smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(CNC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC000780349987 939108034 /nfs/dbraw/zinc/10/80/34/939108034.db2.gz LCHKMBUKVMTAKR-MRXNPFEDSA-N -1 0 333.432 2.585 20 10 EFCDRM CN(C)c1ccc(CNC(=O)N[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC000780349986 939108144 /nfs/dbraw/zinc/10/81/44/939108144.db2.gz LCHKMBUKVMTAKR-INIZCTEOSA-N -1 0 333.432 2.585 20 10 EFCDRM Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000780576060 939136981 /nfs/dbraw/zinc/13/69/81/939136981.db2.gz HLUKKTKIWMVRSC-QGZVFWFLSA-N -1 0 341.411 2.686 20 10 EFCDRM Cc1cc(N(C)C)ccc1CNC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000780576952 939137120 /nfs/dbraw/zinc/13/71/20/939137120.db2.gz MMRRFFKKPWGWCH-UHFFFAOYSA-N -1 0 333.432 2.648 20 10 EFCDRM O=C([O-])[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)C1CCCC1 ZINC000852943658 939238029 /nfs/dbraw/zinc/23/80/29/939238029.db2.gz XDQJMOLXCKMPTN-KRWDZBQOSA-N -1 0 331.412 2.778 20 10 EFCDRM C[C@H](NC(=O)NC1(C(=O)[O-])CCCCC1)c1ccc(N(C)C)cc1 ZINC000929045439 939801872 /nfs/dbraw/zinc/80/18/72/939801872.db2.gz RQBWNLMRUMVUPC-ZDUSSCGKSA-N -1 0 333.432 2.900 20 10 EFCDRM COc1cc(N(C)Cc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])cc1OC ZINC000327068413 971363646 /nfs/dbraw/zinc/36/36/46/971363646.db2.gz ZWHNFTYSNUGKHJ-UHFFFAOYSA-N -1 0 346.339 2.947 20 10 EFCDRM CCN(CC)c1ccc(CNC(=O)Nc2cccnc2C(=O)[O-])cc1 ZINC001589728766 950481034 /nfs/dbraw/zinc/48/10/34/950481034.db2.gz OBQPMOINHBLLQQ-UHFFFAOYSA-N -1 0 342.399 2.948 20 10 EFCDRM O=C([O-])c1cccc(CNC(=O)NCc2cccc(Cl)c2O)c1 ZINC001594771608 953561742 /nfs/dbraw/zinc/56/17/42/953561742.db2.gz JAJPLZMVDLXOCG-UHFFFAOYSA-N -1 0 334.759 2.743 20 10 EFCDRM O=C([O-])c1ccc(CNC(=O)NCc2cccc(Cl)c2O)cc1 ZINC001594772863 953574652 /nfs/dbraw/zinc/57/46/52/953574652.db2.gz DIABBLRPYPNGOC-UHFFFAOYSA-N -1 0 334.759 2.743 20 10 EFCDRM C[C@@H](C(=O)[O-])C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC001589333126 953961505 /nfs/dbraw/zinc/96/15/05/953961505.db2.gz YHFCOLINFTUSIT-NWDGAFQWSA-N -1 0 338.835 2.913 20 10 EFCDRM O=C([O-])C1(C(=O)NCc2c(O)ccc3ccccc32)CCSCC1 ZINC001594862890 954290160 /nfs/dbraw/zinc/29/01/60/954290160.db2.gz QFJLNTBGROREAR-UHFFFAOYSA-N -1 0 345.420 2.760 20 10 EFCDRM CN(C)c1ccc(CN(C)C(=O)c2coc(/C=C\C(=O)[O-])c2)cc1 ZINC001593759873 954473145 /nfs/dbraw/zinc/47/31/45/954473145.db2.gz AWBMEOWSQPXKPV-HJWRWDBZSA-N -1 0 328.368 2.716 20 10 EFCDRM O=C([O-])[C@H]1CCN(C(=O)/C=C\c2cncc(F)c2)c2ccccc21 ZINC001594919138 954792589 /nfs/dbraw/zinc/79/25/89/954792589.db2.gz CLMVONXKTVRMEQ-YVACAVLKSA-N -1 0 326.327 2.839 20 10 EFCDRM O=C([O-])[C@H]1CCN(C(=O)/C=C/c2cncc(F)c2)c2ccccc21 ZINC001594919137 954792916 /nfs/dbraw/zinc/79/29/16/954792916.db2.gz CLMVONXKTVRMEQ-NFAHFFEMSA-N -1 0 326.327 2.839 20 10 EFCDRM CC(C)C[C@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)C(=O)[O-] ZINC000818625017 955413345 /nfs/dbraw/zinc/41/33/45/955413345.db2.gz JBMRUTKYVQHSJJ-MRXNPFEDSA-N -1 0 347.459 2.833 20 10 EFCDRM CCC(CC)(CNC(=O)N[C@H](C)c1cc(OC)ccc1O)C(=O)[O-] ZINC000818627137 955415814 /nfs/dbraw/zinc/41/58/14/955415814.db2.gz OGUAHXAFJAFHCZ-LLVKDONJSA-N -1 0 338.404 2.652 20 10 EFCDRM COc1ccc(N(C)CCN(C)C(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000846714934 955724237 /nfs/dbraw/zinc/72/42/37/955724237.db2.gz CVSFJZFUUJWWHF-UHFFFAOYSA-N -1 0 342.395 2.602 20 10 EFCDRM Cc1cc(C(=O)NC[C@@H](C(=O)[O-])C(C)C)c(C)n1-c1ccccn1 ZINC000848451520 955739304 /nfs/dbraw/zinc/73/93/04/955739304.db2.gz CKLLNAXPWOBAPR-OAHLLOKOSA-N -1 0 329.400 2.576 20 10 EFCDRM CCCN(CC(=O)[O-])C(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC000874964160 956226375 /nfs/dbraw/zinc/22/63/75/956226375.db2.gz IGAUCRMKIKDNBW-UHFFFAOYSA-N -1 0 342.395 2.843 20 10 EFCDRM O=C([O-])c1ccccc1CC(=O)NCCCSc1nccs1 ZINC000901720490 956440531 /nfs/dbraw/zinc/44/05/31/956440531.db2.gz PCUHDTLSECFJAR-UHFFFAOYSA-N -1 0 336.438 2.682 20 10 EFCDRM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000902171085 956673164 /nfs/dbraw/zinc/67/31/64/956673164.db2.gz HJJSWACTQNQSMY-DOMZBBRYSA-N -1 0 341.411 2.672 20 10 EFCDRM Cc1cc(CCNC(=O)[C@H]2CC[C@H]2C(=O)[O-])c(C)n1-c1ccccc1 ZINC001594302751 957925160 /nfs/dbraw/zinc/92/51/60/957925160.db2.gz UUOWLCLWDMWJGJ-ZWKOTPCHSA-N -1 0 340.423 2.864 20 10 EFCDRM COc1c([O-])c(C[N@@H+]2CCCC[C@H]2CCC(=O)[O-])ccc1[N+](=O)[O-] ZINC001594048936 957959580 /nfs/dbraw/zinc/95/95/80/957959580.db2.gz YSKRRPLGVKCHJD-LBPRGKRZSA-N -1 0 338.360 2.528 20 10 EFCDRM CN(C)c1ccc(CNC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC001356607225 958177372 /nfs/dbraw/zinc/17/73/72/958177372.db2.gz DXRURLUQRDIHGL-INIZCTEOSA-N -1 0 333.432 2.682 20 10 EFCDRM O=C([O-])c1ccnc(NC(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC001605793647 972510125 /nfs/dbraw/zinc/51/01/25/972510125.db2.gz YKRCJDVRDTUDDW-UHFFFAOYSA-N -1 0 341.367 2.686 20 10 EFCDRM Cc1cc(C(=O)N2CC(C(=O)[O-])C2)c(C)n1-c1cc(C)cc(C)c1 ZINC001574321570 960824677 /nfs/dbraw/zinc/82/46/77/960824677.db2.gz AQHLMRYLBSVPER-UHFFFAOYSA-N -1 0 326.396 2.868 20 10 EFCDRM CN(C)c1ccc(CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C2CC2)cc1 ZINC001573997305 961847087 /nfs/dbraw/zinc/84/70/87/961847087.db2.gz QSUPEAQLEUMUTO-LSDHHAIUSA-N -1 0 330.428 2.745 20 10 EFCDRM CN(C)c1ccc(CN(C(=O)[C@]2(C(=O)[O-])CC2(C)C)C2CC2)cc1 ZINC001573997497 961849538 /nfs/dbraw/zinc/84/95/38/961849538.db2.gz WDADYCSIJDNTMM-IBGZPJMESA-N -1 0 330.428 2.745 20 10 EFCDRM Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001339714349 962065628 /nfs/dbraw/zinc/06/56/28/962065628.db2.gz ATRYTJYOIBWLKT-HNNXBMFYSA-N -1 0 347.459 2.847 20 10 EFCDRM C[C@@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC001346418088 962373719 /nfs/dbraw/zinc/37/37/19/962373719.db2.gz PZLSZMOHQFGDEM-OAUYIBNBSA-N -1 0 345.443 2.566 20 10 EFCDRM CC(C)C[C@H](CNC(=O)NCCCSc1nccs1)C(=O)[O-] ZINC000818624968 969190499 /nfs/dbraw/zinc/19/04/99/969190499.db2.gz PVJJVBWCOMSCMW-LLVKDONJSA-N -1 0 345.490 2.671 20 10 EFCDRM O=C([O-])CC1(C(=O)NCc2ccc(N3CCSCC3)cc2)CCC1 ZINC000844252921 969246487 /nfs/dbraw/zinc/24/64/87/969246487.db2.gz SMRODZKOWUYLHL-UHFFFAOYSA-N -1 0 348.468 2.501 20 10 EFCDRM CC(C)[C@@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C(=O)[O-] ZINC000848592317 969268772 /nfs/dbraw/zinc/26/87/72/969268772.db2.gz IFKLIBXTUNOAKP-QGZVFWFLSA-N -1 0 347.459 2.783 20 10 EFCDRM Cc1cc(C(=O)N2CC(C(=O)[O-])C2)c(C)n1-c1cccc(Cl)c1 ZINC001605112275 972769277 /nfs/dbraw/zinc/76/92/77/972769277.db2.gz NALSYTLYJMDJJZ-UHFFFAOYSA-N -1 0 332.787 2.904 20 10 EFCDRM O=C([O-])C1(C(=O)NCc2ccc(N3CCCCC3)cc2)CC=CC1 ZINC001605931297 972861015 /nfs/dbraw/zinc/86/10/15/972861015.db2.gz WMAATJDYVYPNSI-UHFFFAOYSA-N -1 0 328.412 2.714 20 10 EFCDRM Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cc(C(=O)[O-])n[nH]1 ZINC001605263467 973041630 /nfs/dbraw/zinc/04/16/30/973041630.db2.gz WAJAMLBSHTWIJP-UHFFFAOYSA-N -1 0 330.369 2.829 20 10 EFCDRM C[C@H]1[C@@H](C(=O)[O-])CC[N@@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000715758610 977781146 /nfs/dbraw/zinc/78/11/46/977781146.db2.gz DDQLUTVQWJVSSP-XVKPBYJWSA-N -1 0 332.169 2.589 20 10 EFCDRM C[C@@H]1[C@H](C(=O)[O-])CC[N@@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000715758592 977781585 /nfs/dbraw/zinc/78/15/85/977781585.db2.gz DDQLUTVQWJVSSP-GMSGAONNSA-N -1 0 332.169 2.589 20 10 EFCDRM COc1ccc(N(C)CCOc2ccccc2C(=O)[O-])cc1OC ZINC000823590744 978939201 /nfs/dbraw/zinc/93/92/01/978939201.db2.gz GIMQEJBWTYLWML-UHFFFAOYSA-N -1 0 331.368 2.917 20 10 EFCDRM Cc1cc(CC(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)c(C)n1-c1ccccc1 ZINC000826143222 978945871 /nfs/dbraw/zinc/94/58/71/978945871.db2.gz UVZAHHCVJVGXPX-QAPCUYQASA-N -1 0 340.423 2.958 20 10 EFCDRM C[C@@H](CO)C1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001592757340 979341255 /nfs/dbraw/zinc/34/12/55/979341255.db2.gz JMAOHYSTLUCCBZ-FHMRSRPSSA-N -1 0 334.372 2.537 20 10 EFCDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2ccc(N(C)C)cc2)n1 ZINC000844206637 979353776 /nfs/dbraw/zinc/35/37/76/979353776.db2.gz HCYWYFVAQVKOCJ-UHFFFAOYSA-N -1 0 330.344 2.675 20 10 EFCDRM O=C([O-])/C=C/c1ccc(N2CC[C@H](C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000844211536 979367287 /nfs/dbraw/zinc/36/72/87/979367287.db2.gz CSQVVBZIJKNWKR-OMDKTOEGSA-N -1 0 346.383 2.946 20 10 EFCDRM Cc1cnn([C@@H]2CCN(c3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])C2)c1 ZINC000844212272 979368237 /nfs/dbraw/zinc/36/82/37/979368237.db2.gz UEVMEBAODDYVGS-LYKUJDHUSA-N -1 0 342.355 2.649 20 10 EFCDRM O=C([O-])/C=C\c1ccc(N2CC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000844212456 979368934 /nfs/dbraw/zinc/36/89/34/979368934.db2.gz XVUHRHDCAAZOTG-BALMKSLISA-N -1 0 332.356 2.555 20 10 EFCDRM C[C@@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000844212706 979369784 /nfs/dbraw/zinc/36/97/84/979369784.db2.gz MNFWYCMYKMOBRP-MGLAVRPGSA-N -1 0 332.356 2.696 20 10 EFCDRM O=C([O-])/C=C\c1ccc(N2CCC[C@@H]2[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000844213241 979371657 /nfs/dbraw/zinc/37/16/57/979371657.db2.gz IGIDSYVWPGTQFG-CSVGXABCSA-N -1 0 332.356 2.840 20 10 EFCDRM COC[C@H]1CCCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844213208 979371734 /nfs/dbraw/zinc/37/17/34/979371734.db2.gz HPZVMUBSLJXIKY-QPBFKRLHSA-N -1 0 334.372 2.946 20 10 EFCDRM O=C([O-])/C=C/c1ccc(N2CCC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000844215766 979377616 /nfs/dbraw/zinc/37/76/16/979377616.db2.gz URIYBRTVXOEKMJ-UNCXAERMSA-N -1 0 346.383 2.946 20 10 EFCDRM CC(C)(C)[C@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000844217306 979380859 /nfs/dbraw/zinc/38/08/59/979380859.db2.gz KTCSRCTYAHYEHN-ZQMJAJRESA-N -1 0 334.372 2.944 20 10 EFCDRM C[C@@H](c1ccccc1)[C@H](O)CN(C)c1ccc(OCC(=O)[O-])cc1 ZINC000846279904 979448309 /nfs/dbraw/zinc/44/83/09/979448309.db2.gz POPGHBVOICLYPC-KBXCAEBGSA-N -1 0 329.396 2.751 20 10 EFCDRM CC(=O)c1cc(F)cc(CN2CCc3c(cccc3C(=O)[O-])C2)c1O ZINC000851706680 979572232 /nfs/dbraw/zinc/57/22/32/979572232.db2.gz DWTDLSOPRZHKER-UHFFFAOYSA-N -1 0 343.354 2.990 20 10 EFCDRM COc1ccc(N2CCCN(c3ncc(C(=O)[O-])s3)CC2)cc1 ZINC000864510740 979939601 /nfs/dbraw/zinc/93/96/01/979939601.db2.gz DCPLYOICHIVYLC-UHFFFAOYSA-N -1 0 333.413 2.567 20 10 EFCDRM Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H](C(=O)[O-])C(C)C)c1 ZINC000874963916 980199724 /nfs/dbraw/zinc/19/97/24/980199724.db2.gz QIMOZTNNJVPDFO-KRWDZBQOSA-N -1 0 342.395 2.746 20 10 EFCDRM Cc1cc(C=O)c(C)n1-c1cc(C(=O)N(C)[C@@H](C)C(=O)[O-])ccc1C ZINC000874963539 980199909 /nfs/dbraw/zinc/19/99/09/980199909.db2.gz CDDMQGGOBGUEJP-AWEZNQCLSA-N -1 0 342.395 2.760 20 10 EFCDRM O=C([O-])c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000900069874 980240452 /nfs/dbraw/zinc/24/04/52/980240452.db2.gz BNJHJXIISVKXTJ-JTQLQIEISA-N -1 0 339.754 2.704 20 10 EFCDRM COc1ccc(OC)c(CN(C)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000902016779 980693020 /nfs/dbraw/zinc/69/30/20/980693020.db2.gz OVNUHXLWYVVRGU-UHFFFAOYSA-N -1 0 331.368 2.804 20 10 EFCDRM CN(Cc1cc(C(F)(F)F)n(C)n1)c1ccc(OCC(=O)[O-])cc1 ZINC000903601247 980983197 /nfs/dbraw/zinc/98/31/97/980983197.db2.gz HGAIDOWKJXTZBH-UHFFFAOYSA-N -1 0 343.305 2.539 20 10 EFCDRM CC[C@@H](C(=O)[O-])C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC001594741042 981608648 /nfs/dbraw/zinc/60/86/48/981608648.db2.gz MMCXLSOHNXSHGV-CYBMUJFWSA-N -1 0 346.349 2.754 20 10 EFCDRM CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC001595890780 982921940 /nfs/dbraw/zinc/92/19/40/982921940.db2.gz DMUXXBLIRVJVIR-DZGCQCFKSA-N -1 0 334.416 2.957 20 10 EFCDRM CCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1 ZINC001595891011 982923424 /nfs/dbraw/zinc/92/34/24/982923424.db2.gz JFIODLJSSYGEHD-PMUMKWKESA-N -1 0 332.400 2.567 20 10 EFCDRM Cc1cc(CC(=O)NCC(C)(C)C(=O)[O-])c(C)n1-c1ccccc1 ZINC001118577527 982960857 /nfs/dbraw/zinc/96/08/57/982960857.db2.gz PVAZYGPCBJBCSX-UHFFFAOYSA-N -1 0 328.412 2.864 20 10 EFCDRM CCN(CC)c1ccc(CN(C)C(=O)NC2CC(CC(=O)[O-])C2)cc1 ZINC001596289963 983710564 /nfs/dbraw/zinc/71/05/64/983710564.db2.gz RTMYQQGZUKUPQJ-UHFFFAOYSA-N -1 0 347.459 2.928 20 10 EFCDRM CCOC(=O)CN(Cc1cc(C(=O)[O-])c(C)o1)Cc1ccccc1O ZINC001596621996 984596912 /nfs/dbraw/zinc/59/69/12/984596912.db2.gz CZSAJNNUSVBPNO-UHFFFAOYSA-N -1 0 347.367 2.557 20 10 EFCDRM 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EFCDRM CS(=O)(=O)N(c1ccc(N)cc1)c1cc(F)c([O-])c(Cl)c1 ZINC001214490610 1314699364 /nfs/dbraw/zinc/69/93/64/1314699364.db2.gz YTPRHEGUCDPBLN-UHFFFAOYSA-N -1 0 330.768 2.865 20 10 EFCDRM CC(=O)c1cc([N-]S(=O)(=O)c2cccc3cccnc32)ccc1O ZINC001251005901 1315308988 /nfs/dbraw/zinc/30/89/88/1315308988.db2.gz QYKNZAHCXCKFEM-UHFFFAOYSA-N -1 0 342.376 2.944 20 10 EFCDRM COCCn1c(-c2cc(O)c([O-])c([N+](=O)[O-])c2)nc2cccc(F)c21 ZINC001251027532 1315311709 /nfs/dbraw/zinc/31/17/09/1315311709.db2.gz QFNQUIKPTIGOFW-UHFFFAOYSA-N -1 0 347.302 2.808 20 10 EFCDRM O=S(=O)(NC1CC(F)(F)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC001251387635 1315345279 /nfs/dbraw/zinc/34/52/79/1315345279.db2.gz CMHXEIFPAJYCHL-UHFFFAOYSA-N -1 0 332.155 2.775 20 10 EFCDRM O=S(=O)(NCc1ccncc1)c1cc(Cl)cc(Cl)c1[O-] ZINC001251383758 1315344791 /nfs/dbraw/zinc/34/47/91/1315344791.db2.gz FMGANKYTVDDKJE-UHFFFAOYSA-N -1 0 333.196 2.573 20 10 EFCDRM O=c1[nH]cccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251389761 1315345704 /nfs/dbraw/zinc/34/57/04/1315345704.db2.gz GWVRRQQIJRTKTA-UHFFFAOYSA-N -1 0 335.168 2.600 20 10 EFCDRM COCCN(C(C)C)S(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251409288 1315345999 /nfs/dbraw/zinc/34/59/99/1315345999.db2.gz OBEVEEHOGKBAOD-UHFFFAOYSA-N -1 0 342.244 2.745 20 10 EFCDRM CSCCN(C)S(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251416084 1315346859 /nfs/dbraw/zinc/34/68/59/1315346859.db2.gz YXELGCLZDJMMJX-UHFFFAOYSA-N -1 0 330.258 2.683 20 10 EFCDRM CC1(C)[C@@H]2CN(S(=O)(=O)c3cc(Cl)cc(Cl)c3[O-])C[C@@H]21 ZINC001251411944 1315347005 /nfs/dbraw/zinc/34/70/05/1315347005.db2.gz PVFDXWBBZDLVPV-DTORHVGOSA-N -1 0 336.240 2.976 20 10 EFCDRM CC(C)(O)CCCNS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251438966 1315348137 /nfs/dbraw/zinc/34/81/37/1315348137.db2.gz JGYLKJCZQTZCMV-UHFFFAOYSA-N -1 0 342.244 2.528 20 10 EFCDRM O=S(=O)(NC[C@H]1C[C@H](F)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC001251432919 1315348267 /nfs/dbraw/zinc/34/82/67/1315348267.db2.gz SVRVCFVSYXJMNL-FKQCQYRASA-N -1 0 328.192 2.725 20 10 EFCDRM CC1(C)C[C@H](NS(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])CO1 ZINC001251438846 1315348791 /nfs/dbraw/zinc/34/87/91/1315348791.db2.gz FUFWBFYDJQNFPR-QMMMGPOBSA-N -1 0 340.228 2.545 20 10 EFCDRM C[C@H]1C[C@H](NS(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC001251445000 1315348687 /nfs/dbraw/zinc/34/86/87/1315348687.db2.gz SGMGODVRAOYUSH-IONNQARKSA-N -1 0 340.228 2.545 20 10 EFCDRM CC(C)(O)CNc1c(CC(=O)[O-])cccc1C(=O)c1ccccc1 ZINC001252360127 1315439090 /nfs/dbraw/zinc/43/90/90/1315439090.db2.gz AXDYSQVJJQYGMX-UHFFFAOYSA-N -1 0 327.380 2.728 20 10 EFCDRM CC(C)(C)[C@@H](O)CNc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001253734727 1315633701 /nfs/dbraw/zinc/63/37/01/1315633701.db2.gz HJTZXLWZQFCMNX-KRWDZBQOSA-N -1 0 339.391 2.987 20 10 EFCDRM Cc1sc([N-]S(=O)(=O)c2ccccc2Cl)c(C(N)=O)c1C ZINC001256246780 1315923515 /nfs/dbraw/zinc/92/35/15/1315923515.db2.gz GXICTPIYOWISOR-UHFFFAOYSA-N -1 0 344.845 2.918 20 10 EFCDRM COC(=O)c1cc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)n[n-]1 ZINC001256978507 1316016830 /nfs/dbraw/zinc/01/68/30/1316016830.db2.gz MGQFEJZQKFVEDW-UHFFFAOYSA-N -1 0 335.323 2.704 20 10 EFCDRM O=C(c1ccncc1)c1ccccc1[N-]S(=O)(=O)c1ccccn1 ZINC001259289951 1316225993 /nfs/dbraw/zinc/22/59/93/1316225993.db2.gz IXWFCMAKQFFCNM-UHFFFAOYSA-N -1 0 339.376 2.508 20 10 EFCDRM COc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC(F)F)cc1 ZINC001259432275 1316242679 /nfs/dbraw/zinc/24/26/79/1316242679.db2.gz PRXHILVOVCWSEK-UHFFFAOYSA-N -1 0 345.323 2.803 20 10 EFCDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(O)c2ccccc12 ZINC001260110527 1316316262 /nfs/dbraw/zinc/31/62/62/1316316262.db2.gz AQDBTHRDRIJBAW-UHFFFAOYSA-N -1 0 331.397 2.697 20 10 EFCDRM Cc1cc(F)cc([N-]S(=O)(=O)c2cccc3nsnc32)c1O ZINC001260388136 1316336533 /nfs/dbraw/zinc/33/65/33/1316336533.db2.gz UMKCSVFMEIOGLH-UHFFFAOYSA-N -1 0 339.373 2.645 20 10 EFCDRM CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC001260440808 1316338320 /nfs/dbraw/zinc/33/83/20/1316338320.db2.gz NYAGLRGTTXLYIE-UHFFFAOYSA-N -1 0 337.332 2.561 20 10 EFCDRM O=S(=O)([N-]c1ccc(O)c2ccccc12)c1cccc2nonc21 ZINC001260440648 1316338429 /nfs/dbraw/zinc/33/84/29/1316338429.db2.gz AZJGRYPZXJFXBP-UHFFFAOYSA-N -1 0 341.348 2.882 20 10 EFCDRM CCC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC001260442326 1316338991 /nfs/dbraw/zinc/33/89/91/1316338991.db2.gz XMVDPLQDMKYJED-UHFFFAOYSA-N -1 0 331.353 2.616 20 10 EFCDRM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(O)c(C(C)=O)c1 ZINC001260649937 1316353897 /nfs/dbraw/zinc/35/38/97/1316353897.db2.gz OJYRYCQPWPVLKC-UHFFFAOYSA-N -1 0 339.344 2.543 20 10 EFCDRM CC[C@@H](C)S(=O)(=O)[N-]c1sc2c(c1C(N)=O)C[C@@H](C)CC2 ZINC001260727504 1316363395 /nfs/dbraw/zinc/36/33/95/1316363395.db2.gz VAWXHPVKPXAHPD-DTWKUNHWSA-N -1 0 330.475 2.512 20 10 EFCDRM COc1ccc(S(=O)(=O)[N-]c2cccc(O)c2O)cc1Cl ZINC001260973081 1316379746 /nfs/dbraw/zinc/37/97/46/1316379746.db2.gz TWSQDPICEXFPQZ-UHFFFAOYSA-N -1 0 329.761 2.561 20 10 EFCDRM C[C@]1(C(=O)[O-])C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC001262164751 1316450650 /nfs/dbraw/zinc/45/06/50/1316450650.db2.gz SSCQWDBEOYQFCL-QMTHXVAHSA-N -1 0 334.199 2.811 20 10 EFCDRM C[C@]1(C(=O)[O-])C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC001262164750 1316450685 /nfs/dbraw/zinc/45/06/85/1316450685.db2.gz SSCQWDBEOYQFCL-IINYFYTJSA-N -1 0 334.199 2.811 20 10 EFCDRM CC(C)[C@H](CC(=O)[O-])[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000904002605 1324860415 /nfs/dbraw/zinc/86/04/15/1324860415.db2.gz ZROCFWFVJGDASC-NSHDSACASA-N -1 0 334.185 2.883 20 10 EFCDRM Cc1c([C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C(=O)[O-])cnn1C ZINC000904047055 1324862345 /nfs/dbraw/zinc/86/23/45/1324862345.db2.gz AIMWZXYWVQLIFO-GOSISDBHSA-N -1 0 342.443 2.634 20 10 EFCDRM COC(=O)[C@H](NCc1cc(F)cc(F)c1[O-])c1ccc2c(c1)CCO2 ZINC001331568138 1330854520 /nfs/dbraw/zinc/85/45/20/1330854520.db2.gz XIWNKMLYUURJGQ-MRXNPFEDSA-N -1 0 349.333 2.609 20 10 EFCDRM O=C([O-])C[C@H]([NH2+]Cc1cc(Br)cc(F)c1[O-])C1CC1 ZINC001331981704 1330900383 /nfs/dbraw/zinc/90/03/83/1330900383.db2.gz JBBGRAZWNPDIOD-NSHDSACASA-N -1 0 332.169 2.637 20 10 EFCDRM C[C@H](CCC(=O)[O-])C[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC001333177373 1331088425 /nfs/dbraw/zinc/08/84/25/1331088425.db2.gz YUPAQJUDYGAAGA-MRVPVSSYSA-N -1 0 334.185 2.884 20 10 EFCDRM O=C([O-])CC[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])C(F)(F)F ZINC001334842711 1331316311 /nfs/dbraw/zinc/31/63/11/1331316311.db2.gz ZFLRMRDALMMAIC-QMMMGPOBSA-N -1 0 327.249 2.803 20 10 EFCDRM CC(C)(CCNC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)[O-] ZINC000849366255 1335599004 /nfs/dbraw/zinc/59/90/04/1335599004.db2.gz RCDILACZGCEUHH-UHFFFAOYSA-N -1 0 347.440 2.547 20 10 EFCDRM COc1ccc(N(C)Cc2cccc(-c3nn[n-]n3)c2F)c(OC)c1 ZINC000826209278 1429077899 /nfs/dbraw/zinc/07/78/99/1429077899.db2.gz UXAQPWKKYUFATL-UHFFFAOYSA-N -1 0 343.362 2.659 20 10 EFCDRM COc1cccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)c1O ZINC000826216112 1429526141 /nfs/dbraw/zinc/52/61/41/1429526141.db2.gz LBNXWPMAOUYAGK-UHFFFAOYSA-N -1 0 331.763 2.846 20 10 EFCDRM Oc1ccccc1CNc1ccc(Br)cc1-c1nn[n-]n1 ZINC000826511107 1423996954 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/nfs/dbraw/zinc/96/00/79/599960079.db2.gz LOBQSDUFEMFEBS-KXQLTZBTSA-N -1 0 342.355 2.731 20 10 EFCDRM CN1CCCc2cc(CNC(=O)NC3CCC(C(=O)[O-])CC3)ccc21 ZINC000737519084 600021652 /nfs/dbraw/zinc/02/16/52/600021652.db2.gz WKLUNTAWEJSVBC-UHFFFAOYSA-N -1 0 345.443 2.512 20 10 EFCDRM CN(C)c1ccc(CN(C)C(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000737475930 600031845 /nfs/dbraw/zinc/03/18/45/600031845.db2.gz CKRCLYIPNYEXIP-UHFFFAOYSA-N -1 0 333.432 2.537 20 10 EFCDRM O=C([O-])c1ccc(/C=C\c2ccc(N3CCOCC3)c(F)c2)nc1 ZINC000740124292 600056764 /nfs/dbraw/zinc/05/67/64/600056764.db2.gz UJWLGXZJXAXRBQ-RJRFIUFISA-N -1 0 328.343 2.926 20 10 EFCDRM O=C([O-])CN(Cc1nnsc1Cl)Cc1cc(Cl)ccc1O ZINC000739793620 600144657 /nfs/dbraw/zinc/14/46/57/600144657.db2.gz IKGRVFKCALOYMO-UHFFFAOYSA-N -1 0 348.211 2.637 20 10 EFCDRM Cn1c(-c2ccccc2)cnc1SCc1noc(CCC(=O)[O-])n1 ZINC000738999581 600185425 /nfs/dbraw/zinc/18/54/25/600185425.db2.gz VYEVMXPIBCFRKK-UHFFFAOYSA-N -1 0 344.396 2.780 20 10 EFCDRM Cc1nn(C)c(C)c1CN(C)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000738912252 600207790 /nfs/dbraw/zinc/20/77/90/600207790.db2.gz VSITUFZAWOWKKL-SOFGYWHQSA-N -1 0 344.371 2.679 20 10 EFCDRM C[C@@H]1[C@@H](C)[S@@](=O)CCN1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000736749059 600259626 /nfs/dbraw/zinc/25/96/26/600259626.db2.gz VVQMTEDVYGALFU-FLXNLOQFSA-N -1 0 347.436 2.585 20 10 EFCDRM CCOC[C@H]1CCCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000737164558 600282131 /nfs/dbraw/zinc/28/21/31/600282131.db2.gz UQIMYWRETCPUHU-OWNNVSBGSA-N -1 0 334.372 2.946 20 10 EFCDRM CCn1cc(CN(C)c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000737301571 600282851 /nfs/dbraw/zinc/28/28/51/600282851.db2.gz WCHDYLHQAOZPFE-FNORWQNLSA-N -1 0 330.344 2.545 20 10 EFCDRM COc1cccc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)n1 ZINC000738097929 600431661 /nfs/dbraw/zinc/43/16/61/600431661.db2.gz TZCONZMLKJXXGN-UHFFFAOYSA-N -1 0 336.775 2.536 20 10 EFCDRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])ccn2)c(C)n1-c1ccccn1 ZINC000738335659 600433879 /nfs/dbraw/zinc/43/38/79/600433879.db2.gz OSFVJUAOMYIJFZ-UHFFFAOYSA-N -1 0 336.351 2.835 20 10 EFCDRM CCOc1ccc(N(C)CC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000737203793 600574198 /nfs/dbraw/zinc/57/41/98/600574198.db2.gz OUHAFXXQNJWHLN-UHFFFAOYSA-N -1 0 328.368 2.858 20 10 EFCDRM CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000326322180 600661786 /nfs/dbraw/zinc/66/17/86/600661786.db2.gz OZPJQIMHBNECJQ-CVEARBPZSA-N -1 0 332.444 2.992 20 10 EFCDRM Cc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000832899591 600684284 /nfs/dbraw/zinc/68/42/84/600684284.db2.gz QPDFEWISBCZMEO-UHFFFAOYSA-N -1 0 341.772 2.853 20 10 EFCDRM O=C([O-])/C=C\c1ccc(N2CCO[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000324347570 601257353 /nfs/dbraw/zinc/25/73/53/601257353.db2.gz FIPHFWFRTAJIIF-GMRZMDSISA-N -1 0 332.356 2.840 20 10 EFCDRM COCCN(Cc1cc(C(=O)[O-])co1)c1ccc(OC)c(OC)c1 ZINC000831734800 601320584 /nfs/dbraw/zinc/32/05/84/601320584.db2.gz BDRVPBDVUAJYGM-UHFFFAOYSA-N -1 0 335.356 2.648 20 10 EFCDRM COCCN(Cc1cc(C(=O)[O-])c(C)o1)c1ccc(OC)c(OC)c1 ZINC000831734885 601320635 /nfs/dbraw/zinc/32/06/35/601320635.db2.gz DNYITVUKLGGNGQ-UHFFFAOYSA-N -1 0 349.383 2.956 20 10 EFCDRM CCc1oc(C(=O)[O-])cc1COc1ccc(C(=O)OC)cc1[N+](=O)[O-] ZINC000830394603 601404880 /nfs/dbraw/zinc/40/48/80/601404880.db2.gz IWRKHLZHDZKVBM-UHFFFAOYSA-N -1 0 349.295 2.814 20 10 EFCDRM CCc1oc(C(=O)[O-])cc1COc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000830394763 601406458 /nfs/dbraw/zinc/40/64/58/601406458.db2.gz LRDACJLZZGATIO-UHFFFAOYSA-N -1 0 349.295 2.814 20 10 EFCDRM COc1ccc(N2CCN(Cc3cc(C(=O)[O-])c(C)o3)CC2)cc1F ZINC000832383193 601551125 /nfs/dbraw/zinc/55/11/25/601551125.db2.gz ARUUPVPTNRYQPK-UHFFFAOYSA-N -1 0 348.374 2.756 20 10 EFCDRM Cc1cc(C(=O)N(C)Cc2ccccc2O)cc(C)c1OCC(=O)[O-] ZINC000832860097 601756937 /nfs/dbraw/zinc/75/69/37/601756937.db2.gz WARPQZQAABCFIR-UHFFFAOYSA-N -1 0 343.379 2.745 20 10 EFCDRM COc1ccc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)s1 ZINC000832281450 601952443 /nfs/dbraw/zinc/95/24/43/601952443.db2.gz MHQJXLVNGVDCKH-VQHVLOKHSA-N -1 0 343.451 2.823 20 10 EFCDRM COc1ccc(N(C)CC(=O)Nc2ccsc2C(=O)[O-])cc1F ZINC000832378179 601970033 /nfs/dbraw/zinc/97/00/33/601970033.db2.gz GJAFMFANPCJEIS-UHFFFAOYSA-N -1 0 338.360 2.669 20 10 EFCDRM C[C@@H](CC(=O)[O-])C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000827246563 602294600 /nfs/dbraw/zinc/29/46/00/602294600.db2.gz AUKFYCVHBDIYGY-NSHDSACASA-N -1 0 346.349 2.754 20 10 EFCDRM C[C@H](CC(=O)[O-])C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000827246562 602294613 /nfs/dbraw/zinc/29/46/13/602294613.db2.gz AUKFYCVHBDIYGY-LLVKDONJSA-N -1 0 346.349 2.754 20 10 EFCDRM CC(C)CO[C@@H]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000826900537 602315292 /nfs/dbraw/zinc/31/52/92/602315292.db2.gz HPKFVQCDEBTOEV-YVARQFDVSA-N -1 0 334.372 2.944 20 10 EFCDRM O=C([O-])[C@H]1CC12CC[NH+](Cc1cccc(Br)c1[O-])CC2 ZINC000833771940 604651013 /nfs/dbraw/zinc/65/10/13/604651013.db2.gz VCZDJTAKQGMDPP-LLVKDONJSA-N -1 0 340.217 2.841 20 10 EFCDRM CN1CCCc2cc(CNC(=O)c3ccc(C(=O)[O-])c(F)c3)ccc21 ZINC000830946175 604816470 /nfs/dbraw/zinc/81/64/70/604816470.db2.gz IBESLTRCFXIFQR-UHFFFAOYSA-N -1 0 342.370 2.836 20 10 EFCDRM CN1CCCc2cc(CNC(=O)C3CCC(C(=O)[O-])CC3)ccc21 ZINC000833697471 605107603 /nfs/dbraw/zinc/10/76/03/605107603.db2.gz LIIDLGXWQFYOIM-UHFFFAOYSA-N -1 0 330.428 2.576 20 10 EFCDRM CC(C)(CC(=O)[O-])CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000833451220 605223653 /nfs/dbraw/zinc/22/36/53/605223653.db2.gz KQEYWTYLUUEZOR-OAHLLOKOSA-N -1 0 349.427 2.791 20 10 EFCDRM C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CNC(=O)[O-] ZINC000833549624 605282552 /nfs/dbraw/zinc/28/25/52/605282552.db2.gz RKSOPDNXLDCFOK-CYBMUJFWSA-N -1 0 328.368 2.750 20 10 EFCDRM COc1ccc(O)c(CNC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)c1 ZINC000833733782 605283598 /nfs/dbraw/zinc/28/35/98/605283598.db2.gz PRCKTLACZRIYTF-UHFFFAOYSA-N -1 0 349.318 2.952 20 10 EFCDRM CC(C)CCc1noc(CN(C)c2ccc(OCC(=O)[O-])cc2)n1 ZINC000833484374 605436829 /nfs/dbraw/zinc/43/68/29/605436829.db2.gz 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CCOC(=O)[C@@H](NCc1cc(Cl)cc(F)c1[O-])C1CCOCC1 ZINC000789581097 1276828898 /nfs/dbraw/zinc/82/88/98/1276828898.db2.gz OMNYHZDGWIPPKE-AWEZNQCLSA-N -1 0 345.798 2.633 20 10 EFCDRM Cc1ccc(C)n1-c1ccsc1C(=O)N(C)Cc1n[n-]c(=O)o1 ZINC000819769965 1276903479 /nfs/dbraw/zinc/90/34/79/1276903479.db2.gz ZUSOWWAHQJDHBL-UHFFFAOYSA-N -1 0 332.385 2.516 20 10 EFCDRM O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1c([O-])c(O)ccc1F ZINC000789946049 1277111383 /nfs/dbraw/zinc/11/13/83/1277111383.db2.gz DELUICVCMVMFJR-UHFFFAOYSA-N -1 0 330.315 2.838 20 10 EFCDRM O=C(Nc1cc(Br)ccc1O)c1c([O-])c(O)ccc1F ZINC000790071010 1277208450 /nfs/dbraw/zinc/20/84/50/1277208450.db2.gz PEBCHJBHGJKNQQ-UHFFFAOYSA-N -1 0 342.120 2.957 20 10 EFCDRM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000790408697 1277521412 /nfs/dbraw/zinc/52/14/12/1277521412.db2.gz HDVNSLLHXMTWLN-UHFFFAOYSA-N -1 0 328.777 2.640 20 10 EFCDRM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1sccc1OC ZINC000790411318 1277522823 /nfs/dbraw/zinc/52/28/23/1277522823.db2.gz 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ZINC001235306146 1313286720 /nfs/dbraw/zinc/28/67/20/1313286720.db2.gz QYFGHCMPXXSQJP-UHFFFAOYSA-N -1 0 334.185 2.679 20 10 EFCDRM COc1ccc(C[N@@H+]2CCC[C@@H](Oc3ncccn3)C2)c([O-])c1Cl ZINC001236807163 1313532830 /nfs/dbraw/zinc/53/28/30/1313532830.db2.gz GSPSECVKGMCCNP-CYBMUJFWSA-N -1 0 349.818 2.888 20 10 EFCDRM CCOC(=O)[C@@H]1CSCCN1Cc1ccc(OC)c(Cl)c1[O-] ZINC001236810653 1313533681 /nfs/dbraw/zinc/53/36/81/1313533681.db2.gz WVPYPBUMPGKKAM-NSHDSACASA-N -1 0 345.848 2.535 20 10 EFCDRM COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)N1Cc1ccc(OC)c(Cl)c1[O-] ZINC001236818286 1313536413 /nfs/dbraw/zinc/53/64/13/1313536413.db2.gz LHLAPDDWKWIYRP-OLUVUFQESA-N -1 0 325.792 2.580 20 10 EFCDRM Oc1cc(C(F)(F)F)ccc1CN1CCN[C@@H](C(F)(F)F)C1 ZINC001236996556 1313568163 /nfs/dbraw/zinc/56/81/63/1313568163.db2.gz OTFBBLCUGRSHKU-LLVKDONJSA-N -1 0 328.256 2.747 20 10 EFCDRM COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H](C)c2ccsc2)cc1 ZINC000853008470 1299969472 /nfs/dbraw/zinc/96/94/72/1299969472.db2.gz RJIDXNAFZVVESD-LBPRGKRZSA-N -1 0 348.424 2.525 20 10 EFCDRM Cc1cc(O)c(CN2CCc3ncn(C)c3C2)cc1Br ZINC001237685421 1313691534 /nfs/dbraw/zinc/69/15/34/1313691534.db2.gz PYIWJSBDQZKPJC-UHFFFAOYSA-N -1 0 336.233 2.755 20 10 EFCDRM COc1c([O-])c(C[NH2+]C[C@H](CC(=O)[O-])CC(C)C)ccc1[N+](=O)[O-] ZINC000854243897 1300483147 /nfs/dbraw/zinc/48/31/47/1300483147.db2.gz GWXAHWXBRNOZMA-NSHDSACASA-N -1 0 340.376 2.536 20 10 EFCDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c(F)c1 ZINC000776748547 1300611854 /nfs/dbraw/zinc/61/18/54/1300611854.db2.gz ORBAFUUCQHMGAL-UHFFFAOYSA-N -1 0 338.360 2.599 20 10 EFCDRM [O-]c1c(Cl)cc(F)cc1CN1CCN(c2nccs2)CC1 ZINC001237800667 1313708525 /nfs/dbraw/zinc/70/85/25/1313708525.db2.gz AIRMGOZXGPRXKE-UHFFFAOYSA-N -1 0 327.812 2.963 20 10 EFCDRM O=S(=O)([N-]c1cccc2c[nH]nc21)c1ccc(Cl)c2nonc21 ZINC001237905794 1313728822 /nfs/dbraw/zinc/72/88/22/1313728822.db2.gz MYVIPOFESDMSPB-UHFFFAOYSA-N -1 0 349.759 2.553 20 10 EFCDRM O=C(N1CCCC1)C12CC(C1)CN2Cc1cc(F)c(Cl)cc1O ZINC001237937654 1313733751 /nfs/dbraw/zinc/73/37/51/1313733751.db2.gz POFNOHJCSINEAR-UHFFFAOYSA-N -1 0 338.810 2.772 20 10 EFCDRM O=C([O-])c1ccc(F)c(/C=C2\SC(N3CCCCC3)=NC2=O)c1 ZINC000865217405 1303191660 /nfs/dbraw/zinc/19/16/60/1303191660.db2.gz LQCQQUALSYRZFU-LCYFTJDESA-N -1 0 334.372 2.980 20 10 EFCDRM COc1cc(O)ccc1[N-]S(=O)(=O)C[C@H](OC)c1ccccc1 ZINC000901705005 1310910479 /nfs/dbraw/zinc/91/04/79/1310910479.db2.gz YKNFJNUBFHNCFV-INIZCTEOSA-N -1 0 337.397 2.530 20 10 EFCDRM Cc1cc([N-]S(=O)(=O)c2cc(C3CC3)nn2C)c(C)c(C)c1O ZINC000901917982 1311193421 /nfs/dbraw/zinc/19/34/21/1311193421.db2.gz ZDHNLSRPAKMPQI-UHFFFAOYSA-N -1 0 335.429 2.729 20 10 EFCDRM CC(C)(C)[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C(=O)[O-] ZINC000780400818 1311365419 /nfs/dbraw/zinc/36/54/19/1311365419.db2.gz NKDXKICNBUXBCN-OAHLLOKOSA-N -1 0 333.432 2.585 20 10 EFCDRM Cc1cccc(CNC(F)(F)c2cc(Cl)nnc2C(=O)[O-])c1O ZINC001160770946 1311777473 /nfs/dbraw/zinc/77/74/73/1311777473.db2.gz IETODFZPWAZFIJ-UHFFFAOYSA-N -1 0 343.717 2.681 20 10 EFCDRM CCOC(=O)c1sc(C(=O)OCC)c(OCCOC(C)C)c1[O-] ZINC001227494148 1311812489 /nfs/dbraw/zinc/81/24/89/1311812489.db2.gz QXKFMIMDSAZBDC-UHFFFAOYSA-N -1 0 346.401 2.611 20 10 EFCDRM CCOC(=O)c1sc(C(=O)OCC)c(O[C@H](C)C2CC2)c1[O-] ZINC001227494167 1311812639 /nfs/dbraw/zinc/81/26/39/1311812639.db2.gz RJMMKYABUSYWLC-MRVPVSSYSA-N -1 0 328.386 2.984 20 10 EFCDRM COC(=O)c1sc(C(=O)OC)c(OC(C2CC2)C2CC2)c1[O-] ZINC001227620435 1311832027 /nfs/dbraw/zinc/83/20/27/1311832027.db2.gz HBXLOABISGPDAJ-UHFFFAOYSA-N -1 0 326.370 2.594 20 10 EFCDRM COC(=O)c1sc(C(=O)OC)c(O[C@@H]2C[C@H]3CC[C@@H]2C3)c1[O-] ZINC001227620897 1311832271 /nfs/dbraw/zinc/83/22/71/1311832271.db2.gz WPPUXNSIBJTIOP-DJLDLDEBSA-N -1 0 326.370 2.594 20 10 EFCDRM COC(=O)c1sc(C(=O)OC)c(O[C@H](C)c2nccs2)c1[O-] ZINC001227623392 1311832719 /nfs/dbraw/zinc/83/27/19/1311832719.db2.gz SAYZRXZHFFXHOE-ZCFIWIBFSA-N -1 0 343.382 2.623 20 10 EFCDRM COc1cc(O[C@@H](C)C(C)=O)c2c([O-])c3c(=O)c(O)ccc-3oc2c1 ZINC001227657825 1311836463 /nfs/dbraw/zinc/83/64/63/1311836463.db2.gz NQLPYSMBRVOXRK-VIFPVBQESA-N -1 0 344.319 2.722 20 10 EFCDRM COc1cc(O[C@@H]2CCOC2)c2c([O-])c3c(=O)c(O)ccc-3oc2c1 ZINC001227658875 1311836516 /nfs/dbraw/zinc/83/65/16/1311836516.db2.gz AIRYZYVPGFKWJO-SECBINFHSA-N -1 0 344.319 2.534 20 10 EFCDRM C[C@H]1OCC[C@H]1COc1c(O)c(O)ccc1C(=O)c1ccc(O)cc1 ZINC001228114567 1311902185 /nfs/dbraw/zinc/90/21/85/1311902185.db2.gz IKDOSQUOQLPKEP-YPMHNXCESA-N -1 0 344.363 2.838 20 10 EFCDRM CC[C@@H](COC)Oc1cc(O)cc([O-])c1C(=O)c1ccc(O)c(O)c1 ZINC001228520093 1311960183 /nfs/dbraw/zinc/96/01/83/1311960183.db2.gz VIJCUSIXZQDXOW-LBPRGKRZSA-N -1 0 348.351 2.544 20 10 EFCDRM O=C1c2ccc(O[C@H]3CCOC[C@H]3F)cc2C(=O)c2ccc([O-])cc21 ZINC001229190215 1312059247 /nfs/dbraw/zinc/05/92/47/1312059247.db2.gz JOPGUYPJFXJOPP-SJORKVTESA-N -1 0 342.322 2.673 20 10 EFCDRM CCN1CC[C@H](Oc2ccc3c(c2)C(=O)c2ccc([O-])cc2C3=O)C1 ZINC001229192210 1312059355 /nfs/dbraw/zinc/05/93/55/1312059355.db2.gz JBLBSJGADYGFBY-AWEZNQCLSA-N -1 0 337.375 2.641 20 10 EFCDRM CC[C@H](COC)Oc1ccc2c(c1)C(=O)c1ccc([O-])cc1C2=O ZINC001229192760 1312060063 /nfs/dbraw/zinc/06/00/63/1312060063.db2.gz STEJTDWBCFIIOK-GFCCVEGCSA-N -1 0 326.348 2.971 20 10 EFCDRM CC(C)c1noc([C@H]2CCC[N@H+](Cc3ccc(C(=O)[O-])cc3O)C2)n1 ZINC001231454650 1312500864 /nfs/dbraw/zinc/50/08/64/1312500864.db2.gz HJQFPPVGIPGAHT-AWEZNQCLSA-N -1 0 345.399 2.976 20 10 EFCDRM Cc1cccnc1O[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001231453577 1312501462 /nfs/dbraw/zinc/50/14/62/1312501462.db2.gz MMOSBBHONIDMRZ-MRXNPFEDSA-N -1 0 342.395 2.837 20 10 EFCDRM Cc1cccc(O[C@H]2CCC[N@H+](Cc3ccc(C(=O)[O-])cc3O)C2)n1 ZINC001231452907 1312501635 /nfs/dbraw/zinc/50/16/35/1312501635.db2.gz HOHLLJGZWLSNHE-INIZCTEOSA-N -1 0 342.395 2.837 20 10 EFCDRM O=C([O-])c1ccc(O)c(CN2Cc3cc(Br)cnc3C2)c1 ZINC001231563895 1312525851 /nfs/dbraw/zinc/52/58/51/1312525851.db2.gz GCZHMSZHYPUWCX-UHFFFAOYSA-N -1 0 349.184 2.764 20 10 EFCDRM CCOC(=O)c1ncn2c1CN(Cc1cccc(Cl)c1[O-])CCC2 ZINC001231909415 1312585781 /nfs/dbraw/zinc/58/57/81/1312585781.db2.gz MUXMOBJKNYGQIZ-UHFFFAOYSA-N -1 0 349.818 2.825 20 10 EFCDRM CCOC(=O)c1cc2n(n1)CCCN(Cc1cccc(Cl)c1[O-])C2 ZINC001231910350 1312586486 /nfs/dbraw/zinc/58/64/86/1312586486.db2.gz MFHHJEMMMQMFTI-UHFFFAOYSA-N -1 0 349.818 2.825 20 10 EFCDRM CCOC(=O)c1nc2c(o1)CCN(Cc1cccc(Cl)c1[O-])C2 ZINC001231912703 1312587508 /nfs/dbraw/zinc/58/75/08/1312587508.db2.gz SUGGTCSBQFUFMB-UHFFFAOYSA-N -1 0 336.775 2.769 20 10 EFCDRM Cc1cncc(-c2noc(-c3cc4cc(O)c([O-])cc4oc3=O)n2)c1 ZINC001217553521 1315084365 /nfs/dbraw/zinc/08/43/65/1315084365.db2.gz BRYIRUORRJJBTB-UHFFFAOYSA-N -1 0 337.291 2.625 20 10 EFCDRM CCN1C[C@@H](C)N(Cc2cc(C)c(Br)cc2O)CC1=O ZINC001250133719 1315177059 /nfs/dbraw/zinc/17/70/59/1315177059.db2.gz QRBZFPPGBIKPLE-LLVKDONJSA-N -1 0 341.249 2.516 20 10 EFCDRM COCCn1c2ccc(F)cc2nc1-c1cc(O)c([O-])c([N+](=O)[O-])c1 ZINC001251027767 1315312036 /nfs/dbraw/zinc/31/20/36/1315312036.db2.gz XZEWBZAIFZCJMM-UHFFFAOYSA-N -1 0 347.302 2.808 20 10 EFCDRM Cc1c[nH]c(=O)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251394632 1315345198 /nfs/dbraw/zinc/34/51/98/1315345198.db2.gz RAFFTLGWCQURIV-UHFFFAOYSA-N -1 0 349.195 2.909 20 10 EFCDRM CN(Cc1cccnc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251387972 1315345369 /nfs/dbraw/zinc/34/53/69/1315345369.db2.gz UNTHBTFQFHQDMO-UHFFFAOYSA-N -1 0 347.223 2.915 20 10 EFCDRM O=S(=O)(c1cc(Cl)cc(Cl)c1[O-])N1CC(F)(C2CC2)C1 ZINC001251387696 1315345561 /nfs/dbraw/zinc/34/55/61/1315345561.db2.gz FZBWLJYZTLORRD-UHFFFAOYSA-N -1 0 340.203 2.822 20 10 EFCDRM O=S(=O)(c1cc(Cl)cc(Cl)c1[O-])N1CCC[C@@H](F)C1 ZINC001251409044 1315346509 /nfs/dbraw/zinc/34/65/09/1315346509.db2.gz IJMUBUNAWYZZQO-MRVPVSSYSA-N -1 0 328.192 2.822 20 10 EFCDRM O=S(=O)(Nc1ccc(CO)cc1)c1cc(Cl)cc(Cl)c1[O-] ZINC001251419276 1315346901 /nfs/dbraw/zinc/34/69/01/1315346901.db2.gz YADUHETYPIQMGB-UHFFFAOYSA-N -1 0 348.207 2.992 20 10 EFCDRM CC1(C)C[C@@H](NS(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])CO1 ZINC001251438845 1315348517 /nfs/dbraw/zinc/34/85/17/1315348517.db2.gz FUFWBFYDJQNFPR-MRVPVSSYSA-N -1 0 340.228 2.545 20 10 EFCDRM CC(C)OCCCNS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251437189 1315348746 /nfs/dbraw/zinc/34/87/46/1315348746.db2.gz ZBEJTXKMTFEENG-UHFFFAOYSA-N -1 0 342.244 2.792 20 10 EFCDRM C[C@@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-])c1ccno1 ZINC001251448084 1315349137 /nfs/dbraw/zinc/34/91/37/1315349137.db2.gz UZXSZQWVCXBFLR-ZCFIWIBFSA-N -1 0 337.184 2.727 20 10 EFCDRM CC(C)[C@H](O)CNc1c(CC(=O)[O-])cccc1C(=O)c1ccccc1 ZINC001253771444 1315637047 /nfs/dbraw/zinc/63/70/47/1315637047.db2.gz ITNUMDBSDVMROR-QGZVFWFLSA-N -1 0 341.407 2.974 20 10 EFCDRM COc1ccc(OC)c(S(=O)(=O)[N-]c2c(C)cc(O)cc2C)c1 ZINC001254436079 1315703969 /nfs/dbraw/zinc/70/39/69/1315703969.db2.gz REFBLUCXXUMOAY-UHFFFAOYSA-N -1 0 337.397 2.827 20 10 EFCDRM O=S(=O)([N-]c1ccc(O)cc1O)c1ccccc1C(F)(F)F ZINC001256568603 1315960972 /nfs/dbraw/zinc/96/09/72/1315960972.db2.gz QWGWZTRDKBPMHX-UHFFFAOYSA-N -1 0 333.287 2.917 20 10 EFCDRM CC(=O)c1ccc(S(=O)(=O)Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001259176721 1316215071 /nfs/dbraw/zinc/21/50/71/1316215071.db2.gz HKURPJQEEWCGID-UHFFFAOYSA-N -1 0 327.308 2.674 20 10 EFCDRM CC(=O)c1ccc(S(=O)(=O)Nc2c(F)cc([O-])cc2F)cc1 ZINC001259177510 1316215196 /nfs/dbraw/zinc/21/51/96/1316215196.db2.gz DCHORTHBFFDQKN-UHFFFAOYSA-N -1 0 327.308 2.674 20 10 EFCDRM Cc1sc([N-]S(=O)(=O)c2ccc(F)cc2C)c(C(N)=O)c1C ZINC001259486908 1316250315 /nfs/dbraw/zinc/25/03/15/1316250315.db2.gz QCICXKNLWDKNMY-UHFFFAOYSA-N -1 0 342.417 2.712 20 10 EFCDRM Cc1sc([N-]S(=O)(=O)CC2CCCCC2)c(C(N)=O)c1C ZINC001259613757 1316261900 /nfs/dbraw/zinc/26/19/00/1316261900.db2.gz TWIRPNZKNUEOGU-UHFFFAOYSA-N -1 0 330.475 2.786 20 10 EFCDRM O=C(c1ccccn1)c1cc(Cl)ccc1[N-]S(=O)(=O)C(F)F ZINC001259958353 1316301621 /nfs/dbraw/zinc/30/16/21/1316301621.db2.gz GDNUYJNJPRJZRE-UHFFFAOYSA-N -1 0 346.742 2.930 20 10 EFCDRM O=S(=O)([N-]c1ccc(O)cc1O)c1cc(F)c(F)cc1Cl ZINC001260277364 1316327336 /nfs/dbraw/zinc/32/73/36/1316327336.db2.gz GHTUPCBZTBNMQA-UHFFFAOYSA-N -1 0 335.715 2.830 20 10 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COc1ccc(N(C)CC(=O)Nc2cccc(C(=O)[O-])c2)cc1F ZINC000832378710 601969623 /nfs/dbraw/zinc/96/96/23/601969623.db2.gz RHIMPUGLQCJMJA-UHFFFAOYSA-N -1 0 332.331 2.607 20 10 EFCDRM Cc1csc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)n1 ZINC000832989649 602042064 /nfs/dbraw/zinc/04/20/64/602042064.db2.gz QQFHGLVUSYWQLP-UHFFFAOYSA-N -1 0 326.805 2.897 20 10 EFCDRM O=C([O-])Nc1cc(NC(=O)NCCc2ccc(O)c(O)c2)ccc1F ZINC000833283789 602278071 /nfs/dbraw/zinc/27/80/71/602278071.db2.gz WDPVGNPWHHSGOM-UHFFFAOYSA-N -1 0 349.318 2.691 20 10 EFCDRM CCCN(Cc1ccccc1O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000829496682 602366569 /nfs/dbraw/zinc/36/65/69/602366569.db2.gz NBBKMYYNZMJDFG-UHFFFAOYSA-N -1 0 331.372 2.873 20 10 EFCDRM O=C([O-])c1cccc(CC(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000833765736 604793311 /nfs/dbraw/zinc/79/33/11/604793311.db2.gz KJCUJBZNKJPVDS-UHFFFAOYSA-N -1 0 339.391 2.828 20 10 EFCDRM CN(C)c1ccc(CNC(=O)Nc2nc(CCC(=O)[O-])cs2)cc1 ZINC000830639575 604981864 /nfs/dbraw/zinc/98/18/64/604981864.db2.gz 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347.814 2.975 20 10 EFCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCc2cncn2C1 ZINC000844145445 1278772555 /nfs/dbraw/zinc/77/25/55/1278772555.db2.gz ZJNJIEJETJXKFM-VIFPVBQESA-N -1 0 340.210 2.774 20 10 EFCDRM CC(C)CN1C[C@H]2CN(Cc3cccc(Cl)c3[O-])CCN2C1=O ZINC000787289765 1275734849 /nfs/dbraw/zinc/73/48/49/1275734849.db2.gz WGXYAXFGQAWEMG-CQSZACIVSA-N -1 0 337.851 2.623 20 10 EFCDRM COC(=O)c1cc[nH]c(=O)c1NCc1c([O-])ccc(Cl)c1F ZINC000787794868 1275917506 /nfs/dbraw/zinc/91/75/06/1275917506.db2.gz KQBNNUMQWWEIGQ-UHFFFAOYSA-N -1 0 326.711 2.684 20 10 EFCDRM Cc1cccc(NC(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)n1 ZINC000788318164 1276144802 /nfs/dbraw/zinc/14/48/02/1276144802.db2.gz OIUULFIXIJZYKL-UHFFFAOYSA-N -1 0 349.774 2.868 20 10 EFCDRM CC1(C)Cc2cccc([N-]S(=O)(=O)c3cccc4nonc43)c2O1 ZINC000788759217 1276290275 /nfs/dbraw/zinc/29/02/75/1276290275.db2.gz BBOLJCCMVZANQY-UHFFFAOYSA-N -1 0 345.380 2.737 20 10 EFCDRM CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000818624833 1276540889 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O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCCC12OCCO2 ZINC000807840541 1281435455 /nfs/dbraw/zinc/43/54/55/1281435455.db2.gz DFSYTKDNCIFNIA-LLVKDONJSA-N -1 0 346.210 2.858 20 10 EFCDRM CNc1nc(C)cc(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000807841162 1281436261 /nfs/dbraw/zinc/43/62/61/1281436261.db2.gz UCMWQMQWWIGJJG-UHFFFAOYSA-N -1 0 341.198 2.769 20 10 EFCDRM CC1=C(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])C(=O)OC1(C)C ZINC000807840902 1281436270 /nfs/dbraw/zinc/43/62/70/1281436270.db2.gz NGGJYKFKNJSENZ-UHFFFAOYSA-N -1 0 344.194 2.967 20 10 EFCDRM O=C(CCCn1ccnc1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807835293 1281446950 /nfs/dbraw/zinc/44/69/50/1281446950.db2.gz DIFINYRLWUHTCD-UHFFFAOYSA-N -1 0 328.199 2.992 20 10 EFCDRM O=C(CCOC[C@H]1CCCO1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807837698 1281447071 /nfs/dbraw/zinc/44/70/71/1281447071.db2.gz ASYPEUHELDQICW-GFCCVEGCSA-N -1 0 348.226 2.901 20 10 EFCDRM CC(=O)N1CCC(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000807838058 1281447295 /nfs/dbraw/zinc/44/72/95/1281447295.db2.gz 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ZINC000810166347 1282961901 /nfs/dbraw/zinc/96/19/01/1282961901.db2.gz RMHSOWCGVDRFGJ-UHFFFAOYSA-N -1 0 342.754 2.984 20 10 EFCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1cnn2ncccc12 ZINC000813682666 1286063142 /nfs/dbraw/zinc/06/31/42/1286063142.db2.gz GROOVNZYGWRTLX-UHFFFAOYSA-N -1 0 337.166 2.672 20 10 EFCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])C1(O)CCSCC1 ZINC000813686316 1286063699 /nfs/dbraw/zinc/06/36/99/1286063699.db2.gz YSFLMOAGHKDERJ-UHFFFAOYSA-N -1 0 336.240 2.573 20 10 EFCDRM O=C1CCC[C@H]1[C@H]1COCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816586500 1288208580 /nfs/dbraw/zinc/20/85/80/1288208580.db2.gz JXVDDZDBPAYDHG-SMDDNHRTSA-N -1 0 327.783 2.755 20 10 EFCDRM C[C@H]1CN(Cc2cc(Cl)c(F)cc2[O-])C[C@]2(CCCOC2)O1 ZINC000816598251 1288219100 /nfs/dbraw/zinc/21/91/00/1288219100.db2.gz UXPIZZMNDFWNLK-ZBEGNZNMSA-N -1 0 329.799 2.955 20 10 EFCDRM CCn1nc(C)c(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000816682288 1288244826 /nfs/dbraw/zinc/24/48/26/1288244826.db2.gz ULKMUYNTDSYDQB-UHFFFAOYSA-N -1 0 329.187 2.549 20 10 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