smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1C[C@H](O)C[N@@H+]1Cc1c([O-])ccc(F)c1Cl ZINC001237122477 808194261 /nfs/dbraw/zinc/19/42/61/808194261.db2.gz UZCWXDLSLZRVGL-SFYZADRCSA-N -1 1 259.708 2.140 20 10 CECDMM O=C1C[C@@H]2COC[C@H](C1)N2Cc1cc(F)c(Cl)cc1[O-] ZINC001237939347 808266504 /nfs/dbraw/zinc/26/65/04/808266504.db2.gz AVBRLWVOBTXPLO-AOOOYVTPSA-N -1 1 299.729 2.117 20 10 CECDMM CCOC(=O)[C@@H]1CSCCN1Cc1c([O-])cccc1F ZINC001137839497 815694533 /nfs/dbraw/zinc/69/45/33/815694533.db2.gz AEUXKQGRAYGVSQ-LBPRGKRZSA-N -1 1 299.367 2.012 20 10 CECDMM COCc1noc2c1CN(Cc1cccc(F)c1[O-])CC2 ZINC001138125528 815733211 /nfs/dbraw/zinc/73/32/11/815733211.db2.gz RNZXMDIMIVCDAC-UHFFFAOYSA-N -1 1 292.310 2.224 20 10 CECDMM O=C1CCN(Cc2cccc(F)c2[O-])CC[C@H]1F ZINC001138124090 815733696 /nfs/dbraw/zinc/73/36/96/815733696.db2.gz YYRNKMLNDLAJDJ-SNVBAGLBSA-N -1 1 255.264 2.034 20 10 CECDMM O=C(c1cccc([O-])c1F)N1Cc2cccc(O)c2C1 ZINC001175038683 816127791 /nfs/dbraw/zinc/12/77/91/816127791.db2.gz SMAUEQACGOUHQT-UHFFFAOYSA-N -1 1 273.263 2.393 20 10 CECDMM C[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])[C@@H](C)CO1 ZINC001142531425 816682337 /nfs/dbraw/zinc/68/23/37/816682337.db2.gz XDIUQMPKEJYBBX-DTWKUNHWSA-N -1 1 257.280 2.280 20 10 CECDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)c1[O-] ZINC000178897949 344504515 /nfs/dbraw/zinc/50/45/15/344504515.db2.gz QUYFZZDENRIZTC-SECBINFHSA-N -1 1 297.738 2.155 20 10 CECDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)c1[O-] ZINC000178897949 344504516 /nfs/dbraw/zinc/50/45/16/344504516.db2.gz QUYFZZDENRIZTC-SECBINFHSA-N -1 1 297.738 2.155 20 10 CECDMM CO[C@H](C)C[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000289943281 395091798 /nfs/dbraw/zinc/09/17/98/395091798.db2.gz XIDVHJBIPPVPIX-MRVPVSSYSA-N -1 1 288.731 2.421 20 10 CECDMM [O-]c1c(Cl)cccc1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000368800346 267206019 /nfs/dbraw/zinc/20/60/19/267206019.db2.gz NLNAAKHSVSYBPO-LLVKDONJSA-N -1 1 253.729 2.002 20 10 CECDMM CO[C@]1(C)C[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C1(C)C ZINC000276610541 521758009 /nfs/dbraw/zinc/75/80/09/521758009.db2.gz PNLOPYSXZDKXGE-MEBBXXQBSA-N -1 1 297.326 2.170 20 10 CECDMM O=C(NCc1cccc(Br)c1[O-])C1CC1 ZINC000277612343 526711153 /nfs/dbraw/zinc/71/11/53/526711153.db2.gz VJLCUWXCTVCLLA-UHFFFAOYSA-N -1 1 270.126 2.181 20 10 CECDMM CC(C)[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])C(=O)[O-] ZINC000043429896 598193343 /nfs/dbraw/zinc/19/33/43/598193343.db2.gz NOAPZMYVHSOBDG-NSHDSACASA-N -1 1 257.717 2.244 20 10 CECDMM CC[C@@](C)(CC(=O)[O-])[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000828664623 602217015 /nfs/dbraw/zinc/21/70/15/602217015.db2.gz DCGHVWMBOFNOOL-HNNXBMFYSA-N -1 1 297.326 2.467 20 10 CECDMM C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@H]1C(=O)[O-] ZINC000833629707 605247515 /nfs/dbraw/zinc/24/75/15/605247515.db2.gz LOOUTVMDJPUMCX-GMSGAONNSA-N -1 1 287.718 2.337 20 10 CECDMM O=C(CCCn1cccn1)NCc1cccc(Cl)c1[O-] ZINC000890757297 622928669 /nfs/dbraw/zinc/92/86/69/622928669.db2.gz BKBHFHQCTLVXPQ-UHFFFAOYSA-N -1 1 293.754 2.339 20 10 CECDMM C[C@@H]1C[C@H](C(=O)NCc2cccc(Cl)c2[O-])CCO1 ZINC000890760108 622930126 /nfs/dbraw/zinc/93/01/26/622930126.db2.gz IHJVQBBCIZUNPH-NXEZZACHSA-N -1 1 283.755 2.477 20 10 CECDMM C[C@@H]1OCC[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760518 622931260 /nfs/dbraw/zinc/93/12/60/622931260.db2.gz RTAOOWCKZVAGGT-WPRPVWTQSA-N -1 1 269.728 2.087 20 10 CECDMM C[C@H]1OCC[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760516 622931399 /nfs/dbraw/zinc/93/13/99/622931399.db2.gz RTAOOWCKZVAGGT-SCZZXKLOSA-N -1 1 269.728 2.087 20 10 CECDMM CCOC(=O)[C@@H](CC)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890761502 622933630 /nfs/dbraw/zinc/93/36/30/622933630.db2.gz UFHXNMSYJHGSKI-JTQLQIEISA-N -1 1 299.754 2.251 20 10 CECDMM CCO[C@H]1[C@H](C(=O)NCc2cccc(Cl)c2[O-])[C@@H]1C ZINC000890762462 622934791 /nfs/dbraw/zinc/93/47/91/622934791.db2.gz DGKFYVMRJGVURZ-RLCGTCKNSA-N -1 1 283.755 2.333 20 10 CECDMM Cc1cnc(SCC(=O)c2ccc([O-])c(O)c2)nc1 ZINC000048353397 623302531 /nfs/dbraw/zinc/30/25/31/623302531.db2.gz BYWNRFAAILOIAP-UHFFFAOYSA-N -1 1 276.317 2.171 20 10 CECDMM C[C@H]1COCC[C@H]1NC(=O)NCc1cccc(Cl)c1[O-] ZINC000894447914 629466754 /nfs/dbraw/zinc/46/67/54/629466754.db2.gz JCVCNOWOOWTYDV-JOYOIKCWSA-N -1 1 298.770 2.270 20 10 CECDMM COC[C@H]1C[C@@H](NC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000896450794 630563822 /nfs/dbraw/zinc/56/38/22/630563822.db2.gz RALQOLUXXGJBKH-JGZJWPJOSA-N -1 1 298.770 2.270 20 10 CECDMM CO[C@H]1C[C@H](CNC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000896435505 630565699 /nfs/dbraw/zinc/56/56/99/630565699.db2.gz LMYVPNWWAAMPSX-HOMQSWHASA-N -1 1 298.770 2.270 20 10 CECDMM COc1ccccc1CO[N-]C(=O)C1=CC(=O)CS1 ZINC000799203751 630997315 /nfs/dbraw/zinc/99/73/15/630997315.db2.gz SJCGTWMXQADDPS-UHFFFAOYSA-N -1 1 279.317 2.324 20 10 CECDMM CCC[N@@H+](CC(=O)[O-])Cc1c([O-])ccc(Cl)c1F ZINC000840997839 631346349 /nfs/dbraw/zinc/34/63/49/631346349.db2.gz YEPSZCNHMIHAQT-UHFFFAOYSA-N -1 1 275.707 2.481 20 10 CECDMM Oc1c(F)cc(F)cc1C[NH2+]Cc1cnn(CCF)c1 ZINC000897728986 631885884 /nfs/dbraw/zinc/88/58/84/631885884.db2.gz RUELAXSUDNVLCA-UHFFFAOYSA-N -1 1 285.269 2.126 20 10 CECDMM O=C(NCC[C@@H]1CC[C@H]2C[C@H]21)c1c(F)ccc(O)c1[O-] ZINC000900207829 633589643 /nfs/dbraw/zinc/58/96/43/633589643.db2.gz UTHBPBWGYJSEKR-GUBZILKMSA-N -1 1 279.311 2.403 20 10 CECDMM CC(C)(CNC(=O)c1c(F)ccc(O)c1[O-])C1CC1 ZINC000900739249 633832967 /nfs/dbraw/zinc/83/29/67/633832967.db2.gz NNCKTIBSOOMMAZ-UHFFFAOYSA-N -1 1 267.300 2.403 20 10 CECDMM O=C(c1c(F)ccc(O)c1[O-])N1CC[C@@H](c2ccco2)C1 ZINC000825797370 635714732 /nfs/dbraw/zinc/71/47/32/635714732.db2.gz VEDVJHHFDPMCFP-SECBINFHSA-N -1 1 291.278 2.460 20 10 CECDMM COCC1(C)CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000827794633 636423521 /nfs/dbraw/zinc/42/35/21/636423521.db2.gz PEPGTXKNMQMZGE-UHFFFAOYSA-N -1 1 297.326 2.126 20 10 CECDMM CCOC(=O)C1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876525363 650303889 /nfs/dbraw/zinc/30/38/89/650303889.db2.gz CRRCQRLJRQTRMU-UHFFFAOYSA-N -1 1 299.317 2.446 20 10 CECDMM Cc1cc(O)c(C[NH2+]Cc2cc[nH]n2)c(Cl)c1 ZINC000840895450 639575738 /nfs/dbraw/zinc/57/57/38/639575738.db2.gz MUCXZQYAWDTOFI-UHFFFAOYSA-N -1 1 251.717 2.367 20 10 CECDMM O=C([O-])[C@H]1CCCN1Cc1c(O)ccc(Cl)c1F ZINC000840995784 639610829 /nfs/dbraw/zinc/61/08/29/639610829.db2.gz XBVLUJRJQDWTLV-SECBINFHSA-N -1 1 273.691 2.234 20 10 CECDMM CC1(CC(F)F)CN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000844148388 640616775 /nfs/dbraw/zinc/61/67/75/640616775.db2.gz QPPPARFOUODJQX-UHFFFAOYSA-N -1 1 289.253 2.354 20 10 CECDMM CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H]2C)c1[O-] ZINC000846283357 641258457 /nfs/dbraw/zinc/25/84/57/641258457.db2.gz DQOBBXRMGJFGSQ-PRHODGIISA-N -1 1 295.310 2.029 20 10 CECDMM CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@H]2C)c1[O-] ZINC000846283357 641258466 /nfs/dbraw/zinc/25/84/66/641258466.db2.gz DQOBBXRMGJFGSQ-PRHODGIISA-N -1 1 295.310 2.029 20 10 CECDMM O=S(=O)([N-]c1ccc(O)cc1F)c1cccs1 ZINC000085203942 642382307 /nfs/dbraw/zinc/38/23/07/642382307.db2.gz XMXDEIGDEQVVIC-UHFFFAOYSA-N -1 1 273.310 2.394 20 10 CECDMM C[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1nccn1C ZINC000850571842 642754684 /nfs/dbraw/zinc/75/46/84/642754684.db2.gz CCAWWVAALRPSBS-NXEZZACHSA-N -1 1 290.323 2.446 20 10 CECDMM C[C@@H](N[C@@H](C)c1nccn1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850571845 642754857 /nfs/dbraw/zinc/75/48/57/642754857.db2.gz CCAWWVAALRPSBS-ZJUUUORDSA-N -1 1 290.323 2.446 20 10 CECDMM O=C1[N-]C(=S)S/C1=C\c1ccnn1CC1CCC1 ZINC000864362264 646978176 /nfs/dbraw/zinc/97/81/76/646978176.db2.gz APMZDDMVMQYCOO-POHAHGRESA-N -1 1 279.390 2.172 20 10 CECDMM O=C(c1c([O-])c(O)ccc1F)N1C[C@H]2CCCC[C@@H]2C1 ZINC000789991140 648367500 /nfs/dbraw/zinc/36/75/00/648367500.db2.gz ARGYZJWOLHEPHF-NXEZZACHSA-N -1 1 279.311 2.499 20 10 CECDMM O=C(Nc1nc(Cl)ccc1[O-])c1cccc(O)c1O ZINC000790050681 648373916 /nfs/dbraw/zinc/37/39/16/648373916.db2.gz HCRGKBMBAKBIEO-UHFFFAOYSA-N -1 1 280.667 2.104 20 10 CECDMM O=C(NCCCSc1nccs1)c1ncccc1[O-] ZINC000127065889 651075143 /nfs/dbraw/zinc/07/51/43/651075143.db2.gz QTWDHUBCMHPFOS-UHFFFAOYSA-N -1 1 295.389 2.156 20 10 CECDMM O=C1CCCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142512609 806610299 /nfs/dbraw/zinc/61/02/99/806610299.db2.gz GAYHAGIOGVVHHO-UHFFFAOYSA-N -1 1 255.264 2.225 20 10 CECDMM Cn1ccc2c1ccnc2-c1ccc(C(=O)[O-])nc1 ZINC001242334303 811756156 /nfs/dbraw/zinc/75/61/56/811756156.db2.gz QHCATNVCANIIEX-UHFFFAOYSA-N -1 1 253.261 2.334 20 10 CECDMM Cc1cc(NCC(=O)c2ccc([O-])c(O)c2)cnc1C ZINC001170315131 812386238 /nfs/dbraw/zinc/38/62/38/812386238.db2.gz PXHYNIZVAXRCOW-UHFFFAOYSA-N -1 1 272.304 2.404 20 10 CECDMM [O-]c1c(F)cccc1CN1CC2(C1)CC(F)(F)CO2 ZINC001138129733 815734994 /nfs/dbraw/zinc/73/49/94/815734994.db2.gz UCYRLQKUSIXJJT-UHFFFAOYSA-N -1 1 273.254 2.141 20 10 CECDMM CO[C@@H](C)C1CN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140585496 816294644 /nfs/dbraw/zinc/29/46/44/816294644.db2.gz KMUNMHWRSCJPSQ-QMMMGPOBSA-N -1 1 257.280 2.137 20 10 CECDMM Cc1cc(NCc2cc(Cl)cc(F)c2[O-])n(CCO)n1 ZINC001177650691 816603373 /nfs/dbraw/zinc/60/33/73/816603373.db2.gz KPAIGYKJMAQFSD-UHFFFAOYSA-N -1 1 299.733 2.294 20 10 CECDMM CCCCNC(=O)[C@H](C)N(C)Cc1ccccc1O ZINC000111235243 364724657 /nfs/dbraw/zinc/72/46/57/364724657.db2.gz KIHOXFZNLSFSFP-LBPRGKRZSA-N -1 1 264.369 2.129 20 10 CECDMM C[C@H]1OCC[C@]12CN(Cc1cccc(Cl)c1[O-])CCO2 ZINC000279702511 374958499 /nfs/dbraw/zinc/95/84/99/374958499.db2.gz RITZWNCYFBFARK-ABAIWWIYSA-N -1 1 297.782 2.425 20 10 CECDMM CC1(C)CN(C(=O)c2c(F)ccc(O)c2[O-])CC(C)(C)O1 ZINC000295157810 378044841 /nfs/dbraw/zinc/04/48/41/378044841.db2.gz CUBOUZFEEGSMEF-UHFFFAOYSA-N -1 1 297.326 2.267 20 10 CECDMM C[C@H](C(=O)Nc1nccs1)N(C)Cc1ccccc1O ZINC000109773130 394734992 /nfs/dbraw/zinc/73/49/92/394734992.db2.gz MZMRHMGUGQNXOZ-SNVBAGLBSA-N -1 1 291.376 2.308 20 10 CECDMM CC(C)c1nnc2n1CCN(Cc1cccc(F)c1[O-])C2 ZINC000378497910 329053106 /nfs/dbraw/zinc/05/31/06/329053106.db2.gz QKVAQLOJZAWGAP-UHFFFAOYSA-N -1 1 290.342 2.262 20 10 CECDMM CC(C)[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])C(=O)[O-] ZINC000043429897 598193868 /nfs/dbraw/zinc/19/38/68/598193868.db2.gz NOAPZMYVHSOBDG-LLVKDONJSA-N -1 1 257.717 2.244 20 10 CECDMM O=C([O-])C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000821515688 598212146 /nfs/dbraw/zinc/21/21/46/598212146.db2.gz MKICEGFMYMCJQS-JTQLQIEISA-N -1 1 267.300 2.218 20 10 CECDMM CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@](C)(C(=O)[O-])C2)c1[O-] ZINC000825946669 601915897 /nfs/dbraw/zinc/91/58/97/601915897.db2.gz KDTVOLGRAVBBCK-OAHLLOKOSA-N -1 1 295.310 2.031 20 10 CECDMM CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)c1[O-] ZINC000825946669 601915898 /nfs/dbraw/zinc/91/58/98/601915898.db2.gz KDTVOLGRAVBBCK-OAHLLOKOSA-N -1 1 295.310 2.031 20 10 CECDMM O=C([O-])N1CCC[N@H+](Cc2c([O-])cccc2Cl)CC1 ZINC000834110897 605477620 /nfs/dbraw/zinc/47/76/20/605477620.db2.gz XPWHCKRRKLIAHG-UHFFFAOYSA-N -1 1 284.743 2.231 20 10 CECDMM O=C([O-])N1CCC[N@@H+](Cc2c([O-])cccc2Cl)CC1 ZINC000834110897 605477624 /nfs/dbraw/zinc/47/76/24/605477624.db2.gz XPWHCKRRKLIAHG-UHFFFAOYSA-N -1 1 284.743 2.231 20 10 CECDMM O=C([O-])N1CCCN(Cc2c(O)cccc2Cl)CC1 ZINC000834110897 605477627 /nfs/dbraw/zinc/47/76/27/605477627.db2.gz XPWHCKRRKLIAHG-UHFFFAOYSA-N -1 1 284.743 2.231 20 10 CECDMM C[C@@H]1[C@@H](C)[N@@H+](Cc2cccc(F)c2[O-])CCN1C(=O)[O-] ZINC000833827362 605638499 /nfs/dbraw/zinc/63/84/99/605638499.db2.gz LAJRRXOZKHQWPU-NXEZZACHSA-N -1 1 282.315 2.104 20 10 CECDMM C[C@@H]1[C@H](C)[N@@H+](Cc2cccc(F)c2[O-])CCN1C(=O)[O-] ZINC000833827367 605638668 /nfs/dbraw/zinc/63/86/68/605638668.db2.gz LAJRRXOZKHQWPU-VHSXEESVSA-N -1 1 282.315 2.104 20 10 CECDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000890761338 622931139 /nfs/dbraw/zinc/93/11/39/622931139.db2.gz OTULQMYMLWIMAE-NXEZZACHSA-N -1 1 291.738 2.189 20 10 CECDMM CCOC(=O)C1(C(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890759648 622931853 /nfs/dbraw/zinc/93/18/53/622931853.db2.gz GGVSAIROXRDXSH-UHFFFAOYSA-N -1 1 297.738 2.005 20 10 CECDMM CC[C@@H](O)[C@@H](C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890761351 622932452 /nfs/dbraw/zinc/93/24/52/622932452.db2.gz OXSJFOHAONTWLF-LDYMZIIASA-N -1 1 271.744 2.069 20 10 CECDMM C[C@@H](C(=O)NCc1cccc(Cl)c1[O-])[C@H]1CCCO1 ZINC000890763432 622935521 /nfs/dbraw/zinc/93/55/21/622935521.db2.gz WKCYSTNQIARAAG-BXKDBHETSA-N -1 1 283.755 2.477 20 10 CECDMM CCC1(CNC(=O)NCc2cccc(Cl)c2[O-])COC1 ZINC000895227903 630044996 /nfs/dbraw/zinc/04/49/96/630044996.db2.gz RVFKRDAJZYFLLI-UHFFFAOYSA-N -1 1 298.770 2.271 20 10 CECDMM C[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])C1CC1 ZINC000825542257 635658666 /nfs/dbraw/zinc/65/86/66/635658666.db2.gz JCDUUYAUXNNWCI-SSDOTTSWSA-N -1 1 253.273 2.013 20 10 CECDMM O=C(c1c([O-])c(O)ccc1F)N1CC2(C1)CCCC2 ZINC000829010092 636752172 /nfs/dbraw/zinc/75/21/72/636752172.db2.gz DHQYFBJNXSYBRP-UHFFFAOYSA-N -1 1 265.284 2.253 20 10 CECDMM [O-]c1c(CN2CC[C@@](O)(C(F)(F)F)C2)ccc(F)c1F ZINC000876762278 650423523 /nfs/dbraw/zinc/42/35/23/650423523.db2.gz DZPCABKEIZSZIO-NSHDSACASA-N -1 1 297.223 2.170 20 10 CECDMM CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@]2(C)C(=O)[O-])c1[O-] ZINC000846273505 641251284 /nfs/dbraw/zinc/25/12/84/641251284.db2.gz YFZPWDSABRNNFY-OAHLLOKOSA-N -1 1 295.310 2.173 20 10 CECDMM CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@]2(C)C(=O)[O-])c1[O-] ZINC000846273505 641251288 /nfs/dbraw/zinc/25/12/88/641251288.db2.gz YFZPWDSABRNNFY-OAHLLOKOSA-N -1 1 295.310 2.173 20 10 CECDMM COc1cccc2c1O[C@H](c1cccc(F)c1[O-])NC2=O ZINC000877841813 650930333 /nfs/dbraw/zinc/93/03/33/650930333.db2.gz ANIYVGBAFVCVNL-OAHLLOKOSA-N -1 1 289.262 2.361 20 10 CECDMM CO[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])C1CCCC1 ZINC000857332565 644889481 /nfs/dbraw/zinc/88/94/81/644889481.db2.gz XJUFJOXCRDKWTB-LBPRGKRZSA-N -1 1 297.326 2.172 20 10 CECDMM Cn1cnc2cc(C=C3SC(=S)[N-]C3=O)ccc21 ZINC000761199533 645256195 /nfs/dbraw/zinc/25/61/95/645256195.db2.gz FZEHSNSMJAMJHP-BJMVGYQFSA-N -1 1 275.358 2.062 20 10 CECDMM CCCCN(CC(N)=O)Cc1cc(Cl)cc(F)c1[O-] ZINC000775656628 646976919 /nfs/dbraw/zinc/97/69/19/646976919.db2.gz 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/nfs/dbraw/zinc/45/61/77/652456177.db2.gz UCQYXFXGZYOEAO-SFYZADRCSA-N -1 1 273.279 2.483 20 10 CECDMM CCN(C)c1ccc(C=C2SC(=S)[N-]C2=O)cn1 ZINC000588577269 803297517 /nfs/dbraw/zinc/29/75/17/803297517.db2.gz GMTXOMKAXYDFQM-TWGQIWQCSA-N -1 1 279.390 2.027 20 10 CECDMM CC(C)(C)OC(=O)NC1CN(Cc2c([O-])cccc2F)C1 ZINC001137831465 815690616 /nfs/dbraw/zinc/69/06/16/815690616.db2.gz ARBDCHULKDFUJG-UHFFFAOYSA-N -1 1 296.342 2.240 20 10 CECDMM O=C1C[C@H]2CC[C@@H](C1)N2Cc1c([O-])cc(F)cc1F ZINC001140581741 816291787 /nfs/dbraw/zinc/29/17/87/816291787.db2.gz YSCMWMVGYDIXJA-AOOOYVTPSA-N -1 1 267.275 2.366 20 10 CECDMM [O-]c1cc(F)c(F)cc1CN1CC(F)(F)CC[C@@H]1CO ZINC001142508675 816677322 /nfs/dbraw/zinc/67/73/22/816677322.db2.gz HLBAYAUMOIJLKA-SECBINFHSA-N -1 1 293.260 2.262 20 10 CECDMM [O-]c1cc(F)c(F)cc1CN1CCOCC12CCC2 ZINC001142524778 816678467 /nfs/dbraw/zinc/67/84/67/816678467.db2.gz KIPAPQPFZPDCBP-UHFFFAOYSA-N -1 1 269.291 2.425 20 10 CECDMM CC(=O)N1CC[N@@H+](Cc2cc(Cl)cc(C)c2O)[C@H](C)C1 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CCOC(=O)CN(C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000177057132 625420948 /nfs/dbraw/zinc/42/09/48/625420948.db2.gz IBIKRVYENMGTOC-UHFFFAOYSA-N -1 1 299.754 2.243 20 10 CECDMM CS[C@H](C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890758347 622929226 /nfs/dbraw/zinc/92/92/26/622929226.db2.gz WAQHFUMBJJVMCR-SSDOTTSWSA-N -1 1 259.758 2.413 20 10 CECDMM CCO[C@@H](C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890757951 622929398 /nfs/dbraw/zinc/92/93/98/622929398.db2.gz NZFKMJHHINRTFO-QMMMGPOBSA-N -1 1 257.717 2.087 20 10 CECDMM C[C@@H]1C[C@H](C(=O)NCc2cccc(Cl)c2[O-])CO1 ZINC000890759172 622930171 /nfs/dbraw/zinc/93/01/71/622930171.db2.gz FQJYLWYPTUFEPJ-SCZZXKLOSA-N -1 1 269.728 2.087 20 10 CECDMM O=C(NCc1cccc(Cl)c1[O-])C1=CCOCC1 ZINC000890759556 622931541 /nfs/dbraw/zinc/93/15/41/622931541.db2.gz OBMGJAMJGMHSEK-UHFFFAOYSA-N -1 1 267.712 2.009 20 10 CECDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CC12CC2 ZINC000890760894 622932399 /nfs/dbraw/zinc/93/23/99/622932399.db2.gz DBBQCFABTXMKFZ-SECBINFHSA-N -1 1 251.713 2.462 20 10 CECDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000890762468 622934798 /nfs/dbraw/zinc/93/47/98/622934798.db2.gz DIBYHCMGOIPOPO-COPLHBTASA-N -1 1 295.766 2.477 20 10 CECDMM CCO[C@@H]1[C@H](C)[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890762464 622935076 /nfs/dbraw/zinc/93/50/76/622935076.db2.gz DGKFYVMRJGVURZ-YDEJPDAXSA-N -1 1 283.755 2.333 20 10 CECDMM CCOCCCNC(=O)NCc1cccc(Cl)c1[O-] ZINC000891464577 623725582 /nfs/dbraw/zinc/72/55/82/623725582.db2.gz GUXOYNNIKLAZRZ-UHFFFAOYSA-N -1 1 286.759 2.271 20 10 CECDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCSC1 ZINC000893294414 628260551 /nfs/dbraw/zinc/26/05/51/628260551.db2.gz FZKHZDGXXVSWJO-SECBINFHSA-N -1 1 286.784 2.350 20 10 CECDMM COC[C@H](NC(=O)NCc1cccc(Cl)c1[O-])C1CC1 ZINC000893785077 629002465 /nfs/dbraw/zinc/00/24/65/629002465.db2.gz FTXNFNNUVUEZNJ-LBPRGKRZSA-N -1 1 298.770 2.270 20 10 CECDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C)nc1 ZINC000795355038 629526157 /nfs/dbraw/zinc/52/61/57/629526157.db2.gz WUHNGAPYLGCBCJ-UHFFFAOYSA-N -1 1 292.360 2.459 20 10 CECDMM Cc1nonc1CNCc1cccc(Cl)c1[O-] ZINC000809745653 632138674 /nfs/dbraw/zinc/13/86/74/632138674.db2.gz YNGXBJWMEZOZBO-UHFFFAOYSA-N -1 1 253.689 2.027 20 10 CECDMM COc1ccc(F)cc1C=C1SC(=S)[N-]C1=O ZINC000812239831 632498252 /nfs/dbraw/zinc/49/82/52/632498252.db2.gz FYODAEPDWQOSQK-UITAMQMPSA-N -1 1 269.322 2.323 20 10 CECDMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)c1c(F)ccc(O)c1[O-] ZINC000900477962 633738264 /nfs/dbraw/zinc/73/82/64/633738264.db2.gz NTMQDKKIIDCUCP-BDNRQGISSA-N -1 1 265.284 2.011 20 10 CECDMM COC[C@H]1CCCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000828689019 636653919 /nfs/dbraw/zinc/65/39/19/636653919.db2.gz YZRUFCVVFWYASF-JTQLQIEISA-N -1 1 297.326 2.126 20 10 CECDMM O=C(N[C@H]1CCCC1(F)F)c1c([O-])c(O)ccc1F ZINC000832067272 637491165 /nfs/dbraw/zinc/49/11/65/637491165.db2.gz QSLXFCODBZAVLL-QMMMGPOBSA-N -1 1 275.226 2.155 20 10 CECDMM C[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1nccn1C ZINC000850571844 642755191 /nfs/dbraw/zinc/75/51/91/642755191.db2.gz CCAWWVAALRPSBS-VHSXEESVSA-N -1 1 290.323 2.446 20 10 CECDMM CC/C(C)=C/C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000838040380 643825288 /nfs/dbraw/zinc/82/52/88/643825288.db2.gz IWVSXTMKBWXHCF-RMKNXTFCSA-N -1 1 264.277 2.180 20 10 CECDMM Cc1cc(N(C)C)ccc1CNC(=O)c1ncccc1[O-] ZINC000115725913 645019427 /nfs/dbraw/zinc/01/94/27/645019427.db2.gz RFLGPABAPLMUMR-UHFFFAOYSA-N -1 1 285.347 2.092 20 10 CECDMM O=C([N-]OCCC(F)(F)F)C1=CC(=O)CS1 ZINC000779493583 647327427 /nfs/dbraw/zinc/32/74/27/647327427.db2.gz FELPAGOOVCDJHG-UHFFFAOYSA-N -1 1 255.217 2.068 20 10 CECDMM CCC(CC)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782986801 647667143 /nfs/dbraw/zinc/66/71/43/647667143.db2.gz OZUIYIZRXNQUBN-UHFFFAOYSA-N -1 1 266.293 2.260 20 10 CECDMM O=C(NCCOc1ccccc1)c1c(F)ccc(O)c1[O-] ZINC000789938336 648360253 /nfs/dbraw/zinc/36/02/53/648360253.db2.gz AOHGVWGCXVOPHH-UHFFFAOYSA-N -1 1 291.278 2.046 20 10 CECDMM COc1ccc(C)cc1C=C1SC(=S)[N-]C1=O ZINC000209098057 649115185 /nfs/dbraw/zinc/11/51/85/649115185.db2.gz NLYKTTZSNWMXGP-UXBLZVDNSA-N -1 1 265.359 2.492 20 10 CECDMM COCc1ccc(C=C2SC(=S)[N-]C2=O)cc1 ZINC000132416144 652519990 /nfs/dbraw/zinc/51/99/90/652519990.db2.gz PJTQZTMIJZTXHT-UXBLZVDNSA-N -1 1 265.359 2.322 20 10 CECDMM [O-]c1cccc(F)c1CN1CC(F)(F)CC[C@@H]1CO ZINC001137831940 809494769 /nfs/dbraw/zinc/49/47/69/809494769.db2.gz UADJLLUDEKJPOM-SECBINFHSA-N -1 1 275.270 2.123 20 10 CECDMM CCc1ccncc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170321742 812388199 /nfs/dbraw/zinc/38/81/99/812388199.db2.gz FKMRMECYEHBIFS-UHFFFAOYSA-N -1 1 272.304 2.350 20 10 CECDMM CCCC(C)(C)C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001144123658 813963658 /nfs/dbraw/zinc/96/36/58/813963658.db2.gz ODAWECYBNYFETL-UHFFFAOYSA-N -1 1 279.336 2.223 20 10 CECDMM [O-]c1cc(Cl)ccc1CN1C[C@@H](CO)CC(F)(F)C1 ZINC001140462280 816260492 /nfs/dbraw/zinc/26/04/92/816260492.db2.gz DIAHYWHICCEBDI-VIFPVBQESA-N -1 1 291.725 2.495 20 10 CECDMM [O-]c1cc(Cl)ccc1CN1C[C@H](CO)CC(F)(F)C1 ZINC001140462279 816260907 /nfs/dbraw/zinc/26/09/07/816260907.db2.gz DIAHYWHICCEBDI-SECBINFHSA-N -1 1 291.725 2.495 20 10 CECDMM [O-]c1cc(F)cc(F)c1CN1CC2(C1)CCCOC2 ZINC001140582071 816290755 /nfs/dbraw/zinc/29/07/55/816290755.db2.gz BLRFKXKWIQBMIZ-UHFFFAOYSA-N -1 1 269.291 2.283 20 10 CECDMM [O-]c1cc(F)c(F)cc1CN1CCOC2(CCOCC2)C1 ZINC001142527006 816680354 /nfs/dbraw/zinc/68/03/54/816680354.db2.gz GBLSLEKSKKUVCV-UHFFFAOYSA-N -1 1 299.317 2.052 20 10 CECDMM CC[C@@]1(CO)CCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000189611539 369546184 /nfs/dbraw/zinc/54/61/84/369546184.db2.gz UJFDTUZSEWXJQI-INIZCTEOSA-N -1 1 295.354 2.471 20 10 CECDMM CN(CC(C)(C)C)C(=O)c1c([O-])c(O)ccc1F ZINC000295050062 378037179 /nfs/dbraw/zinc/03/71/79/378037179.db2.gz JZAXAQJQSHRSJX-UHFFFAOYSA-N -1 1 255.289 2.355 20 10 CECDMM CSC1(CNC(=O)c2c(F)ccc(O)c2[O-])CCC1 ZINC000295156354 378045159 /nfs/dbraw/zinc/04/51/59/378045159.db2.gz DUGBTKSXJYLJQQ-UHFFFAOYSA-N -1 1 285.340 2.252 20 10 CECDMM O=C(NC[C@@H]1CCCSC1)c1c(F)ccc(O)c1[O-] ZINC000295410763 378145118 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267.712 2.031 20 10 CECDMM CCC/C=C/[C@@H](O)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890762392 622935081 /nfs/dbraw/zinc/93/50/81/622935081.db2.gz BHXZQMUATXKYQZ-WNPFHQFXSA-N -1 1 283.755 2.379 20 10 CECDMM COCc1nc(NCc2ccc(N(C)C)cc2)cc(=O)[n-]1 ZINC000891577689 623799463 /nfs/dbraw/zinc/79/94/63/623799463.db2.gz FMHCNCWFAAADIR-UHFFFAOYSA-N -1 1 288.351 2.007 20 10 CECDMM O=C1[N-]C(=S)S/C1=C\c1ccc2oncc2c1 ZINC000821022099 634605368 /nfs/dbraw/zinc/60/53/68/634605368.db2.gz OEMOIHXCBRBQPT-WTKPLQERSA-N -1 1 262.315 2.317 20 10 CECDMM O=C(NCC[C@H]1CCOC1)NCc1cccc(Cl)c1[O-] ZINC000894154558 629173658 /nfs/dbraw/zinc/17/36/58/629173658.db2.gz NQWRQDGEVSGANB-JTQLQIEISA-N -1 1 298.770 2.271 20 10 CECDMM CC[N@H+](Cc1cc(F)cc(F)c1[O-])C[C@@H](O)C(F)(F)F ZINC000894494040 629495491 /nfs/dbraw/zinc/49/54/91/629495491.db2.gz LOMLRBGWCFTJSM-SNVBAGLBSA-N -1 1 299.239 2.416 20 10 CECDMM [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000824726811 635486439 /nfs/dbraw/zinc/48/64/39/635486439.db2.gz 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C[C@H](N[C@H]1CCCn2ncnc21)c1ccc(F)c(F)c1[O-] ZINC000187751576 299423061 /nfs/dbraw/zinc/42/30/61/299423061.db2.gz RYRWCURNASOQKY-KWQFWETISA-N -1 1 294.305 2.448 20 10 CECDMM CCCCCN1CC(=O)N[C@@H]1c1cccc(F)c1[O-] ZINC000272367510 373449145 /nfs/dbraw/zinc/44/91/45/373449145.db2.gz GLTRFSBKDJIEFE-AWEZNQCLSA-N -1 1 266.316 2.152 20 10 CECDMM Cc1cc(Cl)cc(CN2CCN(C)CC2)c1O ZINC000183369234 395255447 /nfs/dbraw/zinc/25/54/47/395255447.db2.gz UCVLVKOJXYUWHC-UHFFFAOYSA-N -1 1 254.761 2.101 20 10 CECDMM O=C(N[C@@H]1CC=CCC1)c1c([O-])c(O)ccc1F ZINC000277805816 526882215 /nfs/dbraw/zinc/88/22/15/526882215.db2.gz WBGKKHZXSNZJTB-MRVPVSSYSA-N -1 1 251.257 2.075 20 10 CECDMM [O-]c1ccc(Cl)cc1C[NH2+]C1(c2nnn[n-]2)CCCC1 ZINC000735408846 574757446 /nfs/dbraw/zinc/75/74/46/574757446.db2.gz ZCEXHSPDRLLSNW-UHFFFAOYSA-N -1 1 293.758 2.118 20 10 CECDMM CN(C)c1ccc(CNCc2ccc(C(=O)[O-])o2)cc1F ZINC000737376412 574831065 /nfs/dbraw/zinc/83/10/65/574831065.db2.gz VRKHKZNGECGEBE-UHFFFAOYSA-N -1 1 292.310 2.473 20 10 CECDMM O=C([O-])N1CCC[N@@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC000834109482 605989647 /nfs/dbraw/zinc/98/96/47/605989647.db2.gz IWFBOISLRMDPRL-UHFFFAOYSA-N -1 1 284.743 2.231 20 10 CECDMM O=C([O-])NC[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000834221970 605995628 /nfs/dbraw/zinc/99/56/28/605995628.db2.gz VSFFWQGXSVGFRB-JTQLQIEISA-N -1 1 284.743 2.278 20 10 CECDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCCCO1 ZINC000890760125 622930499 /nfs/dbraw/zinc/93/04/99/622930499.db2.gz IXTBDMWNHSJFHJ-NSHDSACASA-N -1 1 269.728 2.231 20 10 CECDMM CC[N@@H+](CC(=O)NCc1cccc(Cl)c1O)C1CC1 ZINC000890759612 622931448 /nfs/dbraw/zinc/93/14/48/622931448.db2.gz DVUPJDOZYGGJKU-UHFFFAOYSA-N -1 1 282.771 2.146 20 10 CECDMM CCCCOCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890760341 622931466 /nfs/dbraw/zinc/93/14/66/622931466.db2.gz OUVPUBRONREPAJ-UHFFFAOYSA-N -1 1 271.744 2.479 20 10 CECDMM C[C@](O)(CC(=O)NCc1cccc(Cl)c1[O-])C1CC1 ZINC000890759469 622931507 /nfs/dbraw/zinc/93/15/07/622931507.db2.gz CVLXJQJPBDAXDU-AWEZNQCLSA-N -1 1 283.755 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295.310 2.173 20 10 CECDMM CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2CC(=O)[O-])c1[O-] ZINC000833401449 604966982 /nfs/dbraw/zinc/96/69/82/604966982.db2.gz UKBMUNMSFBGIFR-LBPRGKRZSA-N -1 1 295.310 2.173 20 10 CECDMM Cc1cnn(CCC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC000890758031 622928467 /nfs/dbraw/zinc/92/84/67/622928467.db2.gz QFJUHKKCPGRVOI-UHFFFAOYSA-N -1 1 293.754 2.257 20 10 CECDMM O=C1[N-]C(=S)S/C1=C\c1ccn(-c2ccccc2)n1 ZINC000160792417 623496819 /nfs/dbraw/zinc/49/68/19/623496819.db2.gz FAOLWFJCBXDSGG-FLIBITNWSA-N -1 1 287.369 2.361 20 10 CECDMM CN1CCCc2cc(C=C3SC(=O)[N-]C3=O)ccc21 ZINC000166132717 627632424 /nfs/dbraw/zinc/63/24/24/627632424.db2.gz KTRZJIWPLRPICO-WQLSENKSSA-N -1 1 274.345 2.393 20 10 CECDMM CC(C)OCCNC(=O)NCc1cccc(Cl)c1[O-] ZINC000894175253 629190983 /nfs/dbraw/zinc/19/09/83/629190983.db2.gz ZZCAHIOPOWPKJI-UHFFFAOYSA-N -1 1 286.759 2.270 20 10 CECDMM O=C1[N-]C(=S)S/C1=C\c1c(F)ccc(O)c1F ZINC000794927288 629359723 /nfs/dbraw/zinc/35/97/23/629359723.db2.gz QAQHCTXUOUKGNT-CLTKARDFSA-N 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378025642 /nfs/dbraw/zinc/02/56/42/378025642.db2.gz HCCUVPNIOBLRLE-UHFFFAOYSA-N -1 1 281.205 2.309 20 10 CECDMM CC(C)[C@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])CCO1 ZINC000297548220 378686691 /nfs/dbraw/zinc/68/66/91/378686691.db2.gz QMTXFNVNBOUGTN-JOYOIKCWSA-N -1 1 297.326 2.170 20 10 CECDMM CCCOc1ccc(C[N@@H+](C)CC(=O)NC(C)C)c(O)c1 ZINC000133389885 394950199 /nfs/dbraw/zinc/95/01/99/394950199.db2.gz LAIWUOUIYBYFMM-UHFFFAOYSA-N -1 1 294.395 2.137 20 10 CECDMM C[C@@H]1CCN(C(=O)c2c([O-])c(O)ccc2F)C[C@@H]1C ZINC000297299876 296537630 /nfs/dbraw/zinc/53/76/30/296537630.db2.gz YMEWILQHJZGTDF-BDAKNGLRSA-N -1 1 267.300 2.355 20 10 CECDMM CO[C@@]1(C)C[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C1(C)C ZINC000276610537 523812024 /nfs/dbraw/zinc/81/20/24/523812024.db2.gz PNLOPYSXZDKXGE-BMIGLBTASA-N -1 1 297.326 2.170 20 10 CECDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@H]1CCCO1 ZINC000739794114 574933535 /nfs/dbraw/zinc/93/35/35/574933535.db2.gz SKYWSWQMZSWUPG-GFCCVEGCSA-N -1 1 299.754 2.111 20 10 CECDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@H]1CCCO1 ZINC000739794114 574933537 /nfs/dbraw/zinc/93/35/37/574933537.db2.gz SKYWSWQMZSWUPG-GFCCVEGCSA-N -1 1 299.754 2.111 20 10 CECDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@@H]1CCCO1 ZINC000739794115 574933542 /nfs/dbraw/zinc/93/35/42/574933542.db2.gz SKYWSWQMZSWUPG-LBPRGKRZSA-N -1 1 299.754 2.111 20 10 CECDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@@H]1CCCO1 ZINC000739794115 574933544 /nfs/dbraw/zinc/93/35/44/574933544.db2.gz SKYWSWQMZSWUPG-LBPRGKRZSA-N -1 1 299.754 2.111 20 10 CECDMM O=C([O-])c1occc1CNCc1ccc2c(c1)CCO2 ZINC000833785345 605089514 /nfs/dbraw/zinc/08/95/14/605089514.db2.gz QFESTZGEKHNOBB-UHFFFAOYSA-N -1 1 273.288 2.203 20 10 CECDMM O=C([O-])NC1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000834189384 605484043 /nfs/dbraw/zinc/48/40/43/605484043.db2.gz KURZQXKWLLMUOD-UHFFFAOYSA-N -1 1 284.743 2.278 20 10 CECDMM O=C([O-])N[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000834181295 605990364 /nfs/dbraw/zinc/99/03/64/605990364.db2.gz 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[O-]c1c(F)cccc1CN1CCOC[C@H]1CC(F)F ZINC000289586352 526329226 /nfs/dbraw/zinc/32/92/26/526329226.db2.gz KEWDFEHEZWOYBJ-SNVBAGLBSA-N -1 1 275.270 2.387 20 10 CECDMM Cn1c(Cl)nc(Cl)c1C=C1SC(=S)[N-]C1=O ZINC000726876142 574431353 /nfs/dbraw/zinc/43/13/53/574431353.db2.gz HQTTZUYVQRLIBS-RQOWECAXSA-N -1 1 294.188 2.216 20 10 CECDMM CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@](C)(C(=O)[O-])C2)c1[O-] ZINC000825946668 601915555 /nfs/dbraw/zinc/91/55/55/601915555.db2.gz KDTVOLGRAVBBCK-HNNXBMFYSA-N -1 1 295.310 2.031 20 10 CECDMM CC(=O)c1cc(F)cc(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)c1[O-] ZINC000825946668 601915557 /nfs/dbraw/zinc/91/55/57/601915557.db2.gz KDTVOLGRAVBBCK-HNNXBMFYSA-N -1 1 295.310 2.031 20 10 CECDMM O=C([O-])NC1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000834188727 605484375 /nfs/dbraw/zinc/48/43/75/605484375.db2.gz AYRQIMSDCHCVRC-UHFFFAOYSA-N -1 1 284.743 2.278 20 10 CECDMM CC[C@@H](NCc1cnn(C)n1)c1cccc(Cl)c1[O-] ZINC000806167193 622852541 /nfs/dbraw/zinc/85/25/41/622852541.db2.gz 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/nfs/dbraw/zinc/93/24/73/622932473.db2.gz NJVUWLKKPPAXSX-JMJZKYOTSA-N -1 1 293.750 2.277 20 10 CECDMM CC(C)(C)C(=O)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760816 622932568 /nfs/dbraw/zinc/93/25/68/622932568.db2.gz ZSUZFENSNXMDDN-UHFFFAOYSA-N -1 1 269.728 2.277 20 10 CECDMM CCO[C@@H]1[C@H](C)[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890762463 622935043 /nfs/dbraw/zinc/93/50/43/622935043.db2.gz DGKFYVMRJGVURZ-XTWCZFFVSA-N -1 1 283.755 2.333 20 10 CECDMM O=C(NCC[C@H]1CCCO1)NCc1cccc(Cl)c1[O-] ZINC000891748168 623941824 /nfs/dbraw/zinc/94/18/24/623941824.db2.gz OGKKJRHCYNOSKR-LLVKDONJSA-N -1 1 298.770 2.414 20 10 CECDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@H]1CCCCO1 ZINC000892322116 624748339 /nfs/dbraw/zinc/74/83/39/624748339.db2.gz KAPZERGBYNWLFC-LLVKDONJSA-N -1 1 298.770 2.414 20 10 CECDMM CC(C)N(C)c1ccc(C=C2SC(=S)[N-]C2=O)cn1 ZINC000190220452 628328564 /nfs/dbraw/zinc/32/85/64/628328564.db2.gz VIRJIANXYADJQQ-UXBLZVDNSA-N -1 1 293.417 2.415 20 10 CECDMM CC[C@H](C)[N@H+](CC(=O)[O-])Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000236963201 629133814 /nfs/dbraw/zinc/13/38/14/629133814.db2.gz GSIGYUVRMOWUKP-VIFPVBQESA-N -1 1 297.326 2.419 20 10 CECDMM CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000236963201 629133816 /nfs/dbraw/zinc/13/38/16/629133816.db2.gz GSIGYUVRMOWUKP-VIFPVBQESA-N -1 1 297.326 2.419 20 10 CECDMM CO[C@@H]1CCC[C@H]1NC(=O)NCc1cccc(Cl)c1[O-] ZINC000895188499 630019733 /nfs/dbraw/zinc/01/97/33/630019733.db2.gz OOEWGXGRAFCQIK-VXGBXAGGSA-N -1 1 298.770 2.412 20 10 CECDMM CC1(C)CO[C@@H](CCNC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000899454543 632863723 /nfs/dbraw/zinc/86/37/23/632863723.db2.gz AKNQPBHDBCCWKZ-VIFPVBQESA-N -1 1 297.326 2.172 20 10 CECDMM COc1c([O-])c(CNCC(C)(F)F)ccc1[N+](=O)[O-] ZINC000816643241 633454890 /nfs/dbraw/zinc/45/48/90/633454890.db2.gz YUYDLQOHZCDMCF-UHFFFAOYSA-N -1 1 276.239 2.054 20 10 CECDMM O=C(NCCC1CC=CC1)c1c(F)ccc(O)c1[O-] ZINC000900691556 633809621 /nfs/dbraw/zinc/80/96/21/633809621.db2.gz MZMXMAXWMZMGRV-UHFFFAOYSA-N -1 1 265.284 2.323 20 10 CECDMM Cc1cc(O)c(C[N@@H+](C)CC(=O)NC(C)C)cc1Cl ZINC000824535703 635444714 /nfs/dbraw/zinc/44/47/14/635444714.db2.gz USVYFHWPMBOPKG-UHFFFAOYSA-N -1 1 284.787 2.310 20 10 CECDMM CC(C)(C)CCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000825450077 635641636 /nfs/dbraw/zinc/64/16/36/635641636.db2.gz PMJMVDMGRIEXAE-UHFFFAOYSA-N -1 1 255.289 2.403 20 10 CECDMM CCOCCC1(CNC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000827224956 636261705 /nfs/dbraw/zinc/26/17/05/636261705.db2.gz KYLZEIZUHOPGHZ-UHFFFAOYSA-N -1 1 297.326 2.174 20 10 CECDMM O=C(N[C@H]1CC12CCCC2)c1c(F)ccc(O)c1[O-] ZINC000830440452 637070177 /nfs/dbraw/zinc/07/01/77/637070177.db2.gz OYOYAOPRLNZQMG-JTQLQIEISA-N -1 1 265.284 2.299 20 10 CECDMM C[C@]1(C(=O)[O-])CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000840998809 639612074 /nfs/dbraw/zinc/61/20/74/639612074.db2.gz SMPWAWVKDAMYEU-ZDUSSCGKSA-N -1 1 287.718 2.481 20 10 CECDMM COc1cccc(CNC(=O)c2c([O-])cccc2F)c1O ZINC000184977456 641927423 /nfs/dbraw/zinc/92/74/23/641927423.db2.gz ZHPXEEXSXXQUCZ-UHFFFAOYSA-N -1 1 291.278 2.176 20 10 CECDMM O=C(NCc1cccc(Br)c1[O-])c1cc[nH]c1 ZINC000765746002 645803766 /nfs/dbraw/zinc/80/37/66/645803766.db2.gz BOKVWLAHXNOFED-UHFFFAOYSA-N -1 1 295.136 2.413 20 10 CECDMM O=C1CN(Cc2ccccc2)[C@H](c2cccc(F)c2[O-])N1 ZINC000778523758 647239076 /nfs/dbraw/zinc/23/90/76/647239076.db2.gz DDZJVRAJFKJRBQ-MRXNPFEDSA-N -1 1 286.306 2.162 20 10 CECDMM CC/C=C(/C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782306915 647611875 /nfs/dbraw/zinc/61/18/75/647611875.db2.gz WZWRDDDKPJJNLN-WTKPLQERSA-N -1 1 264.277 2.180 20 10 CECDMM CC(C)=C(C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784037810 647791919 /nfs/dbraw/zinc/79/19/19/647791919.db2.gz ICVDWJZPXXOFIQ-UHFFFAOYSA-N -1 1 264.277 2.180 20 10 CECDMM C[C@@H]1CC[C@@H](C(=O)OCC(=O)c2ccc([O-])c(O)c2)C1 ZINC000784569031 647864010 /nfs/dbraw/zinc/86/40/10/647864010.db2.gz ZLGJWAKPHCMBJL-MWLCHTKSSA-N -1 1 278.304 2.260 20 10 CECDMM O=C(NCCC1=CCCC1)c1c(F)ccc(O)c1[O-] ZINC000789993452 648367270 /nfs/dbraw/zinc/36/72/70/648367270.db2.gz CTHQLLKYGKQIMS-UHFFFAOYSA-N -1 1 265.284 2.467 20 10 CECDMM COc1ccc(CNC(=O)c2cc(F)ccc2[O-])c(O)c1 ZINC000794387020 648861653 /nfs/dbraw/zinc/86/16/53/648861653.db2.gz CHFSJIGDHGYZOK-UHFFFAOYSA-N -1 1 291.278 2.176 20 10 CECDMM O=C1CN(Cc2cc(F)c(F)cc2[O-])CCC[C@H]1F ZINC001142509105 806609101 /nfs/dbraw/zinc/60/91/01/806609101.db2.gz WZYDYVVPNFSXRW-SECBINFHSA-N -1 1 273.254 2.173 20 10 CECDMM CCOC(=O)CN(CC)Cc1cc(F)c(F)cc1[O-] ZINC001142527167 806619352 /nfs/dbraw/zinc/61/93/52/806619352.db2.gz MVNMJAKDIBBKPL-UHFFFAOYSA-N -1 1 273.279 2.055 20 10 CECDMM [O-]c1ccc(F)c(Cl)c1CN1C[C@H](F)C[C@@H](CO)C1 ZINC001237122875 808194161 /nfs/dbraw/zinc/19/41/61/808194161.db2.gz ZWQJWZXJJUBHHC-RKDXNWHRSA-N -1 1 291.725 2.337 20 10 CECDMM O=C(CNc1ccc2c(c1)CCOC2)c1ccc([O-])c(O)c1 ZINC001170314590 812384582 /nfs/dbraw/zinc/38/45/82/812384582.db2.gz FZHBBADECOCJCU-UHFFFAOYSA-N -1 1 299.326 2.465 20 10 CECDMM O=C(CNc1cccc2c1OCC2)c1ccc([O-])c(O)c1 ZINC001170322948 812388253 /nfs/dbraw/zinc/38/82/53/812388253.db2.gz PHOYJCFDGPSBGD-UHFFFAOYSA-N -1 1 285.299 2.328 20 10 CECDMM C[C@H]1CN(Cc2c(F)ccc(F)c2[O-])CCCO1 ZINC001139683436 814730997 /nfs/dbraw/zinc/73/09/97/814730997.db2.gz CXIAHONIGPSHMX-VIFPVBQESA-N -1 1 257.280 2.281 20 10 CECDMM O=C1CCN(Cc2ccc(Cl)cc2[O-])C[C@@H]1F ZINC001140465180 816259849 /nfs/dbraw/zinc/25/98/49/816259849.db2.gz HTRJBYHOZVGTFO-JTQLQIEISA-N -1 1 257.692 2.159 20 10 CECDMM [O-]c1cc(F)cc(F)c1CN1CCC[C@H](n2ccnn2)C1 ZINC001140585387 816295423 /nfs/dbraw/zinc/29/54/23/816295423.db2.gz HUAHWWKIEACYHB-NSHDSACASA-N -1 1 294.305 2.099 20 10 CECDMM CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])c1[O-] ZINC000158490038 366856633 /nfs/dbraw/zinc/85/66/33/366856633.db2.gz QDLPJGWJCFYRIR-CYBMUJFWSA-N -1 1 295.310 2.173 20 10 CECDMM CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])c1[O-] ZINC000158490038 366856637 /nfs/dbraw/zinc/85/66/37/366856637.db2.gz QDLPJGWJCFYRIR-CYBMUJFWSA-N -1 1 295.310 2.173 20 10 CECDMM CCOC(=O)[C@@H]1CCCCN1Cc1cccc(F)c1[O-] ZINC000272234639 373375937 /nfs/dbraw/zinc/37/59/37/373375937.db2.gz FKNHJSISNLTIBC-ZDUSSCGKSA-N -1 1 281.327 2.449 20 10 CECDMM Oc1cccc(Cl)c1C[N@@H+]1CCCC2(C1)OCCO2 ZINC000272717801 373627823 /nfs/dbraw/zinc/62/78/23/373627823.db2.gz DTOGHJGIMDJZQW-UHFFFAOYSA-N -1 1 283.755 2.385 20 10 CECDMM C[C@@H]1[C@@H](C)CCN1C(=O)c1c([O-])c(O)ccc1F ZINC000295131811 378042724 /nfs/dbraw/zinc/04/27/24/378042724.db2.gz ICNVMCPQOYNGTD-JGVFFNPUSA-N -1 1 253.273 2.107 20 10 CECDMM O=C(NCc1cccc(Br)c1[O-])NCC1CC1 ZINC000278272670 526710670 /nfs/dbraw/zinc/71/06/70/526710670.db2.gz FTOWOXQXAIPTKA-UHFFFAOYSA-N -1 1 299.168 2.364 20 10 CECDMM CN1CCc2cc(C=C3SC(=O)[N-]C3=O)ccc21 ZINC000874927473 649870552 /nfs/dbraw/zinc/87/05/52/649870552.db2.gz CZHJCLRUYFKIRT-YRNVUSSQSA-N -1 1 260.318 2.003 20 10 CECDMM C[C@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)C[C@@H]1C(=O)[O-] ZINC000828457424 601814247 /nfs/dbraw/zinc/81/42/47/601814247.db2.gz UODJTDWLUAUPRG-GWCFXTLKSA-N -1 1 286.331 2.093 20 10 CECDMM C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)C[C@@H]1C(=O)[O-] ZINC000828457424 601814248 /nfs/dbraw/zinc/81/42/48/601814248.db2.gz UODJTDWLUAUPRG-GWCFXTLKSA-N -1 1 286.331 2.093 20 10 CECDMM C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@@H]1C(=O)[O-] ZINC000833629512 605247343 /nfs/dbraw/zinc/24/73/43/605247343.db2.gz JZDGFHNYRUZIIH-WPRPVWTQSA-N -1 1 269.728 2.198 20 10 CECDMM O=C([O-])N1CC[C@@H]([N@@H+](Cc2cccc(F)c2[O-])C2CC2)C1 ZINC000834085706 605587704 /nfs/dbraw/zinc/58/77/04/605587704.db2.gz SYDUPBYQTMAUCZ-GFCCVEGCSA-N -1 1 294.326 2.248 20 10 CECDMM C[C@H]1[C@H](C)[N@@H+](Cc2cccc(F)c2[O-])CCN1C(=O)[O-] ZINC000833827365 605638660 /nfs/dbraw/zinc/63/86/60/605638660.db2.gz LAJRRXOZKHQWPU-UWVGGRQHSA-N -1 1 282.315 2.104 20 10 CECDMM C[C@H]1C[C@@H](C(=O)NCc2cccc(Cl)c2[O-])CCO1 ZINC000890760109 622930612 /nfs/dbraw/zinc/93/06/12/622930612.db2.gz IHJVQBBCIZUNPH-UWVGGRQHSA-N -1 1 283.755 2.477 20 10 CECDMM O=C(C[C@H]1CCOC1)NCc1cccc(Cl)c1[O-] ZINC000890759889 622931429 /nfs/dbraw/zinc/93/14/29/622931429.db2.gz UMZYAZVRWQCGHN-SECBINFHSA-N -1 1 269.728 2.088 20 10 CECDMM O=C(CCOCC1CC1)NCc1cccc(Cl)c1[O-] ZINC000890760542 622931672 /nfs/dbraw/zinc/93/16/72/622931672.db2.gz SNVVGWWHRSSXGL-UHFFFAOYSA-N -1 1 283.755 2.479 20 10 CECDMM CCC[C@@](C)(O)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760798 622932321 /nfs/dbraw/zinc/93/23/21/622932321.db2.gz ZEPLFICMNPJYHT-CYBMUJFWSA-N -1 1 271.744 2.213 20 10 CECDMM C[C@@H](C(=O)NCc1cccc(Cl)c1[O-])c1ccnn1C ZINC000890760936 622932379 /nfs/dbraw/zinc/93/23/79/622932379.db2.gz FJYXQFGCSHYQKM-SECBINFHSA-N -1 1 293.754 2.199 20 10 CECDMM C[C@H]1CO[C@@H](C(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890762532 622935024 /nfs/dbraw/zinc/93/50/24/622935024.db2.gz GEXKZDFUESSMMA-LDYMZIIASA-N -1 1 269.728 2.087 20 10 CECDMM Oc1ccc(Br)cc1C[NH2+]Cc1cocn1 ZINC000310041814 628273587 /nfs/dbraw/zinc/27/35/87/628273587.db2.gz YZZSSQRTWRIFGY-UHFFFAOYSA-N -1 1 283.125 2.433 20 10 CECDMM C[C@H]1C[C@H](NC(=O)NCc2cccc(Cl)c2[O-])CO1 ZINC000895525352 630233815 /nfs/dbraw/zinc/23/38/15/630233815.db2.gz UEWXTKGYWNELOO-WPRPVWTQSA-N -1 1 284.743 2.022 20 10 CECDMM C[C@@H]1C[C@H](NC(=O)NCc2cccc(Cl)c2[O-])[C@@H](C)O1 ZINC000896105359 630470857 /nfs/dbraw/zinc/47/08/57/630470857.db2.gz FLDBKDWNINKJKV-LNLATYFQSA-N -1 1 298.770 2.411 20 10 CECDMM O=C(COC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc([O-])c(O)c1 ZINC000817200478 633597827 /nfs/dbraw/zinc/59/78/27/633597827.db2.gz HMXYPVTWLYJJLG-YUSALJHKSA-N -1 1 290.315 2.260 20 10 CECDMM CSCC[C@@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000825944624 635736598 /nfs/dbraw/zinc/73/65/98/635736598.db2.gz BVPDBKBBHFSDIJ-SSDOTTSWSA-N -1 1 273.329 2.108 20 10 CECDMM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1c([O-])c(O)ccc1F ZINC000842273258 639991853 /nfs/dbraw/zinc/99/18/53/639991853.db2.gz DCEFFBGMVAGNAV-HRDYMLBCSA-N -1 1 267.300 2.353 20 10 CECDMM O=C(C=Cc1ccco1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916590034 640784220 /nfs/dbraw/zinc/78/42/20/640784220.db2.gz ANNJXZUAGCSVRI-XQRVVYSFSA-N -1 1 288.255 2.130 20 10 CECDMM O=C(COC(=O)c1ccccc1F)c1ccc([O-])c(O)c1 ZINC000916589852 640784305 /nfs/dbraw/zinc/78/43/05/640784305.db2.gz AGZXADNCQZPXOA-UHFFFAOYSA-N -1 1 290.246 2.277 20 10 CECDMM CCCn1cccc1C=C1SC(=S)[N-]C1=O ZINC000918184258 640947481 /nfs/dbraw/zinc/94/74/81/640947481.db2.gz JFTAKYWDZFGHGK-VQHVLOKHSA-N -1 1 252.364 2.387 20 10 CECDMM CC(C)O[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000846658697 641378660 /nfs/dbraw/zinc/37/86/60/641378660.db2.gz FPJQRKIZVCMCSG-JTQLQIEISA-N -1 1 297.326 2.267 20 10 CECDMM CCN(Cc1ccc(F)c(F)c1[O-])C[C@@H](O)C(F)(F)F ZINC000877427944 650716626 /nfs/dbraw/zinc/71/66/26/650716626.db2.gz DPOIPMXAQOGEQB-SECBINFHSA-N -1 1 299.239 2.416 20 10 CECDMM CC(=O)c1cc(F)cc(C[N@@H+](CC(=O)[O-])C2CCC2)c1O ZINC000848600139 642072630 /nfs/dbraw/zinc/07/26/30/642072630.db2.gz YKJBUCNVFDIKBU-UHFFFAOYSA-N -1 1 295.310 2.173 20 10 CECDMM CC(=O)c1cc(F)cc(C[N@H+](CC(=O)[O-])C2CCC2)c1[O-] ZINC000848600139 642072637 /nfs/dbraw/zinc/07/26/37/642072637.db2.gz YKJBUCNVFDIKBU-UHFFFAOYSA-N -1 1 295.310 2.173 20 10 CECDMM CC(=O)c1cc(F)cc(C[N@@H+](CC(=O)[O-])C2CCC2)c1[O-] ZINC000848600139 642072645 /nfs/dbraw/zinc/07/26/45/642072645.db2.gz YKJBUCNVFDIKBU-UHFFFAOYSA-N -1 1 295.310 2.173 20 10 CECDMM CC(C)(C)OCCCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000857316824 644886205 /nfs/dbraw/zinc/88/62/05/644886205.db2.gz LADSJUXUSFCQGT-UHFFFAOYSA-N -1 1 285.315 2.172 20 10 CECDMM O=C(NCc1cccc(Br)c1[O-])c1cocn1 ZINC000765736096 645802956 /nfs/dbraw/zinc/80/29/56/645802956.db2.gz LINQFMDFLFQFRZ-UHFFFAOYSA-N -1 1 297.108 2.073 20 10 CECDMM Cc1occc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782520422 647633429 /nfs/dbraw/zinc/63/34/29/647633429.db2.gz DIVWIPARQUXAHW-UHFFFAOYSA-N -1 1 276.244 2.039 20 10 CECDMM Cc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(C)[nH]1 ZINC000782729373 647654600 /nfs/dbraw/zinc/65/46/00/647654600.db2.gz QYJGHPHIIIKXEO-UHFFFAOYSA-N -1 1 289.287 2.082 20 10 CECDMM O=C(COC(=O)[C@H]1CC12CCC2)c1ccc([O-])c(O)c1 ZINC000784141370 647810819 /nfs/dbraw/zinc/81/08/19/647810819.db2.gz XZLYJHKEILQDTD-SNVBAGLBSA-N -1 1 276.288 2.014 20 10 CECDMM [O-]c1c(F)cc(F)cc1CNc1cnn(CCF)c1 ZINC000883188704 652394411 /nfs/dbraw/zinc/39/44/11/652394411.db2.gz OTAROUZDIDOLJB-UHFFFAOYSA-N -1 1 271.242 2.449 20 10 CECDMM [O-]c1cc(F)c(F)cc1CN1CCO[C@@H](CCF)C1 ZINC001207128679 802802492 /nfs/dbraw/zinc/80/24/92/802802492.db2.gz DOYIWOSIAHBHPZ-JTQLQIEISA-N -1 1 275.270 2.231 20 10 CECDMM [O-]c1cccc(F)c1CN1CCO[C@H](c2ccncc2)C1 ZINC001137839625 809855341 /nfs/dbraw/zinc/85/53/41/809855341.db2.gz FXRUWZUQJHKGQU-INIZCTEOSA-N -1 1 288.322 2.500 20 10 CECDMM O=C(CNc1cnc(C2CC2)nc1)c1ccc([O-])c(O)c1 ZINC001170315410 812385218 /nfs/dbraw/zinc/38/52/18/812385218.db2.gz XNRKRQFCOPMLJG-UHFFFAOYSA-N -1 1 285.303 2.060 20 10 CECDMM C[C@]1(CO)CC(F)(F)CN1Cc1cccc(F)c1[O-] ZINC001138123956 815730750 /nfs/dbraw/zinc/73/07/50/815730750.db2.gz TUDWPWGJXXWQIY-GFCCVEGCSA-N -1 1 275.270 2.123 20 10 CECDMM O=C1CN(Cc2cccc(F)c2[O-])CCC[C@@H]1F ZINC001138122723 815731178 /nfs/dbraw/zinc/73/11/78/815731178.db2.gz YJDJNJHKUZRCMT-JTQLQIEISA-N -1 1 255.264 2.034 20 10 CECDMM CC(C)OC1CN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142530493 816681251 /nfs/dbraw/zinc/68/12/51/816681251.db2.gz IDGAZOUKZUTXGE-UHFFFAOYSA-N -1 1 257.280 2.280 20 10 CECDMM [O-]c1c(Cl)cccc1C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000187536095 369173991 /nfs/dbraw/zinc/17/39/91/369173991.db2.gz NZZZARFRNNPRFH-AWEZNQCLSA-N -1 1 283.755 2.037 20 10 CECDMM CO[C@@H]1[C@H](C)[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C1(C)C ZINC000295097309 378041668 /nfs/dbraw/zinc/04/16/68/378041668.db2.gz SWGWEQCUBNZCRH-HYJLZEBJSA-N -1 1 297.326 2.026 20 10 CECDMM CO[C@@H]1[C@H](C)[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C1(C)C ZINC000295097311 378041982 /nfs/dbraw/zinc/04/19/82/378041982.db2.gz SWGWEQCUBNZCRH-KEMBBXRSSA-N -1 1 297.326 2.026 20 10 CECDMM CC[C@@H](CSC)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000297344398 378682463 /nfs/dbraw/zinc/68/24/63/378682463.db2.gz BAVHAFRURMRYRJ-ZETCQYMHSA-N -1 1 273.329 2.108 20 10 CECDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2C)c1[O-] ZINC000037323449 173124182 /nfs/dbraw/zinc/12/41/82/173124182.db2.gz NDJVUPUHLWPHPR-SECBINFHSA-N -1 1 283.755 2.469 20 10 CECDMM C[C@@H](NCc1nnc2n1CCC2)c1ccc(F)c(F)c1[O-] ZINC000277001777 263039129 /nfs/dbraw/zinc/03/91/29/263039129.db2.gz ZHYXHIVFHXKJBE-MRVPVSSYSA-N -1 1 294.305 2.059 20 10 CECDMM [O-]c1c(F)cccc1CN1CCN(CC(F)(F)F)CC1 ZINC000166374559 331306926 /nfs/dbraw/zinc/30/69/26/331306926.db2.gz WKMQMBWXMWOZSK-UHFFFAOYSA-N -1 1 292.276 2.211 20 10 CECDMM CCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CC(F)F ZINC000278475889 521330230 /nfs/dbraw/zinc/33/02/30/521330230.db2.gz ILQLHSMZGMXPCJ-UHFFFAOYSA-N -1 1 290.266 2.396 20 10 CECDMM O=C([O-])[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000739582847 574488961 /nfs/dbraw/zinc/48/89/61/574488961.db2.gz KBLUXAZHMGTKIH-GFCCVEGCSA-N -1 1 286.331 2.237 20 10 CECDMM O=C([O-])[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000739582847 574488962 /nfs/dbraw/zinc/48/89/62/574488962.db2.gz KBLUXAZHMGTKIH-GFCCVEGCSA-N -1 1 286.331 2.237 20 10 CECDMM Cc1cc(O)c(CN2CCN(C(=O)[O-])[C@H](C)C2)cc1C ZINC000740088201 574941650 /nfs/dbraw/zinc/94/16/50/574941650.db2.gz FGEHXIBKZLIIBQ-GFCCVEGCSA-N -1 1 278.352 2.193 20 10 CECDMM O=C([O-])C1CC[NH+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000740482170 574955848 /nfs/dbraw/zinc/95/58/48/574955848.db2.gz NXGSGVHYCHILRW-UHFFFAOYSA-N -1 1 286.331 2.237 20 10 CECDMM CO[C@H](C)CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890757521 622928375 /nfs/dbraw/zinc/92/83/75/622928375.db2.gz GVVXOQIBYXWLOJ-MRVPVSSYSA-N -1 1 257.717 2.087 20 10 CECDMM CCc1nnsc1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890757468 622928639 /nfs/dbraw/zinc/92/86/39/622928639.db2.gz DXOMSCCRZIPXFP-UHFFFAOYSA-N -1 1 297.767 2.390 20 10 CECDMM O=C1[N-]C(=S)S/C1=C/c1ccnn1C1CCC1 ZINC000899335915 632788687 /nfs/dbraw/zinc/78/86/87/632788687.db2.gz KVEVFUFDWMIOCF-RMKNXTFCSA-N -1 1 265.363 2.097 20 10 CECDMM Cc1nc(SCC(=O)c2ccc([O-])c(O)c2)[nH]c1C ZINC000814778794 632894088 /nfs/dbraw/zinc/89/40/88/632894088.db2.gz WOXWRHSGQZGWHU-UHFFFAOYSA-N -1 1 278.333 2.413 20 10 CECDMM O=C(NCC[C@@H]1C[C@H]1C1CC1)c1c(F)ccc(O)c1[O-] ZINC000900204187 633586728 /nfs/dbraw/zinc/58/67/28/633586728.db2.gz DNVCBSTWGBCLOU-ZJUUUORDSA-N -1 1 279.311 2.403 20 10 CECDMM CC1(C)CC(CNC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000829728651 636918321 /nfs/dbraw/zinc/91/83/21/636918321.db2.gz PVCZNDINKYAJBD-UHFFFAOYSA-N -1 1 267.300 2.403 20 10 CECDMM O=S(=O)(CCCCF)Nc1ccc([O-])c(F)c1F ZINC000830185257 637002018 /nfs/dbraw/zinc/00/20/18/637002018.db2.gz YHFZSTBVCCUVBQ-UHFFFAOYSA-N -1 1 283.271 2.162 20 10 CECDMM O=C(c1c([O-])c(O)ccc1F)N1CCC(F)(F)CC1 ZINC000831015470 637217972 /nfs/dbraw/zinc/21/79/72/637217972.db2.gz XBXCOCXVEFNQQB-UHFFFAOYSA-N -1 1 275.226 2.108 20 10 CECDMM CC[C@H]([NH2+]Cc1cc(Br)ccc1[O-])C(=O)[O-] ZINC000843038239 640246686 /nfs/dbraw/zinc/24/66/86/640246686.db2.gz FPDCOXZVVSNROD-VIFPVBQESA-N -1 1 288.141 2.108 20 10 CECDMM CC(C)Cn1nccc1C=C1SC(=S)[N-]C1=O ZINC000843263616 640368486 /nfs/dbraw/zinc/36/84/86/640368486.db2.gz KEWYATOPTCUCFD-WEVVVXLNSA-N -1 1 267.379 2.028 20 10 CECDMM O=C([O-])C1(C[NH2+]Cc2cc(Cl)ccc2[O-])CCC1 ZINC000854244686 644022086 /nfs/dbraw/zinc/02/20/86/644022086.db2.gz PCOWZABCYHENHJ-UHFFFAOYSA-N -1 1 269.728 2.390 20 10 CECDMM COc1ccsc1C=C1SC(=S)[N-]C1=O ZINC000764415049 645637897 /nfs/dbraw/zinc/63/78/97/645637897.db2.gz ZBGCDSYHLUEGQN-DAXSKMNVSA-N -1 1 257.361 2.246 20 10 CECDMM CCC[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])OCC ZINC000863935939 646854631 /nfs/dbraw/zinc/85/46/31/646854631.db2.gz YDIQYCUOCWCLAD-SECBINFHSA-N -1 1 285.315 2.172 20 10 CECDMM C[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccco1 ZINC000783838677 647769858 /nfs/dbraw/zinc/76/98/58/647769858.db2.gz MGETYCPFVWQMHW-SECBINFHSA-N -1 1 290.271 2.220 20 10 CECDMM Cc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)oc1C ZINC000784231675 647822241 /nfs/dbraw/zinc/82/22/41/647822241.db2.gz SKXOVJDUCOQZFR-UHFFFAOYSA-N -1 1 290.271 2.347 20 10 CECDMM C[C@H]1CC[C@@H](C(=O)OCC(=O)c2ccc([O-])c(O)c2)C1 ZINC000784569029 647864351 /nfs/dbraw/zinc/86/43/51/647864351.db2.gz ZLGJWAKPHCMBJL-GXSJLCMTSA-N -1 1 278.304 2.260 20 10 CECDMM COc1ccc(CNC(=O)c2c([O-])cccc2F)c(O)c1 ZINC000794388318 648861069 /nfs/dbraw/zinc/86/10/69/648861069.db2.gz WITUUFYSSUMKBG-UHFFFAOYSA-N -1 1 291.278 2.176 20 10 CECDMM [O-]c1c(Cl)cc(F)cc1CN1CC[C@@H](F)[C@H](O)C1 ZINC001237807950 808257379 /nfs/dbraw/zinc/25/73/79/808257379.db2.gz OUSWYTVMSLZFFK-GHMZBOCLSA-N -1 1 277.698 2.089 20 10 CECDMM O=C(NCc1cccc(Cl)c1[O-])NOC1CCC1 ZINC001121833834 815359878 /nfs/dbraw/zinc/35/98/78/815359878.db2.gz SBYFIISJWUGYNN-UHFFFAOYSA-N -1 1 270.716 2.329 20 10 CECDMM Cc1nc(C)c(NCC(=O)c2ccc([O-])c(O)c2)nc1C ZINC001170315658 812385883 /nfs/dbraw/zinc/38/58/83/812385883.db2.gz FHYBQBPPZXWYMW-UHFFFAOYSA-N -1 1 287.319 2.108 20 10 CECDMM O=C(CNc1cccc(O)c1)c1ccc([O-])c(O)c1 ZINC001170320775 812386916 /nfs/dbraw/zinc/38/69/16/812386916.db2.gz NBFJQAGANVGOCM-UHFFFAOYSA-N -1 1 259.261 2.098 20 10 CECDMM Cc1nc(CCN(C)Cc2c(F)ccc(F)c2[O-])no1 ZINC001139683415 814731618 /nfs/dbraw/zinc/73/16/18/814731618.db2.gz CWQCNFPSLSZTHE-UHFFFAOYSA-N -1 1 283.278 2.036 20 10 CECDMM COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)N1Cc1c([O-])cccc1F ZINC001137841537 815694760 /nfs/dbraw/zinc/69/47/60/815694760.db2.gz IUXMPULRWBFDGV-ISTVAULSSA-N -1 1 279.311 2.057 20 10 CECDMM [O-]c1c(F)cccc1CN1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001138128555 815734325 /nfs/dbraw/zinc/73/43/25/815734325.db2.gz REJPNXOAFXTJQL-PEXQALLHSA-N -1 1 291.244 2.435 20 10 CECDMM [O-]c1cc(F)cc(F)c1CN1CC[C@H]2OCC[C@H]21 ZINC001140582765 816290933 /nfs/dbraw/zinc/29/09/33/816290933.db2.gz MHUHILXFIGTCEN-DGCLKSJQSA-N -1 1 255.264 2.034 20 10 CECDMM C[C@]1(CO)CC(F)(F)CN1Cc1cc(F)c(F)cc1[O-] ZINC001142508628 816677951 /nfs/dbraw/zinc/67/79/51/816677951.db2.gz FTVIWKARMRGDKT-GFCCVEGCSA-N -1 1 293.260 2.262 20 10 CECDMM CCOC(=O)C[N@H+](Cc1ccccc1O)C(C)C ZINC000179949620 368359513 /nfs/dbraw/zinc/35/95/13/368359513.db2.gz CBMKGNKTYRTIEM-UHFFFAOYSA-N -1 1 251.326 2.166 20 10 CECDMM O=C(N[C@H]1CCOC2(CCC2)C1)c1c(F)ccc(O)c1[O-] ZINC000295028158 378035827 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[O-]c1cc(Cl)c(Cl)cc1CN1CCn2nncc2C1 ZINC001236798096 808166563 /nfs/dbraw/zinc/16/65/63/808166563.db2.gz GKZAGKCLEJDVKV-UHFFFAOYSA-N -1 1 299.161 2.306 20 10 CECDMM O=C(CNc1nccc2ccncc21)c1ccc([O-])c(O)c1 ZINC001170314667 812385266 /nfs/dbraw/zinc/38/52/66/812385266.db2.gz XPZHODBVFTWYNQ-UHFFFAOYSA-N -1 1 295.298 2.336 20 10 CECDMM Cc1cccnc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170314129 812386010 /nfs/dbraw/zinc/38/60/10/812386010.db2.gz OOHCNNXXJBOCJZ-UHFFFAOYSA-N -1 1 258.277 2.096 20 10 CECDMM O=C(CNc1nccc2cc[nH]c21)c1ccc([O-])c(O)c1 ZINC001170321744 812386536 /nfs/dbraw/zinc/38/65/36/812386536.db2.gz FKOGJPHKYZIXTG-UHFFFAOYSA-N -1 1 283.287 2.269 20 10 CECDMM Cc1ccsc1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001147118550 814385021 /nfs/dbraw/zinc/38/50/21/814385021.db2.gz VBVKCHGVHGZERK-UHFFFAOYSA-N -1 1 291.328 2.080 20 10 CECDMM [O-]c1c(F)cccc1CN1CCO[C@H](c2ccccn2)C1 ZINC001138128494 815732954 /nfs/dbraw/zinc/73/29/54/815732954.db2.gz NTXRNPOSFGKAEF-HNNXBMFYSA-N -1 1 288.322 2.500 20 10 CECDMM O=C1CCN(Cc2cc(F)c(F)cc2[O-])CC[C@H]1F ZINC001142508573 816677936 /nfs/dbraw/zinc/67/79/36/816677936.db2.gz DCTYOHIEAJXTFY-SECBINFHSA-N -1 1 273.254 2.173 20 10 CECDMM C[C@H](N[C@@H](C)c1ccc(F)c(F)c1[O-])c1nncn1C ZINC000276896663 299344916 /nfs/dbraw/zinc/34/49/16/299344916.db2.gz INBQECQIBGRBQX-YUMQZZPRSA-N -1 1 282.294 2.211 20 10 CECDMM [O-]c1c(Cl)cccc1CN1CCOC2(CCOCC2)C1 ZINC000180699440 368393496 /nfs/dbraw/zinc/39/34/96/368393496.db2.gz PYEWFWNPFRIYOA-UHFFFAOYSA-N -1 1 297.782 2.427 20 10 CECDMM CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000273407103 373754928 /nfs/dbraw/zinc/75/49/28/373754928.db2.gz ORFPYTFZRLAYES-IUCAKERBSA-N -1 1 270.760 2.221 20 10 CECDMM CSC(C)(C)CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000295427460 378152605 /nfs/dbraw/zinc/15/26/05/378152605.db2.gz WJYQRWUKOVBBNE-UHFFFAOYSA-N -1 1 273.329 2.108 20 10 CECDMM CC[C@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@H]1O ZINC000294148581 265000081 /nfs/dbraw/zinc/00/00/81/265000081.db2.gz HWRJLWMOYKWSPW-ISVAXAHUSA-N -1 1 273.735 2.387 20 10 CECDMM CC[N@H+](CCC(=O)[O-])Cc1c([O-])ccc2ccncc21 ZINC000737096516 574809605 /nfs/dbraw/zinc/80/96/05/574809605.db2.gz OOWBKODLNDGOLC-UHFFFAOYSA-N -1 1 274.320 2.237 20 10 CECDMM CC[N@@H+](CCC(=O)[O-])Cc1c([O-])ccc2ccncc21 ZINC000737096516 574809606 /nfs/dbraw/zinc/80/96/06/574809606.db2.gz OOWBKODLNDGOLC-UHFFFAOYSA-N -1 1 274.320 2.237 20 10 CECDMM O=C1[N-]C(=S)S/C1=C/c1cnc2ccc(Cl)cn12 ZINC000737444948 574834585 /nfs/dbraw/zinc/83/45/85/574834585.db2.gz WCZDPWRYMZUCSP-FPYGCLRLSA-N -1 1 295.776 2.477 20 10 CECDMM C[C@@H](C(=O)[O-])[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000235492178 598130774 /nfs/dbraw/zinc/13/07/74/598130774.db2.gz PHLUJJJVMLCUKV-ZETCQYMHSA-N -1 1 288.141 2.060 20 10 CECDMM C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000235492178 598130776 /nfs/dbraw/zinc/13/07/76/598130776.db2.gz PHLUJJJVMLCUKV-ZETCQYMHSA-N -1 1 288.141 2.060 20 10 CECDMM C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000819895163 598131565 /nfs/dbraw/zinc/13/15/65/598131565.db2.gz ABFRGVYWSWPFBW-ZETCQYMHSA-N -1 1 288.141 2.060 20 10 CECDMM CCC[N@H+](CC(=O)[O-])Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000184905404 601194961 /nfs/dbraw/zinc/19/49/61/601194961.db2.gz TYTOBSBGYTXMCY-UHFFFAOYSA-N -1 1 283.299 2.031 20 10 CECDMM CCC[N@@H+](CC(=O)[O-])Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000184905404 601194962 /nfs/dbraw/zinc/19/49/62/601194962.db2.gz TYTOBSBGYTXMCY-UHFFFAOYSA-N -1 1 283.299 2.031 20 10 CECDMM O=C([O-])NC[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000834226056 605992371 /nfs/dbraw/zinc/99/23/71/605992371.db2.gz SDMOOKZKZJVBFA-SECBINFHSA-N -1 1 284.743 2.135 20 10 CECDMM CC(C)OCCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890758345 622929721 /nfs/dbraw/zinc/92/97/21/622929721.db2.gz VYYLTRBXTAPGAG-UHFFFAOYSA-N -1 1 271.744 2.477 20 10 CECDMM COC(=O)C[C@H](C)CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890759243 622930218 /nfs/dbraw/zinc/93/02/18/622930218.db2.gz IEDIKXVRTCWSAK-SECBINFHSA-N -1 1 299.754 2.251 20 10 CECDMM O=C(CC[C@@H]1CCOC1)NCc1cccc(Cl)c1[O-] ZINC000890760301 622932681 /nfs/dbraw/zinc/93/26/81/622932681.db2.gz NRXSEDUSUDHQGL-SNVBAGLBSA-N -1 1 283.755 2.479 20 10 CECDMM Cc1nnc(CC(=O)NCc2cccc(Cl)c2[O-])s1 ZINC000890761520 622933464 /nfs/dbraw/zinc/93/34/64/622933464.db2.gz USTOLOIHMNQLTJ-UHFFFAOYSA-N -1 1 297.767 2.064 20 10 CECDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCC(=O)C1 ZINC000890761792 622933523 /nfs/dbraw/zinc/93/35/23/622933523.db2.gz YDRWWJAQMVUKIT-QMMMGPOBSA-N -1 1 267.712 2.031 20 10 CECDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@H]1CCCOC1 ZINC000892205313 624414084 /nfs/dbraw/zinc/41/40/84/624414084.db2.gz HMKZVKCZSCVZGV-SNVBAGLBSA-N -1 1 298.770 2.271 20 10 CECDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CC[C@H](O)CC1 ZINC000893819700 629009841 /nfs/dbraw/zinc/00/98/41/629009841.db2.gz PFDUYKDUWKEENF-XYPYZODXSA-N -1 1 298.770 2.148 20 10 CECDMM Cc1cc(Br)c([O-])c(CN2CC(C)(O)C2)c1 ZINC000877581090 629203933 /nfs/dbraw/zinc/20/39/33/629203933.db2.gz MZEGPIYSBGMRTP-UHFFFAOYSA-N -1 1 286.169 2.030 20 10 CECDMM CC1(C)OCC[C@H]1NC(=O)NCc1cccc(Cl)c1[O-] ZINC000895118221 629919213 /nfs/dbraw/zinc/91/92/13/629919213.db2.gz XSXSZEIPUDLAJP-LLVKDONJSA-N -1 1 298.770 2.412 20 10 CECDMM CO[C@H]1C[C@@H](CNC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000896058283 630450879 /nfs/dbraw/zinc/45/08/79/630450879.db2.gz LMYVPNWWAAMPSX-JGZJWPJOSA-N -1 1 298.770 2.270 20 10 CECDMM CC(C)CC[C@@](C)(O)CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000826128367 635764507 /nfs/dbraw/zinc/76/45/07/635764507.db2.gz KWXYEGKGZBMSJA-OAHLLOKOSA-N -1 1 299.342 2.154 20 10 CECDMM CC(C)[C@@H](C)CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000825997822 635743253 /nfs/dbraw/zinc/74/32/53/635743253.db2.gz PZPYXSASOPUJGY-QMMMGPOBSA-N -1 1 255.289 2.259 20 10 CECDMM CN(CCOC(C)(C)C)C(=O)c1c(F)ccc(O)c1[O-] ZINC000827060343 636202421 /nfs/dbraw/zinc/20/24/21/636202421.db2.gz VEJNISGNOIGYRR-UHFFFAOYSA-N -1 1 285.315 2.124 20 10 CECDMM [O-]c1c(F)cc(F)cc1CNc1nc2n(n1)CCCC2 ZINC000905414397 636264190 /nfs/dbraw/zinc/26/41/90/636264190.db2.gz LLTQFDGRSSIAQB-UHFFFAOYSA-N -1 1 280.278 2.210 20 10 CECDMM CC1=C[C@H](C)CN(C(=O)c2c([O-])c(O)ccc2F)C1 ZINC000831086772 637227606 /nfs/dbraw/zinc/22/76/06/637227606.db2.gz SJEGPYIINXTETC-QMMMGPOBSA-N -1 1 265.284 2.275 20 10 CECDMM C[C@@H]1CCC[C@@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000831190928 637250013 /nfs/dbraw/zinc/25/00/13/637250013.db2.gz LHDKIWNDGMDTOL-RKDXNWHRSA-N -1 1 267.300 2.403 20 10 CECDMM CCn1[nH]c(C)nc1=NCc1c([O-])ccc(Cl)c1F ZINC000840887592 639574208 /nfs/dbraw/zinc/57/42/08/639574208.db2.gz MJDIOMLOARIXGM-UHFFFAOYSA-N -1 1 284.722 2.139 20 10 CECDMM O=C(c1c([O-])c(O)ccc1F)N1CC[C@]2(CC2(F)F)C1 ZINC000846662666 641380404 /nfs/dbraw/zinc/38/04/04/641380404.db2.gz WSMMIPCHMVWDIU-LBPRGKRZSA-N -1 1 287.237 2.108 20 10 CECDMM COc1ccc(O)c(CNC(=O)c2c([O-])cccc2F)c1 ZINC000184986246 641925571 /nfs/dbraw/zinc/92/55/71/641925571.db2.gz SORLRMWNPSMITO-UHFFFAOYSA-N -1 1 291.278 2.176 20 10 CECDMM CC/C(C)=C\C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000838040381 643825003 /nfs/dbraw/zinc/82/50/03/643825003.db2.gz IWVSXTMKBWXHCF-TWGQIWQCSA-N -1 1 264.277 2.180 20 10 CECDMM CCOC(=O)[C@H](C)C1CN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000877830334 650925373 /nfs/dbraw/zinc/92/53/73/650925373.db2.gz GHKVQLNBBCEHKI-SECBINFHSA-N -1 1 299.317 2.301 20 10 CECDMM C[C@]1(CNC(=O)c2c(F)ccc(O)c2[O-])CC1(F)F ZINC000857322408 644887384 /nfs/dbraw/zinc/88/73/84/644887384.db2.gz YKVUVFRQGUAIBB-LLVKDONJSA-N -1 1 275.226 2.012 20 10 CECDMM CCC[C@H](OCC)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000859837116 645625659 /nfs/dbraw/zinc/62/56/59/645625659.db2.gz BDOZQJBPPANQQK-AWEZNQCLSA-N -1 1 296.319 2.029 20 10 CECDMM CSC1(C(=O)OCC(=O)c2ccc([O-])c(O)c2)CCC1 ZINC000787236353 648089264 /nfs/dbraw/zinc/08/92/64/648089264.db2.gz WVVFVJKKEBLQIN-UHFFFAOYSA-N -1 1 296.344 2.109 20 10 CECDMM COc1nn(C)cc1NCc1cccc(Cl)c1[O-] ZINC000789587008 648320182 /nfs/dbraw/zinc/32/01/82/648320182.db2.gz URAMZEADIOTXHT-UHFFFAOYSA-N -1 1 267.716 2.400 20 10 CECDMM CCN(CC(=O)NC)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000132611992 652538916 /nfs/dbraw/zinc/53/89/16/652538916.db2.gz PMEHWZOPGFVVCY-UHFFFAOYSA-N -1 1 291.178 2.267 20 10 CECDMM CC(=O)[C@@H]1CCCN1Cc1cc(F)c(F)cc1[O-] ZINC001142534809 806623592 /nfs/dbraw/zinc/62/35/92/806623592.db2.gz XQGXQQRMKTVIAN-LBPRGKRZSA-N -1 1 255.264 2.224 20 10 CECDMM Cc1cc(F)ncc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170315838 812384908 /nfs/dbraw/zinc/38/49/08/812384908.db2.gz HNGZEFLXMWWCJL-UHFFFAOYSA-N -1 1 276.267 2.235 20 10 CECDMM [O-]c1cccc(F)c1CN1CCO[C@@H](c2ccccn2)C1 ZINC001137839208 815693885 /nfs/dbraw/zinc/69/38/85/815693885.db2.gz WKVYFBVIRPHEBK-MRXNPFEDSA-N -1 1 288.322 2.500 20 10 CECDMM N[C@@]1(C(F)(F)F)CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001206236789 816117268 /nfs/dbraw/zinc/11/72/68/816117268.db2.gz CZDRHGQESADLTB-NSHDSACASA-N -1 1 296.239 2.136 20 10 CECDMM CCN1CCC[N@H+](Cc2cc(Cl)ccc2O)CC1=O ZINC000191538033 369721546 /nfs/dbraw/zinc/72/15/46/369721546.db2.gz XWPXEGQQXDOVDL-UHFFFAOYSA-N -1 1 282.771 2.100 20 10 CECDMM COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000295254702 378072786 /nfs/dbraw/zinc/07/27/86/378072786.db2.gz GIDNVBRWNXMEHP-MRVPVSSYSA-N -1 1 287.718 2.180 20 10 CECDMM CCc1nc(C)c(CNC(=O)c2c(F)ccc(O)c2[O-])o1 ZINC000295393029 378136216 /nfs/dbraw/zinc/13/62/16/378136216.db2.gz RRNMNHBAIPOQNN-UHFFFAOYSA-N -1 1 294.282 2.026 20 10 CECDMM C[C@H](C(=O)NC1CCCC1)N(C)Cc1ccccc1O ZINC000109773410 394734910 /nfs/dbraw/zinc/73/49/10/394734910.db2.gz BFYANOCTDQCURM-GFCCVEGCSA-N -1 1 276.380 2.271 20 10 CECDMM CCSCC[C@@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000276508235 521713189 /nfs/dbraw/zinc/71/31/89/521713189.db2.gz AUHGFJQOEDWLBA-MRVPVSSYSA-N -1 1 287.356 2.498 20 10 CECDMM CC[C@@H](C)CN(C)C(=O)c1c([O-])c(O)ccc1F ZINC000276548010 521965250 /nfs/dbraw/zinc/96/52/50/521965250.db2.gz HCTSHIQROSLDBQ-MRVPVSSYSA-N -1 1 255.289 2.355 20 10 CECDMM [O-]c1c(Cl)cccc1CN1CCC[C@](F)(CO)C1 ZINC000289775470 527600768 /nfs/dbraw/zinc/60/07/68/527600768.db2.gz KWBAMRBJINLMGZ-CYBMUJFWSA-N -1 1 273.735 2.342 20 10 CECDMM CC(=O)c1cc(Cl)cc(C[NH2+]C(C)(C)C(=O)[O-])c1[O-] ZINC000825946742 601412988 /nfs/dbraw/zinc/41/29/88/601412988.db2.gz OELSJEPKLROFRE-UHFFFAOYSA-N -1 1 285.727 2.201 20 10 CECDMM C[C@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)C[C@H]1C(=O)[O-] ZINC000828457425 601814297 /nfs/dbraw/zinc/81/42/97/601814297.db2.gz UODJTDWLUAUPRG-GXFFZTMASA-N -1 1 286.331 2.093 20 10 CECDMM C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)C[C@H]1C(=O)[O-] ZINC000828457425 601814298 /nfs/dbraw/zinc/81/42/98/601814298.db2.gz UODJTDWLUAUPRG-GXFFZTMASA-N -1 1 286.331 2.093 20 10 CECDMM COCc1ccc(C=C2SC(=S)[N-]C2=O)cc1 ZINC000255774875 625519149 /nfs/dbraw/zinc/51/91/49/625519149.db2.gz PJTQZTMIJZTXHT-POHAHGRESA-N -1 1 265.359 2.322 20 10 CECDMM CCO[C@@H]1C[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890758462 622929688 /nfs/dbraw/zinc/92/96/88/622929688.db2.gz ZDVPTKHPOKUUGZ-MWLCHTKSSA-N -1 1 269.728 2.087 20 10 CECDMM COC1(C(=O)NCc2cccc(Cl)c2[O-])CCC1 ZINC000890759188 622930148 /nfs/dbraw/zinc/93/01/48/622930148.db2.gz GCIAJDWLPKNWFV-UHFFFAOYSA-N -1 1 269.728 2.231 20 10 CECDMM CC(C)(O)CCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890759876 622931534 /nfs/dbraw/zinc/93/15/34/622931534.db2.gz UAEFXWCMXYVUKP-UHFFFAOYSA-N -1 1 271.744 2.213 20 10 CECDMM CC[C@](C)(OC)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759392 622931618 /nfs/dbraw/zinc/93/16/18/622931618.db2.gz KRDSVKVRBXWFRG-ZDUSSCGKSA-N -1 1 271.744 2.477 20 10 CECDMM C[C@](O)(C(=O)NCc1cccc(Cl)c1[O-])C1CCC1 ZINC000890759972 622931760 /nfs/dbraw/zinc/93/17/60/622931760.db2.gz XOMVZURCLWPBJO-CQSZACIVSA-N -1 1 283.755 2.213 20 10 CECDMM O=C(c1c([O-])c(O)ccc1F)N1C2CCC1CC2 ZINC000824091552 635346197 /nfs/dbraw/zinc/34/61/97/635346197.db2.gz JOWRHENLVAMESX-UHFFFAOYSA-N -1 1 251.257 2.004 20 10 CECDMM CC[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])C(F)F ZINC000824510757 635439531 /nfs/dbraw/zinc/43/95/31/635439531.db2.gz ZQQCQAFUHQSWAX-MRVPVSSYSA-N -1 1 290.266 2.442 20 10 CECDMM O=C(NCCC1CCC1)c1c(F)ccc(O)c1[O-] ZINC000826818495 635854670 /nfs/dbraw/zinc/85/46/70/635854670.db2.gz PLFCLYOTBTZUOD-UHFFFAOYSA-N -1 1 253.273 2.157 20 10 CECDMM 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/nfs/dbraw/zinc/16/54/11/808165411.db2.gz FFMQRVIRNWKBLH-ZETCQYMHSA-N -1 1 289.162 2.019 20 10 CECDMM COCCn1cc(NCc2cc(F)cc(F)c2[O-])cn1 ZINC000708479978 809919887 /nfs/dbraw/zinc/91/98/87/809919887.db2.gz CGESXCRLUCVZOG-UHFFFAOYSA-N -1 1 283.278 2.125 20 10 CECDMM CC[C@@H](C)S(=O)(=O)Nc1ccc([O-])c(F)c1F ZINC001260739150 812157167 /nfs/dbraw/zinc/15/71/67/812157167.db2.gz HNGAPQXLZBFOKA-ZCFIWIBFSA-N -1 1 265.281 2.211 20 10 CECDMM Cc1ccnc(NCC(=O)c2ccc([O-])c(O)c2)c1C ZINC001170316721 812385980 /nfs/dbraw/zinc/38/59/80/812385980.db2.gz LJFCTNORJGBESG-UHFFFAOYSA-N -1 1 272.304 2.404 20 10 CECDMM O=C(CNc1cccc2c1CCN2)c1ccc([O-])c(O)c1 ZINC001170321722 812387884 /nfs/dbraw/zinc/38/78/84/812387884.db2.gz DQOFPKCXEAFXPU-UHFFFAOYSA-N -1 1 284.315 2.361 20 10 CECDMM CCn1ccnc1[C@@H](C)NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000825004977 813808618 /nfs/dbraw/zinc/80/86/18/813808618.db2.gz AMGYSVYNIMUHAB-SNVBAGLBSA-N -1 1 290.323 2.368 20 10 CECDMM CCOC(=O)[C@@H]1CCCN1Cc1c([O-])cccc1F ZINC001137839219 815694648 /nfs/dbraw/zinc/69/46/48/815694648.db2.gz XHLRLIRYKNLELR-LBPRGKRZSA-N -1 1 267.300 2.059 20 10 CECDMM Cc1cc(=O)oc2c1ccc([O-])c2CN1CC[C@H](F)C1 ZINC001139127407 815965330 /nfs/dbraw/zinc/96/53/30/815965330.db2.gz VWYTZOUVJADLEC-JTQLQIEISA-N -1 1 277.295 2.351 20 10 CECDMM CCC(=O)NC1CCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139682663 816081842 /nfs/dbraw/zinc/08/18/42/816081842.db2.gz APDDWXCSUIUVNM-UHFFFAOYSA-N -1 1 298.333 2.161 20 10 CECDMM O=C(NCc1c(O)cccc1O)c1ccc(Cl)cc1[O-] ZINC001178911066 816812406 /nfs/dbraw/zinc/81/24/06/816812406.db2.gz KDUXHYDLLDMCCL-UHFFFAOYSA-N -1 1 293.706 2.387 20 10 CECDMM COc1ccnc(CN(C)Cc2ccccc2O)c1 ZINC000111235370 364724252 /nfs/dbraw/zinc/72/42/52/364724252.db2.gz LSPVHMRHCIHSTJ-UHFFFAOYSA-N -1 1 258.321 2.428 20 10 CECDMM Oc1cccc(Cl)c1C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000274416726 373913776 /nfs/dbraw/zinc/91/37/76/373913776.db2.gz KHIAVCIXDUVKGN-CQSZACIVSA-N -1 1 283.755 2.037 20 10 CECDMM O=C(NC[C@H]1CC=CCC1)c1c(F)ccc(O)c1[O-] ZINC000295038573 378035352 /nfs/dbraw/zinc/03/53/52/378035352.db2.gz JBIRORJKSMFXRC-VIFPVBQESA-N -1 1 265.284 2.323 20 10 CECDMM O=C(NCC1CCSCC1)c1c(F)ccc(O)c1[O-] ZINC000295371412 378124852 /nfs/dbraw/zinc/12/48/52/378124852.db2.gz WSODNBVPXWIAJP-UHFFFAOYSA-N -1 1 285.340 2.110 20 10 CECDMM OC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000295521222 378195312 /nfs/dbraw/zinc/19/53/12/378195312.db2.gz ZXNCJOYLRDQRKX-VIFPVBQESA-N -1 1 259.708 2.141 20 10 CECDMM CN1CCCc2cc(CNC(=O)c3cncc([O-])c3)ccc21 ZINC000171867922 395099580 /nfs/dbraw/zinc/09/95/80/395099580.db2.gz GJKFVDUGZYFHHP-UHFFFAOYSA-N -1 1 297.358 2.100 20 10 CECDMM CC(=O)c1cc(F)cc(C[NH+]2CCC(C(=O)[O-])CC2)c1[O-] ZINC000817723455 601147104 /nfs/dbraw/zinc/14/71/04/601147104.db2.gz AKYDBDGPIYQZKO-UHFFFAOYSA-N -1 1 295.310 2.031 20 10 CECDMM CC(C)[C@H](C[NH2+]Cc1cc(Cl)ccc1[O-])NC(=O)[O-] ZINC000833793746 606008789 /nfs/dbraw/zinc/00/87/89/606008789.db2.gz VQQPCROLRJZJBC-NSHDSACASA-N -1 1 286.759 2.427 20 10 CECDMM CCOCCCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890757389 622928697 /nfs/dbraw/zinc/92/86/97/622928697.db2.gz CIODMMUALGMAIA-UHFFFAOYSA-N -1 1 271.744 2.479 20 10 CECDMM O=C(CCOCC(F)F)NCc1cccc(Cl)c1[O-] ZINC000890759549 622931182 /nfs/dbraw/zinc/93/11/82/622931182.db2.gz NVWFJTDQHUOROM-UHFFFAOYSA-N -1 1 293.697 2.334 20 10 CECDMM O=C(NCc1cccc(Cl)c1[O-])C1CCC(O)CC1 ZINC000890759699 622931787 /nfs/dbraw/zinc/93/17/87/622931787.db2.gz OYYFSNRNVINMGF-UHFFFAOYSA-N -1 1 283.755 2.213 20 10 CECDMM CCC(C)(C)[C@H](O)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890761799 622933383 /nfs/dbraw/zinc/93/33/83/622933383.db2.gz YMBJMPUAPRCHIK-GFCCVEGCSA-N -1 1 285.771 2.459 20 10 CECDMM CCn1ccc(CC(=O)NCc2cccc(Cl)c2[O-])n1 ZINC000890761803 622933587 /nfs/dbraw/zinc/93/35/87/622933587.db2.gz YQKYLWTYJDIVHY-UHFFFAOYSA-N -1 1 293.754 2.121 20 10 CECDMM COc1ccc(O)c(CNC(=O)c2cc(F)ccc2[O-])c1 ZINC000177163659 625626307 /nfs/dbraw/zinc/62/63/07/625626307.db2.gz BFCOSDLTRHKFEQ-UHFFFAOYSA-N -1 1 291.278 2.176 20 10 CECDMM CN1CCCc2cc(C=C3SC(=O)[N-]C3=O)ccc21 ZINC000166132591 627632643 /nfs/dbraw/zinc/63/26/43/627632643.db2.gz KTRZJIWPLRPICO-XYOKQWHBSA-N -1 1 274.345 2.393 20 10 CECDMM O=C(NCc1cccc(Cl)c1[O-])NCC1=CCCOC1 ZINC000894861931 629699178 /nfs/dbraw/zinc/69/91/78/629699178.db2.gz YXMUERUHTHAJCQ-UHFFFAOYSA-N -1 1 296.754 2.192 20 10 CECDMM O=C(Nc1ccc2c(=O)cc[nH]c2c1)c1cccc(O)c1[O-] ZINC000807367275 631835225 /nfs/dbraw/zinc/83/52/25/631835225.db2.gz OWDJXOHUOXMASH-UHFFFAOYSA-N -1 1 296.282 2.192 20 10 CECDMM C[C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2[O-])c2nccn21 ZINC000825017911 635540084 /nfs/dbraw/zinc/54/00/84/635540084.db2.gz ZVHGVAUKFHEACN-BXKDBHETSA-N -1 1 288.307 2.293 20 10 CECDMM Cc1cc(N(C)C)ccc1C[N-]C(=O)C(F)(F)F ZINC000115490800 644959278 /nfs/dbraw/zinc/95/92/78/644959278.db2.gz RPPZMONZZRTKHF-UHFFFAOYSA-N -1 1 260.259 2.240 20 10 CECDMM COC[C@@]1(C)CN(Cc2cccc(Cl)c2[O-])CCO1 ZINC000862552380 646496694 /nfs/dbraw/zinc/49/66/94/646496694.db2.gz XJEXZUDHLULIHQ-CQSZACIVSA-N -1 1 285.771 2.283 20 10 CECDMM C[C@@H](NC(=O)c1ncccc1[O-])c1ccc(N(C)C)cc1 ZINC000776270466 647044547 /nfs/dbraw/zinc/04/45/47/647044547.db2.gz UCXPDQRHIKKWGI-LLVKDONJSA-N -1 1 285.347 2.344 20 10 CECDMM CC1(C(=O)OCC(=O)c2ccc([O-])c(O)c2)CCCC1 ZINC000782231296 647604831 /nfs/dbraw/zinc/60/48/31/647604831.db2.gz JPASTAKGMWALRK-UHFFFAOYSA-N -1 1 278.304 2.404 20 10 CECDMM O=C(COC(=O)c1cc(Cl)c[nH]1)c1ccc([O-])c(O)c1 ZINC000782557448 647637060 /nfs/dbraw/zinc/63/70/60/647637060.db2.gz FOSXMNVBHYAHIC-UHFFFAOYSA-N -1 1 295.678 2.119 20 10 CECDMM Cc1ccc(CN(C)C(=O)c2c([O-])c(O)ccc2F)o1 ZINC000789938855 648360259 /nfs/dbraw/zinc/36/02/59/648360259.db2.gz GMRVNHHOGRVADY-UHFFFAOYSA-N -1 1 279.267 2.411 20 10 CECDMM O=C(NCCc1ccccc1F)c1c([O-])c(O)ccc1F ZINC000789944201 648361460 /nfs/dbraw/zinc/36/14/60/648361460.db2.gz NHCCMUNAZDEGNW-UHFFFAOYSA-N -1 1 293.269 2.349 20 10 CECDMM O=C([O-])[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000874049440 649742711 /nfs/dbraw/zinc/74/27/11/649742711.db2.gz ACYCUNYWZFDXGH-SNVBAGLBSA-N -1 1 269.728 2.342 20 10 CECDMM O=C([O-])C[N@@H+](Cc1c([O-])cccc1Cl)CC1CC1 ZINC000128810026 651596249 /nfs/dbraw/zinc/59/62/49/651596249.db2.gz QZHWKELQYWTBPL-UHFFFAOYSA-N -1 1 269.728 2.342 20 10 CECDMM O=C([O-])C[N@H+](Cc1c([O-])cccc1Cl)CC1CC1 ZINC000128810026 651596255 /nfs/dbraw/zinc/59/62/55/651596255.db2.gz QZHWKELQYWTBPL-UHFFFAOYSA-N -1 1 269.728 2.342 20 10 CECDMM [O-]c1cc(F)c(F)cc1CN1CC2(C1)CC(F)(F)CO2 ZINC001142527494 806620396 /nfs/dbraw/zinc/62/03/96/806620396.db2.gz WVZMWBHVACXSAX-UHFFFAOYSA-N -1 1 291.244 2.280 20 10 CECDMM O=C(COC(=O)[C@@H]1CCC[C@H](F)C1)c1ccc([O-])c(O)c1 ZINC001118158288 810079271 /nfs/dbraw/zinc/07/92/71/810079271.db2.gz DKFMMHBHZPAPPQ-MNOVXSKESA-N -1 1 296.294 2.352 20 10 CECDMM CC[C@H](C)S(=O)(=O)Nc1ccc([O-])c(F)c1F ZINC001260739118 812156922 /nfs/dbraw/zinc/15/69/22/812156922.db2.gz HNGAPQXLZBFOKA-LURJTMIESA-N -1 1 265.281 2.211 20 10 CECDMM Cc1ncc(Cl)c(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001170316893 812384606 /nfs/dbraw/zinc/38/46/06/812384606.db2.gz UJVNDCKYTUUQDA-UHFFFAOYSA-N -1 1 293.710 2.144 20 10 CECDMM COc1cc2c(cn1)CCN(Cc1c([O-])cccc1F)C2 ZINC001137841573 815694403 /nfs/dbraw/zinc/69/44/03/815694403.db2.gz KGUNJNAWOQDWSJ-UHFFFAOYSA-N -1 1 288.322 2.493 20 10 CECDMM CC(=O)[C@@H]1CCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140584511 816293279 /nfs/dbraw/zinc/29/32/79/816293279.db2.gz USQZKDTWENNBBQ-SECBINFHSA-N -1 1 255.264 2.081 20 10 CECDMM O=C(NCc1cccc(O)c1O)c1cc(Cl)ccc1[O-] ZINC001176564677 816443020 /nfs/dbraw/zinc/44/30/20/816443020.db2.gz CWWOATLNHQUKKX-UHFFFAOYSA-N -1 1 293.706 2.387 20 10 CECDMM CN(Cc1cc(F)c(F)cc1[O-])Cc1ncccn1 ZINC001142508930 816677732 /nfs/dbraw/zinc/67/77/32/816677732.db2.gz QFFCPEQRNGBROA-UHFFFAOYSA-N -1 1 265.263 2.092 20 10 CECDMM COCCC1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000530264375 380198883 /nfs/dbraw/zinc/19/88/83/380198883.db2.gz KANLWPLCNPWHLR-UHFFFAOYSA-N -1 1 297.326 2.126 20 10 CECDMM O=C(NCc1c(O)ccc2c1CCCC2)c1cncc([O-])c1 ZINC000174516917 395125391 /nfs/dbraw/zinc/12/53/91/395125391.db2.gz PZAXDVIINWODNK-UHFFFAOYSA-N -1 1 298.342 2.302 20 10 CECDMM CO[C@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1(C)C ZINC000296220698 294546704 /nfs/dbraw/zinc/54/67/04/294546704.db2.gz VFFCBBVQWYWQFN-NSHDSACASA-N -1 1 297.326 2.124 20 10 CECDMM O=[N+]([O-])c1cc(Cl)cc(CN2CC3(C2)CCOC3)c1[O-] ZINC000294039623 328546756 /nfs/dbraw/zinc/54/67/56/328546756.db2.gz OWCOJWJKXQVSEI-UHFFFAOYSA-N -1 1 298.726 2.176 20 10 CECDMM COc1c([O-])c(CN2CCC=C(F)C2)ccc1[N+](=O)[O-] ZINC000278540981 521869916 /nfs/dbraw/zinc/86/99/16/521869916.db2.gz XFSDUJBIHIRSIH-UHFFFAOYSA-N -1 1 282.271 2.368 20 10 CECDMM CO[C@@]1(C)C[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C1(C)C ZINC000276610539 523813047 /nfs/dbraw/zinc/81/30/47/523813047.db2.gz PNLOPYSXZDKXGE-BONVTDFDSA-N -1 1 297.326 2.170 20 10 CECDMM O=S(=O)(Nc1ccc([O-])c(Cl)c1)N1CCCCC1 ZINC000085204662 527249416 /nfs/dbraw/zinc/24/94/16/527249416.db2.gz LSLFLDIDIRHWNW-UHFFFAOYSA-N -1 1 290.772 2.188 20 10 CECDMM Cc1cc(N(C)C)ccc1C=C1SC(=O)[N-]C1=O ZINC000874929524 649871503 /nfs/dbraw/zinc/87/15/03/649871503.db2.gz GNCSJIBDLINELZ-XFFZJAGNSA-N -1 1 262.334 2.385 20 10 CECDMM CC(C)(CC(=O)[O-])[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000736311536 574782174 /nfs/dbraw/zinc/78/21/74/574782174.db2.gz XCPPUXUROGJVNO-UHFFFAOYSA-N -1 1 257.717 2.389 20 10 CECDMM C[C@@]1(C(=O)[O-])CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000086778752 604676436 /nfs/dbraw/zinc/67/64/36/604676436.db2.gz ZIFMHASPOZWTCI-CYBMUJFWSA-N -1 1 269.728 2.342 20 10 CECDMM C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000086778752 604676440 /nfs/dbraw/zinc/67/64/40/604676440.db2.gz ZIFMHASPOZWTCI-CYBMUJFWSA-N -1 1 269.728 2.342 20 10 CECDMM C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1C(=O)[O-] ZINC000833629709 605247322 /nfs/dbraw/zinc/24/73/22/605247322.db2.gz LOOUTVMDJPUMCX-XCBNKYQSSA-N -1 1 287.718 2.337 20 10 CECDMM C[C@]1(C(=O)NCc2cccc(Cl)c2[O-])CCCOC1 ZINC000890759237 622930434 /nfs/dbraw/zinc/93/04/34/622930434.db2.gz IACLTZYTBMBSDL-AWEZNQCLSA-N -1 1 283.755 2.479 20 10 CECDMM CCOC[C@H](C)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000894310919 629338984 /nfs/dbraw/zinc/33/89/84/629338984.db2.gz OZVGCDNOAUHDPO-VIFPVBQESA-N -1 1 286.759 2.270 20 10 CECDMM CC(C)(C)n1cc(CNCc2c([O-])cccc2F)nn1 ZINC000896637174 630620941 /nfs/dbraw/zinc/62/09/41/630620941.db2.gz KFCVEQVSEMOCNE-UHFFFAOYSA-N -1 1 278.331 2.168 20 10 CECDMM CCc1occc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000797487698 631145538 /nfs/dbraw/zinc/14/55/38/631145538.db2.gz RMLKAHMDJFTRSW-UHFFFAOYSA-N -1 1 290.271 2.293 20 10 CECDMM CCCn1cc(CNCc2cccc(Cl)c2[O-])nn1 ZINC000898214562 632091150 /nfs/dbraw/zinc/09/11/50/632091150.db2.gz DHHMBGOTDFKNPN-UHFFFAOYSA-N -1 1 280.759 2.337 20 10 CECDMM C[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)C(C)(F)F ZINC000815490559 633024990 /nfs/dbraw/zinc/02/49/90/633024990.db2.gz VCNPXZBFRHVWAK-ZETCQYMHSA-N -1 1 288.246 2.115 20 10 CECDMM CSCC1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000900701785 633811282 /nfs/dbraw/zinc/81/12/82/633811282.db2.gz RRVKMEHGBCLNKQ-UHFFFAOYSA-N -1 1 299.367 2.452 20 10 CECDMM O=C(N[C@@H]1C[C@H]1C1CCC1)c1c(F)ccc(O)c1[O-] ZINC000822413591 634913369 /nfs/dbraw/zinc/91/33/69/634913369.db2.gz GAUHQZRQBQKXHX-WCBMZHEXSA-N -1 1 265.284 2.155 20 10 CECDMM O=C(NC[C@H]1CCCCS1)c1c(F)ccc(O)c1[O-] ZINC000828253796 636549828 /nfs/dbraw/zinc/54/98/28/636549828.db2.gz YLTJFCXSWNGCHP-MRVPVSSYSA-N -1 1 285.340 2.252 20 10 CECDMM CCN(CCC1CC1)C(=O)c1c(F)ccc(O)c1[O-] ZINC000828480153 636606860 /nfs/dbraw/zinc/60/68/60/636606860.db2.gz MSCJRTLJCBTLSC-UHFFFAOYSA-N -1 1 267.300 2.499 20 10 CECDMM C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1cc(Cl)ccc1O ZINC000844934206 640869686 /nfs/dbraw/zinc/86/96/86/640869686.db2.gz MAOVCZFMFPDTJX-LDYMZIIASA-N -1 1 269.728 2.483 20 10 CECDMM C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000844934206 640869689 /nfs/dbraw/zinc/86/96/89/640869689.db2.gz MAOVCZFMFPDTJX-LDYMZIIASA-N -1 1 269.728 2.483 20 10 CECDMM C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000844934206 640869691 /nfs/dbraw/zinc/86/96/91/640869691.db2.gz MAOVCZFMFPDTJX-LDYMZIIASA-N -1 1 269.728 2.483 20 10 CECDMM CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000844937956 640872335 /nfs/dbraw/zinc/87/23/35/640872335.db2.gz QZRULSRIYCGCKA-JTQLQIEISA-N -1 1 257.717 2.341 20 10 CECDMM CN(Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCNC1=O ZINC000770377572 642156349 /nfs/dbraw/zinc/15/63/49/642156349.db2.gz AIJSCZHWEMTRSI-SNVBAGLBSA-N -1 1 289.162 2.019 20 10 CECDMM C[C@@]1(CCNC(=O)c2c(F)ccc(O)c2[O-])CC1(F)F ZINC000857322201 644886874 /nfs/dbraw/zinc/88/68/74/644886874.db2.gz OHJPLISBAWUNRJ-GFCCVEGCSA-N -1 1 289.253 2.402 20 10 CECDMM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1c(F)ccc(O)c1[O-] ZINC000839797911 645748185 /nfs/dbraw/zinc/74/81/85/645748185.db2.gz RKQOHBRPKVWEEO-KHQFGBGNSA-N -1 1 265.284 2.155 20 10 CECDMM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1c(F)ccc(O)c1[O-] ZINC000839797912 645748283 /nfs/dbraw/zinc/74/82/83/645748283.db2.gz RKQOHBRPKVWEEO-WEDXCCLWSA-N -1 1 265.284 2.155 20 10 CECDMM Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1nnn[n-]1 ZINC000118685940 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ZINC000134084684 366285319 /nfs/dbraw/zinc/28/53/19/366285319.db2.gz PCXJCGAKPNDVNA-UHFFFAOYSA-N -1 1 274.286 2.072 20 10 CECDMM CCC[C@]1(C)C(=O)NCC[N@H+]1Cc1cc(F)ccc1O ZINC000189038187 369447054 /nfs/dbraw/zinc/44/70/54/369447054.db2.gz AYEZAVFSGNKBKM-OAHLLOKOSA-N -1 1 280.343 2.022 20 10 CECDMM CC(C)(C)c1cnc(SCc2nn[n-]n2)s1 ZINC000268279996 372091981 /nfs/dbraw/zinc/09/19/81/372091981.db2.gz ATYCYNAGKXPQFS-UHFFFAOYSA-N -1 1 255.372 2.246 20 10 CECDMM CCO[C@H](CCNC(=O)c1c(F)ccc(O)c1[O-])C(C)C ZINC000294794703 378020152 /nfs/dbraw/zinc/02/01/52/378020152.db2.gz BAKSBWQYFPJUMD-GFCCVEGCSA-N -1 1 299.342 2.418 20 10 CECDMM CN(C)c1ccc(C[N-]C(=O)C(F)(F)C(F)F)cc1F ZINC000176268156 395137463 /nfs/dbraw/zinc/13/74/63/395137463.db2.gz POSFOQOCLNXCQF-UHFFFAOYSA-N -1 1 296.239 2.408 20 10 CECDMM CN1CCCc2cc(C[N-]C(=O)C(F)(F)F)ccc21 ZINC000169812759 400285659 /nfs/dbraw/zinc/28/56/59/400285659.db2.gz ZHGPLXPOYHSDEP-UHFFFAOYSA-N -1 1 272.270 2.248 20 10 CECDMM C[C@@H]1C[C@H](C)CN(C(=O)c2c([O-])c(O)ccc2F)C1 ZINC000276659974 288646398 /nfs/dbraw/zinc/64/63/98/288646398.db2.gz MMYFZLOJHJEHSO-DTORHVGOSA-N -1 1 267.300 2.355 20 10 CECDMM COC(=O)[C@@H](C)N(C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000280662152 523525456 /nfs/dbraw/zinc/52/54/56/523525456.db2.gz FFXJYJPXJIYDKX-MRVPVSSYSA-N -1 1 299.754 2.242 20 10 CECDMM C[C@@H]1C[C@@H](C)CN(C(=O)c2c([O-])c(O)ccc2F)C1 ZINC000276659983 525204418 /nfs/dbraw/zinc/20/44/18/525204418.db2.gz MMYFZLOJHJEHSO-RKDXNWHRSA-N -1 1 267.300 2.355 20 10 CECDMM C[C@@H](N[C@@H](C)c1ccc(F)c(F)c1[O-])c1ncnn1C ZINC000276638281 525607666 /nfs/dbraw/zinc/60/76/66/525607666.db2.gz OLDWWKVVJGZBAD-JGVFFNPUSA-N -1 1 282.294 2.211 20 10 CECDMM C[N@@H+](CC(=O)[O-])Cc1cc(Cl)cc(Cl)c1[O-] ZINC000039193021 604538816 /nfs/dbraw/zinc/53/88/16/604538816.db2.gz FFPQZFSYXJHNLK-UHFFFAOYSA-N -1 1 264.108 2.215 20 10 CECDMM O=C([O-])[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000821509298 605229946 /nfs/dbraw/zinc/22/99/46/605229946.db2.gz MZDYPRNHMDYXQR-SNVBAGLBSA-N -1 1 255.701 2.095 20 10 CECDMM O=C([O-])N[C@H](C[NH2+]Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000834150890 605332968 /nfs/dbraw/zinc/33/29/68/605332968.db2.gz QDPOZJQUJCLLIQ-LLVKDONJSA-N -1 1 284.743 2.181 20 10 CECDMM O=C([O-])N[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000834180386 605491385 /nfs/dbraw/zinc/49/13/85/605491385.db2.gz FBALXDFSFQVYPJ-SECBINFHSA-N -1 1 284.743 2.278 20 10 CECDMM O=C([O-])N[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000834180386 605491389 /nfs/dbraw/zinc/49/13/89/605491389.db2.gz FBALXDFSFQVYPJ-SECBINFHSA-N -1 1 284.743 2.278 20 10 CECDMM CC(=O)OC(C)(C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759154 622930107 /nfs/dbraw/zinc/93/01/07/622930107.db2.gz FEEAAAZFRQQWMF-UHFFFAOYSA-N -1 1 285.727 2.004 20 10 CECDMM C[C@@H]1C[C@@H](C(=O)NCc2cccc(Cl)c2[O-])CO1 ZINC000890759171 622930420 /nfs/dbraw/zinc/93/04/20/622930420.db2.gz FQJYLWYPTUFEPJ-PSASIEDQSA-N -1 1 269.728 2.087 20 10 CECDMM C[C@H]1OCC[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760515 622931191 /nfs/dbraw/zinc/93/11/91/622931191.db2.gz RTAOOWCKZVAGGT-PSASIEDQSA-N -1 1 269.728 2.087 20 10 CECDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1C[C@]12CCOC2 ZINC000890759748 622931806 /nfs/dbraw/zinc/93/18/06/622931806.db2.gz QICABARLAIZLJF-HZMBPMFUSA-N -1 1 281.739 2.088 20 10 CECDMM CC1(C)OCC[C@@H]1NC(=O)NCc1cccc(Cl)c1[O-] ZINC000895118223 629919379 /nfs/dbraw/zinc/91/93/79/629919379.db2.gz XSXSZEIPUDLAJP-NSHDSACASA-N -1 1 298.770 2.412 20 10 CECDMM CCCONC(=O)NCc1cccc(Cl)c1[O-] ZINC000895516468 630231939 /nfs/dbraw/zinc/23/19/39/630231939.db2.gz SQCQIKGNWABAFE-UHFFFAOYSA-N -1 1 258.705 2.186 20 10 CECDMM C[C@@H]1C[C@H](NC(=O)NCc2cccc(Cl)c2[O-])[C@H](C)O1 ZINC000896105360 630471284 /nfs/dbraw/zinc/47/12/84/630471284.db2.gz FLDBKDWNINKJKV-PTRXPTGYSA-N -1 1 298.770 2.411 20 10 CECDMM O=C(NCc1cc(C2CC2)no1)c1c(F)ccc(O)c1[O-] ZINC000899368652 632811271 /nfs/dbraw/zinc/81/12/71/632811271.db2.gz ODXYWGGDZOLSIF-UHFFFAOYSA-N -1 1 292.266 2.032 20 10 CECDMM COC[C@@H]1CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000816636822 633454289 /nfs/dbraw/zinc/45/42/89/633454289.db2.gz IXPCYKMJZKOBKB-JTQLQIEISA-N -1 1 259.708 2.405 20 10 CECDMM [O-]c1c(F)cc(F)cc1CNc1ncc2c(n1)CCOC2 ZINC000905419169 636267273 /nfs/dbraw/zinc/26/72/73/636267273.db2.gz MQDJPFBBVOGIJD-UHFFFAOYSA-N -1 1 293.273 2.145 20 10 CECDMM COC(=O)C1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876529729 650306279 /nfs/dbraw/zinc/30/62/79/650306279.db2.gz GDOVKFKRMFRPQY-UHFFFAOYSA-N -1 1 285.290 2.055 20 10 CECDMM CC1=C[C@@H](C)CN(C(=O)c2c([O-])c(O)ccc2F)C1 ZINC000831086769 637228144 /nfs/dbraw/zinc/22/81/44/637228144.db2.gz SJEGPYIINXTETC-MRVPVSSYSA-N -1 1 265.284 2.275 20 10 CECDMM CN(Cc1cn[nH]c1)Cc1ccc(F)c(F)c1[O-] ZINC000876742635 650416282 /nfs/dbraw/zinc/41/62/82/650416282.db2.gz VHFVSXLNUHVPNS-UHFFFAOYSA-N -1 1 253.252 2.026 20 10 CECDMM CCOC(=O)[C@@H](C)C1CN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000877830336 650925046 /nfs/dbraw/zinc/92/50/46/650925046.db2.gz GHKVQLNBBCEHKI-VIFPVBQESA-N -1 1 299.317 2.301 20 10 CECDMM O=C(c1c([O-])c(O)ccc1F)N1CCC[C@H](CCF)C1 ZINC000857322558 644886953 /nfs/dbraw/zinc/88/69/53/644886953.db2.gz FIYSZNIAJMGPGT-SECBINFHSA-N -1 1 285.290 2.449 20 10 CECDMM C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])c1cccnc1 ZINC000789944749 648361033 /nfs/dbraw/zinc/36/10/33/648361033.db2.gz YJYOJMJRGHTBLF-QMMMGPOBSA-N -1 1 276.267 2.123 20 10 CECDMM [O-]c1cc(F)c(F)cc1CN1CCN(CC(F)F)CC1 ZINC001142527447 806620671 /nfs/dbraw/zinc/62/06/71/806620671.db2.gz UZWHKPCQIASRCS-UHFFFAOYSA-N -1 1 292.276 2.053 20 10 CECDMM O=C1O[C@H]2C[C@@H]1N(Cc1c([O-])ccc(Cl)c1Cl)C2 ZINC001237085060 808192428 /nfs/dbraw/zinc/19/24/28/808192428.db2.gz TZPWUJXXIMKRNY-RCOVLWMOSA-N -1 1 288.130 2.199 20 10 CECDMM Cc1ccc(NCC(=O)c2ccc([O-])c(O)c2)cn1 ZINC001170316647 812385898 /nfs/dbraw/zinc/38/58/98/812385898.db2.gz WCEOVAWHYILZHC-UHFFFAOYSA-N -1 1 258.277 2.096 20 10 CECDMM O=C1CCCN(Cc2c([O-])cccc2F)C[C@H]1F ZINC001137831687 815690377 /nfs/dbraw/zinc/69/03/77/815690377.db2.gz KBQPXAHOVCTJGC-LLVKDONJSA-N -1 1 255.264 2.034 20 10 CECDMM [O-]c1c(F)cccc1CN1CC2(C1)CCCCO2 ZINC001138123892 815731189 /nfs/dbraw/zinc/73/11/89/815731189.db2.gz QCWRPGSPVNOAOR-UHFFFAOYSA-N -1 1 251.301 2.286 20 10 CECDMM C[C@@]1(CO)CC(F)(F)CN1Cc1cccc(F)c1[O-] ZINC001138123957 815732145 /nfs/dbraw/zinc/73/21/45/815732145.db2.gz TUDWPWGJXXWQIY-LBPRGKRZSA-N -1 1 275.270 2.123 20 10 CECDMM CCOC(=O)C1CCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139680718 816080123 /nfs/dbraw/zinc/08/01/23/816080123.db2.gz AKEJPBPNTCLELS-UHFFFAOYSA-N -1 1 299.317 2.446 20 10 CECDMM CCC(=O)N[C@@H]1CCCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139687187 816082900 /nfs/dbraw/zinc/08/29/00/816082900.db2.gz IVMWRNCTWFCIDJ-SNVBAGLBSA-N -1 1 298.333 2.161 20 10 CECDMM O=C1CCN(Cc2c([O-])cccc2Cl)C[C@H]1F ZINC001140341494 816238094 /nfs/dbraw/zinc/23/80/94/816238094.db2.gz RLNNSDVMLZXWCV-SNVBAGLBSA-N -1 1 257.692 2.159 20 10 CECDMM CC(=O)[C@@H]1CCCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140583461 816293001 /nfs/dbraw/zinc/29/30/01/816293001.db2.gz HRTCQKQJJWNTAP-SNVBAGLBSA-N -1 1 269.291 2.471 20 10 CECDMM Cc1cc(Cl)cc(C[N@H+]2CCO[C@@]3(CCOC3)C2)c1O ZINC000187536047 369174156 /nfs/dbraw/zinc/17/41/56/369174156.db2.gz XWDKPWYKKCEYHZ-HNNXBMFYSA-N -1 1 297.782 2.345 20 10 CECDMM CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000273407098 373754748 /nfs/dbraw/zinc/75/47/48/373754748.db2.gz ORFPYTFZRLAYES-DTWKUNHWSA-N -1 1 270.760 2.221 20 10 CECDMM Cc1ccccc1CNC(=O)CN(C)Cc1ccccc1O ZINC000109770138 394734980 /nfs/dbraw/zinc/73/49/80/394734980.db2.gz FPWBGVFJEVLOFP-UHFFFAOYSA-N -1 1 298.386 2.449 20 10 CECDMM O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1c(F)ccc(O)c1[O-] ZINC000530267042 333530897 /nfs/dbraw/zinc/53/08/97/333530897.db2.gz VOKUUJBTFOWCOW-KXUCPTDWSA-N -1 1 279.311 2.403 20 10 CECDMM C[C@@H]1CCCN(C(=O)c2c([O-])c(O)ccc2F)CC1 ZINC000276508044 524207068 /nfs/dbraw/zinc/20/70/68/524207068.db2.gz ARWCWKJYEKWBEH-SECBINFHSA-N -1 1 267.300 2.499 20 10 CECDMM C[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000819895162 598131499 /nfs/dbraw/zinc/13/14/99/598131499.db2.gz 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[O-]c1cc(F)c(F)cc1CN1CCO[C@H](C(F)(F)F)C1 ZINC001142527172 806619126 /nfs/dbraw/zinc/61/91/26/806619126.db2.gz MXJHIMMFOWGMDO-NSHDSACASA-N -1 1 297.223 2.434 20 10 CECDMM CCN(Cc1cc(F)c(F)cc1[O-])[C@@H](C)C(=O)OC ZINC001142534381 806623505 /nfs/dbraw/zinc/62/35/05/806623505.db2.gz HQQLCSFPWFWULT-QMMMGPOBSA-N -1 1 273.279 2.054 20 10 CECDMM [O-]c1cccc(F)c1CN1CCN(CC(F)(F)F)CC1 ZINC001137839048 815694741 /nfs/dbraw/zinc/69/47/41/815694741.db2.gz PHGLOOLKTSPAKF-UHFFFAOYSA-N -1 1 292.276 2.211 20 10 CECDMM [O-]c1cccc(F)c1CN1CCOC[C@@H]1c1cccnc1 ZINC001137840396 815695207 /nfs/dbraw/zinc/69/52/07/815695207.db2.gz ZGFGKIWTGGXJKW-OAHLLOKOSA-N -1 1 288.322 2.500 20 10 CECDMM CC(=O)[C@H]1CCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139687649 816084446 /nfs/dbraw/zinc/08/44/46/816084446.db2.gz QDURXPZGTXKHRU-VIFPVBQESA-N -1 1 255.264 2.081 20 10 CECDMM CC1(C)COCCN1Cc1cc(F)c(F)cc1[O-] ZINC001142524691 816679635 /nfs/dbraw/zinc/67/96/35/816679635.db2.gz GPUHHQYAHJPUCD-UHFFFAOYSA-N -1 1 257.280 2.281 20 10 CECDMM CO[C@@H]1[C@@H](C)[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C1(C)C ZINC000295097308 378041539 /nfs/dbraw/zinc/04/15/39/378041539.db2.gz SWGWEQCUBNZCRH-HAGUPOPPSA-N -1 1 297.326 2.026 20 10 CECDMM C[C@@]1(F)CCCN(C(=O)c2c([O-])c(O)ccc2F)C1 ZINC000295408068 378143863 /nfs/dbraw/zinc/14/38/63/378143863.db2.gz BSCZROBSLMPIBL-CYBMUJFWSA-N -1 1 271.263 2.201 20 10 CECDMM CC(F)(F)CCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000295665441 378256457 /nfs/dbraw/zinc/25/64/57/378256457.db2.gz WMGIBHUAFZMNPX-UHFFFAOYSA-N -1 1 263.215 2.012 20 10 CECDMM COc1c([O-])c(CN[C@H](C)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000290117326 521879693 /nfs/dbraw/zinc/87/96/93/521879693.db2.gz IQISRSGXDLEGMA-ZCFIWIBFSA-N -1 1 294.229 2.349 20 10 CECDMM Cc1cc(O)c(CN2CCO[C@H](C(=O)[O-])C2)cc1C(C)C ZINC000738239677 574855452 /nfs/dbraw/zinc/85/54/52/574855452.db2.gz LFLGYUIASDIPRM-HNNXBMFYSA-N -1 1 293.363 2.109 20 10 CECDMM C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000819889498 598182436 /nfs/dbraw/zinc/18/24/36/598182436.db2.gz ROTVJWDZLKLKTH-LURJTMIESA-N -1 1 261.680 2.090 20 10 CECDMM C[C@@H]1C[C@@H](C)[C@@H](C(=O)NCc2cccc(Cl)c2[O-])O1 ZINC000890759533 622931267 /nfs/dbraw/zinc/93/12/67/622931267.db2.gz NDDYMCKOJZVRIB-KKFJDGPESA-N -1 1 283.755 2.475 20 10 CECDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1C[C@@]12CCOC2 ZINC000890759749 622931420 /nfs/dbraw/zinc/93/14/20/622931420.db2.gz QICABARLAIZLJF-IINYFYTJSA-N -1 1 281.739 2.088 20 10 CECDMM O=C(NCc1cccc(Cl)c1[O-])C1SCCS1 ZINC000890760575 622931438 /nfs/dbraw/zinc/93/14/38/622931438.db2.gz UEOBWOVTRLKPRI-UHFFFAOYSA-N -1 1 289.809 2.468 20 10 CECDMM CC1(C)OC[C@H]2C[C@]21C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760928 622932283 /nfs/dbraw/zinc/93/22/83/622932283.db2.gz FAKKJSXWDQRJDI-MEBBXXQBSA-N -1 1 295.766 2.477 20 10 CECDMM C[C@H]1CO[C@H](C(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890762529 622934958 /nfs/dbraw/zinc/93/49/58/622934958.db2.gz GEXKZDFUESSMMA-KCJUWKMLSA-N -1 1 269.728 2.087 20 10 CECDMM O=C1[N-]C(=S)S/C1=C/c1c(Cl)nc2ccccn21 ZINC000255140806 623176934 /nfs/dbraw/zinc/17/69/34/623176934.db2.gz BPQMJQSUTWXVCF-FNORWQNLSA-N -1 1 295.776 2.477 20 10 CECDMM [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000824726812 635486209 /nfs/dbraw/zinc/48/62/09/635486209.db2.gz VEMPGLMSLQDNPB-LBPRGKRZSA-N -1 1 277.698 2.248 20 10 CECDMM CCn1nc(C)c(CNCc2cccc(Cl)c2[O-])n1 ZINC000822494202 634931389 /nfs/dbraw/zinc/93/13/89/634931389.db2.gz JGDDGHDYKFSUEW-UHFFFAOYSA-N -1 1 280.759 2.255 20 10 CECDMM CCCCCOC1CN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000826584708 635789078 /nfs/dbraw/zinc/78/90/78/635789078.db2.gz IALIWHLCVWUOND-UHFFFAOYSA-N -1 1 297.326 2.268 20 10 CECDMM COc1cnc(C=Cc2ccc3c(c2)CCN3C)[n-]c1=O ZINC000905076983 635814605 /nfs/dbraw/zinc/81/46/05/635814605.db2.gz PRGRISLUKGEUMW-GQCTYLIASA-N -1 1 283.331 2.354 20 10 CECDMM C[C@H]1C[C@H](NCc2cccc(Cl)c2[O-])c2ncnn21 ZINC000826888588 635871826 /nfs/dbraw/zinc/87/18/26/635871826.db2.gz IWSBJGTVOUHZMX-KWQFWETISA-N -1 1 278.743 2.433 20 10 CECDMM COCCC1(CNC(=O)c2c(F)ccc(O)c2[O-])CCC1 ZINC000826932800 636165658 /nfs/dbraw/zinc/16/56/58/636165658.db2.gz HBOJIUSTLHPHJV-UHFFFAOYSA-N -1 1 297.326 2.174 20 10 CECDMM C[C@@H]1CCN(C(=O)c2c([O-])c(O)ccc2F)C[C@H]1F ZINC000827979292 636478243 /nfs/dbraw/zinc/47/82/43/636478243.db2.gz NYGZMVGFYJLUEL-VXNVDRBHSA-N -1 1 271.263 2.057 20 10 CECDMM C[C@@H]1CC[C@H](CNC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000831005842 637215977 /nfs/dbraw/zinc/21/59/77/637215977.db2.gz QRKWDQYGCXLNRR-BDAKNGLRSA-N -1 1 267.300 2.403 20 10 CECDMM CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H]2C)c1[O-] ZINC000846283354 641258896 /nfs/dbraw/zinc/25/88/96/641258896.db2.gz DQOBBXRMGJFGSQ-PELKAZGASA-N -1 1 295.310 2.029 20 10 CECDMM CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H]2C)c1[O-] ZINC000846283354 641258900 /nfs/dbraw/zinc/25/89/00/641258900.db2.gz DQOBBXRMGJFGSQ-PELKAZGASA-N -1 1 295.310 2.029 20 10 CECDMM O=C(NCc1cccc(Br)c1[O-])OCCF ZINC000859136004 645382214 /nfs/dbraw/zinc/38/22/14/645382214.db2.gz YNCZFWSZBOFAOI-UHFFFAOYSA-N -1 1 292.104 2.350 20 10 CECDMM O=C(CCc1ccco1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000781969660 647576715 /nfs/dbraw/zinc/57/67/15/647576715.db2.gz MOTWLSGJTPNYSS-UHFFFAOYSA-N -1 1 290.271 2.050 20 10 CECDMM O=C(NC[C@H]1Cc2ccccc21)c1c(F)ccc(O)c1[O-] ZINC000789959101 648362500 /nfs/dbraw/zinc/36/25/00/648362500.db2.gz OSRSTBDCSWIXCS-SNVBAGLBSA-N -1 1 287.290 2.307 20 10 CECDMM COc1ccc(CNC(=O)c2ccc([O-])cc2F)c(O)c1 ZINC000794373149 648858652 /nfs/dbraw/zinc/85/86/52/648858652.db2.gz HSOIYJLWSCKBGH-UHFFFAOYSA-N -1 1 291.278 2.176 20 10 CECDMM CN(C)c1cccc(C[NH2+]Cc2cc(F)cc(F)c2O)n1 ZINC000883075962 652356212 /nfs/dbraw/zinc/35/62/12/652356212.db2.gz QCOVGLKLYOUJSF-UHFFFAOYSA-N -1 1 293.317 2.421 20 10 CECDMM C[C@@H]1CN(Cc2cc(Cl)c(Cl)cc2[O-])CC(=O)N1 ZINC001236792568 808164860 /nfs/dbraw/zinc/16/48/60/808164860.db2.gz FFMQRVIRNWKBLH-SSDOTTSWSA-N -1 1 289.162 2.019 20 10 CECDMM Cc1cc(NCC(=O)c2ccc([O-])c(O)c2)c2nccn2c1 ZINC001170314575 812384771 /nfs/dbraw/zinc/38/47/71/812384771.db2.gz FKICCKHISRGVAX-UHFFFAOYSA-N -1 1 297.314 2.349 20 10 CECDMM Cc1cc(Cl)nnc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170314644 812385101 /nfs/dbraw/zinc/38/51/01/812385101.db2.gz WSFFABFGISNERT-UHFFFAOYSA-N -1 1 293.710 2.144 20 10 CECDMM [O-]c1c(F)cccc1CN1CC(F)(F)CC[C@H]1CO ZINC001138122400 815730483 /nfs/dbraw/zinc/73/04/83/815730483.db2.gz BYNKHHLZKKCPGA-JTQLQIEISA-N -1 1 275.270 2.123 20 10 CECDMM [O-]c1c(F)ccc(F)c1CN1CCC[C@@H](n2cncn2)C1 ZINC001139682689 816081478 /nfs/dbraw/zinc/08/14/78/816081478.db2.gz BATNROZVCZMBNK-SNVBAGLBSA-N -1 1 294.305 2.099 20 10 CECDMM CCN(CC)S(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000288300257 376376208 /nfs/dbraw/zinc/37/62/08/376376208.db2.gz SKRRRZJFQHQTPO-UHFFFAOYSA-N -1 1 296.751 2.183 20 10 CECDMM C[C@@H]1CCC[C@H]1NC(=O)c1c(F)ccc(O)c1[O-] ZINC000295392739 378136818 /nfs/dbraw/zinc/13/68/18/378136818.db2.gz YOMYJCJHFVXGIC-VXNVDRBHSA-N -1 1 253.273 2.155 20 10 CECDMM CC(C)CSCCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000296507484 378556305 /nfs/dbraw/zinc/55/63/05/378556305.db2.gz LXYHKKNCWRHKGM-UHFFFAOYSA-N -1 1 287.356 2.356 20 10 CECDMM COC[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccco1 ZINC000080263234 522746926 /nfs/dbraw/zinc/74/69/26/522746926.db2.gz HFSKRQMGVAMFSB-LBPRGKRZSA-N -1 1 292.291 2.371 20 10 CECDMM CC[C@H](C)[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])C(=O)[O-] ZINC000820465932 598187363 /nfs/dbraw/zinc/18/73/63/598187363.db2.gz YZTYDPQOLSGXHY-SDBXPKJASA-N -1 1 297.326 2.323 20 10 CECDMM CCC[C@](C)([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])C(=O)[O-] ZINC000829202535 601151509 /nfs/dbraw/zinc/15/15/09/601151509.db2.gz PYXFXKOTYBSXAU-HNNXBMFYSA-N -1 1 297.326 2.467 20 10 CECDMM CC(C)C[N@@H+](CCC(=O)[O-])Cc1cccc(F)c1[O-] ZINC000833486811 605478765 /nfs/dbraw/zinc/47/87/65/605478765.db2.gz RRLRXYNUBDICLL-UHFFFAOYSA-N -1 1 269.316 2.464 20 10 CECDMM CC(=O)CCCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890757500 622928357 /nfs/dbraw/zinc/92/83/57/622928357.db2.gz GBULYXUKVCFMDW-UHFFFAOYSA-N -1 1 269.728 2.421 20 10 CECDMM CO[C@H](C(=O)NCc1cccc(Cl)c1[O-])C1CCC1 ZINC000890761079 622932505 /nfs/dbraw/zinc/93/25/05/622932505.db2.gz KGODEISDXYDZOM-ZDUSSCGKSA-N -1 1 283.755 2.477 20 10 CECDMM O=C(NCc1cccc(Cl)c1[O-])c1cnn2c1CCC2 ZINC000890761815 622934222 /nfs/dbraw/zinc/93/42/22/622934222.db2.gz YYFQBJVRSACFCY-UHFFFAOYSA-N -1 1 291.738 2.118 20 10 CECDMM C[C@H](C(=O)NCc1cccc(Cl)c1[O-])[C@@H]1CCCO1 ZINC000890763434 622935818 /nfs/dbraw/zinc/93/58/18/622935818.db2.gz WKCYSTNQIARAAG-CABZTGNLSA-N -1 1 283.755 2.477 20 10 CECDMM C[C@@H]1[C@H](C)[N@@H+](C)CCN1Cc1cc(F)cc(F)c1O ZINC000894488386 629486821 /nfs/dbraw/zinc/48/68/21/629486821.db2.gz XBYUOHUIUPMNBG-VHSXEESVSA-N -1 1 270.323 2.195 20 10 CECDMM O=C1[N-]C(=S)S/C1=C/c1cnn(C2CCC2)c1 ZINC000899336352 632789381 /nfs/dbraw/zinc/78/93/81/632789381.db2.gz UITNOLCXBCUQBX-RUDMXATFSA-N -1 1 265.363 2.097 20 10 CECDMM O=C(NCc1cccc(Cl)c1[O-])OC1CCOCC1 ZINC000908327316 637309449 /nfs/dbraw/zinc/30/94/49/637309449.db2.gz HGRGMRVSEVAWRN-UHFFFAOYSA-N -1 1 285.727 2.451 20 10 CECDMM Cc1cc(O)c(C=C2SC(=S)[N-]C2=O)cc1C ZINC000174052209 639895551 /nfs/dbraw/zinc/89/55/51/639895551.db2.gz PBRCDFIZAOGZFS-BJMVGYQFSA-N -1 1 265.359 2.498 20 10 CECDMM O=C(COC(=O)C1CCCCC1)c1ccc([O-])c(O)c1 ZINC000916589887 640784064 /nfs/dbraw/zinc/78/40/64/640784064.db2.gz CGECNPMNBDTBND-UHFFFAOYSA-N -1 1 278.304 2.404 20 10 CECDMM O=C1[N-]C(=S)S/C1=C\c1cccc(-n2cccn2)c1 ZINC000155137285 641095996 /nfs/dbraw/zinc/09/59/96/641095996.db2.gz PHFZUBRZJLRVSC-FLIBITNWSA-N -1 1 287.369 2.361 20 10 CECDMM [O-]c1c(CN2CCC(O)(C(F)F)CC2)ccc(F)c1F ZINC000877437773 650722398 /nfs/dbraw/zinc/72/23/98/650722398.db2.gz VOGCFPFQJWWDAV-UHFFFAOYSA-N -1 1 293.260 2.262 20 10 CECDMM C[C@H]1C[C@H](NCc2ccc(F)c(F)c2[O-])c2ncnn21 ZINC000877622748 650818590 /nfs/dbraw/zinc/81/85/90/650818590.db2.gz BRHZOVMDZHNYSA-XVKPBYJWSA-N -1 1 280.278 2.058 20 10 CECDMM C[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)C1CCC1 ZINC000838392166 643924908 /nfs/dbraw/zinc/92/49/08/643924908.db2.gz RUZMSUHYWKFTKO-VIFPVBQESA-N -1 1 278.304 2.260 20 10 CECDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000758775081 644957151 /nfs/dbraw/zinc/95/71/51/644957151.db2.gz QUHLJUFEBXFPIF-UHFFFAOYSA-N -1 1 291.328 2.396 20 10 CECDMM O=C1[N-]C(=S)S/C1=C\c1nc(Cl)cs1 ZINC000759071792 644982722 /nfs/dbraw/zinc/98/27/22/644982722.db2.gz GORYPZTZVQJRQF-IWQZZHSRSA-N -1 1 262.768 2.285 20 10 CECDMM CCC(C)(C)OCCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000839793994 645376299 /nfs/dbraw/zinc/37/62/99/645376299.db2.gz RYAJLBLMIWIWPC-UHFFFAOYSA-N -1 1 285.315 2.172 20 10 CECDMM O=C(NCCc1cccs1)c1c(F)ccc(O)c1[O-] ZINC000789944295 648361483 /nfs/dbraw/zinc/36/14/83/648361483.db2.gz QOZBNRGPBDPDJT-UHFFFAOYSA-N -1 1 281.308 2.271 20 10 CECDMM C[C@@H]1CC(=O)CCN1Cc1cc(F)c(F)cc1[O-] ZINC001142508768 806609063 /nfs/dbraw/zinc/60/90/63/806609063.db2.gz KYIXQAFDLWVWQE-MRVPVSSYSA-N -1 1 255.264 2.224 20 10 CECDMM C[C@H]1CC(=O)CCN1Cc1cc(F)c(F)cc1[O-] ZINC001142508769 806609400 /nfs/dbraw/zinc/60/94/00/806609400.db2.gz KYIXQAFDLWVWQE-QMMMGPOBSA-N -1 1 255.264 2.224 20 10 CECDMM O=C(Nc1cccc(N2CCOCC2)c1)c1ccccc1[O-] ZINC000131752845 808902991 /nfs/dbraw/zinc/90/29/91/808902991.db2.gz KNCHRXGQEALEMD-UHFFFAOYSA-N -1 1 298.342 2.481 20 10 CECDMM [O-]c1cccc(F)c1CN1CC(N2CCC(F)(F)C2)C1 ZINC001137838773 809811260 /nfs/dbraw/zinc/81/12/60/809811260.db2.gz KJBAVJDXJIFURB-UHFFFAOYSA-N -1 1 286.297 2.057 20 10 CECDMM Cc1ccc(N)cc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170314869 812385720 /nfs/dbraw/zinc/38/57/20/812385720.db2.gz JOAHTFMWSCCQGK-UHFFFAOYSA-N -1 1 272.304 2.283 20 10 CECDMM O=C(CNc1ccc2ccncc2n1)c1ccc([O-])c(O)c1 ZINC001170322309 812387842 /nfs/dbraw/zinc/38/78/42/812387842.db2.gz JPJLKVXPSDBBAC-UHFFFAOYSA-N -1 1 295.298 2.336 20 10 CECDMM [O-]c1c(F)ccc(F)c1CN1CC2(C1)CCCOC2 ZINC001139680948 816079318 /nfs/dbraw/zinc/07/93/18/816079318.db2.gz GNXZPIIUNVRPFI-UHFFFAOYSA-N -1 1 269.291 2.283 20 10 CECDMM COC(=O)c1ccc(CN(C)Cc2ccccc2O)o1 ZINC000111235934 364724400 /nfs/dbraw/zinc/72/44/00/364724400.db2.gz QUXXJMDCLFAPHM-UHFFFAOYSA-N -1 1 275.304 2.404 20 10 CECDMM COC(=O)c1occc1C[N@@H+](C)Cc1ccccc1O ZINC000111235729 364724606 /nfs/dbraw/zinc/72/46/06/364724606.db2.gz RSTJFUWAPLDWJM-UHFFFAOYSA-N -1 1 275.304 2.404 20 10 CECDMM COC(=O)C[C@@H]1CSCC[N@H+]1Cc1cc(F)ccc1O ZINC000180191148 368371978 /nfs/dbraw/zinc/37/19/78/368371978.db2.gz MCMCWNDOCSUJJZ-GFCCVEGCSA-N -1 1 299.367 2.012 20 10 CECDMM CCC[C@](C)(NCc1cccc(F)c1[O-])C(=O)OC ZINC000273827320 373774578 /nfs/dbraw/zinc/77/45/78/373774578.db2.gz FBRTVYGOIDHBNN-AWEZNQCLSA-N -1 1 269.316 2.353 20 10 CECDMM CC[C@H]([NH2+][C@@H](C)c1ncnn1C)c1ccc(F)cc1O ZINC000287385531 376220415 /nfs/dbraw/zinc/22/04/15/376220415.db2.gz ILYAREHWTBIBIW-CABZTGNLSA-N -1 1 278.331 2.462 20 10 CECDMM [O-]c1c(Cl)cccc1CN1CCO[C@]2(CCCOC2)C1 ZINC000289114439 376387533 /nfs/dbraw/zinc/38/75/33/376387533.db2.gz DBAJXWYBXIQGFO-OAHLLOKOSA-N -1 1 297.782 2.427 20 10 CECDMM CC(C)SCCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000295771032 378296927 /nfs/dbraw/zinc/29/69/27/378296927.db2.gz PVAHEVOCBOSXKP-UHFFFAOYSA-N -1 1 273.329 2.108 20 10 CECDMM CCCC[C@H](COC)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000295834522 378323567 /nfs/dbraw/zinc/32/35/67/378323567.db2.gz MXQXODJWTNFLRF-SECBINFHSA-N -1 1 285.315 2.172 20 10 CECDMM CCN(CC)C(=O)[C@@H](C)N(C)Cc1ccccc1O ZINC000109769036 394735138 /nfs/dbraw/zinc/73/51/38/394735138.db2.gz RRHBYVIVCJFHBJ-GFCCVEGCSA-N -1 1 264.369 2.081 20 10 CECDMM OC[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000294333711 265011524 /nfs/dbraw/zinc/01/15/24/265011524.db2.gz ABPDFIMQMDJQFL-VIFPVBQESA-N -1 1 273.735 2.389 20 10 CECDMM CCC(=O)NCc1cccc(Br)c1[O-] ZINC000277569502 328221645 /nfs/dbraw/zinc/22/16/45/328221645.db2.gz QKUSDDAPKQBDJB-UHFFFAOYSA-N -1 1 258.115 2.181 20 10 CECDMM O=C(NCC1(O)CCCCCC1)c1c(F)ccc(O)c1[O-] ZINC000276627339 527577748 /nfs/dbraw/zinc/57/77/48/527577748.db2.gz RZAZUCQSEVXEGH-UHFFFAOYSA-N -1 1 297.326 2.052 20 10 CECDMM O=C([O-])CCCC[NH2+]Cc1c([O-])cccc1Cl ZINC000821521313 598166027 /nfs/dbraw/zinc/16/60/27/598166027.db2.gz AZRKAAIATXIRSY-UHFFFAOYSA-N -1 1 257.717 2.390 20 10 CECDMM CC[N@H+](CCC(=O)[O-])Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000829701511 601150586 /nfs/dbraw/zinc/15/05/86/601150586.db2.gz AKWOTWVSUDBDKW-UHFFFAOYSA-N -1 1 283.299 2.031 20 10 CECDMM CC[N@@H+](CCC(=O)[O-])Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000829701511 601150587 /nfs/dbraw/zinc/15/05/87/601150587.db2.gz AKWOTWVSUDBDKW-UHFFFAOYSA-N -1 1 283.299 2.031 20 10 CECDMM C[C@@H]1C[C@@H](C(=O)NCc2cccc(Cl)c2[O-])CCO1 ZINC000890760111 622930099 /nfs/dbraw/zinc/93/00/99/622930099.db2.gz IHJVQBBCIZUNPH-ZJUUUORDSA-N -1 1 283.755 2.477 20 10 CECDMM C[C@@](O)(CC(=O)NCc1cccc(Cl)c1[O-])C1CC1 ZINC000890759470 622931558 /nfs/dbraw/zinc/93/15/58/622931558.db2.gz CVLXJQJPBDAXDU-CQSZACIVSA-N -1 1 283.755 2.213 20 10 CECDMM CC(C)(C)[C@H](O)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760729 622932389 /nfs/dbraw/zinc/93/23/89/622932389.db2.gz YBIJOZSYUIECQJ-LLVKDONJSA-N -1 1 271.744 2.069 20 10 CECDMM CCn1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000840840009 623804383 /nfs/dbraw/zinc/80/43/83/623804383.db2.gz 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/nfs/dbraw/zinc/38/26/11/643382611.db2.gz PLTZWNXFOUQNBD-VIFPVBQESA-N -1 1 269.728 2.342 20 10 CECDMM O=C([O-])[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000086727962 643382617 /nfs/dbraw/zinc/38/26/17/643382617.db2.gz PLTZWNXFOUQNBD-VIFPVBQESA-N -1 1 269.728 2.342 20 10 CECDMM C[C@H]1[C@@H](C)N(C(=O)c2c([O-])c(O)ccc2F)C[C@H]1C ZINC000842273259 643794274 /nfs/dbraw/zinc/79/42/74/643794274.db2.gz DCEFFBGMVAGNAV-IWSPIJDZSA-N -1 1 267.300 2.353 20 10 CECDMM O=C1N[C@@H](c2cccc(F)c2[O-])N2CCc3ccccc3[C@H]12 ZINC000877856653 650931342 /nfs/dbraw/zinc/93/13/42/650931342.db2.gz TVLZBNVGOAZZQK-GDBMZVCRSA-N -1 1 298.317 2.259 20 10 CECDMM COc1ccc(O)c(CNC(=O)c2ccc([O-])c(F)c2)c1 ZINC000768296296 646104875 /nfs/dbraw/zinc/10/48/75/646104875.db2.gz VPFXPOZFKSCOSQ-UHFFFAOYSA-N -1 1 291.278 2.176 20 10 CECDMM COc1c([O-])c(CN2CCC(F)(F)C2)ccc1[N+](=O)[O-] ZINC000775049634 646919432 /nfs/dbraw/zinc/91/94/32/646919432.db2.gz ARALSMXUHZRBCY-UHFFFAOYSA-N -1 1 288.250 2.150 20 10 CECDMM C/C(=C/C(=O)OCC(=O)c1ccc([O-])c(O)c1)C1CC1 ZINC000783087628 647676533 /nfs/dbraw/zinc/67/65/33/647676533.db2.gz VJKKHKYOESYEGW-TWGQIWQCSA-N -1 1 276.288 2.180 20 10 CECDMM CCCCO[C@H](C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783217326 647695545 /nfs/dbraw/zinc/69/55/45/647695545.db2.gz OKZPVHHZXWSWKX-SNVBAGLBSA-N -1 1 296.319 2.029 20 10 CECDMM O=C(CCC(F)(F)F)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783913758 647776562 /nfs/dbraw/zinc/77/65/62/647776562.db2.gz DYDMHDFRXTWUOR-UHFFFAOYSA-N -1 1 292.209 2.166 20 10 CECDMM O=C(COC(=O)[C@@H]1CCCCS1)c1ccc([O-])c(O)c1 ZINC000784660650 647872974 /nfs/dbraw/zinc/87/29/74/647872974.db2.gz OOLKMCYXKATYLR-ZDUSSCGKSA-N -1 1 296.344 2.109 20 10 CECDMM Cc1cccc(CNC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC000789955092 648362351 /nfs/dbraw/zinc/36/23/51/648362351.db2.gz QBOSSSXCXHJNBR-UHFFFAOYSA-N -1 1 275.279 2.475 20 10 CECDMM [O-]c1cc(F)c(F)cc1CN1CC(Oc2cccnc2)C1 ZINC001142520515 806614796 /nfs/dbraw/zinc/61/47/96/806614796.db2.gz LFDUVNRLCNPRQK-UHFFFAOYSA-N -1 1 292.285 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NQEZWUPXMOVDRU-JWYUURKGSA-N -1 1 291.244 2.435 20 10 CECDMM O=C1CN(Cc2cccc(F)c2[O-])CCC[C@H]1F ZINC001138122724 815730949 /nfs/dbraw/zinc/73/09/49/815730949.db2.gz YJDJNJHKUZRCMT-SNVBAGLBSA-N -1 1 255.264 2.034 20 10 CECDMM C[C@H]1COCCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139685575 816082557 /nfs/dbraw/zinc/08/25/57/816082557.db2.gz OTJHOMHBKLWWMY-SECBINFHSA-N -1 1 257.280 2.139 20 10 CECDMM CO[C@H](C)C1CN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140585495 816295106 /nfs/dbraw/zinc/29/51/06/816295106.db2.gz KMUNMHWRSCJPSQ-MRVPVSSYSA-N -1 1 257.280 2.137 20 10 CECDMM O=C(NCc1cccc(O)c1O)c1ccc(Cl)cc1[O-] ZINC001176566321 816442504 /nfs/dbraw/zinc/44/25/04/816442504.db2.gz VWHLEBVDEXGSQN-UHFFFAOYSA-N -1 1 293.706 2.387 20 10 CECDMM C[C@H]1C[N@H+](Cc2cc(F)c(F)cc2O)CCCO1 ZINC001142508831 816676843 /nfs/dbraw/zinc/67/68/43/816676843.db2.gz NCFCVVATAHHWAZ-VIFPVBQESA-N -1 1 257.280 2.281 20 10 CECDMM CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@H](C)C(=O)[O-])c1O ZINC000269238699 372394183 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C[N@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1CCOC1 ZINC000295228527 378061073 /nfs/dbraw/zinc/06/10/73/378061073.db2.gz CPLYNSMKOGYGJI-SECBINFHSA-N -1 1 259.708 2.405 20 10 CECDMM CC(C)[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CCCO1 ZINC000295431966 378154846 /nfs/dbraw/zinc/15/48/46/378154846.db2.gz UXPCWYHHYCLKBD-LBPRGKRZSA-N -1 1 297.326 2.124 20 10 CECDMM CC(C)OCCCCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000295662144 378255151 /nfs/dbraw/zinc/25/51/51/378255151.db2.gz IFORMXNLJMKBJZ-UHFFFAOYSA-N -1 1 285.315 2.172 20 10 CECDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2C)c1[O-] ZINC000037323451 173124383 /nfs/dbraw/zinc/12/43/83/173124383.db2.gz NDJVUPUHLWPHPR-VIFPVBQESA-N -1 1 283.755 2.469 20 10 CECDMM CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]3COC[C@H]32)c1O ZINC000370233904 267300978 /nfs/dbraw/zinc/30/09/78/267300978.db2.gz UFRKLISJUARWTF-XHDPSFHLSA-N -1 1 293.338 2.345 20 10 CECDMM CC(C)[C@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CCS1 ZINC000276590294 519826236 /nfs/dbraw/zinc/82/62/36/519826236.db2.gz MYSTYSQTRHEETD-LLVKDONJSA-N -1 1 299.367 2.451 20 10 CECDMM CCN(CC(C)C)C(=O)c1c([O-])c(O)ccc1F ZINC000276517124 520410625 /nfs/dbraw/zinc/41/06/25/520410625.db2.gz CAIVTYYVELRWGQ-UHFFFAOYSA-N -1 1 255.289 2.355 20 10 CECDMM C[C@@]1(C(=O)[O-])CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000128822388 604675873 /nfs/dbraw/zinc/67/58/73/604675873.db2.gz HPFOHWUJBVHMFL-CYBMUJFWSA-N -1 1 269.728 2.342 20 10 CECDMM C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000128822388 604675874 /nfs/dbraw/zinc/67/58/74/604675874.db2.gz HPFOHWUJBVHMFL-CYBMUJFWSA-N -1 1 269.728 2.342 20 10 CECDMM C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C(C)(C)C(=O)[O-] ZINC000833694995 605239644 /nfs/dbraw/zinc/23/96/44/605239644.db2.gz WIZIUPIWNSQKNR-UHFFFAOYSA-N -1 1 275.707 2.480 20 10 CECDMM CO[C@H](C(=O)NCc1cccc(Cl)c1[O-])C(C)C ZINC000890759106 622930413 /nfs/dbraw/zinc/93/04/13/622930413.db2.gz CFBDWSFDVWAQHL-LBPRGKRZSA-N -1 1 271.744 2.333 20 10 CECDMM C[C@H]1C[C@H](C(=O)NCc2cccc(Cl)c2[O-])CCO1 ZINC000890760110 622930641 /nfs/dbraw/zinc/93/06/41/622930641.db2.gz 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2.451 20 10 CECDMM O=C([O-])CC1([NH2+]Cc2cc(Cl)ccc2[O-])CCOCC1 ZINC000833205901 601561520 /nfs/dbraw/zinc/56/15/20/601561520.db2.gz IGSGQOWAAJLZCD-UHFFFAOYSA-N -1 1 299.754 2.159 20 10 CECDMM C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000833812217 605581806 /nfs/dbraw/zinc/58/18/06/605581806.db2.gz IAWYJTXSJRSKJD-WDEREUQCSA-N -1 1 296.342 2.399 20 10 CECDMM CC[C@H](NCc1cnn(C)n1)c1cccc(Cl)c1[O-] ZINC000806167194 622852666 /nfs/dbraw/zinc/85/26/66/622852666.db2.gz NZGMRSPRUKQJAJ-LBPRGKRZSA-N -1 1 280.759 2.415 20 10 CECDMM O=C(C[C@H]1CCCO1)NCc1cccc(Cl)c1[O-] ZINC000890758376 622929328 /nfs/dbraw/zinc/92/93/28/622929328.db2.gz WVEVVIIKRFWVMY-SNVBAGLBSA-N -1 1 269.728 2.231 20 10 CECDMM COCC(C)(C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759456 622931695 /nfs/dbraw/zinc/93/16/95/622931695.db2.gz CCVYUYVMCBVYSI-UHFFFAOYSA-N -1 1 271.744 2.334 20 10 CECDMM O=C1[N-]C(=S)S/C1=C/c1cccnc1Cl ZINC000255391287 623924883 /nfs/dbraw/zinc/92/48/83/623924883.db2.gz LJUQKPYADZNNKR-GQCTYLIASA-N -1 1 256.739 2.224 20 10 CECDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1CCCOC1 ZINC000892205312 624413754 /nfs/dbraw/zinc/41/37/54/624413754.db2.gz HMKZVKCZSCVZGV-JTQLQIEISA-N -1 1 298.770 2.271 20 10 CECDMM O=C1[N-]C(=S)S/C1=C/c1ccc2oncc2c1 ZINC000821022098 634605859 /nfs/dbraw/zinc/60/58/59/634605859.db2.gz OEMOIHXCBRBQPT-RUDMXATFSA-N -1 1 262.315 2.317 20 10 CECDMM [O-]c1c(Cl)cc(Cl)cc1CN1C[C@H]2C[C@@]2(O)C1 ZINC000895651245 630284604 /nfs/dbraw/zinc/28/46/04/630284604.db2.gz YXEQTCPBYFRETN-PRHODGIISA-N -1 1 274.147 2.266 20 10 CECDMM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000899409885 632839355 /nfs/dbraw/zinc/83/93/55/632839355.db2.gz ZHLBPIFGYMHTLK-XFWSIPNHSA-N -1 1 279.311 2.259 20 10 CECDMM CC1(C)CO[C@H](CCNC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000899454542 632863460 /nfs/dbraw/zinc/86/34/60/632863460.db2.gz AKNQPBHDBCCWKZ-SECBINFHSA-N -1 1 297.326 2.172 20 10 CECDMM O=C(NC[C@@H]1C[C@H]1C(F)(F)F)c1c(F)ccc(O)c1[O-] ZINC000900691570 633809826 /nfs/dbraw/zinc/80/98/26/633809826.db2.gz NNTUHMSEQRIJKV-NTSWFWBYSA-N -1 1 293.216 2.165 20 10 CECDMM O=C(NCc1cccc(Cl)c1[O-])c1nc(C2CC2)no1 ZINC000903044419 634953440 /nfs/dbraw/zinc/95/34/40/634953440.db2.gz FLVPSZQCOHKACA-UHFFFAOYSA-N -1 1 293.710 2.236 20 10 CECDMM CCc1ncc(CNCc2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000825079237 635560491 /nfs/dbraw/zinc/56/04/91/635560491.db2.gz OQHSHLYERGNHLG-UHFFFAOYSA-N -1 1 277.280 2.141 20 10 CECDMM C[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])C1CC1 ZINC000825542258 635658796 /nfs/dbraw/zinc/65/87/96/635658796.db2.gz JCDUUYAUXNNWCI-ZETCQYMHSA-N -1 1 253.273 2.013 20 10 CECDMM CCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)c(F)cc1[O-] ZINC000840997811 639612094 /nfs/dbraw/zinc/61/20/94/639612094.db2.gz MBLOQBZIMUCBNR-UHFFFAOYSA-N -1 1 275.707 2.481 20 10 CECDMM CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccccc2O)C1 ZINC000232785010 640359229 /nfs/dbraw/zinc/35/92/29/640359229.db2.gz USKBICWYCGJSNY-OAHLLOKOSA-N -1 1 263.337 2.325 20 10 CECDMM CC[C@@H](C(=O)[O-])[N@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000844838853 640849687 /nfs/dbraw/zinc/84/96/87/640849687.db2.gz IBIGYQDPBGCIIJ-LBPRGKRZSA-N -1 1 283.299 2.029 20 10 CECDMM CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000844838853 640849694 /nfs/dbraw/zinc/84/96/94/640849694.db2.gz IBIGYQDPBGCIIJ-LBPRGKRZSA-N -1 1 283.299 2.029 20 10 CECDMM O=C([O-])C[N@H+](Cc1cccc(Cl)c1[O-])CC1CC1 ZINC000844936529 640870201 /nfs/dbraw/zinc/87/02/01/640870201.db2.gz ORWVNYVWCPIFEN-UHFFFAOYSA-N -1 1 269.728 2.342 20 10 CECDMM O=C(NCc1ccccc1O)c1cc(F)ccc1[O-] ZINC000080022590 641346014 /nfs/dbraw/zinc/34/60/14/641346014.db2.gz WPGUTOOEVDVDJV-UHFFFAOYSA-N -1 1 261.252 2.167 20 10 CECDMM C[C@H](NCc1ccc(F)c(F)c1[O-])c1ccn(C)n1 ZINC000877585646 650801562 /nfs/dbraw/zinc/80/15/62/650801562.db2.gz LASIENJIPCWFLP-QMMMGPOBSA-N -1 1 267.279 2.255 20 10 CECDMM O=C(c1c(F)ccc(O)c1[O-])N1CCc2ccsc2C1 ZINC000788307551 648172164 /nfs/dbraw/zinc/17/21/64/648172164.db2.gz CLDIMTRRGXRSCI-UHFFFAOYSA-N -1 1 293.319 2.497 20 10 CECDMM Cc1cc([N+](=O)[O-])ccc1C=C1SC(=S)[N-]C1=O ZINC000588449885 802982575 /nfs/dbraw/zinc/98/25/75/802982575.db2.gz GBUIYNQJEAYCML-WEVVVXLNSA-N -1 1 280.330 2.392 20 10 CECDMM CCc1cccnc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170317114 812385754 /nfs/dbraw/zinc/38/57/54/812385754.db2.gz ZMZIXNRLLVJDJV-UHFFFAOYSA-N -1 1 272.304 2.350 20 10 CECDMM [O-]c1c(F)ccc(F)c1CN1CCC(F)(F)[C@@H](CO)C1 ZINC001139683403 814730931 /nfs/dbraw/zinc/73/09/31/814730931.db2.gz CUAKBADGFDOWSE-MRVPVSSYSA-N -1 1 293.260 2.120 20 10 CECDMM O=S(=O)([N-]c1ccc(O)cc1)c1ccsc1 ZINC000714377230 814901546 /nfs/dbraw/zinc/90/15/46/814901546.db2.gz ADEXXHLPIKIUQN-UHFFFAOYSA-N -1 1 255.320 2.255 20 10 CECDMM CCOC(=O)CN(Cc1c([O-])cccc1F)C1CC1 ZINC001137839981 815695277 /nfs/dbraw/zinc/69/52/77/815695277.db2.gz OMXFAJJAJDAHGO-UHFFFAOYSA-N -1 1 267.300 2.059 20 10 CECDMM [O-]c1cc(F)c(F)cc1CN(C1CC1)C1COC1 ZINC001142524629 816679592 /nfs/dbraw/zinc/67/95/92/816679592.db2.gz DVQQRIPMBWNXMY-UHFFFAOYSA-N -1 1 255.264 2.034 20 10 CECDMM CCOC[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])C(C)C ZINC000295568527 378216462 /nfs/dbraw/zinc/21/64/62/378216462.db2.gz YNFBWIUNTANBHS-SNVBAGLBSA-N -1 1 285.315 2.028 20 10 CECDMM C[C@H]1CCCCN(C(=O)c2c([O-])c(O)ccc2F)C1 ZINC000295093976 299748706 /nfs/dbraw/zinc/74/87/06/299748706.db2.gz ZSPBUEWSMHRMPN-VIFPVBQESA-N -1 1 267.300 2.499 20 10 CECDMM CC(=O)c1cc(F)cc(C[NH2+]C2(C(=O)[O-])CCCC2)c1[O-] ZINC000769751064 596917590 /nfs/dbraw/zinc/91/75/90/596917590.db2.gz FJSSOZYJXSAVSD-UHFFFAOYSA-N -1 1 295.310 2.221 20 10 CECDMM O=C([O-])C[C@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000833210853 604976922 /nfs/dbraw/zinc/97/69/22/604976922.db2.gz OHHNXEMUWMSFHR-GFCCVEGCSA-N -1 1 286.331 2.380 20 10 CECDMM O=C([O-])C[C@H]1CCC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000833210853 604976924 /nfs/dbraw/zinc/97/69/24/604976924.db2.gz OHHNXEMUWMSFHR-GFCCVEGCSA-N -1 1 286.331 2.380 20 10 CECDMM CC(C)[N@@H+](CCC(=O)[O-])Cc1cccc(F)c1[O-] ZINC000833497131 605481300 /nfs/dbraw/zinc/48/13/00/605481300.db2.gz OXVPMORPDQAOCB-UHFFFAOYSA-N -1 1 255.289 2.216 20 10 CECDMM O=C([O-])NC[C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000834214725 605568076 /nfs/dbraw/zinc/56/80/76/605568076.db2.gz IXYJXSIKBYNOLI-JTQLQIEISA-N -1 1 282.315 2.011 20 10 CECDMM O=C([O-])NC[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000834224330 605571933 /nfs/dbraw/zinc/57/19/33/605571933.db2.gz ITWWOAGIINFFPK-VIFPVBQESA-N -1 1 284.743 2.135 20 10 CECDMM O=C([O-])NC[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000834224330 605571935 /nfs/dbraw/zinc/57/19/35/605571935.db2.gz ITWWOAGIINFFPK-VIFPVBQESA-N -1 1 284.743 2.135 20 10 CECDMM O=C([O-])NC[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000834221973 605995571 /nfs/dbraw/zinc/99/55/71/605995571.db2.gz VSFFWQGXSVGFRB-SNVBAGLBSA-N -1 1 284.743 2.278 20 10 CECDMM CCO[C@@H]1C[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890758460 622929288 /nfs/dbraw/zinc/92/92/88/622929288.db2.gz ZDVPTKHPOKUUGZ-GXSJLCMTSA-N -1 1 269.728 2.087 20 10 CECDMM COC(=O)CCCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890759395 622931609 /nfs/dbraw/zinc/93/16/09/622931609.db2.gz KSVDPYGKGYSPRB-UHFFFAOYSA-N -1 1 285.727 2.005 20 10 CECDMM O=C(NCc1cccc(Cl)c1[O-])c1cc2n(n1)CCC2 ZINC000890760838 622932492 /nfs/dbraw/zinc/93/24/92/622932492.db2.gz AMUJDRIABKUUJA-UHFFFAOYSA-N -1 1 291.738 2.118 20 10 CECDMM O=C(NCc1cccc(Cl)c1[O-])C1(C(=O)C2CC2)CC1 ZINC000890761395 622933137 /nfs/dbraw/zinc/93/31/37/622933137.db2.gz QHUPNNSQPDREJC-UHFFFAOYSA-N -1 1 293.750 2.421 20 10 CECDMM COc1ccc(C=C2SC(=S)[N-]C2=O)s1 ZINC000177889873 625908965 /nfs/dbraw/zinc/90/89/65/625908965.db2.gz FTEJQNUHTBHIEU-XQRVVYSFSA-N -1 1 257.361 2.246 20 10 CECDMM CO[C@@H](CNC(=O)NCc1cccc(Cl)c1[O-])C1CC1 ZINC000895056189 629829670 /nfs/dbraw/zinc/82/96/70/629829670.db2.gz YIDVJNQFSNYKLB-LBPRGKRZSA-N -1 1 298.770 2.270 20 10 CECDMM CC[C@@H](C(=O)NCc1cccc(Cl)c1[O-])[C@@H](C)O ZINC000900839142 633862883 /nfs/dbraw/zinc/86/28/83/633862883.db2.gz RJLHTUBIYLPCAD-PSASIEDQSA-N -1 1 271.744 2.069 20 10 CECDMM O=C(c1c(F)ccc(O)c1[O-])N1CC(Cc2ccoc2)C1 ZINC000900842702 633863807 /nfs/dbraw/zinc/86/38/07/633863807.db2.gz JIBVLOGGKGSUMT-UHFFFAOYSA-N -1 1 291.278 2.145 20 10 CECDMM COC1CCC(CNC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000826708271 635823379 /nfs/dbraw/zinc/82/33/79/635823379.db2.gz DTOQMJGCEPACPY-UHFFFAOYSA-N -1 1 297.326 2.172 20 10 CECDMM O=C(c1c([O-])c(O)ccc1F)N1CCC(C(F)F)CC1 ZINC000827032414 636193207 /nfs/dbraw/zinc/19/32/07/636193207.db2.gz YXWLTMWAKFRSAO-UHFFFAOYSA-N -1 1 289.253 2.354 20 10 CECDMM C[C@@H]1[C@H](C)CN(C(=O)c2c([O-])c(O)ccc2F)[C@H]1C ZINC000842273257 639992005 /nfs/dbraw/zinc/99/20/05/639992005.db2.gz DCEFFBGMVAGNAV-HLTSFMKQSA-N -1 1 267.300 2.353 20 10 CECDMM CCOc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C(=O)[O-])c(O)c1 ZINC000844934132 640870124 /nfs/dbraw/zinc/87/01/24/640870124.db2.gz KTNZYJYIYLAEOB-GWCFXTLKSA-N -1 1 279.336 2.228 20 10 CECDMM CC[C@@H](C)CCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000857306989 644882839 /nfs/dbraw/zinc/88/28/39/644882839.db2.gz MYWXHBKOCJUBEI-MRVPVSSYSA-N -1 1 255.289 2.403 20 10 CECDMM O=C1[N-]C(=S)S/C1=C/c1nc(Cl)cs1 ZINC000759071783 644983272 /nfs/dbraw/zinc/98/32/72/644983272.db2.gz GORYPZTZVQJRQF-HNQUOIGGSA-N -1 1 262.768 2.285 20 10 CECDMM Cc1cnc(C(=O)NCc2ccc(N(C)C)cc2)c([O-])c1 ZINC000763233502 645519262 /nfs/dbraw/zinc/51/92/62/645519262.db2.gz NLHXIMQXQBBVSJ-UHFFFAOYSA-N -1 1 285.347 2.092 20 10 CECDMM C[C@@H]1C[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000764780431 645689378 /nfs/dbraw/zinc/68/93/78/645689378.db2.gz QLDBNPFEFKDJKH-GMSGAONNSA-N -1 1 299.168 2.362 20 10 CECDMM Cc1nccnc1[C@@H](C)NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000783238080 647699463 /nfs/dbraw/zinc/69/94/63/647699463.db2.gz PVAMVRXVCLNZCW-SNVBAGLBSA-N -1 1 288.307 2.250 20 10 CECDMM CC(C)[C@H]1C[C@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784787925 647883260 /nfs/dbraw/zinc/88/32/60/647883260.db2.gz TVHIIRPRKWTSTA-GHMZBOCLSA-N -1 1 278.304 2.116 20 10 CECDMM Cc1ccc2nc(C=C3SC(=S)[N-]C3=O)cn2c1 ZINC000789127231 648261559 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815693974 /nfs/dbraw/zinc/69/39/74/815693974.db2.gz WIRWMUSUIMKNAP-UHFFFAOYSA-N -1 1 251.301 2.332 20 10 CECDMM [O-]c1c(F)cccc1CN1CC(Oc2cccnc2)C1 ZINC001138127926 815733174 /nfs/dbraw/zinc/73/31/74/815733174.db2.gz WHYJBPDKNHYNKY-UHFFFAOYSA-N -1 1 274.295 2.190 20 10 CECDMM O=C(NCc1cccc(O)c1O)c1c([O-])cccc1Cl ZINC001176565620 816443092 /nfs/dbraw/zinc/44/30/92/816443092.db2.gz MHKFWHOJXHRQQT-UHFFFAOYSA-N -1 1 293.706 2.387 20 10 CECDMM Cc1cc(Cl)cc(C[N@H+]2CCO[C@]3(CCOC3)C2)c1O ZINC000187536030 369173819 /nfs/dbraw/zinc/17/38/19/369173819.db2.gz XWDKPWYKKCEYHZ-OAHLLOKOSA-N -1 1 297.782 2.345 20 10 CECDMM [O-]c1c(Cl)cccc1C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000187536072 369173824 /nfs/dbraw/zinc/17/38/24/369173824.db2.gz NZZZARFRNNPRFH-CQSZACIVSA-N -1 1 283.755 2.037 20 10 CECDMM C[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CC(=O)N1C ZINC000281732967 375394525 /nfs/dbraw/zinc/39/45/25/375394525.db2.gz AWEKGQLSJSDDGR-LBPRGKRZSA-N -1 1 284.359 2.208 20 10 CECDMM CCCCOCCCNC(=O)c1c(F)ccc(O)c1[O-] 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HICNNABBZCVZNG-UHFFFAOYSA-N -1 1 271.675 2.206 20 10 CECDMM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000899409882 632839292 /nfs/dbraw/zinc/83/92/92/632839292.db2.gz ZHLBPIFGYMHTLK-DOLQZWNJSA-N -1 1 279.311 2.259 20 10 CECDMM CC(C)c1c[nH]c(C=C2SC(=S)[N-]C2=O)n1 ZINC000901417538 634101472 /nfs/dbraw/zinc/10/14/72/634101472.db2.gz QPMYQOGOKWXQFX-XVNBXDOJSA-N -1 1 253.352 2.022 20 10 CECDMM COC(=O)C1(C)CN(Cc2cccc(Cl)c2[O-])C1 ZINC000822534745 634938959 /nfs/dbraw/zinc/93/89/59/634938959.db2.gz VUTUXMSUJMAXHJ-UHFFFAOYSA-N -1 1 269.728 2.041 20 10 CECDMM CSCC[C@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000825944625 635737105 /nfs/dbraw/zinc/73/71/05/635737105.db2.gz BVPDBKBBHFSDIJ-ZETCQYMHSA-N -1 1 273.329 2.108 20 10 CECDMM C[C@H]1CC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000829680868 636908710 /nfs/dbraw/zinc/90/87/10/636908710.db2.gz GSKLEENOMXHZJI-YUMQZZPRSA-N -1 1 253.273 2.155 20 10 CECDMM O=C([O-])[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000840997466 639611705 /nfs/dbraw/zinc/61/17/05/639611705.db2.gz NALDRKXAPMDCIT-QMMMGPOBSA-N -1 1 287.718 2.481 20 10 CECDMM CCc1nnc([C@H](C)NCc2ccc(F)c(F)c2[O-])[nH]1 ZINC000877131391 650587198 /nfs/dbraw/zinc/58/71/98/650587198.db2.gz YXHBIYGEUBVXRY-ZETCQYMHSA-N -1 1 282.294 2.202 20 10 CECDMM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1c(F)ccc(O)c1[O-] ZINC000844153349 640618445 /nfs/dbraw/zinc/61/84/45/640618445.db2.gz LHWYMVWGIZALKE-IWSPIJDZSA-N -1 1 265.284 2.155 20 10 CECDMM COc1c([O-])c(CN2CCC[C@@H](F)C2)ccc1[N+](=O)[O-] ZINC000846119961 641192257 /nfs/dbraw/zinc/19/22/57/641192257.db2.gz LKBNEDHZMNROKY-SNVBAGLBSA-N -1 1 284.287 2.243 20 10 CECDMM C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000775403204 646950277 /nfs/dbraw/zinc/95/02/77/646950277.db2.gz HLWUWNBRNNNXKR-QMMMGPOBSA-N -1 1 260.259 2.492 20 10 CECDMM C[C@H](NC(=O)c1ncccc1[O-])c1ccc(N(C)C)cc1 ZINC000776270468 647044454 /nfs/dbraw/zinc/04/44/54/647044454.db2.gz UCXPDQRHIKKWGI-NSHDSACASA-N -1 1 285.347 2.344 20 10 CECDMM CC(C)(C)/C=C\C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783633237 647740793 /nfs/dbraw/zinc/74/07/93/647740793.db2.gz JKXKRIXPTAHKPK-SREVYHEPSA-N -1 1 278.304 2.426 20 10 CECDMM CS[C@@H](C)CCC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784530139 647859557 /nfs/dbraw/zinc/85/95/57/647859557.db2.gz JIVWBQOHQGHSOJ-VIFPVBQESA-N -1 1 298.360 2.355 20 10 CECDMM O=C(c1c([O-])c(O)ccc1F)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000789991139 648367371 /nfs/dbraw/zinc/36/73/71/648367371.db2.gz ARGYZJWOLHEPHF-AOOOYVTPSA-N -1 1 279.311 2.499 20 10 CECDMM O=C(c1c(F)ccc(O)c1[O-])N1CC[C@@H]2CSC[C@@H]2C1 ZINC000881439286 651723244 /nfs/dbraw/zinc/72/32/44/651723244.db2.gz MBXCBHZQSJZVCM-BDAKNGLRSA-N -1 1 297.351 2.062 20 10 CECDMM CN1CCc2cc(C=C3SC(=S)[N-]C3=O)ccc21 ZINC000129687559 652110346 /nfs/dbraw/zinc/11/03/46/652110346.db2.gz WTJUODNKKXYRFW-YRNVUSSQSA-N -1 1 276.386 2.168 20 10 CECDMM O=C1CCCN(Cc2cc(F)c(F)cc2[O-])C[C@@H]1F ZINC001142509146 806608740 /nfs/dbraw/zinc/60/87/40/806608740.db2.gz YQGGPDLTRBDHCL-NSHDSACASA-N -1 1 273.254 2.173 20 10 CECDMM O=C1CCN(Cc2c([O-])cccc2F)CC[C@H]1F ZINC001137833215 815693056 /nfs/dbraw/zinc/69/30/56/815693056.db2.gz XIDCJXXIIKDSQD-LLVKDONJSA-N -1 1 255.264 2.034 20 10 CECDMM Cc1ncc(CN(C)Cc2c([O-])cccc2F)cn1 ZINC001137839521 815695225 /nfs/dbraw/zinc/69/52/25/815695225.db2.gz BHEUGAQEUQZFOU-UHFFFAOYSA-N -1 1 261.300 2.262 20 10 CECDMM CCOC(=O)[C@@]12C[C@@H]1CCN2Cc1cccc(F)c1[O-] ZINC001138123849 815730435 /nfs/dbraw/zinc/73/04/35/815730435.db2.gz OCDVXPKZWJJKFG-XHDPSFHLSA-N -1 1 279.311 2.059 20 10 CECDMM [O-]c1cc(F)cc(F)c1CN1CCC[C@@H](n2cncn2)C1 ZINC001140583482 816292866 /nfs/dbraw/zinc/29/28/66/816292866.db2.gz IQSXOINLLIFQMK-LLVKDONJSA-N -1 1 294.305 2.099 20 10 CECDMM CC[C@@H]1COCCN1Cc1cc(F)c(F)cc1[O-] ZINC001142526923 816681090 /nfs/dbraw/zinc/68/10/90/816681090.db2.gz BVZRHMHORHTHKE-SNVBAGLBSA-N -1 1 257.280 2.281 20 10 CECDMM CCOC(=O)[C@H]1CCCCN1Cc1cccc(F)c1[O-] ZINC000272234635 373375008 /nfs/dbraw/zinc/37/50/08/373375008.db2.gz FKNHJSISNLTIBC-CYBMUJFWSA-N -1 1 281.327 2.449 20 10 CECDMM O=C(NC[C@H]1CCCSC1)c1c(F)ccc(O)c1[O-] ZINC000295410760 378145270 /nfs/dbraw/zinc/14/52/70/378145270.db2.gz HSUBUNGFQVXYAK-MRVPVSSYSA-N -1 1 285.340 2.110 20 10 CECDMM CC1CCN(C(=O)CN(C)Cc2ccccc2O)CC1 ZINC000109772519 394735352 /nfs/dbraw/zinc/73/53/52/394735352.db2.gz XQEHBXJXBFSDAD-UHFFFAOYSA-N -1 1 276.380 2.083 20 10 CECDMM O=C1[N-]C(=S)S/C1=C/c1ccc(N2CCCC2)nc1 ZINC000176949850 395143696 /nfs/dbraw/zinc/14/36/96/395143696.db2.gz VUWQRQZDIGYKRL-JXMROGBWSA-N -1 1 291.401 2.171 20 10 CECDMM Cc1c(C[NH2+][C@H](C)c2ccc(F)cc2O)cnn1C ZINC000186188095 262312113 /nfs/dbraw/zinc/31/21/13/262312113.db2.gz DGIBCHPQEQZONR-SECBINFHSA-N -1 1 263.316 2.424 20 10 CECDMM C[C@@H]1CN(C(=O)c2c([O-])c(O)ccc2F)CCC1(F)F ZINC000296004677 288012002 /nfs/dbraw/zinc/01/20/02/288012002.db2.gz KXNZOXDJVLWMMQ-SSDOTTSWSA-N -1 1 289.253 2.354 20 10 CECDMM CC(=O)c1cc(Cl)cc(CN[C@@]2(C)CCOC2=O)c1[O-] ZINC000289580002 518280247 /nfs/dbraw/zinc/28/02/47/518280247.db2.gz OZZDKJVNHUNMLC-AWEZNQCLSA-N -1 1 297.738 2.043 20 10 CECDMM O=C(N[C@H]1CC=CCC1)c1c([O-])c(O)ccc1F ZINC000277805820 527018544 /nfs/dbraw/zinc/01/85/44/527018544.db2.gz WBGKKHZXSNZJTB-QMMMGPOBSA-N -1 1 251.257 2.075 20 10 CECDMM O=C([O-])N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000834181234 605846495 /nfs/dbraw/zinc/84/64/95/605846495.db2.gz HIBVKSAFMHZRII-LLVKDONJSA-N -1 1 284.743 2.278 20 10 CECDMM O=C([O-])N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000834181234 605846497 /nfs/dbraw/zinc/84/64/97/605846497.db2.gz HIBVKSAFMHZRII-LLVKDONJSA-N -1 1 284.743 2.278 20 10 CECDMM O=C([O-])N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000834181234 605846501 /nfs/dbraw/zinc/84/65/01/605846501.db2.gz HIBVKSAFMHZRII-LLVKDONJSA-N -1 1 284.743 2.278 20 10 CECDMM COCC1(C(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890759116 622930155 /nfs/dbraw/zinc/93/01/55/622930155.db2.gz CWGRIWAWMBAHGD-UHFFFAOYSA-N -1 1 269.728 2.088 20 10 CECDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCCOCC1 ZINC000890759155 622930603 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624891683 /nfs/dbraw/zinc/89/16/83/624891683.db2.gz CGTCDZNUKITJIH-UHFFFAOYSA-N -1 1 270.086 2.150 20 10 CECDMM CN1CCCc2cc(CNC(=O)c3ncccc3[O-])ccc21 ZINC000725893706 628215866 /nfs/dbraw/zinc/21/58/66/628215866.db2.gz SJARPPQCTIXLND-UHFFFAOYSA-N -1 1 297.358 2.100 20 10 CECDMM COC(C)(C)CNC(=O)NCc1cccc(Cl)c1[O-] ZINC000893278558 628231686 /nfs/dbraw/zinc/23/16/86/628231686.db2.gz GXDFOGOOEYDDGS-UHFFFAOYSA-N -1 1 286.759 2.270 20 10 CECDMM O=C(COC(=O)C(F)=C1CCC1)c1ccc([O-])c(O)c1 ZINC000821380373 634704013 /nfs/dbraw/zinc/70/40/13/634704013.db2.gz PREZWSDYLBIGRL-UHFFFAOYSA-N -1 1 280.251 2.231 20 10 CECDMM O=C(NCc1cccc(Cl)c1[O-])NCC1=CCOCC1 ZINC000895108652 629906896 /nfs/dbraw/zinc/90/68/96/629906896.db2.gz HTUWEZNYAITJQC-UHFFFAOYSA-N -1 1 296.754 2.192 20 10 CECDMM CC(C)(C)c1ncc(C=C2SC(=S)[N-]C2=O)cn1 ZINC000806565594 631753624 /nfs/dbraw/zinc/75/36/24/631753624.db2.gz PLRKSEWOEGYAOJ-YWEYNIOJSA-N -1 1 279.390 2.263 20 10 CECDMM CC1(C)C[C@@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000825818742 635717284 /nfs/dbraw/zinc/71/72/84/635717284.db2.gz GZDCWTCAHNQLOC-SSDOTTSWSA-N -1 1 253.273 2.013 20 10 CECDMM CSCCCCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000825935661 635734632 /nfs/dbraw/zinc/73/46/32/635734632.db2.gz CVTHTJLLGHXEPB-UHFFFAOYSA-N -1 1 273.329 2.110 20 10 CECDMM O=C1C[N@H+](Cc2ccc3ccccc3c2O)CCN1C1CC1 ZINC000816512400 633403913 /nfs/dbraw/zinc/40/39/13/633403913.db2.gz HNWUCRCAHFXIKV-UHFFFAOYSA-N -1 1 296.370 2.352 20 10 CECDMM CC1(C)CCN(C(=O)c2c([O-])c(O)ccc2F)CC1 ZINC000825693859 635696166 /nfs/dbraw/zinc/69/61/66/635696166.db2.gz KZGQGYYMGQGJQQ-UHFFFAOYSA-N -1 1 267.300 2.499 20 10 CECDMM CCc1noc(NCc2cc(F)cc(F)c2[O-])n1 ZINC000905412413 636263408 /nfs/dbraw/zinc/26/34/08/636263408.db2.gz DMNYGVYXNYFBCS-UHFFFAOYSA-N -1 1 255.224 2.228 20 10 CECDMM O=C(NCCC1(F)CCC1)c1c(F)ccc(O)c1[O-] ZINC000832025301 637482484 /nfs/dbraw/zinc/48/24/84/637482484.db2.gz KBVRKKOCKSZNBE-UHFFFAOYSA-N -1 1 271.263 2.249 20 10 CECDMM C[C@@H](NCc1ccc(F)c(F)c1[O-])c1ccn(C)n1 ZINC000877585645 650801674 /nfs/dbraw/zinc/80/16/74/650801674.db2.gz LASIENJIPCWFLP-MRVPVSSYSA-N -1 1 267.279 2.255 20 10 CECDMM O=C([O-])[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000086727964 643382245 /nfs/dbraw/zinc/38/22/45/643382245.db2.gz PLTZWNXFOUQNBD-SECBINFHSA-N -1 1 269.728 2.342 20 10 CECDMM O=C([O-])[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000086727964 643382254 /nfs/dbraw/zinc/38/22/54/643382254.db2.gz PLTZWNXFOUQNBD-SECBINFHSA-N -1 1 269.728 2.342 20 10 CECDMM Cc1cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])ncn1 ZINC000756777414 644691477 /nfs/dbraw/zinc/69/14/77/644691477.db2.gz XLGAMRJOGIXRFU-JTQLQIEISA-N -1 1 288.307 2.250 20 10 CECDMM CC(C)[C@@H]1C[C@H]1NC(=O)c1c(F)ccc(O)c1[O-] ZINC000839796489 645575952 /nfs/dbraw/zinc/57/59/52/645575952.db2.gz CJQQFXHZJLOKEM-IONNQARKSA-N -1 1 253.273 2.011 20 10 CECDMM CC/C=C(\C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782306913 647611799 /nfs/dbraw/zinc/61/17/99/647611799.db2.gz WZWRDDDKPJJNLN-RUDMXATFSA-N -1 1 264.277 2.180 20 10 CECDMM COc1ccc(CNC(=O)c2ccc([O-])c(F)c2)c(O)c1 ZINC000794381097 648860692 /nfs/dbraw/zinc/86/06/92/648860692.db2.gz KWYMHPXIADRKHB-UHFFFAOYSA-N -1 1 291.278 2.176 20 10 CECDMM O=C(c1c([O-])c(O)ccc1F)N1CCC[C@@H](CF)C1 ZINC000881599556 651815348 /nfs/dbraw/zinc/81/53/48/651815348.db2.gz BVZVSNNQYWNMRY-QMMMGPOBSA-N -1 1 271.263 2.059 20 10 CECDMM [O-]c1cc(F)c(F)cc1CN1CCO[C@@H](C(F)(F)F)C1 ZINC001142527171 806618873 /nfs/dbraw/zinc/61/88/73/806618873.db2.gz MXJHIMMFOWGMDO-LLVKDONJSA-N -1 1 297.223 2.434 20 10 CECDMM COC(=O)CC1CN(Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236811813 808168249 /nfs/dbraw/zinc/16/82/49/808168249.db2.gz PEXZZSAVKJJKIW-UHFFFAOYSA-N -1 1 299.754 2.049 20 10 CECDMM Cc1ncccc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170315160 812384944 /nfs/dbraw/zinc/38/49/44/812384944.db2.gz QWWIPBNNNJVQSW-UHFFFAOYSA-N -1 1 258.277 2.096 20 10 CECDMM [O-]c1cccc(F)c1CN1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001137839008 815694943 /nfs/dbraw/zinc/69/49/43/815694943.db2.gz NQEZWUPXMOVDRU-VIRWGQHYSA-N -1 1 291.244 2.435 20 10 CECDMM [O-]c1c(F)cccc1CN1CC(F)(F)CC[C@@H]1CO ZINC001138122401 815730619 /nfs/dbraw/zinc/73/06/19/815730619.db2.gz BYNKHHLZKKCPGA-SNVBAGLBSA-N -1 1 275.270 2.123 20 10 CECDMM C[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2O)CCCO1 ZINC001142508830 816676905 /nfs/dbraw/zinc/67/69/05/816676905.db2.gz NCFCVVATAHHWAZ-SECBINFHSA-N -1 1 257.280 2.281 20 10 CECDMM CN(CC(=O)OC(C)(C)C)Cc1cc(F)c(F)cc1[O-] ZINC001142513065 816679100 /nfs/dbraw/zinc/67/91/00/816679100.db2.gz VXOMXIRNYBHRMK-UHFFFAOYSA-N -1 1 287.306 2.444 20 10 CECDMM CC(C)[C@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CCCO1 ZINC000295431963 378154703 /nfs/dbraw/zinc/15/47/03/378154703.db2.gz UXPCWYHHYCLKBD-GFCCVEGCSA-N -1 1 297.326 2.124 20 10 CECDMM CCCN(CCC)C(=O)CN(C)Cc1ccccc1O ZINC000109773466 394735047 /nfs/dbraw/zinc/73/50/47/394735047.db2.gz CTWBNYUBNOOPET-UHFFFAOYSA-N -1 1 278.396 2.473 20 10 CECDMM O=C(Cn1ccnc1-c1ccccn1)c1ccc([O-])c(O)c1 ZINC000370357034 267311652 /nfs/dbraw/zinc/31/16/52/267311652.db2.gz HEJJPQMJPJJSPF-UHFFFAOYSA-N 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