smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn2c(nnc2SCC(=O)[O-])[nH]c1=O ZINC000020395740 343634325 /nfs/dbraw/zinc/63/43/25/343634325.db2.gz XNTITBADROJXIX-UHFFFAOYSA-N -2 0 241.232 -0.290 20 0 BBADRL O=C([O-])CNC(=O)c1ccc(O)cc1O ZINC000022222995 590389139 /nfs/dbraw/zinc/38/91/39/590389139.db2.gz IZLLHQKSGPZTES-UHFFFAOYSA-N -2 0 211.173 -0.088 20 0 BBADRL COC(=O)[C@H](CC(=O)[O-])[N-]C(=O)C(F)(F)F ZINC000034118064 600243338 /nfs/dbraw/zinc/24/33/38/600243338.db2.gz OUDCCNCAFDBFQO-VKHMYHEASA-N -2 0 243.137 -0.319 20 0 BBADRL COC(=O)C[C@H]([N-]C(=O)C(F)(F)F)C(=O)[O-] ZINC000036468132 600243315 /nfs/dbraw/zinc/24/33/15/600243315.db2.gz SYZRIIGYHJLYDW-VKHMYHEASA-N -2 0 243.137 -0.319 20 0 BBADRL CCS(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] ZINC000037386114 342929038 /nfs/dbraw/zinc/92/90/38/342929038.db2.gz WVYHEVRREMUUHD-YFKPBYRVSA-N -2 0 239.249 -0.756 20 0 BBADRL 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CC[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)C(=O)[O-] ZINC000567027358 345516471 /nfs/dbraw/zinc/51/64/71/345516471.db2.gz NRIGEEGFOZBGGH-DSYKOEDSSA-N -2 0 245.231 -0.402 20 0 BBADRL CC(C)[C@@H](C(=O)[O-])C(=O)NCCC(=O)[O-] ZINC000568089487 326306398 /nfs/dbraw/zinc/30/63/98/326306398.db2.gz ZULFFHCTMFREBZ-SSDOTTSWSA-N -2 0 217.221 -0.066 20 0 BBADRL CC(C)[C@H](C(=O)[O-])C(=O)NCCC(=O)[O-] ZINC000568089488 326307201 /nfs/dbraw/zinc/30/72/01/326307201.db2.gz ZULFFHCTMFREBZ-ZETCQYMHSA-N -2 0 217.221 -0.066 20 0 BBADRL CC[C@@H](Nc1cnc(C(=O)[O-])cn1)C(=O)[O-] ZINC000568607346 411730279 /nfs/dbraw/zinc/73/02/79/411730279.db2.gz TWEMCGSCVIYXHW-RXMQYKEDSA-N -2 0 225.204 0.450 20 0 BBADRL C[C@H](NC(=O)C1(C(=O)[O-])CC1)C(=O)[O-] ZINC000569697482 323037472 /nfs/dbraw/zinc/03/74/72/323037472.db2.gz PKSBDTIQEOLEKP-BYPYZUCNSA-N -2 0 201.178 -0.560 20 0 BBADRL CC(C)[C@@H](C(=O)[O-])C(=O)N[C@@H](C)C(=O)[O-] ZINC000570632094 323065188 /nfs/dbraw/zinc/06/51/88/323065188.db2.gz AURABIOGQCZZAC-NTSWFWBYSA-N 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RADPDGURNUZUJP-LURJTMIESA-N -2 0 203.194 -0.456 20 0 BBADRL CC(C)[C@@H](C(=O)[O-])C(=O)NCC(=O)[O-] ZINC000571327188 323141495 /nfs/dbraw/zinc/14/14/95/323141495.db2.gz RADPDGURNUZUJP-ZCFIWIBFSA-N -2 0 203.194 -0.456 20 0 BBADRL Cc1nc(=NC[C@@](C)(O)C(=O)[O-])s[n-]1 ZINC000573210790 388432241 /nfs/dbraw/zinc/43/22/41/388432241.db2.gz XABXSKPHYAWYBW-SSDOTTSWSA-N -2 0 217.250 -0.484 20 0 BBADRL Cc1nc(=NC[C@](C)(O)C(=O)[O-])s[n-]1 ZINC000573210791 388432918 /nfs/dbraw/zinc/43/29/18/388432918.db2.gz XABXSKPHYAWYBW-ZETCQYMHSA-N -2 0 217.250 -0.484 20 0 BBADRL Cc1onc(N)c1S(=O)(=O)NCCC(=O)[O-] ZINC000576276873 411935311 /nfs/dbraw/zinc/93/53/11/411935311.db2.gz CTYZIQYRFFZPSR-UHFFFAOYSA-N -2 0 249.248 -0.682 20 0 BBADRL C[C@@H](C(=O)[O-])C(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000576992674 365745968 /nfs/dbraw/zinc/74/59/68/365745968.db2.gz YKQOKGSCOKIPAE-RXMQYKEDSA-N -2 0 242.235 -0.720 20 0 BBADRL C[C@H](C(=O)[O-])C(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000576992675 365745871 /nfs/dbraw/zinc/74/58/71/365745871.db2.gz YKQOKGSCOKIPAE-YFKPBYRVSA-N -2 0 242.235 -0.720 20 0 BBADRL O=C([O-])CCCNC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000577219716 365887115 /nfs/dbraw/zinc/88/71/15/365887115.db2.gz VKWBIDRPKWJKHZ-SSDOTTSWSA-N -2 0 244.247 -0.033 20 0 BBADRL O=C([O-])CCCNC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000577219717 365887317 /nfs/dbraw/zinc/88/73/17/365887317.db2.gz VKWBIDRPKWJKHZ-ZETCQYMHSA-N -2 0 244.247 -0.033 20 0 BBADRL COCc1nc(=NC[C@@](C)(O)C(=O)[O-])s[n-]1 ZINC000577876181 366094137 /nfs/dbraw/zinc/09/41/37/366094137.db2.gz ORGAGRCBVDCHQL-MRVPVSSYSA-N -2 0 247.276 -0.646 20 0 BBADRL COCc1nc(=NC[C@](C)(O)C(=O)[O-])s[n-]1 ZINC000577876182 366094370 /nfs/dbraw/zinc/09/43/70/366094370.db2.gz ORGAGRCBVDCHQL-QMMMGPOBSA-N -2 0 247.276 -0.646 20 0 BBADRL O=C([O-])CCCNC(=O)C1(C(=O)[O-])CC1 ZINC000578016781 366182215 /nfs/dbraw/zinc/18/22/15/366182215.db2.gz KIPHIHIKZISTQH-UHFFFAOYSA-N -2 0 215.205 -0.168 20 0 BBADRL COCc1nsc(NC([O-])=C(C)C(=O)[O-])n1 ZINC000579230088 366739233 /nfs/dbraw/zinc/73/92/33/366739233.db2.gz AGQCYQHXTQKDJJ-BYPYZUCNSA-N -2 0 245.260 -0.234 20 0 BBADRL COCc1nsc(NC([O-])=C(C)C(=O)[O-])n1 ZINC000579230089 366739431 /nfs/dbraw/zinc/73/94/31/366739431.db2.gz AGQCYQHXTQKDJJ-SCSAIBSYSA-N -2 0 245.260 -0.234 20 0 BBADRL C[C@@H](CN(C)C(=O)CSCC(=O)[O-])C(=O)[O-] ZINC000579473581 366821425 /nfs/dbraw/zinc/82/14/25/366821425.db2.gz ARDGRBFZQHIXHC-LURJTMIESA-N -2 0 249.288 -0.017 20 0 BBADRL C[C@H](CN(C)C(=O)CSCC(=O)[O-])C(=O)[O-] ZINC000579473582 366820635 /nfs/dbraw/zinc/82/06/35/366820635.db2.gz ARDGRBFZQHIXHC-ZCFIWIBFSA-N -2 0 249.288 -0.017 20 0 BBADRL CC[C@@H](NC(=O)[C@H](C)C(=O)[O-])C(=O)[O-] ZINC000581429690 367468053 /nfs/dbraw/zinc/46/80/53/367468053.db2.gz XLFBPSSUOZWJKR-CRCLSJGQSA-N -2 0 203.194 -0.314 20 0 BBADRL CC[C@@H](NC(=O)[C@@H](C)C(=O)[O-])C(=O)[O-] ZINC000581429691 367466621 /nfs/dbraw/zinc/46/66/21/367466621.db2.gz XLFBPSSUOZWJKR-RFZPGFLSSA-N -2 0 203.194 -0.314 20 0 BBADRL CC(C)[C@@H](C(=O)[O-])C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000582241710 356671903 /nfs/dbraw/zinc/67/19/03/356671903.db2.gz GOACNDGFUSROLH-LDWIPMOCSA-N -2 0 247.247 -0.705 20 0 BBADRL CC(C)[C@@H](C(=O)[O-])C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000582241711 356671647 /nfs/dbraw/zinc/67/16/47/356671647.db2.gz GOACNDGFUSROLH-LHLIQPBNSA-N -2 0 247.247 -0.705 20 0 BBADRL CC(C)[C@H](C(=O)[O-])C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000582241712 356671948 /nfs/dbraw/zinc/67/19/48/356671948.db2.gz GOACNDGFUSROLH-QUBYGPBYSA-N -2 0 247.247 -0.705 20 0 BBADRL CC(C)[C@H](C(=O)[O-])C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000582241713 356671915 /nfs/dbraw/zinc/67/19/15/356671915.db2.gz GOACNDGFUSROLH-WKEGUHRASA-N -2 0 247.247 -0.705 20 0 BBADRL CC(C)[C@@H](C(=O)[O-])C(=O)N[C@H](C)C(=O)[O-] ZINC000583564676 355647085 /nfs/dbraw/zinc/64/70/85/355647085.db2.gz AURABIOGQCZZAC-PHDIDXHHSA-N -2 0 217.221 -0.068 20 0 BBADRL CC(C)[C@H](C(=O)[O-])C(=O)N[C@H](C)C(=O)[O-] ZINC000583564677 355646917 /nfs/dbraw/zinc/64/69/17/355646917.db2.gz AURABIOGQCZZAC-RITPCOANSA-N -2 0 217.221 -0.068 20 0 BBADRL CC[C@@H](NC(=O)C1(C(=O)[O-])CC1)C(=O)[O-] ZINC000584235374 343777113 /nfs/dbraw/zinc/77/71/13/343777113.db2.gz QUTQCOSQQSPHGV-RXMQYKEDSA-N -2 0 215.205 -0.169 20 0 BBADRL CC[C@H](NC(=O)CSCC(=O)[O-])C(=O)[O-] ZINC000592379840 347772223 /nfs/dbraw/zinc/77/22/23/347772223.db2.gz PQEYYIORFYDJMK-YFKPBYRVSA-N -2 0 235.261 -0.216 20 0 BBADRL C[C@H](CNC(=O)CSCC(=O)[O-])C(=O)[O-] ZINC000594460686 348060439 /nfs/dbraw/zinc/06/04/39/348060439.db2.gz SNWSNHKZOHVPHY-RXMQYKEDSA-N -2 0 235.261 -0.359 20 0 BBADRL C[C@@H](CNC(=O)CSCC(=O)[O-])C(=O)[O-] ZINC000594460687 348060372 /nfs/dbraw/zinc/06/03/72/348060372.db2.gz SNWSNHKZOHVPHY-YFKPBYRVSA-N -2 0 235.261 -0.359 20 0 BBADRL COc1n[nH]c(NC(=O)c2cc(=O)n(C)[n-]2)n1 ZINC000613195393 360687833 /nfs/dbraw/zinc/68/78/33/360687833.db2.gz HBOOSFSIUOZRRR-UHFFFAOYSA-N -2 0 238.207 -0.495 20 0 BBADRL O=C([O-])CCCCNC(=O)N1CC(C(=O)[O-])C1 ZINC000621835836 370555455 /nfs/dbraw/zinc/55/54/55/370555455.db2.gz NZXALRBRUQHUJO-UHFFFAOYSA-N -2 0 244.247 -0.033 20 0 BBADRL O=C([O-])CCCNC(=O)N1CC(C(=O)[O-])C1 ZINC000621835918 370556113 /nfs/dbraw/zinc/55/61/13/370556113.db2.gz QHVXNERBDMSGQF-UHFFFAOYSA-N -2 0 230.220 -0.423 20 0 BBADRL O=C([O-])CCNC(=O)N1CC(C(=O)[O-])C1 ZINC000621836084 370556308 /nfs/dbraw/zinc/55/63/08/370556308.db2.gz WXXRBMOBSCGKAA-UHFFFAOYSA-N -2 0 216.193 -0.813 20 0 BBADRL C[C@H](CNC(=O)N1CC(C(=O)[O-])C1)C(=O)[O-] ZINC000621836301 370556351 /nfs/dbraw/zinc/55/63/51/370556351.db2.gz CWJZLSMOJWUQMC-RXMQYKEDSA-N -2 0 230.220 -0.567 20 0 BBADRL C[C@@H](CNC(=O)N1CC(C(=O)[O-])C1)C(=O)[O-] ZINC000621836302 370556452 /nfs/dbraw/zinc/55/64/52/370556452.db2.gz CWJZLSMOJWUQMC-YFKPBYRVSA-N -2 0 230.220 -0.567 20 0 BBADRL Cn1[n-]nnc1=NCc1ccc(CC(=O)[O-])cc1 ZINC000629382913 361031022 /nfs/dbraw/zinc/03/10/22/361031022.db2.gz SXHITMUHDUPDSJ-UHFFFAOYSA-N -2 0 247.258 -0.129 20 0 BBADRL COCc1nsc(=NCCOCC(=O)[O-])[n-]1 ZINC000634964816 345139845 /nfs/dbraw/zinc/13/98/45/345139845.db2.gz OEIGXYSZKPMHIO-UHFFFAOYSA-N -2 0 247.276 -0.381 20 0 BBADRL O=C([O-])[C@@H](C1CC1)N1CCO[C@@H](C(=O)[O-])C1 ZINC000635015263 345219755 /nfs/dbraw/zinc/21/97/55/345219755.db2.gz MRAFRKXJTDLJBN-HTQZYQBOSA-N -2 0 229.232 -0.365 20 0 BBADRL O=C([O-])[C@@H](C1CC1)N1CCO[C@H](C(=O)[O-])C1 ZINC000635015267 345220253 /nfs/dbraw/zinc/22/02/53/345220253.db2.gz MRAFRKXJTDLJBN-JGVFFNPUSA-N -2 0 229.232 -0.365 20 0 BBADRL O=C([O-])[C@H](C1CC1)N1CCO[C@@H](C(=O)[O-])C1 ZINC000635015268 345220198 /nfs/dbraw/zinc/22/01/98/345220198.db2.gz MRAFRKXJTDLJBN-SFYZADRCSA-N -2 0 229.232 -0.365 20 0 BBADRL O=C([O-])[C@H](C1CC1)N1CCO[C@H](C(=O)[O-])C1 ZINC000635015270 345219725 /nfs/dbraw/zinc/21/97/25/345219725.db2.gz MRAFRKXJTDLJBN-YUMQZZPRSA-N -2 0 229.232 -0.365 20 0 BBADRL COCc1nc(=NC(=O)CCC(=O)[O-])s[n-]1 ZINC000647198960 384866304 /nfs/dbraw/zinc/86/63/04/384866304.db2.gz FWCPAYKWDHSYER-UHFFFAOYSA-N -2 0 245.260 -0.090 20 0 BBADRL C[C@H](C(=O)[O-])C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000647219469 384094208 /nfs/dbraw/zinc/09/42/08/384094208.db2.gz FRJVLMSRLHVTNI-NTSWFWBYSA-N -2 0 231.204 -0.981 20 0 BBADRL C[C@@H](C(=O)[O-])C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000647219470 384094154 /nfs/dbraw/zinc/09/41/54/384094154.db2.gz FRJVLMSRLHVTNI-PHDIDXHHSA-N -2 0 231.204 -0.981 20 0 BBADRL C[C@@H](C(=O)[O-])C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000647219471 384092872 /nfs/dbraw/zinc/09/28/72/384092872.db2.gz FRJVLMSRLHVTNI-RITPCOANSA-N -2 0 231.204 -0.981 20 0 BBADRL C[C@H](C(=O)[O-])C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000647219472 384092925 /nfs/dbraw/zinc/09/29/25/384092925.db2.gz FRJVLMSRLHVTNI-WDSKDSINSA-N -2 0 231.204 -0.981 20 0 BBADRL CC[C@H](NC(=O)[C@@H](C)C(=O)[O-])C(=O)[O-] ZINC000647256564 384044680 /nfs/dbraw/zinc/04/46/80/384044680.db2.gz XLFBPSSUOZWJKR-UHNVWZDZSA-N -2 0 203.194 -0.314 20 0 BBADRL CC[C@H](NC(=O)[C@H](C)C(=O)[O-])C(=O)[O-] ZINC000647256565 384045259 /nfs/dbraw/zinc/04/52/59/384045259.db2.gz 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ZINC000663021092 412374200 /nfs/dbraw/zinc/37/42/00/412374200.db2.gz IRXVVNHGGWQKBJ-SECBINFHSA-N -2 0 215.205 -0.312 20 0 BBADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCC(=O)[O-] ZINC000663021094 412373326 /nfs/dbraw/zinc/37/33/26/412373326.db2.gz IRXVVNHGGWQKBJ-VIFPVBQESA-N -2 0 215.205 -0.312 20 0 BBADRL C[C@@H](NC(=O)[C@H](C(=O)[O-])C1CC1)C(=O)[O-] ZINC000663021156 412373822 /nfs/dbraw/zinc/37/38/22/412373822.db2.gz KIRKECTZWYKBDH-INEUFUBQSA-N -2 0 215.205 -0.314 20 0 BBADRL C[C@H](NC(=O)[C@@H](C(=O)[O-])C1CC1)C(=O)[O-] ZINC000663021157 412373700 /nfs/dbraw/zinc/37/37/00/412373700.db2.gz KIRKECTZWYKBDH-NJGYIYPDSA-N -2 0 215.205 -0.314 20 0 BBADRL C[C@H](NC(=O)[C@H](C(=O)[O-])C1CC1)C(=O)[O-] ZINC000663021158 412373807 /nfs/dbraw/zinc/37/38/07/412373807.db2.gz KIRKECTZWYKBDH-UJURSFKZSA-N -2 0 215.205 -0.314 20 0 BBADRL C[C@@H](NC(=O)[C@@H](C(=O)[O-])C1CC1)C(=O)[O-] ZINC000663021159 412373943 /nfs/dbraw/zinc/37/39/43/412373943.db2.gz KIRKECTZWYKBDH-XINAWCOVSA-N -2 0 215.205 -0.314 20 0 BBADRL C[C@@H](NC(=O)C1(C(=O)[O-])CCC1)C(=O)[O-] ZINC000663021436 412373889 /nfs/dbraw/zinc/37/38/89/412373889.db2.gz OEYQTDDWVUFGAM-RXMQYKEDSA-N -2 0 215.205 -0.169 20 0 BBADRL C[C@H](NC(=O)C1(C(=O)[O-])CCC1)C(=O)[O-] ZINC000663021437 412373509 /nfs/dbraw/zinc/37/35/09/412373509.db2.gz OEYQTDDWVUFGAM-YFKPBYRVSA-N -2 0 215.205 -0.169 20 0 BBADRL C[C@H](NC(=O)C1(C(=O)[O-])CC=CC1)C(=O)[O-] ZINC000663021442 412374027 /nfs/dbraw/zinc/37/40/27/412374027.db2.gz OLAPKPLDDMHRHC-LURJTMIESA-N -2 0 227.216 -0.003 20 0 BBADRL C[C@@H](NC(=O)C1(C(=O)[O-])CC=CC1)C(=O)[O-] ZINC000663021443 412373592 /nfs/dbraw/zinc/37/35/92/412373592.db2.gz OLAPKPLDDMHRHC-ZCFIWIBFSA-N -2 0 227.216 -0.003 20 0 BBADRL O=C([O-])CNC(=O)C1(C(=O)[O-])CCC1 ZINC000663021544 412373478 /nfs/dbraw/zinc/37/34/78/412373478.db2.gz PMNKERGBECUOTD-UHFFFAOYSA-N -2 0 201.178 -0.558 20 0 BBADRL CO[C@@](C)(C(=O)[O-])C(=O)NCCCC(=O)[O-] ZINC000663021641 412373733 /nfs/dbraw/zinc/37/37/33/412373733.db2.gz RQXPZTIHRGPNTC-SECBINFHSA-N -2 0 233.220 -0.543 20 0 BBADRL CO[C@](C)(C(=O)[O-])C(=O)NCCCC(=O)[O-] ZINC000663021642 412373896 /nfs/dbraw/zinc/37/38/96/412373896.db2.gz RQXPZTIHRGPNTC-VIFPVBQESA-N -2 0 233.220 -0.543 20 0 BBADRL O=C([O-])CCNC(=O)C1(C(=O)[O-])CCC1 ZINC000663021747 490295098 /nfs/dbraw/zinc/29/50/98/490295098.db2.gz UNQPMVDAAMNMMK-UHFFFAOYSA-N -2 0 215.205 -0.168 20 0 BBADRL O=C([O-])CCNC(=O)[C@H](C(=O)[O-])C1CC1 ZINC000663021800 412373431 /nfs/dbraw/zinc/37/34/31/412373431.db2.gz WAICNFXHCAEKGA-SSDOTTSWSA-N -2 0 215.205 -0.312 20 0 BBADRL O=C([O-])CCNC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC000663021801 412373574 /nfs/dbraw/zinc/37/35/74/412373574.db2.gz WAICNFXHCAEKGA-ZETCQYMHSA-N -2 0 215.205 -0.312 20 0 BBADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)NCC(=O)[O-] ZINC000663021803 412373811 /nfs/dbraw/zinc/37/38/11/412373811.db2.gz WBKBQNQMWBLWFA-LURJTMIESA-N -2 0 217.221 -0.066 20 0 BBADRL CC(C)(C)[C@@H](C(=O)[O-])C(=O)NCC(=O)[O-] ZINC000663021804 412373377 /nfs/dbraw/zinc/37/33/77/412373377.db2.gz WBKBQNQMWBLWFA-ZCFIWIBFSA-N -2 0 217.221 -0.066 20 0 BBADRL CO[C@@](C)(C(=O)[O-])C(=O)NCCC(=O)[O-] ZINC000663021971 412374124 /nfs/dbraw/zinc/37/41/24/412374124.db2.gz YRHZORQLMMFFSE-MRVPVSSYSA-N -2 0 219.193 -0.933 20 0 BBADRL CO[C@](C)(C(=O)[O-])C(=O)NCCC(=O)[O-] ZINC000663021972 412372962 /nfs/dbraw/zinc/37/29/62/412372962.db2.gz YRHZORQLMMFFSE-QMMMGPOBSA-N -2 0 219.193 -0.933 20 0 BBADRL CO[C@](C)(C(=O)[O-])C(=O)N[C@@H](C)C(=O)[O-] ZINC000663021989 412370691 /nfs/dbraw/zinc/37/06/91/412370691.db2.gz ZLTQBCBWUFKPKQ-NVNXEXLPSA-N -2 0 219.193 -0.935 20 0 BBADRL CO[C@@](C)(C(=O)[O-])C(=O)N[C@@H](C)C(=O)[O-] ZINC000663021990 412370781 /nfs/dbraw/zinc/37/07/81/412370781.db2.gz ZLTQBCBWUFKPKQ-RNHFCUEFSA-N -2 0 219.193 -0.935 20 0 BBADRL CO[C@@](C)(C(=O)[O-])C(=O)N[C@H](C)C(=O)[O-] ZINC000663021991 412370735 /nfs/dbraw/zinc/37/07/35/412370735.db2.gz ZLTQBCBWUFKPKQ-SPGJFGJESA-N -2 0 219.193 -0.935 20 0 BBADRL CO[C@](C)(C(=O)[O-])C(=O)N[C@H](C)C(=O)[O-] ZINC000663021992 412371284 /nfs/dbraw/zinc/37/12/84/412371284.db2.gz ZLTQBCBWUFKPKQ-VHWMUFPASA-N -2 0 219.193 -0.935 20 0 BBADRL CO[C@@](C)(C(=O)[O-])C(=O)N(C)CCC(=O)[O-] ZINC000663022010 491123461 /nfs/dbraw/zinc/12/34/61/491123461.db2.gz CUXYJEZSJQJWQD-SECBINFHSA-N -2 0 233.220 -0.591 20 0 BBADRL CO[C@](C)(C(=O)[O-])C(=O)N(C)CCC(=O)[O-] ZINC000663022011 491123452 /nfs/dbraw/zinc/12/34/52/491123452.db2.gz CUXYJEZSJQJWQD-VIFPVBQESA-N -2 0 233.220 -0.591 20 0 BBADRL CO[C@](C)(C(=O)[O-])C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000663022310 412373529 /nfs/dbraw/zinc/37/35/29/412373529.db2.gz HRVHJNQQMSCSNW-LDWIPMOCSA-N -2 0 245.231 -0.591 20 0 BBADRL CO[C@@](C)(C(=O)[O-])C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000663022311 412373311 /nfs/dbraw/zinc/37/33/11/412373311.db2.gz HRVHJNQQMSCSNW-LHLIQPBNSA-N -2 0 245.231 -0.591 20 0 BBADRL CO[C@@](C)(C(=O)[O-])C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000663022313 412373449 /nfs/dbraw/zinc/37/34/49/412373449.db2.gz HRVHJNQQMSCSNW-QUBYGPBYSA-N -2 0 245.231 -0.591 20 0 BBADRL CO[C@](C)(C(=O)[O-])C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000663022314 487816713 /nfs/dbraw/zinc/81/67/13/487816713.db2.gz HRVHJNQQMSCSNW-WKEGUHRASA-N -2 0 245.231 -0.591 20 0 BBADRL CC[C@@H](NC(=O)[C@](C)(OC)C(=O)[O-])C(=O)[O-] ZINC000663024068 490299507 /nfs/dbraw/zinc/29/95/07/490299507.db2.gz QJCFFWCFRFGDPP-ANLVUFKYSA-N -2 0 233.220 -0.545 20 0 BBADRL CC[C@@H](NC(=O)[C@@](C)(OC)C(=O)[O-])C(=O)[O-] ZINC000663024069 490299541 /nfs/dbraw/zinc/29/95/41/490299541.db2.gz QJCFFWCFRFGDPP-MLUIRONXSA-N -2 0 233.220 -0.545 20 0 BBADRL C[C@](O)(CNC(=O)[C@H](C(=O)[O-])C1CC1)C(=O)[O-] ZINC000663024636 412374955 /nfs/dbraw/zinc/37/49/55/412374955.db2.gz BBLLLQNNOQHDBK-LDWIPMOCSA-N -2 0 245.231 -0.951 20 0 BBADRL C[C@@](O)(CNC(=O)[C@H](C(=O)[O-])C1CC1)C(=O)[O-] ZINC000663024637 412374881 /nfs/dbraw/zinc/37/48/81/412374881.db2.gz BBLLLQNNOQHDBK-LHLIQPBNSA-N -2 0 245.231 -0.951 20 0 BBADRL C[C@@](O)(CNC(=O)[C@@H](C(=O)[O-])C1CC1)C(=O)[O-] ZINC000663024638 412374871 /nfs/dbraw/zinc/37/48/71/412374871.db2.gz BBLLLQNNOQHDBK-QUBYGPBYSA-N -2 0 245.231 -0.951 20 0 BBADRL C[C@](O)(CNC(=O)[C@@H](C(=O)[O-])C1CC1)C(=O)[O-] ZINC000663024639 412374638 /nfs/dbraw/zinc/37/46/38/412374638.db2.gz BBLLLQNNOQHDBK-WKEGUHRASA-N -2 0 245.231 -0.951 20 0 BBADRL C[C@@](O)(CNC(=O)C1(C(=O)[O-])CCC1)C(=O)[O-] ZINC000663025053 412374736 /nfs/dbraw/zinc/37/47/36/412374736.db2.gz HFUBRAMBIRAINU-SECBINFHSA-N -2 0 245.231 -0.807 20 0 BBADRL C[C@](O)(CNC(=O)C1(C(=O)[O-])CCC1)C(=O)[O-] ZINC000663025054 412374869 /nfs/dbraw/zinc/37/48/69/412374869.db2.gz HFUBRAMBIRAINU-VIFPVBQESA-N -2 0 245.231 -0.807 20 0 BBADRL C[C@H](C(=O)[O-])C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000663025926 412374675 /nfs/dbraw/zinc/37/46/75/412374675.db2.gz CWQDJIWHISVKLB-NTSWFWBYSA-N -2 0 231.204 -0.981 20 0 BBADRL C[C@@H](C(=O)[O-])C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000663025928 412374768 /nfs/dbraw/zinc/37/47/68/412374768.db2.gz CWQDJIWHISVKLB-PHDIDXHHSA-N -2 0 231.204 -0.981 20 0 BBADRL C[C@@H](C(=O)[O-])C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000663025930 412374976 /nfs/dbraw/zinc/37/49/76/412374976.db2.gz CWQDJIWHISVKLB-RITPCOANSA-N -2 0 231.204 -0.981 20 0 BBADRL C[C@H](C(=O)[O-])C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000663025931 412374854 /nfs/dbraw/zinc/37/48/54/412374854.db2.gz CWQDJIWHISVKLB-WDSKDSINSA-N -2 0 231.204 -0.981 20 0 BBADRL CCCN(CC(=O)[O-])C(=O)[C@](C)(OC)C(=O)[O-] ZINC000663026920 412374906 /nfs/dbraw/zinc/37/49/06/412374906.db2.gz QPJOOLJPODEKME-JTQLQIEISA-N -2 0 247.247 -0.201 20 0 BBADRL CCCN(CC(=O)[O-])C(=O)[C@@](C)(OC)C(=O)[O-] ZINC000663026925 412374892 /nfs/dbraw/zinc/37/48/92/412374892.db2.gz QPJOOLJPODEKME-SNVBAGLBSA-N -2 0 247.247 -0.201 20 0 BBADRL O=C([O-])CCC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000663027550 412374957 /nfs/dbraw/zinc/37/49/57/412374957.db2.gz NNXFGNGKVAQVIL-LURJTMIESA-N -2 0 231.204 -0.837 20 0 BBADRL O=C([O-])CCC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000663027552 412374697 /nfs/dbraw/zinc/37/46/97/412374697.db2.gz NNXFGNGKVAQVIL-ZCFIWIBFSA-N -2 0 231.204 -0.837 20 0 BBADRL CO[C@](C)(C(=O)[O-])C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000663053920 412377616 /nfs/dbraw/zinc/37/76/16/412377616.db2.gz HIGMKYMAPDFPMP-LDWIPMOCSA-N -2 0 247.247 -0.345 20 0 BBADRL CO[C@@](C)(C(=O)[O-])C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000663054011 412377478 /nfs/dbraw/zinc/37/74/78/412377478.db2.gz HIGMKYMAPDFPMP-LHLIQPBNSA-N -2 0 247.247 -0.345 20 0 BBADRL CO[C@@](C)(C(=O)[O-])C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000663054012 412377448 /nfs/dbraw/zinc/37/74/48/412377448.db2.gz HIGMKYMAPDFPMP-QUBYGPBYSA-N -2 0 247.247 -0.345 20 0 BBADRL CO[C@](C)(C(=O)[O-])C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000663054013 412377220 /nfs/dbraw/zinc/37/72/20/412377220.db2.gz HIGMKYMAPDFPMP-WKEGUHRASA-N -2 0 247.247 -0.345 20 0 BBADRL CC[C@H](NC(=O)[C@](C)(OC)C(=O)[O-])C(=O)[O-] ZINC000663060909 412377344 /nfs/dbraw/zinc/37/73/44/412377344.db2.gz QJCFFWCFRFGDPP-CDUCUWFYSA-N -2 0 233.220 -0.545 20 0 BBADRL CC[C@H](NC(=O)[C@@](C)(OC)C(=O)[O-])C(=O)[O-] ZINC000663060910 412377492 /nfs/dbraw/zinc/37/74/92/412377492.db2.gz QJCFFWCFRFGDPP-SSDLBLMSSA-N -2 0 233.220 -0.545 20 0 BBADRL 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