc/29/54/25/590295425.db2.gz WDYFYGHMGFYPMV-BQBZGAKWSA-N 1 0 213.237 -1.085 20 0 BAADRO O=C([C@@H]1COC(=O)N1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877168032 590295467 /nfs/dbraw/zinc/29/54/67/590295467.db2.gz DFKMPHXWBGIDRZ-ACZMJKKPSA-N 1 0 211.221 -1.333 20 0 BAADRO O=C(N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)C1(O)C[NH2+]C1 ZINC000877177492 590297233 /nfs/dbraw/zinc/29/72/33/590297233.db2.gz JJQZOQWJHFBTCO-RXKWGBCNSA-N 1 0 238.287 -1.140 20 0 BAADRO O=C(N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)C1(O)C[NH2+]C1 ZINC000877177493 590297107 /nfs/dbraw/zinc/29/71/07/590297107.db2.gz JJQZOQWJHFBTCO-SQXHDICFSA-N 1 0 238.287 -1.140 20 0 BAADRO O=C(N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)C1(O)C[NH2+]C1 ZINC000877177494 590297347 /nfs/dbraw/zinc/29/73/47/590297347.db2.gz JJQZOQWJHFBTCO-WLRJLXCNSA-N 1 0 238.287 -1.140 20 0 BAADRO CC[NH2+]CC(=O)NCCCS(=O)(=O)NC ZINC000877196348 590299411 /nfs/dbraw/zinc/29/94/11/590299411.db2.gz YOGVEGAKBLIQDA-UHFFFAOYSA-N 1 0 237.325 -1.349 20 0 BAADRO CN1C[C@H](C(=O)NC[C@H]2C[C@@H]([NH3+])C2)NC1=O ZINC000877242225 590302682 /nfs/dbraw/zinc/30/26/82/590302682.db2.gz JKVKQIYWSCGJTG-GJMOJQLCSA-N 1 0 226.280 -1.137 20 0 BAADRO CN1C[C@@H](C(=O)NC[C@H]2C[C@@H]([NH3+])C2)NC1=O ZINC000877242226 590302827 /nfs/dbraw/zinc/30/28/27/590302827.db2.gz JKVKQIYWSCGJTG-RNJXMRFFSA-N 1 0 226.280 -1.137 20 0 BAADRO CN1C[C@H](C(=O)NC[C@H]2C[C@H]([NH3+])C2)NC1=O ZINC000877243185 590302804 /nfs/dbraw/zinc/30/28/04/590302804.db2.gz JKVKQIYWSCGJTG-BWZBUEFSSA-N 1 0 226.280 -1.137 20 0 BAADRO CN1C[C@@H](C(=O)NC[C@H]2C[C@H]([NH3+])C2)NC1=O ZINC000877243186 590302666 /nfs/dbraw/zinc/30/26/66/590302666.db2.gz JKVKQIYWSCGJTG-FXQIFTODSA-N 1 0 226.280 -1.137 20 0 BAADRO CC1(C)C[C@@H](O)CN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000877251666 590303972 /nfs/dbraw/zinc/30/39/72/590303972.db2.gz TVIOXQNRWBEVDW-MRVPVSSYSA-N 1 0 228.292 -1.060 20 0 BAADRO CC1(C)C[C@H](O)CN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000877251667 590303814 /nfs/dbraw/zinc/30/38/14/590303814.db2.gz TVIOXQNRWBEVDW-QMMMGPOBSA-N 1 0 228.292 -1.060 20 0 BAADRO C[C@@H](NC(=O)C1(O)C[NH2+]C1)c1ccnn1C ZINC000877264764 590305087 /nfs/dbraw/zinc/30/50/87/590305087.db2.gz YHCPXGJIIBKJTL-SSDOTTSWSA-N 1 0 224.264 -1.068 20 0 BAADRO C[C@H](NC(=O)C1(O)C[NH2+]C1)c1ccnn1C ZINC000877264765 590304892 /nfs/dbraw/zinc/30/48/92/590304892.db2.gz YHCPXGJIIBKJTL-ZETCQYMHSA-N 1 0 224.264 -1.068 20 0 BAADRO [NH3+]CCC(=O)N1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000877268989 583306245 /nfs/dbraw/zinc/30/62/45/583306245.db2.gz ATKPDSGVTWTQDF-PSASIEDQSA-N 1 0 241.291 -1.159 20 0 BAADRO [NH3+]CCC(=O)N1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000877268990 583306271 /nfs/dbraw/zinc/30/62/71/583306271.db2.gz ATKPDSGVTWTQDF-SCZZXKLOSA-N 1 0 241.291 -1.159 20 0 BAADRO [NH3+]CCC(=O)N1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000877268991 583306251 /nfs/dbraw/zinc/30/62/51/583306251.db2.gz ATKPDSGVTWTQDF-WCBMZHEXSA-N 1 0 241.291 -1.159 20 0 BAADRO [NH3+]CCC(=O)N1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000877268992 583306379 /nfs/dbraw/zinc/30/63/79/583306379.db2.gz ATKPDSGVTWTQDF-WPRPVWTQSA-N 1 0 241.291 -1.159 20 0 BAADRO C[C@H]([NH3+])C(=O)N1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000877270861 590304732 /nfs/dbraw/zinc/30/47/32/590304732.db2.gz ROVCGXSTKJRTLL-CIUDSAMLSA-N 1 0 241.291 -1.160 20 0 BAADRO C[C@H]([NH3+])C(=O)N1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000877270862 590304960 /nfs/dbraw/zinc/30/49/60/590304960.db2.gz ROVCGXSTKJRTLL-DJLDLDEBSA-N 1 0 241.291 -1.160 20 0 BAADRO C[C@@H]([NH3+])C(=O)N1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000877270863 590304966 /nfs/dbraw/zinc/30/49/66/590304966.db2.gz ROVCGXSTKJRTLL-HLTSFMKQSA-N 1 0 241.291 -1.160 20 0 BAADRO C[C@@H]([NH3+])C(=O)N1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000877270864 590305242 /nfs/dbraw/zinc/30/52/42/590305242.db2.gz ROVCGXSTKJRTLL-HRDYMLBCSA-N 1 0 241.291 -1.160 20 0 BAADRO C[C@@H]([NH3+])C(=O)N1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000877270865 590305235 /nfs/dbraw/zinc/30/52/35/590305235.db2.gz ROVCGXSTKJRTLL-IWSPIJDZSA-N 1 0 241.291 -1.160 20 0 BAADRO C[C@@H]([NH3+])C(=O)N1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000877270866 590305033 /nfs/dbraw/zinc/30/50/33/590305033.db2.gz ROVCGXSTKJRTLL-VGMNWLOBSA-N 1 0 241.291 -1.160 20 0 BAADRO C[C@H]([NH3+])C(=O)N1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000877270867 590304815 /nfs/dbraw/zinc/30/48/15/590304815.db2.gz ROVCGXSTKJRTLL-XHNCKOQMSA-N 1 0 241.291 -1.160 20 0 BAADRO C[C@H]([NH3+])C(=O)N1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000877270868 590305126 /nfs/dbraw/zinc/30/51/26/590305126.db2.gz ROVCGXSTKJRTLL-YIZRAAEISA-N 1 0 241.291 -1.160 20 0 BAADRO C[NH2+]CC(=O)N1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000877271818 590305256 /nfs/dbraw/zinc/30/52/56/590305256.db2.gz XGGCQJNTJZBOEF-PSASIEDQSA-N 1 0 241.291 -1.288 20 0 BAADRO C[NH2+]CC(=O)N1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000877271824 590305195 /nfs/dbraw/zinc/30/51/95/590305195.db2.gz XGGCQJNTJZBOEF-SCZZXKLOSA-N 1 0 241.291 -1.288 20 0 BAADRO C[NH2+]CC(=O)N1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000877271826 590305529 /nfs/dbraw/zinc/30/55/29/590305529.db2.gz XGGCQJNTJZBOEF-WCBMZHEXSA-N 1 0 241.291 -1.288 20 0 BAADRO C[NH2+]CC(=O)N1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000877271828 590305701 /nfs/dbraw/zinc/30/57/01/590305701.db2.gz XGGCQJNTJZBOEF-WPRPVWTQSA-N 1 0 241.291 -1.288 20 0 BAADRO C[S@@](=N)(=O)N1CCN(C(=O)C[NH3+])CC1 ZINC000877297871 590308066 /nfs/dbraw/zinc/30/80/66/590308066.db2.gz BOFZGHWHXCUMIX-AWEZNQCLSA-N 1 0 220.298 -1.319 20 0 BAADRO C[S@](=N)(=O)N1CCN(C(=O)C[NH3+])CC1 ZINC000877297875 590308090 /nfs/dbraw/zinc/30/80/90/590308090.db2.gz BOFZGHWHXCUMIX-CQSZACIVSA-N 1 0 220.298 -1.319 20 0 BAADRO O=C(N1CCO[C@H](C(F)F)C1)C1(O)C[NH2+]C1 ZINC000877299876 590309280 /nfs/dbraw/zinc/30/92/80/590309280.db2.gz PDLYJSKUOLAHIG-LURJTMIESA-N 1 0 236.218 -1.187 20 0 BAADRO O=C(N1CCO[C@@H](C(F)F)C1)C1(O)C[NH2+]C1 ZINC000877299877 590308823 /nfs/dbraw/zinc/30/88/23/590308823.db2.gz PDLYJSKUOLAHIG-ZCFIWIBFSA-N 1 0 236.218 -1.187 20 0 BAADRO C[NH2+]CC(=O)N1CCN([S@](C)(=N)=O)CC1 ZINC000877300324 590309235 /nfs/dbraw/zinc/30/92/35/590309235.db2.gz WIXCVBDQELLHLD-HNNXBMFYSA-N 1 0 234.325 -1.058 20 0 BAADRO C[NH2+]CC(=O)N1CCN([S@@](C)(=N)=O)CC1 ZINC000877300325 590309250 /nfs/dbraw/zinc/30/92/50/590309250.db2.gz WIXCVBDQELLHLD-OAHLLOKOSA-N 1 0 234.325 -1.058 20 0 BAADRO O=C(N1CCCNC(=O)C1)C1(O)C[NH2+]C1 ZINC000877451335 590329561 /nfs/dbraw/zinc/32/95/61/590329561.db2.gz OLXHDEQWFIIWMK-UHFFFAOYSA-N 1 0 213.237 -2.331 20 0 BAADRO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCCNC(=O)C1 ZINC000877451657 590329622 /nfs/dbraw/zinc/32/96/22/590329622.db2.gz STHGCGRBKWNSRI-MBTKJCJQSA-N 1 0 223.276 -1.200 20 0 BAADRO CCN1CCN(C(=O)c2nnn(C)n2)CC1 ZINC000877909913 590445429 /nfs/dbraw/zinc/44/54/29/590445429.db2.gz LVGGGSLRZVWTQK-UHFFFAOYSA-N 1 0 224.268 -1.012 20 0 BAADRO CN(CCc1nnnn1C)CC(=O)NC1CC1 ZINC000877940010 590453185 /nfs/dbraw/zinc/45/31/85/590453185.db2.gz FLPOJJFFRFFUDC-UHFFFAOYSA-N 1 0 238.295 -1.037 20 0 BAADRO CN(CCn1cnnn1)CC(=O)NC1CC1 ZINC000877940354 590453072 /nfs/dbraw/zinc/45/30/72/590453072.db2.gz RASBZMFQVDXFQL-UHFFFAOYSA-N 1 0 224.268 -1.117 20 0 BAADRO CN(C)C(=O)CN(C)CCn1cnnn1 ZINC000877940749 590452773 /nfs/dbraw/zinc/45/27/73/590452773.db2.gz VHWSYIMWJMAKAU-UHFFFAOYSA-N 1 0 212.257 -1.307 20 0 BAADRO COCC[NH+]1CCN(CCn2cnnn2)CC1 ZINC000877950509 590455570 /nfs/dbraw/zinc/45/55/70/590455570.db2.gz MDHPLANQJRHASG-UHFFFAOYSA-N 1 0 240.311 -1.063 20 0 BAADRO CCNC(=O)CN(C)CCc1nnnn1C ZINC000877973972 590463465 /nfs/dbraw/zinc/46/34/65/590463465.db2.gz IDTGZSJGEIRWGI-UHFFFAOYSA-N 1 0 226.284 -1.180 20 0 BAADRO CCN(CCn1cnnn1)CC(=O)NC ZINC000877986396 590465556 /nfs/dbraw/zinc/46/55/56/590465556.db2.gz LKWTUHWPLHOOQN-UHFFFAOYSA-N 1 0 212.257 -1.259 20 0 BAADRO CCN(CCc1nnnn1C)CC(=O)NC ZINC000877986399 590465461 /nfs/dbraw/zinc/46/54/61/590465461.db2.gz LMHZQLVFKVYVCW-UHFFFAOYSA-N 1 0 226.284 -1.180 20 0 BAADRO CNC(=O)[C@H]1CCC[N@@H+]1CCn1cnnn1 ZINC000877990223 590467430 /nfs/dbraw/zinc/46/74/30/590467430.db2.gz BNOWOIVJJBQXRR-MRVPVSSYSA-N 1 0 224.268 -1.117 20 0 BAADRO CNC(=O)[C@@H]1CCC[N@@H+]1CCn1cnnn1 ZINC000877990224 590467859 /nfs/dbraw/zinc/46/78/59/590467859.db2.gz BNOWOIVJJBQXRR-QMMMGPOBSA-N 1 0 224.268 -1.117 20 0 BAADRO CNC(=O)[C@H]1CCC[N@@H+]1CCc1nnnn1C ZINC000877990928 590468093 /nfs/dbraw/zinc/46/80/93/590468093.db2.gz CKCDDUDZLOAOKW-MRVPVSSYSA-N 1 0 238.295 -1.037 20 0 BAADRO CNC(=O)[C@@H]1CCC[N@@H+]1CCc1nnnn1C ZINC000877990929 590467734 /nfs/dbraw/zinc/46/77/34/590467734.db2.gz CKCDDUDZLOAOKW-QMMMGPOBSA-N 1 0 238.295 -1.037 20 0 BAADRO C[C@@H]1C(=O)NCCN1CCc1nnnn1C ZINC000878040129 590478004 /nfs/dbraw/zinc/47/80/04/590478004.db2.gz HPNJGKDYQKJSPQ-SSDOTTSWSA-N 1 0 224.268 -1.427 20 0 BAADRO C[C@H]1C(=O)NCCN1CCc1nnnn1C ZINC000878040130 590478200 /nfs/dbraw/zinc/47/82/00/590478200.db2.gz HPNJGKDYQKJSPQ-ZETCQYMHSA-N 1 0 224.268 -1.427 20 0 BAADRO C[C@@H]1C(=O)NCCN1CCn1cnnn1 ZINC000878041353 590477885 /nfs/dbraw/zinc/47/78/85/590477885.db2.gz UDHUQISCJXVQKV-SSDOTTSWSA-N 1 0 210.241 -1.507 20 0 BAADRO C[C@H]1C(=O)NCCN1CCn1cnnn1 ZINC000878041377 590478600 /nfs/dbraw/zinc/47/86/00/590478600.db2.gz UDHUQISCJXVQKV-ZETCQYMHSA-N 1 0 210.241 -1.507 20 0 BAADRO CNC(=O)CC[N@H+](C)CCn1cnnn1 ZINC000878046375 590480104 /nfs/dbraw/zinc/48/01/04/590480104.db2.gz YFKFGAMSFNKPIS-UHFFFAOYSA-N 1 0 212.257 -1.259 20 0 BAADRO C[N@H+](CCn1cnnn1)CCN1CCOCC1 ZINC000878047358 590481599 /nfs/dbraw/zinc/48/15/99/590481599.db2.gz GCOUFBLEAYGADQ-UHFFFAOYSA-N 1 0 240.311 -1.063 20 0 BAADRO O=C1CC[N@H+](CCn2cnnn2)CCN1 ZINC000878050252 590474018 /nfs/dbraw/zinc/47/40/18/590474018.db2.gz SEQVIDADPVDLNS-UHFFFAOYSA-N 1 0 210.241 -1.505 20 0 BAADRO CC[C@@H]1C(=O)NCCN1CCc1nnnn1C ZINC000878118741 590499305 /nfs/dbraw/zinc/49/93/05/590499305.db2.gz FJIGEFMEXDIMII-MRVPVSSYSA-N 1 0 238.295 -1.037 20 0 BAADRO CC[C@H]1C(=O)NCCN1CCc1nnnn1C ZINC000878118742 590499506 /nfs/dbraw/zinc/49/95/06/590499506.db2.gz FJIGEFMEXDIMII-QMMMGPOBSA-N 1 0 238.295 -1.037 20 0 BAADRO CC[C@@H]1C(=O)NCCN1CCn1cnnn1 ZINC000878119886 590498634 /nfs/dbraw/zinc/49/86/34/590498634.db2.gz WINYHYWKMNNJOD-MRVPVSSYSA-N 1 0 224.268 -1.117 20 0 BAADRO CC[C@H]1C(=O)NCCN1CCn1cnnn1 ZINC000878119888 590499705 /nfs/dbraw/zinc/49/97/05/590499705.db2.gz WINYHYWKMNNJOD-QMMMGPOBSA-N 1 0 224.268 -1.117 20 0 BAADRO CN(CCn1cnnn1)[C@@H]1CCN(C)C1=O ZINC000878119984 590499123 /nfs/dbraw/zinc/49/91/23/590499123.db2.gz GXOQSMWGAISDEW-MRVPVSSYSA-N 1 0 224.268 -1.164 20 0 BAADRO CN(CCn1cnnn1)[C@H]1CCN(C)C1=O ZINC000878119989 590499428 /nfs/dbraw/zinc/49/94/28/590499428.db2.gz GXOQSMWGAISDEW-QMMMGPOBSA-N 1 0 224.268 -1.164 20 0 BAADRO CC(C)(O)C[C@H](O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000878155260 590508593 /nfs/dbraw/zinc/50/85/93/590508593.db2.gz FIYCMOKVAIMVNO-AEJSXWLSSA-N 1 0 233.308 -1.064 20 0 BAADRO CC(C)(O)C[C@@H](O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000878155261 590508562 /nfs/dbraw/zinc/50/85/62/590508562.db2.gz FIYCMOKVAIMVNO-KXUCPTDWSA-N 1 0 233.308 -1.064 20 0 BAADRO O[C@@H]1C[C@H](O)C[N@@H+](CCn2cnnn2)C1 ZINC000878156047 590509545 /nfs/dbraw/zinc/50/95/45/590509545.db2.gz NYQJWLQYGUXYKM-OCAPTIKFSA-N 1 0 213.241 -1.899 20 0 BAADRO CNC(=O)[C@H](C)C[N@H+](C)CCn1cnnn1 ZINC000878162086 590511604 /nfs/dbraw/zinc/51/16/04/590511604.db2.gz JVLUWUYQRKLLJD-MRVPVSSYSA-N 1 0 226.284 -1.013 20 0 BAADRO CNC(=O)[C@@H](C)C[N@H+](C)CCn1cnnn1 ZINC000878162119 590511985 /nfs/dbraw/zinc/51/19/85/590511985.db2.gz JVLUWUYQRKLLJD-QMMMGPOBSA-N 1 0 226.284 -1.013 20 0 BAADRO C[C@@H](CNC(=O)c1nnn(C)n1)[NH+](C)C ZINC000878198592 590522679 /nfs/dbraw/zinc/52/26/79/590522679.db2.gz SFPGLKOUMOFJFG-LURJTMIESA-N 1 0 212.257 -1.110 20 0 BAADRO C[C@H](CNC(=O)c1nnn(C)n1)[NH+](C)C ZINC000878198593 590522766 /nfs/dbraw/zinc/52/27/66/590522766.db2.gz SFPGLKOUMOFJFG-ZCFIWIBFSA-N 1 0 212.257 -1.110 20 0 BAADRO Cn1nnnc1CC[N@H+](C)CC(C)(CO)CO ZINC000878202015 590524406 /nfs/dbraw/zinc/52/44/06/590524406.db2.gz KLDZNSKWXCVWGU-UHFFFAOYSA-N 1 0 243.311 -1.325 20 0 BAADRO C[C@@H]1CC(=O)NCC[N@@H+]1CCc1nnnn1C ZINC000878317156 590542917 /nfs/dbraw/zinc/54/29/17/590542917.db2.gz NYMGZZHREFDAEG-MRVPVSSYSA-N 1 0 238.295 -1.037 20 0 BAADRO C[C@H]1CC(=O)NCC[N@@H+]1CCc1nnnn1C ZINC000878317157 590542643 /nfs/dbraw/zinc/54/26/43/590542643.db2.gz NYMGZZHREFDAEG-QMMMGPOBSA-N 1 0 238.295 -1.037 20 0 BAADRO C[C@@H]1CC(=O)NCC[N@@H+]1CCn1cnnn1 ZINC000878317953 590543845 /nfs/dbraw/zinc/54/38/45/590543845.db2.gz WMNHJMVAELIEPU-MRVPVSSYSA-N 1 0 224.268 -1.117 20 0 BAADRO C[C@H]1CC(=O)NCC[N@@H+]1CCn1cnnn1 ZINC000878317955 590544181 /nfs/dbraw/zinc/54/41/81/590544181.db2.gz WMNHJMVAELIEPU-QMMMGPOBSA-N 1 0 224.268 -1.117 20 0 BAADRO CN(C)C(=O)NCC[N@H+](C)CCn1cnnn1 ZINC000878336665 590549434 /nfs/dbraw/zinc/54/94/34/590549434.db2.gz MLPAMPYQVSGTPB-UHFFFAOYSA-N 1 0 241.299 -1.124 20 0 BAADRO Cn1nnc(C(=O)NCCNc2cc[nH+]cc2)n1 ZINC000878338291 590550319 /nfs/dbraw/zinc/55/03/19/590550319.db2.gz OUHPURSBCMCVNM-UHFFFAOYSA-N 1 0 247.262 -1.131 20 0 BAADRO C[N@H+](CCn1cnnn1)[C@@]1(CO)CCOC1 ZINC000878397717 590559608 /nfs/dbraw/zinc/55/96/08/590559608.db2.gz VPXCYFXDRZDALO-SECBINFHSA-N 1 0 227.268 -1.244 20 0 BAADRO C[N@H+](CCn1cnnn1)[C@]1(CO)CCOC1 ZINC000878397723 590559565 /nfs/dbraw/zinc/55/95/65/590559565.db2.gz VPXCYFXDRZDALO-VIFPVBQESA-N 1 0 227.268 -1.244 20 0 BAADRO c1nnnn1CC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000878429653 590565780 /nfs/dbraw/zinc/56/57/80/590565780.db2.gz LDLQUWZTXOGZEC-JTQLQIEISA-N 1 0 238.295 -1.311 20 0 BAADRO c1nnnn1CC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000878429654 590566083 /nfs/dbraw/zinc/56/60/83/590566083.db2.gz LDLQUWZTXOGZEC-SNVBAGLBSA-N 1 0 238.295 -1.311 20 0 BAADRO OC[C@@]12C[C@@H]1C[N@H+](CCn1cnnn1)C2 ZINC000878482522 590576877 /nfs/dbraw/zinc/57/68/77/590576877.db2.gz SVAXLLWWBSYQOH-BDAKNGLRSA-N 1 0 209.253 -1.013 20 0 BAADRO OC[C@]12C[C@H]1C[N@H+](CCn1cnnn1)C2 ZINC000878482523 590577118 /nfs/dbraw/zinc/57/71/18/590577118.db2.gz SVAXLLWWBSYQOH-DTWKUNHWSA-N 1 0 209.253 -1.013 20 0 BAADRO C[C@H](CO)[N@@H+](CCn1cnnn1)C[C@H](C)O ZINC000878485418 590578601 /nfs/dbraw/zinc/57/86/01/590578601.db2.gz MZNLKDVDNFUNLW-BDAKNGLRSA-N 1 0 229.284 -1.263 20 0 BAADRO C[C@@H](O)C[N@H+](CCn1cnnn1)[C@@H](C)CO ZINC000878485419 590578369 /nfs/dbraw/zinc/57/83/69/590578369.db2.gz MZNLKDVDNFUNLW-DTWKUNHWSA-N 1 0 229.284 -1.263 20 0 BAADRO C[C@H](O)C[N@H+](CCn1cnnn1)[C@@H](C)CO ZINC000878485420 590578343 /nfs/dbraw/zinc/57/83/43/590578343.db2.gz MZNLKDVDNFUNLW-IUCAKERBSA-N 1 0 229.284 -1.263 20 0 BAADRO C[C@@H](O)C[N@H+](CCn1cnnn1)[C@H](C)CO ZINC000878485421 590578169 /nfs/dbraw/zinc/57/81/69/590578169.db2.gz MZNLKDVDNFUNLW-RKDXNWHRSA-N 1 0 229.284 -1.263 20 0 BAADRO C[C@H](CO)[N@@H+](CCc1nnnn1C)C[C@H](C)O ZINC000878485776 590576291 /nfs/dbraw/zinc/57/62/91/590576291.db2.gz RCCFLNDJTPLZSO-BDAKNGLRSA-N 1 0 243.311 -1.184 20 0 BAADRO C[C@@H](O)C[N@H+](CCc1nnnn1C)[C@@H](C)CO ZINC000878485777 590577058 /nfs/dbraw/zinc/57/70/58/590577058.db2.gz RCCFLNDJTPLZSO-DTWKUNHWSA-N 1 0 243.311 -1.184 20 0 BAADRO C[C@H](O)C[N@H+](CCc1nnnn1C)[C@@H](C)CO ZINC000878485778 590577344 /nfs/dbraw/zinc/57/73/44/590577344.db2.gz RCCFLNDJTPLZSO-IUCAKERBSA-N 1 0 243.311 -1.184 20 0 BAADRO C[C@@H](O)C[N@H+](CCc1nnnn1C)[C@H](C)CO ZINC000878485779 590577200 /nfs/dbraw/zinc/57/72/00/590577200.db2.gz RCCFLNDJTPLZSO-RKDXNWHRSA-N 1 0 243.311 -1.184 20 0 BAADRO c1nnnn1CC[N@@H+]1CCc2nn[nH]c2C1 ZINC000878491961 645817624 /nfs/dbraw/zinc/81/76/24/645817624.db2.gz WZAPYOVSGYYHPG-UHFFFAOYSA-N 1 0 220.240 -1.151 20 0 BAADRO Cn1nnnc1CC[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000878543770 590589093 /nfs/dbraw/zinc/58/90/93/590589093.db2.gz INTUCXGHMIQYDM-JTQLQIEISA-N 1 0 238.295 -1.050 20 0 BAADRO Cn1nnnc1CC[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000878543771 590589388 /nfs/dbraw/zinc/58/93/88/590589388.db2.gz INTUCXGHMIQYDM-SNVBAGLBSA-N 1 0 238.295 -1.050 20 0 BAADRO C[C@@]1(C(N)=O)CC[N@H+](CCn2cnnn2)C1 ZINC000878543880 590589417 /nfs/dbraw/zinc/58/94/17/590589417.db2.gz JJSPVWUXATVWCE-SECBINFHSA-N 1 0 224.268 -1.130 20 0 BAADRO C[C@]1(C(N)=O)CC[N@H+](CCn2cnnn2)C1 ZINC000878543882 590589302 /nfs/dbraw/zinc/58/93/02/590589302.db2.gz JJSPVWUXATVWCE-VIFPVBQESA-N 1 0 224.268 -1.130 20 0 BAADRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CCn1cnnn1 ZINC000878555378 590591431 /nfs/dbraw/zinc/59/14/31/590591431.db2.gz WAGAQENMYOFQOH-HTQZYQBOSA-N 1 0 224.268 -1.213 20 0 BAADRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]CCn1cnnn1 ZINC000878555379 590591420 /nfs/dbraw/zinc/59/14/20/590591420.db2.gz WAGAQENMYOFQOH-JGVFFNPUSA-N 1 0 224.268 -1.213 20 0 BAADRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CCn1cnnn1 ZINC000878555380 590591494 /nfs/dbraw/zinc/59/14/94/590591494.db2.gz WAGAQENMYOFQOH-SFYZADRCSA-N 1 0 224.268 -1.213 20 0 BAADRO C[C@H]1CCNC(=O)[C@H]1[NH2+]CCn1cnnn1 ZINC000878555381 583381884 /nfs/dbraw/zinc/38/18/84/583381884.db2.gz WAGAQENMYOFQOH-YUMQZZPRSA-N 1 0 224.268 -1.213 20 0 BAADRO CC[N@H+](CCc1nnnn1C)[C@@H]1CCNC1=O ZINC000878555767 590591304 /nfs/dbraw/zinc/59/13/04/590591304.db2.gz GEURIXVUGLDPTN-MRVPVSSYSA-N 1 0 238.295 -1.037 20 0 BAADRO CC[N@H+](CCc1nnnn1C)[C@H]1CCNC1=O ZINC000878555768 590591545 /nfs/dbraw/zinc/59/15/45/590591545.db2.gz GEURIXVUGLDPTN-QMMMGPOBSA-N 1 0 238.295 -1.037 20 0 BAADRO CC[N@H+](CCn1cnnn1)[C@@H]1CCNC1=O ZINC000878555905 590591784 /nfs/dbraw/zinc/59/17/84/590591784.db2.gz JSRVTUPZUFSTNI-MRVPVSSYSA-N 1 0 224.268 -1.117 20 0 BAADRO CC[N@H+](CCn1cnnn1)[C@H]1CCNC1=O ZINC000878555906 590592336 /nfs/dbraw/zinc/59/23/36/590592336.db2.gz JSRVTUPZUFSTNI-QMMMGPOBSA-N 1 0 224.268 -1.117 20 0 BAADRO COCC[N@H+](C)CCNC(=O)c1nnn(C)n1 ZINC000878643296 590600621 /nfs/dbraw/zinc/60/06/21/590600621.db2.gz GETCAYAICWCHLT-UHFFFAOYSA-N 1 0 242.283 -1.482 20 0 BAADRO C[N@H+](CCn1cnnn1)C(C)(C)C(N)=O ZINC000878658704 590597035 /nfs/dbraw/zinc/59/70/35/590597035.db2.gz DTJYRTPDVRDEJV-UHFFFAOYSA-N 1 0 212.257 -1.131 20 0 BAADRO OCC(CO)[NH2+]C[C@@H](O)CC1(O)CCCC1 ZINC000878670654 590607575 /nfs/dbraw/zinc/60/75/75/590607575.db2.gz PDXNWYNYXHKUCR-JTQLQIEISA-N 1 0 233.308 -1.015 20 0 BAADRO OCC(CO)[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000878670655 590607218 /nfs/dbraw/zinc/60/72/18/590607218.db2.gz PDXNWYNYXHKUCR-SNVBAGLBSA-N 1 0 233.308 -1.015 20 0 BAADRO CO[C@@H]1C[N@H+](CCc2nnnn2C)C[C@H]1O ZINC000878681854 590608762 /nfs/dbraw/zinc/60/87/62/590608762.db2.gz GSROHRMOTPXVPN-HTQZYQBOSA-N 1 0 227.268 -1.556 20 0 BAADRO OCCOCC[N@H+](CCO)CCn1cnnn1 ZINC000878704891 645823205 /nfs/dbraw/zinc/82/32/05/645823205.db2.gz JIHCGVHTVCWPLK-UHFFFAOYSA-N 1 0 245.283 -2.024 20 0 BAADRO CO[C@@H]1COC[C@@H]1[NH2+]CCn1cnnn1 ZINC000878705710 590613204 /nfs/dbraw/zinc/61/32/04/590613204.db2.gz GFSYIGIERAYPJT-JGVFFNPUSA-N 1 0 213.241 -1.324 20 0 BAADRO CO[C@@H]1COC[C@@H]1[NH2+]CCc1nnnn1C ZINC000878706111 590611789 /nfs/dbraw/zinc/61/17/89/590611789.db2.gz QREWEPVSKFCLQD-JGVFFNPUSA-N 1 0 227.268 -1.244 20 0 BAADRO CC(=O)N[C@@H]1CC[N@H+](CCn2cnnn2)C1 ZINC000878720221 590616140 /nfs/dbraw/zinc/61/61/40/590616140.db2.gz JIHLFHKTZAMCRC-SECBINFHSA-N 1 0 224.268 -1.117 20 0 BAADRO CC(=O)N[C@H]1CC[N@H+](CCn2cnnn2)C1 ZINC000878720226 590615689 /nfs/dbraw/zinc/61/56/89/590615689.db2.gz JIHLFHKTZAMCRC-VIFPVBQESA-N 1 0 224.268 -1.117 20 0 BAADRO CNC(=O)[C@@H]1CC[N@H+](CCn2cnnn2)C1 ZINC000878720228 590615706 /nfs/dbraw/zinc/61/57/06/590615706.db2.gz JIHNPQFDECMFOG-MRVPVSSYSA-N 1 0 224.268 -1.259 20 0 BAADRO CNC(=O)[C@H]1CC[N@H+](CCn2cnnn2)C1 ZINC000878720230 590615778 /nfs/dbraw/zinc/61/57/78/590615778.db2.gz JIHNPQFDECMFOG-QMMMGPOBSA-N 1 0 224.268 -1.259 20 0 BAADRO CC1(C(N)=O)C[NH+](CCn2cnnn2)C1 ZINC000878757361 590618455 /nfs/dbraw/zinc/61/84/55/590618455.db2.gz JLJVLFRXXCLTBL-UHFFFAOYSA-N 1 0 210.241 -1.520 20 0 BAADRO Cn1nnnc1CC[NH+]1CC(C)(C(N)=O)C1 ZINC000878758787 590619349 /nfs/dbraw/zinc/61/93/49/590619349.db2.gz XOLKCRJSVPCLFF-UHFFFAOYSA-N 1 0 224.268 -1.440 20 0 BAADRO CO[C@@H]1COC[C@H]1[NH2+]CCn1cnnn1 ZINC000878760933 590619566 /nfs/dbraw/zinc/61/95/66/590619566.db2.gz GFSYIGIERAYPJT-HTQZYQBOSA-N 1 0 213.241 -1.324 20 0 BAADRO CC(=O)NCC[N@@H+](C)CCn1cnnn1 ZINC000878763280 590619750 /nfs/dbraw/zinc/61/97/50/590619750.db2.gz YDUJRIBBTHFEBU-UHFFFAOYSA-N 1 0 212.257 -1.259 20 0 BAADRO COC[C@@H]1C[C@@H](O)C[N@@H+]1CCn1cnnn1 ZINC000878805998 590625730 /nfs/dbraw/zinc/62/57/30/590625730.db2.gz VYUMDDWSNCGYOW-DTWKUNHWSA-N 1 0 227.268 -1.245 20 0 BAADRO COC[C@H]1C[C@@H](O)C[N@@H+]1CCn1cnnn1 ZINC000878805999 590625637 /nfs/dbraw/zinc/62/56/37/590625637.db2.gz VYUMDDWSNCGYOW-RKDXNWHRSA-N 1 0 227.268 -1.245 20 0 BAADRO OC[C@@H]1CC[C@@H](CO)[NH+]1CCn1cnnn1 ZINC000878880322 590638079 /nfs/dbraw/zinc/63/80/79/590638079.db2.gz BJRAQGILTYTCLN-IUCAKERBSA-N 1 0 227.268 -1.509 20 0 BAADRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CCn1cnnn1 ZINC000878916282 590650515 /nfs/dbraw/zinc/65/05/15/590650515.db2.gz VXGMLKNZZYYKTQ-JGVFFNPUSA-N 1 0 241.251 -1.407 20 0 BAADRO NC(=O)[C@H]1C[N@H+](CCF)C[C@H]1C(N)=O ZINC000878974080 590664904 /nfs/dbraw/zinc/66/49/04/590664904.db2.gz UOELPWRWWKWRPI-OLQVQODUSA-N 1 0 203.217 -1.526 20 0 BAADRO NC(=O)[C@@H]1C[NH+](CCF)C[C@H]1C(N)=O ZINC000878974081 590665327 /nfs/dbraw/zinc/66/53/27/590665327.db2.gz UOELPWRWWKWRPI-PHDIDXHHSA-N 1 0 203.217 -1.526 20 0 BAADRO NC(=O)[C@H]1C[NH+](CCF)C[C@@H]1C(N)=O ZINC000878974082 590665253 /nfs/dbraw/zinc/66/52/53/590665253.db2.gz UOELPWRWWKWRPI-WDSKDSINSA-N 1 0 203.217 -1.526 20 0 BAADRO CON(C)C(=O)C[N@@H+]1C[C@H](O)C[C@]1(C)CO ZINC000878983100 590668516 /nfs/dbraw/zinc/66/85/16/590668516.db2.gz GUEIMXNOMQRGDM-PSASIEDQSA-N 1 0 232.280 -1.176 20 0 BAADRO CON(C)C(=O)C[N@@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000878983101 590668749 /nfs/dbraw/zinc/66/87/49/590668749.db2.gz GUEIMXNOMQRGDM-SCZZXKLOSA-N 1 0 232.280 -1.176 20 0 BAADRO CON(C)C(=O)C[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000878983102 590667702 /nfs/dbraw/zinc/66/77/02/590667702.db2.gz GUEIMXNOMQRGDM-WCBMZHEXSA-N 1 0 232.280 -1.176 20 0 BAADRO CON(C)C(=O)C[N@@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000878983103 590667916 /nfs/dbraw/zinc/66/79/16/590667916.db2.gz GUEIMXNOMQRGDM-WPRPVWTQSA-N 1 0 232.280 -1.176 20 0 BAADRO C[N@H+](CCn1cnnn1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000879055228 590689105 /nfs/dbraw/zinc/68/91/05/590689105.db2.gz CKDUYVBDFIHCPO-OCAPTIKFSA-N 1 0 224.268 -1.131 20 0 BAADRO Cn1nnnc1CC[N@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000879055865 590689133 /nfs/dbraw/zinc/68/91/33/590689133.db2.gz MBKUASFEZKGUNM-OCAPTIKFSA-N 1 0 238.295 -1.052 20 0 BAADRO O=C1OC[C@@H]2C[N@H+](CCn3cnnn3)C[C@H]12 ZINC000879066372 590690424 /nfs/dbraw/zinc/69/04/24/590690424.db2.gz OCVZOHQDADAZAD-YUMQZZPRSA-N 1 0 223.236 -1.222 20 0 BAADRO COC[C@@](C)(CO)[NH2+]CC(=O)N(C)OC ZINC000879161563 590706238 /nfs/dbraw/zinc/70/62/38/590706238.db2.gz BBRSDZJTZAXNKU-SECBINFHSA-N 1 0 220.269 -1.007 20 0 BAADRO COC[C@](C)(CO)[NH2+]CC(=O)N(C)OC ZINC000879161564 590705775 /nfs/dbraw/zinc/70/57/75/590705775.db2.gz BBRSDZJTZAXNKU-VIFPVBQESA-N 1 0 220.269 -1.007 20 0 BAADRO CCNC(=O)C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879530590 590793149 /nfs/dbraw/zinc/79/31/49/590793149.db2.gz GOALRWHDWMYWNJ-OCAPTIKFSA-N 1 0 239.275 -1.331 20 0 BAADRO CN(C)C(=O)C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879531135 590793088 /nfs/dbraw/zinc/79/30/88/590793088.db2.gz WLRCQAIZKUWIDK-OCAPTIKFSA-N 1 0 239.275 -1.379 20 0 BAADRO CNC(=O)CC[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879531412 590792858 /nfs/dbraw/zinc/79/28/58/590792858.db2.gz DZUCDUFLMNINRK-OCAPTIKFSA-N 1 0 239.275 -1.331 20 0 BAADRO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879531548 590793249 /nfs/dbraw/zinc/79/32/49/590793249.db2.gz GWSMKFVNIMXYAH-GJMOJQLCSA-N 1 0 239.275 -1.203 20 0 BAADRO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879531715 590794253 /nfs/dbraw/zinc/79/42/53/590794253.db2.gz KLOBYLNDKDFDLP-LYFYHCNISA-N 1 0 225.248 -1.593 20 0 BAADRO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879531716 590794839 /nfs/dbraw/zinc/79/48/39/590794839.db2.gz KLOBYLNDKDFDLP-QYNIQEEDSA-N 1 0 225.248 -1.593 20 0 BAADRO CN1C(=O)[C@H]2C[N@H+](CCOCCO)C[C@H]2C1=O ZINC000879531773 590794541 /nfs/dbraw/zinc/79/45/41/590794541.db2.gz KRPFLOUIBVFMFG-DTORHVGOSA-N 1 0 242.275 -1.458 20 0 BAADRO COC[C@H](O)C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879531808 590794554 /nfs/dbraw/zinc/79/45/54/590794554.db2.gz LQENEXFBHNYUFT-HLTSFMKQSA-N 1 0 242.275 -1.460 20 0 BAADRO COC[C@@H](O)C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879531809 590794401 /nfs/dbraw/zinc/79/44/01/590794401.db2.gz LQENEXFBHNYUFT-XHNCKOQMSA-N 1 0 242.275 -1.460 20 0 BAADRO CN1C(=O)[C@H]2C[N@H+](CCCO)C[C@H]2C1=O ZINC000879532234 590795254 /nfs/dbraw/zinc/79/52/54/590795254.db2.gz QTDWEGQXOZEEOF-OCAPTIKFSA-N 1 0 212.249 -1.085 20 0 BAADRO CN1C(=O)[C@H]2C[N@H+](CC3OCCO3)C[C@H]2C1=O ZINC000879534759 590795288 /nfs/dbraw/zinc/79/52/88/590795288.db2.gz XFAWFEJNZJRTHG-OCAPTIKFSA-N 1 0 240.259 -1.094 20 0 BAADRO C[C@H](O)C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535095 590796629 /nfs/dbraw/zinc/79/66/29/590796629.db2.gz GEDWCSNLVDNCLK-BIIVOSGPSA-N 1 0 212.249 -1.086 20 0 BAADRO C[C@@H](O)C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535096 590796045 /nfs/dbraw/zinc/79/60/45/590796045.db2.gz GEDWCSNLVDNCLK-PRJMDXOYSA-N 1 0 212.249 -1.086 20 0 BAADRO CN1C(=O)[C@H]2C[N@H+](CCc3cn[nH]n3)C[C@H]2C1=O ZINC000879535588 590796226 /nfs/dbraw/zinc/79/62/26/590796226.db2.gz POXCVJNNSLTIMB-DTORHVGOSA-N 1 0 249.274 -1.106 20 0 BAADRO CON(C)C(=O)CC[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879609174 590828992 /nfs/dbraw/zinc/82/89/92/590828992.db2.gz PJPPCTJDVAUEDR-BDAKNGLRSA-N 1 0 232.280 -1.176 20 0 BAADRO CCOC(=O)COCC[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879609514 590828937 /nfs/dbraw/zinc/82/89/37/590828937.db2.gz YNVFPZNAUUJVCF-ZJUUUORDSA-N 1 0 247.291 -1.006 20 0 BAADRO CCOC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879610615 590830232 /nfs/dbraw/zinc/83/02/32/590830232.db2.gz UEQKKUAAIQFKMO-WCABBAIRSA-N 1 0 247.291 -1.272 20 0 BAADRO CCOC(=O)[C@@](C)(O)C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879610616 590829939 /nfs/dbraw/zinc/82/99/39/590829939.db2.gz UEQKKUAAIQFKMO-YWVKMMECSA-N 1 0 247.291 -1.272 20 0 BAADRO O[C@H](CN1CC[C@@H](O)[C@@H](O)C1)C[NH+]1CCCC1 ZINC000879612618 590830219 /nfs/dbraw/zinc/83/02/19/590830219.db2.gz HOKOCQKPTDHJMG-TUAOUCFPSA-N 1 0 244.335 -1.129 20 0 BAADRO O[C@@H](CN1CC[C@@H](O)[C@@H](O)C1)C[NH+]1CCCC1 ZINC000879612619 590830598 /nfs/dbraw/zinc/83/05/98/590830598.db2.gz HOKOCQKPTDHJMG-UTUOFQBUSA-N 1 0 244.335 -1.129 20 0 BAADRO COC(=O)CC[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879613700 590831282 /nfs/dbraw/zinc/83/12/82/590831282.db2.gz FSCCGHLMDYQPBU-SFYZADRCSA-N 1 0 203.238 -1.023 20 0 BAADRO C[C@@H](C[NH+](C)C)NC(=O)c1nnn(C)n1 ZINC000879982702 590903446 /nfs/dbraw/zinc/90/34/46/590903446.db2.gz HINMMCKFHOPUCV-LURJTMIESA-N 1 0 212.257 -1.110 20 0 BAADRO NC(=O)CC(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000879998204 590907288 /nfs/dbraw/zinc/90/72/88/590907288.db2.gz OBHJLFOQGMNGLB-MRVPVSSYSA-N 1 0 229.280 -1.565 20 0 BAADRO NC(=O)CC(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000879998205 590905953 /nfs/dbraw/zinc/90/59/53/590905953.db2.gz OBHJLFOQGMNGLB-QMMMGPOBSA-N 1 0 229.280 -1.565 20 0 BAADRO CNC(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000880070957 590916061 /nfs/dbraw/zinc/91/60/61/590916061.db2.gz PCKWKFMYLTZSFC-VHSXEESVSA-N 1 0 227.308 -1.127 20 0 BAADRO NC(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000880071137 590916239 /nfs/dbraw/zinc/91/62/39/590916239.db2.gz VBOORCUPVCWWJG-DTWKUNHWSA-N 1 0 213.281 -1.387 20 0 BAADRO CN(C)C(=O)CC[N@H+](C)CCS(N)(=O)=O ZINC000880082831 590922194 /nfs/dbraw/zinc/92/21/94/590922194.db2.gz PNPFTIFWHQSFMA-UHFFFAOYSA-N 1 0 237.325 -1.315 20 0 BAADRO CCNC(=O)CC[N@H+](C)CCS(N)(=O)=O ZINC000880083073 590921997 /nfs/dbraw/zinc/92/19/97/590921997.db2.gz USVUEXMBZZPNCQ-UHFFFAOYSA-N 1 0 237.325 -1.267 20 0 BAADRO C[C@@H](O)[C@@H](CO)NC(=O)[C@@H](C)[NH+](C)C ZINC000880277361 590981628 /nfs/dbraw/zinc/98/16/28/590981628.db2.gz QFSLSIXIGHZMMU-BWZBUEFSSA-N 1 0 204.270 -1.206 20 0 BAADRO C[C@@H](O)[C@@H](CO)NC(=O)[C@H](C)[NH+](C)C ZINC000880277367 590981479 /nfs/dbraw/zinc/98/14/79/590981479.db2.gz QFSLSIXIGHZMMU-XLPZGREQSA-N 1 0 204.270 -1.206 20 0 BAADRO O=C1CC[C@H]([N@@H+]2C[C@@H]3C[C@]3(O)C2)C(=O)N1 ZINC000880419294 591027671 /nfs/dbraw/zinc/02/76/71/591027671.db2.gz JNSLOAMQFJUPPL-BYULHYEWSA-N 1 0 210.233 -1.142 20 0 BAADRO O=C1CC[C@H]([N@@H+]2C[C@H]3C[C@@]3(O)C2)C(=O)N1 ZINC000880419296 591027638 /nfs/dbraw/zinc/02/76/38/591027638.db2.gz JNSLOAMQFJUPPL-MATHAZKKSA-N 1 0 210.233 -1.142 20 0 BAADRO Cn1nnnc1CC[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000880420220 591028547 /nfs/dbraw/zinc/02/85/47/591028547.db2.gz APDDGOKAAAYGOK-CBAPKCEASA-N 1 0 209.253 -1.181 20 0 BAADRO Cn1nnnc1CC[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000880420222 591028848 /nfs/dbraw/zinc/02/88/48/591028848.db2.gz APDDGOKAAAYGOK-VXNVDRBHSA-N 1 0 209.253 -1.181 20 0 BAADRO CO[C@@H]1COCC[C@H]1[N@H+](C)CC(=O)NC(N)=O ZINC000880427262 591033217 /nfs/dbraw/zinc/03/32/17/591033217.db2.gz ZMZDTDSJBXVPDV-HTQZYQBOSA-N 1 0 245.279 -1.083 20 0 BAADRO CO[C@@H]1COCC[C@@H]1[N@H+](C)CC(=O)NC(N)=O ZINC000880427264 591033338 /nfs/dbraw/zinc/03/33/38/591033338.db2.gz ZMZDTDSJBXVPDV-JGVFFNPUSA-N 1 0 245.279 -1.083 20 0 BAADRO CO[C@H]1COCC[C@H]1[N@H+](C)CC(=O)NC(N)=O ZINC000880427266 591032958 /nfs/dbraw/zinc/03/29/58/591032958.db2.gz ZMZDTDSJBXVPDV-SFYZADRCSA-N 1 0 245.279 -1.083 20 0 BAADRO CO[C@H]1COCC[C@@H]1[N@H+](C)CC(=O)NC(N)=O ZINC000880427267 591033572 /nfs/dbraw/zinc/03/35/72/591033572.db2.gz ZMZDTDSJBXVPDV-YUMQZZPRSA-N 1 0 245.279 -1.083 20 0 BAADRO NC(=O)NC(=O)CC[N@@H+]1CC=C[C@@H]1CO ZINC000880483188 591057304 /nfs/dbraw/zinc/05/73/04/591057304.db2.gz CCFCDXXWQWZRMA-SSDOTTSWSA-N 1 0 213.237 -1.196 20 0 BAADRO NC(=O)NC(=O)CC[N@@H+]1CC=C[C@H]1CO ZINC000880483189 591056584 /nfs/dbraw/zinc/05/65/84/591056584.db2.gz CCFCDXXWQWZRMA-ZETCQYMHSA-N 1 0 213.237 -1.196 20 0 BAADRO O=C(CN1CC=C[C@@H]1CO)N1CCNC1=O ZINC000880484744 591059475 /nfs/dbraw/zinc/05/94/75/591059475.db2.gz UOIXJWPSWYHUDR-MRVPVSSYSA-N 1 0 225.248 -1.229 20 0 BAADRO O=C(CN1CC=C[C@H]1CO)N1CCNC1=O ZINC000880484745 591057832 /nfs/dbraw/zinc/05/78/32/591057832.db2.gz UOIXJWPSWYHUDR-QMMMGPOBSA-N 1 0 225.248 -1.229 20 0 BAADRO CNC(=O)NC(=O)CN1CC=C[C@@H]1CO ZINC000880484930 591058819 /nfs/dbraw/zinc/05/88/19/591058819.db2.gz WCICYXBCWDJWFX-SSDOTTSWSA-N 1 0 213.237 -1.325 20 0 BAADRO CNC(=O)NC(=O)CN1CC=C[C@H]1CO ZINC000880484931 591059529 /nfs/dbraw/zinc/05/95/29/591059529.db2.gz WCICYXBCWDJWFX-ZETCQYMHSA-N 1 0 213.237 -1.325 20 0 BAADRO COC(=O)CNC(=O)CC[N@@H+]1CC=C[C@@H]1CO ZINC000880486960 591062350 /nfs/dbraw/zinc/06/23/50/591062350.db2.gz RUWJJZJOQKKDKI-SECBINFHSA-N 1 0 242.275 -1.102 20 0 BAADRO COC(=O)CNC(=O)CC[N@@H+]1CC=C[C@H]1CO ZINC000880486961 591064274 /nfs/dbraw/zinc/06/42/74/591064274.db2.gz RUWJJZJOQKKDKI-VIFPVBQESA-N 1 0 242.275 -1.102 20 0 BAADRO Cn1nnnc1CC[N@@H+]1CC=C[C@@H]1CO ZINC000880494668 591074350 /nfs/dbraw/zinc/07/43/50/591074350.db2.gz QVDGWXBEKJGQFV-MRVPVSSYSA-N 1 0 209.253 -1.015 20 0 BAADRO Cn1nnnc1CC[N@@H+]1CC=C[C@H]1CO ZINC000880494669 591074208 /nfs/dbraw/zinc/07/42/08/591074208.db2.gz QVDGWXBEKJGQFV-QMMMGPOBSA-N 1 0 209.253 -1.015 20 0 BAADRO CNC(=O)CC[N@@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880559385 591092198 /nfs/dbraw/zinc/09/21/98/591092198.db2.gz DBJAIARKRSHAFZ-JTQLQIEISA-N 1 0 230.264 -1.268 20 0 BAADRO CNC(=O)CC[N@@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880559386 591092611 /nfs/dbraw/zinc/09/26/11/591092611.db2.gz DBJAIARKRSHAFZ-SNVBAGLBSA-N 1 0 230.264 -1.268 20 0 BAADRO COC(=O)[C@@]1(O)CC[N@H+](CCCO)C1 ZINC000880559657 645836938 /nfs/dbraw/zinc/83/69/38/645836938.db2.gz PNWKBCAAVSDODV-SECBINFHSA-N 1 0 203.238 -1.021 20 0 BAADRO COC(=O)[C@]1(O)CC[N@H+](CCCO)C1 ZINC000880559658 645836407 /nfs/dbraw/zinc/83/64/07/645836407.db2.gz PNWKBCAAVSDODV-VIFPVBQESA-N 1 0 203.238 -1.021 20 0 BAADRO COC(=O)[C@]1(O)CC[N@H+](CCOCCO)C1 ZINC000880560611 591085564 /nfs/dbraw/zinc/08/55/64/591085564.db2.gz BWTMYIPKBOIYIV-JTQLQIEISA-N 1 0 233.264 -1.395 20 0 BAADRO COC[C@H](O)C[N@@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880562119 591091381 /nfs/dbraw/zinc/09/13/81/591091381.db2.gz TUZYMAGIEZDLSG-PSASIEDQSA-N 1 0 233.264 -1.397 20 0 BAADRO COC[C@H](O)C[N@@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880562120 591091249 /nfs/dbraw/zinc/09/12/49/591091249.db2.gz TUZYMAGIEZDLSG-SCZZXKLOSA-N 1 0 233.264 -1.397 20 0 BAADRO COC[C@@H](O)C[N@@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880562121 591091316 /nfs/dbraw/zinc/09/13/16/591091316.db2.gz TUZYMAGIEZDLSG-WCBMZHEXSA-N 1 0 233.264 -1.397 20 0 BAADRO COC[C@@H](O)C[N@@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880562122 591092555 /nfs/dbraw/zinc/09/25/55/591092555.db2.gz TUZYMAGIEZDLSG-WPRPVWTQSA-N 1 0 233.264 -1.397 20 0 BAADRO CCOC[C@@H](O)C[N@@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880562218 591094773 /nfs/dbraw/zinc/09/47/73/591094773.db2.gz WILWEZNOCNBYSS-GXSJLCMTSA-N 1 0 247.291 -1.006 20 0 BAADRO CCOC[C@H](O)C[N@@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880562219 591094943 /nfs/dbraw/zinc/09/49/43/591094943.db2.gz WILWEZNOCNBYSS-KOLCDFICSA-N 1 0 247.291 -1.006 20 0 BAADRO CCOC[C@H](O)C[N@@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880562220 591093618 /nfs/dbraw/zinc/09/36/18/591093618.db2.gz WILWEZNOCNBYSS-MWLCHTKSSA-N 1 0 247.291 -1.006 20 0 BAADRO CCOC[C@@H](O)C[N@@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880562221 591093863 /nfs/dbraw/zinc/09/38/63/591093863.db2.gz WILWEZNOCNBYSS-ONGXEEELSA-N 1 0 247.291 -1.006 20 0 BAADRO COC(=O)[C@@]1(O)CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC000880564036 591094024 /nfs/dbraw/zinc/09/40/24/591094024.db2.gz BRMZTLFZXLHIBB-GZMMTYOYSA-N 1 0 242.275 -1.125 20 0 BAADRO COC(=O)[C@]1(O)CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC000880564038 591093405 /nfs/dbraw/zinc/09/34/05/591093405.db2.gz BRMZTLFZXLHIBB-KCJUWKMLSA-N 1 0 242.275 -1.125 20 0 BAADRO COC(=O)[C@]1(O)CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC000880564040 591093498 /nfs/dbraw/zinc/09/34/98/591093498.db2.gz BRMZTLFZXLHIBB-KWQFWETISA-N 1 0 242.275 -1.125 20 0 BAADRO COC(=O)[C@@]1(O)CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC000880564042 591094580 /nfs/dbraw/zinc/09/45/80/591094580.db2.gz BRMZTLFZXLHIBB-LDYMZIIASA-N 1 0 242.275 -1.125 20 0 BAADRO COC(=O)[C@]1(O)CCN(Cc2cnn(C)n2)C1 ZINC000880564761 591094306 /nfs/dbraw/zinc/09/43/06/591094306.db2.gz FHVBGQRYPWBPNO-JTQLQIEISA-N 1 0 240.263 -1.075 20 0 BAADRO COC(=O)[C@@]1(O)CCN(Cc2cnn(C)n2)C1 ZINC000880564772 591095118 /nfs/dbraw/zinc/09/51/18/591095118.db2.gz FHVBGQRYPWBPNO-SNVBAGLBSA-N 1 0 240.263 -1.075 20 0 BAADRO COC(=O)[C@@]1(O)CC[N@H+](C[C@@](C)(O)C(C)=O)C1 ZINC000880565658 591095290 /nfs/dbraw/zinc/09/52/90/591095290.db2.gz OMBFQYBCDYBQBX-GHMZBOCLSA-N 1 0 245.275 -1.064 20 0 BAADRO COC(=O)[C@]1(O)CC[N@H+](C[C@@](C)(O)C(C)=O)C1 ZINC000880565659 591095586 /nfs/dbraw/zinc/09/55/86/591095586.db2.gz OMBFQYBCDYBQBX-MNOVXSKESA-N 1 0 245.275 -1.064 20 0 BAADRO COC(=O)[C@]1(O)CC[N@H+](C[C@](C)(O)C(C)=O)C1 ZINC000880565660 591097233 /nfs/dbraw/zinc/09/72/33/591097233.db2.gz OMBFQYBCDYBQBX-QWRGUYRKSA-N 1 0 245.275 -1.064 20 0 BAADRO COC(=O)[C@@]1(O)CC[N@H+](C[C@](C)(O)C(C)=O)C1 ZINC000880565661 591096035 /nfs/dbraw/zinc/09/60/35/591096035.db2.gz OMBFQYBCDYBQBX-WDEREUQCSA-N 1 0 245.275 -1.064 20 0 BAADRO COC(=O)[C@]1(O)CC[N@H+](C[C@@H](C)O)C1 ZINC000880566276 591096682 /nfs/dbraw/zinc/09/66/82/591096682.db2.gz XXKYSNOPJJZKKJ-APPZFPTMSA-N 1 0 203.238 -1.023 20 0 BAADRO COC(=O)[C@]1(O)CC[N@H+](C[C@H](C)O)C1 ZINC000880566277 591096030 /nfs/dbraw/zinc/09/60/30/591096030.db2.gz XXKYSNOPJJZKKJ-CBAPKCEASA-N 1 0 203.238 -1.023 20 0 BAADRO COC(=O)[C@@]1(O)CC[N@H+](C[C@H](C)O)C1 ZINC000880566278 591095348 /nfs/dbraw/zinc/09/53/48/591095348.db2.gz XXKYSNOPJJZKKJ-IONNQARKSA-N 1 0 203.238 -1.023 20 0 BAADRO COC(=O)[C@@]1(O)CC[N@H+](C[C@@H](C)O)C1 ZINC000880566279 591095729 /nfs/dbraw/zinc/09/57/29/591095729.db2.gz XXKYSNOPJJZKKJ-VXNVDRBHSA-N 1 0 203.238 -1.023 20 0 BAADRO COC(=O)[C@]1(O)CC[N@H+](CCc2c[nH]nn2)C1 ZINC000880566321 591097464 /nfs/dbraw/zinc/09/74/64/591097464.db2.gz ZGIUOLDHJRMSCZ-JTQLQIEISA-N 1 0 240.263 -1.043 20 0 BAADRO COC(=O)[C@@]1(O)CC[N@H+](CCc2c[nH]nn2)C1 ZINC000880566322 591096191 /nfs/dbraw/zinc/09/61/91/591096191.db2.gz ZGIUOLDHJRMSCZ-SNVBAGLBSA-N 1 0 240.263 -1.043 20 0 BAADRO COC(=O)[C@@]1(O)CC[N@H+](CCn2cnnn2)C1 ZINC000880567486 591095567 /nfs/dbraw/zinc/09/55/67/591095567.db2.gz IIJBCRXBEJAVHW-SECBINFHSA-N 1 0 241.251 -1.717 20 0 BAADRO COC(=O)[C@]1(O)CC[N@H+](CCn2cnnn2)C1 ZINC000880567487 591095420 /nfs/dbraw/zinc/09/54/20/591095420.db2.gz IIJBCRXBEJAVHW-VIFPVBQESA-N 1 0 241.251 -1.717 20 0 BAADRO CN(CC1C[NH+](C)C1)C(=O)c1nnn(C)n1 ZINC000880683227 591123337 /nfs/dbraw/zinc/12/33/37/591123337.db2.gz HZSXQPBQUNRPON-UHFFFAOYSA-N 1 0 224.268 -1.156 20 0 BAADRO CC[N@@H+]1CC[C@@H]1CNC(=O)CNC(N)=O ZINC000882480995 591356509 /nfs/dbraw/zinc/35/65/09/591356509.db2.gz OGIJLMXTAVFAMV-SSDOTTSWSA-N 1 0 214.269 -1.135 20 0 BAADRO CC[N@@H+]1CC[C@H]1CNC(=O)CNC(N)=O ZINC000882480996 591355945 /nfs/dbraw/zinc/35/59/45/591355945.db2.gz OGIJLMXTAVFAMV-ZETCQYMHSA-N 1 0 214.269 -1.135 20 0 BAADRO C[C@H](C(=O)NCC1(S(N)(=O)=O)CC1)[NH+](C)C ZINC000882805810 591444932 /nfs/dbraw/zinc/44/49/32/591444932.db2.gz WPHWBSPRMKGNOH-SSDOTTSWSA-N 1 0 249.336 -1.126 20 0 BAADRO C[C@@H](C(=O)NCC1(S(N)(=O)=O)CC1)[NH+](C)C ZINC000882805811 591444777 /nfs/dbraw/zinc/44/47/77/591444777.db2.gz WPHWBSPRMKGNOH-ZETCQYMHSA-N 1 0 249.336 -1.126 20 0 BAADRO COC(=O)[C@]1(O)CCN(C(=O)C[NH+](C)C)C1 ZINC000882848934 591454904 /nfs/dbraw/zinc/45/49/04/591454904.db2.gz UYNKSPCAIQWARW-JTQLQIEISA-N 1 0 230.264 -1.316 20 0 BAADRO COC(=O)[C@@]1(O)CCN(C(=O)C[NH+](C)C)C1 ZINC000882848935 591454536 /nfs/dbraw/zinc/45/45/36/591454536.db2.gz UYNKSPCAIQWARW-SNVBAGLBSA-N 1 0 230.264 -1.316 20 0 BAADRO Cn1[nH]cnc1=NCC[N@H+](C)CCOCCO ZINC000882950778 591482729 /nfs/dbraw/zinc/48/27/29/591482729.db2.gz AKERGJKWNLKMPG-UHFFFAOYSA-N 1 0 243.311 -1.410 20 0 BAADRO NC(=O)[C@@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)CCO1 ZINC000883421102 591656011 /nfs/dbraw/zinc/65/60/11/591656011.db2.gz BSWYBESFGQSPOO-CIUDSAMLSA-N 1 0 231.271 -1.128 20 0 BAADRO NC(=O)[C@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)CCO1 ZINC000883421103 591656013 /nfs/dbraw/zinc/65/60/13/591656013.db2.gz BSWYBESFGQSPOO-XHNCKOQMSA-N 1 0 231.271 -1.128 20 0 BAADRO [NH3+]CCN(CCO)CCn1cnnn1 ZINC000883424852 591658594 /nfs/dbraw/zinc/65/85/94/591658594.db2.gz FNVQVOWFCDIJKB-UHFFFAOYSA-N 1 0 200.246 -2.074 20 0 BAADRO C[NH2+]CCN(C)CCCS(N)(=O)=O ZINC000883429296 591660293 /nfs/dbraw/zinc/66/02/93/591660293.db2.gz RQSYQNZZCPXMKT-UHFFFAOYSA-N 1 0 209.315 -1.184 20 0 BAADRO C[C@@H]([NH3+])CN(C)CCCS(N)(=O)=O ZINC000883438226 591667352 /nfs/dbraw/zinc/66/73/52/591667352.db2.gz NWONCNAGAQEANP-SSDOTTSWSA-N 1 0 209.315 -1.056 20 0 BAADRO C[C@H]([NH3+])CN(C)CCCS(N)(=O)=O ZINC000883438227 591667522 /nfs/dbraw/zinc/66/75/22/591667522.db2.gz NWONCNAGAQEANP-ZETCQYMHSA-N 1 0 209.315 -1.056 20 0 BAADRO CN(CCO)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000883652274 591709906 /nfs/dbraw/zinc/70/99/06/591709906.db2.gz INSHNKGPUNGSMS-VIFPVBQESA-N 1 0 243.307 -1.223 20 0 BAADRO [NH3+]CCNC(=O)CN1CCCCS1(=O)=O ZINC000884005808 591794099 /nfs/dbraw/zinc/79/40/99/591794099.db2.gz VRLLIDODFOVMDV-UHFFFAOYSA-N 1 0 235.309 -1.513 20 0 BAADRO [NH3+]CCCNC(=O)CN1CCCCS1(=O)=O ZINC000884008124 591795794 /nfs/dbraw/zinc/79/57/94/591795794.db2.gz CUIOBTRRFBCXRA-UHFFFAOYSA-N 1 0 249.336 -1.123 20 0 BAADRO C[NH2+]CCNC(=O)CN1CCCCS1(=O)=O ZINC000884023268 591803692 /nfs/dbraw/zinc/80/36/92/591803692.db2.gz HIPCBABWVDDEBS-UHFFFAOYSA-N 1 0 249.336 -1.252 20 0 BAADRO NC(=O)[C@@H]1CN(C(=O)[C@H]([NH3+])CC2CC2)CCO1 ZINC000884115501 591854176 /nfs/dbraw/zinc/85/41/76/591854176.db2.gz UIZAXQYHMYLUQZ-BDAKNGLRSA-N 1 0 241.291 -1.174 20 0 BAADRO NC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])CC2CC2)CCO1 ZINC000884115502 591854090 /nfs/dbraw/zinc/85/40/90/591854090.db2.gz UIZAXQYHMYLUQZ-DTWKUNHWSA-N 1 0 241.291 -1.174 20 0 BAADRO NC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])CC2CC2)CCO1 ZINC000884115503 591854300 /nfs/dbraw/zinc/85/43/00/591854300.db2.gz UIZAXQYHMYLUQZ-IUCAKERBSA-N 1 0 241.291 -1.174 20 0 BAADRO NC(=O)[C@H]1CN(C(=O)[C@H]([NH3+])CC2CC2)CCO1 ZINC000884115504 591854279 /nfs/dbraw/zinc/85/42/79/591854279.db2.gz UIZAXQYHMYLUQZ-RKDXNWHRSA-N 1 0 241.291 -1.174 20 0 BAADRO C[C@@H](C[NH3+])NC(=O)CN1CCCCS1(=O)=O ZINC000884269034 645871769 /nfs/dbraw/zinc/87/17/69/645871769.db2.gz APMGBIOCBHDWOF-QMMMGPOBSA-N 1 0 249.336 -1.125 20 0 BAADRO C[C@@H]([NH3+])CNC(=O)CN1CCCCS1(=O)=O ZINC000884275330 591891113 /nfs/dbraw/zinc/89/11/13/591891113.db2.gz JPJFXMAPVDBPLZ-MRVPVSSYSA-N 1 0 249.336 -1.125 20 0 BAADRO C[C@H]([NH3+])CNC(=O)CN1CCCCS1(=O)=O ZINC000884275331 591890883 /nfs/dbraw/zinc/89/08/83/591890883.db2.gz JPJFXMAPVDBPLZ-QMMMGPOBSA-N 1 0 249.336 -1.125 20 0 BAADRO COC(=O)[C@H](C)N(C)C(=O)[C@H](C[NH3+])OC ZINC000884315744 591902046 /nfs/dbraw/zinc/90/20/46/591902046.db2.gz ZJMVQWVSZIGNJD-BQBZGAKWSA-N 1 0 218.253 -1.020 20 0 BAADRO CN(CC[NH3+])C(=O)CN1CCCCS1(=O)=O ZINC000884341812 591907037 /nfs/dbraw/zinc/90/70/37/591907037.db2.gz ITJALGMOLUSQLB-UHFFFAOYSA-N 1 0 249.336 -1.171 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)N(C)C[C@@H]1COCCO1 ZINC000884406455 591926428 /nfs/dbraw/zinc/92/64/28/591926428.db2.gz VLZRFUJOIOKTLH-BDAKNGLRSA-N 1 0 232.280 -1.166 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)N(C)C[C@H]1COCCO1 ZINC000884406456 591926952 /nfs/dbraw/zinc/92/69/52/591926952.db2.gz VLZRFUJOIOKTLH-IUCAKERBSA-N 1 0 232.280 -1.166 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)N[C@@H](C)C(=O)N(C)OC ZINC000884444238 591936869 /nfs/dbraw/zinc/93/68/69/591936869.db2.gz CSBHEACRQFXMAY-BQBZGAKWSA-N 1 0 233.268 -1.515 20 0 BAADRO CO[C@@H](C[NH3+])C(=O)N[C@H](C)C(=O)N(C)OC ZINC000884445037 591936864 /nfs/dbraw/zinc/93/68/64/591936864.db2.gz CSBHEACRQFXMAY-RQJHMYQMSA-N 1 0 233.268 -1.515 20 0 BAADRO CCOCCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884500965 591958985 /nfs/dbraw/zinc/95/89/85/591958985.db2.gz UDLFDSGVRGSQSN-IUCAKERBSA-N 1 0 241.291 -1.288 20 0 BAADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCOC1 ZINC000884604282 591993494 /nfs/dbraw/zinc/99/34/94/591993494.db2.gz CZECUSMASIMQRF-DTWKUNHWSA-N 1 0 241.291 -1.159 20 0 BAADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CCOC1 ZINC000884604283 591993073 /nfs/dbraw/zinc/99/30/73/591993073.db2.gz CZECUSMASIMQRF-RKDXNWHRSA-N 1 0 241.291 -1.159 20 0 BAADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CCOC1 ZINC000884604816 591993284 /nfs/dbraw/zinc/99/32/84/591993284.db2.gz PKDDCAXRWLJBIA-HLTSFMKQSA-N 1 0 241.291 -1.160 20 0 BAADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CCOC1 ZINC000884604817 591993147 /nfs/dbraw/zinc/99/31/47/591993147.db2.gz PKDDCAXRWLJBIA-HRDYMLBCSA-N 1 0 241.291 -1.160 20 0 BAADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CCOC1 ZINC000884604818 591993066 /nfs/dbraw/zinc/99/30/66/591993066.db2.gz PKDDCAXRWLJBIA-IWSPIJDZSA-N 1 0 241.291 -1.160 20 0 BAADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CCOC1 ZINC000884604819 591993496 /nfs/dbraw/zinc/99/34/96/591993496.db2.gz PKDDCAXRWLJBIA-VGMNWLOBSA-N 1 0 241.291 -1.160 20 0 BAADRO O=C(N[C@H]1CCOC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884605092 591993288 /nfs/dbraw/zinc/99/32/88/591993288.db2.gz VNSJJXOAKSWLOT-CIUDSAMLSA-N 1 0 239.275 -1.536 20 0 BAADRO O=C(N[C@@H]1CCOC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884605093 591993313 /nfs/dbraw/zinc/99/33/13/591993313.db2.gz VNSJJXOAKSWLOT-VGMNWLOBSA-N 1 0 239.275 -1.536 20 0 BAADRO COCCCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884652510 592003843 /nfs/dbraw/zinc/00/38/43/592003843.db2.gz VTBNOQIWZVHTGJ-IUCAKERBSA-N 1 0 241.291 -1.288 20 0 BAADRO O=C(NCc1cc[nH]n1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884669525 592009612 /nfs/dbraw/zinc/00/96/12/592009612.db2.gz YMRGSZKYXUBSMH-IUCAKERBSA-N 1 0 249.274 -1.401 20 0 BAADRO [NH3+]CCNC(=O)C(=O)N1C[C@@H]2CSC[C@@H]2C1 ZINC000884673272 592007523 /nfs/dbraw/zinc/00/75/23/592007523.db2.gz SAFNUPRCXOKYPR-OCAPTIKFSA-N 1 0 243.332 -1.117 20 0 BAADRO CC(C)OCCNC(=O)C(=O)NCCC[NH3+] ZINC000884673442 592009135 /nfs/dbraw/zinc/00/91/35/592009135.db2.gz WUGXMIJPUMFKDU-UHFFFAOYSA-N 1 0 231.296 -1.007 20 0 BAADRO CC(C)OCCNC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000884684969 592010766 /nfs/dbraw/zinc/01/07/66/592010766.db2.gz ULFNQQGUOADWBH-MRVPVSSYSA-N 1 0 231.296 -1.009 20 0 BAADRO CC(C)OCCNC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000884684970 592011188 /nfs/dbraw/zinc/01/11/88/592011188.db2.gz ULFNQQGUOADWBH-QMMMGPOBSA-N 1 0 231.296 -1.009 20 0 BAADRO C[NH2+]CCNC(=O)C(=O)NCCOC(C)C ZINC000884686380 592011500 /nfs/dbraw/zinc/01/15/00/592011500.db2.gz GZULCYTYGXHUME-UHFFFAOYSA-N 1 0 231.296 -1.137 20 0 BAADRO CN(CCCF)C(=O)C(=O)NC1C[NH2+]C1 ZINC000884693018 592012564 /nfs/dbraw/zinc/01/25/64/592012564.db2.gz IKQBDOFWCYTCTI-UHFFFAOYSA-N 1 0 217.244 -1.108 20 0 BAADRO CC(C)OCCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000884693098 592012766 /nfs/dbraw/zinc/01/27/66/592012766.db2.gz LXSBJZGXLJMTRA-UHFFFAOYSA-N 1 0 229.280 -1.384 20 0 BAADRO CN(Cc1ncc[nH]1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000884693384 592013021 /nfs/dbraw/zinc/01/30/21/592013021.db2.gz XSLQHVOYOPFHRR-UHFFFAOYSA-N 1 0 237.263 -1.544 20 0 BAADRO CC(C)OCCNC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000884704537 592013036 /nfs/dbraw/zinc/01/30/36/592013036.db2.gz KHPWBJHZCCOTEX-MRVPVSSYSA-N 1 0 231.296 -1.009 20 0 BAADRO CC(C)OCCNC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000884705194 592012686 /nfs/dbraw/zinc/01/26/86/592012686.db2.gz KHPWBJHZCCOTEX-QMMMGPOBSA-N 1 0 231.296 -1.009 20 0 BAADRO C[N@H+](CCO)CCNc1nccn2nnnc12 ZINC000884824671 592021988 /nfs/dbraw/zinc/02/19/88/592021988.db2.gz HACAXNOEBIJHDV-UHFFFAOYSA-N 1 0 237.267 -1.145 20 0 BAADRO CC(C)OCCNC(=O)C(=O)N(C)CC[NH3+] ZINC000884984242 592031864 /nfs/dbraw/zinc/03/18/64/592031864.db2.gz SXCNUDGAAGPMBZ-UHFFFAOYSA-N 1 0 231.296 -1.055 20 0 BAADRO CC(C)([NH3+])CCNC(=O)C(=O)N1CC(CO)C1 ZINC000885196493 592057179 /nfs/dbraw/zinc/05/71/79/592057179.db2.gz CRVIKWUCPSEZOO-UHFFFAOYSA-N 1 0 243.307 -1.319 20 0 BAADRO CNS(=O)(=O)NCC[N@H+](C)CCO ZINC000885803920 592102134 /nfs/dbraw/zinc/10/21/34/592102134.db2.gz BDVDBXRHGNIHRG-UHFFFAOYSA-N 1 0 211.287 -2.036 20 0 BAADRO CCCNS(=O)(=O)NCC[N@H+](C)CCO ZINC000885804139 592102254 /nfs/dbraw/zinc/10/22/54/592102254.db2.gz GQNDVFMCVKFVHF-UHFFFAOYSA-N 1 0 239.341 -1.256 20 0 BAADRO CCN(C)S(=O)(=O)NCC[N@H+](C)CCO ZINC000885805265 592102088 /nfs/dbraw/zinc/10/20/88/592102088.db2.gz GLFOGLDRGYHLML-UHFFFAOYSA-N 1 0 239.341 -1.303 20 0 BAADRO CCNS(=O)(=O)NCC[N@H+](C)CCO ZINC000885805277 592102268 /nfs/dbraw/zinc/10/22/68/592102268.db2.gz HBTFITZYUKRYSY-UHFFFAOYSA-N 1 0 225.314 -1.646 20 0 BAADRO CC(C)NS(=O)(=O)NCC[N@H+](C)CCO ZINC000885805671 592102209 /nfs/dbraw/zinc/10/22/09/592102209.db2.gz WSUJLLJOWIDIEL-UHFFFAOYSA-N 1 0 239.341 -1.257 20 0 BAADRO O=C(C[N@@H+]1C[C@@H]2C[C@@H]2C1)N1CCNC(=O)C1 ZINC000886327904 592208824 /nfs/dbraw/zinc/20/88/24/592208824.db2.gz VIDGYMQCROAHHO-DTORHVGOSA-N 1 0 223.276 -1.104 20 0 BAADRO Cn1nnnc1CC[N@H+](C)[C@@H]1COC[C@H]1O ZINC000886519664 592244289 /nfs/dbraw/zinc/24/42/89/592244289.db2.gz ZWUKOJQYXICVIC-HTQZYQBOSA-N 1 0 227.268 -1.556 20 0 BAADRO NS(=O)(=O)CC[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000886579285 592267697 /nfs/dbraw/zinc/26/76/97/592267697.db2.gz HVQWWFAMFCNSMA-YIZRAAEISA-N 1 0 234.321 -1.022 20 0 BAADRO [NH3+]CCN(Cc1cc[nH]n1)C[C@@H](O)CO ZINC000886841034 592360452 /nfs/dbraw/zinc/36/04/52/592360452.db2.gz AGZJMZROJFRJFU-SECBINFHSA-N 1 0 214.269 -1.476 20 0 BAADRO [NH3+]CCN(Cc1cc[nH]n1)C[C@H](O)CO ZINC000886841035 592361404 /nfs/dbraw/zinc/36/14/04/592361404.db2.gz AGZJMZROJFRJFU-VIFPVBQESA-N 1 0 214.269 -1.476 20 0 BAADRO Cc1c[nH]nc1CN(CC[NH3+])C[C@@H](O)CO ZINC000886841842 592364118 /nfs/dbraw/zinc/36/41/18/592364118.db2.gz XZJDNEULBAJCIH-SECBINFHSA-N 1 0 228.296 -1.168 20 0 BAADRO Cc1c[nH]nc1CN(CC[NH3+])C[C@H](O)CO ZINC000886841843 592362726 /nfs/dbraw/zinc/36/27/26/592362726.db2.gz XZJDNEULBAJCIH-VIFPVBQESA-N 1 0 228.296 -1.168 20 0 BAADRO CCN(C(=O)C(=O)N(C)CCO)[C@@H]1CC[NH2+]C1 ZINC000887066666 592434183 /nfs/dbraw/zinc/43/41/83/592434183.db2.gz QOMUBEQOYKKMIC-SECBINFHSA-N 1 0 243.307 -1.353 20 0 BAADRO CCN(C(=O)C(=O)N(C)CCO)[C@H]1CC[NH2+]C1 ZINC000887066667 592433963 /nfs/dbraw/zinc/43/39/63/592433963.db2.gz QOMUBEQOYKKMIC-VIFPVBQESA-N 1 0 243.307 -1.353 20 0 BAADRO CN(CCO)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000887082993 592437426 /nfs/dbraw/zinc/43/74/26/592437426.db2.gz MOWGFJHHDJQPAR-MRVPVSSYSA-N 1 0 229.280 -1.613 20 0 BAADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCOCC1 ZINC000887083209 592437159 /nfs/dbraw/zinc/43/71/59/592437159.db2.gz SZPRRWSXQNHPJH-SECBINFHSA-N 1 0 241.291 -1.205 20 0 BAADRO C[C@H](O)CN(C)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000887086458 592437039 /nfs/dbraw/zinc/43/70/39/592437039.db2.gz NWNAPIDPBPOSCT-DTWKUNHWSA-N 1 0 243.307 -1.225 20 0 BAADRO C[C@@H](O)CN(C)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000887086459 592437512 /nfs/dbraw/zinc/43/75/12/592437512.db2.gz NWNAPIDPBPOSCT-RKDXNWHRSA-N 1 0 243.307 -1.225 20 0 BAADRO CS(=O)(=O)NCCNC(=[NH2+])NCC(F)F ZINC000887347080 592484401 /nfs/dbraw/zinc/48/44/01/592484401.db2.gz FNKBICIOVQYTTB-UHFFFAOYSA-N 1 0 244.267 -1.085 20 0 BAADRO [NH2+]=C(NCCN1C(=O)CNC1=O)NCC(F)F ZINC000887355298 592487010 /nfs/dbraw/zinc/48/70/10/592487010.db2.gz KUIZSLQTOKDTHB-UHFFFAOYSA-N 1 0 249.221 -1.083 20 0 BAADRO [NH2+]=C(NCCN1CCNC(=O)C1)NCC1CC1 ZINC000887356561 592488679 /nfs/dbraw/zinc/48/86/79/592488679.db2.gz HOZNUVDTHRERJC-UHFFFAOYSA-N 1 0 239.323 -1.058 20 0 BAADRO [NH2+]=C(NCCN1CCNC(=O)C1)NCC(F)F ZINC000887356867 592488125 /nfs/dbraw/zinc/48/81/25/592488125.db2.gz SUDHMJFTQJNQNN-UHFFFAOYSA-N 1 0 249.265 -1.203 20 0 BAADRO Cn1[nH]cnc1=NC(=O)NCC[N@H+](C)CCO ZINC000887917411 592558767 /nfs/dbraw/zinc/55/87/67/592558767.db2.gz FRGKWPPVNFOHHJ-UHFFFAOYSA-N 1 0 242.283 -1.717 20 0 BAADRO C[N@@H+]1C[C@@H]2CN(C(=O)C(N)=O)C[C@]2(C)C1 ZINC000887923006 592560104 /nfs/dbraw/zinc/56/01/04/592560104.db2.gz JWUSEIDPHXHKFG-XCBNKYQSSA-N 1 0 211.265 -1.118 20 0 BAADRO Cn1nncc1NC(=O)NCC[N@H+](C)CCO ZINC000888116744 583966768 /nfs/dbraw/zinc/96/67/68/583966768.db2.gz SBYRRJKKPFNEOZ-UHFFFAOYSA-N 1 0 242.283 -1.139 20 0 BAADRO Cn1cc(NC(=O)NCC[N@H+](C)CCO)nn1 ZINC000888181032 636690137 /nfs/dbraw/zinc/69/01/37/636690137.db2.gz LHQMLTSNZFAGKG-UHFFFAOYSA-N 1 0 242.283 -1.139 20 0 BAADRO Cn1cnc(NC(=O)NCC[N@H+](C)CCO)n1 ZINC000888251938 583799882 /nfs/dbraw/zinc/79/98/82/583799882.db2.gz TYBIJMZASNFWTF-UHFFFAOYSA-N 1 0 242.283 -1.139 20 0 BAADRO CN1CCN(C(=O)CO)CC[N@H+](C)CC1 ZINC000888988954 582860273 /nfs/dbraw/zinc/86/02/73/582860273.db2.gz WHPGRPUHRNGPJD-UHFFFAOYSA-N 1 0 215.297 -1.316 20 0 BAADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CC[C@@H]1CO ZINC000889144692 582844434 /nfs/dbraw/zinc/84/44/34/582844434.db2.gz AQSOLGSFCCGQAE-GHMZBOCLSA-N 1 0 239.319 -1.031 20 0 BAADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CC[C@@H]1CO ZINC000889144693 582844884 /nfs/dbraw/zinc/84/48/84/582844884.db2.gz AQSOLGSFCCGQAE-MNOVXSKESA-N 1 0 239.319 -1.031 20 0 BAADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CC[C@H]1CO ZINC000889144694 582844568 /nfs/dbraw/zinc/84/45/68/582844568.db2.gz AQSOLGSFCCGQAE-QWRGUYRKSA-N 1 0 239.319 -1.031 20 0 BAADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CC[C@H]1CO ZINC000889144695 582844678 /nfs/dbraw/zinc/84/46/78/582844678.db2.gz AQSOLGSFCCGQAE-WDEREUQCSA-N 1 0 239.319 -1.031 20 0 BAADRO CN1C(=O)N=NC1CNC(=O)NCC[NH+](C)C ZINC000889578953 592620331 /nfs/dbraw/zinc/62/03/31/592620331.db2.gz QSJQSNBXAXCALD-UHFFFAOYSA-N 1 0 242.283 -1.119 20 0 BAADRO CC[N@@H+]1CC[C@@H]1CNC(=O)NC(CO)CO ZINC000890067236 592676540 /nfs/dbraw/zinc/67/65/40/592676540.db2.gz KALIPRUQZCVFSS-SECBINFHSA-N 1 0 231.296 -1.267 20 0 BAADRO CC[N@@H+]1CC[C@H]1CNC(=O)NC(CO)CO ZINC000890067237 592677285 /nfs/dbraw/zinc/67/72/85/592677285.db2.gz KALIPRUQZCVFSS-VIFPVBQESA-N 1 0 231.296 -1.267 20 0 BAADRO C[NH+](C)CCNC(=O)NCCN1CCNC1=O ZINC000891077966 582608706 /nfs/dbraw/zinc/60/87/06/582608706.db2.gz RJXKONUFNPXZRF-UHFFFAOYSA-N 1 0 243.311 -1.128 20 0 BAADRO CS(=O)(=O)CCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891503173 582692794 /nfs/dbraw/zinc/69/27/94/582692794.db2.gz ZENZXJWQSJSBLC-YUMQZZPRSA-N 1 0 247.320 -1.213 20 0 BAADRO CN1CC[C@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1=O ZINC000891587879 582699899 /nfs/dbraw/zinc/69/98/99/582699899.db2.gz YJYORTVRBSLGTJ-CIUDSAMLSA-N 1 0 238.291 -1.027 20 0 BAADRO CN1CC[C@@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1=O ZINC000891587880 582699717 /nfs/dbraw/zinc/69/97/17/582699717.db2.gz YJYORTVRBSLGTJ-XHNCKOQMSA-N 1 0 238.291 -1.027 20 0 BAADRO CN1C[C@@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1=O ZINC000891651684 631427872 /nfs/dbraw/zinc/42/78/72/631427872.db2.gz QHHZTEJQWHRNTJ-CIUDSAMLSA-N 1 0 238.291 -1.027 20 0 BAADRO CN1C[C@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1=O ZINC000891651685 631428652 /nfs/dbraw/zinc/42/86/52/631428652.db2.gz QHHZTEJQWHRNTJ-YIZRAAEISA-N 1 0 238.291 -1.027 20 0 BAADRO C[NH2+]CCCNC(=O)N(C)[C@@H]1COC[C@H]1O ZINC000891962843 631639868 /nfs/dbraw/zinc/63/98/68/631639868.db2.gz QUQRMNJPZDIIGT-RKDXNWHRSA-N 1 0 231.296 -1.003 20 0 BAADRO C[NH2+]CCCNC(=O)NCCN1CCNC1=O ZINC000891964291 631645162 /nfs/dbraw/zinc/64/51/62/631645162.db2.gz SAESKHVALDSQPL-UHFFFAOYSA-N 1 0 243.311 -1.080 20 0 BAADRO CCN1CC[C@@H](NC(=O)NCC[NH3+])C1=O ZINC000891975586 582751611 /nfs/dbraw/zinc/75/16/11/582751611.db2.gz DBGKXHUMCLMHOP-SSDOTTSWSA-N 1 0 214.269 -1.135 20 0 BAADRO CCN1CC[C@H](NC(=O)NCC[NH3+])C1=O ZINC000891975596 582751779 /nfs/dbraw/zinc/75/17/79/582751779.db2.gz DBGKXHUMCLMHOP-ZETCQYMHSA-N 1 0 214.269 -1.135 20 0 BAADRO CN(C(=O)NCC[NH3+])[C@@H]1COC[C@H]1O ZINC000891977459 582751035 /nfs/dbraw/zinc/75/10/35/582751035.db2.gz KNCOPKINNJHMDW-RNFRBKRXSA-N 1 0 203.242 -1.654 20 0 BAADRO COC(=O)[C@@H](F)CNC(=O)NCC[NH3+] ZINC000891977716 582750800 /nfs/dbraw/zinc/75/08/00/582750800.db2.gz OYQLLKXGSNJLLS-YFKPBYRVSA-N 1 0 207.205 -1.245 20 0 BAADRO [NH3+]CCCNC(=O)N1CCCNC(=O)C1 ZINC000891986774 582753774 /nfs/dbraw/zinc/75/37/74/582753774.db2.gz USCKYHOCQIPJMU-UHFFFAOYSA-N 1 0 214.269 -1.133 20 0 BAADRO CN(C(=O)NCCC[NH3+])[C@@H]1COC[C@H]1O ZINC000891987119 582753936 /nfs/dbraw/zinc/75/39/36/582753936.db2.gz NPYHYOUHXQFGAS-HTQZYQBOSA-N 1 0 217.269 -1.264 20 0 BAADRO C[NH2+]CCNC(=O)N1CCCNC(=O)C1 ZINC000891993817 582756212 /nfs/dbraw/zinc/75/62/12/582756212.db2.gz LUERPUXHMYSAOT-UHFFFAOYSA-N 1 0 214.269 -1.263 20 0 BAADRO C[NH2+]CCNC(=O)N(C)[C@@H]1COC[C@H]1O ZINC000891994581 582756127 /nfs/dbraw/zinc/75/61/27/582756127.db2.gz XGBMUGCOWZUORR-HTQZYQBOSA-N 1 0 217.269 -1.393 20 0 BAADRO CC[NH2+]CCNC(=O)NCCN1CCNC1=O ZINC000891994997 631693262 /nfs/dbraw/zinc/69/32/62/631693262.db2.gz GKKOCJUTDTWUQN-UHFFFAOYSA-N 1 0 243.311 -1.080 20 0 BAADRO CC[NH2+]CCNC(=O)N(C)[C@@H]1COC[C@H]1O ZINC000891995039 582756983 /nfs/dbraw/zinc/75/69/83/582756983.db2.gz IHBTWVWANBSIIK-RKDXNWHRSA-N 1 0 231.296 -1.003 20 0 BAADRO O=C(N[C@@H]1CC[NH2+]C1)N1CCCNC(=O)C1 ZINC000892002497 582758745 /nfs/dbraw/zinc/75/87/45/582758745.db2.gz PSCGPYXSIPHJHT-MRVPVSSYSA-N 1 0 226.280 -1.120 20 0 BAADRO O=C(N[C@H]1CC[NH2+]C1)N1CCCNC(=O)C1 ZINC000892002501 582758795 /nfs/dbraw/zinc/75/87/95/582758795.db2.gz PSCGPYXSIPHJHT-QMMMGPOBSA-N 1 0 226.280 -1.120 20 0 BAADRO CN(C(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1COC[C@H]1O ZINC000892006496 582760429 /nfs/dbraw/zinc/76/04/29/582760429.db2.gz GRKTURRREKQWKA-IWSPIJDZSA-N 1 0 229.280 -1.251 20 0 BAADRO C[C@H](C[NH3+])CNC(=O)NCCN1CCNC1=O ZINC000892045330 582773584 /nfs/dbraw/zinc/77/35/84/582773584.db2.gz SJZUJDOZIYNATM-MRVPVSSYSA-N 1 0 243.311 -1.094 20 0 BAADRO C[C@@H](C[NH3+])CNC(=O)NCCN1CCNC1=O ZINC000892045335 582773614 /nfs/dbraw/zinc/77/36/14/582773614.db2.gz SJZUJDOZIYNATM-QMMMGPOBSA-N 1 0 243.311 -1.094 20 0 BAADRO C[C@@H](C[NH3+])CNC(=O)N(C)[C@@H]1COC[C@H]1O ZINC000892045953 582771777 /nfs/dbraw/zinc/77/17/77/582771777.db2.gz XOWCOLGCOFKEKX-DJLDLDEBSA-N 1 0 231.296 -1.018 20 0 BAADRO C[C@H](C[NH3+])CNC(=O)N(C)[C@@H]1COC[C@H]1O ZINC000892045954 582771599 /nfs/dbraw/zinc/77/15/99/582771599.db2.gz XOWCOLGCOFKEKX-IWSPIJDZSA-N 1 0 231.296 -1.018 20 0 BAADRO C[C@H](C[NH3+])NC(=O)N(C)[C@@H]1COC[C@H]1O ZINC000892063226 582780911 /nfs/dbraw/zinc/78/09/11/582780911.db2.gz ICKHPGPMBFKBBW-BWZBUEFSSA-N 1 0 217.269 -1.265 20 0 BAADRO C[C@H](C[NH3+])NC(=O)N1CCCNC(=O)C1 ZINC000892064121 582781977 /nfs/dbraw/zinc/78/19/77/582781977.db2.gz UGNHKUKTQHWGTB-SSDOTTSWSA-N 1 0 214.269 -1.135 20 0 BAADRO C[C@@H](C[NH3+])NC(=O)N(C)[C@@H]1COC[C@H]1O ZINC000892091860 582789441 /nfs/dbraw/zinc/78/94/41/582789441.db2.gz ICKHPGPMBFKBBW-XLPZGREQSA-N 1 0 217.269 -1.265 20 0 BAADRO C[C@@H](C[NH3+])NC(=O)N1CCCNC(=O)C1 ZINC000892094781 582790360 /nfs/dbraw/zinc/79/03/60/582790360.db2.gz UGNHKUKTQHWGTB-ZETCQYMHSA-N 1 0 214.269 -1.135 20 0 BAADRO C[C@@H]([NH3+])CNC(=O)N1CCCNC(=O)C1 ZINC000892101035 582791668 /nfs/dbraw/zinc/79/16/68/582791668.db2.gz AMAVHGWQJDQJNK-SSDOTTSWSA-N 1 0 214.269 -1.135 20 0 BAADRO C[C@H]([NH3+])CNC(=O)N1CCCNC(=O)C1 ZINC000892101036 582791311 /nfs/dbraw/zinc/79/13/11/582791311.db2.gz AMAVHGWQJDQJNK-ZETCQYMHSA-N 1 0 214.269 -1.135 20 0 BAADRO C[C@@H]([NH3+])CNC(=O)N(C)[C@@H]1COC[C@H]1O ZINC000892103926 582791469 /nfs/dbraw/zinc/79/14/69/582791469.db2.gz SOILJNMQOJTRJJ-BWZBUEFSSA-N 1 0 217.269 -1.265 20 0 BAADRO C[C@H]([NH3+])CNC(=O)N(C)[C@@H]1COC[C@H]1O ZINC000892103927 582791184 /nfs/dbraw/zinc/79/11/84/582791184.db2.gz SOILJNMQOJTRJJ-XLPZGREQSA-N 1 0 217.269 -1.265 20 0 BAADRO Cc1cc(N)nc(N2C[C@@H](O)[C@@H](O)C2)[nH+]1 ZINC000892778373 582981112 /nfs/dbraw/zinc/98/11/12/582981112.db2.gz UXHVZGXGOMPLRY-KNVOCYPGSA-N 1 0 210.237 -1.091 20 0 BAADRO CNC(=O)[C@H](O)CNc1cc[nH+]cc1CO ZINC000893479557 583151598 /nfs/dbraw/zinc/15/15/98/583151598.db2.gz SZMXFYNTKSPYQX-SECBINFHSA-N 1 0 225.248 -1.485 20 0 BAADRO CNC(=O)[C@@H](O)CNc1cc[nH+]cc1CO ZINC000893479558 583151448 /nfs/dbraw/zinc/15/14/48/583151448.db2.gz SZMXFYNTKSPYQX-VIFPVBQESA-N 1 0 225.248 -1.485 20 0 BAADRO CC[N@@H+]1CC[C@@H]1CNC(=O)Cn1cnnn1 ZINC000893871316 583236780 /nfs/dbraw/zinc/23/67/80/583236780.db2.gz JZTYYULEPVQYOL-MRVPVSSYSA-N 1 0 224.268 -1.117 20 0 BAADRO CC[N@@H+]1CC[C@H]1CNC(=O)Cn1cnnn1 ZINC000893871317 583236976 /nfs/dbraw/zinc/23/69/76/583236976.db2.gz JZTYYULEPVQYOL-QMMMGPOBSA-N 1 0 224.268 -1.117 20 0 BAADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CO)C1 ZINC000893992166 583268139 /nfs/dbraw/zinc/26/81/39/583268139.db2.gz YKFLZPMDXCJGRY-SECBINFHSA-N 1 0 243.307 -1.318 20 0 BAADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CO)C1 ZINC000893992168 583267983 /nfs/dbraw/zinc/26/79/83/583267983.db2.gz YKFLZPMDXCJGRY-VIFPVBQESA-N 1 0 243.307 -1.318 20 0 BAADRO C[C@H](CCO)[NH2+]CCNS(=O)(=O)N(C)C ZINC000894420032 711771447 /nfs/dbraw/zinc/77/14/47/711771447.db2.gz YUXQZLXVFPZWMZ-MRVPVSSYSA-N 1 0 239.341 -1.257 20 0 BAADRO C[C@@H](CCO)[NH2+]CCNS(=O)(=O)N(C)C ZINC000894420043 711771433 /nfs/dbraw/zinc/77/14/33/711771433.db2.gz YUXQZLXVFPZWMZ-QMMMGPOBSA-N 1 0 239.341 -1.257 20 0 BAADRO Cn1nnc2c1ncnc2N1CC=C(N)[NH2+]1 ZINC000895249962 583632291 /nfs/dbraw/zinc/63/22/91/583632291.db2.gz YBIMHTGSSURQAJ-UHFFFAOYSA-N 1 0 218.224 -1.117 20 0 BAADRO COC[C@H](C)C[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000895313382 583648718 /nfs/dbraw/zinc/64/87/18/583648718.db2.gz AQTFDURHYCXIKV-HLTSFMKQSA-N 1 0 243.307 -1.213 20 0 BAADRO COC[C@H](C)C[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000895313383 583648520 /nfs/dbraw/zinc/64/85/20/583648520.db2.gz AQTFDURHYCXIKV-IWSPIJDZSA-N 1 0 243.307 -1.213 20 0 BAADRO COC[C@H](C)C[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC000895313384 583648604 /nfs/dbraw/zinc/64/86/04/583648604.db2.gz AQTFDURHYCXIKV-VGMNWLOBSA-N 1 0 243.307 -1.213 20 0 BAADRO COC[C@@H](C)C[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000895313385 583648472 /nfs/dbraw/zinc/64/84/72/583648472.db2.gz AQTFDURHYCXIKV-XHNCKOQMSA-N 1 0 243.307 -1.213 20 0 BAADRO O=C(NCCO)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895482066 583680880 /nfs/dbraw/zinc/68/08/80/583680880.db2.gz GDOZHTWWBLDGNM-SECBINFHSA-N 1 0 214.265 -1.184 20 0 BAADRO O=C(NCCO)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895482068 583681057 /nfs/dbraw/zinc/68/10/57/583681057.db2.gz GDOZHTWWBLDGNM-VIFPVBQESA-N 1 0 214.265 -1.184 20 0 BAADRO CNC(=O)CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895483618 636153385 /nfs/dbraw/zinc/15/33/85/636153385.db2.gz RDEZVCKVLHHRHY-SECBINFHSA-N 1 0 241.291 -1.431 20 0 BAADRO CNC(=O)CNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895483655 636152129 /nfs/dbraw/zinc/15/21/29/636152129.db2.gz RDEZVCKVLHHRHY-VIFPVBQESA-N 1 0 241.291 -1.431 20 0 BAADRO COC(=O)CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895518020 636155102 /nfs/dbraw/zinc/15/51/02/636155102.db2.gz FHHHJYVOWAJYOF-SECBINFHSA-N 1 0 242.275 -1.004 20 0 BAADRO COC(=O)CNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895518021 636155561 /nfs/dbraw/zinc/15/55/61/636155561.db2.gz FHHHJYVOWAJYOF-VIFPVBQESA-N 1 0 242.275 -1.004 20 0 BAADRO CN(CC(N)=O)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895729580 583713472 /nfs/dbraw/zinc/71/34/72/583713472.db2.gz IDZPYHUJFQXPDL-SECBINFHSA-N 1 0 241.291 -1.349 20 0 BAADRO CN(CC(N)=O)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895729581 583713381 /nfs/dbraw/zinc/71/33/81/583713381.db2.gz IDZPYHUJFQXPDL-VIFPVBQESA-N 1 0 241.291 -1.349 20 0 BAADRO NC(=O)CCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895739818 583714634 /nfs/dbraw/zinc/71/46/34/583714634.db2.gz IGNCLTCBKPOPLM-SECBINFHSA-N 1 0 241.291 -1.301 20 0 BAADRO NC(=O)CCNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895739819 583714261 /nfs/dbraw/zinc/71/42/61/583714261.db2.gz IGNCLTCBKPOPLM-VIFPVBQESA-N 1 0 241.291 -1.301 20 0 BAADRO C[N@@H+]1CCC[C@H]1C(=O)NC1=NCC(=O)N1 ZINC000895798492 583731030 /nfs/dbraw/zinc/73/10/30/583731030.db2.gz HNGXEWHDCDJABI-LURJTMIESA-N 1 0 210.237 -1.317 20 0 BAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC1=NCC(=O)N1 ZINC000895798493 583731054 /nfs/dbraw/zinc/73/10/54/583731054.db2.gz HNGXEWHDCDJABI-ZCFIWIBFSA-N 1 0 210.237 -1.317 20 0 BAADRO COC(=O)CNC(=O)C[NH2+][C@H](C)COC(C)=O ZINC000895811001 583730371 /nfs/dbraw/zinc/73/03/71/583730371.db2.gz DEUIKZYNXAFCBL-SSDOTTSWSA-N 1 0 246.263 -1.183 20 0 BAADRO COC(=O)CNC(=O)C[NH2+][C@@H](C)COC(C)=O ZINC000895811010 583730203 /nfs/dbraw/zinc/73/02/03/583730203.db2.gz DEUIKZYNXAFCBL-ZETCQYMHSA-N 1 0 246.263 -1.183 20 0 BAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCCCS(N)(=O)=O ZINC000895822385 583735004 /nfs/dbraw/zinc/73/50/04/583735004.db2.gz KBHZMVOQQYTERS-MRVPVSSYSA-N 1 0 249.336 -1.125 20 0 BAADRO C[N@@H+]1CCC[C@H]1C(=O)NCCCS(N)(=O)=O ZINC000895822386 583734895 /nfs/dbraw/zinc/73/48/95/583734895.db2.gz KBHZMVOQQYTERS-QMMMGPOBSA-N 1 0 249.336 -1.125 20 0 BAADRO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CC(O)C1 ZINC000897082165 583878204 /nfs/dbraw/zinc/87/82/04/583878204.db2.gz IOSNUOAXAXCQDB-SECBINFHSA-N 1 0 226.276 -1.090 20 0 BAADRO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CC(O)C1 ZINC000897082167 583877832 /nfs/dbraw/zinc/87/78/32/583877832.db2.gz IOSNUOAXAXCQDB-VIFPVBQESA-N 1 0 226.276 -1.090 20 0 BAADRO Cn1nnnc1N1CCN(C)CC[N@H+](C)CC1 ZINC000897094525 583879253 /nfs/dbraw/zinc/87/92/53/583879253.db2.gz LZUZKOOCSSTZLS-UHFFFAOYSA-N 1 0 239.327 -1.106 20 0 BAADRO O=C(NC(CO)CO)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897423555 583964786 /nfs/dbraw/zinc/96/47/86/583964786.db2.gz PWOCENQZNUXZLE-JTQLQIEISA-N 1 0 244.291 -1.824 20 0 BAADRO O=C(NC(CO)CO)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897423559 583964652 /nfs/dbraw/zinc/96/46/52/583964652.db2.gz PWOCENQZNUXZLE-SNVBAGLBSA-N 1 0 244.291 -1.824 20 0 BAADRO C[C@@H]1CC[N@H+](CCNC(=O)NC(CO)CO)C1 ZINC000897437772 583983497 /nfs/dbraw/zinc/98/34/97/583983497.db2.gz ONLNVEVSSXNQTH-SECBINFHSA-N 1 0 245.323 -1.019 20 0 BAADRO C[C@H]1CC[N@H+](CCNC(=O)NC(CO)CO)C1 ZINC000897437773 583983518 /nfs/dbraw/zinc/98/35/18/583983518.db2.gz ONLNVEVSSXNQTH-VIFPVBQESA-N 1 0 245.323 -1.019 20 0 BAADRO CNC(=O)[C@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000897559655 584018338 /nfs/dbraw/zinc/01/83/38/584018338.db2.gz AWRDNFWYNUNFLZ-DTWKUNHWSA-N 1 0 243.307 -1.306 20 0 BAADRO CNC(=O)[C@@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000897559656 584018667 /nfs/dbraw/zinc/01/86/67/584018667.db2.gz AWRDNFWYNUNFLZ-IUCAKERBSA-N 1 0 243.307 -1.306 20 0 BAADRO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1COC[C@H]1O ZINC000897916672 584060328 /nfs/dbraw/zinc/06/03/28/584060328.db2.gz NOYJYSCHEZGPCB-HRDYMLBCSA-N 1 0 214.265 -1.044 20 0 BAADRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1COC[C@H]1O ZINC000897916673 584060484 /nfs/dbraw/zinc/06/04/84/584060484.db2.gz NOYJYSCHEZGPCB-IWSPIJDZSA-N 1 0 214.265 -1.044 20 0 BAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H](O)[C@H](CO)C1 ZINC000897955666 584065045 /nfs/dbraw/zinc/06/50/45/584065045.db2.gz BOJJFWPNLBGNOF-AEJSXWLSSA-N 1 0 228.292 -1.108 20 0 BAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H](O)[C@@H](CO)C1 ZINC000897955667 584065433 /nfs/dbraw/zinc/06/54/33/584065433.db2.gz BOJJFWPNLBGNOF-BBBLOLIVSA-N 1 0 228.292 -1.108 20 0 BAADRO C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@H](CO)C1 ZINC000897955668 584065453 /nfs/dbraw/zinc/06/54/53/584065453.db2.gz BOJJFWPNLBGNOF-GUBZILKMSA-N 1 0 228.292 -1.108 20 0 BAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](CO)C1 ZINC000897955669 584065018 /nfs/dbraw/zinc/06/50/18/584065018.db2.gz BOJJFWPNLBGNOF-IVZWLZJFSA-N 1 0 228.292 -1.108 20 0 BAADRO C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](CO)[C@H](O)C1 ZINC000897955670 584064991 /nfs/dbraw/zinc/06/49/91/584064991.db2.gz BOJJFWPNLBGNOF-KXUCPTDWSA-N 1 0 228.292 -1.108 20 0 BAADRO C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](CO)C1 ZINC000897955671 584065466 /nfs/dbraw/zinc/06/54/66/584065466.db2.gz BOJJFWPNLBGNOF-LPEHRKFASA-N 1 0 228.292 -1.108 20 0 BAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H](CO)[C@H](O)C1 ZINC000897955672 584065205 /nfs/dbraw/zinc/06/52/05/584065205.db2.gz BOJJFWPNLBGNOF-OPRDCNLKSA-N 1 0 228.292 -1.108 20 0 BAADRO C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](CO)C1 ZINC000897955673 584065201 /nfs/dbraw/zinc/06/52/01/584065201.db2.gz BOJJFWPNLBGNOF-UTLUCORTSA-N 1 0 228.292 -1.108 20 0 BAADRO NC(=O)NCC(=O)N1CC([NH+]2CCCC2)C1 ZINC000898614765 584147365 /nfs/dbraw/zinc/14/73/65/584147365.db2.gz SXKNZQSBLHYWLV-UHFFFAOYSA-N 1 0 226.280 -1.039 20 0 BAADRO CN1C(=O)CN=C1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000898778094 637056108 /nfs/dbraw/zinc/05/61/08/637056108.db2.gz UHLJITPSCUXQON-SSDOTTSWSA-N 1 0 224.264 -1.118 20 0 BAADRO CN1C(=O)CN=C1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000898778095 637055220 /nfs/dbraw/zinc/05/52/20/637055220.db2.gz UHLJITPSCUXQON-ZETCQYMHSA-N 1 0 224.264 -1.118 20 0 BAADRO CC[NH+]1CCN(CCNC(=O)CO)CC1 ZINC000898785845 584159734 /nfs/dbraw/zinc/15/97/34/584159734.db2.gz IRHVJMXDBNKMKY-UHFFFAOYSA-N 1 0 215.297 -1.268 20 0 BAADRO O=C(CO)NC[C@H]1CCC[N@H+]1CCCO ZINC000899144655 584177179 /nfs/dbraw/zinc/17/71/79/584177179.db2.gz JBNFOMAMJKNOCY-SECBINFHSA-N 1 0 216.281 -1.058 20 0 BAADRO O=C(CO)NC[C@@H]1CCC[N@H+]1CCCO ZINC000899144656 584176793 /nfs/dbraw/zinc/17/67/93/584176793.db2.gz JBNFOMAMJKNOCY-VIFPVBQESA-N 1 0 216.281 -1.058 20 0 BAADRO COCCNC(=O)N1CCNCC[NH2+]CC1 ZINC000899242130 584185566 /nfs/dbraw/zinc/18/55/66/584185566.db2.gz WKZPLNOZSUUYET-UHFFFAOYSA-N 1 0 230.312 -1.163 20 0 BAADRO NOCCCNC(=O)NCCN1CCOCC1 ZINC000899245536 584186194 /nfs/dbraw/zinc/18/61/94/584186194.db2.gz QXZOFJWMBPFVEW-UHFFFAOYSA-N 1 0 246.311 -1.102 20 0 BAADRO COC(=O)[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)[C@@H](C)O ZINC000899262077 584190472 /nfs/dbraw/zinc/19/04/72/584190472.db2.gz JXBHYVGPAIUODV-HLTSFMKQSA-N 1 0 244.291 -1.023 20 0 BAADRO COC(=O)[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)[C@@H](C)O ZINC000899262079 584190602 /nfs/dbraw/zinc/19/06/02/584190602.db2.gz JXBHYVGPAIUODV-VGMNWLOBSA-N 1 0 244.291 -1.023 20 0 BAADRO COC(=O)[C@@H](NC(=O)[C@@H](C)[NH+](C)C)[C@@H](C)O ZINC000899266625 584189831 /nfs/dbraw/zinc/18/98/31/584189831.db2.gz WGQQUGJNADJOOJ-PRJMDXOYSA-N 1 0 232.280 -1.025 20 0 BAADRO COC(=O)[C@@H](NC(=O)[C@H](C)[NH+](C)C)[C@@H](C)O ZINC000899266628 584190189 /nfs/dbraw/zinc/19/01/89/584190189.db2.gz WGQQUGJNADJOOJ-RNJXMRFFSA-N 1 0 232.280 -1.025 20 0 BAADRO C[N@H+](CCO)CCNC(=O)C1=COCCO1 ZINC000899727465 584229999 /nfs/dbraw/zinc/22/99/99/584229999.db2.gz BKOWOKJYHUTTCD-UHFFFAOYSA-N 1 0 230.264 -1.085 20 0 BAADRO C[N@H+](CCO)CCNC(=O)CN1CCCC1=O ZINC000899728190 584230584 /nfs/dbraw/zinc/23/05/84/584230584.db2.gz MXXXOAGXIQHICV-UHFFFAOYSA-N 1 0 243.307 -1.351 20 0 BAADRO C[N@H+](CCO)CCNC(=O)Cn1cccn1 ZINC000899728916 584231189 /nfs/dbraw/zinc/23/11/89/584231189.db2.gz ZTECUVNHWOCYPQ-UHFFFAOYSA-N 1 0 226.280 -1.077 20 0 BAADRO CN1C[C@H](C(=O)NCC[N@H+](C)CCO)CC1=O ZINC000899729534 584230515 /nfs/dbraw/zinc/23/05/15/584230515.db2.gz JOOSZDGTZNDACR-SECBINFHSA-N 1 0 243.307 -1.495 20 0 BAADRO CN1C[C@@H](C(=O)NCC[N@H+](C)CCO)CC1=O ZINC000899729535 584231081 /nfs/dbraw/zinc/23/10/81/584231081.db2.gz JOOSZDGTZNDACR-VIFPVBQESA-N 1 0 243.307 -1.495 20 0 BAADRO CCC(=O)N[C@H](C)C(=O)NCC[N@H+](C)CCO ZINC000899729853 584231016 /nfs/dbraw/zinc/23/10/16/584231016.db2.gz PNKACSNVZHLKIU-SECBINFHSA-N 1 0 245.323 -1.059 20 0 BAADRO CCC(=O)N[C@@H](C)C(=O)NCC[N@H+](C)CCO ZINC000899729854 584230801 /nfs/dbraw/zinc/23/08/01/584230801.db2.gz PNKACSNVZHLKIU-VIFPVBQESA-N 1 0 245.323 -1.059 20 0 BAADRO C[N@H+](CCO)CCNC(=O)c1cn[nH]n1 ZINC000899731639 584231601 /nfs/dbraw/zinc/23/16/01/584231601.db2.gz DJYCJLVJBOMZLS-UHFFFAOYSA-N 1 0 213.241 -1.541 20 0 BAADRO COC(=O)N(C)CC(=O)NCC[N@H+](C)CCO ZINC000899731685 584228357 /nfs/dbraw/zinc/22/83/57/584228357.db2.gz GEPQNVXFGSUOFS-UHFFFAOYSA-N 1 0 247.295 -1.275 20 0 BAADRO C[N@H+](CCO)CCNC(=O)CNC(=O)C1CC1 ZINC000899731734 584228097 /nfs/dbraw/zinc/22/80/97/584228097.db2.gz IKMNQLVIKQGTCA-UHFFFAOYSA-N 1 0 243.307 -1.447 20 0 BAADRO CCOC(=O)NCC(=O)NCC[N@H+](C)CCO ZINC000899731811 584228426 /nfs/dbraw/zinc/22/84/26/584228426.db2.gz LJCCLZMXNKOEBZ-UHFFFAOYSA-N 1 0 247.295 -1.227 20 0 BAADRO CC(=O)N(C)CC(=O)NCC[N@H+](C)CCO ZINC000899731908 584230879 /nfs/dbraw/zinc/23/08/79/584230879.db2.gz PPWKMXKHQCMZNH-UHFFFAOYSA-N 1 0 231.296 -1.495 20 0 BAADRO COC(=O)NCC(=O)NCC[N@H+](C)CCO ZINC000899732010 584229733 /nfs/dbraw/zinc/22/97/33/584229733.db2.gz SLFXINIUHWTAHW-UHFFFAOYSA-N 1 0 233.268 -1.617 20 0 BAADRO C[N@H+](CCO)CCNC(=O)[C@H]1COCCO1 ZINC000899732055 584229833 /nfs/dbraw/zinc/22/98/33/584229833.db2.gz TZZFVGGQHOHBLR-SECBINFHSA-N 1 0 232.280 -1.558 20 0 BAADRO C[N@H+](CCO)CCNC(=O)[C@@H]1COCCO1 ZINC000899732057 584230028 /nfs/dbraw/zinc/23/00/28/584230028.db2.gz TZZFVGGQHOHBLR-VIFPVBQESA-N 1 0 232.280 -1.558 20 0 BAADRO COC(=O)[C@@H]1C[C@@H]1C(=O)NCC[N@H+](C)CCO ZINC000899733248 584234501 /nfs/dbraw/zinc/23/45/01/584234501.db2.gz YMWNUTVLJKTOJS-DTWKUNHWSA-N 1 0 244.291 -1.164 20 0 BAADRO COC(=O)NCCC(=O)NCC[N@H+](C)CCO ZINC000899734052 584235742 /nfs/dbraw/zinc/23/57/42/584235742.db2.gz SCQWREADRAXGPM-UHFFFAOYSA-N 1 0 247.295 -1.227 20 0 BAADRO CN1CCO[C@H](C(=O)NCC[N@H+](C)CCO)C1 ZINC000899734534 584235560 /nfs/dbraw/zinc/23/55/60/584235560.db2.gz JTOADPQXIKWTML-JTQLQIEISA-N 1 0 245.323 -1.643 20 0 BAADRO CN1CCO[C@@H](C(=O)NCC[N@H+](C)CCO)C1 ZINC000899734535 584235389 /nfs/dbraw/zinc/23/53/89/584235389.db2.gz JTOADPQXIKWTML-SNVBAGLBSA-N 1 0 245.323 -1.643 20 0 BAADRO C[N@H+](CCO)CCNC(=O)c1nnc[nH]1 ZINC000899736579 584231466 /nfs/dbraw/zinc/23/14/66/584231466.db2.gz LKBPCOOAEGSYCB-UHFFFAOYSA-N 1 0 213.241 -1.541 20 0 BAADRO C[N@H+](CCO)CCNC(=O)CN1CCOCC1 ZINC000899736769 584231676 /nfs/dbraw/zinc/23/16/76/584231676.db2.gz SVDCPBVCIFLZAO-UHFFFAOYSA-N 1 0 245.323 -1.641 20 0 BAADRO COC(=O)N[C@@H](C)C(=O)NCC[N@H+](C)CCO ZINC000899737094 584231422 /nfs/dbraw/zinc/23/14/22/584231422.db2.gz YAWJFOANSATACW-QMMMGPOBSA-N 1 0 247.295 -1.229 20 0 BAADRO C[N@H+](CCO)CCNC(=O)CCn1ccnn1 ZINC000899737372 584232561 /nfs/dbraw/zinc/23/25/61/584232561.db2.gz HIIZQEXIENZTAK-UHFFFAOYSA-N 1 0 241.295 -1.292 20 0 BAADRO CCNC(=O)CC(=O)NCC[N@H+](C)CCO ZINC000899737518 584232703 /nfs/dbraw/zinc/23/27/03/584232703.db2.gz JVWCPXWCEXKWRO-UHFFFAOYSA-N 1 0 231.296 -1.447 20 0 BAADRO Cn1ncc(C(=O)NCC[N@H+](C)CCO)n1 ZINC000899738208 584232778 /nfs/dbraw/zinc/23/27/78/584232778.db2.gz TUSTWDVCJADVNL-UHFFFAOYSA-N 1 0 227.268 -1.531 20 0 BAADRO CCn1nncc1C(=O)NCC[N@H+](C)CCO ZINC000899738577 584232754 /nfs/dbraw/zinc/23/27/54/584232754.db2.gz HGRIKWIHUAMDNR-UHFFFAOYSA-N 1 0 241.295 -1.048 20 0 BAADRO CCn1ncc(C(=O)NCC[N@H+](C)CCO)n1 ZINC000899738659 584232461 /nfs/dbraw/zinc/23/24/61/584232461.db2.gz KJQDPUCFILAHCW-UHFFFAOYSA-N 1 0 241.295 -1.048 20 0 BAADRO CNC(=O)NCCC(=O)NCC[N@H+](C)CCO ZINC000899738681 584234035 /nfs/dbraw/zinc/23/40/35/584234035.db2.gz LHSPAXZLFAMOFA-UHFFFAOYSA-N 1 0 246.311 -1.654 20 0 BAADRO CC[C@H](NC(C)=O)C(=O)NCC[N@H+](C)CCO ZINC000899740302 584234074 /nfs/dbraw/zinc/23/40/74/584234074.db2.gz APQNCBPWLIHJBD-JTQLQIEISA-N 1 0 245.323 -1.059 20 0 BAADRO CC[C@@H](NC(C)=O)C(=O)NCC[N@H+](C)CCO ZINC000899740305 584233741 /nfs/dbraw/zinc/23/37/41/584233741.db2.gz APQNCBPWLIHJBD-SNVBAGLBSA-N 1 0 245.323 -1.059 20 0 BAADRO C[N@H+](CCO)CCNC(=O)[C@H]1C[C@@H](O)C1 ZINC000899740407 584233908 /nfs/dbraw/zinc/23/39/08/584233908.db2.gz BYHMBLUVAIRERG-DTORHVGOSA-N 1 0 216.281 -1.202 20 0 BAADRO C[N@H+](CCO)CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000899740624 584233958 /nfs/dbraw/zinc/23/39/58/584233958.db2.gz GDBHMCUPUSCWNN-MYJAWHEDSA-N 1 0 228.292 -1.081 20 0 BAADRO C[N@H+](CCO)CCNC(=O)[C@@H]1CCCNC1=O ZINC000899740700 584233902 /nfs/dbraw/zinc/23/39/02/584233902.db2.gz MNAUCXXUNLOGFI-SECBINFHSA-N 1 0 243.307 -1.447 20 0 BAADRO C[N@H+](CCO)CCNC(=O)[C@H]1CCCNC1=O ZINC000899740701 584233557 /nfs/dbraw/zinc/23/35/57/584233557.db2.gz MNAUCXXUNLOGFI-VIFPVBQESA-N 1 0 243.307 -1.447 20 0 BAADRO C[N@H+](CCO)CCNC(=O)[C@@H]1COC(=O)N1 ZINC000899740861 584233540 /nfs/dbraw/zinc/23/35/40/584233540.db2.gz IZWFYQZPHBJPGR-ZETCQYMHSA-N 1 0 231.252 -1.865 20 0 BAADRO C[N@H+](CCO)CCNC(=O)c1cc(=O)[nH]cn1 ZINC000899741178 584233554 /nfs/dbraw/zinc/23/35/54/584233554.db2.gz MTYJTLGOTAYDML-UHFFFAOYSA-N 1 0 240.263 -1.164 20 0 BAADRO CC(C)[C@H](NC=O)C(=O)NCC[N@H+](C)CCO ZINC000899741182 584233954 /nfs/dbraw/zinc/23/39/54/584233954.db2.gz MXDQKJOUOQVKON-JTQLQIEISA-N 1 0 245.323 -1.203 20 0 BAADRO C[N@H+](CCO)CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC000899741476 584234878 /nfs/dbraw/zinc/23/48/78/584234878.db2.gz BNLHVCBNWXBUJP-NSHDSACASA-N 1 0 243.307 -1.305 20 0 BAADRO COC(OC)C(=O)NCC[N@H+](C)CCO ZINC000899741570 584234629 /nfs/dbraw/zinc/23/46/29/584234629.db2.gz YYWGYVRJNHFQMI-UHFFFAOYSA-N 1 0 220.269 -1.354 20 0 BAADRO Cn1c(C(=O)NCC[N@H+](C)CCO)c[nH]c1=O ZINC000899741590 584234486 /nfs/dbraw/zinc/23/44/86/584234486.db2.gz ZUAVGHUWLUCUFQ-UHFFFAOYSA-N 1 0 242.279 -1.220 20 0 BAADRO COC[C@@H](OC)C(=O)NCC[N@H+](C)CCO ZINC000899741980 584235043 /nfs/dbraw/zinc/23/50/43/584235043.db2.gz YFVBBXCRWRMOFG-SECBINFHSA-N 1 0 234.296 -1.312 20 0 BAADRO COC[C@H](OC)C(=O)NCC[N@H+](C)CCO ZINC000899741981 584234943 /nfs/dbraw/zinc/23/49/43/584234943.db2.gz YFVBBXCRWRMOFG-VIFPVBQESA-N 1 0 234.296 -1.312 20 0 BAADRO CC(=O)NCC[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000899859383 584242892 /nfs/dbraw/zinc/24/28/92/584242892.db2.gz JELXGERSGRLJIZ-SECBINFHSA-N 1 0 216.281 -1.012 20 0 BAADRO CC(=O)NCC[NH2+]C[C@H](O)C1(O)CCC1 ZINC000899859384 584242461 /nfs/dbraw/zinc/24/24/61/584242461.db2.gz JELXGERSGRLJIZ-VIFPVBQESA-N 1 0 216.281 -1.012 20 0 BAADRO OCCOCC[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000899861109 584242454 /nfs/dbraw/zinc/24/24/54/584242454.db2.gz WCYJIARLFXONNQ-SECBINFHSA-N 1 0 219.281 -1.139 20 0 BAADRO OCCOCC[NH2+]C[C@H](O)C1(O)CCC1 ZINC000899861116 584242470 /nfs/dbraw/zinc/24/24/70/584242470.db2.gz WCYJIARLFXONNQ-VIFPVBQESA-N 1 0 219.281 -1.139 20 0 BAADRO C[N@@H+]1CCC[C@](O)(CC(=O)NCCO)C1 ZINC000899913851 584254496 /nfs/dbraw/zinc/25/44/96/584254496.db2.gz CLXQYSMWDVXJHN-JTQLQIEISA-N 1 0 216.281 -1.058 20 0 BAADRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCCO)C1 ZINC000899913852 584254097 /nfs/dbraw/zinc/25/40/97/584254097.db2.gz CLXQYSMWDVXJHN-SNVBAGLBSA-N 1 0 216.281 -1.058 20 0 BAADRO CN1CCO[C@H](C(=O)NCCC[NH+](C)C)C1=O ZINC000899919802 584252554 /nfs/dbraw/zinc/25/25/54/584252554.db2.gz GHEHWTUYVMRYFG-SECBINFHSA-N 1 0 243.307 -1.089 20 0 BAADRO CN1CCO[C@@H](C(=O)NCCC[NH+](C)C)C1=O ZINC000899919803 584252604 /nfs/dbraw/zinc/25/26/04/584252604.db2.gz GHEHWTUYVMRYFG-VIFPVBQESA-N 1 0 243.307 -1.089 20 0 BAADRO CN1CCO[C@H](C(=O)NCC[NH+](C)C)C1=O ZINC000899919841 584252339 /nfs/dbraw/zinc/25/23/39/584252339.db2.gz HKPJEXIYNQENQJ-MRVPVSSYSA-N 1 0 229.280 -1.479 20 0 BAADRO CN1CCO[C@@H](C(=O)NCC[NH+](C)C)C1=O ZINC000899919842 584252275 /nfs/dbraw/zinc/25/22/75/584252275.db2.gz HKPJEXIYNQENQJ-QMMMGPOBSA-N 1 0 229.280 -1.479 20 0 BAADRO C[NH+](C)CCNC(=O)CN1CCNC(=O)C1 ZINC000899920099 584252455 /nfs/dbraw/zinc/25/24/55/584252455.db2.gz JAFMITPITKPUIL-UHFFFAOYSA-N 1 0 228.296 -1.904 20 0 BAADRO C[NH+](C)CCNC(=O)[C@@H](O)C(C)(C)O ZINC000899920129 584252534 /nfs/dbraw/zinc/25/25/34/584252534.db2.gz KLNKYWPRLRTUDM-SSDOTTSWSA-N 1 0 204.270 -1.204 20 0 BAADRO C[NH+](C)CCNC(=O)[C@H](O)C(C)(C)O ZINC000899920130 584252566 /nfs/dbraw/zinc/25/25/66/584252566.db2.gz KLNKYWPRLRTUDM-ZETCQYMHSA-N 1 0 204.270 -1.204 20 0 BAADRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCCO ZINC000900144893 584277831 /nfs/dbraw/zinc/27/78/31/584277831.db2.gz RZBADJJFASDZDS-PSASIEDQSA-N 1 0 216.281 -1.060 20 0 BAADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCCO ZINC000900144894 584277743 /nfs/dbraw/zinc/27/77/43/584277743.db2.gz RZBADJJFASDZDS-SCZZXKLOSA-N 1 0 216.281 -1.060 20 0 BAADRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCCO ZINC000900144895 584278052 /nfs/dbraw/zinc/27/80/52/584278052.db2.gz RZBADJJFASDZDS-WCBMZHEXSA-N 1 0 216.281 -1.060 20 0 BAADRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCCO ZINC000900144896 584278228 /nfs/dbraw/zinc/27/82/28/584278228.db2.gz RZBADJJFASDZDS-WPRPVWTQSA-N 1 0 216.281 -1.060 20 0 BAADRO CN(CCO)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900145080 584277791 /nfs/dbraw/zinc/27/77/91/584277791.db2.gz YRRLHOLXLBFNNX-PSASIEDQSA-N 1 0 216.281 -1.108 20 0 BAADRO CN(CCO)C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900145081 584278240 /nfs/dbraw/zinc/27/82/40/584278240.db2.gz YRRLHOLXLBFNNX-SCZZXKLOSA-N 1 0 216.281 -1.108 20 0 BAADRO CN(CCO)C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900145082 584277972 /nfs/dbraw/zinc/27/79/72/584277972.db2.gz YRRLHOLXLBFNNX-WCBMZHEXSA-N 1 0 216.281 -1.108 20 0 BAADRO CN(CCO)C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900145083 584277870 /nfs/dbraw/zinc/27/78/70/584277870.db2.gz YRRLHOLXLBFNNX-WPRPVWTQSA-N 1 0 216.281 -1.108 20 0 BAADRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCOCCO ZINC000900146914 584278591 /nfs/dbraw/zinc/27/85/91/584278591.db2.gz TZNHIUQKNQAYTO-GXSJLCMTSA-N 1 0 246.307 -1.433 20 0 BAADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCOCCO ZINC000900146915 584278558 /nfs/dbraw/zinc/27/85/58/584278558.db2.gz TZNHIUQKNQAYTO-KOLCDFICSA-N 1 0 246.307 -1.433 20 0 BAADRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCOCCO ZINC000900146916 584278309 /nfs/dbraw/zinc/27/83/09/584278309.db2.gz TZNHIUQKNQAYTO-MWLCHTKSSA-N 1 0 246.307 -1.433 20 0 BAADRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCOCCO ZINC000900147092 584278486 /nfs/dbraw/zinc/27/84/86/584278486.db2.gz TZNHIUQKNQAYTO-ONGXEEELSA-N 1 0 246.307 -1.433 20 0 BAADRO C[C@H](O)CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900147451 584279205 /nfs/dbraw/zinc/27/92/05/584279205.db2.gz NCESPMKUPQNNNU-NRPADANISA-N 1 0 216.281 -1.062 20 0 BAADRO C[C@H](O)CNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900147452 584279511 /nfs/dbraw/zinc/27/95/11/584279511.db2.gz NCESPMKUPQNNNU-OYNCUSHFSA-N 1 0 216.281 -1.062 20 0 BAADRO C[C@H](O)CNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900147453 584279451 /nfs/dbraw/zinc/27/94/51/584279451.db2.gz NCESPMKUPQNNNU-QXFUBDJGSA-N 1 0 216.281 -1.062 20 0 BAADRO C[C@H](O)CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900147454 584279424 /nfs/dbraw/zinc/27/94/24/584279424.db2.gz NCESPMKUPQNNNU-XKSSXDPKSA-N 1 0 216.281 -1.062 20 0 BAADRO C[C@H](CO)NC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900150892 584279874 /nfs/dbraw/zinc/27/98/74/584279874.db2.gz ONHUDDDMNCZDGN-KHQFGBGNSA-N 1 0 216.281 -1.062 20 0 BAADRO C[C@H](CO)NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900150894 584280001 /nfs/dbraw/zinc/28/00/01/584280001.db2.gz ONHUDDDMNCZDGN-MRTMQBJTSA-N 1 0 216.281 -1.062 20 0 BAADRO C[C@H](CO)NC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900150895 584279919 /nfs/dbraw/zinc/27/99/19/584279919.db2.gz ONHUDDDMNCZDGN-NQMVMOMDSA-N 1 0 216.281 -1.062 20 0 BAADRO C[C@H](CO)NC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900150896 584280137 /nfs/dbraw/zinc/28/01/37/584280137.db2.gz ONHUDDDMNCZDGN-WEDXCCLWSA-N 1 0 216.281 -1.062 20 0 BAADRO C[C@H](CNC(=O)CN1CCNC(=O)C1)[NH+](C)C ZINC000900162841 584281434 /nfs/dbraw/zinc/28/14/34/584281434.db2.gz JKMJHHPYMRFBIV-SECBINFHSA-N 1 0 242.323 -1.516 20 0 BAADRO C[C@@H](CNC(=O)CN1CCNC(=O)C1)[NH+](C)C ZINC000900162842 584281261 /nfs/dbraw/zinc/28/12/61/584281261.db2.gz JKMJHHPYMRFBIV-VIFPVBQESA-N 1 0 242.323 -1.516 20 0 BAADRO C[C@H](CNC(=O)[C@@H]1OCCN(C)C1=O)[NH+](C)C ZINC000900162926 584281037 /nfs/dbraw/zinc/28/10/37/584281037.db2.gz KSRIHBLOGHZLKU-BDAKNGLRSA-N 1 0 243.307 -1.090 20 0 BAADRO C[C@@H](CNC(=O)[C@H]1OCCN(C)C1=O)[NH+](C)C ZINC000900162929 584281374 /nfs/dbraw/zinc/28/13/74/584281374.db2.gz KSRIHBLOGHZLKU-DTWKUNHWSA-N 1 0 243.307 -1.090 20 0 BAADRO C[C@@H](CNC(=O)[C@@H]1OCCN(C)C1=O)[NH+](C)C ZINC000900162930 584281484 /nfs/dbraw/zinc/28/14/84/584281484.db2.gz KSRIHBLOGHZLKU-IUCAKERBSA-N 1 0 243.307 -1.090 20 0 BAADRO C[C@H](CNC(=O)[C@H]1OCCN(C)C1=O)[NH+](C)C ZINC000900162931 584281005 /nfs/dbraw/zinc/28/10/05/584281005.db2.gz KSRIHBLOGHZLKU-RKDXNWHRSA-N 1 0 243.307 -1.090 20 0 BAADRO CN(CC(N)=O)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900203260 584285717 /nfs/dbraw/zinc/28/57/17/584285717.db2.gz DPCIRXBPRUNTIA-LLVKDONJSA-N 1 0 243.307 -1.223 20 0 BAADRO CN(CC(N)=O)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900203261 584285779 /nfs/dbraw/zinc/28/57/79/584285779.db2.gz DPCIRXBPRUNTIA-NSHDSACASA-N 1 0 243.307 -1.223 20 0 BAADRO CNC(=O)C(=O)N1CC[NH2+]C[C@H]1CCOC ZINC000900486389 584316535 /nfs/dbraw/zinc/31/65/35/584316535.db2.gz SBWSWCYVEZAXTD-MRVPVSSYSA-N 1 0 229.280 -1.431 20 0 BAADRO CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1CCOC ZINC000900486390 584316467 /nfs/dbraw/zinc/31/64/67/584316467.db2.gz SBWSWCYVEZAXTD-QMMMGPOBSA-N 1 0 229.280 -1.431 20 0 BAADRO CNC(=O)C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC000900487001 584316633 /nfs/dbraw/zinc/31/66/33/584316633.db2.gz FXJOBHSSOIGSGW-XVKPBYJWSA-N 1 0 211.265 -1.009 20 0 BAADRO CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1COC ZINC000900489252 584317008 /nfs/dbraw/zinc/31/70/08/584317008.db2.gz WGWBLNJOPGYXEC-SSDOTTSWSA-N 1 0 215.253 -1.821 20 0 BAADRO CNC(=O)C(=O)N1CC[NH2+]C[C@H]1COC ZINC000900489253 584316972 /nfs/dbraw/zinc/31/69/72/584316972.db2.gz WGWBLNJOPGYXEC-ZETCQYMHSA-N 1 0 215.253 -1.821 20 0 BAADRO COCC[N@H+](C)CCNC(=O)[C@H]1COC(=O)N1 ZINC000900516312 584320732 /nfs/dbraw/zinc/32/07/32/584320732.db2.gz AQEIQCVDDYUEOM-MRVPVSSYSA-N 1 0 245.279 -1.211 20 0 BAADRO COCC[N@H+](C)CCNC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000900517111 584320780 /nfs/dbraw/zinc/32/07/80/584320780.db2.gz GFUZYXQLKPBPFP-DTWKUNHWSA-N 1 0 243.307 -1.198 20 0 BAADRO COCC[N@H+](C)CCNC(=O)[C@@H](O)C(C)(C)O ZINC000900519579 584320919 /nfs/dbraw/zinc/32/09/19/584320919.db2.gz ZLUYUNZNBJNTFB-SECBINFHSA-N 1 0 248.323 -1.187 20 0 BAADRO COCC[N@H+](C)CCNC(=O)[C@H](O)C(C)(C)O ZINC000900519625 584320527 /nfs/dbraw/zinc/32/05/27/584320527.db2.gz ZLUYUNZNBJNTFB-VIFPVBQESA-N 1 0 248.323 -1.187 20 0 BAADRO CN(CC[NH+](C)C)C(=O)[C@H]1OCCN(C)C1=O ZINC000900926178 584366483 /nfs/dbraw/zinc/36/64/83/584366483.db2.gz FDBLEAMKILJMPT-SECBINFHSA-N 1 0 243.307 -1.136 20 0 BAADRO CN(CC[NH+](C)C)C(=O)[C@@H]1OCCN(C)C1=O ZINC000900926179 584366501 /nfs/dbraw/zinc/36/65/01/584366501.db2.gz FDBLEAMKILJMPT-VIFPVBQESA-N 1 0 243.307 -1.136 20 0 BAADRO CN(CC[NH+](C)C)C(=O)CN1CCNC(=O)C1 ZINC000900928529 637211757 /nfs/dbraw/zinc/21/17/57/637211757.db2.gz ZWFITKCJJNFABI-UHFFFAOYSA-N 1 0 242.323 -1.562 20 0 BAADRO O=C(NCCn1ncnn1)C12CC[NH+](CC1)C2 ZINC000901050805 584379057 /nfs/dbraw/zinc/37/90/57/584379057.db2.gz GFHMSERKFIBBCG-UHFFFAOYSA-N 1 0 236.279 -1.115 20 0 BAADRO O=C(NCCn1cnnn1)C12CC[NH+](CC1)C2 ZINC000901052233 584379494 /nfs/dbraw/zinc/37/94/94/584379494.db2.gz NCBMWOBMNPBIRA-UHFFFAOYSA-N 1 0 236.279 -1.115 20 0 BAADRO C[N@H+](CC(=O)NCC(=O)NCCO)C1CCC1 ZINC000901073132 584381671 /nfs/dbraw/zinc/38/16/71/584381671.db2.gz ZJZCNNLZASDSQT-UHFFFAOYSA-N 1 0 243.307 -1.305 20 0 BAADRO Cn1ncnc1NC(=O)[C@@]1(C)C[C@H](O)CN1C ZINC000901086824 584383282 /nfs/dbraw/zinc/38/32/82/584383282.db2.gz RTJCFWCNSZDZOV-OIBJUYFYSA-N 1 0 239.279 -1.369 20 0 BAADRO Cn1ncnc1NC(=O)[C@]1(C)C[C@@H](O)CN1C ZINC000901086825 584383356 /nfs/dbraw/zinc/38/33/56/584383356.db2.gz RTJCFWCNSZDZOV-XCBNKYQSSA-N 1 0 239.279 -1.369 20 0 BAADRO Cn1ncnc1NC(=O)[C@]1(C)C[C@H](O)CN1C ZINC000901086826 584383126 /nfs/dbraw/zinc/38/31/26/584383126.db2.gz RTJCFWCNSZDZOV-XVKPBYJWSA-N 1 0 239.279 -1.369 20 0 BAADRO C[NH2+]CC(=O)[N-]S(=O)(=O)N1CC[NH2+]CC1 ZINC000901093749 584384396 /nfs/dbraw/zinc/38/43/96/584384396.db2.gz JRJRBXCPPKMYLU-UHFFFAOYSA-N 1 0 236.297 -2.528 20 0 BAADRO O=C(NCC[NH+]1CCC1)[C@H]1COC(=O)N1 ZINC000901180129 584392022 /nfs/dbraw/zinc/39/20/22/584392022.db2.gz BLQHEVINEAGTHH-SSDOTTSWSA-N 1 0 213.237 -1.083 20 0 BAADRO CN1CCO[C@H](C(=O)NCC[NH+]2CCC2)C1=O ZINC000901181163 584392288 /nfs/dbraw/zinc/39/22/88/584392288.db2.gz KCIYLRZYXIKCPT-SECBINFHSA-N 1 0 241.291 -1.335 20 0 BAADRO CN1CCO[C@@H](C(=O)NCC[NH+]2CCC2)C1=O ZINC000901181164 584392356 /nfs/dbraw/zinc/39/23/56/584392356.db2.gz KCIYLRZYXIKCPT-VIFPVBQESA-N 1 0 241.291 -1.335 20 0 BAADRO O=C(CN1CCNC(=O)C1)NCC[NH+]1CCC1 ZINC000901182045 584391960 /nfs/dbraw/zinc/39/19/60/584391960.db2.gz YNJKDMHAFHMMCO-UHFFFAOYSA-N 1 0 240.307 -1.760 20 0 BAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH+]1CCC1 ZINC000901182201 584392015 /nfs/dbraw/zinc/39/20/15/584392015.db2.gz ZBDCCKYPXJDZCK-SFYZADRCSA-N 1 0 211.265 -1.070 20 0 BAADRO C[NH+](C)C[C@](C)(O)CNC(=O)[C@H](O)C(C)(C)O ZINC000901186947 584393439 /nfs/dbraw/zinc/39/34/39/584393439.db2.gz PXOMDLNKUBYZAP-GZMMTYOYSA-N 1 0 248.323 -1.453 20 0 BAADRO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H](O)C(C)(C)O ZINC000901186948 584393158 /nfs/dbraw/zinc/39/31/58/584393158.db2.gz PXOMDLNKUBYZAP-KCJUWKMLSA-N 1 0 248.323 -1.453 20 0 BAADRO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@H](O)C(C)(C)O ZINC000901186949 584393509 /nfs/dbraw/zinc/39/35/09/584393509.db2.gz PXOMDLNKUBYZAP-KWQFWETISA-N 1 0 248.323 -1.453 20 0 BAADRO C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H](O)C(C)(C)O ZINC000901186950 584393283 /nfs/dbraw/zinc/39/32/83/584393283.db2.gz PXOMDLNKUBYZAP-LDYMZIIASA-N 1 0 248.323 -1.453 20 0 BAADRO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000901189423 584393704 /nfs/dbraw/zinc/39/37/04/584393704.db2.gz VLROLCSDNNRKOV-RNSXUZJQSA-N 1 0 243.307 -1.463 20 0 BAADRO C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000901189424 584393970 /nfs/dbraw/zinc/39/39/70/584393970.db2.gz VLROLCSDNNRKOV-VAOFZXAKSA-N 1 0 243.307 -1.463 20 0 BAADRO C[N@@H+]1CCC[C@@](O)(CC(=O)NC(CO)CO)C1 ZINC000901276765 584413406 /nfs/dbraw/zinc/41/34/06/584413406.db2.gz ANHGPDFRQOQTAG-LLVKDONJSA-N 1 0 246.307 -1.697 20 0 BAADRO C[N@@H+]1CCC[C@](O)(CC(=O)NC(CO)CO)C1 ZINC000901276766 584413198 /nfs/dbraw/zinc/41/31/98/584413198.db2.gz ANHGPDFRQOQTAG-NSHDSACASA-N 1 0 246.307 -1.697 20 0 BAADRO C[C@@H](O)CNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000901283698 584421740 /nfs/dbraw/zinc/42/17/40/584421740.db2.gz NCESPMKUPQNNNU-KHQFGBGNSA-N 1 0 216.281 -1.062 20 0 BAADRO C[C@@H](O)CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000901283699 584421549 /nfs/dbraw/zinc/42/15/49/584421549.db2.gz NCESPMKUPQNNNU-MRTMQBJTSA-N 1 0 216.281 -1.062 20 0 BAADRO C[C@@H](O)CNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000901283700 584421474 /nfs/dbraw/zinc/42/14/74/584421474.db2.gz NCESPMKUPQNNNU-NQMVMOMDSA-N 1 0 216.281 -1.062 20 0 BAADRO C[C@@H](O)CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000901283701 584421404 /nfs/dbraw/zinc/42/14/04/584421404.db2.gz NCESPMKUPQNNNU-WEDXCCLWSA-N 1 0 216.281 -1.062 20 0 BAADRO CN(C[C@H](O)CO)C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000901288266 584422849 /nfs/dbraw/zinc/42/28/49/584422849.db2.gz UHRZPQNEPZVPDE-ATZCPNFKSA-N 1 0 246.307 -1.747 20 0 BAADRO CN(C[C@H](O)CO)C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000901288280 584422761 /nfs/dbraw/zinc/42/27/61/584422761.db2.gz UHRZPQNEPZVPDE-QXEWZRGKSA-N 1 0 246.307 -1.747 20 0 BAADRO CN(C[C@H](O)CO)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000901288284 584422551 /nfs/dbraw/zinc/42/25/51/584422551.db2.gz UHRZPQNEPZVPDE-WCABBAIRSA-N 1 0 246.307 -1.747 20 0 BAADRO CN(C[C@H](O)CO)C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000901288287 584422814 /nfs/dbraw/zinc/42/28/14/584422814.db2.gz UHRZPQNEPZVPDE-YWVKMMECSA-N 1 0 246.307 -1.747 20 0 BAADRO CN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(=O)N1 ZINC000901321416 584429771 /nfs/dbraw/zinc/42/97/71/584429771.db2.gz ARGOSXZYFQGZJG-MRVPVSSYSA-N 1 0 238.291 -1.456 20 0 BAADRO CN1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C(=O)N1 ZINC000901321419 584429881 /nfs/dbraw/zinc/42/98/81/584429881.db2.gz ARGOSXZYFQGZJG-QMMMGPOBSA-N 1 0 238.291 -1.456 20 0 BAADRO CN1C[C@@H](NC(=O)[C@H]2CCCN2C)C(=O)N1 ZINC000901321429 584430003 /nfs/dbraw/zinc/43/00/03/584430003.db2.gz AVMSBKYVYZTRSG-HTQZYQBOSA-N 1 0 226.280 -1.458 20 0 BAADRO CN1C[C@H](NC(=O)[C@H]2CCCN2C)C(=O)N1 ZINC000901321430 584429875 /nfs/dbraw/zinc/42/98/75/584429875.db2.gz AVMSBKYVYZTRSG-JGVFFNPUSA-N 1 0 226.280 -1.458 20 0 BAADRO CN1C[C@@H](NC(=O)[C@@H]2CCCN2C)C(=O)N1 ZINC000901321431 584429685 /nfs/dbraw/zinc/42/96/85/584429685.db2.gz AVMSBKYVYZTRSG-SFYZADRCSA-N 1 0 226.280 -1.458 20 0 BAADRO CN1C[C@H](NC(=O)[C@@H]2CCCN2C)C(=O)N1 ZINC000901321432 584429763 /nfs/dbraw/zinc/42/97/63/584429763.db2.gz AVMSBKYVYZTRSG-YUMQZZPRSA-N 1 0 226.280 -1.458 20 0 BAADRO CN1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C(=O)N1 ZINC000901323123 584430592 /nfs/dbraw/zinc/43/05/92/584430592.db2.gz OWEXSVLUTZSEHY-SECBINFHSA-N 1 0 240.307 -1.210 20 0 BAADRO CN1C[C@H](NC(=O)C2CC[NH+](C)CC2)C(=O)N1 ZINC000901323124 584430412 /nfs/dbraw/zinc/43/04/12/584430412.db2.gz OWEXSVLUTZSEHY-VIFPVBQESA-N 1 0 240.307 -1.210 20 0 BAADRO CN1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C(=O)N1 ZINC000901323138 584430546 /nfs/dbraw/zinc/43/05/46/584430546.db2.gz PIEXKEUNVYGISS-SECBINFHSA-N 1 0 240.307 -1.068 20 0 BAADRO CN1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C(=O)N1 ZINC000901323145 584430322 /nfs/dbraw/zinc/43/03/22/584430322.db2.gz PIEXKEUNVYGISS-VIFPVBQESA-N 1 0 240.307 -1.068 20 0 BAADRO C[NH+](C)CCOCCNC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000901340924 584427523 /nfs/dbraw/zinc/42/75/23/584427523.db2.gz IKQBQZDAPLAVJX-DTWKUNHWSA-N 1 0 243.307 -1.198 20 0 BAADRO C[NH+](C)CCOCCNC(=O)[C@H]1COC(=O)N1 ZINC000901341520 584428156 /nfs/dbraw/zinc/42/81/56/584428156.db2.gz QFFDCICYTSQGBQ-MRVPVSSYSA-N 1 0 245.279 -1.211 20 0 BAADRO C[NH+](C)CCOCCNC(=O)[C@@H](O)C(C)(C)O ZINC000901341733 584428167 /nfs/dbraw/zinc/42/81/67/584428167.db2.gz SLXLHTJVFAMGEL-SECBINFHSA-N 1 0 248.323 -1.187 20 0 BAADRO C[NH+](C)CCOCCNC(=O)[C@H](O)C(C)(C)O ZINC000901341734 584428124 /nfs/dbraw/zinc/42/81/24/584428124.db2.gz SLXLHTJVFAMGEL-VIFPVBQESA-N 1 0 248.323 -1.187 20 0 BAADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1CNC(=O)C1 ZINC000901344539 584434301 /nfs/dbraw/zinc/43/43/01/584434301.db2.gz JGBKNKDPDHIUNR-RNSXUZJQSA-N 1 0 241.291 -1.554 20 0 BAADRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CNC(=O)C1 ZINC000901344540 584434311 /nfs/dbraw/zinc/43/43/11/584434311.db2.gz JGBKNKDPDHIUNR-SOCHQFKDSA-N 1 0 241.291 -1.554 20 0 BAADRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1CNC(=O)C1 ZINC000901344541 584434367 /nfs/dbraw/zinc/43/43/67/584434367.db2.gz JGBKNKDPDHIUNR-VAOFZXAKSA-N 1 0 241.291 -1.554 20 0 BAADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CNC(=O)C1 ZINC000901344542 584433970 /nfs/dbraw/zinc/43/39/70/584433970.db2.gz JGBKNKDPDHIUNR-XLDPMVHQSA-N 1 0 241.291 -1.554 20 0 BAADRO Cn1nnnc1CCCN[C@@H]1C[NH2+]CCOC1 ZINC000902453604 584608281 /nfs/dbraw/zinc/60/82/81/584608281.db2.gz CMNIMAQUBSQCNA-SECBINFHSA-N 1 0 240.311 -1.279 20 0 BAADRO Cn1nnnc1CCCN[C@H]1C[NH2+]CCOC1 ZINC000902453605 584607923 /nfs/dbraw/zinc/60/79/23/584607923.db2.gz CMNIMAQUBSQCNA-VIFPVBQESA-N 1 0 240.311 -1.279 20 0 BAADRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]C[C@H](O)COC ZINC000902513673 584623502 /nfs/dbraw/zinc/62/35/02/584623502.db2.gz GSQHMEDBIYJKBO-AEJSXWLSSA-N 1 0 246.307 -1.123 20 0 BAADRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]C[C@H](O)COC ZINC000902513674 584626822 /nfs/dbraw/zinc/62/68/22/584626822.db2.gz GSQHMEDBIYJKBO-GUBZILKMSA-N 1 0 246.307 -1.123 20 0 BAADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@H](O)COC ZINC000902513675 584626867 /nfs/dbraw/zinc/62/68/67/584626867.db2.gz GSQHMEDBIYJKBO-IVZWLZJFSA-N 1 0 246.307 -1.123 20 0 BAADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C[C@H](O)COC ZINC000902513676 584626857 /nfs/dbraw/zinc/62/68/57/584626857.db2.gz GSQHMEDBIYJKBO-LPEHRKFASA-N 1 0 246.307 -1.123 20 0 BAADRO C[N@H+](CCO)CCNC(=O)C(=O)NC1CC1 ZINC000902792533 584673528 /nfs/dbraw/zinc/67/35/28/584673528.db2.gz BOFILZABONVGQK-UHFFFAOYSA-N 1 0 229.280 -1.695 20 0 BAADRO CNC(=O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000902808310 584671761 /nfs/dbraw/zinc/67/17/61/584671761.db2.gz ADOYWNZJCRIFJC-JIGDXULJSA-N 1 0 211.265 -1.249 20 0 BAADRO CN1CCO[C@H](CNC(=O)CCO)C1 ZINC000902833884 584678778 /nfs/dbraw/zinc/67/87/78/584678778.db2.gz PDVYJVKYLFYWRE-MRVPVSSYSA-N 1 0 202.254 -1.184 20 0 BAADRO CN1CCO[C@@H](CNC(=O)CCO)C1 ZINC000902833885 584678641 /nfs/dbraw/zinc/67/86/41/584678641.db2.gz PDVYJVKYLFYWRE-QMMMGPOBSA-N 1 0 202.254 -1.184 20 0 BAADRO CC[N@H+](CCO)CCNC(=O)CCO ZINC000902924016 584697123 /nfs/dbraw/zinc/69/71/23/584697123.db2.gz YDUVEIVAJHGCIR-UHFFFAOYSA-N 1 0 204.270 -1.201 20 0 BAADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CCO ZINC000902949078 584703740 /nfs/dbraw/zinc/70/37/40/584703740.db2.gz MOZOKVRNMMLFPJ-SECBINFHSA-N 1 0 243.307 -1.053 20 0 BAADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CCO ZINC000902949079 584703830 /nfs/dbraw/zinc/70/38/30/584703830.db2.gz MOZOKVRNMMLFPJ-VIFPVBQESA-N 1 0 243.307 -1.053 20 0 BAADRO C[NH+](C)CCN1CCN(C(=O)CCO)CC1=O ZINC000902949312 584704251 /nfs/dbraw/zinc/70/42/51/584704251.db2.gz UPPOIHVLLPHUTL-UHFFFAOYSA-N 1 0 243.307 -1.399 20 0 BAADRO CCO[C@H](CNC(=O)C(=O)NC)C[NH+](C)C ZINC000902971848 584713003 /nfs/dbraw/zinc/71/30/03/584713003.db2.gz FDFWYEODIVJXHV-MRVPVSSYSA-N 1 0 231.296 -1.185 20 0 BAADRO CCO[C@@H](CNC(=O)C(=O)NC)C[NH+](C)C ZINC000902971849 584712826 /nfs/dbraw/zinc/71/28/26/584712826.db2.gz FDFWYEODIVJXHV-QMMMGPOBSA-N 1 0 231.296 -1.185 20 0 BAADRO CNC(=O)C(=O)N1CCN(C)CCN(C)CC1 ZINC000903033033 584718703 /nfs/dbraw/zinc/71/87/03/584718703.db2.gz NVOUKLQZYRONAL-UHFFFAOYSA-N 1 0 242.323 -1.562 20 0 BAADRO NS(=O)(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000903036268 584719293 /nfs/dbraw/zinc/71/92/93/584719293.db2.gz XFVLLLKCVZVZLJ-BDAKNGLRSA-N 1 0 249.336 -1.279 20 0 BAADRO NS(=O)(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000903036269 584719542 /nfs/dbraw/zinc/71/95/42/584719542.db2.gz XFVLLLKCVZVZLJ-DTWKUNHWSA-N 1 0 249.336 -1.279 20 0 BAADRO NS(=O)(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000903036270 584719636 /nfs/dbraw/zinc/71/96/36/584719636.db2.gz XFVLLLKCVZVZLJ-IUCAKERBSA-N 1 0 249.336 -1.279 20 0 BAADRO NS(=O)(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000903036271 584719318 /nfs/dbraw/zinc/71/93/18/584719318.db2.gz XFVLLLKCVZVZLJ-RKDXNWHRSA-N 1 0 249.336 -1.279 20 0 BAADRO C[C@@H](CC(N)=O)[NH2+]C[C@@]1(CO)COCCN1C ZINC000903285549 584741240 /nfs/dbraw/zinc/74/12/40/584741240.db2.gz MXDGAXIGNAZRFM-GXSJLCMTSA-N 1 0 245.323 -1.467 20 0 BAADRO C[C@H](CC(N)=O)[NH2+]C[C@]1(CO)COCCN1C ZINC000903285550 584741219 /nfs/dbraw/zinc/74/12/19/584741219.db2.gz MXDGAXIGNAZRFM-KOLCDFICSA-N 1 0 245.323 -1.467 20 0 BAADRO C[C@H](CC(N)=O)[NH2+]C[C@@]1(CO)COCCN1C ZINC000903285551 584741046 /nfs/dbraw/zinc/74/10/46/584741046.db2.gz MXDGAXIGNAZRFM-MWLCHTKSSA-N 1 0 245.323 -1.467 20 0 BAADRO C[C@@H](CC(N)=O)[NH2+]C[C@]1(CO)COCCN1C ZINC000903285552 584741207 /nfs/dbraw/zinc/74/12/07/584741207.db2.gz MXDGAXIGNAZRFM-ONGXEEELSA-N 1 0 245.323 -1.467 20 0 BAADRO NC(=O)[C@@H]1CN(C[C@H]2CCC[NH2+]2)CCO1 ZINC000903434917 584762058 /nfs/dbraw/zinc/76/20/58/584762058.db2.gz MURFJJYWZFBIEK-BDAKNGLRSA-N 1 0 213.281 -1.076 20 0 BAADRO NC(=O)[C@H]1CN(C[C@H]2CCC[NH2+]2)CCO1 ZINC000903434924 584762353 /nfs/dbraw/zinc/76/23/53/584762353.db2.gz MURFJJYWZFBIEK-RKDXNWHRSA-N 1 0 213.281 -1.076 20 0 BAADRO CON1CC[C@H](N2CCO[C@H](C[NH3+])C2)C1=O ZINC000903449934 584772097 /nfs/dbraw/zinc/77/20/97/584772097.db2.gz XSDBOZWVZKCWFM-BDAKNGLRSA-N 1 0 229.280 -1.192 20 0 BAADRO CON1CC[C@@H](N2CCO[C@@H](C[NH3+])C2)C1=O ZINC000903449935 584772089 /nfs/dbraw/zinc/77/20/89/584772089.db2.gz XSDBOZWVZKCWFM-DTWKUNHWSA-N 1 0 229.280 -1.192 20 0 BAADRO CON1CC[C@H](N2CCO[C@@H](C[NH3+])C2)C1=O ZINC000903449936 584772152 /nfs/dbraw/zinc/77/21/52/584772152.db2.gz XSDBOZWVZKCWFM-IUCAKERBSA-N 1 0 229.280 -1.192 20 0 BAADRO CON1CC[C@@H](N2CCO[C@H](C[NH3+])C2)C1=O ZINC000903449937 584771968 /nfs/dbraw/zinc/77/19/68/584771968.db2.gz XSDBOZWVZKCWFM-RKDXNWHRSA-N 1 0 229.280 -1.192 20 0 BAADRO CON1CC[C@@H](N(C)C[C@H](O)C[NH3+])C1=O ZINC000903453824 584772770 /nfs/dbraw/zinc/77/27/70/584772770.db2.gz NDNXNLVUCIEDMI-HTQZYQBOSA-N 1 0 217.269 -1.600 20 0 BAADRO CON1CC[C@@H](N(C)C[C@@H](O)C[NH3+])C1=O ZINC000903453825 584772705 /nfs/dbraw/zinc/77/27/05/584772705.db2.gz NDNXNLVUCIEDMI-JGVFFNPUSA-N 1 0 217.269 -1.600 20 0 BAADRO CON1CC[C@H](N(C)C[C@H](O)C[NH3+])C1=O ZINC000903453826 584773056 /nfs/dbraw/zinc/77/30/56/584773056.db2.gz NDNXNLVUCIEDMI-SFYZADRCSA-N 1 0 217.269 -1.600 20 0 BAADRO CON1CC[C@H](N(C)C[C@@H](O)C[NH3+])C1=O ZINC000903453827 584772508 /nfs/dbraw/zinc/77/25/08/584772508.db2.gz NDNXNLVUCIEDMI-YUMQZZPRSA-N 1 0 217.269 -1.600 20 0 BAADRO [NH3+]CCN(CCOC1CC1)C[C@@H](O)CO ZINC000903463968 637364891 /nfs/dbraw/zinc/36/48/91/637364891.db2.gz UYBUGRVLPGXJON-SECBINFHSA-N 1 0 218.297 -1.221 20 0 BAADRO [NH3+]CCN(CCOC1CC1)C[C@H](O)CO ZINC000903463969 637364190 /nfs/dbraw/zinc/36/41/90/637364190.db2.gz UYBUGRVLPGXJON-VIFPVBQESA-N 1 0 218.297 -1.221 20 0 BAADRO CNS(=O)(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000903498223 584779854 /nfs/dbraw/zinc/77/98/54/584779854.db2.gz COUGIMJEDBTXMG-WDSKDSINSA-N 1 0 211.262 -1.260 20 0 BAADRO CNS(=O)(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000903500858 584780017 /nfs/dbraw/zinc/78/00/17/584780017.db2.gz ZWFPDYLFVPDIPU-RXMQYKEDSA-N 1 0 229.252 -1.011 20 0 BAADRO CNS(=O)(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000903500859 584780131 /nfs/dbraw/zinc/78/01/31/584780131.db2.gz ZWFPDYLFVPDIPU-YFKPBYRVSA-N 1 0 229.252 -1.011 20 0 BAADRO CNS(=O)(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000903509051 584780727 /nfs/dbraw/zinc/78/07/27/584780727.db2.gz CQFQQEYOTXILRT-PHDIDXHHSA-N 1 0 211.262 -1.178 20 0 BAADRO O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1CNOC1 ZINC000903520726 584781266 /nfs/dbraw/zinc/78/12/66/584781266.db2.gz VLUQURZYHSRSJS-SECBINFHSA-N 1 0 249.336 -1.191 20 0 BAADRO O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1CNOC1 ZINC000903520727 584781291 /nfs/dbraw/zinc/78/12/91/584781291.db2.gz VLUQURZYHSRSJS-VIFPVBQESA-N 1 0 249.336 -1.191 20 0 BAADRO C[C@H](C(=O)N(C)C)S(=O)(=O)NCC1([NH3+])CC1 ZINC000903524793 584781494 /nfs/dbraw/zinc/78/14/94/584781494.db2.gz ZDUIEINKDYRTQU-SSDOTTSWSA-N 1 0 249.336 -1.126 20 0 BAADRO C[C@@H](C(=O)N(C)C)S(=O)(=O)NCC1([NH3+])CC1 ZINC000903524794 584781463 /nfs/dbraw/zinc/78/14/63/584781463.db2.gz ZDUIEINKDYRTQU-ZETCQYMHSA-N 1 0 249.336 -1.126 20 0 BAADRO COCCN(C)S(=O)(=O)NCC1([NH3+])CC1 ZINC000903526309 584781706 /nfs/dbraw/zinc/78/17/06/584781706.db2.gz BOMOXPQQURTSCY-UHFFFAOYSA-N 1 0 237.325 -1.110 20 0 BAADRO NOCCCNS(=O)(=O)C1C[NH2+]C1 ZINC000903526343 584781885 /nfs/dbraw/zinc/78/18/85/584781885.db2.gz GICKPRARPSFJBH-UHFFFAOYSA-N 1 0 209.271 -1.842 20 0 BAADRO [NH3+]C1(CNS(=O)(=O)N2CCOCC2)CC1 ZINC000903526630 584781606 /nfs/dbraw/zinc/78/16/06/584781606.db2.gz GKLADSWRQHMMLF-UHFFFAOYSA-N 1 0 235.309 -1.356 20 0 BAADRO NOCCCNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000903526937 584781270 /nfs/dbraw/zinc/78/12/70/584781270.db2.gz OPHJLAAPZCLNDB-MRVPVSSYSA-N 1 0 237.325 -1.062 20 0 BAADRO NOCCCNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000903526940 584781281 /nfs/dbraw/zinc/78/12/81/584781281.db2.gz OPHJLAAPZCLNDB-QMMMGPOBSA-N 1 0 237.325 -1.062 20 0 BAADRO C[C@@H]1C[NH2+]C[C@H]1NS(=O)(=O)c1nncn1C ZINC000903527080 584781829 /nfs/dbraw/zinc/78/18/29/584781829.db2.gz SERFACQIMQPATM-RNFRBKRXSA-N 1 0 245.308 -1.299 20 0 BAADRO NOCCCNS(=O)(=O)N1CC[NH2+]CC1 ZINC000903527456 584781465 /nfs/dbraw/zinc/78/14/65/584781465.db2.gz WUTVQVYMFUGXBO-UHFFFAOYSA-N 1 0 238.313 -1.994 20 0 BAADRO C[C@@H]1C[NH2+]C[C@H]1NS(=O)(=O)c1cnnn1C ZINC000903528825 637369713 /nfs/dbraw/zinc/36/97/13/637369713.db2.gz XZOZIPFASVIQMJ-RNFRBKRXSA-N 1 0 245.308 -1.299 20 0 BAADRO CCN(CCC(=O)NC)S(=O)(=O)C1C[NH2+]C1 ZINC000903555714 584783059 /nfs/dbraw/zinc/78/30/59/584783059.db2.gz XYNMTVDZYOTNMM-UHFFFAOYSA-N 1 0 249.336 -1.254 20 0 BAADRO CNS(=O)(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000903559230 584782950 /nfs/dbraw/zinc/78/29/50/584782950.db2.gz HIXUEVQXOZKCDX-RRKCRQDMSA-N 1 0 205.283 -1.067 20 0 BAADRO Cn1cnc(CNS(=O)(=O)C2C[NH2+]C2)c1 ZINC000903559259 637367868 /nfs/dbraw/zinc/36/78/68/637367868.db2.gz IDTZDHYXTNVTBF-UHFFFAOYSA-N 1 0 230.293 -1.189 20 0 BAADRO CNS(=O)(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000903562663 584782572 /nfs/dbraw/zinc/78/25/72/584782572.db2.gz HIXUEVQXOZKCDX-DSYKOEDSSA-N 1 0 205.283 -1.067 20 0 BAADRO CNS(=O)(=O)N1CC[NH2+]C[C@H]1CCOC ZINC000903572933 584784024 /nfs/dbraw/zinc/78/40/24/584784024.db2.gz DVDSCUBEUAYGTN-MRVPVSSYSA-N 1 0 237.325 -1.239 20 0 BAADRO CNS(=O)(=O)N1CC[NH2+]C[C@@H]1CCOC ZINC000903572937 584784157 /nfs/dbraw/zinc/78/41/57/584784157.db2.gz DVDSCUBEUAYGTN-QMMMGPOBSA-N 1 0 237.325 -1.239 20 0 BAADRO COC[C@H]1CNCCN1S(=O)(=O)C1C[NH2+]C1 ZINC000903597617 584786349 /nfs/dbraw/zinc/78/63/49/584786349.db2.gz AEOQETUJFZKIPY-MRVPVSSYSA-N 1 0 249.336 -1.792 20 0 BAADRO COC[C@@H]1CNCCN1S(=O)(=O)C1C[NH2+]C1 ZINC000903597618 584786033 /nfs/dbraw/zinc/78/60/33/584786033.db2.gz AEOQETUJFZKIPY-QMMMGPOBSA-N 1 0 249.336 -1.792 20 0 BAADRO CCNS(=O)(=O)N1CC[NH2+]C[C@@H]1COC ZINC000903602135 637373895 /nfs/dbraw/zinc/37/38/95/637373895.db2.gz QYKRTXNEUHQCFA-MRVPVSSYSA-N 1 0 237.325 -1.239 20 0 BAADRO CCNS(=O)(=O)N1CC[NH2+]C[C@H]1COC ZINC000903602137 637374399 /nfs/dbraw/zinc/37/43/99/637374399.db2.gz QYKRTXNEUHQCFA-QMMMGPOBSA-N 1 0 237.325 -1.239 20 0 BAADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCOCC2)C1 ZINC000903711007 584792719 /nfs/dbraw/zinc/79/27/19/584792719.db2.gz OKOSSSHTZGEGCW-VIFPVBQESA-N 1 0 241.291 -1.205 20 0 BAADRO Cc1cn(C)nc1CN(CC[NH3+])C[C@H](O)CO ZINC000903768938 584797917 /nfs/dbraw/zinc/79/79/17/584797917.db2.gz VNDRSVHCUWSITF-JTQLQIEISA-N 1 0 242.323 -1.158 20 0 BAADRO Cc1cn(C)nc1CN(CC[NH3+])C[C@@H](O)CO ZINC000903768939 584798125 /nfs/dbraw/zinc/79/81/25/584798125.db2.gz VNDRSVHCUWSITF-SNVBAGLBSA-N 1 0 242.323 -1.158 20 0 BAADRO Cn1ccc(CN(CC[NH3+])C[C@H](O)CO)n1 ZINC000903769166 584798253 /nfs/dbraw/zinc/79/82/53/584798253.db2.gz YXUBETCDBUIWLI-JTQLQIEISA-N 1 0 228.296 -1.466 20 0 BAADRO Cn1ccc(CN(CC[NH3+])C[C@@H](O)CO)n1 ZINC000903769167 584798344 /nfs/dbraw/zinc/79/83/44/584798344.db2.gz YXUBETCDBUIWLI-SNVBAGLBSA-N 1 0 228.296 -1.466 20 0 BAADRO C[C@@H](O)CN(C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000903789851 637384462 /nfs/dbraw/zinc/38/44/62/637384462.db2.gz IGJYWBPUSFKUOS-BDAKNGLRSA-N 1 0 243.307 -1.225 20 0 BAADRO C[C@H](O)CN(C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000903789852 637383936 /nfs/dbraw/zinc/38/39/36/637383936.db2.gz IGJYWBPUSFKUOS-IUCAKERBSA-N 1 0 243.307 -1.225 20 0 BAADRO CN(CCO)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000903790037 637384522 /nfs/dbraw/zinc/38/45/22/637384522.db2.gz OYJBCRUEPMEUHE-QMMMGPOBSA-N 1 0 229.280 -1.613 20 0 BAADRO CN(CCO)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903792160 584798893 /nfs/dbraw/zinc/79/88/93/584798893.db2.gz IHBBWTIVYUUQSC-MRVPVSSYSA-N 1 0 243.307 -1.367 20 0 BAADRO CN(CCO)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903792161 584799441 /nfs/dbraw/zinc/79/94/41/584799441.db2.gz IHBBWTIVYUUQSC-QMMMGPOBSA-N 1 0 243.307 -1.367 20 0 BAADRO C[NH2+]CCN(C(=O)C(=O)N(C)CCO)C(C)C ZINC000903807037 584802598 /nfs/dbraw/zinc/80/25/98/584802598.db2.gz SXSCBGWZKRQGFE-UHFFFAOYSA-N 1 0 245.323 -1.107 20 0 BAADRO C[C@@H]1CN(CC[NH3+])C[C@H]1CS(N)(=O)=O ZINC000903827421 584805139 /nfs/dbraw/zinc/80/51/39/584805139.db2.gz SCTYBOHMYPBVKL-SFYZADRCSA-N 1 0 221.326 -1.199 20 0 BAADRO COCC[C@@H]1C[NH2+]CCN1CC(N)=O ZINC000903837070 584806429 /nfs/dbraw/zinc/80/64/29/584806429.db2.gz BICQROFIJFLWOB-MRVPVSSYSA-N 1 0 201.270 -1.218 20 0 BAADRO COCC[C@H]1C[NH2+]CCN1CC(N)=O ZINC000903837071 584806664 /nfs/dbraw/zinc/80/66/64/584806664.db2.gz BICQROFIJFLWOB-QMMMGPOBSA-N 1 0 201.270 -1.218 20 0 BAADRO COCC[C@@H]1C[NH2+]CCN1CC(=O)NC(N)=O ZINC000903837482 584806608 /nfs/dbraw/zinc/80/66/08/584806608.db2.gz LNVYZSVHEHBAAR-MRVPVSSYSA-N 1 0 244.295 -1.508 20 0 BAADRO COCC[C@H]1C[NH2+]CCN1CC(=O)NC(N)=O ZINC000903837483 584806661 /nfs/dbraw/zinc/80/66/61/584806661.db2.gz LNVYZSVHEHBAAR-QMMMGPOBSA-N 1 0 244.295 -1.508 20 0 BAADRO COCC[C@H]1C[NH2+]CCN1CCn1cnnn1 ZINC000903838605 584806503 /nfs/dbraw/zinc/80/65/03/584806503.db2.gz DJIHECRWJHKIEL-JTQLQIEISA-N 1 0 240.311 -1.017 20 0 BAADRO COCC[C@@H]1C[NH2+]CCN1CCn1cnnn1 ZINC000903838606 584806883 /nfs/dbraw/zinc/80/68/83/584806883.db2.gz DJIHECRWJHKIEL-SNVBAGLBSA-N 1 0 240.311 -1.017 20 0 BAADRO COC[C@H]1C[NH2+]CCN1Cc1nnnn1C ZINC000903880662 584816934 /nfs/dbraw/zinc/81/69/34/584816934.db2.gz LDUZNTCELVAFDF-MRVPVSSYSA-N 1 0 226.284 -1.370 20 0 BAADRO COC[C@@H]1C[NH2+]CCN1Cc1nnnn1C ZINC000903880663 584817280 /nfs/dbraw/zinc/81/72/80/584817280.db2.gz LDUZNTCELVAFDF-QMMMGPOBSA-N 1 0 226.284 -1.370 20 0 BAADRO COC[C@H]1C[NH2+]CCN1Cc1nnn(C)n1 ZINC000903881589 584817969 /nfs/dbraw/zinc/81/79/69/584817969.db2.gz SCVQVBNRJAEUDC-MRVPVSSYSA-N 1 0 226.284 -1.370 20 0 BAADRO COC[C@@H]1C[NH2+]CCN1Cc1nnn(C)n1 ZINC000903881591 584817807 /nfs/dbraw/zinc/81/78/07/584817807.db2.gz SCVQVBNRJAEUDC-QMMMGPOBSA-N 1 0 226.284 -1.370 20 0 BAADRO COC[C@H]1C[NH2+]CCN1CC(=O)N(C)C ZINC000903881970 584818016 /nfs/dbraw/zinc/81/80/16/584818016.db2.gz WGBNNAGPWDMVNG-SECBINFHSA-N 1 0 215.297 -1.005 20 0 BAADRO COC[C@@H]1C[NH2+]CCN1CC(=O)N(C)C ZINC000903881973 584817737 /nfs/dbraw/zinc/81/77/37/584817737.db2.gz WGBNNAGPWDMVNG-VIFPVBQESA-N 1 0 215.297 -1.005 20 0 BAADRO COC[C@H]1C[NH2+]CCN1CCc1nnnn1C ZINC000903882020 584817964 /nfs/dbraw/zinc/81/79/64/584817964.db2.gz JHHXNJWIZSITKV-SECBINFHSA-N 1 0 240.311 -1.327 20 0 BAADRO COC[C@@H]1C[NH2+]CCN1CCc1nnnn1C ZINC000903882021 584817672 /nfs/dbraw/zinc/81/76/72/584817672.db2.gz JHHXNJWIZSITKV-VIFPVBQESA-N 1 0 240.311 -1.327 20 0 BAADRO COC[C@H]1C[NH2+]CCN1CCn1cnnn1 ZINC000903882607 584818279 /nfs/dbraw/zinc/81/82/79/584818279.db2.gz OOZVSFDLUBTDSO-SECBINFHSA-N 1 0 226.284 -1.407 20 0 BAADRO COC[C@@H]1C[NH2+]CCN1CCn1cnnn1 ZINC000903882612 584818156 /nfs/dbraw/zinc/81/81/56/584818156.db2.gz OOZVSFDLUBTDSO-VIFPVBQESA-N 1 0 226.284 -1.407 20 0 BAADRO NC(=O)CN1CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1=O ZINC000904370826 584873260 /nfs/dbraw/zinc/87/32/60/584873260.db2.gz FFGBZOFNYOYLQH-DTORHVGOSA-N 1 0 240.307 -1.647 20 0 BAADRO Cn1[nH]cnc1=NC(=O)NCC1([NH3+])CC1 ZINC000904385878 584877821 /nfs/dbraw/zinc/87/78/21/584877821.db2.gz ISCKORHHKHJEKA-UHFFFAOYSA-N 1 0 210.241 -1.150 20 0 BAADRO CC(C)([NH3+])CN1CCN2[C@H](CNS2(=O)=O)C1 ZINC000904432627 637401324 /nfs/dbraw/zinc/40/13/24/637401324.db2.gz DJCLUIQDCCXKHV-MRVPVSSYSA-N 1 0 248.352 -1.442 20 0 BAADRO CC(C)([NH3+])CN1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000904432632 637400509 /nfs/dbraw/zinc/40/05/09/637400509.db2.gz DJCLUIQDCCXKHV-QMMMGPOBSA-N 1 0 248.352 -1.442 20 0 BAADRO CCN(C)C(=O)C(=O)N1CC[NH2+]C[C@@H]1COC ZINC000905014482 637547783 /nfs/dbraw/zinc/54/77/83/637547783.db2.gz KPICVLARIZHQBF-SECBINFHSA-N 1 0 243.307 -1.089 20 0 BAADRO CCN(C)C(=O)C(=O)N1CC[NH2+]C[C@H]1COC ZINC000905014483 637546196 /nfs/dbraw/zinc/54/61/96/637546196.db2.gz KPICVLARIZHQBF-VIFPVBQESA-N 1 0 243.307 -1.089 20 0 BAADRO CC[NH+](CC)CCNC(=O)CCNC(=O)CO ZINC000905019509 637552591 /nfs/dbraw/zinc/55/25/91/637552591.db2.gz XIUOUGXIBFNKLK-UHFFFAOYSA-N 1 0 245.323 -1.057 20 0 BAADRO CN(C)C(=O)C[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905028938 637577002 /nfs/dbraw/zinc/57/70/02/637577002.db2.gz XTVAOAQFEQCUBK-MRVPVSSYSA-N 1 0 216.281 -1.060 20 0 BAADRO CN(C)C(=O)C[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905028943 637578092 /nfs/dbraw/zinc/57/80/92/637578092.db2.gz XTVAOAQFEQCUBK-QMMMGPOBSA-N 1 0 216.281 -1.060 20 0 BAADRO CN1CCOC[C@]1(CO)CNC(N)=[NH2+] ZINC000905032575 637554292 /nfs/dbraw/zinc/55/42/92/637554292.db2.gz RJYBVERBCTUBQA-MRVPVSSYSA-N 1 0 202.258 -1.837 20 0 BAADRO CN1CCOC[C@@]1(CO)CNC(N)=[NH2+] ZINC000905032576 637554946 /nfs/dbraw/zinc/55/49/46/637554946.db2.gz RJYBVERBCTUBQA-QMMMGPOBSA-N 1 0 202.258 -1.837 20 0 BAADRO CN1CC[N@H+](C)CC(C(=O)NCCO)C1 ZINC000905038063 637556608 /nfs/dbraw/zinc/55/66/08/637556608.db2.gz SOZXCRQTSMDFKL-UHFFFAOYSA-N 1 0 215.297 -1.412 20 0 BAADRO C[NH+](C)CCCNC(=O)CCNC(=O)CO ZINC000905049493 637566990 /nfs/dbraw/zinc/56/69/90/637566990.db2.gz CDFLINMCQHUQJB-UHFFFAOYSA-N 1 0 231.296 -1.447 20 0 BAADRO C[NH+](C)CCNC(=O)CCNC(=O)CO ZINC000905051637 637568811 /nfs/dbraw/zinc/56/88/11/637568811.db2.gz YRSBBRNYTIGYRM-UHFFFAOYSA-N 1 0 217.269 -1.837 20 0 BAADRO CS(=O)(=O)CC[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905051847 637569664 /nfs/dbraw/zinc/56/96/64/637569664.db2.gz XUSUKLJQJGWDSC-MRVPVSSYSA-N 1 0 237.321 -1.104 20 0 BAADRO CS(=O)(=O)CC[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905051848 637568883 /nfs/dbraw/zinc/56/88/83/637568883.db2.gz XUSUKLJQJGWDSC-QMMMGPOBSA-N 1 0 237.321 -1.104 20 0 BAADRO COC(=O)CNC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000905081724 637583394 /nfs/dbraw/zinc/58/33/94/637583394.db2.gz QRTXMTTVPOXGCQ-UHFFFAOYSA-N 1 0 243.307 -1.231 20 0 BAADRO C[N@@H+]1CCCN(C(=O)CCNC(=O)CO)CC1 ZINC000905088577 637587893 /nfs/dbraw/zinc/58/78/93/637587893.db2.gz WJPDCJGTTRYJJV-UHFFFAOYSA-N 1 0 243.307 -1.351 20 0 BAADRO C[NH+](C)C(C)(C)CNC(=O)CCNC(=O)CO ZINC000905223572 637703429 /nfs/dbraw/zinc/70/34/29/637703429.db2.gz YQIPPINYLGHSBD-UHFFFAOYSA-N 1 0 245.323 -1.059 20 0 BAADRO CON(C)C(=O)C[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905287947 637739558 /nfs/dbraw/zinc/73/95/58/637739558.db2.gz JKQQJGALTSVQCG-MRVPVSSYSA-N 1 0 232.280 -1.128 20 0 BAADRO CON(C)C(=O)C[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905287948 637740003 /nfs/dbraw/zinc/74/00/03/637740003.db2.gz JKQQJGALTSVQCG-QMMMGPOBSA-N 1 0 232.280 -1.128 20 0 BAADRO C[C@@H](O)[C@@H](CO)[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905343874 637767581 /nfs/dbraw/zinc/76/75/81/637767581.db2.gz HMEMDRUFLRAOFU-BBBLOLIVSA-N 1 0 233.308 -1.016 20 0 BAADRO C[C@@H](O)[C@@H](CO)[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905343879 637767677 /nfs/dbraw/zinc/76/76/77/637767677.db2.gz HMEMDRUFLRAOFU-OPRDCNLKSA-N 1 0 233.308 -1.016 20 0 BAADRO OC[C@H](O)C[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000905343880 637766972 /nfs/dbraw/zinc/76/69/72/637766972.db2.gz HOSOUIZDCZQJMT-NXEZZACHSA-N 1 0 233.308 -1.015 20 0 BAADRO OC[C@@H](O)C[NH2+]C[C@@H](O)CC1(O)CCCC1 ZINC000905343881 637767899 /nfs/dbraw/zinc/76/78/99/637767899.db2.gz HOSOUIZDCZQJMT-UWVGGRQHSA-N 1 0 233.308 -1.015 20 0 BAADRO OC[C@H](O)C[NH2+]C[C@@H](O)CC1(O)CCCC1 ZINC000905343883 637767519 /nfs/dbraw/zinc/76/75/19/637767519.db2.gz HOSOUIZDCZQJMT-VHSXEESVSA-N 1 0 233.308 -1.015 20 0 BAADRO OC[C@@H](O)C[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000905343884 637767770 /nfs/dbraw/zinc/76/77/70/637767770.db2.gz HOSOUIZDCZQJMT-ZJUUUORDSA-N 1 0 233.308 -1.015 20 0 BAADRO OC[C@H](O)C[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905345477 637768001 /nfs/dbraw/zinc/76/80/01/637768001.db2.gz MPUNREIOMOKQKN-BDAKNGLRSA-N 1 0 219.281 -1.405 20 0 BAADRO OC[C@@H](O)C[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905345484 637767851 /nfs/dbraw/zinc/76/78/51/637767851.db2.gz MPUNREIOMOKQKN-DTWKUNHWSA-N 1 0 219.281 -1.405 20 0 BAADRO OC[C@@H](O)C[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905345485 637767106 /nfs/dbraw/zinc/76/71/06/637767106.db2.gz MPUNREIOMOKQKN-IUCAKERBSA-N 1 0 219.281 -1.405 20 0 BAADRO OC[C@H](O)C[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905345487 637768203 /nfs/dbraw/zinc/76/82/03/637768203.db2.gz MPUNREIOMOKQKN-RKDXNWHRSA-N 1 0 219.281 -1.405 20 0 BAADRO OC[C@H](O)C[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905345947 637767837 /nfs/dbraw/zinc/76/78/37/637767837.db2.gz OPHAUQWGHJGTCS-HTQZYQBOSA-N 1 0 205.254 -1.795 20 0 BAADRO OC[C@@H](O)C[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905345948 637767598 /nfs/dbraw/zinc/76/75/98/637767598.db2.gz OPHAUQWGHJGTCS-JGVFFNPUSA-N 1 0 205.254 -1.795 20 0 BAADRO OC[C@H](O)C[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905345949 637768207 /nfs/dbraw/zinc/76/82/07/637768207.db2.gz OPHAUQWGHJGTCS-SFYZADRCSA-N 1 0 205.254 -1.795 20 0 BAADRO OC[C@@H](O)C[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905345950 637768265 /nfs/dbraw/zinc/76/82/65/637768265.db2.gz OPHAUQWGHJGTCS-YUMQZZPRSA-N 1 0 205.254 -1.795 20 0 BAADRO CN(C)C[C@H](O)C[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905346818 637768099 /nfs/dbraw/zinc/76/80/99/637768099.db2.gz STHBABLRGJPNIK-NXEZZACHSA-N 1 0 232.324 -1.226 20 0 BAADRO CN(C)C[C@@H](O)C[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905346819 637767646 /nfs/dbraw/zinc/76/76/46/637767646.db2.gz STHBABLRGJPNIK-UWVGGRQHSA-N 1 0 232.324 -1.226 20 0 BAADRO CN(C)C[C@@H](O)C[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905346820 637768022 /nfs/dbraw/zinc/76/80/22/637768022.db2.gz STHBABLRGJPNIK-VHSXEESVSA-N 1 0 232.324 -1.226 20 0 BAADRO CN(C)C[C@H](O)C[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905346821 637767635 /nfs/dbraw/zinc/76/76/35/637767635.db2.gz STHBABLRGJPNIK-ZJUUUORDSA-N 1 0 232.324 -1.226 20 0 BAADRO C[C@@H](O)[C@@H](CO)[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905347057 637769473 /nfs/dbraw/zinc/76/94/73/637769473.db2.gz VEKHZMYOKYEZGF-HLTSFMKQSA-N 1 0 219.281 -1.406 20 0 BAADRO C[C@@H](O)[C@@H](CO)[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905347058 637769189 /nfs/dbraw/zinc/76/91/89/637769189.db2.gz VEKHZMYOKYEZGF-IWSPIJDZSA-N 1 0 219.281 -1.406 20 0 BAADRO COC[C@@H](O)C[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905351713 637770697 /nfs/dbraw/zinc/77/06/97/637770697.db2.gz BDNVCYYWZRETID-DTWKUNHWSA-N 1 0 219.281 -1.141 20 0 BAADRO COC[C@@H](O)C[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905351714 637771073 /nfs/dbraw/zinc/77/10/73/637771073.db2.gz BDNVCYYWZRETID-IUCAKERBSA-N 1 0 219.281 -1.141 20 0 BAADRO COC[C@H](O)C[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905352706 637772767 /nfs/dbraw/zinc/77/27/67/637772767.db2.gz BDNVCYYWZRETID-BDAKNGLRSA-N 1 0 219.281 -1.141 20 0 BAADRO COC[C@H](O)C[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905352707 637773677 /nfs/dbraw/zinc/77/36/77/637773677.db2.gz BDNVCYYWZRETID-RKDXNWHRSA-N 1 0 219.281 -1.141 20 0 BAADRO COC[C@@H](CO)[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905353527 637773179 /nfs/dbraw/zinc/77/31/79/637773179.db2.gz IQXZFMNMASOATQ-BDAKNGLRSA-N 1 0 219.281 -1.141 20 0 BAADRO COC[C@H](CO)[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905353528 637773725 /nfs/dbraw/zinc/77/37/25/637773725.db2.gz IQXZFMNMASOATQ-DTWKUNHWSA-N 1 0 219.281 -1.141 20 0 BAADRO COC[C@H](CO)[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905353529 637772756 /nfs/dbraw/zinc/77/27/56/637772756.db2.gz IQXZFMNMASOATQ-IUCAKERBSA-N 1 0 219.281 -1.141 20 0 BAADRO COC[C@@H](CO)[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905353530 637772634 /nfs/dbraw/zinc/77/26/34/637772634.db2.gz IQXZFMNMASOATQ-RKDXNWHRSA-N 1 0 219.281 -1.141 20 0 BAADRO C[C@@](O)(CO)C[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905354127 637773866 /nfs/dbraw/zinc/77/38/66/637773866.db2.gz MEOPLYWTQNBYBG-BDAKNGLRSA-N 1 0 219.281 -1.405 20 0 BAADRO C[C@](O)(CO)C[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905354328 637773315 /nfs/dbraw/zinc/77/33/15/637773315.db2.gz MEOPLYWTQNBYBG-DTWKUNHWSA-N 1 0 219.281 -1.405 20 0 BAADRO C[C@@](O)(CO)C[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905354329 637773854 /nfs/dbraw/zinc/77/38/54/637773854.db2.gz MEOPLYWTQNBYBG-IUCAKERBSA-N 1 0 219.281 -1.405 20 0 BAADRO C[C@](O)(CO)C[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905354330 637773908 /nfs/dbraw/zinc/77/39/08/637773908.db2.gz MEOPLYWTQNBYBG-RKDXNWHRSA-N 1 0 219.281 -1.405 20 0 BAADRO C[C@](O)(CO)C[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905354909 637773306 /nfs/dbraw/zinc/77/33/06/637773306.db2.gz PHIAATMAFWQEKB-NXEZZACHSA-N 1 0 233.308 -1.015 20 0 BAADRO C[C@@](O)(CO)C[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905354910 637773204 /nfs/dbraw/zinc/77/32/04/637773204.db2.gz PHIAATMAFWQEKB-UWVGGRQHSA-N 1 0 233.308 -1.015 20 0 BAADRO C[C@](O)(CO)C[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905354911 637773875 /nfs/dbraw/zinc/77/38/75/637773875.db2.gz PHIAATMAFWQEKB-VHSXEESVSA-N 1 0 233.308 -1.015 20 0 BAADRO C[C@@](O)(CO)C[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905354912 637773552 /nfs/dbraw/zinc/77/35/52/637773552.db2.gz PHIAATMAFWQEKB-ZJUUUORDSA-N 1 0 233.308 -1.015 20 0 BAADRO CC(CO)(CO)C[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905355005 637773756 /nfs/dbraw/zinc/77/37/56/637773756.db2.gz REPMGGUOALINKK-SECBINFHSA-N 1 0 233.308 -1.157 20 0 BAADRO CC(CO)(CO)C[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905355006 637774084 /nfs/dbraw/zinc/77/40/84/637774084.db2.gz REPMGGUOALINKK-VIFPVBQESA-N 1 0 233.308 -1.157 20 0 BAADRO C[NH2+]C[C@@H](O)CNC[C@@H](O)C1(O)CCCC1 ZINC000905355445 637774895 /nfs/dbraw/zinc/77/48/95/637774895.db2.gz XQKVACDVFYTHCH-NXEZZACHSA-N 1 0 232.324 -1.178 20 0 BAADRO C[NH2+]C[C@H](O)CNC[C@H](O)C1(O)CCCC1 ZINC000905355446 637775199 /nfs/dbraw/zinc/77/51/99/637775199.db2.gz XQKVACDVFYTHCH-UWVGGRQHSA-N 1 0 232.324 -1.178 20 0 BAADRO C[NH2+]C[C@H](O)CNC[C@@H](O)C1(O)CCCC1 ZINC000905355447 637775903 /nfs/dbraw/zinc/77/59/03/637775903.db2.gz XQKVACDVFYTHCH-VHSXEESVSA-N 1 0 232.324 -1.178 20 0 BAADRO C[NH2+]C[C@@H](O)CNC[C@H](O)C1(O)CCCC1 ZINC000905355448 637774803 /nfs/dbraw/zinc/77/48/03/637774803.db2.gz XQKVACDVFYTHCH-ZJUUUORDSA-N 1 0 232.324 -1.178 20 0 BAADRO COC(=O)[C@@H](O)C[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905361897 637774105 /nfs/dbraw/zinc/77/41/05/637774105.db2.gz RNSBZCVDZLUGOR-JGVFFNPUSA-N 1 0 233.264 -1.614 20 0 BAADRO COC(=O)[C@@H](O)C[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905361899 637773389 /nfs/dbraw/zinc/77/33/89/637773389.db2.gz RNSBZCVDZLUGOR-YUMQZZPRSA-N 1 0 233.264 -1.614 20 0 BAADRO COC(=O)[C@@H](O)C[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905362079 637781326 /nfs/dbraw/zinc/78/13/26/637781326.db2.gz SNGWSXOKUCANNT-DTWKUNHWSA-N 1 0 247.291 -1.224 20 0 BAADRO COC(=O)[C@@H](O)C[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905362080 637780798 /nfs/dbraw/zinc/78/07/98/637780798.db2.gz SNGWSXOKUCANNT-IUCAKERBSA-N 1 0 247.291 -1.224 20 0 BAADRO O[C@@H](C[NH2+][C@@H]1COC[C@H]1O)C1(O)CCC1 ZINC000905375103 637793084 /nfs/dbraw/zinc/79/30/84/637793084.db2.gz WRMKYTOSSKHWNP-HLTSFMKQSA-N 1 0 217.265 -1.388 20 0 BAADRO O[C@H](C[NH2+][C@@H]1COC[C@H]1O)C1(O)CCC1 ZINC000905375104 637792886 /nfs/dbraw/zinc/79/28/86/637792886.db2.gz WRMKYTOSSKHWNP-IWSPIJDZSA-N 1 0 217.265 -1.388 20 0 BAADRO CN(C)C[C@H](CO)[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905376231 637793196 /nfs/dbraw/zinc/79/31/96/637793196.db2.gz RWTNJOWZOWBSEO-NXEZZACHSA-N 1 0 232.324 -1.226 20 0 BAADRO CN(C)C[C@@H](CO)[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905376232 637792792 /nfs/dbraw/zinc/79/27/92/637792792.db2.gz RWTNJOWZOWBSEO-UWVGGRQHSA-N 1 0 232.324 -1.226 20 0 BAADRO CN(C)C[C@@H](CO)[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905376233 637793934 /nfs/dbraw/zinc/79/39/34/637793934.db2.gz RWTNJOWZOWBSEO-VHSXEESVSA-N 1 0 232.324 -1.226 20 0 BAADRO CN(C)C[C@H](CO)[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905376234 637793707 /nfs/dbraw/zinc/79/37/07/637793707.db2.gz RWTNJOWZOWBSEO-ZJUUUORDSA-N 1 0 232.324 -1.226 20 0 BAADRO O=C(CO)NCCC(=O)NCC[NH+]1CCCC1 ZINC000905380320 637782080 /nfs/dbraw/zinc/78/20/80/637782080.db2.gz KIGZCUGUHOJKFU-UHFFFAOYSA-N 1 0 243.307 -1.303 20 0 BAADRO O[C@H](C[NH2+]CCN1CC[C@@H](O)C1)C1(O)CCC1 ZINC000905393914 637807182 /nfs/dbraw/zinc/80/71/82/637807182.db2.gz CMRGWPAOWQZVSO-GHMZBOCLSA-N 1 0 244.335 -1.082 20 0 BAADRO O[C@@H](C[NH2+]CCN1CC[C@@H](O)C1)C1(O)CCC1 ZINC000905393915 637806615 /nfs/dbraw/zinc/80/66/15/637806615.db2.gz CMRGWPAOWQZVSO-MNOVXSKESA-N 1 0 244.335 -1.082 20 0 BAADRO O[C@@H](C[NH2+]CCN1CC[C@H](O)C1)C1(O)CCC1 ZINC000905397009 637808170 /nfs/dbraw/zinc/80/81/70/637808170.db2.gz CMRGWPAOWQZVSO-QWRGUYRKSA-N 1 0 244.335 -1.082 20 0 BAADRO O[C@H](C[NH2+]CCN1CC[C@H](O)C1)C1(O)CCC1 ZINC000905397010 637808051 /nfs/dbraw/zinc/80/80/51/637808051.db2.gz CMRGWPAOWQZVSO-WDEREUQCSA-N 1 0 244.335 -1.082 20 0 BAADRO O[C@H](C[NH2+][C@@H]1COC[C@@H]1O)C1(O)CCC1 ZINC000905401482 637797287 /nfs/dbraw/zinc/79/72/87/637797287.db2.gz WRMKYTOSSKHWNP-HRDYMLBCSA-N 1 0 217.265 -1.388 20 0 BAADRO O[C@@H](C[NH2+][C@@H]1COC[C@@H]1O)C1(O)CCC1 ZINC000905401483 637796660 /nfs/dbraw/zinc/79/66/60/637796660.db2.gz WRMKYTOSSKHWNP-VGMNWLOBSA-N 1 0 217.265 -1.388 20 0 BAADRO C[C@H](O)[C@H](O)C[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905402896 637796424 /nfs/dbraw/zinc/79/64/24/637796424.db2.gz CRKPNJQKONSPKH-AEJSXWLSSA-N 1 0 233.308 -1.016 20 0 BAADRO C[C@H](O)[C@@H](O)C[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905402897 637797406 /nfs/dbraw/zinc/79/74/06/637797406.db2.gz CRKPNJQKONSPKH-GUBZILKMSA-N 1 0 233.308 -1.016 20 0 BAADRO C[C@H](O)[C@H](O)C[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905402898 637797034 /nfs/dbraw/zinc/79/70/34/637797034.db2.gz CRKPNJQKONSPKH-IVZWLZJFSA-N 1 0 233.308 -1.016 20 0 BAADRO C[C@H](O)[C@@H](O)C[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905402899 637797581 /nfs/dbraw/zinc/79/75/81/637797581.db2.gz CRKPNJQKONSPKH-LPEHRKFASA-N 1 0 233.308 -1.016 20 0 BAADRO C[C@H](O)[C@@H](O)C[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905403751 637796582 /nfs/dbraw/zinc/79/65/82/637796582.db2.gz IREMMGSKCPHSTE-CIUDSAMLSA-N 1 0 219.281 -1.406 20 0 BAADRO C[C@H](O)[C@H](O)C[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905403752 637797155 /nfs/dbraw/zinc/79/71/55/637797155.db2.gz IREMMGSKCPHSTE-DJLDLDEBSA-N 1 0 219.281 -1.406 20 0 BAADRO C[C@H](O)[C@@H](O)C[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905403753 637797530 /nfs/dbraw/zinc/79/75/30/637797530.db2.gz IREMMGSKCPHSTE-XHNCKOQMSA-N 1 0 219.281 -1.406 20 0 BAADRO C[C@H](O)[C@H](O)C[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905403754 637797663 /nfs/dbraw/zinc/79/76/63/637797663.db2.gz IREMMGSKCPHSTE-YIZRAAEISA-N 1 0 219.281 -1.406 20 0 BAADRO C[C@H](O)C[NH2+]CCN(C)CCOCCO ZINC000905441417 637815724 /nfs/dbraw/zinc/81/57/24/637815724.db2.gz JVLHFDINEYTKAE-JTQLQIEISA-N 1 0 220.313 -1.103 20 0 BAADRO C[C@@H](O)C[NH2+]CCN(C)CCOCCO ZINC000905441418 637816565 /nfs/dbraw/zinc/81/65/65/637816565.db2.gz JVLHFDINEYTKAE-SNVBAGLBSA-N 1 0 220.313 -1.103 20 0 BAADRO CON(C)C(=O)CC[NH2+][C@H]1C[C@@H](O)[C@@H](O)C1 ZINC000905465686 637828109 /nfs/dbraw/zinc/82/81/09/637828109.db2.gz NWYYFWUQFADMAO-AYMMMOKOSA-N 1 0 232.280 -1.130 20 0 BAADRO CON(C)C(=O)CC[NH2+][C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC000905465687 637827717 /nfs/dbraw/zinc/82/77/17/637827717.db2.gz NWYYFWUQFADMAO-PSVAKVPMSA-N 1 0 232.280 -1.130 20 0 BAADRO O[C@H](C[NH2+][C@@H]1C[C@@H](O)[C@@H](O)C1)C1(O)CCC1 ZINC000905465728 637827355 /nfs/dbraw/zinc/82/73/55/637827355.db2.gz PBCYZACQQYBRQT-DOLQZWNJSA-N 1 0 231.292 -1.264 20 0 BAADRO O[C@@H](C[NH2+][C@H]1C[C@@H](O)[C@@H](O)C1)C1(O)CCC1 ZINC000905465729 637827806 /nfs/dbraw/zinc/82/78/06/637827806.db2.gz PBCYZACQQYBRQT-JXUBOQSCSA-N 1 0 231.292 -1.264 20 0 BAADRO O[C@@H](C[NH2+][C@@H]1C[C@@H](O)[C@@H](O)C1)C1(O)CCC1 ZINC000905465730 637827874 /nfs/dbraw/zinc/82/78/74/637827874.db2.gz PBCYZACQQYBRQT-QEYWKRMJSA-N 1 0 231.292 -1.264 20 0 BAADRO O[C@H](C[NH2+][C@H]1C[C@@H](O)[C@@H](O)C1)C1(O)CCC1 ZINC000905465731 637827239 /nfs/dbraw/zinc/82/72/39/637827239.db2.gz PBCYZACQQYBRQT-UTINFBMNSA-N 1 0 231.292 -1.264 20 0 BAADRO CCOC[C@@H](O)C[NH2+][C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC000905466068 637827563 /nfs/dbraw/zinc/82/75/63/637827563.db2.gz QEWVNYIVFQRGNM-AATLWQCWSA-N 1 0 219.281 -1.142 20 0 BAADRO CCOC[C@H](O)C[NH2+][C@H]1C[C@@H](O)[C@@H](O)C1 ZINC000905466070 637828154 /nfs/dbraw/zinc/82/81/54/637828154.db2.gz QEWVNYIVFQRGNM-DOLQZWNJSA-N 1 0 219.281 -1.142 20 0 BAADRO CCOC[C@H](O)C[NH2+][C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC000905466071 637827721 /nfs/dbraw/zinc/82/77/21/637827721.db2.gz QEWVNYIVFQRGNM-KYXWUPHJSA-N 1 0 219.281 -1.142 20 0 BAADRO CCOC[C@@H](O)C[NH2+][C@H]1C[C@@H](O)[C@@H](O)C1 ZINC000905466072 637827383 /nfs/dbraw/zinc/82/73/83/637827383.db2.gz QEWVNYIVFQRGNM-QEYWKRMJSA-N 1 0 219.281 -1.142 20 0 BAADRO CN(C[C@H](O)C[NH2+][C@@H]1C[C@@H](O)[C@@H](O)C1)C1CC1 ZINC000905469121 637829685 /nfs/dbraw/zinc/82/96/85/637829685.db2.gz YDUADPDAKKYGBV-HKWIRBFKSA-N 1 0 244.335 -1.085 20 0 BAADRO CN(C[C@@H](O)C[NH2+][C@H]1C[C@@H](O)[C@@H](O)C1)C1CC1 ZINC000905469122 637829411 /nfs/dbraw/zinc/82/94/11/637829411.db2.gz YDUADPDAKKYGBV-IXLVHKGHSA-N 1 0 244.335 -1.085 20 0 BAADRO CN(C[C@H](O)C[NH2+][C@H]1C[C@@H](O)[C@@H](O)C1)C1CC1 ZINC000905469123 637828662 /nfs/dbraw/zinc/82/86/62/637828662.db2.gz YDUADPDAKKYGBV-KXGXSXBTSA-N 1 0 244.335 -1.085 20 0 BAADRO CN(C[C@@H](O)C[NH2+][C@@H]1C[C@@H](O)[C@@H](O)C1)C1CC1 ZINC000905469124 637828940 /nfs/dbraw/zinc/82/89/40/637828940.db2.gz YDUADPDAKKYGBV-PDEGPIFNSA-N 1 0 244.335 -1.085 20 0 BAADRO O=C1NCCN1CC[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905481391 637818479 /nfs/dbraw/zinc/81/84/79/637818479.db2.gz MRPRDYAZBAKSHF-SECBINFHSA-N 1 0 243.307 -1.123 20 0 BAADRO O=C1NCCN1CC[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905481392 637818878 /nfs/dbraw/zinc/81/88/78/637818878.db2.gz MRPRDYAZBAKSHF-VIFPVBQESA-N 1 0 243.307 -1.123 20 0 BAADRO CN(C)S(=O)(=O)C1(C[NH2+]CCC(N)=O)CC1 ZINC000905482351 637819633 /nfs/dbraw/zinc/81/96/33/637819633.db2.gz SXRBEEJEEPMBTG-UHFFFAOYSA-N 1 0 249.336 -1.125 20 0 BAADRO CN(CCO)CC[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905488935 637835252 /nfs/dbraw/zinc/83/52/52/637835252.db2.gz GCLLODCYJZECGN-JTQLQIEISA-N 1 0 232.324 -1.224 20 0 BAADRO CN(CCO)CC[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905488937 637835057 /nfs/dbraw/zinc/83/50/57/637835057.db2.gz GCLLODCYJZECGN-SNVBAGLBSA-N 1 0 232.324 -1.224 20 0 BAADRO CON(C)C(=O)CC[NH2+]CCN(C)CCO ZINC000905488981 637834494 /nfs/dbraw/zinc/83/44/94/637834494.db2.gz HHYTYQXYUUZRMG-UHFFFAOYSA-N 1 0 233.312 -1.090 20 0 BAADRO CCOC[C@@H](O)C[NH2+]CCN(C)CCO ZINC000905490407 637835330 /nfs/dbraw/zinc/83/53/30/637835330.db2.gz RNEGWLPVHWXVLW-JTQLQIEISA-N 1 0 220.313 -1.103 20 0 BAADRO CCOC[C@H](O)C[NH2+]CCN(C)CCO ZINC000905490408 637834899 /nfs/dbraw/zinc/83/48/99/637834899.db2.gz RNEGWLPVHWXVLW-SNVBAGLBSA-N 1 0 220.313 -1.103 20 0 BAADRO COC[C@H](O)C[NH2+]CCN(C)CCO ZINC000905490696 637834582 /nfs/dbraw/zinc/83/45/82/637834582.db2.gz SHNXUMYMMACJBT-SECBINFHSA-N 1 0 206.286 -1.493 20 0 BAADRO COC[C@@H](O)C[NH2+]CCN(C)CCO ZINC000905490704 637835301 /nfs/dbraw/zinc/83/53/01/637835301.db2.gz SHNXUMYMMACJBT-VIFPVBQESA-N 1 0 206.286 -1.493 20 0 BAADRO CCS(=O)(=O)CC[NH2+]CCN(C)CCO ZINC000905490893 637834742 /nfs/dbraw/zinc/83/47/42/637834742.db2.gz UMTXNSGMODTXJC-UHFFFAOYSA-N 1 0 238.353 -1.065 20 0 BAADRO C[C@H](C[NH2+]CCN(C)CCO)S(C)(=O)=O ZINC000905490934 637835206 /nfs/dbraw/zinc/83/52/06/637835206.db2.gz URYWQAPZOLCVHV-SECBINFHSA-N 1 0 238.353 -1.067 20 0 BAADRO C[C@@H](C[NH2+]CCN(C)CCO)S(C)(=O)=O ZINC000905490935 637834726 /nfs/dbraw/zinc/83/47/26/637834726.db2.gz URYWQAPZOLCVHV-VIFPVBQESA-N 1 0 238.353 -1.067 20 0 BAADRO CN(CCO)CC[NH2+]C[C@@H](O)Cn1cccn1 ZINC000905491468 637836907 /nfs/dbraw/zinc/83/69/07/637836907.db2.gz VNBMIGBCHYBPBW-LLVKDONJSA-N 1 0 242.323 -1.242 20 0 BAADRO CN(CCO)CC[NH2+]C[C@H](O)Cn1cccn1 ZINC000905491474 637836048 /nfs/dbraw/zinc/83/60/48/637836048.db2.gz VNBMIGBCHYBPBW-NSHDSACASA-N 1 0 242.323 -1.242 20 0 BAADRO C[N@@H+]1CC[C@H]1CNC(=S)NCC(N)=O ZINC000905652822 637872605 /nfs/dbraw/zinc/87/26/05/637872605.db2.gz TURHJDOGWRQAHG-LURJTMIESA-N 1 0 216.310 -1.360 20 0 BAADRO C[N@@H+]1CC[C@@H]1CNC(=S)NCC(N)=O ZINC000905652829 637872061 /nfs/dbraw/zinc/87/20/61/637872061.db2.gz TURHJDOGWRQAHG-ZCFIWIBFSA-N 1 0 216.310 -1.360 20 0 BAADRO C[C@@](O)(C[C@@H](O)C[NH2+]C[C@@H](O)CO)C1CC1 ZINC000905709334 637892260 /nfs/dbraw/zinc/89/22/60/637892260.db2.gz KSNMDZZHOVYZDZ-GMTAPVOTSA-N 1 0 233.308 -1.159 20 0 BAADRO C[C@@](O)(C[C@H](O)C[NH2+]C[C@@H](O)CO)C1CC1 ZINC000905709335 637892723 /nfs/dbraw/zinc/89/27/23/637892723.db2.gz KSNMDZZHOVYZDZ-HBNTYKKESA-N 1 0 233.308 -1.159 20 0 BAADRO CC[N@H+](C)C[C@@H](O)CN1CC(O)(C(N)=O)C1 ZINC000905977146 637990571 /nfs/dbraw/zinc/99/05/71/637990571.db2.gz GFHVGHLSUIEGLB-MRVPVSSYSA-N 1 0 231.296 -2.169 20 0 BAADRO CC[N@H+](C)C[C@H](O)CN1CC(O)(C(N)=O)C1 ZINC000905977147 637991461 /nfs/dbraw/zinc/99/14/61/637991461.db2.gz GFHVGHLSUIEGLB-QMMMGPOBSA-N 1 0 231.296 -2.169 20 0 BAADRO CC(C)OCC[C@@H](O)CN1CC(O)(C(N)=O)C1 ZINC000905979258 638023644 /nfs/dbraw/zinc/02/36/44/638023644.db2.gz SXWZBWAAXIYPQJ-SECBINFHSA-N 1 0 246.307 -1.306 20 0 BAADRO CC(C)OCC[C@H](O)CN1CC(O)(C(N)=O)C1 ZINC000905979260 638023607 /nfs/dbraw/zinc/02/36/07/638023607.db2.gz SXWZBWAAXIYPQJ-VIFPVBQESA-N 1 0 246.307 -1.306 20 0 BAADRO CN(CCO)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906042814 638031664 /nfs/dbraw/zinc/03/16/64/638031664.db2.gz FNUFGRDGUYYICH-UHFFFAOYSA-N 1 0 229.324 -1.070 20 0 BAADRO C[C@@H](O)CNC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906046403 638035599 /nfs/dbraw/zinc/03/55/99/638035599.db2.gz FBFMUOZRGPHVGF-SECBINFHSA-N 1 0 229.324 -1.023 20 0 BAADRO C[C@H](O)CNC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906046404 638035642 /nfs/dbraw/zinc/03/56/42/638035642.db2.gz FBFMUOZRGPHVGF-VIFPVBQESA-N 1 0 229.324 -1.023 20 0 BAADRO C[C@H](CO)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906051517 638039307 /nfs/dbraw/zinc/03/93/07/638039307.db2.gz RJWKUCIZDCPANR-SECBINFHSA-N 1 0 229.324 -1.023 20 0 BAADRO C[C@@H](CO)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906051519 638038624 /nfs/dbraw/zinc/03/86/24/638038624.db2.gz RJWKUCIZDCPANR-VIFPVBQESA-N 1 0 229.324 -1.023 20 0 BAADRO C[C@H](CNC(=O)CCNC(=O)CO)[NH+](C)C ZINC000906074430 638055630 /nfs/dbraw/zinc/05/56/30/638055630.db2.gz VENDKMIPCJKJMW-MRVPVSSYSA-N 1 0 231.296 -1.449 20 0 BAADRO C[C@@H](CNC(=O)CCNC(=O)CO)[NH+](C)C ZINC000906074433 638055894 /nfs/dbraw/zinc/05/58/94/638055894.db2.gz VENDKMIPCJKJMW-QMMMGPOBSA-N 1 0 231.296 -1.449 20 0 BAADRO CC(C)C[C@@H]([NH3+])C(=O)NC1=NCC(=O)N1 ZINC000906091493 638048001 /nfs/dbraw/zinc/04/80/01/638048001.db2.gz HFYGHUUXRSMFSS-ZCFIWIBFSA-N 1 0 212.253 -1.038 20 0 BAADRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)CO ZINC000906123760 638065079 /nfs/dbraw/zinc/06/50/79/638065079.db2.gz NZWPTWKKBRAOFP-LLVKDONJSA-N 1 0 246.307 -1.216 20 0 BAADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)CO ZINC000906123762 638063120 /nfs/dbraw/zinc/06/31/20/638063120.db2.gz NZWPTWKKBRAOFP-NSHDSACASA-N 1 0 246.307 -1.216 20 0 BAADRO CN(CC(N)=O)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906162586 638099849 /nfs/dbraw/zinc/09/98/49/638099849.db2.gz DNRASILBSJSBBB-UHFFFAOYSA-N 1 0 242.323 -1.577 20 0 BAADRO C[N@H+](CCNC(=O)CCNC(=O)CO)C1CC1 ZINC000906405340 638158612 /nfs/dbraw/zinc/15/86/12/638158612.db2.gz RHXHINRWVDEXDX-UHFFFAOYSA-N 1 0 243.307 -1.305 20 0 BAADRO Cn1cc(CN[C@H]2C[C@H]([NH3+])C2)c(=O)n(C)c1=O ZINC000906508312 638179531 /nfs/dbraw/zinc/17/95/31/638179531.db2.gz MLSLUVSBDSGQGX-KYZUINATSA-N 1 0 238.291 -1.337 20 0 BAADRO Cn1cc(CNC2CC([NH3+])C2)c(=O)n(C)c1=O ZINC000906510090 638183920 /nfs/dbraw/zinc/18/39/20/638183920.db2.gz MLSLUVSBDSGQGX-UHFFFAOYSA-N 1 0 238.291 -1.337 20 0 BAADRO COCC[N@H+](C)CCNC(=O)CCC(N)=O ZINC000906521134 638189508 /nfs/dbraw/zinc/18/95/08/638189508.db2.gz PKVVPZDRYAVXLE-UHFFFAOYSA-N 1 0 231.296 -1.054 20 0 BAADRO C[N@@H+]1CCC[C@@H](NC(=O)CCNC(=O)CO)C1 ZINC000906583062 638219976 /nfs/dbraw/zinc/21/99/76/638219976.db2.gz BHCONKVGKHAGRX-SECBINFHSA-N 1 0 243.307 -1.305 20 0 BAADRO C[N@@H+]1CCC[C@H](NC(=O)CCNC(=O)CO)C1 ZINC000906583063 638218976 /nfs/dbraw/zinc/21/89/76/638218976.db2.gz BHCONKVGKHAGRX-VIFPVBQESA-N 1 0 243.307 -1.305 20 0 BAADRO C[N@@H+]1CCC[C@@H]1CNC(=O)CCNC(=O)CO ZINC000906676880 638232885 /nfs/dbraw/zinc/23/28/85/638232885.db2.gz PMUCHOFOEKTTHB-SECBINFHSA-N 1 0 243.307 -1.305 20 0 BAADRO C[N@@H+]1CCC[C@H]1CNC(=O)CCNC(=O)CO ZINC000906676883 638232585 /nfs/dbraw/zinc/23/25/85/638232585.db2.gz PMUCHOFOEKTTHB-VIFPVBQESA-N 1 0 243.307 -1.305 20 0 BAADRO C[C@H](CC[NH+](C)C)NC(=O)CCNC(=O)CO ZINC000906678691 638232105 /nfs/dbraw/zinc/23/21/05/638232105.db2.gz JHZDXPANRPULBM-SECBINFHSA-N 1 0 245.323 -1.059 20 0 BAADRO C[C@@H](CC[NH+](C)C)NC(=O)CCNC(=O)CO ZINC000906678694 638232443 /nfs/dbraw/zinc/23/24/43/638232443.db2.gz JHZDXPANRPULBM-VIFPVBQESA-N 1 0 245.323 -1.059 20 0 BAADRO CC(C)[N@H+](C)CCNC(=O)CCNC(=O)CO ZINC000906682600 638231822 /nfs/dbraw/zinc/23/18/22/638231822.db2.gz PUDSRGHLDRSLQA-UHFFFAOYSA-N 1 0 245.323 -1.059 20 0 BAADRO O=C1CN(C[C@@H](O)C[NH+]2CCCC2)CCN1 ZINC000906772222 638243969 /nfs/dbraw/zinc/24/39/69/638243969.db2.gz PCEHBBMULAOGRH-JTQLQIEISA-N 1 0 227.308 -1.125 20 0 BAADRO O=C1CN(C[C@H](O)C[NH+]2CCCC2)CCN1 ZINC000906772223 638244399 /nfs/dbraw/zinc/24/43/99/638244399.db2.gz PCEHBBMULAOGRH-SNVBAGLBSA-N 1 0 227.308 -1.125 20 0 BAADRO CN1CC[N@H+](C)CC(C(=O)NCCC(N)=O)C1 ZINC000906790944 638247957 /nfs/dbraw/zinc/24/79/57/638247957.db2.gz QYSHXEJZDLIWNW-UHFFFAOYSA-N 1 0 242.323 -1.529 20 0 BAADRO CN(CC[NH+](C)C)C(=O)CCNC(=O)CO ZINC000906882934 638261053 /nfs/dbraw/zinc/26/10/53/638261053.db2.gz PYOVPBUNYYJEIA-UHFFFAOYSA-N 1 0 231.296 -1.495 20 0 BAADRO CC1(C)CN(C(=O)CCNC(=O)CO)CC[NH2+]1 ZINC000906897622 638273515 /nfs/dbraw/zinc/27/35/15/638273515.db2.gz XLMKLJOMKNPEJN-UHFFFAOYSA-N 1 0 243.307 -1.305 20 0 BAADRO CN1CC[N@H+](C)CC(C(=O)N2CC(O)C2)C1 ZINC000906970527 638281489 /nfs/dbraw/zinc/28/14/89/638281489.db2.gz FWSQUOJPWGLLSS-UHFFFAOYSA-N 1 0 227.308 -1.317 20 0 BAADRO COC(=O)CC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000907117336 638304231 /nfs/dbraw/zinc/30/42/31/638304231.db2.gz XOJHBWODTHYUKE-JTQLQIEISA-N 1 0 232.280 -1.022 20 0 BAADRO COC(=O)CC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000907117337 638303700 /nfs/dbraw/zinc/30/37/00/638303700.db2.gz XOJHBWODTHYUKE-SNVBAGLBSA-N 1 0 232.280 -1.022 20 0 BAADRO CN1CC[N@H+](C)CC(C(=O)NC(CO)CO)C1 ZINC000907181574 638320007 /nfs/dbraw/zinc/32/00/07/638320007.db2.gz HOGWLULZFNPNCN-UHFFFAOYSA-N 1 0 245.323 -2.051 20 0 BAADRO CN(CCC[NH+](C)C)C(=O)CCNC(=O)CO ZINC000907221707 638323769 /nfs/dbraw/zinc/32/37/69/638323769.db2.gz TYGKALLMODOBDW-UHFFFAOYSA-N 1 0 245.323 -1.105 20 0 BAADRO C[NH+](C)CCOCCNC(=O)CCC(N)=O ZINC000907235108 638328222 /nfs/dbraw/zinc/32/82/22/638328222.db2.gz VEFTWTWRRBNVOR-UHFFFAOYSA-N 1 0 231.296 -1.054 20 0 BAADRO CN1CC[N@H+](C)CC(C(=O)N2CC(CO)C2)C1 ZINC000907338502 638348682 /nfs/dbraw/zinc/34/86/82/638348682.db2.gz SNPIICUOEOTZDI-UHFFFAOYSA-N 1 0 241.335 -1.070 20 0 BAADRO COC(=O)CC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000907386870 638369542 /nfs/dbraw/zinc/36/95/42/638369542.db2.gz FRLNGGJGGXLHMH-JTQLQIEISA-N 1 0 230.264 -1.268 20 0 BAADRO COC(=O)CC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000907386872 638369646 /nfs/dbraw/zinc/36/96/46/638369646.db2.gz FRLNGGJGGXLHMH-SNVBAGLBSA-N 1 0 230.264 -1.268 20 0 BAADRO C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@@H]2C(N)=O)C1 ZINC000907388272 638371589 /nfs/dbraw/zinc/37/15/89/638371589.db2.gz NOYWTCCRYKKLJM-RNSXUZJQSA-N 1 0 241.291 -1.709 20 0 BAADRO C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@@H]2C(N)=O)C1 ZINC000907388274 638370785 /nfs/dbraw/zinc/37/07/85/638370785.db2.gz NOYWTCCRYKKLJM-VAOFZXAKSA-N 1 0 241.291 -1.709 20 0 BAADRO C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC000907390469 638371110 /nfs/dbraw/zinc/37/11/10/638371110.db2.gz ZWUGTZZAPJBJJL-GMSGAONNSA-N 1 0 243.263 -1.722 20 0 BAADRO C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC000907390470 638371249 /nfs/dbraw/zinc/37/12/49/638371249.db2.gz ZWUGTZZAPJBJJL-XCBNKYQSSA-N 1 0 243.263 -1.722 20 0 BAADRO CC[N@H+](CCO)CCNC(=O)CCC(N)=O ZINC000907440717 638376369 /nfs/dbraw/zinc/37/63/69/638376369.db2.gz OIJJCQGJSWWUCM-UHFFFAOYSA-N 1 0 231.296 -1.318 20 0 BAADRO CC[N@H+](CCO)CCNC(=O)[C@H]1COC(=O)N1 ZINC000907440936 638377178 /nfs/dbraw/zinc/37/71/78/638377178.db2.gz TYRGAKZSGSKGNC-MRVPVSSYSA-N 1 0 245.279 -1.475 20 0 BAADRO CC[N@H+](CCO)CCNC(=O)CC(=O)OC ZINC000907441182 638378352 /nfs/dbraw/zinc/37/83/52/638378352.db2.gz VGXDKRMQFQLGGT-UHFFFAOYSA-N 1 0 232.280 -1.020 20 0 BAADRO CC[N@H+](CCO)CCNC(=O)[C@@H](O)C(C)(C)O ZINC000907441220 638378319 /nfs/dbraw/zinc/37/83/19/638378319.db2.gz WQAQGJFBNFORJO-SECBINFHSA-N 1 0 248.323 -1.451 20 0 BAADRO CC[N@H+](CCO)CCNC(=O)[C@H](O)C(C)(C)O ZINC000907441221 638378800 /nfs/dbraw/zinc/37/88/00/638378800.db2.gz WQAQGJFBNFORJO-VIFPVBQESA-N 1 0 248.323 -1.451 20 0 BAADRO CC[N@H+](CCO)CCNC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000907441289 638379120 /nfs/dbraw/zinc/37/91/20/638379120.db2.gz YVFYRKIDPJUYNU-DTWKUNHWSA-N 1 0 243.307 -1.462 20 0 BAADRO C[C@@H]1CN(C(=O)CCC(N)=O)CCN1CCO ZINC000907545086 638398501 /nfs/dbraw/zinc/39/85/01/638398501.db2.gz ZGWDTJPYYRCSKF-SECBINFHSA-N 1 0 243.307 -1.223 20 0 BAADRO C[C@H]1CN(C(=O)CCC(N)=O)CCN1CCO ZINC000907545088 638399063 /nfs/dbraw/zinc/39/90/63/638399063.db2.gz ZGWDTJPYYRCSKF-VIFPVBQESA-N 1 0 243.307 -1.223 20 0 BAADRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NC[C@@H](O)C(N)=O ZINC000907780383 638472260 /nfs/dbraw/zinc/47/22/60/638472260.db2.gz CNPLAJNQBLHUSP-HTQZYQBOSA-N 1 0 243.307 -1.178 20 0 BAADRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NC[C@@H](O)C(N)=O ZINC000907780384 638472139 /nfs/dbraw/zinc/47/21/39/638472139.db2.gz CNPLAJNQBLHUSP-JGVFFNPUSA-N 1 0 243.307 -1.178 20 0 BAADRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NC[C@H](O)C(N)=O ZINC000907780385 638471659 /nfs/dbraw/zinc/47/16/59/638471659.db2.gz CNPLAJNQBLHUSP-SFYZADRCSA-N 1 0 243.307 -1.178 20 0 BAADRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NC[C@H](O)C(N)=O ZINC000907780386 638471283 /nfs/dbraw/zinc/47/12/83/638471283.db2.gz CNPLAJNQBLHUSP-YUMQZZPRSA-N 1 0 243.307 -1.178 20 0 BAADRO C[NH+](C)C1CC(NC(=O)CCNC(=O)CO)C1 ZINC000908010532 638547765 /nfs/dbraw/zinc/54/77/65/638547765.db2.gz DTRCTXLXNLPZML-UHFFFAOYSA-N 1 0 243.307 -1.306 20 0 BAADRO CN1CC[N@H+](C)CC(C(=O)O[C@H]2CNOC2)C1 ZINC000908120130 638573109 /nfs/dbraw/zinc/57/31/09/638573109.db2.gz VEHMIUCEWJBVSX-JTQLQIEISA-N 1 0 243.307 -1.074 20 0 BAADRO CN(CCC(N)=O)C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000908170055 638584652 /nfs/dbraw/zinc/58/46/52/638584652.db2.gz IJRILOLFVGWZIL-GZMMTYOYSA-N 1 0 243.307 -1.225 20 0 BAADRO CN(CCC(N)=O)C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000908170056 638585151 /nfs/dbraw/zinc/58/51/51/638585151.db2.gz IJRILOLFVGWZIL-KCJUWKMLSA-N 1 0 243.307 -1.225 20 0 BAADRO CN(CCC(N)=O)C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000908170057 638585763 /nfs/dbraw/zinc/58/57/63/638585763.db2.gz IJRILOLFVGWZIL-KWQFWETISA-N 1 0 243.307 -1.225 20 0 BAADRO CN(CCC(N)=O)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000908170058 638584328 /nfs/dbraw/zinc/58/43/28/638584328.db2.gz IJRILOLFVGWZIL-LDYMZIIASA-N 1 0 243.307 -1.225 20 0 BAADRO C[C@@H](C[NH+](C)C)NC(=O)CN1CCNC(=O)C1 ZINC000908194435 638600531 /nfs/dbraw/zinc/60/05/31/638600531.db2.gz BSTQBTHKCYVUFZ-VIFPVBQESA-N 1 0 242.323 -1.516 20 0 BAADRO C[C@@H](C[NH+](C)C)NC(=O)CCNC(=O)CO ZINC000908195000 638600169 /nfs/dbraw/zinc/60/01/69/638600169.db2.gz JALVAAOQAPQLSM-QMMMGPOBSA-N 1 0 231.296 -1.449 20 0 BAADRO C[C@@H](C[NH+](C)C)NC(=O)[C@H]1OCCN(C)C1=O ZINC000908196409 638600830 /nfs/dbraw/zinc/60/08/30/638600830.db2.gz XFTAGOWHWMCTBI-DTWKUNHWSA-N 1 0 243.307 -1.090 20 0 BAADRO C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1OCCN(C)C1=O ZINC000908196410 638600739 /nfs/dbraw/zinc/60/07/39/638600739.db2.gz XFTAGOWHWMCTBI-IUCAKERBSA-N 1 0 243.307 -1.090 20 0 BAADRO COC(=O)CC(=O)N[C@@H](CO)C[NH+](C)C ZINC000908199312 638607690 /nfs/dbraw/zinc/60/76/90/638607690.db2.gz CQIKLFIOVOEMAP-SSDOTTSWSA-N 1 0 218.253 -1.412 20 0 BAADRO COC(=O)CC(=O)N[C@H](CO)C[NH+](C)C ZINC000908199313 638606652 /nfs/dbraw/zinc/60/66/52/638606652.db2.gz CQIKLFIOVOEMAP-ZETCQYMHSA-N 1 0 218.253 -1.412 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)Cc1c[nH]cn1 ZINC000908199955 638605826 /nfs/dbraw/zinc/60/58/26/638605826.db2.gz GKVOQZMXKADQOD-SECBINFHSA-N 1 0 226.280 -1.009 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)Cc1c[nH]cn1 ZINC000908199956 638606616 /nfs/dbraw/zinc/60/66/16/638606616.db2.gz GKVOQZMXKADQOD-VIFPVBQESA-N 1 0 226.280 -1.009 20 0 BAADRO C[C@@H](O)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000908200895 638609276 /nfs/dbraw/zinc/60/92/76/638609276.db2.gz CBJNKKCNOHJDQX-BDAKNGLRSA-N 1 0 216.281 -1.060 20 0 BAADRO C[C@H](O)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000908200896 638608485 /nfs/dbraw/zinc/60/84/85/638608485.db2.gz CBJNKKCNOHJDQX-DTWKUNHWSA-N 1 0 216.281 -1.060 20 0 BAADRO C[C@H](O)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000908200897 638610370 /nfs/dbraw/zinc/61/03/70/638610370.db2.gz CBJNKKCNOHJDQX-IUCAKERBSA-N 1 0 216.281 -1.060 20 0 BAADRO C[C@@H](O)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000908200898 638609602 /nfs/dbraw/zinc/60/96/02/638609602.db2.gz CBJNKKCNOHJDQX-RKDXNWHRSA-N 1 0 216.281 -1.060 20 0 BAADRO C/C=C/[C@H](O)C(=O)N[C@H](CO)C[NH+](C)C ZINC000908201522 638609040 /nfs/dbraw/zinc/60/90/40/638609040.db2.gz QCXQTFXCMWORQJ-HXQNXIEXSA-N 1 0 216.281 -1.038 20 0 BAADRO C/C=C\[C@H](O)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000908201523 638610049 /nfs/dbraw/zinc/61/00/49/638610049.db2.gz QCXQTFXCMWORQJ-KHTCFXRASA-N 1 0 216.281 -1.038 20 0 BAADRO C/C=C\[C@H](O)C(=O)N[C@H](CO)C[NH+](C)C ZINC000908201524 638610100 /nfs/dbraw/zinc/61/01/00/638610100.db2.gz QCXQTFXCMWORQJ-NSVKDGAOSA-N 1 0 216.281 -1.038 20 0 BAADRO C/C=C/[C@H](O)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000908201525 638608583 /nfs/dbraw/zinc/60/85/83/638608583.db2.gz QCXQTFXCMWORQJ-VJIGKBMESA-N 1 0 216.281 -1.038 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@@H](O)C(C)(C)O ZINC000908201800 638610772 /nfs/dbraw/zinc/61/07/72/638610772.db2.gz ROBYFHNIMLDEPO-HTQZYQBOSA-N 1 0 234.296 -1.843 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@@H](O)C(C)(C)O ZINC000908201801 638609507 /nfs/dbraw/zinc/60/95/07/638609507.db2.gz ROBYFHNIMLDEPO-JGVFFNPUSA-N 1 0 234.296 -1.843 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@H](O)C(C)(C)O ZINC000908201802 638609061 /nfs/dbraw/zinc/60/90/61/638609061.db2.gz ROBYFHNIMLDEPO-SFYZADRCSA-N 1 0 234.296 -1.843 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@H](O)C(C)(C)O ZINC000908201803 638610072 /nfs/dbraw/zinc/61/00/72/638610072.db2.gz ROBYFHNIMLDEPO-YUMQZZPRSA-N 1 0 234.296 -1.843 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)C[C@H]1CCNC1=O ZINC000908202241 638610015 /nfs/dbraw/zinc/61/00/15/638610015.db2.gz UCHMBPSQVLBRAX-BDAKNGLRSA-N 1 0 243.307 -1.449 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)C[C@@H]1CCNC1=O ZINC000908202242 638610790 /nfs/dbraw/zinc/61/07/90/638610790.db2.gz UCHMBPSQVLBRAX-DTWKUNHWSA-N 1 0 243.307 -1.449 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)C[C@@H]1CCNC1=O ZINC000908202243 638609530 /nfs/dbraw/zinc/60/95/30/638609530.db2.gz UCHMBPSQVLBRAX-IUCAKERBSA-N 1 0 243.307 -1.449 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)C[C@H]1CCNC1=O ZINC000908202244 638609378 /nfs/dbraw/zinc/60/93/78/638609378.db2.gz UCHMBPSQVLBRAX-RKDXNWHRSA-N 1 0 243.307 -1.449 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000908202245 638610833 /nfs/dbraw/zinc/61/08/33/638610833.db2.gz UDDRLRWJIKPQKX-BIIVOSGPSA-N 1 0 229.280 -1.854 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000908202250 638609641 /nfs/dbraw/zinc/60/96/41/638609641.db2.gz UDDRLRWJIKPQKX-GJMOJQLCSA-N 1 0 229.280 -1.854 20 0 BAADRO C[NH+](C)C[C@H](CO)NC(=O)CCC(N)=O ZINC000908202632 638608781 /nfs/dbraw/zinc/60/87/81/638608781.db2.gz WLFJDVCSFYOMGI-SSDOTTSWSA-N 1 0 217.269 -1.709 20 0 BAADRO C[NH+](C)C[C@@H](CO)NC(=O)CCC(N)=O ZINC000908202640 638610692 /nfs/dbraw/zinc/61/06/92/638610692.db2.gz WLFJDVCSFYOMGI-ZETCQYMHSA-N 1 0 217.269 -1.709 20 0 BAADRO NC(=O)CCC(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000908204848 638609800 /nfs/dbraw/zinc/60/98/00/638609800.db2.gz JWOFAQLMWXBPEE-SECBINFHSA-N 1 0 243.307 -1.175 20 0 BAADRO NC(=O)CCC(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000908204851 638609946 /nfs/dbraw/zinc/60/99/46/638609946.db2.gz JWOFAQLMWXBPEE-VIFPVBQESA-N 1 0 243.307 -1.175 20 0 BAADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@@H]1CC(=O)N1 ZINC000908205933 638608968 /nfs/dbraw/zinc/60/89/68/638608968.db2.gz YEIQRCBCOJJIIG-BDAKNGLRSA-N 1 0 241.291 -1.552 20 0 BAADRO O=C(N[C@H](CO)C[NH+]1CCCC1)[C@H]1CC(=O)N1 ZINC000908205934 638608658 /nfs/dbraw/zinc/60/86/58/638608658.db2.gz YEIQRCBCOJJIIG-DTWKUNHWSA-N 1 0 241.291 -1.552 20 0 BAADRO O=C(N[C@H](CO)C[NH+]1CCCC1)[C@@H]1CC(=O)N1 ZINC000908205935 638610156 /nfs/dbraw/zinc/61/01/56/638610156.db2.gz YEIQRCBCOJJIIG-IUCAKERBSA-N 1 0 241.291 -1.552 20 0 BAADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@H]1CC(=O)N1 ZINC000908205936 638610845 /nfs/dbraw/zinc/61/08/45/638610845.db2.gz YEIQRCBCOJJIIG-RKDXNWHRSA-N 1 0 241.291 -1.552 20 0 BAADRO O=C(CO)N[C@@H](CO)C[NH+]1CCCC1 ZINC000908206328 638611021 /nfs/dbraw/zinc/61/10/21/638611021.db2.gz ZHORNIQJTDXYGA-MRVPVSSYSA-N 1 0 202.254 -1.448 20 0 BAADRO O=C(CO)N[C@H](CO)C[NH+]1CCCC1 ZINC000908206329 638609304 /nfs/dbraw/zinc/60/93/04/638609304.db2.gz ZHORNIQJTDXYGA-QMMMGPOBSA-N 1 0 202.254 -1.448 20 0 BAADRO NC(=O)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000908208288 638613055 /nfs/dbraw/zinc/61/30/55/638613055.db2.gz NVQVHMSHMKRXTH-SSDOTTSWSA-N 1 0 215.253 -1.955 20 0 BAADRO NC(=O)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000908208289 638612200 /nfs/dbraw/zinc/61/22/00/638612200.db2.gz NVQVHMSHMKRXTH-ZETCQYMHSA-N 1 0 215.253 -1.955 20 0 BAADRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N[C@@H]1COC(=O)C1 ZINC000908316081 638638269 /nfs/dbraw/zinc/63/82/69/638638269.db2.gz NULRNNSSVJDAHO-DKCNOQQISA-N 1 0 242.275 -1.127 20 0 BAADRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N[C@@H]1COC(=O)C1 ZINC000908316082 638638783 /nfs/dbraw/zinc/63/87/83/638638783.db2.gz NULRNNSSVJDAHO-LAEOZQHASA-N 1 0 242.275 -1.127 20 0 BAADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1COC(=O)C1 ZINC000908316083 638639427 /nfs/dbraw/zinc/63/94/27/638639427.db2.gz NULRNNSSVJDAHO-RNSXUZJQSA-N 1 0 242.275 -1.127 20 0 BAADRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1COC(=O)C1 ZINC000908316084 638639688 /nfs/dbraw/zinc/63/96/88/638639688.db2.gz NULRNNSSVJDAHO-VAOFZXAKSA-N 1 0 242.275 -1.127 20 0 BAADRO C[C@H](CNC(=O)CCNC(=O)CO)C[NH+](C)C ZINC000908345312 638658033 /nfs/dbraw/zinc/65/80/33/638658033.db2.gz CSBDDKCKIKEQKK-SECBINFHSA-N 1 0 245.323 -1.201 20 0 BAADRO C[C@@H](CNC(=O)CCNC(=O)CO)C[NH+](C)C ZINC000908345313 638658437 /nfs/dbraw/zinc/65/84/37/638658437.db2.gz CSBDDKCKIKEQKK-VIFPVBQESA-N 1 0 245.323 -1.201 20 0 BAADRO O=C(N1CC(O)(CO)C1)C12CC[NH+](CC1)C2 ZINC000908478205 638748063 /nfs/dbraw/zinc/74/80/63/638748063.db2.gz KCIDLCJAMYRDKX-UHFFFAOYSA-N 1 0 226.276 -1.352 20 0 BAADRO C[NH+](C)CCONC(=O)CCNC(=O)CO ZINC000908525641 638997531 /nfs/dbraw/zinc/99/75/31/638997531.db2.gz HUOJLBRDDJZKKK-UHFFFAOYSA-N 1 0 233.268 -1.906 20 0 BAADRO Cn1cc(C(=O)NOCC[NH+](C)C)n(C)c1=O ZINC000908527462 638997942 /nfs/dbraw/zinc/99/79/42/638997942.db2.gz FRICRYYDHCXQRL-UHFFFAOYSA-N 1 0 242.279 -1.053 20 0 BAADRO C[NH+](C)CCONC(=O)CCC(N)=O ZINC000908528653 638999824 /nfs/dbraw/zinc/99/98/24/638999824.db2.gz YADWJGVJTZJFTD-UHFFFAOYSA-N 1 0 203.242 -1.139 20 0 BAADRO C[NH+](C)CCONC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000908528681 638999975 /nfs/dbraw/zinc/99/99/75/638999975.db2.gz ZCOWGQYPYVAYNR-NKWVEPMBSA-N 1 0 215.253 -1.283 20 0 BAADRO CN1C[C@H](O)C[C@@]1(C)C(=O)Nn1ccnn1 ZINC000908822407 639068769 /nfs/dbraw/zinc/06/87/69/639068769.db2.gz ZBMMIRPARDRSLW-APPZFPTMSA-N 1 0 225.252 -1.197 20 0 BAADRO CN1C[C@@H](O)C[C@@]1(C)C(=O)Nn1ccnn1 ZINC000908822408 639068534 /nfs/dbraw/zinc/06/85/34/639068534.db2.gz ZBMMIRPARDRSLW-CBAPKCEASA-N 1 0 225.252 -1.197 20 0 BAADRO CN1C[C@@H](O)C[C@]1(C)C(=O)Nn1ccnn1 ZINC000908822409 639069139 /nfs/dbraw/zinc/06/91/39/639069139.db2.gz ZBMMIRPARDRSLW-IONNQARKSA-N 1 0 225.252 -1.197 20 0 BAADRO CN1C[C@H](O)C[C@]1(C)C(=O)Nn1ccnn1 ZINC000908822410 639069220 /nfs/dbraw/zinc/06/92/20/639069220.db2.gz ZBMMIRPARDRSLW-VXNVDRBHSA-N 1 0 225.252 -1.197 20 0 BAADRO CC[NH+]1CCN(CC(=O)Nn2ccnn2)CC1 ZINC000908835174 639074555 /nfs/dbraw/zinc/07/45/55/639074555.db2.gz KCUDJLKJFMPEQN-UHFFFAOYSA-N 1 0 238.295 -1.014 20 0 BAADRO CN1CC[N@H+](C)CC(C(=O)Nn2ccnn2)C1 ZINC000908847068 639084136 /nfs/dbraw/zinc/08/41/36/639084136.db2.gz GZQOLPIIKNUXAT-UHFFFAOYSA-N 1 0 238.295 -1.158 20 0 BAADRO C[NH+](C)CC(C)(C)NC(=O)CCNC(=O)CO ZINC000909561467 636250099 /nfs/dbraw/zinc/25/00/99/636250099.db2.gz YXMLFXJKSSWERT-UHFFFAOYSA-N 1 0 245.323 -1.059 20 0 BAADRO COC(=O)[C@@](C)(CO)NC(=O)[C@H](C)[NH+](C)C ZINC000909583243 636288282 /nfs/dbraw/zinc/28/82/82/636288282.db2.gz BIQCVLUKBIIGOQ-OIBJUYFYSA-N 1 0 232.280 -1.023 20 0 BAADRO COC(=O)[C@](C)(CO)NC(=O)[C@H](C)[NH+](C)C ZINC000909583244 636288049 /nfs/dbraw/zinc/28/80/49/636288049.db2.gz BIQCVLUKBIIGOQ-XVKPBYJWSA-N 1 0 232.280 -1.023 20 0 BAADRO COC(=O)[C@@](C)(CO)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000909584942 636288011 /nfs/dbraw/zinc/28/80/11/636288011.db2.gz GYTSVACZONRKKM-GZMMTYOYSA-N 1 0 244.291 -1.022 20 0 BAADRO COC(=O)[C@](C)(CO)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000909584952 636287351 /nfs/dbraw/zinc/28/73/51/636287351.db2.gz GYTSVACZONRKKM-KCJUWKMLSA-N 1 0 244.291 -1.022 20 0 BAADRO COC(=O)[C@](C)(CO)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000909584954 636288226 /nfs/dbraw/zinc/28/82/26/636288226.db2.gz GYTSVACZONRKKM-KWQFWETISA-N 1 0 244.291 -1.022 20 0 BAADRO COC(=O)[C@@](C)(CO)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000909584956 636287814 /nfs/dbraw/zinc/28/78/14/636287814.db2.gz GYTSVACZONRKKM-LDYMZIIASA-N 1 0 244.291 -1.022 20 0 BAADRO COC(=O)[C@@](C)(CO)NC(=O)C[NH+](C)C ZINC000909587067 636292064 /nfs/dbraw/zinc/29/20/64/636292064.db2.gz URIGXVANNATXAH-SECBINFHSA-N 1 0 218.253 -1.412 20 0 BAADRO COC(=O)[C@](C)(CO)NC(=O)C[NH+](C)C ZINC000909587068 636290841 /nfs/dbraw/zinc/29/08/41/636290841.db2.gz URIGXVANNATXAH-VIFPVBQESA-N 1 0 218.253 -1.412 20 0 BAADRO COC(=O)[C@@](C)(CO)NC(=O)[C@@H](C)[NH+](C)C ZINC000909592272 636293554 /nfs/dbraw/zinc/29/35/54/636293554.db2.gz BIQCVLUKBIIGOQ-GMSGAONNSA-N 1 0 232.280 -1.023 20 0 BAADRO COC(=O)[C@](C)(CO)NC(=O)[C@@H](C)[NH+](C)C ZINC000909592273 636292437 /nfs/dbraw/zinc/29/24/37/636292437.db2.gz BIQCVLUKBIIGOQ-XCBNKYQSSA-N 1 0 232.280 -1.023 20 0 BAADRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1COCO1 ZINC000910297259 639415036 /nfs/dbraw/zinc/41/50/36/639415036.db2.gz WOCHOKRMMYWZLX-FXPVBKGRSA-N 1 0 244.291 -1.069 20 0 BAADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H]1COCO1 ZINC000910297293 639416260 /nfs/dbraw/zinc/41/62/60/639416260.db2.gz WOCHOKRMMYWZLX-KKZNHRDASA-N 1 0 244.291 -1.069 20 0 BAADRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1COCO1 ZINC000910297294 639416040 /nfs/dbraw/zinc/41/60/40/639416040.db2.gz WOCHOKRMMYWZLX-WCABBAIRSA-N 1 0 244.291 -1.069 20 0 BAADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H]1COCO1 ZINC000910297295 639415642 /nfs/dbraw/zinc/41/56/42/639415642.db2.gz WOCHOKRMMYWZLX-YWVKMMECSA-N 1 0 244.291 -1.069 20 0 BAADRO CC[C@H](C(=O)N1CC(S(N)(=O)=O)C1)[NH+](C)C ZINC000910514928 639468794 /nfs/dbraw/zinc/46/87/94/639468794.db2.gz HXFIOWRPEYEWHC-MRVPVSSYSA-N 1 0 249.336 -1.174 20 0 BAADRO CC[C@@H](C(=O)N1CC(S(N)(=O)=O)C1)[NH+](C)C ZINC000910514929 639468068 /nfs/dbraw/zinc/46/80/68/639468068.db2.gz HXFIOWRPEYEWHC-QMMMGPOBSA-N 1 0 249.336 -1.174 20 0 BAADRO CCC[N@H+](C)CC(=O)N1CC(S(N)(=O)=O)C1 ZINC000910518573 639471396 /nfs/dbraw/zinc/47/13/96/639471396.db2.gz AHDLJMLTPZJMKH-UHFFFAOYSA-N 1 0 249.336 -1.173 20 0 BAADRO C[NH+](C)CC(=O)N1CC(S(N)(=O)=O)C1 ZINC000910518981 639471158 /nfs/dbraw/zinc/47/11/58/639471158.db2.gz HLLCYSPLAGYTQP-UHFFFAOYSA-N 1 0 221.282 -1.953 20 0 BAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(S(N)(=O)=O)C2)C1 ZINC000910520397 639470514 /nfs/dbraw/zinc/47/05/14/639470514.db2.gz SUTKJBWZBUUXHQ-SSDOTTSWSA-N 1 0 247.320 -1.563 20 0 BAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(S(N)(=O)=O)C2)C1 ZINC000910520401 639469838 /nfs/dbraw/zinc/46/98/38/639469838.db2.gz SUTKJBWZBUUXHQ-ZETCQYMHSA-N 1 0 247.320 -1.563 20 0 BAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(S(N)(=O)=O)C1 ZINC000910520484 639471321 /nfs/dbraw/zinc/47/13/21/639471321.db2.gz UQJVXSOUCSZDAY-MRVPVSSYSA-N 1 0 247.320 -1.420 20 0 BAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(S(N)(=O)=O)C1 ZINC000910520487 639470712 /nfs/dbraw/zinc/47/07/12/639470712.db2.gz UQJVXSOUCSZDAY-QMMMGPOBSA-N 1 0 247.320 -1.420 20 0 BAADRO CC(C)[N@H+](C)CC(=O)N1CC(S(N)(=O)=O)C1 ZINC000910520870 639469916 /nfs/dbraw/zinc/46/99/16/639469916.db2.gz WMDYVEGZZFLGRJ-UHFFFAOYSA-N 1 0 249.336 -1.174 20 0 BAADRO CC[NH+](CC)CC(=O)N1CC(S(N)(=O)=O)C1 ZINC000910521294 639470006 /nfs/dbraw/zinc/47/00/06/639470006.db2.gz GMOHGEREEPIPSQ-UHFFFAOYSA-N 1 0 249.336 -1.173 20 0 BAADRO NS(=O)(=O)C1CN(C(=O)C[NH+]2CCCC2)C1 ZINC000910526045 639472522 /nfs/dbraw/zinc/47/25/22/639472522.db2.gz SIFKDLNPWJIBLK-UHFFFAOYSA-N 1 0 247.320 -1.419 20 0 BAADRO C[NH+](C)C1(C(=O)N2CC(S(N)(=O)=O)C2)CC1 ZINC000910533026 639474387 /nfs/dbraw/zinc/47/43/87/639474387.db2.gz PHPPIHCREQXXSP-UHFFFAOYSA-N 1 0 247.320 -1.420 20 0 BAADRO C[C@H](C(=O)N1CC(S(N)(=O)=O)C1)[NH+](C)C ZINC000910534215 639473903 /nfs/dbraw/zinc/47/39/03/639473903.db2.gz UQNWZVGPVLUKFV-ZCFIWIBFSA-N 1 0 235.309 -1.564 20 0 BAADRO CNC(=O)NCCNC(=O)[C@@H](C)[NH+](C)C ZINC000910889750 639524278 /nfs/dbraw/zinc/52/42/78/639524278.db2.gz XJAFRAFIQDOHJQ-SSDOTTSWSA-N 1 0 216.285 -1.018 20 0 BAADRO CNC(=O)NCCNC(=O)[C@H](C)[NH+](C)C ZINC000910889751 639525351 /nfs/dbraw/zinc/52/53/51/639525351.db2.gz XJAFRAFIQDOHJQ-ZETCQYMHSA-N 1 0 216.285 -1.018 20 0 BAADRO CNC(=O)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000910893584 639528468 /nfs/dbraw/zinc/52/84/68/639528468.db2.gz VBIGCTCWPVTAGH-MRVPVSSYSA-N 1 0 228.296 -1.017 20 0 BAADRO CNC(=O)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000910893586 639529847 /nfs/dbraw/zinc/52/98/47/639529847.db2.gz VBIGCTCWPVTAGH-QMMMGPOBSA-N 1 0 228.296 -1.017 20 0 BAADRO CNC(=O)NCCNC(=O)C[NH+](C)C ZINC000910899406 639530813 /nfs/dbraw/zinc/53/08/13/639530813.db2.gz XDCYQIOHJJOXEV-UHFFFAOYSA-N 1 0 202.258 -1.407 20 0 BAADRO C[NH+](C)C1(CNC(=O)CCNC(=O)CO)CC1 ZINC000910932007 639533040 /nfs/dbraw/zinc/53/30/40/639533040.db2.gz UYBIYLJTHSRBMM-UHFFFAOYSA-N 1 0 243.307 -1.305 20 0 BAADRO COC[C@H](C)CNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911072316 639572130 /nfs/dbraw/zinc/57/21/30/639572130.db2.gz ISQPZVAKFXEUDJ-MRVPVSSYSA-N 1 0 243.307 -1.007 20 0 BAADRO COC[C@@H](C)CNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911072317 639573232 /nfs/dbraw/zinc/57/32/32/639573232.db2.gz ISQPZVAKFXEUDJ-QMMMGPOBSA-N 1 0 243.307 -1.007 20 0 BAADRO CCOCCNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911087501 639579180 /nfs/dbraw/zinc/57/91/80/639579180.db2.gz JROIZBIOKLMIED-RKDXNWHRSA-N 1 0 243.307 -1.137 20 0 BAADRO CCOCCNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911088392 639579445 /nfs/dbraw/zinc/57/94/45/639579445.db2.gz PKDISUWRHXEURF-UHFFFAOYSA-N 1 0 229.280 -1.253 20 0 BAADRO CCOCCNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000911088493 639579548 /nfs/dbraw/zinc/57/95/48/639579548.db2.gz RJZFELYQPSAVBC-RKDXNWHRSA-N 1 0 243.307 -1.055 20 0 BAADRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CCOC1 ZINC000911194064 639594519 /nfs/dbraw/zinc/59/45/19/639594519.db2.gz LHPOBFSDFWUMSM-HRDYMLBCSA-N 1 0 241.291 -1.384 20 0 BAADRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CCOC1 ZINC000911194065 639593090 /nfs/dbraw/zinc/59/30/90/639593090.db2.gz LHPOBFSDFWUMSM-IWSPIJDZSA-N 1 0 241.291 -1.384 20 0 BAADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCOC2)C1 ZINC000911195531 639599236 /nfs/dbraw/zinc/59/92/36/639599236.db2.gz UOZXTDPKGRGTAB-DTWKUNHWSA-N 1 0 241.291 -1.159 20 0 BAADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CCOC2)C1 ZINC000911195532 639598737 /nfs/dbraw/zinc/59/87/37/639598737.db2.gz UOZXTDPKGRGTAB-IUCAKERBSA-N 1 0 241.291 -1.159 20 0 BAADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCOC2)C[C@H]1[NH3+] ZINC000911196428 639599274 /nfs/dbraw/zinc/59/92/74/639599274.db2.gz XNRCVCURMSOOOM-HRDYMLBCSA-N 1 0 241.291 -1.303 20 0 BAADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCOC2)C[C@H]1[NH3+] ZINC000911196430 639598612 /nfs/dbraw/zinc/59/86/12/639598612.db2.gz XNRCVCURMSOOOM-IWSPIJDZSA-N 1 0 241.291 -1.303 20 0 BAADRO [NH3+]C1(CNC(=O)C(=O)NC[C@H]2CCCO2)CC1 ZINC000911244342 639602686 /nfs/dbraw/zinc/60/26/86/639602686.db2.gz MNJMAUKPRGTKIN-MRVPVSSYSA-N 1 0 241.291 -1.111 20 0 BAADRO [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2CCCO2)CC1 ZINC000911244343 639603740 /nfs/dbraw/zinc/60/37/40/639603740.db2.gz MNJMAUKPRGTKIN-QMMMGPOBSA-N 1 0 241.291 -1.111 20 0 BAADRO COCCCNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911245784 639603830 /nfs/dbraw/zinc/60/38/30/639603830.db2.gz CIEXJGBFGLCOOT-UHFFFAOYSA-N 1 0 229.280 -1.253 20 0 BAADRO COCCCNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000911245808 639603350 /nfs/dbraw/zinc/60/33/50/639603350.db2.gz CXALKUODAMSGPV-RKDXNWHRSA-N 1 0 243.307 -1.055 20 0 BAADRO COCCCNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911247244 639603476 /nfs/dbraw/zinc/60/34/76/639603476.db2.gz OISAAMGMWBFEKC-RKDXNWHRSA-N 1 0 243.307 -1.137 20 0 BAADRO COC[C@@H]1COCCN1C(=O)C(=O)NCC[NH3+] ZINC000911267682 639613156 /nfs/dbraw/zinc/61/31/56/639613156.db2.gz SCZIOOBXACYJSD-MRVPVSSYSA-N 1 0 245.279 -2.065 20 0 BAADRO COC[C@H]1COCCN1C(=O)C(=O)NCC[NH3+] ZINC000911267683 639612402 /nfs/dbraw/zinc/61/24/02/639612402.db2.gz SCZIOOBXACYJSD-QMMMGPOBSA-N 1 0 245.279 -2.065 20 0 BAADRO C[C@@H]1COC[C@H]1NC(=O)C(=O)NCCC[NH3+] ZINC000911268105 639613246 /nfs/dbraw/zinc/61/32/46/639613246.db2.gz UXVMHKDEBTUCTP-HTQZYQBOSA-N 1 0 229.280 -1.398 20 0 BAADRO C[C@H]1COC[C@H]1NC(=O)C(=O)NCCC[NH3+] ZINC000911268106 639613531 /nfs/dbraw/zinc/61/35/31/639613531.db2.gz UXVMHKDEBTUCTP-JGVFFNPUSA-N 1 0 229.280 -1.398 20 0 BAADRO C[C@@H]1COC[C@@H]1NC(=O)C(=O)NCCC[NH3+] ZINC000911268108 639613054 /nfs/dbraw/zinc/61/30/54/639613054.db2.gz UXVMHKDEBTUCTP-SFYZADRCSA-N 1 0 229.280 -1.398 20 0 BAADRO C[C@H]1COC[C@@H]1NC(=O)C(=O)NCCC[NH3+] ZINC000911268110 639612440 /nfs/dbraw/zinc/61/24/40/639612440.db2.gz UXVMHKDEBTUCTP-YUMQZZPRSA-N 1 0 229.280 -1.398 20 0 BAADRO C[NH2+]CCCNC(=O)C(=O)N[C@H]1COC[C@H]1C ZINC000911270447 639608014 /nfs/dbraw/zinc/60/80/14/639608014.db2.gz NZEGZSRXPXXGHL-BDAKNGLRSA-N 1 0 243.307 -1.137 20 0 BAADRO C[NH2+]CCCNC(=O)C(=O)N[C@@H]1COC[C@@H]1C ZINC000911270448 639606720 /nfs/dbraw/zinc/60/67/20/639606720.db2.gz NZEGZSRXPXXGHL-DTWKUNHWSA-N 1 0 243.307 -1.137 20 0 BAADRO C[NH2+]CCCNC(=O)C(=O)N[C@H]1COC[C@@H]1C ZINC000911270449 639607174 /nfs/dbraw/zinc/60/71/74/639607174.db2.gz NZEGZSRXPXXGHL-IUCAKERBSA-N 1 0 243.307 -1.137 20 0 BAADRO C[NH2+]CCCNC(=O)C(=O)N[C@@H]1COC[C@H]1C ZINC000911270450 639607232 /nfs/dbraw/zinc/60/72/32/639607232.db2.gz NZEGZSRXPXXGHL-RKDXNWHRSA-N 1 0 243.307 -1.137 20 0 BAADRO C[C@@H]1COC[C@@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000911273419 639606763 /nfs/dbraw/zinc/60/67/63/639606763.db2.gz KNLUVCCHKQKMDP-HLTSFMKQSA-N 1 0 241.291 -1.384 20 0 BAADRO C[C@@H]1COC[C@H]1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000911273420 639607131 /nfs/dbraw/zinc/60/71/31/639607131.db2.gz KNLUVCCHKQKMDP-HRDYMLBCSA-N 1 0 241.291 -1.384 20 0 BAADRO C[C@@H]1COC[C@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000911273421 639606652 /nfs/dbraw/zinc/60/66/52/639606652.db2.gz KNLUVCCHKQKMDP-IWSPIJDZSA-N 1 0 241.291 -1.384 20 0 BAADRO C[C@@H]1COC[C@@H]1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000911273422 639607104 /nfs/dbraw/zinc/60/71/04/639607104.db2.gz KNLUVCCHKQKMDP-VGMNWLOBSA-N 1 0 241.291 -1.384 20 0 BAADRO CCO[C@H]1CCN(C(=O)C(=O)NCC[NH2+]C)C1 ZINC000911279093 639606186 /nfs/dbraw/zinc/60/61/86/639606186.db2.gz BNQQGZIBLBIIHL-VIFPVBQESA-N 1 0 243.307 -1.041 20 0 BAADRO C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1COC[C@@H]1C ZINC000911281409 639611918 /nfs/dbraw/zinc/61/19/18/639611918.db2.gz OGLDOGPQWWOWDJ-BIIVOSGPSA-N 1 0 229.280 -1.399 20 0 BAADRO C[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1COC[C@H]1C ZINC000911281410 639612060 /nfs/dbraw/zinc/61/20/60/639612060.db2.gz OGLDOGPQWWOWDJ-CSMHCCOUSA-N 1 0 229.280 -1.399 20 0 BAADRO C[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1COC[C@@H]1C ZINC000911281411 639613193 /nfs/dbraw/zinc/61/31/93/639613193.db2.gz OGLDOGPQWWOWDJ-FXQIFTODSA-N 1 0 229.280 -1.399 20 0 BAADRO C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1COC[C@H]1C ZINC000911281412 639613462 /nfs/dbraw/zinc/61/34/62/639613462.db2.gz OGLDOGPQWWOWDJ-GJMOJQLCSA-N 1 0 229.280 -1.399 20 0 BAADRO CC[NH2+]CCNC(=O)C(=O)N[C@H]1COC[C@H]1C ZINC000911282411 639616518 /nfs/dbraw/zinc/61/65/18/639616518.db2.gz PZIYCVXAMMGYBQ-BDAKNGLRSA-N 1 0 243.307 -1.137 20 0 BAADRO CC[NH2+]CCNC(=O)C(=O)N[C@@H]1COC[C@@H]1C ZINC000911282412 639616084 /nfs/dbraw/zinc/61/60/84/639616084.db2.gz PZIYCVXAMMGYBQ-DTWKUNHWSA-N 1 0 243.307 -1.137 20 0 BAADRO CC[NH2+]CCNC(=O)C(=O)N[C@H]1COC[C@@H]1C ZINC000911282413 639617190 /nfs/dbraw/zinc/61/71/90/639617190.db2.gz PZIYCVXAMMGYBQ-IUCAKERBSA-N 1 0 243.307 -1.137 20 0 BAADRO CC[NH2+]CCNC(=O)C(=O)N[C@@H]1COC[C@H]1C ZINC000911282414 639616950 /nfs/dbraw/zinc/61/69/50/639616950.db2.gz PZIYCVXAMMGYBQ-RKDXNWHRSA-N 1 0 243.307 -1.137 20 0 BAADRO C[NH2+]CCNC(=O)C(=O)N[C@@H]1COC[C@H]1C ZINC000911283023 639617116 /nfs/dbraw/zinc/61/71/16/639617116.db2.gz WSIHRRNNZMZHHM-HTQZYQBOSA-N 1 0 229.280 -1.527 20 0 BAADRO C[NH2+]CCNC(=O)C(=O)N[C@@H]1COC[C@@H]1C ZINC000911283026 639616714 /nfs/dbraw/zinc/61/67/14/639616714.db2.gz WSIHRRNNZMZHHM-JGVFFNPUSA-N 1 0 229.280 -1.527 20 0 BAADRO C[NH2+]CCNC(=O)C(=O)N[C@H]1COC[C@H]1C ZINC000911283027 639617429 /nfs/dbraw/zinc/61/74/29/639617429.db2.gz WSIHRRNNZMZHHM-SFYZADRCSA-N 1 0 229.280 -1.527 20 0 BAADRO C[NH2+]CCNC(=O)C(=O)N[C@H]1COC[C@@H]1C ZINC000911283029 639617095 /nfs/dbraw/zinc/61/70/95/639617095.db2.gz WSIHRRNNZMZHHM-YUMQZZPRSA-N 1 0 229.280 -1.527 20 0 BAADRO C[C@@H]1COC[C@H]1NC(=O)C(=O)NC1C[NH2+]C1 ZINC000911287774 639619140 /nfs/dbraw/zinc/61/91/40/639619140.db2.gz HNHPHPPPTMFWMK-HTRCEHHLSA-N 1 0 227.264 -1.775 20 0 BAADRO C[C@H]1COC[C@H]1NC(=O)C(=O)NC1C[NH2+]C1 ZINC000911287775 639618734 /nfs/dbraw/zinc/61/87/34/639618734.db2.gz HNHPHPPPTMFWMK-POYBYMJQSA-N 1 0 227.264 -1.775 20 0 BAADRO C[C@@H]1COC[C@@H]1NC(=O)C(=O)NC1C[NH2+]C1 ZINC000911287776 639618211 /nfs/dbraw/zinc/61/82/11/639618211.db2.gz HNHPHPPPTMFWMK-SVRRBLITSA-N 1 0 227.264 -1.775 20 0 BAADRO C[C@H]1COC[C@@H]1NC(=O)C(=O)NC1C[NH2+]C1 ZINC000911287777 639619026 /nfs/dbraw/zinc/61/90/26/639619026.db2.gz HNHPHPPPTMFWMK-XPUUQOCRSA-N 1 0 227.264 -1.775 20 0 BAADRO CCO[C@H]1CCN(C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000911288173 639619138 /nfs/dbraw/zinc/61/91/38/639619138.db2.gz LUPJCGUDZWPINO-VIFPVBQESA-N 1 0 241.291 -1.288 20 0 BAADRO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1COC[C@H]1C ZINC000911291069 639613337 /nfs/dbraw/zinc/61/33/37/639613337.db2.gz IXCYUMHDDKNFNB-HLTSFMKQSA-N 1 0 243.307 -1.152 20 0 BAADRO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1COC[C@@H]1C ZINC000911291070 639613437 /nfs/dbraw/zinc/61/34/37/639613437.db2.gz IXCYUMHDDKNFNB-HRDYMLBCSA-N 1 0 243.307 -1.152 20 0 BAADRO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1COC[C@H]1C ZINC000911291071 639612755 /nfs/dbraw/zinc/61/27/55/639612755.db2.gz IXCYUMHDDKNFNB-IWSPIJDZSA-N 1 0 243.307 -1.152 20 0 BAADRO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1COC[C@@H]1C ZINC000911291072 639612390 /nfs/dbraw/zinc/61/23/90/639612390.db2.gz IXCYUMHDDKNFNB-VGMNWLOBSA-N 1 0 243.307 -1.152 20 0 BAADRO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1COC[C@@H]1C ZINC000911294084 639614614 /nfs/dbraw/zinc/61/46/14/639614614.db2.gz GKYDAKKAVMSFCL-DJLDLDEBSA-N 1 0 243.307 -1.009 20 0 BAADRO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H]1COC[C@H]1C ZINC000911294086 639615042 /nfs/dbraw/zinc/61/50/42/639615042.db2.gz GKYDAKKAVMSFCL-HLTSFMKQSA-N 1 0 243.307 -1.009 20 0 BAADRO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1COC[C@H]1C ZINC000911294087 639613793 /nfs/dbraw/zinc/61/37/93/639613793.db2.gz GKYDAKKAVMSFCL-IWSPIJDZSA-N 1 0 243.307 -1.009 20 0 BAADRO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H]1COC[C@@H]1C ZINC000911294089 639614742 /nfs/dbraw/zinc/61/47/42/639614742.db2.gz GKYDAKKAVMSFCL-YIZRAAEISA-N 1 0 243.307 -1.009 20 0 BAADRO C[C@@H]1COC[C@H]1NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000911295556 639615561 /nfs/dbraw/zinc/61/55/61/639615561.db2.gz GUPYMKZYOKFGFB-HTQZYQBOSA-N 1 0 243.307 -1.009 20 0 BAADRO C[C@H]1COC[C@H]1NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000911295559 639614307 /nfs/dbraw/zinc/61/43/07/639614307.db2.gz GUPYMKZYOKFGFB-JGVFFNPUSA-N 1 0 243.307 -1.009 20 0 BAADRO C[C@@H]1COC[C@@H]1NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000911295561 639614397 /nfs/dbraw/zinc/61/43/97/639614397.db2.gz GUPYMKZYOKFGFB-SFYZADRCSA-N 1 0 243.307 -1.009 20 0 BAADRO C[C@H]1COC[C@@H]1NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000911295563 639615435 /nfs/dbraw/zinc/61/54/35/639615435.db2.gz GUPYMKZYOKFGFB-YUMQZZPRSA-N 1 0 243.307 -1.009 20 0 BAADRO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1COC[C@@H]1C ZINC000911298859 639614012 /nfs/dbraw/zinc/61/40/12/639614012.db2.gz YAOLKSKYMAYZAI-BIIVOSGPSA-N 1 0 229.280 -1.399 20 0 BAADRO C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1COC[C@H]1C ZINC000911298860 639615069 /nfs/dbraw/zinc/61/50/69/639615069.db2.gz YAOLKSKYMAYZAI-BWZBUEFSSA-N 1 0 229.280 -1.399 20 0 BAADRO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1COC[C@H]1C ZINC000911298861 639613862 /nfs/dbraw/zinc/61/38/62/639613862.db2.gz YAOLKSKYMAYZAI-CSMHCCOUSA-N 1 0 229.280 -1.399 20 0 BAADRO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1COC[C@@H]1C ZINC000911298862 639614596 /nfs/dbraw/zinc/61/45/96/639614596.db2.gz YAOLKSKYMAYZAI-FXQIFTODSA-N 1 0 229.280 -1.399 20 0 BAADRO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1COC[C@H]1C ZINC000911298863 639615638 /nfs/dbraw/zinc/61/56/38/639615638.db2.gz YAOLKSKYMAYZAI-GJMOJQLCSA-N 1 0 229.280 -1.399 20 0 BAADRO C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1COC[C@H]1C ZINC000911298864 639615309 /nfs/dbraw/zinc/61/53/09/639615309.db2.gz YAOLKSKYMAYZAI-PRJMDXOYSA-N 1 0 229.280 -1.399 20 0 BAADRO C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1COC[C@@H]1C ZINC000911298865 639614774 /nfs/dbraw/zinc/61/47/74/639614774.db2.gz YAOLKSKYMAYZAI-RNJXMRFFSA-N 1 0 229.280 -1.399 20 0 BAADRO C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1COC[C@@H]1C ZINC000911298866 639614518 /nfs/dbraw/zinc/61/45/18/639614518.db2.gz YAOLKSKYMAYZAI-XLPZGREQSA-N 1 0 229.280 -1.399 20 0 BAADRO C[C@H]1COC[C@@H]1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000911326582 639620057 /nfs/dbraw/zinc/62/00/57/639620057.db2.gz KNLUVCCHKQKMDP-CIUDSAMLSA-N 1 0 241.291 -1.384 20 0 BAADRO C[C@H]1COC[C@H]1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000911326583 639620643 /nfs/dbraw/zinc/62/06/43/639620643.db2.gz KNLUVCCHKQKMDP-XHNCKOQMSA-N 1 0 241.291 -1.384 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1COC[C@@H]1C ZINC000911338987 639624826 /nfs/dbraw/zinc/62/48/26/639624826.db2.gz UAJQQVDEQHRXMX-CIUDSAMLSA-N 1 0 243.307 -1.138 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1COC[C@H]1C ZINC000911338988 639623175 /nfs/dbraw/zinc/62/31/75/639623175.db2.gz UAJQQVDEQHRXMX-HRDYMLBCSA-N 1 0 243.307 -1.138 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1COC[C@H]1C ZINC000911338989 639624411 /nfs/dbraw/zinc/62/44/11/639624411.db2.gz UAJQQVDEQHRXMX-VGMNWLOBSA-N 1 0 243.307 -1.138 20 0 BAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1COC[C@@H]1C ZINC000911338990 639624484 /nfs/dbraw/zinc/62/44/84/639624484.db2.gz UAJQQVDEQHRXMX-XHNCKOQMSA-N 1 0 243.307 -1.138 20 0 BAADRO C[C@H]1COC[C@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000911348275 639623356 /nfs/dbraw/zinc/62/33/56/639623356.db2.gz KNLUVCCHKQKMDP-DJLDLDEBSA-N 1 0 241.291 -1.384 20 0 BAADRO C[C@H]1COC[C@@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000911348277 639624793 /nfs/dbraw/zinc/62/47/93/639624793.db2.gz KNLUVCCHKQKMDP-YIZRAAEISA-N 1 0 241.291 -1.384 20 0 BAADRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCOCC1 ZINC000911370010 639629022 /nfs/dbraw/zinc/62/90/22/639629022.db2.gz LFLOHYJXKLXFDV-RKDXNWHRSA-N 1 0 241.291 -1.431 20 0 BAADRO COCCN(C)C(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911375261 639630843 /nfs/dbraw/zinc/63/08/43/639630843.db2.gz UAUUDMNIBNJAMX-RKDXNWHRSA-N 1 0 243.307 -1.185 20 0 BAADRO C[C@@H]1COC[C@H]1NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911419685 639632636 /nfs/dbraw/zinc/63/26/36/639632636.db2.gz NSUMPPYDWCZULK-HTQZYQBOSA-N 1 0 241.291 -1.255 20 0 BAADRO C[C@H]1COC[C@H]1NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911419686 639632125 /nfs/dbraw/zinc/63/21/25/639632125.db2.gz NSUMPPYDWCZULK-JGVFFNPUSA-N 1 0 241.291 -1.255 20 0 BAADRO C[C@@H]1COC[C@@H]1NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911419687 639632685 /nfs/dbraw/zinc/63/26/85/639632685.db2.gz NSUMPPYDWCZULK-SFYZADRCSA-N 1 0 241.291 -1.255 20 0 BAADRO C[C@H]1COC[C@@H]1NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911419688 639632175 /nfs/dbraw/zinc/63/21/75/639632175.db2.gz NSUMPPYDWCZULK-YUMQZZPRSA-N 1 0 241.291 -1.255 20 0 BAADRO CCN(CC[NH3+])C(=O)C(=O)N[C@H]1COC[C@H]1C ZINC000911419823 639632799 /nfs/dbraw/zinc/63/27/99/639632799.db2.gz GFWMEMKSTFYTCJ-BDAKNGLRSA-N 1 0 243.307 -1.055 20 0 BAADRO CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1COC[C@@H]1C ZINC000911419824 639632765 /nfs/dbraw/zinc/63/27/65/639632765.db2.gz GFWMEMKSTFYTCJ-DTWKUNHWSA-N 1 0 243.307 -1.055 20 0 BAADRO CCN(CC[NH3+])C(=O)C(=O)N[C@H]1COC[C@@H]1C ZINC000911419825 639632057 /nfs/dbraw/zinc/63/20/57/639632057.db2.gz GFWMEMKSTFYTCJ-IUCAKERBSA-N 1 0 243.307 -1.055 20 0 BAADRO CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1COC[C@H]1C ZINC000911419826 639632500 /nfs/dbraw/zinc/63/25/00/639632500.db2.gz GFWMEMKSTFYTCJ-RKDXNWHRSA-N 1 0 243.307 -1.055 20 0 BAADRO C[C@@H]1COC[C@@H]1NC(=O)C(=O)N(C)CCC[NH3+] ZINC000911420425 639632825 /nfs/dbraw/zinc/63/28/25/639632825.db2.gz ISLVWECUGNPWKM-BDAKNGLRSA-N 1 0 243.307 -1.055 20 0 BAADRO C[C@H]1COC[C@H]1NC(=O)C(=O)N(C)CCC[NH3+] ZINC000911420426 639633227 /nfs/dbraw/zinc/63/32/27/639633227.db2.gz ISLVWECUGNPWKM-DTWKUNHWSA-N 1 0 243.307 -1.055 20 0 BAADRO C[C@H]1COC[C@@H]1NC(=O)C(=O)N(C)CCC[NH3+] ZINC000911420428 639632735 /nfs/dbraw/zinc/63/27/35/639632735.db2.gz ISLVWECUGNPWKM-IUCAKERBSA-N 1 0 243.307 -1.055 20 0 BAADRO C[C@@H]1COC[C@H]1NC(=O)C(=O)N(C)CCC[NH3+] ZINC000911420430 639632084 /nfs/dbraw/zinc/63/20/84/639632084.db2.gz ISLVWECUGNPWKM-RKDXNWHRSA-N 1 0 243.307 -1.055 20 0 BAADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1COC[C@H]1C ZINC000911420509 639632869 /nfs/dbraw/zinc/63/28/69/639632869.db2.gz JTNBFSSGAHPPHH-HLTSFMKQSA-N 1 0 243.307 -1.057 20 0 BAADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H]1COC[C@H]1C ZINC000911420511 639631876 /nfs/dbraw/zinc/63/18/76/639631876.db2.gz JTNBFSSGAHPPHH-HRDYMLBCSA-N 1 0 243.307 -1.057 20 0 BAADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H]1COC[C@H]1C ZINC000911420512 639632281 /nfs/dbraw/zinc/63/22/81/639632281.db2.gz JTNBFSSGAHPPHH-IWSPIJDZSA-N 1 0 243.307 -1.057 20 0 BAADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1COC[C@H]1C ZINC000911420514 639633129 /nfs/dbraw/zinc/63/31/29/639633129.db2.gz JTNBFSSGAHPPHH-VGMNWLOBSA-N 1 0 243.307 -1.057 20 0 BAADRO C[C@@H]1COC[C@H]1NC(=O)C(=O)N(C)CC[NH3+] ZINC000911420961 639638990 /nfs/dbraw/zinc/63/89/90/639638990.db2.gz KNLBDPLMRVFDOB-HTQZYQBOSA-N 1 0 229.280 -1.445 20 0 BAADRO C[C@H]1COC[C@H]1NC(=O)C(=O)N(C)CC[NH3+] ZINC000911420966 639639057 /nfs/dbraw/zinc/63/90/57/639639057.db2.gz KNLBDPLMRVFDOB-JGVFFNPUSA-N 1 0 229.280 -1.445 20 0 BAADRO C[C@@H]1COC[C@@H]1NC(=O)C(=O)N(C)CC[NH3+] ZINC000911420967 639639906 /nfs/dbraw/zinc/63/99/06/639639906.db2.gz KNLBDPLMRVFDOB-SFYZADRCSA-N 1 0 229.280 -1.445 20 0 BAADRO C[C@H]1COC[C@@H]1NC(=O)C(=O)N(C)CC[NH3+] ZINC000911420968 639638347 /nfs/dbraw/zinc/63/83/47/639638347.db2.gz KNLBDPLMRVFDOB-YUMQZZPRSA-N 1 0 229.280 -1.445 20 0 BAADRO C[C@H]1COC[C@@H]1NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000911421978 639648372 /nfs/dbraw/zinc/64/83/72/639648372.db2.gz PAMXUXVOEYJCTB-CIUDSAMLSA-N 1 0 241.291 -1.303 20 0 BAADRO C[C@H]1COC[C@H]1NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000911421979 639647536 /nfs/dbraw/zinc/64/75/36/639647536.db2.gz PAMXUXVOEYJCTB-DJLDLDEBSA-N 1 0 241.291 -1.303 20 0 BAADRO C[C@@H]1COC[C@@H]1NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000911421980 639646761 /nfs/dbraw/zinc/64/67/61/639646761.db2.gz PAMXUXVOEYJCTB-HLTSFMKQSA-N 1 0 241.291 -1.303 20 0 BAADRO C[C@@H]1COC[C@H]1NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000911421981 639648066 /nfs/dbraw/zinc/64/80/66/639648066.db2.gz PAMXUXVOEYJCTB-HRDYMLBCSA-N 1 0 241.291 -1.303 20 0 BAADRO C[C@@H]1COC[C@H]1NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000911421982 639648860 /nfs/dbraw/zinc/64/88/60/639648860.db2.gz PAMXUXVOEYJCTB-IWSPIJDZSA-N 1 0 241.291 -1.303 20 0 BAADRO C[C@@H]1COC[C@@H]1NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000911421983 639647335 /nfs/dbraw/zinc/64/73/35/639647335.db2.gz PAMXUXVOEYJCTB-VGMNWLOBSA-N 1 0 241.291 -1.303 20 0 BAADRO C[C@H]1COC[C@H]1NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000911421984 639647664 /nfs/dbraw/zinc/64/76/64/639647664.db2.gz PAMXUXVOEYJCTB-XHNCKOQMSA-N 1 0 241.291 -1.303 20 0 BAADRO C[C@H]1COC[C@@H]1NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000911421985 639648215 /nfs/dbraw/zinc/64/82/15/639648215.db2.gz PAMXUXVOEYJCTB-YIZRAAEISA-N 1 0 241.291 -1.303 20 0 BAADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1COC[C@@H]1C ZINC000911422915 639647927 /nfs/dbraw/zinc/64/79/27/639647927.db2.gz TXFKJKNRIPAADA-CIUDSAMLSA-N 1 0 243.307 -1.057 20 0 BAADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1COC[C@H]1C ZINC000911422916 639648583 /nfs/dbraw/zinc/64/85/83/639648583.db2.gz TXFKJKNRIPAADA-HRDYMLBCSA-N 1 0 243.307 -1.057 20 0 BAADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1COC[C@H]1C ZINC000911422917 639647409 /nfs/dbraw/zinc/64/74/09/639647409.db2.gz TXFKJKNRIPAADA-VGMNWLOBSA-N 1 0 243.307 -1.057 20 0 BAADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1COC[C@@H]1C ZINC000911422918 639647910 /nfs/dbraw/zinc/64/79/10/639647910.db2.gz TXFKJKNRIPAADA-XHNCKOQMSA-N 1 0 243.307 -1.057 20 0 BAADRO C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1COC[C@H]1C ZINC000911423716 639646841 /nfs/dbraw/zinc/64/68/41/639646841.db2.gz WGHXICXSLNRDHB-BDAKNGLRSA-N 1 0 243.307 -1.185 20 0 BAADRO C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1COC[C@@H]1C ZINC000911423718 639647619 /nfs/dbraw/zinc/64/76/19/639647619.db2.gz WGHXICXSLNRDHB-DTWKUNHWSA-N 1 0 243.307 -1.185 20 0 BAADRO C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1COC[C@@H]1C ZINC000911423720 639647499 /nfs/dbraw/zinc/64/74/99/639647499.db2.gz WGHXICXSLNRDHB-IUCAKERBSA-N 1 0 243.307 -1.185 20 0 BAADRO C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1COC[C@H]1C ZINC000911423722 639647887 /nfs/dbraw/zinc/64/78/87/639647887.db2.gz WGHXICXSLNRDHB-RKDXNWHRSA-N 1 0 243.307 -1.185 20 0 BAADRO CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CNOC1 ZINC000911462269 639653920 /nfs/dbraw/zinc/65/39/20/639653920.db2.gz WEHGKSYXYNNGMM-MRVPVSSYSA-N 1 0 244.295 -1.974 20 0 BAADRO [NH3+]C1(CNC(=O)C(=O)N2CCOCC2)CC1 ZINC000911506624 639658632 /nfs/dbraw/zinc/65/86/32/639658632.db2.gz QADMWWSCSPVJRY-UHFFFAOYSA-N 1 0 227.264 -1.547 20 0 BAADRO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@@H](O)C2)CC1 ZINC000911507096 639659490 /nfs/dbraw/zinc/65/94/90/639659490.db2.gz VUSCQGPLLGOUCH-MRVPVSSYSA-N 1 0 241.291 -1.423 20 0 BAADRO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@H](O)C2)CC1 ZINC000911507097 639658430 /nfs/dbraw/zinc/65/84/30/639658430.db2.gz VUSCQGPLLGOUCH-QMMMGPOBSA-N 1 0 241.291 -1.423 20 0 BAADRO COC(=O)CC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000911513025 639660725 /nfs/dbraw/zinc/66/07/25/639660725.db2.gz BSRIUZZWSRKXGA-SECBINFHSA-N 1 0 242.275 -1.173 20 0 BAADRO CN(CC[NH+](C)C)C(=O)C(=O)NCCCON ZINC000911514485 639660843 /nfs/dbraw/zinc/66/08/43/639660843.db2.gz USJYPTTZGQNOBK-UHFFFAOYSA-N 1 0 246.311 -1.597 20 0 BAADRO [NH3+]CCNC(=O)CNC(=O)N1CCCC1 ZINC000911622165 639682691 /nfs/dbraw/zinc/68/26/91/639682691.db2.gz CMVXQIWMDVKQLN-UHFFFAOYSA-N 1 0 214.269 -1.133 20 0 BAADRO CN1C[C@@H](C(=O)N2CCC[C@@H]([NH3+])C2)NCC1=O ZINC000911622443 639685411 /nfs/dbraw/zinc/68/54/11/639685411.db2.gz GPMDIVKKJDEIOD-BDAKNGLRSA-N 1 0 240.307 -1.634 20 0 BAADRO CN1C[C@H](C(=O)N2CCC[C@H]([NH3+])C2)NCC1=O ZINC000911622444 639685434 /nfs/dbraw/zinc/68/54/34/639685434.db2.gz GPMDIVKKJDEIOD-DTWKUNHWSA-N 1 0 240.307 -1.634 20 0 BAADRO CN1C[C@@H](C(=O)N2CCC[C@H]([NH3+])C2)NCC1=O ZINC000911622445 639684447 /nfs/dbraw/zinc/68/44/47/639684447.db2.gz GPMDIVKKJDEIOD-IUCAKERBSA-N 1 0 240.307 -1.634 20 0 BAADRO CN1C[C@H](C(=O)N2CCC[C@@H]([NH3+])C2)NCC1=O ZINC000911622446 639684824 /nfs/dbraw/zinc/68/48/24/639684824.db2.gz GPMDIVKKJDEIOD-RKDXNWHRSA-N 1 0 240.307 -1.634 20 0 BAADRO Cn1cc(C2=NO[C@@H](C(=O)NCC[NH3+])C2)cn1 ZINC000911629207 639689935 /nfs/dbraw/zinc/68/99/35/639689935.db2.gz GFEDTFHFOJRQPY-SECBINFHSA-N 1 0 237.263 -1.012 20 0 BAADRO Cn1cc(C2=NO[C@H](C(=O)NCC[NH3+])C2)cn1 ZINC000911629208 639689554 /nfs/dbraw/zinc/68/95/54/639689554.db2.gz GFEDTFHFOJRQPY-VIFPVBQESA-N 1 0 237.263 -1.012 20 0 BAADRO CN1C[C@H](C(=O)N2CC[NH2+]CC2)NCC1=O ZINC000911647157 639699573 /nfs/dbraw/zinc/69/95/73/639699573.db2.gz RUZHTBXHBRQLEH-MRVPVSSYSA-N 1 0 226.280 -2.152 20 0 BAADRO CN1C[C@@H](C(=O)N2CC[NH2+]CC2)NCC1=O ZINC000911647158 639699338 /nfs/dbraw/zinc/69/93/38/639699338.db2.gz RUZHTBXHBRQLEH-QMMMGPOBSA-N 1 0 226.280 -2.152 20 0 BAADRO [NH3+]CCCNC(=O)[C@@H]1CSCC(=O)N1 ZINC000911648268 639704372 /nfs/dbraw/zinc/70/43/72/639704372.db2.gz OLEFLGCBLBVJPH-LURJTMIESA-N 1 0 217.294 -1.317 20 0 BAADRO C[C@]1(C(=O)N2CC[NH2+]CC2)C[C@@H](O)C[NH2+]1 ZINC000911648518 639705619 /nfs/dbraw/zinc/70/56/19/639705619.db2.gz LECMDFZTURHQPU-PSASIEDQSA-N 1 0 213.281 -1.469 20 0 BAADRO C[C@@]1(C(=O)N2CC[NH2+]CC2)C[C@@H](O)C[NH2+]1 ZINC000911648520 639705524 /nfs/dbraw/zinc/70/55/24/639705524.db2.gz LECMDFZTURHQPU-SCZZXKLOSA-N 1 0 213.281 -1.469 20 0 BAADRO C[C@]1(C(=O)N2CC[NH2+]CC2)C[C@H](O)C[NH2+]1 ZINC000911648522 639703316 /nfs/dbraw/zinc/70/33/16/639703316.db2.gz LECMDFZTURHQPU-WCBMZHEXSA-N 1 0 213.281 -1.469 20 0 BAADRO C[C@@]1(C(=O)N2CC[NH2+]CC2)C[C@H](O)C[NH2+]1 ZINC000911648523 639704729 /nfs/dbraw/zinc/70/47/29/639704729.db2.gz LECMDFZTURHQPU-WPRPVWTQSA-N 1 0 213.281 -1.469 20 0 BAADRO O=C(C[C@]1(O)CCC[NH2+]C1)N1CC[NH2+]CC1 ZINC000911648525 639703584 /nfs/dbraw/zinc/70/35/84/639703584.db2.gz LEXKXGSNXIIDJU-LLVKDONJSA-N 1 0 227.308 -1.077 20 0 BAADRO O=C(C[C@@]1(O)CCC[NH2+]C1)N1CC[NH2+]CC1 ZINC000911648526 639704336 /nfs/dbraw/zinc/70/43/36/639704336.db2.gz LEXKXGSNXIIDJU-NSHDSACASA-N 1 0 227.308 -1.077 20 0 BAADRO CN1C[C@H](C(=O)NCCC[NH3+])NCC1=O ZINC000911648626 639703519 /nfs/dbraw/zinc/70/35/19/639703519.db2.gz QUCZDDQBXUARQN-SSDOTTSWSA-N 1 0 214.269 -2.118 20 0 BAADRO CN1C[C@@H](C(=O)NCCC[NH3+])NCC1=O ZINC000911648627 639704633 /nfs/dbraw/zinc/70/46/33/639704633.db2.gz QUCZDDQBXUARQN-ZETCQYMHSA-N 1 0 214.269 -2.118 20 0 BAADRO [NH3+][C@@H]1CCN(C(=O)[C@@H]2CSCC(=O)N2)C1 ZINC000911651699 639707544 /nfs/dbraw/zinc/70/75/44/639707544.db2.gz CUEXEDBTXZRYGO-RQJHMYQMSA-N 1 0 229.305 -1.222 20 0 BAADRO CN1C[C@H](C(=O)N2CC[C@@H]([NH3+])C2)NCC1=O ZINC000911652118 639707868 /nfs/dbraw/zinc/70/78/68/639707868.db2.gz JDFCERJOJYSBCH-HTQZYQBOSA-N 1 0 226.280 -2.024 20 0 BAADRO CN1C[C@@H](C(=O)N2CC[C@@H]([NH3+])C2)NCC1=O ZINC000911652119 639706031 /nfs/dbraw/zinc/70/60/31/639706031.db2.gz JDFCERJOJYSBCH-SFYZADRCSA-N 1 0 226.280 -2.024 20 0 BAADRO CN1C[C@H](C(=O)N2CCC[NH2+]CC2)NCC1=O ZINC000911655429 639712788 /nfs/dbraw/zinc/71/27/88/639712788.db2.gz FSZSYFPPQCVOEZ-SECBINFHSA-N 1 0 240.307 -1.762 20 0 BAADRO CN1C[C@@H](C(=O)N2CCC[NH2+]CC2)NCC1=O ZINC000911655430 639712681 /nfs/dbraw/zinc/71/26/81/639712681.db2.gz FSZSYFPPQCVOEZ-VIFPVBQESA-N 1 0 240.307 -1.762 20 0 BAADRO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)CN2)C1 ZINC000911655692 639713007 /nfs/dbraw/zinc/71/30/07/639713007.db2.gz INOKWYZGLJOJOA-BDAKNGLRSA-N 1 0 240.307 -1.763 20 0 BAADRO C[NH2+][C@H]1CCN(C(=O)[C@H]2CN(C)C(=O)CN2)C1 ZINC000911655694 639711641 /nfs/dbraw/zinc/71/16/41/639711641.db2.gz INOKWYZGLJOJOA-DTWKUNHWSA-N 1 0 240.307 -1.763 20 0 BAADRO C[NH2+][C@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)CN2)C1 ZINC000911655695 639712562 /nfs/dbraw/zinc/71/25/62/639712562.db2.gz INOKWYZGLJOJOA-IUCAKERBSA-N 1 0 240.307 -1.763 20 0 BAADRO C[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(C)C(=O)CN2)C1 ZINC000911655697 639712406 /nfs/dbraw/zinc/71/24/06/639712406.db2.gz INOKWYZGLJOJOA-RKDXNWHRSA-N 1 0 240.307 -1.763 20 0 BAADRO CN1C[C@@H](C(=O)N[C@@H]2CCC[NH2+]C2)NCC1=O ZINC000911673669 639734837 /nfs/dbraw/zinc/73/48/37/639734837.db2.gz OHNAZDQAFVARBO-BDAKNGLRSA-N 1 0 240.307 -1.715 20 0 BAADRO CN1C[C@H](C(=O)N[C@H]2CCC[NH2+]C2)NCC1=O ZINC000911673670 639734734 /nfs/dbraw/zinc/73/47/34/639734734.db2.gz OHNAZDQAFVARBO-DTWKUNHWSA-N 1 0 240.307 -1.715 20 0 BAADRO CN1C[C@@H](C(=O)N[C@H]2CCC[NH2+]C2)NCC1=O ZINC000911673671 639735739 /nfs/dbraw/zinc/73/57/39/639735739.db2.gz OHNAZDQAFVARBO-IUCAKERBSA-N 1 0 240.307 -1.715 20 0 BAADRO CN1C[C@H](C(=O)N[C@@H]2CCC[NH2+]C2)NCC1=O ZINC000911673673 639735331 /nfs/dbraw/zinc/73/53/31/639735331.db2.gz OHNAZDQAFVARBO-RKDXNWHRSA-N 1 0 240.307 -1.715 20 0 BAADRO C[NH2+]CCCNC(=O)[C@@H]1CSCC(=O)N1 ZINC000911676204 639717253 /nfs/dbraw/zinc/71/72/53/639717253.db2.gz KUDSFVUJMBEXQZ-ZETCQYMHSA-N 1 0 231.321 -1.056 20 0 BAADRO C[NH2+]CCCNC(=O)[C@H]1CN(C)C(=O)CN1 ZINC000911678200 639721043 /nfs/dbraw/zinc/72/10/43/639721043.db2.gz YSBJTQXKGXZZLJ-MRVPVSSYSA-N 1 0 228.296 -1.858 20 0 BAADRO C[NH2+]CCCNC(=O)[C@@H]1CN(C)C(=O)CN1 ZINC000911678213 639720879 /nfs/dbraw/zinc/72/08/79/639720879.db2.gz YSBJTQXKGXZZLJ-QMMMGPOBSA-N 1 0 228.296 -1.858 20 0 BAADRO CC[NH2+]CCCNC(=O)[C@H]1CN(C)C(=O)CN1 ZINC000911686971 639725573 /nfs/dbraw/zinc/72/55/73/639725573.db2.gz AIUSSCRPGWDVST-SECBINFHSA-N 1 0 242.323 -1.468 20 0 BAADRO CC[NH2+]CCCNC(=O)[C@@H]1CN(C)C(=O)CN1 ZINC000911686973 639725455 /nfs/dbraw/zinc/72/54/55/639725455.db2.gz AIUSSCRPGWDVST-VIFPVBQESA-N 1 0 242.323 -1.468 20 0 BAADRO CN1C[C@H](C(=O)N[C@@H]2CC[NH2+]C2)NCC1=O ZINC000911699316 639733527 /nfs/dbraw/zinc/73/35/27/639733527.db2.gz PSYCPDLNKQSZFF-HTQZYQBOSA-N 1 0 226.280 -2.105 20 0 BAADRO CN1C[C@H](C(=O)N[C@H]2CC[NH2+]C2)NCC1=O ZINC000911699317 639732216 /nfs/dbraw/zinc/73/22/16/639732216.db2.gz PSYCPDLNKQSZFF-JGVFFNPUSA-N 1 0 226.280 -2.105 20 0 BAADRO CN1C[C@@H](C(=O)N[C@@H]2CC[NH2+]C2)NCC1=O ZINC000911699318 639733753 /nfs/dbraw/zinc/73/37/53/639733753.db2.gz PSYCPDLNKQSZFF-SFYZADRCSA-N 1 0 226.280 -2.105 20 0 BAADRO CN1C[C@@H](C(=O)N[C@H]2CC[NH2+]C2)NCC1=O ZINC000911699319 639732999 /nfs/dbraw/zinc/73/29/99/639732999.db2.gz PSYCPDLNKQSZFF-YUMQZZPRSA-N 1 0 226.280 -2.105 20 0 BAADRO O=C(N[C@H]1CC[NH2+]C1)[C@@H]1CSCC(=O)N1 ZINC000911699801 639720048 /nfs/dbraw/zinc/72/00/48/639720048.db2.gz UXSUKUIESSGVFP-BQBZGAKWSA-N 1 0 229.305 -1.304 20 0 BAADRO O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1CSCC(=O)N1 ZINC000911699802 639719292 /nfs/dbraw/zinc/71/92/92/639719292.db2.gz UXSUKUIESSGVFP-RQJHMYQMSA-N 1 0 229.305 -1.304 20 0 BAADRO O=C(CNC(=O)c1ncc[nH]1)N1CC[NH2+]CC1 ZINC000911701507 639756411 /nfs/dbraw/zinc/75/64/11/639756411.db2.gz CZGXUBJSRAVCLY-UHFFFAOYSA-N 1 0 237.263 -1.429 20 0 BAADRO CCC[C@H](O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000911702529 639758313 /nfs/dbraw/zinc/75/83/13/639758313.db2.gz MNJGNLBEHDVODV-VIFPVBQESA-N 1 0 243.307 -1.305 20 0 BAADRO C[C@@H]1C[NH2+]CCN1C(=O)C[C@H]1CC(=O)NC1=O ZINC000911724680 639748909 /nfs/dbraw/zinc/74/89/09/639748909.db2.gz NLLDGUSHJJOAEE-HTQZYQBOSA-N 1 0 239.275 -1.141 20 0 BAADRO C[C@H]1C[NH2+]CCN1C(=O)C[C@H]1CC(=O)NC1=O ZINC000911724681 639746993 /nfs/dbraw/zinc/74/69/93/639746993.db2.gz NLLDGUSHJJOAEE-JGVFFNPUSA-N 1 0 239.275 -1.141 20 0 BAADRO C[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1CC(=O)NC1=O ZINC000911724682 639752110 /nfs/dbraw/zinc/75/21/10/639752110.db2.gz NLLDGUSHJJOAEE-SFYZADRCSA-N 1 0 239.275 -1.141 20 0 BAADRO C[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1CC(=O)NC1=O ZINC000911724683 639750892 /nfs/dbraw/zinc/75/08/92/639750892.db2.gz NLLDGUSHJJOAEE-YUMQZZPRSA-N 1 0 239.275 -1.141 20 0 BAADRO [NH3+][C@H]1CCN(C(=O)[C@@H]2CSCC(=O)N2)C1 ZINC000911729166 639756284 /nfs/dbraw/zinc/75/62/84/639756284.db2.gz CUEXEDBTXZRYGO-BQBZGAKWSA-N 1 0 229.305 -1.222 20 0 BAADRO CN1C[C@H](C(=O)N2CC[C@H]([NH3+])C2)NCC1=O ZINC000911729772 639758526 /nfs/dbraw/zinc/75/85/26/639758526.db2.gz JDFCERJOJYSBCH-JGVFFNPUSA-N 1 0 226.280 -2.024 20 0 BAADRO CN1C[C@@H](C(=O)N2CC[C@H]([NH3+])C2)NCC1=O ZINC000911729773 639760387 /nfs/dbraw/zinc/76/03/87/639760387.db2.gz JDFCERJOJYSBCH-YUMQZZPRSA-N 1 0 226.280 -2.024 20 0 BAADRO C[C@H]([NH3+])CCNC(=O)[C@H]1C[NH2+]CCN1C ZINC000911739720 639766644 /nfs/dbraw/zinc/76/66/44/639766644.db2.gz CHKRVCMIWQDVBD-DTWKUNHWSA-N 1 0 214.313 -1.257 20 0 BAADRO C[C@H]([NH3+])CCNC(=O)[C@@H]1C[NH2+]CCN1C ZINC000911739721 639767523 /nfs/dbraw/zinc/76/75/23/639767523.db2.gz CHKRVCMIWQDVBD-IUCAKERBSA-N 1 0 214.313 -1.257 20 0 BAADRO C[C@H]([NH3+])CCNC(=O)[C@H]1CN(C)C(=O)CN1 ZINC000911741967 639769063 /nfs/dbraw/zinc/76/90/63/639769063.db2.gz XFJNYJFGFPCUTG-JGVFFNPUSA-N 1 0 228.296 -1.730 20 0 BAADRO C[C@H]([NH3+])CCNC(=O)[C@@H]1CN(C)C(=O)CN1 ZINC000911741969 639769772 /nfs/dbraw/zinc/76/97/72/639769772.db2.gz XFJNYJFGFPCUTG-YUMQZZPRSA-N 1 0 228.296 -1.730 20 0 BAADRO C[NH2+]CCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC000911747381 639772803 /nfs/dbraw/zinc/77/28/03/639772803.db2.gz FWFFHNNVHFLAOR-SSDOTTSWSA-N 1 0 239.279 -1.118 20 0 BAADRO C[NH2+]CCNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC000911747383 639773710 /nfs/dbraw/zinc/77/37/10/639773710.db2.gz FWFFHNNVHFLAOR-ZETCQYMHSA-N 1 0 239.279 -1.118 20 0 BAADRO C[NH2+]CCNC(=O)[C@@H]1CSCC(=O)N1 ZINC000911747431 639773163 /nfs/dbraw/zinc/77/31/63/639773163.db2.gz GJXQGQRAGGPDII-LURJTMIESA-N 1 0 217.294 -1.446 20 0 BAADRO C[NH2+]CCNC(=O)[C@H]1CN(C)C(=O)CN1 ZINC000911747454 639773730 /nfs/dbraw/zinc/77/37/30/639773730.db2.gz GVSVZALLKVPTSX-SSDOTTSWSA-N 1 0 214.269 -2.248 20 0 BAADRO C[NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)CN1 ZINC000911747460 639772882 /nfs/dbraw/zinc/77/28/82/639772882.db2.gz GVSVZALLKVPTSX-ZETCQYMHSA-N 1 0 214.269 -2.248 20 0 BAADRO C[NH2+]CCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC000911747500 639772532 /nfs/dbraw/zinc/77/25/32/639772532.db2.gz HMRDGUVGSORIDB-SECBINFHSA-N 1 0 249.336 -1.206 20 0 BAADRO C[NH2+]CCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC000911747508 639773844 /nfs/dbraw/zinc/77/38/44/639773844.db2.gz HMRDGUVGSORIDB-VIFPVBQESA-N 1 0 249.336 -1.206 20 0 BAADRO CC[NH2+]CCNC(=O)[C@H]1CN(C)C(=O)CN1 ZINC000911750386 639775119 /nfs/dbraw/zinc/77/51/19/639775119.db2.gz IPXNUOCIJGXTLV-MRVPVSSYSA-N 1 0 228.296 -1.858 20 0 BAADRO CC[NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)CN1 ZINC000911750388 639774535 /nfs/dbraw/zinc/77/45/35/639774535.db2.gz IPXNUOCIJGXTLV-QMMMGPOBSA-N 1 0 228.296 -1.858 20 0 BAADRO CC[NH2+]CCNC(=O)[C@@H]1CSCC(=O)N1 ZINC000911751035 639777625 /nfs/dbraw/zinc/77/76/25/639777625.db2.gz TUMRYRAMNXOJGB-ZETCQYMHSA-N 1 0 231.321 -1.056 20 0 BAADRO CC[NH2+]CCNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC000911751312 639777064 /nfs/dbraw/zinc/77/70/64/639777064.db2.gz WEMGEVIGULUTSY-JTQLQIEISA-N 1 0 243.307 -1.041 20 0 BAADRO CC[NH2+]CCNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC000911751313 639778108 /nfs/dbraw/zinc/77/81/08/639778108.db2.gz WEMGEVIGULUTSY-SNVBAGLBSA-N 1 0 243.307 -1.041 20 0 BAADRO CN1C[C@@H](C(=O)NC[C@H]2CCC[NH2+]2)NCC1=O ZINC000911752003 639778830 /nfs/dbraw/zinc/77/88/30/639778830.db2.gz RRBSLBFJIISDER-BDAKNGLRSA-N 1 0 240.307 -1.715 20 0 BAADRO CN1C[C@H](C(=O)NC[C@@H]2CCC[NH2+]2)NCC1=O ZINC000911752004 639778787 /nfs/dbraw/zinc/77/87/87/639778787.db2.gz RRBSLBFJIISDER-DTWKUNHWSA-N 1 0 240.307 -1.715 20 0 BAADRO CN1C[C@@H](C(=O)NC[C@@H]2CCC[NH2+]2)NCC1=O ZINC000911752005 639779727 /nfs/dbraw/zinc/77/97/27/639779727.db2.gz RRBSLBFJIISDER-IUCAKERBSA-N 1 0 240.307 -1.715 20 0 BAADRO CN1C[C@H](C(=O)NC[C@H]2CCC[NH2+]2)NCC1=O ZINC000911752006 639780145 /nfs/dbraw/zinc/78/01/45/639780145.db2.gz RRBSLBFJIISDER-RKDXNWHRSA-N 1 0 240.307 -1.715 20 0 BAADRO CN1C[C@H](C(=O)NCC[NH2+]C2CC2)NCC1=O ZINC000911754736 639784173 /nfs/dbraw/zinc/78/41/73/639784173.db2.gz NIPRHZKUUSKXLD-SECBINFHSA-N 1 0 240.307 -1.715 20 0 BAADRO CN1C[C@@H](C(=O)NCC[NH2+]C2CC2)NCC1=O ZINC000911754738 639783070 /nfs/dbraw/zinc/78/30/70/639783070.db2.gz NIPRHZKUUSKXLD-VIFPVBQESA-N 1 0 240.307 -1.715 20 0 BAADRO CN(C(=O)[C@@H]1CN(C)C(=O)CN1)[C@@H]1CC[NH2+]C1 ZINC000911787085 639805864 /nfs/dbraw/zinc/80/58/64/639805864.db2.gz HHENGQNSEJSFGQ-BDAKNGLRSA-N 1 0 240.307 -1.763 20 0 BAADRO CN(C(=O)[C@H]1CN(C)C(=O)CN1)[C@H]1CC[NH2+]C1 ZINC000911787087 639805335 /nfs/dbraw/zinc/80/53/35/639805335.db2.gz HHENGQNSEJSFGQ-DTWKUNHWSA-N 1 0 240.307 -1.763 20 0 BAADRO CN(C(=O)[C@@H]1CN(C)C(=O)CN1)[C@H]1CC[NH2+]C1 ZINC000911787089 639805159 /nfs/dbraw/zinc/80/51/59/639805159.db2.gz HHENGQNSEJSFGQ-IUCAKERBSA-N 1 0 240.307 -1.763 20 0 BAADRO CN(C(=O)[C@H]1CN(C)C(=O)CN1)[C@@H]1CC[NH2+]C1 ZINC000911787090 639805233 /nfs/dbraw/zinc/80/52/33/639805233.db2.gz HHENGQNSEJSFGQ-RKDXNWHRSA-N 1 0 240.307 -1.763 20 0 BAADRO C[C@@H]1CN(C(=O)C2(S(N)(=O)=O)CC2)CC[NH2+]1 ZINC000911801838 639823827 /nfs/dbraw/zinc/82/38/27/639823827.db2.gz FZOVTKBZGDUMLB-SSDOTTSWSA-N 1 0 247.320 -1.372 20 0 BAADRO C[C@H]1CN(C(=O)C2(S(N)(=O)=O)CC2)CC[NH2+]1 ZINC000911801842 639823813 /nfs/dbraw/zinc/82/38/13/639823813.db2.gz FZOVTKBZGDUMLB-ZETCQYMHSA-N 1 0 247.320 -1.372 20 0 BAADRO C[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)CN2)CC[NH2+]1 ZINC000911808055 639829892 /nfs/dbraw/zinc/82/98/92/639829892.db2.gz ACAIBWJOMYCVAT-BDAKNGLRSA-N 1 0 240.307 -1.763 20 0 BAADRO C[C@H]1CN(C(=O)[C@H]2CN(C)C(=O)CN2)CC[NH2+]1 ZINC000911808056 639829619 /nfs/dbraw/zinc/82/96/19/639829619.db2.gz ACAIBWJOMYCVAT-DTWKUNHWSA-N 1 0 240.307 -1.763 20 0 BAADRO C[C@H]1CN(C(=O)[C@@H]2CN(C)C(=O)CN2)CC[NH2+]1 ZINC000911808057 639828608 /nfs/dbraw/zinc/82/86/08/639828608.db2.gz ACAIBWJOMYCVAT-IUCAKERBSA-N 1 0 240.307 -1.763 20 0 BAADRO C[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)CN2)CC[NH2+]1 ZINC000911808058 639829699 /nfs/dbraw/zinc/82/96/99/639829699.db2.gz ACAIBWJOMYCVAT-RKDXNWHRSA-N 1 0 240.307 -1.763 20 0 BAADRO C[C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)CC[NH2+]1 ZINC000911813563 639802381 /nfs/dbraw/zinc/80/23/81/639802381.db2.gz YNNZPANYVORULK-HTQZYQBOSA-N 1 0 239.275 -1.141 20 0 BAADRO C[C@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)CC[NH2+]1 ZINC000911813564 639802563 /nfs/dbraw/zinc/80/25/63/639802563.db2.gz YNNZPANYVORULK-JGVFFNPUSA-N 1 0 239.275 -1.141 20 0 BAADRO C[C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)CC[NH2+]1 ZINC000911813565 639801587 /nfs/dbraw/zinc/80/15/87/639801587.db2.gz YNNZPANYVORULK-SFYZADRCSA-N 1 0 239.275 -1.141 20 0 BAADRO C[C@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)CC[NH2+]1 ZINC000911813566 639801164 /nfs/dbraw/zinc/80/11/64/639801164.db2.gz YNNZPANYVORULK-YUMQZZPRSA-N 1 0 239.275 -1.141 20 0 BAADRO CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CN(C)C(=O)CN1 ZINC000911823895 639838097 /nfs/dbraw/zinc/83/80/97/639838097.db2.gz AWULWDPGBYTPFE-BDAKNGLRSA-N 1 0 242.323 -1.484 20 0 BAADRO CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1CN(C)C(=O)CN1 ZINC000911823896 639837766 /nfs/dbraw/zinc/83/77/66/639837766.db2.gz AWULWDPGBYTPFE-DTWKUNHWSA-N 1 0 242.323 -1.484 20 0 BAADRO CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CN(C)C(=O)CN1 ZINC000911823897 639837423 /nfs/dbraw/zinc/83/74/23/639837423.db2.gz AWULWDPGBYTPFE-IUCAKERBSA-N 1 0 242.323 -1.484 20 0 BAADRO CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CN(C)C(=O)CN1 ZINC000911823898 639838389 /nfs/dbraw/zinc/83/83/89/639838389.db2.gz AWULWDPGBYTPFE-RKDXNWHRSA-N 1 0 242.323 -1.484 20 0 BAADRO CN1C[C@H](C(=O)NCC(C)(C)[NH3+])NCC1=O ZINC000911846610 639856015 /nfs/dbraw/zinc/85/60/15/639856015.db2.gz OYTOOXSXKICUCW-SSDOTTSWSA-N 1 0 228.296 -1.730 20 0 BAADRO CN1C[C@@H](C(=O)NCC(C)(C)[NH3+])NCC1=O ZINC000911846612 639856934 /nfs/dbraw/zinc/85/69/34/639856934.db2.gz OYTOOXSXKICUCW-ZETCQYMHSA-N 1 0 228.296 -1.730 20 0 BAADRO CN1CCN(C(=O)CON)[C@H](C[NH3+])C1 ZINC000911874943 639863767 /nfs/dbraw/zinc/86/37/67/639863767.db2.gz FWWJKDMAFUTVAM-SSDOTTSWSA-N 1 0 202.258 -2.022 20 0 BAADRO CN1CCN(C(=O)CON)[C@@H](C[NH3+])C1 ZINC000911874944 639864111 /nfs/dbraw/zinc/86/41/11/639864111.db2.gz FWWJKDMAFUTVAM-ZETCQYMHSA-N 1 0 202.258 -2.022 20 0 BAADRO COCCNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC000911891484 639869882 /nfs/dbraw/zinc/86/98/82/639869882.db2.gz GRYHIIPNIPPVMY-SECBINFHSA-N 1 0 243.307 -1.054 20 0 BAADRO COCCNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC000911891485 639870772 /nfs/dbraw/zinc/87/07/72/639870772.db2.gz GRYHIIPNIPPVMY-VIFPVBQESA-N 1 0 243.307 -1.054 20 0 BAADRO COCCNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC000911891868 639869620 /nfs/dbraw/zinc/86/96/20/639869620.db2.gz OPVZINJDXJSMCI-APPZFPTMSA-N 1 0 202.254 -1.138 20 0 BAADRO COCCNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC000911891870 639870184 /nfs/dbraw/zinc/87/01/84/639870184.db2.gz OPVZINJDXJSMCI-CBAPKCEASA-N 1 0 202.254 -1.138 20 0 BAADRO COCCNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC000911891872 639870085 /nfs/dbraw/zinc/87/00/85/639870085.db2.gz OPVZINJDXJSMCI-IONNQARKSA-N 1 0 202.254 -1.138 20 0 BAADRO COCCNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC000911891873 639870472 /nfs/dbraw/zinc/87/04/72/639870472.db2.gz OPVZINJDXJSMCI-VXNVDRBHSA-N 1 0 202.254 -1.138 20 0 BAADRO C[C@@H]1CN(C(=O)[C@H]([NH3+])CO)C[C@H](C)O1 ZINC000911899642 639861142 /nfs/dbraw/zinc/86/11/42/639861142.db2.gz KUNDCRCYIIIVEK-GJMOJQLCSA-N 1 0 202.254 -1.058 20 0 BAADRO C[C@]1(C(=O)N2CCOCC2)C[C@@H](O)C[NH2+]1 ZINC000911911130 639889236 /nfs/dbraw/zinc/88/92/36/639889236.db2.gz ORJMHKLWSQSMMC-PSASIEDQSA-N 1 0 214.265 -1.042 20 0 BAADRO C[C@@]1(C(=O)N2CCOCC2)C[C@@H](O)C[NH2+]1 ZINC000911911131 639890017 /nfs/dbraw/zinc/89/00/17/639890017.db2.gz ORJMHKLWSQSMMC-SCZZXKLOSA-N 1 0 214.265 -1.042 20 0 BAADRO C[C@]1(C(=O)N2CCOCC2)C[C@H](O)C[NH2+]1 ZINC000911911132 639889677 /nfs/dbraw/zinc/88/96/77/639889677.db2.gz ORJMHKLWSQSMMC-WCBMZHEXSA-N 1 0 214.265 -1.042 20 0 BAADRO C[C@@]1(C(=O)N2CCOCC2)C[C@H](O)C[NH2+]1 ZINC000911911133 639888920 /nfs/dbraw/zinc/88/89/20/639888920.db2.gz ORJMHKLWSQSMMC-WPRPVWTQSA-N 1 0 214.265 -1.042 20 0 BAADRO COCCN(CCOC)C(=O)[C@H]([NH3+])CO ZINC000911928150 639884286 /nfs/dbraw/zinc/88/42/86/639884286.db2.gz XGXHCQRRYVJRCN-MRVPVSSYSA-N 1 0 220.269 -1.573 20 0 BAADRO C[NH+]1CCC(N(CCO)C(=O)CO)CC1 ZINC000911941151 639899712 /nfs/dbraw/zinc/89/97/12/639899712.db2.gz FYBKWWICVZBXEH-UHFFFAOYSA-N 1 0 216.281 -1.106 20 0 BAADRO COC(=O)[C@H](NC(=O)CNCC[NH3+])C(C)C ZINC000911992587 639917789 /nfs/dbraw/zinc/91/77/89/639917789.db2.gz MKIBRIDNRDPDQO-SECBINFHSA-N 1 0 231.296 -1.152 20 0 BAADRO COC(=O)[C@@H](NC(=O)CNCC[NH3+])C(C)C ZINC000911992588 639918192 /nfs/dbraw/zinc/91/81/92/639918192.db2.gz MKIBRIDNRDPDQO-VIFPVBQESA-N 1 0 231.296 -1.152 20 0 BAADRO O=C(C[C@]1(O)CCC[NH2+]C1)N1CCNC(=O)C1 ZINC000912002488 639920222 /nfs/dbraw/zinc/92/02/22/639920222.db2.gz SKKJRPYMUQNMGV-LLVKDONJSA-N 1 0 241.291 -1.551 20 0 BAADRO O=C(C[C@@]1(O)CCC[NH2+]C1)N1CCNC(=O)C1 ZINC000912002489 639920967 /nfs/dbraw/zinc/92/09/67/639920967.db2.gz SKKJRPYMUQNMGV-NSHDSACASA-N 1 0 241.291 -1.551 20 0 BAADRO C[C@]1(C(=O)N2CCNC(=O)C2)C[C@@H](O)C[NH2+]1 ZINC000912002552 639920924 /nfs/dbraw/zinc/92/09/24/639920924.db2.gz WFCDPUIBLWQABK-GMSGAONNSA-N 1 0 227.264 -1.942 20 0 BAADRO C[C@]1(C(=O)N2CCNC(=O)C2)C[C@H](O)C[NH2+]1 ZINC000912002553 639920192 /nfs/dbraw/zinc/92/01/92/639920192.db2.gz WFCDPUIBLWQABK-OIBJUYFYSA-N 1 0 227.264 -1.942 20 0 BAADRO C[C@@]1(C(=O)N2CCNC(=O)C2)C[C@@H](O)C[NH2+]1 ZINC000912002554 639920091 /nfs/dbraw/zinc/92/00/91/639920091.db2.gz WFCDPUIBLWQABK-XCBNKYQSSA-N 1 0 227.264 -1.942 20 0 BAADRO C[C@@]1(C(=O)N2CCNC(=O)C2)C[C@H](O)C[NH2+]1 ZINC000912002555 639921046 /nfs/dbraw/zinc/92/10/46/639921046.db2.gz WFCDPUIBLWQABK-XVKPBYJWSA-N 1 0 227.264 -1.942 20 0 BAADRO [NH3+][C@@H]1C[C@H](C(=O)N2CCNC(=O)C2)[C@H]2C[C@H]21 ZINC000912002590 639921093 /nfs/dbraw/zinc/92/10/93/639921093.db2.gz XWMOTFBPFDBORM-UYXSQOIJSA-N 1 0 223.276 -1.072 20 0 BAADRO O=C(N1CCNC(=O)C1)[C@]12CC[C@H]1C[NH2+]C2 ZINC000912002617 639920585 /nfs/dbraw/zinc/92/05/85/639920585.db2.gz ZPXUXSCMCKGYQC-KWQFWETISA-N 1 0 223.276 -1.056 20 0 BAADRO COC(=O)CC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000912054352 639939018 /nfs/dbraw/zinc/93/90/18/639939018.db2.gz KMOOMGIRESNUTI-DTWKUNHWSA-N 1 0 242.275 -1.173 20 0 BAADRO CCN(CC)C(=O)CN(C)C(=O)[C@H]([NH3+])CO ZINC000912055632 639928102 /nfs/dbraw/zinc/92/81/02/639928102.db2.gz BHOCZBHSOUIIBP-MRVPVSSYSA-N 1 0 231.296 -1.367 20 0 BAADRO CCN(CC)C(=O)CN(C)C(=O)CNCC[NH3+] ZINC000912057150 639928324 /nfs/dbraw/zinc/92/83/24/639928324.db2.gz ZIZVXVBRKNPNEH-UHFFFAOYSA-N 1 0 244.339 -1.139 20 0 BAADRO CN(C)C(=O)CN(C)C(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC000912065020 639932024 /nfs/dbraw/zinc/93/20/24/639932024.db2.gz LYLPUKFHRPVOSA-GZMMTYOYSA-N 1 0 243.307 -1.354 20 0 BAADRO CN(C)C(=O)CN(C)C(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC000912065025 639931433 /nfs/dbraw/zinc/93/14/33/639931433.db2.gz LYLPUKFHRPVOSA-KCJUWKMLSA-N 1 0 243.307 -1.354 20 0 BAADRO CN(C)C(=O)CN(C)C(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC000912065027 639931516 /nfs/dbraw/zinc/93/15/16/639931516.db2.gz LYLPUKFHRPVOSA-KWQFWETISA-N 1 0 243.307 -1.354 20 0 BAADRO CN(C)C(=O)CN(C)C(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC000912065030 639932403 /nfs/dbraw/zinc/93/24/03/639932403.db2.gz LYLPUKFHRPVOSA-LDYMZIIASA-N 1 0 243.307 -1.354 20 0 BAADRO CNC(=O)CNC(=O)[C@]12CC[C@H]1C[NH2+]C2 ZINC000912074417 639947771 /nfs/dbraw/zinc/94/77/71/639947771.db2.gz AKIJGKJBVUIMHC-XVKPBYJWSA-N 1 0 211.265 -1.152 20 0 BAADRO CNC(=O)CNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000912075623 639947496 /nfs/dbraw/zinc/94/74/96/639947496.db2.gz MCCNNNIFLKIRFL-KCJUWKMLSA-N 1 0 241.291 -1.525 20 0 BAADRO CNC(=O)CNC(=O)[C@]12C[C@H]1CCC[NH2+]2 ZINC000912076085 639948347 /nfs/dbraw/zinc/94/83/47/639948347.db2.gz RLEWRKLUDPANOS-XCBNKYQSSA-N 1 0 211.265 -1.009 20 0 BAADRO CCCNC(=O)CNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC000912077582 639946538 /nfs/dbraw/zinc/94/65/38/639946538.db2.gz GVIIWRMXFMMJJW-GZMMTYOYSA-N 1 0 243.307 -1.258 20 0 BAADRO CCCNC(=O)CNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC000912077583 639947931 /nfs/dbraw/zinc/94/79/31/639947931.db2.gz GVIIWRMXFMMJJW-KCJUWKMLSA-N 1 0 243.307 -1.258 20 0 BAADRO CCCNC(=O)CNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC000912077584 639947513 /nfs/dbraw/zinc/94/75/13/639947513.db2.gz GVIIWRMXFMMJJW-KWQFWETISA-N 1 0 243.307 -1.258 20 0 BAADRO CCCNC(=O)CNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC000912077585 639946959 /nfs/dbraw/zinc/94/69/59/639946959.db2.gz GVIIWRMXFMMJJW-LDYMZIIASA-N 1 0 243.307 -1.258 20 0 BAADRO CN(CC(=O)NC(C)(C)C)C(=O)[C@H]([NH3+])CO ZINC000912101190 639949464 /nfs/dbraw/zinc/94/94/64/639949464.db2.gz DHECIMAYBOXNLV-SSDOTTSWSA-N 1 0 231.296 -1.321 20 0 BAADRO CN(CC(=O)NC(C)(C)C)C(=O)CNCC[NH3+] ZINC000912104078 639950020 /nfs/dbraw/zinc/95/00/20/639950020.db2.gz YODFNPDSPCGMBV-UHFFFAOYSA-N 1 0 244.339 -1.092 20 0 BAADRO CC(C)OC(=O)CCNC(=O)CNCC[NH3+] ZINC000912137040 639960624 /nfs/dbraw/zinc/96/06/24/639960624.db2.gz RAGYGRKTEGRXGI-UHFFFAOYSA-N 1 0 231.296 -1.007 20 0 BAADRO CC[C@@H]1CN(C(=O)[C@H]([NH3+])CO)CCO1 ZINC000912222350 640000700 /nfs/dbraw/zinc/00/07/00/640000700.db2.gz WXWWJINZWVMZKA-HTQZYQBOSA-N 1 0 202.254 -1.057 20 0 BAADRO CC[C@H]1CN(C(=O)[C@H]([NH3+])CO)CCO1 ZINC000912222358 640001068 /nfs/dbraw/zinc/00/10/68/640001068.db2.gz WXWWJINZWVMZKA-JGVFFNPUSA-N 1 0 202.254 -1.057 20 0 BAADRO C[NH+](C)CC(=O)N1[C@@H](CO)CC[C@@H]1CO ZINC000912233898 640004662 /nfs/dbraw/zinc/00/46/62/640004662.db2.gz QDZANFYMPQXFII-RKDXNWHRSA-N 1 0 216.281 -1.108 20 0 BAADRO CCOC(=O)CNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC000912247385 640011766 /nfs/dbraw/zinc/01/17/66/640011766.db2.gz FCNYBXTYNGFSPS-GMSGAONNSA-N 1 0 230.264 -1.221 20 0 BAADRO CCOC(=O)CNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC000912247386 640012138 /nfs/dbraw/zinc/01/21/38/640012138.db2.gz FCNYBXTYNGFSPS-OIBJUYFYSA-N 1 0 230.264 -1.221 20 0 BAADRO CCOC(=O)CNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC000912247387 640010973 /nfs/dbraw/zinc/01/09/73/640010973.db2.gz FCNYBXTYNGFSPS-XCBNKYQSSA-N 1 0 230.264 -1.221 20 0 BAADRO CCOC(=O)CNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC000912247388 640011561 /nfs/dbraw/zinc/01/15/61/640011561.db2.gz FCNYBXTYNGFSPS-XVKPBYJWSA-N 1 0 230.264 -1.221 20 0 BAADRO NC(=O)CCNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000912257831 640005202 /nfs/dbraw/zinc/00/52/02/640005202.db2.gz NRBDMIGGFCMKBA-KCJUWKMLSA-N 1 0 241.291 -1.396 20 0 BAADRO NC(=O)CCNC(=O)[C@]12CC[C@H]1C[NH2+]C2 ZINC000912259811 640007266 /nfs/dbraw/zinc/00/72/66/640007266.db2.gz WISZMDQYWBTWAV-XVKPBYJWSA-N 1 0 211.265 -1.022 20 0 BAADRO CCN(CC(=O)NC)C(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC000912377657 640033989 /nfs/dbraw/zinc/03/39/89/640033989.db2.gz CCZYQASBIVSHLS-GZMMTYOYSA-N 1 0 243.307 -1.306 20 0 BAADRO CCN(CC(=O)NC)C(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC000912377660 640034187 /nfs/dbraw/zinc/03/41/87/640034187.db2.gz CCZYQASBIVSHLS-KCJUWKMLSA-N 1 0 243.307 -1.306 20 0 BAADRO CCN(CC(=O)NC)C(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC000912377661 640033400 /nfs/dbraw/zinc/03/34/00/640033400.db2.gz CCZYQASBIVSHLS-KWQFWETISA-N 1 0 243.307 -1.306 20 0 BAADRO CCN(CC(=O)NC)C(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC000912377663 640034563 /nfs/dbraw/zinc/03/45/63/640034563.db2.gz CCZYQASBIVSHLS-LDYMZIIASA-N 1 0 243.307 -1.306 20 0 BAADRO C[C@H](CCNC(=O)CCNC(=O)CO)[NH+](C)C ZINC000912386798 640039905 /nfs/dbraw/zinc/03/99/05/640039905.db2.gz JHFIULPBZMGPSG-SECBINFHSA-N 1 0 245.323 -1.059 20 0 BAADRO C[C@@H](CCNC(=O)CCNC(=O)CO)[NH+](C)C ZINC000912386805 640039523 /nfs/dbraw/zinc/03/95/23/640039523.db2.gz JHFIULPBZMGPSG-VIFPVBQESA-N 1 0 245.323 -1.059 20 0 BAADRO CCOC(=O)CCCNC(=O)CNCC[NH3+] ZINC000912448409 640078596 /nfs/dbraw/zinc/07/85/96/640078596.db2.gz PRFHZWULZZOPHP-UHFFFAOYSA-N 1 0 231.296 -1.006 20 0 BAADRO COC(=O)CCNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC000912451388 640080832 /nfs/dbraw/zinc/08/08/32/640080832.db2.gz PSLLUUWQUIZZDB-GMSGAONNSA-N 1 0 230.264 -1.221 20 0 BAADRO COC(=O)CCNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC000912451390 640079649 /nfs/dbraw/zinc/07/96/49/640079649.db2.gz PSLLUUWQUIZZDB-OIBJUYFYSA-N 1 0 230.264 -1.221 20 0 BAADRO COC(=O)CCNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC000912451391 640080930 /nfs/dbraw/zinc/08/09/30/640080930.db2.gz PSLLUUWQUIZZDB-XCBNKYQSSA-N 1 0 230.264 -1.221 20 0 BAADRO COC(=O)CCNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC000912451392 640081266 /nfs/dbraw/zinc/08/12/66/640081266.db2.gz PSLLUUWQUIZZDB-XVKPBYJWSA-N 1 0 230.264 -1.221 20 0 BAADRO COC(=O)[C@H](C)NC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC000912452775 640082194 /nfs/dbraw/zinc/08/21/94/640082194.db2.gz TUIUVTLFODMVNP-BYULHYEWSA-N 1 0 230.264 -1.223 20 0 BAADRO COC(=O)[C@H](C)NC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC000912452776 640082593 /nfs/dbraw/zinc/08/25/93/640082593.db2.gz TUIUVTLFODMVNP-MHYGZLNHSA-N 1 0 230.264 -1.223 20 0 BAADRO COC(=O)[C@H](C)NC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC000912452777 640083135 /nfs/dbraw/zinc/08/31/35/640083135.db2.gz TUIUVTLFODMVNP-NYNCVSEMSA-N 1 0 230.264 -1.223 20 0 BAADRO COC(=O)[C@H](C)NC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC000912452778 640081702 /nfs/dbraw/zinc/08/17/02/640081702.db2.gz TUIUVTLFODMVNP-PJKMHFRUSA-N 1 0 230.264 -1.223 20 0 BAADRO CN(CC1C[NH+](C)C1)C(=O)CCNC(=O)CO ZINC000912453161 640082693 /nfs/dbraw/zinc/08/26/93/640082693.db2.gz BVJDLVHPTYNCPR-UHFFFAOYSA-N 1 0 243.307 -1.495 20 0 BAADRO COC(=O)CNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000912453222 640082287 /nfs/dbraw/zinc/08/22/87/640082287.db2.gz ZWTSQMDFMMCJSP-KCJUWKMLSA-N 1 0 242.275 -1.098 20 0 BAADRO C[C@H]1CN(C(=O)[C@H]([NH3+])CO)[C@@H](C)CO1 ZINC000912487787 640084802 /nfs/dbraw/zinc/08/48/02/640084802.db2.gz NDJJXHDQCWMUEH-BIIVOSGPSA-N 1 0 202.254 -1.058 20 0 BAADRO C[C@@H]1CN(C(=O)[C@H]([NH3+])CO)[C@H](C)CO1 ZINC000912487788 640085166 /nfs/dbraw/zinc/08/51/66/640085166.db2.gz NDJJXHDQCWMUEH-BWZBUEFSSA-N 1 0 202.254 -1.058 20 0 BAADRO C[C@@H]1CO[C@@H](C)CN1C(=O)[C@H]([NH3+])CO ZINC000912487789 640083736 /nfs/dbraw/zinc/08/37/36/640083736.db2.gz NDJJXHDQCWMUEH-GJMOJQLCSA-N 1 0 202.254 -1.058 20 0 BAADRO C[C@@H]1CN(C(=O)[C@H]([NH3+])CO)[C@@H](C)CO1 ZINC000912488066 640085134 /nfs/dbraw/zinc/08/51/34/640085134.db2.gz NDJJXHDQCWMUEH-XLPZGREQSA-N 1 0 202.254 -1.058 20 0 BAADRO CN(CC[N@H+](C)CCO)C(=O)[C@@H](O)C(C)(C)O ZINC000912598443 640122137 /nfs/dbraw/zinc/12/21/37/640122137.db2.gz FQZGAXFRTATPGK-SECBINFHSA-N 1 0 248.323 -1.499 20 0 BAADRO CN(CC[N@H+](C)CCO)C(=O)[C@H](O)C(C)(C)O ZINC000912598446 640121397 /nfs/dbraw/zinc/12/13/97/640121397.db2.gz FQZGAXFRTATPGK-VIFPVBQESA-N 1 0 248.323 -1.499 20 0 BAADRO CN(CC[N@H+](C)CCO)C(=O)[C@@H]1CCNC1=O ZINC000912598876 640120826 /nfs/dbraw/zinc/12/08/26/640120826.db2.gz IUNPFLJLLAXATJ-SECBINFHSA-N 1 0 243.307 -1.495 20 0 BAADRO CN(CC[N@H+](C)CCO)C(=O)[C@H]1CCNC1=O ZINC000912598896 640121185 /nfs/dbraw/zinc/12/11/85/640121185.db2.gz IUNPFLJLLAXATJ-VIFPVBQESA-N 1 0 243.307 -1.495 20 0 BAADRO CN(CC[N@H+](C)CCO)C(=O)[C@H]1COC(=O)N1 ZINC000912599005 640120879 /nfs/dbraw/zinc/12/08/79/640120879.db2.gz GTEDQDKZNNCJQO-MRVPVSSYSA-N 1 0 245.279 -1.523 20 0 BAADRO CN(CC[N@H+](C)CCO)C(=O)[C@@H]1COC(=O)N1 ZINC000912599006 640121773 /nfs/dbraw/zinc/12/17/73/640121773.db2.gz GTEDQDKZNNCJQO-QMMMGPOBSA-N 1 0 245.279 -1.523 20 0 BAADRO CN(CC[N@H+](C)CCO)C(=O)[C@@]1(O)CCOC1 ZINC000912599725 640127312 /nfs/dbraw/zinc/12/73/12/640127312.db2.gz RGZONCMGYLONLU-LLVKDONJSA-N 1 0 246.307 -1.480 20 0 BAADRO CN(CC[N@H+](C)CCO)C(=O)[C@]1(O)CCOC1 ZINC000912599726 640126231 /nfs/dbraw/zinc/12/62/31/640126231.db2.gz RGZONCMGYLONLU-NSHDSACASA-N 1 0 246.307 -1.480 20 0 BAADRO CN(CC[N@H+](C)CCO)C(=O)[C@H]1CC(=O)N1 ZINC000912600266 640127216 /nfs/dbraw/zinc/12/72/16/640127216.db2.gz YODVHBXTTBLADQ-MRVPVSSYSA-N 1 0 229.280 -1.743 20 0 BAADRO CN(CC[N@H+](C)CCO)C(=O)[C@@H]1CC(=O)N1 ZINC000912600267 640124916 /nfs/dbraw/zinc/12/49/16/640124916.db2.gz YODVHBXTTBLADQ-QMMMGPOBSA-N 1 0 229.280 -1.743 20 0 BAADRO CN(CC[N@H+](C)CCO)C(=O)C(=O)NC1CC1 ZINC000912606314 640138783 /nfs/dbraw/zinc/13/87/83/640138783.db2.gz OBQPESHCKIIXGG-UHFFFAOYSA-N 1 0 243.307 -1.353 20 0 BAADRO COC[C@@](C)(O)C(=O)N(C)CC[N@H+](C)CCO ZINC000912606719 640135807 /nfs/dbraw/zinc/13/58/07/640135807.db2.gz FYKOTXOIPUESIX-LLVKDONJSA-N 1 0 248.323 -1.234 20 0 BAADRO COC[C@](C)(O)C(=O)N(C)CC[N@H+](C)CCO ZINC000912606758 640136528 /nfs/dbraw/zinc/13/65/28/640136528.db2.gz FYKOTXOIPUESIX-NSHDSACASA-N 1 0 248.323 -1.234 20 0 BAADRO CN(CC[N@H+](C)CCO)C(=O)C1(C(N)=O)CC1 ZINC000912606982 640136041 /nfs/dbraw/zinc/13/60/41/640136041.db2.gz NENMREZLXFXXDA-UHFFFAOYSA-N 1 0 243.307 -1.366 20 0 BAADRO CNC(=O)NCC(=O)N(C)CC[N@H+](C)CCO ZINC000912608563 640138252 /nfs/dbraw/zinc/13/82/52/640138252.db2.gz UJCNQYGVDZHXOP-UHFFFAOYSA-N 1 0 246.311 -1.702 20 0 BAADRO COC(=O)NCC(=O)N(C)CC[N@H+](C)CCO ZINC000912608891 640137898 /nfs/dbraw/zinc/13/78/98/640137898.db2.gz PXAXKUIXEANXPE-UHFFFAOYSA-N 1 0 247.295 -1.275 20 0 BAADRO COC(=O)CC(=O)N(C)CC[N@H+](C)CCO ZINC000912609897 640135732 /nfs/dbraw/zinc/13/57/32/640135732.db2.gz RAMPPMBBJJDKQT-UHFFFAOYSA-N 1 0 232.280 -1.068 20 0 BAADRO C[C@H](CC(N)=O)C(=O)N1CCN(C)C[C@H]1CO ZINC000912739181 640187769 /nfs/dbraw/zinc/18/77/69/640187769.db2.gz SBWGBXPEVGYFHA-BDAKNGLRSA-N 1 0 243.307 -1.367 20 0 BAADRO C[C@@H](CC(N)=O)C(=O)N1CCN(C)C[C@@H]1CO ZINC000912739182 640186912 /nfs/dbraw/zinc/18/69/12/640186912.db2.gz SBWGBXPEVGYFHA-DTWKUNHWSA-N 1 0 243.307 -1.367 20 0 BAADRO C[C@@H](CC(N)=O)C(=O)N1CCN(C)C[C@H]1CO ZINC000912739183 640185726 /nfs/dbraw/zinc/18/57/26/640185726.db2.gz SBWGBXPEVGYFHA-IUCAKERBSA-N 1 0 243.307 -1.367 20 0 BAADRO C[C@H](CC(N)=O)C(=O)N1CCN(C)C[C@@H]1CO ZINC000912739184 640185201 /nfs/dbraw/zinc/18/52/01/640185201.db2.gz SBWGBXPEVGYFHA-RKDXNWHRSA-N 1 0 243.307 -1.367 20 0 BAADRO O=C(Cn1cnnn1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912924059 640252750 /nfs/dbraw/zinc/25/27/50/640252750.db2.gz PQLPEIKEDBYOLR-SECBINFHSA-N 1 0 236.279 -1.020 20 0 BAADRO O=C(Cn1cnnn1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912924060 640251699 /nfs/dbraw/zinc/25/16/99/640251699.db2.gz PQLPEIKEDBYOLR-VIFPVBQESA-N 1 0 236.279 -1.020 20 0 BAADRO CN1C[C@H](O)C[C@]1(C)C(=O)NN1CCOC1=O ZINC000912996525 640277907 /nfs/dbraw/zinc/27/79/07/640277907.db2.gz ULMZRWQLSLHNQS-GMSGAONNSA-N 1 0 243.263 -1.075 20 0 BAADRO CN1C[C@@H](O)C[C@]1(C)C(=O)NN1CCOC1=O ZINC000912996526 640277511 /nfs/dbraw/zinc/27/75/11/640277511.db2.gz ULMZRWQLSLHNQS-OIBJUYFYSA-N 1 0 243.263 -1.075 20 0 BAADRO CN1C[C@H](O)C[C@@]1(C)C(=O)NN1CCOC1=O ZINC000912996527 640276576 /nfs/dbraw/zinc/27/65/76/640276576.db2.gz ULMZRWQLSLHNQS-XCBNKYQSSA-N 1 0 243.263 -1.075 20 0 BAADRO CN1C[C@@H](O)C[C@@]1(C)C(=O)NN1CCOC1=O ZINC000912996528 640278151 /nfs/dbraw/zinc/27/81/51/640278151.db2.gz ULMZRWQLSLHNQS-XVKPBYJWSA-N 1 0 243.263 -1.075 20 0 BAADRO C[NH+](C)CC(=O)N1CC(NS(N)(=O)=O)C1 ZINC000913055923 640294505 /nfs/dbraw/zinc/29/45/05/640294505.db2.gz BDWOZTKXLYHJPT-UHFFFAOYSA-N 1 0 236.297 -2.448 20 0 BAADRO C[C@@H](C(=O)N1CC(O)(C(N)=O)C1)[NH+](C)C ZINC000913070634 640291631 /nfs/dbraw/zinc/29/16/31/640291631.db2.gz AQXYJVWAAINMRU-LURJTMIESA-N 1 0 215.253 -2.005 20 0 BAADRO C[C@H](C(=O)N1CC(O)(C(N)=O)C1)[NH+](C)C ZINC000913070639 640291993 /nfs/dbraw/zinc/29/19/93/640291993.db2.gz AQXYJVWAAINMRU-ZCFIWIBFSA-N 1 0 215.253 -2.005 20 0 BAADRO C[N@H+](CC(=O)N1CC(O)(C(N)=O)C1)C1CCC1 ZINC000913070673 640291437 /nfs/dbraw/zinc/29/14/37/640291437.db2.gz BIBIUMPZPDLSEL-UHFFFAOYSA-N 1 0 241.291 -1.471 20 0 BAADRO C[NH+](C)C1(C(=O)N2CC(O)(C(N)=O)C2)CC1 ZINC000913070690 640291301 /nfs/dbraw/zinc/29/13/01/640291301.db2.gz BULFXXUWEKGJJJ-UHFFFAOYSA-N 1 0 227.264 -1.861 20 0 BAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(C(N)=O)C2)C1 ZINC000913071146 640292284 /nfs/dbraw/zinc/29/22/84/640292284.db2.gz LQJUXNIXWVGOOV-MRVPVSSYSA-N 1 0 241.291 -1.613 20 0 BAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(C(N)=O)C2)C1 ZINC000913071147 640291334 /nfs/dbraw/zinc/29/13/34/640291334.db2.gz LQJUXNIXWVGOOV-QMMMGPOBSA-N 1 0 241.291 -1.613 20 0 BAADRO C[C@@H]1[C@H](C(=O)N2CC(O)(C(N)=O)C2)CC[N@@H+]1C ZINC000913071422 640291202 /nfs/dbraw/zinc/29/12/02/640291202.db2.gz RZPJHWLOSUBSDN-HTQZYQBOSA-N 1 0 241.291 -1.615 20 0 BAADRO CC[C@H](C(=O)N1CC(O)(C(N)=O)C1)[NH+](C)C ZINC000913071474 640291155 /nfs/dbraw/zinc/29/11/55/640291155.db2.gz RFTWUBKMJUNENV-SSDOTTSWSA-N 1 0 229.280 -1.615 20 0 BAADRO CC[C@@H](C(=O)N1CC(O)(C(N)=O)C1)[NH+](C)C ZINC000913071476 640292241 /nfs/dbraw/zinc/29/22/41/640292241.db2.gz RFTWUBKMJUNENV-ZETCQYMHSA-N 1 0 229.280 -1.615 20 0 BAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(C(N)=O)C1 ZINC000913071789 640291530 /nfs/dbraw/zinc/29/15/30/640291530.db2.gz ZPUDPSHELBVUJN-SSDOTTSWSA-N 1 0 227.264 -1.861 20 0 BAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(C(N)=O)C1 ZINC000913071790 640291419 /nfs/dbraw/zinc/29/14/19/640291419.db2.gz ZPUDPSHELBVUJN-ZETCQYMHSA-N 1 0 227.264 -1.861 20 0 BAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(C(N)=O)C2)C1 ZINC000913072104 640292345 /nfs/dbraw/zinc/29/23/45/640292345.db2.gz BGSNRUMPPUGPDP-SSDOTTSWSA-N 1 0 227.264 -2.003 20 0 BAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(C(N)=O)C2)C1 ZINC000913072107 640291941 /nfs/dbraw/zinc/29/19/41/640291941.db2.gz BGSNRUMPPUGPDP-ZETCQYMHSA-N 1 0 227.264 -2.003 20 0 BAADRO C[NH+](C)C1(C(=O)N2CC(O)(C(N)=O)C2)CCC1 ZINC000913072788 640294442 /nfs/dbraw/zinc/29/44/42/640294442.db2.gz VKTHLEIYOZVMPE-UHFFFAOYSA-N 1 0 241.291 -1.471 20 0 BAADRO CCC[N@H+](C)CC(=O)N1CC(O)(C(N)=O)C1 ZINC000913073613 640299351 /nfs/dbraw/zinc/29/93/51/640299351.db2.gz JBXZGDGLACTYLN-UHFFFAOYSA-N 1 0 229.280 -1.613 20 0 BAADRO NC(=O)C1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC000913073709 640299547 /nfs/dbraw/zinc/29/95/47/640299547.db2.gz ITHGKHBNECCVKE-UHFFFAOYSA-N 1 0 227.264 -1.859 20 0 BAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(O)(C(N)=O)C1 ZINC000913073784 640299704 /nfs/dbraw/zinc/29/97/04/640299704.db2.gz MIHSWJZGUYFECI-MRVPVSSYSA-N 1 0 241.291 -1.471 20 0 BAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC(O)(C(N)=O)C1 ZINC000913073785 640300354 /nfs/dbraw/zinc/30/03/54/640300354.db2.gz MIHSWJZGUYFECI-QMMMGPOBSA-N 1 0 241.291 -1.471 20 0 BAADRO C[NH+](C)CC(=O)N1CC(O)(C(N)=O)C1 ZINC000913074319 640302191 /nfs/dbraw/zinc/30/21/91/640302191.db2.gz VPQKVLGUYAMPKE-UHFFFAOYSA-N 1 0 201.226 -2.393 20 0 BAADRO CC(C)[C@H](C(=O)N1CC(O)(C(N)=O)C1)[NH+](C)C ZINC000913074539 640302349 /nfs/dbraw/zinc/30/23/49/640302349.db2.gz YZQHRBAMDUIUDV-MRVPVSSYSA-N 1 0 243.307 -1.369 20 0 BAADRO CC(C)[C@@H](C(=O)N1CC(O)(C(N)=O)C1)[NH+](C)C ZINC000913074546 640300903 /nfs/dbraw/zinc/30/09/03/640300903.db2.gz YZQHRBAMDUIUDV-QMMMGPOBSA-N 1 0 243.307 -1.369 20 0 BAADRO CC[N@H+](CC(=O)N1CC(O)(C(N)=O)C1)C1CC1 ZINC000913074569 640301347 /nfs/dbraw/zinc/30/13/47/640301347.db2.gz YIIQZJNDDHDFPJ-UHFFFAOYSA-N 1 0 241.291 -1.471 20 0 BAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(C(N)=O)C1 ZINC000913074948 640302299 /nfs/dbraw/zinc/30/22/99/640302299.db2.gz HRHIQLWMSWFMPQ-UHFFFAOYSA-N 1 0 229.280 -1.615 20 0 BAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000913171151 640316736 /nfs/dbraw/zinc/31/67/36/640316736.db2.gz GLTBXQKTJWRRHB-HLTSFMKQSA-N 1 0 241.291 -1.709 20 0 BAADRO COC(=O)CC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000913171434 640317226 /nfs/dbraw/zinc/31/72/26/640317226.db2.gz LXPUNUHQFCWRKD-MRVPVSSYSA-N 1 0 230.264 -1.268 20 0 BAADRO C[NH+](C)CC(=O)NC[C@]1(CO)COCCN1 ZINC000913187847 711821224 /nfs/dbraw/zinc/82/12/24/711821224.db2.gz FHIDBLWFZRYWOE-JTQLQIEISA-N 1 0 231.296 -1.985 20 0 BAADRO C[NH+](C)CC(=O)NC[C@@]1(CO)COCCN1 ZINC000913187853 711821142 /nfs/dbraw/zinc/82/11/42/711821142.db2.gz FHIDBLWFZRYWOE-SNVBAGLBSA-N 1 0 231.296 -1.985 20 0 BAADRO C[N@@H+]1CC[C@@H](C(=O)Nn2ccc(=O)[nH]c2=O)C1 ZINC000913239434 640343567 /nfs/dbraw/zinc/34/35/67/640343567.db2.gz MITKZBHNUVVFJL-SSDOTTSWSA-N 1 0 238.247 -1.029 20 0 BAADRO C[N@@H+]1CC[C@H](C(=O)Nn2ccc(=O)[nH]c2=O)C1 ZINC000913239435 640344011 /nfs/dbraw/zinc/34/40/11/640344011.db2.gz MITKZBHNUVVFJL-ZETCQYMHSA-N 1 0 238.247 -1.029 20 0 BAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000913351419 711821751 /nfs/dbraw/zinc/82/17/51/711821751.db2.gz GLTBXQKTJWRRHB-YIZRAAEISA-N 1 0 241.291 -1.709 20 0 BAADRO COC(=O)CC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000913351712 711821735 /nfs/dbraw/zinc/82/17/35/711821735.db2.gz LXPUNUHQFCWRKD-QMMMGPOBSA-N 1 0 230.264 -1.268 20 0 BAADRO CN1C[C@@H](O)C[C@@]1(C)C(=O)N[C@@H]1COC[C@@H]1O ZINC000913434019 640371061 /nfs/dbraw/zinc/37/10/61/640371061.db2.gz ZNPKNNMRVDUXOR-DKIAZLNASA-N 1 0 244.291 -1.683 20 0 BAADRO CN1C[C@@H](O)C[C@]1(C)C(=O)N[C@@H]1COC[C@@H]1O ZINC000913434020 640371733 /nfs/dbraw/zinc/37/17/33/640371733.db2.gz ZNPKNNMRVDUXOR-QCBRBAQYSA-N 1 0 244.291 -1.683 20 0 BAADRO CN1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1COC[C@@H]1O ZINC000913434021 640371218 /nfs/dbraw/zinc/37/12/18/640371218.db2.gz ZNPKNNMRVDUXOR-REIXXSIJSA-N 1 0 244.291 -1.683 20 0 BAADRO CN1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1COC[C@@H]1O ZINC000913434022 640371451 /nfs/dbraw/zinc/37/14/51/640371451.db2.gz ZNPKNNMRVDUXOR-SDNRWEOFSA-N 1 0 244.291 -1.683 20 0 BAADRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CNC(N)=O ZINC000913539038 640389914 /nfs/dbraw/zinc/38/99/14/640389914.db2.gz AQEZYMOWGICKMI-OCAPTIKFSA-N 1 0 226.280 -1.040 20 0 BAADRO C[C@H](CC(N)=O)C(=O)N1CCN(C)[C@H](CO)C1 ZINC000913543765 640392466 /nfs/dbraw/zinc/39/24/66/640392466.db2.gz PHISAKLAZLVQKX-BDAKNGLRSA-N 1 0 243.307 -1.367 20 0 BAADRO C[C@@H](CC(N)=O)C(=O)N1CCN(C)[C@@H](CO)C1 ZINC000913543766 640391629 /nfs/dbraw/zinc/39/16/29/640391629.db2.gz PHISAKLAZLVQKX-DTWKUNHWSA-N 1 0 243.307 -1.367 20 0 BAADRO C[C@@H](CC(N)=O)C(=O)N1CCN(C)[C@H](CO)C1 ZINC000913543767 640392715 /nfs/dbraw/zinc/39/27/15/640392715.db2.gz PHISAKLAZLVQKX-IUCAKERBSA-N 1 0 243.307 -1.367 20 0 BAADRO C[C@H](CC(N)=O)C(=O)N1CCN(C)[C@@H](CO)C1 ZINC000913543768 640391972 /nfs/dbraw/zinc/39/19/72/640391972.db2.gz PHISAKLAZLVQKX-RKDXNWHRSA-N 1 0 243.307 -1.367 20 0 BAADRO Cn1nncc1C(=O)N1CCN(C)[C@@H](CO)C1 ZINC000913543824 640393634 /nfs/dbraw/zinc/39/36/34/640393634.db2.gz QIYHLQNAZAPDGG-MRVPVSSYSA-N 1 0 239.279 -1.436 20 0 BAADRO Cn1nncc1C(=O)N1CCN(C)[C@H](CO)C1 ZINC000913543825 640392267 /nfs/dbraw/zinc/39/22/67/640392267.db2.gz QIYHLQNAZAPDGG-QMMMGPOBSA-N 1 0 239.279 -1.436 20 0 BAADRO CN1CCN(C(=O)[C@H](O)C2CC2)C[C@@H]1CO ZINC000913543898 640393237 /nfs/dbraw/zinc/39/32/37/640393237.db2.gz SJJHYBLYXYUHRA-NXEZZACHSA-N 1 0 228.292 -1.108 20 0 BAADRO CN1CCN(C(=O)[C@@H](O)C2CC2)C[C@H]1CO ZINC000913543899 640390925 /nfs/dbraw/zinc/39/09/25/640390925.db2.gz SJJHYBLYXYUHRA-UWVGGRQHSA-N 1 0 228.292 -1.108 20 0 BAADRO CN1CCN(C(=O)[C@H](O)C2CC2)C[C@H]1CO ZINC000913543900 640391770 /nfs/dbraw/zinc/39/17/70/640391770.db2.gz SJJHYBLYXYUHRA-VHSXEESVSA-N 1 0 228.292 -1.108 20 0 BAADRO CN1CCN(C(=O)[C@@H](O)C2CC2)C[C@@H]1CO ZINC000913543901 640392802 /nfs/dbraw/zinc/39/28/02/640392802.db2.gz SJJHYBLYXYUHRA-ZJUUUORDSA-N 1 0 228.292 -1.108 20 0 BAADRO CN1CCN(C(=O)CC2OCCO2)C[C@@H]1CO ZINC000913544280 640392047 /nfs/dbraw/zinc/39/20/47/640392047.db2.gz AREMVGOMQDCFSP-SECBINFHSA-N 1 0 244.291 -1.116 20 0 BAADRO CN1CCN(C(=O)CC2OCCO2)C[C@H]1CO ZINC000913544281 640393942 /nfs/dbraw/zinc/39/39/42/640393942.db2.gz AREMVGOMQDCFSP-VIFPVBQESA-N 1 0 244.291 -1.116 20 0 BAADRO C[C@H](O)C(=O)N1CCN(C)[C@@H](CO)C1 ZINC000913544495 640391943 /nfs/dbraw/zinc/39/19/43/640391943.db2.gz GOTNRCMLOHDNJK-JGVFFNPUSA-N 1 0 202.254 -1.498 20 0 BAADRO C[C@H](O)C(=O)N1CCN(C)[C@H](CO)C1 ZINC000913544496 640391135 /nfs/dbraw/zinc/39/11/35/640391135.db2.gz GOTNRCMLOHDNJK-YUMQZZPRSA-N 1 0 202.254 -1.498 20 0 BAADRO CNC(=O)NCC(=O)NC12CC[NH+](CC1)C2 ZINC000913632209 641430169 /nfs/dbraw/zinc/43/01/69/641430169.db2.gz UKLKALPXMUDCEH-UHFFFAOYSA-N 1 0 226.280 -1.120 20 0 BAADRO CN1C[C@H](C(=O)NC23CC[NH+](CC2)C3)NC1=O ZINC000913635059 641437671 /nfs/dbraw/zinc/43/76/71/641437671.db2.gz ORMWEWXPRNWAKD-MRVPVSSYSA-N 1 0 238.291 -1.026 20 0 BAADRO CN1C[C@@H](C(=O)NC23CC[NH+](CC2)C3)NC1=O ZINC000913635060 641436762 /nfs/dbraw/zinc/43/67/62/641436762.db2.gz ORMWEWXPRNWAKD-QMMMGPOBSA-N 1 0 238.291 -1.026 20 0 BAADRO O=C(NC12CC[NH+](CC1)C2)[C@H]1CC(=O)N1 ZINC000913635230 641438113 /nfs/dbraw/zinc/43/81/13/641438113.db2.gz WJJOOURGUBXXPG-SSDOTTSWSA-N 1 0 209.249 -1.161 20 0 BAADRO O=C(NC12CC[NH+](CC1)C2)[C@@H]1CC(=O)N1 ZINC000913635231 641437136 /nfs/dbraw/zinc/43/71/36/641437136.db2.gz WJJOOURGUBXXPG-ZETCQYMHSA-N 1 0 209.249 -1.161 20 0 BAADRO CN1CC[N@H+](C)CC(C(=O)NC2COC2)C1 ZINC000913674191 641457568 /nfs/dbraw/zinc/45/75/68/641457568.db2.gz HFTBCQKFDMVSLW-UHFFFAOYSA-N 1 0 227.308 -1.005 20 0 BAADRO C[C@@H](O)[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000913722590 711850734 /nfs/dbraw/zinc/85/07/34/711850734.db2.gz ILKCRUFHJZINDC-HLTSFMKQSA-N 1 0 216.281 -1.062 20 0 BAADRO C[C@@H](O)[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000913722593 711850695 /nfs/dbraw/zinc/85/06/95/711850695.db2.gz ILKCRUFHJZINDC-HRDYMLBCSA-N 1 0 216.281 -1.062 20 0 BAADRO C[C@@H](O)[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000913722594 711850724 /nfs/dbraw/zinc/85/07/24/711850724.db2.gz ILKCRUFHJZINDC-IWSPIJDZSA-N 1 0 216.281 -1.062 20 0 BAADRO C[C@@H](O)[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000913722596 711850707 /nfs/dbraw/zinc/85/07/07/711850707.db2.gz ILKCRUFHJZINDC-VGMNWLOBSA-N 1 0 216.281 -1.062 20 0 BAADRO C[NH+](C)CCNS(=O)(=O)[C@@H]1COC[C@H]1O ZINC000913826249 641488432 /nfs/dbraw/zinc/48/84/32/641488432.db2.gz JQLYXSGGZSGCIU-HTQZYQBOSA-N 1 0 238.309 -1.773 20 0 BAADRO CNC(=O)CNC(=O)NC[C@H]1CC[N@@H+]1C ZINC000913907199 641517496 /nfs/dbraw/zinc/51/74/96/641517496.db2.gz NUFWCOXJSOYGQG-SSDOTTSWSA-N 1 0 214.269 -1.264 20 0 BAADRO CNC(=O)CNC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000913907200 641517831 /nfs/dbraw/zinc/51/78/31/641517831.db2.gz NUFWCOXJSOYGQG-ZETCQYMHSA-N 1 0 214.269 -1.264 20 0 BAADRO C[N@@H+]1CC[C@@H]1CNC(=O)NCCC(N)=O ZINC000914007415 641540797 /nfs/dbraw/zinc/54/07/97/641540797.db2.gz ZWUCLHRCKBXISP-SSDOTTSWSA-N 1 0 214.269 -1.135 20 0 BAADRO C[N@@H+]1CC[C@H]1CNC(=O)NCCC(N)=O ZINC000914007416 641541128 /nfs/dbraw/zinc/54/11/28/641541128.db2.gz ZWUCLHRCKBXISP-ZETCQYMHSA-N 1 0 214.269 -1.135 20 0 BAADRO C[NH+](C)CCNC(=S)N1CCNC(=O)C1 ZINC000916123941 641910757 /nfs/dbraw/zinc/91/07/57/641910757.db2.gz XORBRQLDUHMSPO-UHFFFAOYSA-N 1 0 230.337 -1.146 20 0 BAADRO CNC(=O)CNC(=S)NCC[NH+](C)C ZINC000916546908 641946215 /nfs/dbraw/zinc/94/62/15/641946215.db2.gz LHHRXWQEUUHCDH-UHFFFAOYSA-N 1 0 218.326 -1.242 20 0 BAADRO CN(CC(N)=O)C[C@@H](O)C[NH+]1CCCC1 ZINC000917054932 641999513 /nfs/dbraw/zinc/99/95/13/641999513.db2.gz FUWOBSJZBXSHTH-SECBINFHSA-N 1 0 215.297 -1.140 20 0 BAADRO CN(CC(N)=O)C[C@H](O)C[NH+]1CCCC1 ZINC000917054933 641998843 /nfs/dbraw/zinc/99/88/43/641998843.db2.gz FUWOBSJZBXSHTH-VIFPVBQESA-N 1 0 215.297 -1.140 20 0 BAADRO CCO[C@H](CNS(N)(=O)=O)C[NH+](C)C ZINC000921637910 643637450 /nfs/dbraw/zinc/63/74/50/643637450.db2.gz XWQUEHKOAJCIEU-SSDOTTSWSA-N 1 0 225.314 -1.254 20 0 BAADRO CCO[C@@H](CNS(N)(=O)=O)C[NH+](C)C ZINC000921637927 643637935 /nfs/dbraw/zinc/63/79/35/643637935.db2.gz XWQUEHKOAJCIEU-ZETCQYMHSA-N 1 0 225.314 -1.254 20 0 BAADRO C[NH+](C)CC(=O)N1CCC(=O)NCC12COC2 ZINC000921806767 643797530 /nfs/dbraw/zinc/79/75/30/643797530.db2.gz XZMLTGDFMHTRQI-UHFFFAOYSA-N 1 0 241.291 -1.335 20 0 BAADRO C[N@H+](CCNC(=O)C(C)(C)O)CCOCCO ZINC000922115922 643864530 /nfs/dbraw/zinc/86/45/30/643864530.db2.gz ABXAICAGUOWANF-UHFFFAOYSA-N 1 0 248.323 -1.186 20 0 BAADRO C[C@H](O)C(=O)NCC[N@H+](C)CCOCCO ZINC000922117304 643866107 /nfs/dbraw/zinc/86/61/07/643866107.db2.gz QNXSXGKGFMRWQB-VIFPVBQESA-N 1 0 234.296 -1.576 20 0 BAADRO C[N@H+](CCNC(=O)CO)CCOCCO ZINC000922117390 643866476 /nfs/dbraw/zinc/86/64/76/643866476.db2.gz LEYYRKFVZZIPEG-UHFFFAOYSA-N 1 0 220.269 -1.964 20 0 BAADRO C[C@@H](O)C(=O)NCC[N@H+](C)CCOCCO ZINC000922118230 643866148 /nfs/dbraw/zinc/86/61/48/643866148.db2.gz QNXSXGKGFMRWQB-SECBINFHSA-N 1 0 234.296 -1.576 20 0 BAADRO COCC(=O)NCC[N@H+](C)CCOCCO ZINC000922127116 643867820 /nfs/dbraw/zinc/86/78/20/643867820.db2.gz KWUHUDKMZIRDAX-UHFFFAOYSA-N 1 0 234.296 -1.310 20 0 BAADRO CCN1CC[C@@H]1CNC(=O)CS(=O)(=O)NC ZINC000922158788 643877486 /nfs/dbraw/zinc/87/74/86/643877486.db2.gz KDTNPLYMQNRJCJ-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO CCN1CC[C@H]1CNC(=O)CS(=O)(=O)NC ZINC000922158808 643876223 /nfs/dbraw/zinc/87/62/23/643876223.db2.gz KDTNPLYMQNRJCJ-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO CC[N@@H+]1CC[C@@H]1CNC(=O)CCNC(=O)CO ZINC000922168972 643889216 /nfs/dbraw/zinc/88/92/16/643889216.db2.gz PSDHETLNOHZIOL-SECBINFHSA-N 1 0 243.307 -1.305 20 0 BAADRO CC[N@@H+]1CC[C@H]1CNC(=O)CCNC(=O)CO ZINC000922168973 643889736 /nfs/dbraw/zinc/88/97/36/643889736.db2.gz PSDHETLNOHZIOL-VIFPVBQESA-N 1 0 243.307 -1.305 20 0 BAADRO C[NH+](C)C1(CNC(=O)NC(CO)CO)CC1 ZINC000923006867 644226008 /nfs/dbraw/zinc/22/60/08/644226008.db2.gz GVIXNASPPSGXRZ-UHFFFAOYSA-N 1 0 231.296 -1.267 20 0 BAADRO C[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CCNC1=O ZINC000923161321 644280725 /nfs/dbraw/zinc/28/07/25/644280725.db2.gz ACKMNFQMQWTWML-HTQZYQBOSA-N 1 0 226.280 -1.122 20 0 BAADRO C[N@@H+]1CC[C@H]1CNC(=O)N[C@@H]1CCNC1=O ZINC000923161322 644281198 /nfs/dbraw/zinc/28/11/98/644281198.db2.gz ACKMNFQMQWTWML-JGVFFNPUSA-N 1 0 226.280 -1.122 20 0 BAADRO C[N@@H+]1CC[C@@H]1CNC(=O)N[C@H]1CCNC1=O ZINC000923161323 644281764 /nfs/dbraw/zinc/28/17/64/644281764.db2.gz ACKMNFQMQWTWML-SFYZADRCSA-N 1 0 226.280 -1.122 20 0 BAADRO C[N@@H+]1CC[C@H]1CNC(=O)N[C@H]1CCNC1=O ZINC000923161324 644281790 /nfs/dbraw/zinc/28/17/90/644281790.db2.gz ACKMNFQMQWTWML-YUMQZZPRSA-N 1 0 226.280 -1.122 20 0 BAADRO O=C1CN(C[C@H]2CC3(C[NH2+]C3)CO2)CCN1 ZINC000923296690 644335068 /nfs/dbraw/zinc/33/50/68/644335068.db2.gz AGOWGHKKUIXUFL-SECBINFHSA-N 1 0 225.292 -1.203 20 0 BAADRO O=C1CN(C[C@@H]2CC3(C[NH2+]C3)CO2)CCN1 ZINC000923296692 644335492 /nfs/dbraw/zinc/33/54/92/644335492.db2.gz AGOWGHKKUIXUFL-VIFPVBQESA-N 1 0 225.292 -1.203 20 0 BAADRO CN(C)C(=O)CN(C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923298844 644337007 /nfs/dbraw/zinc/33/70/07/644337007.db2.gz PZYLGRRKLGQZNH-CIUDSAMLSA-N 1 0 215.297 -1.143 20 0 BAADRO CN(CCS(C)(=O)=O)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923303246 644340666 /nfs/dbraw/zinc/34/06/66/644340666.db2.gz JXSOLUYSMSODLQ-CIUDSAMLSA-N 1 0 236.337 -1.187 20 0 BAADRO CCN(CC(=O)NC)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923305217 644340375 /nfs/dbraw/zinc/34/03/75/644340375.db2.gz VRLCEQKCUHQBQI-CIUDSAMLSA-N 1 0 215.297 -1.095 20 0 BAADRO CCNC(=O)CN(C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923307074 644337460 /nfs/dbraw/zinc/33/74/60/644337460.db2.gz SQOFLCSRFIGLAT-CIUDSAMLSA-N 1 0 215.297 -1.095 20 0 BAADRO CN1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1=O ZINC000923316607 644342690 /nfs/dbraw/zinc/34/26/90/644342690.db2.gz PNTSQHYUCRTBKY-CIUDSAMLSA-N 1 0 213.281 -1.389 20 0 BAADRO CSC[C@H](O)CN(CC[NH3+])CCO ZINC000923331346 644350545 /nfs/dbraw/zinc/35/05/45/644350545.db2.gz JXPRMNMZYJAYER-MRVPVSSYSA-N 1 0 208.327 -1.037 20 0 BAADRO CSC[C@@H](O)CN(CC[NH3+])CCO ZINC000923331350 644348642 /nfs/dbraw/zinc/34/86/42/644348642.db2.gz JXPRMNMZYJAYER-QMMMGPOBSA-N 1 0 208.327 -1.037 20 0 BAADRO [NH3+]C[C@@H]1CN(C[C@@H](O)Cn2cccn2)CCO1 ZINC000923331809 644360822 /nfs/dbraw/zinc/36/08/22/644360822.db2.gz GNEQPCMPVPHRDH-GHMZBOCLSA-N 1 0 240.307 -1.097 20 0 BAADRO [NH3+]C[C@H]1CN(C[C@@H](O)Cn2cccn2)CCO1 ZINC000923331810 644360602 /nfs/dbraw/zinc/36/06/02/644360602.db2.gz GNEQPCMPVPHRDH-MNOVXSKESA-N 1 0 240.307 -1.097 20 0 BAADRO [NH3+]C[C@H]1CN(C[C@H](O)Cn2cccn2)CCO1 ZINC000923331811 644360018 /nfs/dbraw/zinc/36/00/18/644360018.db2.gz GNEQPCMPVPHRDH-QWRGUYRKSA-N 1 0 240.307 -1.097 20 0 BAADRO [NH3+]C[C@@H]1CN(C[C@H](O)Cn2cccn2)CCO1 ZINC000923331812 644360456 /nfs/dbraw/zinc/36/04/56/644360456.db2.gz GNEQPCMPVPHRDH-WDEREUQCSA-N 1 0 240.307 -1.097 20 0 BAADRO CCOC[C@H](O)CN(CC[NH3+])CCO ZINC000923332244 644351018 /nfs/dbraw/zinc/35/10/18/644351018.db2.gz RBLOSPNANIYVOE-SECBINFHSA-N 1 0 206.286 -1.363 20 0 BAADRO CCOC[C@@H](O)CN(CC[NH3+])CCO ZINC000923332245 644352558 /nfs/dbraw/zinc/35/25/58/644352558.db2.gz RBLOSPNANIYVOE-VIFPVBQESA-N 1 0 206.286 -1.363 20 0 BAADRO O=C1CNCCN1[C@H]1CCC[N@@H+](CCO)C1 ZINC000923332957 644353785 /nfs/dbraw/zinc/35/37/85/644353785.db2.gz OSVFBIOQVFOSGL-JTQLQIEISA-N 1 0 227.308 -1.125 20 0 BAADRO O=C1CNCCN1[C@@H]1CCC[N@@H+](CCO)C1 ZINC000923332959 644354514 /nfs/dbraw/zinc/35/45/14/644354514.db2.gz OSVFBIOQVFOSGL-SNVBAGLBSA-N 1 0 227.308 -1.125 20 0 BAADRO COC[C@H](O)CN1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000923352825 644370431 /nfs/dbraw/zinc/37/04/31/644370431.db2.gz FTHABAMZMSOJKE-NXEZZACHSA-N 1 0 246.307 -1.169 20 0 BAADRO COC[C@@H](O)CN1CCC[NH2+]C[C@H]1C(=O)OC ZINC000923352826 644369756 /nfs/dbraw/zinc/36/97/56/644369756.db2.gz FTHABAMZMSOJKE-UWVGGRQHSA-N 1 0 246.307 -1.169 20 0 BAADRO COC[C@@H](O)CN1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000923352827 644369281 /nfs/dbraw/zinc/36/92/81/644369281.db2.gz FTHABAMZMSOJKE-VHSXEESVSA-N 1 0 246.307 -1.169 20 0 BAADRO COC[C@H](O)CN1CCC[NH2+]C[C@H]1C(=O)OC ZINC000923352828 644370655 /nfs/dbraw/zinc/37/06/55/644370655.db2.gz FTHABAMZMSOJKE-ZJUUUORDSA-N 1 0 246.307 -1.169 20 0 BAADRO CN(CCN1C(=O)CN(C)C1=O)C1C[NH2+]C1 ZINC000923357148 644375763 /nfs/dbraw/zinc/37/57/63/644375763.db2.gz STMYPRDHXIGLSJ-UHFFFAOYSA-N 1 0 226.280 -1.216 20 0 BAADRO CN(CC[NH3+])CCN1C(=O)CN(C)C1=O ZINC000923380522 644393852 /nfs/dbraw/zinc/39/38/52/644393852.db2.gz XRIROEQBTMZIJQ-UHFFFAOYSA-N 1 0 214.269 -1.229 20 0 BAADRO CC(=O)NCCN(C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923385193 644395801 /nfs/dbraw/zinc/39/58/01/644395801.db2.gz XHDQWRUJCQMXPH-GUBZILKMSA-N 1 0 215.297 -1.095 20 0 BAADRO CC[C@H](O)CN(CC[NH3+])C[C@@H](O)CO ZINC000923387527 644400437 /nfs/dbraw/zinc/40/04/37/644400437.db2.gz LGJRYVKHZOKJLW-DTWKUNHWSA-N 1 0 206.286 -1.629 20 0 BAADRO CC[C@H](O)CN(CC[NH3+])C[C@H](O)CO ZINC000923387528 644398519 /nfs/dbraw/zinc/39/85/19/644398519.db2.gz LGJRYVKHZOKJLW-IUCAKERBSA-N 1 0 206.286 -1.629 20 0 BAADRO CCOC[C@H](O)CN(CC[NH3+])C[C@@H](O)CO ZINC000923388909 644402726 /nfs/dbraw/zinc/40/27/26/644402726.db2.gz PKNIACMFOVSTGA-NXEZZACHSA-N 1 0 236.312 -2.002 20 0 BAADRO CCOC[C@@H](O)CN(CC[NH3+])C[C@H](O)CO ZINC000923388910 644402567 /nfs/dbraw/zinc/40/25/67/644402567.db2.gz PKNIACMFOVSTGA-UWVGGRQHSA-N 1 0 236.312 -2.002 20 0 BAADRO CCOC[C@H](O)CN(CC[NH3+])C[C@H](O)CO ZINC000923388911 644401190 /nfs/dbraw/zinc/40/11/90/644401190.db2.gz PKNIACMFOVSTGA-VHSXEESVSA-N 1 0 236.312 -2.002 20 0 BAADRO CCOC[C@@H](O)CN(CC[NH3+])C[C@@H](O)CO ZINC000923388912 644401888 /nfs/dbraw/zinc/40/18/88/644401888.db2.gz PKNIACMFOVSTGA-ZJUUUORDSA-N 1 0 236.312 -2.002 20 0 BAADRO CSC[C@@H](O)CN(CC[NH3+])C[C@@H](O)CO ZINC000923389547 644402340 /nfs/dbraw/zinc/40/23/40/644402340.db2.gz SAWVOGGTEJGTBO-BDAKNGLRSA-N 1 0 238.353 -1.676 20 0 BAADRO CSC[C@H](O)CN(CC[NH3+])C[C@H](O)CO ZINC000923389556 644402042 /nfs/dbraw/zinc/40/20/42/644402042.db2.gz SAWVOGGTEJGTBO-DTWKUNHWSA-N 1 0 238.353 -1.676 20 0 BAADRO CSC[C@@H](O)CN(CC[NH3+])C[C@H](O)CO ZINC000923389557 644402931 /nfs/dbraw/zinc/40/29/31/644402931.db2.gz SAWVOGGTEJGTBO-IUCAKERBSA-N 1 0 238.353 -1.676 20 0 BAADRO CSC[C@H](O)CN(CC[NH3+])C[C@@H](O)CO ZINC000923389559 644402411 /nfs/dbraw/zinc/40/24/11/644402411.db2.gz SAWVOGGTEJGTBO-RKDXNWHRSA-N 1 0 238.353 -1.676 20 0 BAADRO [NH3+]CCN(CCO[C@@H]1CCOC1)C[C@@H](O)CO ZINC000923389574 644401474 /nfs/dbraw/zinc/40/14/74/644401474.db2.gz SFZLQZACNJCEOB-GHMZBOCLSA-N 1 0 248.323 -1.594 20 0 BAADRO [NH3+]CCN(CCO[C@H]1CCOC1)C[C@@H](O)CO ZINC000923389580 644402000 /nfs/dbraw/zinc/40/20/00/644402000.db2.gz SFZLQZACNJCEOB-MNOVXSKESA-N 1 0 248.323 -1.594 20 0 BAADRO [NH3+]CCN(CCO[C@H]1CCOC1)C[C@H](O)CO ZINC000923389581 644402860 /nfs/dbraw/zinc/40/28/60/644402860.db2.gz SFZLQZACNJCEOB-QWRGUYRKSA-N 1 0 248.323 -1.594 20 0 BAADRO [NH3+]CCN(CCO[C@@H]1CCOC1)C[C@H](O)CO ZINC000923389582 644402375 /nfs/dbraw/zinc/40/23/75/644402375.db2.gz SFZLQZACNJCEOB-WDEREUQCSA-N 1 0 248.323 -1.594 20 0 BAADRO [NH3+]CCN(C[C@H](O)CO)C[C@H](O)C(F)(F)F ZINC000923389603 644402180 /nfs/dbraw/zinc/40/21/80/644402180.db2.gz STYZTOUORMLYOS-BQBZGAKWSA-N 1 0 246.229 -1.477 20 0 BAADRO [NH3+]CCN(C[C@@H](O)C(F)(F)F)C[C@H](O)CO ZINC000923389604 644401675 /nfs/dbraw/zinc/40/16/75/644401675.db2.gz STYZTOUORMLYOS-NKWVEPMBSA-N 1 0 246.229 -1.477 20 0 BAADRO [NH3+]CCN(C[C@@H](O)CO)C[C@@H](O)C(F)(F)F ZINC000923389605 644403302 /nfs/dbraw/zinc/40/33/02/644403302.db2.gz STYZTOUORMLYOS-RNFRBKRXSA-N 1 0 246.229 -1.477 20 0 BAADRO [NH3+]CCN(C[C@@H](O)CO)C[C@H](O)C(F)(F)F ZINC000923389606 644402733 /nfs/dbraw/zinc/40/27/33/644402733.db2.gz STYZTOUORMLYOS-RQJHMYQMSA-N 1 0 246.229 -1.477 20 0 BAADRO C[C@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC(=O)N1 ZINC000923393877 644401800 /nfs/dbraw/zinc/40/18/00/644401800.db2.gz ZVIUZOUGWKTPRB-JBDRJPRFSA-N 1 0 213.281 -1.343 20 0 BAADRO C[C@@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC(=O)N1 ZINC000923393878 644402379 /nfs/dbraw/zinc/40/23/79/644402379.db2.gz ZVIUZOUGWKTPRB-XGEHTFHBSA-N 1 0 213.281 -1.343 20 0 BAADRO [NH3+]CCN1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000923433549 644426655 /nfs/dbraw/zinc/42/66/55/644426655.db2.gz GWLIZBKAQJXLNZ-UHFFFAOYSA-N 1 0 248.352 -2.136 20 0 BAADRO NC(=O)NC(=O)CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923456984 644437296 /nfs/dbraw/zinc/43/72/96/644437296.db2.gz SZWDPTUPHHWDJK-JGVFFNPUSA-N 1 0 226.280 -1.135 20 0 BAADRO CON1CC[C@H](N2CCNCC[NH2+]CC2)C1=O ZINC000923459530 644439535 /nfs/dbraw/zinc/43/95/35/644439535.db2.gz DKDOGRCVZPJJTP-JTQLQIEISA-N 1 0 242.323 -1.357 20 0 BAADRO CON1CC[C@@H](N2CCNCC[NH2+]CC2)C1=O ZINC000923459533 644439243 /nfs/dbraw/zinc/43/92/43/644439243.db2.gz DKDOGRCVZPJJTP-SNVBAGLBSA-N 1 0 242.323 -1.357 20 0 BAADRO C[C@@H](C(=O)N(C)C)N1CCNCC[NH2+]CC1 ZINC000923460932 644446751 /nfs/dbraw/zinc/44/67/51/644446751.db2.gz XYWSCRISAQQEON-JTQLQIEISA-N 1 0 228.340 -1.042 20 0 BAADRO C[C@H](C(=O)N(C)C)N1CCNCC[NH2+]CC1 ZINC000923460933 644445135 /nfs/dbraw/zinc/44/51/35/644445135.db2.gz XYWSCRISAQQEON-SNVBAGLBSA-N 1 0 228.340 -1.042 20 0 BAADRO CN(C)C(=O)CN1CCC[C@@]([NH3+])(CO)C1 ZINC000923472712 644456505 /nfs/dbraw/zinc/45/65/05/644456505.db2.gz MEPGJKPJENGFFX-JTQLQIEISA-N 1 0 215.297 -1.140 20 0 BAADRO CN(C)C(=O)CN1CCC[C@]([NH3+])(CO)C1 ZINC000923472715 644456002 /nfs/dbraw/zinc/45/60/02/644456002.db2.gz MEPGJKPJENGFFX-SNVBAGLBSA-N 1 0 215.297 -1.140 20 0 BAADRO COC(=O)CN1CCC[C@]([NH3+])(CO)C1 ZINC000923473006 644457384 /nfs/dbraw/zinc/45/73/84/644457384.db2.gz NPTHIRQZKRTUNX-SECBINFHSA-N 1 0 202.254 -1.055 20 0 BAADRO COC(=O)CN1CCC[C@@]([NH3+])(CO)C1 ZINC000923473009 644455921 /nfs/dbraw/zinc/45/59/21/644455921.db2.gz NPTHIRQZKRTUNX-VIFPVBQESA-N 1 0 202.254 -1.055 20 0 BAADRO [NH3+][C@]1(CO)CCCN(CCn2cnnn2)C1 ZINC000923473584 644451418 /nfs/dbraw/zinc/45/14/18/644451418.db2.gz NRSNGBOZDRTMHW-SECBINFHSA-N 1 0 226.284 -1.541 20 0 BAADRO [NH3+][C@@]1(CO)CCCN(CCn2cnnn2)C1 ZINC000923473585 644452052 /nfs/dbraw/zinc/45/20/52/644452052.db2.gz NRSNGBOZDRTMHW-VIFPVBQESA-N 1 0 226.284 -1.541 20 0 BAADRO CCNC(=O)CN1CCC[C@@]([NH3+])(CO)C1 ZINC000923473836 644452058 /nfs/dbraw/zinc/45/20/58/644452058.db2.gz VZSXMTPVACICBP-JTQLQIEISA-N 1 0 215.297 -1.092 20 0 BAADRO CCNC(=O)CN1CCC[C@]([NH3+])(CO)C1 ZINC000923473837 644451398 /nfs/dbraw/zinc/45/13/98/644451398.db2.gz VZSXMTPVACICBP-SNVBAGLBSA-N 1 0 215.297 -1.092 20 0 BAADRO CON1CC[C@H](N2CCC[C@]([NH3+])(CO)C2)C1=O ZINC000923474819 644454730 /nfs/dbraw/zinc/45/47/30/644454730.db2.gz VQNFZMUZWXSVKZ-GXSJLCMTSA-N 1 0 243.307 -1.066 20 0 BAADRO CON1CC[C@@H](N2CCC[C@@]([NH3+])(CO)C2)C1=O ZINC000923474820 644453617 /nfs/dbraw/zinc/45/36/17/644453617.db2.gz VQNFZMUZWXSVKZ-KOLCDFICSA-N 1 0 243.307 -1.066 20 0 BAADRO CON1CC[C@@H](N2CCC[C@]([NH3+])(CO)C2)C1=O ZINC000923474821 644454783 /nfs/dbraw/zinc/45/47/83/644454783.db2.gz VQNFZMUZWXSVKZ-MWLCHTKSSA-N 1 0 243.307 -1.066 20 0 BAADRO CON1CC[C@H](N2CCC[C@@]([NH3+])(CO)C2)C1=O ZINC000923474822 644454258 /nfs/dbraw/zinc/45/42/58/644454258.db2.gz VQNFZMUZWXSVKZ-ONGXEEELSA-N 1 0 243.307 -1.066 20 0 BAADRO COC(=O)CCNC(=O)CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000923508726 644478311 /nfs/dbraw/zinc/47/83/11/644478311.db2.gz BPNMUHKXCFIAOM-RKDXNWHRSA-N 1 0 243.307 -1.055 20 0 BAADRO C[C@@H]1CN(CC(=O)N2CCNC(=O)C2)C[C@H]1[NH3+] ZINC000923512044 644483351 /nfs/dbraw/zinc/48/33/51/644483351.db2.gz AXIWKBCEQCJPSX-RKDXNWHRSA-N 1 0 240.307 -1.776 20 0 BAADRO C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1[NH3+] ZINC000923513000 644482534 /nfs/dbraw/zinc/48/25/34/644482534.db2.gz RQLMAFHGEBLANQ-HTQZYQBOSA-N 1 0 221.326 -1.185 20 0 BAADRO CNC(=O)NC(=O)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520123 644482425 /nfs/dbraw/zinc/48/24/25/644482425.db2.gz ISXNXLYDBJXJQU-DTWKUNHWSA-N 1 0 240.307 -1.017 20 0 BAADRO C[NH2+]CCCN1CCN2[C@H](CNS2(=O)=O)C1 ZINC000923549834 644498353 /nfs/dbraw/zinc/49/83/53/644498353.db2.gz QITTVGKNDQYVBN-SECBINFHSA-N 1 0 248.352 -1.570 20 0 BAADRO C[NH2+]CCCN1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000923549836 644497738 /nfs/dbraw/zinc/49/77/38/644497738.db2.gz QITTVGKNDQYVBN-VIFPVBQESA-N 1 0 248.352 -1.570 20 0 BAADRO C[C@@H]1CNCCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923564635 644505302 /nfs/dbraw/zinc/50/53/02/644505302.db2.gz AMOLZCXJHBCBGX-SSDOTTSWSA-N 1 0 219.310 -1.418 20 0 BAADRO C[C@H]1CNCCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923564636 644505771 /nfs/dbraw/zinc/50/57/71/644505771.db2.gz AMOLZCXJHBCBGX-ZETCQYMHSA-N 1 0 219.310 -1.418 20 0 BAADRO C[C@@H]1CNCCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923567842 644504816 /nfs/dbraw/zinc/50/48/16/644504816.db2.gz VTHBIHRVAIXJNC-SECBINFHSA-N 1 0 248.352 -1.570 20 0 BAADRO C[C@H]1CNCCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923567844 644505821 /nfs/dbraw/zinc/50/58/21/644505821.db2.gz VTHBIHRVAIXJNC-VIFPVBQESA-N 1 0 248.352 -1.570 20 0 BAADRO C[C@@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CCN1 ZINC000923569312 712341083 /nfs/dbraw/zinc/34/10/83/712341083.db2.gz NMZLHKPKGMHWQJ-SECBINFHSA-N 1 0 248.352 -1.570 20 0 BAADRO C[C@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CCN1 ZINC000923569313 712341162 /nfs/dbraw/zinc/34/11/62/712341162.db2.gz NMZLHKPKGMHWQJ-VIFPVBQESA-N 1 0 248.352 -1.570 20 0 BAADRO C[C@@H]1CN(S(=O)(=O)C2C[NH2+]C2)C[C@@H](C)N1 ZINC000923570759 644507157 /nfs/dbraw/zinc/50/71/57/644507157.db2.gz WROIHOXICAPBKU-HTQZYQBOSA-N 1 0 233.337 -1.030 20 0 BAADRO C[C@@H]1CN(S(=O)(=O)C2C[NH2+]C2)C[C@H](C)N1 ZINC000923570760 644507611 /nfs/dbraw/zinc/50/76/11/644507611.db2.gz WROIHOXICAPBKU-OCAPTIKFSA-N 1 0 233.337 -1.030 20 0 BAADRO C[C@H]1CN(S(=O)(=O)C2C[NH2+]C2)C[C@H](C)N1 ZINC000923570761 644507182 /nfs/dbraw/zinc/50/71/82/644507182.db2.gz WROIHOXICAPBKU-YUMQZZPRSA-N 1 0 233.337 -1.030 20 0 BAADRO C[C@@H]1CN(S(=O)(=O)C2C[NH2+]C2)CCN1 ZINC000923571151 644508371 /nfs/dbraw/zinc/50/83/71/644508371.db2.gz ZYVLRNIVMYPWEG-SSDOTTSWSA-N 1 0 219.310 -1.418 20 0 BAADRO C[C@H]1CN(S(=O)(=O)C2C[NH2+]C2)CCN1 ZINC000923571152 644508026 /nfs/dbraw/zinc/50/80/26/644508026.db2.gz ZYVLRNIVMYPWEG-ZETCQYMHSA-N 1 0 219.310 -1.418 20 0 BAADRO C[C@H](Cn1cncn1)NS(=O)(=O)C1C[NH2+]C1 ZINC000923606759 645738573 /nfs/dbraw/zinc/73/85/73/645738573.db2.gz QBCMMJBLOTUUGY-SSDOTTSWSA-N 1 0 245.308 -1.442 20 0 BAADRO C[C@@H](Cn1cncn1)NS(=O)(=O)C1C[NH2+]C1 ZINC000923606766 645738543 /nfs/dbraw/zinc/73/85/43/645738543.db2.gz QBCMMJBLOTUUGY-ZETCQYMHSA-N 1 0 245.308 -1.442 20 0 BAADRO CC1(CNS(=O)(=O)C2C[NH2+]C2)COC1 ZINC000923608643 645740252 /nfs/dbraw/zinc/74/02/52/645740252.db2.gz ATCAVKUDQYQZHU-UHFFFAOYSA-N 1 0 220.294 -1.086 20 0 BAADRO Cc1nonc1CNS(=O)(=O)C1C[NH2+]C1 ZINC000923622185 645755613 /nfs/dbraw/zinc/75/56/13/645755613.db2.gz URGFQMZLDOLWOD-UHFFFAOYSA-N 1 0 232.265 -1.231 20 0 BAADRO COC(=O)[C@@H](C)CNS(=O)(=O)C1C[NH2+]C1 ZINC000923627750 645760423 /nfs/dbraw/zinc/76/04/23/645760423.db2.gz INMGYGOGESIITL-LURJTMIESA-N 1 0 236.293 -1.313 20 0 BAADRO COC(=O)[C@H](C)CNS(=O)(=O)C1C[NH2+]C1 ZINC000923627751 645761054 /nfs/dbraw/zinc/76/10/54/645761054.db2.gz INMGYGOGESIITL-ZCFIWIBFSA-N 1 0 236.293 -1.313 20 0 BAADRO COC(=O)[C@H](NS(=O)(=O)C1C[NH2+]C1)C1CC1 ZINC000923629211 645760370 /nfs/dbraw/zinc/76/03/70/645760370.db2.gz ZOZKTCKNXDJIGC-MRVPVSSYSA-N 1 0 248.304 -1.171 20 0 BAADRO COC(=O)[C@@H](NS(=O)(=O)C1C[NH2+]C1)C1CC1 ZINC000923629212 645760070 /nfs/dbraw/zinc/76/00/70/645760070.db2.gz ZOZKTCKNXDJIGC-QMMMGPOBSA-N 1 0 248.304 -1.171 20 0 BAADRO CNC(=O)CCCN(C)S(=O)(=O)C1C[NH2+]C1 ZINC000923629511 645761210 /nfs/dbraw/zinc/76/12/10/645761210.db2.gz APODEMZSLIGAGA-UHFFFAOYSA-N 1 0 249.336 -1.254 20 0 BAADRO CNC(=O)[C@H](NS(=O)(=O)C1C[NH2+]C1)C(C)C ZINC000923629879 645761852 /nfs/dbraw/zinc/76/18/52/645761852.db2.gz JRDLGKDCRPEHIA-MRVPVSSYSA-N 1 0 249.336 -1.352 20 0 BAADRO CNC(=O)[C@@H](NS(=O)(=O)C1C[NH2+]C1)C(C)C ZINC000923629880 645762006 /nfs/dbraw/zinc/76/20/06/645762006.db2.gz JRDLGKDCRPEHIA-QMMMGPOBSA-N 1 0 249.336 -1.352 20 0 BAADRO [NH3+]CC[C@H]([N-]S(=O)(=O)C1C[NH2+]C1)C(F)F ZINC000923641860 645780619 /nfs/dbraw/zinc/78/06/19/645780619.db2.gz PKVDSSWYOWCVHZ-LURJTMIESA-N 1 0 243.279 -1.140 20 0 BAADRO [NH3+]CC[C@@H]([N-]S(=O)(=O)C1C[NH2+]C1)C(F)F ZINC000923641861 645780520 /nfs/dbraw/zinc/78/05/20/645780520.db2.gz PKVDSSWYOWCVHZ-ZCFIWIBFSA-N 1 0 243.279 -1.140 20 0 BAADRO CC1(C)CN(S(=O)(=O)C2C[NH2+]C2)CCN1 ZINC000923654757 645789599 /nfs/dbraw/zinc/78/95/99/645789599.db2.gz CPZWWCHRDFPMOL-UHFFFAOYSA-N 1 0 233.337 -1.028 20 0 BAADRO CC(=O)N1CC[C@@H](NS(=O)(=O)C2C[NH2+]C2)C1 ZINC000923659670 645798955 /nfs/dbraw/zinc/79/89/55/645798955.db2.gz PKLPZMUYSAMJKI-MRVPVSSYSA-N 1 0 247.320 -1.502 20 0 BAADRO CCn1ncc(CNS(=O)(=O)C2C[NH2+]C2)n1 ZINC000923659779 645798763 /nfs/dbraw/zinc/79/87/63/645798763.db2.gz NUNRGTDASLALLA-UHFFFAOYSA-N 1 0 245.308 -1.311 20 0 BAADRO CCn1nncc1CNS(=O)(=O)C1C[NH2+]C1 ZINC000923660123 645798753 /nfs/dbraw/zinc/79/87/53/645798753.db2.gz RGTHQCHITWPBLF-UHFFFAOYSA-N 1 0 245.308 -1.311 20 0 BAADRO O=S(=O)(NC[C@@H]1COCCN1)C1C[NH2+]C1 ZINC000923662388 645807706 /nfs/dbraw/zinc/80/77/06/645807706.db2.gz KHMPKNMGKADYSW-SSDOTTSWSA-N 1 0 235.309 -2.134 20 0 BAADRO O=S(=O)(NC[C@H]1COCCN1)C1C[NH2+]C1 ZINC000923662389 645807826 /nfs/dbraw/zinc/80/78/26/645807826.db2.gz KHMPKNMGKADYSW-ZETCQYMHSA-N 1 0 235.309 -2.134 20 0 BAADRO O=S(=O)(C1C[NH2+]C1)N1CC[C@@H](O)[C@@H](O)C1 ZINC000923665118 645809565 /nfs/dbraw/zinc/80/95/65/645809565.db2.gz BTFZWEXPSGOFST-SFYZADRCSA-N 1 0 236.293 -2.285 20 0 BAADRO O=S(=O)(N1C[C@@H]2C[C@H]1C[NH2+]2)N1CCNCC1 ZINC000923666663 645810763 /nfs/dbraw/zinc/81/07/63/645810763.db2.gz QBLGYIQRWISHME-IUCAKERBSA-N 1 0 246.336 -1.818 20 0 BAADRO O=C1NCCN1CCNS(=O)(=O)C1C[NH2+]C1 ZINC000923674668 645817364 /nfs/dbraw/zinc/81/73/64/645817364.db2.gz UBYZMHIUVWXXAF-UHFFFAOYSA-N 1 0 248.308 -2.097 20 0 BAADRO CCNS(=O)(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000923696203 645945030 /nfs/dbraw/zinc/94/50/30/645945030.db2.gz VFARFDTZCCODRW-MRVPVSSYSA-N 1 0 237.325 -1.374 20 0 BAADRO CCNS(=O)(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000923696204 645945161 /nfs/dbraw/zinc/94/51/61/645945161.db2.gz VFARFDTZCCODRW-QMMMGPOBSA-N 1 0 237.325 -1.374 20 0 BAADRO O=S(=O)(N[C@@H]1CNOC1)[C@@H]1CCC[NH2+]C1 ZINC000923724123 645953787 /nfs/dbraw/zinc/95/37/87/645953787.db2.gz DBJTYBNIDQAVDI-HTQZYQBOSA-N 1 0 235.309 -1.439 20 0 BAADRO O=S(=O)(N[C@@H]1CNOC1)[C@H]1CCC[NH2+]C1 ZINC000923724125 645954247 /nfs/dbraw/zinc/95/42/47/645954247.db2.gz DBJTYBNIDQAVDI-SFYZADRCSA-N 1 0 235.309 -1.439 20 0 BAADRO O=S(=O)(N[C@@H]1CNOC1)C1C[NH2+]C1 ZINC000923726248 645954415 /nfs/dbraw/zinc/95/44/15/645954415.db2.gz WBQQNBNLAUNFAB-RXMQYKEDSA-N 1 0 207.255 -2.219 20 0 BAADRO C[NH+](C)CCCS(=O)(=O)N[C@@H]1CNOC1 ZINC000923726784 645953960 /nfs/dbraw/zinc/95/39/60/645953960.db2.gz ZZTVSXYZUIXLGW-MRVPVSSYSA-N 1 0 237.325 -1.239 20 0 BAADRO O=S(=O)(N[C@H]1CNOC1)N1CC[NH2+]CC1 ZINC000923727928 645956044 /nfs/dbraw/zinc/95/60/44/645956044.db2.gz KOBWTTASEWBYGH-ZETCQYMHSA-N 1 0 236.297 -2.371 20 0 BAADRO O=S(=O)(N[C@H]1CNOC1)[C@@H]1CCC[NH2+]C1 ZINC000923728175 645955810 /nfs/dbraw/zinc/95/58/10/645955810.db2.gz DBJTYBNIDQAVDI-JGVFFNPUSA-N 1 0 235.309 -1.439 20 0 BAADRO O=S(=O)(N[C@H]1CNOC1)[C@H]1CCC[NH2+]C1 ZINC000923728177 645955180 /nfs/dbraw/zinc/95/51/80/645955180.db2.gz DBJTYBNIDQAVDI-YUMQZZPRSA-N 1 0 235.309 -1.439 20 0 BAADRO C[NH+](C)CCCS(=O)(=O)N[C@H]1CNOC1 ZINC000923731985 645955239 /nfs/dbraw/zinc/95/52/39/645955239.db2.gz ZZTVSXYZUIXLGW-QMMMGPOBSA-N 1 0 237.325 -1.239 20 0 BAADRO O=S(=O)(N[C@H]1CNOC1)C1C[NH2+]C1 ZINC000923733215 645957898 /nfs/dbraw/zinc/95/78/98/645957898.db2.gz WBQQNBNLAUNFAB-YFKPBYRVSA-N 1 0 207.255 -2.219 20 0 BAADRO COC(=O)[C@@H]1CC[C@@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC000923746429 635689496 /nfs/dbraw/zinc/68/94/96/635689496.db2.gz MZEFJWZVUIDAMF-SFYZADRCSA-N 1 0 248.304 -1.171 20 0 BAADRO CC1(C)CNC(=O)[C@H]1[NH2+]CCNS(C)(=O)=O ZINC000924806524 646112732 /nfs/dbraw/zinc/11/27/32/646112732.db2.gz CSZRCCWQKCCVCQ-SSDOTTSWSA-N 1 0 249.336 -1.350 20 0 BAADRO CC1(C)CNC(=O)[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC000924806528 646113406 /nfs/dbraw/zinc/11/34/06/646113406.db2.gz CSZRCCWQKCCVCQ-ZETCQYMHSA-N 1 0 249.336 -1.350 20 0 BAADRO CN(C)C(=O)CN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924839135 646115592 /nfs/dbraw/zinc/11/55/92/646115592.db2.gz KCWLBSWPNRETSR-SSDOTTSWSA-N 1 0 242.279 -1.443 20 0 BAADRO CN(C)C(=O)CN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924839136 646115061 /nfs/dbraw/zinc/11/50/61/646115061.db2.gz KCWLBSWPNRETSR-ZETCQYMHSA-N 1 0 242.279 -1.443 20 0 BAADRO C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)[C@H]1CC(=O)N1 ZINC000924977382 646146109 /nfs/dbraw/zinc/14/61/09/646146109.db2.gz DGIJSJXCYLEAFW-BWZBUEFSSA-N 1 0 227.264 -1.944 20 0 BAADRO C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)[C@@H]1CC(=O)N1 ZINC000924977389 646147496 /nfs/dbraw/zinc/14/74/96/646147496.db2.gz DGIJSJXCYLEAFW-PRJMDXOYSA-N 1 0 227.264 -1.944 20 0 BAADRO C[N@@H+]1C[C@H](O)C[C@H]1CNC(=O)[C@@H]1CC(=O)N1 ZINC000924977391 646145916 /nfs/dbraw/zinc/14/59/16/646145916.db2.gz DGIJSJXCYLEAFW-RNJXMRFFSA-N 1 0 227.264 -1.944 20 0 BAADRO C[N@@H+]1C[C@H](O)C[C@H]1CNC(=O)[C@H]1CC(=O)N1 ZINC000924977392 646146603 /nfs/dbraw/zinc/14/66/03/646146603.db2.gz DGIJSJXCYLEAFW-XLPZGREQSA-N 1 0 227.264 -1.944 20 0 BAADRO C[N@@H+]1C[C@@H](O)C[C@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC000924977560 635821380 /nfs/dbraw/zinc/82/13/80/635821380.db2.gz RFRCFWBYYPFBNW-BIIVOSGPSA-N 1 0 243.263 -1.724 20 0 BAADRO C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC000924977567 635821352 /nfs/dbraw/zinc/82/13/52/635821352.db2.gz RFRCFWBYYPFBNW-BWZBUEFSSA-N 1 0 243.263 -1.724 20 0 BAADRO C[N@@H+]1C[C@@H](O)C[C@@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC000924977569 635820976 /nfs/dbraw/zinc/82/09/76/635820976.db2.gz RFRCFWBYYPFBNW-GJMOJQLCSA-N 1 0 243.263 -1.724 20 0 BAADRO C[N@@H+]1C[C@H](O)C[C@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC000924977571 635820454 /nfs/dbraw/zinc/82/04/54/635820454.db2.gz RFRCFWBYYPFBNW-XLPZGREQSA-N 1 0 243.263 -1.724 20 0 BAADRO C[N@@H+]1C[C@H](O)C[C@H]1CNC(=O)[C@@H](O)C1CC1 ZINC000924978342 635820842 /nfs/dbraw/zinc/82/08/42/635820842.db2.gz AFUMUNDCZCQWEY-AEJSXWLSSA-N 1 0 228.292 -1.062 20 0 BAADRO C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)[C@@H](O)C1CC1 ZINC000924978352 635821232 /nfs/dbraw/zinc/82/12/32/635821232.db2.gz AFUMUNDCZCQWEY-BBBLOLIVSA-N 1 0 228.292 -1.062 20 0 BAADRO C[N@@H+]1C[C@H](O)C[C@H]1CNC(=O)[C@H](O)C1CC1 ZINC000924978355 635821419 /nfs/dbraw/zinc/82/14/19/635821419.db2.gz AFUMUNDCZCQWEY-IVZWLZJFSA-N 1 0 228.292 -1.062 20 0 BAADRO C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)[C@H](O)C1CC1 ZINC000924978360 635821364 /nfs/dbraw/zinc/82/13/64/635821364.db2.gz AFUMUNDCZCQWEY-OPRDCNLKSA-N 1 0 228.292 -1.062 20 0 BAADRO C[N@@H+]1C[C@@H](O)C[C@@H]1CNC(=O)CC1OCCO1 ZINC000924980694 646149283 /nfs/dbraw/zinc/14/92/83/646149283.db2.gz HVNGQLZZGLBVCY-BDAKNGLRSA-N 1 0 244.291 -1.069 20 0 BAADRO C[N@@H+]1C[C@H](O)C[C@H]1CNC(=O)CC1OCCO1 ZINC000924980707 646148884 /nfs/dbraw/zinc/14/88/84/646148884.db2.gz HVNGQLZZGLBVCY-DTWKUNHWSA-N 1 0 244.291 -1.069 20 0 BAADRO C[N@@H+]1C[C@@H](O)C[C@H]1CNC(=O)CC1OCCO1 ZINC000924980709 646149574 /nfs/dbraw/zinc/14/95/74/646149574.db2.gz HVNGQLZZGLBVCY-IUCAKERBSA-N 1 0 244.291 -1.069 20 0 BAADRO C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)CC1OCCO1 ZINC000924980712 646149821 /nfs/dbraw/zinc/14/98/21/646149821.db2.gz HVNGQLZZGLBVCY-RKDXNWHRSA-N 1 0 244.291 -1.069 20 0 BAADRO C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)C(C)(C)O ZINC000924981762 646150134 /nfs/dbraw/zinc/15/01/34/646150134.db2.gz MENQAJJXHCHSJC-HTQZYQBOSA-N 1 0 216.281 -1.062 20 0 BAADRO C[N@@H+]1C[C@H](O)C[C@H]1CNC(=O)C(C)(C)O ZINC000924981766 646150519 /nfs/dbraw/zinc/15/05/19/646150519.db2.gz MENQAJJXHCHSJC-JGVFFNPUSA-N 1 0 216.281 -1.062 20 0 BAADRO C[N@@H+]1C[C@@H](O)C[C@@H]1CNC(=O)C(C)(C)O ZINC000924981769 646149094 /nfs/dbraw/zinc/14/90/94/646149094.db2.gz MENQAJJXHCHSJC-SFYZADRCSA-N 1 0 216.281 -1.062 20 0 BAADRO C[N@@H+]1C[C@@H](O)C[C@H]1CNC(=O)C(C)(C)O ZINC000924981771 646150275 /nfs/dbraw/zinc/15/02/75/646150275.db2.gz MENQAJJXHCHSJC-YUMQZZPRSA-N 1 0 216.281 -1.062 20 0 BAADRO C[C@H](O)C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1C ZINC000924982789 646149388 /nfs/dbraw/zinc/14/93/88/646149388.db2.gz XUVBXBJIQUNSMH-BIIVOSGPSA-N 1 0 202.254 -1.452 20 0 BAADRO C[C@@H](O)C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1C ZINC000924982790 646149461 /nfs/dbraw/zinc/14/94/61/646149461.db2.gz XUVBXBJIQUNSMH-BWZBUEFSSA-N 1 0 202.254 -1.452 20 0 BAADRO C[C@@H](O)C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1C ZINC000924982791 646150630 /nfs/dbraw/zinc/15/06/30/646150630.db2.gz XUVBXBJIQUNSMH-CSMHCCOUSA-N 1 0 202.254 -1.452 20 0 BAADRO C[C@H](O)C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1C ZINC000924982792 646150101 /nfs/dbraw/zinc/15/01/01/646150101.db2.gz XUVBXBJIQUNSMH-FXQIFTODSA-N 1 0 202.254 -1.452 20 0 BAADRO C[C@@H](O)C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1C ZINC000924982793 646148951 /nfs/dbraw/zinc/14/89/51/646148951.db2.gz XUVBXBJIQUNSMH-GJMOJQLCSA-N 1 0 202.254 -1.452 20 0 BAADRO C[C@@H](O)C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1C ZINC000924982794 646149209 /nfs/dbraw/zinc/14/92/09/646149209.db2.gz XUVBXBJIQUNSMH-PRJMDXOYSA-N 1 0 202.254 -1.452 20 0 BAADRO C[C@H](O)C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1C ZINC000924982795 646149912 /nfs/dbraw/zinc/14/99/12/646149912.db2.gz XUVBXBJIQUNSMH-RNJXMRFFSA-N 1 0 202.254 -1.452 20 0 BAADRO C[C@H](O)C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1C ZINC000924982796 646150551 /nfs/dbraw/zinc/15/05/51/646150551.db2.gz XUVBXBJIQUNSMH-XLPZGREQSA-N 1 0 202.254 -1.452 20 0 BAADRO COC[C@](C)(O)C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1C ZINC000924987167 646150109 /nfs/dbraw/zinc/15/01/09/646150109.db2.gz MDIIFNMRZLDPTO-KKZNHRDASA-N 1 0 246.307 -1.435 20 0 BAADRO COC[C@](C)(O)C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1C ZINC000924987168 646149520 /nfs/dbraw/zinc/14/95/20/646149520.db2.gz MDIIFNMRZLDPTO-NGZCFLSTSA-N 1 0 246.307 -1.435 20 0 BAADRO COC[C@](C)(O)C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1C ZINC000924987169 646150466 /nfs/dbraw/zinc/15/04/66/646150466.db2.gz MDIIFNMRZLDPTO-QXEWZRGKSA-N 1 0 246.307 -1.435 20 0 BAADRO COC[C@](C)(O)C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1C ZINC000924987170 646150322 /nfs/dbraw/zinc/15/03/22/646150322.db2.gz MDIIFNMRZLDPTO-YWVKMMECSA-N 1 0 246.307 -1.435 20 0 BAADRO C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000924991486 646151904 /nfs/dbraw/zinc/15/19/04/646151904.db2.gz JSZHLGYLNSKCEY-LURQLKTLSA-N 1 0 241.291 -1.711 20 0 BAADRO C[N@@H+]1C[C@@H](O)C[C@@H]1CNC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000924991490 646152557 /nfs/dbraw/zinc/15/25/57/646152557.db2.gz JSZHLGYLNSKCEY-RYPBNFRJSA-N 1 0 241.291 -1.711 20 0 BAADRO C[N@@H+]1C[C@H](O)C[C@H]1CNC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000924991500 646152986 /nfs/dbraw/zinc/15/29/86/646152986.db2.gz JSZHLGYLNSKCEY-UYXSQOIJSA-N 1 0 241.291 -1.711 20 0 BAADRO C[N@@H+]1C[C@@H](O)C[C@H]1CNC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000924991501 646152003 /nfs/dbraw/zinc/15/20/03/646152003.db2.gz JSZHLGYLNSKCEY-XSPKLOCKSA-N 1 0 241.291 -1.711 20 0 BAADRO COC(=O)CC(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1C ZINC000924992221 646152110 /nfs/dbraw/zinc/15/21/10/646152110.db2.gz UERGDUGCNCGKSW-HTQZYQBOSA-N 1 0 230.264 -1.269 20 0 BAADRO COC(=O)CC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1C ZINC000924992222 646151580 /nfs/dbraw/zinc/15/15/80/646151580.db2.gz UERGDUGCNCGKSW-JGVFFNPUSA-N 1 0 230.264 -1.269 20 0 BAADRO COC(=O)CC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1C ZINC000924992225 646151511 /nfs/dbraw/zinc/15/15/11/646151511.db2.gz UERGDUGCNCGKSW-SFYZADRCSA-N 1 0 230.264 -1.269 20 0 BAADRO COC(=O)CC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1C ZINC000924992226 646152078 /nfs/dbraw/zinc/15/20/78/646152078.db2.gz UERGDUGCNCGKSW-YUMQZZPRSA-N 1 0 230.264 -1.269 20 0 BAADRO C[N@H+](CCO)CCNC(=O)[C@]1(C)CCNC1=O ZINC000924997971 711768126 /nfs/dbraw/zinc/76/81/26/711768126.db2.gz DCFAHFINOQWLQU-LLVKDONJSA-N 1 0 243.307 -1.447 20 0 BAADRO C[N@H+](CCO)CCNC(=O)[C@@]1(C)CCNC1=O ZINC000924997975 711768011 /nfs/dbraw/zinc/76/80/11/711768011.db2.gz DCFAHFINOQWLQU-NSHDSACASA-N 1 0 243.307 -1.447 20 0 BAADRO C[N@H+](CCO)CCNC(=O)[C@H]1COC(=O)N1 ZINC000924997998 711768017 /nfs/dbraw/zinc/76/80/17/711768017.db2.gz IZWFYQZPHBJPGR-SSDOTTSWSA-N 1 0 231.252 -1.865 20 0 BAADRO C[N@H+](CCO)CCNC(=O)[C@]1(O)CCSC1 ZINC000924998400 646155664 /nfs/dbraw/zinc/15/56/64/646155664.db2.gz DMWGLZSASXQFEZ-JTQLQIEISA-N 1 0 248.348 -1.105 20 0 BAADRO C[N@H+](CCO)CCNC(=O)[C@@]1(O)CCSC1 ZINC000924998403 646155023 /nfs/dbraw/zinc/15/50/23/646155023.db2.gz DMWGLZSASXQFEZ-SNVBAGLBSA-N 1 0 248.348 -1.105 20 0 BAADRO C[N@H+](CCO)CCNC(=O)[C@H]1CCCC(=O)N1 ZINC000924998997 646153928 /nfs/dbraw/zinc/15/39/28/646153928.db2.gz LKKGDTGXDZTYLZ-SECBINFHSA-N 1 0 243.307 -1.305 20 0 BAADRO C[N@H+](CCO)CCNC(=O)CN1CCOC1=O ZINC000924999201 646155794 /nfs/dbraw/zinc/15/57/94/646155794.db2.gz KHQSZJUABCQQKT-UHFFFAOYSA-N 1 0 245.279 -1.521 20 0 BAADRO C=CC(=O)NCCC(=O)NCC[N@H+](C)CCO ZINC000924999536 635836931 /nfs/dbraw/zinc/83/69/31/635836931.db2.gz JRQXFRVZMCLBHN-UHFFFAOYSA-N 1 0 243.307 -1.281 20 0 BAADRO C[N@H+](CCO)CCNC(=O)[C@H](O)C1CC1 ZINC000924999830 646155426 /nfs/dbraw/zinc/15/54/26/646155426.db2.gz QQICNNFACYSZHM-SECBINFHSA-N 1 0 216.281 -1.202 20 0 BAADRO C[N@H+](CCO)CCNC(=O)[C@@H](O)C1CC1 ZINC000924999834 646155539 /nfs/dbraw/zinc/15/55/39/646155539.db2.gz QQICNNFACYSZHM-VIFPVBQESA-N 1 0 216.281 -1.202 20 0 BAADRO C[N@H+](CCO)CCNC(=O)C1(O)CCC1 ZINC000925000140 646154273 /nfs/dbraw/zinc/15/42/73/646154273.db2.gz SETGVLDQHLNEAX-UHFFFAOYSA-N 1 0 216.281 -1.058 20 0 BAADRO C[N@H+](CCO)CCNC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000925000590 646154196 /nfs/dbraw/zinc/15/41/96/646154196.db2.gz OUZGOCDBGTZUPA-JGVFFNPUSA-N 1 0 229.280 -1.852 20 0 BAADRO C[N@H+](CCO)CCNC(=O)C(=O)NCC1CC1 ZINC000925000771 635838480 /nfs/dbraw/zinc/83/84/80/635838480.db2.gz LGUBRFTWRITBIC-UHFFFAOYSA-N 1 0 243.307 -1.447 20 0 BAADRO COC(=O)C1(C(=O)NCC[N@H+](C)CCO)CC1 ZINC000925001013 646155311 /nfs/dbraw/zinc/15/53/11/646155311.db2.gz MRGVROGDXNDWCH-UHFFFAOYSA-N 1 0 244.291 -1.020 20 0 BAADRO C[N@H+](CCO)CCNC(=O)C(C)(C)O ZINC000925002012 646152775 /nfs/dbraw/zinc/15/27/75/646152775.db2.gz QCSZEJVKPHLDLF-UHFFFAOYSA-N 1 0 204.270 -1.202 20 0 BAADRO C[N@H+](CCO)CCNC(=O)[C@@H](O)C(C)(C)O ZINC000925003036 646155828 /nfs/dbraw/zinc/15/58/28/646155828.db2.gz MIUHHYYBZYDZNC-MRVPVSSYSA-N 1 0 234.296 -1.842 20 0 BAADRO C[N@H+](CCO)CCNC(=O)[C@H](O)C(C)(C)O ZINC000925003044 646153946 /nfs/dbraw/zinc/15/39/46/646153946.db2.gz MIUHHYYBZYDZNC-QMMMGPOBSA-N 1 0 234.296 -1.842 20 0 BAADRO C[N@H+](CCO)CCNC(=O)CC1OCCO1 ZINC000925003281 646154394 /nfs/dbraw/zinc/15/43/94/646154394.db2.gz WOTRABFCTMQPJO-UHFFFAOYSA-N 1 0 232.280 -1.210 20 0 BAADRO C[N@H+](CCO)CCNC(=O)[C@H]1CC(=O)N1 ZINC000925003628 646154339 /nfs/dbraw/zinc/15/43/39/646154339.db2.gz FFYOXPKLPHOCDU-SSDOTTSWSA-N 1 0 215.253 -2.085 20 0 BAADRO C[N@H+](CCO)CCNC(=O)[C@@H]1CC(=O)N1 ZINC000925003636 646154804 /nfs/dbraw/zinc/15/48/04/646154804.db2.gz FFYOXPKLPHOCDU-ZETCQYMHSA-N 1 0 215.253 -2.085 20 0 BAADRO C[C@H]1OC(=O)N[C@H]1C(=O)NCC[N@H+](C)CCO ZINC000925003735 635840612 /nfs/dbraw/zinc/84/06/12/635840612.db2.gz YKZCOVNLDUCLPV-HTQZYQBOSA-N 1 0 245.279 -1.476 20 0 BAADRO C[C@@H]1OC(=O)N[C@H]1C(=O)NCC[N@H+](C)CCO ZINC000925003736 635840658 /nfs/dbraw/zinc/84/06/58/635840658.db2.gz YKZCOVNLDUCLPV-JGVFFNPUSA-N 1 0 245.279 -1.476 20 0 BAADRO C[C@H]1OC(=O)N[C@@H]1C(=O)NCC[N@H+](C)CCO ZINC000925003737 635840726 /nfs/dbraw/zinc/84/07/26/635840726.db2.gz YKZCOVNLDUCLPV-SFYZADRCSA-N 1 0 245.279 -1.476 20 0 BAADRO C[C@@H]1OC(=O)N[C@@H]1C(=O)NCC[N@H+](C)CCO ZINC000925003738 635840629 /nfs/dbraw/zinc/84/06/29/635840629.db2.gz YKZCOVNLDUCLPV-YUMQZZPRSA-N 1 0 245.279 -1.476 20 0 BAADRO C/C=C/[C@@H](O)C(=O)NCC[N@H+](C)CCO ZINC000925004214 646155141 /nfs/dbraw/zinc/15/51/41/646155141.db2.gz QYJLSEXEINGFNL-CDAZIORVSA-N 1 0 216.281 -1.036 20 0 BAADRO C/C=C/[C@H](O)C(=O)NCC[N@H+](C)CCO ZINC000925004217 646155739 /nfs/dbraw/zinc/15/57/39/646155739.db2.gz QYJLSEXEINGFNL-NWALNABHSA-N 1 0 216.281 -1.036 20 0 BAADRO C/C=C\[C@H](O)C(=O)NCC[N@H+](C)CCO ZINC000925004218 646153860 /nfs/dbraw/zinc/15/38/60/646153860.db2.gz QYJLSEXEINGFNL-TYRPZCRBSA-N 1 0 216.281 -1.036 20 0 BAADRO C/C=C\[C@@H](O)C(=O)NCC[N@H+](C)CCO ZINC000925004220 646153907 /nfs/dbraw/zinc/15/39/07/646153907.db2.gz QYJLSEXEINGFNL-ZBJFTSOASA-N 1 0 216.281 -1.036 20 0 BAADRO C[N@H+](CCO)CCNC(=O)[C@H]1CCOC(=O)N1 ZINC000925004990 635841119 /nfs/dbraw/zinc/84/11/19/635841119.db2.gz MFNWBECCOXYRBN-MRVPVSSYSA-N 1 0 245.279 -1.475 20 0 BAADRO C[N@H+](CCO)CCNC(=O)[C@@H]1CCOC(=O)N1 ZINC000925004991 635841767 /nfs/dbraw/zinc/84/17/67/635841767.db2.gz MFNWBECCOXYRBN-QMMMGPOBSA-N 1 0 245.279 -1.475 20 0 BAADRO C[N@H+](CCO)CCNC(=O)[C@@H]1CCCN1C=O ZINC000925006238 711768350 /nfs/dbraw/zinc/76/83/50/711768350.db2.gz WHAHJPJEUKAMSZ-JTQLQIEISA-N 1 0 243.307 -1.353 20 0 BAADRO C[N@H+](CCO)CCNC(=O)[C@H]1CCCN1C=O ZINC000925006239 711768353 /nfs/dbraw/zinc/76/83/53/711768353.db2.gz WHAHJPJEUKAMSZ-SNVBAGLBSA-N 1 0 243.307 -1.353 20 0 BAADRO CN1C[C@H](C(=O)NCC[N@H+](C)CCO)NC1=O ZINC000925006240 711768317 /nfs/dbraw/zinc/76/83/17/711768317.db2.gz WHQGFVLSIYZNOU-MRVPVSSYSA-N 1 0 244.295 -1.950 20 0 BAADRO CN1C[C@@H](C(=O)NCC[N@H+](C)CCO)NC1=O ZINC000925006241 711768320 /nfs/dbraw/zinc/76/83/20/711768320.db2.gz WHQGFVLSIYZNOU-QMMMGPOBSA-N 1 0 244.295 -1.950 20 0 BAADRO C[N@H+](CCO)CCNC(=O)[C@H]1CSC(=O)N1 ZINC000925007436 635844734 /nfs/dbraw/zinc/84/47/34/635844734.db2.gz IQGIUFAVQNXVJP-SSDOTTSWSA-N 1 0 247.320 -1.148 20 0 BAADRO C[N@H+](CCO)CCNC(=O)[C@@H]1CSC(=O)N1 ZINC000925007437 635844299 /nfs/dbraw/zinc/84/42/99/635844299.db2.gz IQGIUFAVQNXVJP-ZETCQYMHSA-N 1 0 247.320 -1.148 20 0 BAADRO COC(=O)CC(=O)NCC[N@H+](C)CCO ZINC000925007942 635845302 /nfs/dbraw/zinc/84/53/02/635845302.db2.gz NMCIVXPIZVIKLP-UHFFFAOYSA-N 1 0 218.253 -1.410 20 0 BAADRO C[N@H+](CCO)CCNC(=O)C1(C(N)=O)CCC1 ZINC000925012726 646157382 /nfs/dbraw/zinc/15/73/82/646157382.db2.gz RNNHBNLVIVZJBN-UHFFFAOYSA-N 1 0 243.307 -1.318 20 0 BAADRO C[N@H+](CCO)CCNC(=O)Cn1cnnn1 ZINC000925013846 646158634 /nfs/dbraw/zinc/15/86/34/646158634.db2.gz HPBHNELIPGLWND-UHFFFAOYSA-N 1 0 228.256 -2.287 20 0 BAADRO CC(=O)NC(C)(C)C(=O)NCC[N@H+](C)CCO ZINC000925015238 635849537 /nfs/dbraw/zinc/84/95/37/635849537.db2.gz JHTZKDXUELPVQW-UHFFFAOYSA-N 1 0 245.323 -1.059 20 0 BAADRO C[C@@H]1[C@@H](NC(=O)NC(CO)CO)CC[N@@H+]1C ZINC000925325044 646239214 /nfs/dbraw/zinc/23/92/14/646239214.db2.gz PDKBDRFGVNYFTA-APPZFPTMSA-N 1 0 231.296 -1.269 20 0 BAADRO C[C@H]1[C@@H](NC(=O)NC(CO)CO)CC[N@@H+]1C ZINC000925325045 646241388 /nfs/dbraw/zinc/24/13/88/646241388.db2.gz PDKBDRFGVNYFTA-CBAPKCEASA-N 1 0 231.296 -1.269 20 0 BAADRO C[C@H]1[C@H](NC(=O)NC(CO)CO)CC[N@@H+]1C ZINC000925325046 646240705 /nfs/dbraw/zinc/24/07/05/646240705.db2.gz PDKBDRFGVNYFTA-IONNQARKSA-N 1 0 231.296 -1.269 20 0 BAADRO C[C@@H]1[C@H](NC(=O)NC(CO)CO)CC[N@@H+]1C ZINC000925325048 646241011 /nfs/dbraw/zinc/24/10/11/646241011.db2.gz PDKBDRFGVNYFTA-VXNVDRBHSA-N 1 0 231.296 -1.269 20 0 BAADRO C[N@@H+]1CC[C@@H]1CNC(=O)N1CCNC(=O)C1 ZINC000925404126 646263293 /nfs/dbraw/zinc/26/32/93/646263293.db2.gz QFRVVHCYKFRFLV-MRVPVSSYSA-N 1 0 226.280 -1.168 20 0 BAADRO C[N@@H+]1CC[C@H]1CNC(=O)N1CCNC(=O)C1 ZINC000925404127 646264418 /nfs/dbraw/zinc/26/44/18/646264418.db2.gz QFRVVHCYKFRFLV-QMMMGPOBSA-N 1 0 226.280 -1.168 20 0 BAADRO C[N@@H+]1CC[C@@H]1CNC(=O)NC(CO)CO ZINC000925412149 641709930 /nfs/dbraw/zinc/70/99/30/641709930.db2.gz SYRAFEBLNBULCQ-MRVPVSSYSA-N 1 0 217.269 -1.657 20 0 BAADRO C[N@@H+]1CC[C@H]1CNC(=O)NC(CO)CO ZINC000925412152 641709235 /nfs/dbraw/zinc/70/92/35/641709235.db2.gz SYRAFEBLNBULCQ-QMMMGPOBSA-N 1 0 217.269 -1.657 20 0 BAADRO COC[C@@H](CO)NC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925416792 646267245 /nfs/dbraw/zinc/26/72/45/646267245.db2.gz MCSJLJVLKPUSRI-BDAKNGLRSA-N 1 0 231.296 -1.003 20 0 BAADRO COC[C@H](CO)NC(=O)NC[C@H]1CC[N@@H+]1C ZINC000925416794 646269504 /nfs/dbraw/zinc/26/95/04/646269504.db2.gz MCSJLJVLKPUSRI-DTWKUNHWSA-N 1 0 231.296 -1.003 20 0 BAADRO COC[C@H](CO)NC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925416795 646267623 /nfs/dbraw/zinc/26/76/23/646267623.db2.gz MCSJLJVLKPUSRI-IUCAKERBSA-N 1 0 231.296 -1.003 20 0 BAADRO COC[C@@H](CO)NC(=O)NC[C@H]1CC[N@@H+]1C ZINC000925416796 646266424 /nfs/dbraw/zinc/26/64/24/646266424.db2.gz MCSJLJVLKPUSRI-RKDXNWHRSA-N 1 0 231.296 -1.003 20 0 BAADRO C[N@@H+]1CC[C@H]1CNC(=O)N1C[C@@H](O)C[C@H]1CO ZINC000925417476 646273175 /nfs/dbraw/zinc/27/31/75/646273175.db2.gz MWPJFHUZYBRJHU-GUBZILKMSA-N 1 0 243.307 -1.172 20 0 BAADRO C[N@@H+]1CC[C@@H]1CNC(=O)N1C[C@H](O)C[C@H]1CO ZINC000925417478 646273040 /nfs/dbraw/zinc/27/30/40/646273040.db2.gz MWPJFHUZYBRJHU-KXUCPTDWSA-N 1 0 243.307 -1.172 20 0 BAADRO C[N@@H+]1CC[C@H]1CNC(=O)N1C[C@H](O)C[C@H]1CO ZINC000925417479 646270491 /nfs/dbraw/zinc/27/04/91/646270491.db2.gz MWPJFHUZYBRJHU-LPEHRKFASA-N 1 0 243.307 -1.172 20 0 BAADRO C[N@@H+]1CC[C@@H]1CNC(=O)N1C[C@@H](O)C[C@H]1CO ZINC000925417480 646271907 /nfs/dbraw/zinc/27/19/07/646271907.db2.gz MWPJFHUZYBRJHU-UTLUCORTSA-N 1 0 243.307 -1.172 20 0 BAADRO COC[C@@H](O)CNC(=O)NC[C@H]1CC[N@@H+]1C ZINC000925421107 646270911 /nfs/dbraw/zinc/27/09/11/646270911.db2.gz ARMZTLQVYQMZHH-BDAKNGLRSA-N 1 0 231.296 -1.003 20 0 BAADRO COC[C@H](O)CNC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925421111 646259004 /nfs/dbraw/zinc/25/90/04/646259004.db2.gz ARMZTLQVYQMZHH-DTWKUNHWSA-N 1 0 231.296 -1.003 20 0 BAADRO COC[C@@H](O)CNC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925421115 646258273 /nfs/dbraw/zinc/25/82/73/646258273.db2.gz ARMZTLQVYQMZHH-IUCAKERBSA-N 1 0 231.296 -1.003 20 0 BAADRO COC[C@H](O)CNC(=O)NC[C@H]1CC[N@@H+]1C ZINC000925421119 646259755 /nfs/dbraw/zinc/25/97/55/646259755.db2.gz ARMZTLQVYQMZHH-RKDXNWHRSA-N 1 0 231.296 -1.003 20 0 BAADRO C[N@@H+]1CC[C@@H]1CNC(=O)NC(C)(CO)CO ZINC000925423249 646275503 /nfs/dbraw/zinc/27/55/03/646275503.db2.gz OEQTWUILSUAOJJ-MRVPVSSYSA-N 1 0 231.296 -1.267 20 0 BAADRO C[N@@H+]1CC[C@H]1CNC(=O)NC(C)(CO)CO ZINC000925423250 646258840 /nfs/dbraw/zinc/25/88/40/646258840.db2.gz OEQTWUILSUAOJJ-QMMMGPOBSA-N 1 0 231.296 -1.267 20 0 BAADRO C[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H]1COC[C@@H]1O ZINC000925429159 641937497 /nfs/dbraw/zinc/93/74/97/641937497.db2.gz NILLWJYHEZAIBC-HLTSFMKQSA-N 1 0 229.280 -1.251 20 0 BAADRO C[N@@H+]1CC[C@H]1CNC(=O)N[C@@H]1COC[C@@H]1O ZINC000925429160 641938290 /nfs/dbraw/zinc/93/82/90/641938290.db2.gz NILLWJYHEZAIBC-YIZRAAEISA-N 1 0 229.280 -1.251 20 0 BAADRO C[N@@H+]1CC[C@H]1CNC(=O)N[C@@H]1COC[C@H]1O ZINC000925431842 646280279 /nfs/dbraw/zinc/28/02/79/646280279.db2.gz NILLWJYHEZAIBC-DJLDLDEBSA-N 1 0 229.280 -1.251 20 0 BAADRO C[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H]1COC[C@H]1O ZINC000925431843 646278519 /nfs/dbraw/zinc/27/85/19/646278519.db2.gz NILLWJYHEZAIBC-IWSPIJDZSA-N 1 0 229.280 -1.251 20 0 BAADRO C[C@@H](O)[C@@H](CO)NC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925433562 646282250 /nfs/dbraw/zinc/28/22/50/646282250.db2.gz YRIHZGHHHKFQHO-HRDYMLBCSA-N 1 0 231.296 -1.269 20 0 BAADRO C[C@@H](O)[C@@H](CO)NC(=O)NC[C@H]1CC[N@@H+]1C ZINC000925433563 646281199 /nfs/dbraw/zinc/28/11/99/646281199.db2.gz YRIHZGHHHKFQHO-IWSPIJDZSA-N 1 0 231.296 -1.269 20 0 BAADRO CCS(=O)(=O)CCN[C@@H]1C[NH2+]CCOC1 ZINC000925478427 642446728 /nfs/dbraw/zinc/44/67/28/642446728.db2.gz OSIKXDSZIHROMV-SECBINFHSA-N 1 0 236.337 -1.001 20 0 BAADRO CCS(=O)(=O)CCN[C@H]1C[NH2+]CCOC1 ZINC000925478428 642445055 /nfs/dbraw/zinc/44/50/55/642445055.db2.gz OSIKXDSZIHROMV-VIFPVBQESA-N 1 0 236.337 -1.001 20 0 BAADRO C(N[C@@H]1C[NH2+]CCOC1)[C@@H]1COCCO1 ZINC000925485285 646297910 /nfs/dbraw/zinc/29/79/10/646297910.db2.gz MVYQBSCPXXGBRL-NXEZZACHSA-N 1 0 216.281 -1.020 20 0 BAADRO C(N[C@H]1C[NH2+]CCOC1)[C@H]1COCCO1 ZINC000925485286 646297379 /nfs/dbraw/zinc/29/73/79/646297379.db2.gz MVYQBSCPXXGBRL-UWVGGRQHSA-N 1 0 216.281 -1.020 20 0 BAADRO C(N[C@H]1C[NH2+]CCOC1)[C@@H]1COCCO1 ZINC000925485287 646296377 /nfs/dbraw/zinc/29/63/77/646296377.db2.gz MVYQBSCPXXGBRL-VHSXEESVSA-N 1 0 216.281 -1.020 20 0 BAADRO C(N[C@@H]1C[NH2+]CCOC1)[C@H]1COCCO1 ZINC000925485288 646297837 /nfs/dbraw/zinc/29/78/37/646297837.db2.gz MVYQBSCPXXGBRL-ZJUUUORDSA-N 1 0 216.281 -1.020 20 0 BAADRO O=C1NCCC[C@@H]1N[C@@H]1C[NH2+]CCOC1 ZINC000925535234 646322204 /nfs/dbraw/zinc/32/22/04/646322204.db2.gz UFQRRSFDAZOIJE-BDAKNGLRSA-N 1 0 213.281 -1.157 20 0 BAADRO O=C1NCCC[C@H]1N[C@H]1C[NH2+]CCOC1 ZINC000925535235 646322681 /nfs/dbraw/zinc/32/26/81/646322681.db2.gz UFQRRSFDAZOIJE-DTWKUNHWSA-N 1 0 213.281 -1.157 20 0 BAADRO O=C1NCCC[C@@H]1N[C@H]1C[NH2+]CCOC1 ZINC000925535236 646322272 /nfs/dbraw/zinc/32/22/72/646322272.db2.gz UFQRRSFDAZOIJE-IUCAKERBSA-N 1 0 213.281 -1.157 20 0 BAADRO O=C1NCCC[C@H]1N[C@@H]1C[NH2+]CCOC1 ZINC000925535237 646321660 /nfs/dbraw/zinc/32/16/60/646321660.db2.gz UFQRRSFDAZOIJE-RKDXNWHRSA-N 1 0 213.281 -1.157 20 0 BAADRO C[C@H](CC(N)=O)N[C@@H]1C[NH2+]CCOC1 ZINC000925572437 646339677 /nfs/dbraw/zinc/33/96/77/646339677.db2.gz ITFGMFJAMDRPDU-HTQZYQBOSA-N 1 0 201.270 -1.172 20 0 BAADRO C[C@@H](CC(N)=O)N[C@@H]1C[NH2+]CCOC1 ZINC000925572439 646339376 /nfs/dbraw/zinc/33/93/76/646339376.db2.gz ITFGMFJAMDRPDU-JGVFFNPUSA-N 1 0 201.270 -1.172 20 0 BAADRO C[C@H](CC(N)=O)N[C@H]1C[NH2+]CCOC1 ZINC000925572440 646339665 /nfs/dbraw/zinc/33/96/65/646339665.db2.gz ITFGMFJAMDRPDU-SFYZADRCSA-N 1 0 201.270 -1.172 20 0 BAADRO C[C@@H](CC(N)=O)N[C@H]1C[NH2+]CCOC1 ZINC000925572442 646340228 /nfs/dbraw/zinc/34/02/28/646340228.db2.gz ITFGMFJAMDRPDU-YUMQZZPRSA-N 1 0 201.270 -1.172 20 0 BAADRO c1ncn(CCN[C@@H]2C[NH2+]CCOC2)n1 ZINC000925590622 646349041 /nfs/dbraw/zinc/34/90/41/646349041.db2.gz SFBANQYUWZYUPB-SECBINFHSA-N 1 0 211.269 -1.144 20 0 BAADRO c1ncn(CCN[C@H]2C[NH2+]CCOC2)n1 ZINC000925590623 646348571 /nfs/dbraw/zinc/34/85/71/646348571.db2.gz SFBANQYUWZYUPB-VIFPVBQESA-N 1 0 211.269 -1.144 20 0 BAADRO CN1C[C@H](N[C@H]2C[NH2+]CCOC2)CC1=O ZINC000925593740 634113426 /nfs/dbraw/zinc/11/34/26/634113426.db2.gz IJOWDFSNXMGVBR-BDAKNGLRSA-N 1 0 213.281 -1.205 20 0 BAADRO CN1C[C@@H](N[C@@H]2C[NH2+]CCOC2)CC1=O ZINC000925593742 634112491 /nfs/dbraw/zinc/11/24/91/634112491.db2.gz IJOWDFSNXMGVBR-DTWKUNHWSA-N 1 0 213.281 -1.205 20 0 BAADRO CN1C[C@@H](N[C@H]2C[NH2+]CCOC2)CC1=O ZINC000925593749 634113944 /nfs/dbraw/zinc/11/39/44/634113944.db2.gz IJOWDFSNXMGVBR-IUCAKERBSA-N 1 0 213.281 -1.205 20 0 BAADRO CN1C[C@H](N[C@@H]2C[NH2+]CCOC2)CC1=O ZINC000925593750 634114066 /nfs/dbraw/zinc/11/40/66/634114066.db2.gz IJOWDFSNXMGVBR-RKDXNWHRSA-N 1 0 213.281 -1.205 20 0 BAADRO COC[C@@H](CCO)N[C@@H]1C[NH2+]CCOC1 ZINC000925610202 646360567 /nfs/dbraw/zinc/36/05/67/646360567.db2.gz DBSNGWCFSXGFAC-NXEZZACHSA-N 1 0 218.297 -1.038 20 0 BAADRO COC[C@H](CCO)N[C@H]1C[NH2+]CCOC1 ZINC000925610203 646349151 /nfs/dbraw/zinc/34/91/51/646349151.db2.gz DBSNGWCFSXGFAC-UWVGGRQHSA-N 1 0 218.297 -1.038 20 0 BAADRO COC[C@H](CCO)N[C@@H]1C[NH2+]CCOC1 ZINC000925610205 646348410 /nfs/dbraw/zinc/34/84/10/646348410.db2.gz DBSNGWCFSXGFAC-VHSXEESVSA-N 1 0 218.297 -1.038 20 0 BAADRO COC[C@@H](CCO)N[C@H]1C[NH2+]CCOC1 ZINC000925610206 646348822 /nfs/dbraw/zinc/34/88/22/646348822.db2.gz DBSNGWCFSXGFAC-ZJUUUORDSA-N 1 0 218.297 -1.038 20 0 BAADRO COC[C@](C)(O)CN[C@@H]1C[NH2+]CCOC1 ZINC000925610384 646359227 /nfs/dbraw/zinc/35/92/27/646359227.db2.gz DJJRXAFTUHPSMX-NXEZZACHSA-N 1 0 218.297 -1.038 20 0 BAADRO COC[C@@](C)(O)CN[C@H]1C[NH2+]CCOC1 ZINC000925610385 646360501 /nfs/dbraw/zinc/36/05/01/646360501.db2.gz DJJRXAFTUHPSMX-UWVGGRQHSA-N 1 0 218.297 -1.038 20 0 BAADRO COC[C@](C)(O)CN[C@H]1C[NH2+]CCOC1 ZINC000925610387 646359795 /nfs/dbraw/zinc/35/97/95/646359795.db2.gz DJJRXAFTUHPSMX-VHSXEESVSA-N 1 0 218.297 -1.038 20 0 BAADRO COC[C@@](C)(O)CN[C@@H]1C[NH2+]CCOC1 ZINC000925610388 646360421 /nfs/dbraw/zinc/36/04/21/646360421.db2.gz DJJRXAFTUHPSMX-ZJUUUORDSA-N 1 0 218.297 -1.038 20 0 BAADRO OCCOCCN[C@@H]1C[NH2+]CCOC1 ZINC000925611927 646347328 /nfs/dbraw/zinc/34/73/28/646347328.db2.gz OBXPSDNUTGRPHR-SECBINFHSA-N 1 0 204.270 -1.427 20 0 BAADRO OCCOCCN[C@H]1C[NH2+]CCOC1 ZINC000925611928 646345763 /nfs/dbraw/zinc/34/57/63/646345763.db2.gz OBXPSDNUTGRPHR-VIFPVBQESA-N 1 0 204.270 -1.427 20 0 BAADRO CN1CCO[C@H](CN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925619932 646367219 /nfs/dbraw/zinc/36/72/19/646367219.db2.gz CEGJOXDPRKNPMU-GHMZBOCLSA-N 1 0 229.324 -1.105 20 0 BAADRO CN1CCO[C@@H](CN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925619936 646367039 /nfs/dbraw/zinc/36/70/39/646367039.db2.gz CEGJOXDPRKNPMU-MNOVXSKESA-N 1 0 229.324 -1.105 20 0 BAADRO CN1CCO[C@@H](CN[C@H]2C[NH2+]CCOC2)C1 ZINC000925619940 646367655 /nfs/dbraw/zinc/36/76/55/646367655.db2.gz CEGJOXDPRKNPMU-QWRGUYRKSA-N 1 0 229.324 -1.105 20 0 BAADRO CN1CCO[C@H](CN[C@H]2C[NH2+]CCOC2)C1 ZINC000925619941 646367027 /nfs/dbraw/zinc/36/70/27/646367027.db2.gz CEGJOXDPRKNPMU-WDEREUQCSA-N 1 0 229.324 -1.105 20 0 BAADRO COC[C@H](O)CCN[C@@H]1C[NH2+]CCOC1 ZINC000925625544 646372283 /nfs/dbraw/zinc/37/22/83/646372283.db2.gz FZERKOCXAABRJB-NXEZZACHSA-N 1 0 218.297 -1.038 20 0 BAADRO COC[C@@H](O)CCN[C@H]1C[NH2+]CCOC1 ZINC000925625545 646371344 /nfs/dbraw/zinc/37/13/44/646371344.db2.gz FZERKOCXAABRJB-UWVGGRQHSA-N 1 0 218.297 -1.038 20 0 BAADRO COC[C@H](O)CCN[C@H]1C[NH2+]CCOC1 ZINC000925625546 646371794 /nfs/dbraw/zinc/37/17/94/646371794.db2.gz FZERKOCXAABRJB-VHSXEESVSA-N 1 0 218.297 -1.038 20 0 BAADRO COC[C@@H](O)CCN[C@@H]1C[NH2+]CCOC1 ZINC000925625547 646372614 /nfs/dbraw/zinc/37/26/14/646372614.db2.gz FZERKOCXAABRJB-ZJUUUORDSA-N 1 0 218.297 -1.038 20 0 BAADRO O[C@@]1(CN[C@@H]2C[NH2+]CCOC2)CCOC1 ZINC000925627039 646373634 /nfs/dbraw/zinc/37/36/34/646373634.db2.gz VTWZTOMZEFDYLF-NXEZZACHSA-N 1 0 216.281 -1.284 20 0 BAADRO O[C@]1(CN[C@H]2C[NH2+]CCOC2)CCOC1 ZINC000925627043 646373559 /nfs/dbraw/zinc/37/35/59/646373559.db2.gz VTWZTOMZEFDYLF-UWVGGRQHSA-N 1 0 216.281 -1.284 20 0 BAADRO O[C@@]1(CN[C@H]2C[NH2+]CCOC2)CCOC1 ZINC000925627044 646373726 /nfs/dbraw/zinc/37/37/26/646373726.db2.gz VTWZTOMZEFDYLF-VHSXEESVSA-N 1 0 216.281 -1.284 20 0 BAADRO O[C@]1(CN[C@@H]2C[NH2+]CCOC2)CCOC1 ZINC000925627045 646374493 /nfs/dbraw/zinc/37/44/93/646374493.db2.gz VTWZTOMZEFDYLF-ZJUUUORDSA-N 1 0 216.281 -1.284 20 0 BAADRO C[C@H](CN[C@H]1C[NH2+]CCOC1)S(C)(=O)=O ZINC000925627121 646374744 /nfs/dbraw/zinc/37/47/44/646374744.db2.gz WOEXXKBAXPMBPK-BDAKNGLRSA-N 1 0 236.337 -1.003 20 0 BAADRO C[C@@H](CN[C@@H]1C[NH2+]CCOC1)S(C)(=O)=O ZINC000925627122 646375274 /nfs/dbraw/zinc/37/52/74/646375274.db2.gz WOEXXKBAXPMBPK-DTWKUNHWSA-N 1 0 236.337 -1.003 20 0 BAADRO C[C@@H](CN[C@H]1C[NH2+]CCOC1)S(C)(=O)=O ZINC000925627123 646374027 /nfs/dbraw/zinc/37/40/27/646374027.db2.gz WOEXXKBAXPMBPK-IUCAKERBSA-N 1 0 236.337 -1.003 20 0 BAADRO C[C@H](CN[C@@H]1C[NH2+]CCOC1)S(C)(=O)=O ZINC000925627124 646374304 /nfs/dbraw/zinc/37/43/04/646374304.db2.gz WOEXXKBAXPMBPK-RKDXNWHRSA-N 1 0 236.337 -1.003 20 0 BAADRO OCCOCCC[NH2+][C@H]1CNCCOC1 ZINC000925630768 646376721 /nfs/dbraw/zinc/37/67/21/646376721.db2.gz CLJLUPYXOOJPLD-JTQLQIEISA-N 1 0 218.297 -1.037 20 0 BAADRO OCCOCCC[NH2+][C@@H]1CNCCOC1 ZINC000925630770 646375819 /nfs/dbraw/zinc/37/58/19/646375819.db2.gz CLJLUPYXOOJPLD-SNVBAGLBSA-N 1 0 218.297 -1.037 20 0 BAADRO O=C(CN[C@@H]1C[NH2+]CCOC1)NCC(F)F ZINC000925654211 646392705 /nfs/dbraw/zinc/39/27/05/646392705.db2.gz DXFNZPVKVCBGGF-SSDOTTSWSA-N 1 0 237.250 -1.054 20 0 BAADRO O=C(CN[C@H]1C[NH2+]CCOC1)NCC(F)F ZINC000925654212 646392185 /nfs/dbraw/zinc/39/21/85/646392185.db2.gz DXFNZPVKVCBGGF-ZETCQYMHSA-N 1 0 237.250 -1.054 20 0 BAADRO COCC[C@H](CO)N[C@@H]1C[NH2+]CCOC1 ZINC000925655164 646394985 /nfs/dbraw/zinc/39/49/85/646394985.db2.gz QNHQMWMEJMUJSZ-NXEZZACHSA-N 1 0 218.297 -1.038 20 0 BAADRO COCC[C@@H](CO)N[C@H]1C[NH2+]CCOC1 ZINC000925655166 646393526 /nfs/dbraw/zinc/39/35/26/646393526.db2.gz QNHQMWMEJMUJSZ-UWVGGRQHSA-N 1 0 218.297 -1.038 20 0 BAADRO COCC[C@@H](CO)N[C@@H]1C[NH2+]CCOC1 ZINC000925655168 646393836 /nfs/dbraw/zinc/39/38/36/646393836.db2.gz QNHQMWMEJMUJSZ-VHSXEESVSA-N 1 0 218.297 -1.038 20 0 BAADRO COCC[C@H](CO)N[C@H]1C[NH2+]CCOC1 ZINC000925655169 646395145 /nfs/dbraw/zinc/39/51/45/646395145.db2.gz QNHQMWMEJMUJSZ-ZJUUUORDSA-N 1 0 218.297 -1.038 20 0 BAADRO COC[C@H](CO)N[C@@H]1C[NH2+]CCOC1 ZINC000925664535 646399048 /nfs/dbraw/zinc/39/90/48/646399048.db2.gz YYTADQOKJNSUSR-BDAKNGLRSA-N 1 0 204.270 -1.428 20 0 BAADRO COC[C@@H](CO)N[C@H]1C[NH2+]CCOC1 ZINC000925664537 646397603 /nfs/dbraw/zinc/39/76/03/646397603.db2.gz YYTADQOKJNSUSR-DTWKUNHWSA-N 1 0 204.270 -1.428 20 0 BAADRO COC[C@H](CO)N[C@H]1C[NH2+]CCOC1 ZINC000925664539 646398456 /nfs/dbraw/zinc/39/84/56/646398456.db2.gz YYTADQOKJNSUSR-IUCAKERBSA-N 1 0 204.270 -1.428 20 0 BAADRO COC[C@@H](CO)N[C@@H]1C[NH2+]CCOC1 ZINC000925664540 646397607 /nfs/dbraw/zinc/39/76/07/646397607.db2.gz YYTADQOKJNSUSR-RKDXNWHRSA-N 1 0 204.270 -1.428 20 0 BAADRO COC[C@@H](O)CN[C@@H]1C[NH2+]CCOC1 ZINC000925666257 646399008 /nfs/dbraw/zinc/39/90/08/646399008.db2.gz KNNWNWHYUCSMFC-BDAKNGLRSA-N 1 0 204.270 -1.428 20 0 BAADRO COC[C@H](O)CN[C@H]1C[NH2+]CCOC1 ZINC000925666258 646397773 /nfs/dbraw/zinc/39/77/73/646397773.db2.gz KNNWNWHYUCSMFC-DTWKUNHWSA-N 1 0 204.270 -1.428 20 0 BAADRO COC[C@@H](O)CN[C@H]1C[NH2+]CCOC1 ZINC000925666259 646398567 /nfs/dbraw/zinc/39/85/67/646398567.db2.gz KNNWNWHYUCSMFC-IUCAKERBSA-N 1 0 204.270 -1.428 20 0 BAADRO COC[C@H](O)CN[C@@H]1C[NH2+]CCOC1 ZINC000925666260 646397884 /nfs/dbraw/zinc/39/78/84/646397884.db2.gz KNNWNWHYUCSMFC-RKDXNWHRSA-N 1 0 204.270 -1.428 20 0 BAADRO Cn1ncc(CN[C@@H]2C[NH2+]CCOC2)n1 ZINC000925670051 646400316 /nfs/dbraw/zinc/40/03/16/646400316.db2.gz GHVNLEBWGHGUTP-SECBINFHSA-N 1 0 211.269 -1.107 20 0 BAADRO Cn1ncc(CN[C@H]2C[NH2+]CCOC2)n1 ZINC000925670052 646399768 /nfs/dbraw/zinc/39/97/68/646399768.db2.gz GHVNLEBWGHGUTP-VIFPVBQESA-N 1 0 211.269 -1.107 20 0 BAADRO CO[C@@H]1COC[C@@H]1N[C@@H]1C[NH2+]CCOC1 ZINC000925686423 634298876 /nfs/dbraw/zinc/29/88/76/634298876.db2.gz TXPVCFHHOUTTJN-KXUCPTDWSA-N 1 0 216.281 -1.022 20 0 BAADRO CO[C@@H]1COC[C@@H]1N[C@H]1C[NH2+]CCOC1 ZINC000925686424 634298546 /nfs/dbraw/zinc/29/85/46/634298546.db2.gz TXPVCFHHOUTTJN-LPEHRKFASA-N 1 0 216.281 -1.022 20 0 BAADRO O[C@@H]1COC[C@H]1N[C@H]1C[NH2+]CCOC1 ZINC000925689229 646414916 /nfs/dbraw/zinc/41/49/16/646414916.db2.gz HLYQOMDSNOOLCL-DJLDLDEBSA-N 1 0 202.254 -1.676 20 0 BAADRO O[C@@H]1COC[C@H]1N[C@@H]1C[NH2+]CCOC1 ZINC000925689247 646415066 /nfs/dbraw/zinc/41/50/66/646415066.db2.gz HLYQOMDSNOOLCL-IWSPIJDZSA-N 1 0 202.254 -1.676 20 0 BAADRO NC(=O)[C@H]1C[C@@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925701648 646425903 /nfs/dbraw/zinc/42/59/03/646425903.db2.gz CSNBDEBZMVWVCW-HRDYMLBCSA-N 1 0 213.281 -1.172 20 0 BAADRO NC(=O)[C@H]1C[C@@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925701649 646425018 /nfs/dbraw/zinc/42/50/18/646425018.db2.gz CSNBDEBZMVWVCW-YIZRAAEISA-N 1 0 213.281 -1.172 20 0 BAADRO CO[C@@H]1COC[C@H]1N[C@H]1C[NH2+]CCOC1 ZINC000925713468 634415984 /nfs/dbraw/zinc/41/59/84/634415984.db2.gz TXPVCFHHOUTTJN-IVZWLZJFSA-N 1 0 216.281 -1.022 20 0 BAADRO CO[C@@H]1COC[C@H]1N[C@@H]1C[NH2+]CCOC1 ZINC000925713469 634417357 /nfs/dbraw/zinc/41/73/57/634417357.db2.gz TXPVCFHHOUTTJN-OPRDCNLKSA-N 1 0 216.281 -1.022 20 0 BAADRO CON(C)C(=O)[C@@H](C)N[C@H]1C[NH2+]CCOC1 ZINC000925717353 646442985 /nfs/dbraw/zinc/44/29/85/646442985.db2.gz FZWHROYTYMCYHU-BDAKNGLRSA-N 1 0 231.296 -1.027 20 0 BAADRO CON(C)C(=O)[C@H](C)N[C@@H]1C[NH2+]CCOC1 ZINC000925717369 646442180 /nfs/dbraw/zinc/44/21/80/646442180.db2.gz FZWHROYTYMCYHU-DTWKUNHWSA-N 1 0 231.296 -1.027 20 0 BAADRO CON(C)C(=O)[C@H](C)N[C@H]1C[NH2+]CCOC1 ZINC000925717371 646442662 /nfs/dbraw/zinc/44/26/62/646442662.db2.gz FZWHROYTYMCYHU-IUCAKERBSA-N 1 0 231.296 -1.027 20 0 BAADRO CON(C)C(=O)[C@@H](C)N[C@@H]1C[NH2+]CCOC1 ZINC000925717373 646442606 /nfs/dbraw/zinc/44/26/06/646442606.db2.gz FZWHROYTYMCYHU-RKDXNWHRSA-N 1 0 231.296 -1.027 20 0 BAADRO NC(=O)[C@H]1C[C@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925717661 634454371 /nfs/dbraw/zinc/45/43/71/634454371.db2.gz CSNBDEBZMVWVCW-CIUDSAMLSA-N 1 0 213.281 -1.172 20 0 BAADRO NC(=O)[C@H]1C[C@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925717663 634455241 /nfs/dbraw/zinc/45/52/41/634455241.db2.gz CSNBDEBZMVWVCW-IWSPIJDZSA-N 1 0 213.281 -1.172 20 0 BAADRO CN1CCOC[C@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925719365 646444451 /nfs/dbraw/zinc/44/44/51/646444451.db2.gz SVZLLMNVIPGQRR-GHMZBOCLSA-N 1 0 229.324 -1.105 20 0 BAADRO CN1CCOC[C@@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925719366 646444061 /nfs/dbraw/zinc/44/40/61/646444061.db2.gz SVZLLMNVIPGQRR-MNOVXSKESA-N 1 0 229.324 -1.105 20 0 BAADRO CN1CCOC[C@@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925719367 646444532 /nfs/dbraw/zinc/44/45/32/646444532.db2.gz SVZLLMNVIPGQRR-QWRGUYRKSA-N 1 0 229.324 -1.105 20 0 BAADRO CN1CCOC[C@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925719368 646444131 /nfs/dbraw/zinc/44/41/31/646444131.db2.gz SVZLLMNVIPGQRR-WDEREUQCSA-N 1 0 229.324 -1.105 20 0 BAADRO NC(=O)C1CC(N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925727231 646452676 /nfs/dbraw/zinc/45/26/76/646452676.db2.gz CSNBDEBZMVWVCW-AMDVSUOASA-N 1 0 213.281 -1.172 20 0 BAADRO NC(=O)C1CC(N[C@H]2C[NH2+]CCOC2)C1 ZINC000925727233 646451166 /nfs/dbraw/zinc/45/11/66/646451166.db2.gz CSNBDEBZMVWVCW-HACHORDNSA-N 1 0 213.281 -1.172 20 0 BAADRO O=C1NCCN1CCN[C@@H]1C[NH2+]CCOC1 ZINC000925777945 646475776 /nfs/dbraw/zinc/47/57/76/646475776.db2.gz RRSHNAWKFTZAAD-SECBINFHSA-N 1 0 228.296 -1.410 20 0 BAADRO O=C1NCCN1CCN[C@H]1C[NH2+]CCOC1 ZINC000925777946 646476203 /nfs/dbraw/zinc/47/62/03/646476203.db2.gz RRSHNAWKFTZAAD-VIFPVBQESA-N 1 0 228.296 -1.410 20 0 BAADRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)N=c1nc[nH]n1C ZINC000926077922 646573062 /nfs/dbraw/zinc/57/30/62/646573062.db2.gz SEQSYHQAUOWPPI-RNFRBKRXSA-N 1 0 224.268 -1.034 20 0 BAADRO CNS(=O)(=O)CC[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000926240687 646603552 /nfs/dbraw/zinc/60/35/52/646603552.db2.gz OFSODEADDQMZRF-SSDOTTSWSA-N 1 0 249.336 -1.350 20 0 BAADRO CNS(=O)(=O)CC[NH2+][C@H]1C(=O)NCC1(C)C ZINC000926240688 646598967 /nfs/dbraw/zinc/59/89/67/646598967.db2.gz OFSODEADDQMZRF-ZETCQYMHSA-N 1 0 249.336 -1.350 20 0 BAADRO C[C@@H]1CN(C(=O)C(=O)N2CCOCC2)C[C@H]1[NH3+] ZINC000926280613 646609863 /nfs/dbraw/zinc/60/98/63/646609863.db2.gz DHQQOFJMEBPNIM-RKDXNWHRSA-N 1 0 241.291 -1.349 20 0 BAADRO COCCN(C)C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000926300541 646612828 /nfs/dbraw/zinc/61/28/28/646612828.db2.gz VIYIDASNTGEVHB-RKDXNWHRSA-N 1 0 243.307 -1.103 20 0 BAADRO CCN(C)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926325356 646617545 /nfs/dbraw/zinc/61/75/45/646617545.db2.gz LISZMBLACKHGTO-LLVKDONJSA-N 1 0 243.307 -1.223 20 0 BAADRO CCN(C)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926325357 646616882 /nfs/dbraw/zinc/61/68/82/646616882.db2.gz LISZMBLACKHGTO-NSHDSACASA-N 1 0 243.307 -1.223 20 0 BAADRO C[C@@H]1CN(C(=O)C(=O)N(C)CCO)C[C@H]1[NH3+] ZINC000926417327 646632963 /nfs/dbraw/zinc/63/29/63/646632963.db2.gz JBFMNFNVDCLVFQ-HTQZYQBOSA-N 1 0 229.280 -1.757 20 0 BAADRO C[C@H](O)CN(C)C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000926418349 646632580 /nfs/dbraw/zinc/63/25/80/646632580.db2.gz JRQZPCWASZDSLP-HRDYMLBCSA-N 1 0 243.307 -1.369 20 0 BAADRO C[C@@H](O)CN(C)C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000926418350 646632623 /nfs/dbraw/zinc/63/26/23/646632623.db2.gz JRQZPCWASZDSLP-IWSPIJDZSA-N 1 0 243.307 -1.369 20 0 BAADRO C[C@@H]1[C@@H](NC(=O)CCNC(=O)CO)CC[N@@H+]1C ZINC000928428522 645743040 /nfs/dbraw/zinc/74/30/40/645743040.db2.gz SGYIUHHBSOYPMT-BDAKNGLRSA-N 1 0 243.307 -1.306 20 0 BAADRO C[C@H]1[C@H](NC(=O)CCNC(=O)CO)CC[N@@H+]1C ZINC000928428525 645742518 /nfs/dbraw/zinc/74/25/18/645742518.db2.gz SGYIUHHBSOYPMT-DTWKUNHWSA-N 1 0 243.307 -1.306 20 0 BAADRO C[C@H]1[C@@H](NC(=O)CCNC(=O)CO)CC[N@@H+]1C ZINC000928428527 645741730 /nfs/dbraw/zinc/74/17/30/645741730.db2.gz SGYIUHHBSOYPMT-IUCAKERBSA-N 1 0 243.307 -1.306 20 0 BAADRO C[C@@H]1[C@H](NC(=O)CCNC(=O)CO)CC[N@@H+]1C ZINC000928428528 645743069 /nfs/dbraw/zinc/74/30/69/645743069.db2.gz SGYIUHHBSOYPMT-RKDXNWHRSA-N 1 0 243.307 -1.306 20 0 BAADRO C[C@@H]1[C@H](NC(=O)Cn2cnnn2)CC[N@@H+]1C ZINC000928451424 645778152 /nfs/dbraw/zinc/77/81/52/645778152.db2.gz KKTOSPPTFDJWBG-HTQZYQBOSA-N 1 0 224.268 -1.118 20 0 BAADRO C[C@H]1[C@H](NC(=O)Cn2cnnn2)CC[N@@H+]1C ZINC000928451428 645775835 /nfs/dbraw/zinc/77/58/35/645775835.db2.gz KKTOSPPTFDJWBG-JGVFFNPUSA-N 1 0 224.268 -1.118 20 0 BAADRO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@@H+]1C ZINC000928451429 645777372 /nfs/dbraw/zinc/77/73/72/645777372.db2.gz KKTOSPPTFDJWBG-SFYZADRCSA-N 1 0 224.268 -1.118 20 0 BAADRO C[C@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@@H+]1C ZINC000928451430 645777212 /nfs/dbraw/zinc/77/72/12/645777212.db2.gz KKTOSPPTFDJWBG-YUMQZZPRSA-N 1 0 224.268 -1.118 20 0 BAADRO C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC000928549938 636082946 /nfs/dbraw/zinc/08/29/46/636082946.db2.gz BGRZXQLZAOUXLC-BQBZGAKWSA-N 1 0 213.237 -1.085 20 0 BAADRO C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC000928549939 636083676 /nfs/dbraw/zinc/08/36/76/636083676.db2.gz BGRZXQLZAOUXLC-NKWVEPMBSA-N 1 0 213.237 -1.085 20 0 BAADRO C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC000928549940 636083269 /nfs/dbraw/zinc/08/32/69/636083269.db2.gz BGRZXQLZAOUXLC-RNFRBKRXSA-N 1 0 213.237 -1.085 20 0 BAADRO C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC000928549941 636082713 /nfs/dbraw/zinc/08/27/13/636082713.db2.gz BGRZXQLZAOUXLC-RQJHMYQMSA-N 1 0 213.237 -1.085 20 0 BAADRO Cc1nn(CC(=O)NC[C@H]2CC[N@H+]2C)c(=O)o1 ZINC000928552304 645805135 /nfs/dbraw/zinc/80/51/35/645805135.db2.gz TTXWGBYDIUDWGL-MRVPVSSYSA-N 1 0 240.263 -1.035 20 0 BAADRO Cc1nn(CC(=O)NC[C@@H]2CC[N@H+]2C)c(=O)o1 ZINC000928552305 645806498 /nfs/dbraw/zinc/80/64/98/645806498.db2.gz TTXWGBYDIUDWGL-QMMMGPOBSA-N 1 0 240.263 -1.035 20 0 BAADRO CN1C[C@H](C(=O)NC[C@H]2CC[N@@H+]2C)NC1=O ZINC000928552623 645805821 /nfs/dbraw/zinc/80/58/21/645805821.db2.gz JXTUFIBKXDEVEY-HTQZYQBOSA-N 1 0 226.280 -1.170 20 0 BAADRO CN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+]2C)NC1=O ZINC000928552624 645805426 /nfs/dbraw/zinc/80/54/26/645805426.db2.gz JXTUFIBKXDEVEY-JGVFFNPUSA-N 1 0 226.280 -1.170 20 0 BAADRO CN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+]2C)NC1=O ZINC000928552625 645807766 /nfs/dbraw/zinc/80/77/66/645807766.db2.gz JXTUFIBKXDEVEY-SFYZADRCSA-N 1 0 226.280 -1.170 20 0 BAADRO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2C)NC1=O ZINC000928552626 645806727 /nfs/dbraw/zinc/80/67/27/645806727.db2.gz JXTUFIBKXDEVEY-YUMQZZPRSA-N 1 0 226.280 -1.170 20 0 BAADRO C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000928552668 645804408 /nfs/dbraw/zinc/80/44/08/645804408.db2.gz KSWPZHMZYHNROD-HTQZYQBOSA-N 1 0 247.320 -1.502 20 0 BAADRO C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000928552672 645803521 /nfs/dbraw/zinc/80/35/21/645803521.db2.gz KSWPZHMZYHNROD-JGVFFNPUSA-N 1 0 247.320 -1.502 20 0 BAADRO C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000928552674 645802379 /nfs/dbraw/zinc/80/23/79/645802379.db2.gz KSWPZHMZYHNROD-SFYZADRCSA-N 1 0 247.320 -1.502 20 0 BAADRO C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000928552676 645802967 /nfs/dbraw/zinc/80/29/67/645802967.db2.gz KSWPZHMZYHNROD-YUMQZZPRSA-N 1 0 247.320 -1.502 20 0 BAADRO C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCNC1=O ZINC000928553328 636088718 /nfs/dbraw/zinc/08/87/18/636088718.db2.gz NFHZPDOHYZZSHE-HTQZYQBOSA-N 1 0 211.265 -1.057 20 0 BAADRO C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCNC1=O ZINC000928553329 636088333 /nfs/dbraw/zinc/08/83/33/636088333.db2.gz NFHZPDOHYZZSHE-JGVFFNPUSA-N 1 0 211.265 -1.057 20 0 BAADRO C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCNC1=O ZINC000928553330 636088267 /nfs/dbraw/zinc/08/82/67/636088267.db2.gz NFHZPDOHYZZSHE-SFYZADRCSA-N 1 0 211.265 -1.057 20 0 BAADRO C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCNC1=O ZINC000928553332 636089201 /nfs/dbraw/zinc/08/92/01/636089201.db2.gz NFHZPDOHYZZSHE-YUMQZZPRSA-N 1 0 211.265 -1.057 20 0 BAADRO Cn1cnn(CC(=O)NC[C@H]2CC[N@@H+]2C)c1=O ZINC000928555154 636092161 /nfs/dbraw/zinc/09/21/61/636092161.db2.gz LYBSJUIOEMDEGO-MRVPVSSYSA-N 1 0 239.279 -1.598 20 0 BAADRO Cn1cnn(CC(=O)NC[C@@H]2CC[N@@H+]2C)c1=O ZINC000928555158 636092618 /nfs/dbraw/zinc/09/26/18/636092618.db2.gz LYBSJUIOEMDEGO-QMMMGPOBSA-N 1 0 239.279 -1.598 20 0 BAADRO C[N@@H+]1CC[C@@H]1CNC(=O)CN1CCOCC1=O ZINC000928556879 636096205 /nfs/dbraw/zinc/09/62/05/636096205.db2.gz QKAGLVADUQXUHH-SECBINFHSA-N 1 0 241.291 -1.335 20 0 BAADRO C[N@@H+]1CC[C@H]1CNC(=O)CN1CCOCC1=O ZINC000928556889 636096504 /nfs/dbraw/zinc/09/65/04/636096504.db2.gz QKAGLVADUQXUHH-VIFPVBQESA-N 1 0 241.291 -1.335 20 0 BAADRO C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000928558458 645816283 /nfs/dbraw/zinc/81/62/83/645816283.db2.gz ZLOYNMMGENWHDV-BQBZGAKWSA-N 1 0 240.263 -1.595 20 0 BAADRO C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000928558464 636099301 /nfs/dbraw/zinc/09/93/01/636099301.db2.gz ZLOYNMMGENWHDV-RQJHMYQMSA-N 1 0 240.263 -1.595 20 0 BAADRO COCC(=O)N(C)CC(=O)NC[C@H]1CC[N@@H+]1C ZINC000928559115 636102811 /nfs/dbraw/zinc/10/28/11/636102811.db2.gz VHMIWGSPZBPJAW-SECBINFHSA-N 1 0 243.307 -1.089 20 0 BAADRO COCC(=O)N(C)CC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928559116 636103324 /nfs/dbraw/zinc/10/33/24/636103324.db2.gz VHMIWGSPZBPJAW-VIFPVBQESA-N 1 0 243.307 -1.089 20 0 BAADRO CCS(=O)(=O)NCC(=O)NC[C@H]1CC[N@@H+]1C ZINC000928559431 636102977 /nfs/dbraw/zinc/10/29/77/636102977.db2.gz MONPPUNWUIGOKE-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO CCS(=O)(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928559432 636103475 /nfs/dbraw/zinc/10/34/75/636103475.db2.gz MONPPUNWUIGOKE-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO CNC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1C ZINC000928560537 636106291 /nfs/dbraw/zinc/10/62/91/636106291.db2.gz XMOGQPWCMWUQFT-SSDOTTSWSA-N 1 0 214.269 -1.264 20 0 BAADRO CNC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928560538 636104991 /nfs/dbraw/zinc/10/49/91/636104991.db2.gz XMOGQPWCMWUQFT-ZETCQYMHSA-N 1 0 214.269 -1.264 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928563450 645822220 /nfs/dbraw/zinc/82/22/20/645822220.db2.gz PIUXMLHFFNZOQG-HTQZYQBOSA-N 1 0 249.336 -1.256 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928563451 645824668 /nfs/dbraw/zinc/82/46/68/645824668.db2.gz PIUXMLHFFNZOQG-JGVFFNPUSA-N 1 0 249.336 -1.256 20 0 BAADRO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928563452 645825219 /nfs/dbraw/zinc/82/52/19/645825219.db2.gz PIUXMLHFFNZOQG-SFYZADRCSA-N 1 0 249.336 -1.256 20 0 BAADRO C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928563453 645822982 /nfs/dbraw/zinc/82/29/82/645822982.db2.gz PIUXMLHFFNZOQG-YUMQZZPRSA-N 1 0 249.336 -1.256 20 0 BAADRO C[N@@H+]1CC[C@@H]1CNC(=O)CN1CC(=O)NC1=O ZINC000928563987 711778633 /nfs/dbraw/zinc/77/86/33/711778633.db2.gz SIZNCBILXDQHQI-SSDOTTSWSA-N 1 0 240.263 -1.642 20 0 BAADRO C[N@@H+]1CC[C@H]1CNC(=O)CN1CC(=O)NC1=O ZINC000928563988 711778508 /nfs/dbraw/zinc/77/85/08/711778508.db2.gz SIZNCBILXDQHQI-ZETCQYMHSA-N 1 0 240.263 -1.642 20 0 BAADRO C[N@@H+]1CC[C@@H]1CNC(=O)CCNS(C)(=O)=O ZINC000928565227 636112999 /nfs/dbraw/zinc/11/29/99/636112999.db2.gz BJXFWZRTYUPIDL-MRVPVSSYSA-N 1 0 249.336 -1.254 20 0 BAADRO C[N@@H+]1CC[C@H]1CNC(=O)CCNS(C)(=O)=O ZINC000928565228 636113048 /nfs/dbraw/zinc/11/30/48/636113048.db2.gz BJXFWZRTYUPIDL-QMMMGPOBSA-N 1 0 249.336 -1.254 20 0 BAADRO C[N@@H+]1CC[C@@H]1CNC(=O)Cn1cnnn1 ZINC000928568144 636114517 /nfs/dbraw/zinc/11/45/17/636114517.db2.gz MBHMACVQSWVJLZ-SSDOTTSWSA-N 1 0 210.241 -1.507 20 0 BAADRO C[N@@H+]1CC[C@H]1CNC(=O)Cn1cnnn1 ZINC000928568145 636114420 /nfs/dbraw/zinc/11/44/20/636114420.db2.gz MBHMACVQSWVJLZ-ZETCQYMHSA-N 1 0 210.241 -1.507 20 0 BAADRO CN(CC(=O)NC[C@H]1CC[N@@H+]1C)S(C)(=O)=O ZINC000928570737 636116771 /nfs/dbraw/zinc/11/67/71/636116771.db2.gz UZQYEPDEOPFYPL-MRVPVSSYSA-N 1 0 249.336 -1.302 20 0 BAADRO CN(CC(=O)NC[C@@H]1CC[N@@H+]1C)S(C)(=O)=O ZINC000928570738 636116526 /nfs/dbraw/zinc/11/65/26/636116526.db2.gz UZQYEPDEOPFYPL-QMMMGPOBSA-N 1 0 249.336 -1.302 20 0 BAADRO C[N@@H+]1CC[C@@H]1CNC(=O)CCNC(=O)CO ZINC000928571735 645832331 /nfs/dbraw/zinc/83/23/31/645832331.db2.gz QGMRURXSAQSZIK-MRVPVSSYSA-N 1 0 229.280 -1.695 20 0 BAADRO C[N@@H+]1CC[C@H]1CNC(=O)CCNC(=O)CO ZINC000928571737 645834683 /nfs/dbraw/zinc/83/46/83/645834683.db2.gz QGMRURXSAQSZIK-QMMMGPOBSA-N 1 0 229.280 -1.695 20 0 BAADRO C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000928578159 645835749 /nfs/dbraw/zinc/83/57/49/645835749.db2.gz KJJLTLMJBALJFF-BIIVOSGPSA-N 1 0 211.265 -1.072 20 0 BAADRO C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000928578163 645837026 /nfs/dbraw/zinc/83/70/26/645837026.db2.gz KJJLTLMJBALJFF-GJMOJQLCSA-N 1 0 211.265 -1.072 20 0 BAADRO C[N@@H+]1CC[C@@H]1CNC(=O)CN1CCNC(=O)C1 ZINC000928578190 645836808 /nfs/dbraw/zinc/83/68/08/645836808.db2.gz LAGFESGKVCOQLG-SECBINFHSA-N 1 0 240.307 -1.762 20 0 BAADRO C[N@@H+]1CC[C@H]1CNC(=O)CN1CCNC(=O)C1 ZINC000928578200 645836780 /nfs/dbraw/zinc/83/67/80/645836780.db2.gz LAGFESGKVCOQLG-VIFPVBQESA-N 1 0 240.307 -1.762 20 0 BAADRO CN1CC[N@H+](C)CC(C(=O)N2CCOCN2)C1 ZINC000928941268 645901407 /nfs/dbraw/zinc/90/14/07/645901407.db2.gz BMIFNKVKJZJGRP-UHFFFAOYSA-N 1 0 242.323 -1.199 20 0 BAADRO CC[NH+]1CCN(CC(=O)N2CCOCN2)CC1 ZINC000928949457 645907887 /nfs/dbraw/zinc/90/78/87/645907887.db2.gz DHYQEJGGBNJCIO-UHFFFAOYSA-N 1 0 242.323 -1.055 20 0 BAADRO CC(=O)N1CCO[C@H](C(=O)NCC[NH+](C)C)C1 ZINC000929162765 645981872 /nfs/dbraw/zinc/98/18/72/645981872.db2.gz PWDSKOCYNUQSHY-JTQLQIEISA-N 1 0 243.307 -1.089 20 0 BAADRO CC(=O)N1CCO[C@@H](C(=O)NCC[NH+](C)C)C1 ZINC000929162766 645982237 /nfs/dbraw/zinc/98/22/37/645982237.db2.gz PWDSKOCYNUQSHY-SNVBAGLBSA-N 1 0 243.307 -1.089 20 0 BAADRO C[C@@H](O)[C@H](O)CN(C)CC(=O)N1CCOCC1 ZINC000929225049 646022403 /nfs/dbraw/zinc/02/24/03/646022403.db2.gz PDFPCHKZFRERBI-NXEZZACHSA-N 1 0 246.307 -1.481 20 0 BAADRO C[C@H](O)[C@@H](O)CN(C)CC(=O)N1CCOCC1 ZINC000929225050 646022284 /nfs/dbraw/zinc/02/22/84/646022284.db2.gz PDFPCHKZFRERBI-UWVGGRQHSA-N 1 0 246.307 -1.481 20 0 BAADRO C[C@H](O)[C@H](O)CN(C)CC(=O)N1CCOCC1 ZINC000929225051 646021631 /nfs/dbraw/zinc/02/16/31/646021631.db2.gz PDFPCHKZFRERBI-VHSXEESVSA-N 1 0 246.307 -1.481 20 0 BAADRO C[C@@H](O)[C@@H](O)CN(C)CC(=O)N1CCOCC1 ZINC000929225053 646022797 /nfs/dbraw/zinc/02/27/97/646022797.db2.gz PDFPCHKZFRERBI-ZJUUUORDSA-N 1 0 246.307 -1.481 20 0 BAADRO C[C@@H](O)[C@H](O)CN(C)CC(=O)N(C)C ZINC000929225895 646023329 /nfs/dbraw/zinc/02/33/29/646023329.db2.gz OSMGJAABWMTWBY-HTQZYQBOSA-N 1 0 204.270 -1.252 20 0 BAADRO CN(CC(=O)N1CCOCC1)C[C@@H](O)CO ZINC000929225936 646021611 /nfs/dbraw/zinc/02/16/11/646021611.db2.gz XKKARBGCGNWNSO-SECBINFHSA-N 1 0 232.280 -1.870 20 0 BAADRO C[C@H](O)[C@H](O)CN(C)CC(=O)N(C)C ZINC000929226273 646021560 /nfs/dbraw/zinc/02/15/60/646021560.db2.gz OSMGJAABWMTWBY-JGVFFNPUSA-N 1 0 204.270 -1.252 20 0 BAADRO C[C@@H](O)[C@@H](O)CN(C)CC(=O)N(C)C ZINC000929226274 646021179 /nfs/dbraw/zinc/02/11/79/646021179.db2.gz OSMGJAABWMTWBY-SFYZADRCSA-N 1 0 204.270 -1.252 20 0 BAADRO C[C@H](O)[C@H](O)CN(C)CC(=O)NC1CC1 ZINC000929227968 646023039 /nfs/dbraw/zinc/02/30/39/646023039.db2.gz HGPIYDDOCBIBQP-IONNQARKSA-N 1 0 216.281 -1.062 20 0 BAADRO NC(=O)[C@H]1CCCC[N@@H+]1C[C@@H](O)CO ZINC000929231566 646024262 /nfs/dbraw/zinc/02/42/62/646024262.db2.gz KUNTVBCECZNYIG-HTQZYQBOSA-N 1 0 202.254 -1.321 20 0 BAADRO NC(=O)[C@H]1CCCC[N@@H+]1C[C@H](O)CO ZINC000929231567 646025687 /nfs/dbraw/zinc/02/56/87/646025687.db2.gz KUNTVBCECZNYIG-JGVFFNPUSA-N 1 0 202.254 -1.321 20 0 BAADRO NC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)CO ZINC000929231568 646024063 /nfs/dbraw/zinc/02/40/63/646024063.db2.gz KUNTVBCECZNYIG-SFYZADRCSA-N 1 0 202.254 -1.321 20 0 BAADRO NC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](O)CO ZINC000929231569 646024689 /nfs/dbraw/zinc/02/46/89/646024689.db2.gz KUNTVBCECZNYIG-YUMQZZPRSA-N 1 0 202.254 -1.321 20 0 BAADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)CO ZINC000929234654 646026214 /nfs/dbraw/zinc/02/62/14/646026214.db2.gz GIBBAJYPRMYERV-BDAKNGLRSA-N 1 0 216.281 -1.108 20 0 BAADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)CO ZINC000929234657 646026541 /nfs/dbraw/zinc/02/65/41/646026541.db2.gz GIBBAJYPRMYERV-IUCAKERBSA-N 1 0 216.281 -1.108 20 0 BAADRO CC(C)C[N@@H+](CC(N)=O)C[C@H](O)CO ZINC000929257692 646041213 /nfs/dbraw/zinc/04/12/13/646041213.db2.gz URVAOOFNQKENEM-QMMMGPOBSA-N 1 0 204.270 -1.217 20 0 BAADRO CC(C)C[N@@H+](CC(N)=O)C[C@@H](O)CO ZINC000929258117 646038454 /nfs/dbraw/zinc/03/84/54/646038454.db2.gz URVAOOFNQKENEM-MRVPVSSYSA-N 1 0 204.270 -1.217 20 0 BAADRO C[NH+](C)CC(=O)N1CCN(C[C@H](O)CO)CC1 ZINC000929258717 646040167 /nfs/dbraw/zinc/04/01/67/646040167.db2.gz BXGGQIRBYUOTLX-JTQLQIEISA-N 1 0 245.323 -1.955 20 0 BAADRO C[NH+](C)CC(=O)N1CCN(C[C@@H](O)CO)CC1 ZINC000929258718 646039507 /nfs/dbraw/zinc/03/95/07/646039507.db2.gz BXGGQIRBYUOTLX-SNVBAGLBSA-N 1 0 245.323 -1.955 20 0 BAADRO COCCN(CC(=O)N(C)C)C[C@@H](O)CO ZINC000929280954 646058699 /nfs/dbraw/zinc/05/86/99/646058699.db2.gz BNZOCGVFLLBGOF-SECBINFHSA-N 1 0 234.296 -1.624 20 0 BAADRO COCCN(CC(=O)N(C)C)C[C@H](O)CO ZINC000929280955 646060139 /nfs/dbraw/zinc/06/01/39/646060139.db2.gz BNZOCGVFLLBGOF-VIFPVBQESA-N 1 0 234.296 -1.624 20 0 BAADRO COCCN(CC(=O)N(C)C)C[C@@H](O)[C@@H](C)O ZINC000929281948 646059412 /nfs/dbraw/zinc/05/94/12/646059412.db2.gz QYLYBNANMKPBIF-NXEZZACHSA-N 1 0 248.323 -1.235 20 0 BAADRO CCC[N@@H+](CC(=O)NC)C[C@@H](O)CO ZINC000929320483 646079455 /nfs/dbraw/zinc/07/94/55/646079455.db2.gz WVQZNJQSHDPKKL-MRVPVSSYSA-N 1 0 204.270 -1.202 20 0 BAADRO CCC[N@@H+](CC(=O)NC)C[C@H](O)CO ZINC000929320484 646079397 /nfs/dbraw/zinc/07/93/97/646079397.db2.gz WVQZNJQSHDPKKL-QMMMGPOBSA-N 1 0 204.270 -1.202 20 0 BAADRO CNC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)CO ZINC000929334499 646085142 /nfs/dbraw/zinc/08/51/42/646085142.db2.gz PBOXOWPTXZKFKR-HTQZYQBOSA-N 1 0 202.254 -1.450 20 0 BAADRO CNC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)CO ZINC000929334500 646085207 /nfs/dbraw/zinc/08/52/07/646085207.db2.gz PBOXOWPTXZKFKR-JGVFFNPUSA-N 1 0 202.254 -1.450 20 0 BAADRO CNC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)CO ZINC000929334501 646083862 /nfs/dbraw/zinc/08/38/62/646083862.db2.gz PBOXOWPTXZKFKR-SFYZADRCSA-N 1 0 202.254 -1.450 20 0 BAADRO CNC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)CO ZINC000929334502 646084317 /nfs/dbraw/zinc/08/43/17/646084317.db2.gz PBOXOWPTXZKFKR-YUMQZZPRSA-N 1 0 202.254 -1.450 20 0 BAADRO CC[C@H](CO)[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000929425451 646117791 /nfs/dbraw/zinc/11/77/91/646117791.db2.gz UHMRGACRLQVFCB-HTQZYQBOSA-N 1 0 202.254 -1.057 20 0 BAADRO CC[C@@H](CO)[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000929425452 646118359 /nfs/dbraw/zinc/11/83/59/646118359.db2.gz UHMRGACRLQVFCB-JGVFFNPUSA-N 1 0 202.254 -1.057 20 0 BAADRO CC[C@H](CO)[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000929425453 646116960 /nfs/dbraw/zinc/11/69/60/646116960.db2.gz UHMRGACRLQVFCB-SFYZADRCSA-N 1 0 202.254 -1.057 20 0 BAADRO CC[C@@H](CO)[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000929425454 646117230 /nfs/dbraw/zinc/11/72/30/646117230.db2.gz UHMRGACRLQVFCB-YUMQZZPRSA-N 1 0 202.254 -1.057 20 0 BAADRO CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)CO ZINC000929473040 646130830 /nfs/dbraw/zinc/13/08/30/646130830.db2.gz VFFHAOHMNLDPQS-BDAKNGLRSA-N 1 0 216.281 -1.060 20 0 BAADRO CNC(=O)[C@H]1CCCC[N@@H+]1C[C@H](O)CO ZINC000929473041 646129949 /nfs/dbraw/zinc/12/99/49/646129949.db2.gz VFFHAOHMNLDPQS-DTWKUNHWSA-N 1 0 216.281 -1.060 20 0 BAADRO CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](O)CO ZINC000929473042 646130674 /nfs/dbraw/zinc/13/06/74/646130674.db2.gz VFFHAOHMNLDPQS-IUCAKERBSA-N 1 0 216.281 -1.060 20 0 BAADRO CNC(=O)[C@H]1CCCC[N@@H+]1C[C@@H](O)CO ZINC000929473043 646131382 /nfs/dbraw/zinc/13/13/82/646131382.db2.gz VFFHAOHMNLDPQS-RKDXNWHRSA-N 1 0 216.281 -1.060 20 0 BAADRO COCC[N@H+](CCO)C[C@H](O)[C@@H](C)O ZINC000929488956 641332564 /nfs/dbraw/zinc/33/25/64/641332564.db2.gz XDWOBODSJLHRJP-BDAKNGLRSA-N 1 0 207.270 -1.331 20 0 BAADRO COCC[N@H+](CCO)C[C@@H](O)[C@H](C)O ZINC000929488958 641332424 /nfs/dbraw/zinc/33/24/24/641332424.db2.gz XDWOBODSJLHRJP-DTWKUNHWSA-N 1 0 207.270 -1.331 20 0 BAADRO COCC[N@H+](CCO)C[C@H](O)[C@H](C)O ZINC000929488961 641331557 /nfs/dbraw/zinc/33/15/57/641331557.db2.gz XDWOBODSJLHRJP-IUCAKERBSA-N 1 0 207.270 -1.331 20 0 BAADRO COCC[N@H+](CCO)C[C@@H](O)[C@@H](C)O ZINC000929488964 641332669 /nfs/dbraw/zinc/33/26/69/641332669.db2.gz XDWOBODSJLHRJP-RKDXNWHRSA-N 1 0 207.270 -1.331 20 0 BAADRO CNC(=O)CC[N@H+](C)C[C@@H](O)[C@@H](C)O ZINC000929492757 646148618 /nfs/dbraw/zinc/14/86/18/646148618.db2.gz RXTDJXKUVIQUAN-HTQZYQBOSA-N 1 0 204.270 -1.204 20 0 BAADRO CNC(=O)CC[N@H+](C)C[C@@H](O)[C@H](C)O ZINC000929492758 646147978 /nfs/dbraw/zinc/14/79/78/646147978.db2.gz RXTDJXKUVIQUAN-JGVFFNPUSA-N 1 0 204.270 -1.204 20 0 BAADRO CNC(=O)CC[N@H+](C)C[C@H](O)[C@@H](C)O ZINC000929492759 646132342 /nfs/dbraw/zinc/13/23/42/646132342.db2.gz RXTDJXKUVIQUAN-SFYZADRCSA-N 1 0 204.270 -1.204 20 0 BAADRO CNC(=O)CC[N@H+](C)C[C@H](O)[C@H](C)O ZINC000929492760 646134375 /nfs/dbraw/zinc/13/43/75/646134375.db2.gz RXTDJXKUVIQUAN-YUMQZZPRSA-N 1 0 204.270 -1.204 20 0 BAADRO C[N@H+](CCN1CCOCC1)C[C@H](O)CO ZINC000929510288 646159665 /nfs/dbraw/zinc/15/96/65/646159665.db2.gz PRHSHULDGCTDIM-JTQLQIEISA-N 1 0 218.297 -1.396 20 0 BAADRO C[N@H+](CCN1CCOCC1)C[C@@H](O)CO ZINC000929510289 646159065 /nfs/dbraw/zinc/15/90/65/646159065.db2.gz PRHSHULDGCTDIM-SNVBAGLBSA-N 1 0 218.297 -1.396 20 0 BAADRO C[C@@H](O)[C@H](O)C[N@H+](C)CCN1CCOCC1 ZINC000929511816 646160084 /nfs/dbraw/zinc/16/00/84/646160084.db2.gz ZTBOVOYTORYIGL-GHMZBOCLSA-N 1 0 232.324 -1.008 20 0 BAADRO C[C@@H](O)[C@@H](O)C[N@H+](C)CCN1CCOCC1 ZINC000929511817 646158569 /nfs/dbraw/zinc/15/85/69/646158569.db2.gz ZTBOVOYTORYIGL-MNOVXSKESA-N 1 0 232.324 -1.008 20 0 BAADRO C[C@H](O)[C@@H](O)C[N@H+](C)CCN1CCOCC1 ZINC000929511818 646160141 /nfs/dbraw/zinc/16/01/41/646160141.db2.gz ZTBOVOYTORYIGL-QWRGUYRKSA-N 1 0 232.324 -1.008 20 0 BAADRO C[C@H](O)[C@H](O)C[N@H+](C)CCN1CCOCC1 ZINC000929511819 646159486 /nfs/dbraw/zinc/15/94/86/646159486.db2.gz ZTBOVOYTORYIGL-WDEREUQCSA-N 1 0 232.324 -1.008 20 0 BAADRO OCC[NH+](CCO)C[C@H](O)C1(O)CCCC1 ZINC000929513657 646162847 /nfs/dbraw/zinc/16/28/47/646162847.db2.gz KOJGTYPDURCIRL-JTQLQIEISA-N 1 0 233.308 -1.061 20 0 BAADRO OCC[NH+](CCO)C[C@@H](O)C1(O)CCCC1 ZINC000929513658 646161975 /nfs/dbraw/zinc/16/19/75/646161975.db2.gz KOJGTYPDURCIRL-SNVBAGLBSA-N 1 0 233.308 -1.061 20 0 BAADRO OCC[NH+](CCO)C[C@@H](O)C1(O)CCC1 ZINC000929514571 646162895 /nfs/dbraw/zinc/16/28/95/646162895.db2.gz VDOBGNIQUGXTNE-SECBINFHSA-N 1 0 219.281 -1.451 20 0 BAADRO OCC[NH+](CCO)C[C@H](O)C1(O)CCC1 ZINC000929514572 646163707 /nfs/dbraw/zinc/16/37/07/646163707.db2.gz VDOBGNIQUGXTNE-VIFPVBQESA-N 1 0 219.281 -1.451 20 0 BAADRO C[C@@H](O)[C@H](O)C[N@@H+]1CCNC(=O)CC1 ZINC000929514682 646162573 /nfs/dbraw/zinc/16/25/73/646162573.db2.gz UJOXZVUKAZJKIU-HTQZYQBOSA-N 1 0 202.254 -1.450 20 0 BAADRO C[C@H](O)[C@H](O)C[N@@H+]1CCNC(=O)CC1 ZINC000929514683 646165017 /nfs/dbraw/zinc/16/50/17/646165017.db2.gz UJOXZVUKAZJKIU-JGVFFNPUSA-N 1 0 202.254 -1.450 20 0 BAADRO C[C@@H](O)[C@@H](O)C[N@@H+]1CCNC(=O)CC1 ZINC000929514684 646164910 /nfs/dbraw/zinc/16/49/10/646164910.db2.gz UJOXZVUKAZJKIU-SFYZADRCSA-N 1 0 202.254 -1.450 20 0 BAADRO C[C@H](O)[C@@H](O)C[N@@H+]1CCNC(=O)CC1 ZINC000929514685 646165886 /nfs/dbraw/zinc/16/58/86/646165886.db2.gz UJOXZVUKAZJKIU-YUMQZZPRSA-N 1 0 202.254 -1.450 20 0 BAADRO C[N@H+](C[C@@H](O)CO)[C@H]1CCCCNC1=O ZINC000929516883 646165685 /nfs/dbraw/zinc/16/56/85/646165685.db2.gz HJSZZCVZCVCTEO-BDAKNGLRSA-N 1 0 216.281 -1.060 20 0 BAADRO C[N@H+](C[C@H](O)CO)[C@@H]1CCCCNC1=O ZINC000929516885 646167327 /nfs/dbraw/zinc/16/73/27/646167327.db2.gz HJSZZCVZCVCTEO-DTWKUNHWSA-N 1 0 216.281 -1.060 20 0 BAADRO C[N@H+](C[C@H](O)CO)[C@H]1CCCCNC1=O ZINC000929516886 646166754 /nfs/dbraw/zinc/16/67/54/646166754.db2.gz HJSZZCVZCVCTEO-IUCAKERBSA-N 1 0 216.281 -1.060 20 0 BAADRO C[N@H+](C[C@@H](O)CO)[C@@H]1CCCCNC1=O ZINC000929516888 646167640 /nfs/dbraw/zinc/16/76/40/646167640.db2.gz HJSZZCVZCVCTEO-RKDXNWHRSA-N 1 0 216.281 -1.060 20 0 BAADRO CCOCC[NH+]1CCN(C[C@@H](O)CO)CC1 ZINC000929545737 646176383 /nfs/dbraw/zinc/17/63/83/646176383.db2.gz OVRULRLYKBNRIA-LLVKDONJSA-N 1 0 232.324 -1.006 20 0 BAADRO CCOCC[NH+]1CCN(C[C@H](O)CO)CC1 ZINC000929545739 646177211 /nfs/dbraw/zinc/17/72/11/646177211.db2.gz OVRULRLYKBNRIA-NSHDSACASA-N 1 0 232.324 -1.006 20 0 BAADRO COCCN(C[C@H](O)CO)[C@H](C)C(N)=O ZINC000929588806 646187823 /nfs/dbraw/zinc/18/78/23/646187823.db2.gz ZDJRCKPBIDSBEY-SFYZADRCSA-N 1 0 220.269 -1.838 20 0 BAADRO COCCN(C[C@H](O)CO)[C@@H](C)C(N)=O ZINC000929588807 646188415 /nfs/dbraw/zinc/18/84/15/646188415.db2.gz ZDJRCKPBIDSBEY-YUMQZZPRSA-N 1 0 220.269 -1.838 20 0 BAADRO COCCN(C[C@@H](O)CO)[C@H](C)C(N)=O ZINC000929590136 646187941 /nfs/dbraw/zinc/18/79/41/646187941.db2.gz ZDJRCKPBIDSBEY-HTQZYQBOSA-N 1 0 220.269 -1.838 20 0 BAADRO COCCN(C[C@@H](O)CO)[C@@H](C)C(N)=O ZINC000929590137 646188284 /nfs/dbraw/zinc/18/82/84/646188284.db2.gz ZDJRCKPBIDSBEY-JGVFFNPUSA-N 1 0 220.269 -1.838 20 0 BAADRO OCCC[N@H+](CCO)C[C@H](O)C1(O)CCC1 ZINC000929614962 646200734 /nfs/dbraw/zinc/20/07/34/646200734.db2.gz ITKXPUVRPLFTOO-JTQLQIEISA-N 1 0 233.308 -1.061 20 0 BAADRO OCCC[N@H+](CCO)C[C@@H](O)C1(O)CCC1 ZINC000929614963 646202071 /nfs/dbraw/zinc/20/20/71/646202071.db2.gz ITKXPUVRPLFTOO-SNVBAGLBSA-N 1 0 233.308 -1.061 20 0 BAADRO C[C@@H](O)[C@@H](O)C[N@H+](CCO)CCCO ZINC000929616157 646200425 /nfs/dbraw/zinc/20/04/25/646200425.db2.gz VEZBOZYBIODZMG-BDAKNGLRSA-N 1 0 207.270 -1.595 20 0 BAADRO C[C@H](O)[C@H](O)C[N@H+](CCO)CCCO ZINC000929616158 646202107 /nfs/dbraw/zinc/20/21/07/646202107.db2.gz VEZBOZYBIODZMG-DTWKUNHWSA-N 1 0 207.270 -1.595 20 0 BAADRO C[C@H](O)[C@@H](O)C[N@H+](CCO)CCCO ZINC000929616159 646200510 /nfs/dbraw/zinc/20/05/10/646200510.db2.gz VEZBOZYBIODZMG-IUCAKERBSA-N 1 0 207.270 -1.595 20 0 BAADRO C[C@@H](O)[C@H](O)C[N@H+](CCO)CCCO ZINC000929616160 646202209 /nfs/dbraw/zinc/20/22/09/646202209.db2.gz VEZBOZYBIODZMG-RKDXNWHRSA-N 1 0 207.270 -1.595 20 0 BAADRO C[N@H+](CCN1CCCC1=O)C[C@@H](O)CO ZINC000929631060 646211326 /nfs/dbraw/zinc/21/13/26/646211326.db2.gz CKQKUTMXPBELBA-SECBINFHSA-N 1 0 216.281 -1.106 20 0 BAADRO CC1(C)C(=O)NCCN1C[C@@H](O)CO ZINC000929654311 646223657 /nfs/dbraw/zinc/22/36/57/646223657.db2.gz KMNBCDBHPMRAMP-SSDOTTSWSA-N 1 0 202.254 -1.450 20 0 BAADRO CC1(C)C(=O)NCCN1C[C@H](O)CO ZINC000929654312 646222979 /nfs/dbraw/zinc/22/29/79/646222979.db2.gz KMNBCDBHPMRAMP-ZETCQYMHSA-N 1 0 202.254 -1.450 20 0 BAADRO C[C@H](O)[C@@H](O)C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000929686182 641396396 /nfs/dbraw/zinc/39/63/96/641396396.db2.gz HHDUANMJILZROH-CIUDSAMLSA-N 1 0 216.281 -1.109 20 0 BAADRO C[C@H](O)[C@H](O)C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000929686183 641397400 /nfs/dbraw/zinc/39/74/00/641397400.db2.gz HHDUANMJILZROH-DJLDLDEBSA-N 1 0 216.281 -1.109 20 0 BAADRO C[C@H](O)[C@H](O)C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000929686184 641397126 /nfs/dbraw/zinc/39/71/26/641397126.db2.gz HHDUANMJILZROH-XHNCKOQMSA-N 1 0 216.281 -1.109 20 0 BAADRO C[C@H](O)[C@@H](O)C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000929686190 641397309 /nfs/dbraw/zinc/39/73/09/641397309.db2.gz HHDUANMJILZROH-YIZRAAEISA-N 1 0 216.281 -1.109 20 0 BAADRO OC[C@@H](O)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000929715446 641415614 /nfs/dbraw/zinc/41/56/14/641415614.db2.gz SJOJNTZWJMMJMP-NEPJUHHUSA-N 1 0 244.335 -1.006 20 0 BAADRO OC[C@H](O)C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000929715447 641416353 /nfs/dbraw/zinc/41/63/53/641416353.db2.gz SJOJNTZWJMMJMP-NWDGAFQWSA-N 1 0 244.335 -1.006 20 0 BAADRO OC[C@@H](O)C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000929715448 641415353 /nfs/dbraw/zinc/41/53/53/641415353.db2.gz SJOJNTZWJMMJMP-RYUDHWBXSA-N 1 0 244.335 -1.006 20 0 BAADRO OC[C@H](O)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000929715449 641415973 /nfs/dbraw/zinc/41/59/73/641415973.db2.gz SJOJNTZWJMMJMP-VXGBXAGGSA-N 1 0 244.335 -1.006 20 0 BAADRO C[C@@H](O)[C@@H](O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000929767971 646297078 /nfs/dbraw/zinc/29/70/78/646297078.db2.gz IPDXBAQIMBIBIH-HXFLIBJXSA-N 1 0 205.254 -1.844 20 0 BAADRO C[C@@H](O)[C@H](O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000929767972 646296390 /nfs/dbraw/zinc/29/63/90/646296390.db2.gz IPDXBAQIMBIBIH-LURQLKTLSA-N 1 0 205.254 -1.844 20 0 BAADRO C[C@H](O)[C@@H](O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000929767973 646297316 /nfs/dbraw/zinc/29/73/16/646297316.db2.gz IPDXBAQIMBIBIH-MAUMQABQSA-N 1 0 205.254 -1.844 20 0 BAADRO C[C@H](O)[C@H](O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000929767974 646297921 /nfs/dbraw/zinc/29/79/21/646297921.db2.gz IPDXBAQIMBIBIH-RBXMUDONSA-N 1 0 205.254 -1.844 20 0 BAADRO O[C@@H](C[N@H+]1C[C@H](O)C[C@H](O)C1)C1(O)CCC1 ZINC000929769205 646299707 /nfs/dbraw/zinc/29/97/07/646299707.db2.gz OSFYEYJQRRZDRS-AEJSXWLSSA-N 1 0 231.292 -1.310 20 0 BAADRO O[C@H](C[N@H+]1C[C@H](O)C[C@H](O)C1)C1(O)CCC1 ZINC000929769206 646299126 /nfs/dbraw/zinc/29/91/26/646299126.db2.gz OSFYEYJQRRZDRS-KXUCPTDWSA-N 1 0 231.292 -1.310 20 0 BAADRO O[C@H](C[N@H+]1C[C@@H](O)[C@@H](O)C1)C1(O)CCC1 ZINC000929772250 646300359 /nfs/dbraw/zinc/30/03/59/646300359.db2.gz FLGWCJWBAJJSCN-HRDYMLBCSA-N 1 0 217.265 -1.700 20 0 BAADRO O[C@@H](C[N@H+]1C[C@@H](O)[C@@H](O)C1)C1(O)CCC1 ZINC000929772266 646301372 /nfs/dbraw/zinc/30/13/72/646301372.db2.gz FLGWCJWBAJJSCN-YIZRAAEISA-N 1 0 217.265 -1.700 20 0 BAADRO O[C@@H](C[N@H+]1C[C@@H](O)[C@@H](O)C1)C1(O)CCCC1 ZINC000929772335 641524515 /nfs/dbraw/zinc/52/45/15/641524515.db2.gz IFUOISDUUHFXGH-AEJSXWLSSA-N 1 0 231.292 -1.310 20 0 BAADRO O[C@H](C[N@H+]1C[C@@H](O)[C@@H](O)C1)C1(O)CCCC1 ZINC000929772336 641524219 /nfs/dbraw/zinc/52/42/19/641524219.db2.gz IFUOISDUUHFXGH-KXUCPTDWSA-N 1 0 231.292 -1.310 20 0 BAADRO O[C@@H]1C[N@@H+](C[C@H]2CCC3(COC3)O2)C[C@@H]1O ZINC000929772657 646299663 /nfs/dbraw/zinc/29/96/63/646299663.db2.gz LSJRCYLOXUUPOS-BBBLOLIVSA-N 1 0 229.276 -1.028 20 0 BAADRO O[C@@H]1C[N@@H+](C[C@@H]2CCC3(COC3)O2)C[C@@H]1O ZINC000929772658 646300479 /nfs/dbraw/zinc/30/04/79/646300479.db2.gz LSJRCYLOXUUPOS-LPEHRKFASA-N 1 0 229.276 -1.028 20 0 BAADRO CNC(=O)[C@H](C)C[N@H+](C)C[C@@H](O)CO ZINC000929776188 646302532 /nfs/dbraw/zinc/30/25/32/646302532.db2.gz FWEJOMVPNPMFTH-HTQZYQBOSA-N 1 0 204.270 -1.347 20 0 BAADRO CNC(=O)[C@@H](C)C[N@H+](C)C[C@@H](O)CO ZINC000929776189 646304034 /nfs/dbraw/zinc/30/40/34/646304034.db2.gz FWEJOMVPNPMFTH-JGVFFNPUSA-N 1 0 204.270 -1.347 20 0 BAADRO CNC(=O)[C@H](C)C[N@H+](C)C[C@H](O)CO ZINC000929776190 646303846 /nfs/dbraw/zinc/30/38/46/646303846.db2.gz FWEJOMVPNPMFTH-SFYZADRCSA-N 1 0 204.270 -1.347 20 0 BAADRO CNC(=O)[C@@H](C)C[N@H+](C)C[C@H](O)CO ZINC000929776191 646302668 /nfs/dbraw/zinc/30/26/68/646302668.db2.gz FWEJOMVPNPMFTH-YUMQZZPRSA-N 1 0 204.270 -1.347 20 0 BAADRO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2C[C@@H](O)CO ZINC000929780484 646310080 /nfs/dbraw/zinc/31/00/80/646310080.db2.gz DRGFQXMSQORTHX-HRDYMLBCSA-N 1 0 214.265 -1.308 20 0 BAADRO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2C[C@H](O)CO ZINC000929780488 646298456 /nfs/dbraw/zinc/29/84/56/646298456.db2.gz DRGFQXMSQORTHX-VGMNWLOBSA-N 1 0 214.265 -1.308 20 0 BAADRO CC(=O)N1CCN(C[C@@H](O)CO)[C@H](C)C1 ZINC000929840169 646351509 /nfs/dbraw/zinc/35/15/09/646351509.db2.gz AURVHZNKQMVQMT-PSASIEDQSA-N 1 0 216.281 -1.108 20 0 BAADRO CC(=O)N1CCN(C[C@H](O)CO)[C@H](C)C1 ZINC000929840170 646351756 /nfs/dbraw/zinc/35/17/56/646351756.db2.gz AURVHZNKQMVQMT-SCZZXKLOSA-N 1 0 216.281 -1.108 20 0 BAADRO CC(=O)N1CCN(C[C@@H](O)CO)[C@@H](C)C1 ZINC000929840171 646352511 /nfs/dbraw/zinc/35/25/11/646352511.db2.gz AURVHZNKQMVQMT-WCBMZHEXSA-N 1 0 216.281 -1.108 20 0 BAADRO CC(=O)N1CCN(C[C@H](O)CO)[C@@H](C)C1 ZINC000929840172 646353052 /nfs/dbraw/zinc/35/30/52/646353052.db2.gz AURVHZNKQMVQMT-WPRPVWTQSA-N 1 0 216.281 -1.108 20 0 BAADRO O=C1OC[C@H]2CN(C[C@H](O)CO)CCN12 ZINC000929841019 646351593 /nfs/dbraw/zinc/35/15/93/646351593.db2.gz JIVNVPFKAORLCI-SFYZADRCSA-N 1 0 216.237 -1.524 20 0 BAADRO O=C1OC[C@@H]2CN(C[C@H](O)CO)CCN12 ZINC000929841020 646352477 /nfs/dbraw/zinc/35/24/77/646352477.db2.gz JIVNVPFKAORLCI-YUMQZZPRSA-N 1 0 216.237 -1.524 20 0 BAADRO C[C@@H](O)[C@@H](O)C[N@H+](C)CC(C)(CO)CO ZINC000929858537 646363949 /nfs/dbraw/zinc/36/39/49/646363949.db2.gz JWWODKRTWWVVKO-BDAKNGLRSA-N 1 0 221.297 -1.349 20 0 BAADRO C[C@H](O)[C@H](O)C[N@H+](C)CC(C)(CO)CO ZINC000929858563 646363266 /nfs/dbraw/zinc/36/32/66/646363266.db2.gz JWWODKRTWWVVKO-DTWKUNHWSA-N 1 0 221.297 -1.349 20 0 BAADRO C[C@H](O)[C@@H](O)C[N@H+](C)CC(C)(CO)CO ZINC000929858564 646363630 /nfs/dbraw/zinc/36/36/30/646363630.db2.gz JWWODKRTWWVVKO-IUCAKERBSA-N 1 0 221.297 -1.349 20 0 BAADRO C[C@@H](O)[C@H](O)C[N@H+](C)CC(C)(CO)CO ZINC000929858566 646363756 /nfs/dbraw/zinc/36/37/56/646363756.db2.gz JWWODKRTWWVVKO-RKDXNWHRSA-N 1 0 221.297 -1.349 20 0 BAADRO CC(C)(C)[N@@H+](CC(N)=O)C[C@@H](O)CO ZINC000929859648 646362657 /nfs/dbraw/zinc/36/26/57/646362657.db2.gz ZQHFAUGCIAYZCJ-SSDOTTSWSA-N 1 0 204.270 -1.075 20 0 BAADRO CC(C)(C)[N@@H+](CC(N)=O)C[C@H](O)CO ZINC000929859649 646364072 /nfs/dbraw/zinc/36/40/72/646364072.db2.gz ZQHFAUGCIAYZCJ-ZETCQYMHSA-N 1 0 204.270 -1.075 20 0 BAADRO Cn1ccnc1N1CCN(C[C@H](O)CO)CC1 ZINC000930060553 646415667 /nfs/dbraw/zinc/41/56/67/646415667.db2.gz GAADILHCWLXRCD-JTQLQIEISA-N 1 0 240.307 -1.105 20 0 BAADRO Cn1ccnc1N1CCN(C[C@@H](O)CO)CC1 ZINC000930060554 646415319 /nfs/dbraw/zinc/41/53/19/646415319.db2.gz GAADILHCWLXRCD-SNVBAGLBSA-N 1 0 240.307 -1.105 20 0 BAADRO CNC(=O)CCC[N@H+](C)C[C@@H](O)CO ZINC000930082362 646424178 /nfs/dbraw/zinc/42/41/78/646424178.db2.gz OEMLQIGGVRVQJZ-MRVPVSSYSA-N 1 0 204.270 -1.202 20 0 BAADRO CNC(=O)CCC[N@H+](C)C[C@H](O)CO ZINC000930082367 646423829 /nfs/dbraw/zinc/42/38/29/646423829.db2.gz OEMLQIGGVRVQJZ-QMMMGPOBSA-N 1 0 204.270 -1.202 20 0 BAADRO O=C(CO)N1CCN(C[C@@H](O)CO)CC1 ZINC000930102802 642399368 /nfs/dbraw/zinc/39/93/68/642399368.db2.gz IOVRWIUKBPGBGW-MRVPVSSYSA-N 1 0 218.253 -2.524 20 0 BAADRO O=C(CO)N1CCN(C[C@H](O)CO)CC1 ZINC000930102803 642398162 /nfs/dbraw/zinc/39/81/62/642398162.db2.gz IOVRWIUKBPGBGW-QMMMGPOBSA-N 1 0 218.253 -2.524 20 0 BAADRO CC[C@H](CO)[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000930129018 646452094 /nfs/dbraw/zinc/45/20/94/646452094.db2.gz ZULKDWHNEGDUBT-HTQZYQBOSA-N 1 0 227.264 -1.007 20 0 BAADRO CC[C@@H](CO)[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000930129019 646452611 /nfs/dbraw/zinc/45/26/11/646452611.db2.gz ZULKDWHNEGDUBT-JGVFFNPUSA-N 1 0 227.264 -1.007 20 0 BAADRO CC[C@H](CO)[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000930129020 642509486 /nfs/dbraw/zinc/50/94/86/642509486.db2.gz ZULKDWHNEGDUBT-SFYZADRCSA-N 1 0 227.264 -1.007 20 0 BAADRO CC[C@@H](CO)[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000930129021 642508160 /nfs/dbraw/zinc/50/81/60/642508160.db2.gz ZULKDWHNEGDUBT-YUMQZZPRSA-N 1 0 227.264 -1.007 20 0 BAADRO CN(C)C(=O)NCC[N@H+](C)C[C@@H](O)CO ZINC000930166256 646470399 /nfs/dbraw/zinc/47/03/99/646470399.db2.gz GHPWJHHNYQKIOB-MRVPVSSYSA-N 1 0 219.285 -1.457 20 0 BAADRO CN(C)C(=O)NCC[N@H+](C)C[C@H](O)CO ZINC000930166257 646469303 /nfs/dbraw/zinc/46/93/03/646469303.db2.gz GHPWJHHNYQKIOB-QMMMGPOBSA-N 1 0 219.285 -1.457 20 0 BAADRO C[C@@H](O)[C@@H](O)C[N@H+](C)CCNC(=O)N(C)C ZINC000930168990 646469664 /nfs/dbraw/zinc/46/96/64/646469664.db2.gz WKFNTVUDIJPNBC-BDAKNGLRSA-N 1 0 233.312 -1.069 20 0 BAADRO C[C@H](O)[C@H](O)C[N@H+](C)CCNC(=O)N(C)C ZINC000930168992 646470660 /nfs/dbraw/zinc/47/06/60/646470660.db2.gz WKFNTVUDIJPNBC-DTWKUNHWSA-N 1 0 233.312 -1.069 20 0 BAADRO C[C@H](O)[C@@H](O)C[N@H+](C)CCNC(=O)N(C)C ZINC000930168994 646469519 /nfs/dbraw/zinc/46/95/19/646469519.db2.gz WKFNTVUDIJPNBC-IUCAKERBSA-N 1 0 233.312 -1.069 20 0 BAADRO C[C@@H](O)[C@H](O)C[N@H+](C)CCNC(=O)N(C)C ZINC000930168996 646470930 /nfs/dbraw/zinc/47/09/30/646470930.db2.gz WKFNTVUDIJPNBC-RKDXNWHRSA-N 1 0 233.312 -1.069 20 0 BAADRO NC(=O)C1([NH2+]C[C@@H](O)C2(O)CCC2)CC1 ZINC000930244847 639653199 /nfs/dbraw/zinc/65/31/99/639653199.db2.gz WZKWIQRMLQGECN-SSDOTTSWSA-N 1 0 214.265 -1.130 20 0 BAADRO NC(=O)C1([NH2+]C[C@H](O)C2(O)CCC2)CC1 ZINC000930244848 639652173 /nfs/dbraw/zinc/65/21/73/639652173.db2.gz WZKWIQRMLQGECN-ZETCQYMHSA-N 1 0 214.265 -1.130 20 0 BAADRO COC(=O)[C@@H]1C[C@H](OC)CCN1C[C@H](O)CO ZINC000930245523 639657482 /nfs/dbraw/zinc/65/74/82/639657482.db2.gz VOWKPJSTUCGDHE-AEJSXWLSSA-N 1 0 247.291 -1.008 20 0 BAADRO COC(=O)[C@@H]1C[C@H](OC)CCN1C[C@@H](O)CO ZINC000930245524 639656931 /nfs/dbraw/zinc/65/69/31/639656931.db2.gz VOWKPJSTUCGDHE-BBBLOLIVSA-N 1 0 247.291 -1.008 20 0 BAADRO COC(=O)[C@@H]1C[C@@H](OC)CCN1C[C@H](O)CO ZINC000930245525 639656233 /nfs/dbraw/zinc/65/62/33/639656233.db2.gz VOWKPJSTUCGDHE-GUBZILKMSA-N 1 0 247.291 -1.008 20 0 BAADRO COC(=O)[C@H]1C[C@H](OC)CCN1C[C@H](O)CO ZINC000930245526 639655650 /nfs/dbraw/zinc/65/56/50/639655650.db2.gz VOWKPJSTUCGDHE-IVZWLZJFSA-N 1 0 247.291 -1.008 20 0 BAADRO COC(=O)[C@H]1C[C@@H](OC)CCN1C[C@@H](O)CO ZINC000930245527 639656440 /nfs/dbraw/zinc/65/64/40/639656440.db2.gz VOWKPJSTUCGDHE-KXUCPTDWSA-N 1 0 247.291 -1.008 20 0 BAADRO COC(=O)[C@H]1C[C@@H](OC)CCN1C[C@H](O)CO ZINC000930245528 639655877 /nfs/dbraw/zinc/65/58/77/639655877.db2.gz VOWKPJSTUCGDHE-LPEHRKFASA-N 1 0 247.291 -1.008 20 0 BAADRO COC(=O)[C@H]1C[C@H](OC)CCN1C[C@@H](O)CO ZINC000930245529 639657498 /nfs/dbraw/zinc/65/74/98/639657498.db2.gz VOWKPJSTUCGDHE-OPRDCNLKSA-N 1 0 247.291 -1.008 20 0 BAADRO COC(=O)[C@@H]1C[C@@H](OC)CCN1C[C@@H](O)CO ZINC000930245530 639657371 /nfs/dbraw/zinc/65/73/71/639657371.db2.gz VOWKPJSTUCGDHE-UTLUCORTSA-N 1 0 247.291 -1.008 20 0 BAADRO COCCC[N@H+](CCO)C[C@@H](O)CO ZINC000930251027 639658826 /nfs/dbraw/zinc/65/88/26/639658826.db2.gz TUEZHYDUSBOFPH-SECBINFHSA-N 1 0 207.270 -1.330 20 0 BAADRO COCCC[N@H+](CCO)C[C@H](O)CO ZINC000930251028 639659282 /nfs/dbraw/zinc/65/92/82/639659282.db2.gz TUEZHYDUSBOFPH-VIFPVBQESA-N 1 0 207.270 -1.330 20 0 BAADRO O=C1N=NCN1C1CC[NH+](C[C@@H](O)CO)CC1 ZINC000930284776 639682172 /nfs/dbraw/zinc/68/21/72/639682172.db2.gz DFUPMXRSJBCWAT-SECBINFHSA-N 1 0 242.279 -1.026 20 0 BAADRO O=C1N=NCN1C1CC[NH+](C[C@H](O)CO)CC1 ZINC000930284777 639681438 /nfs/dbraw/zinc/68/14/38/639681438.db2.gz DFUPMXRSJBCWAT-VIFPVBQESA-N 1 0 242.279 -1.026 20 0 BAADRO C[C@H](O)[C@@H](O)C[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000930297986 639687205 /nfs/dbraw/zinc/68/72/05/639687205.db2.gz KFCXKIGZOMLWJM-NRPADANISA-N 1 0 216.281 -1.075 20 0 BAADRO C[C@H](O)[C@@H](O)C[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000930297987 639688399 /nfs/dbraw/zinc/68/83/99/639688399.db2.gz KFCXKIGZOMLWJM-OYNCUSHFSA-N 1 0 216.281 -1.075 20 0 BAADRO C[C@H](O)[C@H](O)C[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000930297988 639686729 /nfs/dbraw/zinc/68/67/29/639686729.db2.gz KFCXKIGZOMLWJM-QXFUBDJGSA-N 1 0 216.281 -1.075 20 0 BAADRO C[C@H](O)[C@H](O)C[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000930297989 639687683 /nfs/dbraw/zinc/68/76/83/639687683.db2.gz KFCXKIGZOMLWJM-XKSSXDPKSA-N 1 0 216.281 -1.075 20 0 BAADRO CNC(=O)[C@]1(C)CC[N@H+](C[C@@H](O)CO)C1 ZINC000930304627 639692381 /nfs/dbraw/zinc/69/23/81/639692381.db2.gz ICCVJQKJWYWBRJ-PSASIEDQSA-N 1 0 216.281 -1.202 20 0 BAADRO CNC(=O)[C@@]1(C)CC[N@H+](C[C@@H](O)CO)C1 ZINC000930304628 639694393 /nfs/dbraw/zinc/69/43/93/639694393.db2.gz ICCVJQKJWYWBRJ-SCZZXKLOSA-N 1 0 216.281 -1.202 20 0 BAADRO CNC(=O)[C@]1(C)CC[N@H+](C[C@H](O)CO)C1 ZINC000930307169 639692110 /nfs/dbraw/zinc/69/21/10/639692110.db2.gz ICCVJQKJWYWBRJ-WCBMZHEXSA-N 1 0 216.281 -1.202 20 0 BAADRO CNC(=O)[C@@]1(C)CC[N@H+](C[C@H](O)CO)C1 ZINC000930307170 639692264 /nfs/dbraw/zinc/69/22/64/639692264.db2.gz ICCVJQKJWYWBRJ-WPRPVWTQSA-N 1 0 216.281 -1.202 20 0 BAADRO O=C1N[C@H]2CC[N@@H+](C[C@@H](O)CO)C[C@@H]2CO1 ZINC000930310227 639695457 /nfs/dbraw/zinc/69/54/57/639695457.db2.gz UHEXTLVMTMSAEZ-HLTSFMKQSA-N 1 0 230.264 -1.230 20 0 BAADRO O=C1N[C@H]2CC[N@@H+](C[C@H](O)CO)C[C@@H]2CO1 ZINC000930310228 639697103 /nfs/dbraw/zinc/69/71/03/639697103.db2.gz UHEXTLVMTMSAEZ-VGMNWLOBSA-N 1 0 230.264 -1.230 20 0 BAADRO CC[N@H+](C[C@@H](O)CO)[C@@H]1CCNC1=O ZINC000930323205 639707264 /nfs/dbraw/zinc/70/72/64/639707264.db2.gz GTFKEMXDLRPPED-HTQZYQBOSA-N 1 0 202.254 -1.450 20 0 BAADRO CC[N@H+](C[C@@H](O)CO)[C@H]1CCNC1=O ZINC000930323211 639706842 /nfs/dbraw/zinc/70/68/42/639706842.db2.gz GTFKEMXDLRPPED-SFYZADRCSA-N 1 0 202.254 -1.450 20 0 BAADRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]C[C@H](O)CO ZINC000930323566 639704896 /nfs/dbraw/zinc/70/48/96/639704896.db2.gz GNEUFBDWQWOEBI-BIIVOSGPSA-N 1 0 202.254 -1.546 20 0 BAADRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]C[C@@H](O)CO ZINC000930323577 639705406 /nfs/dbraw/zinc/70/54/06/639705406.db2.gz GNEUFBDWQWOEBI-BWZBUEFSSA-N 1 0 202.254 -1.546 20 0 BAADRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]C[C@H](O)CO ZINC000930323579 639707358 /nfs/dbraw/zinc/70/73/58/639707358.db2.gz GNEUFBDWQWOEBI-CSMHCCOUSA-N 1 0 202.254 -1.546 20 0 BAADRO C[C@H]1CCNC(=O)[C@H]1[NH2+]C[C@H](O)CO ZINC000930323582 639704976 /nfs/dbraw/zinc/70/49/76/639704976.db2.gz GNEUFBDWQWOEBI-FXQIFTODSA-N 1 0 202.254 -1.546 20 0 BAADRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]C[C@H](O)CO ZINC000930323584 639707175 /nfs/dbraw/zinc/70/71/75/639707175.db2.gz GNEUFBDWQWOEBI-GJMOJQLCSA-N 1 0 202.254 -1.546 20 0 BAADRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]C[C@@H](O)CO ZINC000930323586 639704134 /nfs/dbraw/zinc/70/41/34/639704134.db2.gz GNEUFBDWQWOEBI-PRJMDXOYSA-N 1 0 202.254 -1.546 20 0 BAADRO C[C@H]1CCNC(=O)[C@H]1[NH2+]C[C@@H](O)CO ZINC000930323589 639706794 /nfs/dbraw/zinc/70/67/94/639706794.db2.gz GNEUFBDWQWOEBI-RNJXMRFFSA-N 1 0 202.254 -1.546 20 0 BAADRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]C[C@@H](O)CO ZINC000930323590 639706517 /nfs/dbraw/zinc/70/65/17/639706517.db2.gz GNEUFBDWQWOEBI-XLPZGREQSA-N 1 0 202.254 -1.546 20 0 BAADRO CC[N@H+](C[C@H](O)[C@H](C)O)[C@H]1CCNC1=O ZINC000930325792 645952640 /nfs/dbraw/zinc/95/26/40/645952640.db2.gz FDONEMVRNORUAX-CIUDSAMLSA-N 1 0 216.281 -1.062 20 0 BAADRO CC[N@H+](C[C@H](O)[C@@H](C)O)[C@@H]1CCNC1=O ZINC000930325847 645951763 /nfs/dbraw/zinc/95/17/63/645951763.db2.gz FDONEMVRNORUAX-HLTSFMKQSA-N 1 0 216.281 -1.062 20 0 BAADRO CC[N@H+](C[C@H](O)[C@@H](C)O)[C@H]1CCNC1=O ZINC000930325850 645951626 /nfs/dbraw/zinc/95/16/26/645951626.db2.gz FDONEMVRNORUAX-VGMNWLOBSA-N 1 0 216.281 -1.062 20 0 BAADRO CC[N@H+](C[C@H](O)[C@H](C)O)[C@@H]1CCNC1=O ZINC000930325854 645951909 /nfs/dbraw/zinc/95/19/09/645951909.db2.gz FDONEMVRNORUAX-YIZRAAEISA-N 1 0 216.281 -1.062 20 0 BAADRO C[C@H](O)[C@H](O)C[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000930328659 639713334 /nfs/dbraw/zinc/71/33/34/639713334.db2.gz WOOIDBGDBXOHHG-BZNPZCIMSA-N 1 0 216.281 -1.158 20 0 BAADRO C[C@H](O)[C@H](O)C[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000930328660 639711376 /nfs/dbraw/zinc/71/13/76/639711376.db2.gz WOOIDBGDBXOHHG-MAUMQABQSA-N 1 0 216.281 -1.158 20 0 BAADRO C[C@H](O)[C@H](O)C[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000930328661 639713217 /nfs/dbraw/zinc/71/32/17/639713217.db2.gz WOOIDBGDBXOHHG-RBXMUDONSA-N 1 0 216.281 -1.158 20 0 BAADRO C[C@H](O)[C@H](O)C[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000930328662 639713986 /nfs/dbraw/zinc/71/39/86/639713986.db2.gz WOOIDBGDBXOHHG-XAVMHZPKSA-N 1 0 216.281 -1.158 20 0 BAADRO C[C@@H](O)[C@@H](O)C[N@H+](C)CCOCCO ZINC000930340838 639714423 /nfs/dbraw/zinc/71/44/23/639714423.db2.gz OVLKAANUIWRQNX-BDAKNGLRSA-N 1 0 207.270 -1.331 20 0 BAADRO C[C@H](O)[C@H](O)C[N@H+](C)CCOCCO ZINC000930340839 639716585 /nfs/dbraw/zinc/71/65/85/639716585.db2.gz OVLKAANUIWRQNX-DTWKUNHWSA-N 1 0 207.270 -1.331 20 0 BAADRO C[C@H](O)[C@@H](O)C[N@H+](C)CCOCCO ZINC000930340840 639716983 /nfs/dbraw/zinc/71/69/83/639716983.db2.gz OVLKAANUIWRQNX-IUCAKERBSA-N 1 0 207.270 -1.331 20 0 BAADRO C[C@@H](O)[C@H](O)C[N@H+](C)CCOCCO ZINC000930340841 639715971 /nfs/dbraw/zinc/71/59/71/639715971.db2.gz OVLKAANUIWRQNX-RKDXNWHRSA-N 1 0 207.270 -1.331 20 0 BAADRO CCC[N@H+](C[C@@H](O)CO)[C@H]1CC(=O)N(C)C1=O ZINC000930348112 639718610 /nfs/dbraw/zinc/71/86/10/639718610.db2.gz XVZZGILFSHAXDR-BDAKNGLRSA-N 1 0 244.291 -1.191 20 0 BAADRO CCC[N@H+](C[C@@H](O)CO)[C@@H]1CC(=O)N(C)C1=O ZINC000930348113 639719619 /nfs/dbraw/zinc/71/96/19/639719619.db2.gz XVZZGILFSHAXDR-RKDXNWHRSA-N 1 0 244.291 -1.191 20 0 BAADRO CCC[N@H+](C[C@H](O)CO)[C@@H]1CC(=O)N(C)C1=O ZINC000930348351 639720311 /nfs/dbraw/zinc/72/03/11/639720311.db2.gz XVZZGILFSHAXDR-DTWKUNHWSA-N 1 0 244.291 -1.191 20 0 BAADRO CCC[N@H+](C[C@H](O)CO)[C@H]1CC(=O)N(C)C1=O ZINC000930348352 639719479 /nfs/dbraw/zinc/71/94/79/639719479.db2.gz XVZZGILFSHAXDR-IUCAKERBSA-N 1 0 244.291 -1.191 20 0 BAADRO C[C@H](O)[C@H](O)CN1C[C@@H]2COC[C@H](C1)O2 ZINC000930353211 639721497 /nfs/dbraw/zinc/72/14/97/639721497.db2.gz MDPNBVVDEFMECK-AXTSPUMRSA-N 1 0 217.265 -1.172 20 0 BAADRO C[C@@H](O)[C@H](O)CN1C[C@@H]2COC[C@H](C1)O2 ZINC000930353212 639724166 /nfs/dbraw/zinc/72/41/66/639724166.db2.gz MDPNBVVDEFMECK-DOLQZWNJSA-N 1 0 217.265 -1.172 20 0 BAADRO C[C@@H](O)[C@@H](O)CN1C[C@@H]2COC[C@H](C1)O2 ZINC000930353213 639725968 /nfs/dbraw/zinc/72/59/68/639725968.db2.gz MDPNBVVDEFMECK-IMSYWVGJSA-N 1 0 217.265 -1.172 20 0 BAADRO C[C@H](O)[C@@H](O)CN1C[C@@H]2COC[C@H](C1)O2 ZINC000930353214 639726712 /nfs/dbraw/zinc/72/67/12/639726712.db2.gz MDPNBVVDEFMECK-QEYWKRMJSA-N 1 0 217.265 -1.172 20 0 BAADRO CON1CC[C@@H]([N@H+](C)CCC(N)=O)C1=O ZINC000930471150 639766762 /nfs/dbraw/zinc/76/67/62/639766762.db2.gz MPNXXKAIVZUANY-SSDOTTSWSA-N 1 0 215.253 -1.044 20 0 BAADRO CON1CC[C@H]([N@H+](C)CCC(N)=O)C1=O ZINC000930471172 639767731 /nfs/dbraw/zinc/76/77/31/639767731.db2.gz MPNXXKAIVZUANY-ZETCQYMHSA-N 1 0 215.253 -1.044 20 0 BAADRO COC(=O)C[C@@H]1COCCN1C[C@H](O)[C@H](C)O ZINC000930488364 639777504 /nfs/dbraw/zinc/77/75/04/639777504.db2.gz OXALGVFSBHCNOP-AEJSXWLSSA-N 1 0 247.291 -1.008 20 0 BAADRO COC(=O)C[C@@H]1COCCN1C[C@H](O)[C@@H](C)O ZINC000930488366 639779412 /nfs/dbraw/zinc/77/94/12/639779412.db2.gz OXALGVFSBHCNOP-BBBLOLIVSA-N 1 0 247.291 -1.008 20 0 BAADRO COC(=O)C[C@@H]1COCCN1C[C@@H](O)[C@H](C)O ZINC000930488367 639778089 /nfs/dbraw/zinc/77/80/89/639778089.db2.gz OXALGVFSBHCNOP-IVZWLZJFSA-N 1 0 247.291 -1.008 20 0 BAADRO COC(=O)C[C@@H]1COCCN1C[C@@H](O)[C@@H](C)O ZINC000930488369 639777710 /nfs/dbraw/zinc/77/77/10/639777710.db2.gz OXALGVFSBHCNOP-OPRDCNLKSA-N 1 0 247.291 -1.008 20 0 BAADRO C[C@H](O)[C@@H](O)C[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000930496623 639780992 /nfs/dbraw/zinc/78/09/92/639780992.db2.gz FWLBDPDUVXWCLY-CIUDSAMLSA-N 1 0 216.281 -1.075 20 0 BAADRO C[C@H](O)[C@H](O)C[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000930496624 639781557 /nfs/dbraw/zinc/78/15/57/639781557.db2.gz FWLBDPDUVXWCLY-DJLDLDEBSA-N 1 0 216.281 -1.075 20 0 BAADRO C[C@H](O)[C@H](O)C[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000930496625 639782603 /nfs/dbraw/zinc/78/26/03/639782603.db2.gz FWLBDPDUVXWCLY-XHNCKOQMSA-N 1 0 216.281 -1.075 20 0 BAADRO C[C@H](O)[C@@H](O)C[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000930496626 639781944 /nfs/dbraw/zinc/78/19/44/639781944.db2.gz FWLBDPDUVXWCLY-YIZRAAEISA-N 1 0 216.281 -1.075 20 0 BAADRO C[C@H](O)C[N@H+](CCO)C[C@H](O)[C@H](C)O ZINC000930508923 639791825 /nfs/dbraw/zinc/79/18/25/639791825.db2.gz FMJULCJPWHMLPL-CIUDSAMLSA-N 1 0 207.270 -1.597 20 0 BAADRO C[C@@H](O)[C@H](O)C[N@@H+](CCO)C[C@H](C)O ZINC000930508927 639792755 /nfs/dbraw/zinc/79/27/55/639792755.db2.gz FMJULCJPWHMLPL-DJLDLDEBSA-N 1 0 207.270 -1.597 20 0 BAADRO C[C@H](O)C[N@H+](CCO)C[C@@H](O)[C@H](C)O ZINC000930508928 639790599 /nfs/dbraw/zinc/79/05/99/639790599.db2.gz FMJULCJPWHMLPL-XHNCKOQMSA-N 1 0 207.270 -1.597 20 0 BAADRO C[C@@H](O)[C@@H](O)C[N@@H+](CCO)C[C@H](C)O ZINC000930508929 639791838 /nfs/dbraw/zinc/79/18/38/639791838.db2.gz FMJULCJPWHMLPL-YIZRAAEISA-N 1 0 207.270 -1.597 20 0 BAADRO C[C@@H](O)C[N@H+](CCO)C[C@@H](O)C1(O)CCC1 ZINC000930511609 639791050 /nfs/dbraw/zinc/79/10/50/639791050.db2.gz FXFUZOYGKXYXSQ-NXEZZACHSA-N 1 0 233.308 -1.063 20 0 BAADRO C[C@H](O)C[N@H+](CCO)C[C@H](O)C1(O)CCC1 ZINC000930511614 639790495 /nfs/dbraw/zinc/79/04/95/639790495.db2.gz FXFUZOYGKXYXSQ-UWVGGRQHSA-N 1 0 233.308 -1.063 20 0 BAADRO C[C@H](O)C[N@H+](CCO)C[C@@H](O)C1(O)CCC1 ZINC000930511616 639792610 /nfs/dbraw/zinc/79/26/10/639792610.db2.gz FXFUZOYGKXYXSQ-VHSXEESVSA-N 1 0 233.308 -1.063 20 0 BAADRO C[C@@H](O)C[N@H+](CCO)C[C@H](O)C1(O)CCC1 ZINC000930511617 639791370 /nfs/dbraw/zinc/79/13/70/639791370.db2.gz FXFUZOYGKXYXSQ-ZJUUUORDSA-N 1 0 233.308 -1.063 20 0 BAADRO COC(=O)[C@H]1[C@@H]2C[N@@H+](C[C@@H](O)CO)C[C@@H]21 ZINC000930543672 639808550 /nfs/dbraw/zinc/80/85/50/639808550.db2.gz CAGQLYRKZRDZEE-HXFLIBJXSA-N 1 0 215.249 -1.310 20 0 BAADRO COC(=O)[C@H]1[C@@H]2C[N@@H+](C[C@H](O)CO)C[C@@H]21 ZINC000930543673 639807619 /nfs/dbraw/zinc/80/76/19/639807619.db2.gz CAGQLYRKZRDZEE-RBXMUDONSA-N 1 0 215.249 -1.310 20 0 BAADRO CCC[N@@H+](CC(N)=O)C[C@@H](O)[C@@H](C)O ZINC000930558794 639811053 /nfs/dbraw/zinc/81/10/53/639811053.db2.gz FMTROGBFPGUBRN-HTQZYQBOSA-N 1 0 204.270 -1.075 20 0 BAADRO CCC[N@@H+](CC(N)=O)C[C@@H](O)[C@H](C)O ZINC000930558795 639810873 /nfs/dbraw/zinc/81/08/73/639810873.db2.gz FMTROGBFPGUBRN-JGVFFNPUSA-N 1 0 204.270 -1.075 20 0 BAADRO CCC[N@@H+](CC(N)=O)C[C@H](O)[C@@H](C)O ZINC000930558797 639810896 /nfs/dbraw/zinc/81/08/96/639810896.db2.gz FMTROGBFPGUBRN-SFYZADRCSA-N 1 0 204.270 -1.075 20 0 BAADRO CCC[N@@H+](CC(N)=O)C[C@H](O)[C@H](C)O ZINC000930558798 639810802 /nfs/dbraw/zinc/81/08/02/639810802.db2.gz FMTROGBFPGUBRN-YUMQZZPRSA-N 1 0 204.270 -1.075 20 0 BAADRO CN1C[C@H]([N@H+](C)C[C@H](O)CO)CCC1=O ZINC000930564994 639811594 /nfs/dbraw/zinc/81/15/94/639811594.db2.gz QYEXVJGDHIYRBF-BDAKNGLRSA-N 1 0 216.281 -1.108 20 0 BAADRO CN1C[C@@H]([N@H+](C)C[C@@H](O)CO)CCC1=O ZINC000930564996 639811303 /nfs/dbraw/zinc/81/13/03/639811303.db2.gz QYEXVJGDHIYRBF-DTWKUNHWSA-N 1 0 216.281 -1.108 20 0 BAADRO CN1C[C@@H]([N@H+](C)C[C@H](O)CO)CCC1=O ZINC000930564998 639811358 /nfs/dbraw/zinc/81/13/58/639811358.db2.gz QYEXVJGDHIYRBF-IUCAKERBSA-N 1 0 216.281 -1.108 20 0 BAADRO CN1C[C@H]([N@H+](C)C[C@@H](O)CO)CCC1=O ZINC000930564999 639811711 /nfs/dbraw/zinc/81/17/11/639811711.db2.gz QYEXVJGDHIYRBF-RKDXNWHRSA-N 1 0 216.281 -1.108 20 0 BAADRO COC[C@@H](C(N)=O)N(C)C[C@@H](O)[C@H](C)O ZINC000930575731 639813160 /nfs/dbraw/zinc/81/31/60/639813160.db2.gz RJWBQQSRMSAGLQ-BIIVOSGPSA-N 1 0 220.269 -1.840 20 0 BAADRO COC[C@@H](C(N)=O)N(C)C[C@H](O)[C@@H](C)O ZINC000930575732 639813265 /nfs/dbraw/zinc/81/32/65/639813265.db2.gz RJWBQQSRMSAGLQ-CSMHCCOUSA-N 1 0 220.269 -1.840 20 0 BAADRO COC[C@@H](C(N)=O)N(C)C[C@H](O)[C@H](C)O ZINC000930575733 639812965 /nfs/dbraw/zinc/81/29/65/639812965.db2.gz RJWBQQSRMSAGLQ-FXQIFTODSA-N 1 0 220.269 -1.840 20 0 BAADRO COC[C@@H](C(N)=O)N(C)C[C@@H](O)[C@@H](C)O ZINC000930575734 639813086 /nfs/dbraw/zinc/81/30/86/639813086.db2.gz RJWBQQSRMSAGLQ-GJMOJQLCSA-N 1 0 220.269 -1.840 20 0 BAADRO COC[C@@H](C(N)=O)N(C)C[C@@H](O)C1(O)CCC1 ZINC000930576289 639812973 /nfs/dbraw/zinc/81/29/73/639812973.db2.gz XBPYVLNQIHYAAX-DTWKUNHWSA-N 1 0 246.307 -1.306 20 0 BAADRO COC[C@@H](C(N)=O)N(C)C[C@H](O)C1(O)CCC1 ZINC000930576290 639813004 /nfs/dbraw/zinc/81/30/04/639813004.db2.gz XBPYVLNQIHYAAX-IUCAKERBSA-N 1 0 246.307 -1.306 20 0 BAADRO C[C@H](O)[C@@H](O)C[N@H+](C)C(C)(C)C(N)=O ZINC000930597503 639816371 /nfs/dbraw/zinc/81/63/71/639816371.db2.gz XFYYUWCXJOMZMH-BQBZGAKWSA-N 1 0 204.270 -1.076 20 0 BAADRO C[C@H](O)[C@H](O)C[N@H+](C)C(C)(C)C(N)=O ZINC000930597504 639816457 /nfs/dbraw/zinc/81/64/57/639816457.db2.gz XFYYUWCXJOMZMH-NKWVEPMBSA-N 1 0 204.270 -1.076 20 0 BAADRO C[C@@H](O)[C@H](O)C[N@H+](C)C(C)(C)C(N)=O ZINC000930597505 639816108 /nfs/dbraw/zinc/81/61/08/639816108.db2.gz XFYYUWCXJOMZMH-RNFRBKRXSA-N 1 0 204.270 -1.076 20 0 BAADRO C[C@@H](O)[C@@H](O)C[N@H+](C)C(C)(C)C(N)=O ZINC000930597506 639816005 /nfs/dbraw/zinc/81/60/05/639816005.db2.gz XFYYUWCXJOMZMH-RQJHMYQMSA-N 1 0 204.270 -1.076 20 0 BAADRO C[N@H+](C[C@H](O)CO)[C@@H]1CCN2CCO[C@H]1C2 ZINC000930598596 639816469 /nfs/dbraw/zinc/81/64/69/639816469.db2.gz PMPFHZKDBPSIIO-AXFHLTTASA-N 1 0 230.308 -1.256 20 0 BAADRO C[N@H+](C[C@H](O)CO)[C@H]1CCN2CCO[C@H]1C2 ZINC000930598597 639816139 /nfs/dbraw/zinc/81/61/39/639816139.db2.gz PMPFHZKDBPSIIO-DCAQKATOSA-N 1 0 230.308 -1.256 20 0 BAADRO C[N@H+](C[C@@H](O)CO)[C@@H]1CCN2CCO[C@H]1C2 ZINC000930598598 639816230 /nfs/dbraw/zinc/81/62/30/639816230.db2.gz PMPFHZKDBPSIIO-MXWKQRLJSA-N 1 0 230.308 -1.256 20 0 BAADRO C[N@H+](C[C@@H](O)CO)[C@H]1CCN2CCO[C@H]1C2 ZINC000930598599 639816077 /nfs/dbraw/zinc/81/60/77/639816077.db2.gz PMPFHZKDBPSIIO-VWYCJHECSA-N 1 0 230.308 -1.256 20 0 BAADRO CC1(C)CN(C(=O)C[NH2+]C(CO)CO)CCO1 ZINC000930624877 639828384 /nfs/dbraw/zinc/82/83/84/639828384.db2.gz IRSBVAIJUFFCFD-UHFFFAOYSA-N 1 0 246.307 -1.433 20 0 BAADRO OCC(CO)[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000930626036 639828188 /nfs/dbraw/zinc/82/81/88/639828188.db2.gz PZNSLVFQGDIQDA-MRVPVSSYSA-N 1 0 205.254 -1.795 20 0 BAADRO OCC(CO)[NH2+]C[C@H](O)C1(O)CCC1 ZINC000930626037 639829333 /nfs/dbraw/zinc/82/93/33/639829333.db2.gz PZNSLVFQGDIQDA-QMMMGPOBSA-N 1 0 205.254 -1.795 20 0 BAADRO CCOCCOCC[NH2+]C(CO)CO ZINC000930626467 639831093 /nfs/dbraw/zinc/83/10/93/639831093.db2.gz WBPVLNPROXSLKM-UHFFFAOYSA-N 1 0 207.270 -1.018 20 0 BAADRO OCC(CO)[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000930626480 639830716 /nfs/dbraw/zinc/83/07/16/639830716.db2.gz WQFIUXARDHSKAF-SECBINFHSA-N 1 0 219.281 -1.405 20 0 BAADRO OCC(CO)[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000930626529 639830418 /nfs/dbraw/zinc/83/04/18/639830418.db2.gz WQFIUXARDHSKAF-VIFPVBQESA-N 1 0 219.281 -1.405 20 0 BAADRO OCC(CO)[NH2+]C[C@H]1CCC2(COC2)O1 ZINC000930626580 639830709 /nfs/dbraw/zinc/83/07/09/639830709.db2.gz XMIRDXNILMTWHU-SECBINFHSA-N 1 0 217.265 -1.123 20 0 BAADRO OCC(CO)[NH2+]C[C@@H]1CCC2(COC2)O1 ZINC000930626583 639831011 /nfs/dbraw/zinc/83/10/11/639831011.db2.gz XMIRDXNILMTWHU-VIFPVBQESA-N 1 0 217.265 -1.123 20 0 BAADRO CC[C@@H](CO)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000930639547 639836860 /nfs/dbraw/zinc/83/68/60/639836860.db2.gz JTCIFUAPJAGSNP-BIIVOSGPSA-N 1 0 212.249 -1.038 20 0 BAADRO CC[C@H](CO)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000930639551 639838232 /nfs/dbraw/zinc/83/82/32/639838232.db2.gz JTCIFUAPJAGSNP-PRJMDXOYSA-N 1 0 212.249 -1.038 20 0 BAADRO COCC(COC)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000930640143 639836958 /nfs/dbraw/zinc/83/69/58/639836958.db2.gz NGMQDJZQUUHOKM-DTORHVGOSA-N 1 0 242.275 -1.148 20 0 BAADRO CO[C@@H]1C[N@H+](C[C@H](O)[C@@H](C)O)C[C@H]1O ZINC000930648022 639843471 /nfs/dbraw/zinc/84/34/71/639843471.db2.gz FGYUBXLETOSEPC-BZNPZCIMSA-N 1 0 205.254 -1.580 20 0 BAADRO CO[C@@H]1C[N@H+](C[C@@H](O)[C@@H](C)O)C[C@H]1O ZINC000930648023 639842449 /nfs/dbraw/zinc/84/24/49/639842449.db2.gz FGYUBXLETOSEPC-FNCVBFRFSA-N 1 0 205.254 -1.580 20 0 BAADRO CO[C@@H]1C[N@H+](C[C@@H](O)[C@H](C)O)C[C@H]1O ZINC000930648025 639843448 /nfs/dbraw/zinc/84/34/48/639843448.db2.gz FGYUBXLETOSEPC-JQCXWYLXSA-N 1 0 205.254 -1.580 20 0 BAADRO CO[C@@H]1C[N@H+](C[C@H](O)[C@H](C)O)C[C@H]1O ZINC000930648027 639843223 /nfs/dbraw/zinc/84/32/23/639843223.db2.gz FGYUBXLETOSEPC-RBXMUDONSA-N 1 0 205.254 -1.580 20 0 BAADRO CCOC(=O)[C@](C)(O)C[N@@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000930648588 639843704 /nfs/dbraw/zinc/84/37/04/639843704.db2.gz NRWVDBGYAUYQPI-FXPVBKGRSA-N 1 0 247.291 -1.008 20 0 BAADRO CCOC(=O)[C@@](C)(O)C[N@@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000930648589 639843208 /nfs/dbraw/zinc/84/32/08/639843208.db2.gz NRWVDBGYAUYQPI-KKZNHRDASA-N 1 0 247.291 -1.008 20 0 BAADRO C[C@@H](O)[C@H](O)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000930650528 639844879 /nfs/dbraw/zinc/84/48/79/639844879.db2.gz NEQZPGCNNMVZGP-BWZBUEFSSA-N 1 0 202.254 -1.322 20 0 BAADRO C[C@@H](O)[C@@H](O)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000930650529 639826056 /nfs/dbraw/zinc/82/60/56/639826056.db2.gz NEQZPGCNNMVZGP-PRJMDXOYSA-N 1 0 202.254 -1.322 20 0 BAADRO C[C@H](O)[C@@H](O)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000930650530 639828221 /nfs/dbraw/zinc/82/82/21/639828221.db2.gz NEQZPGCNNMVZGP-RNJXMRFFSA-N 1 0 202.254 -1.322 20 0 BAADRO C[C@H](O)[C@H](O)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000930650531 639829352 /nfs/dbraw/zinc/82/93/52/639829352.db2.gz NEQZPGCNNMVZGP-XLPZGREQSA-N 1 0 202.254 -1.322 20 0 BAADRO CO[C@@H]1C[N@H+](C[C@H](O)C2(O)CCC2)C[C@H]1O ZINC000930651824 639844685 /nfs/dbraw/zinc/84/46/85/639844685.db2.gz CFYDJINUORHARZ-BBBLOLIVSA-N 1 0 231.292 -1.046 20 0 BAADRO CO[C@@H]1C[N@H+](C[C@@H](O)C2(O)CCC2)C[C@H]1O ZINC000930651825 639845743 /nfs/dbraw/zinc/84/57/43/639845743.db2.gz CFYDJINUORHARZ-OPRDCNLKSA-N 1 0 231.292 -1.046 20 0 BAADRO C[C@@H]1[C@H](O)CC[N@@H+]1CC(=O)NC(N)=O ZINC000930653448 639828625 /nfs/dbraw/zinc/82/86/25/639828625.db2.gz YVWOVDMIUAOECS-PHDIDXHHSA-N 1 0 201.226 -1.364 20 0 BAADRO C[C@@H]1C[C@H](O)C[N@H+](CCS(N)(=O)=O)C1 ZINC000930669422 634011189 /nfs/dbraw/zinc/01/11/89/634011189.db2.gz ACEQDYVGCCJZLW-SFYZADRCSA-N 1 0 222.310 -1.022 20 0 BAADRO CCOC(=O)[C@](C)(O)C[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC000930698982 639866415 /nfs/dbraw/zinc/86/64/15/639866415.db2.gz CUEDFNPRBRPTQL-ATZCPNFKSA-N 1 0 247.291 -1.415 20 0 BAADRO CCOC(=O)[C@](C)(O)C[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC000930698983 639865713 /nfs/dbraw/zinc/86/57/13/639865713.db2.gz CUEDFNPRBRPTQL-FXPVBKGRSA-N 1 0 247.291 -1.415 20 0 BAADRO OC[C@@H]1C[N@H+](C[C@H](O)C2(O)CCCC2)C[C@H]1O ZINC000930700003 639866690 /nfs/dbraw/zinc/86/66/90/639866690.db2.gz MEGWGJCZUXJVCB-AXFHLTTASA-N 1 0 245.319 -1.063 20 0 BAADRO OC[C@@H]1C[N@H+](C[C@H](O)C2(O)CCCC2)C[C@@H]1O ZINC000930700007 639866391 /nfs/dbraw/zinc/86/63/91/639866391.db2.gz MEGWGJCZUXJVCB-DCAQKATOSA-N 1 0 245.319 -1.063 20 0 BAADRO OC[C@@H]1C[N@H+](C[C@@H](O)C2(O)CCCC2)C[C@@H]1O ZINC000930700011 639866243 /nfs/dbraw/zinc/86/62/43/639866243.db2.gz MEGWGJCZUXJVCB-GARJFASQSA-N 1 0 245.319 -1.063 20 0 BAADRO OC[C@@H]1C[N@H+](C[C@@H](O)C2(O)CCCC2)C[C@H]1O ZINC000930700015 634047150 /nfs/dbraw/zinc/04/71/50/634047150.db2.gz MEGWGJCZUXJVCB-HBNTYKKESA-N 1 0 245.319 -1.063 20 0 BAADRO OCCOCC[N@H+](CCO)C[C@@H]1COCCO1 ZINC000930702670 639869246 /nfs/dbraw/zinc/86/92/46/639869246.db2.gz AXXKFDGVWBUARH-LLVKDONJSA-N 1 0 249.307 -1.295 20 0 BAADRO OCCOCC[N@H+](CCO)C[C@H]1COCCO1 ZINC000930702671 639869591 /nfs/dbraw/zinc/86/95/91/639869591.db2.gz AXXKFDGVWBUARH-NSHDSACASA-N 1 0 249.307 -1.295 20 0 BAADRO C[C@@H](O)[C@H](O)C[N@H+](CCO)CCOCCO ZINC000930705479 639871054 /nfs/dbraw/zinc/87/10/54/639871054.db2.gz RGTYHTLSNUVAHP-NXEZZACHSA-N 1 0 237.296 -1.969 20 0 BAADRO C[C@H](O)[C@@H](O)C[N@H+](CCO)CCOCCO ZINC000930705483 639871232 /nfs/dbraw/zinc/87/12/32/639871232.db2.gz RGTYHTLSNUVAHP-UWVGGRQHSA-N 1 0 237.296 -1.969 20 0 BAADRO C[C@H](O)[C@H](O)C[N@H+](CCO)CCOCCO ZINC000930705484 639870990 /nfs/dbraw/zinc/87/09/90/639870990.db2.gz RGTYHTLSNUVAHP-VHSXEESVSA-N 1 0 237.296 -1.969 20 0 BAADRO C[C@@H](O)[C@@H](O)C[N@H+](CCO)CCOCCO ZINC000930705485 639872010 /nfs/dbraw/zinc/87/20/10/639872010.db2.gz RGTYHTLSNUVAHP-ZJUUUORDSA-N 1 0 237.296 -1.969 20 0 BAADRO CO[C@@H]1COC[C@@H]1[NH2+]C[C@@H](O)[C@@H](C)O ZINC000930706054 639872738 /nfs/dbraw/zinc/87/27/38/639872738.db2.gz YFWZHBBHJYDCLT-BZNPZCIMSA-N 1 0 205.254 -1.269 20 0 BAADRO CO[C@@H]1COC[C@@H]1[NH2+]C[C@@H](O)[C@H](C)O ZINC000930706055 639873407 /nfs/dbraw/zinc/87/34/07/639873407.db2.gz YFWZHBBHJYDCLT-RBXMUDONSA-N 1 0 205.254 -1.269 20 0 BAADRO CO[C@@H]1COC[C@@H]1[NH2+]C[C@H](O)[C@@H](C)O ZINC000930706056 639873925 /nfs/dbraw/zinc/87/39/25/639873925.db2.gz YFWZHBBHJYDCLT-RYPBNFRJSA-N 1 0 205.254 -1.269 20 0 BAADRO CO[C@@H]1COC[C@@H]1[NH2+]C[C@H](O)[C@H](C)O ZINC000930706057 639873233 /nfs/dbraw/zinc/87/32/33/639873233.db2.gz YFWZHBBHJYDCLT-XSPKLOCKSA-N 1 0 205.254 -1.269 20 0 BAADRO COC(=O)[C@@H]1CN(C)CC[N@H+](C[C@@H](O)CO)C1 ZINC000930713545 639875324 /nfs/dbraw/zinc/87/53/24/639875324.db2.gz IUPFAOCDOCYMCA-NXEZZACHSA-N 1 0 246.307 -1.624 20 0 BAADRO COC(=O)[C@H]1CN(C)CC[N@H+](C[C@H](O)CO)C1 ZINC000930713546 639874855 /nfs/dbraw/zinc/87/48/55/639874855.db2.gz IUPFAOCDOCYMCA-UWVGGRQHSA-N 1 0 246.307 -1.624 20 0 BAADRO COC(=O)[C@H]1CN(C)CC[N@H+](C[C@@H](O)CO)C1 ZINC000930713547 639875641 /nfs/dbraw/zinc/87/56/41/639875641.db2.gz IUPFAOCDOCYMCA-VHSXEESVSA-N 1 0 246.307 -1.624 20 0 BAADRO COC(=O)[C@@H]1CN(C)CC[N@H+](C[C@H](O)CO)C1 ZINC000930713548 639875076 /nfs/dbraw/zinc/87/50/76/639875076.db2.gz IUPFAOCDOCYMCA-ZJUUUORDSA-N 1 0 246.307 -1.624 20 0 BAADRO CN(C)C(=O)[C@@H]1CC[N@H+](C[C@H](O)CO)C1 ZINC000930715806 639874549 /nfs/dbraw/zinc/87/45/49/639874549.db2.gz KOGNDDDVHDJSNG-BDAKNGLRSA-N 1 0 216.281 -1.250 20 0 BAADRO CN(C)C(=O)[C@H]1CC[N@H+](C[C@@H](O)CO)C1 ZINC000930715807 639875925 /nfs/dbraw/zinc/87/59/25/639875925.db2.gz KOGNDDDVHDJSNG-DTWKUNHWSA-N 1 0 216.281 -1.250 20 0 BAADRO CN(C)C(=O)[C@H]1CC[N@H+](C[C@H](O)CO)C1 ZINC000930715809 639876005 /nfs/dbraw/zinc/87/60/05/639876005.db2.gz KOGNDDDVHDJSNG-IUCAKERBSA-N 1 0 216.281 -1.250 20 0 BAADRO CN(C)C(=O)[C@@H]1CC[N@H+](C[C@@H](O)CO)C1 ZINC000930715811 639875199 /nfs/dbraw/zinc/87/51/99/639875199.db2.gz KOGNDDDVHDJSNG-RKDXNWHRSA-N 1 0 216.281 -1.250 20 0 BAADRO C[C@H](O)[C@@H](O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000930810107 634110674 /nfs/dbraw/zinc/11/06/74/634110674.db2.gz OJUPJRMFSRUVNJ-BQBZGAKWSA-N 1 0 202.254 -1.465 20 0 BAADRO C[C@H](O)[C@H](O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000930810108 634110309 /nfs/dbraw/zinc/11/03/09/634110309.db2.gz OJUPJRMFSRUVNJ-NKWVEPMBSA-N 1 0 202.254 -1.465 20 0 BAADRO C[C@@H](O)[C@H](O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000930810109 634111105 /nfs/dbraw/zinc/11/11/05/634111105.db2.gz OJUPJRMFSRUVNJ-RNFRBKRXSA-N 1 0 202.254 -1.465 20 0 BAADRO C[C@@H](O)[C@@H](O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000930810110 634110859 /nfs/dbraw/zinc/11/08/59/634110859.db2.gz OJUPJRMFSRUVNJ-RQJHMYQMSA-N 1 0 202.254 -1.465 20 0 BAADRO CC(=O)NCC[N@@H+](C)C[C@H](O)[C@@H](C)O ZINC000930819957 639921012 /nfs/dbraw/zinc/92/10/12/639921012.db2.gz MDZXSXOWOGDWFN-APPZFPTMSA-N 1 0 204.270 -1.204 20 0 BAADRO CC(=O)NCC[N@@H+](C)C[C@H](O)[C@H](C)O ZINC000930819958 639923372 /nfs/dbraw/zinc/92/33/72/639923372.db2.gz MDZXSXOWOGDWFN-CBAPKCEASA-N 1 0 204.270 -1.204 20 0 BAADRO CC(=O)NCC[N@@H+](C)C[C@@H](O)[C@H](C)O ZINC000930819959 639922181 /nfs/dbraw/zinc/92/21/81/639922181.db2.gz MDZXSXOWOGDWFN-IONNQARKSA-N 1 0 204.270 -1.204 20 0 BAADRO CC(=O)NCC[N@@H+](C)C[C@@H](O)[C@@H](C)O ZINC000930819960 639915402 /nfs/dbraw/zinc/91/54/02/639915402.db2.gz MDZXSXOWOGDWFN-VXNVDRBHSA-N 1 0 204.270 -1.204 20 0 BAADRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](C[C@@H](O)[C@@H](C)O)C1 ZINC000930824176 711704453 /nfs/dbraw/zinc/70/44/53/711704453.db2.gz AZAQCWADZNBYLI-DOLQZWNJSA-N 1 0 247.291 -1.416 20 0 BAADRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](C[C@H](O)[C@@H](C)O)C1 ZINC000930824180 711704532 /nfs/dbraw/zinc/70/45/32/711704532.db2.gz AZAQCWADZNBYLI-IMSYWVGJSA-N 1 0 247.291 -1.416 20 0 BAADRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](C[C@H](O)[C@H](C)O)C1 ZINC000930824181 711704556 /nfs/dbraw/zinc/70/45/56/711704556.db2.gz AZAQCWADZNBYLI-JXUBOQSCSA-N 1 0 247.291 -1.416 20 0 BAADRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](C[C@@H](O)[C@H](C)O)C1 ZINC000930824182 711704565 /nfs/dbraw/zinc/70/45/65/711704565.db2.gz AZAQCWADZNBYLI-QCLAVDOMSA-N 1 0 247.291 -1.416 20 0 BAADRO COC(=O)[C@H]1C[C@H](O)C[N@H+](C[C@H](O)CO)C1 ZINC000930825540 639927628 /nfs/dbraw/zinc/92/76/28/639927628.db2.gz LXJZLXVCXHSECU-CIUDSAMLSA-N 1 0 233.264 -1.805 20 0 BAADRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](C[C@@H](O)CO)C1 ZINC000930825541 639928626 /nfs/dbraw/zinc/92/86/26/639928626.db2.gz LXJZLXVCXHSECU-DJLDLDEBSA-N 1 0 233.264 -1.805 20 0 BAADRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](C[C@H](O)CO)C1 ZINC000930825542 639927921 /nfs/dbraw/zinc/92/79/21/639927921.db2.gz LXJZLXVCXHSECU-HLTSFMKQSA-N 1 0 233.264 -1.805 20 0 BAADRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](C[C@@H](O)CO)C1 ZINC000930825543 639927127 /nfs/dbraw/zinc/92/71/27/639927127.db2.gz LXJZLXVCXHSECU-HRDYMLBCSA-N 1 0 233.264 -1.805 20 0 BAADRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](C[C@@H](O)CO)C1 ZINC000930825544 639926710 /nfs/dbraw/zinc/92/67/10/639926710.db2.gz LXJZLXVCXHSECU-IWSPIJDZSA-N 1 0 233.264 -1.805 20 0 BAADRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](C[C@H](O)CO)C1 ZINC000930825545 639928539 /nfs/dbraw/zinc/92/85/39/639928539.db2.gz LXJZLXVCXHSECU-VGMNWLOBSA-N 1 0 233.264 -1.805 20 0 BAADRO COC(=O)[C@H]1C[C@H](O)C[N@H+](C[C@@H](O)CO)C1 ZINC000930825546 639929211 /nfs/dbraw/zinc/92/92/11/639929211.db2.gz LXJZLXVCXHSECU-XHNCKOQMSA-N 1 0 233.264 -1.805 20 0 BAADRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](C[C@H](O)CO)C1 ZINC000930825547 639927337 /nfs/dbraw/zinc/92/73/37/639927337.db2.gz LXJZLXVCXHSECU-YIZRAAEISA-N 1 0 233.264 -1.805 20 0 BAADRO COC[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](C)O ZINC000930847666 639944758 /nfs/dbraw/zinc/94/47/58/639944758.db2.gz BDGWAVRUFALAKY-AXTSPUMRSA-N 1 0 219.281 -1.190 20 0 BAADRO COC[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)[C@H](C)O ZINC000930847667 639944047 /nfs/dbraw/zinc/94/40/47/639944047.db2.gz BDGWAVRUFALAKY-QEYWKRMJSA-N 1 0 219.281 -1.190 20 0 BAADRO COC[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)[C@@H](C)O ZINC000930847668 639945852 /nfs/dbraw/zinc/94/58/52/639945852.db2.gz BDGWAVRUFALAKY-RGOKHQFPSA-N 1 0 219.281 -1.190 20 0 BAADRO COC[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@@H](C)O ZINC000930847669 639944293 /nfs/dbraw/zinc/94/42/93/639944293.db2.gz BDGWAVRUFALAKY-UTINFBMNSA-N 1 0 219.281 -1.190 20 0 BAADRO C[NH+](C)CCN1CCN(C[C@H](O)CO)CC1=O ZINC000930851226 639945059 /nfs/dbraw/zinc/94/50/59/639945059.db2.gz YKWSWCFLUYPWAR-JTQLQIEISA-N 1 0 245.323 -1.955 20 0 BAADRO C[NH+](C)CCN1CCN(C[C@@H](O)CO)CC1=O ZINC000930851227 639943735 /nfs/dbraw/zinc/94/37/35/639943735.db2.gz YKWSWCFLUYPWAR-SNVBAGLBSA-N 1 0 245.323 -1.955 20 0 BAADRO COC[C@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)[C@H](C)O ZINC000930851822 639948946 /nfs/dbraw/zinc/94/89/46/639948946.db2.gz BDGWAVRUFALAKY-JLIMGVALSA-N 1 0 219.281 -1.190 20 0 BAADRO COC[C@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)[C@@H](C)O ZINC000930851823 639947291 /nfs/dbraw/zinc/94/72/91/639947291.db2.gz BDGWAVRUFALAKY-KYXWUPHJSA-N 1 0 219.281 -1.190 20 0 BAADRO COC[C@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](C)O ZINC000930851824 639947644 /nfs/dbraw/zinc/94/76/44/639947644.db2.gz BDGWAVRUFALAKY-SGIHWFKDSA-N 1 0 219.281 -1.190 20 0 BAADRO COC[C@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@@H](C)O ZINC000930851825 639948882 /nfs/dbraw/zinc/94/88/82/639948882.db2.gz BDGWAVRUFALAKY-ZYUZMQFOSA-N 1 0 219.281 -1.190 20 0 BAADRO C[C@H](O)[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000930861196 639953556 /nfs/dbraw/zinc/95/35/56/639953556.db2.gz AJHIXFCSYAVVBF-QELNKNBYSA-N 1 0 219.306 -1.067 20 0 BAADRO C[C@H](O)[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000930861197 639954972 /nfs/dbraw/zinc/95/49/72/639954972.db2.gz AJHIXFCSYAVVBF-UDFANUMJSA-N 1 0 219.306 -1.067 20 0 BAADRO C[C@@H](O)[C@H](O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000930888574 639972452 /nfs/dbraw/zinc/97/24/52/639972452.db2.gz SLNBOYGVRABLMG-LMLFDSFASA-N 1 0 230.308 -1.521 20 0 BAADRO C[C@H](O)[C@@H](O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000930888575 639973885 /nfs/dbraw/zinc/97/38/85/639973885.db2.gz SLNBOYGVRABLMG-MMWGEVLESA-N 1 0 230.308 -1.521 20 0 BAADRO C[C@H](O)[C@H](O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000930888576 639974455 /nfs/dbraw/zinc/97/44/55/639974455.db2.gz SLNBOYGVRABLMG-UKKRHICBSA-N 1 0 230.308 -1.521 20 0 BAADRO C[C@@H](O)[C@@H](O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000930888577 639973149 /nfs/dbraw/zinc/97/31/49/639973149.db2.gz SLNBOYGVRABLMG-YTWAJWBKSA-N 1 0 230.308 -1.521 20 0 BAADRO C[C@H](O)[C@@H](O)C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000930901189 639975820 /nfs/dbraw/zinc/97/58/20/639975820.db2.gz AVYJIADGGVCJGQ-JLIMGVALSA-N 1 0 219.281 -1.454 20 0 BAADRO C[C@@H](O)[C@@H](O)C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000930901190 639979255 /nfs/dbraw/zinc/97/92/55/639979255.db2.gz AVYJIADGGVCJGQ-KYXWUPHJSA-N 1 0 219.281 -1.454 20 0 BAADRO C[C@H](O)[C@H](O)C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000930901191 639978398 /nfs/dbraw/zinc/97/83/98/639978398.db2.gz AVYJIADGGVCJGQ-SGIHWFKDSA-N 1 0 219.281 -1.454 20 0 BAADRO C[C@@H](O)[C@H](O)C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000930901192 639978998 /nfs/dbraw/zinc/97/89/98/639978998.db2.gz AVYJIADGGVCJGQ-ZYUZMQFOSA-N 1 0 219.281 -1.454 20 0 BAADRO OC[C@H](O)C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000930921124 639987872 /nfs/dbraw/zinc/98/78/72/639987872.db2.gz BXMVUTKOEBALKN-NXEZZACHSA-N 1 0 226.280 -1.047 20 0 BAADRO OC[C@@H](O)C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000930921125 639984097 /nfs/dbraw/zinc/98/40/97/639984097.db2.gz BXMVUTKOEBALKN-UWVGGRQHSA-N 1 0 226.280 -1.047 20 0 BAADRO OC[C@H](O)C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000930921126 639984637 /nfs/dbraw/zinc/98/46/37/639984637.db2.gz BXMVUTKOEBALKN-VHSXEESVSA-N 1 0 226.280 -1.047 20 0 BAADRO OC[C@@H](O)C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000930921127 639985649 /nfs/dbraw/zinc/98/56/49/639985649.db2.gz BXMVUTKOEBALKN-ZJUUUORDSA-N 1 0 226.280 -1.047 20 0 BAADRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]C[C@@H](O)[C@@H](C)O ZINC000930963717 640002483 /nfs/dbraw/zinc/00/24/83/640002483.db2.gz LBLRNKYQRJEGRJ-BZNPZCIMSA-N 1 0 233.264 -1.352 20 0 BAADRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]C[C@@H](O)[C@H](C)O ZINC000930963774 640002054 /nfs/dbraw/zinc/00/20/54/640002054.db2.gz LBLRNKYQRJEGRJ-RBXMUDONSA-N 1 0 233.264 -1.352 20 0 BAADRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]C[C@H](O)[C@@H](C)O ZINC000930963775 640001400 /nfs/dbraw/zinc/00/14/00/640001400.db2.gz LBLRNKYQRJEGRJ-RYPBNFRJSA-N 1 0 233.264 -1.352 20 0 BAADRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]C[C@H](O)[C@H](C)O ZINC000930963777 639995100 /nfs/dbraw/zinc/99/51/00/639995100.db2.gz LBLRNKYQRJEGRJ-XSPKLOCKSA-N 1 0 233.264 -1.352 20 0 BAADRO O=C1OCCN1[C@@H]1CC[N@@H+](C[C@H](O)CO)C1 ZINC000930967561 640004225 /nfs/dbraw/zinc/00/42/25/640004225.db2.gz YPYKQQGPJOUWDJ-BDAKNGLRSA-N 1 0 230.264 -1.134 20 0 BAADRO O=C1OCCN1[C@H]1CC[N@@H+](C[C@@H](O)CO)C1 ZINC000930967569 640004742 /nfs/dbraw/zinc/00/47/42/640004742.db2.gz YPYKQQGPJOUWDJ-DTWKUNHWSA-N 1 0 230.264 -1.134 20 0 BAADRO CN1CC[N@H+](C[C@@H](O)CO)CCC1=O ZINC000930990914 640014601 /nfs/dbraw/zinc/01/46/01/640014601.db2.gz NFSCKRYBSFNPJK-MRVPVSSYSA-N 1 0 202.254 -1.496 20 0 BAADRO CN1CC[N@H+](C[C@H](O)CO)CCC1=O ZINC000930990915 640013731 /nfs/dbraw/zinc/01/37/31/640013731.db2.gz NFSCKRYBSFNPJK-QMMMGPOBSA-N 1 0 202.254 -1.496 20 0 BAADRO C[C@@H](O)[C@@H](O)C[N@H+]1CCC(=O)N(C)CC1 ZINC000930991725 640013834 /nfs/dbraw/zinc/01/38/34/640013834.db2.gz RXLVZVVFMRMKPY-BDAKNGLRSA-N 1 0 216.281 -1.108 20 0 BAADRO C[C@H](O)[C@H](O)C[N@H+]1CCC(=O)N(C)CC1 ZINC000930991726 640013285 /nfs/dbraw/zinc/01/32/85/640013285.db2.gz RXLVZVVFMRMKPY-DTWKUNHWSA-N 1 0 216.281 -1.108 20 0 BAADRO C[C@H](O)[C@@H](O)C[N@H+]1CCC(=O)N(C)CC1 ZINC000930991727 640014082 /nfs/dbraw/zinc/01/40/82/640014082.db2.gz RXLVZVVFMRMKPY-IUCAKERBSA-N 1 0 216.281 -1.108 20 0 BAADRO C[C@@H](O)[C@H](O)C[N@H+]1CCC(=O)N(C)CC1 ZINC000930991728 640013368 /nfs/dbraw/zinc/01/33/68/640013368.db2.gz RXLVZVVFMRMKPY-RKDXNWHRSA-N 1 0 216.281 -1.108 20 0 BAADRO C[N@H+](C[C@@H](O)CO)C[C@H]1COCCO1 ZINC000930995920 640013128 /nfs/dbraw/zinc/01/31/28/640013128.db2.gz IJAHFSKPOLBONG-BDAKNGLRSA-N 1 0 205.254 -1.313 20 0 BAADRO C[N@H+](C[C@H](O)CO)C[C@@H]1COCCO1 ZINC000930995921 640014218 /nfs/dbraw/zinc/01/42/18/640014218.db2.gz IJAHFSKPOLBONG-DTWKUNHWSA-N 1 0 205.254 -1.313 20 0 BAADRO C[N@H+](C[C@H](O)CO)C[C@H]1COCCO1 ZINC000930995922 640014827 /nfs/dbraw/zinc/01/48/27/640014827.db2.gz IJAHFSKPOLBONG-IUCAKERBSA-N 1 0 205.254 -1.313 20 0 BAADRO C[N@H+](C[C@@H](O)CO)C[C@@H]1COCCO1 ZINC000930995923 640013642 /nfs/dbraw/zinc/01/36/42/640013642.db2.gz IJAHFSKPOLBONG-RKDXNWHRSA-N 1 0 205.254 -1.313 20 0 BAADRO C[C@H](O)[C@H](O)C[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000931055294 640040546 /nfs/dbraw/zinc/04/05/46/640040546.db2.gz VRZHKZMJHHWICC-AXTSPUMRSA-N 1 0 219.281 -1.454 20 0 BAADRO C[C@H](O)[C@H](O)C[N@@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000931055295 640041577 /nfs/dbraw/zinc/04/15/77/640041577.db2.gz VRZHKZMJHHWICC-JLIMGVALSA-N 1 0 219.281 -1.454 20 0 BAADRO C[C@H](O)[C@H](O)C[N@@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000931055296 640042256 /nfs/dbraw/zinc/04/22/56/640042256.db2.gz VRZHKZMJHHWICC-QEYWKRMJSA-N 1 0 219.281 -1.454 20 0 BAADRO C[C@H](O)[C@H](O)C[N@@H+]1C[C@H](O)C[C@]1(C)CO ZINC000931055297 640041030 /nfs/dbraw/zinc/04/10/30/640041030.db2.gz VRZHKZMJHHWICC-SGIHWFKDSA-N 1 0 219.281 -1.454 20 0 BAADRO NC(=O)[C@H]1C[N@H+](CCOC2CC2)C[C@H]1C(N)=O ZINC000931056172 640043510 /nfs/dbraw/zinc/04/35/10/640043510.db2.gz XQWWPUDILOEXLL-DTORHVGOSA-N 1 0 241.291 -1.316 20 0 BAADRO NC(=O)[C@H]1C[NH+](CCOC2CC2)C[C@@H]1C(N)=O ZINC000931056181 640042779 /nfs/dbraw/zinc/04/27/79/640042779.db2.gz XQWWPUDILOEXLL-IUCAKERBSA-N 1 0 241.291 -1.316 20 0 BAADRO NC(=O)[C@@H]1C[NH+](CCOC2CC2)C[C@H]1C(N)=O ZINC000931056183 640044684 /nfs/dbraw/zinc/04/46/84/640044684.db2.gz XQWWPUDILOEXLL-RKDXNWHRSA-N 1 0 241.291 -1.316 20 0 BAADRO COC(=O)[C@]1(OC)CC[N@H+](C[C@@H](O)[C@@H](C)O)C1 ZINC000931173068 640086678 /nfs/dbraw/zinc/08/66/78/640086678.db2.gz JIXKRTDWTDTUPO-KKZNHRDASA-N 1 0 247.291 -1.008 20 0 BAADRO COC(=O)[C@]1(OC)CC[N@H+](C[C@@H](O)[C@H](C)O)C1 ZINC000931173069 640087356 /nfs/dbraw/zinc/08/73/56/640087356.db2.gz JIXKRTDWTDTUPO-NGZCFLSTSA-N 1 0 247.291 -1.008 20 0 BAADRO COC(=O)[C@]1(OC)CC[N@H+](C[C@H](O)[C@H](C)O)C1 ZINC000931173070 640087439 /nfs/dbraw/zinc/08/74/39/640087439.db2.gz JIXKRTDWTDTUPO-QXEWZRGKSA-N 1 0 247.291 -1.008 20 0 BAADRO COC(=O)[C@]1(OC)CC[N@H+](C[C@H](O)[C@@H](C)O)C1 ZINC000931173071 640086542 /nfs/dbraw/zinc/08/65/42/640086542.db2.gz JIXKRTDWTDTUPO-YWVKMMECSA-N 1 0 247.291 -1.008 20 0 BAADRO COC(=O)[C@@]1(OC)CC[N@H+](C[C@@H](O)CO)C1 ZINC000931174722 640089260 /nfs/dbraw/zinc/08/92/60/640089260.db2.gz YSCNWGGMNDIWJG-PSASIEDQSA-N 1 0 233.264 -1.397 20 0 BAADRO COC(=O)[C@]1(OC)CC[N@H+](C[C@@H](O)CO)C1 ZINC000931174723 640089968 /nfs/dbraw/zinc/08/99/68/640089968.db2.gz YSCNWGGMNDIWJG-SCZZXKLOSA-N 1 0 233.264 -1.397 20 0 BAADRO COC(=O)[C@@]1(OC)CC[N@H+](C[C@H](O)CO)C1 ZINC000931174724 640090205 /nfs/dbraw/zinc/09/02/05/640090205.db2.gz YSCNWGGMNDIWJG-WCBMZHEXSA-N 1 0 233.264 -1.397 20 0 BAADRO COC(=O)[C@]1(OC)CC[N@H+](C[C@H](O)CO)C1 ZINC000931174725 640088707 /nfs/dbraw/zinc/08/87/07/640088707.db2.gz YSCNWGGMNDIWJG-WPRPVWTQSA-N 1 0 233.264 -1.397 20 0 BAADRO COC(=O)[C@@H]1CN(C[C@@H](O)CO)C[C@@H](C)O1 ZINC000931179237 640091052 /nfs/dbraw/zinc/09/10/52/640091052.db2.gz DWWAZNCYIODUEA-HLTSFMKQSA-N 1 0 233.264 -1.398 20 0 BAADRO COC(=O)[C@@H]1CN(C[C@H](O)CO)C[C@@H](C)O1 ZINC000931179238 640091485 /nfs/dbraw/zinc/09/14/85/640091485.db2.gz DWWAZNCYIODUEA-VGMNWLOBSA-N 1 0 233.264 -1.398 20 0 BAADRO C[C@H](O)[C@H](O)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000931180211 640091900 /nfs/dbraw/zinc/09/19/00/640091900.db2.gz NEQZPGCNNMVZGP-BIIVOSGPSA-N 1 0 202.254 -1.322 20 0 BAADRO C[C@@H](O)[C@@H](O)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000931180212 640091445 /nfs/dbraw/zinc/09/14/45/640091445.db2.gz NEQZPGCNNMVZGP-CSMHCCOUSA-N 1 0 202.254 -1.322 20 0 BAADRO C[C@H](O)[C@@H](O)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000931180213 640090895 /nfs/dbraw/zinc/09/08/95/640090895.db2.gz NEQZPGCNNMVZGP-FXQIFTODSA-N 1 0 202.254 -1.322 20 0 BAADRO C[C@@H](O)[C@H](O)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000931180214 640090586 /nfs/dbraw/zinc/09/05/86/640090586.db2.gz NEQZPGCNNMVZGP-GJMOJQLCSA-N 1 0 202.254 -1.322 20 0 BAADRO Cn1[nH]c(=O)c2c1C[N@H+](C[C@H](O)CO)CC2 ZINC000931193385 634265115 /nfs/dbraw/zinc/26/51/15/634265115.db2.gz XBLHLQFNDMCWKE-ZETCQYMHSA-N 1 0 227.264 -1.163 20 0 BAADRO CC1(C)CC(=O)NCC[N@@H+]1C[C@@H](O)CO ZINC000931201209 640099548 /nfs/dbraw/zinc/09/95/48/640099548.db2.gz LGZMKBKRUUUSJA-MRVPVSSYSA-N 1 0 216.281 -1.060 20 0 BAADRO CC1(C)CC(=O)NCC[N@@H+]1C[C@H](O)CO ZINC000931202983 640102820 /nfs/dbraw/zinc/10/28/20/640102820.db2.gz LGZMKBKRUUUSJA-QMMMGPOBSA-N 1 0 216.281 -1.060 20 0 BAADRO C[C@@H](O)[C@@H](O)C[N@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000931265185 640123089 /nfs/dbraw/zinc/12/30/89/640123089.db2.gz FWIJTVTVILTXOA-HXFLIBJXSA-N 1 0 216.281 -1.076 20 0 BAADRO C[C@@H](O)[C@H](O)C[N@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000931265186 640122163 /nfs/dbraw/zinc/12/21/63/640122163.db2.gz FWIJTVTVILTXOA-LURQLKTLSA-N 1 0 216.281 -1.076 20 0 BAADRO C[C@H](O)[C@@H](O)C[N@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000931265187 640120907 /nfs/dbraw/zinc/12/09/07/640120907.db2.gz FWIJTVTVILTXOA-MAUMQABQSA-N 1 0 216.281 -1.076 20 0 BAADRO C[C@H](O)[C@H](O)C[N@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000931265189 640121538 /nfs/dbraw/zinc/12/15/38/640121538.db2.gz FWIJTVTVILTXOA-RBXMUDONSA-N 1 0 216.281 -1.076 20 0 BAADRO C[N@H+](C[C@@H](O)CO)[C@H]1C[C@@H](C(N)=O)C1 ZINC000931266481 640121354 /nfs/dbraw/zinc/12/13/54/640121354.db2.gz MNIKAWLKGPQZAI-GJMOJQLCSA-N 1 0 202.254 -1.465 20 0 BAADRO C[N@H+](C[C@H](O)CO)[C@H]1C[C@@H](C(N)=O)C1 ZINC000931266500 640123020 /nfs/dbraw/zinc/12/30/20/640123020.db2.gz MNIKAWLKGPQZAI-RNJXMRFFSA-N 1 0 202.254 -1.465 20 0 BAADRO C[NH+](C)[C@@H]1[C@H]2CN(CC(=O)NC(N)=O)C[C@H]21 ZINC000931276097 640126699 /nfs/dbraw/zinc/12/66/99/640126699.db2.gz GWIWDBMEDGBFPV-QMSLJYSESA-N 1 0 226.280 -1.327 20 0 BAADRO CNC(=O)NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931282825 640137347 /nfs/dbraw/zinc/13/73/47/640137347.db2.gz KLBSEDFKQKCTCW-MBTKJCJQSA-N 1 0 240.307 -1.066 20 0 BAADRO C[C@@H](O)[C@@H](O)C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000931335971 640163027 /nfs/dbraw/zinc/16/30/27/640163027.db2.gz HVSDJNBUXGTIGS-BGZDPUMWSA-N 1 0 215.249 -1.167 20 0 BAADRO C[C@@H](O)[C@H](O)C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000931335974 640161104 /nfs/dbraw/zinc/16/11/04/640161104.db2.gz HVSDJNBUXGTIGS-FNCVBFRFSA-N 1 0 215.249 -1.167 20 0 BAADRO C[C@H](O)[C@H](O)C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000931335976 640163757 /nfs/dbraw/zinc/16/37/57/640163757.db2.gz HVSDJNBUXGTIGS-JQCXWYLXSA-N 1 0 215.249 -1.167 20 0 BAADRO C[C@H](O)[C@@H](O)C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000931335978 640162608 /nfs/dbraw/zinc/16/26/08/640162608.db2.gz HVSDJNBUXGTIGS-KDXUFGMBSA-N 1 0 215.249 -1.167 20 0 BAADRO C[C@]12C[NH+](C[C@@H](O)CO)C[C@]1(C)C(=O)NC2=O ZINC000931382449 640172487 /nfs/dbraw/zinc/17/24/87/640172487.db2.gz KPEFGPGEACWXIE-AVPPRXQKSA-N 1 0 242.275 -1.676 20 0 BAADRO C[C@]12C[N@H+](C[C@H](O)CO)C[C@@]1(C)C(=O)NC2=O ZINC000931382451 640171913 /nfs/dbraw/zinc/17/19/13/640171913.db2.gz KPEFGPGEACWXIE-BKDNQFJXSA-N 1 0 242.275 -1.676 20 0 BAADRO C[C@@]12C[NH+](C[C@@H](O)CO)C[C@@]1(C)C(=O)NC2=O ZINC000931382452 640172206 /nfs/dbraw/zinc/17/22/06/640172206.db2.gz KPEFGPGEACWXIE-GGVZMXCHSA-N 1 0 242.275 -1.676 20 0 BAADRO C[C@]12C[N@H+](C[C@@H](O)CO)C[C@@]1(C)C(=O)NC2=O ZINC000931382453 640173024 /nfs/dbraw/zinc/17/30/24/640173024.db2.gz KPEFGPGEACWXIE-ONOSFVFSSA-N 1 0 242.275 -1.676 20 0 BAADRO C[C@@]12C[NH+](C[C@H](O)CO)C[C@@]1(C)C(=O)NC2=O ZINC000931382485 640172971 /nfs/dbraw/zinc/17/29/71/640172971.db2.gz KPEFGPGEACWXIE-SWPVVBRQSA-N 1 0 242.275 -1.676 20 0 BAADRO C[C@]12C[NH+](C[C@H](O)CO)C[C@]1(C)C(=O)NC2=O ZINC000931382486 640172550 /nfs/dbraw/zinc/17/25/50/640172550.db2.gz KPEFGPGEACWXIE-WHGOUJPWSA-N 1 0 242.275 -1.676 20 0 BAADRO COC[C@](C)(CO)[NH2+]C[C@H](O)[C@H](C)O ZINC000931383809 640172911 /nfs/dbraw/zinc/17/29/11/640172911.db2.gz PGLXPBPFXQRGTJ-CIUDSAMLSA-N 1 0 207.270 -1.285 20 0 BAADRO COC[C@](C)(CO)[NH2+]C[C@@H](O)[C@@H](C)O ZINC000931383822 640173113 /nfs/dbraw/zinc/17/31/13/640173113.db2.gz PGLXPBPFXQRGTJ-HLTSFMKQSA-N 1 0 207.270 -1.285 20 0 BAADRO COC[C@](C)(CO)[NH2+]C[C@H](O)[C@@H](C)O ZINC000931383823 640170607 /nfs/dbraw/zinc/17/06/07/640170607.db2.gz PGLXPBPFXQRGTJ-VGMNWLOBSA-N 1 0 207.270 -1.285 20 0 BAADRO COC[C@](C)(CO)[NH2+]C[C@@H](O)[C@H](C)O ZINC000931383824 640170388 /nfs/dbraw/zinc/17/03/88/640170388.db2.gz PGLXPBPFXQRGTJ-YIZRAAEISA-N 1 0 207.270 -1.285 20 0 BAADRO Cn1[nH]c(CN2CC[N@H+](C)[C@@H](CO)C2)nc1=O ZINC000931402587 640182013 /nfs/dbraw/zinc/18/20/13/640182013.db2.gz DXLRRWNAFQZKPO-MRVPVSSYSA-N 1 0 241.295 -1.783 20 0 BAADRO Cn1[nH]c(CN2CC[N@H+](C)[C@H](CO)C2)nc1=O ZINC000931402588 640184430 /nfs/dbraw/zinc/18/44/30/640184430.db2.gz DXLRRWNAFQZKPO-QMMMGPOBSA-N 1 0 241.295 -1.783 20 0 BAADRO CO[C@H]1C[N@H+](C[C@H](O)CO)[C@](C)(CO)C1 ZINC000931469957 640228250 /nfs/dbraw/zinc/22/82/50/640228250.db2.gz HWDXVPYTUGJUPX-AEJSXWLSSA-N 1 0 219.281 -1.189 20 0 BAADRO CO[C@H]1C[N@H+](C[C@@H](O)CO)[C@](C)(CO)C1 ZINC000931469958 640228608 /nfs/dbraw/zinc/22/86/08/640228608.db2.gz HWDXVPYTUGJUPX-BBBLOLIVSA-N 1 0 219.281 -1.189 20 0 BAADRO CO[C@@H]1C[N@H+](C[C@H](O)CO)[C@](C)(CO)C1 ZINC000931469959 640228108 /nfs/dbraw/zinc/22/81/08/640228108.db2.gz HWDXVPYTUGJUPX-GUBZILKMSA-N 1 0 219.281 -1.189 20 0 BAADRO CO[C@H]1C[N@H+](C[C@H](O)CO)[C@@](C)(CO)C1 ZINC000931469960 640228661 /nfs/dbraw/zinc/22/86/61/640228661.db2.gz HWDXVPYTUGJUPX-IVZWLZJFSA-N 1 0 219.281 -1.189 20 0 BAADRO CO[C@@H]1C[N@H+](C[C@@H](O)CO)[C@@](C)(CO)C1 ZINC000931469961 640228180 /nfs/dbraw/zinc/22/81/80/640228180.db2.gz HWDXVPYTUGJUPX-KXUCPTDWSA-N 1 0 219.281 -1.189 20 0 BAADRO CO[C@@H]1C[N@H+](C[C@H](O)CO)[C@@](C)(CO)C1 ZINC000931469962 640228544 /nfs/dbraw/zinc/22/85/44/640228544.db2.gz HWDXVPYTUGJUPX-LPEHRKFASA-N 1 0 219.281 -1.189 20 0 BAADRO CO[C@H]1C[N@H+](C[C@@H](O)CO)[C@@](C)(CO)C1 ZINC000931469963 640229006 /nfs/dbraw/zinc/22/90/06/640229006.db2.gz HWDXVPYTUGJUPX-OPRDCNLKSA-N 1 0 219.281 -1.189 20 0 BAADRO CO[C@@H]1C[N@H+](C[C@@H](O)CO)[C@](C)(CO)C1 ZINC000931469964 640229147 /nfs/dbraw/zinc/22/91/47/640229147.db2.gz HWDXVPYTUGJUPX-UTLUCORTSA-N 1 0 219.281 -1.189 20 0 BAADRO C[C@@H](O)[C@@H](O)C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000931544936 640266224 /nfs/dbraw/zinc/26/62/24/640266224.db2.gz KCGUHAYXZFDAGQ-HXFLIBJXSA-N 1 0 242.275 -1.725 20 0 BAADRO C[C@@H](O)[C@H](O)C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000931544937 640267273 /nfs/dbraw/zinc/26/72/73/640267273.db2.gz KCGUHAYXZFDAGQ-LURQLKTLSA-N 1 0 242.275 -1.725 20 0 BAADRO C[C@H](O)[C@@H](O)C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000931544938 640266363 /nfs/dbraw/zinc/26/63/63/640266363.db2.gz KCGUHAYXZFDAGQ-MAUMQABQSA-N 1 0 242.275 -1.725 20 0 BAADRO C[C@H](O)[C@H](O)C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000931544939 640268521 /nfs/dbraw/zinc/26/85/21/640268521.db2.gz KCGUHAYXZFDAGQ-RBXMUDONSA-N 1 0 242.275 -1.725 20 0 BAADRO COC(=O)[C@H]1C[C@@H](O)CN1C[C@H](O)[C@@H](C)O ZINC000931566851 640274579 /nfs/dbraw/zinc/27/45/79/640274579.db2.gz YTXUUXWTTZZVCZ-BGZDPUMWSA-N 1 0 233.264 -1.664 20 0 BAADRO COC(=O)[C@H]1C[C@@H](O)CN1C[C@@H](O)[C@@H](C)O ZINC000931566852 640275306 /nfs/dbraw/zinc/27/53/06/640275306.db2.gz YTXUUXWTTZZVCZ-FNCVBFRFSA-N 1 0 233.264 -1.664 20 0 BAADRO COC(=O)[C@H]1C[C@@H](O)CN1C[C@@H](O)[C@H](C)O ZINC000931566853 640276011 /nfs/dbraw/zinc/27/60/11/640276011.db2.gz YTXUUXWTTZZVCZ-JQCXWYLXSA-N 1 0 233.264 -1.664 20 0 BAADRO COC(=O)[C@H]1C[C@@H](O)CN1C[C@H](O)[C@H](C)O ZINC000931566854 640276075 /nfs/dbraw/zinc/27/60/75/640276075.db2.gz YTXUUXWTTZZVCZ-KDXUFGMBSA-N 1 0 233.264 -1.664 20 0 BAADRO C[C@@H](O)[C@@H](O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000931616319 640291406 /nfs/dbraw/zinc/29/14/06/640291406.db2.gz RBDAMTUJNFCBJS-KXNHARMFSA-N 1 0 244.335 -1.131 20 0 BAADRO C[C@H](O)[C@H](O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000931616321 640291541 /nfs/dbraw/zinc/29/15/41/640291541.db2.gz RBDAMTUJNFCBJS-NNYUYHANSA-N 1 0 244.335 -1.131 20 0 BAADRO C[C@@H](O)[C@H](O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000931616322 640290978 /nfs/dbraw/zinc/29/09/78/640290978.db2.gz RBDAMTUJNFCBJS-WRWGMCAJSA-N 1 0 244.335 -1.131 20 0 BAADRO C[C@H](O)[C@@H](O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000931616324 640289576 /nfs/dbraw/zinc/28/95/76/640289576.db2.gz RBDAMTUJNFCBJS-YFKTTZPYSA-N 1 0 244.335 -1.131 20 0 BAADRO OC[C@@H](O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000931616385 640283304 /nfs/dbraw/zinc/28/33/04/640283304.db2.gz SGKFQUYWVPZTIL-AXFHLTTASA-N 1 0 230.308 -1.520 20 0 BAADRO OC[C@H](O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000931616386 640284016 /nfs/dbraw/zinc/28/40/16/640284016.db2.gz SGKFQUYWVPZTIL-HBNTYKKESA-N 1 0 230.308 -1.520 20 0 BAADRO CC[C@H](CO)[N@H+](C)CCS(N)(=O)=O ZINC000931617732 640289153 /nfs/dbraw/zinc/28/91/53/640289153.db2.gz NEZVYVCCYXHGBW-SSDOTTSWSA-N 1 0 210.299 -1.022 20 0 BAADRO CC[C@@H](CO)[N@H+](C)CCS(N)(=O)=O ZINC000931617733 640290893 /nfs/dbraw/zinc/29/08/93/640290893.db2.gz NEZVYVCCYXHGBW-ZETCQYMHSA-N 1 0 210.299 -1.022 20 0 BAADRO Cc1nc(N2CCN(C[C@@H](O)CO)CC2)n[nH]1 ZINC000931632180 640296323 /nfs/dbraw/zinc/29/63/23/640296323.db2.gz UNVUPVAVSYQWMJ-SECBINFHSA-N 1 0 241.295 -1.412 20 0 BAADRO CC1(C)CNC(=O)[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC000931652313 640305066 /nfs/dbraw/zinc/30/50/66/640305066.db2.gz FLEFCCLNYKYKST-HTRCEHHLSA-N 1 0 239.275 -1.094 20 0 BAADRO CC1(C)CNC(=O)[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC000931652314 640304909 /nfs/dbraw/zinc/30/49/09/640304909.db2.gz FLEFCCLNYKYKST-POYBYMJQSA-N 1 0 239.275 -1.094 20 0 BAADRO CC1(C)CNC(=O)[C@@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC000931652316 640302738 /nfs/dbraw/zinc/30/27/38/640302738.db2.gz FLEFCCLNYKYKST-SVRRBLITSA-N 1 0 239.275 -1.094 20 0 BAADRO CC1(C)CNC(=O)[C@@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC000931652319 640302249 /nfs/dbraw/zinc/30/22/49/640302249.db2.gz FLEFCCLNYKYKST-XPUUQOCRSA-N 1 0 239.275 -1.094 20 0 BAADRO CC1(C)CNC(=O)[C@@H]1[NH2+]C[C@H](O)CO ZINC000931653891 640304822 /nfs/dbraw/zinc/30/48/22/640304822.db2.gz XXTKDWIUECIPEJ-BQBZGAKWSA-N 1 0 202.254 -1.546 20 0 BAADRO CC1(C)CNC(=O)[C@H]1[NH2+]C[C@H](O)CO ZINC000931653892 640304085 /nfs/dbraw/zinc/30/40/85/640304085.db2.gz XXTKDWIUECIPEJ-NKWVEPMBSA-N 1 0 202.254 -1.546 20 0 BAADRO CC1(C)CNC(=O)[C@H]1[NH2+]C[C@@H](O)CO ZINC000931654026 640304924 /nfs/dbraw/zinc/30/49/24/640304924.db2.gz XXTKDWIUECIPEJ-RNFRBKRXSA-N 1 0 202.254 -1.546 20 0 BAADRO CC1(C)CNC(=O)[C@@H]1[NH2+]C[C@@H](O)CO ZINC000931654029 640304562 /nfs/dbraw/zinc/30/45/62/640304562.db2.gz XXTKDWIUECIPEJ-RQJHMYQMSA-N 1 0 202.254 -1.546 20 0 BAADRO CC1(C)CNC(=O)[C@H]1[NH2+]CCn1cnnn1 ZINC000931654066 640304466 /nfs/dbraw/zinc/30/44/66/640304466.db2.gz YFGCAXMFAXEUFS-SSDOTTSWSA-N 1 0 224.268 -1.213 20 0 BAADRO CC1(C)CNC(=O)[C@@H]1[NH2+]CCn1cnnn1 ZINC000931654073 640305372 /nfs/dbraw/zinc/30/53/72/640305372.db2.gz YFGCAXMFAXEUFS-ZETCQYMHSA-N 1 0 224.268 -1.213 20 0 BAADRO C[C@H](O)[C@@H](O)C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000931655742 640303994 /nfs/dbraw/zinc/30/39/94/640303994.db2.gz MXLXMWGNQRMKKP-BIIVOSGPSA-N 1 0 216.281 -1.158 20 0 BAADRO C[C@H](O)[C@@H](O)C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000931655743 640304943 /nfs/dbraw/zinc/30/49/43/640304943.db2.gz MXLXMWGNQRMKKP-FXQIFTODSA-N 1 0 216.281 -1.158 20 0 BAADRO C[C@H](O)[C@H](O)C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000931655744 640305033 /nfs/dbraw/zinc/30/50/33/640305033.db2.gz MXLXMWGNQRMKKP-RNJXMRFFSA-N 1 0 216.281 -1.158 20 0 BAADRO C[C@H](O)[C@H](O)C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000931655745 640303902 /nfs/dbraw/zinc/30/39/02/640303902.db2.gz MXLXMWGNQRMKKP-XLPZGREQSA-N 1 0 216.281 -1.158 20 0 BAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000931664069 640310835 /nfs/dbraw/zinc/31/08/35/640310835.db2.gz MPRNBBMZNZNPFC-SSDOTTSWSA-N 1 0 242.279 -1.444 20 0 BAADRO CNC(=O)NC(=O)C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000931664075 640308693 /nfs/dbraw/zinc/30/86/93/640308693.db2.gz MPRNBBMZNZNPFC-ZETCQYMHSA-N 1 0 242.279 -1.444 20 0 BAADRO CS(=O)(=O)N1CC(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)C1 ZINC000931699307 640322786 /nfs/dbraw/zinc/32/27/86/640322786.db2.gz PYRSQTJBVVCXNM-NXEZZACHSA-N 1 0 246.332 -1.056 20 0 BAADRO CS(=O)(=O)N1CC(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)C1 ZINC000931699314 640322623 /nfs/dbraw/zinc/32/26/23/640322623.db2.gz PYRSQTJBVVCXNM-UWVGGRQHSA-N 1 0 246.332 -1.056 20 0 BAADRO O=C1NCC[C@@H]2CCC[N@@H+](C[C@@H](O)CO)[C@H]12 ZINC000931704255 640326232 /nfs/dbraw/zinc/32/62/32/640326232.db2.gz RDKMFICHQHMYDJ-AEJSXWLSSA-N 1 0 228.292 -1.060 20 0 BAADRO O=C1NCC[C@H]2CCC[N@@H+](C[C@@H](O)CO)[C@H]12 ZINC000931704256 640326976 /nfs/dbraw/zinc/32/69/76/640326976.db2.gz RDKMFICHQHMYDJ-BBBLOLIVSA-N 1 0 228.292 -1.060 20 0 BAADRO O=C1NCC[C@@H]2CCC[N@@H+](C[C@H](O)CO)[C@H]12 ZINC000931704257 640328453 /nfs/dbraw/zinc/32/84/53/640328453.db2.gz RDKMFICHQHMYDJ-GUBZILKMSA-N 1 0 228.292 -1.060 20 0 BAADRO O=C1NCC[C@@H]2CCC[N@@H+](C[C@@H](O)CO)[C@@H]12 ZINC000931704258 640326357 /nfs/dbraw/zinc/32/63/57/640326357.db2.gz RDKMFICHQHMYDJ-IVZWLZJFSA-N 1 0 228.292 -1.060 20 0 BAADRO O=C1NCC[C@H]2CCC[N@@H+](C[C@H](O)CO)[C@@H]12 ZINC000931704259 640327498 /nfs/dbraw/zinc/32/74/98/640327498.db2.gz RDKMFICHQHMYDJ-KXUCPTDWSA-N 1 0 228.292 -1.060 20 0 BAADRO O=C1NCC[C@@H]2CCC[N@@H+](C[C@H](O)CO)[C@@H]12 ZINC000931704260 640326409 /nfs/dbraw/zinc/32/64/09/640326409.db2.gz RDKMFICHQHMYDJ-LPEHRKFASA-N 1 0 228.292 -1.060 20 0 BAADRO O=C1NCC[C@H]2CCC[N@@H+](C[C@@H](O)CO)[C@@H]12 ZINC000931704261 640327555 /nfs/dbraw/zinc/32/75/55/640327555.db2.gz RDKMFICHQHMYDJ-OPRDCNLKSA-N 1 0 228.292 -1.060 20 0 BAADRO O=C1NCC[C@H]2CCC[N@@H+](C[C@H](O)CO)[C@H]12 ZINC000931704262 640328267 /nfs/dbraw/zinc/32/82/67/640328267.db2.gz RDKMFICHQHMYDJ-UTLUCORTSA-N 1 0 228.292 -1.060 20 0 BAADRO COC(=O)[C@]1(O)CC[N@H+](C[C@@H](O)[C@@H](C)O)C1 ZINC000931706755 640329407 /nfs/dbraw/zinc/32/94/07/640329407.db2.gz IQEVTRXXNJQBOG-MRTMQBJTSA-N 1 0 233.264 -1.662 20 0 BAADRO COC(=O)[C@]1(O)CC[N@H+](C[C@H](O)[C@H](C)O)C1 ZINC000931706758 640329072 /nfs/dbraw/zinc/32/90/72/640329072.db2.gz IQEVTRXXNJQBOG-NRPADANISA-N 1 0 233.264 -1.662 20 0 BAADRO COC(=O)[C@]1(O)CC[N@H+](C[C@H](O)[C@@H](C)O)C1 ZINC000931706759 640330477 /nfs/dbraw/zinc/33/04/77/640330477.db2.gz IQEVTRXXNJQBOG-WEDXCCLWSA-N 1 0 233.264 -1.662 20 0 BAADRO COC(=O)[C@]1(O)CC[N@H+](C[C@@H](O)[C@H](C)O)C1 ZINC000931706760 640328960 /nfs/dbraw/zinc/32/89/60/640328960.db2.gz IQEVTRXXNJQBOG-XKSSXDPKSA-N 1 0 233.264 -1.662 20 0 BAADRO C[N@H+](C[C@H](O)C1(O)CCC1)[C@@H]1COC[C@H]1O ZINC000931746721 640346946 /nfs/dbraw/zinc/34/69/46/640346946.db2.gz LDIVRRBBMWSURM-BBBLOLIVSA-N 1 0 231.292 -1.046 20 0 BAADRO C[N@H+](C[C@@H](O)C1(O)CCC1)[C@@H]1COC[C@H]1O ZINC000931746722 640346037 /nfs/dbraw/zinc/34/60/37/640346037.db2.gz LDIVRRBBMWSURM-OPRDCNLKSA-N 1 0 231.292 -1.046 20 0 BAADRO C[C@@H](O)[C@H](O)C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000931747321 640342801 /nfs/dbraw/zinc/34/28/01/640342801.db2.gz SJXQJIUTAGQKQG-FNCVBFRFSA-N 1 0 205.254 -1.580 20 0 BAADRO C[C@H](O)[C@H](O)C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000931747326 640342596 /nfs/dbraw/zinc/34/25/96/640342596.db2.gz SJXQJIUTAGQKQG-JQCXWYLXSA-N 1 0 205.254 -1.580 20 0 BAADRO C[C@@H](O)[C@@H](O)C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000931747328 640343641 /nfs/dbraw/zinc/34/36/41/640343641.db2.gz SJXQJIUTAGQKQG-LURQLKTLSA-N 1 0 205.254 -1.580 20 0 BAADRO C[C@H](O)[C@@H](O)C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000931747329 640345176 /nfs/dbraw/zinc/34/51/76/640345176.db2.gz SJXQJIUTAGQKQG-UYXSQOIJSA-N 1 0 205.254 -1.580 20 0 BAADRO CC[C@H](CO)[NH2+]CCNS(C)(=O)=O ZINC000931766433 640358707 /nfs/dbraw/zinc/35/87/07/640358707.db2.gz FSCUFCSWNODXHQ-SSDOTTSWSA-N 1 0 210.299 -1.104 20 0 BAADRO CC[C@@H](CO)[NH2+]CCNS(C)(=O)=O ZINC000931766434 640358280 /nfs/dbraw/zinc/35/82/80/640358280.db2.gz FSCUFCSWNODXHQ-ZETCQYMHSA-N 1 0 210.299 -1.104 20 0 BAADRO CC[C@@H](CO)[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC000931767398 640359352 /nfs/dbraw/zinc/35/93/52/640359352.db2.gz POAPQZWWQAHHHA-BDAKNGLRSA-N 1 0 245.323 -1.060 20 0 BAADRO CC[C@H](CO)[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000931767399 640358684 /nfs/dbraw/zinc/35/86/84/640358684.db2.gz POAPQZWWQAHHHA-DTWKUNHWSA-N 1 0 245.323 -1.060 20 0 BAADRO CC[C@@H](CO)[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000931767400 640359281 /nfs/dbraw/zinc/35/92/81/640359281.db2.gz POAPQZWWQAHHHA-IUCAKERBSA-N 1 0 245.323 -1.060 20 0 BAADRO CC[C@H](CO)[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC000931767401 640358579 /nfs/dbraw/zinc/35/85/79/640358579.db2.gz POAPQZWWQAHHHA-RKDXNWHRSA-N 1 0 245.323 -1.060 20 0 BAADRO CC[C@H](CO)[NH2+]CCS(=O)(=O)NC ZINC000931770864 640362235 /nfs/dbraw/zinc/36/22/35/640362235.db2.gz CFTNIYHWYQMYRA-SSDOTTSWSA-N 1 0 210.299 -1.104 20 0 BAADRO CC[C@@H](CO)[NH2+]CCS(=O)(=O)NC ZINC000931770866 640363290 /nfs/dbraw/zinc/36/32/90/640363290.db2.gz CFTNIYHWYQMYRA-ZETCQYMHSA-N 1 0 210.299 -1.104 20 0 BAADRO C[C@@H](CO)N(C)C(=O)C(=O)NC[C@H]1CCN1C ZINC000931882255 640383968 /nfs/dbraw/zinc/38/39/68/640383968.db2.gz KYEDHBQSIFHUOT-DTWKUNHWSA-N 1 0 243.307 -1.354 20 0 BAADRO C[C@@H](CO)N(C)C(=O)C(=O)NC[C@@H]1CCN1C ZINC000931882256 640384610 /nfs/dbraw/zinc/38/46/10/640384610.db2.gz KYEDHBQSIFHUOT-IUCAKERBSA-N 1 0 243.307 -1.354 20 0 BAADRO CN1CC[C@@H]1CNC(=O)C(=O)N1CC(CO)C1 ZINC000931882317 640384082 /nfs/dbraw/zinc/38/40/82/640384082.db2.gz LJIUKQAKPJSMRP-SECBINFHSA-N 1 0 241.291 -1.743 20 0 BAADRO CN1CC[C@H]1CNC(=O)C(=O)N1CC(CO)C1 ZINC000931882318 640385651 /nfs/dbraw/zinc/38/56/51/640385651.db2.gz LJIUKQAKPJSMRP-VIFPVBQESA-N 1 0 241.291 -1.743 20 0 BAADRO C[C@@H](O)CN(C)C(=O)C(=O)NC[C@@H]1CCN1C ZINC000931884295 640385328 /nfs/dbraw/zinc/38/53/28/640385328.db2.gz YZKZXYMXILNZTM-BDAKNGLRSA-N 1 0 243.307 -1.354 20 0 BAADRO C[C@H](O)CN(C)C(=O)C(=O)NC[C@H]1CCN1C ZINC000931884296 640385751 /nfs/dbraw/zinc/38/57/51/640385751.db2.gz YZKZXYMXILNZTM-DTWKUNHWSA-N 1 0 243.307 -1.354 20 0 BAADRO C[C@H](O)CN(C)C(=O)C(=O)NC[C@@H]1CCN1C ZINC000931884297 640384898 /nfs/dbraw/zinc/38/48/98/640384898.db2.gz YZKZXYMXILNZTM-IUCAKERBSA-N 1 0 243.307 -1.354 20 0 BAADRO C[C@@H](O)CN(C)C(=O)C(=O)NC[C@H]1CCN1C ZINC000931884298 640385384 /nfs/dbraw/zinc/38/53/84/640385384.db2.gz YZKZXYMXILNZTM-RKDXNWHRSA-N 1 0 243.307 -1.354 20 0 BAADRO CN(CCO)C(=O)C(=O)NC[C@H]1CCN1C ZINC000931884521 640385471 /nfs/dbraw/zinc/38/54/71/640385471.db2.gz ZNYGHAAMOBQUHW-MRVPVSSYSA-N 1 0 229.280 -1.743 20 0 BAADRO CN(CCO)C(=O)C(=O)NC[C@@H]1CCN1C ZINC000931884522 640386067 /nfs/dbraw/zinc/38/60/67/640386067.db2.gz ZNYGHAAMOBQUHW-QMMMGPOBSA-N 1 0 229.280 -1.743 20 0 BAADRO CN(CCCO)C(=O)C(=O)NC[C@H]1CCN1C ZINC000931886630 640384408 /nfs/dbraw/zinc/38/44/08/640384408.db2.gz VVHIYPLKRJDXOP-SECBINFHSA-N 1 0 243.307 -1.353 20 0 BAADRO CN(CCCO)C(=O)C(=O)NC[C@@H]1CCN1C ZINC000931886632 640385732 /nfs/dbraw/zinc/38/57/32/640385732.db2.gz VVHIYPLKRJDXOP-VIFPVBQESA-N 1 0 243.307 -1.353 20 0 BAADRO Cn1nnc(NC(=O)NCC[NH+](C)C)n1 ZINC000932267660 640466753 /nfs/dbraw/zinc/46/67/53/640466753.db2.gz SGCHIVUCHXMBNV-UHFFFAOYSA-N 1 0 213.245 -1.107 20 0 BAADRO CC[N@@H+](CCC(N)=O)CCn1cnnn1 ZINC000932477518 640541844 /nfs/dbraw/zinc/54/18/44/640541844.db2.gz DFQPHLLIIUAOOC-UHFFFAOYSA-N 1 0 212.257 -1.130 20 0 BAADRO CC[N@H+](CCC(N)=O)CCc1nnnn1C ZINC000932478136 640546109 /nfs/dbraw/zinc/54/61/09/640546109.db2.gz XZPJMCKJYJYXBG-UHFFFAOYSA-N 1 0 226.284 -1.050 20 0 BAADRO CC[N@H+](CCNS(C)(=O)=O)CCC(N)=O ZINC000932480051 640549208 /nfs/dbraw/zinc/54/92/08/640549208.db2.gz CUNDJPQIAXPAHO-UHFFFAOYSA-N 1 0 237.325 -1.267 20 0 BAADRO CC[N@@H+](CCC(N)=O)CCN1C(=O)CNC1=O ZINC000932480060 640550057 /nfs/dbraw/zinc/55/00/57/640550057.db2.gz DLHFFHCVXDQQTN-UHFFFAOYSA-N 1 0 242.279 -1.265 20 0 BAADRO CC[N@H+](CCC(N)=O)C[C@@H](O)[C@@H](C)O ZINC000932480446 643309089 /nfs/dbraw/zinc/30/90/89/643309089.db2.gz VQTVZCBYFMLXPK-HTQZYQBOSA-N 1 0 204.270 -1.075 20 0 BAADRO CC[N@H+](CCC(N)=O)C[C@@H](O)[C@H](C)O ZINC000932480456 643308609 /nfs/dbraw/zinc/30/86/09/643308609.db2.gz VQTVZCBYFMLXPK-JGVFFNPUSA-N 1 0 204.270 -1.075 20 0 BAADRO CC[N@H+](CCC(N)=O)C[C@H](O)[C@@H](C)O ZINC000932480463 643308271 /nfs/dbraw/zinc/30/82/71/643308271.db2.gz VQTVZCBYFMLXPK-SFYZADRCSA-N 1 0 204.270 -1.075 20 0 BAADRO CC[N@H+](CCC(N)=O)C[C@H](O)[C@H](C)O ZINC000932480471 643307710 /nfs/dbraw/zinc/30/77/10/643307710.db2.gz VQTVZCBYFMLXPK-YUMQZZPRSA-N 1 0 204.270 -1.075 20 0 BAADRO CC[N@H+](CCC(N)=O)CC(=O)N1CCNC1=O ZINC000932482105 640548918 /nfs/dbraw/zinc/54/89/18/640548918.db2.gz OHLZDDOZVIPHNM-UHFFFAOYSA-N 1 0 242.279 -1.265 20 0 BAADRO C[C@@H]1COC[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000932498360 640561165 /nfs/dbraw/zinc/56/11/65/640561165.db2.gz FGMSQCQDPOWKDA-BDAKNGLRSA-N 1 0 241.291 -1.431 20 0 BAADRO C[C@H]1COC[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000932498365 640559944 /nfs/dbraw/zinc/55/99/44/640559944.db2.gz FGMSQCQDPOWKDA-DTWKUNHWSA-N 1 0 241.291 -1.431 20 0 BAADRO C[C@H]1COC[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000932498367 640561142 /nfs/dbraw/zinc/56/11/42/640561142.db2.gz FGMSQCQDPOWKDA-IUCAKERBSA-N 1 0 241.291 -1.431 20 0 BAADRO C[C@@H]1COC[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000932498368 640559581 /nfs/dbraw/zinc/55/95/81/640559581.db2.gz FGMSQCQDPOWKDA-RKDXNWHRSA-N 1 0 241.291 -1.431 20 0 BAADRO NC(=O)C12CCC(CC1)[N@@H+]2C[C@@H](O)CO ZINC000932936938 640647136 /nfs/dbraw/zinc/64/71/36/640647136.db2.gz DZECCRFHZBGZRN-CCNFQMFXSA-N 1 0 214.265 -1.178 20 0 BAADRO C[C@@H](O)C[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932948216 640651304 /nfs/dbraw/zinc/65/13/04/640651304.db2.gz PSGQWCNVLLJRIQ-HTQZYQBOSA-N 1 0 222.310 -1.022 20 0 BAADRO C[C@H](O)C[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932948218 640650988 /nfs/dbraw/zinc/65/09/88/640650988.db2.gz PSGQWCNVLLJRIQ-JGVFFNPUSA-N 1 0 222.310 -1.022 20 0 BAADRO C[C@@H](O)C[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932948220 640651034 /nfs/dbraw/zinc/65/10/34/640651034.db2.gz PSGQWCNVLLJRIQ-SFYZADRCSA-N 1 0 222.310 -1.022 20 0 BAADRO C[C@H](O)C[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932948222 640650382 /nfs/dbraw/zinc/65/03/82/640650382.db2.gz PSGQWCNVLLJRIQ-YUMQZZPRSA-N 1 0 222.310 -1.022 20 0 BAADRO CN(C)C(=O)CN1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932949992 640650661 /nfs/dbraw/zinc/65/06/61/640650661.db2.gz RGJXQCZQSVEJNV-MRVPVSSYSA-N 1 0 249.336 -1.315 20 0 BAADRO COCCC[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933098902 640668564 /nfs/dbraw/zinc/66/85/64/640668564.db2.gz LYTUBTPEBYCDCL-SECBINFHSA-N 1 0 249.336 -1.143 20 0 BAADRO COCCC[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933098903 640669043 /nfs/dbraw/zinc/66/90/43/640669043.db2.gz LYTUBTPEBYCDCL-VIFPVBQESA-N 1 0 249.336 -1.143 20 0 BAADRO C[C@@H](CO)C[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933099628 642334588 /nfs/dbraw/zinc/33/45/88/642334588.db2.gz YJVLGWGQTCCMOO-BDAKNGLRSA-N 1 0 249.336 -1.551 20 0 BAADRO C[C@H](CO)C[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933099629 642335736 /nfs/dbraw/zinc/33/57/36/642335736.db2.gz YJVLGWGQTCCMOO-DTWKUNHWSA-N 1 0 249.336 -1.551 20 0 BAADRO C[C@H](CO)C[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933099630 642335621 /nfs/dbraw/zinc/33/56/21/642335621.db2.gz YJVLGWGQTCCMOO-IUCAKERBSA-N 1 0 249.336 -1.551 20 0 BAADRO C[C@@H](CO)C[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933099631 642334700 /nfs/dbraw/zinc/33/47/00/642334700.db2.gz YJVLGWGQTCCMOO-RKDXNWHRSA-N 1 0 249.336 -1.551 20 0 BAADRO CC[C@@H]1C(=O)NCCC[N@H+]1C[C@@H](O)CO ZINC000933219463 640684922 /nfs/dbraw/zinc/68/49/22/640684922.db2.gz RCAJTXYJSPDWOS-RKDXNWHRSA-N 1 0 216.281 -1.060 20 0 BAADRO CC[C@H]1C(=O)NCCCN1CCS(N)(=O)=O ZINC000933222878 640685825 /nfs/dbraw/zinc/68/58/25/640685825.db2.gz DJXHNAHZVKNTOW-QMMMGPOBSA-N 1 0 249.336 -1.125 20 0 BAADRO CC[C@H]1C(=O)NCCC[N@H+]1C[C@H](O)CO ZINC000933225698 640684198 /nfs/dbraw/zinc/68/41/98/640684198.db2.gz RCAJTXYJSPDWOS-IUCAKERBSA-N 1 0 216.281 -1.060 20 0 BAADRO CC[C@H]1C(=O)NCCC[N@H+]1C[C@@H](O)CO ZINC000933234991 642408424 /nfs/dbraw/zinc/40/84/24/642408424.db2.gz RCAJTXYJSPDWOS-BDAKNGLRSA-N 1 0 216.281 -1.060 20 0 BAADRO C[C@@H]1C[N@H+](CCO)C[C@H]1CS(N)(=O)=O ZINC000933700999 640748781 /nfs/dbraw/zinc/74/87/81/640748781.db2.gz VPPGNUVGCBUKBT-SFYZADRCSA-N 1 0 222.310 -1.165 20 0 BAADRO NC(=O)[C@]12CCC[C@H]1C[N@H+](C[C@@H](O)CO)C2 ZINC000933748801 631502552 /nfs/dbraw/zinc/50/25/52/631502552.db2.gz UOOMYTKKECUUBV-NGZCFLSTSA-N 1 0 228.292 -1.073 20 0 BAADRO NC(=O)[C@]12CCC[C@H]1C[N@H+](C[C@H](O)CO)C2 ZINC000933749996 640763818 /nfs/dbraw/zinc/76/38/18/640763818.db2.gz UOOMYTKKECUUBV-QXEWZRGKSA-N 1 0 228.292 -1.073 20 0 BAADRO CC[N@H+](CCC(=O)NC)CCS(N)(=O)=O ZINC000933858007 640770100 /nfs/dbraw/zinc/77/01/00/640770100.db2.gz AOFDABOKOIGPMO-UHFFFAOYSA-N 1 0 237.325 -1.267 20 0 BAADRO CC[N@H+](CCC(=O)NC)C[C@H](O)CO ZINC000933861107 640773200 /nfs/dbraw/zinc/77/32/00/640773200.db2.gz WPKWUKJQPNQSPU-QMMMGPOBSA-N 1 0 204.270 -1.202 20 0 BAADRO CC[N@H+](CCC(=O)NC)C[C@@H](O)CO ZINC000933862032 640774620 /nfs/dbraw/zinc/77/46/20/640774620.db2.gz WPKWUKJQPNQSPU-MRVPVSSYSA-N 1 0 204.270 -1.202 20 0 BAADRO CC[N@H+](CCC(=O)NC)CC(=O)NC(=O)NC ZINC000933868920 640777136 /nfs/dbraw/zinc/77/71/36/640777136.db2.gz GJQOYBQOQXZZRR-UHFFFAOYSA-N 1 0 244.295 -1.100 20 0 BAADRO CNS(=O)(=O)CCN1CC[C@@H]1CO ZINC000934013889 631594188 /nfs/dbraw/zinc/59/41/88/631594188.db2.gz XJQDXEDHESBKBQ-SSDOTTSWSA-N 1 0 208.283 -1.398 20 0 BAADRO CNS(=O)(=O)CCN1CC[C@H]1CO ZINC000934013894 631593867 /nfs/dbraw/zinc/59/38/67/631593867.db2.gz XJQDXEDHESBKBQ-ZETCQYMHSA-N 1 0 208.283 -1.398 20 0 BAADRO COCC[N@H+](C)C[C@@H](O)CN1CC[C@@H]1CO ZINC000934017321 631612743 /nfs/dbraw/zinc/61/27/43/631612743.db2.gz GDSAECUUKGPIPB-GHMZBOCLSA-N 1 0 232.324 -1.008 20 0 BAADRO COCC[N@H+](C)C[C@H](O)CN1CC[C@@H]1CO ZINC000934017333 631614624 /nfs/dbraw/zinc/61/46/24/631614624.db2.gz GDSAECUUKGPIPB-MNOVXSKESA-N 1 0 232.324 -1.008 20 0 BAADRO COCC[N@H+](C)C[C@H](O)CN1CC[C@H]1CO ZINC000934017338 631612575 /nfs/dbraw/zinc/61/25/75/631612575.db2.gz GDSAECUUKGPIPB-QWRGUYRKSA-N 1 0 232.324 -1.008 20 0 BAADRO COCC[N@H+](C)C[C@@H](O)CN1CC[C@H]1CO ZINC000934017349 631614102 /nfs/dbraw/zinc/61/41/02/631614102.db2.gz GDSAECUUKGPIPB-WDEREUQCSA-N 1 0 232.324 -1.008 20 0 BAADRO C[C@H]1NC(=O)N(CC[N@@H+]2CC[C@@H]2CO)C1=O ZINC000934020059 631619925 /nfs/dbraw/zinc/61/99/25/631619925.db2.gz VGHWKIKLCGMAPD-HTQZYQBOSA-N 1 0 227.264 -1.007 20 0 BAADRO C[C@@H]1NC(=O)N(CC[N@@H+]2CC[C@@H]2CO)C1=O ZINC000934020060 631621644 /nfs/dbraw/zinc/62/16/44/631621644.db2.gz VGHWKIKLCGMAPD-JGVFFNPUSA-N 1 0 227.264 -1.007 20 0 BAADRO C[C@H]1NC(=O)N(CC[N@@H+]2CC[C@H]2CO)C1=O ZINC000934020061 631619854 /nfs/dbraw/zinc/61/98/54/631619854.db2.gz VGHWKIKLCGMAPD-SFYZADRCSA-N 1 0 227.264 -1.007 20 0 BAADRO C[C@@H]1NC(=O)N(CC[N@@H+]2CC[C@H]2CO)C1=O ZINC000934020062 631620673 /nfs/dbraw/zinc/62/06/73/631620673.db2.gz VGHWKIKLCGMAPD-YUMQZZPRSA-N 1 0 227.264 -1.007 20 0 BAADRO CN(C)S(=O)(=O)CCN1CC[C@H]1CO ZINC000934020175 631619494 /nfs/dbraw/zinc/61/94/94/631619494.db2.gz XOEGWAYOCCZEEE-QMMMGPOBSA-N 1 0 222.310 -1.056 20 0 BAADRO CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H]1CO ZINC000934021661 631621218 /nfs/dbraw/zinc/62/12/18/631621218.db2.gz PNCVVGRZRJRNGN-SSDOTTSWSA-N 1 0 215.253 -1.101 20 0 BAADRO CNC(=O)NC(=O)CC[N@@H+]1CC[C@H]1CO ZINC000934021665 631622213 /nfs/dbraw/zinc/62/22/13/631622213.db2.gz PNCVVGRZRJRNGN-ZETCQYMHSA-N 1 0 215.253 -1.101 20 0 BAADRO COC(=O)CNC(=O)CC[N@@H+]1CC[C@@H]1CO ZINC000934023768 631624174 /nfs/dbraw/zinc/62/41/74/631624174.db2.gz LHGBOIGRLGPGAD-MRVPVSSYSA-N 1 0 230.264 -1.268 20 0 BAADRO COC(=O)CNC(=O)CC[N@@H+]1CC[C@H]1CO ZINC000934023769 631623094 /nfs/dbraw/zinc/62/30/94/631623094.db2.gz LHGBOIGRLGPGAD-QMMMGPOBSA-N 1 0 230.264 -1.268 20 0 BAADRO O=C(CN1CC[C@@H]1CO)N1CCNC1=O ZINC000934031647 631631941 /nfs/dbraw/zinc/63/19/41/631631941.db2.gz QXHKHXSWVKEBKT-SSDOTTSWSA-N 1 0 213.237 -1.395 20 0 BAADRO O=C(CN1CC[C@H]1CO)N1CCNC1=O ZINC000934031648 631630482 /nfs/dbraw/zinc/63/04/82/631630482.db2.gz QXHKHXSWVKEBKT-ZETCQYMHSA-N 1 0 213.237 -1.395 20 0 BAADRO CNC(=O)NC(=O)CN1CC[C@H]1CO ZINC000934031663 631630763 /nfs/dbraw/zinc/63/07/63/631630763.db2.gz RGONUCSZQVUHBW-LURJTMIESA-N 1 0 201.226 -1.491 20 0 BAADRO CNC(=O)NC(=O)CN1CC[C@@H]1CO ZINC000934031664 631630848 /nfs/dbraw/zinc/63/08/48/631630848.db2.gz RGONUCSZQVUHBW-ZCFIWIBFSA-N 1 0 201.226 -1.491 20 0 BAADRO CNC(=O)NC(=O)[C@H](C)N1CC[C@H]1CO ZINC000934032065 631631056 /nfs/dbraw/zinc/63/10/56/631631056.db2.gz UAAOTYONCORTIL-BQBZGAKWSA-N 1 0 215.253 -1.103 20 0 BAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1COCC[C@H]1OC ZINC000934042245 631624010 /nfs/dbraw/zinc/62/40/10/631624010.db2.gz QRNFYUZVUZXADM-HTQZYQBOSA-N 1 0 245.279 -1.165 20 0 BAADRO CC(C)(C)[NH2+]CCC(=O)NCC(=O)NCCO ZINC000934772453 641263937 /nfs/dbraw/zinc/26/39/37/641263937.db2.gz XNYZAJAXENLHGA-UHFFFAOYSA-N 1 0 245.323 -1.011 20 0 BAADRO C[C@H]1C(=O)NCCC[N@H+]1C[C@@H](O)CO ZINC000934810263 641275710 /nfs/dbraw/zinc/27/57/10/641275710.db2.gz BCCARHKLPRHEBW-JGVFFNPUSA-N 1 0 202.254 -1.450 20 0 BAADRO C[C@H]1C(=O)NCCC[N@H+]1C[C@H](O)CO ZINC000934810597 641277363 /nfs/dbraw/zinc/27/73/63/641277363.db2.gz BCCARHKLPRHEBW-YUMQZZPRSA-N 1 0 202.254 -1.450 20 0 BAADRO C[C@H](O)[C@@H](O)C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000934810681 641276207 /nfs/dbraw/zinc/27/62/07/641276207.db2.gz DACKDWFNFFFIDN-CIUDSAMLSA-N 1 0 216.281 -1.062 20 0 BAADRO C[C@@H](O)[C@H](O)C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000934810686 641276416 /nfs/dbraw/zinc/27/64/16/641276416.db2.gz DACKDWFNFFFIDN-DJLDLDEBSA-N 1 0 216.281 -1.062 20 0 BAADRO C[C@H](O)[C@H](O)C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000934810690 641277214 /nfs/dbraw/zinc/27/72/14/641277214.db2.gz DACKDWFNFFFIDN-XHNCKOQMSA-N 1 0 216.281 -1.062 20 0 BAADRO C[C@@H](O)[C@@H](O)C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000934810691 641275309 /nfs/dbraw/zinc/27/53/09/641275309.db2.gz DACKDWFNFFFIDN-YIZRAAEISA-N 1 0 216.281 -1.062 20 0 BAADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C(N)=O ZINC000935681401 632925847 /nfs/dbraw/zinc/92/58/47/632925847.db2.gz VQPAJGVBUUGSNS-BDAKNGLRSA-N 1 0 243.307 -1.178 20 0 BAADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C(N)=O ZINC000935681414 632926855 /nfs/dbraw/zinc/92/68/55/632926855.db2.gz VQPAJGVBUUGSNS-DTWKUNHWSA-N 1 0 243.307 -1.178 20 0 BAADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C(N)=O ZINC000935681415 632926138 /nfs/dbraw/zinc/92/61/38/632926138.db2.gz VQPAJGVBUUGSNS-IUCAKERBSA-N 1 0 243.307 -1.178 20 0 BAADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C(N)=O ZINC000935681417 632927540 /nfs/dbraw/zinc/92/75/40/632927540.db2.gz VQPAJGVBUUGSNS-RKDXNWHRSA-N 1 0 243.307 -1.178 20 0 BAADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)C(N)=O ZINC000935925942 641502946 /nfs/dbraw/zinc/50/29/46/641502946.db2.gz IELVIVUJDYMQCY-DTWKUNHWSA-N 1 0 243.307 -1.178 20 0 BAADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O ZINC000935925943 641503412 /nfs/dbraw/zinc/50/34/12/641503412.db2.gz IELVIVUJDYMQCY-IUCAKERBSA-N 1 0 243.307 -1.178 20 0 BAADRO CCn1cc(C(=O)N[C@@H](CO)C[NH+](C)C)nn1 ZINC000935982380 641512944 /nfs/dbraw/zinc/51/29/44/641512944.db2.gz XNERJXUESODCBU-MRVPVSSYSA-N 1 0 241.295 -1.050 20 0 BAADRO CCn1cc(C(=O)N[C@H](CO)C[NH+](C)C)nn1 ZINC000935982381 641513420 /nfs/dbraw/zinc/51/34/20/641513420.db2.gz XNERJXUESODCBU-QMMMGPOBSA-N 1 0 241.295 -1.050 20 0 BAADRO C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1[NH2+]CCO ZINC000939350459 642865479 /nfs/dbraw/zinc/86/54/79/642865479.db2.gz UYGYXFDUTHIZMN-HTQZYQBOSA-N 1 0 239.279 -1.153 20 0 BAADRO CC1(C)C[N@H+](CCO)CC[C@H]1NC(=O)C(N)=O ZINC000940996836 643062205 /nfs/dbraw/zinc/06/22/05/643062205.db2.gz IFYPXAGEHBSIBW-MRVPVSSYSA-N 1 0 243.307 -1.319 20 0 BAADRO CC1(C)C[N@H+](CCO)CC[C@@H]1NC(=O)C(N)=O ZINC000940996837 643063498 /nfs/dbraw/zinc/06/34/98/643063498.db2.gz IFYPXAGEHBSIBW-QMMMGPOBSA-N 1 0 243.307 -1.319 20 0 BAADRO CC[NH+]1CC(N2CCN(C(=O)C(N)=O)CC2)C1 ZINC000941542965 643100229 /nfs/dbraw/zinc/10/02/29/643100229.db2.gz DKTKHUJDZFHUNG-UHFFFAOYSA-N 1 0 240.307 -1.680 20 0 BAADRO COCC[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](C)C1 ZINC000942591274 643202927 /nfs/dbraw/zinc/20/29/27/643202927.db2.gz GZSSBHDBUOGSJC-BDAKNGLRSA-N 1 0 243.307 -1.055 20 0 BAADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](C)C1 ZINC000942591275 643203206 /nfs/dbraw/zinc/20/32/06/643203206.db2.gz GZSSBHDBUOGSJC-DTWKUNHWSA-N 1 0 243.307 -1.055 20 0 BAADRO COCC[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](C)C1 ZINC000942591276 643203956 /nfs/dbraw/zinc/20/39/56/643203956.db2.gz GZSSBHDBUOGSJC-IUCAKERBSA-N 1 0 243.307 -1.055 20 0 BAADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](C)C1 ZINC000942591277 643203112 /nfs/dbraw/zinc/20/31/12/643203112.db2.gz GZSSBHDBUOGSJC-RKDXNWHRSA-N 1 0 243.307 -1.055 20 0 BAADRO C[C@@H]1C[N@H+](CCO)CC[C@H]1NC(=O)C(N)=O ZINC000942594682 643202440 /nfs/dbraw/zinc/20/24/40/643202440.db2.gz MHLVVYDTWCENCI-HTQZYQBOSA-N 1 0 229.280 -1.709 20 0 BAADRO C[C@H]1C[N@H+](CCO)CC[C@H]1NC(=O)C(N)=O ZINC000942594683 643203878 /nfs/dbraw/zinc/20/38/78/643203878.db2.gz MHLVVYDTWCENCI-JGVFFNPUSA-N 1 0 229.280 -1.709 20 0 BAADRO C[C@@H]1C[N@H+](CCO)CC[C@@H]1NC(=O)C(N)=O ZINC000942594684 643203377 /nfs/dbraw/zinc/20/33/77/643203377.db2.gz MHLVVYDTWCENCI-SFYZADRCSA-N 1 0 229.280 -1.709 20 0 BAADRO C[C@H]1C[N@H+](CCO)CC[C@@H]1NC(=O)C(N)=O ZINC000942594685 643202971 /nfs/dbraw/zinc/20/29/71/643202971.db2.gz MHLVVYDTWCENCI-YUMQZZPRSA-N 1 0 229.280 -1.709 20 0 BAADRO C[C@@H]1C[N@H+](CCCO)CC[C@@H]1NC(=O)C(N)=O ZINC000942594746 643203520 /nfs/dbraw/zinc/20/35/20/643203520.db2.gz NORVQEPQHGGORN-BDAKNGLRSA-N 1 0 243.307 -1.319 20 0 BAADRO C[C@H]1C[N@H+](CCCO)CC[C@H]1NC(=O)C(N)=O ZINC000942594747 643202696 /nfs/dbraw/zinc/20/26/96/643202696.db2.gz NORVQEPQHGGORN-DTWKUNHWSA-N 1 0 243.307 -1.319 20 0 BAADRO C[C@H]1C[N@H+](CCCO)CC[C@@H]1NC(=O)C(N)=O ZINC000942594748 643204204 /nfs/dbraw/zinc/20/42/04/643204204.db2.gz NORVQEPQHGGORN-IUCAKERBSA-N 1 0 243.307 -1.319 20 0 BAADRO C[C@@H]1C[N@H+](CCCO)CC[C@H]1NC(=O)C(N)=O ZINC000942594749 643203061 /nfs/dbraw/zinc/20/30/61/643203061.db2.gz NORVQEPQHGGORN-RKDXNWHRSA-N 1 0 243.307 -1.319 20 0 BAADRO C[C@@H]1C[C@@H](NC(=O)C(N)=O)CC[N@@H+]1CCCO ZINC000947679522 634081901 /nfs/dbraw/zinc/08/19/01/634081901.db2.gz LSUGLRAXSZPPCS-BDAKNGLRSA-N 1 0 243.307 -1.177 20 0 BAADRO C[C@H]1C[C@H](NC(=O)C(N)=O)CC[N@@H+]1CCCO ZINC000947679523 634082453 /nfs/dbraw/zinc/08/24/53/634082453.db2.gz LSUGLRAXSZPPCS-DTWKUNHWSA-N 1 0 243.307 -1.177 20 0 BAADRO C[C@H]1C[C@@H](NC(=O)C(N)=O)CC[N@@H+]1CCCO ZINC000947679524 634082770 /nfs/dbraw/zinc/08/27/70/634082770.db2.gz LSUGLRAXSZPPCS-IUCAKERBSA-N 1 0 243.307 -1.177 20 0 BAADRO C[C@@H]1C[C@H](NC(=O)C(N)=O)CC[N@@H+]1CCCO ZINC000947679525 634081773 /nfs/dbraw/zinc/08/17/73/634081773.db2.gz LSUGLRAXSZPPCS-RKDXNWHRSA-N 1 0 243.307 -1.177 20 0 BAADRO C[C@@H]1C[C@H](NC(=O)C(N)=O)CC[N@@H+]1CCO ZINC000947680338 634087660 /nfs/dbraw/zinc/08/76/60/634087660.db2.gz RWEFNWLXOLANPU-HTQZYQBOSA-N 1 0 229.280 -1.567 20 0 BAADRO C[C@H]1C[C@H](NC(=O)C(N)=O)CC[N@@H+]1CCO ZINC000947680339 634087254 /nfs/dbraw/zinc/08/72/54/634087254.db2.gz RWEFNWLXOLANPU-JGVFFNPUSA-N 1 0 229.280 -1.567 20 0 BAADRO C[C@@H]1C[C@@H](NC(=O)C(N)=O)CC[N@@H+]1CCO ZINC000947680340 634086724 /nfs/dbraw/zinc/08/67/24/634086724.db2.gz RWEFNWLXOLANPU-SFYZADRCSA-N 1 0 229.280 -1.567 20 0 BAADRO C[C@H]1C[C@@H](NC(=O)C(N)=O)CC[N@@H+]1CCO ZINC000947680341 634087637 /nfs/dbraw/zinc/08/76/37/634087637.db2.gz RWEFNWLXOLANPU-YUMQZZPRSA-N 1 0 229.280 -1.567 20 0 BAADRO CN(C(=O)C(N)=O)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000948738418 641822969 /nfs/dbraw/zinc/82/29/69/641822969.db2.gz VXUFKCBPQCABTO-SECBINFHSA-N 1 0 243.307 -1.223 20 0 BAADRO CN(C(=O)C(N)=O)[C@H]1CCC[N@H+](CCO)CC1 ZINC000948738427 641823048 /nfs/dbraw/zinc/82/30/48/641823048.db2.gz VXUFKCBPQCABTO-VIFPVBQESA-N 1 0 243.307 -1.223 20 0 BAADRO NC(=O)C1(C(=O)N2CCN(CCO)CC2)CC1 ZINC000949982921 634362333 /nfs/dbraw/zinc/36/23/33/634362333.db2.gz IAQHGCUMEKXEJN-UHFFFAOYSA-N 1 0 241.291 -1.612 20 0 BAADRO O=C(Cc1nnc[nH]1)N1CCN(CCO)CC1 ZINC000957134941 644687821 /nfs/dbraw/zinc/68/78/21/644687821.db2.gz OVZXWLCNMVWEPL-UHFFFAOYSA-N 1 0 239.279 -1.516 20 0 BAADRO CC(=O)NC[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC000957789729 644755036 /nfs/dbraw/zinc/75/50/36/644755036.db2.gz YFGHVDSKRFCVLT-NXEZZACHSA-N 1 0 216.281 -1.202 20 0 BAADRO CC(=O)NC[C@H]1C[N@H+](CCCO)C[C@@H]1O ZINC000957789730 644754879 /nfs/dbraw/zinc/75/48/79/644754879.db2.gz YFGHVDSKRFCVLT-UWVGGRQHSA-N 1 0 216.281 -1.202 20 0 BAADRO CC(=O)NC[C@H]1C[N@H+](CCCO)C[C@H]1O ZINC000957789731 644753911 /nfs/dbraw/zinc/75/39/11/644753911.db2.gz YFGHVDSKRFCVLT-VHSXEESVSA-N 1 0 216.281 -1.202 20 0 BAADRO CC(=O)NC[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC000957789732 644754713 /nfs/dbraw/zinc/75/47/13/644754713.db2.gz YFGHVDSKRFCVLT-ZJUUUORDSA-N 1 0 216.281 -1.202 20 0 BAADRO CC(=O)NC[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC000957793079 644753924 /nfs/dbraw/zinc/75/39/24/644753924.db2.gz IKXLBMBGRGUADW-BDAKNGLRSA-N 1 0 202.254 -1.593 20 0 BAADRO CC(=O)NC[C@H]1C[N@H+](CCO)C[C@H]1O ZINC000957793080 644754136 /nfs/dbraw/zinc/75/41/36/644754136.db2.gz IKXLBMBGRGUADW-DTWKUNHWSA-N 1 0 202.254 -1.593 20 0 BAADRO CC(=O)NC[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC000957793081 644755672 /nfs/dbraw/zinc/75/56/72/644755672.db2.gz IKXLBMBGRGUADW-IUCAKERBSA-N 1 0 202.254 -1.593 20 0 BAADRO CC(=O)NC[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC000957793083 644753598 /nfs/dbraw/zinc/75/35/98/644753598.db2.gz IKXLBMBGRGUADW-RKDXNWHRSA-N 1 0 202.254 -1.593 20 0 BAADRO O=C(NC[C@@H]1C[N@H+](CCO)C[C@H]1O)C1CC1 ZINC000957798489 644753679 /nfs/dbraw/zinc/75/36/79/644753679.db2.gz SYXFYJVNSBVPLI-NXEZZACHSA-N 1 0 228.292 -1.202 20 0 BAADRO O=C(NC[C@H]1C[N@H+](CCO)C[C@@H]1O)C1CC1 ZINC000957798490 644753849 /nfs/dbraw/zinc/75/38/49/644753849.db2.gz SYXFYJVNSBVPLI-UWVGGRQHSA-N 1 0 228.292 -1.202 20 0 BAADRO O=C(NC[C@H]1C[N@H+](CCO)C[C@H]1O)C1CC1 ZINC000957798492 644755282 /nfs/dbraw/zinc/75/52/82/644755282.db2.gz SYXFYJVNSBVPLI-VHSXEESVSA-N 1 0 228.292 -1.202 20 0 BAADRO O=C(NC[C@@H]1C[N@H+](CCO)C[C@@H]1O)C1CC1 ZINC000957798493 644754654 /nfs/dbraw/zinc/75/46/54/644754654.db2.gz SYXFYJVNSBVPLI-ZJUUUORDSA-N 1 0 228.292 -1.202 20 0 BAADRO CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000957993505 644767791 /nfs/dbraw/zinc/76/77/91/644767791.db2.gz XVKYKOSQMDUMHN-QCLAVDOMSA-N 1 0 223.276 -1.059 20 0 BAADRO CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000957993506 644767077 /nfs/dbraw/zinc/76/70/77/644767077.db2.gz XVKYKOSQMDUMHN-RGOKHQFPSA-N 1 0 223.276 -1.059 20 0 BAADRO CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC000958184861 644780944 /nfs/dbraw/zinc/78/09/44/644780944.db2.gz IIQWXGKCGQSFDQ-MBTKJCJQSA-N 1 0 236.279 -1.261 20 0 BAADRO CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC000958206521 712834594 /nfs/dbraw/zinc/83/45/94/712834594.db2.gz KZYBMPWOVHSZNC-APPZFPTMSA-N 1 0 239.279 -1.153 20 0 BAADRO CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC000958206523 712834879 /nfs/dbraw/zinc/83/48/79/712834879.db2.gz KZYBMPWOVHSZNC-CBAPKCEASA-N 1 0 239.279 -1.153 20 0 BAADRO CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC000958206524 712834792 /nfs/dbraw/zinc/83/47/92/712834792.db2.gz KZYBMPWOVHSZNC-IONNQARKSA-N 1 0 239.279 -1.153 20 0 BAADRO CC[N@H+]1C[C@@H](CNC(=O)c2cn[nH]n2)[C@H](O)C1 ZINC000958206526 712834584 /nfs/dbraw/zinc/83/45/84/712834584.db2.gz KZYBMPWOVHSZNC-VXNVDRBHSA-N 1 0 239.279 -1.153 20 0 BAADRO CC[N@H+]1C[C@@H](CNC(=O)c2nnc[nH]2)[C@H](O)C1 ZINC000958502523 644801143 /nfs/dbraw/zinc/80/11/43/644801143.db2.gz DAUNIDKEKROZTI-HTQZYQBOSA-N 1 0 239.279 -1.153 20 0 BAADRO CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC000958502524 644801120 /nfs/dbraw/zinc/80/11/20/644801120.db2.gz DAUNIDKEKROZTI-JGVFFNPUSA-N 1 0 239.279 -1.153 20 0 BAADRO CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2nnc[nH]2)C1 ZINC000958502525 644800597 /nfs/dbraw/zinc/80/05/97/644800597.db2.gz DAUNIDKEKROZTI-SFYZADRCSA-N 1 0 239.279 -1.153 20 0 BAADRO CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC000958502526 644800229 /nfs/dbraw/zinc/80/02/29/644800229.db2.gz DAUNIDKEKROZTI-YUMQZZPRSA-N 1 0 239.279 -1.153 20 0 BAADRO CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC000959901383 642655378 /nfs/dbraw/zinc/65/53/78/642655378.db2.gz MPEORGYRKMAIFY-MBTKJCJQSA-N 1 0 236.279 -1.261 20 0 BAADRO O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)c1cn[nH]n1 ZINC000960724847 642671158 /nfs/dbraw/zinc/67/11/58/642671158.db2.gz VJKZICJQHCCPGX-QMSLJYSESA-N 1 0 237.263 -1.543 20 0 BAADRO CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC000961501518 642693104 /nfs/dbraw/zinc/69/31/04/642693104.db2.gz XNCMTNCNXGXIMI-JIGDXULJSA-N 1 0 236.279 -1.110 20 0 BAADRO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CCCF)C[C@H]21 ZINC000961635836 642698084 /nfs/dbraw/zinc/69/80/84/642698084.db2.gz GXKOYXDUBDHIJP-JIGDXULJSA-N 1 0 229.255 -1.122 20 0 BAADRO CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC000961636790 642696704 /nfs/dbraw/zinc/69/67/04/642696704.db2.gz JFQUKKYIMQSNOM-UYXSQOIJSA-N 1 0 238.291 -1.266 20 0 BAADRO CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC000961636791 642697959 /nfs/dbraw/zinc/69/79/59/642697959.db2.gz JFQUKKYIMQSNOM-XAVMHZPKSA-N 1 0 238.291 -1.266 20 0 BAADRO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC000961641107 642697821 /nfs/dbraw/zinc/69/78/21/642697821.db2.gz RBUWZFWNWBJWBX-BRPSZJMVSA-N 1 0 223.276 -1.072 20 0 BAADRO C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961643733 642697766 /nfs/dbraw/zinc/69/77/66/642697766.db2.gz BXTSPXKDYRJEGF-NGJRWZKOSA-N 1 0 227.264 -2.101 20 0 BAADRO C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961643735 642696826 /nfs/dbraw/zinc/69/68/26/642696826.db2.gz BXTSPXKDYRJEGF-RULNZFCNSA-N 1 0 227.264 -2.101 20 0 BAADRO COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961645950 642699429 /nfs/dbraw/zinc/69/94/29/642699429.db2.gz GRIDUNHBMZEXLT-JIGDXULJSA-N 1 0 227.264 -1.836 20 0 BAADRO CO[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961650323 642699870 /nfs/dbraw/zinc/69/98/70/642699870.db2.gz QZIIOHHQMHPTGQ-HXFLIBJXSA-N 1 0 241.291 -1.447 20 0 BAADRO CO[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961650337 642700219 /nfs/dbraw/zinc/70/02/19/642700219.db2.gz QZIIOHHQMHPTGQ-RBXMUDONSA-N 1 0 241.291 -1.447 20 0 BAADRO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961651426 642699690 /nfs/dbraw/zinc/69/96/90/642699690.db2.gz VKXPAWXPYZMICA-JWXFUTCRSA-N 1 0 240.263 -2.608 20 0 BAADRO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961651429 642699270 /nfs/dbraw/zinc/69/92/70/642699270.db2.gz VKXPAWXPYZMICA-VWDOSNQTSA-N 1 0 240.263 -2.608 20 0 BAADRO COC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961651938 642698962 /nfs/dbraw/zinc/69/89/62/642698962.db2.gz BERBLFUQNBVHQA-HXFLIBJXSA-N 1 0 241.291 -1.447 20 0 BAADRO COC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961651940 642700157 /nfs/dbraw/zinc/70/01/57/642700157.db2.gz BERBLFUQNBVHQA-RBXMUDONSA-N 1 0 241.291 -1.447 20 0 BAADRO CC(C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961654034 642699436 /nfs/dbraw/zinc/69/94/36/642699436.db2.gz BNCZKHGHMOITAW-JIGDXULJSA-N 1 0 211.265 -1.074 20 0 BAADRO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC000961657857 642700315 /nfs/dbraw/zinc/70/03/15/642700315.db2.gz MAXWWKHBOAEKJF-JIGDXULJSA-N 1 0 227.264 -2.100 20 0 BAADRO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000961658484 642698794 /nfs/dbraw/zinc/69/87/94/642698794.db2.gz NDPFINGLJCWTHO-ZMONIFLSSA-N 1 0 213.237 -2.490 20 0 BAADRO CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961667419 642697974 /nfs/dbraw/zinc/69/79/74/642697974.db2.gz KTBTVERKZBUMNI-JIGDXULJSA-N 1 0 211.265 -1.072 20 0 BAADRO O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)c1nnc[nH]1 ZINC000962090679 642715760 /nfs/dbraw/zinc/71/57/60/642715760.db2.gz WWNYEPNVIUUGOK-JIGDXULJSA-N 1 0 237.263 -1.543 20 0 BAADRO O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)c1cnon1 ZINC000962101794 642715712 /nfs/dbraw/zinc/71/57/12/642715712.db2.gz QOFZANSYWFUYCQ-QMSLJYSESA-N 1 0 238.247 -1.278 20 0 BAADRO CN(C(=O)C(N)=O)C1CCC([NH2+]CCO)CC1 ZINC000963854519 642748312 /nfs/dbraw/zinc/74/83/12/642748312.db2.gz NCDKCNOREMQTSU-UHFFFAOYSA-N 1 0 243.307 -1.177 20 0 BAADRO NC(=O)C(=O)NC1CC2(C1)CC([NH2+]CCO)C2 ZINC000964812398 642765184 /nfs/dbraw/zinc/76/51/84/642765184.db2.gz FUCPXVANZQAAHR-UHFFFAOYSA-N 1 0 241.291 -1.519 20 0 BAADRO COCC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000965960612 642775529 /nfs/dbraw/zinc/77/55/29/642775529.db2.gz DUMNFNRROSMOJQ-SSDOTTSWSA-N 1 0 215.253 -1.691 20 0 BAADRO COCC(=O)N1CC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC000965960637 642775323 /nfs/dbraw/zinc/77/53/23/642775323.db2.gz GJIDTCHCBKVCLM-HTQZYQBOSA-N 1 0 229.280 -1.303 20 0 BAADRO COCC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC000965960638 642774308 /nfs/dbraw/zinc/77/43/08/642774308.db2.gz GJIDTCHCBKVCLM-JGVFFNPUSA-N 1 0 229.280 -1.303 20 0 BAADRO COCC(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000965960889 642775560 /nfs/dbraw/zinc/77/55/60/642775560.db2.gz UQELMICNBLUWCL-BDAKNGLRSA-N 1 0 241.291 -1.288 20 0 BAADRO COCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000965960890 642775427 /nfs/dbraw/zinc/77/54/27/642775427.db2.gz UQELMICNBLUWCL-RKDXNWHRSA-N 1 0 241.291 -1.288 20 0 BAADRO NC(=O)C[NH2+][C@@H]1CCN(C(=O)C(F)F)C1 ZINC000965968674 642779252 /nfs/dbraw/zinc/77/92/52/642779252.db2.gz ZEDRHISFFNLXKA-RXMQYKEDSA-N 1 0 221.207 -1.073 20 0 BAADRO COCC(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000965972100 711471466 /nfs/dbraw/zinc/47/14/66/711471466.db2.gz UTKBBLKHNPVPGM-MRVPVSSYSA-N 1 0 202.254 -1.184 20 0 BAADRO NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnccn2)C1 ZINC000966495664 642788645 /nfs/dbraw/zinc/78/86/45/642788645.db2.gz QNCMCRDYYSOHDZ-MRVPVSSYSA-N 1 0 249.274 -1.234 20 0 BAADRO NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC000966859294 642791318 /nfs/dbraw/zinc/79/13/18/642791318.db2.gz YQAFXFQQMHCBFD-BDAKNGLRSA-N 1 0 241.291 -1.159 20 0 BAADRO NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC000966859297 642790611 /nfs/dbraw/zinc/79/06/11/642790611.db2.gz YQAFXFQQMHCBFD-RKDXNWHRSA-N 1 0 241.291 -1.159 20 0 BAADRO O=C(Cn1cnnn1)N1CC[C@@H]([NH2+]CCF)C1 ZINC000966888582 642794016 /nfs/dbraw/zinc/79/40/16/642794016.db2.gz BSBKWALJFIYRHD-MRVPVSSYSA-N 1 0 242.258 -1.167 20 0 BAADRO O=C(Cn1cnnn1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000966892594 642795044 /nfs/dbraw/zinc/79/50/44/642795044.db2.gz PBHAXAGZCIYUSL-MRVPVSSYSA-N 1 0 240.267 -2.144 20 0 BAADRO O=C([C@H]1COCCO1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000967288410 642797914 /nfs/dbraw/zinc/79/79/14/642797914.db2.gz IKILSCGJWZCXDV-NXEZZACHSA-N 1 0 244.291 -1.415 20 0 BAADRO O=C([C@@H]1COCCO1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000967288417 642798436 /nfs/dbraw/zinc/79/84/36/642798436.db2.gz IKILSCGJWZCXDV-ZJUUUORDSA-N 1 0 244.291 -1.415 20 0 BAADRO NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC000967344186 642797190 /nfs/dbraw/zinc/79/71/90/642797190.db2.gz RTFMHBVPGZRRGC-MRVPVSSYSA-N 1 0 237.263 -1.301 20 0 BAADRO NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccon2)C1 ZINC000967375254 642799264 /nfs/dbraw/zinc/79/92/64/642799264.db2.gz DGJWBXCPYWEJQX-SSDOTTSWSA-N 1 0 238.247 -1.036 20 0 BAADRO CO[C@H](C)C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000967430310 642800742 /nfs/dbraw/zinc/80/07/42/642800742.db2.gz YICHPIAARLAINI-HTQZYQBOSA-N 1 0 229.280 -1.303 20 0 BAADRO CO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000967430313 642800330 /nfs/dbraw/zinc/80/03/30/642800330.db2.gz YICHPIAARLAINI-JGVFFNPUSA-N 1 0 229.280 -1.303 20 0 BAADRO NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCOC2)C1 ZINC000967567257 642800286 /nfs/dbraw/zinc/80/02/86/642800286.db2.gz UUGBBBSNQAUBET-DTWKUNHWSA-N 1 0 241.291 -1.301 20 0 BAADRO NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC000967567258 642801423 /nfs/dbraw/zinc/80/14/23/642801423.db2.gz UUGBBBSNQAUBET-RKDXNWHRSA-N 1 0 241.291 -1.301 20 0 BAADRO NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cocn2)C1 ZINC000967715118 642802590 /nfs/dbraw/zinc/80/25/90/642802590.db2.gz VFUPUZZCYSSSEL-SSDOTTSWSA-N 1 0 238.247 -1.036 20 0 BAADRO O=C([C@H]1CCC(=O)N1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000967748080 642804367 /nfs/dbraw/zinc/80/43/67/642804367.db2.gz FJGOOAXSFFVNKM-RKDXNWHRSA-N 1 0 241.291 -1.552 20 0 BAADRO NC(=O)CC(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000968122248 712897981 /nfs/dbraw/zinc/89/79/81/712897981.db2.gz FFPYYWUKFNFQQF-SSDOTTSWSA-N 1 0 215.253 -1.955 20 0 BAADRO C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000968123798 712898137 /nfs/dbraw/zinc/89/81/37/712898137.db2.gz KZEOQTPWZIELJB-HTQZYQBOSA-N 1 0 229.280 -1.567 20 0 BAADRO C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000968123804 712898157 /nfs/dbraw/zinc/89/81/57/712898157.db2.gz KZEOQTPWZIELJB-JGVFFNPUSA-N 1 0 229.280 -1.567 20 0 BAADRO NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000968125219 712898070 /nfs/dbraw/zinc/89/80/70/712898070.db2.gz VWJVLPJDJRDWCP-ZCFIWIBFSA-N 1 0 228.252 -2.462 20 0 BAADRO COCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(N)=O)C1 ZINC000968127768 712898056 /nfs/dbraw/zinc/89/80/56/712898056.db2.gz DXSOZJGJJULQRR-BDAKNGLRSA-N 1 0 243.307 -1.055 20 0 BAADRO COCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC000968127777 712898244 /nfs/dbraw/zinc/89/82/44/712898244.db2.gz DXSOZJGJJULQRR-DTWKUNHWSA-N 1 0 243.307 -1.055 20 0 BAADRO COCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C(N)=O)C1 ZINC000968127781 712898089 /nfs/dbraw/zinc/89/80/89/712898089.db2.gz DXSOZJGJJULQRR-IUCAKERBSA-N 1 0 243.307 -1.055 20 0 BAADRO COCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC000968127782 712898261 /nfs/dbraw/zinc/89/82/61/712898261.db2.gz DXSOZJGJJULQRR-RKDXNWHRSA-N 1 0 243.307 -1.055 20 0 BAADRO C[C@@H]1CC[N@H+](CCO)C[C@H]1NC(=O)C(N)=O ZINC000968150572 642806487 /nfs/dbraw/zinc/80/64/87/642806487.db2.gz GSZJJVZBRIIQQI-HTQZYQBOSA-N 1 0 229.280 -1.709 20 0 BAADRO C[C@H]1CC[N@H+](CCO)C[C@H]1NC(=O)C(N)=O ZINC000968150574 642807010 /nfs/dbraw/zinc/80/70/10/642807010.db2.gz GSZJJVZBRIIQQI-JGVFFNPUSA-N 1 0 229.280 -1.709 20 0 BAADRO C[C@@H]1CC[N@H+](CCO)C[C@@H]1NC(=O)C(N)=O ZINC000968150576 642805851 /nfs/dbraw/zinc/80/58/51/642805851.db2.gz GSZJJVZBRIIQQI-SFYZADRCSA-N 1 0 229.280 -1.709 20 0 BAADRO C[C@H]1CC[N@H+](CCO)C[C@@H]1NC(=O)C(N)=O ZINC000968150577 642806724 /nfs/dbraw/zinc/80/67/24/642806724.db2.gz GSZJJVZBRIIQQI-YUMQZZPRSA-N 1 0 229.280 -1.709 20 0 BAADRO C[C@@H]1CC[N@H+](CCCO)C[C@@H]1NC(=O)C(N)=O ZINC000968152148 642806320 /nfs/dbraw/zinc/80/63/20/642806320.db2.gz JWJGRQXTMCARMO-BDAKNGLRSA-N 1 0 243.307 -1.319 20 0 BAADRO C[C@H]1CC[N@H+](CCCO)C[C@H]1NC(=O)C(N)=O ZINC000968152149 642807032 /nfs/dbraw/zinc/80/70/32/642807032.db2.gz JWJGRQXTMCARMO-DTWKUNHWSA-N 1 0 243.307 -1.319 20 0 BAADRO C[C@H]1CC[N@H+](CCCO)C[C@@H]1NC(=O)C(N)=O ZINC000968152151 642806192 /nfs/dbraw/zinc/80/61/92/642806192.db2.gz JWJGRQXTMCARMO-IUCAKERBSA-N 1 0 243.307 -1.319 20 0 BAADRO C[C@@H]1CC[N@H+](CCCO)C[C@H]1NC(=O)C(N)=O ZINC000968152152 642805705 /nfs/dbraw/zinc/80/57/05/642805705.db2.gz JWJGRQXTMCARMO-RKDXNWHRSA-N 1 0 243.307 -1.319 20 0 BAADRO NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cncnc2)C1 ZINC000968482075 642812455 /nfs/dbraw/zinc/81/24/55/642812455.db2.gz SVSYRIBATSNRQQ-SECBINFHSA-N 1 0 249.274 -1.234 20 0 BAADRO CC(C)(O)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000968536936 642812730 /nfs/dbraw/zinc/81/27/30/642812730.db2.gz HZJKCKXHBSAYHP-MRVPVSSYSA-N 1 0 243.307 -1.177 20 0 BAADRO Cn1nncc1C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000968552677 642815299 /nfs/dbraw/zinc/81/52/99/642815299.db2.gz CQAHKMJDXSLQQT-MRVPVSSYSA-N 1 0 239.279 -1.389 20 0 BAADRO O=C([C@H]1COC(=O)N1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000968555874 642813876 /nfs/dbraw/zinc/81/38/76/642813876.db2.gz FVDOUHWMFLLZOB-HTQZYQBOSA-N 1 0 243.263 -1.722 20 0 BAADRO O=C([C@@H]1COC(=O)N1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000968555875 642814952 /nfs/dbraw/zinc/81/49/52/642814952.db2.gz FVDOUHWMFLLZOB-SFYZADRCSA-N 1 0 243.263 -1.722 20 0 BAADRO CC(C)[C@@H](O)C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000968563165 642814043 /nfs/dbraw/zinc/81/40/43/642814043.db2.gz GTSGOYCXZQAIDD-PSASIEDQSA-N 1 0 243.307 -1.321 20 0 BAADRO Cn1cc(C(=O)N2CC[C@@H]([NH2+]CCO)C2)nn1 ZINC000968571914 642814759 /nfs/dbraw/zinc/81/47/59/642814759.db2.gz GEIAGFQUQGJFFJ-MRVPVSSYSA-N 1 0 239.279 -1.389 20 0 BAADRO Cn1cnc(C(=O)N2CC[C@@H]([NH2+]CCO)C2)n1 ZINC000968572798 642815092 /nfs/dbraw/zinc/81/50/92/642815092.db2.gz XHSSNFLLFWQHEO-MRVPVSSYSA-N 1 0 239.279 -1.389 20 0 BAADRO NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC000968613080 642816218 /nfs/dbraw/zinc/81/62/18/642816218.db2.gz BSWWZRJKUOCZRI-SSDOTTSWSA-N 1 0 237.263 -1.301 20 0 BAADRO O=C(Cn1ncnn1)N1CC[C@@H]([NH2+]CCF)C1 ZINC000968683327 642818169 /nfs/dbraw/zinc/81/81/69/642818169.db2.gz GHKYYBZDLFGHDC-MRVPVSSYSA-N 1 0 242.258 -1.167 20 0 BAADRO CC[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000968683537 642817621 /nfs/dbraw/zinc/81/76/21/642817621.db2.gz PQDSYDXQCZHJTL-MRVPVSSYSA-N 1 0 224.268 -1.117 20 0 BAADRO O=C(Cn1ncnn1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000968700187 642817611 /nfs/dbraw/zinc/81/76/11/642817611.db2.gz XCNDFTNDHGPOBT-MRVPVSSYSA-N 1 0 240.267 -2.144 20 0 BAADRO O=C(Cn1nccn1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000968801951 642819008 /nfs/dbraw/zinc/81/90/08/642819008.db2.gz AFOHMCKRRULHNL-SECBINFHSA-N 1 0 239.279 -1.539 20 0 BAADRO CC(C)(C(N)=O)C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000968988884 642821426 /nfs/dbraw/zinc/82/14/26/642821426.db2.gz CYQLEXSKAXDTIY-MRVPVSSYSA-N 1 0 243.307 -1.319 20 0 BAADRO NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC000969175459 643094317 /nfs/dbraw/zinc/09/43/17/643094317.db2.gz OXEQVACONHPPKJ-ZCFIWIBFSA-N 1 0 238.251 -1.906 20 0 BAADRO C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC000969180059 643100088 /nfs/dbraw/zinc/10/00/88/643100088.db2.gz DOFLOZUCZDDKKP-HTQZYQBOSA-N 1 0 239.279 -1.010 20 0 BAADRO C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC000969180060 643098544 /nfs/dbraw/zinc/09/85/44/643098544.db2.gz DOFLOZUCZDDKKP-JGVFFNPUSA-N 1 0 239.279 -1.010 20 0 BAADRO O=C(c1cn[nH]n1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969181699 643099491 /nfs/dbraw/zinc/09/94/91/643099491.db2.gz BMNDZVOEZOMYOL-SSDOTTSWSA-N 1 0 225.252 -1.399 20 0 BAADRO NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnco2)C1 ZINC000969509476 643183093 /nfs/dbraw/zinc/18/30/93/643183093.db2.gz NMWYJIORPPRNKJ-SSDOTTSWSA-N 1 0 238.247 -1.036 20 0 BAADRO Cc1n[nH]nc1C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969545577 643189171 /nfs/dbraw/zinc/18/91/71/643189171.db2.gz DUTRLYSOWVDVGB-MRVPVSSYSA-N 1 0 239.279 -1.090 20 0 BAADRO O=C([C@H]1CCNC1=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969578055 643193315 /nfs/dbraw/zinc/19/33/15/643193315.db2.gz LUIDSAZLYNIAAW-BDAKNGLRSA-N 1 0 241.291 -1.695 20 0 BAADRO O=C([C@@H]1CCNC1=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969578056 643193728 /nfs/dbraw/zinc/19/37/28/643193728.db2.gz LUIDSAZLYNIAAW-RKDXNWHRSA-N 1 0 241.291 -1.695 20 0 BAADRO Cn1nnc(C(=O)N2CC[C@@H]([NH2+]CCO)C2)n1 ZINC000969624368 643200787 /nfs/dbraw/zinc/20/07/87/643200787.db2.gz YLPPJINELBMZKD-SSDOTTSWSA-N 1 0 240.267 -1.994 20 0 BAADRO Cn1nnc(C(=O)N2CC[C@@H]([NH2+]CCF)C2)n1 ZINC000969626159 643200888 /nfs/dbraw/zinc/20/08/88/643200888.db2.gz QPNHPTBYTSGPJJ-SSDOTTSWSA-N 1 0 242.258 -1.016 20 0 BAADRO O=C([C@H]1CNC(=O)N1)N1CC[C@@H]([NH2+]CCF)C1 ZINC000969766368 643218651 /nfs/dbraw/zinc/21/86/51/643218651.db2.gz MQINRGAZKYDWFO-HTQZYQBOSA-N 1 0 244.270 -1.172 20 0 BAADRO O=C([C@@H]1CNC(=O)N1)N1CC[C@@H]([NH2+]CCF)C1 ZINC000969766369 643219187 /nfs/dbraw/zinc/21/91/87/643219187.db2.gz MQINRGAZKYDWFO-SFYZADRCSA-N 1 0 244.270 -1.172 20 0 BAADRO O=C([C@H]1CNC(=O)N1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969771188 643218576 /nfs/dbraw/zinc/21/85/76/643218576.db2.gz SUFFCRGXRUEVAX-HTQZYQBOSA-N 1 0 242.279 -2.149 20 0 BAADRO O=C([C@@H]1CNC(=O)N1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969771189 643219122 /nfs/dbraw/zinc/21/91/22/643219122.db2.gz SUFFCRGXRUEVAX-SFYZADRCSA-N 1 0 242.279 -2.149 20 0 BAADRO CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000969771229 643217928 /nfs/dbraw/zinc/21/79/28/643217928.db2.gz UJPLYPTYTAJSGD-HTQZYQBOSA-N 1 0 226.280 -1.122 20 0 BAADRO CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000969771230 643217853 /nfs/dbraw/zinc/21/78/53/643217853.db2.gz UJPLYPTYTAJSGD-SFYZADRCSA-N 1 0 226.280 -1.122 20 0 BAADRO NC(=O)C(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000969777050 643218597 /nfs/dbraw/zinc/21/85/97/643218597.db2.gz KSLWKABTOQPUAL-RNFRBKRXSA-N 1 0 240.263 -2.449 20 0 BAADRO NC(=O)C(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000969777051 643219111 /nfs/dbraw/zinc/21/91/11/643219111.db2.gz KSLWKABTOQPUAL-RQJHMYQMSA-N 1 0 240.263 -2.449 20 0 BAADRO NC(=O)C[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000969777976 643217962 /nfs/dbraw/zinc/21/79/62/643217962.db2.gz SNOQMEHIRHWVDC-RXMQYKEDSA-N 1 0 214.225 -2.853 20 0 BAADRO C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000969784583 643220643 /nfs/dbraw/zinc/22/06/43/643220643.db2.gz XPYUZAKXZRGUOQ-NKWVEPMBSA-N 1 0 215.253 -1.957 20 0 BAADRO C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000969784584 643220982 /nfs/dbraw/zinc/22/09/82/643220982.db2.gz XPYUZAKXZRGUOQ-RNFRBKRXSA-N 1 0 215.253 -1.957 20 0 BAADRO NC(=O)C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969784888 643220680 /nfs/dbraw/zinc/22/06/80/643220680.db2.gz CJHKESPLLYRZSU-ZCFIWIBFSA-N 1 0 201.226 -2.346 20 0 BAADRO NC(=O)C(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC000969785204 643219705 /nfs/dbraw/zinc/21/97/05/643219705.db2.gz GOOSCSCHKWFVDW-DTWKUNHWSA-N 1 0 241.291 -1.301 20 0 BAADRO NC(=O)C(=O)N1CC[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC000969785209 643220076 /nfs/dbraw/zinc/22/00/76/643220076.db2.gz GOOSCSCHKWFVDW-RKDXNWHRSA-N 1 0 241.291 -1.301 20 0 BAADRO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)C(N)=O)C1)C(N)=O ZINC000969785799 643220996 /nfs/dbraw/zinc/22/09/96/643220996.db2.gz QDERZXCBVGVTKT-RNFRBKRXSA-N 1 0 242.279 -2.074 20 0 BAADRO CC[C@H]([NH2+][C@@H]1CCN(C(=O)C(N)=O)C1)C(N)=O ZINC000969785802 643220877 /nfs/dbraw/zinc/22/08/77/643220877.db2.gz QDERZXCBVGVTKT-RQJHMYQMSA-N 1 0 242.279 -2.074 20 0 BAADRO NC(=O)C1(C(=O)N2CC[C@@H]([NH2+]CCO)C2)CC1 ZINC000969785913 643220258 /nfs/dbraw/zinc/22/02/58/643220258.db2.gz BVZGTQQMTISQCC-MRVPVSSYSA-N 1 0 241.291 -1.565 20 0 BAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969977500 643261069 /nfs/dbraw/zinc/26/10/69/643261069.db2.gz MQSUAPIJMWTERC-HLTSFMKQSA-N 1 0 241.291 -1.709 20 0 BAADRO C[C@@H](NC(=O)c1cn[nH]n1)C1C[NH+](CCO)C1 ZINC000970036484 643270504 /nfs/dbraw/zinc/27/05/04/643270504.db2.gz ZWBVKUVZYDCIJS-SSDOTTSWSA-N 1 0 239.279 -1.153 20 0 BAADRO C[C@H](NC(=O)c1cn[nH]n1)C1C[NH+](CCO)C1 ZINC000970036485 643271510 /nfs/dbraw/zinc/27/15/10/643271510.db2.gz ZWBVKUVZYDCIJS-ZETCQYMHSA-N 1 0 239.279 -1.153 20 0 BAADRO Cn1ncc(C(=O)N2CC[C@@H]([NH2+]CCO)C2)n1 ZINC000970257475 643404695 /nfs/dbraw/zinc/40/46/95/643404695.db2.gz LIMYZIHAXMVBKJ-MRVPVSSYSA-N 1 0 239.279 -1.389 20 0 BAADRO NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccncn2)C1 ZINC000970294930 643409423 /nfs/dbraw/zinc/40/94/23/643409423.db2.gz GTTUZCANBQDUEP-MRVPVSSYSA-N 1 0 249.274 -1.234 20 0 BAADRO NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC000970295382 643409324 /nfs/dbraw/zinc/40/93/24/643409324.db2.gz MXLNDAIGVPZGFE-ZCFIWIBFSA-N 1 0 238.251 -1.906 20 0 BAADRO C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC000970296711 643410478 /nfs/dbraw/zinc/41/04/78/643410478.db2.gz GMEQFFJYDJMXSD-HTQZYQBOSA-N 1 0 239.279 -1.010 20 0 BAADRO C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC000970296712 643410132 /nfs/dbraw/zinc/41/01/32/643410132.db2.gz GMEQFFJYDJMXSD-JGVFFNPUSA-N 1 0 239.279 -1.010 20 0 BAADRO O=C(c1nc[nH]n1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000970297727 643409879 /nfs/dbraw/zinc/40/98/79/643409879.db2.gz USEBRBRIQPBLFP-SSDOTTSWSA-N 1 0 225.252 -1.399 20 0 BAADRO NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnon2)C1 ZINC000970303318 643411156 /nfs/dbraw/zinc/41/11/56/643411156.db2.gz GMDAZJSUBRIIAJ-ZCFIWIBFSA-N 1 0 239.235 -1.641 20 0 BAADRO O=C(c1cnon1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000970308309 643413114 /nfs/dbraw/zinc/41/31/14/643413114.db2.gz PWQDPTFFRARPBW-SSDOTTSWSA-N 1 0 226.236 -1.134 20 0 BAADRO NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ncccn2)C1 ZINC000970313734 643411678 /nfs/dbraw/zinc/41/16/78/643411678.db2.gz LTTFKELUFYMEQA-MRVPVSSYSA-N 1 0 249.274 -1.234 20 0 BAADRO NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cccnn2)C1 ZINC000970317577 643413035 /nfs/dbraw/zinc/41/30/35/643413035.db2.gz CNMWGIAYZKDCMH-MRVPVSSYSA-N 1 0 249.274 -1.234 20 0 BAADRO O=C(Cc1nnc[nH]1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000970448110 643429870 /nfs/dbraw/zinc/42/98/70/643429870.db2.gz QZLQHWAKVGKSSV-MRVPVSSYSA-N 1 0 239.279 -1.470 20 0 BAADRO O=C([C@@H]1CCC(=O)N1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000970523839 643456676 /nfs/dbraw/zinc/45/66/76/643456676.db2.gz FJGOOAXSFFVNKM-BDAKNGLRSA-N 1 0 241.291 -1.552 20 0 BAADRO C[C@@H](NC(=O)c1nnc[nH]1)C1C[NH+](CCO)C1 ZINC000970616039 643485053 /nfs/dbraw/zinc/48/50/53/643485053.db2.gz JAUFZRMKMMPPMV-SSDOTTSWSA-N 1 0 239.279 -1.153 20 0 BAADRO C[C@H](NC(=O)c1nnc[nH]1)C1C[NH+](CCO)C1 ZINC000970616047 643484738 /nfs/dbraw/zinc/48/47/38/643484738.db2.gz JAUFZRMKMMPPMV-ZETCQYMHSA-N 1 0 239.279 -1.153 20 0 BAADRO C[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971239119 642329350 /nfs/dbraw/zinc/32/93/50/642329350.db2.gz LVYFUWKBQAJHHA-BDAKNGLRSA-N 1 0 243.307 -1.225 20 0 BAADRO C[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971239121 642329382 /nfs/dbraw/zinc/32/93/82/642329382.db2.gz LVYFUWKBQAJHHA-DTWKUNHWSA-N 1 0 243.307 -1.225 20 0 BAADRO C[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971239122 642328742 /nfs/dbraw/zinc/32/87/42/642328742.db2.gz LVYFUWKBQAJHHA-IUCAKERBSA-N 1 0 243.307 -1.225 20 0 BAADRO C[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971239124 642329963 /nfs/dbraw/zinc/32/99/63/642329963.db2.gz LVYFUWKBQAJHHA-RKDXNWHRSA-N 1 0 243.307 -1.225 20 0 BAADRO C[N@H+](CCO)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971240803 642329444 /nfs/dbraw/zinc/32/94/44/642329444.db2.gz CJPKRUZCZGDSHX-MRVPVSSYSA-N 1 0 229.280 -1.613 20 0 BAADRO C[N@H+](CCO)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971240804 642330076 /nfs/dbraw/zinc/33/00/76/642330076.db2.gz CJPKRUZCZGDSHX-QMMMGPOBSA-N 1 0 229.280 -1.613 20 0 BAADRO C[N@H+](CCO)[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC000971850534 631543242 /nfs/dbraw/zinc/54/32/42/631543242.db2.gz KFAIODDSYOPUFE-MRVPVSSYSA-N 1 0 239.279 -1.057 20 0 BAADRO C[N@H+](CCO)[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC000971850535 631542930 /nfs/dbraw/zinc/54/29/30/631542930.db2.gz KFAIODDSYOPUFE-QMMMGPOBSA-N 1 0 239.279 -1.057 20 0 BAADRO C[N@H+](CCO)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000972215213 631877502 /nfs/dbraw/zinc/87/75/02/631877502.db2.gz GMSOXMNGEBEXQD-SSDOTTSWSA-N 1 0 215.253 -2.003 20 0 BAADRO C[N@H+](CCO)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000972215216 631878631 /nfs/dbraw/zinc/87/86/31/631878631.db2.gz GMSOXMNGEBEXQD-ZETCQYMHSA-N 1 0 215.253 -2.003 20 0 BAADRO C[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000972217453 631877758 /nfs/dbraw/zinc/87/77/58/631877758.db2.gz UQOWPKPHFODJNF-HTQZYQBOSA-N 1 0 229.280 -1.615 20 0 BAADRO C[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000972217455 631878614 /nfs/dbraw/zinc/87/86/14/631878614.db2.gz UQOWPKPHFODJNF-JGVFFNPUSA-N 1 0 229.280 -1.615 20 0 BAADRO C[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000972217457 631877491 /nfs/dbraw/zinc/87/74/91/631877491.db2.gz UQOWPKPHFODJNF-SFYZADRCSA-N 1 0 229.280 -1.615 20 0 BAADRO C[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000972217458 631878640 /nfs/dbraw/zinc/87/86/40/631878640.db2.gz UQOWPKPHFODJNF-YUMQZZPRSA-N 1 0 229.280 -1.615 20 0 BAADRO CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC000972527236 632413220 /nfs/dbraw/zinc/41/32/20/632413220.db2.gz RVKGBRICIUXRRS-LLVKDONJSA-N 1 0 241.291 -1.205 20 0 BAADRO CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC000972527237 632413919 /nfs/dbraw/zinc/41/39/19/632413919.db2.gz RVKGBRICIUXRRS-NSHDSACASA-N 1 0 241.291 -1.205 20 0 BAADRO C[N@H+](CCO)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC000972572839 632471891 /nfs/dbraw/zinc/47/18/91/632471891.db2.gz AOYVUADCKOPUDG-MRVPVSSYSA-N 1 0 239.279 -1.057 20 0 BAADRO C[N@H+](CCO)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC000972572840 632471706 /nfs/dbraw/zinc/47/17/06/632471706.db2.gz AOYVUADCKOPUDG-QMMMGPOBSA-N 1 0 239.279 -1.057 20 0 BAADRO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000974990541 634422557 /nfs/dbraw/zinc/42/25/57/634422557.db2.gz BNIQMYFFSVZNTR-HTQZYQBOSA-N 1 0 243.307 -1.321 20 0 BAADRO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000974990545 634421789 /nfs/dbraw/zinc/42/17/89/634421789.db2.gz BNIQMYFFSVZNTR-JGVFFNPUSA-N 1 0 243.307 -1.321 20 0 BAADRO C[C@@H](O)C[N@@H+]1C[C@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000974990548 634421964 /nfs/dbraw/zinc/42/19/64/634421964.db2.gz BNIQMYFFSVZNTR-SFYZADRCSA-N 1 0 243.307 -1.321 20 0 BAADRO C[C@H](O)C[N@@H+]1C[C@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000974990550 634422848 /nfs/dbraw/zinc/42/28/48/634422848.db2.gz BNIQMYFFSVZNTR-YUMQZZPRSA-N 1 0 243.307 -1.321 20 0 BAADRO COCC[N@@H+]1C[C@@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000974999918 634423499 /nfs/dbraw/zinc/42/34/99/634423499.db2.gz WBKKUJZYSCGJFO-MRVPVSSYSA-N 1 0 243.307 -1.055 20 0 BAADRO COCC[N@@H+]1C[C@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000974999920 634423422 /nfs/dbraw/zinc/42/34/22/634423422.db2.gz WBKKUJZYSCGJFO-QMMMGPOBSA-N 1 0 243.307 -1.055 20 0 BAADRO CC1(C)C[N@H+](CCCO)C[C@H]1NC(=O)C(N)=O ZINC000975002586 634423511 /nfs/dbraw/zinc/42/35/11/634423511.db2.gz DRJMRAYHHGDJLO-MRVPVSSYSA-N 1 0 243.307 -1.319 20 0 BAADRO CC1(C)C[N@H+](CCCO)C[C@@H]1NC(=O)C(N)=O ZINC000975002592 634423689 /nfs/dbraw/zinc/42/36/89/634423689.db2.gz DRJMRAYHHGDJLO-QMMMGPOBSA-N 1 0 243.307 -1.319 20 0 BAADRO CC1(C)C[N@H+](CCO)C[C@H]1NC(=O)C(N)=O ZINC000975008819 634426594 /nfs/dbraw/zinc/42/65/94/634426594.db2.gz QRBFHXZZXOFHGB-SSDOTTSWSA-N 1 0 229.280 -1.709 20 0 BAADRO CC1(C)C[N@H+](CCO)C[C@@H]1NC(=O)C(N)=O ZINC000975008826 634426847 /nfs/dbraw/zinc/42/68/47/634426847.db2.gz QRBFHXZZXOFHGB-ZETCQYMHSA-N 1 0 229.280 -1.709 20 0 BAADRO CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000977683319 634558296 /nfs/dbraw/zinc/55/82/96/634558296.db2.gz VZXDNFQDKJZIJS-PSVAKVPMSA-N 1 0 211.265 -1.214 20 0 BAADRO CC[NH2+][C@H](C)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979353408 635149020 /nfs/dbraw/zinc/14/90/20/635149020.db2.gz DCNRCUKRIOQPHR-HTQZYQBOSA-N 1 0 229.280 -1.303 20 0 BAADRO CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979353414 635149233 /nfs/dbraw/zinc/14/92/33/635149233.db2.gz DCNRCUKRIOQPHR-JGVFFNPUSA-N 1 0 229.280 -1.303 20 0 BAADRO CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979353415 635148834 /nfs/dbraw/zinc/14/88/34/635148834.db2.gz DCNRCUKRIOQPHR-SFYZADRCSA-N 1 0 229.280 -1.303 20 0 BAADRO CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979353417 635149920 /nfs/dbraw/zinc/14/99/20/635149920.db2.gz DCNRCUKRIOQPHR-YUMQZZPRSA-N 1 0 229.280 -1.303 20 0 BAADRO NC(=O)CC(=O)N1CCC[N@H+](CCO)CC1 ZINC000980867003 635291694 /nfs/dbraw/zinc/29/16/94/635291694.db2.gz OJIIHMJQCWAOCW-UHFFFAOYSA-N 1 0 229.280 -1.612 20 0 BAADRO NC(=O)CC(=O)N1CCC[N@H+](CCCO)CC1 ZINC000980867026 635292150 /nfs/dbraw/zinc/29/21/50/635292150.db2.gz PVHJYKQQFZIQBU-UHFFFAOYSA-N 1 0 243.307 -1.222 20 0 BAADRO C[C@@H](O)C[N@@H+]1CCCN(C(=O)CC(N)=O)CC1 ZINC000980873397 635292767 /nfs/dbraw/zinc/29/27/67/635292767.db2.gz UQYJFVFXMMXKIO-SECBINFHSA-N 1 0 243.307 -1.223 20 0 BAADRO C[C@H](O)C[N@@H+]1CCCN(C(=O)CC(N)=O)CC1 ZINC000980873398 635293221 /nfs/dbraw/zinc/29/32/21/635293221.db2.gz UQYJFVFXMMXKIO-VIFPVBQESA-N 1 0 243.307 -1.223 20 0 BAADRO NC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC000981302086 635354914 /nfs/dbraw/zinc/35/49/14/635354914.db2.gz ACXMITVQGOWHKL-BQBZGAKWSA-N 1 0 242.279 -2.026 20 0 BAADRO NC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC000981302094 635353056 /nfs/dbraw/zinc/35/30/56/635353056.db2.gz ACXMITVQGOWHKL-NKWVEPMBSA-N 1 0 242.279 -2.026 20 0 BAADRO NC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC000981302095 635355042 /nfs/dbraw/zinc/35/50/42/635355042.db2.gz ACXMITVQGOWHKL-RNFRBKRXSA-N 1 0 242.279 -2.026 20 0 BAADRO NC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC000981302097 635352165 /nfs/dbraw/zinc/35/21/65/635352165.db2.gz ACXMITVQGOWHKL-RQJHMYQMSA-N 1 0 242.279 -2.026 20 0 BAADRO NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH2+]CCO)C1 ZINC000981311913 635356476 /nfs/dbraw/zinc/35/64/76/635356476.db2.gz PLWZVTJHKKQLOZ-HTQZYQBOSA-N 1 0 229.280 -1.519 20 0 BAADRO NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH2+]CCO)C1 ZINC000981311918 635355894 /nfs/dbraw/zinc/35/58/94/635355894.db2.gz PLWZVTJHKKQLOZ-JGVFFNPUSA-N 1 0 229.280 -1.519 20 0 BAADRO NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH2+]CCO)C1 ZINC000981311919 635356459 /nfs/dbraw/zinc/35/64/59/635356459.db2.gz PLWZVTJHKKQLOZ-SFYZADRCSA-N 1 0 229.280 -1.519 20 0 BAADRO NC(=O)C(=O)N[C@H]1CCC[C@H]([NH2+]CCO)C1 ZINC000981311921 635356455 /nfs/dbraw/zinc/35/64/55/635356455.db2.gz PLWZVTJHKKQLOZ-YUMQZZPRSA-N 1 0 229.280 -1.519 20 0 BAADRO C[C@@H](O)C[N@@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC000981861808 635411932 /nfs/dbraw/zinc/41/19/32/635411932.db2.gz IELXNVAQLDYLNV-MRVPVSSYSA-N 1 0 229.280 -1.613 20 0 BAADRO C[C@H](O)C[N@@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC000981861809 635414028 /nfs/dbraw/zinc/41/40/28/635414028.db2.gz IELXNVAQLDYLNV-QMMMGPOBSA-N 1 0 229.280 -1.613 20 0 BAADRO NC(=O)C(=O)N1CCC[N@H+](CCCO)CC1 ZINC000981862088 635410987 /nfs/dbraw/zinc/41/09/87/635410987.db2.gz UCUQUMWYUKRJQW-UHFFFAOYSA-N 1 0 229.280 -1.612 20 0 BAADRO C[N@H+](CCO)C1CCN(C(=O)CC(N)=O)CC1 ZINC000985341777 636281930 /nfs/dbraw/zinc/28/19/30/636281930.db2.gz HBGIZUSVRQAREX-UHFFFAOYSA-N 1 0 243.307 -1.223 20 0 BAADRO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)C(N)=O)CC1 ZINC000985611972 636364830 /nfs/dbraw/zinc/36/48/30/636364830.db2.gz CEFLYTPVRUGSAN-MRVPVSSYSA-N 1 0 243.307 -1.225 20 0 BAADRO C[C@H](O)C[N@H+](C)C1CCN(C(=O)C(N)=O)CC1 ZINC000985611977 636365003 /nfs/dbraw/zinc/36/50/03/636365003.db2.gz CEFLYTPVRUGSAN-QMMMGPOBSA-N 1 0 243.307 -1.225 20 0 BAADRO C[N@H+](CC(N)=O)C1CCN(C(=O)C(N)=O)CC1 ZINC000985612691 636364976 /nfs/dbraw/zinc/36/49/76/636364976.db2.gz JHGSWVBTGUKYFH-UHFFFAOYSA-N 1 0 242.279 -2.120 20 0 BAADRO COCC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@H]1C ZINC000985871532 636440016 /nfs/dbraw/zinc/44/00/16/636440016.db2.gz ONEXGSQQNDODPY-HTQZYQBOSA-N 1 0 229.280 -1.303 20 0 BAADRO COCC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@@H]1C ZINC000985871535 636440000 /nfs/dbraw/zinc/44/00/00/636440000.db2.gz ONEXGSQQNDODPY-JGVFFNPUSA-N 1 0 229.280 -1.303 20 0 BAADRO COCC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@H]1C ZINC000985871536 636440056 /nfs/dbraw/zinc/44/00/56/636440056.db2.gz ONEXGSQQNDODPY-SFYZADRCSA-N 1 0 229.280 -1.303 20 0 BAADRO COCC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC000985871538 636440023 /nfs/dbraw/zinc/44/00/23/636440023.db2.gz ONEXGSQQNDODPY-YUMQZZPRSA-N 1 0 229.280 -1.303 20 0 BAADRO C[C@@H]1[C@H]([NH2+]CCO)CCN1C(=O)CC(N)=O ZINC000986088000 636497280 /nfs/dbraw/zinc/49/72/80/636497280.db2.gz BGQXCBQDQJUPBS-HTQZYQBOSA-N 1 0 229.280 -1.567 20 0 BAADRO C[C@H]1[C@H]([NH2+]CCO)CCN1C(=O)CC(N)=O ZINC000986088003 636497043 /nfs/dbraw/zinc/49/70/43/636497043.db2.gz BGQXCBQDQJUPBS-JGVFFNPUSA-N 1 0 229.280 -1.567 20 0 BAADRO C[C@@H]1[C@@H]([NH2+]CCO)CCN1C(=O)CC(N)=O ZINC000986088006 636498020 /nfs/dbraw/zinc/49/80/20/636498020.db2.gz BGQXCBQDQJUPBS-SFYZADRCSA-N 1 0 229.280 -1.567 20 0 BAADRO C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)CC(N)=O ZINC000986088020 636498186 /nfs/dbraw/zinc/49/81/86/636498186.db2.gz BGQXCBQDQJUPBS-YUMQZZPRSA-N 1 0 229.280 -1.567 20 0 BAADRO C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CC(N)=O ZINC000986116839 636514408 /nfs/dbraw/zinc/51/44/08/636514408.db2.gz XLCYSDACZMAZTK-BQBZGAKWSA-N 1 0 242.279 -2.074 20 0 BAADRO C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CC(N)=O ZINC000986116849 636514492 /nfs/dbraw/zinc/51/44/92/636514492.db2.gz XLCYSDACZMAZTK-NKWVEPMBSA-N 1 0 242.279 -2.074 20 0 BAADRO C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CC(N)=O ZINC000986116852 636514122 /nfs/dbraw/zinc/51/41/22/636514122.db2.gz XLCYSDACZMAZTK-RNFRBKRXSA-N 1 0 242.279 -2.074 20 0 BAADRO C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CC(N)=O ZINC000986116856 636513890 /nfs/dbraw/zinc/51/38/90/636513890.db2.gz XLCYSDACZMAZTK-RQJHMYQMSA-N 1 0 242.279 -2.074 20 0 BAADRO C[C@@H]1[C@H]([NH2+]CCO)CCN1C(=O)c1cn[nH]n1 ZINC000986459859 636556277 /nfs/dbraw/zinc/55/62/77/636556277.db2.gz HCGBHWOUGPLBTI-HTQZYQBOSA-N 1 0 239.279 -1.010 20 0 BAADRO C[C@H]1[C@H]([NH2+]CCO)CCN1C(=O)c1cn[nH]n1 ZINC000986459862 636556586 /nfs/dbraw/zinc/55/65/86/636556586.db2.gz HCGBHWOUGPLBTI-JGVFFNPUSA-N 1 0 239.279 -1.010 20 0 BAADRO C[C@@H]1[C@@H]([NH2+]CCO)CCN1C(=O)c1cn[nH]n1 ZINC000986459864 636557084 /nfs/dbraw/zinc/55/70/84/636557084.db2.gz HCGBHWOUGPLBTI-SFYZADRCSA-N 1 0 239.279 -1.010 20 0 BAADRO C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)c1cn[nH]n1 ZINC000986459865 636556665 /nfs/dbraw/zinc/55/66/65/636556665.db2.gz HCGBHWOUGPLBTI-YUMQZZPRSA-N 1 0 239.279 -1.010 20 0 BAADRO COCC(=O)N1C[C@H]([NH2+]CC(N)=O)C[C@H]1C ZINC000987663784 636658031 /nfs/dbraw/zinc/65/80/31/636658031.db2.gz DXGPHUIYGVEVRA-HTQZYQBOSA-N 1 0 229.280 -1.303 20 0 BAADRO COCC(=O)N1C[C@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC000987663785 636659203 /nfs/dbraw/zinc/65/92/03/636659203.db2.gz DXGPHUIYGVEVRA-JGVFFNPUSA-N 1 0 229.280 -1.303 20 0 BAADRO COCC(=O)N1C[C@@H]([NH2+]CC(N)=O)C[C@H]1C ZINC000987663788 636658786 /nfs/dbraw/zinc/65/87/86/636658786.db2.gz DXGPHUIYGVEVRA-SFYZADRCSA-N 1 0 229.280 -1.303 20 0 BAADRO COCC(=O)N1C[C@@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC000987663814 636658900 /nfs/dbraw/zinc/65/89/00/636658900.db2.gz DXGPHUIYGVEVRA-YUMQZZPRSA-N 1 0 229.280 -1.303 20 0 BAADRO C[C@@H]1C[C@H]([NH2+]CCO)CN1C(=O)CC(N)=O ZINC000988420816 636707511 /nfs/dbraw/zinc/70/75/11/636707511.db2.gz MLJVYNWUKGDVEJ-SFYZADRCSA-N 1 0 229.280 -1.567 20 0 BAADRO C[C@H]1C[C@H]([NH2+]CCO)CN1C(=O)CC(N)=O ZINC000988420819 636707178 /nfs/dbraw/zinc/70/71/78/636707178.db2.gz MLJVYNWUKGDVEJ-YUMQZZPRSA-N 1 0 229.280 -1.567 20 0 BAADRO C[C@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)CC(N)=O ZINC000988438620 636711921 /nfs/dbraw/zinc/71/19/21/636711921.db2.gz ZDWLPSMLQZASMX-BQBZGAKWSA-N 1 0 242.279 -2.074 20 0 BAADRO C[C@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)CC(N)=O ZINC000988438625 636711155 /nfs/dbraw/zinc/71/11/55/636711155.db2.gz ZDWLPSMLQZASMX-NKWVEPMBSA-N 1 0 242.279 -2.074 20 0 BAADRO C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)CC(N)=O ZINC000988438629 636712375 /nfs/dbraw/zinc/71/23/75/636712375.db2.gz ZDWLPSMLQZASMX-RNFRBKRXSA-N 1 0 242.279 -2.074 20 0 BAADRO C[C@@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)CC(N)=O ZINC000988438633 636711696 /nfs/dbraw/zinc/71/16/96/636711696.db2.gz ZDWLPSMLQZASMX-RQJHMYQMSA-N 1 0 242.279 -2.074 20 0 BAADRO C[C@@H]1C[C@@H]([NH2+]CCO)CN1C(=O)c1cn[nH]n1 ZINC000989087263 636797312 /nfs/dbraw/zinc/79/73/12/636797312.db2.gz KFTKZFVYWBHLEO-HTQZYQBOSA-N 1 0 239.279 -1.010 20 0 BAADRO C[C@H]1C[C@@H]([NH2+]CCO)CN1C(=O)c1cn[nH]n1 ZINC000989087268 636798136 /nfs/dbraw/zinc/79/81/36/636798136.db2.gz KFTKZFVYWBHLEO-JGVFFNPUSA-N 1 0 239.279 -1.010 20 0 BAADRO C[C@@H]1C[C@H]([NH2+]CCO)CN1C(=O)c1cn[nH]n1 ZINC000989087270 636797469 /nfs/dbraw/zinc/79/74/69/636797469.db2.gz KFTKZFVYWBHLEO-SFYZADRCSA-N 1 0 239.279 -1.010 20 0 BAADRO C[C@H]1C[C@H]([NH2+]CCO)CN1C(=O)c1cn[nH]n1 ZINC000989087271 636798074 /nfs/dbraw/zinc/79/80/74/636798074.db2.gz KFTKZFVYWBHLEO-YUMQZZPRSA-N 1 0 239.279 -1.010 20 0 BAADRO C[C@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)C(N)=O ZINC000989378618 636819868 /nfs/dbraw/zinc/81/98/68/636819868.db2.gz CCTXAYMFIIHCHM-NTSWFWBYSA-N 1 0 228.252 -2.464 20 0 BAADRO C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)C(N)=O ZINC000989378619 636820372 /nfs/dbraw/zinc/82/03/72/636820372.db2.gz CCTXAYMFIIHCHM-PHDIDXHHSA-N 1 0 228.252 -2.464 20 0 BAADRO C[C@@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)C(N)=O ZINC000989378620 636819813 /nfs/dbraw/zinc/81/98/13/636819813.db2.gz CCTXAYMFIIHCHM-RITPCOANSA-N 1 0 228.252 -2.464 20 0 BAADRO C[C@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)C(N)=O ZINC000989378621 636820334 /nfs/dbraw/zinc/82/03/34/636820334.db2.gz CCTXAYMFIIHCHM-WDSKDSINSA-N 1 0 228.252 -2.464 20 0 BAADRO C[C@@H]1C[C@@H]([NH2+]CCO)CN1C(=O)c1nc[nH]n1 ZINC000989574111 636863392 /nfs/dbraw/zinc/86/33/92/636863392.db2.gz YBIXSHKDJBVAEJ-HTQZYQBOSA-N 1 0 239.279 -1.010 20 0 BAADRO C[C@H]1C[C@@H]([NH2+]CCO)CN1C(=O)c1nc[nH]n1 ZINC000989574112 636863824 /nfs/dbraw/zinc/86/38/24/636863824.db2.gz YBIXSHKDJBVAEJ-JGVFFNPUSA-N 1 0 239.279 -1.010 20 0 BAADRO C[C@@H]1C[C@H]([NH2+]CCO)CN1C(=O)c1nc[nH]n1 ZINC000989574113 636862967 /nfs/dbraw/zinc/86/29/67/636862967.db2.gz YBIXSHKDJBVAEJ-SFYZADRCSA-N 1 0 239.279 -1.010 20 0 BAADRO C[C@H]1C[C@H]([NH2+]CCO)CN1C(=O)c1nc[nH]n1 ZINC000989574114 636863136 /nfs/dbraw/zinc/86/31/36/636863136.db2.gz YBIXSHKDJBVAEJ-YUMQZZPRSA-N 1 0 239.279 -1.010 20 0 BAADRO COCC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000989830520 636883715 /nfs/dbraw/zinc/88/37/15/636883715.db2.gz GBZMKWYYDCILSP-UHFFFAOYSA-N 1 0 229.280 -1.301 20 0 BAADRO NC(=O)C[NH2+]C1CCN(C(=O)CC(N)=O)CC1 ZINC000990422163 636944275 /nfs/dbraw/zinc/94/42/75/636944275.db2.gz CFVUCYPKOVYKGZ-UHFFFAOYSA-N 1 0 242.279 -2.072 20 0 BAADRO C[C@@H](O)C[NH2+]C1CCN(C(=O)CC(N)=O)CC1 ZINC000990422192 636943087 /nfs/dbraw/zinc/94/30/87/636943087.db2.gz CKFQQMFVBGTJDF-MRVPVSSYSA-N 1 0 243.307 -1.177 20 0 BAADRO C[C@H](O)C[NH2+]C1CCN(C(=O)CC(N)=O)CC1 ZINC000990422193 636943942 /nfs/dbraw/zinc/94/39/42/636943942.db2.gz CKFQQMFVBGTJDF-QMMMGPOBSA-N 1 0 243.307 -1.177 20 0 BAADRO NC(=O)CC(=O)N1CCC([NH2+]CCO)CC1 ZINC000990434618 636946982 /nfs/dbraw/zinc/94/69/82/636946982.db2.gz GPWLCUJSJPKODG-UHFFFAOYSA-N 1 0 229.280 -1.565 20 0 BAADRO NC(=O)C(=O)N[C@@]12CCC[C@@H]1[N@H+](CCO)CC2 ZINC000992143211 641353925 /nfs/dbraw/zinc/35/39/25/641353925.db2.gz MCQSSRQNXHWYFS-GZMMTYOYSA-N 1 0 241.291 -1.423 20 0 BAADRO NC(=O)C(=O)N[C@]12CCC[C@H]1[N@H+](CCO)CC2 ZINC000992143213 641353116 /nfs/dbraw/zinc/35/31/16/641353116.db2.gz MCQSSRQNXHWYFS-KCJUWKMLSA-N 1 0 241.291 -1.423 20 0 BAADRO NC(=O)C(=O)N[C@]12CCC[C@@H]1[N@H+](CCO)CC2 ZINC000992143217 641353034 /nfs/dbraw/zinc/35/30/34/641353034.db2.gz MCQSSRQNXHWYFS-KWQFWETISA-N 1 0 241.291 -1.423 20 0 BAADRO NC(=O)C(=O)N[C@@]12CCC[C@H]1[N@H+](CCO)CC2 ZINC000992143219 641353155 /nfs/dbraw/zinc/35/31/55/641353155.db2.gz MCQSSRQNXHWYFS-LDYMZIIASA-N 1 0 241.291 -1.423 20 0 BAADRO C[C@@H]1[C@H](NC(=O)C(N)=O)CCC[N@@H+]1CCO ZINC000993724628 641878155 /nfs/dbraw/zinc/87/81/55/641878155.db2.gz AXFNQIGPDKICPQ-HTQZYQBOSA-N 1 0 229.280 -1.567 20 0 BAADRO C[C@H]1[C@H](NC(=O)C(N)=O)CCC[N@@H+]1CCO ZINC000993724634 641879100 /nfs/dbraw/zinc/87/91/00/641879100.db2.gz AXFNQIGPDKICPQ-JGVFFNPUSA-N 1 0 229.280 -1.567 20 0 BAADRO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCC[N@@H+]1CCO ZINC000993724635 641878291 /nfs/dbraw/zinc/87/82/91/641878291.db2.gz AXFNQIGPDKICPQ-SFYZADRCSA-N 1 0 229.280 -1.567 20 0 BAADRO C[C@H]1[C@@H](NC(=O)C(N)=O)CCC[N@@H+]1CCO ZINC000993724636 641877782 /nfs/dbraw/zinc/87/77/82/641877782.db2.gz AXFNQIGPDKICPQ-YUMQZZPRSA-N 1 0 229.280 -1.567 20 0 BAADRO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCC[N@@H+]1CCCO ZINC000993734977 641879133 /nfs/dbraw/zinc/87/91/33/641879133.db2.gz UPGHCXKNHGJZKU-BDAKNGLRSA-N 1 0 243.307 -1.177 20 0 BAADRO C[C@H]1[C@H](NC(=O)C(N)=O)CCC[N@@H+]1CCCO ZINC000993734979 641878570 /nfs/dbraw/zinc/87/85/70/641878570.db2.gz UPGHCXKNHGJZKU-DTWKUNHWSA-N 1 0 243.307 -1.177 20 0 BAADRO C[C@H]1[C@@H](NC(=O)C(N)=O)CCC[N@@H+]1CCCO ZINC000993734981 641878427 /nfs/dbraw/zinc/87/84/27/641878427.db2.gz UPGHCXKNHGJZKU-IUCAKERBSA-N 1 0 243.307 -1.177 20 0 BAADRO C[C@@H]1[C@H](NC(=O)C(N)=O)CCC[N@@H+]1CCCO ZINC000993734983 641878798 /nfs/dbraw/zinc/87/87/98/641878798.db2.gz UPGHCXKNHGJZKU-RKDXNWHRSA-N 1 0 243.307 -1.177 20 0 BAADRO CC1(C)CN(C(=O)CC(N)=O)C[C@H]1[NH2+]CCO ZINC000995557464 643331187 /nfs/dbraw/zinc/33/11/87/643331187.db2.gz BDCWCRYZBVGIKL-MRVPVSSYSA-N 1 0 243.307 -1.319 20 0 BAADRO CC1(C)CN(C(=O)CC(N)=O)C[C@@H]1[NH2+]CCO ZINC000995557470 643330965 /nfs/dbraw/zinc/33/09/65/643330965.db2.gz BDCWCRYZBVGIKL-QMMMGPOBSA-N 1 0 243.307 -1.319 20 0 BAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C(N)=O)CC1(C)C ZINC000996228223 643465236 /nfs/dbraw/zinc/46/52/36/643465236.db2.gz KSNPRMAQZBRUFH-HTQZYQBOSA-N 1 0 243.307 -1.321 20 0 BAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C(N)=O)CC1(C)C ZINC000996228236 643464282 /nfs/dbraw/zinc/46/42/82/643464282.db2.gz KSNPRMAQZBRUFH-JGVFFNPUSA-N 1 0 243.307 -1.321 20 0 BAADRO C[C@@H](O)C[NH2+][C@H]1CN(C(=O)C(N)=O)CC1(C)C ZINC000996228239 643464718 /nfs/dbraw/zinc/46/47/18/643464718.db2.gz KSNPRMAQZBRUFH-SFYZADRCSA-N 1 0 243.307 -1.321 20 0 BAADRO C[C@H](O)C[NH2+][C@H]1CN(C(=O)C(N)=O)CC1(C)C ZINC000996228242 643463935 /nfs/dbraw/zinc/46/39/35/643463935.db2.gz KSNPRMAQZBRUFH-YUMQZZPRSA-N 1 0 243.307 -1.321 20 0 BAADRO CC1(C)CN(C(=O)C(N)=O)C[C@@H]1[NH2+]CC(N)=O ZINC000996231707 643464123 /nfs/dbraw/zinc/46/41/23/643464123.db2.gz UYPQIANVESLVGS-LURJTMIESA-N 1 0 242.279 -2.216 20 0 BAADRO CC1(C)CN(C(=O)C(N)=O)C[C@H]1[NH2+]CC(N)=O ZINC000996231710 643463962 /nfs/dbraw/zinc/46/39/62/643463962.db2.gz UYPQIANVESLVGS-ZCFIWIBFSA-N 1 0 242.279 -2.216 20 0 BAADRO CC1(C)CN(C(=O)C(N)=O)C[C@H]1[NH2+]CCO ZINC000996237259 643463911 /nfs/dbraw/zinc/46/39/11/643463911.db2.gz IEMBDHXHXBPOFZ-SSDOTTSWSA-N 1 0 229.280 -1.709 20 0 BAADRO CC1(C)CN(C(=O)C(N)=O)C[C@@H]1[NH2+]CCO ZINC000996237262 643464316 /nfs/dbraw/zinc/46/43/16/643464316.db2.gz IEMBDHXHXBPOFZ-ZETCQYMHSA-N 1 0 229.280 -1.709 20 0 BAADRO NC(=O)C(=O)N1CCC([NH2+]CCO)CC1 ZINC000996937279 643557299 /nfs/dbraw/zinc/55/72/99/643557299.db2.gz HPDWLMFPPZTSLL-UHFFFAOYSA-N 1 0 215.253 -1.955 20 0 BAADRO C[C@H]([NH2+]C1CCN(C(=O)C(N)=O)CC1)C(N)=O ZINC000996943484 643560389 /nfs/dbraw/zinc/56/03/89/643560389.db2.gz WSQMEQOQZKVKJX-LURJTMIESA-N 1 0 242.279 -2.074 20 0 BAADRO C[C@@H]([NH2+]C1CCN(C(=O)C(N)=O)CC1)C(N)=O ZINC000996943487 643561081 /nfs/dbraw/zinc/56/10/81/643561081.db2.gz WSQMEQOQZKVKJX-ZCFIWIBFSA-N 1 0 242.279 -2.074 20 0 BAADRO C[C@@H](O)C[NH2+]C1CCN(C(=O)C(N)=O)CC1 ZINC000996944333 643560206 /nfs/dbraw/zinc/56/02/06/643560206.db2.gz CRQBIHIMDWSHJK-SSDOTTSWSA-N 1 0 229.280 -1.567 20 0 BAADRO C[C@H](O)C[NH2+]C1CCN(C(=O)C(N)=O)CC1 ZINC000996944339 643560193 /nfs/dbraw/zinc/56/01/93/643560193.db2.gz CRQBIHIMDWSHJK-ZETCQYMHSA-N 1 0 229.280 -1.567 20 0 BAADRO NC(=O)C[NH2+]C1CCN(C(=O)C(N)=O)CC1 ZINC000996951090 643559188 /nfs/dbraw/zinc/55/91/88/643559188.db2.gz DRXFWOYTHXPPHS-UHFFFAOYSA-N 1 0 228.252 -2.462 20 0 BAADRO COCC(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000998323626 643695599 /nfs/dbraw/zinc/69/55/99/643695599.db2.gz BSTARMBLGHYVEO-MRVPVSSYSA-N 1 0 229.280 -1.301 20 0 BAADRO COCC(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000998323646 643695440 /nfs/dbraw/zinc/69/54/40/643695440.db2.gz BSTARMBLGHYVEO-QMMMGPOBSA-N 1 0 229.280 -1.301 20 0 BAADRO NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC000998778822 711930776 /nfs/dbraw/zinc/93/07/76/711930776.db2.gz BRIZHQJJMPBNDQ-SSDOTTSWSA-N 1 0 242.279 -2.072 20 0 BAADRO NC(=O)C[NH2+][C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC000998778825 711931013 /nfs/dbraw/zinc/93/10/13/711931013.db2.gz BRIZHQJJMPBNDQ-ZETCQYMHSA-N 1 0 242.279 -2.072 20 0 BAADRO C[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC000998780792 711930808 /nfs/dbraw/zinc/93/08/08/711930808.db2.gz NCHUSXOJMBGCSK-BDAKNGLRSA-N 1 0 243.307 -1.177 20 0 BAADRO C[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC000998780794 711930716 /nfs/dbraw/zinc/93/07/16/711930716.db2.gz NCHUSXOJMBGCSK-DTWKUNHWSA-N 1 0 243.307 -1.177 20 0 BAADRO C[C@H](O)C[NH2+][C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC000998780796 711930849 /nfs/dbraw/zinc/93/08/49/711930849.db2.gz NCHUSXOJMBGCSK-IUCAKERBSA-N 1 0 243.307 -1.177 20 0 BAADRO C[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC000998780798 711930918 /nfs/dbraw/zinc/93/09/18/711930918.db2.gz NCHUSXOJMBGCSK-RKDXNWHRSA-N 1 0 243.307 -1.177 20 0 BAADRO NC(=O)CC(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000998788074 711930877 /nfs/dbraw/zinc/93/08/77/711930877.db2.gz VOADNHGJMIPAGW-MRVPVSSYSA-N 1 0 229.280 -1.565 20 0 BAADRO NC(=O)CC(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC000998788078 711930853 /nfs/dbraw/zinc/93/08/53/711930853.db2.gz VOADNHGJMIPAGW-QMMMGPOBSA-N 1 0 229.280 -1.565 20 0 BAADRO CN(C(=O)c1cn[nH]n1)C1CC([NH2+]CCO)C1 ZINC000999038793 643729316 /nfs/dbraw/zinc/72/93/16/643729316.db2.gz WGWCEEDVFOTPKM-UHFFFAOYSA-N 1 0 239.279 -1.010 20 0 BAADRO CN(C(=O)C(N)=O)C1CC([NH2+]CC(N)=O)C1 ZINC000999327062 643735169 /nfs/dbraw/zinc/73/51/69/643735169.db2.gz SKYCHLNIEAQYMZ-UHFFFAOYSA-N 1 0 228.252 -2.464 20 0 BAADRO C[C@@H]([NH2+]C1CC(N(C)C(=O)C(N)=O)C1)C(N)=O ZINC000999329223 643734352 /nfs/dbraw/zinc/73/43/52/643734352.db2.gz BWGUJQIEZJOMLF-GRQBKTHUSA-N 1 0 242.279 -2.076 20 0 BAADRO C[C@H]([NH2+]C1CC(N(C)C(=O)C(N)=O)C1)C(N)=O ZINC000999329235 643735361 /nfs/dbraw/zinc/73/53/61/643735361.db2.gz BWGUJQIEZJOMLF-VTSJMVTISA-N 1 0 242.279 -2.076 20 0 BAADRO C[C@@H](O)C[NH2+]C1CC(N(C)C(=O)C(N)=O)C1 ZINC000999330942 643734817 /nfs/dbraw/zinc/73/48/17/643734817.db2.gz KTLGMYOULINBRM-JECWYVHBSA-N 1 0 229.280 -1.569 20 0 BAADRO C[C@H](O)C[NH2+]C1CC(N(C)C(=O)C(N)=O)C1 ZINC000999330946 643734612 /nfs/dbraw/zinc/73/46/12/643734612.db2.gz KTLGMYOULINBRM-KKMMWDRVSA-N 1 0 229.280 -1.569 20 0 BAADRO CN(C(=O)C(N)=O)C1CC([NH2+]CCO)C1 ZINC000999333090 643734807 /nfs/dbraw/zinc/73/48/07/643734807.db2.gz DYTATCFGYWFOEC-UHFFFAOYSA-N 1 0 215.253 -1.957 20 0 BAADRO CN(C(=O)c1nc[nH]n1)C1CC([NH2+]CCO)C1 ZINC000999574644 643737734 /nfs/dbraw/zinc/73/77/34/643737734.db2.gz CNKJJXIKFDUHDM-UHFFFAOYSA-N 1 0 239.279 -1.010 20 0 BAADRO C[C@H]([NH2+][C@H]1CCCN(C(=O)C(N)=O)C1)C(N)=O ZINC001000049943 643745884 /nfs/dbraw/zinc/74/58/84/643745884.db2.gz AOSMIUJYMJAYNR-BQBZGAKWSA-N 1 0 242.279 -2.074 20 0 BAADRO C[C@H]([NH2+][C@@H]1CCCN(C(=O)C(N)=O)C1)C(N)=O ZINC001000049957 643746028 /nfs/dbraw/zinc/74/60/28/643746028.db2.gz AOSMIUJYMJAYNR-NKWVEPMBSA-N 1 0 242.279 -2.074 20 0 BAADRO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)C(N)=O)C1)C(N)=O ZINC001000049960 643744876 /nfs/dbraw/zinc/74/48/76/643744876.db2.gz AOSMIUJYMJAYNR-RNFRBKRXSA-N 1 0 242.279 -2.074 20 0 BAADRO C[C@@H]([NH2+][C@H]1CCCN(C(=O)C(N)=O)C1)C(N)=O ZINC001000049963 643745342 /nfs/dbraw/zinc/74/53/42/643745342.db2.gz AOSMIUJYMJAYNR-RQJHMYQMSA-N 1 0 242.279 -2.074 20 0 BAADRO C[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001000052658 643745411 /nfs/dbraw/zinc/74/54/11/643745411.db2.gz LZKSHXXRPMMUOH-HTQZYQBOSA-N 1 0 229.280 -1.567 20 0 BAADRO C[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001000052668 643745661 /nfs/dbraw/zinc/74/56/61/643745661.db2.gz LZKSHXXRPMMUOH-JGVFFNPUSA-N 1 0 229.280 -1.567 20 0 BAADRO C[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001000052670 643745050 /nfs/dbraw/zinc/74/50/50/643745050.db2.gz LZKSHXXRPMMUOH-SFYZADRCSA-N 1 0 229.280 -1.567 20 0 BAADRO C[C@H](O)C[NH2+][C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001000052672 643745841 /nfs/dbraw/zinc/74/58/41/643745841.db2.gz LZKSHXXRPMMUOH-YUMQZZPRSA-N 1 0 229.280 -1.567 20 0 BAADRO NC(=O)C[NH2+][C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001000054152 643747037 /nfs/dbraw/zinc/74/70/37/643747037.db2.gz BXNLPTJHPDLOHR-LURJTMIESA-N 1 0 228.252 -2.462 20 0 BAADRO NC(=O)C[NH2+][C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001000054155 643747577 /nfs/dbraw/zinc/74/75/77/643747577.db2.gz BXNLPTJHPDLOHR-ZCFIWIBFSA-N 1 0 228.252 -2.462 20 0 BAADRO NC(=O)C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001000064018 643750218 /nfs/dbraw/zinc/75/02/18/643750218.db2.gz PCVZPHFKLVHXHJ-SSDOTTSWSA-N 1 0 215.253 -1.955 20 0 BAADRO NC(=O)C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001000064028 643749055 /nfs/dbraw/zinc/74/90/55/643749055.db2.gz PCVZPHFKLVHXHJ-ZETCQYMHSA-N 1 0 215.253 -1.955 20 0 BAADRO O=C(NC1CC[NH+](CCO)CC1)c1cn[nH]n1 ZINC001003234448 643882731 /nfs/dbraw/zinc/88/27/31/643882731.db2.gz CHQPZMYTERJGQG-UHFFFAOYSA-N 1 0 239.279 -1.009 20 0 BAADRO C[C@@H](O)C[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001003538708 643901832 /nfs/dbraw/zinc/90/18/32/643901832.db2.gz COJZDAHGVVBKPJ-SSDOTTSWSA-N 1 0 229.280 -1.567 20 0 BAADRO C[C@H](O)C[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001003538716 643901962 /nfs/dbraw/zinc/90/19/62/643901962.db2.gz COJZDAHGVVBKPJ-ZETCQYMHSA-N 1 0 229.280 -1.567 20 0 BAADRO NC(=O)C(=O)NC1CC[NH+](CCCO)CC1 ZINC001003539996 643900777 /nfs/dbraw/zinc/90/07/77/643900777.db2.gz POZYDXPMBNMJRO-UHFFFAOYSA-N 1 0 229.280 -1.565 20 0 BAADRO COCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001003540302 643901677 /nfs/dbraw/zinc/90/16/77/643901677.db2.gz SCLYLJFAVLIRKW-UHFFFAOYSA-N 1 0 229.280 -1.301 20 0 BAADRO NC(=O)C(=O)NC1CC[NH+](CCO)CC1 ZINC001003542845 643900924 /nfs/dbraw/zinc/90/09/24/643900924.db2.gz ITKWAWPBWPJFAY-UHFFFAOYSA-N 1 0 215.253 -1.955 20 0 BAADRO O=C(NC1CC[NH+](CCO)CC1)c1nnc[nH]1 ZINC001003815740 643949503 /nfs/dbraw/zinc/94/95/03/643949503.db2.gz IPLVANLDBLGKBH-UHFFFAOYSA-N 1 0 239.279 -1.009 20 0 BAADRO C[C@@H](O)C[NH+]1CCC(N(C)C(=O)C(N)=O)CC1 ZINC001005914677 644264882 /nfs/dbraw/zinc/26/48/82/644264882.db2.gz OYWLYQRJFJDPCT-MRVPVSSYSA-N 1 0 243.307 -1.225 20 0 BAADRO C[C@H](O)C[NH+]1CCC(N(C)C(=O)C(N)=O)CC1 ZINC001005914679 644265201 /nfs/dbraw/zinc/26/52/01/644265201.db2.gz OYWLYQRJFJDPCT-QMMMGPOBSA-N 1 0 243.307 -1.225 20 0 BAADRO CN(C(=O)C(N)=O)C1CC[NH+](CCCO)CC1 ZINC001005921603 644268535 /nfs/dbraw/zinc/26/85/35/644268535.db2.gz WTNVGUFGRLQWQW-UHFFFAOYSA-N 1 0 243.307 -1.223 20 0 BAADRO C[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001008370038 642832663 /nfs/dbraw/zinc/83/26/63/642832663.db2.gz HHSNVCDHASSQTN-HTQZYQBOSA-N 1 0 229.280 -1.567 20 0 BAADRO C[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001008370043 642831725 /nfs/dbraw/zinc/83/17/25/642831725.db2.gz HHSNVCDHASSQTN-JGVFFNPUSA-N 1 0 229.280 -1.567 20 0 BAADRO C[C@@H](O)C[N@@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001008370047 642831911 /nfs/dbraw/zinc/83/19/11/642831911.db2.gz HHSNVCDHASSQTN-SFYZADRCSA-N 1 0 229.280 -1.567 20 0 BAADRO C[C@H](O)C[N@@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001008370051 642832331 /nfs/dbraw/zinc/83/23/31/642832331.db2.gz HHSNVCDHASSQTN-YUMQZZPRSA-N 1 0 229.280 -1.567 20 0 BAADRO NC(=O)C(=O)N[C@@H]1CCC[N@H+](CCO)C1 ZINC001008374107 642832831 /nfs/dbraw/zinc/83/28/31/642832831.db2.gz CCRLIARTHXOKTF-SSDOTTSWSA-N 1 0 215.253 -1.955 20 0 BAADRO NC(=O)C(=O)N[C@H]1CCC[N@H+](CCO)C1 ZINC001008374110 642832507 /nfs/dbraw/zinc/83/25/07/642832507.db2.gz CCRLIARTHXOKTF-ZETCQYMHSA-N 1 0 215.253 -1.955 20 0 BAADRO NC(=O)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001008381178 642831155 /nfs/dbraw/zinc/83/11/55/642831155.db2.gz XNYFWIWRZNHWIU-MRVPVSSYSA-N 1 0 229.280 -1.565 20 0 BAADRO NC(=O)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001008381179 642832676 /nfs/dbraw/zinc/83/26/76/642832676.db2.gz XNYFWIWRZNHWIU-QMMMGPOBSA-N 1 0 229.280 -1.565 20 0 BAADRO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001010077648 642850288 /nfs/dbraw/zinc/85/02/88/642850288.db2.gz IBGVVYJOFAJXCF-MRVPVSSYSA-N 1 0 240.267 -2.144 20 0 BAADRO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](CCO)C1 ZINC001010077657 642849064 /nfs/dbraw/zinc/84/90/64/642849064.db2.gz IBGVVYJOFAJXCF-QMMMGPOBSA-N 1 0 240.267 -2.144 20 0 BAADRO CC[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001010079487 642852666 /nfs/dbraw/zinc/85/26/66/642852666.db2.gz NVSZCEJSWRARTC-MRVPVSSYSA-N 1 0 224.268 -1.117 20 0 BAADRO CC[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001010079489 642852725 /nfs/dbraw/zinc/85/27/25/642852725.db2.gz NVSZCEJSWRARTC-QMMMGPOBSA-N 1 0 224.268 -1.117 20 0 BAADRO O=C(N[C@@H]1CC[N@@H+](CCO)C1)[C@H]1COCCO1 ZINC001010286739 642857944 /nfs/dbraw/zinc/85/79/44/642857944.db2.gz MSACUEGXEYPJJA-NXEZZACHSA-N 1 0 244.291 -1.415 20 0 BAADRO O=C(N[C@H]1CC[N@@H+](CCO)C1)[C@@H]1COCCO1 ZINC001010286740 642857899 /nfs/dbraw/zinc/85/78/99/642857899.db2.gz MSACUEGXEYPJJA-UWVGGRQHSA-N 1 0 244.291 -1.415 20 0 BAADRO O=C(N[C@H]1CC[N@@H+](CCO)C1)[C@H]1COCCO1 ZINC001010286741 642856354 /nfs/dbraw/zinc/85/63/54/642856354.db2.gz MSACUEGXEYPJJA-VHSXEESVSA-N 1 0 244.291 -1.415 20 0 BAADRO O=C(N[C@@H]1CC[N@@H+](CCO)C1)[C@@H]1COCCO1 ZINC001010286742 642857080 /nfs/dbraw/zinc/85/70/80/642857080.db2.gz MSACUEGXEYPJJA-ZJUUUORDSA-N 1 0 244.291 -1.415 20 0 BAADRO O=C(N[C@H]1CC[N@@H+](CCO)C1)[C@H]1CCC(=O)N1 ZINC001010382428 642863692 /nfs/dbraw/zinc/86/36/92/642863692.db2.gz DLAFYQOCPJHLBP-DTWKUNHWSA-N 1 0 241.291 -1.552 20 0 BAADRO O=C(N[C@@H]1CC[N@@H+](CCO)C1)[C@H]1CCC(=O)N1 ZINC001010382429 642862381 /nfs/dbraw/zinc/86/23/81/642862381.db2.gz DLAFYQOCPJHLBP-RKDXNWHRSA-N 1 0 241.291 -1.552 20 0 BAADRO O=C(N[C@@H]1CC[N@@H+](CCO)C1)[C@H]1COC(=O)N1 ZINC001010819361 642876002 /nfs/dbraw/zinc/87/60/02/642876002.db2.gz VGPNFJUKROVQRH-HTQZYQBOSA-N 1 0 243.263 -1.722 20 0 BAADRO O=C(N[C@H]1CC[N@@H+](CCO)C1)[C@H]1COC(=O)N1 ZINC001010819368 642875538 /nfs/dbraw/zinc/87/55/38/642875538.db2.gz VGPNFJUKROVQRH-JGVFFNPUSA-N 1 0 243.263 -1.722 20 0 BAADRO O=C(N[C@@H]1CC[N@@H+](CCO)C1)[C@@H]1COC(=O)N1 ZINC001010819375 642876473 /nfs/dbraw/zinc/87/64/73/642876473.db2.gz VGPNFJUKROVQRH-SFYZADRCSA-N 1 0 243.263 -1.722 20 0 BAADRO O=C(N[C@H]1CC[N@@H+](CCO)C1)[C@@H]1COC(=O)N1 ZINC001010819383 642875036 /nfs/dbraw/zinc/87/50/36/642875036.db2.gz VGPNFJUKROVQRH-YUMQZZPRSA-N 1 0 243.263 -1.722 20 0 BAADRO Cn1nncc1C(=O)N[C@@H]1CC[N@H+](CCO)C1 ZINC001010846023 642875672 /nfs/dbraw/zinc/87/56/72/642875672.db2.gz YSGHGUKUHQWPRN-MRVPVSSYSA-N 1 0 239.279 -1.389 20 0 BAADRO Cn1nncc1C(=O)N[C@H]1CC[N@H+](CCO)C1 ZINC001010846026 642875222 /nfs/dbraw/zinc/87/52/22/642875222.db2.gz YSGHGUKUHQWPRN-QMMMGPOBSA-N 1 0 239.279 -1.389 20 0 BAADRO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CCO)C2)nn1 ZINC001010872437 642876218 /nfs/dbraw/zinc/87/62/18/642876218.db2.gz QADKALYLTZLCGR-MRVPVSSYSA-N 1 0 239.279 -1.389 20 0 BAADRO Cn1cc(C(=O)N[C@H]2CC[N@H+](CCO)C2)nn1 ZINC001010872439 642875608 /nfs/dbraw/zinc/87/56/08/642875608.db2.gz QADKALYLTZLCGR-QMMMGPOBSA-N 1 0 239.279 -1.389 20 0 BAADRO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](CCO)C2)n1 ZINC001010881569 642874740 /nfs/dbraw/zinc/87/47/40/642874740.db2.gz YPTZHDMEYMTNMB-MRVPVSSYSA-N 1 0 239.279 -1.389 20 0 BAADRO Cn1cnc(C(=O)N[C@H]2CC[N@H+](CCO)C2)n1 ZINC001010881570 642874869 /nfs/dbraw/zinc/87/48/69/642874869.db2.gz YPTZHDMEYMTNMB-QMMMGPOBSA-N 1 0 239.279 -1.389 20 0 BAADRO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001014433026 642888169 /nfs/dbraw/zinc/88/81/69/642888169.db2.gz AORBXKWUBUTOIJ-MRVPVSSYSA-N 1 0 240.267 -2.144 20 0 BAADRO O=C(Cn1ncnn1)N[C@H]1CC[N@@H+](CCO)C1 ZINC001014433037 642889703 /nfs/dbraw/zinc/88/97/03/642889703.db2.gz AORBXKWUBUTOIJ-QMMMGPOBSA-N 1 0 240.267 -2.144 20 0 BAADRO CC[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001014448340 642888474 /nfs/dbraw/zinc/88/84/74/642888474.db2.gz VIXHIHQHPNNUBN-MRVPVSSYSA-N 1 0 224.268 -1.117 20 0 BAADRO CC[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001014448341 642889948 /nfs/dbraw/zinc/88/99/48/642889948.db2.gz VIXHIHQHPNNUBN-QMMMGPOBSA-N 1 0 224.268 -1.117 20 0 BAADRO O=C(Cn1nccn1)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001014576373 642890498 /nfs/dbraw/zinc/89/04/98/642890498.db2.gz VNBTUUVVINBBCB-SECBINFHSA-N 1 0 239.279 -1.539 20 0 BAADRO O=C(Cn1nccn1)N[C@H]1CC[N@@H+](CCO)C1 ZINC001014576377 642891712 /nfs/dbraw/zinc/89/17/12/642891712.db2.gz VNBTUUVVINBBCB-VIFPVBQESA-N 1 0 239.279 -1.539 20 0 BAADRO O=C(N[C@@H]1CC[N@@H+](CCO)C1)c1cn[nH]n1 ZINC001015059941 642894630 /nfs/dbraw/zinc/89/46/30/642894630.db2.gz IKOUNVAVXGPNMN-SSDOTTSWSA-N 1 0 225.252 -1.399 20 0 BAADRO O=C(N[C@H]1CC[N@@H+](CCO)C1)c1cn[nH]n1 ZINC001015059954 642896024 /nfs/dbraw/zinc/89/60/24/642896024.db2.gz IKOUNVAVXGPNMN-ZETCQYMHSA-N 1 0 225.252 -1.399 20 0 BAADRO O=C(N[C@@H]1CC[N@@H+](CCCO)C1)c1cn[nH]n1 ZINC001015062023 642896297 /nfs/dbraw/zinc/89/62/97/642896297.db2.gz PFHXPIYUZDGFRH-MRVPVSSYSA-N 1 0 239.279 -1.009 20 0 BAADRO O=C(N[C@H]1CC[N@@H+](CCCO)C1)c1cn[nH]n1 ZINC001015062038 642894655 /nfs/dbraw/zinc/89/46/55/642894655.db2.gz PFHXPIYUZDGFRH-QMMMGPOBSA-N 1 0 239.279 -1.009 20 0 BAADRO C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC001015065992 642895632 /nfs/dbraw/zinc/89/56/32/642895632.db2.gz HSRMGIOXSPNXMU-HTQZYQBOSA-N 1 0 239.279 -1.010 20 0 BAADRO C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC001015065993 642894699 /nfs/dbraw/zinc/89/46/99/642894699.db2.gz HSRMGIOXSPNXMU-JGVFFNPUSA-N 1 0 239.279 -1.010 20 0 BAADRO C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001015065994 642894058 /nfs/dbraw/zinc/89/40/58/642894058.db2.gz HSRMGIOXSPNXMU-SFYZADRCSA-N 1 0 239.279 -1.010 20 0 BAADRO C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001015065995 642896108 /nfs/dbraw/zinc/89/61/08/642896108.db2.gz HSRMGIOXSPNXMU-YUMQZZPRSA-N 1 0 239.279 -1.010 20 0 BAADRO Cc1nn[nH]c1C(=O)N[C@@H]1CC[N@H+](CCO)C1 ZINC001015487665 642899894 /nfs/dbraw/zinc/89/98/94/642899894.db2.gz NJCWQUVIEDFAMA-MRVPVSSYSA-N 1 0 239.279 -1.090 20 0 BAADRO Cc1nn[nH]c1C(=O)N[C@H]1CC[N@H+](CCO)C1 ZINC001015487668 642899975 /nfs/dbraw/zinc/89/99/75/642899975.db2.gz NJCWQUVIEDFAMA-QMMMGPOBSA-N 1 0 239.279 -1.090 20 0 BAADRO O=C(N[C@@H]1CC[N@@H+](CCO)C1)[C@H]1CCNC1=O ZINC001015524918 642901108 /nfs/dbraw/zinc/90/11/08/642901108.db2.gz QDRRAHUHCVZMND-BDAKNGLRSA-N 1 0 241.291 -1.695 20 0 BAADRO O=C(N[C@H]1CC[N@@H+](CCO)C1)[C@@H]1CCNC1=O ZINC001015524927 642900558 /nfs/dbraw/zinc/90/05/58/642900558.db2.gz QDRRAHUHCVZMND-DTWKUNHWSA-N 1 0 241.291 -1.695 20 0 BAADRO O=C(N[C@H]1CC[N@@H+](CCO)C1)[C@H]1CCNC1=O ZINC001015524931 642901915 /nfs/dbraw/zinc/90/19/15/642901915.db2.gz QDRRAHUHCVZMND-IUCAKERBSA-N 1 0 241.291 -1.695 20 0 BAADRO O=C(N[C@@H]1CC[N@@H+](CCO)C1)[C@@H]1CCNC1=O ZINC001015524935 642904252 /nfs/dbraw/zinc/90/42/52/642904252.db2.gz QDRRAHUHCVZMND-RKDXNWHRSA-N 1 0 241.291 -1.695 20 0 BAADRO Cn1nnc(C(=O)N[C@@H]2CC[N@H+](CCO)C2)n1 ZINC001015555185 642905845 /nfs/dbraw/zinc/90/58/45/642905845.db2.gz UHCXQPIYKSRGGL-SSDOTTSWSA-N 1 0 240.267 -1.994 20 0 BAADRO Cn1nnc(C(=O)N[C@H]2CC[N@H+](CCO)C2)n1 ZINC001015555186 642907429 /nfs/dbraw/zinc/90/74/29/642907429.db2.gz UHCXQPIYKSRGGL-ZETCQYMHSA-N 1 0 240.267 -1.994 20 0 BAADRO CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001015632974 642911994 /nfs/dbraw/zinc/91/19/94/642911994.db2.gz CBQMYXWGRVCURW-HTQZYQBOSA-N 1 0 226.280 -1.122 20 0 BAADRO CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001015632975 642915015 /nfs/dbraw/zinc/91/50/15/642915015.db2.gz CBQMYXWGRVCURW-JGVFFNPUSA-N 1 0 226.280 -1.122 20 0 BAADRO CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001015632976 642914155 /nfs/dbraw/zinc/91/41/55/642914155.db2.gz CBQMYXWGRVCURW-SFYZADRCSA-N 1 0 226.280 -1.122 20 0 BAADRO CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001015632977 642910504 /nfs/dbraw/zinc/91/05/04/642910504.db2.gz CBQMYXWGRVCURW-YUMQZZPRSA-N 1 0 226.280 -1.122 20 0 BAADRO O=C(N[C@@H]1CC[N@@H+](CCO)C1)[C@H]1CNC(=O)N1 ZINC001015636803 642910618 /nfs/dbraw/zinc/91/06/18/642910618.db2.gz KOKVTURRIUPJPV-HTQZYQBOSA-N 1 0 242.279 -2.149 20 0 BAADRO O=C(N[C@H]1CC[N@@H+](CCO)C1)[C@H]1CNC(=O)N1 ZINC001015636804 642911812 /nfs/dbraw/zinc/91/18/12/642911812.db2.gz KOKVTURRIUPJPV-JGVFFNPUSA-N 1 0 242.279 -2.149 20 0 BAADRO O=C(N[C@@H]1CC[N@@H+](CCO)C1)[C@@H]1CNC(=O)N1 ZINC001015636805 642913225 /nfs/dbraw/zinc/91/32/25/642913225.db2.gz KOKVTURRIUPJPV-SFYZADRCSA-N 1 0 242.279 -2.149 20 0 BAADRO O=C(N[C@H]1CC[N@@H+](CCO)C1)[C@@H]1CNC(=O)N1 ZINC001015636806 642914372 /nfs/dbraw/zinc/91/43/72/642914372.db2.gz KOKVTURRIUPJPV-YUMQZZPRSA-N 1 0 242.279 -2.149 20 0 BAADRO C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001015640327 642914206 /nfs/dbraw/zinc/91/42/06/642914206.db2.gz MLIAXOVJCIMETK-BQBZGAKWSA-N 1 0 215.253 -1.957 20 0 BAADRO C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001015640328 642912903 /nfs/dbraw/zinc/91/29/03/642912903.db2.gz MLIAXOVJCIMETK-NKWVEPMBSA-N 1 0 215.253 -1.957 20 0 BAADRO C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001015640329 642914279 /nfs/dbraw/zinc/91/42/79/642914279.db2.gz MLIAXOVJCIMETK-RNFRBKRXSA-N 1 0 215.253 -1.957 20 0 BAADRO C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001015640330 642914558 /nfs/dbraw/zinc/91/45/58/642914558.db2.gz MLIAXOVJCIMETK-RQJHMYQMSA-N 1 0 215.253 -1.957 20 0 BAADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001015640688 642918542 /nfs/dbraw/zinc/91/85/42/642918542.db2.gz PQEQJDSDWNUNDX-SSDOTTSWSA-N 1 0 215.253 -1.691 20 0 BAADRO COCC[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001015640689 642920155 /nfs/dbraw/zinc/92/01/55/642920155.db2.gz PQEQJDSDWNUNDX-ZETCQYMHSA-N 1 0 215.253 -1.691 20 0 BAADRO CO[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001015641151 642916289 /nfs/dbraw/zinc/91/62/89/642916289.db2.gz ZNYDLUISYTYAHM-HTQZYQBOSA-N 1 0 229.280 -1.303 20 0 BAADRO CO[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001015641152 642917776 /nfs/dbraw/zinc/91/77/76/642917776.db2.gz ZNYDLUISYTYAHM-JGVFFNPUSA-N 1 0 229.280 -1.303 20 0 BAADRO CO[C@H](C)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001015641153 642920689 /nfs/dbraw/zinc/92/06/89/642920689.db2.gz ZNYDLUISYTYAHM-SFYZADRCSA-N 1 0 229.280 -1.303 20 0 BAADRO CO[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001015641154 642920623 /nfs/dbraw/zinc/92/06/23/642920623.db2.gz ZNYDLUISYTYAHM-YUMQZZPRSA-N 1 0 229.280 -1.303 20 0 BAADRO NC(=O)C(=O)N[C@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001015641408 642915749 /nfs/dbraw/zinc/91/57/49/642915749.db2.gz JBPBPXZNNFEKPY-BDAKNGLRSA-N 1 0 241.291 -1.301 20 0 BAADRO NC(=O)C(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001015641409 642914498 /nfs/dbraw/zinc/91/44/98/642914498.db2.gz JBPBPXZNNFEKPY-DTWKUNHWSA-N 1 0 241.291 -1.301 20 0 BAADRO NC(=O)C(=O)N[C@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001015641410 642914683 /nfs/dbraw/zinc/91/46/83/642914683.db2.gz JBPBPXZNNFEKPY-IUCAKERBSA-N 1 0 241.291 -1.301 20 0 BAADRO NC(=O)C(=O)N[C@@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001015641411 642912736 /nfs/dbraw/zinc/91/27/36/642912736.db2.gz JBPBPXZNNFEKPY-RKDXNWHRSA-N 1 0 241.291 -1.301 20 0 BAADRO NC(=O)C(=O)N[C@@H]1CC[N@H+](CCCO)C1 ZINC001015641754 642918035 /nfs/dbraw/zinc/91/80/35/642918035.db2.gz NYAMNZHEAPZPEH-SSDOTTSWSA-N 1 0 215.253 -1.955 20 0 BAADRO NC(=O)C(=O)N[C@H]1CC[N@H+](CCCO)C1 ZINC001015641755 642920927 /nfs/dbraw/zinc/92/09/27/642920927.db2.gz NYAMNZHEAPZPEH-ZETCQYMHSA-N 1 0 215.253 -1.955 20 0 BAADRO COC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001015642249 642920380 /nfs/dbraw/zinc/92/03/80/642920380.db2.gz SEIWALKCHLYSDR-HTQZYQBOSA-N 1 0 229.280 -1.303 20 0 BAADRO COC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001015642250 642920090 /nfs/dbraw/zinc/92/00/90/642920090.db2.gz SEIWALKCHLYSDR-JGVFFNPUSA-N 1 0 229.280 -1.303 20 0 BAADRO COC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001015642251 642918356 /nfs/dbraw/zinc/91/83/56/642918356.db2.gz SEIWALKCHLYSDR-SFYZADRCSA-N 1 0 229.280 -1.303 20 0 BAADRO COC[C@H](C)[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001015642252 642917285 /nfs/dbraw/zinc/91/72/85/642917285.db2.gz SEIWALKCHLYSDR-YUMQZZPRSA-N 1 0 229.280 -1.303 20 0 BAADRO NC(=O)C(=O)N[C@H]1CC[N@H+](CCO)C1 ZINC001015642273 642916941 /nfs/dbraw/zinc/91/69/41/642916941.db2.gz SPRASGAMAIPSIJ-LURJTMIESA-N 1 0 201.226 -2.346 20 0 BAADRO NC(=O)C(=O)N[C@@H]1CC[N@H+](CCO)C1 ZINC001015642274 642916187 /nfs/dbraw/zinc/91/61/87/642916187.db2.gz SPRASGAMAIPSIJ-ZCFIWIBFSA-N 1 0 201.226 -2.346 20 0 BAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCO)C1 ZINC001015714813 642926048 /nfs/dbraw/zinc/92/60/48/642926048.db2.gz KQKIBFIFLCLAOL-HLTSFMKQSA-N 1 0 241.291 -1.709 20 0 BAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@H+](CCO)C1 ZINC001015714814 642926111 /nfs/dbraw/zinc/92/61/11/642926111.db2.gz KQKIBFIFLCLAOL-YIZRAAEISA-N 1 0 241.291 -1.709 20 0 BAADRO Cn1ncc(C(=O)N[C@@H]2CC[N@H+](CCO)C2)n1 ZINC001015842738 642933936 /nfs/dbraw/zinc/93/39/36/642933936.db2.gz QQOZBWFNITYQOH-MRVPVSSYSA-N 1 0 239.279 -1.389 20 0 BAADRO Cn1ncc(C(=O)N[C@H]2CC[N@H+](CCO)C2)n1 ZINC001015842740 642938453 /nfs/dbraw/zinc/93/84/53/642938453.db2.gz QQOZBWFNITYQOH-QMMMGPOBSA-N 1 0 239.279 -1.389 20 0 BAADRO C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)c2nnc[nH]2)C1 ZINC001015871027 642937713 /nfs/dbraw/zinc/93/77/13/642937713.db2.gz FSXMFYQROYKSDI-HTQZYQBOSA-N 1 0 239.279 -1.010 20 0 BAADRO C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)c2nnc[nH]2)C1 ZINC001015871028 642933153 /nfs/dbraw/zinc/93/31/53/642933153.db2.gz FSXMFYQROYKSDI-JGVFFNPUSA-N 1 0 239.279 -1.010 20 0 BAADRO C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001015871029 642937114 /nfs/dbraw/zinc/93/71/14/642937114.db2.gz FSXMFYQROYKSDI-SFYZADRCSA-N 1 0 239.279 -1.010 20 0 BAADRO C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001015871030 642936645 /nfs/dbraw/zinc/93/66/45/642936645.db2.gz FSXMFYQROYKSDI-YUMQZZPRSA-N 1 0 239.279 -1.010 20 0 BAADRO O=C(N[C@@H]1CC[N@@H+](CCCO)C1)c1nnc[nH]1 ZINC001015871887 642933584 /nfs/dbraw/zinc/93/35/84/642933584.db2.gz VGGNTRAYBBIGDD-MRVPVSSYSA-N 1 0 239.279 -1.009 20 0 BAADRO O=C(N[C@H]1CC[N@@H+](CCCO)C1)c1nnc[nH]1 ZINC001015871888 642937985 /nfs/dbraw/zinc/93/79/85/642937985.db2.gz VGGNTRAYBBIGDD-QMMMGPOBSA-N 1 0 239.279 -1.009 20 0 BAADRO O=C(N[C@@H]1CC[N@@H+](CCO)C1)c1cnon1 ZINC001015879954 642933314 /nfs/dbraw/zinc/93/33/14/642933314.db2.gz GUSRJNQBFYASGJ-SSDOTTSWSA-N 1 0 226.236 -1.134 20 0 BAADRO O=C(N[C@H]1CC[N@@H+](CCO)C1)c1cnon1 ZINC001015879955 642937371 /nfs/dbraw/zinc/93/73/71/642937371.db2.gz GUSRJNQBFYASGJ-ZETCQYMHSA-N 1 0 226.236 -1.134 20 0 BAADRO O=C(Cc1nc[nH]n1)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001015969670 642942034 /nfs/dbraw/zinc/94/20/34/642942034.db2.gz DSLPIJVZISSNSY-MRVPVSSYSA-N 1 0 239.279 -1.470 20 0 BAADRO O=C(Cc1nc[nH]n1)N[C@H]1CC[N@@H+](CCO)C1 ZINC001015969671 642944296 /nfs/dbraw/zinc/94/42/96/642944296.db2.gz DSLPIJVZISSNSY-QMMMGPOBSA-N 1 0 239.279 -1.470 20 0 BAADRO O=C(N[C@@H]1CC[N@@H+](CCO)C1)[C@@H]1CCC(=O)N1 ZINC001016032755 643652730 /nfs/dbraw/zinc/65/27/30/643652730.db2.gz DLAFYQOCPJHLBP-BDAKNGLRSA-N 1 0 241.291 -1.552 20 0 BAADRO O=C(N[C@H]1CC[N@@H+](CCO)C1)[C@@H]1CCC(=O)N1 ZINC001016032756 643653074 /nfs/dbraw/zinc/65/30/74/643653074.db2.gz DLAFYQOCPJHLBP-IUCAKERBSA-N 1 0 241.291 -1.552 20 0 BAADRO O=C(Cn1cncn1)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001016192659 642946587 /nfs/dbraw/zinc/94/65/87/642946587.db2.gz NHSALBSOJDPKTK-SECBINFHSA-N 1 0 239.279 -1.539 20 0 BAADRO O=C(Cn1cncn1)N[C@H]1CC[N@@H+](CCO)C1 ZINC001016192660 642948330 /nfs/dbraw/zinc/94/83/30/642948330.db2.gz NHSALBSOJDPKTK-VIFPVBQESA-N 1 0 239.279 -1.539 20 0 BAADRO NC(=O)C(=O)N[C@@H]1CC12CC[NH+](CCO)CC2 ZINC001016801819 642962760 /nfs/dbraw/zinc/96/27/60/642962760.db2.gz BIDHYFLMFQLUAJ-MRVPVSSYSA-N 1 0 241.291 -1.565 20 0 BAADRO NC(=O)C(=O)N[C@H]1CC12CC[NH+](CCO)CC2 ZINC001016801821 642962612 /nfs/dbraw/zinc/96/26/12/642962612.db2.gz BIDHYFLMFQLUAJ-QMMMGPOBSA-N 1 0 241.291 -1.565 20 0 BAADRO COCC(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001018373815 710664167 /nfs/dbraw/zinc/66/41/67/710664167.db2.gz GJIDTCHCBKVCLM-SFYZADRCSA-N 1 0 229.280 -1.303 20 0 BAADRO COCC(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001018373816 710664789 /nfs/dbraw/zinc/66/47/89/710664789.db2.gz GJIDTCHCBKVCLM-YUMQZZPRSA-N 1 0 229.280 -1.303 20 0 BAADRO COCC(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001018377669 710665434 /nfs/dbraw/zinc/66/54/34/710665434.db2.gz UTKBBLKHNPVPGM-QMMMGPOBSA-N 1 0 202.254 -1.184 20 0 BAADRO NC(=O)C[NH2+][C@H]1CCN(C(=O)C(F)F)C1 ZINC001018383158 642986189 /nfs/dbraw/zinc/98/61/89/642986189.db2.gz ZEDRHISFFNLXKA-YFKPBYRVSA-N 1 0 221.207 -1.073 20 0 BAADRO COCC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001018387458 642988527 /nfs/dbraw/zinc/98/85/27/642988527.db2.gz DUMNFNRROSMOJQ-ZETCQYMHSA-N 1 0 215.253 -1.691 20 0 BAADRO COCC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001018389255 642988202 /nfs/dbraw/zinc/98/82/02/642988202.db2.gz UQELMICNBLUWCL-DTWKUNHWSA-N 1 0 241.291 -1.288 20 0 BAADRO COCC(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001018389256 642987414 /nfs/dbraw/zinc/98/74/14/642987414.db2.gz UQELMICNBLUWCL-IUCAKERBSA-N 1 0 241.291 -1.288 20 0 BAADRO NC(=O)C[NH2+][C@H]1CCN(C(=O)c2cnccn2)C1 ZINC001018442281 642990057 /nfs/dbraw/zinc/99/00/57/642990057.db2.gz QNCMCRDYYSOHDZ-QMMMGPOBSA-N 1 0 249.274 -1.234 20 0 BAADRO NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC001018469732 633088200 /nfs/dbraw/zinc/08/82/00/633088200.db2.gz YQAFXFQQMHCBFD-DTWKUNHWSA-N 1 0 241.291 -1.159 20 0 BAADRO NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC001018469733 633087244 /nfs/dbraw/zinc/08/72/44/633087244.db2.gz YQAFXFQQMHCBFD-IUCAKERBSA-N 1 0 241.291 -1.159 20 0 BAADRO O=C(Cn1cnnn1)N1CC[C@H]([NH2+]CCF)C1 ZINC001018479212 642993294 /nfs/dbraw/zinc/99/32/94/642993294.db2.gz BSBKWALJFIYRHD-QMMMGPOBSA-N 1 0 242.258 -1.167 20 0 BAADRO O=C(Cn1cnnn1)N1CC[C@H]([NH2+]CCO)C1 ZINC001018481872 642993707 /nfs/dbraw/zinc/99/37/07/642993707.db2.gz PBHAXAGZCIYUSL-QMMMGPOBSA-N 1 0 240.267 -2.144 20 0 BAADRO NC(=O)C[NH2+][C@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC001018543629 642997074 /nfs/dbraw/zinc/99/70/74/642997074.db2.gz BNTQHWYAOASIHP-ZETCQYMHSA-N 1 0 237.263 -1.301 20 0 BAADRO O=C([C@@H]1COCCO1)N1CC[C@H]([NH2+]CCO)C1 ZINC001018546105 643001824 /nfs/dbraw/zinc/00/18/24/643001824.db2.gz IKILSCGJWZCXDV-UWVGGRQHSA-N 1 0 244.291 -1.415 20 0 BAADRO O=C([C@H]1COCCO1)N1CC[C@H]([NH2+]CCO)C1 ZINC001018546106 643001110 /nfs/dbraw/zinc/00/11/10/643001110.db2.gz IKILSCGJWZCXDV-VHSXEESVSA-N 1 0 244.291 -1.415 20 0 BAADRO NC(=O)C[NH2+][C@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001018560946 643001519 /nfs/dbraw/zinc/00/15/19/643001519.db2.gz RTFMHBVPGZRRGC-QMMMGPOBSA-N 1 0 237.263 -1.301 20 0 BAADRO NC(=O)C[NH2+][C@H]1CCN(C(=O)c2ccon2)C1 ZINC001018562284 643001235 /nfs/dbraw/zinc/00/12/35/643001235.db2.gz DGJWBXCPYWEJQX-ZETCQYMHSA-N 1 0 238.247 -1.036 20 0 BAADRO CO[C@H](C)C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001018584920 643000494 /nfs/dbraw/zinc/00/04/94/643000494.db2.gz YICHPIAARLAINI-SFYZADRCSA-N 1 0 229.280 -1.303 20 0 BAADRO CO[C@@H](C)C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001018584923 642999945 /nfs/dbraw/zinc/99/99/45/642999945.db2.gz YICHPIAARLAINI-YUMQZZPRSA-N 1 0 229.280 -1.303 20 0 BAADRO NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC001018601506 643003026 /nfs/dbraw/zinc/00/30/26/643003026.db2.gz UUGBBBSNQAUBET-BDAKNGLRSA-N 1 0 241.291 -1.301 20 0 BAADRO NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCOC2)C1 ZINC001018601507 643004020 /nfs/dbraw/zinc/00/40/20/643004020.db2.gz UUGBBBSNQAUBET-IUCAKERBSA-N 1 0 241.291 -1.301 20 0 BAADRO NC(=O)C[NH2+][C@H]1CCN(C(=O)c2cocn2)C1 ZINC001018619004 643004192 /nfs/dbraw/zinc/00/41/92/643004192.db2.gz VFUPUZZCYSSSEL-ZETCQYMHSA-N 1 0 238.247 -1.036 20 0 BAADRO O=C([C@H]1CCC(=O)N1)N1CC[C@H]([NH2+]CCO)C1 ZINC001018621306 643002919 /nfs/dbraw/zinc/00/29/19/643002919.db2.gz FJGOOAXSFFVNKM-DTWKUNHWSA-N 1 0 241.291 -1.552 20 0 BAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)CC(N)=O)C1)C(N)=O ZINC001018645699 643005541 /nfs/dbraw/zinc/00/55/41/643005541.db2.gz CYWZHLNPRUZZCV-BQBZGAKWSA-N 1 0 242.279 -2.074 20 0 BAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)CC(N)=O)C1)C(N)=O ZINC001018645703 643004897 /nfs/dbraw/zinc/00/48/97/643004897.db2.gz CYWZHLNPRUZZCV-RQJHMYQMSA-N 1 0 242.279 -2.074 20 0 BAADRO C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001018646563 643005072 /nfs/dbraw/zinc/00/50/72/643005072.db2.gz KZEOQTPWZIELJB-SFYZADRCSA-N 1 0 229.280 -1.567 20 0 BAADRO C[C@H](O)C[NH2+][C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001018646579 643005876 /nfs/dbraw/zinc/00/58/76/643005876.db2.gz KZEOQTPWZIELJB-YUMQZZPRSA-N 1 0 229.280 -1.567 20 0 BAADRO NC(=O)C[NH2+][C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001018647556 643004588 /nfs/dbraw/zinc/00/45/88/643004588.db2.gz VWJVLPJDJRDWCP-LURJTMIESA-N 1 0 228.252 -2.462 20 0 BAADRO NC(=O)CC(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001018649853 643006433 /nfs/dbraw/zinc/00/64/33/643006433.db2.gz FFPYYWUKFNFQQF-ZETCQYMHSA-N 1 0 215.253 -1.955 20 0 BAADRO NC(=O)C[NH2+][C@H]1CCN(C(=O)c2cncnc2)C1 ZINC001018753485 710669063 /nfs/dbraw/zinc/66/90/63/710669063.db2.gz SVSYRIBATSNRQQ-VIFPVBQESA-N 1 0 249.274 -1.234 20 0 BAADRO CC(C)(O)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001018785805 643010582 /nfs/dbraw/zinc/01/05/82/643010582.db2.gz HZJKCKXHBSAYHP-QMMMGPOBSA-N 1 0 243.307 -1.177 20 0 BAADRO O=C([C@H]1COC(=O)N1)N1CC[C@H]([NH2+]CCO)C1 ZINC001018787274 643009721 /nfs/dbraw/zinc/00/97/21/643009721.db2.gz FVDOUHWMFLLZOB-JGVFFNPUSA-N 1 0 243.263 -1.722 20 0 BAADRO O=C([C@@H]1COC(=O)N1)N1CC[C@H]([NH2+]CCO)C1 ZINC001018787276 643011360 /nfs/dbraw/zinc/01/13/60/643011360.db2.gz FVDOUHWMFLLZOB-YUMQZZPRSA-N 1 0 243.263 -1.722 20 0 BAADRO Cn1nncc1C(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001018792437 643009596 /nfs/dbraw/zinc/00/95/96/643009596.db2.gz CQAHKMJDXSLQQT-QMMMGPOBSA-N 1 0 239.279 -1.389 20 0 BAADRO CC(C)[C@@H](O)C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001018799902 643010078 /nfs/dbraw/zinc/01/00/78/643010078.db2.gz GTSGOYCXZQAIDD-WCBMZHEXSA-N 1 0 243.307 -1.321 20 0 BAADRO Cn1cnc(C(=O)N2CC[C@H]([NH2+]CCO)C2)n1 ZINC001018803621 643009952 /nfs/dbraw/zinc/00/99/52/643009952.db2.gz XHSSNFLLFWQHEO-QMMMGPOBSA-N 1 0 239.279 -1.389 20 0 BAADRO Cn1cc(C(=O)N2CC[C@H]([NH2+]CCO)C2)nn1 ZINC001018806713 643010412 /nfs/dbraw/zinc/01/04/12/643010412.db2.gz GEIAGFQUQGJFFJ-QMMMGPOBSA-N 1 0 239.279 -1.389 20 0 BAADRO NC(=O)C[NH2+][C@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC001018821314 643014311 /nfs/dbraw/zinc/01/43/11/643014311.db2.gz BSWWZRJKUOCZRI-ZETCQYMHSA-N 1 0 237.263 -1.301 20 0 BAADRO O=C(Cn1ncnn1)N1CC[C@H]([NH2+]CCF)C1 ZINC001018850861 643012262 /nfs/dbraw/zinc/01/22/62/643012262.db2.gz GHKYYBZDLFGHDC-QMMMGPOBSA-N 1 0 242.258 -1.167 20 0 BAADRO CC[NH2+][C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001018853077 643013744 /nfs/dbraw/zinc/01/37/44/643013744.db2.gz PQDSYDXQCZHJTL-QMMMGPOBSA-N 1 0 224.268 -1.117 20 0 BAADRO O=C(Cn1ncnn1)N1CC[C@H]([NH2+]CCO)C1 ZINC001018853374 643013812 /nfs/dbraw/zinc/01/38/12/643013812.db2.gz XCNDFTNDHGPOBT-QMMMGPOBSA-N 1 0 240.267 -2.144 20 0 BAADRO O=C(Cn1nccn1)N1CC[C@H]([NH2+]CCO)C1 ZINC001018914236 643015410 /nfs/dbraw/zinc/01/54/10/643015410.db2.gz AFOHMCKRRULHNL-VIFPVBQESA-N 1 0 239.279 -1.539 20 0 BAADRO CC(C)(C(N)=O)C(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001018999026 643017381 /nfs/dbraw/zinc/01/73/81/643017381.db2.gz CYQLEXSKAXDTIY-QMMMGPOBSA-N 1 0 243.307 -1.319 20 0 BAADRO C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001019079717 643020514 /nfs/dbraw/zinc/02/05/14/643020514.db2.gz DOFLOZUCZDDKKP-SFYZADRCSA-N 1 0 239.279 -1.010 20 0 BAADRO C[C@H](O)C[NH2+][C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001019079718 643018232 /nfs/dbraw/zinc/01/82/32/643018232.db2.gz DOFLOZUCZDDKKP-YUMQZZPRSA-N 1 0 239.279 -1.010 20 0 BAADRO NC(=O)C[NH2+][C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001019079932 643019074 /nfs/dbraw/zinc/01/90/74/643019074.db2.gz OXEQVACONHPPKJ-LURJTMIESA-N 1 0 238.251 -1.906 20 0 BAADRO O=C(c1cn[nH]n1)N1CC[C@H]([NH2+]CCO)C1 ZINC001019080807 643020881 /nfs/dbraw/zinc/02/08/81/643020881.db2.gz BMNDZVOEZOMYOL-ZETCQYMHSA-N 1 0 225.252 -1.399 20 0 BAADRO NC(=O)C[NH2+][C@H]1CCN(C(=O)c2cnco2)C1 ZINC001019209456 643022589 /nfs/dbraw/zinc/02/25/89/643022589.db2.gz NMWYJIORPPRNKJ-ZETCQYMHSA-N 1 0 238.247 -1.036 20 0 BAADRO Cc1n[nH]nc1C(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019224713 643021623 /nfs/dbraw/zinc/02/16/23/643021623.db2.gz DUTRLYSOWVDVGB-QMMMGPOBSA-N 1 0 239.279 -1.090 20 0 BAADRO O=C([C@@H]1CCNC1=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019239291 643023655 /nfs/dbraw/zinc/02/36/55/643023655.db2.gz LUIDSAZLYNIAAW-DTWKUNHWSA-N 1 0 241.291 -1.695 20 0 BAADRO O=C([C@H]1CCNC1=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019239292 643022913 /nfs/dbraw/zinc/02/29/13/643022913.db2.gz LUIDSAZLYNIAAW-IUCAKERBSA-N 1 0 241.291 -1.695 20 0 BAADRO Cn1nnc(C(=O)N2CC[C@H]([NH2+]CCO)C2)n1 ZINC001019256380 643025102 /nfs/dbraw/zinc/02/51/02/643025102.db2.gz YLPPJINELBMZKD-ZETCQYMHSA-N 1 0 240.267 -1.994 20 0 BAADRO Cn1nnc(C(=O)N2CC[C@H]([NH2+]CCF)C2)n1 ZINC001019258766 643025848 /nfs/dbraw/zinc/02/58/48/643025848.db2.gz QPNHPTBYTSGPJJ-ZETCQYMHSA-N 1 0 242.258 -1.016 20 0 BAADRO O=C([C@H]1CNC(=O)N1)N1CC[C@H]([NH2+]CCF)C1 ZINC001019308978 643027794 /nfs/dbraw/zinc/02/77/94/643027794.db2.gz MQINRGAZKYDWFO-JGVFFNPUSA-N 1 0 244.270 -1.172 20 0 BAADRO O=C([C@@H]1CNC(=O)N1)N1CC[C@H]([NH2+]CCF)C1 ZINC001019308979 643028630 /nfs/dbraw/zinc/02/86/30/643028630.db2.gz MQINRGAZKYDWFO-YUMQZZPRSA-N 1 0 244.270 -1.172 20 0 BAADRO O=C([C@H]1CNC(=O)N1)N1CC[C@H]([NH2+]CCO)C1 ZINC001019309224 643027682 /nfs/dbraw/zinc/02/76/82/643027682.db2.gz SUFFCRGXRUEVAX-JGVFFNPUSA-N 1 0 242.279 -2.149 20 0 BAADRO O=C([C@@H]1CNC(=O)N1)N1CC[C@H]([NH2+]CCO)C1 ZINC001019309225 643028929 /nfs/dbraw/zinc/02/89/29/643028929.db2.gz SUFFCRGXRUEVAX-YUMQZZPRSA-N 1 0 242.279 -2.149 20 0 BAADRO CC[NH2+][C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001019309250 643026961 /nfs/dbraw/zinc/02/69/61/643026961.db2.gz UJPLYPTYTAJSGD-JGVFFNPUSA-N 1 0 226.280 -1.122 20 0 BAADRO CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001019309251 643028377 /nfs/dbraw/zinc/02/83/77/643028377.db2.gz UJPLYPTYTAJSGD-YUMQZZPRSA-N 1 0 226.280 -1.122 20 0 BAADRO NC(=O)C(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001019313245 643026832 /nfs/dbraw/zinc/02/68/32/643026832.db2.gz KSLWKABTOQPUAL-BQBZGAKWSA-N 1 0 240.263 -2.449 20 0 BAADRO NC(=O)C(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001019313246 643027437 /nfs/dbraw/zinc/02/74/37/643027437.db2.gz KSLWKABTOQPUAL-NKWVEPMBSA-N 1 0 240.263 -2.449 20 0 BAADRO NC(=O)C(=O)N1CC[C@H]([NH2+]CCF)C1 ZINC001019313292 643028516 /nfs/dbraw/zinc/02/85/16/643028516.db2.gz NIZGBVCBBVJITQ-LURJTMIESA-N 1 0 203.217 -1.368 20 0 BAADRO NC(=O)C[NH2+][C@H]1CCN(C(=O)C(N)=O)C1 ZINC001019313411 643027696 /nfs/dbraw/zinc/02/76/96/643027696.db2.gz SNOQMEHIRHWVDC-YFKPBYRVSA-N 1 0 214.225 -2.853 20 0 BAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)C(N)=O)C1)C(N)=O ZINC001019313520 643026914 /nfs/dbraw/zinc/02/69/14/643026914.db2.gz YLVMWYJNEYQXAC-RITPCOANSA-N 1 0 228.252 -2.464 20 0 BAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)C(N)=O)C1)C(N)=O ZINC001019313521 643028286 /nfs/dbraw/zinc/02/82/86/643028286.db2.gz YLVMWYJNEYQXAC-WDSKDSINSA-N 1 0 228.252 -2.464 20 0 BAADRO C[C@H](O)C[NH2+][C@H]1CCN(C(=O)C(N)=O)C1 ZINC001019314657 633170024 /nfs/dbraw/zinc/17/00/24/633170024.db2.gz XPYUZAKXZRGUOQ-BQBZGAKWSA-N 1 0 215.253 -1.957 20 0 BAADRO C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C(N)=O)C1 ZINC001019314658 633170489 /nfs/dbraw/zinc/17/04/89/633170489.db2.gz XPYUZAKXZRGUOQ-RQJHMYQMSA-N 1 0 215.253 -1.957 20 0 BAADRO NC(=O)C1(C(=O)N2CC[C@H]([NH2+]CCO)C2)CC1 ZINC001019315431 643028053 /nfs/dbraw/zinc/02/80/53/643028053.db2.gz BVZGTQQMTISQCC-QMMMGPOBSA-N 1 0 241.291 -1.565 20 0 BAADRO NC(=O)C(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019315447 643027194 /nfs/dbraw/zinc/02/71/94/643027194.db2.gz CJHKESPLLYRZSU-LURJTMIESA-N 1 0 201.226 -2.346 20 0 BAADRO NC(=O)C(=O)N1CC[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001019315521 643028955 /nfs/dbraw/zinc/02/89/55/643028955.db2.gz GOOSCSCHKWFVDW-BDAKNGLRSA-N 1 0 241.291 -1.301 20 0 BAADRO NC(=O)C(=O)N1CC[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001019315522 643028328 /nfs/dbraw/zinc/02/83/28/643028328.db2.gz GOOSCSCHKWFVDW-IUCAKERBSA-N 1 0 241.291 -1.301 20 0 BAADRO CC[C@H]([NH2+][C@H]1CCN(C(=O)C(N)=O)C1)C(N)=O ZINC001019315739 633170144 /nfs/dbraw/zinc/17/01/44/633170144.db2.gz QDERZXCBVGVTKT-BQBZGAKWSA-N 1 0 242.279 -2.074 20 0 BAADRO CC[C@@H]([NH2+][C@H]1CCN(C(=O)C(N)=O)C1)C(N)=O ZINC001019315740 633169594 /nfs/dbraw/zinc/16/95/94/633169594.db2.gz QDERZXCBVGVTKT-NKWVEPMBSA-N 1 0 242.279 -2.074 20 0 BAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019391797 643030284 /nfs/dbraw/zinc/03/02/84/643030284.db2.gz MQSUAPIJMWTERC-YIZRAAEISA-N 1 0 241.291 -1.709 20 0 BAADRO NC(=O)C[NH2+][C@H]1CCN(C(=O)c2ccnnc2)C1 ZINC001019426636 643033012 /nfs/dbraw/zinc/03/30/12/643033012.db2.gz INKVWHYLQBCIDV-VIFPVBQESA-N 1 0 249.274 -1.234 20 0 BAADRO Cn1ncc(C(=O)N2CC[C@H]([NH2+]CCO)C2)n1 ZINC001019509735 643034903 /nfs/dbraw/zinc/03/49/03/643034903.db2.gz LIMYZIHAXMVBKJ-QMMMGPOBSA-N 1 0 239.279 -1.389 20 0 BAADRO C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001019533145 643036485 /nfs/dbraw/zinc/03/64/85/643036485.db2.gz GMEQFFJYDJMXSD-SFYZADRCSA-N 1 0 239.279 -1.010 20 0 BAADRO C[C@H](O)C[NH2+][C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001019533146 643036940 /nfs/dbraw/zinc/03/69/40/643036940.db2.gz GMEQFFJYDJMXSD-YUMQZZPRSA-N 1 0 239.279 -1.010 20 0 BAADRO NC(=O)C[NH2+][C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001019533319 643037489 /nfs/dbraw/zinc/03/74/89/643037489.db2.gz MXLNDAIGVPZGFE-LURJTMIESA-N 1 0 238.251 -1.906 20 0 BAADRO O=C(c1nc[nH]n1)N1CC[C@H]([NH2+]CCO)C1 ZINC001019534873 643037641 /nfs/dbraw/zinc/03/76/41/643037641.db2.gz USEBRBRIQPBLFP-ZETCQYMHSA-N 1 0 225.252 -1.399 20 0 BAADRO NC(=O)C[NH2+][C@H]1CCN(C(=O)c2ccncn2)C1 ZINC001019536291 643035772 /nfs/dbraw/zinc/03/57/72/643035772.db2.gz GTTUZCANBQDUEP-QMMMGPOBSA-N 1 0 249.274 -1.234 20 0 BAADRO NC(=O)C[NH2+][C@H]1CCN(C(=O)c2cnon2)C1 ZINC001019540130 643035730 /nfs/dbraw/zinc/03/57/30/643035730.db2.gz GMDAZJSUBRIIAJ-LURJTMIESA-N 1 0 239.235 -1.641 20 0 BAADRO O=C(c1cnon1)N1CC[C@H]([NH2+]CCO)C1 ZINC001019541999 643037122 /nfs/dbraw/zinc/03/71/22/643037122.db2.gz PWQDPTFFRARPBW-ZETCQYMHSA-N 1 0 226.236 -1.134 20 0 BAADRO NC(=O)C[NH2+][C@H]1CCN(C(=O)c2ncccn2)C1 ZINC001019546423 643036882 /nfs/dbraw/zinc/03/68/82/643036882.db2.gz LTTFKELUFYMEQA-QMMMGPOBSA-N 1 0 249.274 -1.234 20 0 BAADRO NC(=O)C[NH2+][C@H]1CCN(C(=O)c2cccnn2)C1 ZINC001019549199 643040613 /nfs/dbraw/zinc/04/06/13/643040613.db2.gz CNMWGIAYZKDCMH-QMMMGPOBSA-N 1 0 249.274 -1.234 20 0 BAADRO O=C(Cc1nnc[nH]1)N1CC[C@H]([NH2+]CCO)C1 ZINC001019629757 643038404 /nfs/dbraw/zinc/03/84/04/643038404.db2.gz QZLQHWAKVGKSSV-QMMMGPOBSA-N 1 0 239.279 -1.470 20 0 BAADRO O=C([C@@H]1CCC(=O)N1)N1CC[C@H]([NH2+]CCO)C1 ZINC001019678396 643041101 /nfs/dbraw/zinc/04/11/01/643041101.db2.gz FJGOOAXSFFVNKM-IUCAKERBSA-N 1 0 241.291 -1.552 20 0 BAADRO CC(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001019903500 643043368 /nfs/dbraw/zinc/04/33/68/643043368.db2.gz CVGZOESTFQFVBY-ZKCHVHJHSA-N 1 0 239.279 -1.135 20 0 BAADRO NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C(F)F)C1 ZINC001019912614 633798878 /nfs/dbraw/zinc/79/88/78/633798878.db2.gz IRUFDDPSAPMHTO-URHBZAFASA-N 1 0 221.207 -1.026 20 0 BAADRO NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2cnccn2)C1 ZINC001019949786 643047835 /nfs/dbraw/zinc/04/78/35/643047835.db2.gz YZCSXCSEGMRBSW-ZKCHVHJHSA-N 1 0 249.274 -1.188 20 0 BAADRO NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001019972168 643049316 /nfs/dbraw/zinc/04/93/16/643049316.db2.gz FXPZGCQREQMKEL-CIUDSAMLSA-N 1 0 241.291 -1.113 20 0 BAADRO NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC001019972169 643047811 /nfs/dbraw/zinc/04/78/11/643047811.db2.gz FXPZGCQREQMKEL-IWSPIJDZSA-N 1 0 241.291 -1.113 20 0 BAADRO O=C(Cn1cnnn1)N[C@H]1C[C@H]([NH2+]CCF)C1 ZINC001019977535 633801407 /nfs/dbraw/zinc/80/14/07/633801407.db2.gz VIYOSORJQODYSR-ZKCHVHJHSA-N 1 0 242.258 -1.121 20 0 BAADRO CC[NH2+][C@H]1C[C@H](NC(=O)Cn2cnnn2)C1 ZINC001019977893 643051105 /nfs/dbraw/zinc/05/11/05/643051105.db2.gz BVEXPEHSKZXFJE-ZKCHVHJHSA-N 1 0 224.268 -1.070 20 0 BAADRO O=C(Cn1cnnn1)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001019978597 633800913 /nfs/dbraw/zinc/80/09/13/633800913.db2.gz QXTMWPBUIGEJJR-ZKCHVHJHSA-N 1 0 240.267 -2.098 20 0 BAADRO O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@@H]1COCCO1 ZINC001019998424 633804260 /nfs/dbraw/zinc/80/42/60/633804260.db2.gz JYAWWXIUIKSTNT-GUBZILKMSA-N 1 0 244.291 -1.369 20 0 BAADRO O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@H]1COCCO1 ZINC001019998425 633804770 /nfs/dbraw/zinc/80/47/70/633804770.db2.gz JYAWWXIUIKSTNT-OPRDCNLKSA-N 1 0 244.291 -1.369 20 0 BAADRO NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001019999107 710673711 /nfs/dbraw/zinc/67/37/11/710673711.db2.gz AOYGADWGZVKMNN-LJGSYFOKSA-N 1 0 237.263 -1.255 20 0 BAADRO NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001020004610 710673504 /nfs/dbraw/zinc/67/35/04/710673504.db2.gz RCYBRJCLZBETST-ZKCHVHJHSA-N 1 0 237.263 -1.255 20 0 BAADRO NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001020016454 633807408 /nfs/dbraw/zinc/80/74/08/633807408.db2.gz ZBXMXGXHSAAMBP-CIUDSAMLSA-N 1 0 241.291 -1.255 20 0 BAADRO NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001020016455 633806659 /nfs/dbraw/zinc/80/66/59/633806659.db2.gz ZBXMXGXHSAAMBP-IWSPIJDZSA-N 1 0 241.291 -1.255 20 0 BAADRO O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@H]1CCC(=O)N1 ZINC001020026870 643052805 /nfs/dbraw/zinc/05/28/05/643052805.db2.gz CNJNXIAZCFGCMJ-IWSPIJDZSA-N 1 0 241.291 -1.506 20 0 BAADRO NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2cncnc2)C1 ZINC001020094087 633809247 /nfs/dbraw/zinc/80/92/47/633809247.db2.gz YEYNWYUDBHODRF-KYZUINATSA-N 1 0 249.274 -1.188 20 0 BAADRO O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@H]1COC(=O)N1 ZINC001020115104 643058414 /nfs/dbraw/zinc/05/84/14/643058414.db2.gz OOZKTFOZZRPTPE-BWZBUEFSSA-N 1 0 243.263 -1.676 20 0 BAADRO O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@@H]1COC(=O)N1 ZINC001020115105 643059042 /nfs/dbraw/zinc/05/90/42/643059042.db2.gz OOZKTFOZZRPTPE-FXQIFTODSA-N 1 0 243.263 -1.676 20 0 BAADRO Cn1nncc1C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020119538 643058244 /nfs/dbraw/zinc/05/82/44/643058244.db2.gz KDYPQVJUXWJEFH-ZKCHVHJHSA-N 1 0 239.279 -1.342 20 0 BAADRO Cn1cc(C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)nn1 ZINC001020127394 643061187 /nfs/dbraw/zinc/06/11/87/643061187.db2.gz HJVAOAFMKNSACU-ZKCHVHJHSA-N 1 0 239.279 -1.342 20 0 BAADRO Cn1cnc(C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)n1 ZINC001020128377 643060017 /nfs/dbraw/zinc/06/00/17/643060017.db2.gz SIULBMILWAKNHR-ZKCHVHJHSA-N 1 0 239.279 -1.342 20 0 BAADRO NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001020133848 643061242 /nfs/dbraw/zinc/06/12/42/643061242.db2.gz FJWZREAONMDUGM-LJGSYFOKSA-N 1 0 237.263 -1.255 20 0 BAADRO O=C(Cn1ncnn1)N[C@H]1C[C@H]([NH2+]CCF)C1 ZINC001020157583 643060377 /nfs/dbraw/zinc/06/03/77/643060377.db2.gz AKEWKZXWXUWEKD-ZKCHVHJHSA-N 1 0 242.258 -1.121 20 0 BAADRO O=C(Cn1ncnn1)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020159306 643061265 /nfs/dbraw/zinc/06/12/65/643061265.db2.gz LILGDCAUOTYLMI-ZKCHVHJHSA-N 1 0 240.267 -2.098 20 0 BAADRO CC[NH2+][C@H]1C[C@H](NC(=O)Cn2ncnn2)C1 ZINC001020159764 643061502 /nfs/dbraw/zinc/06/15/02/643061502.db2.gz RCGYJRWSCFDPMF-ZKCHVHJHSA-N 1 0 224.268 -1.070 20 0 BAADRO O=C(Cn1nccn1)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020198622 643062629 /nfs/dbraw/zinc/06/26/29/643062629.db2.gz WBECVOUCPXCKQQ-KYZUINATSA-N 1 0 239.279 -1.493 20 0 BAADRO NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001020342859 643067894 /nfs/dbraw/zinc/06/78/94/643067894.db2.gz XXVAZGLIYKIYCK-IZLXSQMJSA-N 1 0 238.251 -1.860 20 0 BAADRO O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)c1cn[nH]n1 ZINC001020343059 643067773 /nfs/dbraw/zinc/06/77/73/643067773.db2.gz GWYLWXQBMYPIJJ-LJGSYFOKSA-N 1 0 225.252 -1.353 20 0 BAADRO Cc1nn[nH]c1C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020458194 643140645 /nfs/dbraw/zinc/14/06/45/643140645.db2.gz HADFFCNCBJOTFK-ZKCHVHJHSA-N 1 0 239.279 -1.044 20 0 BAADRO O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@H]1CCNC1=O ZINC001020468832 643145308 /nfs/dbraw/zinc/14/53/08/643145308.db2.gz BRELYPCJBUYCCI-CIUDSAMLSA-N 1 0 241.291 -1.648 20 0 BAADRO O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@@H]1CCNC1=O ZINC001020468833 643144582 /nfs/dbraw/zinc/14/45/82/643144582.db2.gz BRELYPCJBUYCCI-IWSPIJDZSA-N 1 0 241.291 -1.648 20 0 BAADRO Cn1nnc(C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)n1 ZINC001020478683 643153714 /nfs/dbraw/zinc/15/37/14/643153714.db2.gz WOCUBIPXRUUHAT-LJGSYFOKSA-N 1 0 240.267 -1.947 20 0 BAADRO O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@H]1CNC(=O)N1 ZINC001020531409 643172249 /nfs/dbraw/zinc/17/22/49/643172249.db2.gz ROPWBUNOVQJDPJ-BWZBUEFSSA-N 1 0 242.279 -2.103 20 0 BAADRO O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@@H]1CNC(=O)N1 ZINC001020531410 643172305 /nfs/dbraw/zinc/17/23/05/643172305.db2.gz ROPWBUNOVQJDPJ-FXQIFTODSA-N 1 0 242.279 -2.103 20 0 BAADRO O=C(N[C@H]1C[C@H]([NH2+]CCF)C1)[C@H]1CNC(=O)N1 ZINC001020531411 643171031 /nfs/dbraw/zinc/17/10/31/643171031.db2.gz RPXAUWHGKDDYRU-BWZBUEFSSA-N 1 0 244.270 -1.126 20 0 BAADRO O=C(N[C@H]1C[C@H]([NH2+]CCF)C1)[C@@H]1CNC(=O)N1 ZINC001020531412 643171642 /nfs/dbraw/zinc/17/16/42/643171642.db2.gz RPXAUWHGKDDYRU-FXQIFTODSA-N 1 0 244.270 -1.126 20 0 BAADRO CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001020531644 643171300 /nfs/dbraw/zinc/17/13/00/643171300.db2.gz YBXCRMOFSLYWBI-BWZBUEFSSA-N 1 0 226.280 -1.076 20 0 BAADRO CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001020531645 643172227 /nfs/dbraw/zinc/17/22/27/643172227.db2.gz YBXCRMOFSLYWBI-FXQIFTODSA-N 1 0 226.280 -1.076 20 0 BAADRO NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C(N)=O)C1 ZINC001020533800 643171441 /nfs/dbraw/zinc/17/14/41/643171441.db2.gz HRWBKVPROKOKGU-URHBZAFASA-N 1 0 214.225 -2.806 20 0 BAADRO NC(=O)C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001020534056 643171811 /nfs/dbraw/zinc/17/18/11/643171811.db2.gz UTTXHIIVNWGUOO-ACZMJKKPSA-N 1 0 240.263 -2.403 20 0 BAADRO NC(=O)C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001020534057 643172373 /nfs/dbraw/zinc/17/23/73/643172373.db2.gz UTTXHIIVNWGUOO-FSDSQADBSA-N 1 0 240.263 -2.403 20 0 BAADRO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C(N)=O)C1)C(N)=O ZINC001020534106 643172358 /nfs/dbraw/zinc/17/23/58/643172358.db2.gz WLBWBTAIULWDDM-HSUXUTPPSA-N 1 0 228.252 -2.418 20 0 BAADRO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C(N)=O)C1)C(N)=O ZINC001020534107 643172105 /nfs/dbraw/zinc/17/21/05/643172105.db2.gz WLBWBTAIULWDDM-ZLUOBGJFSA-N 1 0 228.252 -2.418 20 0 BAADRO NC(=O)C(=O)N[C@H]1C[C@H]([NH2+]CCF)C1 ZINC001020534170 643172116 /nfs/dbraw/zinc/17/21/16/643172116.db2.gz ZQELVXSEKJQQAF-IZLXSQMJSA-N 1 0 203.217 -1.322 20 0 BAADRO NC(=O)C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001020534832 643171171 /nfs/dbraw/zinc/17/11/71/643171171.db2.gz MQBJBFZPQLAVMR-CIUDSAMLSA-N 1 0 241.291 -1.255 20 0 BAADRO NC(=O)C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001020534833 643172255 /nfs/dbraw/zinc/17/22/55/643172255.db2.gz MQBJBFZPQLAVMR-IWSPIJDZSA-N 1 0 241.291 -1.255 20 0 BAADRO C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C(N)=O)C1 ZINC001020535053 643172286 /nfs/dbraw/zinc/17/22/86/643172286.db2.gz WOIUCFATWAHDQI-ACZMJKKPSA-N 1 0 215.253 -1.911 20 0 BAADRO C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C(N)=O)C1 ZINC001020535054 643172176 /nfs/dbraw/zinc/17/21/76/643172176.db2.gz WOIUCFATWAHDQI-FSDSQADBSA-N 1 0 215.253 -1.911 20 0 BAADRO CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)C(N)=O)C1)C(N)=O ZINC001020535106 643172422 /nfs/dbraw/zinc/17/24/22/643172422.db2.gz YSMUABFELCSJMI-ACZMJKKPSA-N 1 0 242.279 -2.028 20 0 BAADRO CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C(N)=O)C1)C(N)=O ZINC001020535107 643171906 /nfs/dbraw/zinc/17/19/06/643171906.db2.gz YSMUABFELCSJMI-FSDSQADBSA-N 1 0 242.279 -2.028 20 0 BAADRO NC(=O)C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020536273 643171529 /nfs/dbraw/zinc/17/15/29/643171529.db2.gz HYBZFIGMZQHLPO-IZLXSQMJSA-N 1 0 201.226 -2.299 20 0 BAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020598169 643225073 /nfs/dbraw/zinc/22/50/73/643225073.db2.gz IQBPFACZQPGFRU-BGZDPUMWSA-N 1 0 241.291 -1.663 20 0 BAADRO NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2ccnnc2)C1 ZINC001020624732 643240427 /nfs/dbraw/zinc/24/04/27/643240427.db2.gz KFBPYJHNNRUHSQ-KYZUINATSA-N 1 0 249.274 -1.188 20 0 BAADRO Cn1ncc(C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)n1 ZINC001020744043 643288199 /nfs/dbraw/zinc/28/81/99/643288199.db2.gz OUARBNJKFFFZEU-ZKCHVHJHSA-N 1 0 239.279 -1.342 20 0 BAADRO O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)c1nnc[nH]1 ZINC001020777399 643291576 /nfs/dbraw/zinc/29/15/76/643291576.db2.gz VPTJDXYDGSIUOE-LJGSYFOKSA-N 1 0 225.252 -1.353 20 0 BAADRO NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2ccncn2)C1 ZINC001020779225 643293354 /nfs/dbraw/zinc/29/33/54/643293354.db2.gz FGRLGRSOSWOXPB-ZKCHVHJHSA-N 1 0 249.274 -1.188 20 0 BAADRO NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001020782745 643294732 /nfs/dbraw/zinc/29/47/32/643294732.db2.gz YVJZOJTVINPFCE-IZLXSQMJSA-N 1 0 238.251 -1.860 20 0 BAADRO O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)c1cnon1 ZINC001020785308 643294453 /nfs/dbraw/zinc/29/44/53/643294453.db2.gz CMIYMZLEXYNNNP-LJGSYFOKSA-N 1 0 226.236 -1.088 20 0 BAADRO NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2cnon2)C1 ZINC001020786228 643295523 /nfs/dbraw/zinc/29/55/23/643295523.db2.gz TXHMWSGDAJZFRA-IZLXSQMJSA-N 1 0 239.235 -1.595 20 0 BAADRO NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2ncccn2)C1 ZINC001020794692 643297383 /nfs/dbraw/zinc/29/73/83/643297383.db2.gz NCCJLSYYPGHRGX-ZKCHVHJHSA-N 1 0 249.274 -1.188 20 0 BAADRO NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2cccnn2)C1 ZINC001020798474 643297309 /nfs/dbraw/zinc/29/73/09/643297309.db2.gz XGJOOMCUWRWBEZ-ZKCHVHJHSA-N 1 0 249.274 -1.188 20 0 BAADRO O=C(Cc1nc[nH]n1)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020907333 643333835 /nfs/dbraw/zinc/33/38/35/643333835.db2.gz ZTVONOLRVNBFIF-ZKCHVHJHSA-N 1 0 239.279 -1.424 20 0 BAADRO O=C(Cn1cncn1)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001021022896 643388129 /nfs/dbraw/zinc/38/81/29/643388129.db2.gz XSMROIRJQALOOA-KYZUINATSA-N 1 0 239.279 -1.493 20 0 BAADRO NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001021367782 643481028 /nfs/dbraw/zinc/48/10/28/643481028.db2.gz XFWJBPAJHNFUOM-CBLAIPOGSA-N 1 0 241.291 -1.424 20 0 BAADRO CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001021747811 641186597 /nfs/dbraw/zinc/18/65/97/641186597.db2.gz CVGZOESTFQFVBY-OCAPTIKFSA-N 1 0 239.279 -1.135 20 0 BAADRO NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C(F)F)C1 ZINC001021756671 641199272 /nfs/dbraw/zinc/19/92/72/641199272.db2.gz IRUFDDPSAPMHTO-SYDPRGILSA-N 1 0 221.207 -1.026 20 0 BAADRO NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cnccn2)C1 ZINC001021786095 642331240 /nfs/dbraw/zinc/33/12/40/642331240.db2.gz YZCSXCSEGMRBSW-OCAPTIKFSA-N 1 0 249.274 -1.188 20 0 BAADRO NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCO2)C1 ZINC001021810692 642357136 /nfs/dbraw/zinc/35/71/36/642357136.db2.gz FXPZGCQREQMKEL-HRDYMLBCSA-N 1 0 241.291 -1.113 20 0 BAADRO NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001021810696 642357396 /nfs/dbraw/zinc/35/73/96/642357396.db2.gz FXPZGCQREQMKEL-YIZRAAEISA-N 1 0 241.291 -1.113 20 0 BAADRO CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001021816053 642363161 /nfs/dbraw/zinc/36/31/61/642363161.db2.gz BVEXPEHSKZXFJE-OCAPTIKFSA-N 1 0 224.268 -1.070 20 0 BAADRO O=C(Cn1cnnn1)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001021816746 642366668 /nfs/dbraw/zinc/36/66/68/642366668.db2.gz QXTMWPBUIGEJJR-OCAPTIKFSA-N 1 0 240.267 -2.098 20 0 BAADRO O=C(Cn1cnnn1)N[C@H]1C[C@@H]([NH2+]CCF)C1 ZINC001021816980 642364412 /nfs/dbraw/zinc/36/44/12/642364412.db2.gz VIYOSORJQODYSR-OCAPTIKFSA-N 1 0 242.258 -1.121 20 0 BAADRO NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC001021853928 642407392 /nfs/dbraw/zinc/40/73/92/642407392.db2.gz AOYGADWGZVKMNN-KNVOCYPGSA-N 1 0 237.263 -1.255 20 0 BAADRO O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@@H]1COCCO1 ZINC001021854497 642405448 /nfs/dbraw/zinc/40/54/48/642405448.db2.gz JYAWWXIUIKSTNT-AEJSXWLSSA-N 1 0 244.291 -1.369 20 0 BAADRO O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@H]1COCCO1 ZINC001021854502 642406434 /nfs/dbraw/zinc/40/64/34/642406434.db2.gz JYAWWXIUIKSTNT-KXUCPTDWSA-N 1 0 244.291 -1.369 20 0 BAADRO NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC001021863738 711507397 /nfs/dbraw/zinc/50/73/97/711507397.db2.gz RCYBRJCLZBETST-OCAPTIKFSA-N 1 0 237.263 -1.255 20 0 BAADRO NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001021882660 642432616 /nfs/dbraw/zinc/43/26/16/642432616.db2.gz ZBXMXGXHSAAMBP-HLTSFMKQSA-N 1 0 241.291 -1.255 20 0 BAADRO NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCOC2)C1 ZINC001021882661 642430845 /nfs/dbraw/zinc/43/08/45/642430845.db2.gz ZBXMXGXHSAAMBP-XHNCKOQMSA-N 1 0 241.291 -1.255 20 0 BAADRO O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@H]1CCC(=O)N1 ZINC001021900478 642447524 /nfs/dbraw/zinc/44/75/24/642447524.db2.gz CNJNXIAZCFGCMJ-HRDYMLBCSA-N 1 0 241.291 -1.506 20 0 BAADRO NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cncnc2)C1 ZINC001021995070 642490223 /nfs/dbraw/zinc/49/02/23/642490223.db2.gz YEYNWYUDBHODRF-DTORHVGOSA-N 1 0 249.274 -1.188 20 0 BAADRO O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@H]1COC(=O)N1 ZINC001022027671 631259779 /nfs/dbraw/zinc/25/97/79/631259779.db2.gz OOZKTFOZZRPTPE-GJMOJQLCSA-N 1 0 243.263 -1.676 20 0 BAADRO O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@@H]1COC(=O)N1 ZINC001022027672 631259969 /nfs/dbraw/zinc/25/99/69/631259969.db2.gz OOZKTFOZZRPTPE-RNJXMRFFSA-N 1 0 243.263 -1.676 20 0 BAADRO Cn1nncc1C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022032789 631269813 /nfs/dbraw/zinc/26/98/13/631269813.db2.gz KDYPQVJUXWJEFH-OCAPTIKFSA-N 1 0 239.279 -1.342 20 0 BAADRO NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC001022056346 631316834 /nfs/dbraw/zinc/31/68/34/631316834.db2.gz FJWZREAONMDUGM-KNVOCYPGSA-N 1 0 237.263 -1.255 20 0 BAADRO O=C(Cn1ncnn1)N[C@H]1C[C@@H]([NH2+]CCF)C1 ZINC001022085753 631338544 /nfs/dbraw/zinc/33/85/44/631338544.db2.gz AKEWKZXWXUWEKD-OCAPTIKFSA-N 1 0 242.258 -1.121 20 0 BAADRO O=C(Cn1ncnn1)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022086174 631341773 /nfs/dbraw/zinc/34/17/73/631341773.db2.gz LILGDCAUOTYLMI-OCAPTIKFSA-N 1 0 240.267 -2.098 20 0 BAADRO CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001022086346 631341228 /nfs/dbraw/zinc/34/12/28/631341228.db2.gz RCGYJRWSCFDPMF-OCAPTIKFSA-N 1 0 224.268 -1.070 20 0 BAADRO O=C(Cn1nccn1)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022140535 631388836 /nfs/dbraw/zinc/38/88/36/631388836.db2.gz WBECVOUCPXCKQQ-DTORHVGOSA-N 1 0 239.279 -1.493 20 0 BAADRO NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC001022352607 631502976 /nfs/dbraw/zinc/50/29/76/631502976.db2.gz XXVAZGLIYKIYCK-OLQVQODUSA-N 1 0 238.251 -1.860 20 0 BAADRO O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)c1cn[nH]n1 ZINC001022354166 631497860 /nfs/dbraw/zinc/49/78/60/631497860.db2.gz GWYLWXQBMYPIJJ-KNVOCYPGSA-N 1 0 225.252 -1.353 20 0 BAADRO Cc1nn[nH]c1C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022526759 631660644 /nfs/dbraw/zinc/66/06/44/631660644.db2.gz HADFFCNCBJOTFK-OCAPTIKFSA-N 1 0 239.279 -1.044 20 0 BAADRO O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@@H]1CCNC1=O ZINC001022541009 631669481 /nfs/dbraw/zinc/66/94/81/631669481.db2.gz BRELYPCJBUYCCI-HRDYMLBCSA-N 1 0 241.291 -1.648 20 0 BAADRO O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@H]1CCNC1=O ZINC001022541010 631669406 /nfs/dbraw/zinc/66/94/06/631669406.db2.gz BRELYPCJBUYCCI-YIZRAAEISA-N 1 0 241.291 -1.648 20 0 BAADRO Cn1nnc(C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)n1 ZINC001022556329 631687616 /nfs/dbraw/zinc/68/76/16/631687616.db2.gz WOCUBIPXRUUHAT-KNVOCYPGSA-N 1 0 240.267 -1.947 20 0 BAADRO O=C(N[C@H]1C[C@@H]([NH2+]CCF)C1)[C@H]1CNC(=O)N1 ZINC001022628547 631735582 /nfs/dbraw/zinc/73/55/82/631735582.db2.gz RPXAUWHGKDDYRU-GJMOJQLCSA-N 1 0 244.270 -1.126 20 0 BAADRO O=C(N[C@H]1C[C@@H]([NH2+]CCF)C1)[C@@H]1CNC(=O)N1 ZINC001022628561 631735735 /nfs/dbraw/zinc/73/57/35/631735735.db2.gz RPXAUWHGKDDYRU-RNJXMRFFSA-N 1 0 244.270 -1.126 20 0 BAADRO CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001022631269 711576450 /nfs/dbraw/zinc/57/64/50/711576450.db2.gz YBXCRMOFSLYWBI-GJMOJQLCSA-N 1 0 226.280 -1.076 20 0 BAADRO CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001022631270 711576475 /nfs/dbraw/zinc/57/64/75/711576475.db2.gz YBXCRMOFSLYWBI-RNJXMRFFSA-N 1 0 226.280 -1.076 20 0 BAADRO NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C(N)=O)C1 ZINC001022635909 711576786 /nfs/dbraw/zinc/57/67/86/711576786.db2.gz HRWBKVPROKOKGU-SYDPRGILSA-N 1 0 214.225 -2.806 20 0 BAADRO NC(=O)C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001022636243 631738229 /nfs/dbraw/zinc/73/82/29/631738229.db2.gz UTTXHIIVNWGUOO-DSYKOEDSSA-N 1 0 240.263 -2.403 20 0 BAADRO NC(=O)C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001022636246 631737947 /nfs/dbraw/zinc/73/79/47/631737947.db2.gz UTTXHIIVNWGUOO-XVMARJQXSA-N 1 0 240.263 -2.403 20 0 BAADRO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C(N)=O)C1)C(N)=O ZINC001022636345 711576951 /nfs/dbraw/zinc/57/69/51/711576951.db2.gz WLBWBTAIULWDDM-HCWXCVPCSA-N 1 0 228.252 -2.418 20 0 BAADRO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C(N)=O)C1)C(N)=O ZINC001022636346 711576841 /nfs/dbraw/zinc/57/68/41/711576841.db2.gz WLBWBTAIULWDDM-PBXRRBTRSA-N 1 0 228.252 -2.418 20 0 BAADRO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C(N)=O)C1)C(N)=O ZINC001022636555 711577024 /nfs/dbraw/zinc/57/70/24/711577024.db2.gz YSMUABFELCSJMI-DSYKOEDSSA-N 1 0 242.279 -2.028 20 0 BAADRO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C(N)=O)C1)C(N)=O ZINC001022636556 711576884 /nfs/dbraw/zinc/57/68/84/711576884.db2.gz YSMUABFELCSJMI-XVMARJQXSA-N 1 0 242.279 -2.028 20 0 BAADRO NC(=O)C(=O)N[C@H]1C[C@@H]([NH2+]CCF)C1 ZINC001022636580 711576870 /nfs/dbraw/zinc/57/68/70/711576870.db2.gz ZQELVXSEKJQQAF-OLQVQODUSA-N 1 0 203.217 -1.322 20 0 BAADRO NC(=O)C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022637243 711577287 /nfs/dbraw/zinc/57/72/87/711577287.db2.gz HYBZFIGMZQHLPO-OLQVQODUSA-N 1 0 201.226 -2.299 20 0 BAADRO NC(=O)C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001022637471 711577277 /nfs/dbraw/zinc/57/72/77/711577277.db2.gz MQBJBFZPQLAVMR-HLTSFMKQSA-N 1 0 241.291 -1.255 20 0 BAADRO NC(=O)C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001022637472 711577263 /nfs/dbraw/zinc/57/72/63/711577263.db2.gz MQBJBFZPQLAVMR-XHNCKOQMSA-N 1 0 241.291 -1.255 20 0 BAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022726783 631830797 /nfs/dbraw/zinc/83/07/97/631830797.db2.gz IQBPFACZQPGFRU-XAVMHZPKSA-N 1 0 241.291 -1.663 20 0 BAADRO NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccnnc2)C1 ZINC001022762034 631892725 /nfs/dbraw/zinc/89/27/25/631892725.db2.gz KFBPYJHNNRUHSQ-DTORHVGOSA-N 1 0 249.274 -1.188 20 0 BAADRO Cn1ncc(C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)n1 ZINC001022850502 631989143 /nfs/dbraw/zinc/98/91/43/631989143.db2.gz OUARBNJKFFFZEU-OCAPTIKFSA-N 1 0 239.279 -1.342 20 0 BAADRO O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)c1nnc[nH]1 ZINC001022868154 632012130 /nfs/dbraw/zinc/01/21/30/632012130.db2.gz VPTJDXYDGSIUOE-KNVOCYPGSA-N 1 0 225.252 -1.353 20 0 BAADRO NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2nnc[nH]2)C1 ZINC001022869346 632014696 /nfs/dbraw/zinc/01/46/96/632014696.db2.gz YVJZOJTVINPFCE-OLQVQODUSA-N 1 0 238.251 -1.860 20 0 BAADRO NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccncn2)C1 ZINC001022870040 632014298 /nfs/dbraw/zinc/01/42/98/632014298.db2.gz FGRLGRSOSWOXPB-OCAPTIKFSA-N 1 0 249.274 -1.188 20 0 BAADRO NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cnon2)C1 ZINC001022871449 632015554 /nfs/dbraw/zinc/01/55/54/632015554.db2.gz TXHMWSGDAJZFRA-OLQVQODUSA-N 1 0 239.235 -1.595 20 0 BAADRO O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)c1cnon1 ZINC001022872200 632017944 /nfs/dbraw/zinc/01/79/44/632017944.db2.gz CMIYMZLEXYNNNP-KNVOCYPGSA-N 1 0 226.236 -1.088 20 0 BAADRO NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2ncccn2)C1 ZINC001022876946 711600753 /nfs/dbraw/zinc/60/07/53/711600753.db2.gz NCCJLSYYPGHRGX-OCAPTIKFSA-N 1 0 249.274 -1.188 20 0 BAADRO NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cccnn2)C1 ZINC001022878277 632021570 /nfs/dbraw/zinc/02/15/70/632021570.db2.gz XGJOOMCUWRWBEZ-OCAPTIKFSA-N 1 0 249.274 -1.188 20 0 BAADRO O=C(Cc1nc[nH]n1)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022956297 632080565 /nfs/dbraw/zinc/08/05/65/632080565.db2.gz ZTVONOLRVNBFIF-OCAPTIKFSA-N 1 0 239.279 -1.424 20 0 BAADRO O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@@H]1CCC(=O)N1 ZINC001022994829 632098387 /nfs/dbraw/zinc/09/83/87/632098387.db2.gz CNJNXIAZCFGCMJ-YIZRAAEISA-N 1 0 241.291 -1.506 20 0 BAADRO O=C(Cn1cncn1)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001023061909 632120772 /nfs/dbraw/zinc/12/07/72/632120772.db2.gz XSMROIRJQALOOA-DTORHVGOSA-N 1 0 239.279 -1.493 20 0 BAADRO NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH2+]CCO)[C@H]2C1 ZINC001026348848 634008166 /nfs/dbraw/zinc/00/81/66/634008166.db2.gz SBXNCAXIPDZZLS-CIUDSAMLSA-N 1 0 241.291 -1.709 20 0 BAADRO NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH2+]CCO)[C@@H]2C1 ZINC001026348849 634007500 /nfs/dbraw/zinc/00/75/00/634007500.db2.gz SBXNCAXIPDZZLS-DJLDLDEBSA-N 1 0 241.291 -1.709 20 0 BAADRO NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH2+]CCO)[C@H]2C1 ZINC001026348850 634007411 /nfs/dbraw/zinc/00/74/11/634007411.db2.gz SBXNCAXIPDZZLS-XHNCKOQMSA-N 1 0 241.291 -1.709 20 0 BAADRO NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH2+]CCO)[C@@H]2C1 ZINC001026348851 634008322 /nfs/dbraw/zinc/00/83/22/634008322.db2.gz SBXNCAXIPDZZLS-YIZRAAEISA-N 1 0 241.291 -1.709 20 0 BAADRO NC(=O)C[NH2+]C1CCC(NC(=O)C(N)=O)CC1 ZINC001026551277 634209845 /nfs/dbraw/zinc/20/98/45/634209845.db2.gz OXUOZNJGYPXYPJ-UHFFFAOYSA-N 1 0 242.279 -2.026 20 0 BAADRO NC(=O)C(=O)NC1CCC([NH2+]CCO)CC1 ZINC001026552542 634209141 /nfs/dbraw/zinc/20/91/41/634209141.db2.gz RSNJBUQNJDYJLE-UHFFFAOYSA-N 1 0 229.280 -1.519 20 0 BAADRO C[C@@H](O)C[NH2+]C1CCC(NC(=O)C(N)=O)CC1 ZINC001026552698 634209626 /nfs/dbraw/zinc/20/96/26/634209626.db2.gz ZCUSTPHZPQDWCB-AFPNSQJFSA-N 1 0 243.307 -1.131 20 0 BAADRO C[C@H](O)C[NH2+]C1CCC(NC(=O)C(N)=O)CC1 ZINC001026552699 634208624 /nfs/dbraw/zinc/20/86/24/634208624.db2.gz ZCUSTPHZPQDWCB-UEJVZZJDSA-N 1 0 243.307 -1.131 20 0 BAADRO C[N@H+](CCO)[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001027341881 634485901 /nfs/dbraw/zinc/48/59/01/634485901.db2.gz VKHKWDPKTSCLFT-SECBINFHSA-N 1 0 243.307 -1.223 20 0 BAADRO C[N@H+](CCO)[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001027341882 634485445 /nfs/dbraw/zinc/48/54/45/634485445.db2.gz VKHKWDPKTSCLFT-VIFPVBQESA-N 1 0 243.307 -1.223 20 0 BAADRO C[C@@H](O)C[N@H+](C)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027553379 634559254 /nfs/dbraw/zinc/55/92/54/634559254.db2.gz WOUXAGWYPKNIDJ-BDAKNGLRSA-N 1 0 243.307 -1.225 20 0 BAADRO C[C@H](O)C[N@H+](C)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027553380 634560025 /nfs/dbraw/zinc/56/00/25/634560025.db2.gz WOUXAGWYPKNIDJ-DTWKUNHWSA-N 1 0 243.307 -1.225 20 0 BAADRO C[C@H](O)C[N@H+](C)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027553381 634560657 /nfs/dbraw/zinc/56/06/57/634560657.db2.gz WOUXAGWYPKNIDJ-IUCAKERBSA-N 1 0 243.307 -1.225 20 0 BAADRO C[C@@H](O)C[N@H+](C)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027553382 634560075 /nfs/dbraw/zinc/56/00/75/634560075.db2.gz WOUXAGWYPKNIDJ-RKDXNWHRSA-N 1 0 243.307 -1.225 20 0 BAADRO C[N@H+](CCO)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027553912 634560723 /nfs/dbraw/zinc/56/07/23/634560723.db2.gz GPQWRHNMKSETIJ-MRVPVSSYSA-N 1 0 229.280 -1.613 20 0 BAADRO C[N@H+](CCO)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027553913 634559960 /nfs/dbraw/zinc/55/99/60/634559960.db2.gz GPQWRHNMKSETIJ-QMMMGPOBSA-N 1 0 229.280 -1.613 20 0 BAADRO O=C(NC[C@H]1CCC[N@H+]1CCO)c1cn[nH]n1 ZINC001027991928 635284899 /nfs/dbraw/zinc/28/48/99/635284899.db2.gz LPNPQIQGLSHPJB-MRVPVSSYSA-N 1 0 239.279 -1.009 20 0 BAADRO O=C(NC[C@@H]1CCC[N@H+]1CCO)c1cn[nH]n1 ZINC001027991929 635285514 /nfs/dbraw/zinc/28/55/14/635285514.db2.gz LPNPQIQGLSHPJB-QMMMGPOBSA-N 1 0 239.279 -1.009 20 0 BAADRO O=C(NC[C@H]1CCC[N@H+]1CCO)c1nnc[nH]1 ZINC001028212041 635479518 /nfs/dbraw/zinc/47/95/18/635479518.db2.gz AZJGAIQIAWIBIG-MRVPVSSYSA-N 1 0 239.279 -1.009 20 0 BAADRO O=C(NC[C@@H]1CCC[N@H+]1CCO)c1nnc[nH]1 ZINC001028212042 635479948 /nfs/dbraw/zinc/47/99/48/635479948.db2.gz AZJGAIQIAWIBIG-QMMMGPOBSA-N 1 0 239.279 -1.009 20 0 BAADRO O=C(NC[C@H]1CC[N@@H+](CCO)C1)c1cn[nH]n1 ZINC001028653447 635772105 /nfs/dbraw/zinc/77/21/05/635772105.db2.gz NOXSMTCOSKJYSL-MRVPVSSYSA-N 1 0 239.279 -1.151 20 0 BAADRO O=C(NC[C@@H]1CC[N@@H+](CCO)C1)c1cn[nH]n1 ZINC001028653449 635771432 /nfs/dbraw/zinc/77/14/32/635771432.db2.gz NOXSMTCOSKJYSL-QMMMGPOBSA-N 1 0 239.279 -1.151 20 0 BAADRO NC(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001029246596 636036477 /nfs/dbraw/zinc/03/64/77/636036477.db2.gz KFNRZPQFKPUUIN-DTORHVGOSA-N 1 0 241.291 -1.471 20 0 BAADRO NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCO ZINC001029450079 636169942 /nfs/dbraw/zinc/16/99/42/636169942.db2.gz UHJRKNVFCUWDCF-DTORHVGOSA-N 1 0 241.291 -1.471 20 0 BAADRO O=C(CN1CCCC1=O)NC1CN(CCO)C1 ZINC001030090556 640587346 /nfs/dbraw/zinc/58/73/46/640587346.db2.gz UZJKYXFVEKNXNU-UHFFFAOYSA-N 1 0 241.291 -1.599 20 0 BAADRO Cn1cc(CC(=O)NC2CN(CCO)C2)cn1 ZINC001030147610 640634085 /nfs/dbraw/zinc/63/40/85/640634085.db2.gz INDPCUSHJUSQSK-UHFFFAOYSA-N 1 0 238.291 -1.245 20 0 BAADRO C[N@@H+]1CCC[C@H]1C(=O)NC1CN(CCO)C1 ZINC001030162453 640646363 /nfs/dbraw/zinc/64/63/63/640646363.db2.gz VQQGPFAVPAQCBT-JTQLQIEISA-N 1 0 227.308 -1.127 20 0 BAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC1CN(CCO)C1 ZINC001030162454 640646049 /nfs/dbraw/zinc/64/60/49/640646049.db2.gz VQQGPFAVPAQCBT-SNVBAGLBSA-N 1 0 227.308 -1.127 20 0 BAADRO Cn1ccc(CC(=O)NC2CN(CCO)C2)n1 ZINC001030294536 640737211 /nfs/dbraw/zinc/73/72/11/640737211.db2.gz KIRNBRDBHIWQCK-UHFFFAOYSA-N 1 0 238.291 -1.245 20 0 BAADRO CCN1CC(NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001030461274 711834160 /nfs/dbraw/zinc/83/41/60/711834160.db2.gz IWPFGEUIZWPBSP-ZETCQYMHSA-N 1 0 240.263 -1.595 20 0 BAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CN(CCO)C1 ZINC001030964270 641528671 /nfs/dbraw/zinc/52/86/71/641528671.db2.gz TZUCIUWPCNASSR-GXSJLCMTSA-N 1 0 241.335 -1.023 20 0 BAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CN(CCO)C1 ZINC001030964273 641531691 /nfs/dbraw/zinc/53/16/91/641531691.db2.gz TZUCIUWPCNASSR-KOLCDFICSA-N 1 0 241.335 -1.023 20 0 BAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CN(CCO)C1 ZINC001030964275 641530752 /nfs/dbraw/zinc/53/07/52/641530752.db2.gz TZUCIUWPCNASSR-MWLCHTKSSA-N 1 0 241.335 -1.023 20 0 BAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CN(CCO)C1 ZINC001030964277 641531421 /nfs/dbraw/zinc/53/14/21/641531421.db2.gz TZUCIUWPCNASSR-ONGXEEELSA-N 1 0 241.335 -1.023 20 0 BAADRO Cn1cncc1CC(=O)NC1CN(CCO)C1 ZINC001031257949 641867011 /nfs/dbraw/zinc/86/70/11/641867011.db2.gz BOWKHZFAQXWCBP-UHFFFAOYSA-N 1 0 238.291 -1.245 20 0 BAADRO O=C(NC1CN(CCO)C1)C12CC[NH+](CC1)C2 ZINC001031263194 641869616 /nfs/dbraw/zinc/86/96/16/641869616.db2.gz HRXWNWLJFHGQJA-UHFFFAOYSA-N 1 0 239.319 -1.125 20 0 BAADRO C[N@@H+]1CC[C@@H](C(=O)NC2CN(CCO)C2)C1 ZINC001031383452 642042542 /nfs/dbraw/zinc/04/25/42/642042542.db2.gz BAXPPSBWDUVMBZ-SECBINFHSA-N 1 0 227.308 -1.269 20 0 BAADRO C[N@@H+]1CC[C@H](C(=O)NC2CN(CCO)C2)C1 ZINC001031383454 642043615 /nfs/dbraw/zinc/04/36/15/642043615.db2.gz BAXPPSBWDUVMBZ-VIFPVBQESA-N 1 0 227.308 -1.269 20 0 BAADRO C[N@@H+]1CC[C@@H](C(=O)NC2CN(CC(N)=O)C2)C1 ZINC001031385522 642048661 /nfs/dbraw/zinc/04/86/61/642048661.db2.gz GXPLXXYJMAXGLR-MRVPVSSYSA-N 1 0 240.307 -1.776 20 0 BAADRO C[N@@H+]1CC[C@H](C(=O)NC2CN(CC(N)=O)C2)C1 ZINC001031385523 642049775 /nfs/dbraw/zinc/04/97/75/642049775.db2.gz GXPLXXYJMAXGLR-QMMMGPOBSA-N 1 0 240.307 -1.776 20 0 BAADRO NC(=O)CN1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001031389369 642054189 /nfs/dbraw/zinc/05/41/89/642054189.db2.gz MSXHSQWQJCKNDS-UHFFFAOYSA-N 1 0 240.307 -1.632 20 0 BAADRO O=C(C[NH+]1CCCC1)NC1CN(CCO)C1 ZINC001031390799 642059523 /nfs/dbraw/zinc/05/95/23/642059523.db2.gz UEXKRSQIHHBROA-UHFFFAOYSA-N 1 0 227.308 -1.125 20 0 BAADRO CCN1CC(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001031402340 642079287 /nfs/dbraw/zinc/07/92/87/642079287.db2.gz FFQKAUSOKGCKQY-MRVPVSSYSA-N 1 0 247.320 -1.502 20 0 BAADRO CCN1CC(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001031402341 642078597 /nfs/dbraw/zinc/07/85/97/642078597.db2.gz FFQKAUSOKGCKQY-QMMMGPOBSA-N 1 0 247.320 -1.502 20 0 BAADRO O=C(NCC1C[NH+](CCO)C1)C1=COCCO1 ZINC001031529603 642273017 /nfs/dbraw/zinc/27/30/17/642273017.db2.gz KTIJTWJGNBRLPF-UHFFFAOYSA-N 1 0 242.275 -1.085 20 0 BAADRO O=C(NCC1C[NH+](CCO)C1)[C@@H]1COCCO1 ZINC001031557810 642301039 /nfs/dbraw/zinc/30/10/39/642301039.db2.gz HIOXJLZWZLXFLX-JTQLQIEISA-N 1 0 244.291 -1.558 20 0 BAADRO O=C(NCC1C[NH+](CCO)C1)[C@H]1COCCO1 ZINC001031557811 642301573 /nfs/dbraw/zinc/30/15/73/642301573.db2.gz HIOXJLZWZLXFLX-SNVBAGLBSA-N 1 0 244.291 -1.558 20 0 BAADRO O=C(NCC1C[NH+](CCO)C1)[C@H]1CCC(=O)N1 ZINC001031582327 642334867 /nfs/dbraw/zinc/33/48/67/642334867.db2.gz LTJLMRIRHKVPMG-SECBINFHSA-N 1 0 241.291 -1.695 20 0 BAADRO O=C(NCC1C[NH+](CCO)C1)[C@H]1COC(=O)N1 ZINC001031643718 642434606 /nfs/dbraw/zinc/43/46/06/642434606.db2.gz ZZFJMWYQIBFABY-MRVPVSSYSA-N 1 0 243.263 -1.865 20 0 BAADRO O=C(NCC1C[NH+](CCO)C1)[C@@H]1COC(=O)N1 ZINC001031643719 642433608 /nfs/dbraw/zinc/43/36/08/642433608.db2.gz ZZFJMWYQIBFABY-QMMMGPOBSA-N 1 0 243.263 -1.865 20 0 BAADRO Cn1nncc1C(=O)NCC1C[NH+](CCO)C1 ZINC001031645831 642437041 /nfs/dbraw/zinc/43/70/41/642437041.db2.gz OZRWKOXXMPJWSQ-UHFFFAOYSA-N 1 0 239.279 -1.531 20 0 BAADRO Cn1cc(C(=O)NCC2C[NH+](CCO)C2)nn1 ZINC001031651108 642464699 /nfs/dbraw/zinc/46/46/99/642464699.db2.gz BRLLIESDTPPHNV-UHFFFAOYSA-N 1 0 239.279 -1.531 20 0 BAADRO NC(=O)CN1CC(CNC(=O)c2ncc[nH]2)C1 ZINC001031658556 642491413 /nfs/dbraw/zinc/49/14/13/642491413.db2.gz MKTGJGWGTXDSTH-UHFFFAOYSA-N 1 0 237.263 -1.443 20 0 BAADRO O=C(NCC1C[NH+](CCCO)C1)c1cn[nH]n1 ZINC001031805094 642860257 /nfs/dbraw/zinc/86/02/57/642860257.db2.gz FJIKLJUUZLDOJX-UHFFFAOYSA-N 1 0 239.279 -1.151 20 0 BAADRO C[C@@H](O)C[NH+]1CC(CNC(=O)c2cn[nH]n2)C1 ZINC001031807781 642861305 /nfs/dbraw/zinc/86/13/05/642861305.db2.gz DBGBERRGTPTQDK-SSDOTTSWSA-N 1 0 239.279 -1.153 20 0 BAADRO C[C@H](O)C[NH+]1CC(CNC(=O)c2cn[nH]n2)C1 ZINC001031807782 642861039 /nfs/dbraw/zinc/86/10/39/642861039.db2.gz DBGBERRGTPTQDK-ZETCQYMHSA-N 1 0 239.279 -1.153 20 0 BAADRO O=C(NCC1C[NH+](CCO)C1)c1cn[nH]n1 ZINC001031809065 642862080 /nfs/dbraw/zinc/86/20/80/642862080.db2.gz IMEZUJHNPJKIGO-UHFFFAOYSA-N 1 0 225.252 -1.541 20 0 BAADRO O=C(NCC1C[NH+](CCO)C1)[C@@H]1CCNC1=O ZINC001031902558 643021494 /nfs/dbraw/zinc/02/14/94/643021494.db2.gz OEJUOUPLDGIJTC-SECBINFHSA-N 1 0 241.291 -1.837 20 0 BAADRO O=C(NCC1C[NH+](CCO)C1)[C@H]1CCNC1=O ZINC001031902559 643022052 /nfs/dbraw/zinc/02/20/52/643022052.db2.gz OEJUOUPLDGIJTC-VIFPVBQESA-N 1 0 241.291 -1.837 20 0 BAADRO CC[NH+]1CC(CNC(=O)c2nnn(C)n2)C1 ZINC001031905986 643027148 /nfs/dbraw/zinc/02/71/48/643027148.db2.gz VJIWEZPWQTXBHJ-UHFFFAOYSA-N 1 0 224.268 -1.108 20 0 BAADRO Cn1nnc(C(=O)NCC2C[NH+](CCO)C2)n1 ZINC001031906161 643027032 /nfs/dbraw/zinc/02/70/32/643027032.db2.gz GPMOBEGQIGYSFT-UHFFFAOYSA-N 1 0 240.267 -2.136 20 0 BAADRO CC[NH+]1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001031942767 643086290 /nfs/dbraw/zinc/08/62/90/643086290.db2.gz RNTSCHXFFJTVAI-MRVPVSSYSA-N 1 0 226.280 -1.264 20 0 BAADRO CC[NH+]1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001031942768 643086975 /nfs/dbraw/zinc/08/69/75/643086975.db2.gz RNTSCHXFFJTVAI-QMMMGPOBSA-N 1 0 226.280 -1.264 20 0 BAADRO O=C(NCC1C[NH+](CCO)C1)[C@H]1CNC(=O)N1 ZINC001031942821 643087676 /nfs/dbraw/zinc/08/76/76/643087676.db2.gz SUPRCQYOAUHWFI-MRVPVSSYSA-N 1 0 242.279 -2.292 20 0 BAADRO O=C(NCC1C[NH+](CCO)C1)[C@@H]1CNC(=O)N1 ZINC001031942822 643087153 /nfs/dbraw/zinc/08/71/53/643087153.db2.gz SUPRCQYOAUHWFI-QMMMGPOBSA-N 1 0 242.279 -2.292 20 0 BAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1C[NH+](CCO)C1 ZINC001031979683 643150694 /nfs/dbraw/zinc/15/06/94/643150694.db2.gz FELGQWSAHCHYEM-BDAKNGLRSA-N 1 0 241.291 -1.852 20 0 BAADRO Cn1ncc(C(=O)NCC2C[NH+](CCO)C2)n1 ZINC001032048583 643212617 /nfs/dbraw/zinc/21/26/17/643212617.db2.gz BUGBYHURNQODJO-UHFFFAOYSA-N 1 0 239.279 -1.531 20 0 BAADRO C[C@@H](O)C[NH+]1CC(CNC(=O)c2nnc[nH]2)C1 ZINC001032058338 711901631 /nfs/dbraw/zinc/90/16/31/711901631.db2.gz UONXXIPZFHJAJU-SSDOTTSWSA-N 1 0 239.279 -1.153 20 0 BAADRO C[C@H](O)C[NH+]1CC(CNC(=O)c2nnc[nH]2)C1 ZINC001032058339 711901910 /nfs/dbraw/zinc/90/19/10/711901910.db2.gz UONXXIPZFHJAJU-ZETCQYMHSA-N 1 0 239.279 -1.153 20 0 BAADRO O=C(NCC1C[NH+](CCCO)C1)c1nnc[nH]1 ZINC001032059632 643220560 /nfs/dbraw/zinc/22/05/60/643220560.db2.gz LLNPFYBTALHNBB-UHFFFAOYSA-N 1 0 239.279 -1.151 20 0 BAADRO O=C(NCC1C[NH+](CCO)C1)c1nnc[nH]1 ZINC001032061289 643222101 /nfs/dbraw/zinc/22/21/01/643222101.db2.gz QZNZZZUHOYFFRS-UHFFFAOYSA-N 1 0 225.252 -1.541 20 0 BAADRO O=C(NCC1C[NH+](CCO)C1)c1cnon1 ZINC001032062727 643223422 /nfs/dbraw/zinc/22/34/22/643223422.db2.gz GUQLPLSYZDCHIY-UHFFFAOYSA-N 1 0 226.236 -1.277 20 0 BAADRO O=C(NCC1C[NH+](CCO)C1)[C@@H]1CCC(=O)N1 ZINC001032138871 711904447 /nfs/dbraw/zinc/90/44/47/711904447.db2.gz LTJLMRIRHKVPMG-VIFPVBQESA-N 1 0 241.291 -1.695 20 0 BAADRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cnnn1 ZINC001032269336 643420724 /nfs/dbraw/zinc/42/07/24/643420724.db2.gz LNIAYOPORSQPHE-IUCAKERBSA-N 1 0 236.279 -1.022 20 0 BAADRO COCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(N)=O ZINC001032324179 643503921 /nfs/dbraw/zinc/50/39/21/643503921.db2.gz ZGBGEVFRCPGTGG-IUCAKERBSA-N 1 0 241.291 -1.207 20 0 BAADRO NC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032324399 643503948 /nfs/dbraw/zinc/50/39/48/643503948.db2.gz GRQYEWAGUDDOCO-YUMQZZPRSA-N 1 0 227.264 -1.861 20 0 BAADRO NC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001032324621 643504467 /nfs/dbraw/zinc/50/44/67/643504467.db2.gz ONLNKURGVBRURA-IUCAKERBSA-N 1 0 241.291 -1.471 20 0 BAADRO C[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(N)=O ZINC001032325501 643503624 /nfs/dbraw/zinc/50/36/24/643503624.db2.gz NQOMIFWFOKGWOJ-CIUDSAMLSA-N 1 0 241.291 -1.472 20 0 BAADRO C[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(N)=O ZINC001032325505 643503517 /nfs/dbraw/zinc/50/35/17/643503517.db2.gz NQOMIFWFOKGWOJ-VGMNWLOBSA-N 1 0 241.291 -1.472 20 0 BAADRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CNC(=O)N1 ZINC001032597463 711928094 /nfs/dbraw/zinc/92/80/94/711928094.db2.gz RLFGIBGFMYXTEB-CIUDSAMLSA-N 1 0 238.291 -1.027 20 0 BAADRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CNC(=O)N1 ZINC001032597464 711928120 /nfs/dbraw/zinc/92/81/20/711928120.db2.gz RLFGIBGFMYXTEB-XHNCKOQMSA-N 1 0 238.291 -1.027 20 0 BAADRO C[C@@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001033375460 711987964 /nfs/dbraw/zinc/98/79/64/711987964.db2.gz GDQGCCJKPANXLJ-HTQZYQBOSA-N 1 0 229.280 -1.615 20 0 BAADRO C[C@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001033375462 711988255 /nfs/dbraw/zinc/98/82/55/711988255.db2.gz GDQGCCJKPANXLJ-JGVFFNPUSA-N 1 0 229.280 -1.615 20 0 BAADRO C[C@@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001033375464 711988179 /nfs/dbraw/zinc/98/81/79/711988179.db2.gz GDQGCCJKPANXLJ-SFYZADRCSA-N 1 0 229.280 -1.615 20 0 BAADRO C[C@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001033375465 711988185 /nfs/dbraw/zinc/98/81/85/711988185.db2.gz GDQGCCJKPANXLJ-YUMQZZPRSA-N 1 0 229.280 -1.615 20 0 BAADRO COCC[N@@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001033376170 711988248 /nfs/dbraw/zinc/98/82/48/711988248.db2.gz NDUUXZKFOZJULM-MRVPVSSYSA-N 1 0 229.280 -1.349 20 0 BAADRO COCC[N@@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001033376171 711988286 /nfs/dbraw/zinc/98/82/86/711988286.db2.gz NDUUXZKFOZJULM-QMMMGPOBSA-N 1 0 229.280 -1.349 20 0 BAADRO CN(C(=O)C(N)=O)[C@@H]1CC[N@H+](CCO)C1 ZINC001033377862 711988525 /nfs/dbraw/zinc/98/85/25/711988525.db2.gz AMHPWXJOUJAIMO-SSDOTTSWSA-N 1 0 215.253 -2.003 20 0 BAADRO CN(C(=O)C(N)=O)[C@H]1CC[N@H+](CCO)C1 ZINC001033377867 711988122 /nfs/dbraw/zinc/98/81/22/711988122.db2.gz AMHPWXJOUJAIMO-ZETCQYMHSA-N 1 0 215.253 -2.003 20 0 BAADRO CN(C(=O)C(N)=O)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033383197 711989387 /nfs/dbraw/zinc/98/93/87/711989387.db2.gz HSHKLCLVKNDYEW-MRVPVSSYSA-N 1 0 229.280 -1.613 20 0 BAADRO CN(C(=O)C(N)=O)[C@H]1CC[N@H+](CCCO)C1 ZINC001033383198 711989081 /nfs/dbraw/zinc/98/90/81/711989081.db2.gz HSHKLCLVKNDYEW-QMMMGPOBSA-N 1 0 229.280 -1.613 20 0 BAADRO CN(C(=O)c1nc[nH]n1)[C@@H]1CC[N@H+](CCO)C1 ZINC001033515071 711998384 /nfs/dbraw/zinc/99/83/84/711998384.db2.gz DESJQMFKERZYQN-MRVPVSSYSA-N 1 0 239.279 -1.057 20 0 BAADRO CN(C(=O)c1nc[nH]n1)[C@H]1CC[N@H+](CCO)C1 ZINC001033515073 711998405 /nfs/dbraw/zinc/99/84/05/711998405.db2.gz DESJQMFKERZYQN-QMMMGPOBSA-N 1 0 239.279 -1.057 20 0 BAADRO C[C@@H](O)C[N@@H+]1CCCC[C@H](NC(=O)C(N)=O)C1 ZINC001034372684 712061226 /nfs/dbraw/zinc/06/12/26/712061226.db2.gz NRMBTZJYAHPJNE-BDAKNGLRSA-N 1 0 243.307 -1.177 20 0 BAADRO C[C@H](O)C[N@@H+]1CCCC[C@@H](NC(=O)C(N)=O)C1 ZINC001034372685 712061258 /nfs/dbraw/zinc/06/12/58/712061258.db2.gz NRMBTZJYAHPJNE-DTWKUNHWSA-N 1 0 243.307 -1.177 20 0 BAADRO C[C@H](O)C[N@@H+]1CCCC[C@H](NC(=O)C(N)=O)C1 ZINC001034372686 712061423 /nfs/dbraw/zinc/06/14/23/712061423.db2.gz NRMBTZJYAHPJNE-IUCAKERBSA-N 1 0 243.307 -1.177 20 0 BAADRO C[C@@H](O)C[N@@H+]1CCCC[C@@H](NC(=O)C(N)=O)C1 ZINC001034372687 712061213 /nfs/dbraw/zinc/06/12/13/712061213.db2.gz NRMBTZJYAHPJNE-RKDXNWHRSA-N 1 0 243.307 -1.177 20 0 BAADRO NC(=O)C(=O)N[C@@H]1CCCC[N@H+](CCCO)C1 ZINC001034372856 712061454 /nfs/dbraw/zinc/06/14/54/712061454.db2.gz PTOJSTFZLGJXEO-SECBINFHSA-N 1 0 243.307 -1.175 20 0 BAADRO NC(=O)C(=O)N[C@H]1CCCC[N@H+](CCCO)C1 ZINC001034372857 712061473 /nfs/dbraw/zinc/06/14/73/712061473.db2.gz PTOJSTFZLGJXEO-VIFPVBQESA-N 1 0 243.307 -1.175 20 0 BAADRO NC(=O)C(=O)N[C@@H]1CCCC[N@H+](CCO)C1 ZINC001034381881 712061610 /nfs/dbraw/zinc/06/16/10/712061610.db2.gz NAZXSAVZOYFHEU-MRVPVSSYSA-N 1 0 229.280 -1.565 20 0 BAADRO NC(=O)C(=O)N[C@H]1CCCC[N@H+](CCO)C1 ZINC001034381885 712061285 /nfs/dbraw/zinc/06/12/85/712061285.db2.gz NAZXSAVZOYFHEU-QMMMGPOBSA-N 1 0 229.280 -1.565 20 0 BAADRO NC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)C(N)=O)CC1 ZINC001034721212 712082125 /nfs/dbraw/zinc/08/21/25/712082125.db2.gz OXUOZNJGYPXYPJ-LJGSYFOKSA-N 1 0 242.279 -2.026 20 0 BAADRO C[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)C(N)=O)CC1 ZINC001034721922 712082059 /nfs/dbraw/zinc/08/20/59/712082059.db2.gz ZCUSTPHZPQDWCB-CIUDSAMLSA-N 1 0 243.307 -1.131 20 0 BAADRO C[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)C(N)=O)CC1 ZINC001034721923 712081802 /nfs/dbraw/zinc/08/18/02/712081802.db2.gz ZCUSTPHZPQDWCB-IWSPIJDZSA-N 1 0 243.307 -1.131 20 0 BAADRO NC(=O)C(=O)N[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC001034723595 712082685 /nfs/dbraw/zinc/08/26/85/712082685.db2.gz RSNJBUQNJDYJLE-ZKCHVHJHSA-N 1 0 229.280 -1.519 20 0 BAADRO NC(=O)C(=O)N1CCC2(C[NH+](CCO)C2)CC1 ZINC001035782771 712143284 /nfs/dbraw/zinc/14/32/84/712143284.db2.gz JFTMYVJJEALDEI-UHFFFAOYSA-N 1 0 241.291 -1.612 20 0 BAADRO COCC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@H](C)C1 ZINC001035869476 712148161 /nfs/dbraw/zinc/14/81/61/712148161.db2.gz NKUSDMFCAKIABC-BDAKNGLRSA-N 1 0 243.307 -1.055 20 0 BAADRO COCC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001035869480 712147962 /nfs/dbraw/zinc/14/79/62/712147962.db2.gz NKUSDMFCAKIABC-DTWKUNHWSA-N 1 0 243.307 -1.055 20 0 BAADRO COCC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001035869483 712148177 /nfs/dbraw/zinc/14/81/77/712148177.db2.gz NKUSDMFCAKIABC-IUCAKERBSA-N 1 0 243.307 -1.055 20 0 BAADRO COCC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@H](C)C1 ZINC001035869487 712147770 /nfs/dbraw/zinc/14/77/70/712147770.db2.gz NKUSDMFCAKIABC-RKDXNWHRSA-N 1 0 243.307 -1.055 20 0 BAADRO C[C@@H]1CN(C(=O)CC(N)=O)CC[C@@H]1[NH2+]CCO ZINC001035965143 712151874 /nfs/dbraw/zinc/15/18/74/712151874.db2.gz FBTGWNYAJMKYSG-BDAKNGLRSA-N 1 0 243.307 -1.319 20 0 BAADRO C[C@H]1CN(C(=O)CC(N)=O)CC[C@H]1[NH2+]CCO ZINC001035965144 712151757 /nfs/dbraw/zinc/15/17/57/712151757.db2.gz FBTGWNYAJMKYSG-DTWKUNHWSA-N 1 0 243.307 -1.319 20 0 BAADRO C[C@H]1CN(C(=O)CC(N)=O)CC[C@@H]1[NH2+]CCO ZINC001035965145 712151946 /nfs/dbraw/zinc/15/19/46/712151946.db2.gz FBTGWNYAJMKYSG-IUCAKERBSA-N 1 0 243.307 -1.319 20 0 BAADRO C[C@@H]1CN(C(=O)CC(N)=O)CC[C@H]1[NH2+]CCO ZINC001035965146 712152051 /nfs/dbraw/zinc/15/20/51/712152051.db2.gz FBTGWNYAJMKYSG-RKDXNWHRSA-N 1 0 243.307 -1.319 20 0 BAADRO C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1[NH2+]CCO ZINC001036163040 712162455 /nfs/dbraw/zinc/16/24/55/712162455.db2.gz YTGCDBOGWHELGI-HTQZYQBOSA-N 1 0 229.280 -1.709 20 0 BAADRO C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1[NH2+]CCO ZINC001036163041 712162365 /nfs/dbraw/zinc/16/23/65/712162365.db2.gz YTGCDBOGWHELGI-JGVFFNPUSA-N 1 0 229.280 -1.709 20 0 BAADRO C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1[NH2+]CCO ZINC001036163042 712162446 /nfs/dbraw/zinc/16/24/46/712162446.db2.gz YTGCDBOGWHELGI-SFYZADRCSA-N 1 0 229.280 -1.709 20 0 BAADRO C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1[NH2+]CCO ZINC001036163043 712162392 /nfs/dbraw/zinc/16/23/92/712162392.db2.gz YTGCDBOGWHELGI-YUMQZZPRSA-N 1 0 229.280 -1.709 20 0 BAADRO C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001036170940 712160420 /nfs/dbraw/zinc/16/04/20/712160420.db2.gz GAOPDLSPPQGXHL-BQBZGAKWSA-N 1 0 242.279 -2.216 20 0 BAADRO C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1[NH2+]CC(N)=O ZINC001036170941 712160427 /nfs/dbraw/zinc/16/04/27/712160427.db2.gz GAOPDLSPPQGXHL-NKWVEPMBSA-N 1 0 242.279 -2.216 20 0 BAADRO C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1[NH2+]CC(N)=O ZINC001036170942 712159984 /nfs/dbraw/zinc/15/99/84/712159984.db2.gz GAOPDLSPPQGXHL-RNFRBKRXSA-N 1 0 242.279 -2.216 20 0 BAADRO C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001036170943 712160061 /nfs/dbraw/zinc/16/00/61/712160061.db2.gz GAOPDLSPPQGXHL-RQJHMYQMSA-N 1 0 242.279 -2.216 20 0 BAADRO NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036808643 712499663 /nfs/dbraw/zinc/49/96/63/712499663.db2.gz XUQJVBOAPUVUGQ-BDAKNGLRSA-N 1 0 241.291 -1.613 20 0 BAADRO NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCO)C1 ZINC001036808644 712499654 /nfs/dbraw/zinc/49/96/54/712499654.db2.gz XUQJVBOAPUVUGQ-DTWKUNHWSA-N 1 0 241.291 -1.613 20 0 BAADRO NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCO)C1 ZINC001036808645 712499609 /nfs/dbraw/zinc/49/96/09/712499609.db2.gz XUQJVBOAPUVUGQ-IUCAKERBSA-N 1 0 241.291 -1.613 20 0 BAADRO NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036808646 712499534 /nfs/dbraw/zinc/49/95/34/712499534.db2.gz XUQJVBOAPUVUGQ-RKDXNWHRSA-N 1 0 241.291 -1.613 20 0 BAADRO CC[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1[NH2+]CCO ZINC001037903297 712891664 /nfs/dbraw/zinc/89/16/64/712891664.db2.gz IQYPAFXBXOGJAL-BDAKNGLRSA-N 1 0 243.307 -1.319 20 0 BAADRO CC[C@H]1CN(C(=O)C(N)=O)CC[C@H]1[NH2+]CCO ZINC001037903298 712891376 /nfs/dbraw/zinc/89/13/76/712891376.db2.gz IQYPAFXBXOGJAL-DTWKUNHWSA-N 1 0 243.307 -1.319 20 0 BAADRO CC[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1[NH2+]CCO ZINC001037903299 712891658 /nfs/dbraw/zinc/89/16/58/712891658.db2.gz IQYPAFXBXOGJAL-IUCAKERBSA-N 1 0 243.307 -1.319 20 0 BAADRO CC[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1[NH2+]CCO ZINC001037903300 712891389 /nfs/dbraw/zinc/89/13/89/712891389.db2.gz IQYPAFXBXOGJAL-RKDXNWHRSA-N 1 0 243.307 -1.319 20 0 BAADRO CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001038650898 710700243 /nfs/dbraw/zinc/70/02/43/710700243.db2.gz NAPSHPCTZFWIBB-HTQZYQBOSA-N 1 0 226.280 -1.122 20 0 BAADRO CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001038650899 710698849 /nfs/dbraw/zinc/69/88/49/710698849.db2.gz NAPSHPCTZFWIBB-JGVFFNPUSA-N 1 0 226.280 -1.122 20 0 BAADRO CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001038650900 710699869 /nfs/dbraw/zinc/69/98/69/710699869.db2.gz NAPSHPCTZFWIBB-SFYZADRCSA-N 1 0 226.280 -1.122 20 0 BAADRO CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001038650901 710699243 /nfs/dbraw/zinc/69/92/43/710699243.db2.gz NAPSHPCTZFWIBB-YUMQZZPRSA-N 1 0 226.280 -1.122 20 0 BAADRO CC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001041055336 712901409 /nfs/dbraw/zinc/90/14/09/712901409.db2.gz NHSLCKFXUKJZQK-UHFFFAOYSA-N 1 0 243.307 -1.353 20 0 BAADRO NC(=O)C(=O)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041627333 710768295 /nfs/dbraw/zinc/76/82/95/710768295.db2.gz FTMNCLNLMCGVCH-LLVKDONJSA-N 1 0 241.291 -1.612 20 0 BAADRO NC(=O)C(=O)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041627334 710768540 /nfs/dbraw/zinc/76/85/40/710768540.db2.gz FTMNCLNLMCGVCH-NSHDSACASA-N 1 0 241.291 -1.612 20 0 BAADRO NC(=O)C(=O)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001042214319 710774620 /nfs/dbraw/zinc/77/46/20/710774620.db2.gz QSFCXLBJSNVTHP-BDAKNGLRSA-N 1 0 241.291 -1.613 20 0 BAADRO NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](CCO)[C@@H]2C1 ZINC001042214320 710774655 /nfs/dbraw/zinc/77/46/55/710774655.db2.gz QSFCXLBJSNVTHP-DTWKUNHWSA-N 1 0 241.291 -1.613 20 0 BAADRO NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001042214321 710774981 /nfs/dbraw/zinc/77/49/81/710774981.db2.gz QSFCXLBJSNVTHP-IUCAKERBSA-N 1 0 241.291 -1.613 20 0 BAADRO NC(=O)C(=O)N1CC[C@H]2CC[N@H+](CCO)[C@@H]2C1 ZINC001042214322 711669893 /nfs/dbraw/zinc/66/98/93/711669893.db2.gz QSFCXLBJSNVTHP-RKDXNWHRSA-N 1 0 241.291 -1.613 20 0 BAADRO C[C@@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)CC(N)=O ZINC001044512109 710828671 /nfs/dbraw/zinc/82/86/71/710828671.db2.gz CTFXDRKIOOSFDI-BDAKNGLRSA-N 1 0 243.307 -1.177 20 0 BAADRO C[C@H]1C[C@H]([NH2+]CCO)CCN1C(=O)CC(N)=O ZINC001044512110 710828750 /nfs/dbraw/zinc/82/87/50/710828750.db2.gz CTFXDRKIOOSFDI-DTWKUNHWSA-N 1 0 243.307 -1.177 20 0 BAADRO C[C@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)CC(N)=O ZINC001044512111 710828701 /nfs/dbraw/zinc/82/87/01/710828701.db2.gz CTFXDRKIOOSFDI-IUCAKERBSA-N 1 0 243.307 -1.177 20 0 BAADRO C[C@@H]1C[C@H]([NH2+]CCO)CCN1C(=O)CC(N)=O ZINC001044512112 710828506 /nfs/dbraw/zinc/82/85/06/710828506.db2.gz CTFXDRKIOOSFDI-RKDXNWHRSA-N 1 0 243.307 -1.177 20 0 BAADRO C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)C(N)=O ZINC001044723707 710831081 /nfs/dbraw/zinc/83/10/81/710831081.db2.gz VTPXRATYXXIPBV-BQBZGAKWSA-N 1 0 242.279 -2.074 20 0 BAADRO C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)C(N)=O ZINC001044723717 710830262 /nfs/dbraw/zinc/83/02/62/710830262.db2.gz VTPXRATYXXIPBV-NKWVEPMBSA-N 1 0 242.279 -2.074 20 0 BAADRO C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)C(N)=O ZINC001044723720 710831115 /nfs/dbraw/zinc/83/11/15/710831115.db2.gz VTPXRATYXXIPBV-RNFRBKRXSA-N 1 0 242.279 -2.074 20 0 BAADRO C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)C(N)=O ZINC001044723723 710831284 /nfs/dbraw/zinc/83/12/84/710831284.db2.gz VTPXRATYXXIPBV-RQJHMYQMSA-N 1 0 242.279 -2.074 20 0 BAADRO C[C@@H]1C[C@H]([NH2+]CCO)CCN1C(=O)C(N)=O ZINC001044730252 710830903 /nfs/dbraw/zinc/83/09/03/710830903.db2.gz XEYCNNOMVVRTJT-HTQZYQBOSA-N 1 0 229.280 -1.567 20 0 BAADRO C[C@H]1C[C@H]([NH2+]CCO)CCN1C(=O)C(N)=O ZINC001044730256 710830663 /nfs/dbraw/zinc/83/06/63/710830663.db2.gz XEYCNNOMVVRTJT-JGVFFNPUSA-N 1 0 229.280 -1.567 20 0 BAADRO C[C@@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)C(N)=O ZINC001044730258 710830892 /nfs/dbraw/zinc/83/08/92/710830892.db2.gz XEYCNNOMVVRTJT-SFYZADRCSA-N 1 0 229.280 -1.567 20 0 BAADRO C[C@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)C(N)=O ZINC001044730259 710830887 /nfs/dbraw/zinc/83/08/87/710830887.db2.gz XEYCNNOMVVRTJT-YUMQZZPRSA-N 1 0 229.280 -1.567 20 0 BAADRO CC(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045713482 710840823 /nfs/dbraw/zinc/84/08/23/710840823.db2.gz HCCGJEWDLMIXTL-UHFFFAOYSA-N 1 0 243.307 -1.353 20 0 BAADRO NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001045839495 710841449 /nfs/dbraw/zinc/84/14/49/710841449.db2.gz NRVQQJAUDOTSAS-BDAKNGLRSA-N 1 0 241.291 -1.471 20 0 BAADRO NC(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCO)C2 ZINC001047137332 710868219 /nfs/dbraw/zinc/86/82/19/710868219.db2.gz HMVBRVPBRPLZHX-CIUDSAMLSA-N 1 0 241.291 -1.567 20 0 BAADRO NC(=O)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCO)C2 ZINC001047137333 710868911 /nfs/dbraw/zinc/86/89/11/710868911.db2.gz HMVBRVPBRPLZHX-YIZRAAEISA-N 1 0 241.291 -1.567 20 0 BAADRO CC[C@@H](C(N)=O)N1C[C@H](O)[C@@H](N(C)C(C)=O)C1 ZINC001047272336 710870074 /nfs/dbraw/zinc/87/00/74/710870074.db2.gz YTUGDDZZMUWMRJ-GUBZILKMSA-N 1 0 243.307 -1.226 20 0 BAADRO CC[C@H](C(N)=O)N1C[C@H](O)[C@@H](N(C)C(C)=O)C1 ZINC001047272338 710869815 /nfs/dbraw/zinc/86/98/15/710869815.db2.gz YTUGDDZZMUWMRJ-UTLUCORTSA-N 1 0 243.307 -1.226 20 0 BAADRO CN(C(=O)C1CC1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047279140 710870659 /nfs/dbraw/zinc/87/06/59/710870659.db2.gz HPSUWZJETQDTDC-UWVGGRQHSA-N 1 0 228.292 -1.108 20 0 BAADRO CN(C(=O)C(N)=O)[C@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001047506635 710872716 /nfs/dbraw/zinc/87/27/16/710872716.db2.gz AJQVHCJANMILKQ-YUMQZZPRSA-N 1 0 247.270 -1.665 20 0 BAADRO CN(C(=O)C(N)=O)[C@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001047506658 710872249 /nfs/dbraw/zinc/87/22/49/710872249.db2.gz AWNFMIHBUYQWGS-IUCAKERBSA-N 1 0 241.291 -1.615 20 0 BAADRO C[C@@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047510336 710872445 /nfs/dbraw/zinc/87/24/45/710872445.db2.gz MFDMNIHJTWQUFO-CSMHCCOUSA-N 1 0 245.279 -2.644 20 0 BAADRO C[C@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047510337 710872531 /nfs/dbraw/zinc/87/25/31/710872531.db2.gz MFDMNIHJTWQUFO-FXQIFTODSA-N 1 0 245.279 -2.644 20 0 BAADRO CCCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047510708 710872269 /nfs/dbraw/zinc/87/22/69/710872269.db2.gz BWRFOLVVGCGRFM-IUCAKERBSA-N 1 0 243.307 -1.225 20 0 BAADRO CC(C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047510876 710872464 /nfs/dbraw/zinc/87/24/64/710872464.db2.gz GQEPGOGWCZHBJE-YUMQZZPRSA-N 1 0 229.280 -1.616 20 0 BAADRO CC(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047510887 710872331 /nfs/dbraw/zinc/87/23/31/710872331.db2.gz HHSYJFUICLHKRZ-IUCAKERBSA-N 1 0 243.307 -1.369 20 0 BAADRO CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047511230 710872146 /nfs/dbraw/zinc/87/21/46/710872146.db2.gz RVRBSZWADMXOFI-YUMQZZPRSA-N 1 0 229.280 -1.615 20 0 BAADRO CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047511407 710872050 /nfs/dbraw/zinc/87/20/50/710872050.db2.gz YUVSFJPYSQQTOO-BQBZGAKWSA-N 1 0 215.253 -2.005 20 0 BAADRO CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001047570485 710872968 /nfs/dbraw/zinc/87/29/68/710872968.db2.gz PTJQLXGCVMQBJU-YUMQZZPRSA-N 1 0 239.279 -1.058 20 0 BAADRO NC(=O)C[N@H+]1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 ZINC001049021613 710892518 /nfs/dbraw/zinc/89/25/18/710892518.db2.gz ZZQAGICDVHNRBT-KNVOCYPGSA-N 1 0 240.263 -2.653 20 0 BAADRO NC(=O)C(=O)N1C[C@@H]2C[N@@H+](CCF)C[C@@H]2C1 ZINC001049021794 710892055 /nfs/dbraw/zinc/89/20/55/710892055.db2.gz FLTQVZXTYZXQEN-OCAPTIKFSA-N 1 0 229.255 -1.169 20 0 BAADRO COCC[N@H+]1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 ZINC001049022480 710892388 /nfs/dbraw/zinc/89/23/88/710892388.db2.gz MUWONHHJRAFMHR-DTORHVGOSA-N 1 0 241.291 -1.492 20 0 BAADRO C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 ZINC001049023030 710892629 /nfs/dbraw/zinc/89/26/29/710892629.db2.gz JUXUAXVYICPMFU-HLTSFMKQSA-N 1 0 241.291 -1.757 20 0 BAADRO C[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 ZINC001049023031 710893057 /nfs/dbraw/zinc/89/30/57/710893057.db2.gz JUXUAXVYICPMFU-XHNCKOQMSA-N 1 0 241.291 -1.757 20 0 BAADRO NC(=O)C(=O)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001049023199 710892684 /nfs/dbraw/zinc/89/26/84/710892684.db2.gz PUDNSDNEVTWWKS-DTORHVGOSA-N 1 0 241.291 -1.756 20 0 BAADRO NC(=O)C(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001049023334 710892567 /nfs/dbraw/zinc/89/25/67/710892567.db2.gz VTLHLRKNADNZMB-OCAPTIKFSA-N 1 0 227.264 -2.146 20 0 BAADRO CC[N@H+]1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 ZINC001049023487 710893179 /nfs/dbraw/zinc/89/31/79/710893179.db2.gz WSAUJSGGUSZCQV-OCAPTIKFSA-N 1 0 211.265 -1.118 20 0 BAADRO NC(=O)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049684758 710901540 /nfs/dbraw/zinc/90/15/40/710901540.db2.gz VYJIKUPTBDYZMW-BDAKNGLRSA-N 1 0 241.291 -1.471 20 0 BAADRO NC(=O)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCO ZINC001049684759 710901679 /nfs/dbraw/zinc/90/16/79/710901679.db2.gz VYJIKUPTBDYZMW-DTWKUNHWSA-N 1 0 241.291 -1.471 20 0 BAADRO NC(=O)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049684760 710901934 /nfs/dbraw/zinc/90/19/34/710901934.db2.gz VYJIKUPTBDYZMW-IUCAKERBSA-N 1 0 241.291 -1.471 20 0 BAADRO NC(=O)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCO ZINC001049684761 710901852 /nfs/dbraw/zinc/90/18/52/710901852.db2.gz VYJIKUPTBDYZMW-RKDXNWHRSA-N 1 0 241.291 -1.471 20 0 BAADRO NC(=O)C(=O)N1CCC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001050129507 710952357 /nfs/dbraw/zinc/95/23/57/710952357.db2.gz OTYKLQVPMRVOKS-DTWKUNHWSA-N 1 0 241.291 -1.613 20 0 BAADRO NC(=O)C(=O)N1CC2(C1)CC[NH+](CCO)CC2 ZINC001050644611 710952691 /nfs/dbraw/zinc/95/26/91/710952691.db2.gz NGJHXWFNZDXWFR-UHFFFAOYSA-N 1 0 241.291 -1.612 20 0 BAADRO CC(=O)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051384520 710956870 /nfs/dbraw/zinc/95/68/70/710956870.db2.gz TUKJDZFJWVMCCE-NXEZZACHSA-N 1 0 241.291 -1.288 20 0 BAADRO CC(=O)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051384525 710958047 /nfs/dbraw/zinc/95/80/47/710958047.db2.gz TUKJDZFJWVMCCE-UWVGGRQHSA-N 1 0 241.291 -1.288 20 0 BAADRO CC(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051384528 710957924 /nfs/dbraw/zinc/95/79/24/710957924.db2.gz TUKJDZFJWVMCCE-VHSXEESVSA-N 1 0 241.291 -1.288 20 0 BAADRO CC(=O)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051384530 710957800 /nfs/dbraw/zinc/95/78/00/710957800.db2.gz TUKJDZFJWVMCCE-ZJUUUORDSA-N 1 0 241.291 -1.288 20 0 BAADRO CC[NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001051506088 710956942 /nfs/dbraw/zinc/95/69/42/710956942.db2.gz WSQHGIJHTVZTON-MRVPVSSYSA-N 1 0 229.280 -1.301 20 0 BAADRO CC[NH2+]C[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001051506089 710957221 /nfs/dbraw/zinc/95/72/21/710957221.db2.gz WSQHGIJHTVZTON-QMMMGPOBSA-N 1 0 229.280 -1.301 20 0 BAADRO NC(=O)C(=O)N1CCO[C@H](C[NH2+]CC2CC2)C1 ZINC001051794283 710958488 /nfs/dbraw/zinc/95/84/88/710958488.db2.gz JLONOZGRDUOWOS-SECBINFHSA-N 1 0 241.291 -1.301 20 0 BAADRO NC(=O)C(=O)N1CCO[C@@H](C[NH2+]CC2CC2)C1 ZINC001051794284 710958898 /nfs/dbraw/zinc/95/88/98/710958898.db2.gz JLONOZGRDUOWOS-VIFPVBQESA-N 1 0 241.291 -1.301 20 0 BAADRO CC[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001051794905 710959058 /nfs/dbraw/zinc/95/90/58/710959058.db2.gz WKCQCFZKPCBJGX-SSDOTTSWSA-N 1 0 215.253 -1.691 20 0 BAADRO CC[NH2+]C[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001051794906 710958647 /nfs/dbraw/zinc/95/86/47/710958647.db2.gz WKCQCFZKPCBJGX-ZETCQYMHSA-N 1 0 215.253 -1.691 20 0 BAADRO CC(C)[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001051798902 710959115 /nfs/dbraw/zinc/95/91/15/710959115.db2.gz OZKUVRLGMQCZJI-MRVPVSSYSA-N 1 0 229.280 -1.303 20 0 BAADRO CC(C)[NH2+]C[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001051798909 710958976 /nfs/dbraw/zinc/95/89/76/710958976.db2.gz OZKUVRLGMQCZJI-QMMMGPOBSA-N 1 0 229.280 -1.303 20 0 BAADRO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C(N)=O)CC1 ZINC001052671231 710918353 /nfs/dbraw/zinc/91/83/53/710918353.db2.gz BXWFRVYFDODDHK-SSDOTTSWSA-N 1 0 242.279 -2.072 20 0 BAADRO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C(N)=O)CC1 ZINC001052671238 710918260 /nfs/dbraw/zinc/91/82/60/710918260.db2.gz BXWFRVYFDODDHK-ZETCQYMHSA-N 1 0 242.279 -2.072 20 0 BAADRO C[C@@H](O)C[N@@H+]1CCC[C@H](NC(=O)C(N)=O)CC1 ZINC001052675411 710918626 /nfs/dbraw/zinc/91/86/26/710918626.db2.gz ZUBWHLUHOYAJAU-BDAKNGLRSA-N 1 0 243.307 -1.177 20 0 BAADRO C[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)C(N)=O)CC1 ZINC001052675412 710917789 /nfs/dbraw/zinc/91/77/89/710917789.db2.gz ZUBWHLUHOYAJAU-DTWKUNHWSA-N 1 0 243.307 -1.177 20 0 BAADRO C[C@H](O)C[N@@H+]1CCC[C@H](NC(=O)C(N)=O)CC1 ZINC001052675413 710918866 /nfs/dbraw/zinc/91/88/66/710918866.db2.gz ZUBWHLUHOYAJAU-IUCAKERBSA-N 1 0 243.307 -1.177 20 0 BAADRO C[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)C(N)=O)CC1 ZINC001052675414 710918171 /nfs/dbraw/zinc/91/81/71/710918171.db2.gz ZUBWHLUHOYAJAU-RKDXNWHRSA-N 1 0 243.307 -1.177 20 0 BAADRO NC(=O)C(=O)N[C@@H]1CCC[N@H+](CCCO)CC1 ZINC001052679205 710918244 /nfs/dbraw/zinc/91/82/44/710918244.db2.gz JPRQRESHGSRPOK-SECBINFHSA-N 1 0 243.307 -1.175 20 0 BAADRO NC(=O)C(=O)N[C@H]1CCC[N@H+](CCCO)CC1 ZINC001052679206 710918558 /nfs/dbraw/zinc/91/85/58/710918558.db2.gz JPRQRESHGSRPOK-VIFPVBQESA-N 1 0 243.307 -1.175 20 0 BAADRO NC(=O)C(=O)N[C@@H]1CCC[N@H+](CCO)CC1 ZINC001052679373 710918553 /nfs/dbraw/zinc/91/85/53/710918553.db2.gz NBPPOHBTLAWTJJ-MRVPVSSYSA-N 1 0 229.280 -1.565 20 0 BAADRO NC(=O)C(=O)N[C@H]1CCC[N@H+](CCO)CC1 ZINC001052679374 710917746 /nfs/dbraw/zinc/91/77/46/710917746.db2.gz NBPPOHBTLAWTJJ-QMMMGPOBSA-N 1 0 229.280 -1.565 20 0 BAADRO COCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001054303111 710925086 /nfs/dbraw/zinc/92/50/86/710925086.db2.gz JVUNYYBACLVETO-HTQZYQBOSA-N 1 0 229.280 -1.445 20 0 BAADRO COCC(=O)N1C[C@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001054303112 710925841 /nfs/dbraw/zinc/92/58/41/710925841.db2.gz JVUNYYBACLVETO-JGVFFNPUSA-N 1 0 229.280 -1.445 20 0 BAADRO COCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(N)=O)C1 ZINC001054303113 710925562 /nfs/dbraw/zinc/92/55/62/710925562.db2.gz JVUNYYBACLVETO-SFYZADRCSA-N 1 0 229.280 -1.445 20 0 BAADRO COCC(=O)N1C[C@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001054303114 710925538 /nfs/dbraw/zinc/92/55/38/710925538.db2.gz JVUNYYBACLVETO-YUMQZZPRSA-N 1 0 229.280 -1.445 20 0 BAADRO C[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1[NH2+]CC(N)=O ZINC001054495324 710935668 /nfs/dbraw/zinc/93/56/68/710935668.db2.gz JJJZIWDQIGQMCQ-BQBZGAKWSA-N 1 0 242.279 -2.216 20 0 BAADRO C[C@H]1CN(C(=O)CC(N)=O)C[C@H]1[NH2+]CC(N)=O ZINC001054495325 710936038 /nfs/dbraw/zinc/93/60/38/710936038.db2.gz JJJZIWDQIGQMCQ-NKWVEPMBSA-N 1 0 242.279 -2.216 20 0 BAADRO C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1[NH2+]CC(N)=O ZINC001054495328 710936434 /nfs/dbraw/zinc/93/64/34/710936434.db2.gz JJJZIWDQIGQMCQ-RNFRBKRXSA-N 1 0 242.279 -2.216 20 0 BAADRO C[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1[NH2+]CC(N)=O ZINC001054495331 710936027 /nfs/dbraw/zinc/93/60/27/710936027.db2.gz JJJZIWDQIGQMCQ-RQJHMYQMSA-N 1 0 242.279 -2.216 20 0 BAADRO C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1[NH2+]CCO ZINC001054512407 710937173 /nfs/dbraw/zinc/93/71/73/710937173.db2.gz ZNAJPBMRLJMQSH-HTQZYQBOSA-N 1 0 229.280 -1.709 20 0 BAADRO C[C@H]1CN(C(=O)CC(N)=O)C[C@H]1[NH2+]CCO ZINC001054512414 710937450 /nfs/dbraw/zinc/93/74/50/710937450.db2.gz ZNAJPBMRLJMQSH-JGVFFNPUSA-N 1 0 229.280 -1.709 20 0 BAADRO C[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1[NH2+]CCO ZINC001054512417 710937342 /nfs/dbraw/zinc/93/73/42/710937342.db2.gz ZNAJPBMRLJMQSH-SFYZADRCSA-N 1 0 229.280 -1.709 20 0 BAADRO C[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1[NH2+]CCO ZINC001054512421 710937298 /nfs/dbraw/zinc/93/72/98/710937298.db2.gz ZNAJPBMRLJMQSH-YUMQZZPRSA-N 1 0 229.280 -1.709 20 0 BAADRO C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1[NH2+]CCO ZINC001054843992 710941529 /nfs/dbraw/zinc/94/15/29/710941529.db2.gz FWKIQFJAHQPFCG-APPZFPTMSA-N 1 0 239.279 -1.153 20 0 BAADRO C[C@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1[NH2+]CCO ZINC001054843997 710941170 /nfs/dbraw/zinc/94/11/70/710941170.db2.gz FWKIQFJAHQPFCG-CBAPKCEASA-N 1 0 239.279 -1.153 20 0 BAADRO C[C@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1[NH2+]CCO ZINC001054843998 710941475 /nfs/dbraw/zinc/94/14/75/710941475.db2.gz FWKIQFJAHQPFCG-IONNQARKSA-N 1 0 239.279 -1.153 20 0 BAADRO C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1[NH2+]CCO ZINC001054843999 710942557 /nfs/dbraw/zinc/94/25/57/710942557.db2.gz FWKIQFJAHQPFCG-VXNVDRBHSA-N 1 0 239.279 -1.153 20 0 BAADRO C[C@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]CC(N)=O ZINC001055023410 710944411 /nfs/dbraw/zinc/94/44/11/710944411.db2.gz PNTGGAPZQBHJIF-NTSWFWBYSA-N 1 0 228.252 -2.607 20 0 BAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]CC(N)=O ZINC001055023411 710944193 /nfs/dbraw/zinc/94/41/93/710944193.db2.gz PNTGGAPZQBHJIF-PHDIDXHHSA-N 1 0 228.252 -2.607 20 0 BAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1[NH2+]CC(N)=O ZINC001055023412 710944521 /nfs/dbraw/zinc/94/45/21/710944521.db2.gz PNTGGAPZQBHJIF-RITPCOANSA-N 1 0 228.252 -2.607 20 0 BAADRO C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1[NH2+]CC(N)=O ZINC001055023413 710944562 /nfs/dbraw/zinc/94/45/62/710944562.db2.gz PNTGGAPZQBHJIF-WDSKDSINSA-N 1 0 228.252 -2.607 20 0 BAADRO C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1[NH2+]CCF ZINC001055023603 710944400 /nfs/dbraw/zinc/94/44/00/710944400.db2.gz REFWAIOAGANCMK-BQBZGAKWSA-N 1 0 217.244 -1.122 20 0 BAADRO C[C@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]CCF ZINC001055023604 710944280 /nfs/dbraw/zinc/94/42/80/710944280.db2.gz REFWAIOAGANCMK-NKWVEPMBSA-N 1 0 217.244 -1.122 20 0 BAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]CCF ZINC001055023605 710944252 /nfs/dbraw/zinc/94/42/52/710944252.db2.gz REFWAIOAGANCMK-RNFRBKRXSA-N 1 0 217.244 -1.122 20 0 BAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1[NH2+]CCF ZINC001055023606 710944460 /nfs/dbraw/zinc/94/44/60/710944460.db2.gz REFWAIOAGANCMK-RQJHMYQMSA-N 1 0 217.244 -1.122 20 0 BAADRO C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1[NH2+]CCO ZINC001055025819 710944425 /nfs/dbraw/zinc/94/44/25/710944425.db2.gz KLVGMKJDHYJJBR-BQBZGAKWSA-N 1 0 215.253 -2.100 20 0 BAADRO C[C@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]CCO ZINC001055025829 710944187 /nfs/dbraw/zinc/94/41/87/710944187.db2.gz KLVGMKJDHYJJBR-NKWVEPMBSA-N 1 0 215.253 -2.100 20 0 BAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]CCO ZINC001055025832 710944218 /nfs/dbraw/zinc/94/42/18/710944218.db2.gz KLVGMKJDHYJJBR-RNFRBKRXSA-N 1 0 215.253 -2.100 20 0 BAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1[NH2+]CCO ZINC001055025836 710944324 /nfs/dbraw/zinc/94/43/24/710944324.db2.gz KLVGMKJDHYJJBR-RQJHMYQMSA-N 1 0 215.253 -2.100 20 0 BAADRO CC(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001056731122 710947179 /nfs/dbraw/zinc/94/71/79/710947179.db2.gz RXTQRPPPYXSGFM-UHFFFAOYSA-N 1 0 245.323 -1.105 20 0 BAADRO CC(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058707786 711701469 /nfs/dbraw/zinc/70/14/69/711701469.db2.gz NYVMZKJSUDNXKV-UHFFFAOYSA-N 1 0 245.323 -1.105 20 0 BAADRO C[C@@H]1CC[C@@H](NC(=O)C(N)=O)C[N@@H+]1CCO ZINC001071788863 711201809 /nfs/dbraw/zinc/20/18/09/711201809.db2.gz KVQXFPMSTRISLV-HTQZYQBOSA-N 1 0 229.280 -1.567 20 0 BAADRO C[C@H]1CC[C@@H](NC(=O)C(N)=O)C[N@@H+]1CCO ZINC001071788864 711201393 /nfs/dbraw/zinc/20/13/93/711201393.db2.gz KVQXFPMSTRISLV-JGVFFNPUSA-N 1 0 229.280 -1.567 20 0 BAADRO C[C@@H]1CC[C@H](NC(=O)C(N)=O)C[N@@H+]1CCO ZINC001071788865 711201428 /nfs/dbraw/zinc/20/14/28/711201428.db2.gz KVQXFPMSTRISLV-SFYZADRCSA-N 1 0 229.280 -1.567 20 0 BAADRO C[C@H]1CC[C@H](NC(=O)C(N)=O)C[N@@H+]1CCO ZINC001071788866 711201271 /nfs/dbraw/zinc/20/12/71/711201271.db2.gz KVQXFPMSTRISLV-YUMQZZPRSA-N 1 0 229.280 -1.567 20 0 BAADRO C[C@@H]1CC[C@H](NC(=O)C(N)=O)C[N@@H+]1CCCO ZINC001071789563 711201681 /nfs/dbraw/zinc/20/16/81/711201681.db2.gz VVESIQQFPPHHTL-BDAKNGLRSA-N 1 0 243.307 -1.177 20 0 BAADRO C[C@H]1CC[C@@H](NC(=O)C(N)=O)C[N@@H+]1CCCO ZINC001071789564 711202101 /nfs/dbraw/zinc/20/21/01/711202101.db2.gz VVESIQQFPPHHTL-DTWKUNHWSA-N 1 0 243.307 -1.177 20 0 BAADRO C[C@H]1CC[C@H](NC(=O)C(N)=O)C[N@@H+]1CCCO ZINC001071789565 711201792 /nfs/dbraw/zinc/20/17/92/711201792.db2.gz VVESIQQFPPHHTL-IUCAKERBSA-N 1 0 243.307 -1.177 20 0 BAADRO C[C@@H]1CC[C@@H](NC(=O)C(N)=O)C[N@@H+]1CCCO ZINC001071789566 711202519 /nfs/dbraw/zinc/20/25/19/711202519.db2.gz VVESIQQFPPHHTL-RKDXNWHRSA-N 1 0 243.307 -1.177 20 0 BAADRO NC(=O)CN1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001072934766 711418238 /nfs/dbraw/zinc/41/82/38/711418238.db2.gz UAAISMNCMOOPAA-UHFFFAOYSA-N 1 0 240.263 -2.509 20 0 BAADRO NC(=O)C(=O)N1CC2(C1)CC[N@H+](CCF)C2 ZINC001072936007 711419677 /nfs/dbraw/zinc/41/96/77/711419677.db2.gz LXEXYSYRBFRUCK-UHFFFAOYSA-N 1 0 229.255 -1.025 20 0 BAADRO C[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001072936038 711420846 /nfs/dbraw/zinc/42/08/46/711420846.db2.gz NHVGRFXDIOXBSE-MRVPVSSYSA-N 1 0 241.291 -1.613 20 0 BAADRO C[C@H](O)C[N@@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001072936039 711420014 /nfs/dbraw/zinc/42/00/14/711420014.db2.gz NHVGRFXDIOXBSE-QMMMGPOBSA-N 1 0 241.291 -1.613 20 0 BAADRO COCC[N@@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001072936179 711420309 /nfs/dbraw/zinc/42/03/09/711420309.db2.gz UAFQPLLRZSNDHS-UHFFFAOYSA-N 1 0 241.291 -1.348 20 0 BAADRO NC(=O)C(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001072938102 711420753 /nfs/dbraw/zinc/42/07/53/711420753.db2.gz NOJDINDDXCYRNI-UHFFFAOYSA-N 1 0 227.264 -2.002 20 0 BAADRO NC(=O)C(=O)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001072938283 711420446 /nfs/dbraw/zinc/42/04/46/711420446.db2.gz QONDYMFHWGOGBB-UHFFFAOYSA-N 1 0 241.291 -1.612 20 0 BAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)C(N)=O)[C@H]1C)C(N)=O ZINC001074845918 711444550 /nfs/dbraw/zinc/44/45/50/711444550.db2.gz BEYXGKAWDOKVNS-ACZMJKKPSA-N 1 0 242.279 -2.076 20 0 BAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)C(N)=O)[C@H]1C)C(N)=O ZINC001074845919 711444681 /nfs/dbraw/zinc/44/46/81/711444681.db2.gz BEYXGKAWDOKVNS-VQVTYTSYSA-N 1 0 242.279 -2.076 20 0 BAADRO C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001074845935 711444728 /nfs/dbraw/zinc/44/47/28/711444728.db2.gz FALMNUBSBYKNAB-CSMHCCOUSA-N 1 0 229.280 -1.569 20 0 BAADRO C[C@H](O)C[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001074845949 711444677 /nfs/dbraw/zinc/44/46/77/711444677.db2.gz FALMNUBSBYKNAB-FXQIFTODSA-N 1 0 229.280 -1.569 20 0 BAADRO CCC(=O)N[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1O ZINC001076653165 711807121 /nfs/dbraw/zinc/80/71/21/711807121.db2.gz BNCZUZLKKAABIB-BWZBUEFSSA-N 1 0 229.280 -1.569 20 0 BAADRO CCC(=O)N[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1O ZINC001076653166 711807372 /nfs/dbraw/zinc/80/73/72/711807372.db2.gz BNCZUZLKKAABIB-XLPZGREQSA-N 1 0 229.280 -1.569 20 0 BAADRO CCC(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1O ZINC001076653347 711807007 /nfs/dbraw/zinc/80/70/07/711807007.db2.gz KHIVMFVDAFUUNK-HRDYMLBCSA-N 1 0 241.291 -1.554 20 0 BAADRO CCC(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1O ZINC001076653348 711806893 /nfs/dbraw/zinc/80/68/93/711806893.db2.gz KHIVMFVDAFUUNK-IWSPIJDZSA-N 1 0 241.291 -1.554 20 0 BAADRO CCC(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@H]1O ZINC001076653594 711807303 /nfs/dbraw/zinc/80/73/03/711807303.db2.gz TXKATHPIPNJCMN-RKDXNWHRSA-N 1 0 243.307 -1.354 20 0 BAADRO CCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC)C[C@H]1O ZINC001076653780 711807218 /nfs/dbraw/zinc/80/72/18/711807218.db2.gz BLIJDNNQBYFAEH-DJLDLDEBSA-N 1 0 243.307 -1.308 20 0 BAADRO CCC(=O)N[C@@H]1CN([C@H](C)C(=O)NC)C[C@H]1O ZINC001076653781 711807163 /nfs/dbraw/zinc/80/71/63/711807163.db2.gz BLIJDNNQBYFAEH-IWSPIJDZSA-N 1 0 243.307 -1.308 20 0 BAADRO CCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001076654199 711806400 /nfs/dbraw/zinc/80/64/00/711806400.db2.gz LVTYJRCFDFBUIO-RKDXNWHRSA-N 1 0 216.281 -1.060 20 0 BAADRO CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1O ZINC001076656976 711807347 /nfs/dbraw/zinc/80/73/47/711807347.db2.gz PYZZNKFZCVRCFM-FTLITQJKSA-N 1 0 202.254 -1.452 20 0 BAADRO CC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1O ZINC001076656977 711807254 /nfs/dbraw/zinc/80/72/54/711807254.db2.gz PYZZNKFZCVRCFM-NBEYISGCSA-N 1 0 202.254 -1.452 20 0 BAADRO CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001076657097 711807307 /nfs/dbraw/zinc/80/73/07/711807307.db2.gz WCBDGJQQRKUJOC-RKDXNWHRSA-N 1 0 202.254 -1.450 20 0 BAADRO COCC[N@@H+]1C[C@@H](O)[C@H](NC(C)=O)C1 ZINC001076657152 711807383 /nfs/dbraw/zinc/80/73/83/711807383.db2.gz YWEIATZSLPFNBH-RKDXNWHRSA-N 1 0 202.254 -1.186 20 0 BAADRO C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 ZINC001076660692 711807936 /nfs/dbraw/zinc/80/79/36/711807936.db2.gz CIUOBIVSRVOFOP-FXBDTBDDSA-N 1 0 228.292 -1.062 20 0 BAADRO C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 ZINC001076660693 711807872 /nfs/dbraw/zinc/80/78/72/711807872.db2.gz CIUOBIVSRVOFOP-SZEHBUNVSA-N 1 0 228.292 -1.062 20 0 BAADRO O=C(N[C@@H]1C[N@H+](CCCO)C[C@H]1O)C1CC1 ZINC001076662425 711806839 /nfs/dbraw/zinc/80/68/39/711806839.db2.gz HOEMFTYJJLDXHV-NXEZZACHSA-N 1 0 228.292 -1.060 20 0 BAADRO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)C1CC1 ZINC001076662659 711807015 /nfs/dbraw/zinc/80/70/15/711807015.db2.gz QWAMJFRVYYUTQL-RKDXNWHRSA-N 1 0 214.265 -1.450 20 0 BAADRO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)C1CCC1 ZINC001076665236 711807803 /nfs/dbraw/zinc/80/78/03/711807803.db2.gz GVZWUGBXYCYLSZ-NXEZZACHSA-N 1 0 228.292 -1.060 20 0 BAADRO O=C(CC1CC1)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001076673091 711807983 /nfs/dbraw/zinc/80/79/83/711807983.db2.gz YCSNJSDFYHTGAE-NXEZZACHSA-N 1 0 228.292 -1.060 20 0 BAADRO CC(C)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001076752907 711808477 /nfs/dbraw/zinc/80/84/77/711808477.db2.gz ABNIFOSQKGSHCA-RKDXNWHRSA-N 1 0 216.281 -1.204 20 0 BAADRO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)[C@H]1CCOC1 ZINC001076793795 711809057 /nfs/dbraw/zinc/80/90/57/711809057.db2.gz MEQQWMRMEDDPBI-IVZWLZJFSA-N 1 0 244.291 -1.824 20 0 BAADRO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)[C@@H]1CCOC1 ZINC001076793796 711809173 /nfs/dbraw/zinc/80/91/73/711809173.db2.gz MEQQWMRMEDDPBI-OPRDCNLKSA-N 1 0 244.291 -1.824 20 0 BAADRO CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001076810730 711808987 /nfs/dbraw/zinc/80/89/87/711808987.db2.gz QFZLHMHDGIPKQO-IWSPIJDZSA-N 1 0 241.291 -1.554 20 0 BAADRO CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001077063428 711810166 /nfs/dbraw/zinc/81/01/66/711810166.db2.gz MMTATZWLXZNNDY-RKDXNWHRSA-N 1 0 239.279 -1.541 20 0 BAADRO CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001077283750 711811298 /nfs/dbraw/zinc/81/12/98/711811298.db2.gz SVXPKRXMDTYWNJ-RKDXNWHRSA-N 1 0 239.279 -1.010 20 0 BAADRO CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001077289260 711811517 /nfs/dbraw/zinc/81/15/17/711811517.db2.gz HIWUXFDHAXZCRL-RKDXNWHRSA-N 1 0 239.279 -1.012 20 0 BAADRO CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC001077496295 711843171 /nfs/dbraw/zinc/84/31/71/711843171.db2.gz POURNCYPKBCXKU-HTQZYQBOSA-N 1 0 239.279 -1.092 20 0 BAADRO CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001077513052 711845891 /nfs/dbraw/zinc/84/58/91/711845891.db2.gz XJANTNWFPXMOQJ-DJLDLDEBSA-N 1 0 241.291 -1.696 20 0 BAADRO CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001077513053 711845973 /nfs/dbraw/zinc/84/59/73/711845973.db2.gz XJANTNWFPXMOQJ-IWSPIJDZSA-N 1 0 241.291 -1.696 20 0 BAADRO C[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077516365 711846624 /nfs/dbraw/zinc/84/66/24/711846624.db2.gz GTHRHXVEJXODGJ-ZYUZMQFOSA-N 1 0 228.292 -1.204 20 0 BAADRO C[C@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077525119 711858080 /nfs/dbraw/zinc/85/80/80/711858080.db2.gz GTHRHXVEJXODGJ-AXTSPUMRSA-N 1 0 228.292 -1.204 20 0 BAADRO CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001077526567 711859335 /nfs/dbraw/zinc/85/93/35/711859335.db2.gz PMVRQQMXMPWOHK-RNFRBKRXSA-N 1 0 240.267 -1.995 20 0 BAADRO CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001077686379 711914554 /nfs/dbraw/zinc/91/45/54/711914554.db2.gz LLRFAAKSYZSHSO-BZNPZCIMSA-N 1 0 241.291 -1.711 20 0 BAADRO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)[C@@H]1CC12CC2 ZINC001077731934 711915559 /nfs/dbraw/zinc/91/55/59/711915559.db2.gz SHLHRUJHTIIQDR-IVZWLZJFSA-N 1 0 240.303 -1.060 20 0 BAADRO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)[C@H]1CC12CC2 ZINC001077731935 711915471 /nfs/dbraw/zinc/91/54/71/711915471.db2.gz SHLHRUJHTIIQDR-OPRDCNLKSA-N 1 0 240.303 -1.060 20 0 BAADRO CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001077833414 711931646 /nfs/dbraw/zinc/93/16/46/711931646.db2.gz JUJNUOLDDFOZOT-RKDXNWHRSA-N 1 0 239.279 -1.390 20 0 BAADRO CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001077861651 711934378 /nfs/dbraw/zinc/93/43/78/711934378.db2.gz QDVKMYSIFJEAKU-HTQZYQBOSA-N 1 0 239.279 -1.012 20 0 BAADRO CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001077861840 711934170 /nfs/dbraw/zinc/93/41/70/711934170.db2.gz YBENTNLDRBDMNG-RNFRBKRXSA-N 1 0 225.252 -1.401 20 0 BAADRO CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001077863729 711934126 /nfs/dbraw/zinc/93/41/26/711934126.db2.gz OVNKUIFSGODHAH-HTQZYQBOSA-N 1 0 239.279 -1.010 20 0 BAADRO CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001077976152 711936429 /nfs/dbraw/zinc/93/64/29/711936429.db2.gz DOSKUEPIQKTDGI-HTQZYQBOSA-N 1 0 239.279 -1.472 20 0 BAADRO CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001078034645 711939394 /nfs/dbraw/zinc/93/93/94/711939394.db2.gz QFZLHMHDGIPKQO-DJLDLDEBSA-N 1 0 241.291 -1.554 20 0 BAADRO CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cncn2)C1 ZINC001078142038 711940643 /nfs/dbraw/zinc/94/06/43/711940643.db2.gz DJCUUKCSYGOORT-RKDXNWHRSA-N 1 0 239.279 -1.541 20 0 BAADRO CC[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001078458411 711942067 /nfs/dbraw/zinc/94/20/67/711942067.db2.gz HMMDTQFCRSJMFS-MRVPVSSYSA-N 1 0 229.280 -1.301 20 0 BAADRO CC[NH2+]C[C@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001078458412 711942061 /nfs/dbraw/zinc/94/20/61/711942061.db2.gz HMMDTQFCRSJMFS-QMMMGPOBSA-N 1 0 229.280 -1.301 20 0 BAADRO NC(=O)C(=O)N[C@@H]1C[C@@H]([NH2+]CCO)C12CCC2 ZINC001078715367 711944802 /nfs/dbraw/zinc/94/48/02/711944802.db2.gz CXELGWNMRWZLFC-HTQZYQBOSA-N 1 0 241.291 -1.519 20 0 BAADRO NC(=O)C(=O)N[C@@H]1C[C@H]([NH2+]CCO)C12CCC2 ZINC001078715384 711944778 /nfs/dbraw/zinc/94/47/78/711944778.db2.gz CXELGWNMRWZLFC-JGVFFNPUSA-N 1 0 241.291 -1.519 20 0 BAADRO NC(=O)C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C12CCC2 ZINC001078715386 711944843 /nfs/dbraw/zinc/94/48/43/711944843.db2.gz CXELGWNMRWZLFC-SFYZADRCSA-N 1 0 241.291 -1.519 20 0 BAADRO NC(=O)C(=O)N[C@H]1C[C@H]([NH2+]CCO)C12CCC2 ZINC001078715387 711944908 /nfs/dbraw/zinc/94/49/08/711944908.db2.gz CXELGWNMRWZLFC-YUMQZZPRSA-N 1 0 241.291 -1.519 20 0 BAADRO C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1cn[nH]n1 ZINC001080029569 712352484 /nfs/dbraw/zinc/35/24/84/712352484.db2.gz GNMPOYGRCHYVLV-VXNVDRBHSA-N 1 0 239.279 -1.153 20 0 BAADRO C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001080368702 712352995 /nfs/dbraw/zinc/35/29/95/712352995.db2.gz AMBDLKWPAPKSOZ-BWZBUEFSSA-N 1 0 229.280 -1.711 20 0 BAADRO C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001080368703 712353361 /nfs/dbraw/zinc/35/33/61/712353361.db2.gz AMBDLKWPAPKSOZ-GJMOJQLCSA-N 1 0 229.280 -1.711 20 0 BAADRO CO[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001080368885 712352902 /nfs/dbraw/zinc/35/29/02/712352902.db2.gz FREIOOAKXHHLKD-HRDYMLBCSA-N 1 0 243.307 -1.057 20 0 BAADRO CO[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001080368886 712352868 /nfs/dbraw/zinc/35/28/68/712352868.db2.gz FREIOOAKXHHLKD-IWSPIJDZSA-N 1 0 243.307 -1.057 20 0 BAADRO COCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001080369301 712353376 /nfs/dbraw/zinc/35/33/76/712353376.db2.gz RICMDVAKARDACB-HTQZYQBOSA-N 1 0 229.280 -1.445 20 0 BAADRO COC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001080370618 712352962 /nfs/dbraw/zinc/35/29/62/712352962.db2.gz BCPPASQBEFXCFV-HRDYMLBCSA-N 1 0 243.307 -1.057 20 0 BAADRO COC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001080370619 712353139 /nfs/dbraw/zinc/35/31/39/712353139.db2.gz BCPPASQBEFXCFV-IWSPIJDZSA-N 1 0 243.307 -1.057 20 0 BAADRO C[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)C(N)=O ZINC001080370927 712353087 /nfs/dbraw/zinc/35/30/87/712353087.db2.gz PJLILVXWRXXVAI-HTQZYQBOSA-N 1 0 229.280 -1.709 20 0 BAADRO C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)C(N)=O ZINC001080370954 712352767 /nfs/dbraw/zinc/35/27/67/712352767.db2.gz QOTVNQPDSNNGIR-RNFRBKRXSA-N 1 0 215.253 -2.100 20 0 BAADRO C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1nnc[nH]1 ZINC001080641553 712353628 /nfs/dbraw/zinc/35/36/28/712353628.db2.gz KXYWTLVQOPTOPY-HTQZYQBOSA-N 1 0 239.279 -1.153 20 0 BAADRO