smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])[C@@H](C(=O)[O-])C1 ZINC001598800397 996134867 /nfs/dbraw/zinc/13/48/67/996134867.db2.gz OUSPSMUFIZEMTB-PRHODGIISA-N -1 1 345.754 2.023 20 10 EECDMM CO[C@H]1CC[N@H+](Cc2c([O-])cccc2Br)[C@@H](C(=O)[O-])C1 ZINC001599124908 997822510 /nfs/dbraw/zinc/82/25/10/997822510.db2.gz VJBPOSVSQARWKF-JOYOIKCWSA-N -1 1 344.205 2.219 20 10 EECDMM CO[C@H]1CC[N@@H+](Cc2c([O-])cccc2Br)[C@@H](C(=O)[O-])C1 ZINC001599124908 997822520 /nfs/dbraw/zinc/82/25/20/997822520.db2.gz VJBPOSVSQARWKF-JOYOIKCWSA-N -1 1 344.205 2.219 20 10 EECDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CCCO1 ZINC000277682187 463925107 /nfs/dbraw/zinc/92/51/07/463925107.db2.gz FRHAWCVMMYRZRV-JTQLQIEISA-N -1 1 329.194 2.133 20 10 EECDMM COC(=O)[C@H]1C[C@H](C)CCN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278478723 463966679 /nfs/dbraw/zinc/96/66/79/463966679.db2.gz IZPNLIULTCCSSG-ZWNOBZJWSA-N -1 1 338.360 2.083 20 10 EECDMM Cc1ccc(C)n1-c1ccc(C)cc1C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765459256 577501352 /nfs/dbraw/zinc/50/13/52/577501352.db2.gz IDXXCNHNEIPZIF-UHFFFAOYSA-N -1 1 340.383 2.181 20 10 EECDMM O=C(CCCn1ccnc1)NCc1cccc(Br)c1[O-] ZINC000765729605 577506205 /nfs/dbraw/zinc/50/62/05/577506205.db2.gz QAGBUZZFQKHEDR-UHFFFAOYSA-N -1 1 338.205 2.448 20 10 EECDMM O=C(NCc1cccc(Br)c1[O-])c1ccc2nc[nH]c2n1 ZINC000765747507 577506517 /nfs/dbraw/zinc/50/65/17/577506517.db2.gz PEYZJDKBZMUODS-UHFFFAOYSA-N -1 1 347.172 2.356 20 10 EECDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccccc1O ZINC000751148939 577748599 /nfs/dbraw/zinc/74/85/99/577748599.db2.gz CVOQGFPWTFOBTQ-UHFFFAOYSA-N -1 1 342.760 2.432 20 10 EECDMM CN1C(=O)C2(CCCC2)N[C@H]1c1cc(O)cc(Br)c1[O-] ZINC000742440452 577872964 /nfs/dbraw/zinc/87/29/64/577872964.db2.gz VBCDVHYUHZRQBO-GFCCVEGCSA-N -1 1 341.205 2.233 20 10 EECDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000890761496 675598767 /nfs/dbraw/zinc/59/87/67/675598767.db2.gz UAZLXTJQHNXTOS-SGMGOOAPSA-N -1 1 336.819 2.357 20 10 EECDMM O=C(NCCCOC[C@@H]1CCCO1)NCc1cccc(Cl)c1[O-] ZINC000891637653 676742877 /nfs/dbraw/zinc/74/28/77/676742877.db2.gz BSMXHLDSSBVKHN-ZDUSSCGKSA-N -1 1 342.823 2.431 20 10 EECDMM [O-]c1cc(F)c(F)cc1CN1CCN(c2nccnc2Cl)CC1 ZINC001142509001 1188208673 /nfs/dbraw/zinc/20/86/73/1188208673.db2.gz SLAYPMXGCHVARO-UHFFFAOYSA-N -1 1 340.761 2.436 20 10 EECDMM CC(C)NC(=O)N1C[C@@H]2CCN(Cc3c([O-])cc(F)cc3F)[C@@H]2C1 ZINC001275306490 1205304291 /nfs/dbraw/zinc/30/42/91/1205304291.db2.gz KASTXQJCIMCRKC-XHDPSFHLSA-N -1 1 339.386 2.295 20 10 EECDMM Cc1nn(CC(C)C)c(C)c1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001193877220 1282743409 /nfs/dbraw/zinc/74/34/09/1282743409.db2.gz PAHDRRHULFPHON-UHFFFAOYSA-N -1 1 345.399 2.180 20 10 EECDMM CN(C)C(=O)[C@H]1CCSC12CN(Cc1c(F)ccc(F)c1[O-])C2 ZINC001276943139 1300406000 /nfs/dbraw/zinc/40/60/00/1300406000.db2.gz NRXHGDTYNMEYBS-LLVKDONJSA-N -1 1 342.411 2.066 20 10 EECDMM CN(C)C(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1cc(Br)ccc1O ZINC001277456892 1303223219 /nfs/dbraw/zinc/22/32/19/1303223219.db2.gz JJQOFFBJODIGGT-ABAIWWIYSA-N -1 1 339.233 2.207 20 10 EECDMM CC(C)(C)OC(=O)N1CC2(CN(Cc3cc(C(=O)[O-])ccc3O)C2)C1 ZINC001231561226 1303846853 /nfs/dbraw/zinc/84/68/53/1303846853.db2.gz PTTRUIQCUYJMEX-UHFFFAOYSA-N -1 1 348.399 2.143 20 10 EECDMM O=C(N[C@@H]1CCCN(Cc2ccc(F)c(F)c2[O-])C1)c1ccncc1 ZINC001233079367 1304353872 /nfs/dbraw/zinc/35/38/72/1304353872.db2.gz APDDVURHBWSQOR-CQSZACIVSA-N -1 1 347.365 2.460 20 10 EECDMM COC(=O)C[C@@H]1CN(Cc2cc(Cl)c(Cl)cc2[O-])CCO1 ZINC001236795975 1305680280 /nfs/dbraw/zinc/68/02/80/1305680280.db2.gz LWCJTMOKDNASDV-SNVBAGLBSA-N -1 1 334.199 2.463 20 10 EECDMM O=S(=O)(NCCN1CCCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC001251383602 1317454101 /nfs/dbraw/zinc/45/41/01/1317454101.db2.gz BPFGRCFANCXDTN-UHFFFAOYSA-N -1 1 339.244 2.073 20 10 EECDMM O=S1(=O)CC[C@@H](CF)C12CN(Cc1ccc(Cl)cc1[O-])C2 ZINC001140465228 1314893301 /nfs/dbraw/zinc/89/33/01/1314893301.db2.gz IYHWTDYIPICZMX-NSHDSACASA-N -1 1 333.812 2.004 20 10 EECDMM CCOC(=O)c1cc(C)cnc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001159276584 1319713643 /nfs/dbraw/zinc/71/36/43/1319713643.db2.gz LIYUKPGWJDHMLT-UHFFFAOYSA-N -1 1 330.340 2.273 20 10 EECDMM CC1CCN(c2ccc(NCC(=O)c3ccc([O-])c(O)c3)nn2)CC1 ZINC001159280264 1319716523 /nfs/dbraw/zinc/71/65/23/1319716523.db2.gz ITUFTMMKJQOPSZ-UHFFFAOYSA-N -1 1 342.399 2.419 20 10 EECDMM O=S(=O)([N-]c1cc(CO)ccc1Cl)c1cccc2nonc21 ZINC001260441610 1319890943 /nfs/dbraw/zinc/89/09/43/1319890943.db2.gz RVESCOACYXJZKH-UHFFFAOYSA-N -1 1 339.760 2.169 20 10 EECDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001592496444 1349637165 /nfs/dbraw/zinc/63/71/65/1349637165.db2.gz YWXAMFZMCMPLGU-UHFFFAOYSA-N -1 1 340.387 2.106 20 10 EECDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001592496444 1349637166 /nfs/dbraw/zinc/63/71/66/1349637166.db2.gz YWXAMFZMCMPLGU-UHFFFAOYSA-N -1 1 340.387 2.106 20 10 EECDMM Oc1cccc(F)c1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001593539943 1349836672 /nfs/dbraw/zinc/83/66/72/1349836672.db2.gz JSYKIMRYVFEBPP-UHFFFAOYSA-N -1 1 337.318 2.267 20 10 EECDMM Oc1cccc(F)c1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001593539943 1349836676 /nfs/dbraw/zinc/83/66/76/1349836676.db2.gz JSYKIMRYVFEBPP-UHFFFAOYSA-N -1 1 337.318 2.267 20 10 EECDMM CN(C)c1cc(F)c(CN(CCC(=O)[O-])C[C@H]2CCCO2)cc1F ZINC001606050442 1351265994 /nfs/dbraw/zinc/26/59/94/1351265994.db2.gz OXDBMOUOGVJVAD-CYBMUJFWSA-N -1 1 342.386 2.487 20 10 EECDMM [O-]c1c(Br)cccc1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001607110841 1351422554 /nfs/dbraw/zinc/42/25/54/1351422554.db2.gz KIYAYNMKZAUUOZ-UHFFFAOYSA-N -1 1 347.176 2.342 20 10 EECDMM O=C(Cc1cc(F)c(F)c(F)c1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001179959654 800213361 /nfs/dbraw/zinc/21/33/61/800213361.db2.gz YQQQMVPBDMUTHF-UHFFFAOYSA-N -1 1 339.269 2.057 20 10 EECDMM O=C(CNc1ncnc2cc3c(cc21)OCO3)c1ccc([O-])c(O)c1 ZINC001170316490 809887223 /nfs/dbraw/zinc/88/72/23/809887223.db2.gz GDWYPSCVIGAUSC-UHFFFAOYSA-N -1 1 339.307 2.065 20 10 EECDMM COC(=O)c1ccc(NCC(=O)c2ccc([O-])c(O)c2)c(F)c1F ZINC001170320512 809889314 /nfs/dbraw/zinc/88/93/14/809889314.db2.gz DZCOOYSJOUSOJA-UHFFFAOYSA-N -1 1 337.278 2.457 20 10 EECDMM CCC[C@@H]1C(=O)NCCN1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC001595619971 981684271 /nfs/dbraw/zinc/68/42/71/981684271.db2.gz SIYRVKHLHSRJCA-MRXNPFEDSA-N -1 1 342.395 2.344 20 10 EECDMM CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C[C@@H]2CCCO2)C(=O)[O-])c1[O-] ZINC001589268565 985956575 /nfs/dbraw/zinc/95/65/75/985956575.db2.gz UYSUNMPQWVASAL-GXTWGEPZSA-N -1 1 341.791 2.360 20 10 EECDMM COC[C@@](C)(CC(=O)[O-])[NH2+]Cc1c([O-])cccc1Br ZINC001599149335 998266780 /nfs/dbraw/zinc/26/67/80/998266780.db2.gz FHKNYKACDFRQGM-CYBMUJFWSA-N -1 1 332.194 2.124 20 10 EECDMM CCC(=O)N[C@@H](CCSC)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890757690 675592494 /nfs/dbraw/zinc/59/24/94/675592494.db2.gz IGNQMDKGSWXUIU-LBPRGKRZSA-N -1 1 344.864 2.310 20 10 EECDMM COc1ccnc(N2CC[NH+](Cc3c(O)cccc3Cl)CC2)n1 ZINC000129595937 462714599 /nfs/dbraw/zinc/71/45/99/462714599.db2.gz KJJZHFHFMOVDHN-UHFFFAOYSA-N -1 1 334.807 2.166 20 10 EECDMM CC(=O)c1cc(F)cc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1O ZINC000135556708 463174537 /nfs/dbraw/zinc/17/45/37/463174537.db2.gz NLZJBDMJDKGCKY-GJZGRUSLSA-N -1 1 325.405 2.440 20 10 EECDMM O=S(=O)([N-]c1cccc(N2CCOCC2)c1)c1ccc(F)cc1 ZINC000041374225 463482008 /nfs/dbraw/zinc/48/20/08/463482008.db2.gz CXUQZKMPUVOVPI-UHFFFAOYSA-N -1 1 336.388 2.463 20 10 EECDMM Cc1n[nH]c(C)c1CC(=O)NCc1cccc(Br)c1[O-] ZINC000277570659 463921838 /nfs/dbraw/zinc/92/18/38/463921838.db2.gz QMQGEUDITHCFRK-UHFFFAOYSA-N -1 1 338.205 2.354 20 10 EECDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2C)cn1C ZINC000273624016 464723185 /nfs/dbraw/zinc/72/31/85/464723185.db2.gz PALSLBBMNVPIOW-UHFFFAOYSA-N -1 1 338.385 2.017 20 10 EECDMM CC(=O)c1cc(F)cc(C[N@@H+]2CCOCC3(CCOCC3)C2)c1O ZINC000184115883 464949139 /nfs/dbraw/zinc/94/91/39/464949139.db2.gz ZFYSWOHHQKKCCA-UHFFFAOYSA-N -1 1 337.391 2.363 20 10 EECDMM CCCC(=O)NC[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000276561576 464981041 /nfs/dbraw/zinc/98/10/41/464981041.db2.gz JCUABLCOGFYJSN-NSHDSACASA-N -1 1 338.379 2.005 20 10 EECDMM O=C1NCCN1[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775658263 577441987 /nfs/dbraw/zinc/44/19/87/577441987.db2.gz MLHPWNAWGYKJHL-LBPRGKRZSA-N -1 1 327.787 2.174 20 10 EECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3c(c2)COC3)c1 ZINC000768895348 577565262 /nfs/dbraw/zinc/56/52/62/577565262.db2.gz BOQYZCHMIMLLNF-UHFFFAOYSA-N -1 1 348.380 2.046 20 10 EECDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000758773051 577630993 /nfs/dbraw/zinc/63/09/93/577630993.db2.gz GMRWMCHKRAXWKU-UHFFFAOYSA-N -1 1 333.365 2.331 20 10 EECDMM C[C@@H](C(=O)[O-])[N@@H+](C)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000817779239 597482211 /nfs/dbraw/zinc/48/22/11/597482211.db2.gz GJRSWWLPQUYAHS-NSHDSACASA-N -1 1 329.352 2.234 20 10 EECDMM CC(C)NC(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760577 675596221 /nfs/dbraw/zinc/59/62/21/675596221.db2.gz UERLWUUEWYSKGW-ZDUSSCGKSA-N -1 1 339.823 2.244 20 10 EECDMM CC[C@@H](C)NC(=O)CCNC(=O)NCc1cccc(Cl)c1[O-] ZINC000892161284 678178771 /nfs/dbraw/zinc/17/87/71/678178771.db2.gz KDWWJFPDVJIPMF-SNVBAGLBSA-N -1 1 327.812 2.150 20 10 EECDMM [O-]c1c(Br)cccc1CNc1nnc(CCO)s1 ZINC000865294173 1198155946 /nfs/dbraw/zinc/15/59/46/1198155946.db2.gz IKOSDNQJCLKXQE-UHFFFAOYSA-N -1 1 330.207 2.153 20 10 EECDMM CC(=O)c1cc(Cl)cc(CN2CC(=O)N[C@@H]3CCCC[C@@H]32)c1[O-] ZINC000133299424 1202188753 /nfs/dbraw/zinc/18/87/53/1202188753.db2.gz AZKDEYNSCBZUQX-CABCVRRESA-N -1 1 336.819 2.491 20 10 EECDMM COC1(CC(=O)N2C[C@H]3C[C@@H](C2)N3Cc2c([O-])cccc2F)CCC1 ZINC001276354578 1213899961 /nfs/dbraw/zinc/89/99/61/1213899961.db2.gz YEJYIJWAVHGAMR-OKILXGFUSA-N -1 1 348.418 2.276 20 10 EECDMM Cn1c(NC(=O)c2ccc(O)c([O-])c2Cl)nnc1C(F)(F)F ZINC001193209187 1282381727 /nfs/dbraw/zinc/38/17/27/1282381727.db2.gz GNQXERMHSMFBAC-UHFFFAOYSA-N -1 1 336.657 2.151 20 10 EECDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCC[C@H](Oc2ncccn2)C1 ZINC001193232305 1282394298 /nfs/dbraw/zinc/39/42/98/1282394298.db2.gz HWUSOFFMVAWPHF-JTQLQIEISA-N -1 1 349.774 2.225 20 10 EECDMM O=C(COC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc([O-])c(O)c1 ZINC000783603623 1304308253 /nfs/dbraw/zinc/30/82/53/1304308253.db2.gz AYWMSEMNLJJEOP-UHFFFAOYSA-N -1 1 335.243 2.185 20 10 EECDMM COC(=O)C1(O)CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237087080 1305790925 /nfs/dbraw/zinc/79/09/25/1305790925.db2.gz UBEBDLYPSMJHLI-UHFFFAOYSA-N -1 1 334.199 2.199 20 10 EECDMM COC(=O)[C@@H]1COCCC12CN(Cc1cc(Cl)cc(F)c1[O-])C2 ZINC001237622121 1306010939 /nfs/dbraw/zinc/01/09/39/1306010939.db2.gz NBXOOVUDDWQBCE-LBPRGKRZSA-N -1 1 343.782 2.196 20 10 EECDMM CN(C)c1ccc(CN2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)cc1F ZINC000901524776 1331510807 /nfs/dbraw/zinc/51/08/07/1331510807.db2.gz NXDJBSQBHDYALX-CYBMUJFWSA-N -1 1 347.394 2.019 20 10 EECDMM C(=Cc1ccc(N2CCOCC2)cc1)c1nc(-c2nnn[n-]2)cs1 ZINC001588381540 1348898745 /nfs/dbraw/zinc/89/87/45/1348898745.db2.gz HEOZRXSNVJPOAG-ZZXKWVIFSA-N -1 1 340.412 2.330 20 10 EECDMM C(=Cc1ccc(N2CCOCC2)cc1)c1nc(-c2nn[n-]n2)cs1 ZINC001588381540 1348898747 /nfs/dbraw/zinc/89/87/47/1348898747.db2.gz HEOZRXSNVJPOAG-ZZXKWVIFSA-N -1 1 340.412 2.330 20 10 EECDMM O=C(c1[nH]c2ccccc2c1-c1nn[n-]n1)N1Cc2cccc(O)c2C1 ZINC001593315563 1349779093 /nfs/dbraw/zinc/77/90/93/1349779093.db2.gz NINOMVOAQAEVBH-UHFFFAOYSA-N -1 1 346.350 2.210 20 10 EECDMM O=C([O-])[C@H](C[C@@H]1CCCO1)[NH2+]Cc1cc(Br)ccc1[O-] ZINC001601640269 1350325668 /nfs/dbraw/zinc/32/56/68/1350325668.db2.gz BBCSIBRZLDVEEC-RYUDHWBXSA-N -1 1 344.205 2.267 20 10 EECDMM O=C([O-])c1ccc2c(c1)CCN(Cc1cc3c(cc1O)OCO3)C2 ZINC001602418132 1350514504 /nfs/dbraw/zinc/51/45/04/1350514504.db2.gz LIXNXLOKMLRSAT-UHFFFAOYSA-N -1 1 327.336 2.377 20 10 EECDMM CCOc1ccc(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)cc1 ZINC000920976784 770929161 /nfs/dbraw/zinc/92/91/61/770929161.db2.gz WSOVWKDKDDFHGQ-NTEUORMPSA-N -1 1 347.440 2.280 20 10 EECDMM O=C(C[C@H](O)c1cccc(F)c1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784363456 794814795 /nfs/dbraw/zinc/81/47/95/794814795.db2.gz AQJBEINDCURMAH-AWEZNQCLSA-N -1 1 334.299 2.087 20 10 EECDMM O=C(NCc1ccc(N2CCCC2=O)cc1)c1c(F)ccc(O)c1[O-] ZINC000789954837 808290466 /nfs/dbraw/zinc/29/04/66/808290466.db2.gz NKHVWHXTURWEOO-UHFFFAOYSA-N -1 1 344.342 2.294 20 10 EECDMM COC(=O)c1cc(NCC(=O)c2ccc([O-])c(O)c2)cc([N+](=O)[O-])c1 ZINC001170322657 809890252 /nfs/dbraw/zinc/89/02/52/809890252.db2.gz KOURFOYXZYRCQJ-UHFFFAOYSA-N -1 1 346.295 2.087 20 10 EECDMM COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])[C@@H](C(=O)[O-])C1 ZINC001598800698 996136643 /nfs/dbraw/zinc/13/66/43/996136643.db2.gz PWWKAWCVBFVFDW-PRHODGIISA-N -1 1 345.754 2.023 20 10 EECDMM COC[C@]1(C(=O)[O-])CCC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001599192464 997148280 /nfs/dbraw/zinc/14/82/80/997148280.db2.gz DKURWFLKRLUAJK-AWEZNQCLSA-N -1 1 344.751 2.019 20 10 EECDMM COC[C@]1(C(=O)[O-])CCC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001599192464 997148292 /nfs/dbraw/zinc/14/82/92/997148292.db2.gz DKURWFLKRLUAJK-AWEZNQCLSA-N -1 1 344.751 2.019 20 10 EECDMM CCOCCO[C@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000277438781 463915939 /nfs/dbraw/zinc/91/59/39/463915939.db2.gz FDQGAXDVTAEQCU-SNVBAGLBSA-N -1 1 346.221 2.213 20 10 EECDMM CC(=O)N1CCN(c2cccc(NC(=O)c3ccccc3[O-])c2)CC1 ZINC000187129597 464101425 /nfs/dbraw/zinc/10/14/25/464101425.db2.gz BZTJMVWIPJHZRK-UHFFFAOYSA-N -1 1 339.395 2.313 20 10 EECDMM Cc1cc(Br)cc(C[N@H+](C)[C@H]2CCN(C)C2=O)c1O ZINC000271742945 464371248 /nfs/dbraw/zinc/37/12/48/464371248.db2.gz AGCOUAZVCIQKLO-LBPRGKRZSA-N -1 1 327.222 2.126 20 10 EECDMM Cc1ccc(CN(C)Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)s1 ZINC000738283727 576277416 /nfs/dbraw/zinc/27/74/16/576277416.db2.gz XBNBCNKFURWRLR-UHFFFAOYSA-N -1 1 332.385 2.135 20 10 EECDMM Cc1cc([N-]S(=O)(=O)c2cccc3nonc32)cc2[nH]ncc21 ZINC000766330104 577517503 /nfs/dbraw/zinc/51/75/03/577517503.db2.gz RZDFQNJBKOUUJK-UHFFFAOYSA-N -1 1 329.341 2.208 20 10 EECDMM 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/nfs/dbraw/zinc/27/20/69/1318272069.db2.gz OJJVESOWOJZNMI-UHFFFAOYSA-N -1 1 336.303 2.486 20 10 EECDMM O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc([O-])c(F)c3F)cc2o1 ZINC001259383622 1319548804 /nfs/dbraw/zinc/54/88/04/1319548804.db2.gz KMYYEMBZGKMCPK-UHFFFAOYSA-N -1 1 342.279 2.318 20 10 EECDMM Cc1cc(=O)oc2c1ccc([O-])c2CN1CC[C@@](N)(C(F)(F)F)C1 ZINC001206228726 1323432378 /nfs/dbraw/zinc/43/23/78/1323432378.db2.gz BVVSRJNWGNNCBE-HNNXBMFYSA-N -1 1 342.317 2.273 20 10 EECDMM O=S(=O)(NCc1cccc(Cl)c1[O-])c1ccc2c(c1)CCO2 ZINC001309940609 1331648176 /nfs/dbraw/zinc/64/81/76/1331648176.db2.gz LKYODBALVCAQJQ-UHFFFAOYSA-N -1 1 339.800 2.459 20 10 EECDMM Cn1nc2ccccc2c1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC001321315609 1333072247 /nfs/dbraw/zinc/07/22/47/1333072247.db2.gz XEAUTAHANDENOH-UHFFFAOYSA-N -1 1 326.308 2.024 20 10 EECDMM Cc1cc(CNc2ccnc(-c3nn[n-]n3)n2)c(C)n1-c1ccccc1 ZINC001591970591 1349572097 /nfs/dbraw/zinc/57/20/97/1349572097.db2.gz LHAOTYJBOHJZKG-UHFFFAOYSA-N -1 1 346.398 2.098 20 10 EECDMM CC(=Cc1ccc(N(C)C)cc1)c1nc(C)c(-c2nn[n-]n2)c(=O)[nH]1 ZINC001602907174 1350604121 /nfs/dbraw/zinc/60/41/21/1350604121.db2.gz TXCQAPYFRVCKBL-KTKRTIGZSA-N -1 1 337.387 2.297 20 10 EECDMM Cc1cc(C[N@H+]2C[C@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)ccc1N(C)C ZINC001607640738 1351531459 /nfs/dbraw/zinc/53/14/59/1351531459.db2.gz VOVFTCNKKIJQHB-XAUUPUKJSA-N -1 1 346.427 2.058 20 10 EECDMM Nc1cc(NCC(=O)c2ccc([O-])c(O)c2)ncc1C(F)(F)F ZINC001170316248 809887413 /nfs/dbraw/zinc/88/74/13/809887413.db2.gz DNJUFDVSBSERBG-UHFFFAOYSA-N -1 1 327.262 2.389 20 10 EECDMM COC(=O)c1cc2c(NCC(=O)c3ccc([O-])c(O)c3)[nH]ccc-2n1 ZINC001170322670 809890210 /nfs/dbraw/zinc/89/02/10/809890210.db2.gz LDRICUNKJBFCDF-UHFFFAOYSA-N -1 1 341.323 2.056 20 10 EECDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1CCCOC1 ZINC000277587002 463921033 /nfs/dbraw/zinc/92/10/33/463921033.db2.gz SXGCDMGQJCHEGD-SNVBAGLBSA-N -1 1 343.221 2.381 20 10 EECDMM C[C@](O)(CC(=O)NCc1cccc(Br)c1[O-])C1CC1 ZINC000277590522 463921075 /nfs/dbraw/zinc/92/10/75/463921075.db2.gz SJPLTNHFYJKOTB-AWEZNQCLSA-N -1 1 328.206 2.322 20 10 EECDMM O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1cccc2cccnc21 ZINC000776434978 577459869 /nfs/dbraw/zinc/45/98/69/577459869.db2.gz UPXDYBXETQBJSD-UHFFFAOYSA-N -1 1 344.348 2.439 20 10 EECDMM COc1ncccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765752966 577506680 /nfs/dbraw/zinc/50/66/80/577506680.db2.gz KQAOWWYXDCOMOM-UHFFFAOYSA-N -1 1 337.173 2.488 20 10 EECDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1[O-] ZINC000872784766 1198384580 /nfs/dbraw/zinc/38/45/80/1198384580.db2.gz FPDIBRUFPXDGFG-GASCZTMLSA-N -1 1 339.391 2.407 20 10 EECDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1[O-] ZINC000872784766 1198384582 /nfs/dbraw/zinc/38/45/82/1198384582.db2.gz FPDIBRUFPXDGFG-GASCZTMLSA-N -1 1 339.391 2.407 20 10 EECDMM CO[C@@]1(C(F)(F)F)CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000829713998 1202117049 /nfs/dbraw/zinc/11/70/49/1202117049.db2.gz QRBABRUXPYFCQF-ZDUSSCGKSA-N -1 1 337.269 2.420 20 10 EECDMM Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001231454484 1303803114 /nfs/dbraw/zinc/80/31/14/1303803114.db2.gz YHFVTFCRNUZXLS-OAHLLOKOSA-N -1 1 328.368 2.447 20 10 EECDMM Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001231454484 1303803118 /nfs/dbraw/zinc/80/31/18/1303803118.db2.gz YHFVTFCRNUZXLS-OAHLLOKOSA-N -1 1 328.368 2.447 20 10 EECDMM Cc1nn(C)c(C)c1C[C@H](C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783861013 1304369016 /nfs/dbraw/zinc/36/90/16/1304369016.db2.gz IWCDTEVEQSONAI-JTQLQIEISA-N -1 1 346.383 2.053 20 10 EECDMM C[C@@H](CN(C)C(=O)c1c(F)ccc(O)c1[O-])C(=O)OC(C)(C)C ZINC000839798886 1315246120 /nfs/dbraw/zinc/24/61/20/1315246120.db2.gz YALFCPCVIPZNRH-VIFPVBQESA-N -1 1 327.352 2.287 20 10 EECDMM Cc1cc(C)c(NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)cn1 ZINC001155221571 1317506947 /nfs/dbraw/zinc/50/69/47/1317506947.db2.gz DUAGOPSSQUOYJG-UHFFFAOYSA-N -1 1 326.308 2.468 20 10 EECDMM O=C([O-])[C@@H](C[C@H]1CCCO1)[NH2+]Cc1ccc(Br)cc1[O-] ZINC001601643973 1350327004 /nfs/dbraw/zinc/32/70/04/1350327004.db2.gz YTIUGDFOWIWXDM-VXGBXAGGSA-N -1 1 344.205 2.267 20 10 EECDMM [O-]c1c(F)ccc(F)c1CN1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001139684768 1371716812 /nfs/dbraw/zinc/71/68/12/1371716812.db2.gz PUJKJRIOCNVNQV-APHBMKBZSA-N -1 1 325.355 2.296 20 10 EECDMM Cc1nc(NCc2ccc(N3CCCC3)cc2)cc(-c2nnn[n-]2)n1 ZINC001592395812 1404027175 /nfs/dbraw/zinc/02/71/75/1404027175.db2.gz QDWOBVMUGCDVDZ-UHFFFAOYSA-N -1 1 336.403 2.177 20 10 EECDMM Cc1nc(NCc2ccc(N3CCCC3)cc2)cc(-c2nn[n-]n2)n1 ZINC001592395812 1404027185 /nfs/dbraw/zinc/02/71/85/1404027185.db2.gz QDWOBVMUGCDVDZ-UHFFFAOYSA-N -1 1 336.403 2.177 20 10 EECDMM Cc1nc(NCc2c(O)ccc3c2CCCC3)cc(-c2nnn[n-]2)n1 ZINC001606077657 1404763390 /nfs/dbraw/zinc/76/33/90/1404763390.db2.gz ZZJRQAOZMJAXQZ-UHFFFAOYSA-N -1 1 337.387 2.162 20 10 EECDMM Cc1nc(NCc2c(O)ccc3c2CCCC3)cc(-c2nn[n-]n2)n1 ZINC001606077657 1404763394 /nfs/dbraw/zinc/76/33/94/1404763394.db2.gz ZZJRQAOZMJAXQZ-UHFFFAOYSA-N -1 1 337.387 2.162 20 10 EECDMM Cc1nnc(CC(=O)NCc2cccc(Br)c2[O-])s1 ZINC000834476347 758088045 /nfs/dbraw/zinc/08/80/45/758088045.db2.gz VZAMQPOCMGEVPH-UHFFFAOYSA-N -1 1 342.218 2.174 20 10 EECDMM CC(C)CN1C(=O)C(=CN[C@@H]2CCC[C@H](C)[C@@H]2C)C(=O)[N-]C1=S ZINC000920975929 770928806 /nfs/dbraw/zinc/92/88/06/770928806.db2.gz DCFNFMKWQOAVSP-OBVFRDKPSA-N -1 1 337.489 2.184 20 10 EECDMM NS(=O)(=O)c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816565521 784131849 /nfs/dbraw/zinc/13/18/49/784131849.db2.gz RKOWVRSQMKKJTB-UHFFFAOYSA-N -1 1 330.768 2.444 20 10 EECDMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc(O)cc3C)cc12 ZINC000151876564 794251593 /nfs/dbraw/zinc/25/15/93/794251593.db2.gz DQMTUOQZQANGTA-UHFFFAOYSA-N -1 1 332.385 2.092 20 10 EECDMM Cc1cc(C(=O)COC(=O)c2cn[n-]n2)c(C)n1-c1cccc(F)c1 ZINC000805602816 811365960 /nfs/dbraw/zinc/36/59/60/811365960.db2.gz BQECXKQXEASPDO-UHFFFAOYSA-N -1 1 342.330 2.391 20 10 EECDMM CCOC(=O)[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@H](C)CC ZINC000278412081 463965058 /nfs/dbraw/zinc/96/50/58/463965058.db2.gz QCFDYMBTLSZEDW-ZWNOBZJWSA-N -1 1 340.376 2.376 20 10 EECDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC(c2nncn2C2CC2)CC1 ZINC000276505706 464958369 /nfs/dbraw/zinc/95/83/69/464958369.db2.gz CXERJKGGUSQCOR-UHFFFAOYSA-N -1 1 346.362 2.183 20 10 EECDMM CN(CCCNC(=O)c1c(F)ccc(O)c1[O-])C(=O)OC(C)(C)C ZINC000276517528 464963892 /nfs/dbraw/zinc/96/38/92/464963892.db2.gz FZVGZERZXHAOSJ-UHFFFAOYSA-N -1 1 342.367 2.224 20 10 EECDMM CC(=O)N(c1nc(C=C2SC(=S)[N-]C2=O)cs1)C1CC1 ZINC000734303023 577288019 /nfs/dbraw/zinc/28/80/19/577288019.db2.gz AJAYRAFAAZOSHR-RUDMXATFSA-N -1 1 325.440 2.147 20 10 EECDMM COCCOc1ncccc1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890757493 675592236 /nfs/dbraw/zinc/59/22/36/675592236.db2.gz FSMLKURRNBWGNW-UHFFFAOYSA-N -1 1 336.775 2.396 20 10 EECDMM Cn1nc2c(c1C(=O)NCc1cccc(Cl)c1[O-])CSCC2 ZINC000890763175 675601338 /nfs/dbraw/zinc/60/13/38/675601338.db2.gz PXGQUVJFCSPKGW-UHFFFAOYSA-N -1 1 337.832 2.498 20 10 EECDMM COc1cccc(C[N-]S(=O)(=O)c2c(F)cccc2F)c1O ZINC000161109358 677840398 /nfs/dbraw/zinc/84/03/98/677840398.db2.gz BPLJCOSPEHOZMA-UHFFFAOYSA-N -1 1 329.324 2.158 20 10 EECDMM Cc1cc(Br)c([O-])c(CN2CC(=O)N(C)C[C@@H]2C)c1 ZINC000783733202 682757748 /nfs/dbraw/zinc/75/77/48/682757748.db2.gz KUSHZSQUVPIGGT-JTQLQIEISA-N -1 1 327.222 2.126 20 10 EECDMM CO[C@@H](C)[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000811958222 1200431210 /nfs/dbraw/zinc/43/12/10/1200431210.db2.gz SIAJCMBNEATSMY-BDAKNGLRSA-N -1 1 331.210 2.377 20 10 EECDMM Cc1cc(F)ccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093902940 1214972325 /nfs/dbraw/zinc/97/23/25/1214972325.db2.gz OWQNXTSDNIYOBB-UHFFFAOYSA-N -1 1 338.360 2.464 20 10 EECDMM Nc1ncc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cn1 ZINC001212964333 1215159697 /nfs/dbraw/zinc/15/96/97/1215159697.db2.gz PQHGEDRSVXOFPZ-UHFFFAOYSA-N -1 1 332.319 2.283 20 10 EECDMM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(F)c2C)ccc1O ZINC001185824788 1278809248 /nfs/dbraw/zinc/80/92/48/1278809248.db2.gz OINNTRWRGAFMKN-UHFFFAOYSA-N -1 1 339.344 2.427 20 10 EECDMM COc1ccccc1[C@H](C)C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001187690349 1279621031 /nfs/dbraw/zinc/62/10/31/1279621031.db2.gz TZWFROLQJBDCCR-NSHDSACASA-N -1 1 329.352 2.209 20 10 EECDMM COc1ccccc1NC(=S)NCC(=O)c1ccc([O-])c(O)c1 ZINC001196272556 1283981628 /nfs/dbraw/zinc/98/16/28/1283981628.db2.gz USIDLOXBYNFQOO-UHFFFAOYSA-N -1 1 332.381 2.276 20 10 EECDMM [O-]c1c(CN2C[C@@H]3COC[C@H](C2)N3C2CCCC2)ccc(F)c1F ZINC001276856754 1299954570 /nfs/dbraw/zinc/95/45/70/1299954570.db2.gz HFKQAYDAERFYAO-GASCZTMLSA-N -1 1 338.398 2.498 20 10 EECDMM CC(C)(C)NC(=O)[C@H]1CCC2(CN(Cc3c([O-])cccc3F)C2)O1 ZINC001277484304 1303612256 /nfs/dbraw/zinc/61/22/56/1303612256.db2.gz MINYTJVTDCLNND-OAHLLOKOSA-N -1 1 336.407 2.179 20 10 EECDMM O=C(c1noc2c1CN(Cc1c([O-])cccc1F)CC2)N1CC=CC1 ZINC001277491147 1303653195 /nfs/dbraw/zinc/65/31/95/1303653195.db2.gz CYOWFFXPLWAECL-UHFFFAOYSA-N -1 1 343.358 2.090 20 10 EECDMM CC(=O)c1cc(O)c([O-])cc1OC1CCN(c2ncccn2)CC1 ZINC001234473595 1304936184 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[O-]c1c(I)cccc1CN1C[C@@H](F)[C@@H](F)C1 ZINC001237775263 1306084021 /nfs/dbraw/zinc/08/40/21/1306084021.db2.gz FCSGCKZGLUSDCV-DTORHVGOSA-N -1 1 339.123 2.489 20 10 EECDMM [O-]c1cc(F)cc(F)c1CN1CCn2cc(CN3CCCC3)nc2C1 ZINC001140581364 1314909528 /nfs/dbraw/zinc/90/95/28/1314909528.db2.gz PWVBFEVZROAISM-UHFFFAOYSA-N -1 1 348.397 2.479 20 10 EECDMM COC(C)(C)[C@@H]1CCCN1C(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155226542 1317509180 /nfs/dbraw/zinc/50/91/80/1317509180.db2.gz UQIWDGLKPZLDLN-HNNXBMFYSA-N -1 1 347.367 2.234 20 10 EECDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)ccc1O ZINC001259176615 1319468474 /nfs/dbraw/zinc/46/84/74/1319468474.db2.gz CKHLVQCFRBQQPO-UHFFFAOYSA-N -1 1 349.364 2.182 20 10 EECDMM COc1ccc2c(c1)ncnc2NCC(=O)c1ccc([O-])c(O)c1 ZINC001159276116 1319713931 /nfs/dbraw/zinc/71/39/31/1319713931.db2.gz FGAKZNSHVMKZPI-UHFFFAOYSA-N -1 1 325.324 2.344 20 10 EECDMM CCOC(=O)c1cc(C)cc(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001159277772 1319714760 /nfs/dbraw/zinc/71/47/60/1319714760.db2.gz 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CCc1nc(NC(=O)c2c(F)ccc(O)c2O)sc1C(=O)[O-] ZINC001597681347 988812539 /nfs/dbraw/zinc/81/25/39/988812539.db2.gz AMOMIAKNENRBML-UHFFFAOYSA-N -1 1 326.305 2.206 20 10 EECDMM Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001520460497 1119167098 /nfs/dbraw/zinc/16/70/98/1119167098.db2.gz NSCMVIJBLGDZRO-LBPRGKRZSA-N -1 1 342.428 2.298 20 10 EECDMM O=C(c1cncc([O-])c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000117976055 462819153 /nfs/dbraw/zinc/81/91/53/462819153.db2.gz UBWVGKXYZVMJGK-MRXNPFEDSA-N -1 1 328.368 2.314 20 10 EECDMM COc1c([O-])c(CN[C@@H](C)C(=O)OC2CCCC2)ccc1[N+](=O)[O-] ZINC000278423100 463964930 /nfs/dbraw/zinc/96/49/30/463964930.db2.gz RUVCYRYXZRKXKZ-JTQLQIEISA-N -1 1 338.360 2.273 20 10 EECDMM NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cc(Br)ccc1O ZINC000368962735 466708199 /nfs/dbraw/zinc/70/81/99/466708199.db2.gz CURLTWJFVIGODF-IUPBHXKESA-N -1 1 339.233 2.241 20 10 EECDMM Cn1cnc2c1ncnc2NCc1cccc(Br)c1[O-] ZINC000764935389 577491230 /nfs/dbraw/zinc/49/12/30/577491230.db2.gz SVLDIOQVKQLOLR-UHFFFAOYSA-N -1 1 334.177 2.444 20 10 EECDMM Cc1nnsc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765734965 577506248 /nfs/dbraw/zinc/50/62/48/577506248.db2.gz AOEZRNLXSLFRNH-UHFFFAOYSA-N -1 1 328.191 2.245 20 10 EECDMM CC(=O)NCC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H](C)C(=O)[O-] ZINC000819770142 597704029 /nfs/dbraw/zinc/70/40/29/597704029.db2.gz ICPZLPACVBZLQZ-MRVPVSSYSA-N -1 1 349.214 2.110 20 10 EECDMM C[C@H]1Cc2ccccc2N1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093911349 1214974316 /nfs/dbraw/zinc/97/43/16/1214974316.db2.gz ZHUHGVIYMKPHNV-NSHDSACASA-N -1 1 346.408 2.355 20 10 EECDMM COc1cccc(C[N@H+]2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)c1O ZINC000827850710 1248826860 /nfs/dbraw/zinc/82/68/60/1248826860.db2.gz PXOCEJNDDNRAIB-PWSUYJOCSA-N -1 1 346.349 2.290 20 10 EECDMM O=C(Nc1ccc2c(c1)C(=O)NCCO2)c1ccc(O)c([O-])c1Cl ZINC001193210340 1282381823 /nfs/dbraw/zinc/38/18/23/1282381823.db2.gz XTENJEVPZSSDRE-UHFFFAOYSA-N -1 1 348.742 2.126 20 10 EECDMM 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CC(=O)c1cc(Cl)cc(CN2CC(=O)N[C@H]3CCCC[C@@H]32)c1[O-] ZINC000133299274 1202188635 /nfs/dbraw/zinc/18/86/35/1202188635.db2.gz AZKDEYNSCBZUQX-GJZGRUSLSA-N -1 1 336.819 2.491 20 10 EECDMM COc1ncc(NCc2cc(Cl)cc(F)c2[O-])cc1C(N)=O ZINC000802648653 1237918188 /nfs/dbraw/zinc/91/81/88/1237918188.db2.gz YFIKNRGHTODMMC-UHFFFAOYSA-N -1 1 325.727 2.299 20 10 EECDMM C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000827208037 1250740084 /nfs/dbraw/zinc/74/00/84/1250740084.db2.gz FSYDJWBSINRCLH-VIFPVBQESA-N -1 1 342.367 2.128 20 10 EECDMM CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(O)c([O-])c2Cl)C1 ZINC001193232217 1282391682 /nfs/dbraw/zinc/39/16/82/1282391682.db2.gz FXXHJMKORYUUBD-UHFFFAOYSA-N -1 1 342.779 2.402 20 10 EECDMM Cc1cc(Br)c([O-])c(CN2CCCC[C@@H]2C(N)=O)c1 ZINC000781895262 1303891571 /nfs/dbraw/zinc/89/15/71/1303891571.db2.gz RCWNESKSRYSUQA-GFCCVEGCSA-N -1 1 327.222 2.303 20 10 EECDMM O=C(COC(=O)c1ccnn1C1CCCC1)c1ccc([O-])c(O)c1 ZINC000784199192 1304441706 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IKFFECPLXGWMPB-MWLCHTKSSA-N -1 1 326.349 2.288 20 10 EECDMM CCNC(=O)N1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000176993138 464900520 /nfs/dbraw/zinc/90/05/20/464900520.db2.gz XVWMAPIIQXYZRM-UHFFFAOYSA-N -1 1 339.823 2.095 20 10 EECDMM O=C(NC[C@@H]1COC2(CCCCC2)O1)c1c(F)ccc(O)c1[O-] ZINC000276553005 464977059 /nfs/dbraw/zinc/97/70/59/464977059.db2.gz HYMWJVQCGVGPOJ-SNVBAGLBSA-N -1 1 325.336 2.043 20 10 EECDMM CC(=O)c1cc(Cl)cc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1[O-] ZINC000372751772 466572152 /nfs/dbraw/zinc/57/21/52/466572152.db2.gz QHVSDNMORPLVKH-VZJVUDMVSA-N -1 1 336.819 2.334 20 10 EECDMM Cc1n[nH]cc1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000765442202 577501093 /nfs/dbraw/zinc/50/10/93/577501093.db2.gz AIGYXERCOALHEM-UHFFFAOYSA-N -1 1 339.193 2.186 20 10 EECDMM CC(=O)c1cc(O)ccc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000766047770 577511745 /nfs/dbraw/zinc/51/17/45/577511745.db2.gz UBMKAGQBXHYQHJ-UHFFFAOYSA-N -1 1 341.366 2.155 20 10 EECDMM O=C(NCc1cccc(Cl)c1[O-])[C@]1(C2CCCC2)CCNC1=O ZINC000890762574 675600496 /nfs/dbraw/zinc/60/04/96/675600496.db2.gz GLMHSIREMYRQIQ-KRWDZBQOSA-N -1 1 336.819 2.358 20 10 EECDMM Cc1cc(Br)c([O-])c(CN2CC(N3CCCC3=O)C2)c1 ZINC000897784189 691781646 /nfs/dbraw/zinc/78/16/46/691781646.db2.gz QSMPJFARMQHAQU-UHFFFAOYSA-N -1 1 339.233 2.270 20 10 EECDMM CN(Cc1cc(Cl)cc(Br)c1[O-])[C@H]1CCN(C)C1=O ZINC000708075835 1178326794 /nfs/dbraw/zinc/32/67/94/1178326794.db2.gz PPILCYTXLWSODS-NSHDSACASA-N -1 1 347.640 2.471 20 10 EECDMM CC(C)c1nnc2n1CCN(C(=O)c1c(F)ccc(O)c1[O-])[C@H]2C ZINC000900676758 1234643914 /nfs/dbraw/zinc/64/39/14/1234643914.db2.gz HXJCKFQVMQDBBJ-VIFPVBQESA-N -1 1 334.351 2.169 20 10 EECDMM O=S(=O)(Nc1ccc([O-])c(F)c1F)c1ccc2nsnc2c1 ZINC001186261857 1279015501 /nfs/dbraw/zinc/01/55/01/1279015501.db2.gz YFGOZGWKKWOHHY-UHFFFAOYSA-N -1 1 343.336 2.476 20 10 EECDMM O=C(NC[C@H](CO)Cc1ccccc1)c1ccc(O)c([O-])c1Cl ZINC001193236716 1282394999 /nfs/dbraw/zinc/39/49/99/1282394999.db2.gz OJTZFHMRPQVMJE-GFCCVEGCSA-N -1 1 335.787 2.332 20 10 EECDMM O=C(NCc1ccc(-n2cccn2)nc1)c1ccc(O)c([O-])c1Cl ZINC001193246967 1282400938 /nfs/dbraw/zinc/40/09/38/1282400938.db2.gz FUKQMIUJDUYQAS-UHFFFAOYSA-N -1 1 344.758 2.262 20 10 EECDMM COc1ccc(CNC(=O)c2ccc(O)c([O-])c2Cl)c(OC)n1 ZINC001193247167 1282401191 /nfs/dbraw/zinc/40/11/91/1282401191.db2.gz NKDRYLCXSGTMQG-UHFFFAOYSA-N -1 1 338.747 2.093 20 10 EECDMM O=S(=O)(Nc1c(F)cc([O-])cc1F)c1cccc2nccnc21 ZINC001194985332 1283393550 /nfs/dbraw/zinc/39/35/50/1283393550.db2.gz BPTLGRXBXYTFTK-UHFFFAOYSA-N -1 1 337.307 2.414 20 10 EECDMM COc1c([O-])c(C[N@H+](CC(=O)[O-])CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000854244239 1292684939 /nfs/dbraw/zinc/68/49/39/1292684939.db2.gz VZOZXLCEUYNGHZ-UHFFFAOYSA-N -1 1 326.349 2.242 20 10 EECDMM COc1c([O-])c(C[N@@H+](CC(=O)[O-])CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000854244239 1292684957 /nfs/dbraw/zinc/68/49/57/1292684957.db2.gz VZOZXLCEUYNGHZ-UHFFFAOYSA-N -1 1 326.349 2.242 20 10 EECDMM COc1ccc(C[N@H+]2CCC[C@@]3(CN(C)CCO3)C2)c([O-])c1Cl ZINC001276806886 1298100497 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COC(=O)C[C@H]1COCCN1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233419225 1304461913 /nfs/dbraw/zinc/46/19/13/1304461913.db2.gz ODKMSLHVKWYBNZ-NSHDSACASA-N -1 1 333.306 2.175 20 10 EECDMM O=C(C[C@@H]1CSCCS1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784346344 1304468888 /nfs/dbraw/zinc/46/88/88/1304468888.db2.gz FGXLPWVPRQQCAG-SNVBAGLBSA-N -1 1 328.411 2.062 20 10 EECDMM O=S(=O)(Nc1ccc([O-])c(F)c1F)c1ccc2c(c1)CCO2 ZINC001259356266 1319536748 /nfs/dbraw/zinc/53/67/48/1319536748.db2.gz PRFSTXDUUJCBDS-UHFFFAOYSA-N -1 1 327.308 2.406 20 10 EECDMM Cc1ccc(C2=NO[C@@H](CNC(=O)c3c(F)ccc(O)c3[O-])C2)cc1 ZINC001306831470 1331489872 /nfs/dbraw/zinc/48/98/72/1331489872.db2.gz RPLYEWTYKJCCCY-GFCCVEGCSA-N -1 1 344.342 2.468 20 10 EECDMM Cc1nsc(N[C@H](C)Cc2ccc(O)c(O)c2)c1-c1nn[n-]n1 ZINC001592482685 1349636618 /nfs/dbraw/zinc/63/66/18/1349636618.db2.gz JAJBCKJLYIIDOK-SSDOTTSWSA-N -1 1 332.389 2.086 20 10 EECDMM CCN(CC)c1ccc(CN2CC[C@]3(CC(C(=O)[O-])=NO3)C2)cc1 ZINC001605434905 1351157743 /nfs/dbraw/zinc/15/77/43/1351157743.db2.gz IINSWPURCSLWBO-SFHVURJKSA-N -1 1 331.416 2.338 20 10 EECDMM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC001198692462 1368640486 /nfs/dbraw/zinc/64/04/86/1368640486.db2.gz AASCGIQJGLGDOC-UHFFFAOYSA-N -1 1 332.740 2.389 20 10 EECDMM Cn1nc(C(C)(C)C)cc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783063260 1371344891 /nfs/dbraw/zinc/34/48/91/1371344891.db2.gz SYIGYEDWENPLTB-UHFFFAOYSA-N -1 1 332.356 2.169 20 10 EECDMM CC(C)NC(=O)c1noc2c1CN(Cc1c([O-])cccc1F)CC2 ZINC001137835866 1372281041 /nfs/dbraw/zinc/28/10/41/1372281041.db2.gz QKAVJSOMMKELHG-UHFFFAOYSA-N -1 1 333.363 2.216 20 10 EECDMM O=S(=O)([N-]c1ccc(O)cc1F)c1cccc2nsnc21 ZINC000070333327 778974766 /nfs/dbraw/zinc/97/47/66/778974766.db2.gz VZTDLBYPTGOGHE-UHFFFAOYSA-N -1 1 325.346 2.337 20 10 EECDMM O=C(CNC(=O)[C@@H]1C[C@@H]1c1ccccc1F)c1ccc([O-])c(O)c1 ZINC001182290213 801100127 /nfs/dbraw/zinc/10/01/27/801100127.db2.gz JAFRHENTQIDMDL-CHWSQXEVSA-N -1 1 329.327 2.340 20 10 EECDMM O=C(Cn1ccc2c1cccc2F)NCC(=O)c1ccc([O-])c(O)c1 ZINC001182827337 801363868 /nfs/dbraw/zinc/36/38/68/801363868.db2.gz KHGXPEOCAWHHDB-UHFFFAOYSA-N -1 1 342.326 2.191 20 10 EECDMM Cc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])ccc1F ZINC000103202485 803741525 /nfs/dbraw/zinc/74/15/25/803741525.db2.gz WOEYAJFVMWMAON-UHFFFAOYSA-N -1 1 338.360 2.464 20 10 EECDMM CN(Cc1ccc(N2CCOCC2)cc1)Cc1cncc(C(=O)[O-])c1 ZINC001598519091 992656550 /nfs/dbraw/zinc/65/65/50/992656550.db2.gz IBLIUOWBACLVCV-UHFFFAOYSA-N -1 1 341.411 2.248 20 10 EECDMM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188302573 464248442 /nfs/dbraw/zinc/24/84/42/464248442.db2.gz NERCTKFAHQIQMM-UHFFFAOYSA-N -1 1 344.371 2.424 20 10 EECDMM CCCCCN1CC(=O)N[C@@H]1c1cc(O)cc(Br)c1[O-] ZINC000182316825 464626601 /nfs/dbraw/zinc/62/66/01/464626601.db2.gz AAVGAZXLQUNREL-AWEZNQCLSA-N -1 1 343.221 2.481 20 10 EECDMM Cc1c2ccccc2n(C)c1CNC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000352119684 465475766 /nfs/dbraw/zinc/47/57/66/465475766.db2.gz GGLPZSHURIPERF-UHFFFAOYSA-N -1 1 349.394 2.404 20 10 EECDMM COc1cc(C(=O)NCc2cccc(Br)c2[O-])on1 ZINC000765754974 577506643 /nfs/dbraw/zinc/50/66/43/577506643.db2.gz ZBVASADVEWIYFH-UHFFFAOYSA-N -1 1 327.134 2.081 20 10 EECDMM Cc1cc(O)ccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000770080883 577590179 /nfs/dbraw/zinc/59/01/79/577590179.db2.gz CBPHYAVNIVZVMV-UHFFFAOYSA-N -1 1 336.369 2.030 20 10 EECDMM C[C@](O)(C(=O)NCc1cccc(Br)c1[O-])C1CCC1 ZINC000813539679 1199086556 /nfs/dbraw/zinc/08/65/56/1199086556.db2.gz WMTGFGRLEPIZDR-CQSZACIVSA-N -1 1 328.206 2.322 20 10 EECDMM O=S(=O)([N-]c1ccc(O)c(F)c1)c1ccc2nsnc2c1 ZINC001186261042 1279016299 /nfs/dbraw/zinc/01/62/99/1279016299.db2.gz HYIINLFRONHRIK-UHFFFAOYSA-N -1 1 325.346 2.337 20 10 EECDMM O=C(Nc1ccc2[nH]c(=O)cnc2c1)c1ccc(O)c([O-])c1Cl ZINC001193230553 1282415254 /nfs/dbraw/zinc/41/52/54/1282415254.db2.gz UVQWBEUYBHYPBT-UHFFFAOYSA-N -1 1 331.715 2.240 20 10 EECDMM O=C([O-])[C@@]1([NH2+]Cc2c([O-])cccc2Br)CCSC1 ZINC000864510471 1296570296 /nfs/dbraw/zinc/57/02/96/1296570296.db2.gz BJFVYZHTQUMLNP-GFCCVEGCSA-N -1 1 332.219 2.205 20 10 EECDMM Cc1ccc(F)c(OCC(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000784202810 1304442827 /nfs/dbraw/zinc/44/28/27/1304442827.db2.gz YXUVSICKXNDGJT-UHFFFAOYSA-N -1 1 334.299 2.350 20 10 EECDMM O=S1(=O)CC[C@H](CF)C12CN(Cc1ccc(Cl)cc1[O-])C2 ZINC001140465227 1314892400 /nfs/dbraw/zinc/89/24/00/1314892400.db2.gz IYHWTDYIPICZMX-LLVKDONJSA-N -1 1 333.812 2.004 20 10 EECDMM O=C(c1cc2cc(O)c([O-])cc2oc1=O)N1CCCC(F)(F)CC1 ZINC001155221323 1317507146 /nfs/dbraw/zinc/50/71/46/1317507146.db2.gz BXPTZMNFWLGECG-UHFFFAOYSA-N -1 1 339.294 2.466 20 10 EECDMM O=S(=O)(Nc1c(F)cc([O-])cc1F)c1cccc2nsnc21 ZINC001260388703 1319879063 /nfs/dbraw/zinc/87/90/63/1319879063.db2.gz UXMMRLGEGCSCSG-UHFFFAOYSA-N -1 1 343.336 2.476 20 10 EECDMM O=C([O-])C1([C@]2(O)CCC[N@@H+](Cc3cc(F)c(F)cc3[O-])C2)CCC1 ZINC001608568242 1351717901 /nfs/dbraw/zinc/71/79/01/1351717901.db2.gz NRRVKWAVLXPSPI-KRWDZBQOSA-N -1 1 341.354 2.252 20 10 EECDMM O=C([O-])c1cn(C2CC[NH+](Cc3cc(Cl)ccc3[O-])CC2)nn1 ZINC001608961909 1351803626 /nfs/dbraw/zinc/80/36/26/1351803626.db2.gz FBFDDSOUOBYBKW-UHFFFAOYSA-N -1 1 336.779 2.172 20 10 EECDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cnc2c(cnn2C)c1 ZINC001326250427 1334052699 /nfs/dbraw/zinc/05/26/99/1334052699.db2.gz XRTAMJUQFKDWNE-UHFFFAOYSA-N -1 1 332.385 2.037 20 10 EECDMM Cc1nc([C@@H]2CCN(c3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])C2)n[nH]1 ZINC001610554540 1352243888 /nfs/dbraw/zinc/24/38/88/1352243888.db2.gz FWRJGLLXWLPMSG-OGOUPESXSA-N -1 1 343.343 2.113 20 10 EECDMM Cc1nnc([C@@H]2CCN(c3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])C2)[nH]1 ZINC001610554540 1352243889 /nfs/dbraw/zinc/24/38/89/1352243889.db2.gz FWRJGLLXWLPMSG-OGOUPESXSA-N -1 1 343.343 2.113 20 10 EECDMM C[C@H](Nc1cnn(CC(F)F)c1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589991658 1349097708 /nfs/dbraw/zinc/09/77/08/1349097708.db2.gz PAYQSWWBGSZBRE-QMMMGPOBSA-N -1 1 335.318 2.207 20 10 EECDMM O=C([O-])C[C@@H]1CSCC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001601968113 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-1 1 332.345 2.463 20 10 EECDMM O=C(NCc1cc(Cl)ccc1O)c1ccc(-c2nnn[n-]2)s1 ZINC001606816697 1351359980 /nfs/dbraw/zinc/35/99/80/1351359980.db2.gz PIVURBCLBYTRMY-UHFFFAOYSA-N -1 1 335.776 2.217 20 10 EECDMM O=C(NCc1cc(Cl)ccc1O)c1ccc(-c2nn[n-]n2)s1 ZINC001606816697 1351359981 /nfs/dbraw/zinc/35/99/81/1351359981.db2.gz PIVURBCLBYTRMY-UHFFFAOYSA-N -1 1 335.776 2.217 20 10 EECDMM C[C@H]1C(=O)CC[C@H](C(=O)OCC(=O)c2ccc([O-])c(O)c2)C1(C)C ZINC000784843371 1371449625 /nfs/dbraw/zinc/44/96/25/1371449625.db2.gz FASOHKJEXLUFRD-CMPLNLGQSA-N -1 1 334.368 2.465 20 10 EECDMM C[C@@H](Oc1cccc(F)c1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782696743 761678049 /nfs/dbraw/zinc/67/80/49/761678049.db2.gz MWQBFVUHDYODLZ-SNVBAGLBSA-N -1 1 334.299 2.430 20 10 EECDMM Cn1ncc(Br)c1CNCc1cc([N+](=O)[O-])ccc1[O-] ZINC000785445457 793956772 /nfs/dbraw/zinc/95/67/72/793956772.db2.gz FUWVEEUJCTULNU-UHFFFAOYSA-N -1 1 341.165 2.086 20 10 EECDMM O=C(NCCOc1ccc(F)c(F)c1)c1c(F)ccc(O)c1[O-] ZINC000789975448 808308238 /nfs/dbraw/zinc/30/82/38/808308238.db2.gz BVFVDYMQIDWHFB-UHFFFAOYSA-N -1 1 327.258 2.324 20 10 EECDMM O=C(NCc1cccc2c1OCCCO2)c1c(F)ccc(O)c1[O-] ZINC000789994477 808321317 /nfs/dbraw/zinc/32/13/17/808321317.db2.gz NHRKGDOVHIKLNW-UHFFFAOYSA-N -1 1 333.315 2.328 20 10 EECDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cccc2c1COC2=O ZINC000790416395 808679276 /nfs/dbraw/zinc/67/92/76/808679276.db2.gz WCGBUYYYWNFLHE-UHFFFAOYSA-N -1 1 333.365 2.426 20 10 EECDMM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1cc(Cl)c(F)cc1O ZINC001598756648 995727928 /nfs/dbraw/zinc/72/79/28/995727928.db2.gz HPUATWJGRFUZJL-PELKAZGASA-N -1 1 345.754 2.023 20 10 EECDMM COc1ccc(CN[C@@H](C)c2ncc(C(=O)[O-])s2)c(O)c1OC ZINC001599570823 998361268 /nfs/dbraw/zinc/36/12/68/998361268.db2.gz CTENXFZVNIXRMM-QMMMGPOBSA-N -1 1 338.385 2.415 20 10 EECDMM CC(=O)CSCC(=O)NCc1cccc(Br)c1[O-] ZINC000279294436 464085407 /nfs/dbraw/zinc/08/54/07/464085407.db2.gz KQZIKMMCJWBSML-UHFFFAOYSA-N -1 1 332.219 2.093 20 10 EECDMM COc1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c1O ZINC000280142023 464191720 /nfs/dbraw/zinc/19/17/20/464191720.db2.gz DCHTVJFLFOVVQP-ZBEGNZNMSA-N -1 1 327.808 2.434 20 10 EECDMM CCC(=O)N1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000092186944 528305994 /nfs/dbraw/zinc/30/59/94/528305994.db2.gz RDKMQEGFBJVGQH-UHFFFAOYSA-N -1 1 341.795 2.398 20 10 EECDMM Cc1nnc(C(=O)NCc2cccc(Br)c2[O-])s1 ZINC000766237273 577515621 /nfs/dbraw/zinc/51/56/21/577515621.db2.gz YCZFRKDHEHANON-UHFFFAOYSA-N -1 1 328.191 2.245 20 10 EECDMM O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc([O-])c(F)c1 ZINC000767322520 577534501 /nfs/dbraw/zinc/53/45/01/577534501.db2.gz ROERFVOCSYIBCG-UHFFFAOYSA-N -1 1 330.359 2.298 20 10 EECDMM COC[C@](C)(CC(=O)[O-])[NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000831579203 601490539 /nfs/dbraw/zinc/49/05/39/601490539.db2.gz XMENAUUHKIFYSZ-HNNXBMFYSA-N -1 1 329.780 2.218 20 10 EECDMM O=C(NCc1cccc(Cl)c1[O-])c1ccc(N2CCCC2)nn1 ZINC000890757221 675592019 /nfs/dbraw/zinc/59/20/19/675592019.db2.gz 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/nfs/dbraw/zinc/63/01/22/1305630122.db2.gz GDBJNHYUYOXBGX-LBPRGKRZSA-N -1 1 330.222 2.310 20 10 EECDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCN(c2ncncn2)CC1 ZINC001236805212 1305680941 /nfs/dbraw/zinc/68/09/41/1305680941.db2.gz XJROGZFVFTXERV-UHFFFAOYSA-N -1 1 340.214 2.206 20 10 EECDMM [O-]c1cc(Cl)ccc1CN1CCn2c(Br)nnc2C1 ZINC001140467616 1314892999 /nfs/dbraw/zinc/89/29/99/1314892999.db2.gz ZSGSMEUGUNAONB-UHFFFAOYSA-N -1 1 343.612 2.415 20 10 EECDMM [O-]c1cc(F)c(F)cc1CN1CCn2c(Br)nnc2C1 ZINC001142525027 1315650425 /nfs/dbraw/zinc/65/04/25/1315650425.db2.gz UIIQYVFZARRBFO-UHFFFAOYSA-N -1 1 345.147 2.040 20 10 EECDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c(F)c2)ccc1O ZINC001259478978 1319591589 /nfs/dbraw/zinc/59/15/89/1319591589.db2.gz GONWGJQOBFOBJG-UHFFFAOYSA-N -1 1 339.344 2.427 20 10 EECDMM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609225551 1351901449 /nfs/dbraw/zinc/90/14/49/1351901449.db2.gz OJTJGYCYSUDZFL-UHFFFAOYSA-N -1 1 340.387 2.188 20 10 EECDMM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609225551 1351901452 /nfs/dbraw/zinc/90/14/52/1351901452.db2.gz OJTJGYCYSUDZFL-UHFFFAOYSA-N -1 1 340.387 2.188 20 10 EECDMM COc1cc(C(=O)[O-])sc1S(=O)(=O)Nc1ccc(O)cc1F ZINC001610290079 1352200690 /nfs/dbraw/zinc/20/06/90/1352200690.db2.gz PJIKFOYXRJEHNW-UHFFFAOYSA-N -1 1 347.345 2.100 20 10 EECDMM COc1ccc(O)c([C@@H](C)NC(=O)c2ccsc2-c2nnn[n-]2)c1 ZINC001591619387 1349517161 /nfs/dbraw/zinc/51/71/61/1349517161.db2.gz YJYCYWSKMNKTMG-MRVPVSSYSA-N -1 1 345.384 2.133 20 10 EECDMM COc1ccc(O)c([C@@H](C)NC(=O)c2ccsc2-c2nn[n-]n2)c1 ZINC001591619387 1349517165 /nfs/dbraw/zinc/51/71/65/1349517165.db2.gz YJYCYWSKMNKTMG-MRVPVSSYSA-N -1 1 345.384 2.133 20 10 EECDMM CCOc1nccc(C)c1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784998539 758066443 /nfs/dbraw/zinc/06/64/43/758066443.db2.gz JMTGBRBNJJZFLN-UHFFFAOYSA-N -1 1 331.324 2.240 20 10 EECDMM CC(C)CN1C(=O)C(=CN[C@@H]2CCC[C@H](C)[C@@H]2C)C(=O)[N-]C1=S ZINC000920975924 770929023 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O=C(CNc1ccc(=O)n(CC(F)(F)F)c1)c1ccc([O-])c(O)c1 ZINC001170320994 809889661 /nfs/dbraw/zinc/88/96/61/809889661.db2.gz UJXRTSQUBQOMMR-UHFFFAOYSA-N -1 1 342.273 2.117 20 10 EECDMM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1cc(Cl)cc(F)c1O ZINC001598756037 995720181 /nfs/dbraw/zinc/72/01/81/995720181.db2.gz FUQQSRCLWHUEHE-PELKAZGASA-N -1 1 345.754 2.023 20 10 EECDMM CCC[C@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)c1nn[n-]n1 ZINC000136714180 463254671 /nfs/dbraw/zinc/25/46/71/463254671.db2.gz VMQLFTJBEHNPPA-AWEZNQCLSA-N -1 1 339.403 2.273 20 10 EECDMM COC[C@@H](NC(=O)NCc1cccc(Br)c1[O-])C1CC1 ZINC000277309964 463907405 /nfs/dbraw/zinc/90/74/05/463907405.db2.gz CSACWNJHIXODIJ-GFCCVEGCSA-N -1 1 343.221 2.379 20 10 EECDMM Cn1cc(NC(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765212298 577497350 /nfs/dbraw/zinc/49/73/50/577497350.db2.gz FANBQEXZKLXQFB-UHFFFAOYSA-N -1 1 325.166 2.210 20 10 EECDMM CCCn1cc(C(=O)NCc2cccc(Br)c2[O-])nn1 ZINC000765727503 577506210 /nfs/dbraw/zinc/50/62/10/577506210.db2.gz 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CNC(=O)CCCCC(=O)NCc1cccc(Br)c1[O-] ZINC000765747023 577506455 /nfs/dbraw/zinc/50/64/55/577506455.db2.gz JXGMHACXJMVSEK-UHFFFAOYSA-N -1 1 343.221 2.077 20 10 EECDMM [O-]c1c(Br)cccc1CNC(=S)NC[C@@H]1CCOC1 ZINC000765993007 577510841 /nfs/dbraw/zinc/51/08/41/577510841.db2.gz RBGQEOVHZDMVBN-VIFPVBQESA-N -1 1 345.262 2.155 20 10 EECDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1ccco1 ZINC000766199765 577514919 /nfs/dbraw/zinc/51/49/19/577514919.db2.gz HXXCGGBHPWLKJN-UHFFFAOYSA-N -1 1 332.175 2.226 20 10 EECDMM CN(C)C(=O)N1CCC(C(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890758220 675593151 /nfs/dbraw/zinc/59/31/51/675593151.db2.gz SFSREZFQHOXGRW-UHFFFAOYSA-N -1 1 339.823 2.055 20 10 EECDMM COCc1nc(NC2CCN(c3ccc(OC)cc3)CC2)cc(=O)[n-]1 ZINC000892270096 678490212 /nfs/dbraw/zinc/49/02/12/678490212.db2.gz VWHCXSHGSRGWMU-UHFFFAOYSA-N -1 1 344.415 2.418 20 10 EECDMM O=C(N[C@@H]1CCN(c2ccccn2)C1)c1ccc(O)c([O-])c1Cl ZINC001193247049 1282401263 /nfs/dbraw/zinc/40/12/63/1282401263.db2.gz IZLCBWAGIVDWHB-SNVBAGLBSA-N -1 1 333.775 2.155 20 10 EECDMM O=C(Cc1ccccc1)N1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000778996655 1291746622 /nfs/dbraw/zinc/74/66/22/1291746622.db2.gz WHTASGOXPGYYAC-UHFFFAOYSA-N -1 1 328.387 2.418 20 10 EECDMM CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc(C(=O)[O-])ccc1O ZINC001231566135 1303849676 /nfs/dbraw/zinc/84/96/76/1303849676.db2.gz ROGMFLIETCVYKK-NOLJZWGESA-N -1 1 333.384 2.254 20 10 EECDMM CC(=O)N1CCN(Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000781901034 1303894319 /nfs/dbraw/zinc/89/43/19/1303894319.db2.gz PKRWKVRFLRDKDH-UHFFFAOYSA-N -1 1 327.222 2.127 20 10 EECDMM COC(=O)[C@@H]1CN(Cc2cc(Cl)c(Cl)cc2[O-])CCCO1 ZINC001236802324 1305680870 /nfs/dbraw/zinc/68/08/70/1305680870.db2.gz IYLRPGLMMONYRN-ZDUSSCGKSA-N -1 1 334.199 2.463 20 10 EECDMM Cn1ccc2c1nc(Cl)nc2NCC(=O)c1ccc([O-])c(O)c1 ZINC001159276895 1319713913 /nfs/dbraw/zinc/71/39/13/1319713913.db2.gz OVDGHHMAQJHPJG-UHFFFAOYSA-N -1 1 332.747 2.328 20 10 EECDMM O=C(CNc1nc(Cl)nc2ncccc21)c1ccc([O-])c(O)c1 ZINC001159276449 1319714395 /nfs/dbraw/zinc/71/43/95/1319714395.db2.gz IQVLOEFKBYSMLW-UHFFFAOYSA-N -1 1 330.731 2.384 20 10 EECDMM Nc1nc(Cl)c(N)c(NCc2cccc(Br)c2[O-])n1 ZINC001307109005 1331509405 /nfs/dbraw/zinc/50/94/05/1331509405.db2.gz YFENXWVMIVGFLS-UHFFFAOYSA-N -1 1 344.600 2.375 20 10 EECDMM O=C([O-])c1cn([C@H]2CCC[N@H+](Cc3c([O-])cccc3Cl)C2)nn1 ZINC001608959005 1351802983 /nfs/dbraw/zinc/80/29/83/1351802983.db2.gz HQLOCGDBASTVAM-JTQLQIEISA-N -1 1 336.779 2.172 20 10 EECDMM O=C([O-])c1cn([C@H]2CCC[N@@H+](Cc3c([O-])cccc3Cl)C2)nn1 ZINC001608959005 1351802986 /nfs/dbraw/zinc/80/29/86/1351802986.db2.gz HQLOCGDBASTVAM-JTQLQIEISA-N -1 1 336.779 2.172 20 10 EECDMM O=C([O-])C1=NO[C@]2(CCN(Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC001601746251 1350354174 /nfs/dbraw/zinc/35/41/74/1350354174.db2.gz FJYIEQPUQLBYBD-LJQANCHMSA-N -1 1 343.427 2.482 20 10 EECDMM O=C(COC(=O)c1cc(Br)c[nH]1)c1ccc([O-])c(O)c1 ZINC000782546694 1371312099 /nfs/dbraw/zinc/31/20/99/1371312099.db2.gz MPIFMYSPHXCINY-UHFFFAOYSA-N -1 1 340.129 2.228 20 10 EECDMM O=C(Cc1cc(F)c(F)cc1F)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784216899 1371383402 /nfs/dbraw/zinc/38/34/02/1371383402.db2.gz BJFYYMIVQJJXJZ-UHFFFAOYSA-N -1 1 340.253 2.484 20 10 EECDMM CC(C)(C)NC(=O)CO[C@H]1CCC[N@H+](Cc2c(O)cccc2F)C1 ZINC001137839115 1372283008 /nfs/dbraw/zinc/28/30/08/1372283008.db2.gz RORAQJAVMAVPBP-ZDUSSCGKSA-N -1 1 338.423 2.427 20 10 EECDMM COCC1(C(=O)[O-])CC[NH+](Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000846285989 790115903 /nfs/dbraw/zinc/11/59/03/790115903.db2.gz ITDNQEZBZMXLAI-UHFFFAOYSA-N -1 1 339.363 2.047 20 10 EECDMM COc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1[N+](=O)[O-] ZINC000916590101 797661898 /nfs/dbraw/zinc/66/18/98/797661898.db2.gz JGCSGSGXSNURPC-UHFFFAOYSA-N -1 1 347.279 2.054 20 10 EECDMM CC(C)(CC1CCOCC1)C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001185325975 802468638 /nfs/dbraw/zinc/46/86/38/802468638.db2.gz WPVUYIYCDUBXGZ-UHFFFAOYSA-N -1 1 335.400 2.240 20 10 EECDMM Cc1cc(CNCc2ccc(N3CCOCC3)cc2)oc1C(=O)[O-] ZINC000901941748 980642240 /nfs/dbraw/zinc/64/22/40/980642240.db2.gz CBSACRAHGOMULB-UHFFFAOYSA-N -1 1 330.384 2.413 20 10 EECDMM COC[C@@H](C)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000277300313 463907445 /nfs/dbraw/zinc/90/74/45/463907445.db2.gz BYXITXHSFRSCDW-VIFPVBQESA-N -1 1 331.210 2.236 20 10 EECDMM CC(C)(C)OC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000277475083 463917544 /nfs/dbraw/zinc/91/75/44/463917544.db2.gz KUOKKKWTACTODL-UHFFFAOYSA-N -1 1 330.178 2.113 20 10 EECDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC000189429170 464502261 /nfs/dbraw/zinc/50/22/61/464502261.db2.gz AYXPPYBCUVZZFS-UHFFFAOYSA-N -1 1 346.412 2.346 20 10 EECDMM CC(=O)c1cc(Cl)cc(CN2CCS(=O)(=O)C[C@@H](C)C2)c1[O-] ZINC000192112343 527206980 /nfs/dbraw/zinc/20/69/80/527206980.db2.gz MQHZXPLOLMTDRS-JTQLQIEISA-N -1 1 345.848 2.115 20 10 EECDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(N(C)C)cc1 ZINC000776269608 577456050 /nfs/dbraw/zinc/45/60/50/577456050.db2.gz LOVZCLHVPVNBSC-JTQLQIEISA-N -1 1 330.344 2.252 20 10 EECDMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc(O)cc3C)cc2oc1=O ZINC000767462313 577537495 /nfs/dbraw/zinc/53/74/95/577537495.db2.gz ZDRZVZDMOJFBAZ-UHFFFAOYSA-N -1 1 348.380 2.429 20 10 EECDMM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@@H+](C)Cc1ccccc1O ZINC000736216099 578188502 /nfs/dbraw/zinc/18/85/02/578188502.db2.gz UWSMJKHKSFDNPB-ZDUSSCGKSA-N -1 1 342.395 2.227 20 10 EECDMM CO[C@H]1CCn2cc(C(=O)NCc3cccc(Cl)c3[O-])nc2C1 ZINC000890763355 675602021 /nfs/dbraw/zinc/60/20/21/675602021.db2.gz TYNSURQYHNMUGK-NSHDSACASA-N -1 1 335.791 2.133 20 10 EECDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(Cc3ccccc3)no2)c1 ZINC000184837572 1192319361 /nfs/dbraw/zinc/31/93/61/1192319361.db2.gz VPPQKJOFNRVWIX-UHFFFAOYSA-N -1 1 345.380 2.405 20 10 EECDMM Cc1cc(C(F)(F)F)nn1CCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000900207585 1234091106 /nfs/dbraw/zinc/09/11/06/1234091106.db2.gz IBPIEUQRSRWNIX-UHFFFAOYSA-N -1 1 347.268 2.191 20 10 EECDMM CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900894484 1234968633 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CCOC(=O)[C@H]1C(=O)CCCN1Cc1c([O-])ccc(F)c1Cl ZINC001237125454 1305803152 /nfs/dbraw/zinc/80/31/52/1305803152.db2.gz BXEMRAHWOXKJIB-CQSZACIVSA-N -1 1 329.755 2.281 20 10 EECDMM O=C(NC1CCN(Cc2c(F)ccc(F)c2[O-])CC1)c1ccccn1 ZINC001139688033 1314759115 /nfs/dbraw/zinc/75/91/15/1314759115.db2.gz WZGAOOFXHDFLDJ-UHFFFAOYSA-N -1 1 347.365 2.460 20 10 EECDMM O=C(c1ccccn1)N1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142531317 1315652289 /nfs/dbraw/zinc/65/22/89/1315652289.db2.gz TWPZKKHPAUFCOP-UHFFFAOYSA-N -1 1 333.338 2.023 20 10 EECDMM CCc1ncsc1NC(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155224311 1317508110 /nfs/dbraw/zinc/50/81/10/1317508110.db2.gz PVCWYWVDBIJGNH-UHFFFAOYSA-N -1 1 332.337 2.475 20 10 EECDMM O=C(Nc1cc(Cl)cnc1O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155222706 1317508349 /nfs/dbraw/zinc/50/83/49/1317508349.db2.gz SQBHDKBUBSTJMH-UHFFFAOYSA-N -1 1 348.698 2.211 20 10 EECDMM O=c1cccc(CN2CCC23CN(Cc2c([O-])ccc(F)c2F)C3)[nH]1 ZINC001276471137 1322167480 /nfs/dbraw/zinc/16/74/80/1322167480.db2.gz BAMDSFJXTXAEAT-UHFFFAOYSA-N -1 1 347.365 2.231 20 10 EECDMM O=C(NCc1cccc(Cl)c1[O-])c1sccc1-c1nn[nH]n1 ZINC001593145127 1349741903 /nfs/dbraw/zinc/74/19/03/1349741903.db2.gz WKWFHMKXCCSCKN-UHFFFAOYSA-N -1 1 335.776 2.217 20 10 EECDMM Cn1c(C[NH2+]Cc2cc(Br)ccc2[O-])ccc1C(=O)[O-] ZINC001600915586 1350167416 /nfs/dbraw/zinc/16/74/16/1350167416.db2.gz BUVPOCINVJCSPH-UHFFFAOYSA-N -1 1 339.189 2.481 20 10 EECDMM Cc1nn(C(C)(C)C)cc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784677279 1371431462 /nfs/dbraw/zinc/43/14/62/1371431462.db2.gz YXTNXSUGNHJXPA-UHFFFAOYSA-N -1 1 332.356 2.397 20 10 EECDMM CC(C)CN1C(=O)C(=CNc2ccc(F)c(F)c2)C(=O)[N-]C1=S ZINC000060862054 790805750 /nfs/dbraw/zinc/80/57/50/790805750.db2.gz FNOWFOVFSHREAO-POHAHGRESA-N -1 1 339.367 2.160 20 10 EECDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@@H](n3ccnn3)C2)c1[O-] ZINC000822503286 787246570 /nfs/dbraw/zinc/24/65/70/787246570.db2.gz FFMAKWTWUOXSFG-GFCCVEGCSA-N -1 1 337.767 2.382 20 10 EECDMM O=C1c2ccccc2C(=O)c2cc(Nc3cnn(CCO)c3)c([O-])cc21 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2.243 20 10 EECDMM COc1ccc(O)c(CNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000737107064 578238346 /nfs/dbraw/zinc/23/83/46/578238346.db2.gz ZVWCTTVTXUNIKA-UHFFFAOYSA-N -1 1 349.354 2.136 20 10 EECDMM COc1ccc(O)c(CNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000737107064 578238347 /nfs/dbraw/zinc/23/83/47/578238347.db2.gz ZVWCTTVTXUNIKA-UHFFFAOYSA-N -1 1 349.354 2.136 20 10 EECDMM NC(=O)COc1cccc2c1CCCN2Cc1cc(F)cc(F)c1[O-] ZINC000894906584 683384851 /nfs/dbraw/zinc/38/48/51/683384851.db2.gz LSPHICXWKVLFHM-UHFFFAOYSA-N -1 1 348.349 2.487 20 10 EECDMM CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(O)cccc1F ZINC001273266136 1197889107 /nfs/dbraw/zinc/88/91/07/1197889107.db2.gz QPRSHHSNYDLYGT-HFBAOOFYSA-N -1 1 334.391 2.074 20 10 EECDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc([C@@H]3CCCS3)no2)c1 ZINC000274042286 1212127578 /nfs/dbraw/zinc/12/75/78/1212127578.db2.gz CMNKVDVMCNAUKH-NSHDSACASA-N -1 1 341.414 2.382 20 10 EECDMM CC(C)(C)C(=O)N1CCN(C(=O)c2ccc(O)c([O-])c2Cl)CC1 ZINC001193233317 1282393272 /nfs/dbraw/zinc/39/32/72/1282393272.db2.gz XMGBTHXYUKRPBK-UHFFFAOYSA-N -1 1 340.807 2.082 20 10 EECDMM O=C([O-])c1ccc(O)c(CN2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)c1 ZINC001231564486 1303849111 /nfs/dbraw/zinc/84/91/11/1303849111.db2.gz WBPLZUGSGCENEX-CGTJXYLNSA-N -1 1 347.411 2.249 20 10 EECDMM O=C(COC(=O)c1cc2ccccc2c(=O)[nH]1)c1ccc([O-])c(O)c1 ZINC000782096219 1303951738 /nfs/dbraw/zinc/95/17/38/1303951738.db2.gz ICVKVLXBSKMOGP-UHFFFAOYSA-N -1 1 339.303 2.391 20 10 EECDMM C[C@@H]1CC[N@H+](Cc2cccc(I)c2O)C[C@H]1O ZINC001237777678 1306084234 /nfs/dbraw/zinc/08/42/34/1306084234.db2.gz OZLXTPPNQGQJKC-BXKDBHETSA-N -1 1 347.196 2.200 20 10 EECDMM [O-]c1c(I)cccc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC001237775075 1306085352 /nfs/dbraw/zinc/08/53/52/1306085352.db2.gz CAYBEKCNKPHBOY-PHIMTYICSA-N -1 1 345.180 2.360 20 10 EECDMM Cc1cc(N(C)C)ccc1CNC(=O)c1c(C)[nH]c(=O)[n-]c1=S ZINC001123663575 1310668205 /nfs/dbraw/zinc/66/82/05/1310668205.db2.gz UKBZZDNKRLMAFE-UHFFFAOYSA-N -1 1 332.429 2.084 20 10 EECDMM COc1ccc(N2CCN(Cc3cc(F)c(F)cc3[O-])CC2)nc1 ZINC001142531496 1315653095 /nfs/dbraw/zinc/65/30/95/1315653095.db2.gz ZIDLSOZIGAPSBP-UHFFFAOYSA-N -1 1 335.354 2.396 20 10 EECDMM CN(C(=O)c1cc2cc(O)c([O-])cc2oc1=O)c1ccccc1N ZINC001155228812 1317513090 /nfs/dbraw/zinc/51/30/90/1317513090.db2.gz YJTRJZUWSLDKKB-UHFFFAOYSA-N -1 1 326.308 2.063 20 10 EECDMM COc1ccc(OC)c(S(=O)(=O)Nc2c(F)cc([O-])cc2F)c1 ZINC001254436201 1318075317 /nfs/dbraw/zinc/07/53/17/1318075317.db2.gz VBBUYYDHKASZEP-UHFFFAOYSA-N -1 1 345.323 2.488 20 10 EECDMM COc1ccc(S(=O)(=O)Nc2cc(F)c([O-])c(F)c2)cc1OC ZINC001257089504 1318938143 /nfs/dbraw/zinc/93/81/43/1318938143.db2.gz IODHEZBXHVFXQU-UHFFFAOYSA-N -1 1 345.323 2.488 20 10 EECDMM O=S(=O)(Nc1c(F)cc([O-])cc1F)c1ccc2c(c1)CCO2 ZINC001259357236 1319536254 /nfs/dbraw/zinc/53/62/54/1319536254.db2.gz RTFSYPKEOHIOIH-UHFFFAOYSA-N -1 1 327.308 2.406 20 10 EECDMM O=C(NCC(F)(F)F)N1CCC12CN(Cc1cccc(F)c1[O-])C2 ZINC001276539780 1324011659 /nfs/dbraw/zinc/01/16/59/1324011659.db2.gz YCICUTNJIZMPPH-UHFFFAOYSA-N -1 1 347.312 2.063 20 10 EECDMM O=C(COC(=O)c1ccc(OCC2CC2)nc1)c1ccc([O-])c(O)c1 ZINC001320906119 1332976361 /nfs/dbraw/zinc/97/63/61/1332976361.db2.gz RRGVCCYCIXTUPS-UHFFFAOYSA-N -1 1 343.335 2.321 20 10 EECDMM CO[C@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)[C@H](C(=O)[O-])C1 ZINC001606757275 1351351996 /nfs/dbraw/zinc/35/19/96/1351351996.db2.gz QCQAIVHMJZEBED-NHYWBVRUSA-N -1 1 328.359 2.095 20 10 EECDMM CCOc1nc(C)ccc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784939833 757150909 /nfs/dbraw/zinc/15/09/09/757150909.db2.gz XIUJUIGSETWVFB-UHFFFAOYSA-N -1 1 331.324 2.240 20 10 EECDMM CCN(CC)c1ccc(CN[C@@H](C(=O)[O-])c2ccnn2C)cc1F ZINC000819166360 785441648 /nfs/dbraw/zinc/44/16/48/785441648.db2.gz UWOWICXLBRWQID-MRXNPFEDSA-N -1 1 334.395 2.321 20 10 EECDMM Cn1c(Cl)ncc1S(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000808115876 812462421 /nfs/dbraw/zinc/46/24/21/812462421.db2.gz WSPYTARWTCRVNP-UHFFFAOYSA-N -1 1 340.163 2.372 20 10 EECDMM Cc1nn(C)c(C)c1S(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000288125875 464033451 /nfs/dbraw/zinc/03/34/51/464033451.db2.gz DGPNKJUPNNFENZ-UHFFFAOYSA-N -1 1 333.772 2.336 20 10 EECDMM C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cccc(O)c1O ZINC000189410138 464496690 /nfs/dbraw/zinc/49/66/90/464496690.db2.gz VMGPECNMNCIDLM-AWEZNQCLSA-N -1 1 326.396 2.444 20 10 EECDMM CC(C)(C)OC(=O)C1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000294821392 464616428 /nfs/dbraw/zinc/61/64/28/464616428.db2.gz GVINQFPRALOVGE-UHFFFAOYSA-N -1 1 339.363 2.431 20 10 EECDMM COc1ccc(O)c(CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c1 ZINC000769529458 577579928 /nfs/dbraw/zinc/57/99/28/577579928.db2.gz BPKGJFIAWBBBGF-UHFFFAOYSA-N -1 1 331.372 2.258 20 10 EECDMM C[C@H](C(=O)[O-])[N@@H+](C)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000817779238 597482275 /nfs/dbraw/zinc/48/22/75/597482275.db2.gz GJRSWWLPQUYAHS-LLVKDONJSA-N -1 1 329.352 2.234 20 10 EECDMM CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1cc(Br)ccc1O ZINC000833504642 604765270 /nfs/dbraw/zinc/76/52/70/604765270.db2.gz DSFAFUAMZNARNE-LBPRGKRZSA-N -1 1 346.221 2.465 20 10 EECDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1COCCN1C1CCCC1 ZINC000890759773 675595766 /nfs/dbraw/zinc/59/57/66/675595766.db2.gz QYGQSYVCEFZTNM-OAHLLOKOSA-N -1 1 338.835 2.305 20 10 EECDMM COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000827752344 1248693790 /nfs/dbraw/zinc/69/37/90/1248693790.db2.gz LSLNOZGISNAOLC-JTQLQIEISA-N -1 1 339.363 2.288 20 10 EECDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCOC[C@H]1c1cccnc1 ZINC001193233210 1282393317 /nfs/dbraw/zinc/39/33/17/1282393317.db2.gz WHLSECYJUKZXGK-LBPRGKRZSA-N -1 1 334.759 2.360 20 10 EECDMM CN(Cc1ccc(C(=O)[O-])cc1O)C1CN(C(=O)OC(C)(C)C)C1 ZINC001231455701 1303805054 /nfs/dbraw/zinc/80/50/54/1303805054.db2.gz UEGDFZPJAKBISY-UHFFFAOYSA-N -1 1 336.388 2.142 20 10 EECDMM COc1ccc(S(=O)(=O)Nc2ccc([O-])c(F)c2F)cc1OC ZINC001257083504 1318937120 /nfs/dbraw/zinc/93/71/20/1318937120.db2.gz QEIICWHRFYQJMJ-UHFFFAOYSA-N -1 1 345.323 2.488 20 10 EECDMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cc(F)c(O)c(F)c1 ZINC001258425928 1319257685 /nfs/dbraw/zinc/25/76/85/1319257685.db2.gz IFAPTGGZWAKJHT-UHFFFAOYSA-N -1 1 337.735 2.167 20 10 EECDMM COc1cc(NS(=O)(=O)c2cccc3nonc32)ccc1[S-] ZINC001260442159 1319890745 /nfs/dbraw/zinc/89/07/45/1319890745.db2.gz NUKYLXOJNISNPO-UHFFFAOYSA-N -1 1 337.382 2.321 20 10 EECDMM O=C([O-])c1cn([C@@H]2CCC[N@H+](Cc3c([O-])cccc3Cl)C2)nn1 ZINC001608959006 1351803109 /nfs/dbraw/zinc/80/31/09/1351803109.db2.gz HQLOCGDBASTVAM-SNVBAGLBSA-N -1 1 336.779 2.172 20 10 EECDMM O=C([O-])c1cn([C@@H]2CCC[N@@H+](Cc3c([O-])cccc3Cl)C2)nn1 ZINC001608959006 1351803110 /nfs/dbraw/zinc/80/31/10/1351803110.db2.gz HQLOCGDBASTVAM-SNVBAGLBSA-N -1 1 336.779 2.172 20 10 EECDMM CN(C)c1ccc(CN(C)Cc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001604810258 1351011761 /nfs/dbraw/zinc/01/17/61/1351011761.db2.gz KZNXEPHMPFVBES-UHFFFAOYSA-N -1 1 329.433 2.021 20 10 EECDMM CN(C)c1ccc(CN(C)Cc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001604810258 1351011766 /nfs/dbraw/zinc/01/17/66/1351011766.db2.gz KZNXEPHMPFVBES-UHFFFAOYSA-N -1 1 329.433 2.021 20 10 EECDMM O=C(CNC(=O)C1(CC2CCC2)CCOCC1)c1ccc([O-])c(O)c1 ZINC001185217385 802401696 /nfs/dbraw/zinc/40/16/96/802401696.db2.gz SILFIKJVQMPDIH-UHFFFAOYSA-N -1 1 347.411 2.384 20 10 EECDMM COc1ncnc2ccc(NCC(=O)c3ccc([O-])c(O)c3)cc21 ZINC001170314530 809886691 /nfs/dbraw/zinc/88/66/91/809886691.db2.gz CGMMAEIUOGWCKO-UHFFFAOYSA-N -1 1 325.324 2.344 20 10 EECDMM O=C(CNc1ncnc2cnc(Cl)cc21)c1ccc([O-])c(O)c1 ZINC001170317048 809887384 /nfs/dbraw/zinc/88/73/84/809887384.db2.gz WVEWVKJITLNKLU-UHFFFAOYSA-N -1 1 330.731 2.384 20 10 EECDMM CN(Cc1ccccc1O)[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000830860679 979022854 /nfs/dbraw/zinc/02/28/54/979022854.db2.gz UVTCZFXVDVYAND-ZDUSSCGKSA-N -1 1 346.408 2.389 20 10 EECDMM COc1cccc(CN2CCN(c3ccc(C(=O)[O-])s3)CC2)c1O ZINC001599673788 994860565 /nfs/dbraw/zinc/86/05/65/994860565.db2.gz VJAIUIRWWDVIDW-UHFFFAOYSA-N -1 1 348.424 2.483 20 10 EECDMM COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])[C@@H](C(=O)[O-])C1 ZINC001598800398 996134798 /nfs/dbraw/zinc/13/47/98/996134798.db2.gz OUSPSMUFIZEMTB-QPUJVOFHSA-N -1 1 345.754 2.023 20 10 EECDMM CCCN(Cc1ccccc1O)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000279241230 464075223 /nfs/dbraw/zinc/07/52/23/464075223.db2.gz HEAGJRKYKCWZNT-QNGOZBTKSA-N -1 1 339.399 2.492 20 10 EECDMM COc1ccnc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765751187 577506585 /nfs/dbraw/zinc/50/65/85/577506585.db2.gz RIPOVERSYUGHRW-UHFFFAOYSA-N -1 1 337.173 2.488 20 10 EECDMM Cc1cc(F)c(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1F ZINC000762616472 577704600 /nfs/dbraw/zinc/70/46/00/577704600.db2.gz DLNMIWJSTCHWQH-UHFFFAOYSA-N -1 1 343.307 2.478 20 10 EECDMM O=C([O-])[C@@H]1CC[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000740307424 578089720 /nfs/dbraw/zinc/08/97/20/578089720.db2.gz NCODNCWZYFSOQH-CYBMUJFWSA-N -1 1 341.363 2.235 20 10 EECDMM Cc1ccc(CNC(=O)NCc2cccc(Cl)c2[O-])c(=O)n1C ZINC000894480281 682919671 /nfs/dbraw/zinc/91/96/71/682919671.db2.gz YAAMWIWTDXWEKO-UHFFFAOYSA-N -1 1 335.791 2.052 20 10 EECDMM COc1cnc(C=Cc2ccc(N3CCC(O)CC3)cc2)[n-]c1=O ZINC000905076113 694528157 /nfs/dbraw/zinc/52/81/57/694528157.db2.gz AGQBERYMEJZIMS-QPJJXVBHSA-N -1 1 327.384 2.322 20 10 EECDMM O=C1COCC2(CN(Cc3cccc(F)c3[O-])C2)N1CC1CCCC1 ZINC001273304968 1198005901 /nfs/dbraw/zinc/00/59/01/1198005901.db2.gz WAZSKBFDOMHVFT-UHFFFAOYSA-N -1 1 348.418 2.135 20 10 EECDMM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccsc2)cc1 ZINC000795299437 1212466183 /nfs/dbraw/zinc/46/61/83/1212466183.db2.gz MMTCEWRNILDJHQ-UHFFFAOYSA-N -1 1 346.455 2.311 20 10 EECDMM O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)c1c(F)ccc(O)c1[O-] ZINC000827081710 1249817904 /nfs/dbraw/zinc/81/79/04/1249817904.db2.gz QZCSTGVBOBWYGK-RFAUZJTJSA-N -1 1 327.377 2.021 20 10 EECDMM O=C(CNC(=O)c1c[nH]nc1-c1ccccc1)c1ccc([O-])c(O)c1 ZINC001189698262 1280455673 /nfs/dbraw/zinc/45/56/73/1280455673.db2.gz UYTZQRKDDGHIDH-UHFFFAOYSA-N -1 1 337.335 2.101 20 10 EECDMM COC(=O)c1cc(C)cnc1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193209890 1282381808 /nfs/dbraw/zinc/38/18/08/1282381808.db2.gz PJXKIOVZJFHOLY-UHFFFAOYSA-N -1 1 336.731 2.494 20 10 EECDMM CO[C@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000858983585 1294284854 /nfs/dbraw/zinc/28/48/54/1294284854.db2.gz MYIKWLWOIHBUMC-MGCOHNPYSA-N -1 1 329.194 2.131 20 10 EECDMM C[C@@H](Oc1ccccc1F)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782698486 1304099002 /nfs/dbraw/zinc/09/90/02/1304099002.db2.gz YBQKCKPDYWDVFJ-SNVBAGLBSA-N -1 1 334.299 2.430 20 10 EECDMM COC(=O)c1cccc(S(=O)(=O)Nc2ccc([O-])c(F)c2F)c1 ZINC001260843489 1319989930 /nfs/dbraw/zinc/98/99/30/1319989930.db2.gz TXXJKUFIFLZXCO-UHFFFAOYSA-N -1 1 343.307 2.258 20 10 EECDMM CCOC(=O)c1cnc2n1CCN(Cc1c([O-])cccc1Cl)C2 ZINC001140342235 1314871274 /nfs/dbraw/zinc/87/12/74/1314871274.db2.gz ZJOOKAFUPGVNDK-UHFFFAOYSA-N -1 1 335.791 2.435 20 10 EECDMM O=C1c2ccccc2C(=O)c2c([N-]S(=O)(=O)C3CC3)cccc21 ZINC001259269453 1319504618 /nfs/dbraw/zinc/50/46/18/1319504618.db2.gz AAYTYWZNIFWSKL-UHFFFAOYSA-N -1 1 327.361 2.366 20 10 EECDMM O=S(=O)([N-]c1ccc(O)cc1Br)c1ccccn1 ZINC001259289425 1319512832 /nfs/dbraw/zinc/51/28/32/1319512832.db2.gz WQNJOWNGCDANKT-UHFFFAOYSA-N -1 1 329.175 2.351 20 10 EECDMM O=C(CNC(F)(F)c1cc(Cl)ncn1)c1ccc([O-])c(O)c1 ZINC001159273765 1319713111 /nfs/dbraw/zinc/71/31/11/1319713111.db2.gz ZYXSKBWXIILXJS-UHFFFAOYSA-N -1 1 329.690 2.063 20 10 EECDMM CC(=O)Nc1cccc(S(=O)(=O)Nc2ccc([O-])c(F)c2F)c1 ZINC001260809707 1319981635 /nfs/dbraw/zinc/98/16/35/1319981635.db2.gz NCGFBYAYADYALO-UHFFFAOYSA-N -1 1 342.323 2.430 20 10 EECDMM CC(=Cc1ccc2c(c1)CCN2C)c1nc(C)c(-c2nn[n-]n2)c(=O)[nH]1 ZINC001609060509 1351827825 /nfs/dbraw/zinc/82/78/25/1351827825.db2.gz OQSYUACEHCPABN-CSKARUKUSA-N -1 1 349.398 2.224 20 10 EECDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001609467458 1351988645 /nfs/dbraw/zinc/98/86/45/1351988645.db2.gz HAQNVONDIFMTSR-SNVBAGLBSA-N -1 1 340.387 2.325 20 10 EECDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001609467458 1351988648 /nfs/dbraw/zinc/98/86/48/1351988648.db2.gz HAQNVONDIFMTSR-SNVBAGLBSA-N -1 1 340.387 2.325 20 10 EECDMM C[C@H](NC(=O)c1coc(-c2nnn[n-]2)c1)c1ccc(N(C)C)cc1 ZINC001589948238 1349074011 /nfs/dbraw/zinc/07/40/11/1349074011.db2.gz JNPOIHHCJPYQLG-JTQLQIEISA-N -1 1 326.360 2.017 20 10 EECDMM C[C@H](NC(=O)c1coc(-c2nn[n-]n2)c1)c1ccc(N(C)C)cc1 ZINC001589948238 1349074015 /nfs/dbraw/zinc/07/40/15/1349074015.db2.gz JNPOIHHCJPYQLG-JTQLQIEISA-N -1 1 326.360 2.017 20 10 EECDMM CCN(CC)c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001604288433 1350909804 /nfs/dbraw/zinc/90/98/04/1350909804.db2.gz PZHKSVFVSZWMTG-UHFFFAOYSA-N -1 1 340.387 2.236 20 10 EECDMM Cc1ccc(C(=O)NCc2cccc(Cl)c2[O-])cc1-c1nn[nH]n1 ZINC001605820486 1351228495 /nfs/dbraw/zinc/22/84/95/1351228495.db2.gz OZXQHWCNEFOCTR-UHFFFAOYSA-N -1 1 343.774 2.464 20 10 EECDMM CCc1nn(C)c(Cl)c1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784470016 1371409964 /nfs/dbraw/zinc/40/99/64/1371409964.db2.gz KCONWVAQNVZMEN-UHFFFAOYSA-N -1 1 338.747 2.087 20 10 EECDMM CC(C)Cc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc(=O)[nH]1 ZINC000784567582 1371419854 /nfs/dbraw/zinc/41/98/54/1371419854.db2.gz QMUHLNHDOCLLIH-UHFFFAOYSA-N -1 1 345.351 2.437 20 10 EECDMM COc1ccc2c(c1)CCN(C(=O)c1c(F)ccc(O)c1[O-])CC2 ZINC000829880177 1372296689 /nfs/dbraw/zinc/29/66/89/1372296689.db2.gz MEOGGMMHCSNAKQ-UHFFFAOYSA-N -1 1 331.343 2.487 20 10 EECDMM CCn1cc(CNCc2cc(Br)cc(F)c2[O-])nn1 ZINC000715788271 795502987 /nfs/dbraw/zinc/50/29/87/795502987.db2.gz JRQQVEQWMPPNDR-UHFFFAOYSA-N -1 1 329.173 2.195 20 10 EECDMM O=C([O-])/C=C/c1ccc(N2CCN(CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000324533557 796965949 /nfs/dbraw/zinc/96/59/49/796965949.db2.gz RSSNQUMMUNEEQM-GQCTYLIASA-N -1 1 331.372 2.225 20 10 EECDMM COc1cc([N+](=O)[O-])c(NCC(=O)c2ccc([O-])c(O)c2)cc1F ZINC001170314777 809886217 /nfs/dbraw/zinc/88/62/17/809886217.db2.gz HZYOZAUPPOGANW-UHFFFAOYSA-N -1 1 336.275 2.449 20 10 EECDMM O=C(CNc1nc(Cl)nc2scnc21)c1ccc([O-])c(O)c1 ZINC001170314140 809886237 /nfs/dbraw/zinc/88/62/37/809886237.db2.gz PBXRMVBZJXAASU-UHFFFAOYSA-N -1 1 336.760 2.446 20 10 EECDMM COC(=O)[C@@H](C)c1ccc(NCC(=O)c2ccc([O-])c(O)c2)nc1 ZINC001170316686 809887349 /nfs/dbraw/zinc/88/73/49/809887349.db2.gz 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CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c[nH]c(=S)[n-]c1=O ZINC001196016536 1283855645 /nfs/dbraw/zinc/85/56/45/1283855645.db2.gz UDUWPWBZMOTCEJ-UHFFFAOYSA-N -1 1 332.429 2.199 20 10 EECDMM O=C(CNC(=O)c1snc(Cl)c1Cl)c1ccc([O-])c(O)c1 ZINC001196346883 1284015714 /nfs/dbraw/zinc/01/57/14/1284015714.db2.gz KRDGLXQENUMKDE-UHFFFAOYSA-N -1 1 347.179 2.474 20 10 EECDMM Cc1cc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)nn1CC1CCC1 ZINC001199580968 1285720420 /nfs/dbraw/zinc/72/04/20/1285720420.db2.gz AJUMYQNIVPPEEU-UHFFFAOYSA-N -1 1 343.383 2.016 20 10 EECDMM CC(C)OC(=O)COc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227580591 1301896578 /nfs/dbraw/zinc/89/65/78/1301896578.db2.gz ROOQSFOIDWKWBP-UHFFFAOYSA-N -1 1 340.331 2.498 20 10 EECDMM CC(=O)Nc1ccc(F)c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000783127752 1304191331 /nfs/dbraw/zinc/19/13/31/1304191331.db2.gz VFRCLPMXLKMVMF-UHFFFAOYSA-N -1 1 347.298 2.235 20 10 EECDMM COCCOc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000783625266 1304312853 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Cc1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cccc(F)c2[O-])n(C)n1 ZINC001276539293 1324008888 /nfs/dbraw/zinc/00/88/88/1324008888.db2.gz QHIUHJCTTQVXGR-IYBDPMFKSA-N -1 1 344.434 2.422 20 10 EECDMM [O-]c1c(Br)cccc1CNc1cnccc1-c1nn[nH]n1 ZINC001609611252 1352037076 /nfs/dbraw/zinc/03/70/76/1352037076.db2.gz TUCQWGRTUUUSCR-UHFFFAOYSA-N -1 1 347.176 2.342 20 10 EECDMM CN(Cc1ccc(N2CCOCC2)cc1)Cc1cccc(C(=O)[O-])n1 ZINC001610122105 1352167414 /nfs/dbraw/zinc/16/74/14/1352167414.db2.gz MEFVUHOZVNMWIE-UHFFFAOYSA-N -1 1 341.411 2.248 20 10 EECDMM O=C([O-])c1ccc(Cl)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 ZINC001602657772 1350567487 /nfs/dbraw/zinc/56/74/87/1350567487.db2.gz LFINEJIOORWSMH-LCYFTJDESA-N -1 1 342.738 2.500 20 10 EECDMM CN(Cc1ccccc1O)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001604818362 1351015324 /nfs/dbraw/zinc/01/53/24/1351015324.db2.gz GNFVPFSRMJNOLK-UHFFFAOYSA-N -1 1 326.316 2.117 20 10 EECDMM CN(Cc1ccccc1O)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001604818362 1351015327 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[O-]c1cc(O)c(CN2CCn3c(nnc3C(F)(F)F)C2)cc1Cl ZINC001232259964 1304056948 /nfs/dbraw/zinc/05/69/48/1304056948.db2.gz NXHWKQMOLNJXDY-UHFFFAOYSA-N -1 1 348.712 2.377 20 10 EECDMM O=C(COC(=O)c1c(Cl)nc2ccccn21)c1ccc([O-])c(O)c1 ZINC000782980397 1304167901 /nfs/dbraw/zinc/16/79/01/1304167901.db2.gz LQHUNBBQFZRWMG-UHFFFAOYSA-N -1 1 346.726 2.439 20 10 EECDMM C[C@H]1CN(C2CN(Cc3cc(F)c(Cl)cc3[O-])C2)C[C@H](C)O1 ZINC001237940787 1306154610 /nfs/dbraw/zinc/15/46/10/1306154610.db2.gz DBEMQQNICJZNKU-QWRGUYRKSA-N -1 1 328.815 2.478 20 10 EECDMM CCOCc1nnn2c1CN(Cc1cc(F)c(F)cc1[O-])CCC2 ZINC001142517725 1315646716 /nfs/dbraw/zinc/64/67/16/1315646716.db2.gz XVJWEJCUCFJOQK-UHFFFAOYSA-N -1 1 338.358 2.204 20 10 EECDMM O=C(Nc1ccc2c(c1)CCO2)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155228662 1317512743 /nfs/dbraw/zinc/51/27/43/1317512743.db2.gz WJUJVUOLSALKOK-UHFFFAOYSA-N -1 1 339.303 2.391 20 10 EECDMM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)Cc1ccc(C)cc1 ZINC001259264492 1319503159 /nfs/dbraw/zinc/50/31/59/1319503159.db2.gz 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ZINC001180502481 800461762 /nfs/dbraw/zinc/46/17/62/800461762.db2.gz JWHWZUSBCUEYOJ-UHFFFAOYSA-N -1 1 329.352 2.093 20 10 EECDMM CN(C)C(=O)Cn1ccc(NCc2c([O-])ccc(Cl)c2F)n1 ZINC000790977463 809026400 /nfs/dbraw/zinc/02/64/00/809026400.db2.gz XVBXJCPBAWHYRO-UHFFFAOYSA-N -1 1 326.759 2.082 20 10 EECDMM O=C(c1c([O-])c(O)ccc1F)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000296195169 465111925 /nfs/dbraw/zinc/11/19/25/465111925.db2.gz UZGJINLZTVXAHS-VIFPVBQESA-N -1 1 325.727 2.174 20 10 EECDMM COCC[C@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000277405452 463914453 /nfs/dbraw/zinc/91/44/53/463914453.db2.gz KAYUWJMCZGGVJX-VIFPVBQESA-N -1 1 331.210 2.379 20 10 EECDMM O=C(c1c(F)ccc(O)c1[O-])N1CC[C@@H](OCc2ccccn2)C1 ZINC000294807389 464611059 /nfs/dbraw/zinc/61/10/59/464611059.db2.gz BQIPAJXFQJRMHK-GFCCVEGCSA-N -1 1 332.331 2.063 20 10 EECDMM CCCCNC(=O)[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000295241971 464758073 /nfs/dbraw/zinc/75/80/73/464758073.db2.gz LSCRTDPTVRHKOG-LLVKDONJSA-N -1 1 338.379 2.005 20 10 EECDMM COC(=O)C[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CCO1 ZINC000267606813 464937230 /nfs/dbraw/zinc/93/72/30/464937230.db2.gz ALHJFABMJKALEP-CYBMUJFWSA-N -1 1 341.791 2.012 20 10 EECDMM O=C(NCCn1cccc1)NCc1cccc(Br)c1[O-] ZINC000764797925 577488691 /nfs/dbraw/zinc/48/86/91/577488691.db2.gz OXRBOHYRTGDCQO-UHFFFAOYSA-N -1 1 338.205 2.456 20 10 EECDMM Cc1[nH]c(=O)ccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765752010 577506618 /nfs/dbraw/zinc/50/66/18/577506618.db2.gz DCGUOLJYZPSAFP-UHFFFAOYSA-N -1 1 337.173 2.494 20 10 EECDMM O=C(NCc1cccc(Br)c1[O-])c1n[nH]c2c1CCC2 ZINC000765753624 577506623 /nfs/dbraw/zinc/50/66/23/577506623.db2.gz ORLKMCDSJMMLQA-UHFFFAOYSA-N -1 1 336.189 2.297 20 10 EECDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000758774087 577631058 /nfs/dbraw/zinc/63/10/58/577631058.db2.gz LPESSPVHGNLAAO-UHFFFAOYSA-N -1 1 349.364 2.167 20 10 EECDMM Cc1cc(C)nc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000747613719 577946888 /nfs/dbraw/zinc/94/68/88/577946888.db2.gz DIRYUJRJLJWXHU-UHFFFAOYSA-N -1 1 335.385 2.028 20 10 EECDMM CN(CC(=O)N(C)c1ccccc1C(=O)[O-])Cc1ccccc1O ZINC000833691225 604951346 /nfs/dbraw/zinc/95/13/46/604951346.db2.gz LNCONEJQOZDTIY-UHFFFAOYSA-N -1 1 328.368 2.185 20 10 EECDMM O=C(NCc1cccc(Cl)c1[O-])C1CCN(c2cnccn2)CC1 ZINC000890757919 675592532 /nfs/dbraw/zinc/59/25/32/675592532.db2.gz NCMBLISLOOWXEP-UHFFFAOYSA-N -1 1 346.818 2.368 20 10 EECDMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2F)c([N+](=O)[O-])c1 ZINC000321029023 688554933 /nfs/dbraw/zinc/55/49/33/688554933.db2.gz UMYDCCHKYFPPRW-UHFFFAOYSA-N -1 1 342.304 2.249 20 10 EECDMM COCC[N@H+](CCC(=O)[O-])Cc1cc(Br)ccc1[O-] ZINC000904269484 694340944 /nfs/dbraw/zinc/34/09/44/694340944.db2.gz HVQKFWWDJXGPPP-UHFFFAOYSA-N -1 1 332.194 2.078 20 10 EECDMM COCC[N@@H+](CCC(=O)[O-])Cc1cc(Br)ccc1[O-] ZINC000904269484 694340948 /nfs/dbraw/zinc/34/09/48/694340948.db2.gz HVQKFWWDJXGPPP-UHFFFAOYSA-N -1 1 332.194 2.078 20 10 EECDMM COc1nc(S(=O)(=O)[N-]c2cc(F)c(O)c(F)c2)ccc1F ZINC001190095815 1280651755 /nfs/dbraw/zinc/65/17/55/1280651755.db2.gz JMFILLNIJJOKST-UHFFFAOYSA-N -1 1 334.275 2.014 20 10 EECDMM O=C(CNC(=O)c1cccc(-c2ccccn2)n1)c1ccc([O-])c(O)c1 ZINC001192119087 1281806564 /nfs/dbraw/zinc/80/65/64/1281806564.db2.gz RTAOOELSOOXVDF-UHFFFAOYSA-N -1 1 349.346 2.168 20 10 EECDMM O=C(c1ccc(O)c([O-])c1Cl)N1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001193232995 1282393740 /nfs/dbraw/zinc/39/37/40/1282393740.db2.gz TXAABMKVKRAWAD-OCAPTIKFSA-N -1 1 333.718 2.105 20 10 EECDMM O=S(=O)(C[C@H]1CCCO1)[N-]c1ccc(O)cc1C(F)(F)F ZINC001193261173 1282409667 /nfs/dbraw/zinc/40/96/67/1282409667.db2.gz HBQIQCISCRQVHE-SECBINFHSA-N -1 1 325.308 2.332 20 10 EECDMM O=C1c2ccccc2C(=O)c2c(OC[C@H]3CCCO3)cc([O-])c(O)c21 ZINC001229196599 1302665958 /nfs/dbraw/zinc/66/59/58/1302665958.db2.gz GGTDHTAXJBDOLF-SNVBAGLBSA-N -1 1 340.331 2.431 20 10 EECDMM CNC(=O)[C@@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2O)CCO1 ZINC000781576979 1303821813 /nfs/dbraw/zinc/82/18/13/1303821813.db2.gz KMSFSSIOXUCQDX-SFHVURJKSA-N -1 1 340.379 2.238 20 10 EECDMM Cc1cc(Br)c([O-])c(CN2CCNC(=O)C2(C)C)c1 ZINC000781915101 1303899639 /nfs/dbraw/zinc/89/96/39/1303899639.db2.gz WTQZQHQCXIDDBG-UHFFFAOYSA-N -1 1 327.222 2.174 20 10 EECDMM COc1cc(C)cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1O ZINC000783531881 1304293500 /nfs/dbraw/zinc/29/35/00/1304293500.db2.gz FCGOABCVPPDSTN-UHFFFAOYSA-N -1 1 332.308 2.160 20 10 EECDMM [O-]c1c(CN2CCn3cc(CN4CCCC4)nc3C2)ccc(F)c1F ZINC001233073981 1304351873 /nfs/dbraw/zinc/35/18/73/1304351873.db2.gz FRFVEKVMSXOFQT-UHFFFAOYSA-N -1 1 348.397 2.479 20 10 EECDMM O=C(c1ccncc1)N1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233336083 1304434798 /nfs/dbraw/zinc/43/47/98/1304434798.db2.gz YAYKLUWIGDYWEL-UHFFFAOYSA-N -1 1 333.338 2.023 20 10 EECDMM COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)N2Cc1c([O-])ccc(F)c1Cl ZINC001237126070 1305806263 /nfs/dbraw/zinc/80/62/63/1305806263.db2.gz HQNKZQUQALFKMC-JGPRNRPPSA-N -1 1 343.782 2.337 20 10 EECDMM C[C@H]1COCCN1Cc1cccc(I)c1[O-] ZINC001237778202 1306084531 /nfs/dbraw/zinc/08/45/31/1306084531.db2.gz UMDAGHWAFYHZAQ-VIFPVBQESA-N -1 1 333.169 2.218 20 10 EECDMM CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(F)c([O-])cc2F)cc1 ZINC001251841130 1317507525 /nfs/dbraw/zinc/50/75/25/1317507525.db2.gz DJONZCLXZKYTDR-UHFFFAOYSA-N -1 1 342.323 2.430 20 10 EECDMM CC(C)OC(=O)c1cccnc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001159280173 1319715100 /nfs/dbraw/zinc/71/51/00/1319715100.db2.gz DIFJEWPLFIOLNY-UHFFFAOYSA-N -1 1 330.340 2.353 20 10 EECDMM O=C(CCc1ccc[nH]1)N1CCC12CN(Cc1cccc(F)c1[O-])C2 ZINC001276537886 1324000816 /nfs/dbraw/zinc/00/08/16/1324000816.db2.gz OQLPHVJJGOPKNM-UHFFFAOYSA-N -1 1 343.402 2.279 20 10 EECDMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)c1ccc(N(C)C)cc1 ZINC001589944512 1349072054 /nfs/dbraw/zinc/07/20/54/1349072054.db2.gz LLGZXQUQKYSCNT-JTQLQIEISA-N -1 1 326.360 2.017 20 10 EECDMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)c1ccc(N(C)C)cc1 ZINC001589944512 1349072057 /nfs/dbraw/zinc/07/20/57/1349072057.db2.gz LLGZXQUQKYSCNT-JTQLQIEISA-N -1 1 326.360 2.017 20 10 EECDMM O=[N+]([O-])c1c(NCc2c(O)cccc2F)cccc1-c1nn[n-]n1 ZINC001593469414 1349804310 /nfs/dbraw/zinc/80/43/10/1349804310.db2.gz PGXXWWMMUZMKFY-UHFFFAOYSA-N -1 1 330.279 2.232 20 10 EECDMM COCc1ccnc(N[C@H](C)c2cccc(-c3nn[nH]n3)c2[O-])c1 ZINC001591460299 1403916214 /nfs/dbraw/zinc/91/62/14/1403916214.db2.gz YBMQUQOXRCXKAJ-SNVBAGLBSA-N -1 1 326.360 2.287 20 10 EECDMM Cc1ccc(C)n1-c1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC001592140068 1404006278 /nfs/dbraw/zinc/00/62/78/1404006278.db2.gz DSZNKYZLTYINKJ-UHFFFAOYSA-N -1 1 348.370 2.250 20 10 EECDMM Cc1ccc(C)n1-c1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC001592140068 1404006282 /nfs/dbraw/zinc/00/62/82/1404006282.db2.gz DSZNKYZLTYINKJ-UHFFFAOYSA-N -1 1 348.370 2.250 20 10 EECDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000893978706 780362198 /nfs/dbraw/zinc/36/21/98/780362198.db2.gz FFYZECNHRPSGEA-LRDDRELGSA-N -1 1 340.807 2.183 20 10 EECDMM C[C@H]1Cc2ccccc2N1CCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000789963776 808297365 /nfs/dbraw/zinc/29/73/65/808297365.db2.gz NVMQOEPCIJIJNK-NSHDSACASA-N -1 1 330.359 2.418 20 10 EECDMM O=C(NCc1cccc(Br)c1[O-])NC1CCOCC1 ZINC000277344295 463912832 /nfs/dbraw/zinc/91/28/32/463912832.db2.gz FXVJEMXZDYGZAE-UHFFFAOYSA-N -1 1 329.194 2.133 20 10 EECDMM CCOC(=O)[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@@H](C)CC ZINC000278412073 463964908 /nfs/dbraw/zinc/96/49/08/463964908.db2.gz QCFDYMBTLSZEDW-GWCFXTLKSA-N -1 1 340.376 2.376 20 10 EECDMM O=C(NCc1cccc(Br)c1[O-])NCC1=CCCOC1 ZINC000287907810 464024990 /nfs/dbraw/zinc/02/49/90/464024990.db2.gz HOQDHJIEAUCSRA-UHFFFAOYSA-N -1 1 341.205 2.301 20 10 EECDMM CCN1C(=O)C(=Cc2[nH]nc3cc(C(=O)[O-])ccc32)SC1=S ZINC000765501822 577502068 /nfs/dbraw/zinc/50/20/68/577502068.db2.gz XLACXKZJUJVBDO-WDZFZDKYSA-N -1 1 333.394 2.482 20 10 EECDMM CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000833506291 604769544 /nfs/dbraw/zinc/76/95/44/604769544.db2.gz XBSUDCHDLAWTTH-LBPRGKRZSA-N -1 1 346.221 2.465 20 10 EECDMM CC(C)CN1N=C(C(=O)NCc2cccc(Cl)c2[O-])CCC1=O ZINC000890760063 675594994 /nfs/dbraw/zinc/59/49/94/675594994.db2.gz ZPLPQELEKAJJSP-UHFFFAOYSA-N -1 1 337.807 2.296 20 10 EECDMM COc1cc(COCC(=O)NCc2cccc(Cl)c2[O-])ccn1 ZINC000890762453 675600409 /nfs/dbraw/zinc/60/04/09/675600409.db2.gz CXYHYHIWMFUEQS-UHFFFAOYSA-N -1 1 336.775 2.282 20 10 EECDMM CN1C[C@@]2(CCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)OCC1=O ZINC001272621315 1190935190 /nfs/dbraw/zinc/93/51/90/1190935190.db2.gz KTERPTBSOJXGSO-OAHLLOKOSA-N -1 1 345.226 2.132 20 10 EECDMM C[C@@](O)(C(=O)NCc1cccc(Br)c1[O-])C1CCC1 ZINC000813539678 1199086674 /nfs/dbraw/zinc/08/66/74/1199086674.db2.gz WMTGFGRLEPIZDR-AWEZNQCLSA-N -1 1 328.206 2.322 20 10 EECDMM CO[C@H](C)[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000811958223 1200431468 /nfs/dbraw/zinc/43/14/68/1200431468.db2.gz SIAJCMBNEATSMY-RKDXNWHRSA-N -1 1 331.210 2.377 20 10 EECDMM O=C(CNC(=O)c1ncsc1C(F)(F)F)c1ccc([O-])c(O)c1 ZINC001188222549 1279804966 /nfs/dbraw/zinc/80/49/66/1279804966.db2.gz JMFKPNCZCRBPKC-UHFFFAOYSA-N -1 1 346.286 2.186 20 10 EECDMM Cc1nn(C)c2sc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)cc12 ZINC000782237824 1303999336 /nfs/dbraw/zinc/99/93/36/1303999336.db2.gz DFYZBQMYAVJNIL-UHFFFAOYSA-N -1 1 346.364 2.394 20 10 EECDMM COc1ccnc(O[C@@H]2CCN(Cc3ccc(F)c(F)c3[O-])C2)n1 ZINC001233080507 1304355722 /nfs/dbraw/zinc/35/57/22/1304355722.db2.gz VTOHPVVOAVGIFL-LLVKDONJSA-N -1 1 337.326 2.122 20 10 EECDMM COC(=O)[C@@H]1CN(Cc2c([O-])ccc(Cl)c2Cl)CCCO1 ZINC001237086438 1305792187 /nfs/dbraw/zinc/79/21/87/1305792187.db2.gz LMZWQGPTIOQWDC-LBPRGKRZSA-N -1 1 334.199 2.463 20 10 EECDMM CC[C@@H](C)NC(=O)c1cc([O-])c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001152609853 1316696873 /nfs/dbraw/zinc/69/68/73/1316696873.db2.gz PIZWMNYSLRUVAW-SECBINFHSA-N -1 1 339.347 2.402 20 10 EECDMM CC[C@@H](NC(=O)c1cc2cc(O)c([O-])cc2oc1=O)C(F)(F)F ZINC001155234102 1317514595 /nfs/dbraw/zinc/51/45/95/1317514595.db2.gz JYUZKYAUMOMZKB-LLVKDONJSA-N -1 1 331.246 2.275 20 10 EECDMM CC1(C)C[C@H](CNC(=O)c2cc3cc(O)c([O-])cc3oc2=O)CCO1 ZINC001155233992 1317514609 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O=C(NCc1ccc(-n2ccnc2)c(F)c1)c1c(F)ccc(O)c1[O-] ZINC000789963005 808297902 /nfs/dbraw/zinc/29/79/02/808297902.db2.gz DYPXRLYPGXWXLS-UHFFFAOYSA-N -1 1 345.305 2.492 20 10 EECDMM COC(=O)c1cc2nc[nH]c2c(NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001170315400 809887479 /nfs/dbraw/zinc/88/74/79/809887479.db2.gz XCRDUFDODMAIEX-UHFFFAOYSA-N -1 1 341.323 2.056 20 10 EECDMM CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C[C@H]2CCCO2)C(=O)[O-])c1[O-] ZINC001589268567 985956175 /nfs/dbraw/zinc/95/61/75/985956175.db2.gz UYSUNMPQWVASAL-OCCSQVGLSA-N -1 1 341.791 2.360 20 10 EECDMM COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])[C@H](C(=O)[O-])C1 ZINC001598800706 996136506 /nfs/dbraw/zinc/13/65/06/996136506.db2.gz PWWKAWCVBFVFDW-UFBFGSQYSA-N -1 1 345.754 2.023 20 10 EECDMM CC(=O)c1cc(Cl)cc(CN2CC[S@](=O)C[C@H](C)C2)c1[O-] ZINC000277343571 463913193 /nfs/dbraw/zinc/91/31/93/463913193.db2.gz FLWGOYSPNIWLFV-UZJPJQLHSA-N -1 1 329.849 2.449 20 10 EECDMM O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1c(F)ccc(O)c1[O-] ZINC000276567041 464982185 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C[C@@H](C(=O)NCc1cccc(Cl)c1[O-])n1nnnc1C(C)(C)C ZINC000890760100 675595000 /nfs/dbraw/zinc/59/50/00/675595000.db2.gz HXMSNWGONBUNLU-VIFPVBQESA-N -1 1 337.811 2.207 20 10 EECDMM C[C@H](C(=O)NCc1cccc(Cl)c1[O-])n1nnnc1C(C)(C)C ZINC000890760099 675595068 /nfs/dbraw/zinc/59/50/68/675595068.db2.gz HXMSNWGONBUNLU-SECBINFHSA-N -1 1 337.811 2.207 20 10 EECDMM CC(C)CN1C(=O)C(=CNc2ccc(F)c(F)c2)C(=O)[N-]C1=S ZINC000255628045 679759582 /nfs/dbraw/zinc/75/95/82/679759582.db2.gz FNOWFOVFSHREAO-UXBLZVDNSA-N -1 1 339.367 2.160 20 10 EECDMM CCO[C@@H]1C[C@H](NC(=O)NCc2cccc(Cl)c2[O-])[C@H]1OC ZINC000894298161 682244148 /nfs/dbraw/zinc/24/41/48/682244148.db2.gz GWSRNELQDQQSKS-OUCADQQQSA-N -1 1 328.796 2.037 20 10 EECDMM CN(CCN(C)C(=O)c1c(F)ccc(O)c1[O-])C(=O)OC(C)(C)C ZINC000297111294 684790434 /nfs/dbraw/zinc/79/04/34/684790434.db2.gz LRWDRVVAYRUHLX-UHFFFAOYSA-N -1 1 342.367 2.176 20 10 EECDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000194636080 684956252 /nfs/dbraw/zinc/95/62/52/684956252.db2.gz 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CC(=O)c1cc(F)cc(C[N@H+](CCC(=O)[O-])C[C@@H]2CCCO2)c1[O-] ZINC000825946779 601151831 /nfs/dbraw/zinc/15/18/31/601151831.db2.gz PRGLNQPZUDOZJW-AWEZNQCLSA-N -1 1 339.363 2.190 20 10 EECDMM CC(=O)c1cc(F)cc(C[N@@H+](CCC(=O)[O-])C[C@@H]2CCCO2)c1[O-] ZINC000825946779 601151832 /nfs/dbraw/zinc/15/18/32/601151832.db2.gz PRGLNQPZUDOZJW-AWEZNQCLSA-N -1 1 339.363 2.190 20 10 EECDMM COc1c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cccc1[N+](=O)[O-] ZINC000796310964 1215762158 /nfs/dbraw/zinc/76/21/58/1215762158.db2.gz YDHOEHFSHQUVAW-UHFFFAOYSA-N -1 1 347.279 2.054 20 10 EECDMM CN(C)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1 ZINC001186932752 1279302804 /nfs/dbraw/zinc/30/28/04/1279302804.db2.gz YLQFNOXMDACMLR-UHFFFAOYSA-N -1 1 331.397 2.048 20 10 EECDMM Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(O)c([O-])c1Cl)C(=O)N2 ZINC001193236632 1282395485 /nfs/dbraw/zinc/39/54/85/1282395485.db2.gz KHXZAZYSGAJROK-ZDUSSCGKSA-N -1 1 332.743 2.483 20 10 EECDMM O=C(NCc1ccc(N2CCSCC2)cc1)c1cncc([O-])c1 ZINC000109953318 1291793837 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20 10 EECDMM CCc1noc(CC)c1CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784084713 1304415188 /nfs/dbraw/zinc/41/51/88/1304415188.db2.gz RAKJNSQDLHQMHY-UHFFFAOYSA-N -1 1 333.340 2.179 20 10 EECDMM [O-]c1ccc(F)c(F)c1CN1CCN(c2nccnc2Cl)CC1 ZINC001233332297 1304434978 /nfs/dbraw/zinc/43/49/78/1304434978.db2.gz GLLKIVXEUWMTHA-UHFFFAOYSA-N -1 1 340.761 2.436 20 10 EECDMM COC(=O)C[C@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])CCO1 ZINC001233418503 1304461112 /nfs/dbraw/zinc/46/11/12/1304461112.db2.gz JUJBLJDIBCZSQB-NSHDSACASA-N -1 1 333.306 2.175 20 10 EECDMM [O-]c1c(F)cccc1CN1CCCn2nnc(COCC3CC3)c2C1 ZINC001138125164 1314549504 /nfs/dbraw/zinc/54/95/04/1314549504.db2.gz JVWVMOQGPLDQAY-UHFFFAOYSA-N -1 1 346.406 2.455 20 10 EECDMM CN1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251429286 1317459138 /nfs/dbraw/zinc/45/91/38/1317459138.db2.gz NWWWRAKNZYTNLZ-VIFPVBQESA-N -1 1 339.244 2.072 20 10 EECDMM O=C(Nc1nccc2cnccc21)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155222633 1317508366 /nfs/dbraw/zinc/50/83/66/1317508366.db2.gz RCKSGUBPOPKDEE-UHFFFAOYSA-N -1 1 349.302 2.400 20 10 EECDMM COC(=O)c1ccccc1S(=O)(=O)Nc1c(F)cc([O-])cc1F ZINC001254050436 1317992778 /nfs/dbraw/zinc/99/27/78/1317992778.db2.gz IVZPQHNWNNYILW-UHFFFAOYSA-N -1 1 343.307 2.258 20 10 EECDMM COC(=O)c1cnc(Cl)cc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001159272361 1319711576 /nfs/dbraw/zinc/71/15/76/1319711576.db2.gz LRJXYZFHOZKLKS-UHFFFAOYSA-N -1 1 336.731 2.228 20 10 EECDMM CCOCC[C@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)[O-] ZINC001332494057 1335835126 /nfs/dbraw/zinc/83/51/26/1335835126.db2.gz VWGSNGATUMJALA-NSHDSACASA-N -1 1 332.194 2.124 20 10 EECDMM Cc1cnc(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)[n-]c1=O ZINC001333289116 1335996583 /nfs/dbraw/zinc/99/65/83/1335996583.db2.gz HKQGARPJGNQXHF-UHFFFAOYSA-N -1 1 346.456 2.307 20 10 EECDMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)c1ccc(N(C)C)cc1 ZINC001589944513 1349072690 /nfs/dbraw/zinc/07/26/90/1349072690.db2.gz LLGZXQUQKYSCNT-SNVBAGLBSA-N -1 1 326.360 2.017 20 10 EECDMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)c1ccc(N(C)C)cc1 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O=C(c1c([O-])c(O)ccc1F)N1CCC(CO)(c2ccccc2)CC1 ZINC000295234185 464754824 /nfs/dbraw/zinc/75/48/24/464754824.db2.gz CTZLSEQMEUUBIL-UHFFFAOYSA-N -1 1 345.370 2.403 20 10 EECDMM CC(C)(C)OC(=O)NC(C)(C)CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000295376929 464809457 /nfs/dbraw/zinc/80/94/57/464809457.db2.gz SCTFJQFKMNBYEC-UHFFFAOYSA-N -1 1 342.367 2.270 20 10 EECDMM CCCC(=O)NC[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000276561572 464980877 /nfs/dbraw/zinc/98/08/77/464980877.db2.gz JCUABLCOGFYJSN-LLVKDONJSA-N -1 1 338.379 2.005 20 10 EECDMM COc1c([O-])c(CN2CCO[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000774903896 577422702 /nfs/dbraw/zinc/42/27/02/577422702.db2.gz AVDMFCANOUABFA-JTQLQIEISA-N -1 1 336.266 2.072 20 10 EECDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1C[C@]12CCOC2 ZINC000765733451 577506225 /nfs/dbraw/zinc/50/62/25/577506225.db2.gz YSSFHQZFEWVCMA-HZMBPMFUSA-N -1 1 326.190 2.198 20 10 EECDMM O=C(NCc1cccc(Br)c1[O-])c1cnn2ncccc12 ZINC000765771285 577506827 /nfs/dbraw/zinc/50/68/27/577506827.db2.gz 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675592515 /nfs/dbraw/zinc/59/25/15/675592515.db2.gz ILEGSCZDZKHNMQ-ABAIWWIYSA-N -1 1 340.832 2.116 20 10 EECDMM CC(C)(C(=O)NCc1cccc(Cl)c1[O-])S(=O)(=O)C1CC1 ZINC000890759217 675595401 /nfs/dbraw/zinc/59/54/01/675595401.db2.gz GWBLPRINOHHECT-UHFFFAOYSA-N -1 1 331.821 2.018 20 10 EECDMM CCOCCN1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000177278954 681222693 /nfs/dbraw/zinc/22/26/93/681222693.db2.gz GTKOLCUAGGHQES-UHFFFAOYSA-N -1 1 340.851 2.402 20 10 EECDMM Cc1cc(F)cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000135041202 1202335479 /nfs/dbraw/zinc/33/54/79/1202335479.db2.gz FKYSLRUKGYWNCO-UHFFFAOYSA-N -1 1 338.360 2.464 20 10 EECDMM O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1OC[C@H]1C[C@H](O)C1 ZINC001218425094 1297659334 /nfs/dbraw/zinc/65/93/34/1297659334.db2.gz GQNFGWBFKVMGIZ-MJHDQNEOSA-N -1 1 330.336 2.184 20 10 EECDMM Cc1c([O-])cc2c(c1O[C@H]1CCOC1=O)C(=O)c1ccccc1C2=O ZINC001229828726 1302959865 /nfs/dbraw/zinc/95/98/65/1302959865.db2.gz FBFWTULSUQZFAH-AWEZNQCLSA-N -1 1 338.315 2.170 20 10 EECDMM 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COc1ccccc1O[C@@H](C)CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000789987932 808317341 /nfs/dbraw/zinc/31/73/41/808317341.db2.gz ZHCPNVOMINYXNC-JTQLQIEISA-N -1 1 335.331 2.443 20 10 EECDMM CN(C)c1ccc(CN[C@H]2CCCn3nc(C(=O)[O-])cc32)cc1F ZINC000905797324 981155903 /nfs/dbraw/zinc/15/59/03/981155903.db2.gz WLQRCVYACOBDMR-ZDUSSCGKSA-N -1 1 332.379 2.411 20 10 EECDMM COc1ccc(N(C)CC[N@@H+](C)Cc2cccc(C(=O)[O-])n2)cc1 ZINC001599584203 993590728 /nfs/dbraw/zinc/59/07/28/993590728.db2.gz NVVIANSCSHNFHB-UHFFFAOYSA-N -1 1 329.400 2.357 20 10 EECDMM COc1ccc(N(C)CCN(C)Cc2cccc(C(=O)[O-])n2)cc1 ZINC001599584203 993590734 /nfs/dbraw/zinc/59/07/34/993590734.db2.gz NVVIANSCSHNFHB-UHFFFAOYSA-N -1 1 329.400 2.357 20 10 EECDMM CO[C@@H](C)CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277585068 463921056 /nfs/dbraw/zinc/92/10/56/463921056.db2.gz SUIPLKLCWXRUIL-VIFPVBQESA-N -1 1 331.210 2.379 20 10 EECDMM CO[C@H](C)CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277585067 463922100 /nfs/dbraw/zinc/92/21/00/463922100.db2.gz SUIPLKLCWXRUIL-SECBINFHSA-N -1 1 331.210 2.379 20 10 EECDMM NS(=O)(=O)c1cccc(NCc2cc(Cl)cc(F)c2[O-])c1 ZINC000756104506 578223690 /nfs/dbraw/zinc/22/36/90/578223690.db2.gz ZGUIZMNCQSZNFU-UHFFFAOYSA-N -1 1 330.768 2.444 20 10 EECDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1COCCN1C1CCCC1 ZINC000890759772 675595597 /nfs/dbraw/zinc/59/55/97/675595597.db2.gz QYGQSYVCEFZTNM-HNNXBMFYSA-N -1 1 338.835 2.305 20 10 EECDMM Cc1cccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1F ZINC000313242477 686842579 /nfs/dbraw/zinc/84/25/79/686842579.db2.gz YQWDTMGHUXLSIE-UHFFFAOYSA-N -1 1 325.317 2.339 20 10 EECDMM CN1C[C@]2(CCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)OCC1=O ZINC001272621314 1190935156 /nfs/dbraw/zinc/93/51/56/1190935156.db2.gz KTERPTBSOJXGSO-HNNXBMFYSA-N -1 1 345.226 2.132 20 10 EECDMM C[C@@H]1Cc2ccccc2N1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093911348 1214974443 /nfs/dbraw/zinc/97/44/43/1214974443.db2.gz ZHUHGVIYMKPHNV-LLVKDONJSA-N -1 1 346.408 2.355 20 10 EECDMM O=C(NCc1cccnc1N1CCCC1)c1c(F)ccc(O)c1[O-] ZINC000857305157 1293788432 /nfs/dbraw/zinc/78/84/32/1293788432.db2.gz ZEYAXYKUROMMTF-UHFFFAOYSA-N -1 1 331.347 2.162 20 10 EECDMM Cc1c([O-])cc2c(c1OC[C@H]1COCO1)C(=O)c1ccccc1C2=O ZINC001229828793 1302959775 /nfs/dbraw/zinc/95/97/75/1302959775.db2.gz GZZZGSNGBBNPLN-LLVKDONJSA-N -1 1 340.331 2.228 20 10 EECDMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001123494886 1310590396 /nfs/dbraw/zinc/59/03/96/1310590396.db2.gz HAXKZTXDGFNLSW-UHFFFAOYSA-N -1 1 344.440 2.310 20 10 EECDMM O=C(NC1CCN(Cc2c(F)ccc(F)c2[O-])CC1)c1ccncc1 ZINC001139687860 1314759119 /nfs/dbraw/zinc/75/91/19/1314759119.db2.gz SFHLRLVQUXAVPC-UHFFFAOYSA-N -1 1 347.365 2.460 20 10 EECDMM CC(=Cc1cccnc1)C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001588771972 1348934250 /nfs/dbraw/zinc/93/42/50/1348934250.db2.gz GRYHEHFYCBJKCB-BENRWUELSA-N -1 1 347.382 2.039 20 10 EECDMM CC(=O)Nc1ccc(C)c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000784850445 1371450525 /nfs/dbraw/zinc/45/05/25/1371450525.db2.gz NNEKDSFRCKGBDI-UHFFFAOYSA-N -1 1 343.335 2.404 20 10 EECDMM CC(=O)Nc1ccccc1CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000785009133 758153722 /nfs/dbraw/zinc/15/37/22/758153722.db2.gz BROXRAYTHFKYDN-UHFFFAOYSA-N -1 1 343.335 2.025 20 10 EECDMM CC(C)CN1C(=O)C(=CN[C@@H]2CCC[C@H](C)[C@H]2C)C(=O)[N-]C1=S ZINC000920975922 770929748 /nfs/dbraw/zinc/92/97/48/770929748.db2.gz DCFNFMKWQOAVSP-IJJYDZAQSA-N -1 1 337.489 2.184 20 10 EECDMM O=C(COC(=O)c1ccc([N+](=O)[O-])c(F)c1)c1ccc([O-])c(O)c1 ZINC000783436125 781314280 /nfs/dbraw/zinc/31/42/80/781314280.db2.gz GIGVMIXPFFLWRO-UHFFFAOYSA-N -1 1 335.243 2.185 20 10 EECDMM COc1c([O-])c(CN[C@H](C(=O)OC(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000824847384 788336191 /nfs/dbraw/zinc/33/61/91/788336191.db2.gz YODJRRCPLGUVTM-ZDUSSCGKSA-N -1 1 340.376 2.375 20 10 EECDMM CC(=O)c1cc(Cl)cc(CN(CCS(C)(=O)=O)C2CC2)c1[O-] ZINC000156429224 789097473 /nfs/dbraw/zinc/09/74/73/789097473.db2.gz WMPUTIPKIXHFRO-UHFFFAOYSA-N -1 1 345.848 2.257 20 10 EECDMM O=C(CCSc1ccccn1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784104276 789584199 /nfs/dbraw/zinc/58/41/99/789584199.db2.gz NWDCVCZHMZHLGR-UHFFFAOYSA-N -1 1 333.365 2.401 20 10 EECDMM CC/C=C/NC(=O)CN(C)Cc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001184359844 801980706 /nfs/dbraw/zinc/98/07/06/801980706.db2.gz MNQCLCMLSHAMKL-AATRIKPKSA-N -1 1 330.384 2.279 20 10 EECDMM C[C@@H]1Cc2ccccc2N1CCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000789963775 808297384 /nfs/dbraw/zinc/29/73/84/808297384.db2.gz NVMQOEPCIJIJNK-LLVKDONJSA-N -1 1 330.359 2.418 20 10 EECDMM COc1ccnc2cc(NCC(=O)c3ccc([O-])c(O)c3)cnc21 ZINC001170321273 809889653 /nfs/dbraw/zinc/88/96/53/809889653.db2.gz YXFPHABZRGZYSJ-UHFFFAOYSA-N -1 1 325.324 2.344 20 10 EECDMM COC(=O)C[C@H](C)CC(=O)NCc1cccc(Br)c1[O-] ZINC000290225252 464111175 /nfs/dbraw/zinc/11/11/75/464111175.db2.gz SFSWWDPCOQVQAX-SECBINFHSA-N -1 1 344.205 2.360 20 10 EECDMM CC(C)c1nc(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])n[nH]1 ZINC000294808983 464611826 /nfs/dbraw/zinc/61/18/26/464611826.db2.gz NQDYDPXALBJVTA-UHFFFAOYSA-N -1 1 325.756 2.485 20 10 EECDMM CCOC(=O)[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774823193 577419521 /nfs/dbraw/zinc/41/95/21/577419521.db2.gz QDSIJJDKVXOQRK-ZDUSSCGKSA-N -1 1 338.360 2.227 20 10 EECDMM O=C(NCc1cccc(Br)c1[O-])NOC1CCOCC1 ZINC000764806566 577488798 /nfs/dbraw/zinc/48/87/98/577488798.db2.gz RJQUWDBLXFOELA-UHFFFAOYSA-N -1 1 345.193 2.065 20 10 EECDMM Cc1ccc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)cn1 ZINC000761632243 577687001 /nfs/dbraw/zinc/68/70/01/577687001.db2.gz DXXDAMBGPKBURF-UHFFFAOYSA-N -1 1 346.368 2.184 20 10 EECDMM CCN1CCN(Cc2cc(C)cc(Br)c2[O-])CC1=O ZINC000758014224 577868212 /nfs/dbraw/zinc/86/82/12/577868212.db2.gz DPHWCQYJVDXYEB-UHFFFAOYSA-N -1 1 327.222 2.127 20 10 EECDMM CCCC1N=NC(=S)N1CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890757422 675592169 /nfs/dbraw/zinc/59/21/69/675592169.db2.gz CVDOVXFCBRDROB-UHFFFAOYSA-N -1 1 340.836 2.195 20 10 EECDMM O=S(=O)([N-]Cc1cc(Br)ccc1O)c1nccs1 ZINC001187918217 1279697562 /nfs/dbraw/zinc/69/75/62/1279697562.db2.gz XFGJZDZQYXVFPV-UHFFFAOYSA-N -1 1 349.231 2.090 20 10 EECDMM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(O)c([O-])c1Cl)C(=O)N2 ZINC001193236631 1282395808 /nfs/dbraw/zinc/39/58/08/1282395808.db2.gz KHXZAZYSGAJROK-CYBMUJFWSA-N -1 1 332.743 2.483 20 10 EECDMM O=C(CNC(=O)c1nc(-c2ccccc2)c[nH]1)c1ccc([O-])c(O)c1 ZINC001195348294 1283537585 /nfs/dbraw/zinc/53/75/85/1283537585.db2.gz VPIXHSAYNQKBNM-UHFFFAOYSA-N -1 1 337.335 2.101 20 10 EECDMM O=C(c1ccc(O)cc1)N1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000778999209 1291746814 /nfs/dbraw/zinc/74/68/14/1291746814.db2.gz AVCBMVQXAKAONX-UHFFFAOYSA-N -1 1 330.359 2.195 20 10 EECDMM O=C(c1c([O-])c(O)ccc1F)N1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000857272491 1293778074 /nfs/dbraw/zinc/77/80/74/1293778074.db2.gz GVGUTOQFOTWANE-CHWSQXEVSA-N -1 1 342.370 2.445 20 10 EECDMM CCCC(=O)N1CCCC[C@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783094319 1304185955 /nfs/dbraw/zinc/18/59/55/1304185955.db2.gz GPXRDVNPTGAPSR-ZDUSSCGKSA-N -1 1 349.383 2.005 20 10 EECDMM CCOC(=O)[C@@H]1CN(Cc2cc(F)c(Cl)cc2[O-])CCC1=O ZINC001237933618 1306152859 /nfs/dbraw/zinc/15/28/59/1306152859.db2.gz DYYGGXAAIALFSH-SNVBAGLBSA-N -1 1 329.755 2.139 20 10 EECDMM CC(C)(C)OC(=O)CN1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142521111 1315648214 /nfs/dbraw/zinc/64/82/14/1315648214.db2.gz XYVAUUMUNDEXBC-UHFFFAOYSA-N -1 1 342.386 2.130 20 10 EECDMM Cc1nc2ccc(C(=O)NCC(=O)c3ccc([O-])c(O)c3)cc2o1 ZINC001152121555 1316635007 /nfs/dbraw/zinc/63/50/07/1316635007.db2.gz BVGTYWJUDNENDU-UHFFFAOYSA-N -1 1 326.308 2.160 20 10 EECDMM O=C(CNc1ncnc2cc(Cl)cnc21)c1ccc([O-])c(O)c1 ZINC001159279529 1319715790 /nfs/dbraw/zinc/71/57/90/1319715790.db2.gz RZOOEHKQAXBEIM-UHFFFAOYSA-N -1 1 330.731 2.384 20 10 EECDMM Cc1cc(C(F)(F)NCC(=O)c2ccc([O-])c(O)c2)c(Cl)nn1 ZINC001159280493 1319716979 /nfs/dbraw/zinc/71/69/79/1319716979.db2.gz UECWRLULQVQMEJ-UHFFFAOYSA-N -1 1 343.717 2.371 20 10 EECDMM COc1cc2c(c(OC)c1)N(Cc1ccc(-c3nnn[n-]3)o1)CCC2 ZINC001591555808 1349506861 /nfs/dbraw/zinc/50/68/61/1349506861.db2.gz YRSKJECTDLQPKU-UHFFFAOYSA-N -1 1 341.371 2.430 20 10 EECDMM COc1cc2c(c(OC)c1)N(Cc1ccc(-c3nn[n-]n3)o1)CCC2 ZINC001591555808 1349506866 /nfs/dbraw/zinc/50/68/66/1349506866.db2.gz YRSKJECTDLQPKU-UHFFFAOYSA-N -1 1 341.371 2.430 20 10 EECDMM O=C([O-])C[N@@H+](Cc1cccc(Br)c1[O-])C1CCOCC1 ZINC001602059359 1350429796 /nfs/dbraw/zinc/42/97/96/1350429796.db2.gz WANSRBBGRXYFSQ-UHFFFAOYSA-N -1 1 344.205 2.220 20 10 EECDMM O=C(Nc1cc2n(n1)CC(F)(F)CO2)c1ccc(O)c([O-])c1Cl ZINC001193218719 1368445780 /nfs/dbraw/zinc/44/57/80/1368445780.db2.gz COTNRAPGKODYHH-UHFFFAOYSA-N -1 1 345.689 2.228 20 10 EECDMM O=C(C=Cc1ccc2c(c1)OCO2)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916590026 797661997 /nfs/dbraw/zinc/66/19/97/797661997.db2.gz ZCFKNGWRCKXUJY-QHHAFSJGSA-N -1 1 342.303 2.266 20 10 EECDMM CC[C@H](C)NC(=O)CN(C)Cc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001184362899 801981565 /nfs/dbraw/zinc/98/15/65/801981565.db2.gz WFZKKLGDOTVIBY-LBPRGKRZSA-N -1 1 332.400 2.154 20 10 EECDMM O=C(CNC(=O)c1cc(C2CCC2)ccn1)c1ccc([O-])c(O)c1 ZINC001185313593 802456105 /nfs/dbraw/zinc/45/61/05/802456105.db2.gz JIBXPYWUBOMNBK-UHFFFAOYSA-N -1 1 326.352 2.373 20 10 EECDMM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1nccn1-c1ccccc1 ZINC000790215573 808522908 /nfs/dbraw/zinc/52/29/08/808522908.db2.gz KVYHMJUDSJZDHQ-DTQAZKPQSA-N -1 1 330.347 2.334 20 10 EECDMM COC(=O)c1ccc([N+](=O)[O-])c(NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001170320675 809889426 /nfs/dbraw/zinc/88/94/26/809889426.db2.gz ILYXUIIHPXBQJH-UHFFFAOYSA-N -1 1 346.295 2.087 20 10 EECDMM CC1(C)CNC(=O)c2cc(NCC(=O)c3ccc([O-])c(O)c3)ccc21 ZINC001170320767 809889630 /nfs/dbraw/zinc/88/96/30/809889630.db2.gz MWRFNRPBPKTJLL-UHFFFAOYSA-N -1 1 340.379 2.414 20 10 EECDMM Cc1nc2ccc(NCC(=O)c3ccc([O-])c(O)c3)cc2c(=O)o1 ZINC001170322743 809889965 /nfs/dbraw/zinc/88/99/65/809889965.db2.gz OVVUQARIRBOKKT-UHFFFAOYSA-N -1 1 326.308 2.202 20 10 EECDMM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@H+](Cc3ccc(Cl)cc3[O-])C2)cn1 ZINC001594535212 955566166 /nfs/dbraw/zinc/56/61/66/955566166.db2.gz JHOQRKDQXNWJPB-CHWSQXEVSA-N -1 1 349.818 2.469 20 10 EECDMM 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COc1nc(NC(=O)c2ccc(O)c([O-])c2Cl)c(C)c(OC)n1 ZINC001193220006 1368445926 /nfs/dbraw/zinc/44/59/26/1368445926.db2.gz OWCULHXTDHTBAV-UHFFFAOYSA-N -1 1 339.735 2.119 20 10 EECDMM C[C@@H]1C(=O)CC[C@@H](C(=O)OCC(=O)c2ccc([O-])c(O)c2)C1(C)C ZINC000784843378 1371449554 /nfs/dbraw/zinc/44/95/54/1371449554.db2.gz FASOHKJEXLUFRD-PWSUYJOCSA-N -1 1 334.368 2.465 20 10 EECDMM CC(C)OCc1nc([C@@H](C)NC(=O)c2c(F)ccc(O)c2[O-])no1 ZINC000832257982 1372419922 /nfs/dbraw/zinc/41/99/22/1372419922.db2.gz MCKKRJKLCKHCMS-MRVPVSSYSA-N -1 1 339.323 2.036 20 10 EECDMM Cc1ncc(C=CC(=O)N(C)c2snc(C)c2-c2nnn[n-]2)s1 ZINC001606088477 1404765880 /nfs/dbraw/zinc/76/58/80/1404765880.db2.gz UFBVBXVWLKVSDS-PLNGDYQASA-N -1 1 347.429 2.073 20 10 EECDMM Cc1ncc(C=CC(=O)N(C)c2snc(C)c2-c2nn[n-]n2)s1 ZINC001606088477 1404765887 /nfs/dbraw/zinc/76/58/87/1404765887.db2.gz UFBVBXVWLKVSDS-PLNGDYQASA-N -1 1 347.429 2.073 20 10 EECDMM O=C1OCCCN1C1CCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139687300 777738725 /nfs/dbraw/zinc/73/87/25/777738725.db2.gz KZXUEPRWZPVCJA-UHFFFAOYSA-N -1 1 326.343 2.477 20 10 EECDMM COc1cc(OC)cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000916590056 797661803 /nfs/dbraw/zinc/66/18/03/797661803.db2.gz BVGDETOKUKUOMT-UHFFFAOYSA-N -1 1 332.308 2.155 20 10 EECDMM CNC(=O)c1cc(Nc2ccc(F)c(Br)c2[O-])ccn1 ZINC001175415027 798099294 /nfs/dbraw/zinc/09/92/94/798099294.db2.gz JDNDIYUVKDBRSF-UHFFFAOYSA-N -1 1 340.152 2.214 20 10 EECDMM O=C(Cc1c[nH]c2ccc(F)cc12)NCC(=O)c1ccc([O-])c(O)c1 ZINC001183357468 801564413 /nfs/dbraw/zinc/56/44/13/801564413.db2.gz XOYPBWGCSISMNA-UHFFFAOYSA-N -1 1 342.326 2.260 20 10 EECDMM C[C@H](OCc1ccccc1)C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001183494957 801627878 /nfs/dbraw/zinc/62/78/78/801627878.db2.gz FMFRXOLDAAVISH-LBPRGKRZSA-N -1 1 329.352 2.002 20 10 EECDMM CN(C)c1nc(NCC(=O)c2ccc([O-])c(O)c2)nc2ccccc21 ZINC001170316124 809887396 /nfs/dbraw/zinc/88/73/96/809887396.db2.gz MOKKQCWTKJHDHN-UHFFFAOYSA-N -1 1 338.367 2.402 20 10 EECDMM CCOC(=O)COc1ccccc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170322692 809890036 /nfs/dbraw/zinc/89/00/36/809890036.db2.gz MEHQYGMPKOVFMF-UHFFFAOYSA-N -1 1 345.351 2.335 20 10 EECDMM COc1c(O)c(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000278302047 463961829 /nfs/dbraw/zinc/96/18/29/463961829.db2.gz VWLNUNCHMWWXPO-WCQYABFASA-N -1 1 340.401 2.015 20 10 EECDMM COc1c([O-])c(CN2CCC[C@H]2c2nc(C)no2)ccc1[N+](=O)[O-] ZINC000289138530 464068174 /nfs/dbraw/zinc/06/81/74/464068174.db2.gz AAYSFAAOPHVTMB-LBPRGKRZSA-N -1 1 334.332 2.338 20 10 EECDMM COCCCN(Cc1cccc(Cl)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000179605936 464163014 /nfs/dbraw/zinc/16/30/14/464163014.db2.gz MXKIQABGSRVDKH-CYBMUJFWSA-N -1 1 347.864 2.071 20 10 EECDMM Cn1cc([C@@H]2C[N@H+](Cc3cc(Cl)c(F)cc3O)C[C@H]2CO)cn1 ZINC000294683390 464572941 /nfs/dbraw/zinc/57/29/41/464572941.db2.gz NADKOZHXKRUWSP-STQMWFEESA-N -1 1 339.798 2.126 20 10 EECDMM CC(=O)c1cc(Cl)cc(CN2CCN(c3cnccn3)CC2)c1[O-] ZINC000177020478 464908252 /nfs/dbraw/zinc/90/82/52/464908252.db2.gz OSAXUFQIXCULHJ-UHFFFAOYSA-N -1 1 346.818 2.360 20 10 EECDMM COC(=O)[C@]1(F)CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000267658984 464938657 /nfs/dbraw/zinc/93/86/57/464938657.db2.gz MJEQSGHJINWYLA-HNNXBMFYSA-N -1 1 329.755 2.335 20 10 EECDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1F ZINC000773251659 577327368 /nfs/dbraw/zinc/32/73/68/577327368.db2.gz ZCMWYGYOYMNNIP-UHFFFAOYSA-N -1 1 325.317 2.119 20 10 EECDMM CN1CCC[C@@H]1c1cc(C(=O)NCc2cccc(Cl)c2[O-])[nH]n1 ZINC000890761239 675596645 /nfs/dbraw/zinc/59/66/45/675596645.db2.gz NRKFSQZLEPFSQV-CQSZACIVSA-N -1 1 334.807 2.465 20 10 EECDMM CS(=O)(=O)C1CCC(C(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890763529 675602038 /nfs/dbraw/zinc/60/20/38/675602038.db2.gz XQKCLNCPGBZOCM-UHFFFAOYSA-N -1 1 345.848 2.265 20 10 EECDMM O=C(NCCOCC(F)(F)F)NCc1cccc(Cl)c1[O-] ZINC000891772024 676824167 /nfs/dbraw/zinc/82/41/67/676824167.db2.gz KEZDVIZOKAKSML-UHFFFAOYSA-N -1 1 326.702 2.424 20 10 EECDMM [O-]c1c(Br)cc(Cl)cc1CN1CCc2n[nH]nc2C1 ZINC000895352850 684533995 /nfs/dbraw/zinc/53/39/95/684533995.db2.gz DDVGTYAEAXXUAN-UHFFFAOYSA-N -1 1 343.612 2.485 20 10 EECDMM C[C@H]1CN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)Cc2ccccc21 ZINC000872166073 1198065971 /nfs/dbraw/zinc/06/59/71/1198065971.db2.gz BYBCSXIOFOLMGH-NSHDSACASA-N -1 1 338.367 2.252 20 10 EECDMM [O-]c1c(F)cc(Br)cc1CNc1cnn(CCO)c1 ZINC000882967214 1201986973 /nfs/dbraw/zinc/98/69/73/1201986973.db2.gz YXIBCHXWIUOFDC-UHFFFAOYSA-N -1 1 330.157 2.095 20 10 EECDMM [O-]c1c(F)ccc(F)c1CN1C[C@@H]2COC[C@H](C1)N2C1CCCC1 ZINC001275362780 1205322357 /nfs/dbraw/zinc/32/23/57/1205322357.db2.gz PSWZTIJJVAETGQ-OKILXGFUSA-N -1 1 338.398 2.498 20 10 EECDMM CN(C)c1ccc(C[N-]S(=O)(=O)C(Cl)(Cl)Cl)cc1 ZINC001192049395 1281756205 /nfs/dbraw/zinc/75/62/05/1281756205.db2.gz GNJDREAYBYVVCR-UHFFFAOYSA-N -1 1 331.652 2.500 20 10 EECDMM COC(=O)[C@@H]1CCCN(C(=O)c2ccc(O)c([O-])c2Cl)[C@@H]1C ZINC001193232248 1282391459 /nfs/dbraw/zinc/39/14/59/1282391459.db2.gz GGXGKPOSRBKPRK-RKDXNWHRSA-N -1 1 327.764 2.165 20 10 EECDMM CC(=O)c1cc(Cl)cc(CN2CCc3cnc(N)nc3C2)c1[O-] ZINC000857926719 1293956014 /nfs/dbraw/zinc/95/60/14/1293956014.db2.gz IUZCOTMKFUCFIV-UHFFFAOYSA-N -1 1 332.791 2.179 20 10 EECDMM Cc1[nH]nc2nc(C)cc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)c12 ZINC000783337493 1304254007 /nfs/dbraw/zinc/25/40/07/1304254007.db2.gz RWETXUIAHZKCJW-UHFFFAOYSA-N -1 1 341.323 2.026 20 10 EECDMM Cc1ccc([C@@H](C)[C@@H](O)C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000783948028 1304385793 /nfs/dbraw/zinc/38/57/93/1304385793.db2.gz GOLASTOKEIXUGF-KZULUSFZSA-N -1 1 344.363 2.297 20 10 EECDMM COC(=O)CC[C@@H]1COCCN1Cc1cc(F)c(Cl)cc1[O-] ZINC001237940539 1306155645 /nfs/dbraw/zinc/15/56/45/1306155645.db2.gz ANNAJBSXHXQAPR-LLVKDONJSA-N -1 1 331.771 2.339 20 10 EECDMM CCOC(=O)c1cn2c(n1)CN(Cc1ccc(Cl)cc1[O-])CC2 ZINC001140467239 1314892335 /nfs/dbraw/zinc/89/23/35/1314892335.db2.gz REPPGWTXMZSSTR-UHFFFAOYSA-N -1 1 335.791 2.435 20 10 EECDMM [O-]c1cc(F)c(F)cc1CN1CCN(c2nccc(Cl)n2)CC1 ZINC001142524705 1315650359 /nfs/dbraw/zinc/65/03/59/1315650359.db2.gz HOJBSCPEAAPAIL-UHFFFAOYSA-N -1 1 340.761 2.436 20 10 EECDMM CN(C)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC001259344991 1319530142 /nfs/dbraw/zinc/53/01/42/1319530142.db2.gz INWZHCVKPNRZRF-UHFFFAOYSA-N -1 1 334.397 2.325 20 10 EECDMM CCOC(=O)/C=C/c1ccc(NCC(=O)c2ccc([O-])c(O)c2)nc1 ZINC001159278953 1319715236 /nfs/dbraw/zinc/71/52/36/1319715236.db2.gz GSYYWWDVFRNJHO-XBXARRHUSA-N -1 1 342.351 2.364 20 10 EECDMM O=C(CNc1cc([N+](=O)[O-])c2cc[nH]c2n1)c1ccc([O-])c(O)c1 ZINC001159279472 1319715694 /nfs/dbraw/zinc/71/56/94/1319715694.db2.gz OWHZNKZMEITQRF-UHFFFAOYSA-N -1 1 328.284 2.177 20 10 EECDMM CC(=O)Nc1cccc(S(=O)(=O)Nc2c(F)cc([O-])cc2F)c1 ZINC001260811843 1319982623 /nfs/dbraw/zinc/98/26/23/1319982623.db2.gz KUUMUCYIWSCFRK-UHFFFAOYSA-N -1 1 342.323 2.430 20 10 EECDMM C[C@@H](NC(=O)c1coc(-c2nnn[n-]2)c1)c1ccc(N(C)C)cc1 ZINC001589948239 1349074572 /nfs/dbraw/zinc/07/45/72/1349074572.db2.gz JNPOIHHCJPYQLG-SNVBAGLBSA-N -1 1 326.360 2.017 20 10 EECDMM C[C@@H](NC(=O)c1coc(-c2nn[n-]n2)c1)c1ccc(N(C)C)cc1 ZINC001589948239 1349074577 /nfs/dbraw/zinc/07/45/77/1349074577.db2.gz JNPOIHHCJPYQLG-SNVBAGLBSA-N -1 1 326.360 2.017 20 10 EECDMM CO[C@@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)[C@@H](C(=O)[O-])C1 ZINC001606757274 1351351669 /nfs/dbraw/zinc/35/16/69/1351351669.db2.gz QCQAIVHMJZEBED-IAQYHMDHSA-N -1 1 328.359 2.095 20 10 EECDMM O=C(NCc1ccc(Cn2cccn2)cc1)c1c(F)ccc(O)c1[O-] ZINC000788275046 807467430 /nfs/dbraw/zinc/46/74/30/807467430.db2.gz DYKULSZEUCVQJW-UHFFFAOYSA-N -1 1 341.342 2.412 20 10 EECDMM COc1ccc(COCCNC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000790076269 808369051 /nfs/dbraw/zinc/36/90/51/808369051.db2.gz REMKIAYSCYIARM-UHFFFAOYSA-N -1 1 335.331 2.192 20 10 EECDMM COc1ccc(CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c(O)c1 ZINC000794376837 810803322 /nfs/dbraw/zinc/80/33/22/810803322.db2.gz BQXDZDSWTHDAGP-UHFFFAOYSA-N -1 1 331.372 2.258 20 10 EECDMM Cc1ccc(C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(O)c1O ZINC000177676317 463763654 /nfs/dbraw/zinc/76/36/54/463763654.db2.gz LRRUECFDSARTAB-ZNMIVQPWSA-N -1 1 348.443 2.120 20 10 EECDMM CC(=O)OC(C)(C)C(=O)NCc1cccc(Br)c1[O-] ZINC000277641538 463923672 /nfs/dbraw/zinc/92/36/72/463923672.db2.gz YCQPEQGTANCLMH-UHFFFAOYSA-N -1 1 330.178 2.113 20 10 EECDMM O=C(NCCN1CCc2sccc2C1)c1c(F)ccc(O)c1[O-] ZINC000276630651 465009088 /nfs/dbraw/zinc/00/90/88/465009088.db2.gz SMPCCNDOPNTGOX-UHFFFAOYSA-N -1 1 336.388 2.087 20 10 EECDMM Cc1cc(CC(=O)NCc2nn[n-]n2)c(C)n1-c1ccc(Cl)cc1 ZINC000732158276 577152259 /nfs/dbraw/zinc/15/22/59/577152259.db2.gz XFHQUNJRMMTEPG-UHFFFAOYSA-N -1 1 344.806 2.120 20 10 EECDMM O=C(NCc1cccc(Br)c1[O-])c1cccc(O)c1O ZINC000765750245 577506542 /nfs/dbraw/zinc/50/65/42/577506542.db2.gz CYVUNGGTGLFJIA-UHFFFAOYSA-N -1 1 338.157 2.496 20 10 EECDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000890757561 675592166 /nfs/dbraw/zinc/59/21/66/675592166.db2.gz HWWPQNLEKNZUOX-ZDUSSCGKSA-N -1 1 336.819 2.310 20 10 EECDMM O=C1COCC2(CN(Cc3c([O-])cccc3F)C2)N1CC1CCCC1 ZINC001273265135 1197885317 /nfs/dbraw/zinc/88/53/17/1197885317.db2.gz CRDANRKKHXZEGJ-UHFFFAOYSA-N -1 1 348.418 2.135 20 10 EECDMM CC(=O)NC[C@H]1CCCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000877675772 1200020908 /nfs/dbraw/zinc/02/09/08/1200020908.db2.gz UCXLWAOXSSFOFD-CYBMUJFWSA-N -1 1 341.795 2.444 20 10 EECDMM Cc1cc(S(=O)(=O)[N-]Cc2ccc(N(C)C)c(F)c2)sn1 ZINC000866672638 1201576519 /nfs/dbraw/zinc/57/65/19/1201576519.db2.gz PMAOMCYKUSOAQJ-UHFFFAOYSA-N -1 1 329.422 2.135 20 10 EECDMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)cc(O)cc2C)cc1 ZINC001191618772 1281497964 /nfs/dbraw/zinc/49/79/64/1281497964.db2.gz BJIYDAVYIGZQNL-UHFFFAOYSA-N -1 1 334.397 2.169 20 10 EECDMM C[C@H](NC(=O)c1ccc(O)c([O-])c1Cl)[C@H](O)c1cccc(O)c1 ZINC001193247512 1282401175 /nfs/dbraw/zinc/40/11/75/1282401175.db2.gz YZRVASKYEVCUAJ-RTHLEPHNSA-N -1 1 337.759 2.309 20 10 EECDMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(O)c(F)c2)c1 ZINC001193426963 1282505030 /nfs/dbraw/zinc/50/50/30/1282505030.db2.gz WWTILRIWUDNQTG-UHFFFAOYSA-N -1 1 339.344 2.427 20 10 EECDMM CC(=O)N(C)[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001235067143 1305103619 /nfs/dbraw/zinc/10/36/19/1305103619.db2.gz QXNLBKHSBQNTIL-GFCCVEGCSA-N -1 1 345.212 2.346 20 10 EECDMM CCOC(=O)[C@H]1CCN(Cc2c([O-])ccc(F)c2F)CCC1=O ZINC001233334713 1304435207 /nfs/dbraw/zinc/43/52/07/1304435207.db2.gz QPAZFTSJRZEFEU-JTQLQIEISA-N -1 1 327.327 2.015 20 10 EECDMM COc1cc([O-])c(CN2CCN(C(C)(C)C)C(=O)C2)c(Cl)c1 ZINC001236804494 1305680924 /nfs/dbraw/zinc/68/09/24/1305680924.db2.gz UWAXKFMRNCBZQP-UHFFFAOYSA-N -1 1 326.824 2.497 20 10 EECDMM COc1ccc(CN2CCCO2)c([O-])c1I ZINC001248481996 1310910035 /nfs/dbraw/zinc/91/00/35/1310910035.db2.gz NMQDIVJHJYOYLY-UHFFFAOYSA-N -1 1 335.141 2.143 20 10 EECDMM O=C(Nc1n[nH]c2c1CCCC2)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155221271 1317507401 /nfs/dbraw/zinc/50/74/01/1317507401.db2.gz AYEQDWKEESOIPR-UHFFFAOYSA-N -1 1 341.323 2.058 20 10 EECDMM O=C(Nc1cccc2nccnc21)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155228577 1317512334 /nfs/dbraw/zinc/51/23/34/1317512334.db2.gz RSWAMGLIPBWYPT-UHFFFAOYSA-N -1 1 349.302 2.400 20 10 EECDMM COC(=O)c1sccc1S(=O)(=O)Nc1c(F)cc([O-])cc1F ZINC001259012701 1319413793 /nfs/dbraw/zinc/41/37/93/1319413793.db2.gz VTHCXYWDAZAQHR-UHFFFAOYSA-N -1 1 349.336 2.319 20 10 EECDMM O=S(=O)([N-]c1ccc(CO)cc1Cl)c1cccc2nonc21 ZINC001260441891 1319890552 /nfs/dbraw/zinc/89/05/52/1319890552.db2.gz DYIURFWGCVTFSV-UHFFFAOYSA-N -1 1 339.760 2.169 20 10 EECDMM CSCC[C@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)[O-] ZINC001330275159 1334816397 /nfs/dbraw/zinc/81/63/97/1334816397.db2.gz RUFBPKQZHNNXQO-JTQLQIEISA-N -1 1 334.235 2.451 20 10 EECDMM Cc1nsc(N(C)C(=O)C=Cc2cnccc2C)c1-c1nnn[n-]1 ZINC001592277541 1349616593 /nfs/dbraw/zinc/61/65/93/1349616593.db2.gz PWIFVIHPALEMDN-SNAWJCMRSA-N -1 1 341.400 2.011 20 10 EECDMM Cc1nsc(N(C)C(=O)C=Cc2cnccc2C)c1-c1nn[n-]n1 ZINC001592277541 1349616595 /nfs/dbraw/zinc/61/65/95/1349616595.db2.gz PWIFVIHPALEMDN-SNAWJCMRSA-N -1 1 341.400 2.011 20 10 EECDMM O=C([O-])C1CC2(C1)C[N@@H+](Cc1c(O)cccc1Cl)C[C@@H]2C(=O)[O-] ZINC001601782115 1350363344 /nfs/dbraw/zinc/36/33/44/1350363344.db2.gz QXZDUQQQNSSFTC-JRKQCGKRSA-N -1 1 339.775 2.043 20 10 EECDMM O=C([O-])[C@@H]1CSCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC001601856724 1350381724 /nfs/dbraw/zinc/38/17/24/1350381724.db2.gz LIGOMNLLZDTZMS-JTQLQIEISA-N -1 1 346.246 2.404 20 10 EECDMM CO[C@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])[C@H](C(=O)[O-])C1 ZINC001606757693 1351352362 /nfs/dbraw/zinc/35/23/62/1351352362.db2.gz VASFGDGJUHTABV-JQWIXIFHSA-N -1 1 344.205 2.219 20 10 EECDMM COc1c([O-])c(CN2CC[S@](=O)C(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000825025251 788402040 /nfs/dbraw/zinc/40/20/40/788402040.db2.gz ZVIKMOYBKYKEMD-QHCPKHFHSA-N -1 1 342.417 2.042 20 10 EECDMM O=C(CC1Cc2ccccc2C1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001146809078 791497650 /nfs/dbraw/zinc/49/76/50/791497650.db2.gz VLWOZGUEJPNJPP-UHFFFAOYSA-N -1 1 325.364 2.202 20 10 EECDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916590292 797661819 /nfs/dbraw/zinc/66/18/19/797661819.db2.gz YTEOFGAIFLKOSZ-FPYGCLRLSA-N -1 1 343.291 2.445 20 10 EECDMM CCOc1cnc(NCC(=O)c2ccc([O-])c(O)c2)c([N+](=O)[O-])c1 ZINC001170316854 809887102 /nfs/dbraw/zinc/88/71/02/809887102.db2.gz RNQDPRYTIXVQAN-UHFFFAOYSA-N -1 1 333.300 2.095 20 10 EECDMM C[C@@H](NCc1ccccc1S(C)(=O)=O)c1cc(C(=O)[O-])ccc1O ZINC001593303616 994735759 /nfs/dbraw/zinc/73/57/59/994735759.db2.gz HVRCUNXFHLZLRO-LLVKDONJSA-N -1 1 349.408 2.345 20 10 EECDMM O=C(NCc1cccc(Br)c1[O-])c1cc2n(n1)CCC2 ZINC000296662820 465229558 /nfs/dbraw/zinc/22/95/58/465229558.db2.gz KBZYFZMAQPNHPE-UHFFFAOYSA-N -1 1 336.189 2.227 20 10 EECDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000189433308 464504190 /nfs/dbraw/zinc/50/41/90/464504190.db2.gz JLXPUUIXBAJPKD-UHFFFAOYSA-N -1 1 346.408 2.041 20 10 EECDMM C[C@@H](NC(=O)c1ncccc1[O-])c1ccc(N2CCOCC2)cc1 ZINC000725891319 576103628 /nfs/dbraw/zinc/10/36/28/576103628.db2.gz JWTKVEWGICTYFC-CYBMUJFWSA-N -1 1 327.384 2.115 20 10 EECDMM Cc1cc(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])c(F)cc1F ZINC000776434977 577459815 /nfs/dbraw/zinc/45/98/15/577459815.db2.gz UORXASBPSIHWPR-UHFFFAOYSA-N -1 1 343.307 2.478 20 10 EECDMM COC(=O)/C(C)=C/C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000831053147 601166054 /nfs/dbraw/zinc/16/60/54/601166054.db2.gz MCFFOCILIDTOFD-BJMVGYQFSA-N -1 1 327.764 2.052 20 10 EECDMM COC(=O)/C(C)=C/C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000831053147 601166057 /nfs/dbraw/zinc/16/60/57/601166057.db2.gz MCFFOCILIDTOFD-BJMVGYQFSA-N -1 1 327.764 2.052 20 10 EECDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc(N(C)C)cc1 ZINC000078804434 1210405430 /nfs/dbraw/zinc/40/54/30/1210405430.db2.gz VTBLFHNCICOHGK-UHFFFAOYSA-N -1 1 342.443 2.372 20 10 EECDMM COc1cc(O)ccc1[N-]S(=O)(=O)C[C@H](OC)C1CCCC1 ZINC000901704302 1236184106 /nfs/dbraw/zinc/18/41/06/1236184106.db2.gz PPYGQUDAHHIQKM-HNNXBMFYSA-N -1 1 329.418 2.348 20 10 EECDMM O=C(CNC(=O)c1ccccc1N1CCCC1)c1ccc([O-])c(O)c1 ZINC001191245441 1281284404 /nfs/dbraw/zinc/28/44/04/1281284404.db2.gz DUKMMUNQYSFTHD-UHFFFAOYSA-N -1 1 340.379 2.311 20 10 EECDMM O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1ccc([O-])cc1F ZINC000856213241 1293447374 /nfs/dbraw/zinc/44/73/74/1293447374.db2.gz ZUEWZWZLCDJGTH-UHFFFAOYSA-N -1 1 344.386 2.422 20 10 EECDMM COC(=O)C[C@@H](C)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227580427 1301896287 /nfs/dbraw/zinc/89/62/87/1301896287.db2.gz PNBJNCJVNQEZQU-SNVBAGLBSA-N -1 1 340.331 2.498 20 10 EECDMM C[C@H](OCCc1ccccc1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000837838441 1315112053 /nfs/dbraw/zinc/11/20/53/1315112053.db2.gz XWVCMUIRWSUGMZ-ZDUSSCGKSA-N -1 1 344.363 2.472 20 10 EECDMM Cc1cccc(N)c1NC(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155228422 1317512428 /nfs/dbraw/zinc/51/24/28/1317512428.db2.gz PANWTKCOKBWTII-UHFFFAOYSA-N -1 1 326.308 2.347 20 10 EECDMM Cc1cc(N2CCCC2)nc(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001159272382 1319711587 /nfs/dbraw/zinc/71/15/87/1319711587.db2.gz MFOIGJICJBOJCT-UHFFFAOYSA-N -1 1 328.372 2.091 20 10 EECDMM O=c1cccc(CN2C[C@H]3C[C@@H](C2)N3Cc2c([O-])ccc(F)c2F)[nH]1 ZINC001276471184 1322167038 /nfs/dbraw/zinc/16/70/38/1322167038.db2.gz CAAAMJHVKUUKFF-BETUJISGSA-N -1 1 347.365 2.230 20 10 EECDMM Cc1noc(NC(=O)NCc2cccc(Br)c2[O-])n1 ZINC001310478544 1331692696 /nfs/dbraw/zinc/69/26/96/1331692696.db2.gz FRMKRKDZJTUXIV-UHFFFAOYSA-N -1 1 327.138 2.168 20 10 EECDMM CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001609628585 1352045242 /nfs/dbraw/zinc/04/52/42/1352045242.db2.gz IVJJGGXABLOTHR-UHFFFAOYSA-N -1 1 349.364 2.023 20 10 EECDMM O=C([O-])c1occc1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC001610874123 1352289128 /nfs/dbraw/zinc/28/91/28/1352289128.db2.gz KODKWGKKMQXBDD-UHFFFAOYSA-N -1 1 334.347 2.243 20 10 EECDMM CCc1nc(N[C@H](C)c2cc(OC)ccc2O)cc(-c2nnn[n-]2)n1 ZINC001590917440 1349413217 /nfs/dbraw/zinc/41/32/17/1349413217.db2.gz WUQVLFYBNPBPHP-SECBINFHSA-N -1 1 341.375 2.106 20 10 EECDMM CCc1nc(N[C@H](C)c2cc(OC)ccc2O)cc(-c2nn[n-]n2)n1 ZINC001590917440 1349413219 /nfs/dbraw/zinc/41/32/19/1349413219.db2.gz WUQVLFYBNPBPHP-SECBINFHSA-N -1 1 341.375 2.106 20 10 EECDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1cc(Cl)ccc1O ZINC001592501175 1349638150 /nfs/dbraw/zinc/63/81/50/1349638150.db2.gz LAYZOCVKKMROFV-UHFFFAOYSA-N -1 1 333.735 2.057 20 10 EECDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1cc(Cl)ccc1O ZINC001592501175 1349638152 /nfs/dbraw/zinc/63/81/52/1349638152.db2.gz LAYZOCVKKMROFV-UHFFFAOYSA-N -1 1 333.735 2.057 20 10 EECDMM COc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)nc1Cl ZINC000784741097 1371438642 /nfs/dbraw/zinc/43/86/42/1371438642.db2.gz LLPFNHHLNDIKSD-UHFFFAOYSA-N -1 1 337.715 2.195 20 10 EECDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000837581980 1372792732 /nfs/dbraw/zinc/79/27/32/1372792732.db2.gz LXKARTZCLHQKMZ-GDPRMGEGSA-N -1 1 338.201 2.386 20 10 EECDMM O=C(c1c([O-])c(O)ccc1F)N1CCN(c2ccccc2F)CC1 ZINC000789938510 808280880 /nfs/dbraw/zinc/28/08/80/808280880.db2.gz DQGMVJVIQOJZNK-UHFFFAOYSA-N -1 1 334.322 2.338 20 10 EECDMM COc1ccc(CCNC(=O)c2c(F)ccc(O)c2[O-])cc1OC ZINC000789942003 808282539 /nfs/dbraw/zinc/28/25/39/808282539.db2.gz OXKWZJNBOVTTIB-UHFFFAOYSA-N -1 1 335.331 2.227 20 10 EECDMM COc1ccc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c(O)c1 ZINC000794386881 810810113 /nfs/dbraw/zinc/81/01/13/810810113.db2.gz DQAQJUAFBRJZSW-UHFFFAOYSA-N -1 1 345.399 2.432 20 10 EECDMM O=C([O-])[C@H]1[C@H](C[NH2+]Cc2cc(Br)ccc2[O-])C1(F)F ZINC000715324561 977742395 /nfs/dbraw/zinc/74/23/95/977742395.db2.gz HYLDIFOWCZZMQR-WCBMZHEXSA-N -1 1 336.132 2.210 20 10 EECDMM CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C[C@H]2CCCO2)C(=O)[O-])c1[O-] ZINC001589268568 985956443 /nfs/dbraw/zinc/95/64/43/985956443.db2.gz UYSUNMPQWVASAL-TZMCWYRMSA-N -1 1 341.791 2.360 20 10 EECDMM COc1ccc(O)c(CN2CCOc3cc(C(=O)[O-])ccc3C2)c1 ZINC001599598740 993784617 /nfs/dbraw/zinc/78/46/17/993784617.db2.gz RXRIOZCUXGJGCA-UHFFFAOYSA-N -1 1 329.352 2.494 20 10 EECDMM C[N@H+]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H](C(=O)[O-])C1 ZINC001598620269 993992542 /nfs/dbraw/zinc/99/25/42/993992542.db2.gz ZQFBLVHOJOHCLK-JTQLQIEISA-N -1 1 333.215 2.147 20 10 EECDMM COc1cccc(O)c1CN1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001599680550 994974609 /nfs/dbraw/zinc/97/46/09/994974609.db2.gz XJFWEDBJGVOSHD-UHFFFAOYSA-N -1 1 329.352 2.494 20 10 EECDMM CCOC(=O)[C@]1(C(C)C)CCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000295454585 464841946 /nfs/dbraw/zinc/84/19/46/464841946.db2.gz FHGRFDGYEINDHJ-QGZVFWFLSA-N -1 1 339.363 2.288 20 10 EECDMM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cccc2nsnc21 ZINC000019103170 485469703 /nfs/dbraw/zinc/46/97/03/485469703.db2.gz UBGQCKMQDFUTBK-UHFFFAOYSA-N -1 1 349.393 2.499 20 10 EECDMM CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(O)c(C)c2)ccc1[O-] ZINC000776748411 577467032 /nfs/dbraw/zinc/46/70/32/577467032.db2.gz GTVXCYPLZWHBKR-UHFFFAOYSA-N -1 1 336.369 2.165 20 10 EECDMM COc1cc(F)c([N-]S(=O)(=O)c2cccc3nonc32)cc1F ZINC000765101312 577494983 /nfs/dbraw/zinc/49/49/83/577494983.db2.gz XJRLXOFWMHYJJS-UHFFFAOYSA-N -1 1 341.295 2.310 20 10 EECDMM COC[C@@](C)(CC(=O)[O-])[NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000831579204 601490779 /nfs/dbraw/zinc/49/07/79/601490779.db2.gz XMENAUUHKIFYSZ-OAHLLOKOSA-N -1 1 329.780 2.218 20 10 EECDMM O=C(/C=C/COC1CCOCC1)NCc1cccc(Cl)c1[O-] ZINC000890763043 675601060 /nfs/dbraw/zinc/60/10/60/675601060.db2.gz NJVQMWRDRIJQLU-GORDUTHDSA-N -1 1 325.792 2.414 20 10 EECDMM COC(=O)c1ccc([O-])c([C@@H]2NC(=O)c3cccc(OC)c3O2)c1 ZINC000877843102 1200138781 /nfs/dbraw/zinc/13/87/81/1200138781.db2.gz MYLXEGBDQILEHV-MRXNPFEDSA-N -1 1 329.308 2.008 20 10 EECDMM NC(=O)C(=O)Nc1cccc(NCc2cc(Cl)cc(F)c2[O-])c1 ZINC000802655731 1237935332 /nfs/dbraw/zinc/93/53/32/1237935332.db2.gz AZLXSHBSXZTSNP-UHFFFAOYSA-N -1 1 337.738 2.221 20 10 EECDMM O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)c1c(F)ccc(O)c1[O-] ZINC000827081709 1249818291 /nfs/dbraw/zinc/81/82/91/1249818291.db2.gz QZCSTGVBOBWYGK-PSLIRLAXSA-N -1 1 327.377 2.021 20 10 EECDMM O=C(NCC(=O)c1ccc([O-])c(O)c1)Nc1cccc2nsnc21 ZINC001190324947 1280814168 /nfs/dbraw/zinc/81/41/68/1280814168.db2.gz YVIKMCKXDQJKPY-UHFFFAOYSA-N -1 1 344.352 2.107 20 10 EECDMM O=C(NCCc1cn2ccccc2n1)c1ccc(O)c([O-])c1Cl ZINC001193236727 1282394666 /nfs/dbraw/zinc/39/46/66/1282394666.db2.gz OXEFFBLMRFXOAB-UHFFFAOYSA-N -1 1 331.759 2.371 20 10 EECDMM O=C(NCc1cc(OCC2CC2)ncn1)c1ccc(O)c([O-])c1Cl ZINC001193247067 1282401111 /nfs/dbraw/zinc/40/11/11/1282401111.db2.gz JQLABKQFOKHHML-UHFFFAOYSA-N -1 1 349.774 2.260 20 10 EECDMM COC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(O)c([O-])c2Cl)C1 ZINC001193225670 1282413763 /nfs/dbraw/zinc/41/37/63/1282413763.db2.gz QNUNLAWKOPVBJD-HNNXBMFYSA-N -1 1 327.764 2.167 20 10 EECDMM CN(c1cc(F)c([O-])cc1F)S(=O)(=O)Cc1ccc(N)cc1 ZINC001215572047 1296942416 /nfs/dbraw/zinc/94/24/16/1296942416.db2.gz UMTKAWBNDHCYRU-UHFFFAOYSA-N -1 1 328.340 2.219 20 10 EECDMM Cc1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c(F)c1 ZINC000405006642 1297337317 /nfs/dbraw/zinc/33/73/17/1297337317.db2.gz NGJBIFLCGBNQFV-UHFFFAOYSA-N -1 1 325.317 2.339 20 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COc1ccc(NC(=O)NCC(=O)c2ccc([O-])c(O)c2)c(C)c1 ZINC001202735578 1369703464 /nfs/dbraw/zinc/70/34/64/1369703464.db2.gz WVLGUWJKCXIUQA-UHFFFAOYSA-N -1 1 330.340 2.419 20 10 EECDMM CCN(CC(=O)NC)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708138516 786752910 /nfs/dbraw/zinc/75/29/10/786752910.db2.gz BWQZTPHSYHWEES-UHFFFAOYSA-N -1 1 335.629 2.376 20 10 EECDMM Cc1cc2c[nH]nc2c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000785803760 806589166 /nfs/dbraw/zinc/58/91/66/806589166.db2.gz CTSPXPZMNNRPSR-UHFFFAOYSA-N -1 1 326.308 2.322 20 10 EECDMM O=C(NCCOc1ccc(Cl)cn1)c1c(F)ccc(O)c1[O-] ZINC000789991290 808320304 /nfs/dbraw/zinc/32/03/04/808320304.db2.gz YZCZDXVGVBRKAP-UHFFFAOYSA-N -1 1 326.711 2.094 20 10 EECDMM COC(=O)c1cc(NCC(=O)c2ccc([O-])c(O)c2)nc2[nH]ccc21 ZINC001170317099 809887981 /nfs/dbraw/zinc/88/79/81/809887981.db2.gz YVFCQDYMHCNAJU-UHFFFAOYSA-N -1 1 341.323 2.056 20 10 EECDMM CCS(=O)(CC)=NS(=O)(=O)Nc1ccc([O-])c(Cl)c1 ZINC000872361571 1198155885 /nfs/dbraw/zinc/15/58/85/1198155885.db2.gz 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20 10 EECDMM CN(C(=O)c1ccc(O)c([O-])c1Cl)[C@@H]1CCC2(C1)OCCO2 ZINC001193232697 1282393997 /nfs/dbraw/zinc/39/39/97/1282393997.db2.gz NOWLDQVGIVCBCJ-SECBINFHSA-N -1 1 327.764 2.119 20 10 EECDMM O=C(NCc1ccn(CC(F)(F)F)n1)c1ccc(O)c([O-])c1Cl ZINC001193247193 1282401028 /nfs/dbraw/zinc/40/10/28/1282401028.db2.gz ONECWYRLJKDOQZ-UHFFFAOYSA-N -1 1 349.696 2.440 20 10 EECDMM COc1ccc(CCC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1O ZINC000783257608 1304233094 /nfs/dbraw/zinc/23/30/94/1304233094.db2.gz YVEAUGWEMBUBHD-UHFFFAOYSA-N -1 1 346.335 2.171 20 10 EECDMM CO[C@](C)(C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1 ZINC000783533183 1304293812 /nfs/dbraw/zinc/29/38/12/1304293812.db2.gz KPRDILDQJOSZBX-SFHVURJKSA-N -1 1 330.336 2.386 20 10 EECDMM [O-]c1c(I)cccc1CN1CC(F)(F)C1 ZINC001237785730 1306091117 /nfs/dbraw/zinc/09/11/17/1306091117.db2.gz MHKRBGSLWXCAQI-UHFFFAOYSA-N -1 1 325.096 2.448 20 10 EECDMM O=C(CNC(=O)c1c[nH]c2nccc(Cl)c12)c1ccc([O-])c(O)c1 ZINC001153110297 1316778095 /nfs/dbraw/zinc/77/80/95/1316778095.db2.gz SJGCUZJTSOWFCQ-UHFFFAOYSA-N -1 1 345.742 2.240 20 10 EECDMM COc1cccc2c(C(=O)NCC(=O)c3ccc([O-])c(O)c3)c[nH]c21 ZINC001154881886 1317368499 /nfs/dbraw/zinc/36/84/99/1317368499.db2.gz HOICWMRYPIGGPF-UHFFFAOYSA-N -1 1 340.335 2.200 20 10 EECDMM COc1ccc(NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)c(C)n1 ZINC001155222428 1317507862 /nfs/dbraw/zinc/50/78/62/1317507862.db2.gz OQHHIUDFQISUQD-UHFFFAOYSA-N -1 1 342.307 2.169 20 10 EECDMM O=C(CNC(=O)c1cccc2cnsc21)c1ccc([O-])c(O)c1 ZINC001156671588 1318153560 /nfs/dbraw/zinc/15/35/60/1318153560.db2.gz XVHAEUCIDSVEQP-UHFFFAOYSA-N -1 1 328.349 2.320 20 10 EECDMM COc1cccc2cnc(NCC(=O)c3ccc([O-])c(O)c3)nc21 ZINC001159279711 1319715456 /nfs/dbraw/zinc/71/54/56/1319715456.db2.gz VEQAFXJSFTWVRT-UHFFFAOYSA-N -1 1 325.324 2.344 20 10 EECDMM O=C(CNc1ncnc2cccc([N+](=O)[O-])c21)c1ccc([O-])c(O)c1 ZINC001159280118 1319715725 /nfs/dbraw/zinc/71/57/25/1319715725.db2.gz AQGWNAPLHACKNG-UHFFFAOYSA-N -1 1 340.295 2.244 20 10 EECDMM CC(C)n1cnc2cnc(NCC(=O)c3ccc([O-])c(O)c3)nc21 ZINC001159280312 1319717067 /nfs/dbraw/zinc/71/70/67/1319717067.db2.gz KKSZVXICLNRZEE-UHFFFAOYSA-N -1 1 327.344 2.113 20 10 EECDMM O=S(=O)([N-]c1cc(O)ccc1Cl)c1cccc2nonc21 ZINC001260441608 1319891316 /nfs/dbraw/zinc/89/13/16/1319891316.db2.gz RMZIQBNLVDLPQQ-UHFFFAOYSA-N -1 1 325.733 2.383 20 10 EECDMM COc1cc(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2C)sn1 ZINC001309176467 1331619877 /nfs/dbraw/zinc/61/98/77/1331619877.db2.gz ZPHOIDQUSKWKKE-UHFFFAOYSA-N -1 1 341.458 2.005 20 10 EECDMM O=C(NCc1cccc(Cl)c1[O-])Nc1ccnc(OCCO)c1 ZINC001311029344 1331743949 /nfs/dbraw/zinc/74/39/49/1331743949.db2.gz OLXXURAKEJLVQI-UHFFFAOYSA-N -1 1 337.763 2.133 20 10 EECDMM Cc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1F ZINC000055126824 789076164 /nfs/dbraw/zinc/07/61/64/789076164.db2.gz QQUSTWHDMLWJHB-UHFFFAOYSA-N -1 1 338.360 2.464 20 10 EECDMM Nc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(F)(F)F)cc1N ZINC001176339930 798420523 /nfs/dbraw/zinc/42/05/23/798420523.db2.gz 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COc1c([O-])c(CN2CCn3nc(C4CC4)cc3C2)ccc1[N+](=O)[O-] ZINC000896940312 686000203 /nfs/dbraw/zinc/00/02/03/686000203.db2.gz XYVXYJJNMXMJAZ-UHFFFAOYSA-N -1 1 344.371 2.399 20 10 EECDMM COC[C@H]1c2nnn(C)c2CCN1Cc1cc(F)c(Cl)cc1[O-] ZINC001237936850 1306154381 /nfs/dbraw/zinc/15/43/81/1306154381.db2.gz GTQXBSXJERXTQB-ZDUSSCGKSA-N -1 1 340.786 2.059 20 10 EECDMM O=C([O-])C1(C[NH2+]Cc2c([O-])cccc2Br)CCOCC1 ZINC001118920555 1308959918 /nfs/dbraw/zinc/95/99/18/1308959918.db2.gz RPCWANPTLLKGPR-UHFFFAOYSA-N -1 1 344.205 2.126 20 10 EECDMM O=C(Cc1ccccc1)N1CCN(Cc2c([O-])cccc2F)CC1 ZINC001137840019 1314500072 /nfs/dbraw/zinc/50/00/72/1314500072.db2.gz PHIKYRFGPODOHL-UHFFFAOYSA-N -1 1 328.387 2.418 20 10 EECDMM O=S(=O)(Nc1cc(F)c([O-])c(F)c1)c1ccc2c(c1)CCO2 ZINC001259356184 1319535988 /nfs/dbraw/zinc/53/59/88/1319535988.db2.gz SPCXLJQUZOXPCI-UHFFFAOYSA-N -1 1 327.308 2.406 20 10 EECDMM O=C(CNC(F)(F)c1ccnc(Cl)n1)c1ccc([O-])c(O)c1 ZINC001159273378 1319711567 /nfs/dbraw/zinc/71/15/67/1319711567.db2.gz 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ZINC000782133041 757769519 /nfs/dbraw/zinc/76/95/19/757769519.db2.gz PEIOBNBPBLLWDY-UHFFFAOYSA-N -1 1 330.336 2.383 20 10 EECDMM CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@H](C)[S@]1=O ZINC000809698972 783287677 /nfs/dbraw/zinc/28/76/77/783287677.db2.gz JEHDCRJXOCBLFD-DRNJLYFOSA-N -1 1 342.417 2.040 20 10 EECDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000825499015 788654988 /nfs/dbraw/zinc/65/49/88/788654988.db2.gz VHZOVOUZDUBDOW-MRVPVSSYSA-N -1 1 337.269 2.420 20 10 EECDMM O=C(COc1ccc2c(c1)CCC2)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916590453 797661787 /nfs/dbraw/zinc/66/17/87/797661787.db2.gz BMZUUCFWGMVCQQ-UHFFFAOYSA-N -1 1 342.347 2.391 20 10 EECDMM Cc1cc2ccccc2n1CC(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001180431836 800410438 /nfs/dbraw/zinc/41/04/38/800410438.db2.gz JBMQGZWOJOILMJ-UHFFFAOYSA-N -1 1 338.363 2.360 20 10 EECDMM O=C(NCc1ccc(-n2ccnc2)cc1)c1c(F)ccc(O)c1[O-] ZINC000789981302 808312380 /nfs/dbraw/zinc/31/23/80/808312380.db2.gz XJTKGWCDQDKPMW-UHFFFAOYSA-N -1 1 327.315 2.353 20 10 EECDMM COC(=O)c1cc(OC)ccc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170315184 809886311 /nfs/dbraw/zinc/88/63/11/809886311.db2.gz SQFNOKZZQXUCKW-UHFFFAOYSA-N -1 1 331.324 2.188 20 10 EECDMM CN(C)c1ncc2cc(NCC(=O)c3ccc([O-])c(O)c3)ccc2n1 ZINC001170314906 809886645 /nfs/dbraw/zinc/88/66/45/809886645.db2.gz KHMMPGXQDKOBIG-UHFFFAOYSA-N -1 1 338.367 2.402 20 10 EECDMM CCN(CC)c1ccc(CNCc2c(C(=O)[O-])cnn2C)cc1F ZINC001589728998 950483098 /nfs/dbraw/zinc/48/30/98/950483098.db2.gz YFHZKDGLICSEBE-UHFFFAOYSA-N -1 1 334.395 2.393 20 10 EECDMM C[C@@H](NCc1nnc2n1CCCCC2)c1cc(C(=O)[O-])ccc1O ZINC001593318037 994826557 /nfs/dbraw/zinc/82/65/57/994826557.db2.gz YYZALNARLBBKJC-LLVKDONJSA-N -1 1 330.388 2.259 20 10 EECDMM C[C@H](NC(=O)NCc1cccc(Br)c1[O-])[C@@H]1CCOC1 ZINC000277349123 463912287 /nfs/dbraw/zinc/91/22/87/463912287.db2.gz GGECYHQGUUSHEO-GXSJLCMTSA-N -1 1 343.221 2.379 20 10 EECDMM CCCC[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])C(=O)OC ZINC000278547008 463969302 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/nfs/dbraw/zinc/49/35/93/1331493593.db2.gz JNPFEJGPCOMTFU-UHFFFAOYSA-N -1 1 348.359 2.084 20 10 EECDMM O=C([O-])c1n[nH]c2c1CN(Cc1c(O)ccc(Cl)c1F)CC2 ZINC001608993962 1351810164 /nfs/dbraw/zinc/81/01/64/1351810164.db2.gz GHFFJEKBSLLMLN-UHFFFAOYSA-N -1 1 325.727 2.164 20 10 EECDMM COC(=O)NC1CN(Cc2cc(C)cc(Br)c2[O-])C1 ZINC001344567860 1337400878 /nfs/dbraw/zinc/40/08/78/1337400878.db2.gz LQBYKHGTGVRCQU-UHFFFAOYSA-N -1 1 329.194 2.003 20 10 EECDMM C[C@H](NCc1nc(CN(C)C)cs1)c1cc(C(=O)[O-])ccc1O ZINC001604348926 1350921435 /nfs/dbraw/zinc/92/14/35/1350921435.db2.gz KAHCDWZJHUVOJO-JTQLQIEISA-N -1 1 335.429 2.459 20 10 EECDMM O=C(NCC(=O)c1ccc([O-])c(O)c1)c1ccoc1C(F)(F)F ZINC001187724970 1368259812 /nfs/dbraw/zinc/25/98/12/1368259812.db2.gz KNACGQNIBVKDCH-UHFFFAOYSA-N -1 1 329.230 2.322 20 10 EECDMM C[S@@](=O)Cc1cccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000782222093 1371271765 /nfs/dbraw/zinc/27/17/65/1371271765.db2.gz YCUIFBBOCCKYOQ-XMMPIXPASA-N -1 1 348.376 2.016 20 10 EECDMM 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342.411 2.066 20 10 EECDMM CC(C)(C)NC(=O)c1[nH]nc2c1CN(Cc1c([O-])cccc1F)CC2 ZINC001277484145 1303611442 /nfs/dbraw/zinc/61/14/42/1303611442.db2.gz KPEQMXUQLBOKNU-UHFFFAOYSA-N -1 1 346.406 2.341 20 10 EECDMM CCOC[C@H]1CN(Cc2cccc(F)c2[O-])Cc2nnn(CC)c21 ZINC001138124921 1314549338 /nfs/dbraw/zinc/54/93/38/1314549338.db2.gz DLQLEVNWEDNBRC-CYBMUJFWSA-N -1 1 334.395 2.279 20 10 EECDMM O=C(COC(=O)[C@@H]1CCN(c2ccccc2)C1)c1ccc([O-])c(O)c1 ZINC000837854787 1315113579 /nfs/dbraw/zinc/11/35/79/1315113579.db2.gz JEEMIPBKDLAJAN-CQSZACIVSA-N -1 1 341.363 2.350 20 10 EECDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1O ZINC001259090488 1319437427 /nfs/dbraw/zinc/43/74/27/1319437427.db2.gz XBIMJSLWBXSGSE-UHFFFAOYSA-N -1 1 343.307 2.258 20 10 EECDMM O=C(CNc1nc(Cl)nc2[nH]cc(F)c21)c1ccc([O-])c(O)c1 ZINC001159271884 1319711051 /nfs/dbraw/zinc/71/10/51/1319711051.db2.gz GTBIQUMIZZAGDH-UHFFFAOYSA-N -1 1 336.710 2.456 20 10 EECDMM CCOC(=O)c1c(C)ccnc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001159279220 1319714739 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Oc1ccccc1CN(Cc1ccco1)c1cc(-c2nn[n-]n2)ncn1 ZINC001609611552 1352036713 /nfs/dbraw/zinc/03/67/13/1352036713.db2.gz JKOIWCPHXJXAKH-UHFFFAOYSA-N -1 1 349.354 2.162 20 10 EECDMM O=C(NCc1cccc(Cl)c1[O-])c1csc(-c2nn[nH]n2)c1 ZINC001593145180 1349742439 /nfs/dbraw/zinc/74/24/39/1349742439.db2.gz ZNRVTHRMRNXPFU-UHFFFAOYSA-N -1 1 335.776 2.217 20 10 EECDMM CC[C@@H](NCc1nnc2c(=O)[nH]ccn12)c1cccc(Cl)c1[O-] ZINC000886704622 1369648478 /nfs/dbraw/zinc/64/84/78/1369648478.db2.gz KMNYWZRQXLABAS-LLVKDONJSA-N -1 1 333.779 2.018 20 10 EECDMM O=C(COC(=O)c1cc2c([nH]c1=O)CCCC2)c1ccc([O-])c(O)c1 ZINC000783607928 1371360650 /nfs/dbraw/zinc/36/06/50/1371360650.db2.gz SZAFIMAQHHUTHA-UHFFFAOYSA-N -1 1 343.335 2.117 20 10 EECDMM Cc1ccc(C)c(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)c1 ZINC000920976188 770929200 /nfs/dbraw/zinc/92/92/00/770929200.db2.gz JESKGUBRAWMPSY-MDWZMJQESA-N -1 1 331.441 2.499 20 10 EECDMM CN(Cc1cccc(Cl)c1[O-])Cc1ccccc1S(N)(=O)=O ZINC000816626989 784139584 /nfs/dbraw/zinc/13/95/84/784139584.db2.gz BLBDPUVKEQDGRL-UHFFFAOYSA-N -1 1 340.832 2.325 20 10 EECDMM CCc1cc(C(=O)NCc2cccc(Br)c2[O-])n(C)n1 ZINC000822458573 787217598 /nfs/dbraw/zinc/21/75/98/787217598.db2.gz JPTFPWPHSILHPL-UHFFFAOYSA-N -1 1 338.205 2.381 20 10 EECDMM CCN(Cc1ccccc1)C(=O)CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000789963010 808297992 /nfs/dbraw/zinc/29/79/92/808297992.db2.gz FALFPIJOUFRXIH-UHFFFAOYSA-N -1 1 346.358 2.015 20 10 EECDMM COC(=O)c1cc2cc(NCC(=O)c3ccc([O-])c(O)c3)ncc2o1 ZINC001170316655 809887575 /nfs/dbraw/zinc/88/75/75/809887575.db2.gz WQOMQTKZRRRIQA-UHFFFAOYSA-N -1 1 342.307 2.320 20 10 EECDMM COC(=O)Cc1ccc(NCC(=O)c2ccc([O-])c(O)c2)c(OC)c1 ZINC001170322983 809890963 /nfs/dbraw/zinc/89/09/63/809890963.db2.gz RCXCMXLQRRZBMC-UHFFFAOYSA-N -1 1 345.351 2.117 20 10 EECDMM O=C([O-])c1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)[nH]n1 ZINC001605793483 972508433 /nfs/dbraw/zinc/50/84/33/972508433.db2.gz QGCLQGWSLYIYHD-UHFFFAOYSA-N -1 1 330.127 2.050 20 10 EECDMM C[C@H]([NH2+]CCC(=O)NCCC(=O)[O-])c1ccc2ccccc2c1[O-] ZINC001593262860 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Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N[C@@H](C)C3CC3)cc12 ZINC001184361327 801981311 /nfs/dbraw/zinc/98/13/11/801981311.db2.gz FZVXFHLHOWWHNO-LBPRGKRZSA-N -1 1 344.411 2.154 20 10 EECDMM O=C(NCc1ccccc1N1CCOCC1)c1c(F)ccc(O)c1[O-] ZINC000789963550 808296905 /nfs/dbraw/zinc/29/69/05/808296905.db2.gz CLIPJVJNVDGXDW-UHFFFAOYSA-N -1 1 346.358 2.004 20 10 EECDMM Nc1cc(NCC(=O)c2ccc([O-])c(O)c2)nc(C(F)(F)F)c1 ZINC001170316817 809887261 /nfs/dbraw/zinc/88/72/61/809887261.db2.gz PQWGQOXEDNSOGN-UHFFFAOYSA-N -1 1 327.262 2.389 20 10 EECDMM O=C([O-])C[C@@]1([NH2+]Cc2c([O-])cccc2Br)CCCOC1 ZINC001601936425 1118761503 /nfs/dbraw/zinc/76/15/03/1118761503.db2.gz PYWNUGYJOTVIIO-AWEZNQCLSA-N -1 1 344.205 2.268 20 10 EECDMM CCC(=O)N[C@H](CCSC)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890757689 675592470 /nfs/dbraw/zinc/59/24/70/675592470.db2.gz IGNQMDKGSWXUIU-GFCCVEGCSA-N -1 1 344.864 2.310 20 10 EECDMM COC(=O)CCCC(=O)NCc1cccc(Br)c1[O-] ZINC000277601843 463921823 /nfs/dbraw/zinc/92/18/23/463921823.db2.gz XALXPHMUFAXXED-UHFFFAOYSA-N -1 1 330.178 2.114 20 10 EECDMM CCOCCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000278482291 463966512 /nfs/dbraw/zinc/96/65/12/463966512.db2.gz YAGOJZAEWBZNBU-UHFFFAOYSA-N -1 1 331.210 2.381 20 10 EECDMM COc1c([O-])c(CN2CCC[C@@H]2c2nc(C)no2)ccc1[N+](=O)[O-] ZINC000289138525 464068010 /nfs/dbraw/zinc/06/80/10/464068010.db2.gz AAYSFAAOPHVTMB-GFCCVEGCSA-N -1 1 334.332 2.338 20 10 EECDMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc(N(C)C)cc1 ZINC000266963374 464887662 /nfs/dbraw/zinc/88/76/62/464887662.db2.gz ISJZEVPCIOLGQY-UHFFFAOYSA-N -1 1 332.429 2.209 20 10 EECDMM c1cnc(-c2nnn[n-]2)c(NCc2ccc(N3CCCCC3)cc2)n1 ZINC000738446414 578015601 /nfs/dbraw/zinc/01/56/01/578015601.db2.gz XUUCLDDYOQSMMQ-UHFFFAOYSA-N -1 1 336.403 2.259 20 10 EECDMM c1cnc(-c2nn[n-]n2)c(NCc2ccc(N3CCCCC3)cc2)n1 ZINC000738446414 578015602 /nfs/dbraw/zinc/01/56/02/578015602.db2.gz XUUCLDDYOQSMMQ-UHFFFAOYSA-N -1 1 336.403 2.259 20 10 EECDMM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)CCc1ccccc1 ZINC000775286958 577434106 /nfs/dbraw/zinc/43/41/06/577434106.db2.gz RZNOYIDGKBXGMB-UHFFFAOYSA-N -1 1 335.381 2.163 20 10 EECDMM O=C1NCCN1[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775658262 577441982 /nfs/dbraw/zinc/44/19/82/577441982.db2.gz MLHPWNAWGYKJHL-GFCCVEGCSA-N -1 1 327.787 2.174 20 10 EECDMM C[C@@]1(CNC(=O)NCc2cccc(Br)c2[O-])CCOC1 ZINC000764780263 577488408 /nfs/dbraw/zinc/48/84/08/577488408.db2.gz NIAYTMKBIFKDCV-AWEZNQCLSA-N -1 1 343.221 2.381 20 10 EECDMM NC(=O)C1CCN(c2cccc(NC(=O)c3ccccc3[O-])c2)CC1 ZINC000740128224 578081927 /nfs/dbraw/zinc/08/19/27/578081927.db2.gz LUXJMNUINQIHEI-UHFFFAOYSA-N -1 1 339.395 2.346 20 10 EECDMM COc1cccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1O ZINC000821867670 606464508 /nfs/dbraw/zinc/46/45/08/606464508.db2.gz IZMDKQWZWIFHOC-UHFFFAOYSA-N -1 1 332.751 2.241 20 10 EECDMM COc1cccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1O ZINC000821867670 606464510 /nfs/dbraw/zinc/46/45/10/606464510.db2.gz IZMDKQWZWIFHOC-UHFFFAOYSA-N -1 1 332.751 2.241 20 10 EECDMM COC(=O)N1CCC[C@@H](NC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000892672604 682243077 /nfs/dbraw/zinc/24/30/77/682243077.db2.gz QQWHERMSILXBEH-LLVKDONJSA-N -1 1 341.795 2.076 20 10 EECDMM COC(=O)c1ccc([O-])c([C@H]2NC(=O)c3cccc(OC)c3O2)c1 ZINC000877843101 1200139319 /nfs/dbraw/zinc/13/93/19/1200139319.db2.gz MYLXEGBDQILEHV-INIZCTEOSA-N -1 1 329.308 2.008 20 10 EECDMM CC(=O)c1cc(Cl)cc(CN2CCc3c(=O)[nH]n(C)c3C2)c1[O-] ZINC000931199608 1206614964 /nfs/dbraw/zinc/61/49/64/1206614964.db2.gz DDMZHGKPFMEGNX-UHFFFAOYSA-N -1 1 335.791 2.246 20 10 EECDMM Cc1nnc(CNCc2cc(Br)cc(F)c2[O-])n1C ZINC000715818726 1277767301 /nfs/dbraw/zinc/76/73/01/1277767301.db2.gz QUCBWSUGJKAFIN-UHFFFAOYSA-N -1 1 329.173 2.021 20 10 EECDMM COc1nc(S(=O)(=O)Nc2c(F)cc([O-])cc2F)ccc1F ZINC001190105702 1280659846 /nfs/dbraw/zinc/65/98/46/1280659846.db2.gz RSVKHQSNPFDHOU-UHFFFAOYSA-N -1 1 334.275 2.014 20 10 EECDMM O=S(=O)(Nc1c(F)cc([O-])cc1F)c1ccc2nccnc2c1 ZINC001198153165 1284997234 /nfs/dbraw/zinc/99/72/34/1284997234.db2.gz JPIPLAYTXFYCLA-UHFFFAOYSA-N -1 1 337.307 2.414 20 10 EECDMM O=C1c2ccccc2C(=O)c2c(O)c([O-])cc(O[C@@H]3CCCOC3)c21 ZINC001229196628 1302666064 /nfs/dbraw/zinc/66/60/64/1302666064.db2.gz HMIULOZPJJCJKT-SNVBAGLBSA-N -1 1 340.331 2.431 20 10 EECDMM COC[C@H](C)Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O ZINC001229196781 1302666331 /nfs/dbraw/zinc/66/63/31/1302666331.db2.gz HTUOARNJDHCHAN-VIFPVBQESA-N -1 1 328.320 2.287 20 10 EECDMM [O-]c1c(CN2CC[C@H](Oc3ncc(F)cn3)C2)ccc(F)c1F ZINC001233079830 1304354429 /nfs/dbraw/zinc/35/44/29/1304354429.db2.gz LIIPTFVUAGUMNG-NSHDSACASA-N -1 1 325.290 2.253 20 10 EECDMM CC(=O)N(C)[C@@H]1CCN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235304909 1305185394 /nfs/dbraw/zinc/18/53/94/1305185394.db2.gz FOOGIMUVROLCOL-GFCCVEGCSA-N -1 1 345.212 2.346 20 10 EECDMM O=S(=O)(Nc1cncc(CO)c1)c1cc(Cl)cc(Cl)c1[O-] ZINC001251394139 1317454692 /nfs/dbraw/zinc/45/46/92/1317454692.db2.gz CYBCJNLIXOMVCT-UHFFFAOYSA-N -1 1 349.195 2.387 20 10 EECDMM CC[C@@](COC)(NCc1cc(Cl)cc(C(C)=O)c1[O-])C(=O)OC ZINC000839114806 1372895565 /nfs/dbraw/zinc/89/55/65/1372895565.db2.gz WWROZXGPJYUYLM-INIZCTEOSA-N -1 1 343.807 2.306 20 10 EECDMM O=S(=O)([N-]c1ccc(F)c(F)c1F)c1cccc2nonc21 ZINC000001038801 1368429764 /nfs/dbraw/zinc/42/97/64/1368429764.db2.gz BPFKORKSHLVFIQ-UHFFFAOYSA-N -1 1 329.259 2.441 20 10 EECDMM COCCOc1cc(NC(=O)c2ccc(O)c([O-])c2Cl)ccn1 ZINC001193219518 1368445291 /nfs/dbraw/zinc/44/52/91/1368445291.db2.gz JLCKAIVYOJGUQP-UHFFFAOYSA-N -1 1 338.747 2.424 20 10 EECDMM Cc1nc(NCCCSc2nccs2)cc(-c2nnn[n-]2)n1 ZINC001592390560 1404026975 /nfs/dbraw/zinc/02/69/75/1404026975.db2.gz QSGPCDMIGWDAAM-UHFFFAOYSA-N -1 1 334.434 2.016 20 10 EECDMM Cc1nc(NCCCSc2nccs2)cc(-c2nn[n-]n2)n1 ZINC001592390560 1404026986 /nfs/dbraw/zinc/02/69/86/1404026986.db2.gz QSGPCDMIGWDAAM-UHFFFAOYSA-N -1 1 334.434 2.016 20 10 EECDMM O=C(COC(=O)c1ccc(NC2CC2)nc1)c1ccc([O-])c(O)c1 ZINC000783098775 765338642 /nfs/dbraw/zinc/33/86/42/765338642.db2.gz PICKKVQDSFJOPM-UHFFFAOYSA-N -1 1 328.324 2.107 20 10 EECDMM CCN(CC)c1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000918111248 768905747 /nfs/dbraw/zinc/90/57/47/768905747.db2.gz JDZPAVGYMLRLML-UHFFFAOYSA-N -1 1 344.371 2.472 20 10 EECDMM NC(=O)CCNC(=O)c1ccc(NCc2cccc(Cl)c2[O-])cc1 ZINC000816620213 784156272 /nfs/dbraw/zinc/15/62/72/784156272.db2.gz MRCLPDKBIWJVOT-UHFFFAOYSA-N -1 1 347.802 2.263 20 10 EECDMM C[C@@H]1C[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)O[C@H]1C(=O)[O-] ZINC000911744917 787682566 /nfs/dbraw/zinc/68/25/66/787682566.db2.gz OONKKZPWUDIGLK-KXHDPYLZSA-N -1 1 348.182 2.193 20 10 EECDMM COC(=O)c1cc2ncoc2c(NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001170322690 809890189 /nfs/dbraw/zinc/89/01/89/809890189.db2.gz MDFNGZCHDBNUOT-UHFFFAOYSA-N -1 1 342.307 2.320 20 10 EECDMM CN1CCN(C(=O)c2c(F)ccc(O)c2[O-])C[C@@H]1Cc1ccccc1 ZINC000296016874 465051636 /nfs/dbraw/zinc/05/16/36/465051636.db2.gz MVTDZHVJXSPFEB-AWEZNQCLSA-N -1 1 344.386 2.236 20 10 EECDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@@]23CCOC3)c1[O-] ZINC000193710825 463730940 /nfs/dbraw/zinc/73/09/40/463730940.db2.gz ZBEPPKXNSZIHOL-INIZCTEOSA-N -1 1 325.792 2.240 20 10 EECDMM CN(C)c1ccc(CN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000186786685 464064899 /nfs/dbraw/zinc/06/48/99/464064899.db2.gz SIICADGDUYXQIA-UHFFFAOYSA-N -1 1 330.344 2.034 20 10 EECDMM Cc1cc(Br)cc(C[N@H+](C)[C@@H]2CCN(C)C2=O)c1O ZINC000271742942 464371814 /nfs/dbraw/zinc/37/18/14/464371814.db2.gz AGCOUAZVCIQKLO-GFCCVEGCSA-N -1 1 327.222 2.126 20 10 EECDMM CC[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])NC(=O)OC(C)(C)C ZINC000295857220 464988455 /nfs/dbraw/zinc/98/84/55/464988455.db2.gz STXNNIUXFBZGDN-VIFPVBQESA-N -1 1 342.367 2.270 20 10 EECDMM COC(C)(C)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764789457 577488577 /nfs/dbraw/zinc/48/85/77/577488577.db2.gz FIWHZNBDXKEVSU-UHFFFAOYSA-N -1 1 331.210 2.379 20 10 EECDMM COCc1cc(C(=O)NCc2cccc(Br)c2[O-])no1 ZINC000765758567 577506719 /nfs/dbraw/zinc/50/67/19/577506719.db2.gz ZEKIMZZSKBQGMG-UHFFFAOYSA-N -1 1 341.161 2.219 20 10 EECDMM CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000833506290 604769557 /nfs/dbraw/zinc/76/95/57/604769557.db2.gz XBSUDCHDLAWTTH-GFCCVEGCSA-N -1 1 346.221 2.465 20 10 EECDMM CC(=O)c1cc(Cl)cc(CN2C[C@@H](CO)OC(C)(C)C2)c1[O-] ZINC000319357693 684790472 /nfs/dbraw/zinc/79/04/72/684790472.db2.gz GKBHCMOZXNRJKB-ZDUSSCGKSA-N -1 1 327.808 2.220 20 10 EECDMM [O-]c1cc(F)c(F)cc1CN1CCN(c2ccc(Cl)nn2)CC1 ZINC001142527553 1188227954 /nfs/dbraw/zinc/22/79/54/1188227954.db2.gz YUYXYVHNTCKRNB-UHFFFAOYSA-N -1 1 340.761 2.436 20 10 EECDMM O=C(Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)c1ccc([O-])c(O)c1 ZINC000813578766 1199094358 /nfs/dbraw/zinc/09/43/58/1199094358.db2.gz FMSNLSNFGHWRBH-UHFFFAOYSA-N -1 1 340.291 2.204 20 10 EECDMM CCn1ccnc1CN1CC2(C1)CN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001275775272 1205521687 /nfs/dbraw/zinc/52/16/87/1205521687.db2.gz YDOSUBZLZIFZKH-UHFFFAOYSA-N -1 1 348.397 2.205 20 10 EECDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCC2(C[C@@H](F)CO2)CC1 ZINC001193233153 1282393885 /nfs/dbraw/zinc/39/38/85/1282393885.db2.gz VTCYQFKUEMNYHS-SECBINFHSA-N -1 1 329.755 2.484 20 10 EECDMM Cc1c([O-])cc2c(c1O[C@@H](C)CON)C(=O)c1ccccc1C2=O ZINC001229829117 1302959699 /nfs/dbraw/zinc/95/96/99/1302959699.db2.gz MPDCVGRLWIQGTK-VIFPVBQESA-N -1 1 327.336 2.134 20 10 EECDMM O=C(N[C@@H]1CCCN(Cc2ccc(F)c(F)c2[O-])C1)N1CCCC1 ZINC001233080665 1304354810 /nfs/dbraw/zinc/35/48/10/1304354810.db2.gz ZOHCMQKUUHOCFD-CYBMUJFWSA-N -1 1 339.386 2.440 20 10 EECDMM CCOC(=O)c1cnc2n1CCN(Cc1cccc(F)c1[O-])[C@@H]2C ZINC001138130991 1314550718 /nfs/dbraw/zinc/55/07/18/1314550718.db2.gz MYNLPBNDTQXITD-LLVKDONJSA-N -1 1 333.363 2.481 20 10 EECDMM O=C(Nc1cccc2nccn21)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155218043 1317506206 /nfs/dbraw/zinc/50/62/06/1317506206.db2.gz FNOJTCXAOOTTSK-UHFFFAOYSA-N -1 1 337.291 2.104 20 10 EECDMM C[C@@H](NC(=O)c1cc2cc(O)c([O-])cc2oc1=O)c1ccncc1 ZINC001155218552 1317506287 /nfs/dbraw/zinc/50/62/87/1317506287.db2.gz WGMIXODENKPFCM-SECBINFHSA-N -1 1 326.308 2.090 20 10 EECDMM Cc1nc(NCC(=O)c2ccc([O-])c(O)c2)cc(N2CCCC2)n1 ZINC001159271530 1319711031 /nfs/dbraw/zinc/71/10/31/1319711031.db2.gz BKDMDBISNCISBK-UHFFFAOYSA-N -1 1 328.372 2.091 20 10 EECDMM O=C(CNc1nc(Cl)nc2c1SCC2)c1ccc([O-])c(O)c1 ZINC001159276798 1319714340 /nfs/dbraw/zinc/71/43/40/1319714340.db2.gz MCQZQSLIDFPTLH-UHFFFAOYSA-N -1 1 337.788 2.484 20 10 EECDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1O ZINC001309769031 1331641236 /nfs/dbraw/zinc/64/12/36/1331641236.db2.gz MTNYFYGFTKLHRW-VIFPVBQESA-N -1 1 340.332 2.479 20 10 EECDMM O=C(COC(=O)c1csc([C@H]2CCCO2)n1)c1ccc([O-])c(O)c1 ZINC000784381101 1371402002 /nfs/dbraw/zinc/40/20/02/1371402002.db2.gz REGKNFIUZCROCY-CQSZACIVSA-N -1 1 349.364 2.446 20 10 EECDMM O=C1[N-]C(=S)SC1=Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000920242145 770643992 /nfs/dbraw/zinc/64/39/92/770643992.db2.gz XGLDHKJGKDPJFQ-WCIBSUBMSA-N -1 1 331.378 2.294 20 10 EECDMM CC(C)CC[C@@H](C)NC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000920975887 770928095 /nfs/dbraw/zinc/92/80/95/770928095.db2.gz BMCPAUJOKZNGLM-FMNNIJNLSA-N -1 1 325.478 2.184 20 10 EECDMM O=C(NCCC1=CCN(c2cccc(F)n2)CC1)c1ncccc1[O-] ZINC001089822475 777074774 /nfs/dbraw/zinc/07/47/74/777074774.db2.gz FVRTUBOBLPONJM-UHFFFAOYSA-N -1 1 342.374 2.278 20 10 EECDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000893978707 780362218 /nfs/dbraw/zinc/36/22/18/780362218.db2.gz FFYZECNHRPSGEA-MLGOLLRUSA-N -1 1 340.807 2.183 20 10 EECDMM CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@H](C)[S@@]1=O ZINC000809698970 783286940 /nfs/dbraw/zinc/28/69/40/783286940.db2.gz JEHDCRJXOCBLFD-FNIMQGLVSA-N -1 1 342.417 2.040 20 10 EECDMM CCc1nnc(C(=O)NCc2cccc(Br)c2[O-])s1 ZINC000907758371 784843362 /nfs/dbraw/zinc/84/33/62/784843362.db2.gz PWEOVSJSEKQKIR-UHFFFAOYSA-N -1 1 342.218 2.499 20 10 EECDMM C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000817881205 785043350 /nfs/dbraw/zinc/04/33/50/785043350.db2.gz HCYBYNAZTPLDEB-PSASIEDQSA-N -1 1 328.752 2.496 20 10 EECDMM O=C(CNc1ccnc(-c2cncs2)n1)c1ccc([O-])c(O)c1 ZINC001170316093 809887401 /nfs/dbraw/zinc/88/74/01/809887401.db2.gz LGAHCUIMMTXYFC-UHFFFAOYSA-N -1 1 328.353 2.306 20 10 EECDMM CCN(CC)c1ccc(CN2CCC([C@H](O)C(=O)[O-])CC2)cc1F ZINC001596289053 983709205 /nfs/dbraw/zinc/70/92/05/983709205.db2.gz CLYGNDGPHQELFH-KRWDZBQOSA-N -1 1 338.423 2.329 20 10 EECDMM COC[C@](C)(CC(=O)[O-])[NH2+]Cc1c([O-])cccc1Br ZINC001599149336 998267748 /nfs/dbraw/zinc/26/77/48/998267748.db2.gz FHKNYKACDFRQGM-ZDUSSCGKSA-N -1 1 332.194 2.124 20 10 EECDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](S(C)(=O)=O)C2)c1[O-] ZINC000274250071 464739072 /nfs/dbraw/zinc/73/90/72/464739072.db2.gz ZMOMWHRRHOKFJY-ZDUSSCGKSA-N -1 1 345.848 2.257 20 10 EECDMM C[C@@H](C(=O)NCc1cccc(Br)c1[O-])c1cnn(C)c1 ZINC000765737277 577506293 /nfs/dbraw/zinc/50/62/93/577506293.db2.gz TYZAQQMTZPMCMW-SECBINFHSA-N -1 1 338.205 2.308 20 10 EECDMM Cc1nc(C)c(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1 ZINC000757392461 577859521 /nfs/dbraw/zinc/85/95/21/577859521.db2.gz 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COC(=O)[C@@H]1CC(F)(F)CN1Cc1c([O-])cc(OC)cc1Cl ZINC001236802987 1305682125 /nfs/dbraw/zinc/68/21/25/1305682125.db2.gz LUTBLWPKJUMSGN-NSHDSACASA-N -1 1 335.734 2.437 20 10 EECDMM C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1cccc(I)c1O ZINC001237776759 1306084115 /nfs/dbraw/zinc/08/41/15/1306084115.db2.gz LCHMAGOEBOZECC-KOLCDFICSA-N -1 1 347.196 2.342 20 10 EECDMM Oc1cccc(F)c1C[N@H+]1CCc2nnc(Cn3cccc3)n2CC1 ZINC001137834344 1314499743 /nfs/dbraw/zinc/49/97/43/1314499743.db2.gz CYYVCPCIDBNKDJ-UHFFFAOYSA-N -1 1 341.390 2.031 20 10 EECDMM COc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(-n2cccn2)cc1 ZINC001259370123 1319542986 /nfs/dbraw/zinc/54/29/86/1319542986.db2.gz CVOMAFHSXOUPGK-UHFFFAOYSA-N -1 1 345.380 2.387 20 10 EECDMM O=S(=O)([N-]c1cc(F)c(O)c(F)c1)c1cccc2nonc21 ZINC001260440659 1319889863 /nfs/dbraw/zinc/88/98/63/1319889863.db2.gz BWUFNKMOLDEMHK-UHFFFAOYSA-N -1 1 327.268 2.007 20 10 EECDMM O=C([O-])C[C@]1([NH2+]Cc2cc(Br)ccc2[O-])CCCOC1 ZINC001601936080 1350401237 /nfs/dbraw/zinc/40/12/37/1350401237.db2.gz 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/nfs/dbraw/zinc/38/18/95/1282381895.db2.gz IPXXZXRPJZUYOD-UHFFFAOYSA-N -1 1 331.719 2.184 20 10 EECDMM O=C(CNC(=O)c1ncc(-c2ccccc2)cn1)c1ccc([O-])c(O)c1 ZINC001197252886 1284522191 /nfs/dbraw/zinc/52/21/91/1284522191.db2.gz GQTVXMLGUQTRMM-UHFFFAOYSA-N -1 1 349.346 2.168 20 10 EECDMM COc1cc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)ccc1O ZINC000797820422 1304845157 /nfs/dbraw/zinc/84/51/57/1304845157.db2.gz XBTZKGPBBLHCAL-UHFFFAOYSA-N -1 1 336.369 2.160 20 10 EECDMM O=C(Nc1ccc[nH]1)c1cc([O-])c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001152601784 1316696180 /nfs/dbraw/zinc/69/61/80/1316696180.db2.gz KZQUNVDIXLTETG-UHFFFAOYSA-N -1 1 348.314 2.454 20 10 EECDMM O=C(NCC(=O)c1ccc([O-])c(O)c1)c1c[nH]c2ccc(F)cc21 ZINC001154138556 1316969405 /nfs/dbraw/zinc/96/94/05/1316969405.db2.gz WKBQNOULSMJXIJ-UHFFFAOYSA-N -1 1 328.299 2.331 20 10 EECDMM C[C@H](CCCC(C)(C)O)NC(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155235037 1317515777 /nfs/dbraw/zinc/51/57/77/1317515777.db2.gz WHVGDFMFHCTZIU-SNVBAGLBSA-N -1 1 349.383 2.264 20 10 EECDMM O=S(=O)([N-]c1cc(O)ccc1F)c1cccc2nsnc21 ZINC001260388124 1319879085 /nfs/dbraw/zinc/87/90/85/1319879085.db2.gz SXCWAHCBZJVUPC-UHFFFAOYSA-N -1 1 325.346 2.337 20 10 EECDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@H]1C[C@]12CCOC2 ZINC001608746662 1351754658 /nfs/dbraw/zinc/75/46/58/1351754658.db2.gz GIXRDEKKLCLMEH-WBMJQRKESA-N -1 1 325.792 2.359 20 10 EECDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@H]1C[C@]12CCOC2 ZINC001608746662 1351754660 /nfs/dbraw/zinc/75/46/60/1351754660.db2.gz GIXRDEKKLCLMEH-WBMJQRKESA-N -1 1 325.792 2.359 20 10 EECDMM Cc1ccc(NCc2ccc(N(C)C)c(F)c2)nc1-c1nnn[n-]1 ZINC001605875193 1351243993 /nfs/dbraw/zinc/24/39/93/1351243993.db2.gz BFXSPDLBPNZJOL-UHFFFAOYSA-N -1 1 327.367 2.387 20 10 EECDMM Cc1ccc(NCc2ccc(N(C)C)c(F)c2)nc1-c1nn[n-]n1 ZINC001605875193 1351243994 /nfs/dbraw/zinc/24/39/94/1351243994.db2.gz BFXSPDLBPNZJOL-UHFFFAOYSA-N -1 1 327.367 2.387 20 10 EECDMM Cc1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])c(N2CCCC2)n1 ZINC000828139079 1372238460 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JNXJFXNCPYPACX-CYBMUJFWSA-N -1 1 328.206 2.253 20 10 EECDMM [O-]c1c(Cl)cc(F)cc1CN1CCN(C[C@H]2CCCO2)CC1 ZINC001237812423 1306107425 /nfs/dbraw/zinc/10/74/25/1306107425.db2.gz FZBKSRPKWFBQHC-CQSZACIVSA-N -1 1 328.815 2.481 20 10 EECDMM O=C(Nc1cnc2ccccc2n1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155222053 1317508013 /nfs/dbraw/zinc/50/80/13/1317508013.db2.gz KODQCWVXXUYCLL-UHFFFAOYSA-N -1 1 349.302 2.400 20 10 EECDMM O=C(Nc1cc(O)nc(Cl)c1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155222710 1317508095 /nfs/dbraw/zinc/50/80/95/1317508095.db2.gz SRXSIEIFGVQLGR-UHFFFAOYSA-N -1 1 348.698 2.211 20 10 EECDMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001263768780 1322512148 /nfs/dbraw/zinc/51/21/48/1322512148.db2.gz FOHUFCFGTHGOKO-UHFFFAOYSA-N -1 1 345.424 2.294 20 10 EECDMM Cc1nsc(N2CCN(Cc3cc(F)c(F)cc3[O-])CC2)n1 ZINC001308563339 1331600053 /nfs/dbraw/zinc/60/00/53/1331600053.db2.gz QMKVOXSCCTWWGV-UHFFFAOYSA-N -1 1 326.372 2.153 20 10 EECDMM O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1cnc2ccccc2c1 ZINC001610814196 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O=C(c1c(F)ccc(O)c1[O-])N1CC[C@H](OCc2ccncc2)C1 ZINC000294789029 464604490 /nfs/dbraw/zinc/60/44/90/464604490.db2.gz DETLXWXSFRVKAG-LBPRGKRZSA-N -1 1 332.331 2.063 20 10 EECDMM Cc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)c(O)c1O ZINC000285752207 464682485 /nfs/dbraw/zinc/68/24/85/464682485.db2.gz JHKKJQGREIWIIJ-INIZCTEOSA-N -1 1 340.423 2.405 20 10 EECDMM CC1(C)CN(C(=O)c2c(F)ccc(O)c2[O-])C[C@@H](C(F)(F)F)O1 ZINC000295213260 464747470 /nfs/dbraw/zinc/74/74/70/464747470.db2.gz AGJUVXLYPIIZJV-VIFPVBQESA-N -1 1 337.269 2.419 20 10 EECDMM CC(C)Oc1ccc([C@H](O)CNC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000276644147 465014189 /nfs/dbraw/zinc/01/41/89/465014189.db2.gz YCBNVEMUIKLTCP-OAHLLOKOSA-N -1 1 349.358 2.488 20 10 EECDMM CCOC[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CCO1 ZINC000528721879 467738563 /nfs/dbraw/zinc/73/85/63/467738563.db2.gz PUFZKNZNYCJPAE-AWEZNQCLSA-N -1 1 327.808 2.486 20 10 EECDMM COCC(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000768884707 577564940 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O=C(C1CC1)N1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233417744 1304461558 /nfs/dbraw/zinc/46/15/58/1304461558.db2.gz GLPMRTNWFBSJDT-UHFFFAOYSA-N -1 1 328.334 2.465 20 10 EECDMM CN(C)[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1 ZINC000784588502 1304507942 /nfs/dbraw/zinc/50/79/42/1304507942.db2.gz LFHSNQHOOBVIIH-KRWDZBQOSA-N -1 1 329.352 2.127 20 10 EECDMM Cc1nn(C)cc1CC(=O)NCc1cccc(Br)c1[O-] ZINC000830529901 1314539850 /nfs/dbraw/zinc/53/98/50/1314539850.db2.gz RGHANCLVSTZGFP-UHFFFAOYSA-N -1 1 338.205 2.056 20 10 EECDMM COC(=O)c1ccc([O-])c([C@@H]2NC(C)(C)C(=O)N2CC(C)(C)C)c1 ZINC000840827401 1315417642 /nfs/dbraw/zinc/41/76/42/1315417642.db2.gz HGJCNOCGRURDDU-CQSZACIVSA-N -1 1 334.416 2.434 20 10 EECDMM COC(=O)[C@H]1C[C@H](O)CN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000843434382 1315914773 /nfs/dbraw/zinc/91/47/73/1315914773.db2.gz KOLXNLDQWBJPNU-ONGXEEELSA-N -1 1 334.199 2.055 20 10 EECDMM CC[C@H](C)NC(=O)c1cc([O-])c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001152609856 1316697058 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C[C@@H]1CN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)Cc2ccccc21 ZINC000872166072 1198066521 /nfs/dbraw/zinc/06/65/21/1198066521.db2.gz BYBCSXIOFOLMGH-LLVKDONJSA-N -1 1 338.367 2.252 20 10 EECDMM Cc1cc(C)nc(N2CCN(Cc3c([O-])ccc(F)c3F)CC2)n1 ZINC001233334534 1304435051 /nfs/dbraw/zinc/43/50/51/1304435051.db2.gz KWBSWUMVNAHCHT-UHFFFAOYSA-N -1 1 334.370 2.399 20 10 EECDMM [O-]c1c(CN2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)cccc1C(F)(F)F ZINC001233416489 1304461965 /nfs/dbraw/zinc/46/19/65/1304461965.db2.gz KCPSUWLYMOYHDE-LEWSCRJBSA-N -1 1 331.334 2.383 20 10 EECDMM CCOC(=O)[C@H]1C(=O)CCCN1Cc1c([O-])cc(OC)cc1Cl ZINC001236802834 1305681621 /nfs/dbraw/zinc/68/16/21/1305681621.db2.gz KSFMLHWVRQIRRV-OAHLLOKOSA-N -1 1 341.791 2.151 20 10 EECDMM [O-]c1cc(Cl)c(F)cc1CN1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001237945327 1306154362 /nfs/dbraw/zinc/15/43/62/1306154362.db2.gz YNRAPHDIDFLUNH-LSDHHAIUSA-N -1 1 346.805 2.429 20 10 EECDMM COc1ccnc(O[C@@H]2CCN(Cc3c(F)ccc(F)c3[O-])C2)n1 ZINC001139688831 1314759415 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EECDMM O=C(COC(=O)c1n[nH]c2c1CCCCC2)c1ccc([O-])c(O)c1 ZINC000784910991 756993679 /nfs/dbraw/zinc/99/36/79/756993679.db2.gz NXNOLBKTQRYKLS-UHFFFAOYSA-N -1 1 330.340 2.130 20 10 EECDMM C[C@@H](OCc1ccccc1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782797278 761862605 /nfs/dbraw/zinc/86/26/05/761862605.db2.gz JDNKZRSQFNVMIJ-GFCCVEGCSA-N -1 1 330.336 2.429 20 10 EECDMM CN(C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000825279672 788548917 /nfs/dbraw/zinc/54/89/17/788548917.db2.gz UCOKVNFOLLQKMJ-GFCCVEGCSA-N -1 1 329.803 2.420 20 10 EECDMM O=C(CNC(=O)c1cnccc1C(F)(F)F)c1ccc([O-])c(O)c1 ZINC001147274784 791778781 /nfs/dbraw/zinc/77/87/81/791778781.db2.gz LEFDZCSNKTYROB-UHFFFAOYSA-N -1 1 340.257 2.124 20 10 EECDMM O=C(NCc1ccc(-n2cccn2)cc1)c1c(F)ccc(O)c1[O-] ZINC000789957150 808292984 /nfs/dbraw/zinc/29/29/84/808292984.db2.gz JXIWZWRWTLSBRJ-UHFFFAOYSA-N -1 1 327.315 2.353 20 10 EECDMM O=C(COC(=O)c1nc2cccnc2s1)c1ccc([O-])c(O)c1 ZINC000792372555 809720196 /nfs/dbraw/zinc/72/01/96/809720196.db2.gz 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