smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CCN(C(=O)c1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001601069850 970927501 /nfs/dbraw/zinc/92/75/01/970927501.db2.gz HEBVRNHAGZFVJB-UHFFFAOYSA-N -1 0 314.728 3.209 20 30 DGEDRM C=C(C)COc1cccc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)c1 ZINC001602709510 971346973 /nfs/dbraw/zinc/34/69/73/971346973.db2.gz DXEDIFWJMWCVJR-SFHVURJKSA-N -1 0 315.369 3.391 20 30 DGEDRM C#Cc1ccc(NC(=O)c2coc(/C=C/C(=O)[O-])c2)c(Cl)c1 ZINC001602706994 971340669 /nfs/dbraw/zinc/34/06/69/971340669.db2.gz GYDIRSSLOFVSJU-GQCTYLIASA-N -1 0 315.712 3.264 20 30 DGEDRM C=C(C)COc1cccc(NC(=O)[C@H](C(=O)[O-])C2CCCC2)c1 ZINC001602710022 971348987 /nfs/dbraw/zinc/34/89/87/971348987.db2.gz OLHGYKDWWHANIY-MRXNPFEDSA-N -1 0 317.385 3.471 20 30 DGEDRM C=CCN(CC1CCCCC1)C(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001602722873 971390097 /nfs/dbraw/zinc/39/00/97/971390097.db2.gz WUJDSLHGTCELAC-GOSISDBHSA-N -1 0 305.418 3.392 20 30 DGEDRM C=CCN(CC1CCCCC1)C(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001602722874 971390365 /nfs/dbraw/zinc/39/03/65/971390365.db2.gz WUJDSLHGTCELAC-SFHVURJKSA-N -1 0 305.418 3.392 20 30 DGEDRM C=CCc1ccc(OC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c(OC)c1 ZINC001602730060 971405140 /nfs/dbraw/zinc/40/51/40/971405140.db2.gz QTRSUISFGKAKMK-CQSZACIVSA-N -1 0 306.358 3.076 20 30 DGEDRM N#Cc1ccc(Br)cc1NC1CCC(C(=O)[O-])CC1 ZINC000122891583 949243956 /nfs/dbraw/zinc/24/39/56/949243956.db2.gz XAEDHKGBAMTUFU-UHFFFAOYSA-N -1 0 323.190 3.376 20 30 DGEDRM N#Cc1ccc(Br)cc1N1CCCC[C@@H]1CC(=O)[O-] ZINC000122899705 949245357 /nfs/dbraw/zinc/24/53/57/949245357.db2.gz ZSBBHYDIRMFFNE-GFCCVEGCSA-N -1 0 323.190 3.154 20 30 DGEDRM N#Cc1ccc(N2CCC[C@H](CC(=O)[O-])C2)cc1Br ZINC000228164693 949622716 /nfs/dbraw/zinc/62/27/16/949622716.db2.gz WDCNHXWCHXETHK-SNVBAGLBSA-N -1 0 323.190 3.012 20 30 DGEDRM CC[C@H](C)[C@H](Nc1ccc(C#N)c(Br)c1)C(=O)[O-] ZINC001593615166 953498250 /nfs/dbraw/zinc/49/82/50/953498250.db2.gz WGGOYLNPKDDBQT-UFBFGSQYSA-N -1 0 311.179 3.232 20 30 DGEDRM CCc1ccc2ccccc2c1CNC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001593640323 953640272 /nfs/dbraw/zinc/64/02/72/953640272.db2.gz XCFMFADZWUDZNK-IBGZPJMESA-N -1 0 324.380 3.023 20 30 DGEDRM CCc1nnc(Nc2cccc(CCC(=O)[O-])c2)c(C#N)c1CC ZINC001593653621 953725073 /nfs/dbraw/zinc/72/50/73/953725073.db2.gz LGDGAVLJZNNTLQ-UHFFFAOYSA-N -1 0 324.384 3.234 20 30 DGEDRM CCC(CC)(CNC(=O)Nc1ccc(CCC#N)cc1)C(=O)[O-] ZINC001589497607 955020692 /nfs/dbraw/zinc/02/06/92/955020692.db2.gz QOAFUXMHWIUGRZ-UHFFFAOYSA-N -1 0 317.389 3.155 20 30 DGEDRM N#Cc1c(F)cccc1CN1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC001594612022 956224222 /nfs/dbraw/zinc/22/42/22/956224222.db2.gz UCNJGVHGJWRJDX-CQSZACIVSA-N -1 0 310.328 3.276 20 30 DGEDRM N#Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001594626501 956318827 /nfs/dbraw/zinc/31/88/27/956318827.db2.gz BVJCZHWUQGEEFF-KGLIPLIRSA-N -1 0 323.308 3.192 20 30 DGEDRM N#Cc1cccc([N+](=O)[O-])c1N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001594628578 956333925 /nfs/dbraw/zinc/33/39/25/956333925.db2.gz DFRYLCBKUIEPQS-UONOGXRCSA-N -1 0 323.308 3.192 20 30 DGEDRM C[C@H](CN(C)C(=O)Nc1scc(C(C)(C)C)c1C#N)C(=O)[O-] ZINC001603151794 972251132 /nfs/dbraw/zinc/25/11/32/972251132.db2.gz HBAGXWNUCSZWDW-SECBINFHSA-N -1 0 323.418 3.102 20 30 DGEDRM C=C(Br)COc1cc(/C=C/C(=O)[O-])ccc1OC ZINC000037681737 957320216 /nfs/dbraw/zinc/32/02/16/957320216.db2.gz BWOIVPYIDFZSNV-GQCTYLIASA-N -1 0 313.147 3.080 20 30 DGEDRM Cc1cc(C#N)cc(C)c1C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001594274108 957702509 /nfs/dbraw/zinc/70/25/09/957702509.db2.gz QSZJABOQPQCIRC-CQSZACIVSA-N -1 0 316.401 3.184 20 30 DGEDRM C#CCOc1ccccc1CNc1cccc(CCC(=O)[O-])c1 ZINC001588433618 958299371 /nfs/dbraw/zinc/29/93/71/958299371.db2.gz QLIRLMMOVGSCCT-UHFFFAOYSA-N -1 0 309.365 3.328 20 30 DGEDRM C#CCOc1cc(F)ccc1NCc1ccc(C(=O)[O-])s1 ZINC001588433765 958300611 /nfs/dbraw/zinc/30/06/11/958300611.db2.gz VFQTVRVGUNFYFO-UHFFFAOYSA-N -1 0 305.330 3.210 20 30 DGEDRM C=CCC1(NC(=O)Nc2ccccc2CC(=O)[O-])CCCC1 ZINC001588458129 958458358 /nfs/dbraw/zinc/45/83/58/958458358.db2.gz QYHOYRLFNXDPMS-UHFFFAOYSA-N -1 0 302.374 3.324 20 30 DGEDRM C#CCCCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001573318050 958458590 /nfs/dbraw/zinc/45/85/90/958458590.db2.gz KHASIXQSVHLMKM-SNVBAGLBSA-N -1 0 305.399 3.313 20 30 DGEDRM C=CCC1(NC(=O)c2ccc(OCC(=O)[O-])cc2)CCCCC1 ZINC001573328673 958501485 /nfs/dbraw/zinc/50/14/85/958501485.db2.gz LTQPECSPOZLINA-UHFFFAOYSA-N -1 0 317.385 3.159 20 30 DGEDRM C=CCC(CC=C)C(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001573329494 958510344 /nfs/dbraw/zinc/51/03/44/958510344.db2.gz HFZWVTWFFVVPPY-UHFFFAOYSA-N -1 0 321.398 3.226 20 30 DGEDRM C=C1CCC(C(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)CC1 ZINC001573329666 958511321 /nfs/dbraw/zinc/51/13/21/958511321.db2.gz JZEJDYGTBSLYIU-UHFFFAOYSA-N -1 0 321.398 3.204 20 30 DGEDRM C=CCn1c(S[C@@H](CC)C(=O)[O-])nnc1-c1ccccc1F ZINC001588471523 958533481 /nfs/dbraw/zinc/53/34/81/958533481.db2.gz AQVUPGMOZAZDPZ-LBPRGKRZSA-N -1 0 321.377 3.226 20 30 DGEDRM C=C(C)CCC(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001123386003 960466520 /nfs/dbraw/zinc/46/65/20/960466520.db2.gz XQCOIJYXZBTZQC-MRXNPFEDSA-N -1 0 309.793 3.198 20 30 DGEDRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC001573768528 960644706 /nfs/dbraw/zinc/64/47/06/960644706.db2.gz NXRNTICSZHTRJV-SFHVURJKSA-N -1 0 321.376 3.022 20 30 DGEDRM Cc1cc(NC(=O)C2(c3cccc(C#N)c3)CC2)ccc1C(=O)[O-] ZINC001574337755 960909914 /nfs/dbraw/zinc/90/99/14/960909914.db2.gz HGPPIEHYMDLEMP-UHFFFAOYSA-N -1 0 320.348 3.235 20 30 DGEDRM CC[C@@]1(C(=O)[O-])CCCN(c2nc(C(C)(C)C)ccc2C#N)C1 ZINC001573822244 960969004 /nfs/dbraw/zinc/96/90/04/960969004.db2.gz GJLJKIDZYNBCRZ-GOSISDBHSA-N -1 0 315.417 3.332 20 30 DGEDRM C=C[C@@H](CC)CC(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC001336243301 961956508 /nfs/dbraw/zinc/95/65/08/961956508.db2.gz RWCXPAFJVSLUQV-HNNXBMFYSA-N -1 0 303.402 3.482 20 30 DGEDRM CCCCCCCC(=O)N1CCc2ccc(C(=O)[O-])nc2C1 ZINC001349953483 962503118 /nfs/dbraw/zinc/50/31/18/962503118.db2.gz BFSBZLKXOOWVCG-UHFFFAOYSA-N -1 0 304.390 3.025 20 30 DGEDRM C#C[C@@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC001573303021 962667784 /nfs/dbraw/zinc/66/77/84/962667784.db2.gz TYKJXENCAIRARA-SLZMIMFISA-N -1 0 322.320 3.479 20 30 DGEDRM C#C[C@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC001573303020 962668900 /nfs/dbraw/zinc/66/89/00/962668900.db2.gz TYKJXENCAIRARA-KLQCNHIUSA-N -1 0 322.320 3.479 20 30 DGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(F)c2ccccc12)C(=O)[O-] ZINC001573319733 962747431 /nfs/dbraw/zinc/74/74/31/962747431.db2.gz AKAURTMCIXBWFB-OAHLLOKOSA-N -1 0 301.317 3.128 20 30 DGEDRM C=C(C)C[C@H](NC(=O)[C@H](C)c1cc2ccccc2o1)C(=O)[O-] ZINC001573320904 962753238 /nfs/dbraw/zinc/75/32/38/962753238.db2.gz GHBOTVRWZQWGJR-YPMHNXCESA-N -1 0 301.342 3.072 20 30 DGEDRM C=C(C)C[C@@H](NC(=O)/C=C/c1cc(C)c(C)cc1C)C(=O)[O-] ZINC001573322411 962769631 /nfs/dbraw/zinc/76/96/31/962769631.db2.gz YDTLLALQYGSNLP-FYCOFBDGSA-N -1 0 301.386 3.161 20 30 DGEDRM C=C(C)C[C@@H](Nc1cc(Br)ccc1C#N)C(=O)[O-] ZINC001573323367 962770772 /nfs/dbraw/zinc/77/07/72/962770772.db2.gz ALGJEMQQFCDGBV-GFCCVEGCSA-N -1 0 309.163 3.152 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)N1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC001573332020 962821850 /nfs/dbraw/zinc/82/18/50/962821850.db2.gz GVEIAVAGGAJWNC-QGZVFWFLSA-N -1 0 311.381 3.327 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC001573337274 962863851 /nfs/dbraw/zinc/86/38/51/962863851.db2.gz MCCDIKDRMNEKHU-UHFFFAOYSA-N -1 0 300.314 3.065 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(C(F)(F)F)c(OC)c1 ZINC001573337678 962866127 /nfs/dbraw/zinc/86/61/27/962866127.db2.gz PTDQZQPPSZJFTF-UHFFFAOYSA-N -1 0 317.263 3.074 20 30 DGEDRM CCCCCCCC(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001526739661 962890286 /nfs/dbraw/zinc/89/02/86/962890286.db2.gz ORRWDLNDQURSJS-UHFFFAOYSA-N -1 0 322.405 3.439 20 30 DGEDRM C=CC(C)(C)CCNC(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001573348347 962957380 /nfs/dbraw/zinc/95/73/80/962957380.db2.gz VISCPVNTSHDYAT-UHFFFAOYSA-N -1 0 316.401 3.055 20 30 DGEDRM C=CCC(CC=C)C(=O)Oc1cc(/C=C\C(=O)[O-])ccc1OC ZINC001573350121 962964563 /nfs/dbraw/zinc/96/45/63/962964563.db2.gz BWSVGXNZTZXEMZ-LUAWRHEFSA-N -1 0 316.353 3.467 20 30 DGEDRM C=CC[C@H](C(=O)NCc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC001573351680 962982115 /nfs/dbraw/zinc/98/21/15/962982115.db2.gz WQXCEDBVCNVISP-SFHVURJKSA-N -1 0 323.392 3.290 20 30 DGEDRM C=CCCC[C@H](NC(=O)CCc1cc(Cl)cs1)C(=O)[O-] ZINC001573357778 963021609 /nfs/dbraw/zinc/02/16/09/963021609.db2.gz SHELIBJVHOMQAO-LBPRGKRZSA-N -1 0 315.822 3.260 20 30 DGEDRM C=CCN(Cc1cccs1)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001573368826 963086727 /nfs/dbraw/zinc/08/67/27/963086727.db2.gz SCCWXQPBGMTBKX-UHFFFAOYSA-N -1 0 315.394 3.204 20 30 DGEDRM CCCCCCCCNC(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC000316478973 964016809 /nfs/dbraw/zinc/01/68/09/964016809.db2.gz MIGIESNRXIAVDP-UHFFFAOYSA-N -1 0 310.394 3.446 20 30 DGEDRM C#CCCCCCC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC001588440714 964044112 /nfs/dbraw/zinc/04/41/12/964044112.db2.gz LBAZLLLXAWMIJO-OWCLPIDISA-N -1 0 305.418 3.062 20 30 DGEDRM C#CCCCCCC(=O)N1c2ccccc2C[C@H](C)[C@@H]1C(=O)[O-] ZINC001588440803 964045451 /nfs/dbraw/zinc/04/54/51/964045451.db2.gz QVNVZQBWPBRAHZ-KBXCAEBGSA-N -1 0 313.397 3.249 20 30 DGEDRM C=C(C)C[C@@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001588442987 964060235 /nfs/dbraw/zinc/06/02/35/964060235.db2.gz WNZLNHCRSNYHMQ-SECBINFHSA-N -1 0 309.387 3.060 20 30 DGEDRM C=CCC(C)(C)CNC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000319852986 970579575 /nfs/dbraw/zinc/57/95/75/970579575.db2.gz VALLOPDRPAPQOV-ZDUSSCGKSA-N -1 0 310.438 3.121 20 30 DGEDRM N#Cc1ccc(CSCCC(=O)[O-])c(Br)c1 ZINC001605611083 973913505 /nfs/dbraw/zinc/91/35/05/973913505.db2.gz CJYSLMJEJQTPCR-UHFFFAOYSA-N -1 0 300.177 3.029 20 30 DGEDRM N#Cc1ccccc1OCCN1CC[C@H](C(=O)[O-])c2ccccc21 ZINC001605619641 973938428 /nfs/dbraw/zinc/93/84/28/973938428.db2.gz CNKUIQULIWRWGS-INIZCTEOSA-N -1 0 322.364 3.016 20 30 DGEDRM N#Cc1sc(N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)nc1Cl ZINC001605625882 973950619 /nfs/dbraw/zinc/95/06/19/973950619.db2.gz CFUILRIHCXQZNG-VHSXEESVSA-N -1 0 319.773 3.393 20 30 DGEDRM CCOc1ccc(C#N)cc1NCc1ccc(C(=O)[O-])s1 ZINC001603861714 974365589 /nfs/dbraw/zinc/36/55/89/974365589.db2.gz AFVWLHPABXJGOA-UHFFFAOYSA-N -1 0 302.355 3.329 20 30 DGEDRM CC(C)c1cccc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1 ZINC001591992028 976622611 /nfs/dbraw/zinc/62/26/11/976622611.db2.gz OTNKGPROAIFRHW-UHFFFAOYSA-N -1 0 315.373 3.032 20 30 DGEDRM CC(C)c1cccc2c1OC/C(=C\c1c[nH]c(C(=O)[O-])c1)C2=O ZINC001591994188 976628340 /nfs/dbraw/zinc/62/83/40/976628340.db2.gz IZFLPLYKGYJMBF-WUXMJOGZSA-N -1 0 311.337 3.495 20 30 DGEDRM CC(C)c1csc(Sc2ccc(C(=O)[O-])nc2C#N)n1 ZINC001592009042 976684202 /nfs/dbraw/zinc/68/42/02/976684202.db2.gz XAPCEJADRCLELA-UHFFFAOYSA-N -1 0 305.384 3.383 20 30 DGEDRM CC(C)c1noc([C@@H](C)ON=Cc2ccc(C(=O)[O-])cc2)n1 ZINC001592093843 976849834 /nfs/dbraw/zinc/84/98/34/976849834.db2.gz UWLLIEKOVGSYQW-SNVBAGLBSA-N -1 0 303.318 3.003 20 30 DGEDRM CC(CCC(=O)[O-])N=Nc1ncc(C(F)(F)F)cc1Cl ZINC001592470316 978220671 /nfs/dbraw/zinc/22/06/71/978220671.db2.gz JMVFAYVAXJXVJU-UHFFFAOYSA-N -1 0 309.675 3.406 20 30 DGEDRM CCC(CC)(CC(=O)[O-])C(=O)OCc1ccc(C#N)cc1F ZINC001595048667 979267200 /nfs/dbraw/zinc/26/72/00/979267200.db2.gz GNTPAWBNHLMXAR-UHFFFAOYSA-N -1 0 307.321 3.022 20 30 DGEDRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1cc(C#N)c(F)cc1C ZINC001595050841 979281563 /nfs/dbraw/zinc/28/15/63/979281563.db2.gz DSVKGDZXLZYGJA-UHFFFAOYSA-N -1 0 321.352 3.161 20 30 DGEDRM CCC(CC)CN(CCC#N)C(=O)c1cc(C(=O)[O-])oc1C ZINC001595111757 979459565 /nfs/dbraw/zinc/45/95/65/979459565.db2.gz TWZTXIXXEKMXOM-UHFFFAOYSA-N -1 0 306.362 3.078 20 30 DGEDRM CCC[C@H](C(=O)N(CC#N)CCC(=O)[O-])c1cccc(Cl)c1 ZINC001595533152 981374764 /nfs/dbraw/zinc/37/47/64/981374764.db2.gz SUJPHTOKVDOKED-AWEZNQCLSA-N 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314.316 3.442 20 30 DGEDRM N#Cc1ccc(C(F)(F)F)nc1NC1CCC(C(=O)[O-])CC1 ZINC000262312622 165797365 /nfs/dbraw/zinc/79/73/65/165797365.db2.gz PYSRYPDIQLLAPV-UHFFFAOYSA-N -1 0 313.279 3.027 20 30 DGEDRM Cc1ccc(-c2cc(NC(=O)c3ccc(C#N)c([O-])c3)n[nH]2)s1 ZINC000190861968 432195283 /nfs/dbraw/zinc/19/52/83/432195283.db2.gz NKJYSVMDYGYTDG-UHFFFAOYSA-N -1 0 324.365 3.276 20 30 DGEDRM COc1csc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000190932733 432201543 /nfs/dbraw/zinc/20/15/43/432201543.db2.gz XRAOEOLJYOHOHI-NSHDSACASA-N -1 0 309.350 3.190 20 30 DGEDRM CCc1noc(C)c1Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000153451297 227087206 /nfs/dbraw/zinc/08/72/06/227087206.db2.gz RTDMNPFESXUYKE-UHFFFAOYSA-N -1 0 316.405 3.250 20 30 DGEDRM Cc1csc(C(C#N)=C([O-])c2cnn(CCC(C)C)c2C)n1 ZINC000160048113 228244630 /nfs/dbraw/zinc/24/46/30/228244630.db2.gz PBJIJXATRSKNAN-ZDUSSCGKSA-N -1 0 316.430 3.493 20 30 DGEDRM Cc1ocnc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000171530158 228271604 /nfs/dbraw/zinc/27/16/04/228271604.db2.gz 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20 30 DGEDRM C[C@@H]1CCC[C@H]1CC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001604727564 1193091431 /nfs/dbraw/zinc/09/14/31/1193091431.db2.gz VUONXLSBLCHGAP-DIOULYMOSA-N -1 0 301.342 3.053 20 30 DGEDRM Cc1cc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)c(C)s1 ZINC001357545388 1181407401 /nfs/dbraw/zinc/40/74/01/1181407401.db2.gz VYOCLHGLKXVEJD-CYBMUJFWSA-N -1 0 322.393 3.380 20 30 DGEDRM COc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)ccn1 ZINC001357568737 1181409555 /nfs/dbraw/zinc/40/95/55/1181409555.db2.gz SEUQKDABGWJWEN-LLVKDONJSA-N -1 0 301.371 3.160 20 30 DGEDRM CCC(CC)(C(=O)[O-])C(=O)CSc1cccc(F)c1C#N ZINC001604987019 1193103868 /nfs/dbraw/zinc/10/38/68/1193103868.db2.gz FZLVRGISEMNSNH-UHFFFAOYSA-N -1 0 309.362 3.250 20 30 DGEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1cccc(Cl)c1C ZINC001362018838 1181662599 /nfs/dbraw/zinc/66/25/99/1181662599.db2.gz ZHPIJRQHAAPIFE-UHFFFAOYSA-N -1 0 301.733 3.181 20 30 DGEDRM CC[C@@H]1c2ccccc2CCN1C(=O)c1[n-]c(=O)c(C#N)cc1C ZINC001362203882 1181663641 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CCc1ccc(C#CC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)cc1 ZINC001605803767 1193175186 /nfs/dbraw/zinc/17/51/86/1193175186.db2.gz AKIQPPZMEGZJJJ-AWEZNQCLSA-N -1 0 321.376 3.427 20 30 DGEDRM CCc1noc(C)c1C(C)=NNc1cccc(C(=O)[O-])c1F ZINC001605874422 1193181760 /nfs/dbraw/zinc/18/17/60/1193181760.db2.gz VYWAUXVHDUCXHK-UHFFFAOYSA-N -1 0 305.309 3.219 20 30 DGEDRM C=CCC1(NS(=O)(=O)c2cc([O-])cc(F)c2)CCCCC1 ZINC001463704400 1183041674 /nfs/dbraw/zinc/04/16/74/1183041674.db2.gz OCKNWZDZXVNPFW-UHFFFAOYSA-N -1 0 313.394 3.089 20 30 DGEDRM Cn1c(C#N)ccc1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC001466105195 1183188684 /nfs/dbraw/zinc/18/86/84/1183188684.db2.gz AREGBQWFUQRQFB-UHFFFAOYSA-N -1 0 310.140 3.161 20 30 DGEDRM C=C(C)CON=C([O-])Nc1nnc(-c2cc(F)ccc2C)s1 ZINC001466402097 1183201959 /nfs/dbraw/zinc/20/19/59/1183201959.db2.gz PVPHNAQQPWCVNA-UHFFFAOYSA-N -1 0 322.365 3.282 20 30 DGEDRM CC(=O)c1ccc([O-])c(NC(=O)C=CC(=O)c2ccc(C)cc2)c1 ZINC001466522951 1183209203 /nfs/dbraw/zinc/20/92/03/1183209203.db2.gz 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1183537807 /nfs/dbraw/zinc/53/78/07/1183537807.db2.gz VVZBFAKRQXKEPR-UHFFFAOYSA-N -1 0 300.745 3.173 20 30 DGEDRM Cc1c(C(=O)[O-])cc(C=NNc2ccc(C#N)c(Cl)c2)n1C ZINC001607510625 1193234021 /nfs/dbraw/zinc/23/40/21/1193234021.db2.gz AHRGLGVFLLGAIO-UHFFFAOYSA-N -1 0 316.748 3.003 20 30 DGEDRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C#N)CCc1ccccc1 ZINC001607596372 1193238927 /nfs/dbraw/zinc/23/89/27/1193238927.db2.gz UODADRGOJWNKTJ-INIZCTEOSA-N -1 0 322.364 3.404 20 30 DGEDRM Cc1cc(C(=O)[O-])oc1C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC001607603560 1193239623 /nfs/dbraw/zinc/23/96/23/1193239623.db2.gz PRAJTCNISUNTFT-UHFFFAOYSA-N -1 0 304.689 3.064 20 30 DGEDRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1sccc1C#N ZINC001607618199 1193241179 /nfs/dbraw/zinc/24/11/79/1193241179.db2.gz UPBRFLKOPMMNLL-UHFFFAOYSA-N -1 0 300.339 3.187 20 30 DGEDRM Cc1cc(C)c2c(c1)C(=O)/C(=C\c1cccc(C(=O)[O-])n1)CCO2 ZINC001607621452 1193242342 /nfs/dbraw/zinc/24/23/42/1193242342.db2.gz ZUWQWVUNAYHAOA-RAXLEYEMSA-N -1 0 323.348 3.445 20 30 DGEDRM Cc1cc(C)nc(N=NC2CCC[C@H](CCCC(=O)[O-])C2)n1 ZINC001607632507 1193242652 /nfs/dbraw/zinc/24/26/52/1193242652.db2.gz MYYYWIXCHILBLY-CYBMUJFWSA-N -1 0 304.394 3.306 20 30 DGEDRM Cc1cc(COc2nc(C(C)(C)C)ccc2C#N)oc1C(=O)[O-] ZINC001607651449 1193245081 /nfs/dbraw/zinc/24/50/81/1193245081.db2.gz UXOLQDNFYAIQLZ-UHFFFAOYSA-N -1 0 314.341 3.429 20 30 DGEDRM Cc1cc(/C=C\C(=O)c2cnn(C3CCCC3)c2)oc1C(=O)[O-] ZINC001607634478 1193242968 /nfs/dbraw/zinc/24/29/68/1193242968.db2.gz IGFMEPXKVZCALE-SREVYHEPSA-N -1 0 314.341 3.494 20 30 DGEDRM Cc1cc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)nn1[C@@H](C)C1CC1 ZINC001607694240 1193248735 /nfs/dbraw/zinc/24/87/35/1193248735.db2.gz RAWMOSXIVKAKHP-YVEFUNNKSA-N -1 0 324.384 3.272 20 30 DGEDRM Cc1cc(OC(=O)Cc2ccc(C(=O)[O-])cc2)c(C)c(C)c1C#N ZINC001607700262 1193249443 /nfs/dbraw/zinc/24/94/43/1193249443.db2.gz YQFLDPKHIFRHID-UHFFFAOYSA-N -1 0 323.348 3.330 20 30 DGEDRM Cc1ccc(C(=O)N(CCC#N)CC(C)(C)C)cc1C(=O)[O-] ZINC001607725820 1193250968 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321.398 3.211 20 30 DGEDRM N#CCC1(COc2ccc(Br)cc2C(=O)[O-])CC1 ZINC000088255581 958049183 /nfs/dbraw/zinc/04/91/83/958049183.db2.gz XYRKSILJAIBPDI-UHFFFAOYSA-N -1 0 310.147 3.220 20 30 DGEDRM Cc1cc(NC(=O)c2cc(C)c(C#N)c(C)c2)ccc1C(=O)[O-] ZINC001594324539 958147142 /nfs/dbraw/zinc/14/71/42/958147142.db2.gz BMRIVGYIPSXKAQ-UHFFFAOYSA-N -1 0 308.337 3.434 20 30 DGEDRM Cc1cc(OC(=O)[C@H](C(=O)[O-])C(C)(C)C)c(C)c(C)c1C#N ZINC001594326566 958177870 /nfs/dbraw/zinc/17/78/70/958177870.db2.gz GQIUYVXUUISXAQ-AWEZNQCLSA-N -1 0 303.358 3.136 20 30 DGEDRM C=CC(C)(C)CC(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001588450232 958389080 /nfs/dbraw/zinc/38/90/80/958389080.db2.gz AHRIMNLNBXUWCT-UHFFFAOYSA-N -1 0 309.387 3.060 20 30 DGEDRM C=CCC[C@@H](C(=O)N(CC(=O)[O-])CC1CC1)c1ccccc1 ZINC001588456933 958439651 /nfs/dbraw/zinc/43/96/51/958439651.db2.gz BKGZUOZMOKGNOB-MRXNPFEDSA-N -1 0 301.386 3.060 20 30 DGEDRM C=CCCC1(CNC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)CCCC1 ZINC001588456944 958441721 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BTTRSHJKTBAVOM-UHFFFAOYSA-N -1 0 307.375 3.131 20 30 DGEDRM N#CCOc1cc(F)ccc1NCc1ccc(/C=C/C(=O)[O-])o1 ZINC001601073733 1192915883 /nfs/dbraw/zinc/91/58/83/1192915883.db2.gz KWNQYXSFVCHRBP-GQCTYLIASA-N -1 0 316.288 3.031 20 30 DGEDRM N#Cc1cc(COC(=O)CC2(CC(=O)[O-])CCCC2)ccc1F ZINC001601088545 1192917256 /nfs/dbraw/zinc/91/72/56/1192917256.db2.gz XQSTXLVAGRZRBG-UHFFFAOYSA-N -1 0 319.332 3.166 20 30 DGEDRM N#Cc1cc(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)cs1 ZINC001601086391 1192917324 /nfs/dbraw/zinc/91/73/24/1192917324.db2.gz NXTXBNBCJHGYSB-UHFFFAOYSA-N -1 0 324.720 3.363 20 30 DGEDRM N#Cc1c(COC(=O)C[C@H]2CCC(F)(F)C2)cccc1C(=O)[O-] ZINC001601083229 1192917386 /nfs/dbraw/zinc/91/73/86/1192917386.db2.gz BFAAKHCYHABEKV-SNVBAGLBSA-N -1 0 323.295 3.125 20 30 DGEDRM N#Cc1ccc(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)cc1 ZINC001601092973 1192917797 /nfs/dbraw/zinc/91/77/97/1192917797.db2.gz DUEBGVHBZFSLPN-UHFFFAOYSA-N -1 0 318.691 3.301 20 30 DGEDRM N#Cc1cc([N+](=O)[O-])c(Sc2ccc(C(=O)[O-])cc2)cc1F ZINC001601091162 1192918006 /nfs/dbraw/zinc/91/80/06/1192918006.db2.gz RTCWKNBKWXTTRJ-UHFFFAOYSA-N -1 0 318.285 3.455 20 30 DGEDRM N#Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1Cl ZINC001601093497 1192918015 /nfs/dbraw/zinc/91/80/15/1192918015.db2.gz QLWHSFNUHLRIMK-UHFFFAOYSA-N -1 0 318.691 3.301 20 30 DGEDRM N#Cc1ccc([C@@H](OC(=O)CC(C2CC2)C2CC2)C(=O)[O-])cc1 ZINC001601096327 1192918039 /nfs/dbraw/zinc/91/80/39/1192918039.db2.gz RUCHMGKXVZINNT-QGZVFWFLSA-N -1 0 313.353 3.053 20 30 DGEDRM N#Cc1cc(N[C@H]2CC[C@H](C(=O)[O-])C2)ccc1OC(F)(F)F ZINC001601090564 1192918163 /nfs/dbraw/zinc/91/81/63/1192918163.db2.gz HWIPYYAZMSTLEC-WPRPVWTQSA-N -1 0 314.263 3.122 20 30 DGEDRM N#Cc1ccc(CNc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)cc1F ZINC001601102611 1192918747 /nfs/dbraw/zinc/91/87/47/1192918747.db2.gz ULKDZOKNXQGZSE-JKSUJKDBSA-N -1 0 310.328 3.498 20 30 DGEDRM N#Cc1ccc(OCCNc2cc(F)cc(C(=O)[O-])c2F)cc1 ZINC001601109808 1192919304 /nfs/dbraw/zinc/91/93/04/1192919304.db2.gz NBMZVZTYYCVSCV-UHFFFAOYSA-N -1 0 318.279 3.026 20 30 DGEDRM N#Cc1cccc([C@@H](OC(=O)c2cccc(C3CC3)c2)C(=O)[O-])c1 ZINC001601117695 1192919462 /nfs/dbraw/zinc/91/94/62/1192919462.db2.gz OCIYIZLLKFSOBR-QGZVFWFLSA-N -1 0 321.332 3.418 20 30 DGEDRM N#Cc1cccc([C@@H](OC(=O)/C=C/c2cccs2)C(=O)[O-])c1 ZINC001601117796 1192920211 /nfs/dbraw/zinc/92/02/11/1192920211.db2.gz DYCLWDSWPVHHMV-LQYUOIDQSA-N -1 0 313.334 3.002 20 30 DGEDRM N#Cc1cccc(CNc2cc3ccccc3c(C(=O)[O-])c2)n1 ZINC001601123311 1192920400 /nfs/dbraw/zinc/92/04/00/1192920400.db2.gz UVKSDIUQAKPUNJ-UHFFFAOYSA-N -1 0 303.321 3.417 20 30 DGEDRM N#Cc1ccccc1NC(=S)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001601125247 1192920559 /nfs/dbraw/zinc/92/05/59/1192920559.db2.gz FZUSKSFQBJHNMH-UHFFFAOYSA-N -1 0 315.329 3.204 20 30 DGEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(F)cc2C(=O)[O-])c1 ZINC001601124839 1192920802 /nfs/dbraw/zinc/92/08/02/1192920802.db2.gz UQLYFRMMCPUREZ-UONOGXRCSA-N -1 0 324.311 3.138 20 30 DGEDRM N#Cc1nc(C(=O)[O-])ccc1N[C@H]1CCCc2c(F)cccc21 ZINC001601133790 1192920872 /nfs/dbraw/zinc/92/08/72/1192920872.db2.gz ZRTQWIUJOAAOSX-ZDUSSCGKSA-N -1 0 311.316 3.280 20 30 DGEDRM N#Cc1csc(/C=C\C(=O)c2ccc(Cl)cc2C(=O)[O-])n1 ZINC001601131048 1192920936 /nfs/dbraw/zinc/92/09/36/1192920936.db2.gz OILIKUYHOHJMFM-ARJAWSKDSA-N -1 0 318.741 3.262 20 30 DGEDRM N#Cc1nc(C(=O)[O-])ccc1Nc1cccc(C2CCOCC2)c1 ZINC001601134815 1192921318 /nfs/dbraw/zinc/92/13/18/1192921318.db2.gz ONBLWQGMBQQQNM-UHFFFAOYSA-N -1 0 323.352 3.289 20 30 DGEDRM Cc1cc(Cl)cc(C)c1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC001342865496 1179200655 /nfs/dbraw/zinc/20/06/55/1179200655.db2.gz PHAGDFZNZCIYRD-UHFFFAOYSA-N -1 0 310.762 3.222 20 30 DGEDRM CCSc1ccc(C([O-])=C(C#N)c2cccc(F)n2)cn1 ZINC001343311945 1179254742 /nfs/dbraw/zinc/25/47/42/1179254742.db2.gz IOBPHSACAYBJGJ-NSHDSACASA-N -1 0 301.346 3.218 20 30 DGEDRM CCC1(CC(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)COC1 ZINC001343389644 1179265570 /nfs/dbraw/zinc/26/55/70/1179265570.db2.gz FCHVJZQTSKYBKM-AWEZNQCLSA-N -1 0 324.380 3.185 20 30 DGEDRM Cc1sc(C([O-])=C(C#N)c2nccn2C)cc1Br ZINC001343849890 1179338897 /nfs/dbraw/zinc/33/88/97/1179338897.db2.gz AOSYWEBJFKVMEV-QMMMGPOBSA-N -1 0 324.203 3.043 20 30 DGEDRM CCc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)nn1C ZINC001345729899 1179599469 /nfs/dbraw/zinc/59/94/69/1179599469.db2.gz MCKWKQRRILOTAP-LLVKDONJSA-N -1 0 316.430 3.227 20 30 DGEDRM Cc1cc(F)ccc1C([O-])=C(C#N)c1nc(N)c2ccccc2n1 ZINC001346054109 1179644251 /nfs/dbraw/zinc/64/42/51/1179644251.db2.gz LKFAZFOOXCRYJE-CQSZACIVSA-N -1 0 320.327 3.150 20 30 DGEDRM O=C([O-])c1ccoc1CON=Cc1ccc(Br)cc1 ZINC001602487092 1192984148 /nfs/dbraw/zinc/98/41/48/1192984148.db2.gz CUKUPLMDCIGFOI-UHFFFAOYSA-N -1 0 324.130 3.291 20 30 DGEDRM O=C([O-])c1coc(C(=O)/C=C/c2ccn(-c3ccccc3)n2)c1 ZINC001602550013 1192987073 /nfs/dbraw/zinc/98/70/73/1192987073.db2.gz LDRRUCMDAKOOAY-VOTSOKGWSA-N -1 0 308.293 3.060 20 30 DGEDRM O=C([O-])c1coc(C(=O)/C=C/c2cccc3c2OCCCO3)c1 ZINC001602550291 1192987653 /nfs/dbraw/zinc/98/76/53/1192987653.db2.gz YXIFGZBWEYDPQV-AATRIKPKSA-N -1 0 314.293 3.035 20 30 DGEDRM C#C[C@H](NCc1cc(C(=O)[O-])oc1C)c1ccc(Cl)cc1 ZINC001602678698 1192994304 /nfs/dbraw/zinc/99/43/04/1192994304.db2.gz OWOMFUWQMZUZMD-AWEZNQCLSA-N -1 0 303.745 3.404 20 30 DGEDRM C#C[C@@H](NC(=O)c1ccsc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001602679164 1192994313 /nfs/dbraw/zinc/99/43/13/1192994313.db2.gz VECWHQIJRXATGZ-GFCCVEGCSA-N -1 0 319.769 3.204 20 30 DGEDRM C#C[C@@H](NCc1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1F ZINC001602679113 1192994316 /nfs/dbraw/zinc/99/43/16/1192994316.db2.gz UKHUJXUCUJBCSP-OAHLLOKOSA-N -1 0 318.735 3.036 20 30 DGEDRM CSc1cc(C([O-])=C(C#N)c2ncc(Cl)n2C)c(C)o1 ZINC001349701402 1179935588 /nfs/dbraw/zinc/93/55/88/1179935588.db2.gz FDJBEXMYFQTKDW-SECBINFHSA-N -1 0 309.778 3.187 20 30 DGEDRM C#CC[C@H](NC(=O)NCCCCCCC(=O)[O-])c1ccccc1 ZINC001602691835 1192994567 /nfs/dbraw/zinc/99/45/67/1192994567.db2.gz BGGTUYPEVVBQEX-INIZCTEOSA-N -1 0 316.401 3.085 20 30 DGEDRM C#CC[C@@H](OC(=O)CCc1ccccc1C(=O)[O-])C(C)(C)C ZINC001602698511 1192994992 /nfs/dbraw/zinc/99/49/92/1192994992.db2.gz JFZQSUXABTVOMK-OAHLLOKOSA-N -1 0 302.370 3.299 20 30 DGEDRM C#CCCCC(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001602702585 1192995195 /nfs/dbraw/zinc/99/51/95/1192995195.db2.gz HASRTBPMVJMKAE-CYBMUJFWSA-N -1 0 315.152 3.466 20 30 DGEDRM C#CCCCCC(=O)N[C@@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001602702459 1192995273 /nfs/dbraw/zinc/99/52/73/1192995273.db2.gz DUOYQAZKXIBAHK-KUHUBIRLSA-N -1 0 313.397 3.174 20 30 DGEDRM C=C(C)[C@H](CC(=O)Nc1c(C)sc(C)c1C(=O)[O-])OCC ZINC001602747622 1192996162 /nfs/dbraw/zinc/99/61/62/1192996162.db2.gz XEOMJDSESATKIU-NSHDSACASA-N -1 0 311.403 3.373 20 30 DGEDRM C=C(C)C[C@@H](NC(=O)c1cc2c(ccc3ccccc23)[nH]1)C(=O)[O-] ZINC001602754642 1192996212 /nfs/dbraw/zinc/99/62/12/1192996212.db2.gz PTANGYVMHBUXNY-QGZVFWFLSA-N -1 0 322.364 3.470 20 30 DGEDRM C=C(CC(C)C)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC001602772151 1192996719 /nfs/dbraw/zinc/99/67/19/1192996719.db2.gz MODCQVKGDPCYIZ-UHFFFAOYSA-N -1 0 311.765 3.344 20 30 DGEDRM C=C(C)CN(Cc1ccccc1)C(=O)c1csc(C(=O)[O-])n1 ZINC001602762225 1192996870 /nfs/dbraw/zinc/99/68/70/1192996870.db2.gz YZKSITOERZQELA-UHFFFAOYSA-N -1 0 316.382 3.060 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 ZINC001602786113 1192997344 /nfs/dbraw/zinc/99/73/44/1192997344.db2.gz VCANITXUUKXEDB-UHFFFAOYSA-N -1 0 314.341 3.318 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc2ccn(CCC)c2c1 ZINC001602785608 1192997421 /nfs/dbraw/zinc/99/74/21/1192997421.db2.gz ATONGTFCVLVLOY-UHFFFAOYSA-N -1 0 300.358 3.411 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)Nc1nc2c(s1)C[C@@H](CC)CC2 ZINC001602787675 1192997442 /nfs/dbraw/zinc/99/74/42/1192997442.db2.gz PIFHOZRXRMUPNH-JTQLQIEISA-N -1 0 308.403 3.018 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)N1CC[C@H](c2ccccc2)[C@@H](CC)C1 ZINC001602775962 1192997535 /nfs/dbraw/zinc/99/75/35/1192997535.db2.gz KWDILPDPKLPUJC-RDJZCZTQSA-N -1 0 315.413 3.450 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)N1CCC(c2cc(C)cc(C)c2)CC1 ZINC001602775985 1192997665 /nfs/dbraw/zinc/99/76/65/1192997665.db2.gz LJHTZFHLDDDSHD-UHFFFAOYSA-N -1 0 315.413 3.430 20 30 DGEDRM C=C[C@@H](C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1)c1ccccc1 ZINC001602804958 1192997882 /nfs/dbraw/zinc/99/78/82/1192997882.db2.gz VRMCWBIGXGHAKC-GFCCVEGCSA-N -1 0 321.336 3.169 20 30 DGEDRM C=C[C@@H](C(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC001602803801 1192998108 /nfs/dbraw/zinc/99/81/08/1192998108.db2.gz HYKBFFPBDAKKNG-MRXNPFEDSA-N -1 0 311.337 3.058 20 30 DGEDRM C=CC(C)(C)CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001602807395 1192998186 /nfs/dbraw/zinc/99/81/86/1192998186.db2.gz JEQWSBLTPPZRRR-UHFFFAOYSA-N -1 0 306.318 3.142 20 30 DGEDRM C=C1CCC(CNC(=O)Nc2cccc(OCC(=O)[O-])c2)CC1 ZINC001602792258 1192998332 /nfs/dbraw/zinc/99/83/32/1192998332.db2.gz SWJWDDUBZHKJQF-UHFFFAOYSA-N -1 0 318.373 3.018 20 30 DGEDRM C=CC[C@H]1CCN1C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001602855273 1193000138 /nfs/dbraw/zinc/00/01/38/1193000138.db2.gz LHZIDTUDKNHZCW-VIFPVBQESA-N -1 0 312.728 3.360 20 30 DGEDRM C=CC[C@@H](Sc1ncnc2sc3c(c21)CCC3)C(=O)[O-] ZINC001602848871 1193000312 /nfs/dbraw/zinc/00/03/12/1193000312.db2.gz HJEZXKALIAQXKX-SNVBAGLBSA-N -1 0 306.412 3.301 20 30 DGEDRM C=CCCC[C@@H](C)NC(=O)Nc1cccc(C(=O)[O-])c1OC ZINC001602861065 1193000545 /nfs/dbraw/zinc/00/05/45/1193000545.db2.gz ZIUBCBRVEGQXFN-LLVKDONJSA-N -1 0 306.362 3.260 20 30 DGEDRM C=CCCC[C@@H](NC(=O)[C@@H](C)Cc1cccc(Cl)c1)C(=O)[O-] ZINC001602864268 1193000602 /nfs/dbraw/zinc/00/06/02/1193000602.db2.gz ZFQRWQKPZPEDKG-SWLSCSKDSA-N -1 0 323.820 3.444 20 30 DGEDRM C=CCCOCCCCC(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001602881225 1193001274 /nfs/dbraw/zinc/00/12/74/1193001274.db2.gz WJDDLLUOLXEZTA-UHFFFAOYSA-N -1 0 309.337 3.225 20 30 DGEDRM C=CCCC[C@H](NC(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC001602873566 1193001430 /nfs/dbraw/zinc/00/14/30/1193001430.db2.gz XNHIMDKJAGQFRL-ZDUSSCGKSA-N -1 0 319.332 3.420 20 30 DGEDRM C=CCN(C(=O)Nc1cc(C(=O)[O-])c(C)cc1C)[C@H](C)COC ZINC001602886895 1193001643 /nfs/dbraw/zinc/00/16/43/1193001643.db2.gz CBODNAQOPJSQLH-CYBMUJFWSA-N -1 0 320.389 3.056 20 30 DGEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)C(=C)CCC(=O)[O-] ZINC001602894164 1193002090 /nfs/dbraw/zinc/00/20/90/1193002090.db2.gz WDMSEKFOICRKIJ-UHFFFAOYSA-N -1 0 313.806 3.337 20 30 DGEDRM C=CCn1c(S[C@@H](C(=O)[O-])[C@H](C)CC)nnc1-c1ccco1 ZINC001602937087 1193002860 /nfs/dbraw/zinc/00/28/60/1193002860.db2.gz OALXLHAKUKCVPQ-ZYHUDNBSSA-N -1 0 321.402 3.316 20 30 DGEDRM CC(N=Nc1ccc(F)cc1F)c1ccc(OCC(=O)[O-])cc1 ZINC001602992142 1193005125 /nfs/dbraw/zinc/00/51/25/1193005125.db2.gz KSVROIFIGMGYOZ-UHFFFAOYSA-N -1 0 320.295 3.264 20 30 DGEDRM CC(=NNc1ccc(F)c(C(=O)[O-])c1)c1ccnn1C1CCC1 ZINC001602992141 1193005224 /nfs/dbraw/zinc/00/52/24/1193005224.db2.gz KQMDBYWALIUMIY-UHFFFAOYSA-N -1 0 316.336 3.282 20 30 DGEDRM CC(=O)Nc1ccc(C)cc1NCc1cccc(C(=O)[O-])c1C#N ZINC001603069770 1193006723 /nfs/dbraw/zinc/00/67/23/1193006723.db2.gz NIYRSLXGAXXFCK-UHFFFAOYSA-N -1 0 323.352 3.135 20 30 DGEDRM CC(=O)c1ccc(C#N)cc1NC[C@@H](C(=O)[O-])c1ccccc1 ZINC001603107430 1193007214 /nfs/dbraw/zinc/00/72/14/1193007214.db2.gz HBSLMTGEQPYRRK-MRXNPFEDSA-N -1 0 308.337 3.041 20 30 DGEDRM C=CCC[C@@H](NC(=O)N[C@H](CC=C)C(=O)[O-])c1ccccc1 ZINC001351009684 1180158331 /nfs/dbraw/zinc/15/83/31/1180158331.db2.gz BPJDRSODTPYUAX-HUUCEWRRSA-N -1 0 302.374 3.022 20 30 DGEDRM C[C@@H](C(=O)[O-])c1cccc(NCCOc2cccc(C#N)c2)c1 ZINC001603221505 1193011695 /nfs/dbraw/zinc/01/16/95/1193011695.db2.gz NBWZYXOBRIJBNA-CYBMUJFWSA-N -1 0 310.353 3.237 20 30 DGEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CCCCCC2)o1 ZINC001603406362 1193017396 /nfs/dbraw/zinc/01/73/96/1193017396.db2.gz FPCVGAKOQZWTKM-UHFFFAOYSA-N -1 0 303.370 3.100 20 30 DGEDRM CC(C)(C)OC1CC(CCNc2ccc(C(=O)[O-])nc2C#N)C1 ZINC001603507492 1193018951 /nfs/dbraw/zinc/01/89/51/1193018951.db2.gz SCROECZOPWUHOX-UHFFFAOYSA-N -1 0 317.389 3.047 20 30 DGEDRM C=CC[S@@](=O)(=NC(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC001603519084 1193019616 /nfs/dbraw/zinc/01/96/16/1193019616.db2.gz VHKAOJKXRYDXMD-QFIPXVFZSA-N -1 0 319.357 3.385 20 30 DGEDRM CC(C)(C)c1coc(CN=Nc2cccc(F)c2C(=O)[O-])n1 ZINC001603549207 1193020579 /nfs/dbraw/zinc/02/05/79/1193020579.db2.gz JUJKBPZMNGALTP-UHFFFAOYSA-N -1 0 305.309 3.255 20 30 DGEDRM CC(C)CN(CC(C)(C)C(=O)[O-])c1snc(Cl)c1C#N ZINC001603810140 1193032968 /nfs/dbraw/zinc/03/29/68/1193032968.db2.gz SZRFNGVWMZDJKM-UHFFFAOYSA-N -1 0 315.826 3.241 20 30 DGEDRM CC(C)c1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)nc1 ZINC001603997408 1193043244 /nfs/dbraw/zinc/04/32/44/1193043244.db2.gz ZIYZJYOOINYMGK-MRXNPFEDSA-N -1 0 324.336 3.059 20 30 DGEDRM CC(C)c1ccccc1/C=C1\CCn2nc(C(=O)[O-])cc2C1=O ZINC001604009826 1193044283 /nfs/dbraw/zinc/04/42/83/1193044283.db2.gz DBVRYBGLYIWASQ-UKTHLTGXSA-N -1 0 310.353 3.375 20 30 DGEDRM Cc1csc([N-]S(=O)(=O)c2cccc(C)c2F)c1C#N ZINC001200650268 1180785000 /nfs/dbraw/zinc/78/50/00/1180785000.db2.gz JFVRKHSKVVODKT-UHFFFAOYSA-N -1 0 310.375 3.177 20 30 DGEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)OCc1cccc(C(=O)[O-])c1 ZINC001604217098 1193061076 /nfs/dbraw/zinc/06/10/76/1193061076.db2.gz FMNYQLSLLZOMES-ZDUSSCGKSA-N -1 0 323.348 3.178 20 30 DGEDRM C#Cc1cc([N-]S(=O)(=O)c2cccc(C)c2F)ccc1F ZINC001200797921 1180918028 /nfs/dbraw/zinc/91/80/28/1180918028.db2.gz BXWJVMURUXVKCW-UHFFFAOYSA-N -1 0 307.321 3.055 20 30 DGEDRM C[C@H](OC(=O)c1cccc(CC(=O)[O-])c1)c1ccc(C#N)cc1 ZINC001604418610 1193071942 /nfs/dbraw/zinc/07/19/42/1193071942.db2.gz SMJDSPUURXIGFW-LBPRGKRZSA-N -1 0 309.321 3.103 20 30 DGEDRM C[C@@]1(C#N)CCN(Cc2ccc(C(=O)[O-])cc2C(F)(F)F)C1 ZINC001604483312 1193075189 /nfs/dbraw/zinc/07/51/89/1193075189.db2.gz PLUSGOLWEXMLQF-AWEZNQCLSA-N -1 0 312.291 3.139 20 30 DGEDRM CC1(C)CC(CC(=O)OCc2cccc(C(=O)[O-])c2C#N)C1 ZINC001604513998 1193077244 /nfs/dbraw/zinc/07/72/44/1193077244.db2.gz FUDUUWPBXNALOE-UHFFFAOYSA-N -1 0 301.342 3.126 20 30 DGEDRM C[C@@H]1C[C@H](CC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC(C)(C)C1 ZINC001604663920 1193087021 /nfs/dbraw/zinc/08/70/21/1193087021.db2.gz BQEBUJBXEQVIMZ-ZIAGYGMSSA-N -1 0 320.433 3.056 20 30 DGEDRM COc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)ccn1 ZINC001357568740 1181409573 /nfs/dbraw/zinc/40/95/73/1181409573.db2.gz SEUQKDABGWJWEN-NSHDSACASA-N -1 0 301.371 3.160 20 30 DGEDRM CC(C)(C)c1csc(C([O-])=C(C#N)c2cccc(F)n2)n1 ZINC001357701280 1181419836 /nfs/dbraw/zinc/41/98/36/1181419836.db2.gz KMOVIFNRHWVRAC-SECBINFHSA-N -1 0 303.362 3.465 20 30 DGEDRM CC[C@H](C(=O)[O-])N(C(=O)c1ccc(C)c(C#N)c1)c1ccccc1 ZINC001604884464 1193098544 /nfs/dbraw/zinc/09/85/44/1193098544.db2.gz PSNKVJMEMOAXFB-QGZVFWFLSA-N -1 0 322.364 3.377 20 30 DGEDRM CC[C@H](C)n1ncc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1C ZINC001604980951 1193103623 /nfs/dbraw/zinc/10/36/23/1193103623.db2.gz MWDHHZYDMQKBCZ-MEDUHNTESA-N -1 0 312.373 3.272 20 30 DGEDRM C=CC[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000150199973 1181626777 /nfs/dbraw/zinc/62/67/77/1181626777.db2.gz FECRVDZHGWIIOC-LBPRGKRZSA-N -1 0 316.184 3.072 20 30 DGEDRM C=CC[C@@H](NC(=O)c1ccccc1SC(F)(F)F)C(=O)[O-] ZINC000150246982 1181626843 /nfs/dbraw/zinc/62/68/43/1181626843.db2.gz ZOZGDFWMJJZGMW-SECBINFHSA-N -1 0 319.304 3.058 20 30 DGEDRM CCC[C@H](NC(=O)c1[n-]c(=O)c(C#N)cc1C)c1ccccc1 ZINC001361616366 1181656650 /nfs/dbraw/zinc/65/66/50/1181656650.db2.gz AKKWOUFLJFMKLC-HNNXBMFYSA-N -1 0 309.369 3.239 20 30 DGEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C ZINC001361905150 1181660528 /nfs/dbraw/zinc/66/05/28/1181660528.db2.gz KOHCAGIVQZTPNB-KBPBESRZSA-N -1 0 315.417 3.302 20 30 DGEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CCC[C@H]1CCC(C)C ZINC001362031725 1181662202 /nfs/dbraw/zinc/66/22/02/1181662202.db2.gz OXWAVPKDKUBNQN-DZGCQCFKSA-N -1 0 315.417 3.302 20 30 DGEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@]1(C)c1ccccc1 ZINC001363530734 1181673558 /nfs/dbraw/zinc/67/35/58/1181673558.db2.gz CKGSCBOOHJJCRK-LJQANCHMSA-N -1 0 321.380 3.119 20 30 DGEDRM COc1cc(C)ccc1C(=O)C=Cc1cccc(-c2nn[nH]n2)c1 ZINC001605203131 1193128124 /nfs/dbraw/zinc/12/81/24/1193128124.db2.gz WLXHOCZRFODVCE-CLFYSBASSA-N -1 0 320.352 3.080 20 30 DGEDRM CCCC[C@H](ON=C(C)C)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001605248763 1193134423 /nfs/dbraw/zinc/13/44/23/1193134423.db2.gz AKBMNVQMOFOCHY-NSHDSACASA-N -1 0 312.391 3.356 20 30 DGEDRM CCCCCCCNC(=O)Nc1cccc(C(=O)[O-])c1OC ZINC001605266992 1193137496 /nfs/dbraw/zinc/13/74/96/1193137496.db2.gz BAUAIQUKUDRPIZ-UHFFFAOYSA-N -1 0 308.378 3.485 20 30 DGEDRM CC[C@@H](C)[C@@H](C)N(C(=O)c1[n-]c(=O)c(C#N)cc1C)C1CC1 ZINC001443712381 1182106978 /nfs/dbraw/zinc/10/69/78/1182106978.db2.gz ODPSCRONLGGTIB-ZYHUDNBSSA-N -1 0 301.390 3.007 20 30 DGEDRM Cc1ccc(CNC(=O)c2ccc3[n-]c(=S)oc3c2)cc1C#N ZINC001455558868 1182375241 /nfs/dbraw/zinc/37/52/41/1182375241.db2.gz BGKPPSXCPIJOKX-UHFFFAOYSA-N -1 0 323.377 3.227 20 30 DGEDRM CCOc1ccc(C#N)cc1N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001605677899 1193164544 /nfs/dbraw/zinc/16/45/44/1193164544.db2.gz NVCMUJNBPNODEA-SECBINFHSA-N -1 0 317.370 3.285 20 30 DGEDRM CCOCc1ccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC001605642406 1193161351 /nfs/dbraw/zinc/16/13/51/1193161351.db2.gz OZWMHNSXRMCPSI-KRWDZBQOSA-N -1 0 310.353 3.333 20 30 DGEDRM Cc1cc(Cl)c(NC(=O)c2[n-]c(=O)c(C#N)cc2C)cc1C ZINC001468291401 1183323813 /nfs/dbraw/zinc/32/38/13/1183323813.db2.gz IRCFSWJAIOMFOP-UHFFFAOYSA-N -1 0 315.760 3.490 20 30 DGEDRM COc1cc(NC(=O)c2c(C)cc(C#N)cc2C)ccc1C(=O)[O-] ZINC001607179079 1193216696 /nfs/dbraw/zinc/21/66/96/1193216696.db2.gz ODFBPGVPYUKELW-UHFFFAOYSA-N -1 0 324.336 3.134 20 30 DGEDRM COc1ccc(CS[C@@H](C)c2nc(C(=O)[O-])co2)cc1C#N ZINC001607263909 1193221332 /nfs/dbraw/zinc/22/13/32/1193221332.db2.gz XPFOZJCNQGHJEC-VIFPVBQESA-N -1 0 318.354 3.247 20 30 DGEDRM C[C@@H]1CC[C@](C)(/C=C/C(=O)Nc2nc(C#N)c(C#N)[n-]2)C1(C)C ZINC001469565904 1183418413 /nfs/dbraw/zinc/41/84/13/1183418413.db2.gz GHBTVLNFXSFCNF-YDPLOHEISA-N -1 0 311.389 3.110 20 30 DGEDRM C=C(C)CO[N-]C(=O)COc1ccccc1Cc1ccccc1 ZINC001469741815 1183434190 /nfs/dbraw/zinc/43/41/90/1183434190.db2.gz BUZOJBCLVVDCAT-UHFFFAOYSA-N -1 0 311.381 3.280 20 30 DGEDRM COc1cccc2cc(C(=O)/C=C/c3cccc(C(=O)[O-])n3)oc21 ZINC001607333893 1193225019 /nfs/dbraw/zinc/22/50/19/1193225019.db2.gz ICYSTOFGSFWDGE-CMDGGOBGSA-N -1 0 323.304 3.431 20 30 DGEDRM Cc1c(C#N)cccc1NC(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001607504653 1193233066 /nfs/dbraw/zinc/23/30/66/1193233066.db2.gz RNOJCUAAWHFPNA-HNNXBMFYSA-N -1 0 315.373 3.022 20 30 DGEDRM Cc1cc(C(=O)[O-])cc(C(=O)OC[C@H](C#N)Cc2ccccc2)c1 ZINC001607590284 1193238381 /nfs/dbraw/zinc/23/83/81/1193238381.db2.gz SGCZIMLSUHSOGQ-HNNXBMFYSA-N -1 0 323.348 3.233 20 30 DGEDRM Cc1c(F)cc(C(=O)[O-])cc1OC(=O)c1sccc1CC#N ZINC001607531029 1193235853 /nfs/dbraw/zinc/23/58/53/1193235853.db2.gz CPDHLOGJWDUDTO-UHFFFAOYSA-N -1 0 319.313 3.179 20 30 DGEDRM Cc1cc(C#N)cc(C)c1C(=O)O[C@H](C)c1cc(C(=O)[O-])co1 ZINC001607564614 1193237712 /nfs/dbraw/zinc/23/77/12/1193237712.db2.gz NNNLRNSCKZHNPO-LLVKDONJSA-N -1 0 313.309 3.384 20 30 DGEDRM Cc1cc(NC(=O)[C@H](C#N)CCc2ccccc2)cc(C(=O)[O-])c1 ZINC001607675742 1193246686 /nfs/dbraw/zinc/24/66/86/1193246686.db2.gz MRGGUGLOGIDUDO-HNNXBMFYSA-N -1 0 322.364 3.404 20 30 DGEDRM Cc1cc(OC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c(C)c(C)c1C#N ZINC001607699436 1193249880 /nfs/dbraw/zinc/24/98/80/1193249880.db2.gz OAQBGLJRNPCILT-KBPBESRZSA-N -1 0 315.369 3.280 20 30 DGEDRM Cc1ccc(-c2n[nH]cc2C=NNc2ccc(C)c(C(=O)[O-])c2)o1 ZINC001607717099 1193250441 /nfs/dbraw/zinc/25/04/41/1193250441.db2.gz MCRODHCCQCDEGR-UHFFFAOYSA-N -1 0 324.340 3.431 20 30 DGEDRM Cc1ccc(C(=O)/C=C\c2cc(C(=O)[O-])co2)cc1[N+](=O)[O-] ZINC001607725018 1193250923 /nfs/dbraw/zinc/25/09/23/1193250923.db2.gz KEWGUJREHFWKNH-PLNGDYQASA-N -1 0 301.254 3.091 20 30 DGEDRM Cc1ccc(C#N)cc1NC(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001607724292 1193250982 /nfs/dbraw/zinc/25/09/82/1193250982.db2.gz LAYZKTLZYONIEB-HNNXBMFYSA-N -1 0 315.373 3.022 20 30 DGEDRM Cc1oc(C#N)cc1C(=O)N1CCCc2c(C)ccc(C(=O)[O-])c21 ZINC001607738111 1193252175 /nfs/dbraw/zinc/25/21/75/1193252175.db2.gz GVXNNQQSPDIQMT-UHFFFAOYSA-N -1 0 324.336 3.059 20 30 DGEDRM Cc1ccc(COC(=O)[C@@]2(C#N)CC23CCCC3)cc1C(=O)[O-] ZINC001607783838 1193256814 /nfs/dbraw/zinc/25/68/14/1193256814.db2.gz CNUBZCOJRUYNKC-SFHVURJKSA-N -1 0 313.353 3.211 20 30 DGEDRM Cc1sc(C)c(C(=O)[O-])c1NC(=O)N1CCC[C@@H](CC#N)C1 ZINC001608064749 1193276994 /nfs/dbraw/zinc/27/69/94/1193276994.db2.gz VKNZXCLZQGFZGC-NSHDSACASA-N -1 0 321.402 3.221 20 30 DGEDRM Cc1sc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)c(C#N)c1C ZINC001608070924 1193277593 /nfs/dbraw/zinc/27/75/93/1193277593.db2.gz CMHPIRJIXRBNET-UHFFFAOYSA-N -1 0 318.398 3.210 20 30 DGEDRM N#CC1(CNC(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CCC1 ZINC001608175000 1193280802 /nfs/dbraw/zinc/28/08/02/1193280802.db2.gz KWAKKZUJVHMNQO-UHFFFAOYSA-N -1 0 323.352 3.353 20 30 DGEDRM N#CC1(CCCCN2C[C@@H](C(=O)[O-])Oc3ccccc32)CCC1 ZINC001608175137 1193281096 /nfs/dbraw/zinc/28/10/96/1193281096.db2.gz QIVICOIYHQDCSG-INIZCTEOSA-N -1 0 314.385 3.203 20 30 DGEDRM N#CC1(COC(=O)/C=C/c2ccc(C(=O)[O-])o2)CCCCC1 ZINC001608175966 1193281241 /nfs/dbraw/zinc/28/12/41/1193281241.db2.gz RGHXXBDAERLPQY-FNORWQNLSA-N -1 0 303.314 3.008 20 30 DGEDRM N#CCCCCCC(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC001608180138 1193281418 /nfs/dbraw/zinc/28/14/18/1193281418.db2.gz HWGIJDIOPIMIHQ-OAHLLOKOSA-N -1 0 302.374 3.183 20 30 DGEDRM N#CCCCC(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC001608180582 1193281469 /nfs/dbraw/zinc/28/14/69/1193281469.db2.gz UMBXQZTUUMMCTE-MRXNPFEDSA-N -1 0 310.353 3.166 20 30 DGEDRM N#CCN(CCC(=O)[O-])Cc1ccc(OCc2ccccc2)cc1 ZINC001608186025 1193281508 /nfs/dbraw/zinc/28/15/08/1193281508.db2.gz AGGIFSUMWPXBRN-UHFFFAOYSA-N -1 0 324.380 3.066 20 30 DGEDRM N#Cc1cc([N+](=O)[O-])cnc1Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001608198639 1193282253 /nfs/dbraw/zinc/28/22/53/1193282253.db2.gz RRDGTMVOJFHWPN-UHFFFAOYSA-N -1 0 319.660 3.005 20 30 DGEDRM N#Cc1c(F)cccc1N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC001608194162 1193282258 /nfs/dbraw/zinc/28/22/58/1193282258.db2.gz LEVQWODCRNHASM-UHFFFAOYSA-N -1 0 318.735 3.442 20 30 DGEDRM N#Cc1cc(Cl)cc(OCc2cccc(C(=O)[O-])c2C#N)c1 ZINC001608196484 1193282262 /nfs/dbraw/zinc/28/22/62/1193282262.db2.gz CTSMPUDIBVKNLH-UHFFFAOYSA-N -1 0 312.712 3.361 20 30 DGEDRM N#CCc1ccsc1C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC001608189459 1193282368 /nfs/dbraw/zinc/28/23/68/1193282368.db2.gz UJZLWHIYYHTZMN-UHFFFAOYSA-N -1 0 320.757 3.418 20 30 DGEDRM N#CCc1cccc(C(=O)N2CCCc3c(C(=O)[O-])cccc32)c1 ZINC001608189936 1193282396 /nfs/dbraw/zinc/28/23/96/1193282396.db2.gz VHDYPXSSMLRNDL-UHFFFAOYSA-N -1 0 320.348 3.044 20 30 DGEDRM N#Cc1c(CNc2cc(F)c(F)cc2F)cccc1C(=O)[O-] ZINC001608191492 1193282523 /nfs/dbraw/zinc/28/25/23/1193282523.db2.gz WNXFEJNTRGSCMJ-UHFFFAOYSA-N -1 0 306.243 3.286 20 30 DGEDRM N#Cc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2Cl)c(F)c1 ZINC001608207361 1193282914 /nfs/dbraw/zinc/28/29/14/1193282914.db2.gz GLGNFOMYSAQBPG-OAHLLOKOSA-N -1 0 318.735 3.266 20 30 DGEDRM N#Cc1ccc(Cl)c(C(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC001608206341 1193283314 /nfs/dbraw/zinc/28/33/14/1193283314.db2.gz UWMYGIMZOJIMRI-UHFFFAOYSA-N -1 0 306.730 3.224 20 30 DGEDRM N#Cc1cccc(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001608216972 1193283490 /nfs/dbraw/zinc/28/34/90/1193283490.db2.gz DBRWTGHAOOWKKK-FNORWQNLSA-N -1 0 323.308 3.176 20 30 DGEDRM N#Cc1cccc([C@@H](Nc2ccc([C@@H]3CCOC3)cc2)C(=O)[O-])c1 ZINC001608215905 1193283597 /nfs/dbraw/zinc/28/35/97/1193283597.db2.gz UAKUMSRJIIYQBQ-SJLPKXTDSA-N -1 0 322.364 3.300 20 30 DGEDRM N#Cc1cccc(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)n1 ZINC001608215576 1193283988 /nfs/dbraw/zinc/28/39/88/1193283988.db2.gz WDJHDRAEVAZMKB-UHFFFAOYSA-N -1 0 323.333 3.118 20 30 DGEDRM N#Cc1cscc1C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001608223653 1193284359 /nfs/dbraw/zinc/28/43/59/1193284359.db2.gz HJRISLHWKNSJNJ-UHFFFAOYSA-N -1 0 324.720 3.363 20 30 DGEDRM N#Cc1cccc(Cl)c1NC[C@H](C(=O)[O-])c1ccccc1 ZINC001608217251 1193284694 /nfs/dbraw/zinc/28/46/94/1193284694.db2.gz UEYVQFHNCJKGCZ-ZDUSSCGKSA-N -1 0 300.745 3.492 20 30 DGEDRM N#Cc1nc(NC[C@@H](CC2CCCC2)C(=O)[O-])sc1Cl ZINC001608225404 1193284699 /nfs/dbraw/zinc/28/46/99/1193284699.db2.gz NUJAYFLEHBZAFP-SECBINFHSA-N -1 0 313.810 3.361 20 30 DGEDRM N#Cc1csc(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)c1 ZINC001608222509 1193284798 /nfs/dbraw/zinc/28/47/98/1193284798.db2.gz SSUCGKNNODDOKP-UHFFFAOYSA-N -1 0 324.720 3.363 20 30 DGEDRM O=C([O-])c1c(F)cccc1N=NCc1cccc(-n2cccn2)c1 ZINC001608828589 1193305956 /nfs/dbraw/zinc/30/59/56/1193305956.db2.gz NHZINPOTOQDFRB-UHFFFAOYSA-N -1 0 324.315 3.156 20 30 DGEDRM O=C([O-])c1c(F)cccc1N=NC1CCCC12CCOCC2 ZINC001608828773 1193306066 /nfs/dbraw/zinc/30/60/66/1193306066.db2.gz WMKGOLGYNOXDMA-UHFFFAOYSA-N -1 0 306.337 3.273 20 30 DGEDRM O=C([O-])c1cccc(C#CCOC(=O)C2(C(F)F)CCCC2)c1 ZINC001608928004 1193313926 /nfs/dbraw/zinc/31/39/26/1193313926.db2.gz OFLWJFIEKXRWPS-UHFFFAOYSA-N -1 0 322.307 3.105 20 30 DGEDRM O=C([O-])c1coc(/C=C/C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC001608987043 1193318274 /nfs/dbraw/zinc/31/82/74/1193318274.db2.gz AMFQZJPXXJNQGE-DUXPYHPUSA-N -1 0 321.672 3.436 20 30 DGEDRM C#C[C@@H](N[C@@H](C(=O)[O-])c1ccsc1)c1ccc(Cl)cc1 ZINC001609058394 1193322326 /nfs/dbraw/zinc/32/23/26/1193322326.db2.gz YSKDFAMUPAWMER-ZIAGYGMSSA-N -1 0 305.786 3.491 20 30 DGEDRM C#C[C@@H](N[C@H](C(=O)[O-])c1ccsc1)c1ccc(Cl)cc1 ZINC001609058392 1193322796 /nfs/dbraw/zinc/32/27/96/1193322796.db2.gz YSKDFAMUPAWMER-KGLIPLIRSA-N -1 0 305.786 3.491 20 30 DGEDRM CC(CCC1CC1)N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1 ZINC001609109687 1193324526 /nfs/dbraw/zinc/32/45/26/1193324526.db2.gz CXPZHFVXXKEQTO-UHFFFAOYSA-N -1 0 317.397 3.130 20 30 DGEDRM C=C(C)[C@H](CC(=O)Nc1ccc(F)c(C(=O)[O-])c1C)OCC ZINC001609189862 1193329025 /nfs/dbraw/zinc/32/90/25/1193329025.db2.gz HIPRXHGXRKQMRZ-ZDUSSCGKSA-N -1 0 309.337 3.142 20 30 DGEDRM C=C(C)C(C)(C)C(=O)O[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001609189976 1193329070 /nfs/dbraw/zinc/32/90/70/1193329070.db2.gz ORJYHQHUYAIJEW-LLVKDONJSA-N -1 0 321.373 3.046 20 30 DGEDRM C=C(Br)COC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001609189784 1193329101 /nfs/dbraw/zinc/32/91/01/1193329101.db2.gz BNCDPTUYIPEEGG-UHFFFAOYSA-N -1 0 319.538 3.104 20 30 DGEDRM C=C(C)[C@H]1OCC[C@H]1C(=O)OCc1c(Cl)cccc1C(=O)[O-] ZINC001609257395 1193333153 /nfs/dbraw/zinc/33/31/53/1193333153.db2.gz AXWJSSJFZJVASX-BXUZGUMPSA-N -1 0 324.760 3.063 20 30 DGEDRM C=CC[C@H](C(=O)NCCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001609287506 1193333832 /nfs/dbraw/zinc/33/38/32/1193333832.db2.gz SNKSDEROSJVPLF-SFHVURJKSA-N -1 0 323.392 3.403 20 30 DGEDRM C=CCC1(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)CCCC1 ZINC001609320535 1193333916 /nfs/dbraw/zinc/33/39/16/1193333916.db2.gz QCNBSHVYMFPYFV-SFHVURJKSA-N -1 0 315.413 3.282 20 30 DGEDRM C=CC[C@@H](C)NC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001609290482 1193333977 /nfs/dbraw/zinc/33/39/77/1193333977.db2.gz KSYUFGBYZQUJQM-SSDOTTSWSA-N -1 0 300.717 3.263 20 30 DGEDRM C=CCN(CCOC)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001609371747 1193335498 /nfs/dbraw/zinc/33/54/98/1193335498.db2.gz SNCNFHCJRTZHHO-CYBMUJFWSA-N -1 0 318.200 3.254 20 30 DGEDRM C=CCn1c(C)nnc1SCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001609469915 1193340915 /nfs/dbraw/zinc/34/09/15/1193340915.db2.gz BVPNQSFQEROHHG-UHFFFAOYSA-N -1 0 323.805 3.416 20 30 DGEDRM CC(=[NH+][N-]c1cccc(F)c1C(=O)[O-])c1cc(N)ccc1F ZINC001609556773 1193344296 /nfs/dbraw/zinc/34/42/96/1193344296.db2.gz KBJXVFOWHXZWQI-UHFFFAOYSA-N -1 0 305.284 3.081 20 30 DGEDRM CC(=NOCc1ccccc1C)c1ccc(OCC(=O)[O-])cc1 ZINC001609567648 1193344679 /nfs/dbraw/zinc/34/46/79/1193344679.db2.gz CAGPAMMDXHUNDM-UHFFFAOYSA-N -1 0 313.353 3.399 20 30 DGEDRM C[C@@H](Oc1ccc(CNc2ccc(CC#N)cc2)cc1)C(=O)[O-] ZINC001609801427 1193357198 /nfs/dbraw/zinc/35/71/98/1193357198.db2.gz RIASKLGVKHSCQV-CYBMUJFWSA-N -1 0 310.353 3.217 20 30 DGEDRM C[C@H]1[C@H](C(=O)[O-])CCN1c1c(C#N)cnc2c(Cl)cccc21 ZINC001609834086 1193359302 /nfs/dbraw/zinc/35/93/02/1193359302.db2.gz NRHBFGNGDBHAGN-GXSJLCMTSA-N -1 0 315.760 3.059 20 30 DGEDRM CC[C@H](C)C[C@H](N=Cc1cc2ccccc2[nH]c1=O)C(=O)[O-] ZINC001609904276 1193363249 /nfs/dbraw/zinc/36/32/49/1193363249.db2.gz KAJLFLMFUARFDO-JHULLWELSA-N -1 0 300.358 3.249 20 30 DGEDRM CCC(CC)(CC(=O)[O-])C(=O)OCc1ccc(F)cc1C#N ZINC001609910725 1193363469 /nfs/dbraw/zinc/36/34/69/1193363469.db2.gz SAPOCRGXPGDGFA-UHFFFAOYSA-N -1 0 307.321 3.022 20 30 DGEDRM CCC1CC(=O)C(=CNc2sc(C)c(C)c2C(=O)[O-])C(=O)C1 ZINC001609950856 1193367463 /nfs/dbraw/zinc/36/74/63/1193367463.db2.gz RMBUNMVERUHHEE-UHFFFAOYSA-N -1 0 321.398 3.317 20 30 DGEDRM CCCCc1noc([C@@H](C)ON=Cc2ccc(C(=O)[O-])cc2)n1 ZINC001609974017 1193370459 /nfs/dbraw/zinc/37/04/59/1193370459.db2.gz ZEJXOAWUIZCLMY-LLVKDONJSA-N -1 0 317.345 3.222 20 30 DGEDRM CCCn1nc(C)c(C=NNc2ccc(F)c(C(=O)[O-])c2)c1C ZINC001609988877 1193371106 /nfs/dbraw/zinc/37/11/06/1193371106.db2.gz BZQLGYYDBRTBHN-UHFFFAOYSA-N -1 0 318.352 3.193 20 30 DGEDRM CCN(Cc1cccc(C(=O)[O-])c1C#N)c1ccccc1OC ZINC001610002405 1193372032 /nfs/dbraw/zinc/37/20/32/1193372032.db2.gz CTSDHOPQWKPYRQ-UHFFFAOYSA-N -1 0 310.353 3.292 20 30 DGEDRM CCOc1ccccc1CN(C)Cc1cccc(C(=O)[O-])c1C#N ZINC001610047345 1193373631 /nfs/dbraw/zinc/37/36/31/1193373631.db2.gz RZJODGKCIDXZSQ-UHFFFAOYSA-N -1 0 324.380 3.287 20 30 DGEDRM CCc1cccc(C(=O)[O-])c1NC(=O)Cc1ccc(C#N)cc1 ZINC001610067550 1193375021 /nfs/dbraw/zinc/37/50/21/1193375021.db2.gz NLGSXRLGFBSQKL-UHFFFAOYSA-N -1 0 308.337 3.000 20 30 DGEDRM COc1cc(C#N)ccc1CNc1cc(F)cc(C(=O)[O-])c1F ZINC001610280229 1193380631 /nfs/dbraw/zinc/38/06/31/1193380631.db2.gz XGDYBSMHEQWCFY-UHFFFAOYSA-N -1 0 318.279 3.155 20 30 DGEDRM CO[C@H]1C[C@H]2CC(N=Nc3ccc(F)c(C(=O)[O-])c3)C[C@H]2C1 ZINC001610274943 1193380682 /nfs/dbraw/zinc/38/06/82/1193380682.db2.gz FXCWVIODJSWQHD-IWIIMEHWSA-N -1 0 306.337 3.127 20 30 DGEDRM COc1cc(C)c(C(=O)/C=C/c2cc(C(=O)[O-])n(C)c2)cc1C ZINC001610291101 1193381232 /nfs/dbraw/zinc/38/12/32/1193381232.db2.gz MRMCDNDQKIPNAW-AATRIKPKSA-N -1 0 313.353 3.245 20 30 DGEDRM Cc1c(C#N)cccc1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001610407461 1193387052 /nfs/dbraw/zinc/38/70/52/1193387052.db2.gz ZCBJYHMXFIJTOK-UHFFFAOYSA-N -1 0 314.728 3.471 20 30 DGEDRM Cc1c(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cccc1C(=O)[O-] ZINC001610426315 1193387898 /nfs/dbraw/zinc/38/78/98/1193387898.db2.gz QRRAVFGVRMOXLP-LBPRGKRZSA-N -1 0 323.352 3.448 20 30 DGEDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(Sc2cccc(C#N)c2)n1 ZINC001610440504 1193388531 /nfs/dbraw/zinc/38/85/31/1193388531.db2.gz RMXMJKLYZCBNIS-UHFFFAOYSA-N -1 0 315.310 3.019 20 30 DGEDRM Cc1ccc(C)c(NC(=S)NN=CCC(C)(C)C(=O)[O-])c1 ZINC001610495484 1193393051 /nfs/dbraw/zinc/39/30/51/1193393051.db2.gz GMXVRPOHEVWRKQ-UHFFFAOYSA-N -1 0 307.419 3.077 20 30 DGEDRM Cc1cccc(C)c1NC(=S)NN=C1CCC[C@H](C(=O)[O-])C1 ZINC001610519399 1193395253 /nfs/dbraw/zinc/39/52/53/1193395253.db2.gz PEMDTKOQWMWXAI-LBPRGKRZSA-N -1 0 319.430 3.221 20 30 DGEDRM Cc1ccccc1N(CCC(=O)[O-])C(=O)c1cc(C#N)cs1 ZINC001610533036 1193396412 /nfs/dbraw/zinc/39/64/12/1193396412.db2.gz VAPDNMVQXXRSIY-UHFFFAOYSA-N -1 0 314.366 3.050 20 30 DGEDRM Cc1nn(C)c2sc(C(=O)/C=C/c3cc(C(=O)[O-])co3)cc12 ZINC001610568616 1193398969 /nfs/dbraw/zinc/39/89/69/1193398969.db2.gz XUCDSNBIFOPKBC-ONEGZZNKSA-N -1 0 316.338 3.131 20 30 DGEDRM Cn1cc(/C=C/C(=O)c2c[nH]c3cc(F)ccc23)cc1C(=O)[O-] ZINC001610601605 1193401027 /nfs/dbraw/zinc/40/10/27/1193401027.db2.gz QAJHMTFTVIJBNQ-GORDUTHDSA-N -1 0 312.300 3.240 20 30 DGEDRM N#CC1(C(=O)[O-])CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC001610617445 1193401289 /nfs/dbraw/zinc/40/12/89/1193401289.db2.gz DQFOKWZCHNUUQX-UHFFFAOYSA-N -1 0 313.184 3.184 20 30 DGEDRM N#Cc1c(COc2ccc([C@H]3CCOC3)cc2)cccc1C(=O)[O-] ZINC001610624774 1193401548 /nfs/dbraw/zinc/40/15/48/1193401548.db2.gz FMZRJJMKXDVYPW-AWEZNQCLSA-N -1 0 323.348 3.339 20 30 DGEDRM N#Cc1cc(Cl)cc(OCC(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC001610625705 1193401878 /nfs/dbraw/zinc/40/18/78/1193401878.db2.gz AHOQJAAIFAYMRT-UHFFFAOYSA-N -1 0 315.712 3.172 20 30 DGEDRM O=C([O-])[C@@H](OC(=O)C#CC1CC1)c1cc(Cl)cc(Cl)c1 ZINC001610651561 1193402376 /nfs/dbraw/zinc/40/23/76/1193402376.db2.gz CSJPITZNWCJLNB-ZDUSSCGKSA-N -1 0 313.136 3.076 20 30 DGEDRM N#Cc1ccccc1COc1c(C(=O)[O-])cncc1C(F)(F)F ZINC001610633004 1193402388 /nfs/dbraw/zinc/40/23/88/1193402388.db2.gz QQBVZLCPENDVRD-UHFFFAOYSA-N -1 0 322.242 3.249 20 30 DGEDRM O=C([O-])COc1ccc(N=Cc2cc(Cl)ccc2O)cc1 ZINC001610786629 1193408366 /nfs/dbraw/zinc/40/83/66/1193408366.db2.gz PTOSYLIHWUJQDW-UHFFFAOYSA-N -1 0 305.717 3.260 20 30 DGEDRM O=C([O-])c1ccc(N=NC2CCc3cccnc3CC2)cc1F ZINC001610835403 1193412035 /nfs/dbraw/zinc/41/20/35/1193412035.db2.gz FCLCQPKDHKQQQL-UHFFFAOYSA-N -1 0 313.332 3.266 20 30 DGEDRM O=C([O-])c1coc(/C=C\C(=O)c2cnn(C3CCCC3)c2)c1 ZINC001610866789 1193413864 /nfs/dbraw/zinc/41/38/64/1193413864.db2.gz RQWMIVYJAJWLDL-WAYWQWQTSA-N -1 0 300.314 3.186 20 30 DGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(CC)c(CC)c1 ZINC001515113880 1186744272 /nfs/dbraw/zinc/74/42/72/1186744272.db2.gz KMSGHLCFXBGYAC-QGZVFWFLSA-N -1 0 314.429 3.440 20 30 DGEDRM N#CC(=C([O-])c1cccc2c1OCC2)c1nc(C2CC2)cs1 ZINC001515389669 1186757514 /nfs/dbraw/zinc/75/75/14/1186757514.db2.gz BSWPJUOQCBUVEN-CYBMUJFWSA-N -1 0 310.378 3.445 20 30 DGEDRM O=C([O-])c1coc(C=NNCc2ccc(Cl)cc2Cl)c1 ZINC001602553963 1186778521 /nfs/dbraw/zinc/77/85/21/1186778521.db2.gz QZJYWQCSPTZBNW-UHFFFAOYSA-N -1 0 313.140 3.408 20 30 DGEDRM N#CC(=C([O-])c1cc(-c2ccccc2)[nH]n1)c1cccc(F)n1 ZINC001516710180 1186789935 /nfs/dbraw/zinc/78/99/35/1186789935.db2.gz GTDBPEKNQPZZQJ-GFCCVEGCSA-N -1 0 306.300 3.101 20 30 DGEDRM N#CC(=C([O-])c1cc(-c2ccccc2)[nH]n1)c1cccc(F)n1 ZINC001516710181 1186790316 /nfs/dbraw/zinc/79/03/16/1186790316.db2.gz GTDBPEKNQPZZQJ-LBPRGKRZSA-N -1 0 306.300 3.101 20 30 DGEDRM N#CC(=C([O-])c1ccn(-c2ccc(F)cc2)n1)c1cccc(F)n1 ZINC001516711538 1186790422 /nfs/dbraw/zinc/79/04/22/1186790422.db2.gz WOUHADOUMGRFQT-CYBMUJFWSA-N -1 0 324.290 3.036 20 30 DGEDRM CCn1ccnc1C(C#N)=C([O-])c1nc(C(C)(C)C)cs1 ZINC001520037394 1186913114 /nfs/dbraw/zinc/91/31/14/1186913114.db2.gz XHOIYRYTPOMVQR-JTQLQIEISA-N -1 0 302.403 3.147 20 30 DGEDRM Cc1oc(C(C)C)nc1C([O-])=C(C#N)c1ncc(F)cc1F ZINC001520447912 1186944575 /nfs/dbraw/zinc/94/45/75/1186944575.db2.gz DDDGAJDXKHOGNO-SNVBAGLBSA-N -1 0 305.284 3.270 20 30 DGEDRM C=C[C@H](CC(=O)N1CCC[C@@](CC)(C(=O)[O-])C1)c1ccccc1 ZINC001523009117 1187120337 /nfs/dbraw/zinc/12/03/37/1187120337.db2.gz BSNIAOXIJMNPRE-DNVCBOLYSA-N -1 0 315.413 3.450 20 30 DGEDRM C[C@@](C#N)(CCc1ccccc1)NC(=O)c1cccc(F)c1[O-] ZINC001525494963 1187318210 /nfs/dbraw/zinc/31/82/10/1187318210.db2.gz GVIFSLNSSGZTOB-SFHVURJKSA-N -1 0 312.344 3.176 20 30 DGEDRM CCCCC1CCC(NC(=O)c2[n-]c(=O)c(C#N)cc2C)CC1 ZINC001543628410 1188353196 /nfs/dbraw/zinc/35/31/96/1188353196.db2.gz NYAAKFJIZZCRIH-UHFFFAOYSA-N -1 0 315.417 3.446 20 30 DGEDRM C=C[C@@H](C)O[N-]C(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC001557343620 1189058705 /nfs/dbraw/zinc/05/87/05/1189058705.db2.gz VMLBOJQQCPWVDY-SNVBAGLBSA-N -1 0 306.362 3.114 20 30 DGEDRM CC#CCCCC(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC001573385186 1191430546 /nfs/dbraw/zinc/43/05/46/1191430546.db2.gz WQEGFNBDAQQMRX-GOSISDBHSA-N -1 0 309.365 3.275 20 30 DGEDRM O=C(NCC#Cc1ccccc1)c1cc(Cl)cc(Cl)c1[O-] ZINC001623750912 1193957958 /nfs/dbraw/zinc/95/79/58/1193957958.db2.gz RVGGTNYONFJBSC-UHFFFAOYSA-N -1 0 320.175 3.481 20 30 DGEDRM C=CCC1(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCCC1 ZINC001623973987 1193974229 /nfs/dbraw/zinc/97/42/29/1193974229.db2.gz PTMDXBKDUWLDPF-UHFFFAOYSA-N -1 0 304.346 3.167 20 30 DGEDRM COc1cc(C#N)ccc1C(=O)Nc1cccc(Cl)c1[O-] ZINC001624288117 1193990546 /nfs/dbraw/zinc/99/05/46/1193990546.db2.gz VCBUFOXWEGGXHF-UHFFFAOYSA-N -1 0 302.717 3.178 20 30 DGEDRM N#Cc1cccc(O[N-]C(=O)CSc2ccc(Cl)cc2)c1 ZINC001631977274 1194364873 /nfs/dbraw/zinc/36/48/73/1194364873.db2.gz MRLHYTVUFLUDMB-UHFFFAOYSA-N -1 0 318.785 3.414 20 30 DGEDRM C=CCCSCCNC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001632307095 1194381340 /nfs/dbraw/zinc/38/13/40/1194381340.db2.gz AMDHPXWQGQZFIX-UHFFFAOYSA-N -1 0 319.348 3.450 20 30 DGEDRM N#Cc1ccc([O-])c(NC(=O)c2cc(C=O)sc2Cl)c1 ZINC001633077398 1194420378 /nfs/dbraw/zinc/42/03/78/1194420378.db2.gz SDNXTWITJMIXSU-UHFFFAOYSA-N -1 0 306.730 3.044 20 30 DGEDRM C=CC[C@H](NC(=O)c1ccc(Cl)c([O-])c1)c1ccncc1 ZINC001633820772 1194458206 /nfs/dbraw/zinc/45/82/06/1194458206.db2.gz XDRHBXMPAPLDJD-AWEZNQCLSA-N -1 0 302.761 3.488 20 30 DGEDRM N#Cc1cccc(C2(NC(=O)c3ccc(Cl)c([O-])c3)CC2)c1 ZINC001636323401 1194606718 /nfs/dbraw/zinc/60/67/18/1194606718.db2.gz DEVYHYORBZVNMT-UHFFFAOYSA-N -1 0 312.756 3.336 20 30 DGEDRM CC(=O)c1ccc([O-])c(NC(=O)C(C)(C)c2ccc(C#N)cc2)c1 ZINC001637579008 1194677202 /nfs/dbraw/zinc/67/72/02/1194677202.db2.gz UWLQUPXJOBMLTJ-UHFFFAOYSA-N -1 0 322.364 3.383 20 30 DGEDRM C#C[C@H](NC(=O)c1cc(F)cc(F)c1[O-])c1ccc(Cl)cc1 ZINC001638463754 1194720507 /nfs/dbraw/zinc/72/05/07/1194720507.db2.gz TUORGBJTSCOMMC-AWEZNQCLSA-N -1 0 321.710 3.428 20 30 DGEDRM C=CC(C)(C)CNC(=O)c1cc(Br)cc(F)c1[O-] ZINC001640617225 1194821854 /nfs/dbraw/zinc/82/18/54/1194821854.db2.gz ZRONPVOVNRAJDK-UHFFFAOYSA-N -1 0 316.170 3.236 20 30 DGEDRM CCCCCCCNC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC001641083165 1194838947 /nfs/dbraw/zinc/83/89/47/1194838947.db2.gz MXINNGRSFFRENM-UHFFFAOYSA-N -1 0 319.380 3.417 20 30 DGEDRM C#CC1(NC(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])CCCC1 ZINC001643519743 1195031848 /nfs/dbraw/zinc/03/18/48/1195031848.db2.gz GUWPMYXFICCTEC-UHFFFAOYSA-N -1 0 323.348 3.141 20 30 DGEDRM C=C[C@H](C)O[N-]C(=O)c1ccc(-c2cccc(Cl)c2)[nH]c1=O ZINC001644300924 1195097345 /nfs/dbraw/zinc/09/73/45/1195097345.db2.gz WJCPFHLZZZYFEM-JTQLQIEISA-N -1 0 318.760 3.344 20 30 DGEDRM Cc1cccc2[nH]cc(CC(=O)[N-]Oc3cccc(C#N)c3)c21 ZINC001648729583 1195326161 /nfs/dbraw/zinc/32/61/61/1195326161.db2.gz SSBNEIZEZCONQT-UHFFFAOYSA-N -1 0 305.337 3.001 20 30 DGEDRM C[C@H](C(=O)[N-]Oc1cccc(C#N)c1)c1ccc(Cl)s1 ZINC001648729478 1195326469 /nfs/dbraw/zinc/32/64/69/1195326469.db2.gz PEBCHTFZUATVOO-VIFPVBQESA-N -1 0 306.774 3.487 20 30 DGEDRM Cc1ncoc1-c1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC001652246801 1195568689 /nfs/dbraw/zinc/56/86/89/1195568689.db2.gz FEWFHBFRAHBSON-UHFFFAOYSA-N -1 0 319.320 3.480 20 30 DGEDRM N#CCc1cccc([N-]S(=O)(=O)c2cccc3ccccc32)n1 ZINC001664476972 1197004149 /nfs/dbraw/zinc/00/41/49/1197004149.db2.gz CUUUWPQBABZPBI-UHFFFAOYSA-N -1 0 323.377 3.102 20 30 DGEDRM C=CCC[C@@H](NS(=O)(=O)c1ccccc1[O-])c1ccccc1 ZINC001668152201 1197401696 /nfs/dbraw/zinc/40/16/96/1197401696.db2.gz QWSHUUDIYRTOCX-OAHLLOKOSA-N -1 0 317.410 3.378 20 30 DGEDRM N#CCc1cccc([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000313464539 1199766196 /nfs/dbraw/zinc/76/61/96/1199766196.db2.gz MRIAYBXJUACMGA-UHFFFAOYSA-N -1 0 306.774 3.207 20 30 DGEDRM C=CC[C@@H](NC(=O)Nc1ccc(C)c(C(F)(F)F)c1)C(=O)[O-] ZINC000316918973 1199818526 /nfs/dbraw/zinc/81/85/26/1199818526.db2.gz VCEORXXSCSRFEU-LLVKDONJSA-N -1 0 316.279 3.165 20 30 DGEDRM N#Cc1cc2ccccc2cc1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001601091330 970930926 /nfs/dbraw/zinc/93/09/26/970930926.db2.gz DSMWUEZOKRORDO-UONOGXRCSA-N -1 0 308.337 3.151 20 30 DGEDRM C=CCC1(NC(=O)NCc2ccccc2C(=O)[O-])CCCCC1 ZINC001602718092 971372243 /nfs/dbraw/zinc/37/22/43/971372243.db2.gz DELJRBKQDGSAKQ-UHFFFAOYSA-N -1 0 316.401 3.463 20 30 DGEDRM C=CCC1(NC(=O)c2coc(/C=C/C(=O)[O-])c2)CCCCC1 ZINC001602718448 971374512 /nfs/dbraw/zinc/37/45/12/971374512.db2.gz MUFCXIHKXAAQCR-VOTSOKGWSA-N -1 0 303.358 3.386 20 30 DGEDRM C=CCN(Cc1cccs1)C(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001602722620 971387413 /nfs/dbraw/zinc/38/74/13/971387413.db2.gz CEDURUXEABJQSS-INIZCTEOSA-N -1 0 305.399 3.074 20 30 DGEDRM C=CCN(CC=C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001602722892 971390954 /nfs/dbraw/zinc/39/09/54/971390954.db2.gz XXOYXSKFMROMMP-UHFFFAOYSA-N -1 0 312.728 3.383 20 30 DGEDRM CC(C)(C(=O)Nc1ccccc1CC(=O)[O-])c1ccc(C#N)cc1 ZINC001602831214 971657361 /nfs/dbraw/zinc/65/73/61/971657361.db2.gz SRBOUBZIJUKRBR-UHFFFAOYSA-N -1 0 322.364 3.102 20 30 DGEDRM C[C@](CNc1ccc(Cl)c(C#N)n1)(C(=O)[O-])c1ccccc1 ZINC001589072085 955781266 /nfs/dbraw/zinc/78/12/66/955781266.db2.gz HWGSXZPSGPKBMI-MRXNPFEDSA-N -1 0 315.760 3.061 20 30 DGEDRM C[C@](CNc1snc(Cl)c1C#N)(C(=O)[O-])c1ccccc1 ZINC001589072812 955789101 /nfs/dbraw/zinc/78/91/01/955789101.db2.gz DEHUQPJBMIFSMA-CQSZACIVSA-N -1 0 321.789 3.123 20 30 DGEDRM N#C[C@H](C(=O)C1(CC(=O)[O-])CCC1)c1nccc2ccccc21 ZINC001594600864 956125573 /nfs/dbraw/zinc/12/55/73/956125573.db2.gz GKJXZPVGUVHDIC-AWEZNQCLSA-N -1 0 308.337 3.056 20 30 DGEDRM N#C[C@H](C(=O)[C@@H](C(=O)[O-])C1CCCC1)c1nccc2ccccc21 ZINC001594601210 956132553 /nfs/dbraw/zinc/13/25/53/956132553.db2.gz LPARJLPEXKKXBO-HOTGVXAUSA-N -1 0 322.364 3.302 20 30 DGEDRM N#C[C@@H](C(=O)[C@]1(C(=O)[O-])CC=CCC1)c1ccc2ccccc2n1 ZINC001594601707 956139055 /nfs/dbraw/zinc/13/90/55/956139055.db2.gz PTJPOVHDYOVOGE-KUHUBIRLSA-N -1 0 320.348 3.222 20 30 DGEDRM N#CCN(C(=O)c1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001594609703 956194051 /nfs/dbraw/zinc/19/40/51/956194051.db2.gz IFZHOMWHLLPLJU-UHFFFAOYSA-N -1 0 314.728 3.209 20 30 DGEDRM N#Cc1ccc(C2(C(=O)OCc3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC001594618074 956258702 /nfs/dbraw/zinc/25/87/02/956258702.db2.gz BOUCQPXXGGLFFU-UHFFFAOYSA-N -1 0 321.332 3.031 20 30 DGEDRM N#Cc1ccsc1NC(=O)CSc1ccc(C(=O)[O-])cc1 ZINC000037417131 957282564 /nfs/dbraw/zinc/28/25/64/957282564.db2.gz XEYMTWHPSCVOKX-UHFFFAOYSA-N -1 0 318.379 3.049 20 30 DGEDRM C#CCCCC(=O)Nc1sc2c(c1C(=O)[O-])C[C@H](C)O[C@@H]2C ZINC001588391758 958027477 /nfs/dbraw/zinc/02/74/77/958027477.db2.gz NRXANFACUDSZBY-VHSXEESVSA-N -1 0 321.398 3.211 20 30 DGEDRM C=CC[C@@H](C(=O)N1CCC[C@](CC)(C(=O)[O-])C1)c1ccccc1 ZINC001588452623 958425183 /nfs/dbraw/zinc/42/51/83/958425183.db2.gz PWNRDHWPIULLIN-APWZRJJASA-N -1 0 315.413 3.450 20 30 DGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)C1(C(=O)[O-])CCCCC1 ZINC001588453433 958438378 /nfs/dbraw/zinc/43/83/78/958438378.db2.gz XKCYMVAZNJNFSB-MRXNPFEDSA-N -1 0 315.413 3.325 20 30 DGEDRM C=CC[C@H]1N(C(=O)Nc2cc(C(=O)[O-])ccn2)CCCC1(C)C ZINC001588457223 958446736 /nfs/dbraw/zinc/44/67/36/958446736.db2.gz QJUNDAGAZWUBRZ-CYBMUJFWSA-N -1 0 317.389 3.378 20 30 DGEDRM C=CCC1(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])CCCCC1 ZINC001588458158 958458673 /nfs/dbraw/zinc/45/86/73/958458673.db2.gz RHBKEWYRLIBYRO-CQSZACIVSA-N -1 0 310.438 3.312 20 30 DGEDRM C=CCC1(C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CCCCC1 ZINC001588458366 958461042 /nfs/dbraw/zinc/46/10/42/958461042.db2.gz SUQAIPMAJOWXMQ-UHFFFAOYSA-N -1 0 319.405 3.168 20 30 DGEDRM C=CCC1(CNC(=O)N2CCC[C@@](CC)(C(=O)[O-])C2)CCCC1 ZINC001588458692 958465005 /nfs/dbraw/zinc/46/50/05/958465005.db2.gz XYJJVQRORRRLMQ-GOSISDBHSA-N -1 0 322.449 3.409 20 30 DGEDRM C=CCCCC(=O)Nc1scc(-c2cnn(C)c2)c1C(=O)[O-] ZINC001588458865 958467735 /nfs/dbraw/zinc/46/77/35/958467735.db2.gz VYELFUNNKOGDCW-UHFFFAOYSA-N -1 0 319.386 3.142 20 30 DGEDRM C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC001573327094 958485154 /nfs/dbraw/zinc/48/51/54/958485154.db2.gz CUYIFWLPJNXMTR-ZDUSSCGKSA-N -1 0 321.804 3.039 20 30 DGEDRM C=C(C)[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(F)c(F)c1 ZINC001573327921 958492639 /nfs/dbraw/zinc/49/26/39/958492639.db2.gz YCNGETGSZQWJPX-YWPYICTPSA-N -1 0 323.339 3.199 20 30 DGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001573329284 958508193 /nfs/dbraw/zinc/50/81/93/958508193.db2.gz CAYXKHCVNQCCDD-IAGOWNOFSA-N -1 0 315.413 3.181 20 30 DGEDRM C=C(C)COc1cccc(NC(=O)C2(CC(=O)[O-])CCC2)c1 ZINC001573329771 958512207 /nfs/dbraw/zinc/51/22/07/958512207.db2.gz MNFWHXYJDFCPSU-UHFFFAOYSA-N -1 0 303.358 3.225 20 30 DGEDRM C=CCSc1ccccc1C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC001588469850 958519907 /nfs/dbraw/zinc/51/99/07/958519907.db2.gz YSVCJSBJYHFSSF-ZDUSSCGKSA-N -1 0 307.415 3.051 20 30 DGEDRM C=CCSc1ccccc1C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC001588469849 958520169 /nfs/dbraw/zinc/52/01/69/958520169.db2.gz YSVCJSBJYHFSSF-CYBMUJFWSA-N -1 0 307.415 3.051 20 30 DGEDRM Cc1cccc(C(=O)[O-])c1NC(=O)c1ccc(C#N)c(Cl)c1 ZINC001594390989 958719090 /nfs/dbraw/zinc/71/90/90/958719090.db2.gz MPWAEMPFHSSFBG-UHFFFAOYSA-N -1 0 314.728 3.471 20 30 DGEDRM Cc1cccc([C@@H](NC(=O)Nc2cccc(C#N)c2C)C(=O)[O-])c1 ZINC001594396923 958774020 /nfs/dbraw/zinc/77/40/20/958774020.db2.gz IVGGHNIRRIKVKX-MRXNPFEDSA-N -1 0 323.352 3.123 20 30 DGEDRM Cc1csc(NC(=O)N2CCC(CCC(=O)[O-])CC2)c1C#N ZINC001594440532 959259047 /nfs/dbraw/zinc/25/90/47/959259047.db2.gz HIYDMLCAWSPOJP-UHFFFAOYSA-N -1 0 321.402 3.037 20 30 DGEDRM C[C@@H](CSc1ccc(C#N)c(Br)c1)C(=O)[O-] ZINC000228229875 960004745 /nfs/dbraw/zinc/00/47/45/960004745.db2.gz HVSTWVXNSQXCHZ-ZETCQYMHSA-N -1 0 300.177 3.134 20 30 DGEDRM C[C@H](CSc1ccc(C#N)c(Br)c1F)C(=O)[O-] ZINC000231856710 960210639 /nfs/dbraw/zinc/21/06/39/960210639.db2.gz IUWBTMHQFVSTQG-ZCFIWIBFSA-N -1 0 318.167 3.273 20 30 DGEDRM CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001588784983 961339758 /nfs/dbraw/zinc/33/97/58/961339758.db2.gz BATIKSXDKKSFHW-UHFFFAOYSA-N -1 0 322.364 3.008 20 30 DGEDRM CC(C)[C@H](C(=O)[O-])C(=O)N(O)Cc1cc(Cl)cc(Cl)c1 ZINC001588815021 961559884 /nfs/dbraw/zinc/55/98/84/961559884.db2.gz BJSRLACPODEZRL-NSHDSACASA-N -1 0 320.172 3.068 20 30 DGEDRM N#Cc1ccc(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)c(Cl)c1 ZINC001574487956 961692444 /nfs/dbraw/zinc/69/24/44/961692444.db2.gz KRSDSXDSABQJTR-ZDUSSCGKSA-N -1 0 306.749 3.041 20 30 DGEDRM C#CCCCCCC(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC001573301655 962632350 /nfs/dbraw/zinc/63/23/50/962632350.db2.gz HSFWOVVDTCGJGQ-UHFFFAOYSA-N -1 0 306.383 3.352 20 30 DGEDRM C#C[C@@H](NC(=O)Nc1ccc(SC)c(C(=O)[O-])c1)C(C)(C)C ZINC001573301968 962642168 /nfs/dbraw/zinc/64/21/68/962642168.db2.gz HNIXKOZIJKLUDP-CYBMUJFWSA-N -1 0 320.414 3.276 20 30 DGEDRM C#Cc1ccc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])cc1 ZINC001573311603 962707728 /nfs/dbraw/zinc/70/77/28/962707728.db2.gz CPNIIWGEVRCOLD-HNNXBMFYSA-N -1 0 321.376 3.031 20 30 DGEDRM C#CCN(CC1CC1)[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001573311703 962709975 /nfs/dbraw/zinc/70/99/75/962709975.db2.gz WWFHCILFZGPPSV-AWEZNQCLSA-N -1 0 312.196 3.464 20 30 DGEDRM C#Cc1cccc(N(CC)C(=O)/C=C/c2cc(C(=O)[O-])co2)c1 ZINC001573313425 962730100 /nfs/dbraw/zinc/73/01/00/962730100.db2.gz HYAPDERACHPADL-CMDGGOBGSA-N -1 0 309.321 3.025 20 30 DGEDRM C#Cc1ccc(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001573313644 962734848 /nfs/dbraw/zinc/73/48/48/962734848.db2.gz NRUNXRTZCQDMLU-NTMALXAHSA-N -1 0 322.320 3.286 20 30 DGEDRM C=C(C)C[C@@H](NC(=O)[C@@H](C)c1cc2ccccc2o1)C(=O)[O-] ZINC001573320902 962753381 /nfs/dbraw/zinc/75/33/81/962753381.db2.gz GHBOTVRWZQWGJR-WCQYABFASA-N -1 0 301.342 3.072 20 30 DGEDRM C=C(C)C[C@@H](NC(=O)CCCc1ccccc1Cl)C(=O)[O-] ZINC001573321137 962754359 /nfs/dbraw/zinc/75/43/59/962754359.db2.gz IZRKKIDVNYHFMD-CQSZACIVSA-N -1 0 309.793 3.198 20 30 DGEDRM C=C(C)C[C@H](NC(=O)C[C@@H]1CCC[C@H](C(F)(F)F)C1)C(=O)[O-] ZINC001573321455 962758623 /nfs/dbraw/zinc/75/86/23/962758623.db2.gz NJUKVOZPXSLPLK-WOPDTQHZSA-N -1 0 321.339 3.281 20 30 DGEDRM C=C(C)CCC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001573323755 962775979 /nfs/dbraw/zinc/77/59/79/962775979.db2.gz HCFWTDCFDPVTAS-FZKQIMNGSA-N -1 0 301.386 3.336 20 30 DGEDRM C=C(C)CCC(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C ZINC001573324258 962783608 /nfs/dbraw/zinc/78/36/08/962783608.db2.gz PMFXOGKPOYMFLP-UHFFFAOYSA-N -1 0 301.342 3.447 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)N(CC)Cc1ccc(Cl)s1 ZINC001573325669 962797230 /nfs/dbraw/zinc/79/72/30/962797230.db2.gz MMUTXXHFPLNFDV-UHFFFAOYSA-N -1 0 301.795 3.171 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccccc1OCCC(C)C ZINC001573336965 962861726 /nfs/dbraw/zinc/86/17/26/962861726.db2.gz JNLHZFBKWNFMSP-UHFFFAOYSA-N -1 0 319.401 3.149 20 30 DGEDRM C=CCCC[C@H](NC(=O)C1(c2cc(C)cc(C)c2)CC1)C(=O)[O-] ZINC001573357669 963018972 /nfs/dbraw/zinc/01/89/72/963018972.db2.gz QMIYJXKNKOZNDF-INIZCTEOSA-N -1 0 315.413 3.261 20 30 DGEDRM C=CCCC[C@H](C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001573357666 963019040 /nfs/dbraw/zinc/01/90/40/963019040.db2.gz QLGWIXYANREBEE-HYVNUMGLSA-N -1 0 315.413 3.306 20 30 DGEDRM C=CCCC[C@H](C(=O)N[C@@H](C)/C=C\C(=O)[O-])c1ccccc1 ZINC001573357858 963022892 /nfs/dbraw/zinc/02/28/92/963022892.db2.gz UUKCEKTZDAESGY-YZLNPXJKSA-N -1 0 301.386 3.272 20 30 DGEDRM C#CCCCCC(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)F ZINC001588440669 964041652 /nfs/dbraw/zinc/04/16/52/964041652.db2.gz HWBAKOVWSWZUIB-AWEZNQCLSA-N -1 0 310.296 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ZINC001588745050 984047837 /nfs/dbraw/zinc/04/78/37/984047837.db2.gz UHOMSBJTKWLZMI-HNNXBMFYSA-N -1 0 303.402 3.181 20 30 DGEDRM C=CC[C@@H](Sc1nnc(-c2cccs2)n1CC=C)C(=O)[O-] ZINC001588763241 984118677 /nfs/dbraw/zinc/11/86/77/984118677.db2.gz QTFCDTQMANDENL-LLVKDONJSA-N -1 0 321.427 3.314 20 30 DGEDRM C=CCC1(NC(=O)Nc2cc(C(=O)[O-])n(C)c2)CCCCC1 ZINC001588766962 984127082 /nfs/dbraw/zinc/12/70/82/984127082.db2.gz AOPSQTBJOQCQII-UHFFFAOYSA-N -1 0 305.378 3.124 20 30 DGEDRM C=CC[C@H]1CCCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC001588770849 984136238 /nfs/dbraw/zinc/13/62/38/984136238.db2.gz JJCFTEQVSRYPIC-NSHDSACASA-N -1 0 306.337 3.344 20 30 DGEDRM C=CC[C@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2CC)C1 ZINC001588772238 984141927 /nfs/dbraw/zinc/14/19/27/984141927.db2.gz AZOSVIROWMRRBC-LBPRGKRZSA-N -1 0 302.374 3.377 20 30 DGEDRM C=CC[C@@H]1CCN1[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001588772455 984143075 /nfs/dbraw/zinc/14/30/75/984143075.db2.gz FZWCYSRXSGBYSM-OLZOCXBDSA-N -1 0 310.191 3.225 20 30 DGEDRM C=CCCC(C)(C)CNC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001588776703 984152461 /nfs/dbraw/zinc/15/24/61/984152461.db2.gz BUAXFHNVRWFEIP-KXBFYZLASA-N -1 0 315.413 3.354 20 30 DGEDRM C=CCC[C@H](C(=O)Nc1cccc(CC(=O)[O-])n1)c1ccccc1 ZINC001588776782 984153612 /nfs/dbraw/zinc/15/36/12/984153612.db2.gz GSWZKGPRMWNTNQ-INIZCTEOSA-N -1 0 324.380 3.397 20 30 DGEDRM C=CCC[C@H](NC(=O)N[C@H]1CC=C(C(=O)[O-])C1)c1ccccc1 ZINC001588778467 984160883 /nfs/dbraw/zinc/16/08/83/984160883.db2.gz BGLSAYJBRAHKCJ-HOTGVXAUSA-N -1 0 314.385 3.167 20 30 DGEDRM C=CCCC[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001588783135 984177489 /nfs/dbraw/zinc/17/74/89/984177489.db2.gz YXCJSFLOXPLXAD-GFCCVEGCSA-N -1 0 319.405 3.317 20 30 DGEDRM C=CCCC[C@@H](C)NC(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001588785544 984180736 /nfs/dbraw/zinc/18/07/36/984180736.db2.gz IJXHCNUEJBBSKV-CYBMUJFWSA-N -1 0 320.389 3.406 20 30 DGEDRM C=CCCC[C@H](NC(=O)/C(C)=C/c1ccc(F)cc1)C(=O)[O-] ZINC001588787696 984187914 /nfs/dbraw/zinc/18/79/14/984187914.db2.gz XSTBIPKQTPCHCG-RUMSDORHSA-N -1 0 305.349 3.155 20 30 DGEDRM C=CCCC[C@H](NC(=O)Cc1ccc(C)cc1Cl)C(=O)[O-] ZINC001588788443 984189440 /nfs/dbraw/zinc/18/94/40/984189440.db2.gz CHBUWPQESPQIFZ-AWEZNQCLSA-N -1 0 309.793 3.117 20 30 DGEDRM C=CCCC[C@H](NC(=O)C/C=C\c1ccc(F)cc1)C(=O)[O-] ZINC001588788456 984190356 /nfs/dbraw/zinc/19/03/56/984190356.db2.gz CRGNMUBKDGTJJS-YVACAVLKSA-N -1 0 305.349 3.155 20 30 DGEDRM C=CCCC[C@H](NC(=O)Cc1ccccc1SCC)C(=O)[O-] ZINC001588789011 984195498 /nfs/dbraw/zinc/19/54/98/984195498.db2.gz UXQAFAGAUFRWBP-AWEZNQCLSA-N -1 0 321.442 3.267 20 30 DGEDRM C=CCCC[C@H](NC(=O)/C=C\c1ccc(Cl)cc1)C(=O)[O-] ZINC001588789523 984199156 /nfs/dbraw/zinc/19/91/56/984199156.db2.gz DJCOLBCPBSNYHH-MSKHEQNASA-N -1 0 307.777 3.279 20 30 DGEDRM C=CCCC[C@H](NC(=O)c1cccc(C(F)F)c1F)C(=O)[O-] ZINC001588793012 984214819 /nfs/dbraw/zinc/21/48/19/984214819.db2.gz JWXRXPRLVTUDIU-NSHDSACASA-N -1 0 315.291 3.303 20 30 DGEDRM C=CCCC[C@@H](NC(=O)c1cc(C)n(CC2CC2)c1C)C(=O)[O-] ZINC001588793071 984215579 /nfs/dbraw/zinc/21/55/79/984215579.db2.gz RRQDPYNOBIYJCV-MRXNPFEDSA-N -1 0 318.417 3.054 20 30 DGEDRM C=CCCC[C@H](NC(=O)c1ccc(CC(C)C)s1)C(=O)[O-] ZINC001588793272 984217822 /nfs/dbraw/zinc/21/78/22/984217822.db2.gz VHHUHVHYDZXWPI-ZDUSSCGKSA-N -1 0 309.431 3.486 20 30 DGEDRM C=CCCC[C@@H](NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001588794198 984225378 /nfs/dbraw/zinc/22/53/78/984225378.db2.gz OBCWBENFXRLYNM-BZUAXINKSA-N -1 0 316.401 3.246 20 30 DGEDRM C=CCCC[C@@H](NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001588794516 984227514 /nfs/dbraw/zinc/22/75/14/984227514.db2.gz WZAZPGHYWBVJJR-OWCLPIDISA-N -1 0 301.386 3.311 20 30 DGEDRM C=CCCC[C@H](NC(=O)Cc1coc2cc(C)ccc12)C(=O)[O-] ZINC001588794559 984228120 /nfs/dbraw/zinc/22/81/20/984228120.db2.gz YQYHSTQWCMAHID-HNNXBMFYSA-N -1 0 315.369 3.209 20 30 DGEDRM C=CCCCCCNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001588799968 984243482 /nfs/dbraw/zinc/24/34/82/984243482.db2.gz SOQGFZHGYACPQQ-UHFFFAOYSA-N -1 0 302.374 3.156 20 30 DGEDRM C=CCCCCn1c([C@H](C)CC)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588802378 984248753 /nfs/dbraw/zinc/24/87/53/984248753.db2.gz IVVISNLBTKBYFC-KGLIPLIRSA-N -1 0 320.437 3.059 20 30 DGEDRM CCNc1ccc(C#N)cc1NC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001596501469 984255543 /nfs/dbraw/zinc/25/55/43/984255543.db2.gz VYNWSDKDAAHFEH-UHFFFAOYSA-N -1 0 323.352 3.249 20 30 DGEDRM C=CCCOCC(=O)Oc1cc2ccccc2cc1C(=O)[O-] ZINC001588810375 984266998 /nfs/dbraw/zinc/26/69/98/984266998.db2.gz LKLIVLKYAFVYMM-UHFFFAOYSA-N -1 0 300.310 3.036 20 30 DGEDRM C=CCCc1ccccc1NC(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001588814675 984271929 /nfs/dbraw/zinc/27/19/29/984271929.db2.gz KTWFABSMIIWSOP-CQSZACIVSA-N -1 0 300.358 3.100 20 30 DGEDRM C=CCN(C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1)C(C)C ZINC001588820750 984286125 /nfs/dbraw/zinc/28/61/25/984286125.db2.gz QGMHRDWURDXPCK-LLVKDONJSA-N -1 0 324.352 3.106 20 30 DGEDRM C=CCN(Cc1ccccc1F)[C@H](C)c1nc(C(=O)[O-])co1 ZINC001588831939 984318562 /nfs/dbraw/zinc/31/85/62/984318562.db2.gz ZGNVPAZGWYHDIP-LLVKDONJSA-N -1 0 304.321 3.261 20 30 DGEDRM C=CCN1C(=O)N[C@@H](c2cccc(Cl)c2F)C(C(=O)[O-])=C1C ZINC001588836850 984330501 /nfs/dbraw/zinc/33/05/01/984330501.db2.gz KGSGYBUVNMSDAB-ZDUSSCGKSA-N -1 0 324.739 3.090 20 30 DGEDRM C=CCOc1cccc(NC(=O)N[C@@](C)(CC(=O)[O-])C2CC2)c1 ZINC001588872740 984442000 /nfs/dbraw/zinc/44/20/00/984442000.db2.gz GJAZYPXVIIXKLC-KRWDZBQOSA-N -1 0 318.373 3.016 20 30 DGEDRM C=CCn1c([C@H](C)CC)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588896561 984502566 /nfs/dbraw/zinc/50/25/66/984502566.db2.gz SFBJPOIPCRFDTA-KGLIPLIRSA-N -1 0 320.437 3.059 20 30 DGEDRM C=C[C@@H]1OCC[C@H]1C(=O)Nc1c(C(=O)[O-])ccc2ccccc21 ZINC001588916478 984561149 /nfs/dbraw/zinc/56/11/49/984561149.db2.gz OLLJGLLKCYOQSF-HIFRSBDPSA-N -1 0 311.337 3.068 20 30 DGEDRM CC#CCCCC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001588927126 984597314 /nfs/dbraw/zinc/59/73/14/984597314.db2.gz OCUJOHAMOHJGRM-UHFFFAOYSA-N -1 0 305.399 3.386 20 30 DGEDRM CC(N=Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc(C(=O)[O-])co1 ZINC001589016355 984994433 /nfs/dbraw/zinc/99/44/33/984994433.db2.gz JBVDTQUEBYSJDM-UHFFFAOYSA-N -1 0 323.692 3.376 20 30 DGEDRM CC(=NNC[C@@H]1CCCC1(F)F)c1cc(C(=O)[O-])cs1 ZINC001589016960 984999527 /nfs/dbraw/zinc/99/95/27/984999527.db2.gz QTOKUMOIPPARBC-JTQLQIEISA-N -1 0 302.346 3.195 20 30 DGEDRM CC(=NNC[C@H]1CCCC1(F)F)c1cc(C(=O)[O-])cs1 ZINC001589016962 984999729 /nfs/dbraw/zinc/99/97/29/984999729.db2.gz QTOKUMOIPPARBC-SNVBAGLBSA-N -1 0 302.346 3.195 20 30 DGEDRM CC(=NNc1cccc(F)c1C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001589017416 985004346 /nfs/dbraw/zinc/00/43/46/985004346.db2.gz MJHVNWOPNVWPBE-UHFFFAOYSA-N -1 0 317.276 3.268 20 30 DGEDRM Cc1c(C#N)cccc1C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC001599973081 986041235 /nfs/dbraw/zinc/04/12/35/986041235.db2.gz GUPBTCJMWUKZPX-MRXNPFEDSA-N -1 0 314.385 3.020 20 30 DGEDRM Cc1c(C#N)cccc1NC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001599974395 986065551 /nfs/dbraw/zinc/06/55/51/986065551.db2.gz AUBLICMKTOPTNS-DNVCBOLYSA-N -1 0 320.348 3.064 20 30 DGEDRM C[C@H](C#N)CN(C)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001589329168 986162422 /nfs/dbraw/zinc/16/24/22/986162422.db2.gz KPNUXPBWCGDVAG-LLVKDONJSA-N -1 0 311.341 3.161 20 30 DGEDRM C[C@@H](C#N)Oc1ccc(/C=C/C(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001589331455 986186536 /nfs/dbraw/zinc/18/65/36/986186536.db2.gz FDCXRQVDXWIXHC-ZPMKCOPCSA-N -1 0 311.293 3.165 20 30 DGEDRM CCON(Cc1ccccc1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001596969198 986189559 /nfs/dbraw/zinc/18/95/59/986189559.db2.gz WLCQUMYQDIKRFM-QGZVFWFLSA-N -1 0 310.353 3.138 20 30 DGEDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)C(C#N)(CC)CC ZINC001597009333 986343453 /nfs/dbraw/zinc/34/34/53/986343453.db2.gz MUSDIAGKBPAROE-UHFFFAOYSA-N -1 0 304.346 3.052 20 30 DGEDRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cc(C#N)ccc2F)c1 ZINC001589533103 987222626 /nfs/dbraw/zinc/22/26/26/987222626.db2.gz WSOOJUQRGSFDMH-SNVBAGLBSA-N -1 0 312.300 3.138 20 30 DGEDRM C[C@@H](C(=O)[O-])n1cccc1C=NN1CCC(C(C)(C)C)CC1 ZINC001589539048 987233256 /nfs/dbraw/zinc/23/32/56/987233256.db2.gz AHDIXKZUANGSED-ZDUSSCGKSA-N -1 0 305.422 3.226 20 30 DGEDRM C[C@H](C(=O)[O-])c1cccc(Nc2c(C#N)cccc2[N+](=O)[O-])c1 ZINC001589540294 987242380 /nfs/dbraw/zinc/24/23/80/987242380.db2.gz UEKLTXWAJNDVPG-JTQLQIEISA-N -1 0 311.297 3.398 20 30 DGEDRM CC(C)(C(=O)O[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(C#N)cc1 ZINC001589681103 987709066 /nfs/dbraw/zinc/70/90/66/987709066.db2.gz RLSVKZWTWWVUPI-UKRRQHHQSA-N -1 0 315.369 3.022 20 30 DGEDRM CCc1ccc(NC(=O)c2cccc(C#N)c2C)c(C(=O)[O-])c1 ZINC001597550752 988269602 /nfs/dbraw/zinc/26/96/02/988269602.db2.gz LMOGMNYSJVLUCZ-UHFFFAOYSA-N -1 0 308.337 3.380 20 30 DGEDRM CCc1cccc(C(=O)[O-])c1NC(=O)CCc1ccc(C#N)cc1 ZINC001597573654 988358402 /nfs/dbraw/zinc/35/84/02/988358402.db2.gz TYJSNLXRIGWYFS-UHFFFAOYSA-N -1 0 322.364 3.390 20 30 DGEDRM CSc1ccc(NN=Cc2cccn2[C@@H](C)C(=O)[O-])cc1 ZINC001599820530 988505716 /nfs/dbraw/zinc/50/57/16/988505716.db2.gz AEOUFWNIDKCYBG-NSHDSACASA-N -1 0 303.387 3.302 20 30 DGEDRM CCc1oc(C=NNCc2cccc(Cl)c2)cc1C(=O)[O-] ZINC001597793252 989343573 /nfs/dbraw/zinc/34/35/73/989343573.db2.gz YCUQWOIBWCOOKJ-UHFFFAOYSA-N -1 0 306.749 3.317 20 30 DGEDRM CCn1nc(/C=C/C(=O)c2cc(C(=O)[O-])co2)c2ccccc21 ZINC001597945983 989931194 /nfs/dbraw/zinc/93/11/94/989931194.db2.gz HUVLPLBFCUALFY-BQYQJAHWSA-N -1 0 310.309 3.244 20 30 DGEDRM CC(C)(C)c1n[nH]cc1C=CC(=O)c1cc(C(=O)[O-])cs1 ZINC001590537088 990151495 /nfs/dbraw/zinc/15/14/95/990151495.db2.gz PLEZMFRWLBHUTF-PLNGDYQASA-N -1 0 304.371 3.363 20 30 DGEDRM CN(C(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1C(=O)[O-] ZINC001598085861 990415743 /nfs/dbraw/zinc/41/57/43/990415743.db2.gz QHAWJIYGXLDLMB-UHFFFAOYSA-N -1 0 314.728 3.186 20 30 DGEDRM CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1cccc(C(=O)[O-])c1 ZINC001590822100 990663293 /nfs/dbraw/zinc/66/32/93/990663293.db2.gz UISSQJUSFFWXEM-UHFFFAOYSA-N -1 0 322.364 3.008 20 30 DGEDRM CC(C)[C@H](Cc1ccccc1)NN=C1CCC[C@@H](C(=O)[O-])C1 ZINC001590994221 991217785 /nfs/dbraw/zinc/21/77/85/991217785.db2.gz XPKAAWFNIKOKKB-WBVHZDCISA-N -1 0 302.418 3.474 20 30 DGEDRM CN(CCCCc1ccccc1)c1ccc(C(=O)[O-])nc1C#N ZINC001598477391 992097704 /nfs/dbraw/zinc/09/77/04/992097704.db2.gz MYCKTRSIZZIIIK-UHFFFAOYSA-N -1 0 309.369 3.111 20 30 DGEDRM CN(CCOc1ccc(C(=O)[O-])cc1Cl)[C@H]1CCC[C@@H]1C#N ZINC001598498650 992397692 /nfs/dbraw/zinc/39/76/92/992397692.db2.gz FWNXFCKSRYVZAP-OCCSQVGLSA-N -1 0 322.792 3.041 20 30 DGEDRM COc1ccc(NCc2ccc(C(=O)[O-])c(F)c2)cc1C#N ZINC001599596972 993761742 /nfs/dbraw/zinc/76/17/42/993761742.db2.gz CXULPEFKKFADKH-UHFFFAOYSA-N -1 0 300.289 3.016 20 30 DGEDRM COc1cccc(/C=N\[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1O ZINC001599663813 994696761 /nfs/dbraw/zinc/69/67/61/994696761.db2.gz FNMGTZNMMRXPRF-BOHNGVCUSA-N -1 0 311.337 3.133 20 30 DGEDRM COc1cccc(/C=N/[C@@H](CC(=O)[O-])c2cccc(C)c2)c1O ZINC001599663830 994697010 /nfs/dbraw/zinc/69/70/10/994697010.db2.gz FZXMPLCNWSXTKI-BKQORJHRSA-N -1 0 313.353 3.344 20 30 DGEDRM COc1cccc(/C=N\[C@@H](CC(=O)[O-])c2ccc(C)cc2)c1O ZINC001599663885 994698286 /nfs/dbraw/zinc/69/82/86/994698286.db2.gz HGPKAJPOGLKOPB-VUQQOUJSSA-N -1 0 313.353 3.344 20 30 DGEDRM COC(=O)C(C)(C)CCN=Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001598682532 994952783 /nfs/dbraw/zinc/95/27/83/994952783.db2.gz ACSNCXVKFQBIRS-UHFFFAOYSA-N -1 0 312.753 3.025 20 30 DGEDRM C[C@H](OC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC001593535202 995594367 /nfs/dbraw/zinc/59/43/67/995594367.db2.gz NPBRTBQPLLOWHE-LBPRGKRZSA-N -1 0 309.321 3.103 20 30 DGEDRM COc1ccc(C(=O)[O-])c(NCc2cccc(C#N)c2F)c1 ZINC001599491032 996940220 /nfs/dbraw/zinc/94/02/20/996940220.db2.gz ZINPZPISHKJTHF-UHFFFAOYSA-N -1 0 300.289 3.016 20 30 DGEDRM COc1cc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)ccc1C#N ZINC001599401039 997214599 /nfs/dbraw/zinc/21/45/99/997214599.db2.gz UPDJURTWALKZBQ-OQFOIZHKSA-N -1 0 307.305 3.161 20 30 DGEDRM COc1cc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)ccc1C#N ZINC001599401040 997215213 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ZINC000430593753 533249710 /nfs/dbraw/zinc/24/97/10/533249710.db2.gz UEAMBMVXFIVGEI-LLVKDONJSA-N -1 0 315.398 3.334 20 30 DGEDRM C[C@@H]1CCC[C@](C#N)(NC(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000183634145 296491767 /nfs/dbraw/zinc/49/17/67/296491767.db2.gz OAVAQCRTYMZKFQ-GLEZIHRCSA-N -1 0 312.291 3.012 20 30 DGEDRM Cc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)sc1C ZINC000091015434 400086874 /nfs/dbraw/zinc/08/68/74/400086874.db2.gz QSYZTMZULBZNMG-UHFFFAOYSA-N -1 0 306.412 3.346 20 30 DGEDRM N#CCc1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000006553329 400093855 /nfs/dbraw/zinc/09/38/55/400093855.db2.gz KBTNQUQQPKWXDT-UHFFFAOYSA-N -1 0 324.764 3.346 20 30 DGEDRM Cc1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)ns1 ZINC000581647015 400081437 /nfs/dbraw/zinc/08/14/37/400081437.db2.gz NXQNMMXMJACLJN-SECBINFHSA-N -1 0 311.288 3.355 20 30 DGEDRM C=C[C@@H](CC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1 ZINC000581784478 400083199 /nfs/dbraw/zinc/08/31/99/400083199.db2.gz HNYRJPMYWDGTTD-INIZCTEOSA-N -1 0 315.413 3.450 20 30 DGEDRM CCC(CC)(CNc1cccc(-n2cccn2)c1C#N)C(=O)[O-] ZINC000595968144 400297234 /nfs/dbraw/zinc/29/72/34/400297234.db2.gz GDGDPHDLTDMLEI-UHFFFAOYSA-N -1 0 312.373 3.047 20 30 DGEDRM N#Cc1ccc(C(F)(F)F)c(NC[C@@H](C(=O)[O-])C2CCC2)c1 ZINC000595978329 400298450 /nfs/dbraw/zinc/29/84/50/400298450.db2.gz VFRSSMUDDXMTKC-LLVKDONJSA-N -1 0 312.291 3.490 20 30 DGEDRM O=C([N-]c1nnc(C(F)(F)F)s1)c1ccc([N+](=O)[O-])s1 ZINC000029283542 400303958 /nfs/dbraw/zinc/30/39/58/400303958.db2.gz YVWNWLUKAVWKCM-UHFFFAOYSA-N -1 0 324.265 3.163 20 30 DGEDRM C[C@@H](CC(=O)[O-])CC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000601991491 400394796 /nfs/dbraw/zinc/39/47/96/400394796.db2.gz ITIUZUCCDPDNJG-UKRRQHHQSA-N -1 0 302.374 3.039 20 30 DGEDRM C=C(C)COc1cccc(NC(=O)[C@H](C)S[C@H](C)C(=O)[O-])c1 ZINC000601982336 400392406 /nfs/dbraw/zinc/39/24/06/400392406.db2.gz ILVLHOXLSGBLEX-NWDGAFQWSA-N -1 0 323.414 3.175 20 30 DGEDRM CC(C)C[C@@](C)(CC(=O)[O-])C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000601985768 400393372 /nfs/dbraw/zinc/39/33/72/400393372.db2.gz CLTWBFPHBSGSKQ-ACJLOTCBSA-N -1 0 316.401 3.263 20 30 DGEDRM CC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)s1 ZINC000041495819 400408757 /nfs/dbraw/zinc/40/87/57/400408757.db2.gz GGXRCDHKKVVSIZ-JTQLQIEISA-N -1 0 309.350 3.317 20 30 DGEDRM COc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)c(OC)c1 ZINC000041545802 400409589 /nfs/dbraw/zinc/40/95/89/400409589.db2.gz JUIFPLGWGGOSDH-ZDUSSCGKSA-N -1 0 322.320 3.335 20 30 DGEDRM N#CC(=C([O-])c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2o1 ZINC000041546282 400409645 /nfs/dbraw/zinc/40/96/45/400409645.db2.gz ZBFHPJPWRXXBSQ-GFCCVEGCSA-N -1 0 307.265 3.226 20 30 DGEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cnn(C)c3)n2)cc1 ZINC000041512894 400409655 /nfs/dbraw/zinc/40/96/55/400409655.db2.gz VFJAIYUBWVJTDH-AWEZNQCLSA-N -1 0 322.393 3.342 20 30 DGEDRM C[C@]1(C#N)CCCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C1 ZINC000612368597 400532638 /nfs/dbraw/zinc/53/26/38/400532638.db2.gz CKMCZHHJFKSIPR-CQSZACIVSA-N -1 0 313.184 3.465 20 30 DGEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](C)CCC(C)(C)C)cc1C#N ZINC000077036976 400686514 /nfs/dbraw/zinc/68/65/14/400686514.db2.gz CXJNKBZAOOLGFC-JTQLQIEISA-N -1 0 321.446 3.325 20 30 DGEDRM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000592991246 400727553 /nfs/dbraw/zinc/72/75/53/400727553.db2.gz CXYLNVOXYQAHIO-UHFFFAOYSA-N -1 0 322.773 3.021 20 30 DGEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccccc1OCCC(C)C ZINC000594466340 401074850 /nfs/dbraw/zinc/07/48/50/401074850.db2.gz LSJUOSPFTKIHEO-CYBMUJFWSA-N -1 0 310.419 3.155 20 30 DGEDRM N#CC(=C([O-])c1cc2ccccc2o1)c1nnc2n1CCCCC2 ZINC000060851373 401137525 /nfs/dbraw/zinc/13/75/25/401137525.db2.gz QPXCSRWYQMIXNG-CYBMUJFWSA-N -1 0 320.352 3.241 20 30 DGEDRM N#CC1(c2ccc(CN[C@H](C(=O)[O-])c3cccs3)cc2)CC1 ZINC000594689125 401151243 /nfs/dbraw/zinc/15/12/43/401151243.db2.gz CZGZWHOJHJGNMV-HNNXBMFYSA-N -1 0 312.394 3.219 20 30 DGEDRM CCOc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)c(C)c1 ZINC000594696844 401154024 /nfs/dbraw/zinc/15/40/24/401154024.db2.gz REJSKRADVSDZBN-WQLSENKSSA-N -1 0 309.369 3.218 20 30 DGEDRM N#C[C@@]1(F)CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C1 ZINC000615826038 401158791 /nfs/dbraw/zinc/15/87/91/401158791.db2.gz QKKVJQNURBRXGT-INIZCTEOSA-N -1 0 318.735 3.277 20 30 DGEDRM C=CCC[C@@H](NC(=O)Cc1c(CC)oc2ccccc21)C(=O)[O-] ZINC000630181004 401209900 /nfs/dbraw/zinc/20/99/00/401209900.db2.gz FWCCEMBPAYOPQQ-CQSZACIVSA-N -1 0 315.369 3.073 20 30 DGEDRM CCn1ncc(Cl)c1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000621721161 401284542 /nfs/dbraw/zinc/28/45/42/401284542.db2.gz CDTLJBSYXMAMMA-SECBINFHSA-N -1 0 320.805 3.380 20 30 DGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(OCCCC)cc1)C(=O)[O-] ZINC000630319143 401244891 /nfs/dbraw/zinc/24/48/91/401244891.db2.gz SVPFWBIPTXZISS-OAHLLOKOSA-N -1 0 305.374 3.015 20 30 DGEDRM C=C(C)C[C@H](NC(=O)c1cc2c(s1)CC[C@@H](C)C2)C(=O)[O-] ZINC000630319146 401245150 /nfs/dbraw/zinc/24/51/50/401245150.db2.gz SWFSUXSAHBDIJM-PWSUYJOCSA-N -1 0 307.415 3.022 20 30 DGEDRM C=C(C)C[C@@H](NC(=O)Cc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000630319035 401245207 /nfs/dbraw/zinc/24/52/07/401245207.db2.gz QSYGAQJQIJKURO-GFCCVEGCSA-N -1 0 316.184 3.072 20 30 DGEDRM C=C(C)C[C@H](NC(=O)Cc1coc2cc(C)c(C)cc12)C(=O)[O-] ZINC000630319092 401245264 /nfs/dbraw/zinc/24/52/64/401245264.db2.gz RTMBEXIPAFCDFP-HNNXBMFYSA-N -1 0 315.369 3.128 20 30 DGEDRM C=C(C)C[C@H](NC(=O)c1cc2cccc(C)c2s1)C(=O)[O-] ZINC000630321764 401245827 /nfs/dbraw/zinc/24/58/27/401245827.db2.gz MTRYEOOIXKQBKH-LBPRGKRZSA-N -1 0 303.383 3.359 20 30 DGEDRM C=C[C@@H](CC(=O)N1CCCCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000621569177 401254302 /nfs/dbraw/zinc/25/43/02/401254302.db2.gz FQJAMBYYFHZUHR-GOEBONIOSA-N -1 0 301.386 3.202 20 30 DGEDRM C=C(C)[C@@H](NC(=O)CC1(C(=O)[O-])CCC1)c1ccc(F)c(F)c1 ZINC000634829850 401355707 /nfs/dbraw/zinc/35/57/07/401355707.db2.gz IFRABVOUZSKROD-OAHLLOKOSA-N -1 0 323.339 3.343 20 30 DGEDRM C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000634870947 401365254 /nfs/dbraw/zinc/36/52/54/401365254.db2.gz XQJFYMUUDPKMFH-CABCVRRESA-N -1 0 317.360 3.007 20 30 DGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)[C@](C)(CC)CC(=O)[O-] ZINC000634896095 401371063 /nfs/dbraw/zinc/37/10/63/401371063.db2.gz WFZFBNCHOLRIFK-GOSISDBHSA-N -1 0 319.401 3.101 20 30 DGEDRM C=CC[C@H]1CCCN(C(=O)C[C@](C)(C(=O)[O-])c2ccccc2)C1 ZINC000634927517 401379758 /nfs/dbraw/zinc/37/97/58/401379758.db2.gz RHEMTYKNMGLCAK-KXBFYZLASA-N -1 0 315.413 3.234 20 30 DGEDRM C=CCCC(C)(C)NC(=O)[C@@](C)(CC(=O)[O-])c1ccsc1 ZINC000634932843 401381151 /nfs/dbraw/zinc/38/11/51/401381151.db2.gz KNYRQLGNCPSKGV-INIZCTEOSA-N -1 0 309.431 3.342 20 30 DGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)s1 ZINC000230334948 165396149 /nfs/dbraw/zinc/39/61/49/165396149.db2.gz DBVDFALAJDKSGD-UHFFFAOYSA-N -1 0 316.766 3.213 20 30 DGEDRM COc1cc(C)sc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000190888315 432196925 /nfs/dbraw/zinc/19/69/25/432196925.db2.gz DAZYCKIGVFRVOO-LLVKDONJSA-N -1 0 323.377 3.498 20 30 DGEDRM [O-]c1c(Cl)cc(Cl)cc1/C=N/CCCO[C@H]1CCOC1 ZINC000129353019 227014158 /nfs/dbraw/zinc/01/41/58/227014158.db2.gz URUZHROJYGYGKT-OPFCKLNOSA-N -1 0 318.200 3.314 20 30 DGEDRM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000169251128 228267040 /nfs/dbraw/zinc/26/70/40/228267040.db2.gz UGAHOZAOQBPFGE-UHFFFAOYSA-N -1 0 324.764 3.460 20 30 DGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)CCC(=O)[O-] ZINC000263458633 228650155 /nfs/dbraw/zinc/65/01/55/228650155.db2.gz CUJPSNMXMQOOMG-LLVKDONJSA-N -1 0 321.402 3.019 20 30 DGEDRM Cc1ccc(CNC(=O)N=c2nc(C(C)(C)C)[n-]s2)s1 ZINC000330788598 229004742 /nfs/dbraw/zinc/00/47/42/229004742.db2.gz AGFNSZKGYWQSLO-UHFFFAOYSA-N -1 0 310.448 3.154 20 30 DGEDRM Cc1nc(C)c(C([O-])=C(C#N)c2nc(C(C)C)cs2)nc1C ZINC000331017425 229013837 /nfs/dbraw/zinc/01/38/37/229013837.db2.gz ZVIQBMVZFIIGBD-LBPRGKRZSA-N -1 0 314.414 3.472 20 30 DGEDRM N#CC(=C([O-])c1cc2cc([N+](=O)[O-])ccc2o1)c1ccccn1 ZINC000338311673 229062925 /nfs/dbraw/zinc/06/29/25/229062925.db2.gz CSVUNNSXHDVODY-GFCCVEGCSA-N -1 0 307.265 3.226 20 30 DGEDRM N#CC(=C([O-])c1ccn(-c2ccc(Cl)cc2)n1)c1ccccn1 ZINC000339880059 229083805 /nfs/dbraw/zinc/08/38/05/229083805.db2.gz NSIKZUJWXRGKJC-CQSZACIVSA-N -1 0 322.755 3.411 20 30 DGEDRM N#CC(=C([O-])c1cccc2nccnc21)c1nc2ccccc2o1 ZINC000349274500 229211301 /nfs/dbraw/zinc/21/13/01/229211301.db2.gz FWMQGAJLCMPCDY-LBPRGKRZSA-N -1 0 314.304 3.261 20 30 DGEDRM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccsc2)c1 ZINC000350035095 229218769 /nfs/dbraw/zinc/21/87/69/229218769.db2.gz NDGVUHIAAUGEOY-UHFFFAOYSA-N -1 0 322.411 3.231 20 30 DGEDRM C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccoc1 ZINC000349966182 229219447 /nfs/dbraw/zinc/21/94/47/229219447.db2.gz QBWGGLARYBVQSM-LLVKDONJSA-N -1 0 322.411 3.332 20 30 DGEDRM N#CC(=C([O-])c1cc(-c2ccccc2Cl)on1)c1ccncn1 ZINC000354465952 229296470 /nfs/dbraw/zinc/29/64/70/229296470.db2.gz JREWBVAYVXZEKI-NSHDSACASA-N -1 0 324.727 3.275 20 30 DGEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(C(C)C)cn3)nc1-2 ZINC000355155346 229305879 /nfs/dbraw/zinc/30/58/79/229305879.db2.gz CTKPNDSEOLOSBF-ZDUSSCGKSA-N -1 0 319.368 3.275 20 30 DGEDRM C=C(C)CS(=O)(=O)[N-][C@H](CCc1ccccc1)C(F)(F)F ZINC000280578891 277780596 /nfs/dbraw/zinc/78/05/96/277780596.db2.gz MPUAFHHWJDOJLZ-CYBMUJFWSA-N -1 0 321.364 3.046 20 30 DGEDRM N#CC(=C([O-])c1cscn1)c1nc(-c2ccncc2)cs1 ZINC000114620792 431401973 /nfs/dbraw/zinc/40/19/73/431401973.db2.gz KSDGGQWLISBRHP-JTQLQIEISA-N -1 0 312.379 3.152 20 30 DGEDRM CCCOc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1 ZINC000074983501 431449070 /nfs/dbraw/zinc/44/90/70/431449070.db2.gz IKOCOGIXDYEGBD-UHFFFAOYSA-N -1 0 316.382 3.148 20 30 DGEDRM N#CC(=C([O-])c1ccc2c(c1)CCO2)c1nc2ccccc2o1 ZINC000041540036 431860239 /nfs/dbraw/zinc/86/02/39/431860239.db2.gz ZMXCKDHCBLPAKH-CYBMUJFWSA-N -1 0 304.305 3.253 20 30 DGEDRM COc1ccc(OC)c(C([O-])=C(C#N)c2nc3ccccc3o2)c1 ZINC000041544726 431860884 /nfs/dbraw/zinc/86/08/84/431860884.db2.gz CPBZSVBMBDVJOC-CYBMUJFWSA-N -1 0 322.320 3.335 20 30 DGEDRM Cc1csc(C(C#N)=C([O-])c2cn(C)nc2-c2ccccc2)n1 ZINC000091437625 431904918 /nfs/dbraw/zinc/90/49/18/431904918.db2.gz AFIXEGOMFATFHI-ZDUSSCGKSA-N -1 0 322.393 3.342 20 30 DGEDRM CC(C)c1csc(C(C#N)=C([O-])c2cnn3c2CCCC3)n1 ZINC000125811030 431935967 /nfs/dbraw/zinc/93/59/67/431935967.db2.gz ANCNOPMJXUBFMZ-NSHDSACASA-N -1 0 314.414 3.289 20 30 DGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)c1ncccc1[O-] ZINC000126949199 431961483 /nfs/dbraw/zinc/96/14/83/431961483.db2.gz OHYNBDFXIPDTJT-NSHDSACASA-N -1 0 313.382 3.291 20 30 DGEDRM CCOc1ccc([N-]S(=O)(=O)c2ccccc2C#N)c(C)c1 ZINC000055663425 431984744 /nfs/dbraw/zinc/98/47/44/431984744.db2.gz CXKAMRMLKSFTKP-UHFFFAOYSA-N -1 0 316.382 3.066 20 30 DGEDRM CCN(CC)c1ccc(C=Nc2cccc(C(N)=O)c2)c(O)c1 ZINC000254519960 432402807 /nfs/dbraw/zinc/40/28/07/432402807.db2.gz YIRATXVBHWNIGY-UHFFFAOYSA-N -1 0 311.385 3.088 20 30 DGEDRM CC(C)(C)c1cc(C([O-])=C(C#N)c2nc3ccccc3o2)n[nH]1 ZINC000193620539 432484957 /nfs/dbraw/zinc/48/49/57/432484957.db2.gz KEWFGOAZVCWMCN-SNVBAGLBSA-N -1 0 308.341 3.338 20 30 DGEDRM C=CCOc1ccc(C(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])cc1 ZINC000262708766 432499564 /nfs/dbraw/zinc/49/95/64/432499564.db2.gz BEMCFSLDVLWTBU-YJBOKZPZSA-N -1 0 317.385 3.015 20 30 DGEDRM C=CCC[C@@H](NC(=O)C1(c2ccc(F)cc2)CCCC1)C(=O)[O-] ZINC000262912444 432507711 /nfs/dbraw/zinc/50/77/11/432507711.db2.gz NHVCXZLVUWODKG-OAHLLOKOSA-N -1 0 319.376 3.173 20 30 DGEDRM C=CCC[C@@H](NC(=O)[C@H](C)c1cc2ccccc2o1)C(=O)[O-] ZINC000262875982 432507734 /nfs/dbraw/zinc/50/77/34/432507734.db2.gz KDKYHHQHGFCVBU-DGCLKSJQSA-N -1 0 301.342 3.072 20 30 DGEDRM C=CCC[C@@H](NC(=O)COc1cc(C)ccc1C(C)C)C(=O)[O-] ZINC000262963366 432511655 /nfs/dbraw/zinc/51/16/55/432511655.db2.gz RZKZGQSYJSMZPG-OAHLLOKOSA-N -1 0 319.401 3.033 20 30 DGEDRM Cc1csc(C(C#N)=C([O-])c2c[nH]nc2-c2ccccc2)n1 ZINC000193269468 432460627 /nfs/dbraw/zinc/46/06/27/432460627.db2.gz MHXQPPRTEZNOSJ-LBPRGKRZSA-N -1 0 308.366 3.332 20 30 DGEDRM CSc1ccccc1S(=O)(=O)[N-]c1ccccc1CC#N ZINC000193356869 432468457 /nfs/dbraw/zinc/46/84/57/432468457.db2.gz 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DGEDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cccc(CC#N)c2)cc1 ZINC000362773709 433855584 /nfs/dbraw/zinc/85/55/84/433855584.db2.gz MRRGDBKXJBEBOT-UHFFFAOYSA-N -1 0 322.364 3.367 20 30 DGEDRM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000436169876 433897029 /nfs/dbraw/zinc/89/70/29/433897029.db2.gz CFLFAPGESWMDOR-UHFFFAOYSA-N -1 0 311.366 3.149 20 30 DGEDRM CNc1ccc(C#N)cc1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000436679356 434063635 /nfs/dbraw/zinc/06/36/35/434063635.db2.gz FSNLJIWBKGRQKI-UHFFFAOYSA-N -1 0 301.733 3.211 20 30 DGEDRM CC(C)(C#N)CNC(=O)c1cc(CCc2ccccc2)ccc1O ZINC000436719870 434080519 /nfs/dbraw/zinc/08/05/19/434080519.db2.gz ISUADCVADFCQKD-UHFFFAOYSA-N -1 0 322.408 3.457 20 30 DGEDRM CC(C)(CCC(=O)[O-])Nc1ccc(C(F)(F)F)c(C#N)n1 ZINC000416428515 434125764 /nfs/dbraw/zinc/12/57/64/434125764.db2.gz QWENHRPOKHWMHU-UHFFFAOYSA-N -1 0 301.268 3.027 20 30 DGEDRM CCCNc1ccc(C#N)cc1NC(=O)c1c([O-])cccc1F ZINC000436994966 434199967 /nfs/dbraw/zinc/19/99/67/434199967.db2.gz BDTBQDPTXQOQBQ-UHFFFAOYSA-N 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C=CCC[C@H](NC(=O)NC[C@@H](C(=O)[O-])C(C)C)c1ccccc1 ZINC000655872001 435851924 /nfs/dbraw/zinc/85/19/24/435851924.db2.gz KNFIDPSTKHETHG-CVEARBPZSA-N -1 0 318.417 3.350 20 30 DGEDRM C=CCCC1(CNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])CCCC1 ZINC000656487669 435958660 /nfs/dbraw/zinc/95/86/60/435958660.db2.gz XXBJPHBHGAWVEA-CABCVRRESA-N -1 0 305.418 3.296 20 30 DGEDRM N#CC(=C([O-])c1cn(C2CCC2)nn1)c1ccc2ccccc2n1 ZINC000647181011 435963266 /nfs/dbraw/zinc/96/32/66/435963266.db2.gz FIUJYADHDLZAFT-AWEZNQCLSA-N -1 0 317.352 3.041 20 30 DGEDRM COCc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)o1 ZINC000647375616 436036253 /nfs/dbraw/zinc/03/62/53/436036253.db2.gz AVRRKKXYIJORJA-NSHDSACASA-N -1 0 302.355 3.250 20 30 DGEDRM Cc1cc(C)c2ncc(C#N)c(N3C[C@H](C(=O)[O-])C[C@H](C)C3)c2c1 ZINC000263256687 301214033 /nfs/dbraw/zinc/21/40/33/301214033.db2.gz UFLWRGSQDOGWBH-GXTWGEPZSA-N -1 0 323.396 3.270 20 30 DGEDRM C=C(C)CN(CC)C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000666259798 436187374 /nfs/dbraw/zinc/18/73/74/436187374.db2.gz RPJCXKWBOJUHFG-UHFFFAOYSA-N -1 0 319.792 3.270 20 30 DGEDRM C=CCC[C@@H](NC(=O)N[C@@H]1CCCc2c(C)cccc21)C(=O)[O-] ZINC000663270564 436432413 /nfs/dbraw/zinc/43/24/13/436432413.db2.gz ZTRGRBAQCUMEJG-HZPDHXFCSA-N -1 0 316.401 3.091 20 30 DGEDRM CCCn1nccc1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000659115978 436462777 /nfs/dbraw/zinc/46/27/77/436462777.db2.gz MIBGCYRANNRFGM-NSHDSACASA-N -1 0 300.387 3.117 20 30 DGEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000659166695 436471265 /nfs/dbraw/zinc/47/12/65/436471265.db2.gz QNEWKSONLCAXIV-BBRMVZONSA-N -1 0 301.386 3.178 20 30 DGEDRM CC(C)(C)n1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)n1 ZINC000654990456 436482955 /nfs/dbraw/zinc/48/29/55/436482955.db2.gz GYOOKWVLPLHXBI-GFCCVEGCSA-N -1 0 319.368 3.071 20 30 DGEDRM C=CC[C@@H]1CCCN(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1 ZINC000659412624 436506460 /nfs/dbraw/zinc/50/64/60/436506460.db2.gz NMMDLRPTCDSZQB-APIJFGDWSA-N -1 0 322.449 3.120 20 30 DGEDRM N#Cc1ccc(C(F)(F)F)c(N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c1 ZINC000263550143 303189443 /nfs/dbraw/zinc/18/94/43/303189443.db2.gz KEDDZYQXIUFWCR-XHDPSFHLSA-N -1 0 324.302 3.268 20 30 DGEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)c(Cl)c1 ZINC000558594763 314851618 /nfs/dbraw/zinc/85/16/18/314851618.db2.gz BHRQPVLNGGYCML-UHFFFAOYSA-N -1 0 324.764 3.460 20 30 DGEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C/c1ccnn1C1CCCC1 ZINC000562772311 315051909 /nfs/dbraw/zinc/05/19/09/315051909.db2.gz VFNXJZYQVLZYJQ-SOFGYWHQSA-N -1 0 308.341 3.133 20 30 DGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2ccccc2F)s1 ZINC000565749327 315284519 /nfs/dbraw/zinc/28/45/19/315284519.db2.gz PWRBGNUNXYVUKW-UHFFFAOYSA-N -1 0 310.375 3.122 20 30 DGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2ccc(C)cc2F)s1 ZINC000575634197 316056119 /nfs/dbraw/zinc/05/61/19/316056119.db2.gz ABSIUNLNKFQWNO-UHFFFAOYSA-N -1 0 324.402 3.431 20 30 DGEDRM N#Cc1cnc2c(Cl)cccc2c1N1CCC[C@H](C(=O)[O-])C1 ZINC000583630546 324378153 /nfs/dbraw/zinc/37/81/53/324378153.db2.gz HJLGLBNTOLMVOU-JTQLQIEISA-N -1 0 315.760 3.061 20 30 DGEDRM N#CCc1cccc(NC(=O)CC2(CC(=O)[O-])CCCC2)c1 ZINC000313440410 331956403 /nfs/dbraw/zinc/95/64/03/331956403.db2.gz SHEQCYSDCRILAK-UHFFFAOYSA-N -1 0 300.358 3.116 20 30 DGEDRM CS(=O)(=O)[N-]C(=O)C1(c2cccc(Cl)c2)CCCC1 ZINC000048486791 332303944 /nfs/dbraw/zinc/30/39/44/332303944.db2.gz YHZXLAAGZHOROD-UHFFFAOYSA-N -1 0 301.795 3.068 20 30 DGEDRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCCC2)C1CCCC1 ZINC000048614768 332304407 /nfs/dbraw/zinc/30/44/07/332304407.db2.gz XXPBBUIPWSVVAR-UHFFFAOYSA-N -1 0 307.415 3.401 20 30 DGEDRM C=CCCC[C@@H](C)NC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000562431995 332592730 /nfs/dbraw/zinc/59/27/30/332592730.db2.gz VLYCDKCMVYIYHD-UKRRQHHQSA-N -1 0 304.390 3.199 20 30 DGEDRM C[C@H]1CCc2onc(C([O-])=C(C#N)c3nc4ccccc4o3)c2C1 ZINC000571372323 333779840 /nfs/dbraw/zinc/77/98/40/333779840.db2.gz NGAGFMALJYTRIB-CMPLNLGQSA-N -1 0 321.336 3.431 20 30 DGEDRM C=CCCC[C@H](C)NC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 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C=CCC1(c2nc(-c3cccc(C(=O)[O-])c3)no2)CCOCC1 ZINC001588458744 958465785 /nfs/dbraw/zinc/46/57/85/958465785.db2.gz YPARXSSHLLABAP-UHFFFAOYSA-N -1 0 314.341 3.059 20 30 DGEDRM C=C[C@@H](OC(=O)c1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC001573330120 958516893 /nfs/dbraw/zinc/51/68/93/958516893.db2.gz UUPUHXQQJCWDNO-MRXNPFEDSA-N -1 0 312.321 3.234 20 30 DGEDRM C[C@@H](C(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC001573372106 958631795 /nfs/dbraw/zinc/63/17/95/958631795.db2.gz HDUPSDWRLPJFPO-LLVKDONJSA-N -1 0 310.309 3.010 20 30 DGEDRM C[C@@H](CN(C)C(=O)c1ccccc1-c1ccccc1C#N)C(=O)[O-] ZINC001573588235 959379808 /nfs/dbraw/zinc/37/98/08/959379808.db2.gz HCJMSKFSHFQADV-ZDUSSCGKSA-N -1 0 322.364 3.018 20 30 DGEDRM CC(C)(C#N)CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001588607760 959495379 /nfs/dbraw/zinc/49/53/79/959495379.db2.gz ZPHVDMRGKLVYBI-UHFFFAOYSA-N -1 0 306.387 3.203 20 30 DGEDRM C[C@H]1CCc2c(sc(NC(=O)CC(C)(C)C#N)c2C(=O)[O-])C1 ZINC001573738849 960473653 /nfs/dbraw/zinc/47/36/53/960473653.db2.gz 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309.793 3.282 20 30 DGEDRM C=C(Cl)C[C@@H](NC(=O)[C@H]1CC[C@H](C(C)C)CC1)C(=O)[O-] ZINC000864186458 621748922 /nfs/dbraw/zinc/74/89/22/621748922.db2.gz PVJNPCXFKMCYHY-JHJVBQTASA-N -1 0 301.814 3.161 20 30 DGEDRM C=C(Cl)C[C@H](NC(=O)[C@H]1CC[C@H](C2CCC2)CC1)C(=O)[O-] ZINC000864186537 621748937 /nfs/dbraw/zinc/74/89/37/621748937.db2.gz ROGSJOYQPKBNRN-IHRRRGAJSA-N -1 0 313.825 3.305 20 30 DGEDRM C=C(Cl)C[C@@H](NC(=O)CC[C@H](C)c1ccccc1)C(=O)[O-] ZINC000864185960 621749010 /nfs/dbraw/zinc/74/90/10/621749010.db2.gz GMCROQVSZJOCPN-SMDDNHRTSA-N -1 0 309.793 3.282 20 30 DGEDRM C=C(Cl)C[C@@H](NC(=O)[C@@H](C)c1cccc(Cl)c1)C(=O)[O-] ZINC000864185217 621749012 /nfs/dbraw/zinc/74/90/12/621749012.db2.gz WJRMFDHKGXYPSD-JOYOIKCWSA-N -1 0 316.184 3.156 20 30 DGEDRM C=C(C)C[C@@H](NC(=O)c1cc2c(cccc2C2CC2)[nH]1)C(=O)[O-] ZINC000864187818 621749391 /nfs/dbraw/zinc/74/93/91/621749391.db2.gz PEGSPBIOABCQKU-MRXNPFEDSA-N -1 0 312.369 3.195 20 30 DGEDRM Cc1nn(-c2ccccc2)cc1C=NNc1ccc(C(=O)[O-])cc1 ZINC000864276370 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983646867 /nfs/dbraw/zinc/64/68/67/983646867.db2.gz MUKKNDHDJMULFY-UHFFFAOYSA-N -1 0 313.353 3.125 20 30 DGEDRM C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc(C(=O)[O-])nc1 ZINC001588599233 983689074 /nfs/dbraw/zinc/68/90/74/983689074.db2.gz JXQOAMVLDPHOQC-OSAQELSMSA-N -1 0 303.358 3.318 20 30 DGEDRM C=C(CC)CNC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001588607204 983700259 /nfs/dbraw/zinc/70/02/59/983700259.db2.gz VVXKHOYHNALAOO-UHFFFAOYSA-N -1 0 317.389 3.073 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)N1CCCC[C@H]1Cc1ccccc1F ZINC001588615125 983710106 /nfs/dbraw/zinc/71/01/06/983710106.db2.gz KXMCJORWGYHGPI-HNNXBMFYSA-N -1 0 319.376 3.170 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC001588615561 983712484 /nfs/dbraw/zinc/71/24/84/983712484.db2.gz YEENNPJBYHZCJA-AWEZNQCLSA-N -1 0 309.312 3.049 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@]1(C)Cc1cccs1 ZINC001588615551 983712587 /nfs/dbraw/zinc/71/25/87/983712587.db2.gz XYDHDLXOTMHPRS-MRXNPFEDSA-N -1 0 307.415 3.093 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC001588618831 983713511 /nfs/dbraw/zinc/71/35/11/983713511.db2.gz BBCJHNHXGFNRTP-AWEZNQCLSA-N -1 0 303.402 3.278 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)NCC(C)(C)Cc1cccc(Cl)c1 ZINC001588622995 983726075 /nfs/dbraw/zinc/72/60/75/983726075.db2.gz IOLBTATZISYIFI-UHFFFAOYSA-N -1 0 323.820 3.446 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(-c2nc(C)cs2)cc1 ZINC001588629247 983735919 /nfs/dbraw/zinc/73/59/19/983735919.db2.gz CWJQSWQSWYJEEL-UHFFFAOYSA-N -1 0 316.382 3.478 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)NCc1cn(C(F)F)c2ccccc12 ZINC001588629448 983737446 /nfs/dbraw/zinc/73/74/46/983737446.db2.gz BLSAMSXWXFLPKQ-UHFFFAOYSA-N -1 0 322.311 3.074 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC001588629809 983739384 /nfs/dbraw/zinc/73/93/84/983739384.db2.gz VBPJGVNDNLTRFI-UHFFFAOYSA-N -1 0 319.691 3.301 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cccc(C)c1Br ZINC001588633456 983749557 /nfs/dbraw/zinc/74/95/57/983749557.db2.gz HXMHWFMZGMSIRZ-UHFFFAOYSA-N 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318.417 3.492 20 30 DGEDRM C=CCC(C)(C)c1noc(CCc2ccccc2C(=O)[O-])n1 ZINC001588736259 984024166 /nfs/dbraw/zinc/02/41/66/984024166.db2.gz FUDOWNDDGQVGLG-UHFFFAOYSA-N -1 0 300.358 3.407 20 30 DGEDRM C=CC[C@H](Sc1nncn1-c1ccc(C)cc1C)C(=O)[O-] ZINC001588763216 984118695 /nfs/dbraw/zinc/11/86/95/984118695.db2.gz QKPHOHOWOGGHBV-ZDUSSCGKSA-N -1 0 303.387 3.006 20 30 DGEDRM C=CCC1(CNC(=O)NCc2cc(C)c(C(=O)[O-])o2)CCCC1 ZINC001588767101 984128301 /nfs/dbraw/zinc/12/83/01/984128301.db2.gz JKNNVTOXYFZDBO-UHFFFAOYSA-N -1 0 320.389 3.222 20 30 DGEDRM C=CCC1(NC(=O)Nc2ccc(CC(=O)[O-])cc2)CCCC1 ZINC001588767268 984129474 /nfs/dbraw/zinc/12/94/74/984129474.db2.gz RJZBJEHNUAZDMC-UHFFFAOYSA-N -1 0 302.374 3.324 20 30 DGEDRM C=CCC1(CNC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)CCCC1 ZINC001588767326 984130008 /nfs/dbraw/zinc/13/00/08/984130008.db2.gz VJZGJAJUUWLPIW-KSSFIOAISA-N -1 0 320.433 3.019 20 30 DGEDRM C=CCC[C@@H](C(=O)NC[C@@H](CC1CC1)C(=O)[O-])c1ccccc1 ZINC001588776715 984153030 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C=CCCCCn1c(C(C)C)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588802722 984250603 /nfs/dbraw/zinc/25/06/03/984250603.db2.gz VKOKHRMZPRPUGC-AWEZNQCLSA-N -1 0 320.437 3.059 20 30 DGEDRM C=CCCOCCCCC(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC001588810449 984267475 /nfs/dbraw/zinc/26/74/75/984267475.db2.gz QXAOSLQGWCNCEA-UHFFFAOYSA-N -1 0 305.374 3.395 20 30 DGEDRM C=CCN(Cc1cccs1)C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001588831670 984315718 /nfs/dbraw/zinc/31/57/18/984315718.db2.gz HQBGGKHEWOHJCR-UHFFFAOYSA-N -1 0 317.370 3.061 20 30 DGEDRM C=CCN(Cc1ccccc1)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001588832503 984322887 /nfs/dbraw/zinc/32/28/87/984322887.db2.gz ICUGCDGBWHXMRY-PKNBQFBNSA-N -1 0 311.337 3.206 20 30 DGEDRM C=CCOc1ccc(OC(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC001588872766 984442023 /nfs/dbraw/zinc/44/20/23/984442023.db2.gz ILZOYNNCSNPKAG-CSKARUKUSA-N -1 0 314.293 3.161 20 30 DGEDRM C=CCOc1ccc(Oc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001588872830 984442565 /nfs/dbraw/zinc/44/25/65/984442565.db2.gz 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ZINC001599962880 985826907 /nfs/dbraw/zinc/82/69/07/985826907.db2.gz MPDGZVWKUNOBPW-MSOLQXFVSA-N -1 0 323.396 3.293 20 30 DGEDRM Cc1[nH]c(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1C(=O)[O-] ZINC001599962882 985827200 /nfs/dbraw/zinc/82/72/00/985827200.db2.gz MPDGZVWKUNOBPW-ROUUACIJSA-N -1 0 323.396 3.293 20 30 DGEDRM Cc1c(C#N)cccc1C(=O)OCc1ccc(C(=O)[O-])cc1F ZINC001599973369 986045968 /nfs/dbraw/zinc/04/59/68/986045968.db2.gz PNPWGYICVLMCEG-UHFFFAOYSA-N -1 0 313.284 3.061 20 30 DGEDRM C[C@H](C#N)CN(C)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001589328871 986159873 /nfs/dbraw/zinc/15/98/73/986159873.db2.gz HAZCNPLZQZWUFM-PELKAZGASA-N -1 0 301.173 3.211 20 30 DGEDRM C[C@@H](C#N)Oc1ccccc1NCc1ccc(/C=C\C(=O)[O-])o1 ZINC001589335677 986212267 /nfs/dbraw/zinc/21/22/67/986212267.db2.gz SKTBPIHEYMEDEW-LAUAKBEESA-N -1 0 312.325 3.280 20 30 DGEDRM CCOc1cc(C#N)ccc1OC[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001596993700 986287151 /nfs/dbraw/zinc/28/71/51/986287151.db2.gz SMIREEIMQPDQFP-KGLIPLIRSA-N -1 0 303.358 3.227 20 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/nfs/dbraw/zinc/60/80/06/620608006.db2.gz ZIFVROXFCWLJPP-UHFFFAOYSA-N -1 0 300.309 3.085 20 30 DGEDRM Cc1cc([O-])cc2c1C(=O)C(=NNc1ccc(Cl)cc1)O2 ZINC000915933379 620608844 /nfs/dbraw/zinc/60/88/44/620608844.db2.gz VGGJZNUYNMKJBC-UHFFFAOYSA-N -1 0 302.717 3.355 20 30 DGEDRM O=C([O-])COc1ccc(/C=C\C(=O)c2cccc(F)c2)cc1 ZINC000916134193 620618751 /nfs/dbraw/zinc/61/87/51/620618751.db2.gz FFPSZMWZZRMUMM-TWGQIWQCSA-N -1 0 300.285 3.185 20 30 DGEDRM CC(=[NH+][N-]c1ccc(Cl)c(C(=O)[O-])c1)c1ccc(N)cc1 ZINC000916540397 620633481 /nfs/dbraw/zinc/63/34/81/620633481.db2.gz UVSBDVJRPJAJJL-UHFFFAOYSA-N -1 0 303.749 3.457 20 30 DGEDRM C=CCCSCCNC(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000855383826 620898191 /nfs/dbraw/zinc/89/81/91/620898191.db2.gz LXMLOXRNNJXGGT-UHFFFAOYSA-N -1 0 308.428 3.156 20 30 DGEDRM C[C@@H]1CCCC[C@H]1CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736778384 620920728 /nfs/dbraw/zinc/92/07/28/620920728.db2.gz FUWNGGYOBMOCPG-PVUWLOKVSA-N -1 0 315.369 3.444 20 30 DGEDRM C=CCCO[N-]C(=O)[C@@H](C)Oc1cccc(Cl)c1Cl ZINC000856030781 620955025 /nfs/dbraw/zinc/95/50/25/620955025.db2.gz QUQNMPCRBPUYHT-SECBINFHSA-N -1 0 304.173 3.385 20 30 DGEDRM [O-]c1c(Cl)cc(Cl)cc1/C=N/CCOC[C@H]1CCCO1 ZINC000114990765 621071263 /nfs/dbraw/zinc/07/12/63/621071263.db2.gz MHKCXASIFHPMJD-VQGSWFTOSA-N -1 0 318.200 3.314 20 30 DGEDRM N#CC[C@@H](NCc1cccc(Br)c1[O-])C(F)(F)F ZINC000922647485 621072957 /nfs/dbraw/zinc/07/29/57/621072957.db2.gz UFAOZLVXLFJVHA-SECBINFHSA-N -1 0 323.112 3.089 20 30 DGEDRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C1(C#N)CCCCC1 ZINC000923074776 621154617 /nfs/dbraw/zinc/15/46/17/621154617.db2.gz FHMUVRKYHAQLLA-UHFFFAOYSA-N -1 0 300.358 3.414 20 30 DGEDRM C[C@H](Cc1ccc(NC(=O)C2(C#N)CCCCC2)cc1)C(=O)[O-] ZINC000923075191 621154635 /nfs/dbraw/zinc/15/46/35/621154635.db2.gz JCWAOMDZTQUCLU-CYBMUJFWSA-N -1 0 314.385 3.362 20 30 DGEDRM CCC(C#N)(CC)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000923103481 621157044 /nfs/dbraw/zinc/15/70/44/621157044.db2.gz JWTNXXLEANGTBO-UONOGXRCSA-N -1 0 300.358 3.143 20 30 DGEDRM Cc1cc(F)c(NC(=O)[C@]2(C#N)CC23CCCC3)cc1C(=O)[O-] ZINC000923111832 621158617 /nfs/dbraw/zinc/15/86/17/621158617.db2.gz UMZUHFDZVUHGHU-QGZVFWFLSA-N -1 0 316.332 3.245 20 30 DGEDRM C[C@@](O)(C/N=C\c1cc(Br)ccc1O)c1ccco1 ZINC000741465564 621383645 /nfs/dbraw/zinc/38/36/45/621383645.db2.gz VRQHLIVSXIUXRM-MEFZMRIGSA-N -1 0 324.174 3.074 20 30 DGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1oc(C(F)F)cc1C ZINC000860463664 621408033 /nfs/dbraw/zinc/40/80/33/621408033.db2.gz FQVFJDRJKSWMPM-JTQLQIEISA-N -1 0 312.316 3.155 20 30 DGEDRM C[C@@]1(C#N)CCCN(Cc2cccc(Br)c2[O-])C1 ZINC000753586680 621451928 /nfs/dbraw/zinc/45/19/28/621451928.db2.gz JAZPRDZUBKWZKN-AWEZNQCLSA-N -1 0 309.207 3.280 20 30 DGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C=C2CC[C@@H](C)C2)n1 ZINC000753806331 621466384 /nfs/dbraw/zinc/46/63/84/621466384.db2.gz WKYJCQHQKFAMNS-CKRBCLJCSA-N -1 0 318.398 3.242 20 30 DGEDRM COc1cccc2c1CCC(N=Nc1ccc(C(=O)[O-])cc1)C2 ZINC000754899368 621540457 /nfs/dbraw/zinc/54/04/57/621540457.db2.gz ASLYFPKMVNSVAI-UHFFFAOYSA-N -1 0 310.353 3.350 20 30 DGEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(Cl)cc1C(C)C ZINC000861898353 621543772 /nfs/dbraw/zinc/54/37/72/621543772.db2.gz FUUZRYCZNOAQPY-UHFFFAOYSA-N -1 0 310.781 3.026 20 30 DGEDRM COc1ccc(C(=O)/C=C\c2ccccc2C#N)cc1CC(=O)[O-] ZINC000755582368 621578982 /nfs/dbraw/zinc/57/89/82/621578982.db2.gz XCJKYXFHZHFQEC-VURMDHGXSA-N -1 0 321.332 3.090 20 30 DGEDRM Cc1ccoc1C(=O)/C=C/c1cccc(OCCC(=O)[O-])c1 ZINC000119017078 621607682 /nfs/dbraw/zinc/60/76/82/621607682.db2.gz IDEXVVNMJAXZLP-AATRIKPKSA-N -1 0 300.310 3.338 20 30 DGEDRM CC(=NNCC(F)(F)C(F)(F)F)[C@@H](C)CCCCC(=O)[O-] ZINC000863183137 621645741 /nfs/dbraw/zinc/64/57/41/621645741.db2.gz MNPNBKCCFMFNGU-QMMMGPOBSA-N -1 0 318.286 3.431 20 30 DGEDRM CC(=NNc1ccccc1C(=O)[O-])c1cccc([N+](=O)[O-])c1C ZINC000756823349 621666676 /nfs/dbraw/zinc/66/66/76/621666676.db2.gz KZUQJVRHTNWWDN-UHFFFAOYSA-N -1 0 313.313 3.438 20 30 DGEDRM CCC(N=Nc1ccc(Cl)nn1)c1cc(C(=O)[O-])ccc1F ZINC000756871359 621669920 /nfs/dbraw/zinc/66/99/20/621669920.db2.gz SHRRMJFBLSXFPW-UHFFFAOYSA-N -1 0 322.727 3.194 20 30 DGEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1ccnc2ccccc12 ZINC000756899192 621670779 /nfs/dbraw/zinc/67/07/79/621670779.db2.gz SCDUCFXGZKXYCJ-UHFFFAOYSA-N -1 0 321.336 3.388 20 30 DGEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1cnc(Cl)c(C)c1 ZINC000756898842 621670910 /nfs/dbraw/zinc/67/09/10/621670910.db2.gz DHRNYFIGJDHRIK-UHFFFAOYSA-N -1 0 319.748 3.196 20 30 DGEDRM COc1cc(C(=O)[O-])ccc1N=NC(C)Cc1ccsc1 ZINC000756906212 621671955 /nfs/dbraw/zinc/67/19/55/621671955.db2.gz VAXLPMCEAIDAKW-UHFFFAOYSA-N -1 0 304.371 3.485 20 30 DGEDRM CC[C@H](C)NN=C(C)c1cc(Br)c(F)cc1[O-] ZINC000790190976 621699275 /nfs/dbraw/zinc/69/92/75/621699275.db2.gz WWJYXCLZMQSBTO-ZETCQYMHSA-N -1 0 303.175 3.406 20 30 DGEDRM COc1cc(/C=C/C(=O)c2cc(F)ccc2[O-])cc(OC)c1 ZINC000757468915 621714568 /nfs/dbraw/zinc/71/45/68/621714568.db2.gz ZNUMIALKCXXVEN-HWKANZROSA-N -1 0 302.301 3.445 20 30 DGEDRM COc1ccc(C(=O)/C=C/c2cnn(-c3ccccc3)c2)c([O-])c1 ZINC000757472646 621715297 /nfs/dbraw/zinc/71/52/97/621715297.db2.gz QQCNOCJZBNBCTG-JXMROGBWSA-N -1 0 320.348 3.483 20 30 DGEDRM COc1ccc(/C=C/C(=O)c2ccc(F)cc2[O-])c(OC)c1 ZINC000757476740 621715844 /nfs/dbraw/zinc/71/58/44/621715844.db2.gz RPIHLSGJWRYVRV-XBXARRHUSA-N -1 0 302.301 3.445 20 30 DGEDRM Cc1ccc(C(=O)/C=C\c2ccccc2-n2cncn2)c([O-])c1 ZINC000757475927 621716173 /nfs/dbraw/zinc/71/61/73/621716173.db2.gz NNVYMUJUPALQHN-CLFYSBASSA-N -1 0 305.337 3.177 20 30 DGEDRM Cc1ccc(C(=O)/C=C/c2ccc(-n3cncn3)c(C)c2)c([O-])c1 ZINC000757477088 621716205 /nfs/dbraw/zinc/71/62/05/621716205.db2.gz ZMFVTIDSKIYAPB-VMPITWQZSA-N -1 0 319.364 3.486 20 30 DGEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864152436 621744536 /nfs/dbraw/zinc/74/45/36/621744536.db2.gz GUHMXIMTRAFQKN-KRFXKNSESA-N -1 0 303.358 3.242 20 30 DGEDRM C=CCC1(CNC(=O)/C=C\c2ccc(C(=O)[O-])o2)CCCC1 ZINC000864177690 621747200 /nfs/dbraw/zinc/74/72/00/621747200.db2.gz QDPGEDHOIKCHKO-VURMDHGXSA-N -1 0 303.358 3.244 20 30 DGEDRM C=C(Cl)C[C@H](NC(=O)CCCC1CCCCC1)C(=O)[O-] ZINC000864183199 621748682 /nfs/dbraw/zinc/74/86/82/621748682.db2.gz DAAONRLZQAFNEU-ZDUSSCGKSA-N -1 0 301.814 3.449 20 30 DGEDRM C=C(C)C[C@@H](NC(=O)Cc1csc2sc(C)cc12)C(=O)[O-] ZINC000864187492 621749309 /nfs/dbraw/zinc/74/93/09/621749309.db2.gz MEHMETLJJNMYRQ-GFCCVEGCSA-N -1 0 323.439 3.349 20 30 DGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/[C@@H]2CCCn3nccc32)c1[O-] ZINC000864348828 621759295 /nfs/dbraw/zinc/75/92/95/621759295.db2.gz PZSGAMUKCHJOPV-FNQVVVRFSA-N -1 0 320.736 3.104 20 30 DGEDRM CC(C)c1ncc(C=Nn2c(=S)[n-]nc2C(F)(F)F)s1 ZINC000758367903 621777681 /nfs/dbraw/zinc/77/76/81/621777681.db2.gz RWQMLCCDIODWQP-UHFFFAOYSA-N -1 0 321.353 3.048 20 30 DGEDRM O=C([O-])Cc1ccc(C(=O)/C=C\c2ccnn2CC2CCC2)cc1 ZINC000865217328 621874115 /nfs/dbraw/zinc/87/41/15/621874115.db2.gz HQVZUKALVSTBDJ-HJWRWDBZSA-N -1 0 324.380 3.206 20 30 DGEDRM C[C@H](C[C@@H]1CCOC1)/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000759642567 621878440 /nfs/dbraw/zinc/87/84/40/621878440.db2.gz HSWOZDAXYKWTAO-MLFSZDHSSA-N -1 0 312.753 3.188 20 30 DGEDRM Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000759712654 621884917 /nfs/dbraw/zinc/88/49/17/621884917.db2.gz APWDAPJLJBDRPZ-UHFFFAOYSA-N -1 0 312.373 3.085 20 30 DGEDRM N#Cc1ccc([O-])c(NC(=O)C(F)(F)c2ccc(F)cc2)c1 ZINC000759717987 621885852 /nfs/dbraw/zinc/88/58/52/621885852.db2.gz NHHIDVIOMBBQNR-UHFFFAOYSA-N -1 0 306.243 3.133 20 30 DGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc2sccc2c1 ZINC000761048009 621982104 /nfs/dbraw/zinc/98/21/04/621982104.db2.gz LEFKIBKGJGJGDL-CQSZACIVSA-N -1 0 312.394 3.283 20 30 DGEDRM C=CCN(CC(=O)[O-])C(=O)CSc1ccc2ccccc2c1 ZINC000762022374 622046252 /nfs/dbraw/zinc/04/62/52/622046252.db2.gz OJRBSBCHMOEQRW-UHFFFAOYSA-N -1 0 315.394 3.031 20 30 DGEDRM C=CCN(CC(=O)[O-])C(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC000762024837 622046753 /nfs/dbraw/zinc/04/67/53/622046753.db2.gz SLZWUUBTMGCJEJ-DHZHZOJOSA-N -1 0 301.386 3.097 20 30 DGEDRM N#CCOc1ccc(COC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000762826155 622102204 /nfs/dbraw/zinc/10/22/04/622102204.db2.gz ZQUYDRORTXJKOG-UHFFFAOYSA-N -1 0 317.728 3.305 20 30 DGEDRM O=C([O-])c1ccc(N=NCc2cnc(C3CCCC3)s2)nc1 ZINC000763367705 622141149 /nfs/dbraw/zinc/14/11/49/622141149.db2.gz GAVMXPSWCRZQQW-UHFFFAOYSA-N -1 0 316.386 3.340 20 30 DGEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc2cc(O)ccc2c1 ZINC000763371000 622141506 /nfs/dbraw/zinc/14/15/06/622141506.db2.gz XIMODBCAGBAXAY-UHFFFAOYSA-N -1 0 321.336 3.475 20 30 DGEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)C1CCCCC1)c1ccccc1 ZINC000121172939 622156511 /nfs/dbraw/zinc/15/65/11/622156511.db2.gz NWILIVPUJUECPP-CQSZACIVSA-N -1 0 321.442 3.125 20 30 DGEDRM Cc1cc(Cl)cc(C([O-])=C(C#N)C(=O)NC2CCCC2)c1 ZINC000121829545 622184180 /nfs/dbraw/zinc/18/41/80/622184180.db2.gz HUYRSWCBYLLXOO-CQSZACIVSA-N -1 0 304.777 3.030 20 30 DGEDRM CC(C)c1nc(C#N)c(N=NC(C)c2cccc(C(=O)[O-])c2)o1 ZINC000764680528 622212665 /nfs/dbraw/zinc/21/26/65/622212665.db2.gz JMJMQGZGLUZBNA-UHFFFAOYSA-N -1 0 312.329 3.204 20 30 DGEDRM O=C([O-])c1ccc(C=NNCc2cnc3ccccc3c2)cc1 ZINC000764788098 622220726 /nfs/dbraw/zinc/22/07/26/622220726.db2.gz JJBOJAWCQGMQOB-UHFFFAOYSA-N -1 0 305.337 3.057 20 30 DGEDRM CC(N=Nc1ncnc2ccsc21)c1cccc(C(=O)[O-])c1 ZINC000764835447 622224900 /nfs/dbraw/zinc/22/49/00/622224900.db2.gz MLLZDAJVGWKTJX-UHFFFAOYSA-N -1 0 312.354 3.226 20 30 DGEDRM O=C([O-])c1ccc2c(C=NNc3ccccc3Cl)[nH]nc2c1 ZINC000765547671 622272777 /nfs/dbraw/zinc/27/27/77/622272777.db2.gz DLPQHUOOHPEOPI-UHFFFAOYSA-N -1 0 314.732 3.361 20 30 DGEDRM N#C[C@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1ccc(F)cc1 ZINC000765576109 622274639 /nfs/dbraw/zinc/27/46/39/622274639.db2.gz KWIRLIBQYCNPET-AWEZNQCLSA-N -1 0 322.261 3.438 20 30 DGEDRM O=C([O-])c1csc(/C=C\C(=O)c2ccc3c(c2)OCCO3)c1 ZINC000765824168 622289990 /nfs/dbraw/zinc/28/99/90/622289990.db2.gz KVOALQOCTUATQZ-IHWYPQMZSA-N -1 0 316.334 3.114 20 30 DGEDRM O=C([O-])c1ccc(N=NC2CCC(C(F)(F)F)CC2)nc1 ZINC000766024162 622301182 /nfs/dbraw/zinc/30/11/82/622301182.db2.gz ASSCNBMZKDHZBO-UHFFFAOYSA-N -1 0 301.268 3.300 20 30 DGEDRM Cc1cc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)ccc1C#N ZINC000766491899 622333926 /nfs/dbraw/zinc/33/39/26/622333926.db2.gz QQWBREXCEAHENZ-WEVVVXLNSA-N -1 0 305.333 3.390 20 30 DGEDRM COc1cc(C#N)ccc1OCc1cc(C(=O)[O-])sc1C ZINC000122669011 622377716 /nfs/dbraw/zinc/37/77/16/622377716.db2.gz RTLZBXZVQQMZPN-UHFFFAOYSA-N -1 0 303.339 3.214 20 30 DGEDRM CCON=Cc1cc(Br)c([O-])c(Br)c1 ZINC000767462970 622400982 /nfs/dbraw/zinc/40/09/82/622400982.db2.gz KWYADBRKSRSLCR-UHFFFAOYSA-N -1 0 322.984 3.288 20 30 DGEDRM CC(Cc1ccncc1)N=Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000767741964 622419799 /nfs/dbraw/zinc/41/97/99/622419799.db2.gz DEVKJDBMJKPLPB-UHFFFAOYSA-N -1 0 303.749 3.464 20 30 DGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCCC1CCCCC1 ZINC000122890196 622426703 /nfs/dbraw/zinc/42/67/03/622426703.db2.gz IJVJPUPIMZVEAW-AWEZNQCLSA-N -1 0 301.390 3.062 20 30 DGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cccc2ccsc21 ZINC000767956438 622430564 /nfs/dbraw/zinc/43/05/64/622430564.db2.gz OZTZMVXAXDEHML-CQSZACIVSA-N -1 0 312.394 3.283 20 30 DGEDRM C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C)c1Cl ZINC000768011223 622433911 /nfs/dbraw/zinc/43/39/11/622433911.db2.gz PIHRGEQLMPNVMG-NSHDSACASA-N -1 0 315.822 3.056 20 30 DGEDRM Cc1cc(C(C#N)=C([O-])c2nc(C(C)(C)C)cs2)nc(C)n1 ZINC000870137318 622437042 /nfs/dbraw/zinc/43/70/42/622437042.db2.gz YKGXJJWDHDJQMO-LLVKDONJSA-N -1 0 314.414 3.338 20 30 DGEDRM Cc1conc1C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000870455208 622469918 /nfs/dbraw/zinc/46/99/18/622469918.db2.gz WBSCKUFDMLPHKS-LLVKDONJSA-N -1 0 314.366 3.129 20 30 DGEDRM COc1cccc2cc(C=C(C)c3nc(C)c(C#N)c(=O)[n-]3)oc21 ZINC000789829773 625569242 /nfs/dbraw/zinc/56/92/42/625569242.db2.gz UZPSPHOULTWTDL-YFHOEESVSA-N -1 0 321.336 3.265 20 30 DGEDRM CC(C)c1nc(C(C)N=Nc2ccc(C(=O)[O-])cn2)cs1 ZINC000768783309 622476857 /nfs/dbraw/zinc/47/68/57/622476857.db2.gz 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301.314 3.361 20 30 DGEDRM C=C[C@H](C(=O)N1CCc2cccc(C(=O)[O-])c2C1)c1ccccc1 ZINC001588661499 983786748 /nfs/dbraw/zinc/78/67/48/983786748.db2.gz KRZKWGFBEMITME-INIZCTEOSA-N -1 0 321.376 3.239 20 30 DGEDRM C=C[C@H](C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)c1ccccc1 ZINC001588664060 983798177 /nfs/dbraw/zinc/79/81/77/983798177.db2.gz NHUZQDCIPWGBLP-ZDUSSCGKSA-N -1 0 321.336 3.169 20 30 DGEDRM C=C[C@](C)(CCOC)C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001588683434 983848706 /nfs/dbraw/zinc/84/87/06/983848706.db2.gz ZXESNPDKECAOCK-OAHLLOKOSA-N -1 0 312.749 3.172 20 30 DGEDRM C=C[C@H](CC)CC(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001588691301 983880112 /nfs/dbraw/zinc/88/01/12/983880112.db2.gz XDBVLVPAISNZRS-SJKOYZFVSA-N -1 0 323.820 3.444 20 30 DGEDRM C=C[C@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)[O-] ZINC001588715474 983955617 /nfs/dbraw/zinc/95/56/17/983955617.db2.gz XWQRXCGHGDPBER-VIFPVBQESA-N -1 0 310.425 3.395 20 30 DGEDRM C=CC[C@H](C(=O)NCc1ccccc1CC(=O)[O-])c1ccccc1 ZINC001588721552 983972419 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C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1cc(C)c(C(=O)[O-])o1 ZINC001588770711 984135709 /nfs/dbraw/zinc/13/57/09/984135709.db2.gz DROIQVZEJYYVTF-OCCSQVGLSA-N -1 0 320.389 3.220 20 30 DGEDRM C=CC[C@@H]1CCN1[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC001588772454 984142909 /nfs/dbraw/zinc/14/29/09/984142909.db2.gz FZWCYSRXSGBYSM-CHWSQXEVSA-N -1 0 310.191 3.225 20 30 DGEDRM C=CC[C@@H]1CCN(C(=O)Nc2cccc(CCC(=O)[O-])c2)C1 ZINC001588773010 984146293 /nfs/dbraw/zinc/14/62/93/984146293.db2.gz ULNOBOAPLSEYHX-CQSZACIVSA-N -1 0 302.374 3.134 20 30 DGEDRM C=CC[C@H]1CCN1C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001588773227 984147074 /nfs/dbraw/zinc/14/70/74/984147074.db2.gz XRMORGHENFRWNJ-VIFPVBQESA-N -1 0 312.728 3.360 20 30 DGEDRM C=CCC[C@@H](C(=O)N1CCC[C@H]1CC(=O)[O-])c1ccccc1 ZINC001588776927 984154062 /nfs/dbraw/zinc/15/40/62/984154062.db2.gz NCYXAKANOSPQMN-JKSUJKDBSA-N -1 0 301.386 3.202 20 30 DGEDRM C=CCC[C@@H]1CCCN1C(=O)Nc1cc(OC)ccc1C(=O)[O-] ZINC001588782474 984172208 /nfs/dbraw/zinc/17/22/08/984172208.db2.gz 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ZINC001588802380 984248814 /nfs/dbraw/zinc/24/88/14/984248814.db2.gz IVVISNLBTKBYFC-UONOGXRCSA-N -1 0 320.437 3.059 20 30 DGEDRM C=CCCO[C@@H](C)C(=O)Nc1c(C)cc(Cl)cc1C(=O)[O-] ZINC001588808469 984261753 /nfs/dbraw/zinc/26/17/53/984261753.db2.gz AYSXZOCRQBSNDB-JTQLQIEISA-N -1 0 311.765 3.266 20 30 DGEDRM C=CCCO[C@@H](C)C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC001588808669 984262951 /nfs/dbraw/zinc/26/29/51/984262951.db2.gz JODVJULKDKFYOI-LBPRGKRZSA-N -1 0 305.374 3.428 20 30 DGEDRM C=CCCO[C@H](C)C(=O)Nc1ccc(OC(C)C)cc1C(=O)[O-] ZINC001588809074 984265388 /nfs/dbraw/zinc/26/53/88/984265388.db2.gz YSCOUYBCKLXKCR-GFCCVEGCSA-N -1 0 321.373 3.092 20 30 DGEDRM C=CCCSCCNC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001588814616 984271311 /nfs/dbraw/zinc/27/13/11/984271311.db2.gz IIKLJRKJWMBWEH-UHFFFAOYSA-N -1 0 308.403 3.124 20 30 DGEDRM C=CCCSCCNC(=O)Nc1cccc(C(=O)[O-])c1C ZINC001588814894 984273889 /nfs/dbraw/zinc/27/38/89/984273889.db2.gz XMRYUDMVPMQXJB-UHFFFAOYSA-N -1 0 308.403 3.124 20 30 DGEDRM C=CCN1C(=O)N[C@@H](c2ccc(Cl)c(F)c2)C(C(=O)[O-])=C1C ZINC001588832395 984322395 /nfs/dbraw/zinc/32/23/95/984322395.db2.gz LXADHJWDZVJLDD-ZDUSSCGKSA-N -1 0 324.739 3.090 20 30 DGEDRM C=CCN(Cc1ccccc1)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001588832723 984325294 /nfs/dbraw/zinc/32/52/94/984325294.db2.gz NOWMNPLINCKNFC-LUAWRHEFSA-N -1 0 311.337 3.206 20 30 DGEDRM C=CCN(Cc1cc(C(=O)[O-])c(CC)[nH]1)Cc1cccc(C#N)c1 ZINC001588832855 984326831 /nfs/dbraw/zinc/32/68/31/984326831.db2.gz UBFPCAFRNAZOBL-UHFFFAOYSA-N -1 0 323.396 3.335 20 30 DGEDRM C=CCOc1cccc(NC(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC001588872849 984442630 /nfs/dbraw/zinc/44/26/30/984442630.db2.gz NMHJPGICHDHGSM-UHFFFAOYSA-N -1 0 311.337 3.131 20 30 DGEDRM C=CCOc1cccc(NC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c1 ZINC001588872980 984443650 /nfs/dbraw/zinc/44/36/50/984443650.db2.gz WXAVHTNBDCQVDT-AWEZNQCLSA-N -1 0 320.389 3.262 20 30 DGEDRM C=CCn1c(Cc2ccccc2)nnc1S[C@@H](CC)C(=O)[O-] ZINC001588904254 984528202 /nfs/dbraw/zinc/52/82/02/984528202.db2.gz 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CCc1cccc(C(=O)[O-])c1NC(=O)c1cc(C#N)ccc1F ZINC001597572739 988355732 /nfs/dbraw/zinc/35/57/32/988355732.db2.gz MPDBKDBVWAXFDY-UHFFFAOYSA-N -1 0 312.300 3.210 20 30 DGEDRM CCc1oc(C(=O)[O-])cc1COC(=O)c1cccc(C#N)c1C ZINC001597772539 989240025 /nfs/dbraw/zinc/24/00/25/989240025.db2.gz XGFLGLMAKABUJE-UHFFFAOYSA-N -1 0 313.309 3.077 20 30 DGEDRM CC(C)(C)Oc1ccc(NC2CC(CC(=O)[O-])C2)cc1C#N ZINC001590408482 989941699 /nfs/dbraw/zinc/94/16/99/989941699.db2.gz KEAAOYDYLORKDE-UHFFFAOYSA-N -1 0 302.374 3.401 20 30 DGEDRM CC(C)(C)c1ccc(C#N)c(N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)n1 ZINC001590472406 990044408 /nfs/dbraw/zinc/04/44/08/990044408.db2.gz PIAISXIZDWMNIG-RQJABVFESA-N -1 0 313.401 3.162 20 30 DGEDRM CN(C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)[C@@H]1CCC[C@H]1C#N ZINC001598056417 990315568 /nfs/dbraw/zinc/31/55/68/990315568.db2.gz KBLVVGNVDROQTM-TVQRCGJNSA-N -1 0 321.764 3.194 20 30 DGEDRM CC(C)CN(C(=O)C[C@H](C)CC(=O)[O-])c1ccc(C#N)cc1 ZINC001591281349 992214180 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C[C@]1(C(=O)[O-])CCCN(c2c(Br)cccc2C#N)C1 ZINC001593778276 996486567 /nfs/dbraw/zinc/48/65/67/996486567.db2.gz FTJHXBZRHHSDGC-AWEZNQCLSA-N -1 0 323.190 3.012 20 30 DGEDRM C[C@@]1(C(=O)[O-])CCN(c2cc(C(F)(F)F)c(F)cc2C#N)C1 ZINC001593797764 996516957 /nfs/dbraw/zinc/51/69/57/996516957.db2.gz BPDYRLQUAJTABO-CYBMUJFWSA-N -1 0 316.254 3.017 20 30 DGEDRM CC1(C)CCC[C@](NC(=O)CC2(C#N)CCCCC2)(C(=O)[O-])C1 ZINC001593892942 996744393 /nfs/dbraw/zinc/74/43/93/996744393.db2.gz YPHJJMQOOCPOPD-GOSISDBHSA-N -1 0 320.433 3.390 20 30 DGEDRM CC1(C)CN([C@H](C(=O)[O-])c2cccc(C#N)c2)[C@@H]1c1ccncc1 ZINC001593941219 996960159 /nfs/dbraw/zinc/96/01/59/996960159.db2.gz ZSTIBJWBABYDBR-DLBZAZTESA-N -1 0 321.380 3.162 20 30 DGEDRM COc1cc(C)c(C(=O)/C=C/c2cc(C(=O)[O-])co2)cc1OC ZINC001599389685 997009942 /nfs/dbraw/zinc/00/99/42/997009942.db2.gz HWXFSJIVWJWSHY-SNAWJCMRSA-N -1 0 316.309 3.200 20 30 DGEDRM COc1cc(C)c(C(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1C ZINC001599389957 997015066 /nfs/dbraw/zinc/01/50/66/997015066.db2.gz 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ZINC001588509502 983553266 /nfs/dbraw/zinc/55/32/66/983553266.db2.gz IUZBMGCTSYHLGD-UHFFFAOYSA-N -1 0 316.334 3.060 20 30 DGEDRM C#Cc1ccc(CNc2cc(C(F)(F)F)c(C(=O)[O-])cn2)cc1 ZINC001588517131 983563520 /nfs/dbraw/zinc/56/35/20/983563520.db2.gz NGMACQLXCHLZRX-UHFFFAOYSA-N -1 0 320.270 3.392 20 30 DGEDRM C#Cc1cccc(N(C)C(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC001588522191 983569872 /nfs/dbraw/zinc/56/98/72/983569872.db2.gz HMKCZNQIQRKVQV-UHFFFAOYSA-N -1 0 322.364 3.353 20 30 DGEDRM C=C(C)C[C@H](NC(=O)Cc1ccc(CCCC)cc1)C(=O)[O-] ZINC001588543171 983610940 /nfs/dbraw/zinc/61/09/40/983610940.db2.gz XYMQYICJXKNKPS-INIZCTEOSA-N -1 0 303.402 3.107 20 30 DGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(Oc2ccccc2)o1)C(=O)[O-] ZINC001588546827 983617134 /nfs/dbraw/zinc/61/71/34/983617134.db2.gz QNYAFSCUWQWNDM-CYBMUJFWSA-N -1 0 315.325 3.221 20 30 DGEDRM C=C(C)C[C@@H](NCc1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC001588553217 983627761 /nfs/dbraw/zinc/62/77/61/983627761.db2.gz JKDSNXHSLSEIIT-CYBMUJFWSA-N -1 0 302.399 3.319 20 30 DGEDRM C=C(C)C[C@H](Nc1nc(C(F)F)nc2ccccc21)C(=O)[O-] ZINC001588554709 983631954 /nfs/dbraw/zinc/63/19/54/983631954.db2.gz PAZHJDXWXWVCDW-NSHDSACASA-N -1 0 307.300 3.399 20 30 DGEDRM C=C(C)CN(CC)C(=O)[C@H](C)Oc1cc(C(=O)[O-])cc(F)c1C ZINC001588563306 983645120 /nfs/dbraw/zinc/64/51/20/983645120.db2.gz RCENDWXDLCJZPA-LBPRGKRZSA-N -1 0 323.364 3.024 20 30 DGEDRM C=C(C)CN(CC)C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC001588563478 983645565 /nfs/dbraw/zinc/64/55/65/983645565.db2.gz WMOZXHIRYSBRNV-NSHDSACASA-N -1 0 324.352 3.108 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)N(Cc1cccc(C)c1)CC(C)C ZINC001588612140 983701882 /nfs/dbraw/zinc/70/18/82/983701882.db2.gz JLRATUWWIYJYGG-UHFFFAOYSA-N -1 0 303.402 3.401 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)N1CC(C)(C)c2cc(Cl)ccc21 ZINC001588612499 983703022 /nfs/dbraw/zinc/70/30/22/983703022.db2.gz QUMUWTXFNJXNPU-UHFFFAOYSA-N -1 0 307.777 3.385 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C)c1ccc(SCC)cc1 ZINC001588621580 983720115 /nfs/dbraw/zinc/72/01/15/983720115.db2.gz 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C=CC(C)(C)CC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC001588672505 983825371 /nfs/dbraw/zinc/82/53/71/983825371.db2.gz UGLLBLNRQYLMDB-UHFFFAOYSA-N -1 0 309.793 3.356 20 30 DGEDRM C=CC(C)(C)CC(=O)Nc1cccnc1SCCC(=O)[O-] ZINC001588673454 983831021 /nfs/dbraw/zinc/83/10/21/983831021.db2.gz YTGSYYCPRLNQMY-UHFFFAOYSA-N -1 0 308.403 3.189 20 30 DGEDRM C=C[C@](C)(CC)C(=O)O[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001588683001 983846914 /nfs/dbraw/zinc/84/69/14/983846914.db2.gz STFTZSZRQHMCFP-PIGZYNQJSA-N -1 0 321.373 3.046 20 30 DGEDRM C=C[C@H](CC(=O)O[C@@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)c1ccccc1 ZINC001588690864 983877775 /nfs/dbraw/zinc/87/77/75/983877775.db2.gz NBOBGKVATFWRQL-LMHBHQSJSA-N -1 0 314.381 3.389 20 30 DGEDRM C=C[C@@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)[O-] ZINC001588715469 983955666 /nfs/dbraw/zinc/95/56/66/983955666.db2.gz XWQRXCGHGDPBER-SECBINFHSA-N -1 0 310.425 3.395 20 30 DGEDRM C=CC1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2CC)CC1 ZINC001588719901 983963477 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C=CCC1(NC(=O)Nc2ccc(C(=O)[O-])c(OC)c2)CCCC1 ZINC001588767124 984128375 /nfs/dbraw/zinc/12/83/75/984128375.db2.gz KKJGFYODQXFZPJ-UHFFFAOYSA-N -1 0 318.373 3.404 20 30 DGEDRM C=CCC1(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)CCOCC1 ZINC001588767295 984129533 /nfs/dbraw/zinc/12/95/33/984129533.db2.gz SMKKYQPVZVWSLP-ZDUSSCGKSA-N -1 0 318.369 3.362 20 30 DGEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001588770548 984134625 /nfs/dbraw/zinc/13/46/25/984134625.db2.gz ARZSTLOUDAELNO-CVEARBPZSA-N -1 0 322.449 3.408 20 30 DGEDRM C=CC[C@H]1CCN1[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001588772457 984143031 /nfs/dbraw/zinc/14/30/31/984143031.db2.gz FZWCYSRXSGBYSM-STQMWFEESA-N -1 0 310.191 3.225 20 30 DGEDRM C=CC[C@@H]1N(C(=O)NCC(C)(C)CC(=O)[O-])CCCC1(C)C ZINC001588772858 984145298 /nfs/dbraw/zinc/14/52/98/984145298.db2.gz ONHQMGDIEMQPNM-ZDUSSCGKSA-N -1 0 310.438 3.264 20 30 DGEDRM C=CCC[C@@H]1CCCN1C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001588782140 984170360 /nfs/dbraw/zinc/17/03/60/984170360.db2.gz 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/nfs/dbraw/zinc/09/76/07/400097607.db2.gz VZZZUYSLFXFNOH-UHFFFAOYSA-N -1 0 312.394 3.238 20 30 DGEDRM C=C[C@H](CC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1 ZINC000581784479 400083420 /nfs/dbraw/zinc/08/34/20/400083420.db2.gz HNYRJPMYWDGTTD-MRXNPFEDSA-N -1 0 315.413 3.450 20 30 DGEDRM N#CC1(CC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CCCCC1 ZINC000600675998 400126973 /nfs/dbraw/zinc/12/69/73/400126973.db2.gz QYIDOFLLPZOGQY-UHFFFAOYSA-N -1 0 324.384 3.381 20 30 DGEDRM Cc1c(C#N)cccc1NC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000610896976 400321964 /nfs/dbraw/zinc/32/19/64/400321964.db2.gz MKIHWFZXKKWJDK-HNNXBMFYSA-N -1 0 308.337 3.064 20 30 DGEDRM N#CCc1cccc(S(=O)(=O)[N-]c2ccc3ccccc3n2)c1 ZINC000589586359 400306762 /nfs/dbraw/zinc/30/67/62/400306762.db2.gz FBYILVBOGRXUGL-UHFFFAOYSA-N -1 0 323.377 3.102 20 30 DGEDRM Cc1[n-]n(-c2ccc(Br)cc2C)c(=O)c1CCC#N ZINC000601937174 400380442 /nfs/dbraw/zinc/38/04/42/400380442.db2.gz CFZKFBHHEDCQSG-GFCCVEGCSA-N -1 0 320.190 3.400 20 30 DGEDRM N#Cc1ccc(-n2[n-]c3c(c2=O)CCCC3)cc1C(F)(F)F ZINC000601938689 400380938 /nfs/dbraw/zinc/38/09/38/400380938.db2.gz IHLXCNYJJLOVFW-NSHDSACASA-N -1 0 307.275 3.470 20 30 DGEDRM C[C@H]1CCc2c1[n-]n(-c1ccc(C#N)c(C(F)(F)F)c1)c2=O ZINC000601938791 400381156 /nfs/dbraw/zinc/38/11/56/400381156.db2.gz JMPWEKCLBIVFSL-KWQFWETISA-N -1 0 307.275 3.326 20 30 DGEDRM C[C@@H](CC(=O)[O-])CC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000601991490 400394910 /nfs/dbraw/zinc/39/49/10/400394910.db2.gz ITIUZUCCDPDNJG-HIFRSBDPSA-N -1 0 302.374 3.039 20 30 DGEDRM Cc1csc(NC(=O)[C@@](C)(CC(=O)[O-])CC(C)C)c1C#N ZINC000601980845 400391632 /nfs/dbraw/zinc/39/16/32/400391632.db2.gz AOXWEXBKXLEXHW-OAHLLOKOSA-N -1 0 308.403 3.394 20 30 DGEDRM CSc1[n-]c(=O)c(C(=O)N(C)[C@H]2CCCC[C@@H]2C)cc1C#N ZINC000031909782 400356945 /nfs/dbraw/zinc/35/69/45/400356945.db2.gz RCLIKDQLMNEGGD-GWCFXTLKSA-N -1 0 319.430 3.031 20 30 DGEDRM CSc1[n-]c(=O)c(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)cc1C#N ZINC000031909778 400356967 /nfs/dbraw/zinc/35/69/67/400356967.db2.gz RCLIKDQLMNEGGD-GXFFZTMASA-N -1 0 319.430 3.031 20 30 DGEDRM Cc1ccc(C)c(C(=O)NCC(C)(C)CCC#N)c1C(=O)[O-] ZINC000601983658 400393117 /nfs/dbraw/zinc/39/31/17/400393117.db2.gz RHZWUGPWGVYISE-UHFFFAOYSA-N -1 0 302.374 3.061 20 30 DGEDRM N#Cc1cc(C(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)ccc1F ZINC000590563772 400395895 /nfs/dbraw/zinc/39/58/95/400395895.db2.gz SUNSKGQSZFVLHY-UHFFFAOYSA-N -1 0 322.299 3.045 20 30 DGEDRM C=CCN(C(=O)c1cccc(C(F)(F)F)c1[O-])[C@H](C)COC ZINC000617584450 400419246 /nfs/dbraw/zinc/41/92/46/400419246.db2.gz CFPYHDZEJHWNCU-SNVBAGLBSA-N -1 0 317.307 3.074 20 30 DGEDRM N#Cc1cnccc1CN1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000592396142 400644742 /nfs/dbraw/zinc/64/47/42/400644742.db2.gz HXZBODXYNMSNND-UHFFFAOYSA-N -1 0 321.380 3.031 20 30 DGEDRM O=C(C=CC1CC1)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000076760259 400670501 /nfs/dbraw/zinc/67/05/01/400670501.db2.gz QATDHNNZTNIVDR-VOTSOKGWSA-N -1 0 319.304 3.317 20 30 DGEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000597865509 400683011 /nfs/dbraw/zinc/68/30/11/400683011.db2.gz UGQNSVMBYNSBKR-AAEUAGOBSA-N -1 0 304.346 3.165 20 30 DGEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000597864961 400683211 /nfs/dbraw/zinc/68/32/11/400683211.db2.gz QHRVTEXSYRDOMZ-AAEUAGOBSA-N -1 0 304.346 3.165 20 30 DGEDRM Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1CCC#N ZINC000603921587 400733089 /nfs/dbraw/zinc/73/30/89/400733089.db2.gz XWJGFCUYIZOXMH-LBPRGKRZSA-N -1 0 306.163 3.092 20 30 DGEDRM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc([O-])c(Cl)c1 ZINC000618893237 400711505 /nfs/dbraw/zinc/71/15/05/400711505.db2.gz ZDWRTLCMQMOQFB-HNNXBMFYSA-N -1 0 312.756 3.335 20 30 DGEDRM Cc1ccc(-c2nc(NC(=O)CC3(C#N)CCCCC3)n[nH]2)o1 ZINC000598689661 400857625 /nfs/dbraw/zinc/85/76/25/400857625.db2.gz LKYGQJGLJLBTHM-UHFFFAOYSA-N -1 0 313.361 3.176 20 30 DGEDRM Cc1nc(C)c(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)o1 ZINC000183542184 400900958 /nfs/dbraw/zinc/90/09/58/400900958.db2.gz ISLBALZJGXYVDT-LBPRGKRZSA-N -1 0 324.365 3.300 20 30 DGEDRM N#Cc1ccc(CNC(=O)c2cc(F)c([O-])c(F)c2)cc1Cl ZINC000619780909 400906052 /nfs/dbraw/zinc/90/60/52/400906052.db2.gz JSJMRYKNNOJLAV-UHFFFAOYSA-N -1 0 322.698 3.125 20 30 DGEDRM CC(C)c1csc(C(C#N)=C([O-])c2cnn(C)c2C(F)F)n1 ZINC000080458499 400953095 /nfs/dbraw/zinc/95/30/95/400953095.db2.gz KCZIXMVTOSSCSP-MRVPVSSYSA-N -1 0 324.356 3.428 20 30 DGEDRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000057123433 400972579 /nfs/dbraw/zinc/97/25/79/400972579.db2.gz CPUZEYBZJNJRPD-UHFFFAOYSA-N -1 0 322.773 3.021 20 30 DGEDRM N#Cc1c[n-]n2c1nc(CSCC1CCCCC1)cc2=O ZINC000058486475 401055672 /nfs/dbraw/zinc/05/56/72/401055672.db2.gz SSBROUMOVBIQOP-UHFFFAOYSA-N -1 0 302.403 3.120 20 30 DGEDRM CCn1cc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C2CC2)n1 ZINC000633900234 401141133 /nfs/dbraw/zinc/14/11/33/401141133.db2.gz NBEYILULLUEEEM-LBPRGKRZSA-N -1 0 320.352 3.412 20 30 DGEDRM CSc1[n-]c(=O)c(C(=O)NCC(C)(C)CC(C)C)cc1C#N ZINC000081818343 401096780 /nfs/dbraw/zinc/09/67/80/401096780.db2.gz JWFMAIYGMMKLPA-UHFFFAOYSA-N -1 0 321.446 3.183 20 30 DGEDRM CCn1ncc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1C ZINC000634012945 401178739 /nfs/dbraw/zinc/17/87/39/401178739.db2.gz SVCZSZOCOAYXNM-NSHDSACASA-N -1 0 300.387 3.035 20 30 DGEDRM C=CCS(=O)(=O)[N-]C(=O)C=Cc1ccc(C(F)(F)F)cc1 ZINC000089287036 401216136 /nfs/dbraw/zinc/21/61/36/401216136.db2.gz XQYNGPVWGZUYCP-VMPITWQZSA-N -1 0 319.304 3.191 20 30 DGEDRM C=C(C)C[C@H](NC(=O)N[C@H](C)c1cc2ccccc2o1)C(=O)[O-] ZINC000630469541 401275150 /nfs/dbraw/zinc/27/51/50/401275150.db2.gz XMHNEXBLKLDRMJ-YPMHNXCESA-N -1 0 316.357 3.212 20 30 DGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(-c2ccc(C)o2)s1)C(=O)[O-] ZINC000630320416 401244771 /nfs/dbraw/zinc/24/47/71/401244771.db2.gz WDPAILUFVFNXCQ-LLVKDONJSA-N -1 0 319.382 3.466 20 30 DGEDRM C=C(C)C[C@H](NC(=O)c1cccc(C2CCCC2)c1)C(=O)[O-] ZINC000630322232 401245887 /nfs/dbraw/zinc/24/58/87/401245887.db2.gz RELLGLFTXIJQGB-INIZCTEOSA-N -1 0 301.386 3.493 20 30 DGEDRM C=CCC[C@H](NC(=O)[C@H]1CCC[C@H]1C(=O)[O-])c1ccccc1 ZINC000634825924 401354982 /nfs/dbraw/zinc/35/49/82/401354982.db2.gz IRQCLKPJCTWZFN-XHSDSOJGSA-N -1 0 301.386 3.311 20 30 DGEDRM N#Cc1ccc(C(=O)Nc2cccc(-n3cccc3)c2)cc1[O-] ZINC000190093136 165189067 /nfs/dbraw/zinc/18/90/67/165189067.db2.gz FIQHIRVPFKHDJB-UHFFFAOYSA-N -1 0 303.321 3.307 20 30 DGEDRM N#CC(=C([O-])c1csc(C2CC2)n1)c1cnc2ccccc2n1 ZINC000190889825 432198121 /nfs/dbraw/zinc/19/81/21/432198121.db2.gz JJEFQWTVXWLMLG-LLVKDONJSA-N -1 0 320.377 3.454 20 30 DGEDRM CN(C)c1ccc(Cl)cc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000191036425 432213907 /nfs/dbraw/zinc/21/39/07/432213907.db2.gz HSTNYLRVMBOWAU-UHFFFAOYSA-N -1 0 315.760 3.236 20 30 DGEDRM Cc1[nH]c2ccccc2c1C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000058078687 226805778 /nfs/dbraw/zinc/80/57/78/226805778.db2.gz XNTXRPXLOYHNLO-UHFFFAOYSA-N -1 0 320.414 3.443 20 30 DGEDRM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000160761197 228248216 /nfs/dbraw/zinc/24/82/16/228248216.db2.gz GLGMMNYABNFRPG-UHFFFAOYSA-N -1 0 324.764 3.460 20 30 DGEDRM Cc1ccccc1CNC(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000330792834 229004792 /nfs/dbraw/zinc/00/47/92/229004792.db2.gz DREXMLRVJNYECG-UHFFFAOYSA-N -1 0 304.419 3.092 20 30 DGEDRM N#CCc1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000340727370 229091917 /nfs/dbraw/zinc/09/19/17/229091917.db2.gz SXWAIGVILCARGU-UHFFFAOYSA-N -1 0 324.764 3.346 20 30 DGEDRM N#CCC[C@H](N=c1nc(C(F)(F)F)[n-]s1)c1ccccc1 ZINC000342803020 229119455 /nfs/dbraw/zinc/11/94/55/229119455.db2.gz SYXCVRCTQMFPOM-JTQLQIEISA-N -1 0 312.320 3.436 20 30 DGEDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2CC#N)sc1C ZINC000337845657 229054356 /nfs/dbraw/zinc/05/43/56/229054356.db2.gz HQGNCJCSLPWLMA-UHFFFAOYSA-N -1 0 306.412 3.232 20 30 DGEDRM Cc1ncoc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000349287944 229210246 /nfs/dbraw/zinc/21/02/46/229210246.db2.gz VMXTVRHIWIEPDO-SECBINFHSA-N -1 0 316.267 3.218 20 30 DGEDRM Cc1csc(C(C#N)=C([O-])c2ccnc(OC(C)C)c2)n1 ZINC000347847816 229193534 /nfs/dbraw/zinc/19/35/34/229193534.db2.gz OUVGZZOREGAHSK-LBPRGKRZSA-N -1 0 301.371 3.124 20 30 DGEDRM N#CC(=C([O-])c1occ2c1CCC2)c1cnc2ccccc2n1 ZINC000354181940 229291180 /nfs/dbraw/zinc/29/11/80/229291180.db2.gz VPRXDJBUIXJIBO-CYBMUJFWSA-N -1 0 303.321 3.202 20 30 DGEDRM N#CC(=C([O-])c1csc(-c2ccc(F)cc2)n1)c1ccncn1 ZINC000354473658 229294903 /nfs/dbraw/zinc/29/49/03/229294903.db2.gz VWAOGDHSRQAQII-GFCCVEGCSA-N -1 0 324.340 3.229 20 30 DGEDRM Cc1csc(C(C#N)=C([O-])c2cc3cc(Cl)ccn3n2)n1 ZINC000355113734 229304417 /nfs/dbraw/zinc/30/44/17/229304417.db2.gz CLHGCIODBODAKE-NSHDSACASA-N -1 0 316.773 3.243 20 30 DGEDRM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc2cccnc21 ZINC000355843603 229318807 /nfs/dbraw/zinc/31/88/07/229318807.db2.gz MKPKVHOJQMKZIT-UHFFFAOYSA-N -1 0 323.377 3.102 20 30 DGEDRM Cc1cccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)c1C#N ZINC000317703753 263896731 /nfs/dbraw/zinc/89/67/31/263896731.db2.gz HMXHLPMYUHULRT-UHFFFAOYSA-N -1 0 318.373 3.423 20 30 DGEDRM C=C(C)CN(C)C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000183042838 432251370 /nfs/dbraw/zinc/25/13/70/432251370.db2.gz WNABTPNVVHVYSU-UHFFFAOYSA-N -1 0 313.401 3.349 20 30 DGEDRM CC(C)C[C@H]1OCCC[C@@H]1/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000186848458 279230206 /nfs/dbraw/zinc/23/02/06/279230206.db2.gz WBMJTDMOZOKBPJ-CLZWMRPSSA-N -1 0 306.362 3.313 20 30 DGEDRM Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)c1 ZINC000070269174 431246096 /nfs/dbraw/zinc/24/60/96/431246096.db2.gz SFXMKXSBHHMADT-UHFFFAOYSA-N -1 0 306.774 3.321 20 30 DGEDRM Cc1ccc(C)c(CC(=O)[N-]S(=O)(=O)C2CCCCC2)c1 ZINC000076607732 431558895 /nfs/dbraw/zinc/55/88/95/431558895.db2.gz XDVKFCXMRJYREP-UHFFFAOYSA-N -1 0 309.431 3.465 20 30 DGEDRM Cc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000119521434 431702101 /nfs/dbraw/zinc/70/21/01/431702101.db2.gz CNSMAFNYCUVANL-CYBMUJFWSA-N -1 0 320.308 3.270 20 30 DGEDRM O=C(C[C@H]1CCCCO1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000088799801 431859679 /nfs/dbraw/zinc/85/96/79/431859679.db2.gz 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C=CC[C@H](CC)NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000343770707 527162567 /nfs/dbraw/zinc/16/25/67/527162567.db2.gz UCBJVYJXNVFVQJ-LBPRGKRZSA-N -1 0 319.792 3.316 20 30 DGEDRM C=CCCOCCCCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000342985406 527336852 /nfs/dbraw/zinc/33/68/52/527336852.db2.gz VQTUVIMJBZZFLZ-UHFFFAOYSA-N -1 0 308.334 3.002 20 30 DGEDRM C=CCCS(=O)(=O)[N-][C@@H](c1cccc(C)c1)C(F)(F)F ZINC000358527214 527416713 /nfs/dbraw/zinc/41/67/13/527416713.db2.gz YPNQMGHFRCIZNX-LBPRGKRZSA-N -1 0 307.337 3.094 20 30 DGEDRM C=CCCS(=O)(=O)[N-]c1nn([C@H](C)c2ccccc2)cc1C ZINC000349314659 527420662 /nfs/dbraw/zinc/42/06/62/527420662.db2.gz RNQLHJNHNSAGOB-CQSZACIVSA-N -1 0 319.430 3.119 20 30 DGEDRM C=CCC[C@H](NC(=O)[C@H](C)CCCc1ccccc1)C(=O)[O-] ZINC000262986562 527480621 /nfs/dbraw/zinc/48/06/21/527480621.db2.gz UVRUXYPWUKDMOG-ZBFHGGJFSA-N -1 0 303.402 3.181 20 30 DGEDRM C=CCN(CC1CCCCC1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000180007807 527596963 /nfs/dbraw/zinc/59/69/63/527596963.db2.gz HZCKRNRUGORVHV-CVEARBPZSA-N -1 0 307.434 3.472 20 30 DGEDRM C=CCN(CC1CCCCC1)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262708313 527597158 /nfs/dbraw/zinc/59/71/58/527597158.db2.gz KKYGTTZVPHUBPU-WKILWMFISA-N -1 0 307.434 3.472 20 30 DGEDRM C=C[C@](C)(CCOC)C(=O)Nc1cc(C(=O)CC)ccc1[O-] ZINC000436833858 527622405 /nfs/dbraw/zinc/62/24/05/527622405.db2.gz NECFIUBJXHNPGB-QGZVFWFLSA-N -1 0 305.374 3.152 20 30 DGEDRM CC(C)Oc1cc(F)ccc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442811570 528114751 /nfs/dbraw/zinc/11/47/51/528114751.db2.gz OWIDUVMGLIQFFW-UHFFFAOYSA-N -1 0 314.316 3.442 20 30 DGEDRM CCC(=O)c1ccc([O-])c(NC(=O)CCc2ccc(C#N)cc2)c1 ZINC000436651431 528461475 /nfs/dbraw/zinc/46/14/75/528461475.db2.gz VUMKOBSYBKMACV-UHFFFAOYSA-N -1 0 322.364 3.428 20 30 DGEDRM CCCc1occc1C([O-])=C(C#N)c1nc2[nH]ccc(C)c-2n1 ZINC000342656590 528804566 /nfs/dbraw/zinc/80/45/66/528804566.db2.gz KKFSVHJSFOBNTI-LBPRGKRZSA-N -1 0 308.341 3.302 20 30 DGEDRM CC(C)c1csc(C(C#N)=C([O-])c2cn3c(n2)CCCC3)n1 ZINC000519581594 546962771 /nfs/dbraw/zinc/96/27/71/546962771.db2.gz ZSQOEMRQJUCPJP-LLVKDONJSA-N -1 0 314.414 3.289 20 30 DGEDRM COCc1cncc(C([O-])=C(C#N)c2nc3ccccc3s2)c1 ZINC000680935136 549130937 /nfs/dbraw/zinc/13/09/37/549130937.db2.gz WWAZOSAAHGISHM-CYBMUJFWSA-N -1 0 323.377 3.328 20 30 DGEDRM COCc1cncc(C([O-])=C(C#N)c2nc3ccccc3s2)c1 ZINC000680935138 549131574 /nfs/dbraw/zinc/13/15/74/549131574.db2.gz WWAZOSAAHGISHM-ZDUSSCGKSA-N -1 0 323.377 3.328 20 30 DGEDRM CCOc1nc(C([O-])=C(C#N)c2nc(C(C)C)cs2)co1 ZINC000681357569 549195992 /nfs/dbraw/zinc/19/59/92/549195992.db2.gz SCKBDGNUWKLHNR-VIFPVBQESA-N -1 0 305.359 3.143 20 30 DGEDRM Cc1cc(C(C#N)=C([O-])c2cc3cccc(F)c3o2)nc(C)n1 ZINC000682126840 549293924 /nfs/dbraw/zinc/29/39/24/549293924.db2.gz AWPJVUSPKZOUOO-LBPRGKRZSA-N -1 0 309.300 3.469 20 30 DGEDRM N#CC(=C([O-])c1nccs1)c1nc(-c2ccncc2)cs1 ZINC000683689902 549518672 /nfs/dbraw/zinc/51/86/72/549518672.db2.gz SMNGNCHBWSCRNN-SNVBAGLBSA-N -1 0 312.379 3.152 20 30 DGEDRM CC(C)(C)c1ncc(C([O-])=C(C#N)c2nc3ccccc3o2)cn1 ZINC000685143034 549738834 /nfs/dbraw/zinc/73/88/34/549738834.db2.gz HWWQNZARZOOHMW-LBPRGKRZSA-N -1 0 320.352 3.405 20 30 DGEDRM Cc1ccc(N(CCC#N)C(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000738608013 574523129 /nfs/dbraw/zinc/52/31/29/574523129.db2.gz AACDZXXLZAYKBA-UHFFFAOYSA-N -1 0 308.337 3.254 20 30 DGEDRM Cc1ccc(N=NCc2ccc(-c3ccccc3C(=O)[O-])o2)nn1 ZINC000738632616 574531184 /nfs/dbraw/zinc/53/11/84/574531184.db2.gz JUKYJRVKNOGCBZ-UHFFFAOYSA-N -1 0 322.324 3.189 20 30 DGEDRM COc1cc(C#N)cc(Cl)c1OCc1cc(C(=O)[O-])co1 ZINC000737846008 574531231 /nfs/dbraw/zinc/53/12/31/574531231.db2.gz RLBOLTNOLKJPOQ-UHFFFAOYSA-N -1 0 307.689 3.090 20 30 DGEDRM CCOCCNC(=S)[N-]c1ccccc1S[C@@H](C)CC#N ZINC000731321257 574547114 /nfs/dbraw/zinc/54/71/14/574547114.db2.gz PJSSSAHPYAIRCT-LBPRGKRZSA-N -1 0 323.487 3.404 20 30 DGEDRM COc1cc(C)c(C(=O)/C=C\c2ccoc2C(=O)[O-])cc1OC ZINC000737869057 574566683 /nfs/dbraw/zinc/56/66/83/574566683.db2.gz YGEMGJXZQWDOHZ-PLNGDYQASA-N -1 0 316.309 3.200 20 30 DGEDRM C#CCOc1ccc(C(C)N=Nc2ccccc2C(=O)[O-])cc1 ZINC000733202261 574607313 /nfs/dbraw/zinc/60/73/13/574607313.db2.gz YXTGZJNQMYRQFH-UHFFFAOYSA-N -1 0 308.337 3.233 20 30 DGEDRM O=C([O-])COc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1 ZINC000733207177 574608454 /nfs/dbraw/zinc/60/84/54/574608454.db2.gz WAGNEEHCRLGNRA-QPJJXVBHSA-N -1 0 318.275 3.324 20 30 DGEDRM C[C@@H](Oc1cccc(CN=Nc2c(F)cccc2F)c1)C(=O)[O-] ZINC000735615075 574709855 /nfs/dbraw/zinc/70/98/55/574709855.db2.gz LAPMCZIZIVGYSL-SNVBAGLBSA-N -1 0 320.295 3.263 20 30 DGEDRM C#CCOc1cccc(NC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000736089850 574730950 /nfs/dbraw/zinc/73/09/50/574730950.db2.gz QZMSGUKESXASGS-UHFFFAOYSA-N -1 0 310.309 3.041 20 30 DGEDRM C=C(C)COc1cccc(NC(=O)[C@H](CC(C)C)NC(=O)[O-])c1 ZINC000736094838 574731083 /nfs/dbraw/zinc/73/10/83/574731083.db2.gz YZTRMPJMZZTIGD-HNNXBMFYSA-N -1 0 320.389 3.262 20 30 DGEDRM C=CCc1cc(/C=C(/C(=O)[O-])c2ccncc2)cc(OC)c1O ZINC000736114099 574731544 /nfs/dbraw/zinc/73/15/44/574731544.db2.gz FYYTUIDEPDRPMJ-XNTDXEJSSA-N -1 0 311.337 3.150 20 30 DGEDRM C=CCn1c2ccccc2n(CN(CC)CCC(=O)[O-])c1=S ZINC000736118557 574731594 /nfs/dbraw/zinc/73/15/94/574731594.db2.gz VYJKKJCZGRQLGH-UHFFFAOYSA-N -1 0 319.430 3.112 20 30 DGEDRM C/C(=C\CSc1nc(C)cc(C(F)(F)F)c1C#N)C(=O)[O-] ZINC000736120538 574732106 /nfs/dbraw/zinc/73/21/06/574732106.db2.gz ANGWLHLDLWKNEU-XVNBXDOJSA-N -1 0 316.304 3.404 20 30 DGEDRM CC(=O)Nc1cc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1C ZINC000736161395 574733563 /nfs/dbraw/zinc/73/35/63/574733563.db2.gz OKQUURXZICGLKS-KRWDZBQOSA-N -1 0 323.352 3.063 20 30 DGEDRM CC(C)(C)CCCC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736248177 574737817 /nfs/dbraw/zinc/73/78/17/574737817.db2.gz DKDQYCBTSYDMHY-HNNXBMFYSA-N -1 0 303.358 3.444 20 30 DGEDRM CC(C)C[C@H](C)CC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736403192 574747537 /nfs/dbraw/zinc/74/75/37/574747537.db2.gz BKSBOZDDIVYFCN-BLLLJJGKSA-N -1 0 303.358 3.299 20 30 DGEDRM CCOc1ccc(O)c(/C=N/[C@H](CC(=O)[O-])c2ccccc2)c1 ZINC000737202723 574826950 /nfs/dbraw/zinc/82/69/50/574826950.db2.gz CPGBMNGFNSCHEE-PUMYGXPMSA-N -1 0 313.353 3.426 20 30 DGEDRM COc1cccc(C=NCCc2ccc(NC(=O)[O-])cc2)c1O ZINC000738098140 574859054 /nfs/dbraw/zinc/85/90/54/574859054.db2.gz ZVCIZBQRDUCWEI-WOJGMQOQSA-N -1 0 314.341 3.152 20 30 DGEDRM Cc1cc(C)cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738364652 574867139 /nfs/dbraw/zinc/86/71/39/574867139.db2.gz YCUCXFCJXVSCPZ-MRXNPFEDSA-N -1 0 309.321 3.158 20 30 DGEDRM Cc1nc(C)c(C#N)c(SCc2ccc(F)cc2C(=O)[O-])n1 ZINC000738844205 574884257 /nfs/dbraw/zinc/88/42/57/574884257.db2.gz LFLCWXQZAXOAOW-UHFFFAOYSA-N -1 0 317.345 3.095 20 30 DGEDRM N#C[C@H](NC(=O)c1ccc(C(=O)[O-])s1)c1ccc(Cl)cc1 ZINC000739075973 574890966 /nfs/dbraw/zinc/89/09/66/574890966.db2.gz XBHKXZZYLVWUIT-JTQLQIEISA-N -1 0 320.757 3.094 20 30 DGEDRM N#Cc1ccc([C@@H](OC(=O)c2cccc(Cl)c2)C(=O)[O-])cc1 ZINC000739116072 574892674 /nfs/dbraw/zinc/89/26/74/574892674.db2.gz ZBICYGVQNCERDL-CQSZACIVSA-N -1 0 315.712 3.194 20 30 DGEDRM N#Cc1ccc([C@H](OC(=O)/C=C/c2cccs2)C(=O)[O-])cc1 ZINC000739110961 574892712 /nfs/dbraw/zinc/89/27/12/574892712.db2.gz SYXOIBKMFVLYEO-KIUWMYQTSA-N -1 0 313.334 3.002 20 30 DGEDRM N#Cc1ccsc1C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000739142179 574892868 /nfs/dbraw/zinc/89/28/68/574892868.db2.gz HUJHHRBNRCIPBQ-NSHDSACASA-N -1 0 321.741 3.256 20 30 DGEDRM N#Cc1ccc(CCc2nc(-c3ccc(C(=O)[O-])cc3)no2)cc1 ZINC000739118550 574892972 /nfs/dbraw/zinc/89/29/72/574892972.db2.gz TULHDQFWCDCINA-UHFFFAOYSA-N -1 0 319.320 3.092 20 30 DGEDRM N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])cc2)cc1 ZINC000739130180 574893054 /nfs/dbraw/zinc/89/30/54/574893054.db2.gz MPXPCGGXHJWWJD-HOTGVXAUSA-N -1 0 322.320 3.010 20 30 DGEDRM O=C([O-])NCCCC(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000739961034 574916590 /nfs/dbraw/zinc/91/65/90/574916590.db2.gz PABNRTAHWJAHJD-UHFFFAOYSA-N -1 0 322.364 3.073 20 30 DGEDRM Cc1nnc(N=NC2CCC[C@@H]2c2ccc(Cl)cc2)[n-]c1=O ZINC000741458771 574958330 /nfs/dbraw/zinc/95/83/30/574958330.db2.gz YAMLARLNUYEYDE-GFCCVEGCSA-N -1 0 317.780 3.275 20 30 DGEDRM COc1cccc(F)c1C(C)=NNc1cccc(C(=O)[O-])c1 ZINC000741810493 574972102 /nfs/dbraw/zinc/97/21/02/574972102.db2.gz KTSJNLVBHDETCY-UHFFFAOYSA-N -1 0 302.305 3.369 20 30 DGEDRM C[C@@H](Oc1cccc(/C=C2/Oc3ccccc3C2=O)c1)C(=O)[O-] ZINC000742436126 575000270 /nfs/dbraw/zinc/00/02/70/575000270.db2.gz HPRHKZKGJIPCJN-HPUUJOOBSA-N -1 0 310.305 3.155 20 30 DGEDRM C[C@H](Oc1cccc(/C=C2\Oc3ccccc3C2=O)c1)C(=O)[O-] ZINC000742436128 575000279 /nfs/dbraw/zinc/00/02/79/575000279.db2.gz HPRHKZKGJIPCJN-OKHBPPCESA-N -1 0 310.305 3.155 20 30 DGEDRM N#CC(=C([O-])C1=COCCC1)c1nc2cc(F)ccc2s1 ZINC000744117134 575072499 /nfs/dbraw/zinc/07/24/99/575072499.db2.gz UQKKLIVMODNIHK-NSHDSACASA-N -1 0 302.330 3.306 20 30 DGEDRM Cc1cccc2c1C/C(=C/c1ccc(OCC(=O)[O-])cc1)C2=O ZINC000729149580 575220372 /nfs/dbraw/zinc/22/03/72/575220372.db2.gz FQOMDILANRPQRE-ZROIWOOFSA-N -1 0 308.333 3.281 20 30 DGEDRM O=C([O-])c1cc(C(=O)/C=C/c2ccc3c(c2)OCCO3)cs1 ZINC000730149020 575276832 /nfs/dbraw/zinc/27/68/32/575276832.db2.gz RZXWSHGILCAKKT-HNQUOIGGSA-N -1 0 316.334 3.114 20 30 DGEDRM CC(=NNc1cccc(C(=O)[O-])c1)c1cnn(-c2ccccc2)c1 ZINC000746485527 575454899 /nfs/dbraw/zinc/45/48/99/575454899.db2.gz XYHKFAWQYRMVPK-UHFFFAOYSA-N -1 0 320.352 3.407 20 30 DGEDRM C[C@H](Oc1cccc(C=NNc2cc(F)cc(F)c2)c1)C(=O)[O-] ZINC000746679433 575469109 /nfs/dbraw/zinc/46/91/09/575469109.db2.gz GRWXCFXPTMZGDJ-JTQLQIEISA-N -1 0 320.295 3.263 20 30 DGEDRM C[C@@H](Oc1cccc(C=NNc2ccc(F)cc2)c1)C(=O)[O-] ZINC000746679432 575469691 /nfs/dbraw/zinc/46/96/91/575469691.db2.gz RPDQUNXTXSYNLM-LLVKDONJSA-N -1 0 302.305 3.124 20 30 DGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/Cc2cccc(F)n2)c1[O-] ZINC000747691036 575533027 /nfs/dbraw/zinc/53/30/27/575533027.db2.gz UDIAXJOFFNTOOX-OMCISZLKSA-N -1 0 309.684 3.107 20 30 DGEDRM O=C([O-])c1cccc(NN=Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000747735613 575537492 /nfs/dbraw/zinc/53/74/92/575537492.db2.gz 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/nfs/dbraw/zinc/85/76/53/1192857653.db2.gz CDGVITAKGXZZRA-UHFFFAOYSA-N -1 0 323.146 3.495 20 30 DGEDRM Cc1ccc(NN=Cc2cnc(C(C)(C)C)nc2)cc1C(=O)[O-] ZINC001600463324 1192858352 /nfs/dbraw/zinc/85/83/52/1192858352.db2.gz RDABDHJEFBZMQZ-UHFFFAOYSA-N -1 0 312.373 3.227 20 30 DGEDRM Cc1ccc(SCCNc2ccc(C(=O)[O-])nc2C#N)cc1 ZINC001600485278 1192859678 /nfs/dbraw/zinc/85/96/78/1192859678.db2.gz JDQBMSSBAYRECH-UHFFFAOYSA-N -1 0 313.382 3.164 20 30 DGEDRM Cc1ccc2c(c1)OCC/C(=C/c1cc(C(=O)[O-])n(C)c1)C2=O ZINC001600496911 1192862799 /nfs/dbraw/zinc/86/27/99/1192862799.db2.gz BEVHHYYVDUZCGC-JYRVWZFOSA-N -1 0 311.337 3.081 20 30 DGEDRM Cc1csc(C(=O)[O-])c1NC(=O)/C=C\c1ccccc1C#N ZINC001600649629 1192888994 /nfs/dbraw/zinc/88/89/94/1192888994.db2.gz XBSNBBMCDLCIHM-SREVYHEPSA-N -1 0 312.350 3.278 20 30 DGEDRM Cc1csc(NC(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])c1C#N ZINC001600661753 1192890117 /nfs/dbraw/zinc/89/01/17/1192890117.db2.gz DKWRFBOSSCJNEZ-PWSUYJOCSA-N -1 0 321.402 3.083 20 30 DGEDRM Cc1nn(Cc2ccc(C#N)cc2Cl)c(C)c1[C@@H](C)C(=O)[O-] ZINC001600789222 1192899647 /nfs/dbraw/zinc/89/96/47/1192899647.db2.gz POYGMBXHWSWBQT-SECBINFHSA-N -1 0 317.776 3.261 20 30 DGEDRM Cc1oc(C=NN=c2[nH]c3ccccc3s2)cc1C(=O)[O-] ZINC001600838035 1192903614 /nfs/dbraw/zinc/90/36/14/1192903614.db2.gz LTBAGMJVWIXUBA-UHFFFAOYSA-N -1 0 301.327 3.342 20 30 DGEDRM Cc1oc(C[N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)cc1C(=O)[O-] ZINC001600842773 1192903690 /nfs/dbraw/zinc/90/36/90/1192903690.db2.gz GBAVRGIFQNAXSB-UHFFFAOYSA-N -1 0 324.380 3.473 20 30 DGEDRM Cc1sc(C(=O)[O-])cc1COC(=O)c1cccc(C#N)c1C ZINC001600866657 1192905942 /nfs/dbraw/zinc/90/59/42/1192905942.db2.gz KCNCUNHQHUJWEE-UHFFFAOYSA-N -1 0 315.350 3.292 20 30 DGEDRM Cn1cc(/C=C/C(=O)c2cc(C(=O)[O-])co2)c(-c2ccccc2)n1 ZINC001600944808 1192911180 /nfs/dbraw/zinc/91/11/80/1192911180.db2.gz FUFPNINCRSRTQI-BQYQJAHWSA-N -1 0 322.320 3.274 20 30 DGEDRM Cn1cc(/C=C/C(=O)c2nc3ccccc3s2)cc1C(=O)[O-] ZINC001600945321 1192911724 /nfs/dbraw/zinc/91/17/24/1192911724.db2.gz KABMPGLIVMHXME-VOTSOKGWSA-N -1 0 312.350 3.229 20 30 DGEDRM N#CC1(CC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2Cl)CC1 ZINC001601055343 1192914425 /nfs/dbraw/zinc/91/44/25/1192914425.db2.gz WDDJDTZQYOAGIG-UHFFFAOYSA-N -1 0 313.140 3.324 20 30 DGEDRM N#CC1(CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CCCC1 ZINC001601055889 1192914441 /nfs/dbraw/zinc/91/44/41/1192914441.db2.gz FYRAFVBXZVMVDA-UHFFFAOYSA-N -1 0 323.736 3.442 20 30 DGEDRM N#CC1(CC(=O)Nc2cnc(C(=O)[O-])c(Cl)c2)CCCCC1 ZINC001601054466 1192914525 /nfs/dbraw/zinc/91/45/25/1192914525.db2.gz HRKLKAVPGFYRSG-UHFFFAOYSA-N -1 0 321.764 3.236 20 30 DGEDRM N#CC1(c2ccc(C(=O)Nc3ccc(CC(=O)[O-])cc3)cc2)CC1 ZINC001601057919 1192914547 /nfs/dbraw/zinc/91/45/47/1192914547.db2.gz DVDXLXRSFBQOTI-UHFFFAOYSA-N -1 0 320.348 3.121 20 30 DGEDRM N#C[C@@]1(C(=O)Nc2ccc(C(=O)[O-])s2)CC2CCC1CC2 ZINC001601050662 1192914576 /nfs/dbraw/zinc/91/45/76/1192914576.db2.gz FFFUTDYJEMTTDR-HEEBCNDISA-N -1 0 304.371 3.105 20 30 DGEDRM N#C[C@@]1(C(=O)Oc2ccc(C(=O)[O-])cc2Cl)CC12CCCC2 ZINC001601053846 1192914601 /nfs/dbraw/zinc/91/46/01/1192914601.db2.gz WTTHQQFVGFXODT-MRXNPFEDSA-N -1 0 319.744 3.418 20 30 DGEDRM N#CCC1(CN[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)CC1 ZINC001601062638 1192915233 /nfs/dbraw/zinc/91/52/33/1192915233.db2.gz SABHPAWFVADHSV-GFCCVEGCSA-N -1 0 312.291 3.272 20 30 DGEDRM N#CC[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001601062725 1192915379 /nfs/dbraw/zinc/91/53/79/1192915379.db2.gz UGYJWKGOKJQKTO-AWEZNQCLSA-N -1 0 308.337 3.411 20 30 DGEDRM N#CC[C@H](CC(=O)O[C@@H](C(=O)[O-])C1CCCC1)c1ccccc1 ZINC001601062343 1192915408 /nfs/dbraw/zinc/91/54/08/1192915408.db2.gz NMIFMKDZWOCLOA-NVXWUHKLSA-N -1 0 315.369 3.261 20 30 DGEDRM N#CCCCC(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001601066878 1192915588 /nfs/dbraw/zinc/91/55/88/1192915588.db2.gz QYYQVPIHODXJDU-GFCCVEGCSA-N -1 0 316.140 3.356 20 30 DGEDRM N#CCOc1cccc(/C=C\C(=O)c2cc(C(=O)[O-])cs2)c1 ZINC001601074108 1192915600 /nfs/dbraw/zinc/91/56/00/1192915600.db2.gz JDNZHSIIOZNHPW-PLNGDYQASA-N -1 0 313.334 3.245 20 30 DGEDRM N#CCCCOc1cccc(/C=C/c2ncncc2C(=O)[O-])c1 ZINC001601065667 1192915707 /nfs/dbraw/zinc/91/57/07/1192915707.db2.gz REWUMLLGHXUAGR-VOTSOKGWSA-N -1 0 309.325 3.028 20 30 DGEDRM N#CCSc1ccccc1C(=O)O[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001601075742 1192915717 /nfs/dbraw/zinc/91/57/17/1192915717.db2.gz PWLHYFZXSOTWKM-NEPJUHHUSA-N -1 0 319.382 3.102 20 30 DGEDRM N#CCN(CCC(=O)[O-])Cc1cc(Cl)cc2ccccc21 ZINC001601072059 1192915733 /nfs/dbraw/zinc/91/57/33/1192915733.db2.gz CNXSBRUQEVYHBO-UHFFFAOYSA-N -1 0 302.761 3.293 20 30 DGEDRM N#CCCCOc1cccc(/C=C\c2ncncc2C(=O)[O-])c1 ZINC001601065666 1192916037 /nfs/dbraw/zinc/91/60/37/1192916037.db2.gz REWUMLLGHXUAGR-SREVYHEPSA-N -1 0 309.325 3.028 20 30 DGEDRM N#Cc1c(CN[C@@H](CF)c2ccc(F)cc2)cccc1C(=O)[O-] ZINC001601081206 1192916225 /nfs/dbraw/zinc/91/62/25/1192916225.db2.gz DLPVPBGDMZHGSY-INIZCTEOSA-N -1 0 316.307 3.196 20 30 DGEDRM N#CCc1cccc(Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001601078316 1192916754 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DGEDRM N#Cc1cc(NC(=O)c2ccc(/C=C/C(=O)[O-])o2)ccc1C1CC1 ZINC001601090432 1192917412 /nfs/dbraw/zinc/91/74/12/1192917412.db2.gz ARGFXTLPUHFVSM-VMPITWQZSA-N -1 0 322.320 3.379 20 30 DGEDRM N#Cc1ccc([C@H](N[C@H]2c3ccccc3CC[C@@H]2F)C(=O)[O-])cc1 ZINC001601096274 1192917860 /nfs/dbraw/zinc/91/78/60/1192917860.db2.gz BNPPENGYLMTYHS-BZSNNMDCSA-N -1 0 324.355 3.299 20 30 DGEDRM N#Cc1ccc(C(=O)NC2(C(=O)[O-])CCCCCC2)cc1Cl ZINC001601094164 1192917923 /nfs/dbraw/zinc/91/79/23/1192917923.db2.gz OFIQWAMXPVOFTJ-UHFFFAOYSA-N -1 0 320.776 3.119 20 30 DGEDRM N#Cc1ccc(C(=O)O[C@@H](CCCc2ccccc2)C(=O)[O-])cc1 ZINC001601094227 1192918056 /nfs/dbraw/zinc/91/80/56/1192918056.db2.gz IDHLRRZGVLDWDA-KRWDZBQOSA-N -1 0 323.348 3.191 20 30 DGEDRM N#Cc1ccc([C@@H](OC(=O)C[C@H]2CCC(F)(F)C2)C(=O)[O-])cc1 ZINC001601095859 1192918166 /nfs/dbraw/zinc/91/81/66/1192918166.db2.gz FIRVGPDALCULOW-BXUZGUMPSA-N -1 0 323.295 3.053 20 30 DGEDRM N#Cc1ccc(CCN2C[C@@H](CC(=O)[O-])c3ccccc32)cc1 ZINC001601097605 1192918693 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N#Cc1cccc(OCCOc2cc(Cl)ccc2C(=O)[O-])c1 ZINC001601123742 1192920467 /nfs/dbraw/zinc/92/04/67/1192920467.db2.gz QZCYEGLWDWHLEF-UHFFFAOYSA-N -1 0 317.728 3.368 20 30 DGEDRM N#Cc1nc(C(=O)[O-])ccc1N[C@@H]1c2ccccc2CC[C@H]1F ZINC001601132780 1192920697 /nfs/dbraw/zinc/92/06/97/1192920697.db2.gz HAXTYDYIXMDEJX-MLGOLLRUSA-N -1 0 311.316 3.089 20 30 DGEDRM N#Cc1cccc2[nH]cc(C(=O)Nc3cc(C(=O)[O-])cs3)c21 ZINC001601124949 1192920812 /nfs/dbraw/zinc/92/08/12/1192920812.db2.gz ZWNCETMFZGNJHH-UHFFFAOYSA-N -1 0 311.322 3.052 20 30 DGEDRM O=C([O-])c1cc(NC(=O)C#Cc2cccs2)cc(Cl)c1F ZINC001601225516 1192922027 /nfs/dbraw/zinc/92/20/27/1192922027.db2.gz LMDQEKKXURIPRB-UHFFFAOYSA-N -1 0 323.732 3.229 20 30 DGEDRM O=C([O-])c1cccc(NC(=O)CC#Cc2ccccc2)c1Cl ZINC001601243632 1192925014 /nfs/dbraw/zinc/92/50/14/1192925014.db2.gz GNGNVUXSIYMRAB-UHFFFAOYSA-N -1 0 313.740 3.419 20 30 DGEDRM O=C([O-])c1ccccc1CCC(=O)OCCC#Cc1ccccc1 ZINC001601291801 1192927199 /nfs/dbraw/zinc/92/71/99/1192927199.db2.gz SOTHMMZZQVIOIG-UHFFFAOYSA-N -1 0 322.360 3.302 20 30 DGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2occ(C)c2C)n1 ZINC001341920334 1179080520 /nfs/dbraw/zinc/08/05/20/1179080520.db2.gz IGWOCPRWGBFMAP-SNVBAGLBSA-N -1 0 318.354 3.020 20 30 DGEDRM Cc1cc(C(C#N)=C([O-])c2cnc(CC(C)C)s2)nc(C)n1 ZINC001341931307 1179082480 /nfs/dbraw/zinc/08/24/80/1179082480.db2.gz LTFVNYZRQGGYKC-GFCCVEGCSA-N -1 0 314.414 3.239 20 30 DGEDRM N#CC(=C([O-])C=Cc1cccs1)c1nc(N)c2ccccc2n1 ZINC001342521618 1179149002 /nfs/dbraw/zinc/14/90/02/1179149002.db2.gz SGUIXGSJLXIGQK-WSROAFLRSA-N -1 0 320.377 3.163 20 30 DGEDRM C=CCC(C)(C)CNC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001343040212 1179227884 /nfs/dbraw/zinc/22/78/84/1179227884.db2.gz FJMDOEICYZQPNO-GJZGRUSLSA-N -1 0 316.401 3.201 20 30 DGEDRM O=C([O-])C1(CN=Cc2cc3ccccc3[nH]c2=O)CCCCC1 ZINC001601709355 1192942312 /nfs/dbraw/zinc/94/23/12/1192942312.db2.gz RXMXIUUDNBVLEJ-ODLFYWEKSA-N -1 0 312.369 3.394 20 30 DGEDRM CC(C)Cc1nc(C([O-])=C(C#N)c2cccc(F)n2)cs1 ZINC001343311987 1179254658 /nfs/dbraw/zinc/25/46/58/1179254658.db2.gz JPOIJXLJGIKOPE-SNVBAGLBSA-N -1 0 303.362 3.366 20 30 DGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](C)CC2CCCCC2)CC1 ZINC001343533225 1179292625 /nfs/dbraw/zinc/29/26/25/1179292625.db2.gz BXLLUGMNQUQBBB-CYBMUJFWSA-N -1 0 313.463 3.148 20 30 DGEDRM CCCn1ncc(C([O-])=C(C#N)c2nc3ccccc3o2)c1C ZINC001343843042 1179336590 /nfs/dbraw/zinc/33/65/90/1179336590.db2.gz QNIHDWOILFBHTF-GFCCVEGCSA-N -1 0 308.341 3.233 20 30 DGEDRM O=C([O-])CC[C@@H](NC(=O)CC#Cc1ccccc1)c1ccccc1 ZINC001601973689 1192953462 /nfs/dbraw/zinc/95/34/62/1192953462.db2.gz IINTVUHKPFCIMB-GOSISDBHSA-N -1 0 321.376 3.151 20 30 DGEDRM C=CC[C@H](NC(=O)c1cc2ccc(C(C)C)cc2[nH]1)C(=O)[O-] ZINC001344553815 1179450122 /nfs/dbraw/zinc/45/01/22/1179450122.db2.gz VBOXINLKEBXBEU-ZDUSSCGKSA-N -1 0 300.358 3.050 20 30 DGEDRM O=C([O-])c1ccc(/C=C2/C(=O)c3cccc4c3[C@@H]2CCC4)nc1 ZINC001602331581 1192970735 /nfs/dbraw/zinc/97/07/35/1192970735.db2.gz JKUIVRPFBCOMRF-BRYYZUPOSA-N -1 0 305.333 3.480 20 30 DGEDRM C=CC[C@H](NC(=O)Nc1ccc2c(c1)C=CCCC2)C(=O)[O-] ZINC001346683189 1179734159 /nfs/dbraw/zinc/73/41/59/1179734159.db2.gz NDEDIDJZSHQOTF-HNNXBMFYSA-N -1 0 300.358 3.187 20 30 DGEDRM O=C([O-])c1cccc(C2=NNC(=Nc3ccccc3)SC2)c1 ZINC001602434619 1192979916 /nfs/dbraw/zinc/97/99/16/1192979916.db2.gz YMMSJAZAIDLARX-UHFFFAOYSA-N -1 0 311.366 3.113 20 30 DGEDRM Cc1ccoc1C([O-])=C(C#N)c1nccn1Cc1ccccc1 ZINC001347063130 1179773649 /nfs/dbraw/zinc/77/36/49/1179773649.db2.gz HXHAWEAQKAYLNT-HNNXBMFYSA-N -1 0 305.337 3.323 20 30 DGEDRM O=C([O-])c1cscc1C(=O)OCC#Cc1ccccc1Cl ZINC001602565377 1192989055 /nfs/dbraw/zinc/98/90/55/1192989055.db2.gz ZGOQAKZNSYRVKP-UHFFFAOYSA-N -1 0 320.753 3.308 20 30 DGEDRM C#C[C@@H](NC(=O)Nc1ccc(C)c(C(=O)[O-])c1)c1ccccc1 ZINC001602672658 1192994066 /nfs/dbraw/zinc/99/40/66/1192994066.db2.gz GDSBZEBLOBNUGL-MRXNPFEDSA-N -1 0 308.337 3.189 20 30 DGEDRM C#CCN(Cc1ccccc1)C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC001602720941 1192995045 /nfs/dbraw/zinc/99/50/45/1192995045.db2.gz 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C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H]1c1ccc(F)cc1C ZINC001588615438 983711825 /nfs/dbraw/zinc/71/18/25/983711825.db2.gz UGVFYLNTIPSHCE-OAHLLOKOSA-N -1 0 305.349 3.219 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC001588629555 983738148 /nfs/dbraw/zinc/73/81/48/983738148.db2.gz MFVJXKPECVZWIV-UHFFFAOYSA-N -1 0 305.227 3.204 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(-c2ccco2)cc1F ZINC001588629802 983739447 /nfs/dbraw/zinc/73/94/47/983739447.db2.gz UWPUTMUFLHRPSA-UHFFFAOYSA-N -1 0 303.289 3.445 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC001588634127 983752181 /nfs/dbraw/zinc/75/21/81/983752181.db2.gz RSGXJBFPFVOVMJ-UHFFFAOYSA-N -1 0 313.357 3.190 20 30 DGEDRM C=C1CCN(C(=O)Nc2cccc(SCCC(=O)[O-])c2)CC1 ZINC001588649989 983771334 /nfs/dbraw/zinc/77/13/34/983771334.db2.gz QTFUWRZQBCSMDV-UHFFFAOYSA-N -1 0 320.414 3.437 20 30 DGEDRM C=C[C@@H](C(=O)N(CCc1ccccc1)CC(=O)[O-])c1ccccc1 ZINC001588661666 983787069 /nfs/dbraw/zinc/78/70/69/983787069.db2.gz 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ZINC001588690866 983877559 /nfs/dbraw/zinc/87/75/59/983877559.db2.gz NBOBGKVATFWRQL-USACIQFYSA-N -1 0 314.381 3.389 20 30 DGEDRM C=CCC(F)(F)C(=O)Nc1nc(C(C)C)c(C(=O)[O-])s1 ZINC001588742668 984033975 /nfs/dbraw/zinc/03/39/75/984033975.db2.gz ICDPVALGPYKLQJ-UHFFFAOYSA-N -1 0 304.318 3.115 20 30 DGEDRM C=CCC(F)(F)C(=O)N1CCCc2c(C)ccc(C(=O)[O-])c21 ZINC001588742955 984035630 /nfs/dbraw/zinc/03/56/30/984035630.db2.gz OVWXRVVOCFLDNQ-UHFFFAOYSA-N -1 0 309.312 3.184 20 30 DGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001588745409 984051110 /nfs/dbraw/zinc/05/11/10/984051110.db2.gz YLXCSWARHIWBTE-CQSZACIVSA-N -1 0 313.353 3.203 20 30 DGEDRM C=CC[C@@H](N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccncc1 ZINC001588745716 984054416 /nfs/dbraw/zinc/05/44/16/984054416.db2.gz MITHMNNKQIRWSX-ZYHUDNBSSA-N -1 0 303.387 3.204 20 30 DGEDRM C=CC[C@@H](Sc1nnc(-c2ccc(C)cc2C)o1)C(=O)[O-] ZINC001588758754 984107459 /nfs/dbraw/zinc/10/74/59/984107459.db2.gz JIXSLXPBKXBUMK-GFCCVEGCSA-N -1 0 304.371 3.475 20 30 DGEDRM C=CCC1(C(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)CCCC1 ZINC001588762026 984115006 /nfs/dbraw/zinc/11/50/06/984115006.db2.gz FQJBXISJWJGIBH-MRXNPFEDSA-N -1 0 315.413 3.416 20 30 DGEDRM C=CCC1(C(=O)N(C)Cc2ccc(C(=O)[O-])cn2)CCCCC1 ZINC001588762468 984116202 /nfs/dbraw/zinc/11/62/02/984116202.db2.gz JMOMENSJNBRFSK-UHFFFAOYSA-N -1 0 316.401 3.265 20 30 DGEDRM C=CC[C@@H](Sc1nnc(-c2ccccc2OCC)o1)C(=O)[O-] ZINC001588763275 984118645 /nfs/dbraw/zinc/11/86/45/984118645.db2.gz RLGFOEPJZQXXPW-GFCCVEGCSA-N -1 0 320.370 3.257 20 30 DGEDRM C=CCC1(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCCC1 ZINC001588767373 984130570 /nfs/dbraw/zinc/13/05/70/984130570.db2.gz YDFQKTAWJUCLBP-UHFFFAOYSA-N -1 0 305.334 3.236 20 30 DGEDRM C=CC[C@H]1CCCC[C@H]1NC(=O)NCc1cc(C)c(C(=O)[O-])o1 ZINC001588770709 984135722 /nfs/dbraw/zinc/13/57/22/984135722.db2.gz DROIQVZEJYYVTF-GXTWGEPZSA-N -1 0 320.389 3.220 20 30 DGEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCCCCCC(=O)[O-] ZINC001588770758 984136335 /nfs/dbraw/zinc/13/63/35/984136335.db2.gz 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ZINC001588776783 984153582 /nfs/dbraw/zinc/15/35/82/984153582.db2.gz GSWZKGPRMWNTNQ-MRXNPFEDSA-N -1 0 324.380 3.397 20 30 DGEDRM C=CCC[C@H](C(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccccc1 ZINC001588776924 984153948 /nfs/dbraw/zinc/15/39/48/984153948.db2.gz NCYXAKANOSPQMN-CVEARBPZSA-N -1 0 301.386 3.202 20 30 DGEDRM C=CCC[C@H](C(=O)Nc1cccc(C(=O)[O-])n1)c1ccccc1 ZINC001588777328 984155948 /nfs/dbraw/zinc/15/59/48/984155948.db2.gz ZOPAYUYFCQEBRP-AWEZNQCLSA-N -1 0 310.353 3.468 20 30 DGEDRM C=CCC[C@H]1CCCN1C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001588782141 984170447 /nfs/dbraw/zinc/17/04/47/984170447.db2.gz QUEYQJLFHANICP-NSHDSACASA-N -1 0 323.780 3.396 20 30 DGEDRM C=CCCCC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001588782265 984171108 /nfs/dbraw/zinc/17/11/08/984171108.db2.gz BEDJLHRIJDTVPO-OAHLLOKOSA-N -1 0 301.386 3.277 20 30 DGEDRM C=CCC[C@@H]1CCCN1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001588782473 984172264 /nfs/dbraw/zinc/17/22/64/984172264.db2.gz VJMGBVHISYLSOP-CQSZACIVSA-N -1 0 318.373 3.113 20 30 DGEDRM C=CCCCC(=O)Nc1cc(C(F)(F)F)cnc1C(=O)[O-] ZINC001588782540 984172842 /nfs/dbraw/zinc/17/28/42/984172842.db2.gz HRBKFZFQFDSRGR-UHFFFAOYSA-N -1 0 302.252 3.093 20 30 DGEDRM C=CCCC[C@H](NC(=O)[C@H](OC(C)C)c1ccccc1)C(=O)[O-] ZINC001588786188 984182965 /nfs/dbraw/zinc/18/29/65/984182965.db2.gz NGYANYDIGJNNEU-JKSUJKDBSA-N -1 0 319.401 3.078 20 30 DGEDRM C=CCCC[C@@H](NC(=O)[C@@H](c1ccc(F)cc1)C(C)C)C(=O)[O-] ZINC001588786986 984184549 /nfs/dbraw/zinc/18/45/49/984184549.db2.gz SFUXRZJLMGYRLS-HZPDHXFCSA-N -1 0 321.392 3.491 20 30 DGEDRM C=CCCC[C@H](NC(=O)[C@H](CC=C)c1ccccc1)C(=O)[O-] ZINC001588787382 984187186 /nfs/dbraw/zinc/18/71/86/984187186.db2.gz WARNEIPLASONSV-CVEARBPZSA-N -1 0 301.386 3.272 20 30 DGEDRM C=CCCC[C@@H](NC(=O)/C=C(/C)c1cccc(OC)c1)C(=O)[O-] ZINC001588790457 984206460 /nfs/dbraw/zinc/20/64/60/984206460.db2.gz XDKHREMHLWYJIZ-DVFVSVACSA-N -1 0 317.385 3.024 20 30 DGEDRM C=CCCC[C@@H](NC(=O)c1cccc(C2CCC2)c1)C(=O)[O-] ZINC001588792583 984210833 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C=CCN(CCC#N)[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001588826581 984305119 /nfs/dbraw/zinc/30/51/19/984305119.db2.gz LJEWGCPSANGCNE-CYBMUJFWSA-N -1 0 312.291 3.233 20 30 DGEDRM C=CCn1c(SCc2ccccc2C(=O)[O-])nnc1C1CC1 ZINC001588907689 984539959 /nfs/dbraw/zinc/53/99/59/984539959.db2.gz UJWPNBYAFIVLBS-UHFFFAOYSA-N -1 0 315.398 3.332 20 30 DGEDRM CC#CCCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC001588926960 984595113 /nfs/dbraw/zinc/59/51/13/984595113.db2.gz FNDOUIHITGCXOF-AWEZNQCLSA-N -1 0 307.777 3.166 20 30 DGEDRM CC(=NNc1ccc(F)c(C(=O)[O-])c1)c1cnn(C2CCC2)c1 ZINC001589016487 984995610 /nfs/dbraw/zinc/99/56/10/984995610.db2.gz PEMVJDJFJJHYAL-UHFFFAOYSA-N -1 0 316.336 3.282 20 30 DGEDRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CNc1ccc(C#N)cc1C1CC1 ZINC001599960565 985773115 /nfs/dbraw/zinc/77/31/15/985773115.db2.gz LMNCTCFYCPAVLR-UHFFFAOYSA-N -1 0 323.352 3.065 20 30 DGEDRM Cc1[nH]c2ccc(CNc3ccc(C(=O)[O-])nc3C#N)cc2c1C ZINC001599965076 985887140 /nfs/dbraw/zinc/88/71/40/985887140.db2.gz 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N#CCCCOc1cccc(NCc2cccc(C(=O)[O-])n2)c1 ZINC001610621944 1193401464 /nfs/dbraw/zinc/40/14/64/1193401464.db2.gz WDTXYTGPTYXSAY-UHFFFAOYSA-N -1 0 311.341 3.074 20 30 DGEDRM N#CC1(c2ccc(C(=O)Nc3ccsc3C(=O)[O-])cc2)CC1 ZINC001610620548 1193401465 /nfs/dbraw/zinc/40/14/65/1193401465.db2.gz OWWONEUDIPOMLQ-UHFFFAOYSA-N -1 0 312.350 3.254 20 30 DGEDRM N#Cc1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1Cl ZINC001610629497 1193401775 /nfs/dbraw/zinc/40/17/75/1193401775.db2.gz XEEQIPNYRQKLPG-UHFFFAOYSA-N -1 0 318.760 3.185 20 30 DGEDRM N#Cc1cccc(OCCNc2ccc(F)c(C(=O)[O-])c2F)c1 ZINC001610632321 1193401854 /nfs/dbraw/zinc/40/18/54/1193401854.db2.gz KCLYNQLXRDZVBD-UHFFFAOYSA-N -1 0 318.279 3.026 20 30 DGEDRM N#Cc1nc(C(=O)[O-])ccc1Nc1cc(Cl)c(N)c(Cl)c1 ZINC001610634321 1193402364 /nfs/dbraw/zinc/40/23/64/1193402364.db2.gz WXKKFNJWBQRFNB-UHFFFAOYSA-N -1 0 323.139 3.284 20 30 DGEDRM O=C([O-])c1cc(/C=C2/CCOc3cc(Cl)ccc3C2=O)c[nH]1 ZINC001610811154 1193409683 /nfs/dbraw/zinc/40/96/83/1193409683.db2.gz NYKGIHZLXYSDCZ-YHYXMXQVSA-N -1 0 317.728 3.415 20 30 DGEDRM O=C([O-])c1ccc(Br)c(NN=Cc2ccoc2)c1 ZINC001610820983 1193409951 /nfs/dbraw/zinc/40/99/51/1193409951.db2.gz GOYJCMQMMUPCHQ-UHFFFAOYSA-N -1 0 309.119 3.186 20 30 DGEDRM O=C([O-])c1ccc(CN=Cc2cc3ccccc3[nH]c2=O)cc1 ZINC001610825431 1193410584 /nfs/dbraw/zinc/41/05/84/1193410584.db2.gz ASLOVQNLNZNNBL-YBFXNURJSA-N -1 0 306.321 3.258 20 30 DGEDRM O=C([O-])c1ccc(/C=C2/CSc3c(F)cccc3C2=O)o1 ZINC001610824227 1193410614 /nfs/dbraw/zinc/41/06/14/1193410614.db2.gz NGWZUGGTAZRPNS-VURMDHGXSA-N -1 0 304.298 3.489 20 30 DGEDRM O=C([O-])c1csc(C(=O)/C=C\c2cccc3c2OCO3)c1 ZINC001610870921 1193414427 /nfs/dbraw/zinc/41/44/27/1193414427.db2.gz PWAOOEPJRCCDFA-PLNGDYQASA-N -1 0 302.307 3.071 20 30 DGEDRM O=C([O-])c1coc(/C=C2\CCc3ccc([N+](=O)[O-])cc3C2=O)c1 ZINC001610867325 1193414485 /nfs/dbraw/zinc/41/44/85/1193414485.db2.gz YVSOXPCPYJCHRT-BJMVGYQFSA-N -1 0 313.265 3.099 20 30 DGEDRM N#Cc1sc(NC[C@H](C(=O)[O-])C2CCCCC2)nc1Cl ZINC001601136004 1186667936 /nfs/dbraw/zinc/66/79/36/1186667936.db2.gz ACYZKCVLZKPFQI-VIFPVBQESA-N -1 0 313.810 3.361 20 30 DGEDRM N#CC(=C([O-])c1cc2c(o1)CCCC2)c1ncc(F)cc1F ZINC001520449437 1186945487 /nfs/dbraw/zinc/94/54/87/1186945487.db2.gz PLNSPOJFATZCMD-NSHDSACASA-N -1 0 302.280 3.322 20 30 DGEDRM Cc1c(C([O-])=C(C#N)c2cccc(F)n2)cnn1-c1ccccc1 ZINC001524706049 1187262122 /nfs/dbraw/zinc/26/21/22/1187262122.db2.gz WZHLOLSMOFFMHO-CQSZACIVSA-N -1 0 320.327 3.205 20 30 DGEDRM N#C[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccc(F)cc1 ZINC001539962659 1188211208 /nfs/dbraw/zinc/21/12/08/1188211208.db2.gz ZDXWTMLVUPJITC-ZDUSSCGKSA-N -1 0 304.708 3.179 20 30 DGEDRM Cc1cc(C(=O)Nc2cc(F)cc(Cl)c2[O-])ncc1C#N ZINC001617239580 1193562965 /nfs/dbraw/zinc/56/29/65/1193562965.db2.gz BPNMOVXRLGKMNG-UHFFFAOYSA-N -1 0 305.696 3.012 20 30 DGEDRM CCCNc1ccc(C#N)cc1NC(=O)c1ccc(F)c([O-])c1 ZINC001617905230 1193585319 /nfs/dbraw/zinc/58/53/19/1193585319.db2.gz DVRWXHSMPYRIBR-UHFFFAOYSA-N -1 0 313.332 3.477 20 30 DGEDRM CCC[C@H](CC1CCCCC1)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC001557256086 1189051427 /nfs/dbraw/zinc/05/14/27/1189051427.db2.gz YVOVKVLWVIJZFC-CYBMUJFWSA-N -1 0 313.405 3.478 20 30 DGEDRM N#C[C@@H](CCc1ccccc1)C(=O)Nc1ccc(F)c(F)c1[O-] ZINC001570132454 1190802146 /nfs/dbraw/zinc/80/21/46/1190802146.db2.gz GEEZGSULOLUKJA-GFCCVEGCSA-N -1 0 316.307 3.381 20 30 DGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1C[C@@H]1C(C)C ZINC001573378473 1191430676 /nfs/dbraw/zinc/43/06/76/1191430676.db2.gz MQIPGGOHZILXAX-ZIAGYGMSSA-N -1 0 318.369 3.319 20 30 DGEDRM N#Cc1ccc([O-])c(NC(=O)CCC[C@@H](O)c2ccccc2)c1 ZINC001624288018 1193990875 /nfs/dbraw/zinc/99/08/75/1193990875.db2.gz SMKVCXHGMWHSQU-MRXNPFEDSA-N -1 0 310.353 3.106 20 30 DGEDRM Cc1[nH]c(C#N)cc1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC001624341713 1193993391 /nfs/dbraw/zinc/99/33/91/1193993391.db2.gz KDAJGDGTYTYQAN-UHFFFAOYSA-N -1 0 310.140 3.460 20 30 DGEDRM Cc1ccc2ccnc(NC(=O)c3ccc(C#N)c([O-])c3)c2c1 ZINC001628023575 1194155298 /nfs/dbraw/zinc/15/52/98/1194155298.db2.gz UUKAIQHSUWFOHN-UHFFFAOYSA-N -1 0 303.321 3.373 20 30 DGEDRM C=C[C@@H](C)O[N-]C(=O)CSc1ccccc1Br ZINC001628287152 1194171003 /nfs/dbraw/zinc/17/10/03/1194171003.db2.gz ODLWYAFJZVRQFU-SECBINFHSA-N -1 0 316.220 3.164 20 30 DGEDRM N#Cc1ccc(C(=O)Nc2ccccc2-c2ncco2)cc1[O-] ZINC001633453938 1194437873 /nfs/dbraw/zinc/43/78/73/1194437873.db2.gz XRXFFCOBPGJYHT-UHFFFAOYSA-N -1 0 305.293 3.171 20 30 DGEDRM Cc1coc2ccc(NC(=O)c3[n-]c(=O)c(C#N)cc3C)cc12 ZINC001634521994 1194499634 /nfs/dbraw/zinc/49/96/34/1194499634.db2.gz JABQXPDIRMQFIT-UHFFFAOYSA-N -1 0 307.309 3.274 20 30 DGEDRM CNc1ccc(C#N)cc1NC(=O)c1ncc2ccccc2c1[O-] ZINC001634989794 1194527426 /nfs/dbraw/zinc/52/74/26/1194527426.db2.gz STPASZVSTOWHMO-UHFFFAOYSA-N -1 0 318.336 3.106 20 30 DGEDRM N#Cc1cccc(O[N-]C(=O)[C@H]2[C@@H]3c4cccc(Cl)c4C[C@H]23)c1 ZINC001635511299 1194555600 /nfs/dbraw/zinc/55/56/00/1194555600.db2.gz XOUQVDXTKHYNMR-USXIJHARSA-N -1 0 324.767 3.208 20 30 DGEDRM CC(=O)c1ccc([O-])c(NC(=O)[C@H](CC#N)c2ccccc2)c1 ZINC001637579119 1194676877 /nfs/dbraw/zinc/67/68/77/1194676877.db2.gz ZCAACGVUPXYPLA-OAHLLOKOSA-N -1 0 308.337 3.231 20 30 DGEDRM N#Cc1ccc([O-])c(NC(=O)CCCC(=O)c2ccccc2)c1 ZINC001637620491 1194678462 /nfs/dbraw/zinc/67/84/62/1194678462.db2.gz SMAPITPHMMRKJQ-UHFFFAOYSA-N -1 0 308.337 3.256 20 30 DGEDRM Cc1cc(Cl)cc(C(=O)Nc2cc(C#N)ccc2[O-])c1N ZINC001637620529 1194678524 /nfs/dbraw/zinc/67/85/24/1194678524.db2.gz UKZLPSBPRZSLKG-UHFFFAOYSA-N -1 0 301.733 3.060 20 30 DGEDRM COc1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)ccc1C#N ZINC001640321644 1194806653 /nfs/dbraw/zinc/80/66/53/1194806653.db2.gz NNODEZYCLXXALL-UHFFFAOYSA-N -1 0 320.707 3.317 20 30 DGEDRM N#Cc1cccc(O[N-]C(=O)C2(c3ccc(Cl)cc3)CC2)c1 ZINC001642625761 1194923482 /nfs/dbraw/zinc/92/34/82/1194923482.db2.gz XKEFWYBTGQXXHX-UHFFFAOYSA-N -1 0 312.756 3.353 20 30 DGEDRM N#Cc1cccc2c1CN(C(=O)c1cc(F)c([O-])c(Cl)c1)C2 ZINC001644202125 1195089254 /nfs/dbraw/zinc/08/92/54/1195089254.db2.gz IFOKNIJRKOTHAT-UHFFFAOYSA-N -1 0 316.719 3.212 20 30 DGEDRM C=C(C)CO[N-]C(=O)C(F)(F)c1cccc(Br)c1 ZINC001644319670 1195097625 /nfs/dbraw/zinc/09/76/25/1195097625.db2.gz IFQNDVIAJLJBFK-UHFFFAOYSA-N -1 0 320.133 3.165 20 30 DGEDRM CCc1cccc2c(CC(=O)[N-]Oc3cccc(C#N)c3)c[nH]c21 ZINC001648729366 1195326027 /nfs/dbraw/zinc/32/60/27/1195326027.db2.gz JZAREQPZOPAGIX-UHFFFAOYSA-N -1 0 319.364 3.255 20 30 DGEDRM N#Cc1ccc(C(=O)Nc2cc(F)cc(OC(F)F)c2)cc1[O-] ZINC001650625347 1195365464 /nfs/dbraw/zinc/36/54/64/1195365464.db2.gz FPORNASEDBVQRJ-UHFFFAOYSA-N -1 0 322.242 3.257 20 30 DGEDRM Cc1cc(F)c(C#N)cc1NC(=O)c1s[n-]c(=O)c1Cl ZINC001651372568 1195451677 /nfs/dbraw/zinc/45/16/77/1195451677.db2.gz NYIPRKAAAVQPBU-UHFFFAOYSA-N -1 0 311.725 3.074 20 30 DGEDRM N#Cc1ccc(C(=O)Nc2cc(Cl)cc3c[nH]nc32)cc1[O-] ZINC001653558286 1195734432 /nfs/dbraw/zinc/73/44/32/1195734432.db2.gz KQKORXINDWUWKD-UHFFFAOYSA-N -1 0 312.716 3.046 20 30 DGEDRM C=CCC[C@H](NS(=O)(=O)c1ccccc1[O-])c1ccccc1 ZINC001668152200 1197401839 /nfs/dbraw/zinc/40/18/39/1197401839.db2.gz QWSHUUDIYRTOCX-HNNXBMFYSA-N -1 0 317.410 3.378 20 30 DGEDRM C=CCON=C([O-])Nc1nnc(SCc2ccccc2)s1 ZINC001672715048 1197620425 /nfs/dbraw/zinc/62/04/25/1197620425.db2.gz BBBZVWNIOOTSEA-UHFFFAOYSA-N -1 0 322.415 3.070 20 30 DGEDRM Cc1csc(CCC/N=C/c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000102200250 1199427792 /nfs/dbraw/zinc/42/77/92/1199427792.db2.gz FWAYOTUOKRLUPS-OVCLIPMQSA-N -1 0 305.359 3.117 20 30 DGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(-c2ccccc2)s1 ZINC000193485786 1201276796 /nfs/dbraw/zinc/27/67/96/1201276796.db2.gz MYEBPELTUCDLHU-ZDUSSCGKSA-N -1 0 312.394 3.262 20 30 DGEDRM CCOc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cn1 ZINC000179988271 1204327848 /nfs/dbraw/zinc/32/78/48/1204327848.db2.gz FAPHYQPOEJLGKN-GFCCVEGCSA-N -1 0 307.309 3.112 20 30 DGEDRM C#Cc1ccc(NC(=O)c2coc(/C=C\C(=O)[O-])c2)c(Cl)c1 ZINC001602706995 971340641 /nfs/dbraw/zinc/34/06/41/971340641.db2.gz GYDIRSSLOFVSJU-XQRVVYSFSA-N -1 0 315.712 3.264 20 30 DGEDRM C=C(Cl)CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001602712210 971354403 /nfs/dbraw/zinc/35/44/03/971354403.db2.gz KIWSCQVKUWGHTO-UHFFFAOYSA-N -1 0 307.108 3.051 20 30 DGEDRM C=CC[C@H](C(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC001602717192 971364488 /nfs/dbraw/zinc/36/44/88/971364488.db2.gz CMTQUKASWYSGQD-HOCLYGCPSA-N -1 0 301.386 3.060 20 30 DGEDRM C=CCCC1(CNC(=O)Nc2ccnc(C(=O)[O-])c2)CCCC1 ZINC001602718775 971377302 /nfs/dbraw/zinc/37/73/02/971377302.db2.gz ABYHGCLMYAQNCE-UHFFFAOYSA-N -1 0 317.389 3.428 20 30 DGEDRM C=CCN(CC1CCCCC1)C(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001602722875 971389906 /nfs/dbraw/zinc/38/99/06/971389906.db2.gz WWPPBXJGBXUIOG-INIZCTEOSA-N -1 0 307.434 3.472 20 30 DGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(-c2ccccc2)c1 ZINC001602781812 971526258 /nfs/dbraw/zinc/52/62/58/971526258.db2.gz KBEQXDWOBDNPMX-GOSISDBHSA-N -1 0 308.337 3.297 20 30 DGEDRM CC(C)[C@H](CNc1cc(Br)ccc1C#N)C(=O)[O-] ZINC000122961339 949248409 /nfs/dbraw/zinc/24/84/09/949248409.db2.gz KBKQVASVKGRSIX-NSHDSACASA-N -1 0 311.179 3.089 20 30 DGEDRM CCc1ccc(C#CC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC001593634081 953599661 /nfs/dbraw/zinc/59/96/61/953599661.db2.gz YHLCGSLQCCBAEI-UHFFFAOYSA-N -1 0 321.376 3.256 20 30 DGEDRM C[C@@](CNc1snc(Cl)c1C#N)(C(=O)[O-])c1ccccc1 ZINC001589072810 955788619 /nfs/dbraw/zinc/78/86/19/955788619.db2.gz DEHUQPJBMIFSMA-AWEZNQCLSA-N -1 0 321.789 3.123 20 30 DGEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1sccc1C(=O)[O-] ZINC001589079363 955840718 /nfs/dbraw/zinc/84/07/18/955840718.db2.gz ONVSYHKQRWFKES-SNVBAGLBSA-N -1 0 314.366 3.135 20 30 DGEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001589079631 955841840 /nfs/dbraw/zinc/84/18/40/955841840.db2.gz UJQMPZLWHSEUGR-GFCCVEGCSA-N -1 0 308.337 3.074 20 30 DGEDRM N#C[C@H](CCc1ccccc1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001594601884 956140639 /nfs/dbraw/zinc/14/06/39/956140639.db2.gz RZISWTWQAQLIRW-INIZCTEOSA-N -1 0 322.364 3.025 20 30 DGEDRM N#CCCC[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001594609244 956191928 /nfs/dbraw/zinc/19/19/28/956191928.db2.gz YUBFONXZYYNIEB-ARFHVFGLSA-N -1 0 314.385 3.039 20 30 DGEDRM N#CCCc1ccc(NC(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC001594609944 956197019 /nfs/dbraw/zinc/19/70/19/956197019.db2.gz FXMIIUQONPROPL-UHFFFAOYSA-N -1 0 323.352 3.163 20 30 DGEDRM N#Cc1cc(C(F)(F)F)cc(NCc2cccc(C(=O)[O-])c2)n1 ZINC001594615957 956236245 /nfs/dbraw/zinc/23/62/45/956236245.db2.gz GDYRJZWPHZMZCP-UHFFFAOYSA-N -1 0 321.258 3.282 20 30 DGEDRM C[C@H](c1cccc(C#N)c1)N(C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001589174764 956484986 /nfs/dbraw/zinc/48/49/86/956484986.db2.gz HBICYTUDIBHSFJ-GFCCVEGCSA-N -1 0 323.352 3.481 20 30 DGEDRM C=CCC(C)(C)CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000389709806 972242825 /nfs/dbraw/zinc/24/28/25/972242825.db2.gz MHPXFGDDSGLZIV-UHFFFAOYSA-N -1 0 312.316 3.387 20 30 DGEDRM C=CCCC(C)(C)NC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001339956859 957914591 /nfs/dbraw/zinc/91/45/91/957914591.db2.gz AFONSTJVVUXDLK-CABCVRRESA-N -1 0 316.401 3.344 20 30 DGEDRM C=CCCCN(CC)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001341379583 957989642 /nfs/dbraw/zinc/98/96/42/957989642.db2.gz BEUOCZPXUFBFTD-SFHVURJKSA-N -1 0 318.417 3.027 20 30 DGEDRM C#CCN(CC(=O)[O-])Cc1cc(-c2ccccc2C)ccc1OC ZINC001588424719 958219369 /nfs/dbraw/zinc/21/93/69/958219369.db2.gz WRKPQXKFFFNABW-UHFFFAOYSA-N -1 0 323.392 3.190 20 30 DGEDRM C#CCOc1ccc(NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC001588433363 958295750 /nfs/dbraw/zinc/29/57/50/958295750.db2.gz KDHIMLBDOXZSTC-UHFFFAOYSA-N -1 0 324.336 3.349 20 30 DGEDRM C=C(C)CN1CC[C@H](C(=O)[O-])c2cc(Br)ccc21 ZINC001588440108 958327833 /nfs/dbraw/zinc/32/78/33/958327833.db2.gz NJKAKZCEPYAPOL-NSHDSACASA-N -1 0 310.191 3.404 20 30 DGEDRM C=C(C)c1cccc(NC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC001588444742 958366888 /nfs/dbraw/zinc/36/68/88/958366888.db2.gz PWMFSXWPTXQGRY-SWLSCSKDSA-N -1 0 302.374 3.294 20 30 DGEDRM C=C[C@@H](CC(=O)Nc1ccc(O)c(C(=O)[O-])c1)c1ccccc1 ZINC001588450769 958398534 /nfs/dbraw/zinc/39/85/34/958398534.db2.gz BIQLANZQGQPHDV-LBPRGKRZSA-N -1 0 311.337 3.389 20 30 DGEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC001588458403 958462016 /nfs/dbraw/zinc/46/20/16/958462016.db2.gz UOIHHEWWDYOCQX-ILXRZTDVSA-N -1 0 310.438 3.167 20 30 DGEDRM C=CCCN(OCc1ccccc1)C(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC001573328445 958500028 /nfs/dbraw/zinc/50/00/28/958500028.db2.gz IEHGJPRBVPFEGS-HNNXBMFYSA-N -1 0 319.401 3.270 20 30 DGEDRM C=CCCc1ccccc1NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001573328971 958504621 /nfs/dbraw/zinc/50/46/21/958504621.db2.gz TTYLJXMZZWOMIU-HUUCEWRRSA-N -1 0 317.385 3.014 20 30 DGEDRM C=CCc1ccc(OC(=O)[C@@H](C(=O)[O-])C2CCCC2)c(OC)c1 ZINC001588470451 958528273 /nfs/dbraw/zinc/52/82/73/958528273.db2.gz NHCSOLRBXILELD-MRXNPFEDSA-N -1 0 318.369 3.220 20 30 DGEDRM C=CCn1ncc2ccc(NC(=O)c3cccc(C(=O)[O-])c3)cc21 ZINC001588475294 958561801 /nfs/dbraw/zinc/56/18/01/958561801.db2.gz XNRRCFWIVHKPCU-UHFFFAOYSA-N -1 0 321.336 3.173 20 30 DGEDRM Cc1cccc([C@@H](NC(=O)Nc2ccc(CC#N)cc2)C(=O)[O-])c1 ZINC001594395511 958767304 /nfs/dbraw/zinc/76/73/04/958767304.db2.gz BTNHHLPUKSXORJ-MRXNPFEDSA-N -1 0 323.352 3.009 20 30 DGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(-c2ccco2)cc1F ZINC001588542066 958968617 /nfs/dbraw/zinc/96/86/17/958968617.db2.gz RJAWGSQUGYJTIO-INIZCTEOSA-N -1 0 316.288 3.029 20 30 DGEDRM C[C@H](C(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC001588575357 959217054 /nfs/dbraw/zinc/21/70/54/959217054.db2.gz LSTNKXVYTAOULZ-NSHDSACASA-N -1 0 310.309 3.010 20 30 DGEDRM C[C@](NCc1ccc(Cl)cc1C#N)(C(=O)[O-])c1ccccc1 ZINC001573631053 959553158 /nfs/dbraw/zinc/55/31/58/959553158.db2.gz NNFBLCDZTNCXMC-QGZVFWFLSA-N -1 0 314.772 3.301 20 30 DGEDRM O=C([O-])COc1ccc(/C=C\C(=O)c2ccc(F)cc2F)cc1 ZINC000211156489 959678215 /nfs/dbraw/zinc/67/82/15/959678215.db2.gz WAGHFNKLDOCFDP-BAQGIRSFSA-N -1 0 318.275 3.324 20 30 DGEDRM Cc1c(Cl)cnc(NCc2ccc(C(=O)[O-])cc2)c1C#N ZINC001574303852 960726565 /nfs/dbraw/zinc/72/65/65/960726565.db2.gz DOQPDGKYMJVYTG-UHFFFAOYSA-N -1 0 301.733 3.225 20 30 DGEDRM 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962912180 /nfs/dbraw/zinc/91/21/80/962912180.db2.gz OOHVUESLVSXLQT-UHFFFAOYSA-N -1 0 302.374 3.136 20 30 DGEDRM C=C[C@@H](CC)CC(=O)Oc1cc(/C=C/C(=O)[O-])ccc1OC ZINC001573347428 962946830 /nfs/dbraw/zinc/94/68/30/962946830.db2.gz KPSSHDFOKMFYFX-CRALRDPISA-N -1 0 304.342 3.301 20 30 DGEDRM C=CCC(F)(F)C(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC001573351265 962976393 /nfs/dbraw/zinc/97/63/93/962976393.db2.gz RSZBOXNAHLDMFL-AWEZNQCLSA-N -1 0 319.307 3.293 20 30 DGEDRM C=CCCC[C@@H](NC(=O)Cc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001573357673 963019132 /nfs/dbraw/zinc/01/91/32/963019132.db2.gz QNOGRJCTZCDATJ-MRXNPFEDSA-N -1 0 317.429 3.452 20 30 DGEDRM C#CCCCCC(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001588440902 964046922 /nfs/dbraw/zinc/04/69/22/964046922.db2.gz XACWAGSETYTIJT-INIZCTEOSA-N -1 0 300.354 3.499 20 30 DGEDRM C#CCCCCNC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001588441161 964049298 /nfs/dbraw/zinc/04/92/98/964049298.db2.gz BESFLEATMNGMTR-UHFFFAOYSA-N -1 0 310.353 3.463 20 30 DGEDRM 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C[C@H](Cc1ccc(NC(=O)Nc2cccc(C#N)c2)cc1)C(=O)[O-] ZINC001592874132 979738922 /nfs/dbraw/zinc/73/89/22/979738922.db2.gz YDPXXSLRVRKVOE-GFCCVEGCSA-N -1 0 323.352 3.465 20 30 DGEDRM C[C@H](NC(=O)CCc1ccccc1C(=O)[O-])c1ccc(C#N)cc1 ZINC001593020256 980279764 /nfs/dbraw/zinc/27/97/64/980279764.db2.gz ZSCBSBWMEFDZFG-ZDUSSCGKSA-N -1 0 322.364 3.066 20 30 DGEDRM CCC[C@@H](C(=O)N(CC#N)CCC(=O)[O-])c1cccc(Cl)c1 ZINC001595533154 981374818 /nfs/dbraw/zinc/37/48/18/981374818.db2.gz SUJPHTOKVDOKED-CQSZACIVSA-N -1 0 322.792 3.051 20 30 DGEDRM CCC[C@@H](CC1CCCCC1)C(=O)N(CC#N)CCC(=O)[O-] ZINC001595587150 981539371 /nfs/dbraw/zinc/53/93/71/981539371.db2.gz CRLOBGIZMZWBKI-HNNXBMFYSA-N -1 0 308.422 3.200 20 30 DGEDRM CC[C@@H](C(=O)[O-])C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC001594761553 981693974 /nfs/dbraw/zinc/69/39/74/981693974.db2.gz FNGJECDERFEDDX-MRXNPFEDSA-N -1 0 324.336 3.400 20 30 DGEDRM CCCCCCCCNC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001595704766 982279960 /nfs/dbraw/zinc/27/99/60/982279960.db2.gz 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20 30 DGEDRM Cc1cc(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)ccc1C(=O)[O-] ZINC001574333413 960902630 /nfs/dbraw/zinc/90/26/30/960902630.db2.gz PHRQUDARLOWYKK-ZDUSSCGKSA-N -1 0 322.364 3.382 20 30 DGEDRM CCc1cc(C#N)c(NC(=O)Cc2ccccc2C(=O)[O-])s1 ZINC001573953615 961655710 /nfs/dbraw/zinc/65/57/10/961655710.db2.gz UIVJMNWWIMNORF-UHFFFAOYSA-N -1 0 314.366 3.062 20 30 DGEDRM N#Cc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1Cl ZINC001574485676 961677301 /nfs/dbraw/zinc/67/73/01/961677301.db2.gz JXWSGYRQEOYWQI-UHFFFAOYSA-N -1 0 300.701 3.162 20 30 DGEDRM C=CCSc1ccccc1C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001345171213 962253741 /nfs/dbraw/zinc/25/37/41/962253741.db2.gz PDFJEVBJSSCONP-GXTWGEPZSA-N -1 0 319.426 3.338 20 30 DGEDRM C=C(C)C[C@@H](NC(=O)c1[nH]c2ccc(C)cc2c1Cl)C(=O)[O-] ZINC001351730289 962621126 /nfs/dbraw/zinc/62/11/26/962621126.db2.gz VSZXQGXSAANJRK-GFCCVEGCSA-N -1 0 320.776 3.279 20 30 DGEDRM C#C[C@H](NC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1ccccc1 ZINC001573302472 962653259 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DGEDRM CCCCC[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)C(=O)[O-] ZINC001595681718 982163607 /nfs/dbraw/zinc/16/36/07/982163607.db2.gz UTBUEGOUSNIULB-HNNXBMFYSA-N -1 0 316.401 3.251 20 30 DGEDRM CCCCCCCC(=O)N1CCOc2ccccc2[C@H]1C(=O)[O-] ZINC001595702104 982261100 /nfs/dbraw/zinc/26/11/00/982261100.db2.gz DCSIZKIQLPWUAH-KRWDZBQOSA-N -1 0 319.401 3.394 20 30 DGEDRM CCCCNN=C(C)c1cnc2sc(C(=O)[O-])c(C)c2c1 ZINC001595759303 982465577 /nfs/dbraw/zinc/46/55/77/982465577.db2.gz WAXMSGKOIFAALL-UHFFFAOYSA-N -1 0 305.403 3.417 20 30 DGEDRM CCCCO[C@H]1C[C@H](Nc2ccc(C(=O)[O-])nc2C#N)C1(C)C ZINC001595771179 982518619 /nfs/dbraw/zinc/51/86/19/982518619.db2.gz WSLFLWKXCSVVRQ-GJZGRUSLSA-N -1 0 317.389 3.047 20 30 DGEDRM CC[C@@H](C)c1ccc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001595010149 982939217 /nfs/dbraw/zinc/93/92/17/982939217.db2.gz NUDNVPOPQUKNRV-CYBMUJFWSA-N -1 0 314.385 3.031 20 30 DGEDRM C=C1CCC(C(=O)N[C@H](CC(=O)[O-])c2ccc(C)cc2)CC1 ZINC001119574325 982986957 /nfs/dbraw/zinc/98/69/57/982986957.db2.gz 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C#Cc1ccccc1CC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001588529326 983581016 /nfs/dbraw/zinc/58/10/16/983581016.db2.gz XEDIDRYQNYAUKI-UHFFFAOYSA-N -1 0 313.740 3.201 20 30 DGEDRM C=C(C)[C@@H](CC(=O)N(CCC(=O)[O-])c1ccccc1C)OCC ZINC001588529754 983582156 /nfs/dbraw/zinc/58/21/56/983582156.db2.gz FLLBKPIYCGKIMM-MRXNPFEDSA-N -1 0 319.401 3.174 20 30 DGEDRM C=C(C)C(C)(C)C(=O)N1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001588529905 983582794 /nfs/dbraw/zinc/58/27/94/983582794.db2.gz KWTWBSARGPONFE-NSHDSACASA-N -1 0 322.430 3.150 20 30 DGEDRM C=C(C)C[C@H](NC(=O)C1(Cc2ccccc2Cl)CC1)C(=O)[O-] ZINC001588536790 983595798 /nfs/dbraw/zinc/59/57/98/983595798.db2.gz FCZDTTCJYZNKGN-AWEZNQCLSA-N -1 0 321.804 3.198 20 30 DGEDRM C=C(C)C[C@@H](NC(=O)c1ccnc(SC(C)(C)C)c1)C(=O)[O-] ZINC001588548678 983624700 /nfs/dbraw/zinc/62/47/00/983624700.db2.gz SIBPNKXYPMASDP-GFCCVEGCSA-N -1 0 322.430 3.121 20 30 DGEDRM C=C(C)C[C@H](Nc1nc(C)nc2sc3c(c21)CCC3)C(=O)[O-] ZINC001588554387 983630515 /nfs/dbraw/zinc/63/05/15/983630515.db2.gz GQNVMZNLPAFYOJ-NSHDSACASA-N -1 0 317.414 3.320 20 30 DGEDRM C=C(C)C[C@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)[O-] ZINC001588555108 983633041 /nfs/dbraw/zinc/63/30/41/983633041.db2.gz ZAZUGBPIEZKSQX-JTQLQIEISA-N -1 0 307.331 3.036 20 30 DGEDRM C=C(C)CN(Cc1ccc(CO)o1)[C@H](C(=O)[O-])c1ccsc1 ZINC001588567285 983646615 /nfs/dbraw/zinc/64/66/15/983646615.db2.gz JBLWEEOIAHOUQC-HNNXBMFYSA-N -1 0 321.398 3.037 20 30 DGEDRM C=C(C)CNC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001588585152 983663111 /nfs/dbraw/zinc/66/31/11/983663111.db2.gz KZWHDNSXTXONIN-UHFFFAOYSA-N -1 0 308.403 3.092 20 30 DGEDRM C=C(CC(C)C)C(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001588605473 983693134 /nfs/dbraw/zinc/69/31/34/983693134.db2.gz ISBNXEFOHLAUNY-QGZVFWFLSA-N -1 0 323.820 3.444 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)N(CC)c1cccc(C(F)(F)F)c1 ZINC001588611945 983700992 /nfs/dbraw/zinc/70/09/92/983700992.db2.gz CMSNWYDTWNKEAX-UHFFFAOYSA-N -1 0 315.291 3.479 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)N1CC=C(c2cccc(C)c2C)CC1 ZINC001588613639 983704824 /nfs/dbraw/zinc/70/48/24/983704824.db2.gz AUESGBKSZVOHAR-UHFFFAOYSA-N -1 0 313.397 3.340 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)N1CCC(c2cc(C)ccc2C)CC1 ZINC001588613953 983705872 /nfs/dbraw/zinc/70/58/72/983705872.db2.gz HRQYTQBAXWBNCI-UHFFFAOYSA-N -1 0 315.413 3.430 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@@]1(C)Cc1ccccc1F ZINC001588615263 983710961 /nfs/dbraw/zinc/71/09/61/983710961.db2.gz OODLQMFCPIZKGI-SFHVURJKSA-N -1 0 319.376 3.170 20 30 DGEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001588644533 983770293 /nfs/dbraw/zinc/77/02/93/983770293.db2.gz YVKZFQTZCHMHGT-IYBDPMFKSA-N -1 0 314.385 3.419 20 30 DGEDRM C=C1CCC(CNC(=O)Nc2cc(C(=O)[O-])cnc2Cl)CC1 ZINC001588649889 983770890 /nfs/dbraw/zinc/77/08/90/983770890.db2.gz KKYMVSNGTUNTSC-UHFFFAOYSA-N -1 0 323.780 3.301 20 30 DGEDRM C=C[C@H](C(=O)NC[C@H](CC1CCCC1)C(=O)[O-])c1ccccc1 ZINC001588663428 983794939 /nfs/dbraw/zinc/79/49/39/983794939.db2.gz FXKCXOTYGATDEZ-IRXDYDNUSA-N -1 0 315.413 3.354 20 30 DGEDRM C=C[C@@H](C(=O)N[C@H](CC(=O)[O-])C1CCCC1)c1ccccc1 ZINC001588663691 983795998 /nfs/dbraw/zinc/79/59/98/983795998.db2.gz JKWPWCFPSBZOEF-HZPDHXFCSA-N -1 0 301.386 3.106 20 30 DGEDRM C=CC(C)(C)CCCNC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001588672897 983827804 /nfs/dbraw/zinc/82/78/04/983827804.db2.gz DFWUHAQNWJQVNQ-DYVFJYSZSA-N -1 0 308.422 3.018 20 30 DGEDRM C=CC(C)(C)CNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC001588681228 983839307 /nfs/dbraw/zinc/83/93/07/983839307.db2.gz RIICVGVNLAUFIX-NSHDSACASA-N -1 0 307.415 3.194 20 30 DGEDRM C=C[C@@](C)(CC)C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC001588682559 983843965 /nfs/dbraw/zinc/84/39/65/983843965.db2.gz NSBKPVYUYOBCSN-HNNXBMFYSA-N -1 0 319.386 3.377 20 30 DGEDRM C=C[C@](C)(CC)C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC001588682560 983844098 /nfs/dbraw/zinc/84/40/98/983844098.db2.gz NSBKPVYUYOBCSN-OAHLLOKOSA-N -1 0 319.386 3.377 20 30 DGEDRM C=C[C@](C)(CC)C(=O)Oc1ccc(/C=C/C(=O)[O-])cc1OC ZINC001588683259 983847486 /nfs/dbraw/zinc/84/74/86/983847486.db2.gz WFOGSGYGUMSSKI-SYJIQKIWSA-N -1 0 304.342 3.301 20 30 DGEDRM C=C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1N)c1ccccc1 ZINC001588691230 983879422 /nfs/dbraw/zinc/87/94/22/983879422.db2.gz UWUUJLJIIWSDPN-LBPRGKRZSA-N -1 0 310.353 3.265 20 30 DGEDRM C=C[C@@H](CC)CC(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001588691300 983879981 /nfs/dbraw/zinc/87/99/81/983879981.db2.gz XDBVLVPAISNZRS-SJCJKPOMSA-N -1 0 323.820 3.444 20 30 DGEDRM C=C[C@H](CC)CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001588691312 983880247 /nfs/dbraw/zinc/88/02/47/983880247.db2.gz XNLOPFPVQHSMJE-SNVBAGLBSA-N -1 0 306.318 3.142 20 30 DGEDRM C=C[C@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)[O-] ZINC001588702325 983919896 /nfs/dbraw/zinc/91/98/96/983919896.db2.gz QFWVYFWJWFCOOF-KRWDZBQOSA-N -1 0 308.337 3.188 20 30 DGEDRM C=C[C@H](Nc1cccc(OCc2cccc(F)c2)c1)C(=O)[O-] ZINC001588702737 983921478 /nfs/dbraw/zinc/92/14/78/983921478.db2.gz XEVPBFYTAFZFHE-INIZCTEOSA-N -1 0 301.317 3.456 20 30 DGEDRM C=C[C@H]1CCCCN1C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC001588719643 983962345 /nfs/dbraw/zinc/96/23/45/983962345.db2.gz WPCVFPINDSZTOP-WFASDCNBSA-N -1 0 302.374 3.447 20 30 DGEDRM C=CC[C@@H](C(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC001588720646 983968964 /nfs/dbraw/zinc/96/89/64/983968964.db2.gz CXLXDSWOFYGSIG-QZTJIDSGSA-N -1 0 323.392 3.331 20 30 DGEDRM C=CC[C@@H](C(=O)NCc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC001588720998 983970800 /nfs/dbraw/zinc/97/08/00/983970800.db2.gz KRWZWBSIRAUCSB-CQSZACIVSA-N -1 0 315.394 3.422 20 30 DGEDRM C=CC[C@@H](C(=O)O[C@H](C)c1nc(C(=O)[O-])co1)c1ccccc1 ZINC001588731604 984009403 /nfs/dbraw/zinc/00/94/03/984009403.db2.gz LETFUCZKKAOCLX-DGCLKSJQSA-N -1 0 315.325 3.337 20 30 DGEDRM C=CC[C@H](CC)NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001588735601 984019860 /nfs/dbraw/zinc/01/98/60/984019860.db2.gz GBRGTUZYKVJJSE-LSDHHAIUSA-N -1 0 318.417 3.492 20 30 DGEDRM C=CCC(F)(F)C(=O)O[C@H](C(=O)[O-])c1ccccc1Cl ZINC001588743217 984036713 /nfs/dbraw/zinc/03/67/13/984036713.db2.gz UZEHOSHGWGXEDZ-JTQLQIEISA-N -1 0 304.676 3.220 20 30 DGEDRM C=CCC(F)(F)C(=O)N(CC(=O)[O-])[C@H](CC)c1ccccc1 ZINC001588744557 984043302 /nfs/dbraw/zinc/04/33/02/984043302.db2.gz OQSKEDLNZVGBEP-CYBMUJFWSA-N -1 0 311.328 3.262 20 30 DGEDRM C=CC[C@H](Sc1nc2sc(C)c(C)c2c(N)n1)C(=O)[O-] ZINC001588758916 984108796 /nfs/dbraw/zinc/10/87/96/984108796.db2.gz MAXYGIWIJNXOEY-QMMMGPOBSA-N -1 0 309.416 3.012 20 30 DGEDRM C=CCC1(C(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)CCCC1 ZINC001588762024 984114731 /nfs/dbraw/zinc/11/47/31/984114731.db2.gz FQJBXISJWJGIBH-INIZCTEOSA-N -1 0 315.413 3.416 20 30 DGEDRM C=CC[C@@H](Sc1nncn1-c1cccc(Cl)c1)C(=O)[O-] ZINC001588763273 984118708 /nfs/dbraw/zinc/11/87/08/984118708.db2.gz RJMOWUIWWJCBKP-LLVKDONJSA-N -1 0 309.778 3.042 20 30 DGEDRM C=CCC1(C(=O)N[C@@](C)(CC(=O)[O-])c2ccncc2)CCCC1 ZINC001588763290 984119546 /nfs/dbraw/zinc/11/95/46/984119546.db2.gz SGSCXBGHPFESIW-KRWDZBQOSA-N -1 0 316.401 3.024 20 30 DGEDRM C=CCC1(C(=O)OCc2nc(C(=O)[O-])cs2)CCCCC1 ZINC001588767160 984129037 /nfs/dbraw/zinc/12/90/37/984129037.db2.gz MRFGPMNREUCISV-UHFFFAOYSA-N -1 0 309.387 3.411 20 30 DGEDRM C=CC[C@H]1CCN1C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001588773035 984146389 /nfs/dbraw/zinc/14/63/89/984146389.db2.gz VDSGYKYMDHFAII-SOUVJXGZSA-N -1 0 300.358 3.057 20 30 DGEDRM C=CCCC(C)(C)CNC(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC001588776815 984153651 /nfs/dbraw/zinc/15/36/51/984153651.db2.gz HWFJNKFXJSYBLM-UHFFFAOYSA-N -1 0 308.378 3.078 20 30 DGEDRM C=CCC[C@@H](C(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccccc1 ZINC001588776926 984154091 /nfs/dbraw/zinc/15/40/91/984154091.db2.gz NCYXAKANOSPQMN-HZPDHXFCSA-N -1 0 301.386 3.202 20 30 DGEDRM C=CCCCC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001588782359 984171527 /nfs/dbraw/zinc/17/15/27/984171527.db2.gz CYQJVLHUXTZJAX-UHFFFAOYSA-N -1 0 301.342 3.146 20 30 DGEDRM C=CCCCC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001588783029 984176137 /nfs/dbraw/zinc/17/61/37/984176137.db2.gz UOYSRZPANMLLGT-UHFFFAOYSA-N -1 0 313.300 3.324 20 30 DGEDRM C=CCCC[C@H](NC(=O)CCc1ccc(Cl)cc1)C(=O)[O-] ZINC001588788471 984190285 /nfs/dbraw/zinc/19/02/85/984190285.db2.gz DAAMIAXMXADLRM-AWEZNQCLSA-N -1 0 309.793 3.198 20 30 DGEDRM C=CCCC[C@H](NC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1)C(=O)[O-] ZINC001588788850 984193876 /nfs/dbraw/zinc/19/38/76/984193876.db2.gz PUZAZLXVIMAXDV-QEJZJMRPSA-N -1 0 319.401 3.261 20 30 DGEDRM C=CCCC[C@H](NC(=O)/C=C/Sc1ccccc1)C(=O)[O-] ZINC001588790049 984203259 /nfs/dbraw/zinc/20/32/59/984203259.db2.gz PDLOIHRZGAZZNT-GETOMWPZSA-N -1 0 305.399 3.218 20 30 DGEDRM C=CCCC[C@@H](NC(=O)c1ccc(OC2CCC2)cc1)C(=O)[O-] ZINC001588792944 984214136 /nfs/dbraw/zinc/21/41/36/984214136.db2.gz HSJHQGLRQAEBCY-MRXNPFEDSA-N -1 0 317.385 3.157 20 30 DGEDRM C=CCCC[C@@H](NC(=O)c1ccccc1OC(C)C)C(=O)[O-] ZINC001588793340 984218414 /nfs/dbraw/zinc/21/84/14/984218414.db2.gz OHTNNZVMPITCEH-CQSZACIVSA-N -1 0 305.374 3.013 20 30 DGEDRM C=CCCC[C@@H](NC(=O)c1sccc1-n1cccc1)C(=O)[O-] ZINC001588797990 984232797 /nfs/dbraw/zinc/23/27/97/984232797.db2.gz QJKZMBYGEOMWLN-GFCCVEGCSA-N -1 0 318.398 3.078 20 30 DGEDRM C=CCCCCCCCNC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001588798528 984236468 /nfs/dbraw/zinc/23/64/68/984236468.db2.gz IWJXIISBEXTSNY-FPCVCCKLSA-N -1 0 322.449 3.312 20 30 DGEDRM C=CCCCCCCNC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001588798600 984237234 /nfs/dbraw/zinc/23/72/34/984237234.db2.gz LHLPYGMDAHDZKR-CRAIPNDOSA-N -1 0 322.449 3.409 20 30 DGEDRM C=CCCCCCN(C)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001588799792 984241782 /nfs/dbraw/zinc/24/17/82/984241782.db2.gz IBPIODZCUVKSSW-UHFFFAOYSA-N -1 0 318.417 3.315 20 30 DGEDRM C=CCCCN(CC)C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001588801506 984246298 /nfs/dbraw/zinc/24/62/98/984246298.db2.gz MOWSRDBBCCRJBX-UHFFFAOYSA-N -1 0 316.361 3.081 20 30 DGEDRM C=CCCN(OCc1ccccc1)C(=O)c1cc(C(=O)[O-])co1 ZINC001588807784 984261301 /nfs/dbraw/zinc/26/13/01/984261301.db2.gz YCMXHIAQWMWUKE-UHFFFAOYSA-N -1 0 315.325 3.128 20 30 DGEDRM C=CCCO[C@H](C)C(=O)OCc1c(Cl)cccc1C(=O)[O-] ZINC001588808477 984261695 /nfs/dbraw/zinc/26/16/95/984261695.db2.gz BMIGPLLFJLEHAA-SNVBAGLBSA-N -1 0 312.749 3.063 20 30 DGEDRM C=CCCO[C@@H](C)C(=O)Nc1ccc(OC(C)C)cc1C(=O)[O-] ZINC001588809075 984265269 /nfs/dbraw/zinc/26/52/69/984265269.db2.gz YSCOUYBCKLXKCR-LBPRGKRZSA-N -1 0 321.373 3.092 20 30 DGEDRM C=CCCc1ccccc1NC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001588817828 984278019 /nfs/dbraw/zinc/27/80/19/984278019.db2.gz WRRWQWWBPSFBMT-UHFFFAOYSA-N -1 0 313.357 3.486 20 30 DGEDRM C=CCN(CC1CCCCC1)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001588824087 984296289 /nfs/dbraw/zinc/29/62/89/984296289.db2.gz RCENTAGGBJHOAJ-UHFFFAOYSA-N -1 0 317.389 3.380 20 30 DGEDRM C=CCN(CCC#N)Cc1ccc(C(=O)[O-])c(Br)c1 ZINC001588826576 984304496 /nfs/dbraw/zinc/30/44/96/984304496.db2.gz LCWFQRZNTAQIKQ-UHFFFAOYSA-N -1 0 323.190 3.049 20 30 DGEDRM C=CCN(Cc1ccccc1)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001588832342 984321372 /nfs/dbraw/zinc/32/13/72/984321372.db2.gz DZCDFQGATYEKCB-CVEARBPZSA-N -1 0 316.401 3.028 20 30 DGEDRM C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(/C=C\C(=O)[O-])o1 ZINC001588836655 984328634 /nfs/dbraw/zinc/32/86/34/984328634.db2.gz DOMQFEOYGGTTQM-SECOEOQKSA-N -1 0 324.336 3.130 20 30 DGEDRM C=CCn1c(SC/C(C)=C\C(=O)[O-])nnc1-c1ccccc1 ZINC001588907156 984538317 /nfs/dbraw/zinc/53/83/17/984538317.db2.gz DICLIPWLNRXLSP-BENRWUELSA-N -1 0 315.398 3.254 20 30 DGEDRM C=CCn1cnnc1S[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001588909342 984543669 /nfs/dbraw/zinc/54/36/69/984543669.db2.gz QEGRENJAEDIXKG-NSHDSACASA-N -1 0 309.778 3.036 20 30 DGEDRM CC(=[NH+][N-]c1cccc(F)c1C(=O)[O-])c1ccc(N)cc1C ZINC001589017608 985004759 /nfs/dbraw/zinc/00/47/59/985004759.db2.gz VZIKZUJFCROMBM-UHFFFAOYSA-N -1 0 301.321 3.251 20 30 DGEDRM Cc1c(C#N)cccc1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001599973150 986042158 /nfs/dbraw/zinc/04/21/58/986042158.db2.gz KIGXSVGPNKFOJM-LBPRGKRZSA-N -1 0 322.364 3.382 20 30 DGEDRM Cc1c(C#N)cccc1-c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC001599973147 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ZINC001588676809 983831336 /nfs/dbraw/zinc/83/13/36/983831336.db2.gz CKFWKFMGBCAGJB-AWEZNQCLSA-N -1 0 318.417 3.350 20 30 DGEDRM C=CC(C)(C)CCNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001588676871 983832059 /nfs/dbraw/zinc/83/20/59/983832059.db2.gz GZGGCAKITGMQFM-UHFFFAOYSA-N -1 0 312.316 3.387 20 30 DGEDRM C=CC(C)(C)CCNC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001588677173 983833777 /nfs/dbraw/zinc/83/37/77/983833777.db2.gz VUCPTEQRCHGJEZ-UHFFFAOYSA-N -1 0 312.316 3.387 20 30 DGEDRM C=CC(C)(C)CCNC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001588677125 983834006 /nfs/dbraw/zinc/83/40/06/983834006.db2.gz SERHKOGXVXLIPQ-UHFFFAOYSA-N -1 0 308.353 3.177 20 30 DGEDRM C=C[C@H](CC)CC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001588691350 983880098 /nfs/dbraw/zinc/88/00/98/983880098.db2.gz YTUCSDINTVHHIR-OTYXRUKQSA-N -1 0 313.756 3.323 20 30 DGEDRM C=C[C@H](CC)CC(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001588693011 983889372 /nfs/dbraw/zinc/88/93/72/983889372.db2.gz PANHCDHYFXWTNS-SECBINFHSA-N -1 0 309.387 3.060 20 30 DGEDRM C=C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)cc1C)C(=O)[O-] ZINC001588702596 983921643 /nfs/dbraw/zinc/92/16/43/983921643.db2.gz VSJOKSVSZSUUGT-QGZVFWFLSA-N -1 0 322.364 3.497 20 30 DGEDRM C=C[C@H](Nc1ccc(OCc2cccc(C#N)c2)cc1C)C(=O)[O-] ZINC001588702595 983921688 /nfs/dbraw/zinc/92/16/88/983921688.db2.gz VSJOKSVSZSUUGT-KRWDZBQOSA-N -1 0 322.364 3.497 20 30 DGEDRM C=C[C@@H](Sc1nnc([C@H](CC)c2ccccc2)o1)C(=O)[O-] ZINC001588715592 983956424 /nfs/dbraw/zinc/95/64/24/983956424.db2.gz ZYPSGCSQRUIVHH-VXGBXAGGSA-N -1 0 304.371 3.343 20 30 DGEDRM C=C[C@@H]1CCCCN1C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC001588719637 983962281 /nfs/dbraw/zinc/96/22/81/983962281.db2.gz WPCVFPINDSZTOP-IUODEOHRSA-N -1 0 302.374 3.447 20 30 DGEDRM C=CC[C@H](C(=O)[O-])N(CC)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001588729460 983990036 /nfs/dbraw/zinc/99/00/36/983990036.db2.gz QQGXBDODWKHZHQ-WCQYABFASA-N -1 0 308.447 3.119 20 30 DGEDRM C=CC[C@@H](CC)NC(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001588736232 984023211 /nfs/dbraw/zinc/02/32/11/984023211.db2.gz UXLCAAWAYPQEDJ-HUUCEWRRSA-N -1 0 304.390 3.165 20 30 DGEDRM C=CCC(F)(F)C(=O)O[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001588743218 984036428 /nfs/dbraw/zinc/03/64/28/984036428.db2.gz UZEHOSHGWGXEDZ-SNVBAGLBSA-N -1 0 304.676 3.220 20 30 DGEDRM C=CCC(F)(F)C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001588743546 984038411 /nfs/dbraw/zinc/03/84/11/984038411.db2.gz ZWIIJCHGITVAJF-JTQLQIEISA-N -1 0 304.676 3.220 20 30 DGEDRM C=CC[C@H](OC(=O)C[C@@H](c1ccccc1)C(F)(F)F)C(=O)[O-] ZINC001588754387 984093856 /nfs/dbraw/zinc/09/38/56/984093856.db2.gz ZFKVKAYTDQFXOB-RYUDHWBXSA-N -1 0 316.275 3.295 20 30 DGEDRM C=CCC1(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)CCC1 ZINC001588765244 984125600 /nfs/dbraw/zinc/12/56/00/984125600.db2.gz UNUCDWWCOLLXSU-UHFFFAOYSA-N -1 0 303.358 3.225 20 30 DGEDRM C=CCC1(NC(=O)Nc2ccc(C(=O)[O-])nc2)CCCCC1 ZINC001588767391 984130593 /nfs/dbraw/zinc/13/05/93/984130593.db2.gz ZFSBWCKDHGEIIV-UHFFFAOYSA-N -1 0 303.362 3.180 20 30 DGEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001588771148 984138732 /nfs/dbraw/zinc/13/87/32/984138732.db2.gz PQCPDIQSBYMKOK-YPMHNXCESA-N -1 0 322.430 3.380 20 30 DGEDRM C=CCC[C@@H](C(=O)NCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001588776993 984154619 /nfs/dbraw/zinc/15/46/19/984154619.db2.gz PSQLDSYCNWGEJI-OAHLLOKOSA-N -1 0 313.353 3.344 20 30 DGEDRM C=CCC[C@H]1CCCN1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001588782186 984171036 /nfs/dbraw/zinc/17/10/36/984171036.db2.gz RSSRRGMKQMNCKB-LBPRGKRZSA-N -1 0 306.337 3.486 20 30 DGEDRM C=CCCC[C@H](NC(=O)C(F)(F)c1ccc(C)cc1)C(=O)[O-] ZINC001588785581 984181639 /nfs/dbraw/zinc/18/16/39/984181639.db2.gz JASGAGWDKDBQAW-ZDUSSCGKSA-N -1 0 311.328 3.013 20 30 DGEDRM C=CCCC[C@H](NC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1)C(=O)[O-] ZINC001588788852 984193793 /nfs/dbraw/zinc/19/37/93/984193793.db2.gz PUZAZLXVIMAXDV-YUELXQCFSA-N -1 0 319.401 3.261 20 30 DGEDRM C=CCCC[C@H](NC(=O)Cc1cccc2ccccc21)C(=O)[O-] ZINC001588789081 984196185 /nfs/dbraw/zinc/19/61/85/984196185.db2.gz XPAPGBPNJNXCTN-KRWDZBQOSA-N -1 0 311.381 3.308 20 30 DGEDRM C=CCCC[C@@H](NC(=O)CC(C)(C)c1ccccc1)C(=O)[O-] ZINC001588789538 984199193 /nfs/dbraw/zinc/19/91/93/984199193.db2.gz DSRWEYHIVFKQFT-OAHLLOKOSA-N -1 0 303.402 3.280 20 30 DGEDRM C=CCCC[C@H](NC(=O)c1c(F)ccc(F)c1Cl)C(=O)[O-] ZINC001588793769 984221956 /nfs/dbraw/zinc/22/19/56/984221956.db2.gz AOIOLXADEGISSI-JTQLQIEISA-N -1 0 317.719 3.158 20 30 DGEDRM C=CCCCCSc1nc2nc(C)cc(C(=O)[O-])c2c(=O)[nH]1 ZINC001588802398 984248887 /nfs/dbraw/zinc/24/88/87/984248887.db2.gz JORPWIPZJMLKIU-UHFFFAOYSA-N -1 0 319.386 3.185 20 30 DGEDRM C=CCOc1cccc(N[C@@H](C(=O)[O-])c2cccc(OC)c2)c1 ZINC001588872900 984443086 /nfs/dbraw/zinc/44/30/86/984443086.db2.gz RVNJALVONIXLCV-QGZVFWFLSA-N -1 0 313.353 3.498 20 30 DGEDRM C=CCSc1ccccc1C(=O)OCC1(CC(=O)[O-])CC1 ZINC001588879829 984459623 /nfs/dbraw/zinc/45/96/23/984459623.db2.gz RVEPZFJVTRADSV-UHFFFAOYSA-N -1 0 306.383 3.376 20 30 DGEDRM C=CCn1c([C@@H](C)CC)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588896563 984502699 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CC(=NOCCCC(C)(F)F)c1ccc(OCC(=O)[O-])cc1 ZINC001589020969 985009073 /nfs/dbraw/zinc/00/90/73/985009073.db2.gz HWROUJCBTSUVMK-UHFFFAOYSA-N -1 0 315.316 3.326 20 30 DGEDRM Cc1[nH]c(C(=O)[C@@H](C)SCC2(C#N)CCC2)c(C)c1C(=O)[O-] ZINC001599948287 985566309 /nfs/dbraw/zinc/56/63/09/985566309.db2.gz LUCLWQPSRPRLEP-LLVKDONJSA-N -1 0 320.414 3.328 20 30 DGEDRM CCOCCC1(CNc2ccc(C(=O)[O-])nc2C#N)CCCC1 ZINC001596905016 985885993 /nfs/dbraw/zinc/88/59/93/985885993.db2.gz NTAZSBZYYSZOJE-UHFFFAOYSA-N -1 0 317.389 3.050 20 30 DGEDRM C[C@H](C#N)CN(C)C(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001589328724 986159938 /nfs/dbraw/zinc/15/99/38/986159938.db2.gz GWIAZAJKSLBJPI-SECBINFHSA-N -1 0 317.370 3.223 20 30 DGEDRM C[C@H](C#N)CN(C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)C1CC1 ZINC001589329882 986167846 /nfs/dbraw/zinc/16/78/46/986167846.db2.gz VNNLYDXIHCRTKF-SECBINFHSA-N -1 0 321.764 3.194 20 30 DGEDRM C[C@@H](C#N)CN(C)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001589330075 986169238 /nfs/dbraw/zinc/16/92/38/986169238.db2.gz 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ZINC001594724692 987221907 /nfs/dbraw/zinc/22/19/07/987221907.db2.gz BBHGMHKNJSHSQD-CQSZACIVSA-N -1 0 311.341 3.073 20 30 DGEDRM C[C@H](C(=O)[O-])n1cccc1C=NN1CCC(C(C)(C)C)CC1 ZINC001589539047 987233366 /nfs/dbraw/zinc/23/33/66/987233366.db2.gz AHDIXKZUANGSED-CYBMUJFWSA-N -1 0 305.422 3.226 20 30 DGEDRM CCc1[nH]c(C(=O)O[C@H]2CC[C@@](C)(C#N)CC2)c(C)c1C(=O)[O-] ZINC001597380343 987572427 /nfs/dbraw/zinc/57/24/27/987572427.db2.gz GYYLQARZCNGNKG-OYHSWFHJSA-N -1 0 318.373 3.213 20 30 DGEDRM CC(C)(C(=O)Oc1cccc(C(=O)[O-])c1)c1ccc(C#N)cc1 ZINC001589682036 987716747 /nfs/dbraw/zinc/71/67/47/987716747.db2.gz MUZOERLIVXZTLW-UHFFFAOYSA-N -1 0 309.321 3.140 20 30 DGEDRM CCc1cc(C#N)c(NC(=O)/C=C/c2cc(C(=O)[O-])co2)s1 ZINC001597424862 987749766 /nfs/dbraw/zinc/74/97/66/987749766.db2.gz YRZDQSGQAGAYFR-ONEGZZNKSA-N -1 0 316.338 3.125 20 30 DGEDRM CSCc1cnc(C=NNc2ccc(C)c(C(=O)[O-])c2)s1 ZINC001599803812 988221562 /nfs/dbraw/zinc/22/15/62/988221562.db2.gz AJEFAWNXSXXVAY-UHFFFAOYSA-N -1 0 321.427 3.459 20 30 DGEDRM CCc1ccc(NC(=O)/C=C\c2ccccc2C#N)c(C(=O)[O-])c1 ZINC001597543065 988236297 /nfs/dbraw/zinc/23/62/97/988236297.db2.gz QRRFDUMACKSBBC-NTMALXAHSA-N -1 0 320.348 3.471 20 30 DGEDRM CCn1nc(C)c(C(=O)/C=C/c2cc(C(=O)[O-])oc2C)c1C ZINC001597928102 989880820 /nfs/dbraw/zinc/88/08/20/989880820.db2.gz HKDJBYXHDNJIKL-VOTSOKGWSA-N -1 0 302.330 3.016 20 30 DGEDRM CC(C)(C)Oc1ccc(NC(=O)CCCCC(=O)[O-])cc1C#N ZINC001590409385 989946395 /nfs/dbraw/zinc/94/63/95/989946395.db2.gz PWQWNVZUKATLPG-UHFFFAOYSA-N -1 0 318.373 3.319 20 30 DGEDRM CC(C)(C)c1c[nH]c(S[C@H](C(=O)[O-])c2ccc(C#N)cc2)n1 ZINC001590452167 990017333 /nfs/dbraw/zinc/01/73/33/990017333.db2.gz ZPWWRDWSDAFDIP-ZDUSSCGKSA-N -1 0 315.398 3.497 20 30 DGEDRM CC(C)(C)c1ccc(C#N)c(N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)n1 ZINC001590472407 990044754 /nfs/dbraw/zinc/04/47/54/990044754.db2.gz PIAISXIZDWMNIG-SYQHCUMBSA-N -1 0 313.401 3.162 20 30 DGEDRM CC(C)(CCN=Nc1ccc(C#N)c(C(F)(F)F)c1)C(=O)[O-] ZINC001590653685 990343328 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COc1ccc2c(c1)C(=O)/C(=C\c1cc(C(=O)[O-])co1)CCO2 ZINC001599626815 994160844 /nfs/dbraw/zinc/16/08/44/994160844.db2.gz ZZTQEDGKPNZOAU-POHAHGRESA-N -1 0 314.293 3.035 20 30 DGEDRM C[C@@H](Nc1cc(F)ccc1C#N)c1ccc(OCC(=O)[O-])cc1 ZINC001593359302 995014256 /nfs/dbraw/zinc/01/42/56/995014256.db2.gz AWUUNUTULLPOSZ-LLVKDONJSA-N -1 0 314.316 3.334 20 30 DGEDRM C[C@@H](Nc1ccc(F)cc1OCC#N)c1ncc(C(=O)[O-])s1 ZINC001593363521 995037627 /nfs/dbraw/zinc/03/76/27/995037627.db2.gz SCLSGMJEEYHJRO-MRVPVSSYSA-N -1 0 321.333 3.056 20 30 DGEDRM C[C@H](Nc1cccc(F)c1C#N)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593366045 995046840 /nfs/dbraw/zinc/04/68/40/995046840.db2.gz PJEMZFPWAQGBLK-JSGCOSHPSA-N -1 0 312.344 3.441 20 30 DGEDRM CC1(C)C(N=Nc2cccc(C(=O)[O-])c2F)[C@H]2CCCO[C@@H]21 ZINC001593815170 996548527 /nfs/dbraw/zinc/54/85/27/996548527.db2.gz GCCNFCCFJIDLJN-YGRLFVJLSA-N -1 0 306.337 3.127 20 30 DGEDRM CC1(C)CCC[C@@H]1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001593897909 996759175 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Cc1ncccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362116632 433533636 /nfs/dbraw/zinc/53/36/36/433533636.db2.gz HRRVAFSCLZXJRN-GFCCVEGCSA-N -1 0 305.259 3.294 20 30 DGEDRM CC(C)n1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cn1 ZINC000362190646 433575709 /nfs/dbraw/zinc/57/57/09/433575709.db2.gz QCSZXPMZDQUKMK-LBPRGKRZSA-N -1 0 322.290 3.368 20 30 DGEDRM C=CCC(CC=C)C(=O)NC[C@@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC000448998141 433647710 /nfs/dbraw/zinc/64/77/10/433647710.db2.gz VZBDZSZCUYMLQA-GOSISDBHSA-N -1 0 319.376 3.053 20 30 DGEDRM N#Cc1ccc(CNC(=O)CC2(C(=O)[O-])CCCCCC2)s1 ZINC000421808307 433737158 /nfs/dbraw/zinc/73/71/58/433737158.db2.gz RFLQLUSHWYBWNM-UHFFFAOYSA-N -1 0 320.414 3.051 20 30 DGEDRM N#Cc1ccc(C(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1[O-] ZINC000427643276 433744725 /nfs/dbraw/zinc/74/47/25/433744725.db2.gz YHQDKLHMBYUQER-UHFFFAOYSA-N -1 0 318.376 3.494 20 30 DGEDRM C=C(C)[C@H]([N-]c1nnc(C(F)F)o1)c1ccc(F)c(F)c1 ZINC000432140958 433819697 /nfs/dbraw/zinc/81/96/97/433819697.db2.gz 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N#CC(=C([O-])c1cnc(-c2cccnc2)s1)c1ccccn1 ZINC000556504515 435010526 /nfs/dbraw/zinc/01/05/26/435010526.db2.gz KQWUGIHBUMCEKH-LBPRGKRZSA-N -1 0 306.350 3.090 20 30 DGEDRM C=C[C@@H](CC(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccccc1 ZINC000580155077 435208739 /nfs/dbraw/zinc/20/87/39/435208739.db2.gz GVJLJSRQKGKWGX-CABCVRRESA-N -1 0 301.386 3.060 20 30 DGEDRM C=CCN(Cc1nc(C(=O)[O-])cs1)Cc1ccc(OC)cc1 ZINC000565101844 435276898 /nfs/dbraw/zinc/27/68/98/435276898.db2.gz YVFASFHOAUKOKN-UHFFFAOYSA-N -1 0 318.398 3.038 20 30 DGEDRM Cc1nsc(C)c1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000566892015 435289506 /nfs/dbraw/zinc/28/95/06/435289506.db2.gz BOODGPIJYQCTHR-NSHDSACASA-N -1 0 310.382 3.137 20 30 DGEDRM CC(C)(C)n1cnc(C([O-])=C(C#N)c2ccc3ccccc3n2)n1 ZINC000643674721 435357771 /nfs/dbraw/zinc/35/77/71/435357771.db2.gz RPENPJGENGRKIJ-ZDUSSCGKSA-N -1 0 319.368 3.071 20 30 DGEDRM CCCc1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)n[nH]1 ZINC000643778389 435370901 /nfs/dbraw/zinc/37/09/01/435370901.db2.gz 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435958174 /nfs/dbraw/zinc/95/81/74/435958174.db2.gz XXBJPHBHGAWVEA-GJZGRUSLSA-N -1 0 305.418 3.296 20 30 DGEDRM C=CCC1(NC(=O)NC[C@@H](C(=O)[O-])C2CCC2)CCCCC1 ZINC000665317916 435945685 /nfs/dbraw/zinc/94/56/85/435945685.db2.gz KRHMSRALLDHFLB-CQSZACIVSA-N -1 0 308.422 3.066 20 30 DGEDRM COCc1cncc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC000647379184 436035305 /nfs/dbraw/zinc/03/53/05/436035305.db2.gz KIXUNNRTFRDQTL-ZDUSSCGKSA-N -1 0 313.382 3.052 20 30 DGEDRM C=CCCc1ccccc1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000647702146 436107272 /nfs/dbraw/zinc/10/72/72/436107272.db2.gz CHGPLVPMCNBZBX-KGLIPLIRSA-N -1 0 302.374 3.180 20 30 DGEDRM C=CCC[C@@H](NC(=O)N[C@@H](C)c1cc2ccccc2o1)C(=O)[O-] ZINC000654793527 436465972 /nfs/dbraw/zinc/46/59/72/436465972.db2.gz BXIUDAKBBFHQPR-WCQYABFASA-N -1 0 316.357 3.212 20 30 DGEDRM CC(C)(C)n1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)n1 ZINC000654972136 436480262 /nfs/dbraw/zinc/48/02/62/436480262.db2.gz DJMFHKPZLRMESJ-LLVKDONJSA-N -1 0 308.341 3.269 20 30 DGEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000659406293 436504685 /nfs/dbraw/zinc/50/46/85/436504685.db2.gz LUQQZIYNMKDERF-PPWQZUPISA-N -1 0 308.422 3.064 20 30 DGEDRM N#Cc1cnc2ccc(Cl)cc2c1N1CCC[C@H](C(=O)[O-])C1 ZINC000263409041 303213588 /nfs/dbraw/zinc/21/35/88/303213588.db2.gz LQXPGXZCRZMWOI-JTQLQIEISA-N -1 0 315.760 3.061 20 30 DGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/[C@@H]2CCC[C@@H]3OCC[C@@H]32)c1[O-] ZINC000155084038 304799235 /nfs/dbraw/zinc/79/92/35/304799235.db2.gz CVLGOISIPGRSTA-FWWUZYMKSA-N -1 0 324.764 3.330 20 30 DGEDRM O=C(NC1CCC(F)(F)CC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000330511318 304801879 /nfs/dbraw/zinc/80/18/79/304801879.db2.gz RFHPBEAQWIVDLR-UHFFFAOYSA-N -1 0 300.261 3.183 20 30 DGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)c1c([O-])cccc1F ZINC000132980734 312656557 /nfs/dbraw/zinc/65/65/57/312656557.db2.gz GVKYIILQIYTAGC-UHFFFAOYSA-N -1 0 314.316 3.442 20 30 DGEDRM C=CCC(C)(C)C(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C ZINC000570526497 332767971 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C=CCC[C@@H](NC(=O)N[C@@H]1CC(C)(C)c2ccccc21)C(=O)[O-] ZINC000582829845 337206543 /nfs/dbraw/zinc/20/65/43/337206543.db2.gz OODJXIVJXMTMNR-HUUCEWRRSA-N -1 0 316.401 3.128 20 30 DGEDRM C[C@H]1CCc2onc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)c2C1 ZINC000574995195 337670778 /nfs/dbraw/zinc/67/07/78/337670778.db2.gz ALECRSIRBXFLAM-JQWIXIFHSA-N -1 0 320.352 3.166 20 30 DGEDRM O=C([O-])[C@H]1CC[C@H]1C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000507371252 340218315 /nfs/dbraw/zinc/21/83/15/340218315.db2.gz YQJKJNCOPGTXJS-MSOLQXFVSA-N -1 0 319.360 3.136 20 30 DGEDRM C=C(C)COc1cccc(NC(=O)N[C@@H](CCC)C(=O)[O-])c1 ZINC000516886182 340457877 /nfs/dbraw/zinc/45/78/77/340457877.db2.gz XKCIIZZEDKQUCT-AWEZNQCLSA-N -1 0 306.362 3.016 20 30 DGEDRM CCSc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)ccn1 ZINC000543581680 341049607 /nfs/dbraw/zinc/04/96/07/341049607.db2.gz OASMSSWLQAXWFE-CYBMUJFWSA-N -1 0 312.398 3.091 20 30 DGEDRM Cc1ncc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C2CC2)n1 ZINC000545266173 341118161 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C=C(CCC(=O)[O-])C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC001602786147 1192997567 /nfs/dbraw/zinc/99/75/67/1192997567.db2.gz WPLFNUJRBRNKKM-UHFFFAOYSA-N -1 0 301.264 3.151 20 30 DGEDRM C=CC[C@@H](C)Sc1nc2c(cc1-c1nn[nH]n1)CCCC2 ZINC001602810999 1192997995 /nfs/dbraw/zinc/99/79/95/1192997995.db2.gz CGOGTUAUGNKLKN-SNVBAGLBSA-N -1 0 301.419 3.197 20 30 DGEDRM C=C[C@@H](C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC001602801284 1192998005 /nfs/dbraw/zinc/99/80/05/1192998005.db2.gz PXYMGQDSDUAYRE-GDBMZVCRSA-N -1 0 307.349 3.171 20 30 DGEDRM C=C[C@@H](C(=O)N1C[C@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC001602801291 1192998217 /nfs/dbraw/zinc/99/82/17/1192998217.db2.gz PXYMGQDSDUAYRE-ZBFHGGJFSA-N -1 0 307.349 3.171 20 30 DGEDRM C=C[C@@H](C(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001602803378 1192998355 /nfs/dbraw/zinc/99/83/55/1192998355.db2.gz AYKRMYNJSCNIQZ-QGZVFWFLSA-N -1 0 309.365 3.013 20 30 DGEDRM C=C[C@H](NCc1nc(-c2cc3ccccc3o2)cs1)C(=O)[O-] ZINC001602818541 1192998593 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/nfs/dbraw/zinc/96/39/56/1192963956.db2.gz RPQQSDBFCORVGL-UHFFFAOYSA-N -1 0 324.315 3.156 20 30 DGEDRM O=C([O-])c1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2Cl)c[nH]1 ZINC001602255038 1192964787 /nfs/dbraw/zinc/96/47/87/1192964787.db2.gz XTBAQDVXWNSTJQ-DAFODLJHSA-N -1 0 320.688 3.171 20 30 DGEDRM CCn1ccnc1[C@H](C#N)C(=O)c1cc(Br)cs1 ZINC001345646062 1179586664 /nfs/dbraw/zinc/58/66/64/1179586664.db2.gz DSNAPOKOKOSGRD-SECBINFHSA-N -1 0 324.203 3.217 20 30 DGEDRM CC(C)c1ccc(C(=O)[C@@H](C#N)c2ncc(Cl)n2C)nc1 ZINC001345644396 1179586819 /nfs/dbraw/zinc/58/68/19/1179586819.db2.gz ZFSRCTQOXWAGSR-LLVKDONJSA-N -1 0 302.765 3.082 20 30 DGEDRM N#CC(=C([O-])c1c(Cl)n[nH]c1C1CC1)c1ncc(F)cc1F ZINC001346000240 1179636459 /nfs/dbraw/zinc/63/64/59/1179636459.db2.gz PVVPTIIGVOCRNT-MRVPVSSYSA-N -1 0 322.702 3.104 20 30 DGEDRM O=C([O-])c1ccc(/C=C2\COc3ccc(Cl)cc3C2=O)o1 ZINC001602331558 1192970590 /nfs/dbraw/zinc/97/05/90/1192970590.db2.gz IMMGZWBPRHQHED-VMPITWQZSA-N -1 0 304.685 3.290 20 30 DGEDRM Cc1ccoc1C([O-])=C(C#N)c1nccn1Cc1ccccc1 ZINC001347063132 1179773169 /nfs/dbraw/zinc/77/31/69/1179773169.db2.gz HXHAWEAQKAYLNT-OAHLLOKOSA-N -1 0 305.337 3.323 20 30 DGEDRM N#CC(=C([O-])c1csc([C@@H]2CCCO2)n1)c1cccc(F)n1 ZINC001347125879 1179781094 /nfs/dbraw/zinc/78/10/94/1179781094.db2.gz YIIHNLIWIBXOGU-SKDRFNHKSA-N -1 0 317.345 3.019 20 30 DGEDRM N#CC(=C([O-])c1csc(C2CC2)n1)c1ncc(F)cc1F ZINC001347992710 1179824915 /nfs/dbraw/zinc/82/49/15/1179824915.db2.gz IMJFZNMWVJBFFK-SECBINFHSA-N -1 0 305.309 3.184 20 30 DGEDRM O=C([O-])c1coc(/C=C/C(=O)c2c(Cl)nc3sccn32)c1 ZINC001602554031 1192987871 /nfs/dbraw/zinc/98/78/71/1192987871.db2.gz SYOAINWFEOUICH-OWOJBTEDSA-N -1 0 322.729 3.237 20 30 DGEDRM C#CCC(C)(C)C(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C ZINC001602681059 1192994428 /nfs/dbraw/zinc/99/44/28/1192994428.db2.gz ANNZXXXRDMQYKV-UHFFFAOYSA-N -1 0 313.353 3.140 20 30 DGEDRM C#C[C@H]1CCCCN1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001602676821 1192993868 /nfs/dbraw/zinc/99/38/68/1192993868.db2.gz IZQVNAVQFJQTFW-NSHDSACASA-N -1 0 306.749 3.058 20 30 DGEDRM C#Cc1ccc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)c(Cl)c1 ZINC001602738854 1192995412 /nfs/dbraw/zinc/99/54/12/1192995412.db2.gz PGUSDSSXHUSHAA-YVMONPNESA-N -1 0 315.712 3.264 20 30 DGEDRM C#Cc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC001602739001 1192995430 /nfs/dbraw/zinc/99/54/30/1192995430.db2.gz WPAGFIYAXRPARS-CXAGYDPISA-N -1 0 322.364 3.251 20 30 DGEDRM C#Cc1cccc(CNC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c1 ZINC001602742100 1192995532 /nfs/dbraw/zinc/99/55/32/1192995532.db2.gz DQJDPKGZWMHVDQ-UHFFFAOYSA-N -1 0 322.364 3.305 20 30 DGEDRM C=C(C)C[C@@H](NC(=O)CCCc1ccc(CCC)cc1)C(=O)[O-] ZINC001602750195 1192996105 /nfs/dbraw/zinc/99/61/05/1192996105.db2.gz OXKCKSAZJMNSDA-QGZVFWFLSA-N -1 0 317.429 3.497 20 30 DGEDRM C=C(C)C[C@@H](NC(=O)c1cc2ccnc(Cl)c2s1)C(=O)[O-] ZINC001602754813 1192996334 /nfs/dbraw/zinc/99/63/34/1192996334.db2.gz WHATWNKFKXBSCR-SECBINFHSA-N -1 0 324.789 3.099 20 30 DGEDRM C=C(C)C[C@@H](NC(=O)c1ccnc2cc(Cl)ccc21)C(=O)[O-] ZINC001602754750 1192996476 /nfs/dbraw/zinc/99/64/76/1192996476.db2.gz SZMOLOSVWJBLDT-CQSZACIVSA-N -1 0 318.760 3.037 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)N(C)CC(C)(C)c1ccc(C)cc1 ZINC001602774750 1192996926 /nfs/dbraw/zinc/99/69/26/1192996926.db2.gz VVIZIMNHNKOFPU-UHFFFAOYSA-N -1 0 303.402 3.152 20 30 DGEDRM C=C(C)CN(CC)C(=O)[C@H](C)S[C@@H](CCCC)C(=O)[O-] ZINC001602762153 1192997037 /nfs/dbraw/zinc/99/70/37/1192997037.db2.gz UNSDDIMDOQGDHM-STQMWFEESA-N -1 0 301.452 3.176 20 30 DGEDRM C=C(C)CCC(=O)Oc1cc(Br)cc(C(=O)[O-])c1 ZINC001602761033 1192997082 /nfs/dbraw/zinc/99/70/82/1192997082.db2.gz QXPQMRJIZDLSEB-UHFFFAOYSA-N -1 0 313.147 3.409 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC001602785969 1192997418 /nfs/dbraw/zinc/99/74/18/1192997418.db2.gz SQJVNZBQTRGLLI-UHFFFAOYSA-N -1 0 310.353 3.032 20 30 DGEDRM C=CC(C)(C)CC(=O)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001602805585 1192997909 /nfs/dbraw/zinc/99/79/09/1192997909.db2.gz BZQJWHABXZMHQQ-LLVKDONJSA-N -1 0 322.430 3.150 20 30 DGEDRM C=CC(C)(C)CCNC(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001602807293 1192998047 /nfs/dbraw/zinc/99/80/47/1192998047.db2.gz HAORBNNZYAEPFC-UHFFFAOYSA-N -1 0 310.438 3.313 20 30 DGEDRM C=CCC(C)(C)C(=O)Nc1ccc(C2CC2)c(-c2nn[nH]n2)c1 ZINC001602808776 1192998171 /nfs/dbraw/zinc/99/81/71/1192998171.db2.gz KSMDWMXDHFIXMQ-UHFFFAOYSA-N -1 0 311.389 3.285 20 30 DGEDRM C=C[C@H]1CCCCN1C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001602828353 1192998729 /nfs/dbraw/zinc/99/87/29/1192998729.db2.gz CORNJDILVUGVJE-LBPRGKRZSA-N -1 0 313.357 3.439 20 30 DGEDRM C=CCC(CC=C)C(=O)Nc1cccnc1SCCC(=O)[O-] ZINC001602837356 1192999698 /nfs/dbraw/zinc/99/96/98/1192999698.db2.gz NRMIWGXBOQZJJU-UHFFFAOYSA-N -1 0 320.414 3.355 20 30 DGEDRM C=CC[C@H]1CCN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)C1 ZINC001602855555 1192999985 /nfs/dbraw/zinc/99/99/85/1192999985.db2.gz UFYZSQSTISQTLV-AWEZNQCLSA-N -1 0 302.374 3.134 20 30 DGEDRM C=CC[C@H]1CCCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001602855483 1193000000 /nfs/dbraw/zinc/00/00/00/1193000000.db2.gz RVRXXRORXHRLLA-JTQLQIEISA-N -1 0 324.327 3.483 20 30 DGEDRM C=CCC1(NC(=O)Cc2ccc(C(=O)[O-])cc2)CCCCC1 ZINC001602851288 1193000094 /nfs/dbraw/zinc/00/00/94/1193000094.db2.gz GSKLDOCJWWGSTA-UHFFFAOYSA-N -1 0 301.386 3.323 20 30 DGEDRM C=CCC1(C(=O)Nc2ccc(OCC(=O)[O-])cc2)CCCC1 ZINC001602850031 1193000265 /nfs/dbraw/zinc/00/02/65/1193000265.db2.gz RIUYLPTYIPSLCF-UHFFFAOYSA-N -1 0 303.358 3.225 20 30 DGEDRM C=CC[C@H]1N(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CCCC1(C)C ZINC001602854999 1193000349 /nfs/dbraw/zinc/00/03/49/1193000349.db2.gz DMGVEZTYGMKJOH-NPSOMJIGSA-N -1 0 320.433 3.016 20 30 DGEDRM C=CCC1(CNC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)CCCC1 ZINC001602849134 1193000418 /nfs/dbraw/zinc/00/04/18/1193000418.db2.gz DAAPEWDSUPJIKD-KDOFPFPSSA-N -1 0 320.433 3.162 20 30 DGEDRM C=CCCC[C@@H](NC(=O)C[C@H](C)c1ccccc1F)C(=O)[O-] ZINC001602862609 1193000669 /nfs/dbraw/zinc/00/06/69/1193000669.db2.gz GMEAGUKPTGMPLR-SWLSCSKDSA-N -1 0 307.365 3.245 20 30 DGEDRM C=CCCC[C@H](NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001602865635 1193000723 /nfs/dbraw/zinc/00/07/23/1193000723.db2.gz OBCWBENFXRLYNM-XHSDSOJGSA-N -1 0 316.401 3.246 20 30 DGEDRM C=CCCCC(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001602861053 1193000741 /nfs/dbraw/zinc/00/07/41/1193000741.db2.gz YQNKXODCRVWWSB-UHFFFAOYSA-N -1 0 312.163 3.442 20 30 DGEDRM C=CCCCCCN(C)C(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001602869577 1193000763 /nfs/dbraw/zinc/00/07/63/1193000763.db2.gz GAKRHHHVJOVHDL-LPHOPBHVSA-N -1 0 315.413 3.450 20 30 DGEDRM C=CCCC[C@@H](NC(=O)C1(c2cccc(Cl)c2)CC1)C(=O)[O-] ZINC001602863692 1193000820 /nfs/dbraw/zinc/00/08/20/1193000820.db2.gz RKFYSVGGJHEFIM-CQSZACIVSA-N -1 0 321.804 3.297 20 30 DGEDRM CC(C)c1ncc(C([O-])=C(C#N)c2ncc(F)cc2F)s1 ZINC001350352338 1180058618 /nfs/dbraw/zinc/05/86/18/1180058618.db2.gz AVWHHEVYUIBLBZ-VIFPVBQESA-N -1 0 307.325 3.430 20 30 DGEDRM C=CCCC[C@H](NC(=O)c1cc(C)c2ccccc2n1)C(=O)[O-] ZINC001602870784 1193001071 /nfs/dbraw/zinc/00/10/71/1193001071.db2.gz HSBCXCOGZCFOJH-HNNXBMFYSA-N -1 0 312.369 3.083 20 30 DGEDRM C=CCCC[C@@H](NC(=O)c1cccc(-n2cccc2)c1)C(=O)[O-] ZINC001602871029 1193001135 /nfs/dbraw/zinc/00/11/35/1193001135.db2.gz IWXTYAYXTFEESX-MRXNPFEDSA-N -1 0 312.369 3.017 20 30 DGEDRM C=CCCC[C@@H](NC(=O)c1ccc2nc(C)ccc2c1)C(=O)[O-] ZINC001602870353 1193001191 /nfs/dbraw/zinc/00/11/91/1193001191.db2.gz GMQYYBZPNCCCSK-MRXNPFEDSA-N -1 0 312.369 3.083 20 30 DGEDRM C=CCCC[C@@H](NC(=O)c1cc2cc(C)ccc2o1)C(=O)[O-] ZINC001602869614 1193001426 /nfs/dbraw/zinc/00/14/26/1193001426.db2.gz DAPATVDKNDLTEZ-CYBMUJFWSA-N -1 0 301.342 3.281 20 30 DGEDRM C=CCN(Cc1ccccc1F)C(=O)NCC(C)(C)CC(=O)[O-] ZINC001602894597 1193001754 /nfs/dbraw/zinc/00/17/54/1193001754.db2.gz MVVXEMHFFBWUGB-UHFFFAOYSA-N -1 0 322.380 3.024 20 30 DGEDRM C=CCN(C(=O)Nc1ccc(OCC)c(F)c1C(=O)[O-])C(C)C ZINC001602886988 1193001798 /nfs/dbraw/zinc/00/17/98/1193001798.db2.gz FOIYIRFXGMCLGL-UHFFFAOYSA-N -1 0 324.352 3.351 20 30 DGEDRM C=CCN(Cc1cccc(C(=O)[O-])n1)Cc1ccccc1F ZINC001602893863 1193001972 /nfs/dbraw/zinc/00/19/72/1193001972.db2.gz NJGXWPOULSLTLA-UHFFFAOYSA-N -1 0 300.333 3.107 20 30 DGEDRM C=CCSc1ccccc1C(=O)NCc1ccoc1C(=O)[O-] ZINC001602926044 1193002436 /nfs/dbraw/zinc/00/24/36/1193002436.db2.gz MSITZBQWZCRGQL-UHFFFAOYSA-N -1 0 317.366 3.186 20 30 DGEDRM CC(=O)c1cc(C#N)ccc1NC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001603099189 1193007383 /nfs/dbraw/zinc/00/73/83/1193007383.db2.gz BCCIFJYEOPJPRW-UHFFFAOYSA-N -1 0 322.320 3.020 20 30 DGEDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)CC#Cc1ccccc1)c1ccccc1 ZINC001603188018 1193009892 /nfs/dbraw/zinc/00/98/92/1193009892.db2.gz RVDIRIVRNVHDSK-DNVCBOLYSA-N -1 0 321.376 3.006 20 30 DGEDRM CC(C)(C#N)c1ccc(C(=O)O[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC001603230506 1193011701 /nfs/dbraw/zinc/01/17/01/1193011701.db2.gz NKEDWGNFZLMRJM-LSDHHAIUSA-N -1 0 315.369 3.288 20 30 DGEDRM CC(C)C[C@@H](CNc1nc(C(C)(C)C)ccc1C#N)C(=O)[O-] ZINC001603776119 1193031385 /nfs/dbraw/zinc/03/13/85/1193031385.db2.gz VNZHCJUWIZCKIR-ZDUSSCGKSA-N -1 0 303.406 3.410 20 30 DGEDRM CC(C)c1cccc2c1CCN(c1ccc(C(=O)[O-])nc1C#N)C2 ZINC001604009833 1193043974 /nfs/dbraw/zinc/04/39/74/1193043974.db2.gz DMCGDHFWLHDLNY-UHFFFAOYSA-N -1 0 321.380 3.338 20 30 DGEDRM CC(C)c1occc1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001604029742 1193045495 /nfs/dbraw/zinc/04/54/95/1193045495.db2.gz PCNWBDAWBQSOIT-UHFFFAOYSA-N -1 0 313.309 3.330 20 30 DGEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)OCc1cccc(C(=O)[O-])c1 ZINC001604217090 1193060761 /nfs/dbraw/zinc/06/07/61/1193060761.db2.gz FMNYQLSLLZOMES-CYBMUJFWSA-N -1 0 323.348 3.178 20 30 DGEDRM C[C@H](Oc1ccc(/C=C2/CCc3ncccc3C2=O)cc1)C(=O)[O-] ZINC001604427258 1193072578 /nfs/dbraw/zinc/07/25/78/1193072578.db2.gz NAWFDWVCOWFNBN-PBBNAPBQSA-N -1 0 323.348 3.146 20 30 DGEDRM C[C@@H](c1cccc(C#N)c1)n1cc(C2CCC(C(=O)[O-])CC2)nn1 ZINC001604468617 1193074713 /nfs/dbraw/zinc/07/47/13/1193074713.db2.gz XUJVZOYWCJERLH-GRTSSRMGSA-N -1 0 324.384 3.117 20 30 DGEDRM CC[C@@H](C(=O)[O-])C(=O)OCc1ccc(-c2ccccc2C#N)cc1 ZINC001604881071 1193098140 /nfs/dbraw/zinc/09/81/40/1193098140.db2.gz IYAJDYWKNMKIPU-INIZCTEOSA-N -1 0 323.348 3.379 20 30 DGEDRM CC[C@@H](C)n1ncc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1C ZINC001604980947 1193103419 /nfs/dbraw/zinc/10/34/19/1193103419.db2.gz MWDHHZYDMQKBCZ-BDJLRTHQSA-N -1 0 312.373 3.272 20 30 DGEDRM CCCN(Cc1ccccc1)C(=O)c1[n-]c(=O)c(C#N)cc1C ZINC001361766429 1181659085 /nfs/dbraw/zinc/65/90/85/1181659085.db2.gz YWVUWMMXUFGCBW-UHFFFAOYSA-N -1 0 309.369 3.020 20 30 DGEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@@H]1c1ccsc1 ZINC001361845480 1181660207 /nfs/dbraw/zinc/66/02/07/1181660207.db2.gz OURQPBBRNVWGIL-CYBMUJFWSA-N -1 0 313.382 3.006 20 30 DGEDRM CCc1ccc(C(C)(C)NC(=O)c2[n-]c(=O)c(C#N)cc2C)cc1 ZINC001362036551 1181662304 /nfs/dbraw/zinc/66/23/04/1181662304.db2.gz VOFNECWWVKNVOX-UHFFFAOYSA-N -1 0 323.396 3.195 20 30 DGEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC1CCC(C(C)C)CC1 ZINC001362231710 1181664419 /nfs/dbraw/zinc/66/44/19/1181664419.db2.gz QEWFQQIRCIMUCF-UHFFFAOYSA-N -1 0 315.417 3.160 20 30 DGEDRM Cc1cccc2c1CCC[C@H]2NC(=O)c1[n-]c(=O)c(C#N)cc1C ZINC001363310376 1181672727 /nfs/dbraw/zinc/67/27/27/1181672727.db2.gz ZJCMAPXLBTZLRD-MRXNPFEDSA-N -1 0 321.380 3.083 20 30 DGEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)C[C@H](C)C1CCCCC1 ZINC001364413362 1181680262 /nfs/dbraw/zinc/68/02/62/1181680262.db2.gz CIVQHWPAGTVGHK-ZDUSSCGKSA-N -1 0 315.417 3.256 20 30 DGEDRM CC[C@H](NC(=O)c1[n-]c(=O)c(C#N)cc1C)C1CCCCC1 ZINC001433637885 1181771765 /nfs/dbraw/zinc/77/17/65/1181771765.db2.gz RYPYQRKMPZUTDL-AWEZNQCLSA-N -1 0 301.390 3.056 20 30 DGEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@@H](C2CCCC2)C1 ZINC001434417541 1181773605 /nfs/dbraw/zinc/77/36/05/1181773605.db2.gz IUGAJQDPAUARLB-CQSZACIVSA-N -1 0 313.401 3.010 20 30 DGEDRM CCCC(C)(C)CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001605197329 1193126464 /nfs/dbraw/zinc/12/64/64/1193126464.db2.gz DLFIUTCQPXJRSF-HNNXBMFYSA-N -1 0 303.358 3.444 20 30 DGEDRM CCCCC[C@@H](NC(=O)C[C@@H](CC#N)c1ccccc1)C(=O)[O-] ZINC001605258001 1193135987 /nfs/dbraw/zinc/13/59/87/1193135987.db2.gz BWFOMOSLTYAOLN-HZPDHXFCSA-N -1 0 316.401 3.224 20 30 DGEDRM CCCCC[C@H](NC(=O)C[C@H](CC#N)c1ccccc1)C(=O)[O-] ZINC001605258000 1193136351 /nfs/dbraw/zinc/13/63/51/1193136351.db2.gz BWFOMOSLTYAOLN-HOTGVXAUSA-N -1 0 316.401 3.224 20 30 DGEDRM CC[C@H](C)[C@@H](C)N(C(=O)c1[n-]c(=O)c(C#N)cc1C)C1CC1 ZINC001443712378 1182107237 /nfs/dbraw/zinc/10/72/37/1182107237.db2.gz ODPSCRONLGGTIB-CMPLNLGQSA-N -1 0 301.390 3.007 20 30 DGEDRM C#CC[C@H](NC(=O)c1cc(F)cc(F)c1[O-])c1ccccc1 ZINC001446342895 1182167517 /nfs/dbraw/zinc/16/75/17/1182167517.db2.gz SUFBDMIRFHBMPX-HNNXBMFYSA-N -1 0 301.292 3.165 20 30 DGEDRM N#Cc1ccc([O-])c(NC(=O)[C@H]2[C@@H]3c4ccc(Cl)cc4C[C@H]23)c1 ZINC001447052566 1182182906 /nfs/dbraw/zinc/18/29/06/1182182906.db2.gz XALRMWDFOLYISN-IAOVAPTHSA-N -1 0 324.767 3.442 20 30 DGEDRM CCCc1occc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001605384005 1193145443 /nfs/dbraw/zinc/14/54/43/1193145443.db2.gz AGBMOCHMWYAEEA-OAHLLOKOSA-N -1 0 313.309 3.086 20 30 DGEDRM Cc1cnc(OC(C)C)c(NC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC001450110433 1182242551 /nfs/dbraw/zinc/24/25/51/1182242551.db2.gz KMSJGKQNVBTZEJ-UHFFFAOYSA-N -1 0 311.341 3.007 20 30 DGEDRM CC(=O)c1cc(F)c([O-])c(NC(=O)c2cccc(C#N)c2C)c1 ZINC001456036028 1182394480 /nfs/dbraw/zinc/39/44/80/1182394480.db2.gz UNTQWADOOWDQGV-UHFFFAOYSA-N -1 0 312.300 3.166 20 30 DGEDRM CC[C@H](C#N)NC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001605754756 1193169326 /nfs/dbraw/zinc/16/93/26/1193169326.db2.gz VSIKPMVUGUMTFF-GFCCVEGCSA-N -1 0 308.337 3.084 20 30 DGEDRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCC(C)(C)CC#N ZINC001605795219 1193174598 /nfs/dbraw/zinc/17/45/98/1193174598.db2.gz PYLBKBHSWQAFKH-UHFFFAOYSA-N -1 0 303.362 3.009 20 30 DGEDRM CN(C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)[C@H]1CCC[C@@H]1C#N ZINC001605973194 1193186683 /nfs/dbraw/zinc/18/66/83/1193186683.db2.gz WQHBYDWURNTSRM-RNCFNFMXSA-N -1 0 321.764 3.194 20 30 DGEDRM CN(Cc1cc(C#N)cs1)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001606146156 1193191498 /nfs/dbraw/zinc/19/14/98/1193191498.db2.gz UJKDWRHICJPJKY-CQSZACIVSA-N -1 0 304.346 3.017 20 30 DGEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1ccc2ccccc2c1 ZINC001463666425 1183039107 /nfs/dbraw/zinc/03/91/07/1183039107.db2.gz KREUXLPFRKGDPR-UHFFFAOYSA-N -1 0 303.321 3.373 20 30 DGEDRM Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C#N)cc1C ZINC000036157463 1193201536 /nfs/dbraw/zinc/20/15/36/1193201536.db2.gz RAKXDDYRYDONTD-UHFFFAOYSA-N -1 0 304.346 3.115 20 30 DGEDRM N#Cc1c(F)cccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000036157469 1193201549 /nfs/dbraw/zinc/20/15/49/1193201549.db2.gz KBDQTPFZNBAFFJ-UHFFFAOYSA-N -1 0 310.737 3.152 20 30 DGEDRM CO[C@H](C(=O)[O-])c1ccccc1OCc1ccc(F)cc1C#N ZINC001606652016 1193202155 /nfs/dbraw/zinc/20/21/55/1193202155.db2.gz YWTFFIMUFLPVHB-INIZCTEOSA-N -1 0 315.300 3.048 20 30 DGEDRM C=C[C@@H](C)ON=C([O-])Nc1nnc(-c2cc(F)ccc2C)s1 ZINC001466402273 1183201880 /nfs/dbraw/zinc/20/18/80/1183201880.db2.gz WVBOCQSQYLSURA-SECBINFHSA-N -1 0 322.365 3.280 20 30 DGEDRM CO[C@H]1C[C@H]2CC(N=Nc3cccc(F)c3C(=O)[O-])C[C@H]2C1 ZINC001606999619 1193209476 /nfs/dbraw/zinc/20/94/76/1193209476.db2.gz YIGOURGJIMHPLY-IAZYJMLFSA-N -1 0 306.337 3.127 20 30 DGEDRM COc1cc(C)c(/C=C/C(=O)c2cc(C(=O)[O-])co2)cc1OC ZINC001607147134 1193215293 /nfs/dbraw/zinc/21/52/93/1193215293.db2.gz JOAJIOUJQWWHSL-SNAWJCMRSA-N -1 0 316.309 3.200 20 30 DGEDRM COc1ccc(C(=O)[O-])cc1CN(CCC#N)CC(C)(C)C ZINC001607215141 1193218499 /nfs/dbraw/zinc/21/84/99/1193218499.db2.gz GDPMWNBIAQXRBY-UHFFFAOYSA-N -1 0 304.390 3.155 20 30 DGEDRM COc1ccc(CSCc2cccc(C(=O)[O-])n2)cc1C#N ZINC001607263654 1193221354 /nfs/dbraw/zinc/22/13/54/1193221354.db2.gz LVZUTVPUHLUJRJ-UHFFFAOYSA-N -1 0 314.366 3.093 20 30 DGEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC2(CCCC2)[C@H]1C(C)C ZINC001468969782 1183374154 /nfs/dbraw/zinc/37/41/54/1183374154.db2.gz WAXIKQZRQJRFJS-OAHLLOKOSA-N -1 0 313.401 3.008 20 30 DGEDRM COc1ccc(CNc2cc(C(C)=O)ccc2C#N)cc1C(=O)[O-] ZINC001607261004 1193221459 /nfs/dbraw/zinc/22/14/59/1193221459.db2.gz CZVQQMUYHQSTJC-UHFFFAOYSA-N -1 0 324.336 3.080 20 30 DGEDRM CC[C@H](CCc1ccccc1)NC(=O)c1[n-]c(=O)c(C#N)cc1C ZINC001470140168 1183463645 /nfs/dbraw/zinc/46/36/45/1183463645.db2.gz MGGKLVILLCFTGT-MRXNPFEDSA-N -1 0 323.396 3.109 20 30 DGEDRM COc1cccc(CC(=O)[O-])c1OCc1ccc(C)c(C#N)c1 ZINC001607318706 1193223814 /nfs/dbraw/zinc/22/38/14/1193223814.db2.gz NQALCQNRYAZUDC-UHFFFAOYSA-N -1 0 311.337 3.081 20 30 DGEDRM CSc1ccc(NC(=O)c2csc(C#N)c2)cc1C(=O)[O-] ZINC001607409851 1193228593 /nfs/dbraw/zinc/22/85/93/1193228593.db2.gz RNSFGDOXKMNBFK-UHFFFAOYSA-N -1 0 318.379 3.292 20 30 DGEDRM CSc1ccccc1C(=O)/C=C/c1cc(C(=O)[O-])n(C)c1 ZINC001607413077 1193229492 /nfs/dbraw/zinc/22/94/92/1193229492.db2.gz SNKROODTFJEYJZ-BQYQJAHWSA-N -1 0 301.367 3.341 20 30 DGEDRM CC(=O)c1cc(F)c([O-])c(NC(=O)c2ccc(C)c(C#N)c2)c1 ZINC001471979933 1183604977 /nfs/dbraw/zinc/60/49/77/1183604977.db2.gz ULTRJVQDPBCVHZ-UHFFFAOYSA-N -1 0 312.300 3.166 20 30 DGEDRM Cc1c(Cl)c(C(=O)[O-])nn1Cc1ccccc1C(C)(C)C#N ZINC001607528951 1193235236 /nfs/dbraw/zinc/23/52/36/1193235236.db2.gz SLGJGLVZYMXBOZ-UHFFFAOYSA-N -1 0 317.776 3.393 20 30 DGEDRM Cc1c(F)cc(C(=O)[O-])cc1OC(=O)c1cc(C#N)ccc1F ZINC001607530615 1193235798 /nfs/dbraw/zinc/23/57/98/1193235798.db2.gz DXKGODHASVHNHR-UHFFFAOYSA-N -1 0 317.247 3.062 20 30 DGEDRM Cc1cc(C(=O)N(c2cccc(C#N)c2)C2CCC2)oc1C(=O)[O-] ZINC001607569464 1193237368 /nfs/dbraw/zinc/23/73/68/1193237368.db2.gz QMLTURNWXQEJPS-UHFFFAOYSA-N -1 0 324.336 3.357 20 30 DGEDRM Cc1nn(Cc2c(C)cc(C#N)cc2C)c(C)c1[C@H](C)C(=O)[O-] ZINC001607565386 1193237703 /nfs/dbraw/zinc/23/77/03/1193237703.db2.gz JGBLPDVBKFCUHK-LBPRGKRZSA-N -1 0 311.385 3.225 20 30 DGEDRM Cc1cc(C(=O)[O-])oc1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001607602924 1193239583 /nfs/dbraw/zinc/23/95/83/1193239583.db2.gz IHNJBHQPQIRZMX-UHFFFAOYSA-N -1 0 304.689 3.064 20 30 DGEDRM Cc1cc(Cl)cc2c1O/C(=C\c1c[nH]c(C(=O)[O-])c1)C2=O ZINC001607656489 1193246358 /nfs/dbraw/zinc/24/63/58/1193246358.db2.gz ZOWWNTONNISDRQ-QCDXTXTGSA-N -1 0 303.701 3.291 20 30 DGEDRM Cc1cc([N+](=O)[O-])ccc1/C=C/C(=O)c1ccc(C(=O)[O-])cc1 ZINC001607710038 1193249686 /nfs/dbraw/zinc/24/96/86/1193249686.db2.gz SYSBHSAKUFGRFZ-VQHVLOKHSA-N -1 0 311.293 3.498 20 30 DGEDRM Cc1ccc(COc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1C#N ZINC001607784949 1193257032 /nfs/dbraw/zinc/25/70/32/1193257032.db2.gz LRPCFXRLAKQNNZ-UHFFFAOYSA-N -1 0 312.281 3.052 20 30 DGEDRM Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1cccc(C(=O)[O-])n1 ZINC001607996217 1193272377 /nfs/dbraw/zinc/27/23/77/1193272377.db2.gz MJXKYARUEZXSLG-CMDGGOBGSA-N -1 0 313.357 3.070 20 30 DGEDRM N#C[C@@H](c1ccccc1)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001608173887 1193280816 /nfs/dbraw/zinc/28/08/16/1193280816.db2.gz NWBXQAVZDJEKDL-KURKYZTESA-N -1 0 306.365 3.051 20 30 DGEDRM N#C[C@]1(C(=O)OCc2cc(C(=O)[O-])ccc2F)CC12CCCC2 ZINC001608175461 1193280891 /nfs/dbraw/zinc/28/08/91/1193280891.db2.gz BKSQFVPNBMKWGD-KRWDZBQOSA-N -1 0 317.316 3.041 20 30 DGEDRM N#CC1(CNC(=O)Nc2ccc(C(=O)[O-])cc2F)CCCCC1 ZINC001608174925 1193280928 /nfs/dbraw/zinc/28/09/28/1193280928.db2.gz IKPXXOZAJAMXCD-UHFFFAOYSA-N -1 0 319.336 3.119 20 30 DGEDRM N#CCc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2Cl)cc1 ZINC001608188362 1193281439 /nfs/dbraw/zinc/28/14/39/1193281439.db2.gz MXXMKUWFXYXUGL-UHFFFAOYSA-N -1 0 314.728 3.357 20 30 DGEDRM N#CC[C@@H](CC(=O)Oc1ccccc1CC(=O)[O-])c1ccccc1 ZINC001608179526 1193281607 /nfs/dbraw/zinc/28/16/07/1193281607.db2.gz ZOPGSEBKRZKLQK-HNNXBMFYSA-N -1 0 323.348 3.307 20 30 DGEDRM N#CCCCCC(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001608180605 1193281635 /nfs/dbraw/zinc/28/16/35/1193281635.db2.gz VDFFANDJSKFNKD-HNNXBMFYSA-N -1 0 301.342 3.389 20 30 DGEDRM N#CCCCCCC(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1 ZINC001608180120 1193281655 /nfs/dbraw/zinc/28/16/55/1193281655.db2.gz HNNGVPDEQZXXQP-OAHLLOKOSA-N -1 0 308.422 3.248 20 30 DGEDRM N#CCc1ccc(C[N@@H+]2CCc3cc(C(=O)[O-])ccc3C2)cc1 ZINC001608187847 1193281822 /nfs/dbraw/zinc/28/18/22/1193281822.db2.gz ANKPJNCTALOVPO-UHFFFAOYSA-N -1 0 306.365 3.009 20 30 DGEDRM N#Cc1cc(Cl)ccc1CON=Cc1ccc(C(=O)[O-])cc1 ZINC001608197411 1193282507 /nfs/dbraw/zinc/28/25/07/1193282507.db2.gz XTLIZRDNPGQPSW-UHFFFAOYSA-N -1 0 314.728 3.461 20 30 DGEDRM N#CCc1ccsc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001608189302 1193282637 /nfs/dbraw/zinc/28/26/37/1193282637.db2.gz LPDGANXNVZHAQI-UHFFFAOYSA-N -1 0 322.292 3.043 20 30 DGEDRM N#Cc1ccc(CNc2ccc(C(=O)[O-])cc2OCC(F)F)o1 ZINC001608207244 1193282806 /nfs/dbraw/zinc/28/28/06/1193282806.db2.gz DZYADXBQOJXORC-UHFFFAOYSA-N -1 0 322.267 3.105 20 30 DGEDRM N#Cc1ccc([C@@H](Sc2ccc3n[nH]cc3c2)C(=O)[O-])cc1 ZINC001608203445 1193282911 /nfs/dbraw/zinc/28/29/11/1193282911.db2.gz MTQFLNCQQYAGQD-OAHLLOKOSA-N -1 0 309.350 3.353 20 30 DGEDRM N#Cc1ccc(CNc2ccc(C(=O)[O-])cc2)c(OC(F)F)c1 ZINC001608207575 1193283372 /nfs/dbraw/zinc/28/33/72/1193283372.db2.gz MYNUEVAQSSYUBX-UHFFFAOYSA-N -1 0 318.279 3.470 20 30 DGEDRM N#Cc1ccc2c(c1)NC(=O)/C2=C\c1cc(C(=O)[O-])ccc1Cl ZINC001608214100 1193283827 /nfs/dbraw/zinc/28/38/27/1193283827.db2.gz DLZOVATTXOWXGR-QPEQYQDCSA-N -1 0 324.723 3.403 20 30 DGEDRM N#Cc1cccc(C(=O)Oc2c(C(=O)[O-])ccc3ccccc32)n1 ZINC001608215300 1193284110 /nfs/dbraw/zinc/28/41/10/1193284110.db2.gz IUMFOUACBZSZEW-UHFFFAOYSA-N -1 0 318.288 3.024 20 30 DGEDRM N#Cc1ccccc1/C=C/C(=O)Nc1c(F)cccc1C(=O)[O-] ZINC001608221231 1193284496 /nfs/dbraw/zinc/28/44/96/1193284496.db2.gz QLGJQVNCNNOABD-CMDGGOBGSA-N -1 0 310.284 3.047 20 30 DGEDRM N#Cc1nc(C(=O)[O-])ccc1N[C@H]1CCCc2ccc(F)cc21 ZINC001608224188 1193284806 /nfs/dbraw/zinc/28/48/06/1193284806.db2.gz MPXKYGDOKISWTQ-ZDUSSCGKSA-N -1 0 311.316 3.280 20 30 DGEDRM O=C([O-])c1cc(/C=C/C(=O)c2ccnn2CC2CCC2)cs1 ZINC001608841548 1193306346 /nfs/dbraw/zinc/30/63/46/1193306346.db2.gz YFMOLOSKAKRDNK-SNAWJCMRSA-N -1 0 316.382 3.339 20 30 DGEDRM O=C([O-])c1csc(C(=O)/C=C/c2ccc3c(c2)CCO3)c1 ZINC001608991260 1193318647 /nfs/dbraw/zinc/31/86/47/1193318647.db2.gz MXHXKNCDRZUCPL-HNQUOIGGSA-N -1 0 300.335 3.277 20 30 DGEDRM O=C([O-])c1coc(C(=O)/C=C/c2cccc(-n3cccn3)c2)c1 ZINC001608985658 1193318313 /nfs/dbraw/zinc/31/83/13/1193318313.db2.gz LSAUJKAUKBMZPZ-AATRIKPKSA-N -1 0 308.293 3.060 20 30 DGEDRM O=C([O-])c1coc(C(=O)/C=C\c2ccc(-n3cccn3)cc2)c1 ZINC001608985500 1193318372 /nfs/dbraw/zinc/31/83/72/1193318372.db2.gz FFUVDEIRZRXEML-DAXSKMNVSA-N -1 0 308.293 3.060 20 30 DGEDRM O=C([O-])c1coc(C(=O)/C=C\c2c(Cl)nc3sccn23)c1 ZINC001608986060 1193318577 /nfs/dbraw/zinc/31/85/77/1193318577.db2.gz YOKXNJGOKIQWJI-UPHRSURJSA-N -1 0 322.729 3.237 20 30 DGEDRM C#CCN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1F)C1CCCC1 ZINC001609137296 1193325998 /nfs/dbraw/zinc/32/59/98/1193325998.db2.gz KBOJJNMIZPKLOV-UHFFFAOYSA-N -1 0 322.311 3.073 20 30 DGEDRM C=C(C)CCNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001609225935 1193332345 /nfs/dbraw/zinc/33/23/45/1193332345.db2.gz BYXAAMBBDXITCM-UHFFFAOYSA-N -1 0 314.288 3.074 20 30 DGEDRM C=C[C@H](Nc1ccc(OC)c(NC(=O)OC(C)(C)C)c1)C(=O)[O-] ZINC001609272656 1193332837 /nfs/dbraw/zinc/33/28/37/1193332837.db2.gz 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CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C#CC(C)(C)C ZINC001591761289 975848950 /nfs/dbraw/zinc/84/89/50/975848950.db2.gz LLKCOWDVJGVFJS-UHFFFAOYSA-N -1 0 303.358 3.160 20 30 DGEDRM CC(C)c1ccc(NC(=O)N(C)[C@@H](C)CC#N)c(C(=O)[O-])c1 ZINC001591965702 976558418 /nfs/dbraw/zinc/55/84/18/976558418.db2.gz NZCINFGLFHXWRJ-NSHDSACASA-N -1 0 303.362 3.274 20 30 DGEDRM CC(CCC(=O)[O-])=NOCc1ccc(F)cc1Br ZINC001592471468 978232087 /nfs/dbraw/zinc/23/20/87/978232087.db2.gz YZBZTHQXBDPUFD-UHFFFAOYSA-N -1 0 318.142 3.346 20 30 DGEDRM CCCC(C#N)(CCC)NC(=O)c1ccc(C(=O)[O-])cc1F ZINC001595531804 981368423 /nfs/dbraw/zinc/36/84/23/981368423.db2.gz ADJIBUKPDBZWGE-UHFFFAOYSA-N -1 0 306.337 3.116 20 30 DGEDRM CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001595651777 982026143 /nfs/dbraw/zinc/02/61/43/982026143.db2.gz KHIDPAGYDKWDKL-CQSZACIVSA-N -1 0 324.352 3.434 20 30 DGEDRM CCCCCCCC[C@H](C)CC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC001595704953 982281926 /nfs/dbraw/zinc/28/19/26/982281926.db2.gz 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983344776 /nfs/dbraw/zinc/34/47/76/983344776.db2.gz YOOLMGMRSLFFBR-OAHLLOKOSA-N -1 0 312.300 3.020 20 30 DGEDRM C#C[C@H](OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(C)cc1 ZINC001588375687 983346495 /nfs/dbraw/zinc/34/64/95/983346495.db2.gz FWZWJTBQEUEGPY-JYJNAYRXSA-N -1 0 300.354 3.104 20 30 DGEDRM C#C[C@@H](NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-])C(C)(C)C ZINC001588376782 983353912 /nfs/dbraw/zinc/35/39/12/983353912.db2.gz GVLCTSYLHAQCCD-SMDDNHRTSA-N -1 0 319.426 3.030 20 30 DGEDRM C#C[C@H](NCc1cc(C(=O)[O-])c(CC)o1)c1ccc(F)cc1 ZINC001588376977 983354342 /nfs/dbraw/zinc/35/43/42/983354342.db2.gz HSEKVDVLDRVPEG-HNNXBMFYSA-N -1 0 301.317 3.143 20 30 DGEDRM C#C[C@@H](N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccc(F)cc1 ZINC001588377225 983355721 /nfs/dbraw/zinc/35/57/21/983355721.db2.gz JYTIRVHEJSNKDS-BXKDBHETSA-N -1 0 304.346 3.006 20 30 DGEDRM C#C[C@@H](NCc1ccc(C(=O)[O-])cc1F)c1ccc(F)cc1 ZINC001588377651 983358382 /nfs/dbraw/zinc/35/83/82/983358382.db2.gz OUXNIZRCFQCOOO-MRXNPFEDSA-N -1 0 301.292 3.127 20 30 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305.334 3.343 20 30 DGEDRM Cc1cc(NCCc2cc3ccc(C(=O)[O-])cc3o2)ncc1C#N ZINC001600280550 1192826399 /nfs/dbraw/zinc/82/63/99/1192826399.db2.gz QIZCYXFMVGSNKK-UHFFFAOYSA-N -1 0 321.336 3.361 20 30 DGEDRM Cc1cc(NCCCCCCC(=O)[O-])c(C#N)cc1[N+](=O)[O-] ZINC001600280869 1192826491 /nfs/dbraw/zinc/82/64/91/1192826491.db2.gz FJPIHMWGLLFVGY-UHFFFAOYSA-N -1 0 305.334 3.222 20 30 DGEDRM Cc1sc(NC(=O)c2cc(C#N)ccc2C)c(C(=O)[O-])c1C ZINC001600328924 1192830947 /nfs/dbraw/zinc/83/09/47/1192830947.db2.gz YUKMULVDYBDJCL-UHFFFAOYSA-N -1 0 314.366 3.496 20 30 DGEDRM Cc1ccc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1C(=O)[O-] ZINC001600337429 1192832870 /nfs/dbraw/zinc/83/28/70/1192832870.db2.gz INCDDLLTDATZQW-LBPRGKRZSA-N -1 0 308.337 3.056 20 30 DGEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001600353546 1192836449 /nfs/dbraw/zinc/83/64/49/1192836449.db2.gz ZQEXUELLCSZFPH-ZDUSSCGKSA-N -1 0 322.364 3.382 20 30 DGEDRM Cc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2ccc(C#N)cc2)s1 ZINC001600372332 1192838811 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30 DGEDRM N#Cc1cc(NC(=O)/C=C\c2cc(C(=O)[O-])co2)ccc1C1CC1 ZINC001601090220 1192917502 /nfs/dbraw/zinc/91/75/02/1192917502.db2.gz OPXPHHRREYNBRS-XQRVVYSFSA-N -1 0 322.320 3.379 20 30 DGEDRM N#Cc1cc2ccccc2cc1NC(=O)c1cc(C(=O)[O-])ccn1 ZINC001601091676 1192917775 /nfs/dbraw/zinc/91/77/75/1192917775.db2.gz XXFAWYLLMFSNLI-UHFFFAOYSA-N -1 0 317.304 3.057 20 30 DGEDRM N#Cc1ccc(C(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)cc1 ZINC001601094646 1192917998 /nfs/dbraw/zinc/91/79/98/1192917998.db2.gz QIKRHLDPMXKVDX-KRWDZBQOSA-N -1 0 321.332 3.491 20 30 DGEDRM C=CC[C@@H](NC(=O)Cc1csc2sc(CC)cc12)C(=O)[O-] ZINC001335430344 1178909103 /nfs/dbraw/zinc/90/91/03/1178909103.db2.gz FWZZUAUIZYGLDV-GFCCVEGCSA-N -1 0 323.439 3.213 20 30 DGEDRM N#Cc1ccc(SCC(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC001601113644 1192919319 /nfs/dbraw/zinc/91/93/19/1192919319.db2.gz QSFGJWKYKMPEEX-UHFFFAOYSA-N -1 0 318.379 3.049 20 30 DGEDRM N#Cc1ccc(NCCc2cc3ccc(C(=O)[O-])cc3o2)nc1 ZINC001601107785 1192919354 /nfs/dbraw/zinc/91/93/54/1192919354.db2.gz KOHYJNNRWAWEQB-UHFFFAOYSA-N -1 0 307.309 3.052 20 30 DGEDRM N#Cc1cccc(N[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])n1 ZINC001601120938 1192919865 /nfs/dbraw/zinc/91/98/65/1192919865.db2.gz UDMJZFTWQSVRLI-YOEHRIQHSA-N -1 0 321.380 3.329 20 30 DGEDRM N#Cc1cccc([C@H](OC(=O)/C=C\c2ccsc2)C(=O)[O-])c1 ZINC001601118643 1192920049 /nfs/dbraw/zinc/92/00/49/1192920049.db2.gz LTXKXJWMDCAAAM-XVWMLYKFSA-N -1 0 313.334 3.002 20 30 DGEDRM N#Cc1nc(C(=O)[O-])ccc1NCC1(C(F)(F)F)CCCC1 ZINC001601132959 1192920585 /nfs/dbraw/zinc/92/05/85/1192920585.db2.gz JNCSRIIHACSLCH-UHFFFAOYSA-N -1 0 313.279 3.186 20 30 DGEDRM N#Cc1cccc2c1CCCN2CCOc1cccc(C(=O)[O-])c1 ZINC001601124632 1192920633 /nfs/dbraw/zinc/92/06/33/1192920633.db2.gz PHFRHNAIBFKUSQ-UHFFFAOYSA-N -1 0 322.364 3.088 20 30 DGEDRM N#Cc1nc(C(=O)[O-])ccc1N[C@H]1c2ccccc2CC[C@@H]1F ZINC001601132779 1192920791 /nfs/dbraw/zinc/92/07/91/1192920791.db2.gz HAXTYDYIXMDEJX-LRDDRELGSA-N -1 0 311.316 3.089 20 30 DGEDRM N#Cc1nc(NCCc2ccccc2C(=O)[O-])sc1Cl ZINC001601134302 1192920888 /nfs/dbraw/zinc/92/08/88/1192920888.db2.gz NQUUDWKHTICQOE-UHFFFAOYSA-N -1 0 307.762 3.021 20 30 DGEDRM N#Cc1csc(C(=O)Nc2ccc3c(c2)[nH]cc3C(=O)[O-])c1 ZINC001601130448 1192920897 /nfs/dbraw/zinc/92/08/97/1192920897.db2.gz GPGIFKPFYFXQQV-UHFFFAOYSA-N -1 0 311.322 3.052 20 30 DGEDRM N#Cc1cnc(N(CCC(=O)[O-])Cc2ccccc2)c(Cl)c1 ZINC001601130757 1192920939 /nfs/dbraw/zinc/92/09/39/1192920939.db2.gz VDIZOZHMJOVBBT-UHFFFAOYSA-N -1 0 315.760 3.088 20 30 DGEDRM N#Cc1cccnc1N[C@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001601128398 1192921072 /nfs/dbraw/zinc/92/10/72/1192921072.db2.gz OUVSYWGTXRHORJ-RHSMWYFYSA-N -1 0 321.380 3.329 20 30 DGEDRM N#Cc1nc(C(=O)[O-])ccc1N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC001601134947 1192921466 /nfs/dbraw/zinc/92/14/66/1192921466.db2.gz SGPWLXLYJLXSMB-AULYBMBSSA-N -1 0 311.316 3.149 20 30 DGEDRM N#Cc1sccc1C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001601135687 1192921491 /nfs/dbraw/zinc/92/14/91/1192921491.db2.gz JUTXGYTWGWUKAY-UHFFFAOYSA-N -1 0 323.333 3.118 20 30 DGEDRM N#Cc1nc(C(=O)[O-])ccc1Nc1ccc(OCC(F)F)cc1 ZINC001601134830 1192921553 /nfs/dbraw/zinc/92/15/53/1192921553.db2.gz PSHMTWFMDZBIRV-UHFFFAOYSA-N -1 0 319.267 3.039 20 30 DGEDRM N#Cc1sc(NC[C@H](Cc2ccccc2)C(=O)[O-])nc1Cl ZINC001601136468 1192921759 /nfs/dbraw/zinc/92/17/59/1192921759.db2.gz QOOKXFBMWPLKBJ-JTQLQIEISA-N -1 0 321.789 3.024 20 30 DGEDRM O=C([O-])c1cc(NC(=O)C#Cc2cccs2)ccc1Cl ZINC001601224770 1192922388 /nfs/dbraw/zinc/92/23/88/1192922388.db2.gz GLXVWZRIEPKQAP-UHFFFAOYSA-N -1 0 305.742 3.090 20 30 DGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc2c(cccc2C)o1 ZINC001342023451 1179094212 /nfs/dbraw/zinc/09/42/12/1179094212.db2.gz YHRPZDLPGQGNFP-CQSZACIVSA-N -1 0 312.369 3.370 20 30 DGEDRM Cc1c(Br)csc1C([O-])=C(C#N)c1nccn1C ZINC001342268734 1179125132 /nfs/dbraw/zinc/12/51/32/1179125132.db2.gz QEUTVVHRCZDUKY-QMMMGPOBSA-N -1 0 324.203 3.043 20 30 DGEDRM CO[C@@H]1CCC[C@H]1C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC001342510128 1179147903 /nfs/dbraw/zinc/14/79/03/1179147903.db2.gz HSVVFIZKEIBEKV-IJEWVQPXSA-N -1 0 324.380 3.183 20 30 DGEDRM Cc1onc(-c2ccccn2)c1C([O-])=C(C#N)c1cccc(F)n1 ZINC001342638537 1179164668 /nfs/dbraw/zinc/16/46/68/1179164668.db2.gz CVAUQWOWAFQGPE-LLVKDONJSA-N -1 0 322.299 3.069 20 30 DGEDRM CCCn1ncc(C([O-])=C(C#N)c2cccc(F)n2)c1C1CC1 ZINC001342663391 1179169922 /nfs/dbraw/zinc/16/99/22/1179169922.db2.gz JDWKHQBJARQYAB-LBPRGKRZSA-N -1 0 312.348 3.195 20 30 DGEDRM CC(CC1(C(=O)[O-])CCC1)N=Nc1ccc(C(C)(C)C)nn1 ZINC001343881365 1179344170 /nfs/dbraw/zinc/34/41/70/1179344170.db2.gz FMJAZWGRSASXMY-UHFFFAOYSA-N -1 0 304.394 3.207 20 30 DGEDRM O=C([O-])CCCCC(=NOCc1cncc(F)c1)C(F)(F)F ZINC001601981387 1192954638 /nfs/dbraw/zinc/95/46/38/1192954638.db2.gz KNORLHJEAZDBQB-UHFFFAOYSA-N -1 0 322.258 3.301 20 30 DGEDRM CCc1c(C([O-])=C(C#N)c2cccc(F)n2)cnn1CC(C)C ZINC001344597743 1179456286 /nfs/dbraw/zinc/45/62/86/1179456286.db2.gz XNMHQOSWWZUYNI-GFCCVEGCSA-N -1 0 314.364 3.126 20 30 DGEDRM CCc1ncoc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC001344603459 1179456555 /nfs/dbraw/zinc/45/65/55/1179456555.db2.gz AQKMDAOGOJUNBB-VIFPVBQESA-N -1 0 303.387 3.481 20 30 DGEDRM O=C([O-])COc1ccc(C(=O)/C=C\c2ccc(F)cc2F)cc1 ZINC001602080297 1192957900 /nfs/dbraw/zinc/95/79/00/1192957900.db2.gz OFRLUWYZDUFTER-YWEYNIOJSA-N -1 0 318.275 3.324 20 30 DGEDRM C=CCC[C@@H]1CCCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC001345156681 1179534857 /nfs/dbraw/zinc/53/48/57/1179534857.db2.gz ADCAQZMPQOYTOC-OAHLLOKOSA-N -1 0 301.386 3.275 20 30 DGEDRM CC(C)Oc1ccc(C([O-])=C(C#N)c2ncc(F)cc2F)cn1 ZINC001346008629 1179638246 /nfs/dbraw/zinc/63/82/46/1179638246.db2.gz XXIQEVYSHJEFEC-LBPRGKRZSA-N -1 0 317.295 3.032 20 30 DGEDRM CCSc1cc(C([O-])=C(C#N)c2ncc(Cl)n2C)ccn1 ZINC001346095427 1179652098 /nfs/dbraw/zinc/65/20/98/1179652098.db2.gz DQVVIMSGCCOYAS-JTQLQIEISA-N -1 0 320.805 3.071 20 30 DGEDRM O=C([O-])c1ccc(Cl)c(C=NNc2ccc3n[nH]cc3c2)c1 ZINC001602357010 1192973420 /nfs/dbraw/zinc/97/34/20/1192973420.db2.gz GZPBPSJNSKTXMF-UHFFFAOYSA-N -1 0 314.732 3.361 20 30 DGEDRM N#CC(=C([O-])c1csc([C@H]2CCCO2)n1)c1cccc(F)n1 ZINC001347125877 1179781068 /nfs/dbraw/zinc/78/10/68/1179781068.db2.gz YIIHNLIWIBXOGU-JOYOIKCWSA-N -1 0 317.345 3.019 20 30 DGEDRM O=C([O-])c1coc(/C=C2\COc3ccc(Cl)cc3C2=O)c1 ZINC001602551869 1192987304 /nfs/dbraw/zinc/98/73/04/1192987304.db2.gz IXFGTQPBPSODGX-FPYGCLRLSA-N -1 0 304.685 3.290 20 30 DGEDRM C#C[C@H](Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001602678909 1192994387 /nfs/dbraw/zinc/99/43/87/1192994387.db2.gz RQUOMYOATOSOFJ-ZDUSSCGKSA-N -1 0 314.272 3.219 20 30 DGEDRM C#C[C@@H](NC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)C(C)(C)C ZINC001602672731 1192994036 /nfs/dbraw/zinc/99/40/36/1192994036.db2.gz HKTCQZPGPCNVLV-CQSZACIVSA-N -1 0 313.357 3.036 20 30 DGEDRM C#C[C@H](N[C@H](C(=O)[O-])c1ccccc1C(F)(F)F)C(C)(C)C ZINC001602677850 1192994487 /nfs/dbraw/zinc/99/44/87/1192994487.db2.gz DABFHLQTHDSUSO-STQMWFEESA-N -1 0 313.319 3.469 20 30 DGEDRM C#CC[C@@H](NC(=O)NCCCCCCC(=O)[O-])c1ccccc1 ZINC001602691836 1192994635 /nfs/dbraw/zinc/99/46/35/1192994635.db2.gz BGGTUYPEVVBQEX-MRXNPFEDSA-N -1 0 316.401 3.085 20 30 DGEDRM C#C[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)C1 ZINC001602677326 1192994733 /nfs/dbraw/zinc/99/47/33/1192994733.db2.gz UGRYGFSHQWVZLU-CYBMUJFWSA-N -1 0 322.364 3.415 20 30 DGEDRM C#CCCCCCC(=O)Nc1ccc(Cl)cc1-c1nn[nH]n1 ZINC001602711572 1192995126 /nfs/dbraw/zinc/99/51/26/1192995126.db2.gz XYDWSBHCQHQBRU-UHFFFAOYSA-N -1 0 317.780 3.042 20 30 DGEDRM C#CCOc1cccc(Cl)c1CNc1ccc(C(=O)[O-])nc1 ZINC001602734403 1192995660 /nfs/dbraw/zinc/99/56/60/1192995660.db2.gz SPEMFMKTHDKLTD-UHFFFAOYSA-N -1 0 316.744 3.057 20 30 DGEDRM C=CCC(CC=C)C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001602837441 1192999176 /nfs/dbraw/zinc/99/91/76/1192999176.db2.gz UDQZXKNJPFTDAK-UHFFFAOYSA-N -1 0 321.398 3.226 20 30 DGEDRM C=C(C)Cc1cccc(C(=O)[O-])c1OCCOC[C@@H]1CCCO1 ZINC001602764634 1192996725 /nfs/dbraw/zinc/99/67/25/1192996725.db2.gz ITCLYZFJVKYXER-HNNXBMFYSA-N -1 0 320.385 3.078 20 30 DGEDRM C=C(CC)C(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001602772091 1192997172 /nfs/dbraw/zinc/99/71/72/1192997172.db2.gz KFZRGGHTPQTSRX-UHFFFAOYSA-N -1 0 312.325 3.477 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC001602775388 1192997175 /nfs/dbraw/zinc/99/71/75/1192997175.db2.gz BZMLYTLFNNZBEU-CQSZACIVSA-N -1 0 307.777 3.425 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)Nc1nc2c(s1)C[C@H](CC)CC2 ZINC001602787676 1192997341 /nfs/dbraw/zinc/99/73/41/1192997341.db2.gz PIFHOZRXRMUPNH-SNVBAGLBSA-N -1 0 308.403 3.018 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(C)c(-c2ncco2)c1 ZINC001602785942 1192997402 /nfs/dbraw/zinc/99/74/02/1192997402.db2.gz QTVIDAWOSUGUNZ-UHFFFAOYSA-N -1 0 300.314 3.010 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)Nc1n[nH]c(C)c1-c1cccc(C)c1 ZINC001602785616 1192997479 /nfs/dbraw/zinc/99/74/79/1192997479.db2.gz BAUMZYPRJIIJAS-UHFFFAOYSA-N -1 0 313.357 3.053 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)c1cc2ccccc2s1 ZINC001602778643 1192997689 /nfs/dbraw/zinc/99/76/89/1192997689.db2.gz SKHXGHXBSZFANE-NSHDSACASA-N -1 0 303.383 3.500 20 30 DGEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(C(=O)[O-])c1OC ZINC001602791939 1192997949 /nfs/dbraw/zinc/99/79/49/1192997949.db2.gz GWCGCFZKZVPJQR-TXEJJXNPSA-N -1 0 316.357 3.108 20 30 DGEDRM C=C1CCC(C(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)CC1 ZINC001602791967 1192998235 /nfs/dbraw/zinc/99/82/35/1192998235.db2.gz IJKYWYDZJYLQJS-INIZCTEOSA-N -1 0 301.386 3.292 20 30 DGEDRM C=C[C@H](C)ONC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001602813102 1192998311 /nfs/dbraw/zinc/99/83/11/1192998311.db2.gz RFTZRFFWOUAJLX-QMMMGPOBSA-N -1 0 306.343 3.227 20 30 DGEDRM C=C[C@@H](CC(=O)O[C@H](C)c1nc(C(=O)[O-])co1)c1ccccc1 ZINC001602815751 1192998335 /nfs/dbraw/zinc/99/83/35/1192998335.db2.gz DPUNTZHRGWORNY-NEPJUHHUSA-N -1 0 315.325 3.337 20 30 DGEDRM C=CCCCCCOc1ccc(-c2nn[nH]n2)cc1OCC ZINC001602838041 1192999332 /nfs/dbraw/zinc/99/93/32/1192999332.db2.gz MQISFPIDKZNQNU-UHFFFAOYSA-N -1 0 302.378 3.391 20 30 DGEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001602855713 1192999990 /nfs/dbraw/zinc/99/99/90/1192999990.db2.gz XXNAENHOCMYBSX-ABAIWWIYSA-N -1 0 305.349 3.389 20 30 DGEDRM C=CC[C@@H]1CCN(C(=O)NCCCCC2(C(=O)[O-])CCC2)C1 ZINC001602855323 1192999991 /nfs/dbraw/zinc/99/99/91/1192999991.db2.gz NACNGRHLDOUPTM-CQSZACIVSA-N -1 0 308.422 3.019 20 30 DGEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001602855039 1193000027 /nfs/dbraw/zinc/00/00/27/1193000027.db2.gz FEQPGYZVLGTXLF-JQWIXIFHSA-N -1 0 323.418 3.027 20 30 DGEDRM C=CC[C@H](Sc1nncn1-c1ccc(C)c(Cl)c1)C(=O)[O-] ZINC001602849386 1193000259 /nfs/dbraw/zinc/00/02/59/1193000259.db2.gz KAKZZPGSZPZZGS-LBPRGKRZSA-N -1 0 323.805 3.351 20 30 DGEDRM C=CCCC[C@@H](NC(=O)C[C@H](C)c1cccc(F)c1)C(=O)[O-] ZINC001602864048 1193000934 /nfs/dbraw/zinc/00/09/34/1193000934.db2.gz XCXVWIYBKFKPHM-SWLSCSKDSA-N -1 0 307.365 3.245 20 30 DGEDRM C=CCCc1ccccc1NC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001602884641 1193001044 /nfs/dbraw/zinc/00/10/44/1193001044.db2.gz MNDZYGPIPFXJCU-AWEZNQCLSA-N -1 0 302.374 3.276 20 30 DGEDRM C=CCCC[C@@H](NC(=O)c1cc2ccccc2s1)C(=O)[O-] ZINC001602871125 1193001307 /nfs/dbraw/zinc/00/13/07/1193001307.db2.gz JYQKAXNHGIIIEJ-GFCCVEGCSA-N -1 0 303.383 3.441 20 30 DGEDRM C=CCCC[C@@H](NC(=O)c1cccc(-c2ccoc2)c1)C(=O)[O-] ZINC001602869684 1193001324 /nfs/dbraw/zinc/00/13/24/1193001324.db2.gz DQAUTTSCLPFYPE-MRXNPFEDSA-N -1 0 313.353 3.486 20 30 DGEDRM C=CCCCCCN(C)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001602870672 1193001347 /nfs/dbraw/zinc/00/13/47/1193001347.db2.gz PJLLGKXKXCCFSC-UHFFFAOYSA-N -1 0 306.362 3.405 20 30 DGEDRM C=CCCCCNC(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001602870142 1193001439 /nfs/dbraw/zinc/00/14/39/1193001439.db2.gz KBNFPTYKDKIPQR-HNNXBMFYSA-N -1 0 304.390 3.166 20 30 DGEDRM C=CCCC[C@@H](NC(=O)c1cc(C(F)F)ccc1F)C(=O)[O-] ZINC001602872553 1193001507 /nfs/dbraw/zinc/00/15/07/1193001507.db2.gz VDBHGGPQATYVNC-GFCCVEGCSA-N -1 0 315.291 3.303 20 30 DGEDRM C=CCN(Cc1ccccc1F)[C@H](C(=O)[O-])c1cccnc1 ZINC001602894718 1193001989 /nfs/dbraw/zinc/00/19/89/1193001989.db2.gz VFSONMITSSRSGC-INIZCTEOSA-N -1 0 300.333 3.035 20 30 DGEDRM C=Cc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC001602944575 1193002875 /nfs/dbraw/zinc/00/28/75/1193002875.db2.gz BXQYGSWFZCFDSK-MRXNPFEDSA-N -1 0 307.305 3.184 20 30 DGEDRM CC(C)(C#N)c1ccc(C(=O)Oc2ccc(CC(=O)[O-])cc2)cc1 ZINC001603230477 1193011482 /nfs/dbraw/zinc/01/14/82/1193011482.db2.gz MRWREECGCDBXKC-UHFFFAOYSA-N -1 0 323.348 3.334 20 30 DGEDRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2sccc2C#N)c1 ZINC001603220923 1193011549 /nfs/dbraw/zinc/01/15/49/1193011549.db2.gz GHWHVFTZYKFXRN-SECBINFHSA-N -1 0 300.339 3.060 20 30 DGEDRM CC(C)(C#N)c1ccc(C(=O)OCc2ccoc2C(=O)[O-])cc1 ZINC001603230563 1193012670 /nfs/dbraw/zinc/01/26/70/1193012670.db2.gz OOQHODJWCJOJRI-UHFFFAOYSA-N -1 0 313.309 3.136 20 30 DGEDRM CC(C)(C)c1ncc(C=NNc2cccc(C(=O)[O-])c2F)cn1 ZINC001603554734 1193021564 /nfs/dbraw/zinc/02/15/64/1193021564.db2.gz ICULLXAUIJCCBC-UHFFFAOYSA-N -1 0 316.336 3.057 20 30 DGEDRM CC[C@]1(C(=O)[O-])CCCN(c2ncc(C#N)c3ccsc32)C1 ZINC001603609456 1193023003 /nfs/dbraw/zinc/02/30/03/1193023003.db2.gz LMBPISUDMBMPST-INIZCTEOSA-N -1 0 315.398 3.249 20 30 DGEDRM CC(C)(C)c1ncc(C=NNc2ccc(F)c(C(=O)[O-])c2)cn1 ZINC001603554945 1193021825 /nfs/dbraw/zinc/02/18/25/1193021825.db2.gz NAFDDMBXORJHAK-UHFFFAOYSA-N -1 0 316.336 3.057 20 30 DGEDRM CC1(C)CCC[C@@H](CNc2c(C#N)cccc2-c2nn[nH]n2)C1 ZINC001603775065 1193030977 /nfs/dbraw/zinc/03/09/77/1193030977.db2.gz UISNLAWOQIUQMV-GFCCVEGCSA-N -1 0 310.405 3.367 20 30 DGEDRM C=C1CCC(CNC(=O)N2CCC[C@H](CCC(=O)[O-])C2)CC1 ZINC001353139645 1180473373 /nfs/dbraw/zinc/47/33/73/1180473373.db2.gz UNSSNWSBHVNIBZ-OAHLLOKOSA-N -1 0 308.422 3.019 20 30 DGEDRM CC(C)c1nc(NC(=O)c2sccc2C#N)sc1C(=O)[O-] ZINC001604018849 1193044561 /nfs/dbraw/zinc/04/45/61/1193044561.db2.gz XLACPDWGGUADEW-UHFFFAOYSA-N -1 0 321.383 3.150 20 30 DGEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cccc2c1[C@@H](C)CC2(C)C 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657311091 /nfs/dbraw/zinc/31/10/91/657311091.db2.gz JAVNUJODZHQNKI-UXBLZVDNSA-N -1 0 315.256 3.098 20 30 DGEDRM CCc1ccsc1C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000049003871 657330572 /nfs/dbraw/zinc/33/05/72/657330572.db2.gz LPQQEBIRABODRP-UHFFFAOYSA-N -1 0 313.375 3.143 20 30 DGEDRM C=CCC[C@H](NC(=O)C(CC)(CC)c1ccccc1)C(=O)[O-] ZINC000262915101 658064906 /nfs/dbraw/zinc/06/49/06/658064906.db2.gz NNLMHXOOMUNAEV-HNNXBMFYSA-N -1 0 303.402 3.280 20 30 DGEDRM C=C(C)C[C@@H](C)C(=O)NC[C@@](CC)(C(=O)[O-])c1ccccc1 ZINC000263022677 658095875 /nfs/dbraw/zinc/09/58/75/658095875.db2.gz ORNHZDPJDSZBEV-RDTXWAMCSA-N -1 0 303.402 3.138 20 30 DGEDRM Oc1ccccc1C=Nn1c(=S)[n-]nc1-c1ccccc1F ZINC000254816511 658191574 /nfs/dbraw/zinc/19/15/74/658191574.db2.gz HPTVVZIBCMAXQP-UHFFFAOYSA-N -1 0 314.345 3.335 20 30 DGEDRM O=C([N-]S(=O)(=O)c1ccc2ccccc2c1)c1ccoc1 ZINC000042232956 658751915 /nfs/dbraw/zinc/75/19/15/658751915.db2.gz BGVNAAJTEPADMI-UHFFFAOYSA-N -1 0 301.323 3.126 20 30 DGEDRM CCCCS(=O)(=O)[N-]C(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000042343156 658767668 /nfs/dbraw/zinc/76/76/68/658767668.db2.gz IRSVZFHDCFGQGD-JTQLQIEISA-N -1 0 319.810 3.194 20 30 DGEDRM Cc1ccc(C(=O)/C=C/c2nccn2CC(F)(F)F)c([O-])c1 ZINC000156710023 658935591 /nfs/dbraw/zinc/93/55/91/658935591.db2.gz UUOCELZOCURLJC-SNAWJCMRSA-N -1 0 310.275 3.356 20 30 DGEDRM COc1ccc(/C=C/C(=O)c2ccc(F)cc2[O-])cc1[N+](=O)[O-] ZINC000156723463 658940682 /nfs/dbraw/zinc/94/06/82/658940682.db2.gz WZAAEJXCIQQPQU-QHHAFSJGSA-N -1 0 317.272 3.344 20 30 DGEDRM CCn1nc(C)c(C(=O)/C=C/c2cc([O-])ccc2[N+](=O)[O-])c1C ZINC000157278802 659043344 /nfs/dbraw/zinc/04/33/44/659043344.db2.gz MDFCADLFULJOMJ-VMPITWQZSA-N -1 0 315.329 3.030 20 30 DGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)Cc1cccc(F)c1 ZINC000046928072 659152508 /nfs/dbraw/zinc/15/25/08/659152508.db2.gz HBSGFWZHWSAQOR-UHFFFAOYSA-N -1 0 307.346 3.022 20 30 DGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cccc(C(F)F)c1 ZINC000171566551 659288245 /nfs/dbraw/zinc/28/82/45/659288245.db2.gz 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CCCCS(=O)(=O)[N-]C(=O)CCn1ccc2ccccc21 ZINC000042342992 661839864 /nfs/dbraw/zinc/83/98/64/661839864.db2.gz VIWSTXWOOXWLKB-UHFFFAOYSA-N -1 0 308.403 3.118 20 30 DGEDRM O=C([O-])c1cccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1 ZINC000158290464 661870632 /nfs/dbraw/zinc/87/06/32/661870632.db2.gz CDQZTKFRIKVVDG-GQCTYLIASA-N -1 0 310.305 3.052 20 30 DGEDRM O=C(Cc1ccsc1)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000048494340 661891127 /nfs/dbraw/zinc/89/11/27/661891127.db2.gz JXCBHLTYUKSTER-UHFFFAOYSA-N -1 0 315.803 3.289 20 30 DGEDRM CCCCS(=O)(=O)[N-]C(=O)[C@@H](C)Cc1cccc(F)c1 ZINC000049302287 661900687 /nfs/dbraw/zinc/90/06/87/661900687.db2.gz BLCUZJQGAJVLJP-NSHDSACASA-N -1 0 301.383 3.091 20 30 DGEDRM CCCCS(=O)(=O)[N-]C(=O)c1ncoc1-c1ccc(C)cc1 ZINC000076761781 661997140 /nfs/dbraw/zinc/99/71/40/661997140.db2.gz STSJQXCGDVRNHN-UHFFFAOYSA-N -1 0 322.386 3.085 20 30 DGEDRM C[C@@H]1CC[C@@H](CCC(=O)[N-]S(=O)(=O)CC2CCCCC2)O1 ZINC000076905655 662004839 /nfs/dbraw/zinc/00/48/39/662004839.db2.gz OQKAQNABMLNWJV-OCCSQVGLSA-N 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662212703 /nfs/dbraw/zinc/21/27/03/662212703.db2.gz DCCMEGRTDPAJDC-LLVKDONJSA-N -1 0 313.394 3.233 20 30 DGEDRM CC(C)CCS(=O)(=O)[N-]C(=O)CCO[C@@H](C)CC(C)C ZINC000088813343 662235547 /nfs/dbraw/zinc/23/55/47/662235547.db2.gz SPGXRYBDIMWGLL-ZDUSSCGKSA-N -1 0 307.456 3.160 20 30 DGEDRM CC(=NNc1cc(C)cc(C)c1)c1cccc(-c2nn[nH]n2)c1 ZINC001588777199 1192454085 /nfs/dbraw/zinc/45/40/85/1192454085.db2.gz IPWFWZYTNXXIOG-UHFFFAOYSA-N -1 0 306.373 3.320 20 30 DGEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NCCC2CCCCC2)o1 ZINC001589773801 1192473628 /nfs/dbraw/zinc/47/36/28/1192473628.db2.gz NHLHTZGKPBYQJR-UHFFFAOYSA-N -1 0 317.397 3.346 20 30 DGEDRM CCCCCC(C)N=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC001590588245 1192527895 /nfs/dbraw/zinc/52/78/95/1192527895.db2.gz UZPFGONINACXMN-UHFFFAOYSA-N -1 0 305.386 3.346 20 30 DGEDRM CCCOc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])n2C)cc1 ZINC001595953210 1192675693 /nfs/dbraw/zinc/67/56/93/1192675693.db2.gz UHYTXSAAUXZNIS-XFFZJAGNSA-N -1 0 313.353 3.408 20 30 DGEDRM CN(C(=O)c1ccc2ccc(O)cc2c1[O-])c1cccc(C#N)c1 ZINC001597403125 1192731673 /nfs/dbraw/zinc/73/16/73/1192731673.db2.gz JEXLHUZHSNBKON-UHFFFAOYSA-N -1 0 318.332 3.399 20 30 DGEDRM CC(=O)c1ccc([O-])c(NC(=O)[C@H](C#N)CCc2ccccc2)c1 ZINC001598064200 1192760932 /nfs/dbraw/zinc/76/09/32/1192760932.db2.gz MWWZWTMPKUNZNH-INIZCTEOSA-N -1 0 322.364 3.306 20 30 DGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)OCC1(C(=O)[O-])CC1 ZINC001600007003 1192782401 /nfs/dbraw/zinc/78/24/01/1192782401.db2.gz YITUTTLVJJNVLD-UHFFFAOYSA-N -1 0 315.350 3.103 20 30 DGEDRM Cc1cc(C#N)ccc1C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001600075303 1192788420 /nfs/dbraw/zinc/78/84/20/1192788420.db2.gz RKALRDQMYCNFGN-SFHVURJKSA-N -1 0 314.385 3.020 20 30 DGEDRM Cc1cc(C(=O)[O-])nc(N(Cc2ccc(C#N)cc2)CC(C)C)n1 ZINC001600125346 1192791782 /nfs/dbraw/zinc/79/17/82/1192791782.db2.gz MXZFLMHVPMGYOT-UHFFFAOYSA-N -1 0 324.384 3.018 20 30 DGEDRM Cc1cc(C(=O)[O-])oc1C(=O)N(c1ccc(C#N)cc1)C1CCC1 ZINC001600129409 1192792711 /nfs/dbraw/zinc/79/27/11/1192792711.db2.gz ODDUZUKGUFBVAG-UHFFFAOYSA-N -1 0 324.336 3.357 20 30 DGEDRM Cc1cc([C@H](C)OC(=O)c2csc(C#N)c2)oc1C(=O)[O-] ZINC001600143556 1192794755 /nfs/dbraw/zinc/79/47/55/1192794755.db2.gz LJYHNVKZQNOMDY-QMMMGPOBSA-N -1 0 305.311 3.137 20 30 DGEDRM Cc1cc(C)c(/C=C2\CCn3nc(C(=O)[O-])cc3C2=O)cc1C ZINC001600160125 1192797399 /nfs/dbraw/zinc/79/73/99/1192797399.db2.gz KHTIAXAIULVGEE-MDWZMJQESA-N -1 0 310.353 3.177 20 30 DGEDRM Cc1cc(C)c2c(c1)CCN(Cc1cccc(C(=O)[O-])c1C#N)C2 ZINC001600164510 1192798472 /nfs/dbraw/zinc/79/84/72/1192798472.db2.gz DZRYUEIMRRKRIM-UHFFFAOYSA-N -1 0 320.392 3.432 20 30 DGEDRM Cc1cc(CNc2ncc(C#N)c3ccsc32)oc1C(=O)[O-] ZINC001600212787 1192811216 /nfs/dbraw/zinc/81/12/16/1192811216.db2.gz SIWJWSRMVZMAQM-UHFFFAOYSA-N -1 0 313.338 3.380 20 30 DGEDRM Cc1cc(Cl)cc2c1O/C(=C/c1cc(C(=O)[O-])n(C)c1)C2=O ZINC001600218968 1192812879 /nfs/dbraw/zinc/81/28/79/1192812879.db2.gz JGPIERZERDWFQL-WLRTZDKTSA-N -1 0 317.728 3.301 20 30 DGEDRM 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QXSNPFHNARDUKB-OAHLLOKOSA-N -1 0 318.323 3.421 20 30 DGEDRM C=CCCCCNC(=O)c1nn(-c2cc(C)ccc2F)cc1[O-] ZINC001556312176 1188995160 /nfs/dbraw/zinc/99/51/60/1188995160.db2.gz GXXCMXWRONFWLA-UHFFFAOYSA-N -1 0 317.364 3.112 20 30 DGEDRM C#Cc1ccc(CNC(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC001556665758 1189012264 /nfs/dbraw/zinc/01/22/64/1189012264.db2.gz DYRWRTQFCVMRMH-UHFFFAOYSA-N -1 0 308.362 3.028 20 30 DGEDRM Cc1cc(C#N)cc(NC(=O)c2nn(-c3ccccc3)cc2[O-])c1 ZINC001557005272 1189034799 /nfs/dbraw/zinc/03/47/99/1189034799.db2.gz NVYAJUGYYMCJTI-UHFFFAOYSA-N -1 0 318.336 3.010 20 30 DGEDRM Cc1ccc2c(CC(=O)[N-]Oc3cccc(C#N)c3)coc2c1 ZINC001557921026 1189092450 /nfs/dbraw/zinc/09/24/50/1189092450.db2.gz MRCSIVRERGDORT-UHFFFAOYSA-N -1 0 306.321 3.266 20 30 DGEDRM C#Cc1ccc(NC(=O)c2cccc(Br)c2[O-])cc1 ZINC001558728079 1189145339 /nfs/dbraw/zinc/14/53/39/1189145339.db2.gz NPGXFWAJZBNKIG-UHFFFAOYSA-N -1 0 316.154 3.388 20 30 DGEDRM C#CCOc1ccc(NC(=O)c2ccc3oc(=S)[n-]c3c2)cc1 ZINC001565728450 1189667190 /nfs/dbraw/zinc/66/71/90/1189667190.db2.gz RJYJEOQUFGSFNT-UHFFFAOYSA-N -1 0 324.361 3.381 20 30 DGEDRM C=CCC1(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCCC1 ZINC001623973707 1193974085 /nfs/dbraw/zinc/97/40/85/1193974085.db2.gz KJJTWPZPXMFPAT-UHFFFAOYSA-N -1 0 304.346 3.167 20 30 DGEDRM C=CCO[N-]C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC001624256208 1193988588 /nfs/dbraw/zinc/98/85/88/1193988588.db2.gz OBXKZSQGZAAYLC-GOSISDBHSA-N -1 0 321.380 3.228 20 30 DGEDRM COc1cccc(CC(=O)Nc2cc(C#N)ccc2[O-])c1Cl ZINC001624287625 1193990523 /nfs/dbraw/zinc/99/05/23/1193990523.db2.gz JVKCBFRNSFVSIC-UHFFFAOYSA-N -1 0 316.744 3.107 20 30 DGEDRM C=CC[C@@H](CC)NC(=O)c1nn(-c2ccccc2CC)cc1[O-] ZINC001626330697 1194072857 /nfs/dbraw/zinc/07/28/57/1194072857.db2.gz QCDZRKBXJKGBGM-CQSZACIVSA-N -1 0 313.401 3.225 20 30 DGEDRM N#Cc1cccc2c1CCN2C(=O)c1ncc2ccccc2c1[O-] ZINC001626959742 1194104553 /nfs/dbraw/zinc/10/45/53/1194104553.db2.gz KKIWPGVJWICGPP-UHFFFAOYSA-N -1 0 315.332 3.015 20 30 DGEDRM C[C@@H](C(=O)[N-]Oc1cccc(C#N)c1)c1c(F)cccc1F ZINC001631983015 1194365305 /nfs/dbraw/zinc/36/53/05/1194365305.db2.gz JMOOQSMOSIKJHI-SNVBAGLBSA-N -1 0 302.280 3.050 20 30 DGEDRM C=CCN(C(=O)c1nn(-c2cc(C)ccc2F)cc1[O-])C(C)C ZINC001632963564 1194414066 /nfs/dbraw/zinc/41/40/66/1194414066.db2.gz OGCLGGAEEYQPNP-UHFFFAOYSA-N -1 0 317.364 3.062 20 30 DGEDRM N#CCCc1ccc(NC(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC001635174678 1194536377 /nfs/dbraw/zinc/53/63/77/1194536377.db2.gz AJQLSMUJTXCZMD-UHFFFAOYSA-N -1 0 302.280 3.379 20 30 DGEDRM CCCCCCCCCCC(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001636501526 1194616700 /nfs/dbraw/zinc/61/67/00/1194616700.db2.gz HIDRFCUKPSEABG-AWEZNQCLSA-N -1 0 307.442 3.046 20 30 DGEDRM C[C@H](CSC(F)(F)F)C(=O)Nc1cc(C#N)ccc1[O-] ZINC001637619904 1194678569 /nfs/dbraw/zinc/67/85/69/1194678569.db2.gz FSFQPOKOCAZEFL-SSDOTTSWSA-N -1 0 304.293 3.091 20 30 DGEDRM C=CCCC[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)c1ccccc1 ZINC001643939805 1195064934 /nfs/dbraw/zinc/06/49/34/1195064934.db2.gz ZXQQPWOAYALEAS-CQSZACIVSA-N -1 0 319.368 3.232 20 30 DGEDRM C=CC(C)(C)CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001646459325 1195229636 /nfs/dbraw/zinc/22/96/36/1195229636.db2.gz LDCSCABWZHUFDS-UHFFFAOYSA-N -1 0 312.753 3.286 20 30 DGEDRM C[C@@H](Oc1cccc(Cl)c1)C(=O)[N-]Oc1cccc(C#N)c1 ZINC001648726430 1195326054 /nfs/dbraw/zinc/32/60/54/1195326054.db2.gz JMQCGXHAOLOLFZ-LLVKDONJSA-N -1 0 316.744 3.089 20 30 DGEDRM N#Cc1cccc(O[N-]C(=O)c2cc(-c3ccccc3)ns2)c1 ZINC001648729749 1195326417 /nfs/dbraw/zinc/32/64/17/1195326417.db2.gz ZRBXFSVPKNGYMJ-UHFFFAOYSA-N -1 0 321.361 3.406 20 30 DGEDRM C=C[C@@H](C)ONC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC001651121705 1195417133 /nfs/dbraw/zinc/41/71/33/1195417133.db2.gz BCMUGVMRLVXISZ-ZCFIWIBFSA-N -1 0 320.570 3.044 20 30 DGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(-c2ccccc2)s1 ZINC000193462878 1201274355 /nfs/dbraw/zinc/27/43/55/1201274355.db2.gz ZRLFNNJVTNDVNS-CYBMUJFWSA-N -1 0 310.378 3.016 20 30 DGEDRM N#C[C@@H](CCc1ccccc1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001601049470 970922883 /nfs/dbraw/zinc/92/28/83/970922883.db2.gz XWVSGBCNWNESKG-OAHLLOKOSA-N -1 0 308.337 3.096 20 30 DGEDRM O=C([O-])CCCC(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC001601979619 971107095 /nfs/dbraw/zinc/10/70/95/971107095.db2.gz LGOJFBDCSRIEBG-UHFFFAOYSA-N -1 0 313.378 3.341 20 30 DGEDRM C#Cc1ccc(NC(=O)NC(C)(C)CCC(=O)[O-])c(Cl)c1 ZINC001602706976 971340582 /nfs/dbraw/zinc/34/05/82/971340582.db2.gz GEOGPXSTIJTIAG-UHFFFAOYSA-N -1 0 308.765 3.086 20 30 DGEDRM C=CC[C@@H]1N(C(=O)Nc2cncc(C(=O)[O-])c2)CCCC1(C)C ZINC001602719088 971381766 /nfs/dbraw/zinc/38/17/66/971381766.db2.gz OZOQAAMYXJISDA-AWEZNQCLSA-N -1 0 317.389 3.378 20 30 DGEDRM C=CC[C@H]1CCCC[C@H]1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001602718794 971377404 /nfs/dbraw/zinc/37/74/04/971377404.db2.gz WQHXUOHIZXYFGW-GOEBONIOSA-N -1 0 316.401 3.319 20 30 DGEDRM C=CCC[C@H]1CCCN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001602719066 971380306 /nfs/dbraw/zinc/38/03/06/971380306.db2.gz NQTOFFGJSGLVDF-HNNXBMFYSA-N -1 0 302.374 3.276 20 30 DGEDRM N#Cc1ccc(NCCCCCC(=O)[O-])cc1Br ZINC000228161778 949618706 /nfs/dbraw/zinc/61/87/06/949618706.db2.gz VGXROBRSDURWII-UHFFFAOYSA-N -1 0 311.179 3.378 20 30 DGEDRM CC[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)C(=O)[O-] ZINC001593621355 953530079 /nfs/dbraw/zinc/53/00/79/953530079.db2.gz SYBIDCILBFTHBL-MNOVXSKESA-N -1 0 321.402 3.066 20 30 DGEDRM C[C@@H]1Cc2c(C#N)c(NC(=O)CCCC(=O)[O-])sc2[C@@H](C)C1 ZINC001589412114 954522893 /nfs/dbraw/zinc/52/28/93/954522893.db2.gz VRGHBLPGNQEIHE-UWVGGRQHSA-N -1 0 320.414 3.499 20 30 DGEDRM CCCCCCCC(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000386926208 972091238 /nfs/dbraw/zinc/09/12/38/972091238.db2.gz MJDPAKNXSGKFEO-OAHLLOKOSA-N -1 0 305.374 3.226 20 30 DGEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1sccc1C(=O)[O-] ZINC001589079358 955841340 /nfs/dbraw/zinc/84/13/40/955841340.db2.gz ONVSYHKQRWFKES-JTQLQIEISA-N -1 0 314.366 3.135 20 30 DGEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001589079656 955843423 /nfs/dbraw/zinc/84/34/23/955843423.db2.gz VAWXWALTMOYEKU-ZDUSSCGKSA-N -1 0 322.364 3.003 20 30 DGEDRM N#C[C@@H](C(=O)c1cccc(C(=O)[O-])c1)c1nc(C2CC2)cs1 ZINC001594601714 956138780 /nfs/dbraw/zinc/13/87/80/956138780.db2.gz PTMPDBRIBXASDN-LBPRGKRZSA-N -1 0 312.350 3.209 20 30 DGEDRM N#Cc1c(CNc2cccc(CC(=O)[O-])c2)cn2ccccc12 ZINC001594611862 956221383 /nfs/dbraw/zinc/22/13/83/956221383.db2.gz JDFWAYPMVNHLMA-UHFFFAOYSA-N -1 0 305.337 3.050 20 30 DGEDRM N#Cc1cc(C(=O)Nc2ccccc2C(=O)[O-])ccc1Cl ZINC001594616593 956241158 /nfs/dbraw/zinc/24/11/58/956241158.db2.gz OMCQKQYTNYUXGS-UHFFFAOYSA-N -1 0 300.701 3.162 20 30 DGEDRM N#Cc1cc(NC(=O)C2(C(=O)[O-])CCCCC2)ccc1C1CC1 ZINC001594616685 956242240 /nfs/dbraw/zinc/24/22/40/956242240.db2.gz XCPCESYCNBNOOB-UHFFFAOYSA-N -1 0 312.369 3.409 20 30 DGEDRM N#Cc1ccc(-c2ccc(OC(=O)[C@H](C(=O)[O-])C3CC3)cc2)cc1 ZINC001594617095 956246696 /nfs/dbraw/zinc/24/66/96/956246696.db2.gz CRUNQTNUBUAWFX-KRWDZBQOSA-N -1 0 321.332 3.241 20 30 DGEDRM N#Cc1ccc(C(=O)NC2(CC(=O)[O-])CCCCC2)cc1Cl ZINC001594617907 956256313 /nfs/dbraw/zinc/25/63/13/956256313.db2.gz QNEGQAKOYZQGJN-UHFFFAOYSA-N -1 0 320.776 3.119 20 30 DGEDRM N#Cc1ccc(C(F)(F)F)nc1NCc1ccccc1C(=O)[O-] ZINC001594617990 956257434 /nfs/dbraw/zinc/25/74/34/956257434.db2.gz WKAQFSUGFPFJNH-UHFFFAOYSA-N -1 0 321.258 3.282 20 30 DGEDRM N#Cc1ccccc1N(Cc1ccccc1)C(=O)CCCC(=O)[O-] ZINC001594631746 956345727 /nfs/dbraw/zinc/34/57/27/956345727.db2.gz HZEBFHQGFOBJQP-UHFFFAOYSA-N -1 0 322.364 3.346 20 30 DGEDRM N#Cc1cnc(N2CCC(CCC(=O)[O-])CC2)c2sccc21 ZINC001594633166 956358004 /nfs/dbraw/zinc/35/80/04/956358004.db2.gz QCZFDFBMXPUBNP-UHFFFAOYSA-N -1 0 315.398 3.249 20 30 DGEDRM C[C@@H](OC(=O)[C@H](C(=O)[O-])C1CCCC1)c1ccc(C#N)cc1 ZINC001589154146 956359094 /nfs/dbraw/zinc/35/90/94/956359094.db2.gz NVLFEXBFKRSHAS-ABAIWWIYSA-N -1 0 301.342 3.053 20 30 DGEDRM C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1cccc(C(=O)[O-])c1 ZINC001589175321 956495590 /nfs/dbraw/zinc/49/55/90/956495590.db2.gz YGAWADMEKJCORS-GFCCVEGCSA-N -1 0 308.337 3.090 20 30 DGEDRM C=CCOc1ccc(C(=O)Nc2ccc(F)cc2C(=O)[O-])cc1 ZINC000390323307 972275366 /nfs/dbraw/zinc/27/53/66/972275366.db2.gz QWYPFUPIXLODPX-UHFFFAOYSA-N -1 0 315.300 3.341 20 30 DGEDRM Cc1cc(C#N)cc(C)c1CC(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001594274099 957703136 /nfs/dbraw/zinc/70/31/36/957703136.db2.gz QDXWZAFWNREAIF-UHFFFAOYSA-N -1 0 323.348 3.159 20 30 DGEDRM C=CCC[C@H](NC(=O)NC[C@H](CC)C(=O)[O-])c1ccccc1 ZINC001339859287 957895249 /nfs/dbraw/zinc/89/52/49/957895249.db2.gz VEPRSIPHRHTROW-ZFWWWQNUSA-N -1 0 304.390 3.104 20 30 DGEDRM C=CC[C@@H](C(=O)N1CCC[C@@](CC)(C(=O)[O-])C1)c1ccccc1 ZINC001588452626 958424788 /nfs/dbraw/zinc/42/47/88/958424788.db2.gz PWNRDHWPIULLIN-VQIMIIECSA-N -1 0 315.413 3.450 20 30 DGEDRM C=CCC[C@H](C(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC001588457246 958446054 /nfs/dbraw/zinc/44/60/54/958446054.db2.gz RGSVPGSQYHZOTF-INIZCTEOSA-N -1 0 301.386 3.060 20 30 DGEDRM C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1cccnc1C(=O)[O-] ZINC001588457681 958452500 /nfs/dbraw/zinc/45/25/00/958452500.db2.gz JJFYPZVJXKMZLK-NWDGAFQWSA-N -1 0 303.362 3.036 20 30 DGEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001588458322 958460435 /nfs/dbraw/zinc/46/04/35/958460435.db2.gz RSGCQCSQCQEXGL-YPMHNXCESA-N -1 0 303.362 3.036 20 30 DGEDRM C=CCC1(CNC(=O)NCc2cccc(C(=O)[O-])c2)CCCC1 ZINC001588458486 958464445 /nfs/dbraw/zinc/46/44/45/958464445.db2.gz VTTAXAMABOCBON-UHFFFAOYSA-N -1 0 316.401 3.321 20 30 DGEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)[C@]1(C(=O)[O-])C[C@H]1C ZINC001588464451 958491771 /nfs/dbraw/zinc/49/17/71/958491771.db2.gz RHNJIEKBJRKJFJ-OTYXRUKQSA-N -1 0 313.806 3.027 20 30 DGEDRM C=CCN(CCc1ccco1)C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001573328440 958499398 /nfs/dbraw/zinc/49/93/98/958499398.db2.gz ICFJUECGGQFDHU-UHFFFAOYSA-N -1 0 313.353 3.157 20 30 DGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001573329286 958508737 /nfs/dbraw/zinc/50/87/37/958508737.db2.gz CAYXKHCVNQCCDD-SJORKVTESA-N -1 0 315.413 3.181 20 30 DGEDRM C=CC[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001573329312 958508822 /nfs/dbraw/zinc/50/88/22/958508822.db2.gz CNERHUBFINSALY-KRWDZBQOSA-N -1 0 309.365 3.361 20 30 DGEDRM N#Cc1ccc([N+](=O)[O-])c(Sc2ccc(C(=O)[O-])cc2)c1 ZINC000124682372 958543129 /nfs/dbraw/zinc/54/31/29/958543129.db2.gz CTFXUZBFYFSJDV-UHFFFAOYSA-N -1 0 300.295 3.316 20 30 DGEDRM C[C@@H](C(=O)[O-])C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC001588576009 959228130 /nfs/dbraw/zinc/22/81/30/959228130.db2.gz WWJQFLIGUAOUBK-WBMJQRKESA-N -1 0 308.337 3.001 20 30 DGEDRM C[C@H](OC(=O)[C@H](C(=O)[O-])C1CCCC1)c1cccc(C#N)c1 ZINC001594243388 959548214 /nfs/dbraw/zinc/54/82/14/959548214.db2.gz USZOQEDVDFQSRS-NHYWBVRUSA-N -1 0 301.342 3.053 20 30 DGEDRM CC(C)[C@H](C(=O)[O-])C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC001588803919 961455250 /nfs/dbraw/zinc/45/52/50/961455250.db2.gz LOJSROJWSJFIEO-GJZGRUSLSA-N -1 0 316.401 3.022 20 30 DGEDRM CC(C)[C@@H](C(=O)[O-])C(=O)N(O)Cc1cc(Cl)cc(Cl)c1 ZINC001588815019 961560727 /nfs/dbraw/zinc/56/07/27/961560727.db2.gz BJSRLACPODEZRL-LLVKDONJSA-N 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CCn1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c(C)n1 ZINC000626423240 401355533 /nfs/dbraw/zinc/35/55/33/401355533.db2.gz MVBQJLIDIPIBOV-LLVKDONJSA-N -1 0 316.430 3.456 20 30 DGEDRM C=CCN(Cc1ccccc1)C(=O)CC1(C(=O)[O-])CCCC1 ZINC000634864623 401363557 /nfs/dbraw/zinc/36/35/57/401363557.db2.gz QEEXMSWRCWJPGP-UHFFFAOYSA-N -1 0 301.386 3.236 20 30 DGEDRM C=C[C@@H]1CCCCN1C(=O)[C@@](C)(CC(=O)[O-])c1ccsc1 ZINC000634945146 401385338 /nfs/dbraw/zinc/38/53/38/401385338.db2.gz MAYAUPKNODLUOE-CJNGLKHVSA-N -1 0 307.415 3.048 20 30 DGEDRM Cc1coc2ccc([N-]S(=O)(=O)c3ccccc3C#N)cc12 ZINC000187078022 165074260 /nfs/dbraw/zinc/07/42/60/165074260.db2.gz GSXGMSUYSKGDIO-UHFFFAOYSA-N -1 0 312.350 3.414 20 30 DGEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c1C#N ZINC000137399550 432176323 /nfs/dbraw/zinc/17/63/23/432176323.db2.gz HHKZVIVZQKIMBA-UHFFFAOYSA-N -1 0 311.366 3.149 20 30 DGEDRM CN(C)c1c(Cl)cccc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000190715541 432183406 /nfs/dbraw/zinc/18/34/06/432183406.db2.gz JTXARARKWXTGGF-UHFFFAOYSA-N -1 0 315.760 3.236 20 30 DGEDRM C=C[C@H](CC(=O)NCc1cc(C(=O)[O-])c(C)o1)c1ccccc1 ZINC000190922541 432202045 /nfs/dbraw/zinc/20/20/45/432202045.db2.gz VDBGZYCPPIDRSA-CYBMUJFWSA-N -1 0 313.353 3.262 20 30 DGEDRM Cn1nccc1C([O-])=C(C#N)c1nc(-c2ccccc2)cs1 ZINC000159816987 228243812 /nfs/dbraw/zinc/24/38/12/228243812.db2.gz DGNKTRCRCQDEKW-GFCCVEGCSA-N -1 0 308.366 3.034 20 30 DGEDRM COc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)ccc1F ZINC000177698975 228334440 /nfs/dbraw/zinc/33/44/40/228334440.db2.gz RTHAKOLCEMIQPA-LLVKDONJSA-N -1 0 310.284 3.466 20 30 DGEDRM O=C([N-]C[C@H](c1ccccc1)C(F)(F)F)C(F)(F)C(F)F ZINC000275009777 228702937 /nfs/dbraw/zinc/70/29/37/228702937.db2.gz SMDKKRARNGXXOY-MRVPVSSYSA-N -1 0 317.204 3.349 20 30 DGEDRM CCS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@@H]1CC[C@H](C)C1 ZINC000331058186 229016281 /nfs/dbraw/zinc/01/62/81/229016281.db2.gz ANWQTSOTZGGBQI-QWHCGFSZSA-N -1 0 324.446 3.189 20 30 DGEDRM Cc1nc(C)c(C([O-])=C(C#N)c2nccc3ccccc32)nc1C ZINC000342391382 229111615 /nfs/dbraw/zinc/11/16/15/229111615.db2.gz ZEFSWOPTUDZDCA-INIZCTEOSA-N -1 0 316.364 3.440 20 30 DGEDRM N#Cc1ccc(C(=O)Nc2ncc(-c3ccccn3)s2)cc1[O-] ZINC000359387940 268048648 /nfs/dbraw/zinc/04/86/48/268048648.db2.gz KPDPOKFSLQMJRG-UHFFFAOYSA-N -1 0 322.349 3.035 20 30 DGEDRM CCOc1cc(C(=O)[N-]c2sc3c(c2C#N)CCCC3)on1 ZINC000297699809 276369033 /nfs/dbraw/zinc/36/90/33/276369033.db2.gz BVOMNTAQNOVJTL-UHFFFAOYSA-N -1 0 317.370 3.138 20 30 DGEDRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cn2)cc1 ZINC000110121970 431181754 /nfs/dbraw/zinc/18/17/54/431181754.db2.gz ZDJLWWDRFUNMNT-GFCCVEGCSA-N -1 0 315.398 3.268 20 30 DGEDRM CCOc1ncc(C([O-])=C(C#N)c2nc(C)cs2)cc1Cl ZINC000112483386 431279528 /nfs/dbraw/zinc/27/95/28/431279528.db2.gz RVAVPILPTFVAJN-JTQLQIEISA-N -1 0 321.789 3.389 20 30 DGEDRM C[C@H]1CCCC[C@@H]1OCC(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000073288830 431367926 /nfs/dbraw/zinc/36/79/26/431367926.db2.gz JGAKMKKHKXRTPA-JSGCOSHPSA-N -1 0 317.451 3.201 20 30 DGEDRM O=C([N-]S(=O)(=O)CC1CCCCC1)[C@H]1COc2ccccc21 ZINC000073288873 431369077 /nfs/dbraw/zinc/36/90/77/431369077.db2.gz BMWMGIZHFRPROE-AWEZNQCLSA-N -1 0 323.414 3.029 20 30 DGEDRM Cc1csc(C(C#N)=C([O-])c2ccc(C(F)(F)F)nc2)n1 ZINC000073974725 431391400 /nfs/dbraw/zinc/39/14/00/431391400.db2.gz WEDXZIHSCIYQIU-VIFPVBQESA-N -1 0 311.288 3.355 20 30 DGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C2CCCC2)cc1Cl ZINC000080298409 431767395 /nfs/dbraw/zinc/76/73/95/431767395.db2.gz DPHVYEHOLWGUBA-UHFFFAOYSA-N -1 0 301.795 3.484 20 30 DGEDRM Cc1csc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)n1 ZINC000101811049 431989289 /nfs/dbraw/zinc/98/92/89/431989289.db2.gz OCQRGCMCBSPSRA-UHFFFAOYSA-N -1 0 304.419 3.156 20 30 DGEDRM C=CCC[C@@H](NC(=O)Cc1coc2c1ccc(C)c2C)C(=O)[O-] ZINC000262786267 432502220 /nfs/dbraw/zinc/50/22/20/432502220.db2.gz BMGXUSAGGKWBGS-OAHLLOKOSA-N -1 0 315.369 3.128 20 30 DGEDRM C=CCC[C@H](NC(=O)CC1CC(c2ccccc2)C1)C(=O)[O-] ZINC000262949650 432509705 /nfs/dbraw/zinc/50/97/05/432509705.db2.gz QNEFLJIAPTYWER-BCLQGDPASA-N -1 0 301.386 3.106 20 30 DGEDRM C=CCC[C@@H](NC(=O)c1csc2cc(C)ccc12)C(=O)[O-] ZINC000263551633 432556241 /nfs/dbraw/zinc/55/62/41/432556241.db2.gz WQIOPPPQFSZSRN-CYBMUJFWSA-N -1 0 303.383 3.359 20 30 DGEDRM CC(C)(C)[C@@](C)(C#N)NS(=O)(=O)c1ccc(F)cc1Cl ZINC000272534324 432519323 /nfs/dbraw/zinc/51/93/23/432519323.db2.gz ZZCZFJFEINBYIZ-CYBMUJFWSA-N -1 0 318.801 3.086 20 30 DGEDRM C=CCC(CC=C)C(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC000263192376 432526052 /nfs/dbraw/zinc/52/60/52/432526052.db2.gz XWKQZSRLYOROHQ-HNNXBMFYSA-N -1 0 305.349 3.144 20 30 DGEDRM C=C[C@H](CC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccccc1 ZINC000263250039 432530228 /nfs/dbraw/zinc/53/02/28/432530228.db2.gz JEIOVLYWWZVFJM-GDBMZVCRSA-N -1 0 313.397 3.060 20 30 DGEDRM C=CCC[C@@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000263316515 432532561 /nfs/dbraw/zinc/53/25/61/432532561.db2.gz ZSPSLZQYDOIRRW-HZPDHXFCSA-N -1 0 316.401 3.200 20 30 DGEDRM N#C[C@H](NC(=O)c1c([O-])cccc1F)c1ccccc1Cl ZINC000186349412 432584347 /nfs/dbraw/zinc/58/43/47/432584347.db2.gz WDUVKTUBFHOSOY-LBPRGKRZSA-N -1 0 304.708 3.179 20 30 DGEDRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1 ZINC000186492988 432601145 /nfs/dbraw/zinc/60/11/45/432601145.db2.gz SXUAVGSBSZIFBK-UHFFFAOYSA-N -1 0 324.764 3.460 20 30 DGEDRM N#C[C@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1ccccc1Cl ZINC000186811256 432632374 /nfs/dbraw/zinc/63/23/74/432632374.db2.gz NPGQBKAIQUNDPN-ZDUSSCGKSA-N -1 0 322.698 3.318 20 30 DGEDRM CC(C)C[C@@H](Nc1ccc(C#N)cc1Br)C(=O)[O-] ZINC000213268755 432640567 /nfs/dbraw/zinc/64/05/67/432640567.db2.gz PRQSMELFEWEWRM-GFCCVEGCSA-N -1 0 311.179 3.232 20 30 DGEDRM CC(C)O[C@@H]1C[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1(C)C ZINC000274226706 432640758 /nfs/dbraw/zinc/64/07/58/432640758.db2.gz SMLVOGXUGMVDIX-LDBBYCAWSA-N -1 0 306.362 3.311 20 30 DGEDRM CCCn1c2ccccc2nc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188001062 432699451 /nfs/dbraw/zinc/69/94/51/432699451.db2.gz OUGYYIWDZSXMQO-UHFFFAOYSA-N -1 0 320.352 3.276 20 30 DGEDRM CCc1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1C#N ZINC000188145204 432708183 /nfs/dbraw/zinc/70/81/83/432708183.db2.gz NYNYLYSFEDXUIZ-UHFFFAOYSA-N -1 0 304.346 3.061 20 30 DGEDRM CCOc1cc(F)ccc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188330037 432718781 /nfs/dbraw/zinc/71/87/81/432718781.db2.gz NYIBKNKGOPCXBB-UHFFFAOYSA-N -1 0 300.289 3.054 20 30 DGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188371928 432721382 /nfs/dbraw/zinc/72/13/82/432721382.db2.gz UCDHFQTUJDSWNS-UHFFFAOYSA-N -1 0 321.336 3.175 20 30 DGEDRM N#Cc1ccc(NC(=O)CC2(C(=O)[O-])CCCC2)c(Cl)c1 ZINC000225222484 432688039 /nfs/dbraw/zinc/68/80/39/432688039.db2.gz BKSDVKDTMWHTSW-UHFFFAOYSA-N -1 0 306.749 3.185 20 30 DGEDRM N#C[C@H](NC(=O)c1c(F)cc(F)cc1F)c1ccccc1F ZINC000161451305 432780209 /nfs/dbraw/zinc/78/02/09/432780209.db2.gz GMIOCMQOTKIHMU-ZDUSSCGKSA-N -1 0 308.234 3.238 20 30 DGEDRM N#Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)CCC3)cc1[O-] ZINC000188620451 432735308 /nfs/dbraw/zinc/73/53/08/432735308.db2.gz NHUXKUOEIQNPGD-UHFFFAOYSA-N 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SWEGNMOTTDYQIV-LLVKDONJSA-N -1 0 304.334 3.053 20 30 DGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccsc2C)n1 ZINC000453633897 433253071 /nfs/dbraw/zinc/25/30/71/433253071.db2.gz YQUWRNJUWRUNDN-SNVBAGLBSA-N -1 0 320.395 3.180 20 30 DGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccsc2C)n1 ZINC000453633896 433256017 /nfs/dbraw/zinc/25/60/17/433256017.db2.gz YQUWRNJUWRUNDN-JTQLQIEISA-N -1 0 320.395 3.180 20 30 DGEDRM N#CCc1ccc(NC(=O)CC2(C(=O)[O-])CCCC2)c(Cl)c1 ZINC000414084247 433384255 /nfs/dbraw/zinc/38/42/55/433384255.db2.gz FGXSZIAQQZWDCZ-UHFFFAOYSA-N -1 0 320.776 3.380 20 30 DGEDRM Cc1onc(-c2ccccc2C)c1C([O-])=C(C#N)c1ccncn1 ZINC000361791820 433391482 /nfs/dbraw/zinc/39/14/82/433391482.db2.gz FUBYVSINSISDIO-CQSZACIVSA-N -1 0 318.336 3.239 20 30 DGEDRM N#CCCCC(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000291924420 433394770 /nfs/dbraw/zinc/39/47/70/433394770.db2.gz NRSLTKHMTFYROT-UHFFFAOYSA-N -1 0 317.570 3.440 20 30 DGEDRM N#CC1CCC(CNC(=O)c2ccc3[n-]c(=S)oc3c2)CC1 ZINC000282203465 433529613 /nfs/dbraw/zinc/52/96/13/433529613.db2.gz GWXOMVVQJJFFQZ-UHFFFAOYSA-N -1 0 315.398 3.176 20 30 DGEDRM Cc1ncccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362116634 433535104 /nfs/dbraw/zinc/53/51/04/433535104.db2.gz HRRVAFSCLZXJRN-LBPRGKRZSA-N -1 0 305.259 3.294 20 30 DGEDRM N#Cc1cccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC000339411768 433563218 /nfs/dbraw/zinc/56/32/18/433563218.db2.gz DTPSMCZCPWRRFU-UHFFFAOYSA-N -1 0 310.737 3.152 20 30 DGEDRM C=CC[C@@H]1N(C(=O)NCCCCCC(=O)[O-])CCCC1(C)C ZINC000414630868 433757717 /nfs/dbraw/zinc/75/77/17/433757717.db2.gz UXKOZPFSCVEHPS-AWEZNQCLSA-N -1 0 310.438 3.408 20 30 DGEDRM C=CCC(C)(C)C(=O)Nc1n[nH]c(-c2c(F)cccc2F)n1 ZINC000449940025 433880302 /nfs/dbraw/zinc/88/03/02/433880302.db2.gz PRMSOFYEVKROOH-UHFFFAOYSA-N -1 0 306.316 3.291 20 30 DGEDRM N#Cc1cccc(C2(NC(=O)c3ccc([O-])c(Cl)c3)CC2)c1 ZINC000436731754 434087525 /nfs/dbraw/zinc/08/75/25/434087525.db2.gz AUETXWDYISSYPQ-UHFFFAOYSA-N -1 0 312.756 3.336 20 30 DGEDRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(CC#N)cc2)c1 ZINC000436647622 434048637 /nfs/dbraw/zinc/04/86/37/434048637.db2.gz RCRDFXNHNOPQPO-UHFFFAOYSA-N -1 0 308.337 3.303 20 30 DGEDRM CCCOc1ccc(Cl)cc1[N-]S(=O)(=O)[C@H](C#N)CC ZINC000416938663 434258459 /nfs/dbraw/zinc/25/84/59/434258459.db2.gz LMXVSHGBLDEAAL-NSHDSACASA-N -1 0 316.810 3.173 20 30 DGEDRM Cc1cc(C(C#N)=C([O-])c2coc(C3CCCC3)n2)nc(C)n1 ZINC000328686222 434294870 /nfs/dbraw/zinc/29/48/70/434294870.db2.gz GEYNJSMAUUWOTI-CYBMUJFWSA-N -1 0 310.357 3.229 20 30 DGEDRM Cc1cc(C(C#N)=C([O-])c2cc(C3CCCCC3)[nH]n2)nc(C)n1 ZINC000328882644 434319412 /nfs/dbraw/zinc/31/94/12/434319412.db2.gz LWNCSZLOPMROOH-CQSZACIVSA-N -1 0 323.400 3.354 20 30 DGEDRM CC(C)Cc1cccc([C@@H](C)C(=O)Nc2nc(C#N)c(C#N)[n-]2)c1 ZINC000287415658 434355883 /nfs/dbraw/zinc/35/58/83/434355883.db2.gz DJGSIXLDJJTREE-GFCCVEGCSA-N -1 0 321.384 3.094 20 30 DGEDRM Cc1cc(C)cc([C@@H](NCc2cc(C#N)cs2)C(=O)[O-])c1 ZINC000417558012 434437713 /nfs/dbraw/zinc/43/77/13/434437713.db2.gz 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/nfs/dbraw/zinc/21/45/31/433214531.db2.gz AJJFADYWSCRKPU-JTQLQIEISA-N -1 0 303.412 3.449 20 30 DGEDRM C=CCN(C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C1CC1 ZINC000447544407 433222815 /nfs/dbraw/zinc/22/28/15/433222815.db2.gz OHHNQTSTDIMLQG-UHFFFAOYSA-N -1 0 317.776 3.022 20 30 DGEDRM Cc1cc([C@@H](C#N)C(=O)c2ccc(C(C)(C)C#N)cc2)nc(C)n1 ZINC000361665817 433328903 /nfs/dbraw/zinc/32/89/03/433328903.db2.gz ZPYMDAQAURYYBL-MRXNPFEDSA-N -1 0 318.380 3.385 20 30 DGEDRM CC(C)(C)Oc1ccc(NC(=O)CC(C)(C)C(=O)[O-])cc1C#N ZINC000414089918 433388587 /nfs/dbraw/zinc/38/85/87/433388587.db2.gz KJJWSHVNVAMAHP-UHFFFAOYSA-N -1 0 318.373 3.175 20 30 DGEDRM CC(C)n1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)n1 ZINC000362120700 433533149 /nfs/dbraw/zinc/53/31/49/433533149.db2.gz YCJWWINAKOKNNC-NSHDSACASA-N -1 0 322.290 3.368 20 30 DGEDRM C=CCC[C@H](NC(=O)Cc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000448999775 433648943 /nfs/dbraw/zinc/64/89/43/433648943.db2.gz ZBIQGRBDMRFDNI-LBPRGKRZSA-N -1 0 316.184 3.072 20 30 DGEDRM CC1(C)CCc2sc(NC(=O)c3ccc(C#N)c([O-])c3)nc21 ZINC000421955512 433819605 /nfs/dbraw/zinc/81/96/05/433819605.db2.gz FRPZSQCBYATGLU-UHFFFAOYSA-N -1 0 313.382 3.196 20 30 DGEDRM CC(C)c1ncncc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000340036955 433896775 /nfs/dbraw/zinc/89/67/75/433896775.db2.gz CCKWZMYLDOXIPC-NSHDSACASA-N -1 0 306.325 3.231 20 30 DGEDRM C=CCOc1ccc(CNC(=O)CC(CC)(CC)C(=O)[O-])cc1 ZINC000284955679 433908365 /nfs/dbraw/zinc/90/83/65/433908365.db2.gz DDOGMYYCYZEWLI-UHFFFAOYSA-N -1 0 319.401 3.149 20 30 DGEDRM CN(C)c1cc(C#N)cc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000436520311 433990326 /nfs/dbraw/zinc/99/03/26/433990326.db2.gz FKVKKNRGKPRBHY-UHFFFAOYSA-N -1 0 324.315 3.186 20 30 DGEDRM C[C@H]1COCC[C@@H]1C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000285598724 434006841 /nfs/dbraw/zinc/00/68/41/434006841.db2.gz UKGOTLZSQRNLJY-PJVDTXEFSA-N -1 0 312.753 3.045 20 30 DGEDRM C=CCOc1ccccc1C(=O)Nc1cc(C(C)=O)ccc1[O-] ZINC000436681510 434066435 /nfs/dbraw/zinc/06/64/35/434066435.db2.gz RCITVBWSEQVWQM-UHFFFAOYSA-N -1 0 311.337 3.412 20 30 DGEDRM CCNc1ccc(C#N)cc1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000436754502 434095377 /nfs/dbraw/zinc/09/53/77/434095377.db2.gz ZEJHOWQGYQCMTD-UHFFFAOYSA-N -1 0 317.295 3.226 20 30 DGEDRM CN(CC(C)(C)C#N)C(=O)c1c([O-])cc(Cl)cc1Cl ZINC000436986349 434193514 /nfs/dbraw/zinc/19/35/14/434193514.db2.gz FQZSAIDFEQUHTD-UHFFFAOYSA-N -1 0 301.173 3.321 20 30 DGEDRM CC(C)(C)c1cnc([N-]S(=O)(=O)c2cccc(C#N)c2)s1 ZINC000437319974 434246940 /nfs/dbraw/zinc/24/69/40/434246940.db2.gz SYDAXKKMOBXFHL-UHFFFAOYSA-N -1 0 321.427 3.113 20 30 DGEDRM CCSc1ccc(Cl)cc1[N-]S(=O)(=O)[C@@H](C#N)CC ZINC000416956584 434261045 /nfs/dbraw/zinc/26/10/45/434261045.db2.gz NCTFIXFHVJGEKE-SNVBAGLBSA-N -1 0 318.851 3.496 20 30 DGEDRM Cc1ccc([O-])c(C(=O)c2cnn(-c3ccc(C#N)cc3F)c2)c1 ZINC000340581805 434224728 /nfs/dbraw/zinc/22/47/28/434224728.db2.gz AAMZLDPMFMFVPF-UHFFFAOYSA-N -1 0 321.311 3.128 20 30 DGEDRM COc1cc(CNc2ccc(C[C@@H](C)C(=O)[O-])cc2)ccc1C#N ZINC000417610925 434462559 /nfs/dbraw/zinc/46/25/59/434462559.db2.gz OHNZNDBMRGRQDN-CYBMUJFWSA-N -1 0 324.380 3.442 20 30 DGEDRM CCn1nc(/C=C/c2nc(C(=O)[O-])ccc2C#N)c2ccccc21 ZINC000349046438 434587717 /nfs/dbraw/zinc/58/77/17/434587717.db2.gz KKDYBHPCYAVAOT-MDZDMXLPSA-N -1 0 318.336 3.191 20 30 DGEDRM CC(C)(C#N)c1ccc(NC(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC000424480007 434729277 /nfs/dbraw/zinc/72/92/77/434729277.db2.gz YCHBCPGHLITMQI-UHFFFAOYSA-N -1 0 317.389 3.110 20 30 DGEDRM N#C[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccccc1F ZINC000446091392 434850158 /nfs/dbraw/zinc/85/01/58/434850158.db2.gz PXEVMRMRSVNFIP-CYBMUJFWSA-N -1 0 322.698 3.318 20 30 DGEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc2oc(C(C)(C)C)nc2c1 ZINC000462071099 434899661 /nfs/dbraw/zinc/89/96/61/434899661.db2.gz JUWMTHAOYNGJHC-NSHDSACASA-N -1 0 321.402 3.169 20 30 DGEDRM C=CCCC[C@H](C)NC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000562431996 435258806 /nfs/dbraw/zinc/25/88/06/435258806.db2.gz VLYCDKCMVYIYHD-ZFWWWQNUSA-N -1 0 304.390 3.199 20 30 DGEDRM C=CCOc1cccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)c1 ZINC000509692561 435311545 /nfs/dbraw/zinc/31/15/45/435311545.db2.gz FLVTYFURMQHFMV-VURMDHGXSA-N -1 0 306.321 3.387 20 30 DGEDRM C[C@@H]1CCc2onc(C([O-])=C(C#N)c3nc4ccccc4o3)c2C1 ZINC000571372325 435700610 /nfs/dbraw/zinc/70/06/10/435700610.db2.gz NGAGFMALJYTRIB-PWSUYJOCSA-N -1 0 321.336 3.431 20 30 DGEDRM C=CC[C@@H]1N(C(=O)NC[C@H](C(=O)[O-])C(C)C)CCCC1(C)C ZINC000655898818 435857365 /nfs/dbraw/zinc/85/73/65/435857365.db2.gz XVAZGQUXORBDHL-KBPBESRZSA-N -1 0 310.438 3.120 20 30 DGEDRM Cc1cc(=O)[nH]c(C(C)(C)NCC#Cc2cccc(Cl)c2)n1 ZINC000660751963 435880664 /nfs/dbraw/zinc/88/06/64/435880664.db2.gz QCIRJYRBXGIFLX-UHFFFAOYSA-N -1 0 315.804 3.020 20 30 DGEDRM CCCc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)n[nH]1 ZINC000647374747 436034065 /nfs/dbraw/zinc/03/40/65/436034065.db2.gz KLXIHRWRFUWEQJ-NSHDSACASA-N -1 0 300.387 3.186 20 30 DGEDRM N#CC(=C([O-])c1cnn2ccccc12)c1nc(C2CC2)cs1 ZINC000647378071 436035503 /nfs/dbraw/zinc/03/55/03/436035503.db2.gz OWEMTWSUHMUHDG-NSHDSACASA-N -1 0 308.366 3.158 20 30 DGEDRM CC(C)n1nccc1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000647378196 436036566 /nfs/dbraw/zinc/03/65/66/436036566.db2.gz DGPUWXRYCJDPGD-NSHDSACASA-N -1 0 300.387 3.288 20 30 DGEDRM N#CC(=C([O-])c1cc(-c2ccoc2)[nH]n1)c1nc(C2CC2)cs1 ZINC000647376911 436036637 /nfs/dbraw/zinc/03/66/37/436036637.db2.gz CCHUWBKRNGBARV-NSHDSACASA-N -1 0 324.365 3.494 20 30 DGEDRM CCCn1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cn1 ZINC000647379031 436036727 /nfs/dbraw/zinc/03/67/27/436036727.db2.gz WSXYWGWOSKHNBU-GFCCVEGCSA-N -1 0 300.387 3.117 20 30 DGEDRM C=CC[C@H](CC)NC(=O)N[C@H](C(=O)[O-])c1cccc(C)c1C ZINC000654810377 436467310 /nfs/dbraw/zinc/46/73/10/436467310.db2.gz DJEHUWTUJVDRSE-ZFWWWQNUSA-N -1 0 304.390 3.083 20 30 DGEDRM Cn1ncc(C2CC2)c1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000659011029 436456538 /nfs/dbraw/zinc/45/65/38/436456538.db2.gz AZNYQJSOKXOCJF-NSHDSACASA-N -1 0 322.393 3.397 20 30 DGEDRM CCCCCc1cc(C([O-])=C(C#N)c2nc(C)cs2)n[nH]1 ZINC000659010254 436457293 /nfs/dbraw/zinc/45/72/93/436457293.db2.gz KOASWHIYBAFWOX-GFCCVEGCSA-N -1 0 302.403 3.397 20 30 DGEDRM C=CC[C@@H](CC)NC(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1C ZINC000654810376 436467692 /nfs/dbraw/zinc/46/76/92/436467692.db2.gz DJEHUWTUJVDRSE-UKRRQHHQSA-N -1 0 304.390 3.083 20 30 DGEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000181141932 323246826 /nfs/dbraw/zinc/24/68/26/323246826.db2.gz COCPKFKWEXKCLK-UHFFFAOYSA-N -1 0 310.737 3.152 20 30 DGEDRM C=CCCC[C@@H](C)NC(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000559575235 332272354 /nfs/dbraw/zinc/27/23/54/332272354.db2.gz XFLSYYSXVKZPFJ-CQSZACIVSA-N -1 0 304.390 3.028 20 30 DGEDRM C=CCC[C@@H](NC(=O)N[C@@H]1CCc2c1cccc2Cl)C(=O)[O-] ZINC000566546620 332471296 /nfs/dbraw/zinc/47/12/96/332471296.db2.gz KNNDVOLDQTZXQX-ZIAGYGMSSA-N -1 0 322.792 3.046 20 30 DGEDRM C=CCC1(CNC(=O)N2CCC[C@@H](CC(=O)[O-])C2)CCCC1 ZINC000571651312 334045612 /nfs/dbraw/zinc/04/56/12/334045612.db2.gz WHCFPGXZLFLNOJ-AWEZNQCLSA-N -1 0 308.422 3.019 20 30 DGEDRM C=C(C)COc1cccc(NC(=O)N[C@](C)(CC)C(=O)[O-])c1 ZINC000516236950 338008260 /nfs/dbraw/zinc/00/82/60/338008260.db2.gz QUKKDDAEVJNEEM-MRXNPFEDSA-N -1 0 306.362 3.016 20 30 DGEDRM N#CCc1ccccc1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000193358516 340576609 /nfs/dbraw/zinc/57/66/09/340576609.db2.gz GUKLPYHQNYRMRK-UHFFFAOYSA-N -1 0 324.764 3.346 20 30 DGEDRM N#CCc1ccccc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000193360318 340576730 /nfs/dbraw/zinc/57/67/30/340576730.db2.gz HOGCLTRPLMJZCJ-UHFFFAOYSA-N -1 0 323.377 3.102 20 30 DGEDRM CCCn1nc(C)c(C([O-])=C(C#N)c2nc(C)cs2)c1C ZINC000134110994 341206793 /nfs/dbraw/zinc/20/67/93/341206793.db2.gz YRRCRHJBPDZQPY-LBPRGKRZSA-N -1 0 302.403 3.165 20 30 DGEDRM CC[C@](C)(C#N)NC(=O)c1ccc(C(=O)c2cccc(O)c2)cc1 ZINC000548689700 341269516 /nfs/dbraw/zinc/26/95/16/341269516.db2.gz SYCNTTKRWZMIFO-LJQANCHMSA-N -1 0 322.364 3.045 20 30 DGEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc3nccnc3n2)n1 ZINC000551937403 341355563 /nfs/dbraw/zinc/35/55/63/341355563.db2.gz VXHNXOCBSORMKV-SNVBAGLBSA-N -1 0 323.381 3.095 20 30 DGEDRM Cc1c(C#N)cccc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000338690028 533718751 /nfs/dbraw/zinc/71/87/51/533718751.db2.gz YHEMWIRTCMODNV-OAHLLOKOSA-N -1 0 312.332 3.300 20 30 DGEDRM Cc1cc(C)cc([N-]S(=O)(=O)c2cccc(C)c2C#N)c1 ZINC000441371661 534082133 /nfs/dbraw/zinc/08/21/33/534082133.db2.gz MVWLDZIUCDMXDL-UHFFFAOYSA-N -1 0 300.383 3.284 20 30 DGEDRM C[C@H](Cc1ccc(NC(=O)c2ccc(CC#N)cc2)cc1)C(=O)[O-] ZINC000432009564 534143268 /nfs/dbraw/zinc/14/32/68/534143268.db2.gz WVGNVPRWLYZDIK-CYBMUJFWSA-N -1 0 322.364 3.268 20 30 DGEDRM C=CCC(CC=C)C(=O)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000455962467 534569055 /nfs/dbraw/zinc/56/90/55/534569055.db2.gz YSBGQQGWWFXBAK-WMLDXEAASA-N -1 0 315.413 3.203 20 30 DGEDRM C=CCC(CC=C)C(=O)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000455962465 534570559 /nfs/dbraw/zinc/57/05/59/534570559.db2.gz YSBGQQGWWFXBAK-RHSMWYFYSA-N -1 0 315.413 3.203 20 30 DGEDRM C=CCC1(C(=O)NC[C@@](C)(C(=O)[O-])c2ccc(F)cc2)CCC1 ZINC000450523769 534587654 /nfs/dbraw/zinc/58/76/54/534587654.db2.gz JOLHUQBXKYRWIK-QGZVFWFLSA-N -1 0 319.376 3.031 20 30 DGEDRM N#C[C@H](NC(=O)c1c([O-])cccc1F)c1ccc(Cl)cc1 ZINC000436988253 534744132 /nfs/dbraw/zinc/74/41/32/534744132.db2.gz LAIACGQCUMOAAV-LBPRGKRZSA-N -1 0 304.708 3.179 20 30 DGEDRM Cc1coc2ccc([N-]S(=O)(=O)c3ccc(C#N)s3)cc12 ZINC000435488768 534752795 /nfs/dbraw/zinc/75/27/95/534752795.db2.gz FLLVGEGSNURMAL-UHFFFAOYSA-N -1 0 318.379 3.475 20 30 DGEDRM C=CCN(Cc1ccccc1)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000347335523 526353809 /nfs/dbraw/zinc/35/38/09/526353809.db2.gz BPQRZINCESLEBM-UHFFFAOYSA-N -1 0 309.365 3.142 20 30 DGEDRM C=CCN(Cc1cccs1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000183968020 526373845 /nfs/dbraw/zinc/37/38/45/526373845.db2.gz WFRRDIDKYSREKN-CHWSQXEVSA-N -1 0 307.415 3.154 20 30 DGEDRM C=CCN(Cc1cccs1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356229038 526375745 /nfs/dbraw/zinc/37/57/45/526375745.db2.gz UOXPVGQCGKNDDE-UHFFFAOYSA-N -1 0 318.354 3.190 20 30 DGEDRM C=C(C)C[C@H](C)C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000192921038 526712722 /nfs/dbraw/zinc/71/27/22/526712722.db2.gz UPLAPGFUYZMIKU-GOEBONIOSA-N -1 0 303.402 3.181 20 30 DGEDRM CC(C)(C)n1cnc(NC(=O)c2cc(F)cc(Cl)c2[O-])n1 ZINC000331237413 526934173 /nfs/dbraw/zinc/93/41/73/526934173.db2.gz MZAQWFNQRVXIJY-UHFFFAOYSA-N -1 0 312.732 3.168 20 30 DGEDRM C=CCOc1cccnc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000341561553 526969878 /nfs/dbraw/zinc/96/98/78/526969878.db2.gz UQVXUURSSIJKSU-LBPRGKRZSA-N -1 0 319.320 3.278 20 30 DGEDRM C=CCCC[C@H](C)NC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000343520763 527295750 /nfs/dbraw/zinc/29/57/50/527295750.db2.gz HLMWCLOEBRXPJK-LBPRGKRZSA-N -1 0 317.364 3.192 20 30 DGEDRM C=C[C@@H](CC(=O)NC[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000431525442 527422201 /nfs/dbraw/zinc/42/22/01/527422201.db2.gz PJLRRUSXSNKYGF-YJBOKZPZSA-N -1 0 323.392 3.331 20 30 DGEDRM C=CCC[C@@H](NC(=O)Cc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000262909723 527438625 /nfs/dbraw/zinc/43/86/25/527438625.db2.gz NAYUDTXXIFOGKH-GFCCVEGCSA-N -1 0 316.184 3.072 20 30 DGEDRM C=CCC[C@H](NC(=O)c1sc2ccc(F)cc2c1C)C(=O)[O-] ZINC000262803712 527482572 /nfs/dbraw/zinc/48/25/72/527482572.db2.gz CVBKAWHMPGWURL-LBPRGKRZSA-N -1 0 321.373 3.498 20 30 DGEDRM CC(=Cc1cnc(C(C)C)s1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435337935 527508581 /nfs/dbraw/zinc/50/85/81/527508581.db2.gz ZZDJAJCKPXATGT-UITAMQMPSA-N -1 0 300.387 3.090 20 30 DGEDRM C=CCN(C)C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000157380328 527569591 /nfs/dbraw/zinc/56/95/91/527569591.db2.gz WRRVBALIARBSRJ-UHFFFAOYSA-N -1 0 304.571 3.066 20 30 DGEDRM CC(C)c1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)n[nH]1 ZINC000362170889 528042462 /nfs/dbraw/zinc/04/24/62/528042462.db2.gz HSQRFDKHHUOBOH-SNVBAGLBSA-N -1 0 322.290 3.437 20 30 DGEDRM CCCc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)ccn1 ZINC000355404263 528597839 /nfs/dbraw/zinc/59/78/39/528597839.db2.gz PJBPZXIGONYOHC-HNNXBMFYSA-N -1 0 316.364 3.467 20 30 DGEDRM CCC(CC)CN(CCC#N)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000088411518 528748579 /nfs/dbraw/zinc/74/85/79/528748579.db2.gz OOHMDAIAIOYRBW-UHFFFAOYSA-N -1 0 319.361 3.092 20 30 DGEDRM CCCn1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cn1 ZINC000362193861 528839576 /nfs/dbraw/zinc/83/95/76/528839576.db2.gz XRXDIRSBCAZCRX-GFCCVEGCSA-N -1 0 322.290 3.197 20 30 DGEDRM CC(C)[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])C(=O)OC(C)(C)C ZINC000159852530 528899237 /nfs/dbraw/zinc/89/92/37/528899237.db2.gz QGGKKCWUKULZGV-VEJKBTLKSA-N -1 0 322.361 3.086 20 30 DGEDRM CCCc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)n[nH]1 ZINC000080449515 545763536 /nfs/dbraw/zinc/76/35/36/545763536.db2.gz NJAQWRMAAFMPEY-LLVKDONJSA-N -1 0 302.403 3.432 20 30 DGEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1coc(C2CCC2)n1 ZINC000195260824 546254335 /nfs/dbraw/zinc/25/43/35/546254335.db2.gz XLMWHKKSCAGVPB-LBPRGKRZSA-N -1 0 320.352 3.319 20 30 DGEDRM Cn1nc(C([O-])=C(C#N)c2nccc3ccccc32)cc1C1CC1 ZINC000682994978 549410120 /nfs/dbraw/zinc/41/01/20/549410120.db2.gz NOGLECVSEXNLGR-HNNXBMFYSA-N -1 0 316.364 3.336 20 30 DGEDRM CCCc1cc(C([O-])=C(C#N)c2nccc3ccccc32)n[nH]1 ZINC000682995347 549410511 /nfs/dbraw/zinc/41/05/11/549410511.db2.gz TWVABSVLQAZSRT-OAHLLOKOSA-N -1 0 304.353 3.400 20 30 DGEDRM C=C[C@@H](CC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000683306907 549466585 /nfs/dbraw/zinc/46/65/85/549466585.db2.gz HEDXUDVLBLOVLB-MGPUTAFESA-N -1 0 323.392 3.463 20 30 DGEDRM Cc1nc(C([O-])=C(C#N)c2cnc3ccccc3n2)sc1C ZINC000683692060 549520177 /nfs/dbraw/zinc/52/01/77/549520177.db2.gz NPCLVQCGKNVLPB-LLVKDONJSA-N -1 0 308.366 3.193 20 30 DGEDRM C=CCCC[C@H](C)NC(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000684731737 549685650 /nfs/dbraw/zinc/68/56/50/549685650.db2.gz BEBRWWRVJCZAQE-HOCLYGCPSA-N -1 0 318.417 3.473 20 30 DGEDRM N#CC(=C([O-])c1cccc(C#N)n1)c1nc2ccccc2s1 ZINC000685782622 549792454 /nfs/dbraw/zinc/79/24/54/549792454.db2.gz XUJZXJOMFAOEQP-LLVKDONJSA-N -1 0 304.334 3.053 20 30 DGEDRM C#CCOc1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)cc1 ZINC000731040609 574542002 /nfs/dbraw/zinc/54/20/02/574542002.db2.gz 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574893018 /nfs/dbraw/zinc/89/30/18/574893018.db2.gz ACXYMQPMNAQTFT-UHFFFAOYSA-N -1 0 316.748 3.351 20 30 DGEDRM N#Cc1ccc(N[C@H]2CCCN(C(=O)[O-])C2)c(C(F)(F)F)c1 ZINC000739121370 574893100 /nfs/dbraw/zinc/89/31/00/574893100.db2.gz OUYCGABIZDGBDP-JTQLQIEISA-N -1 0 313.279 3.131 20 30 DGEDRM Cn1cccc1[C@H](O)C/N=C\c1cc(Cl)cc(Cl)c1[O-] ZINC000741466596 574958614 /nfs/dbraw/zinc/95/86/14/574958614.db2.gz XDSVFNSWMIYFHY-QDLULRBISA-N -1 0 313.184 3.190 20 30 DGEDRM COc1cccc(F)c1C(C)=NNc1ccccc1C(=O)[O-] ZINC000741812507 574972582 /nfs/dbraw/zinc/97/25/82/574972582.db2.gz WGZJZDASYFQVFN-UHFFFAOYSA-N -1 0 302.305 3.369 20 30 DGEDRM Cc1cc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)ccc1F ZINC000729150452 575220612 /nfs/dbraw/zinc/22/06/12/575220612.db2.gz OCTOXQNPDRMDFT-SOFGYWHQSA-N -1 0 314.312 3.494 20 30 DGEDRM O=C([O-])c1cc(C(=O)/C=C/c2ccc3c(c2)CCO3)cs1 ZINC000730150384 575276812 /nfs/dbraw/zinc/27/68/12/575276812.db2.gz TUGMOEAXXOKASQ-HNQUOIGGSA-N -1 0 300.335 3.277 20 30 DGEDRM 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319.223 3.186 20 30 DGEDRM CC1(C#N)CN(Cc2cc(Cl)c([O-])c(Br)c2)C1 ZINC001231746543 1097831859 /nfs/dbraw/zinc/83/18/59/1097831859.db2.gz WLLIPFGUWXOSOV-UHFFFAOYSA-N -1 0 315.598 3.154 20 30 DGEDRM N#Cc1cc(Nc2cnn([C@H]3CCCCO3)c2)c([O-])cc1F ZINC001174604452 1097790935 /nfs/dbraw/zinc/79/09/35/1097790935.db2.gz KFTOPGKGKATRFR-OAHLLOKOSA-N -1 0 302.309 3.042 20 30 DGEDRM COc1cc(C(=O)[O-])ccc1Nc1cc(F)c(F)c(C#N)c1F ZINC001174679890 1097798251 /nfs/dbraw/zinc/79/82/51/1097798251.db2.gz JOTKASGBIUUREV-UHFFFAOYSA-N -1 0 322.242 3.426 20 30 DGEDRM N#C[C@H]1CCN(Cc2ccccc2-c2ccccc2C(=O)[O-])C1 ZINC001231679457 1097815929 /nfs/dbraw/zinc/81/59/29/1097815929.db2.gz KUDIOECSEVUGRL-CQSZACIVSA-N -1 0 306.365 3.397 20 30 DGEDRM N#Cc1ccccc1OC1CN(Cc2cccc(Cl)c2[O-])C1 ZINC001231913923 1097892169 /nfs/dbraw/zinc/89/21/69/1097892169.db2.gz UJEUKWJKWVGLNS-UHFFFAOYSA-N -1 0 314.772 3.180 20 30 DGEDRM N#Cc1c(F)c(F)cc(Nc2ccc(CC(=O)[O-])cc2)c1F ZINC001174957217 1097901091 /nfs/dbraw/zinc/90/10/91/1097901091.db2.gz 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N#Cc1ccc(F)c(F)c1NC(=O)c1c(F)ccc(F)c1[O-] ZINC001192716315 1100658119 /nfs/dbraw/zinc/65/81/19/1100658119.db2.gz MUDTUBGZCZPZQO-UHFFFAOYSA-N -1 0 310.206 3.073 20 30 DGEDRM C[C@H](NC(=O)c1ccc(F)c(F)c1[O-])c1cccc(C#N)c1 ZINC001192810086 1100665255 /nfs/dbraw/zinc/66/52/55/1100665255.db2.gz BNGOHCVXWJHRTM-VIFPVBQESA-N -1 0 302.280 3.033 20 30 DGEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc([O-])c(F)c1F ZINC001192828382 1100667006 /nfs/dbraw/zinc/66/70/06/1100667006.db2.gz SCMLJXJOZRZRSY-UHFFFAOYSA-N -1 0 319.311 3.351 20 30 DGEDRM N#CCS(=O)(=O)[N-]c1ccc(Cl)cc1-c1ccccc1 ZINC001192985618 1100684342 /nfs/dbraw/zinc/68/43/42/1100684342.db2.gz JNLXWXYQRBKUMM-UHFFFAOYSA-N -1 0 306.774 3.272 20 30 DGEDRM Cc1coc(NC(=O)c2cc(Cl)nc(Cl)c2[O-])c1C#N ZINC001193083876 1100700998 /nfs/dbraw/zinc/70/09/98/1100700998.db2.gz ZUEPEZDSGARLOY-UHFFFAOYSA-N -1 0 312.112 3.119 20 30 DGEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1-c1ccc(Cl)cn1 ZINC001193161150 1100714092 /nfs/dbraw/zinc/71/40/92/1100714092.db2.gz MEQNPYAEWWRZQK-JTQLQIEISA-N -1 0 321.789 3.056 20 30 DGEDRM N#Cc1cc(C(=O)Nc2cnnc3ccc(Cl)cc32)ccc1[O-] ZINC001193499423 1100753100 /nfs/dbraw/zinc/75/31/00/1100753100.db2.gz QSPYVBNCFUMGAO-UHFFFAOYSA-N -1 0 324.727 3.113 20 30 DGEDRM Cc1ccc2[nH]cc(CN(C)C(=O)c3ccc([O-])c(C#N)c3)c2c1 ZINC001193504277 1100757347 /nfs/dbraw/zinc/75/73/47/1100757347.db2.gz POMGSXDUPTTZNC-UHFFFAOYSA-N -1 0 319.364 3.326 20 30 DGEDRM Cc1ccc(NC(=O)c2ccc([O-])c(C#N)c2)cc1OC(F)F ZINC001193506879 1100757498 /nfs/dbraw/zinc/75/74/98/1100757498.db2.gz ZZHDHUADJLLVLL-UHFFFAOYSA-N -1 0 318.279 3.426 20 30 DGEDRM N#Cc1cc(C(=O)Nc2cccc3cc(O)ccc32)ccc1[O-] ZINC001193506511 1100757539 /nfs/dbraw/zinc/75/75/39/1100757539.db2.gz SMRVYPWNQVSLMC-UHFFFAOYSA-N -1 0 304.305 3.375 20 30 DGEDRM COc1ccc([C@H](C)N(C)C(=O)c2ccc([O-])c(C#N)c2)cc1 ZINC001193505501 1100757645 /nfs/dbraw/zinc/75/76/45/1100757645.db2.gz ZGHIRAHVRSTFED-LBPRGKRZSA-N -1 0 310.353 3.106 20 30 DGEDRM Cc1ccc2cccnc2c1NC(=O)c1ccc([O-])c(C#N)c1 ZINC001193504335 1100757682 /nfs/dbraw/zinc/75/76/82/1100757682.db2.gz BMTHQKSIFXZRHN-UHFFFAOYSA-N -1 0 303.321 3.373 20 30 DGEDRM N#Cc1cc(C(=O)N2CC[C@H](c3ccccc3F)C2)ccc1[O-] ZINC001193504373 1100757747 /nfs/dbraw/zinc/75/77/47/1100757747.db2.gz QTYJSIAZRWJVDY-ZDUSSCGKSA-N -1 0 310.328 3.033 20 30 DGEDRM COc1cc(NC(=O)c2ccc([O-])c(C#N)c2)cc2cccnc21 ZINC001193511628 1100758537 /nfs/dbraw/zinc/75/85/37/1100758537.db2.gz DUUXXWVSSKDSKA-UHFFFAOYSA-N -1 0 319.320 3.073 20 30 DGEDRM N#Cc1cc(C(=O)NCc2cccc(C(F)F)c2)ccc1[O-] ZINC001193512016 1100758610 /nfs/dbraw/zinc/75/86/10/1100758610.db2.gz JDRPWPRRQGRLPR-UHFFFAOYSA-N -1 0 302.280 3.131 20 30 DGEDRM N#Cc1cc(Cl)cc(Cl)c1[N-]S(=O)(=O)CC1CCC1 ZINC001193514251 1100759138 /nfs/dbraw/zinc/75/91/38/1100759138.db2.gz PSBOYTUGZGRUMI-UHFFFAOYSA-N -1 0 319.213 3.407 20 30 DGEDRM N#Cc1cccc(C(=O)Nc2ccnc(Cl)c2Cl)c1[O-] ZINC001193635299 1100777439 /nfs/dbraw/zinc/77/74/39/1100777439.db2.gz RDROTBGMOHOFTC-UHFFFAOYSA-N -1 0 308.124 3.218 20 30 DGEDRM Cc1ccc2nc(NC(=O)c3cccc(C#N)c3[O-])sc2c1 ZINC001193634312 1100778181 /nfs/dbraw/zinc/77/81/81/1100778181.db2.gz BXANKSBNHBMMNH-UHFFFAOYSA-N -1 0 309.350 3.434 20 30 DGEDRM Cc1cc(C)cc(OC[C@@H](C)NC(=O)c2cccc(C#N)c2[O-])c1 ZINC001193652352 1100784582 /nfs/dbraw/zinc/78/45/82/1100784582.db2.gz FRHIGKXONPLUCX-CQSZACIVSA-N -1 0 324.380 3.078 20 30 DGEDRM N#Cc1cccc(C(=O)Nc2cc3ccccc3cc2O)c1[O-] ZINC001193652406 1100785311 /nfs/dbraw/zinc/78/53/11/1100785311.db2.gz HNUHOOIFSITEPU-UHFFFAOYSA-N -1 0 304.305 3.375 20 30 DGEDRM CC(C)C[C@H](NC(=O)c1cccc(C#N)c1[O-])c1ccccn1 ZINC001193660309 1100785904 /nfs/dbraw/zinc/78/59/04/1100785904.db2.gz WTPZTPKSLKEOIY-INIZCTEOSA-N -1 0 309.369 3.176 20 30 DGEDRM CC(C)Oc1ccc(CCNC(=O)c2cccc(C#N)c2[O-])cc1 ZINC001193658250 1100786111 /nfs/dbraw/zinc/78/61/11/1100786111.db2.gz ZWOYJVXOBCFJIB-UHFFFAOYSA-N -1 0 324.380 3.024 20 30 DGEDRM N#Cc1cccc(C(=O)N[C@@H](c2ccccc2)C(F)(F)F)c1[O-] ZINC001193658075 1100786218 /nfs/dbraw/zinc/78/62/18/1100786218.db2.gz 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C=C(C)C[C@H](NC(=O)Nc1cc(C)c(C)cc1Cl)C(=O)[O-] ZINC000900337573 619420056 /nfs/dbraw/zinc/42/00/56/619420056.db2.gz KAVBPYAHNNYLFA-ZDUSSCGKSA-N -1 0 310.781 3.498 20 30 DGEDRM C=C(C)c1cccc(NC(=O)N[C@H](CC(F)(F)F)C(=O)[O-])c1 ZINC000900354850 619423380 /nfs/dbraw/zinc/42/33/80/619423380.db2.gz BGQVELLCBPXDAV-LLVKDONJSA-N -1 0 316.279 3.247 20 30 DGEDRM Cc1nn(C(C)C)c(C)c1C=NNc1ccc(CC(=O)[O-])cc1 ZINC000901261770 619482055 /nfs/dbraw/zinc/48/20/55/619482055.db2.gz OCIYKIJUIHDYOF-UHFFFAOYSA-N -1 0 314.389 3.154 20 30 DGEDRM O=C([O-])c1cc(C=NNC[C@H]2CCCC2(F)F)sc1Cl ZINC000901270946 619482720 /nfs/dbraw/zinc/48/27/20/619482720.db2.gz DWTGALLLYZBILC-SSDOTTSWSA-N -1 0 322.764 3.459 20 30 DGEDRM C=CCCC[C@H](C(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000901441263 619501869 /nfs/dbraw/zinc/50/18/69/619501869.db2.gz HVVUYRQDIVQLGV-CVEARBPZSA-N -1 0 301.386 3.060 20 30 DGEDRM C=CCCC[C@@H](C(=O)NCC(C)(C)C(=O)[O-])c1ccccc1 ZINC000901486597 619509834 /nfs/dbraw/zinc/50/98/34/619509834.db2.gz 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C=CCC[C@H](NC(=O)C[C@H](C)c1c[nH]c2ccccc21)C(=O)[O-] ZINC000909711447 620252975 /nfs/dbraw/zinc/25/29/75/620252975.db2.gz BOMOGJUIQDYKDG-LRDDRELGSA-N -1 0 314.385 3.197 20 30 DGEDRM C=C1CCC(C(=O)N[C@@H](C)[C@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000909826120 620256057 /nfs/dbraw/zinc/25/60/57/620256057.db2.gz ZHVFZBXORNOPBO-YOEHRIQHSA-N -1 0 315.413 3.181 20 30 DGEDRM C=C[C@](C)(CC)C(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000909823403 620257628 /nfs/dbraw/zinc/25/76/28/620257628.db2.gz ONDLXRMMAPLGAO-DHSIGJKJSA-N -1 0 303.402 3.037 20 30 DGEDRM C=C[C@](C)(CC)C(=O)NC[C@@](CC)(C(=O)[O-])c1ccccc1 ZINC000909846018 620259449 /nfs/dbraw/zinc/25/94/49/620259449.db2.gz RISCCYPXSANHCH-QZTJIDSGSA-N -1 0 303.402 3.138 20 30 DGEDRM C#CCC1(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CCCCC1 ZINC000909846800 620259574 /nfs/dbraw/zinc/25/95/74/620259574.db2.gz NPCPTTIDLCBGMV-UHFFFAOYSA-N -1 0 317.360 3.365 20 30 DGEDRM C=C[C@](C)(CC)C(=O)NC[C@](CC)(C(=O)[O-])c1ccccc1 ZINC000909846017 620259599 /nfs/dbraw/zinc/25/95/99/620259599.db2.gz RISCCYPXSANHCH-MSOLQXFVSA-N -1 0 303.402 3.138 20 30 DGEDRM C=CC(C)(C)CC(=O)N1CCC[C@]1(Cc1ccccc1)C(=O)[O-] ZINC000910108481 620274563 /nfs/dbraw/zinc/27/45/63/620274563.db2.gz SDWMSNUXLNVRSF-IBGZPJMESA-N -1 0 315.413 3.277 20 30 DGEDRM C=CCC(CC=C)C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])cs1 ZINC000910115711 620275346 /nfs/dbraw/zinc/27/53/46/620275346.db2.gz UJTZUOJIWVLKMF-ZDUSSCGKSA-N -1 0 320.414 3.273 20 30 DGEDRM C=CCCC[C@H](C(=O)N[C@@H]1CC=C(C(=O)[O-])C1)c1ccccc1 ZINC000910196652 620276874 /nfs/dbraw/zinc/27/68/74/620276874.db2.gz AKWGZMUZGZWKIZ-SJORKVTESA-N -1 0 313.397 3.416 20 30 DGEDRM C=C[C@](C)(CC)C(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000910212687 620279885 /nfs/dbraw/zinc/27/98/85/620279885.db2.gz RGEGCPKXHSWOCD-MRXNPFEDSA-N -1 0 322.430 3.150 20 30 DGEDRM C=CCC1(CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)CCCC1 ZINC000910240869 620280404 /nfs/dbraw/zinc/28/04/04/620280404.db2.gz DILLOVUBQSMVKU-UHFFFAOYSA-N -1 0 305.418 3.274 20 30 DGEDRM C=C(Cl)C[C@H](NC(=O)CCCCc1ccccc1)C(=O)[O-] ZINC000910269506 620281918 /nfs/dbraw/zinc/28/19/18/620281918.db2.gz BXQTZHPDOQNXCG-AWEZNQCLSA-N -1 0 309.793 3.111 20 30 DGEDRM C=CCCC(C)(C)CNC(=O)c1ccccc1CCC(=O)[O-] ZINC000910279933 620283246 /nfs/dbraw/zinc/28/32/46/620283246.db2.gz GRZKJLDOUKCVCE-UHFFFAOYSA-N -1 0 303.402 3.426 20 30 DGEDRM C=C(C)C[C@@H](NC(=O)c1cc(C)cc2c(C)ccnc12)C(=O)[O-] ZINC000910293974 620286893 /nfs/dbraw/zinc/28/68/93/620286893.db2.gz MSMBWDCYPQUHLF-OAHLLOKOSA-N -1 0 312.369 3.001 20 30 DGEDRM C=C[C@@H](CC(=O)N[C@H](CC(=O)[O-])C1CCCC1)c1ccccc1 ZINC000910569087 620299563 /nfs/dbraw/zinc/29/95/63/620299563.db2.gz MMNWZCSKFSNBHO-WMLDXEAASA-N -1 0 315.413 3.496 20 30 DGEDRM C=CCC(CC=C)C(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2 ZINC000910676518 620305057 /nfs/dbraw/zinc/30/50/57/620305057.db2.gz DXIQTEMTZOSDOT-LLVKDONJSA-N -1 0 320.414 3.040 20 30 DGEDRM C=CCCC[C@@H](NC(=O)c1cnc2ccccc2c1C)C(=O)[O-] ZINC000910912779 620317369 /nfs/dbraw/zinc/31/73/69/620317369.db2.gz OQOLSYFFGMEGAO-MRXNPFEDSA-N -1 0 312.369 3.083 20 30 DGEDRM C=CCCC[C@@H](NC(=O)C[C@H](C)c1ccc(OC)cc1)C(=O)[O-] ZINC000910910918 620317454 /nfs/dbraw/zinc/31/74/54/620317454.db2.gz BDDPLPGXFLSTBC-XJKSGUPXSA-N -1 0 319.401 3.115 20 30 DGEDRM C=CCCC[C@@H](NC(=O)c1cc2ccccc2nc1C)C(=O)[O-] ZINC000910912636 620317456 /nfs/dbraw/zinc/31/74/56/620317456.db2.gz NGJXZSVPKLSUFG-MRXNPFEDSA-N -1 0 312.369 3.083 20 30 DGEDRM C=CCCC[C@@H](NC(=O)CC(C)(C)CC(F)(F)F)C(=O)[O-] ZINC000910923678 620317908 /nfs/dbraw/zinc/31/79/08/620317908.db2.gz VIYJIYCOQQGAGR-SNVBAGLBSA-N -1 0 309.328 3.281 20 30 DGEDRM C=CCCC[C@H](NC(=O)c1scnc1C1CCCC1)C(=O)[O-] ZINC000910927101 620318268 /nfs/dbraw/zinc/31/82/68/620318268.db2.gz WYTDVZASNQJBBW-LBPRGKRZSA-N -1 0 322.430 3.340 20 30 DGEDRM C=CCn1ncc2ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc21 ZINC000911077022 620324700 /nfs/dbraw/zinc/32/47/00/620324700.db2.gz CDHUIFBWVMVLPI-UHFFFAOYSA-N -1 0 315.373 3.052 20 30 DGEDRM C=C[C@@](C)(CCOC)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC000911387021 620331836 /nfs/dbraw/zinc/33/18/36/620331836.db2.gz MVVIYZMFNMIQLV-KRWDZBQOSA-N -1 0 316.357 3.033 20 30 DGEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000915105871 620568204 /nfs/dbraw/zinc/56/82/04/620568204.db2.gz IASVUOWKAIUJKA-MDZDMXLPSA-N -1 0 311.293 3.118 20 30 DGEDRM Cc1cc([O-])cc2c1C(=O)C(=NNc1ccccc1Cl)O2 ZINC000915934905 620608632 /nfs/dbraw/zinc/60/86/32/620608632.db2.gz GPRXXCLJEFQKPS-UHFFFAOYSA-N -1 0 302.717 3.355 20 30 DGEDRM CCOc1cc(C=NNc2cccc(C(=O)[O-])c2)ccc1OC ZINC000916255235 620622040 /nfs/dbraw/zinc/62/20/40/620622040.db2.gz LHLZOWKKZFUPHT-UHFFFAOYSA-N -1 0 314.341 3.238 20 30 DGEDRM CC(N=Nc1ncc(Cl)cn1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000857221248 621069656 /nfs/dbraw/zinc/06/96/56/621069656.db2.gz WHGFYCCSVLGALM-KOLCDFICSA-N -1 0 310.785 3.055 20 30 DGEDRM CCc1ccc(NC(=O)C(C#N)=C([O-])c2coc(C3CC3)n2)cc1 ZINC000788080627 621118128 /nfs/dbraw/zinc/11/81/28/621118128.db2.gz GEDSXOIHCSDBEX-AWEZNQCLSA-N -1 0 323.352 3.076 20 30 DGEDRM CS[C@H](C)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000103329413 621348170 /nfs/dbraw/zinc/34/81/70/621348170.db2.gz DIQNPTARNNDERB-PWSUYJOCSA-N -1 0 300.383 3.119 20 30 DGEDRM COc1ccc2c(c1)CC(N=Nc1ccc(C(=O)[O-])cc1)CC2 ZINC000752712662 621405384 /nfs/dbraw/zinc/40/53/84/621405384.db2.gz CDBNORREOPGREX-UHFFFAOYSA-N -1 0 310.353 3.350 20 30 DGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C(C)(C)CC(C)C)n1 ZINC000753501930 621443981 /nfs/dbraw/zinc/44/39/81/621443981.db2.gz XOGCLMQMSNUVNZ-GFCCVEGCSA-N -1 0 322.430 3.243 20 30 DGEDRM N#CC(C(=O)C12CC(C1)C2)=C([O-])c1sccc1Br ZINC000860854024 621450482 /nfs/dbraw/zinc/45/04/82/621450482.db2.gz RIDLEUNQAIDPJE-LPATWVRLSA-N -1 0 324.199 3.202 20 30 DGEDRM N#CC(C(=O)C12CC(C1)C2)=C([O-])c1sccc1Br ZINC000860854023 621450544 /nfs/dbraw/zinc/45/05/44/621450544.db2.gz RIDLEUNQAIDPJE-DMWDQNTBSA-N -1 0 324.199 3.202 20 30 DGEDRM N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000754392022 621508321 /nfs/dbraw/zinc/50/83/21/621508321.db2.gz GHXXRAQTMFFTON-MRXNPFEDSA-N -1 0 308.337 3.145 20 30 DGEDRM CCCCCCCCCNC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000861447793 621515720 /nfs/dbraw/zinc/51/57/20/621515720.db2.gz IHNHEMJNXZAUHU-GJZGRUSLSA-N -1 0 312.454 3.489 20 30 DGEDRM Cc1cc(F)ccc1CC/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000755032528 621547762 /nfs/dbraw/zinc/54/77/62/621547762.db2.gz VRKWJRYEVJFKEM-ZDLGFXPLSA-N -1 0 302.305 3.410 20 30 DGEDRM O=C([O-])c1ccc(NN=Cc2coc(-c3ccccc3)n2)cc1 ZINC000755453731 621573884 /nfs/dbraw/zinc/57/38/84/621573884.db2.gz BQBCLGOUELVOLQ-UHFFFAOYSA-N -1 0 307.309 3.486 20 30 DGEDRM CCCn1nc(C)c(C=NNc2ccc(C(=O)[O-])cc2)c1C ZINC000755454663 621573911 /nfs/dbraw/zinc/57/39/11/621573911.db2.gz HXBRGYKEXUCWNT-UHFFFAOYSA-N -1 0 300.362 3.054 20 30 DGEDRM CCCn1nc(C)c(C=NNc2cccc(C(=O)[O-])c2)c1C ZINC000755473554 621574833 /nfs/dbraw/zinc/57/48/33/621574833.db2.gz ZXLIYQLRHBAYNB-UHFFFAOYSA-N -1 0 300.362 3.054 20 30 DGEDRM CCc1nc(C=NNc2ccccc2C(=O)[O-])c2ccccn12 ZINC000755600266 621580067 /nfs/dbraw/zinc/58/00/67/621580067.db2.gz HLKRVFWDWRVGJK-UHFFFAOYSA-N -1 0 308.341 3.041 20 30 DGEDRM O=C([O-])COc1ccc(/C=C\C(=O)c2cc(F)cc(F)c2)cc1 ZINC000755703430 621586796 /nfs/dbraw/zinc/58/67/96/621586796.db2.gz AYJJRUZWASSGKZ-UTCJRWHESA-N -1 0 318.275 3.324 20 30 DGEDRM C[C@H](NN=Cc1c(O)cccc1Br)C(F)(F)F ZINC000863116521 621639977 /nfs/dbraw/zinc/63/99/77/621639977.db2.gz RQFWIQMUSGSAFD-LURJTMIESA-N -1 0 311.101 3.029 20 30 DGEDRM O=C([O-])C1CCC(N=Nc2nc3ccccc3[nH]c2=S)CC1 ZINC000863124815 621640925 /nfs/dbraw/zinc/64/09/25/621640925.db2.gz DZAKTCMWNGIJJZ-UHFFFAOYSA-N -1 0 316.386 3.335 20 30 DGEDRM C#CC[C@@H](NC(=O)C[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000756848156 621668289 /nfs/dbraw/zinc/66/82/89/621668289.db2.gz WXUKZEUPHNPODK-ZWKOTPCHSA-N -1 0 321.376 3.126 20 30 DGEDRM COc1cc(C(=O)[O-])ccc1NN=C(C)c1ccc(F)cc1O ZINC000756898851 621670814 /nfs/dbraw/zinc/67/08/14/621670814.db2.gz DOAXYPPUECFANI-UHFFFAOYSA-N -1 0 318.304 3.074 20 30 DGEDRM CC(N=Nc1nncc2ccccc21)c1ccccc1C(=O)[O-] ZINC000757450570 621712091 /nfs/dbraw/zinc/71/20/91/621712091.db2.gz FDFBFNYDVWIWBP-UHFFFAOYSA-N -1 0 306.325 3.164 20 30 DGEDRM Cc1ccc(O)c(C(=O)/C=C\c2ccc(S(C)(=O)=O)cc2)c1 ZINC000757467528 621714066 /nfs/dbraw/zinc/71/40/66/621714066.db2.gz FUFVEELFLLAHTL-POHAHGRESA-N -1 0 316.378 3.000 20 30 DGEDRM O=C(/C=C\c1cc2c(c(Cl)c1)OCO2)c1ccc(O)cc1[O-] ZINC000757472166 621714926 /nfs/dbraw/zinc/71/49/26/621714926.db2.gz LQUXDDHBFXJXNL-RJRFIUFISA-N -1 0 318.712 3.376 20 30 DGEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864152437 621744595 /nfs/dbraw/zinc/74/45/95/621744595.db2.gz GUHMXIMTRAFQKN-QRUMOCGTSA-N -1 0 303.358 3.242 20 30 DGEDRM CCCCCCCC[C@@H](C)C(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC000864171129 621746442 /nfs/dbraw/zinc/74/64/42/621746442.db2.gz UDBQEVSXPHCNJV-RHSMWYFYSA-N -1 0 313.438 3.075 20 30 DGEDRM C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000864177178 621747228 /nfs/dbraw/zinc/74/72/28/621747228.db2.gz IHTGVOVYQRNETK-CVEARBPZSA-N -1 0 301.386 3.092 20 30 DGEDRM C=C(Cl)C[C@H](NC(=O)[C@@H](C)c1ccc(CC)cc1)C(=O)[O-] ZINC000864183012 621748429 /nfs/dbraw/zinc/74/84/29/621748429.db2.gz GJNLHUZHOGGMLM-FZMZJTMJSA-N -1 0 309.793 3.065 20 30 DGEDRM C=C(Cl)C[C@H](NC(=O)c1cc(SC)ccc1C)C(=O)[O-] ZINC000864183330 621748528 /nfs/dbraw/zinc/74/85/28/621748528.db2.gz DRQKQFFULVIZRS-LBPRGKRZSA-N -1 0 313.806 3.043 20 30 DGEDRM C=C(Cl)C[C@H](NC(=O)c1cc2cc(C)c(C)cc2o1)C(=O)[O-] ZINC000864183583 621748535 /nfs/dbraw/zinc/74/85/35/621748535.db2.gz LCBXXIZAOIBXHL-LBPRGKRZSA-N -1 0 321.760 3.375 20 30 DGEDRM C=C(Cl)C[C@@H](NC(=O)CC1CC(c2ccccc2)C1)C(=O)[O-] ZINC000864186565 621748892 /nfs/dbraw/zinc/74/88/92/621748892.db2.gz RYGGWUMLQBXJCL-PESDSKBTSA-N -1 0 321.804 3.282 20 30 DGEDRM C=C(Cl)C[C@H](NC(=O)[C@H](CC)Cc1ccccc1C)C(=O)[O-] ZINC000864185768 621748935 /nfs/dbraw/zinc/74/89/35/621748935.db2.gz BUWZQHIJBMNREC-HIFRSBDPSA-N -1 0 323.820 3.276 20 30 DGEDRM C=C[C@H](CC(=O)N[C@H](CC(=C)Cl)C(=O)[O-])c1ccccc1 ZINC000864186554 621748957 /nfs/dbraw/zinc/74/89/57/621748957.db2.gz RUHHUQAKIOLBRM-TZMCWYRMSA-N -1 0 307.777 3.058 20 30 DGEDRM C=C[C@H](CC(=O)N[C@@H](CC(=C)Cl)C(=O)[O-])c1ccccc1 ZINC000864186553 621749032 /nfs/dbraw/zinc/74/90/32/621749032.db2.gz RUHHUQAKIOLBRM-OCCSQVGLSA-N -1 0 307.777 3.058 20 30 DGEDRM C=C(Cl)C[C@H](NC(=O)c1cc2c(ccc(C)c2C)[nH]1)C(=O)[O-] ZINC000864184520 621749047 /nfs/dbraw/zinc/74/90/47/621749047.db2.gz QZBSZIOMGPKMLR-AWEZNQCLSA-N -1 0 320.776 3.110 20 30 DGEDRM C=C(Cl)C[C@@H](NC(=O)c1cc(C)c(C)cc1Cl)C(=O)[O-] ZINC000864186075 621749052 /nfs/dbraw/zinc/74/90/52/621749052.db2.gz IOGFWMNINBTSNK-GFCCVEGCSA-N -1 0 316.184 3.282 20 30 DGEDRM C=C(Cl)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1)C(=O)[O-] ZINC000864186698 621749070 /nfs/dbraw/zinc/74/90/70/621749070.db2.gz VLHVKMSMADHVRJ-ZNMIVQPWSA-N -1 0 321.804 3.119 20 30 DGEDRM C=C(Cl)C[C@@H](NC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)C(=O)[O-] ZINC000864186186 621749083 /nfs/dbraw/zinc/74/90/83/621749083.db2.gz KIIFEJRJYGREBQ-RBSFLKMASA-N -1 0 321.804 3.282 20 30 DGEDRM C=C(C)C[C@H](NC(=O)/C=C(/C)c1ccccc1Cl)C(=O)[O-] ZINC000864187106 621749539 /nfs/dbraw/zinc/74/95/39/621749539.db2.gz DLOVNQPWMXXYDE-FPAJZGIOSA-N -1 0 307.777 3.279 20 30 DGEDRM CCC1N=NC(=S)N1N=Cc1cc(Cl)c([O-])cc1Cl ZINC000758094321 621757973 /nfs/dbraw/zinc/75/79/73/621757973.db2.gz CPEMOGHOJWQOQI-UHFFFAOYSA-N -1 0 317.201 3.024 20 30 DGEDRM C[C@@H](Oc1cccc(C=NOCc2ccc(F)cc2)c1)C(=O)[O-] ZINC000758145080 621761576 /nfs/dbraw/zinc/76/15/76/621761576.db2.gz RQYZDEVOUGVAOG-GFCCVEGCSA-N -1 0 317.316 3.228 20 30 DGEDRM C=C(C)C[C@H](NC(=O)NCC(CC)(CC)C(F)(F)F)C(=O)[O-] ZINC000864545601 621783606 /nfs/dbraw/zinc/78/36/06/621783606.db2.gz QKCPCWKLYIPAPY-JTQLQIEISA-N -1 0 324.343 3.074 20 30 DGEDRM COc1cc2c(cc1/C=C\C(=O)c1ccc([O-])c(F)c1)OCO2 ZINC000758932149 621812361 /nfs/dbraw/zinc/81/23/61/621812361.db2.gz RNDBWWZJPCKNAH-ARJAWSKDSA-N -1 0 316.284 3.165 20 30 DGEDRM O=C(/C=C/c1cc([O-])ccc1[N+](=O)[O-])c1ccc(Cl)nc1 ZINC000759081196 621823576 /nfs/dbraw/zinc/82/35/76/621823576.db2.gz DJWXKZZYBLOLNF-ORCRQEGFSA-N -1 0 304.689 3.245 20 30 DGEDRM O=C(/C=C/c1nc(Cl)cs1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000759081883 621823594 /nfs/dbraw/zinc/82/35/94/621823594.db2.gz BJPXOCKBNDWPDV-ONEGZZNKSA-N -1 0 310.718 3.306 20 30 DGEDRM O=C(/C=C\c1ccc(F)cc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000759089919 621823911 /nfs/dbraw/zinc/82/39/11/621823911.db2.gz ILSKNSPPKSXIAG-DJWKRKHSSA-N -1 0 305.236 3.475 20 30 DGEDRM COc1ccsc1/C=C\C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000759089084 621824164 /nfs/dbraw/zinc/82/41/64/621824164.db2.gz FVMPNIIJZWELRD-PLNGDYQASA-N -1 0 305.311 3.267 20 30 DGEDRM N#Cc1csc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000759089049 621824189 /nfs/dbraw/zinc/82/41/89/621824189.db2.gz FBQKEVONSXZDMB-DUXPYHPUSA-N -1 0 300.295 3.130 20 30 DGEDRM O=C(/C=C/c1ccc2c(c1)CCO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000759091794 621824522 /nfs/dbraw/zinc/82/45/22/621824522.db2.gz UTJQYDJXWRCIRZ-DAFODLJHSA-N -1 0 311.293 3.131 20 30 DGEDRM CC(=[NH+][N-]c1ccc(C(=O)[O-])cc1)c1ccc(F)cc1N(C)C ZINC000759182477 621833128 /nfs/dbraw/zinc/83/31/28/621833128.db2.gz FWZQDXDHQKHYPD-UHFFFAOYSA-N -1 0 315.348 3.426 20 30 DGEDRM Cn1nc2c(c1/C=C\C(=O)c1cc(F)ccc1[O-])CCCC2 ZINC000865220595 621874533 /nfs/dbraw/zinc/87/45/33/621874533.db2.gz NBLKUFKKGMXGRC-CLFYSBASSA-N -1 0 300.333 3.040 20 30 DGEDRM C[C@@]1(C(=O)Nc2cc(C#N)ccc2[O-])CCc2ccccc2C1 ZINC000759713256 621884985 /nfs/dbraw/zinc/88/49/85/621884985.db2.gz JUGFZEJWGDYQIL-LJQANCHMSA-N -1 0 306.365 3.398 20 30 DGEDRM CCC(=NN=c1[nH]c2ccccc2[nH]1)c1ccc(C(=O)[O-])cc1 ZINC000760223688 621922121 /nfs/dbraw/zinc/92/21/21/621922121.db2.gz JVLIDGBYSZHGKP-UHFFFAOYSA-N -1 0 308.341 3.487 20 30 DGEDRM Cc1cc(C=Nn2c(=S)[n-]nc2C(F)(F)F)c(C)s1 ZINC000760231331 621923219 /nfs/dbraw/zinc/92/32/19/621923219.db2.gz KUJFOCGRGXELIA-UHFFFAOYSA-N -1 0 306.338 3.146 20 30 DGEDRM O=C([O-])c1ccccc1NN=Cc1cccc(-n2cccn2)c1 ZINC000760242378 621923663 /nfs/dbraw/zinc/92/36/63/621923663.db2.gz 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304.390 3.321 20 30 DGEDRM C=CCC(C)(C)CNC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000319692737 970561635 /nfs/dbraw/zinc/56/16/35/970561635.db2.gz HPPTXKMEQWQNRQ-UHFFFAOYSA-N -1 0 312.316 3.387 20 30 DGEDRM Cc1c(Cl)cnc(N[C@@H](Cc2ccccc2)C(=O)[O-])c1C#N ZINC001605082067 972722180 /nfs/dbraw/zinc/72/21/80/972722180.db2.gz SHYVHZKDNGGJDH-AWEZNQCLSA-N -1 0 315.760 3.023 20 30 DGEDRM C[C@@H]1Cc2c(C(=O)[O-])c(NC(=O)CCCC#N)sc2[C@@H](C)O1 ZINC001603476203 973369216 /nfs/dbraw/zinc/36/92/16/973369216.db2.gz UTUVJUXHLMJXCW-RKDXNWHRSA-N -1 0 322.386 3.101 20 30 DGEDRM CCc1cc(C#N)ccc1OC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001603968211 974448551 /nfs/dbraw/zinc/44/85/51/974448551.db2.gz VECVOXWIJPYWTC-XQRVVYSFSA-N -1 0 311.293 3.031 20 30 DGEDRM CC(C)c1[nH]c(CNc2cccc(OCC#N)c2)cc1C(=O)[O-] ZINC001591917815 976378402 /nfs/dbraw/zinc/37/84/02/976378402.db2.gz DLLATLKEYRSLAR-UHFFFAOYSA-N -1 0 313.357 3.351 20 30 DGEDRM CC(C)c1ccc(C(=O)OCC#Cc2cccc(C(=O)[O-])c2)cn1 ZINC001591946974 976486622 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ZINC001602852468 1193000296 /nfs/dbraw/zinc/00/02/96/1193000296.db2.gz QMRCUTVOJNUIIU-UHFFFAOYSA-N -1 0 309.348 3.198 20 30 DGEDRM C=CCC1(C(=O)OCc2cccc(C(=O)[O-])n2)CCCCC1 ZINC001602849957 1193000319 /nfs/dbraw/zinc/00/03/19/1193000319.db2.gz PNMGSEWQABFUOO-UHFFFAOYSA-N -1 0 303.358 3.350 20 30 DGEDRM C=CC[C@@H]1CCN(C(=O)Nc2c(C)sc(C)c2C(=O)[O-])C1 ZINC001602855749 1193000500 /nfs/dbraw/zinc/00/05/00/1193000500.db2.gz ZQGQOJSSYQQHEV-LLVKDONJSA-N -1 0 308.403 3.493 20 30 DGEDRM C=CCCC[C@H](NC(=O)CSc1cc(C)ccc1C)C(=O)[O-] ZINC001602864982 1193000733 /nfs/dbraw/zinc/00/07/33/1193000733.db2.gz CFYMWQWHZKZNQH-AWEZNQCLSA-N -1 0 321.442 3.321 20 30 DGEDRM C=CCCC[C@@H](NC(=O)Cc1ccc(C)c(Cl)c1)C(=O)[O-] ZINC001602866133 1193000754 /nfs/dbraw/zinc/00/07/54/1193000754.db2.gz YBIDSTBDRJBXRN-CQSZACIVSA-N -1 0 309.793 3.117 20 30 DGEDRM C=CCCC[C@H](NC(=O)[C@@H](C)Cc1ccccc1Cl)C(=O)[O-] ZINC001602862893 1193000913 /nfs/dbraw/zinc/00/09/13/1193000913.db2.gz JPJYTKDTBMEGKP-WFASDCNBSA-N -1 0 323.820 3.444 20 30 DGEDRM C=CCCC[C@H](NC(=O)/C=C\c1ccc2[nH]ccc2c1)C(=O)[O-] ZINC001602862406 1193000940 /nfs/dbraw/zinc/00/09/40/1193000940.db2.gz DRAAVVHEOBTOKK-GQSKFBFOSA-N -1 0 312.369 3.107 20 30 DGEDRM C=CCCO[C@@H](C)C(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-] ZINC001602881324 1193001098 /nfs/dbraw/zinc/00/10/98/1193001098.db2.gz PRPMXGXRUGNOBR-QMMMGPOBSA-N -1 0 315.728 3.097 20 30 DGEDRM C=CCCCCCN(C)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001602871381 1193001162 /nfs/dbraw/zinc/00/11/62/1193001162.db2.gz XLAMMHKWSVHIIX-UHFFFAOYSA-N -1 0 310.419 3.334 20 30 DGEDRM C=CCCC[C@@H](NC(=O)c1ccc(C(F)F)c(F)c1)C(=O)[O-] ZINC001602870843 1193001176 /nfs/dbraw/zinc/00/11/76/1193001176.db2.gz HZLQKYRSRBJOLB-GFCCVEGCSA-N -1 0 315.291 3.303 20 30 DGEDRM C=CCCC[C@@H](NC(=O)c1cc(C)c2ccccc2n1)C(=O)[O-] ZINC001602870787 1193001183 /nfs/dbraw/zinc/00/11/83/1193001183.db2.gz HSBCXCOGZCFOJH-OAHLLOKOSA-N -1 0 312.369 3.083 20 30 DGEDRM C=CCCC[C@@H](NC(=O)c1cc(C)ccc1NC1CC1)C(=O)[O-] ZINC001602871561 1193001432 /nfs/dbraw/zinc/00/14/32/1193001432.db2.gz NOHKEPNXHFYXGQ-MRXNPFEDSA-N -1 0 316.401 3.109 20 30 DGEDRM C=CCCC[C@H](NC(=O)c1ccc2[nH]c(C)c(C)c2c1)C(=O)[O-] ZINC001602872132 1193001441 /nfs/dbraw/zinc/00/14/41/1193001441.db2.gz PZYZJJZOSRVLTH-INIZCTEOSA-N -1 0 314.385 3.324 20 30 DGEDRM C=CCN(CCc1ccco1)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001602894198 1193001663 /nfs/dbraw/zinc/00/16/63/1193001663.db2.gz WOSQJOCIGUDRTD-NSHDSACASA-N -1 0 306.387 3.226 20 30 DGEDRM C=CCN(Cc1ncc(C(=O)[O-])s1)Cc1ccc(OC)cc1 ZINC001602893526 1193001752 /nfs/dbraw/zinc/00/17/52/1193001752.db2.gz AMBLNCPCPDZUEL-UHFFFAOYSA-N -1 0 318.398 3.038 20 30 DGEDRM CC#CCCCC(=O)Nc1c2ccc(C)nc2sc1C(=O)[O-] ZINC001602946686 1193003133 /nfs/dbraw/zinc/00/31/33/1193003133.db2.gz BPVMTKHBFNZKQO-UHFFFAOYSA-N -1 0 316.382 3.435 20 30 DGEDRM CC#CCCCC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001602946892 1193003221 /nfs/dbraw/zinc/00/32/21/1193003221.db2.gz GILUZCCGBHOHSV-UHFFFAOYSA-N -1 0 324.174 3.279 20 30 DGEDRM CC#CC[C@@H](NCc1csc(-c2ccc(C)cc2)n1)C(=O)[O-] ZINC001350668659 1180104418 /nfs/dbraw/zinc/10/44/18/1180104418.db2.gz UDCZEMZWSKUFPE-OAHLLOKOSA-N -1 0 314.410 3.075 20 30 DGEDRM CC(=NNCc1cccc2cccnc21)c1cc(C(=O)[O-])co1 ZINC001602991149 1193004738 /nfs/dbraw/zinc/00/47/38/1193004738.db2.gz XTXRXSLQEBBRAW-UHFFFAOYSA-N -1 0 309.325 3.040 20 30 DGEDRM C=CCC[C@@H](NC(=O)N[C@@H](CC=C)C(=O)[O-])c1ccccc1 ZINC001351009681 1180158509 /nfs/dbraw/zinc/15/85/09/1180158509.db2.gz BPJDRSODTPYUAX-CABCVRRESA-N -1 0 302.374 3.022 20 30 DGEDRM C[C@H](C#N)Oc1ccccc1NCCc1ccccc1C(=O)[O-] ZINC001603131824 1193008365 /nfs/dbraw/zinc/00/83/65/1193008365.db2.gz LULPSRPGYGTEOM-CYBMUJFWSA-N -1 0 310.353 3.330 20 30 DGEDRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)CCc2ccc(C#N)cc2)c1 ZINC001603218733 1193011344 /nfs/dbraw/zinc/01/13/44/1193011344.db2.gz YODRRAYKVFHMHL-CYBMUJFWSA-N -1 0 322.364 3.318 20 30 DGEDRM CC(C)(C#N)c1ccc(C(=O)O[C@@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC001603230505 1193011789 /nfs/dbraw/zinc/01/17/89/1193011789.db2.gz NKEDWGNFZLMRJM-HUUCEWRRSA-N -1 0 315.369 3.288 20 30 DGEDRM CC(C)C[C@H](C)CN=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC001603259176 1193013203 /nfs/dbraw/zinc/01/32/03/1193013203.db2.gz BLWLWUHUEVIRQL-JTQLQIEISA-N -1 0 305.386 3.058 20 30 DGEDRM CC(C)(CC(=O)[O-])CC(=O)OCc1cc(Cl)cc(C#N)c1 ZINC001603583851 1193022453 /nfs/dbraw/zinc/02/24/53/1193022453.db2.gz WKOQRONZCZUBPW-UHFFFAOYSA-N -1 0 309.749 3.146 20 30 DGEDRM CCCCCCCCCCNC(=S)NCc1cc(=O)[n-]o1 ZINC001200217525 1180458288 /nfs/dbraw/zinc/45/82/88/1180458288.db2.gz PBTSYLDTTBENFU-UHFFFAOYSA-N -1 0 313.467 3.485 20 30 DGEDRM CC(C)CN(CC(C)(C)C(=O)[O-])c1nc(Cl)c(C#N)s1 ZINC001603810370 1193032713 /nfs/dbraw/zinc/03/27/13/1193032713.db2.gz ZSDLHKSKZYITCK-UHFFFAOYSA-N -1 0 315.826 3.241 20 30 DGEDRM C=CCNC(=S)Nc1ccc([C@@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001200295180 1180521095 /nfs/dbraw/zinc/52/10/95/1180521095.db2.gz KWPXOIGPHFMFCO-ZDUSSCGKSA-N -1 0 306.431 3.373 20 30 DGEDRM C[C@@H](CC(C)(C)CC(=O)[O-])Nc1ccc(F)cc1OCC#N ZINC001604122968 1193052184 /nfs/dbraw/zinc/05/21/84/1193052184.db2.gz WTFIKXSOVYWYQH-NSHDSACASA-N -1 0 308.353 3.419 20 30 DGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2cccc(C)c2F)cc1F ZINC001200814999 1180931706 /nfs/dbraw/zinc/93/17/06/1180931706.db2.gz FUGNHLJLJWRPKC-UHFFFAOYSA-N -1 0 322.336 3.254 20 30 DGEDRM C=CC[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1C)C(=O)[O-] ZINC001355418720 1181052793 /nfs/dbraw/zinc/05/27/93/1181052793.db2.gz XJCXODXDJLGDGO-LLVKDONJSA-N -1 0 316.279 3.165 20 30 DGEDRM C[C@H](Nc1cc(F)ccc1C#N)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001604363080 1193070305 /nfs/dbraw/zinc/07/03/05/1193070305.db2.gz IBCZXVRWCYSZHD-LRDDRELGSA-N -1 0 312.344 3.441 20 30 DGEDRM C[C@@H](Nc1cc(F)ccc1C#N)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001604363087 1193070458 /nfs/dbraw/zinc/07/04/58/1193070458.db2.gz IBCZXVRWCYSZHD-WBMJQRKESA-N -1 0 312.344 3.441 20 30 DGEDRM CCn1nc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1C1CC1 ZINC001356567040 1181216271 /nfs/dbraw/zinc/21/62/71/1181216271.db2.gz KFRMHWOAXCDWAG-GFCCVEGCSA-N -1 0 320.352 3.412 20 30 DGEDRM CC[C@@H](C)C[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)C(=O)[O-] ZINC001604954049 1193101582 /nfs/dbraw/zinc/10/15/82/1193101582.db2.gz YHJPIOJOOQQVES-IUODEOHRSA-N -1 0 316.401 3.107 20 30 DGEDRM CC[C@H](CC#N)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001604980245 1193103613 /nfs/dbraw/zinc/10/36/13/1193103613.db2.gz BCNLQTXVIQQQFR-VXGBXAGGSA-N -1 0 300.280 3.113 20 30 DGEDRM Cc1ccc(NC(=O)c2[n-]c(=O)c(C#N)cc2C)cc1Cl ZINC001361598991 1181656943 /nfs/dbraw/zinc/65/69/43/1181656943.db2.gz VGZNPTCEWGABLD-UHFFFAOYSA-N -1 0 301.733 3.181 20 30 DGEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCC(C)(C)c1ccccc1 ZINC001361909275 1181660152 /nfs/dbraw/zinc/66/01/52/1181660152.db2.gz QIHZIIPRFNWZNZ-UHFFFAOYSA-N -1 0 323.396 3.065 20 30 DGEDRM CC[C@@H](NC(=O)c1[n-]c(=O)c(C#N)cc1C)c1ccc(C)cc1 ZINC001361993559 1181660472 /nfs/dbraw/zinc/66/04/72/1181660472.db2.gz ICMBQOKGMFBXDH-OAHLLOKOSA-N -1 0 309.369 3.157 20 30 DGEDRM CC[C@](NCC#Cc1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC001605091889 1193112372 /nfs/dbraw/zinc/11/23/72/1193112372.db2.gz OGKIPNSVYZPSPB-LJQANCHMSA-N -1 0 311.356 3.157 20 30 DGEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001418070432 1181758006 /nfs/dbraw/zinc/75/80/06/1181758006.db2.gz AJRCJEABLPZZCU-UONOGXRCSA-N -1 0 315.417 3.254 20 30 DGEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC1(C)CCCCCC1 ZINC001433851660 1181772252 /nfs/dbraw/zinc/77/22/52/1181772252.db2.gz QMTQOBCJZPDNAY-UHFFFAOYSA-N -1 0 301.390 3.058 20 30 DGEDRM CCCC[C@H](S[C@H](C)C(=O)Nc1ccccc1C#N)C(=O)[O-] ZINC001605251904 1193135107 /nfs/dbraw/zinc/13/51/07/1193135107.db2.gz VCVCHHYYYORTPZ-RISCZKNCSA-N -1 0 320.414 3.262 20 30 DGEDRM CC[C@@H](C)[C@H](C)N(C(=O)c1[n-]c(=O)c(C#N)cc1C)C1CC1 ZINC001443712380 1182107472 /nfs/dbraw/zinc/10/74/72/1182107472.db2.gz ODPSCRONLGGTIB-PWSUYJOCSA-N -1 0 301.390 3.007 20 30 DGEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC001444035287 1182113007 /nfs/dbraw/zinc/11/30/07/1182113007.db2.gz MUKIKGVYNOUPHG-AWEZNQCLSA-N -1 0 315.417 3.256 20 30 DGEDRM CCN(C(=O)CC1(CC(=O)[O-])CCCC1)c1ccc(C#N)cc1 ZINC001605395369 1193147961 /nfs/dbraw/zinc/14/79/61/1193147961.db2.gz YFKWGRIDHIBCTC-UHFFFAOYSA-N -1 0 314.385 3.336 20 30 DGEDRM N#CCc1cccc(NC(=O)c2c([O-])cnc3c(F)cccc32)c1 ZINC001449715305 1182232908 /nfs/dbraw/zinc/23/29/08/1182232908.db2.gz VXSCOOOXXPQJBJ-UHFFFAOYSA-N -1 0 321.311 3.398 20 30 DGEDRM CC(C)(C)Oc1ccc(NC(=O)c2ncccc2[O-])cc1C#N ZINC001450013750 1182237580 /nfs/dbraw/zinc/23/75/80/1182237580.db2.gz KLTVPDJJGUUTEP-UHFFFAOYSA-N -1 0 311.341 3.088 20 30 DGEDRM N#Cc1cccc(O[N-]C(=O)C2(c3cccc(F)c3)CCC2)c1 ZINC001454683276 1182350752 /nfs/dbraw/zinc/35/07/52/1182350752.db2.gz KFCCGGXBTLYOOR-UHFFFAOYSA-N -1 0 310.328 3.229 20 30 DGEDRM CCOc1cc(C(=O)[O-])ccc1NCc1csc(C#N)c1 ZINC001605666460 1193163381 /nfs/dbraw/zinc/16/33/81/1193163381.db2.gz YVIAZNZTFYWIQF-UHFFFAOYSA-N -1 0 302.355 3.329 20 30 DGEDRM CN(C(=O)Nc1cc(Cl)ccc1C(=O)[O-])[C@H]1CCC[C@H]1C#N ZINC001605972773 1193186145 /nfs/dbraw/zinc/18/61/45/1193186145.db2.gz DIEOEOHHZQLBNM-ZANVPECISA-N -1 0 321.764 3.194 20 30 DGEDRM CN(CCCOc1cccc(C#N)c1)c1ccccc1C(=O)[O-] ZINC001606125877 1193190828 /nfs/dbraw/zinc/19/08/28/1193190828.db2.gz FUGAUSLYXUKVES-UHFFFAOYSA-N -1 0 310.353 3.162 20 30 DGEDRM CN(Cc1ccc(Cl)s1)c1ccc(C(=O)[O-])nc1C#N ZINC001606159582 1193192240 /nfs/dbraw/zinc/19/22/40/1193192240.db2.gz PJEAJOZRFYBMOO-UHFFFAOYSA-N -1 0 307.762 3.003 20 30 DGEDRM N#Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000036157558 1193201995 /nfs/dbraw/zinc/20/19/95/1193201995.db2.gz JOBSYURSYCACOV-UHFFFAOYSA-N -1 0 310.737 3.152 20 30 DGEDRM COc1cc(C#N)ccc1CNc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001607064952 1193211182 /nfs/dbraw/zinc/21/11/82/1193211182.db2.gz DRUGHOROCUAWAL-ZDUSSCGKSA-N -1 0 324.380 3.442 20 30 DGEDRM COc1cc(C#N)ccc1CNc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001607064951 1193211433 /nfs/dbraw/zinc/21/14/33/1193211433.db2.gz 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DGEDRM C=CC(C)(C)CC(=O)NC[C@@](CC)(C(=O)[O-])c1ccccc1 ZINC000909842018 620259143 /nfs/dbraw/zinc/25/91/43/620259143.db2.gz AFVGHPPGNJYOTN-GOSISDBHSA-N -1 0 303.402 3.138 20 30 DGEDRM C=C(C)C(C)(C)C(=O)NC[C@](CC)(C(=O)[O-])c1ccccc1 ZINC000909843750 620259342 /nfs/dbraw/zinc/25/93/42/620259342.db2.gz AUEASNLGEJIHIG-SFHVURJKSA-N -1 0 303.402 3.138 20 30 DGEDRM C=CC[C@H](C(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-])c1ccccc1 ZINC000909996452 620266211 /nfs/dbraw/zinc/26/62/11/620266211.db2.gz RPUQELPWRSJRPX-MPGHIAIKSA-N -1 0 301.386 3.106 20 30 DGEDRM C=C(C)C[C@H](NC(=O)C[C@@H](C)c1c[nH]c2ccccc21)C(=O)[O-] ZINC000910291055 620286604 /nfs/dbraw/zinc/28/66/04/620286604.db2.gz CEAQSLSXXVGUBS-WBMJQRKESA-N -1 0 314.385 3.197 20 30 DGEDRM C=C1CCC(C(=O)Nc2ccc(C(=O)[O-])cc2OCC)CC1 ZINC000910623324 620302038 /nfs/dbraw/zinc/30/20/38/620302038.db2.gz CCARDHPEPOZBKX-UHFFFAOYSA-N -1 0 303.358 3.468 20 30 DGEDRM C=C1CCC(C(=O)Nc2nc3c(s2)CC[C@@H](C(=O)[O-])C3)CC1 ZINC000910679649 620305433 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CC(N=Nc1cnccn1)c1ccc(-c2ccc(C(=O)[O-])o2)cc1 ZINC000912960993 620415739 /nfs/dbraw/zinc/41/57/39/620415739.db2.gz AXNIPQUWPSGOCX-UHFFFAOYSA-N -1 0 322.324 3.271 20 30 DGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(Cl)c(C)c1 ZINC000151545425 620458527 /nfs/dbraw/zinc/45/85/27/620458527.db2.gz ALBASKRVBIQOKU-ZDUSSCGKSA-N -1 0 306.793 3.277 20 30 DGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccn1C(C)C ZINC000153194348 620539010 /nfs/dbraw/zinc/53/90/10/620539010.db2.gz FEKNNMTVYNYJFX-AWEZNQCLSA-N -1 0 303.406 3.088 20 30 DGEDRM CC(C(=O)OCC([O-])=C(C#N)c1nc(C)cs1)=C1CCCC1 ZINC000754163584 620540855 /nfs/dbraw/zinc/54/08/55/620540855.db2.gz QULCEOTUQWDLFJ-ZDUSSCGKSA-N -1 0 318.398 3.062 20 30 DGEDRM O=C([O-])C(F)(F)Oc1ccc(C=NNc2ccccc2F)cc1 ZINC000730728152 620541340 /nfs/dbraw/zinc/54/13/40/620541340.db2.gz LGEWJUIDCKRCJG-UHFFFAOYSA-N -1 0 324.258 3.328 20 30 DGEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2cc(F)ccc2F)c1 ZINC000915983863 620611289 /nfs/dbraw/zinc/61/12/89/620611289.db2.gz CPCISTLTOISRST-DAXSKMNVSA-N -1 0 318.275 3.324 20 30 DGEDRM CN(C)c1ccc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)cc1 ZINC000915990907 620612186 /nfs/dbraw/zinc/61/21/86/620612186.db2.gz RNCAUJSZBQLFSZ-GHXNOFRVSA-N -1 0 309.365 3.276 20 30 DGEDRM CC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(Cl)cc1Cl ZINC000916282403 620624054 /nfs/dbraw/zinc/62/40/54/620624054.db2.gz DEDAGYQXLVXWJB-UHFFFAOYSA-N -1 0 312.160 3.029 20 30 DGEDRM FC(F)(F)c1n[n-]c(=S)n1N=Cc1cccc(Cl)c1 ZINC000916305454 620625144 /nfs/dbraw/zinc/62/51/44/620625144.db2.gz SAXKXQFYSBONRI-UHFFFAOYSA-N -1 0 306.700 3.121 20 30 DGEDRM O=C([O-])COc1ccccc1CN=Nc1cccc(Cl)c1F ZINC000921137717 620838800 /nfs/dbraw/zinc/83/88/00/620838800.db2.gz HESFQXNFSPNPPB-UHFFFAOYSA-N -1 0 322.723 3.389 20 30 DGEDRM COc1ccc(/C=C\C(=O)c2ccc(O)cc2[O-])c(OC)c1 ZINC000220947742 620894857 /nfs/dbraw/zinc/89/48/57/620894857.db2.gz JIEXXTPDFRDQKC-YWEYNIOJSA-N -1 0 300.310 3.011 20 30 DGEDRM C[C@@H]1CCCC[C@@H]1CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736778386 620920818 /nfs/dbraw/zinc/92/08/18/620920818.db2.gz 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ZINC001602791962 1192997855 /nfs/dbraw/zinc/99/78/55/1192997855.db2.gz HZURZWPCJQJXHH-UHFFFAOYSA-N -1 0 318.373 3.261 20 30 DGEDRM C=CCC(C)(C)c1noc(-c2ccc(-c3nn[nH]n3)cc2C)n1 ZINC001602811973 1192997914 /nfs/dbraw/zinc/99/79/14/1192997914.db2.gz UBNAIXADPSDNDQ-UHFFFAOYSA-N -1 0 310.361 3.079 20 30 DGEDRM C=CCC(C)(C)C(=O)Nc1nc2nc(C)cc(C(=O)[O-])c2s1 ZINC001602836597 1192999222 /nfs/dbraw/zinc/99/92/22/1192999222.db2.gz ZEHFPCMMPHWEIO-UHFFFAOYSA-N -1 0 319.386 3.239 20 30 DGEDRM C=C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)[O-] ZINC001602828659 1192998598 /nfs/dbraw/zinc/99/85/98/1192998598.db2.gz NLBDAMPSUXBSMW-VIFPVBQESA-N -1 0 307.400 3.073 20 30 DGEDRM C=CC[C@H]1N(C(=O)c2oc(C(=O)[O-])cc2C)CCCC1(C)C ZINC001602855208 1192999973 /nfs/dbraw/zinc/99/99/73/1192999973.db2.gz KBADBIMOEINKFQ-CYBMUJFWSA-N -1 0 305.374 3.493 20 30 DGEDRM C=CC[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)C(=O)[O-] ZINC001602850712 1193000411 /nfs/dbraw/zinc/00/04/11/1193000411.db2.gz YIQGNPKMPAIEHG-NSHDSACASA-N -1 0 323.805 3.257 20 30 DGEDRM C=CC[C@H](Sc1nnc(-c2ccccc2Cl)n1C)C(=O)[O-] ZINC001602849793 1193000423 /nfs/dbraw/zinc/00/04/23/1193000423.db2.gz QTDHGYMOEQNHDU-NSHDSACASA-N -1 0 323.805 3.257 20 30 DGEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001602855715 1193000590 /nfs/dbraw/zinc/00/05/90/1193000590.db2.gz XXNAENHOCMYBSX-NHYWBVRUSA-N -1 0 305.349 3.389 20 30 DGEDRM C=CCC[C@H](C(=O)N1CCC(CC(=O)[O-])CC1)c1ccccc1 ZINC001602856235 1193000685 /nfs/dbraw/zinc/00/06/85/1193000685.db2.gz ZQNNOBDNRUSKPA-KRWDZBQOSA-N -1 0 315.413 3.450 20 30 DGEDRM C=CCCC[C@H](NC(=O)C[C@H](C)c1cccc(F)c1)C(=O)[O-] ZINC001602864050 1193000689 /nfs/dbraw/zinc/00/06/89/1193000689.db2.gz XCXVWIYBKFKPHM-WFASDCNBSA-N -1 0 307.365 3.245 20 30 DGEDRM C=CCCC[C@H](NC(=O)C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001602863572 1193000802 /nfs/dbraw/zinc/00/08/02/1193000802.db2.gz QJTSQJKPSSSPLQ-RDJZCZTQSA-N -1 0 315.413 3.422 20 30 DGEDRM Cc1nc(C(C)C)ncc1C([O-])=C(C#N)c1ncc(F)cc1F ZINC001350355015 1180058342 /nfs/dbraw/zinc/05/83/42/1180058342.db2.gz SLTXRTJAOBNWGO-LLVKDONJSA-N -1 0 316.311 3.072 20 30 DGEDRM CC(C)c1ccc(C([O-])=C(C#N)c2ncc(F)cc2F)nc1 ZINC001350355869 1180059722 /nfs/dbraw/zinc/05/97/22/1180059722.db2.gz XLVIUNWOLXYXBP-GFCCVEGCSA-N -1 0 301.296 3.368 20 30 DGEDRM C=CCCC[C@@H](NC(=O)/C=C(\C)c1cccc(F)c1)C(=O)[O-] ZINC001602863702 1193000884 /nfs/dbraw/zinc/00/08/84/1193000884.db2.gz RRECAKZPKILYEC-HBIYDYFMSA-N -1 0 305.349 3.155 20 30 DGEDRM C=CCCC[C@@H](NC(=O)[C@@]1(C)CCc2ccccc2C1)C(=O)[O-] ZINC001602863293 1193000928 /nfs/dbraw/zinc/00/09/28/1193000928.db2.gz MLOMJKRSBRGDRA-APWZRJJASA-N -1 0 315.413 3.107 20 30 DGEDRM C=CCCOCC(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001602880985 1193001082 /nfs/dbraw/zinc/00/10/82/1193001082.db2.gz FBCOIMZMQSEFDY-UHFFFAOYSA-N -1 0 324.402 3.030 20 30 DGEDRM C=CCN(C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)C1CC1 ZINC001602887382 1193001839 /nfs/dbraw/zinc/00/18/39/1193001839.db2.gz UBFSYHPTNWZADE-UHFFFAOYSA-N -1 0 312.728 3.360 20 30 DGEDRM C=CCn1c(SCCCCC(=O)[O-])nnc1-c1ccccc1 ZINC001602936953 1193002645 /nfs/dbraw/zinc/00/26/45/1193002645.db2.gz KKEWDIXTGWGWPO-UHFFFAOYSA-N -1 0 317.414 3.478 20 30 DGEDRM C=CCn1c(S[C@@H](CC(C)C)C(=O)[O-])nnc1-c1ccco1 ZINC001602936940 1193002691 /nfs/dbraw/zinc/00/26/91/1193002691.db2.gz JXYLHUJHDXUYEX-LBPRGKRZSA-N -1 0 321.402 3.316 20 30 DGEDRM C=CCOc1cccc(NC(=O)c2oc(C(=O)[O-])cc2C)c1 ZINC001602921917 1193002863 /nfs/dbraw/zinc/00/28/63/1193002863.db2.gz XEVDQYYHDZOWMH-UHFFFAOYSA-N -1 0 301.298 3.103 20 30 DGEDRM C[C@@H](C#N)Oc1ccccc1NCCc1ccccc1C(=O)[O-] ZINC001603131825 1193008661 /nfs/dbraw/zinc/00/86/61/1193008661.db2.gz LULPSRPGYGTEOM-ZDUSSCGKSA-N -1 0 310.353 3.330 20 30 DGEDRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)/C=C/c2ccccc2C#N)cc1 ZINC001603206209 1193010591 /nfs/dbraw/zinc/01/05/91/1193010591.db2.gz RLKUPYQXBQJOSH-RUNBWSAHSA-N -1 0 320.348 3.398 20 30 DGEDRM CC(C)(C(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(C#N)cc1 ZINC001603239518 1193012348 /nfs/dbraw/zinc/01/23/48/1193012348.db2.gz BJIIQAALBIXMMP-UHFFFAOYSA-N -1 0 308.337 3.173 20 30 DGEDRM Cc1c[nH]c(-c2ccc(NC(=O)c3ccc(C#N)c([O-])c3)cc2)n1 ZINC001300081791 1180377918 /nfs/dbraw/zinc/37/79/18/1180377918.db2.gz CZTYRCBXAULDQE-UHFFFAOYSA-N -1 0 318.336 3.215 20 30 DGEDRM CC(C)c1nc(NC(=O)CCCCCC#N)sc1C(=O)[O-] ZINC001604015992 1193044944 /nfs/dbraw/zinc/04/49/44/1193044944.db2.gz FMHLYJXDTULRSM-UHFFFAOYSA-N -1 0 309.391 3.377 20 30 DGEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(C#N)cc2C)c1F ZINC001200650412 1180785211 /nfs/dbraw/zinc/78/52/11/1180785211.db2.gz VEBXYBQBHOSIBM-UHFFFAOYSA-N -1 0 304.346 3.115 20 30 DGEDRM CC1=C(C(=O)[O-])C[C@@H](CN(CC(C)C)c2ccc(C#N)cc2)O1 ZINC001604609082 1193083980 /nfs/dbraw/zinc/08/39/80/1193083980.db2.gz SXYLEXVTGGRSFO-INIZCTEOSA-N -1 0 314.385 3.168 20 30 DGEDRM C[C@@H]1c2c(c(O)ccc2F)C(=O)/C1=C\c1ccc(C(=O)[O-])o1 ZINC001604618758 1193085140 /nfs/dbraw/zinc/08/51/40/1193085140.db2.gz TVTNTTBOGIWSBE-AXDULGOBSA-N -1 0 302.257 3.206 20 30 DGEDRM CC[C@@H](CC#N)N[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC001604980714 1193103387 /nfs/dbraw/zinc/10/33/87/1193103387.db2.gz MAZLPEUEJPSXTP-CABZTGNLSA-N -1 0 300.280 3.113 20 30 DGEDRM CC[C@](C)(NC(=O)c1[n-]c(=O)c(C#N)cc1C)c1ccccc1 ZINC001361970931 1181660346 /nfs/dbraw/zinc/66/03/46/1181660346.db2.gz UMOYTOPDLCROAC-SFHVURJKSA-N -1 0 309.369 3.023 20 30 DGEDRM CCC[C@H](C)[C@H]1CCCN1C(=O)c1[n-]c(=O)c(C#N)cc1C ZINC001362156263 1181662719 /nfs/dbraw/zinc/66/27/19/1181662719.db2.gz XMNIDHVUVAGJLC-SMDDNHRTSA-N -1 0 301.390 3.008 20 30 DGEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCCCC[C@H]1C(C)C ZINC001362229834 1181663675 /nfs/dbraw/zinc/66/36/75/1181663675.db2.gz QOGDMBSTWCEVCN-AWEZNQCLSA-N -1 0 301.390 3.008 20 30 DGEDRM CC[C@H](C)[C@H]1CCCCN1C(=O)c1[n-]c(=O)c(C#N)cc1C ZINC001362188941 1181664070 /nfs/dbraw/zinc/66/40/70/1181664070.db2.gz UGWQKTSHOZDSQN-SMDDNHRTSA-N -1 0 301.390 3.008 20 30 DGEDRM CC(=O)c1c(C)cc(NC(=O)c2[n-]c(=O)c(C#N)cc2C)cc1C ZINC001363536936 1181673913 /nfs/dbraw/zinc/67/39/13/1181673913.db2.gz PPKTUWSCCWTDMV-UHFFFAOYSA-N -1 0 323.352 3.039 20 30 DGEDRM Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)cc1C#N ZINC001605247277 1193134111 /nfs/dbraw/zinc/13/41/11/1193134111.db2.gz ZECAWCMCNNUUCW-INIZCTEOSA-N -1 0 320.348 3.085 20 30 DGEDRM CCCCC[C@H](Nc1cc(C(F)(F)F)cc(C#N)n1)C(=O)[O-] ZINC001605261538 1193137484 /nfs/dbraw/zinc/13/74/84/1193137484.db2.gz XBMUYTIRCHPEIY-NSHDSACASA-N -1 0 315.295 3.417 20 30 DGEDRM CCCCCCCCC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001605266182 1193137856 /nfs/dbraw/zinc/13/78/56/1193137856.db2.gz AISDNLWTMZMJMI-ZDUSSCGKSA-N -1 0 321.421 3.283 20 30 DGEDRM CCCCCC[C@@H](CC)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001605267636 1193138718 /nfs/dbraw/zinc/13/87/18/1193138718.db2.gz ZUVJIEMVTOXKMY-CQSZACIVSA-N -1 0 308.422 3.200 20 30 DGEDRM CCCn1nccc1C=NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC001605391030 1193147167 /nfs/dbraw/zinc/14/71/67/1193147167.db2.gz SCIJKEZPTIWIRE-UHFFFAOYSA-N -1 0 306.753 3.091 20 30 DGEDRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc(C#N)cs1 ZINC001605794349 1193174740 /nfs/dbraw/zinc/17/47/40/1193174740.db2.gz ULQOPPPGHQCJPP-UHFFFAOYSA-N -1 0 300.339 3.133 20 30 DGEDRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@@]1(C#N)CC12CCCC2 ZINC001605883376 1193182525 /nfs/dbraw/zinc/18/25/25/1193182525.db2.gz UHSQXPQRJHQOEM-KRWDZBQOSA-N -1 0 317.341 3.057 20 30 DGEDRM CN(C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)[C@@H]1CCC[C@@H]1C#N ZINC001605973193 1193186548 /nfs/dbraw/zinc/18/65/48/1193186548.db2.gz WQHBYDWURNTSRM-NOZJJQNGSA-N -1 0 321.764 3.194 20 30 DGEDRM CSc1ccc(O)c(C(=O)N(C)Cc2ccc(C#N)cc2)c1 ZINC001464073581 1183068401 /nfs/dbraw/zinc/06/84/01/1183068401.db2.gz MPVVVOBVAOTGGT-UHFFFAOYSA-N -1 0 312.394 3.258 20 30 DGEDRM C#Cc1cccc(N(CC)C(=O)c2s[n-]c(=O)c2Cl)c1 ZINC001464865620 1183117734 /nfs/dbraw/zinc/11/77/34/1183117734.db2.gz ALVFJHOLWWSSAR-UHFFFAOYSA-N -1 0 306.774 3.150 20 30 DGEDRM COCCCOc1ccc(-c2ccc(C(=O)[O-])c(C#N)c2)cc1 ZINC001606872705 1193207082 /nfs/dbraw/zinc/20/70/82/1193207082.db2.gz SOPXBIMOMIZPMR-UHFFFAOYSA-N -1 0 311.337 3.339 20 30 DGEDRM C=CCN(C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])C1CC1 ZINC001466398861 1183202543 /nfs/dbraw/zinc/20/25/43/1183202543.db2.gz KMEJOBVFNMUMLK-UHFFFAOYSA-N -1 0 311.337 3.255 20 30 DGEDRM CCc1ccc([C@H](C)NC(=O)c2[n-]c(=O)c(C#N)cc2C)cc1 ZINC001466567707 1183212239 /nfs/dbraw/zinc/21/22/39/1183212239.db2.gz ZNDJIQNWOVSLHA-LBPRGKRZSA-N -1 0 309.369 3.021 20 30 DGEDRM COc1cc(C#N)ccc1COc1cc(C)sc1C(=O)[O-] ZINC001607065365 1193210852 /nfs/dbraw/zinc/21/08/52/1193210852.db2.gz OHQMYZSFNBQFSZ-UHFFFAOYSA-N -1 0 303.339 3.214 20 30 DGEDRM COc1cc(C#N)ccc1CSCc1nc(C(=O)[O-])cs1 ZINC001607065094 1193211244 /nfs/dbraw/zinc/21/12/44/1193211244.db2.gz HSRFFQYYJXGERF-UHFFFAOYSA-N -1 0 320.395 3.155 20 30 DGEDRM COc1cc(C)nc(N=NC2CCC[C@H](CCCC(=O)[O-])C2)n1 ZINC001607150022 1193215333 /nfs/dbraw/zinc/21/53/33/1193215333.db2.gz PWPZDQCMXAHDOH-GFCCVEGCSA-N -1 0 320.393 3.007 20 30 DGEDRM COc1cc(C=NNc2ccc(C)c(C(=O)[O-])c2)ccc1C#N ZINC001607152956 1193215803 /nfs/dbraw/zinc/21/58/03/1193215803.db2.gz FFPGULZAXWKPCF-UHFFFAOYSA-N -1 0 309.325 3.020 20 30 DGEDRM COc1cc(OCC#Cc2ccccc2Cl)ccc1C(=O)[O-] ZINC001607186286 1193217888 /nfs/dbraw/zinc/21/78/88/1193217888.db2.gz UYNWBHIPIXFFNS-UHFFFAOYSA-N -1 0 316.740 3.477 20 30 DGEDRM O=C(/C=C/c1ccc(F)cc1)C(=O)Nc1ccc(F)c(F)c1[O-] ZINC001468788717 1183360262 /nfs/dbraw/zinc/36/02/62/1183360262.db2.gz JKCYXUOHWKXKBH-FPYGCLRLSA-N -1 0 321.254 3.031 20 30 DGEDRM COc1ccc(F)c(NCc2cccc(C(=O)[O-])c2C#N)c1 ZINC001607267352 1193221481 /nfs/dbraw/zinc/22/14/81/1193221481.db2.gz ZBNUVJYFXXMSSH-UHFFFAOYSA-N -1 0 300.289 3.016 20 30 DGEDRM CC(C)(C(=O)[N-]Oc1cccc(C#N)c1)c1ccc(F)cc1F ZINC001471085834 1183536655 /nfs/dbraw/zinc/53/66/55/1183536655.db2.gz MJCOKRUVXPQLRC-UHFFFAOYSA-N -1 0 316.307 3.224 20 30 DGEDRM Cc1[nH]c(C(=O)O[C@H](C)c2ccc(C#N)cc2)c(C)c1C(=O)[O-] ZINC001607495518 1193232343 /nfs/dbraw/zinc/23/23/43/1193232343.db2.gz OKZPTOGNULUHJF-LLVKDONJSA-N -1 0 312.325 3.119 20 30 DGEDRM Cc1c(C#N)cccc1C(=O)Oc1cc(Cl)ccc1C(=O)[O-] ZINC001607504610 1193233485 /nfs/dbraw/zinc/23/34/85/1193233485.db2.gz PNSRGTXIYAJBRX-UHFFFAOYSA-N -1 0 315.712 3.438 20 30 DGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)O[C@H](C(=O)[O-])C1CC1 ZINC001607523693 1193235265 /nfs/dbraw/zinc/23/52/65/1193235265.db2.gz GBHGDUWXTYPIBL-ZDUSSCGKSA-N -1 0 315.350 3.101 20 30 DGEDRM Cc1c(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)cccc1C(=O)[O-] ZINC001607546812 1193236489 /nfs/dbraw/zinc/23/64/89/1193236489.db2.gz GUUKIZPREPAHIP-JKSUJKDBSA-N -1 0 320.348 3.307 20 30 DGEDRM Cc1c(NCc2ccc(C#N)cc2F)ccc(F)c1C(=O)[O-] ZINC001607549145 1193236947 /nfs/dbraw/zinc/23/69/47/1193236947.db2.gz MPFKFEXRYFJIEH-UHFFFAOYSA-N -1 0 302.280 3.455 20 30 DGEDRM Cc1c(Cl)c(C(=O)[O-])nn1Cc1c(C)cc(C#N)cc1C ZINC001607565415 1193237292 /nfs/dbraw/zinc/23/72/92/1193237292.db2.gz JWUZBBCNWBRIAL-UHFFFAOYSA-N -1 0 303.749 3.080 20 30 DGEDRM Cc1cc(C#N)ccc1C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001607565337 1193237720 /nfs/dbraw/zinc/23/77/20/1193237720.db2.gz GXLNCRYJPGJGLY-UHFFFAOYSA-N -1 0 319.320 3.299 20 30 DGEDRM Cc1nn(Cc2c(C)cc(C#N)cc2C)c(C)c1[C@@H](C)C(=O)[O-] ZINC001607565385 1193237749 /nfs/dbraw/zinc/23/77/49/1193237749.db2.gz JGBLPDVBKFCUHK-GFCCVEGCSA-N -1 0 311.385 3.225 20 30 DGEDRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)N(C)CC(C)(C)C#N ZINC001607617042 1193241292 /nfs/dbraw/zinc/24/12/92/1193241292.db2.gz YBSJJKHJXRDPCJ-UHFFFAOYSA-N -1 0 303.362 3.015 20 30 DGEDRM Cc1cc(CN=Nc2ccc(C(=O)[O-])c(Cl)c2)c(C)n1C ZINC001607633046 1193242902 /nfs/dbraw/zinc/24/29/02/1193242902.db2.gz AQONDRJKFLAORZ-UHFFFAOYSA-N -1 0 305.765 3.440 20 30 DGEDRM Cc1cc(N[C@H](CCC(=O)[O-])Cc2ccccc2)ncc1C#N ZINC001607693411 1193249163 /nfs/dbraw/zinc/24/91/63/1193249163.db2.gz DFFWYFXUAOLBQZ-MRXNPFEDSA-N -1 0 309.369 3.150 20 30 DGEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)NCC1(C#N)CCCCC1 ZINC001607743105 1193252377 /nfs/dbraw/zinc/25/23/77/1193252377.db2.gz DHJXFNCYNACFRJ-UHFFFAOYSA-N -1 0 315.373 3.289 20 30 DGEDRM Cc1ccc(C(=O)[O-])cc1OC(=O)/C=C\c1ccccc1C#N ZINC001607744903 1193252724 /nfs/dbraw/zinc/25/27/24/1193252724.db2.gz 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959734684 /nfs/dbraw/zinc/73/46/84/959734684.db2.gz QXIBEADPHMYHCM-XXSPLJFUSA-N -1 0 320.433 3.102 20 30 DGEDRM C[C@H](CSc1ccc(C#N)c(Br)c1)C(=O)[O-] ZINC000228229886 960004902 /nfs/dbraw/zinc/00/49/02/960004902.db2.gz HVSTWVXNSQXCHZ-SSDOTTSWSA-N -1 0 300.177 3.134 20 30 DGEDRM Cc1cc(NC(=O)c2c[nH]c3cccc(C#N)c23)ccc1C(=O)[O-] ZINC001574340960 960934115 /nfs/dbraw/zinc/93/41/15/960934115.db2.gz BEGMLZPEPIGXRW-UHFFFAOYSA-N -1 0 319.320 3.299 20 30 DGEDRM CCCCCCCCOCC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC001573841010 961075330 /nfs/dbraw/zinc/07/53/30/961075330.db2.gz NSMNVHWMXYFJAJ-CABCVRRESA-N -1 0 313.438 3.075 20 30 DGEDRM C#CCCOc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC001573301606 962631572 /nfs/dbraw/zinc/63/15/72/962631572.db2.gz HHKWUKUZSCPXMI-UHFFFAOYSA-N -1 0 309.321 3.039 20 30 DGEDRM C=C(C)C[C@H](NC(=O)C[C@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)[O-] ZINC001573321453 962758230 /nfs/dbraw/zinc/75/82/30/962758230.db2.gz NJUKVOZPXSLPLK-TUAOUCFPSA-N -1 0 321.339 3.281 20 30 DGEDRM C=C(C)c1cccc(NC(=O)NC[C@H](CC(=O)[O-])C2CC2)c1 ZINC001573325737 962797792 /nfs/dbraw/zinc/79/77/92/962797792.db2.gz NIILBVMLNRPKGS-AWEZNQCLSA-N -1 0 302.374 3.342 20 30 DGEDRM C=C(C)c1cccc(NC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)c1 ZINC001573325489 962798017 /nfs/dbraw/zinc/79/80/17/962798017.db2.gz KJYDWKHZVWQPDX-KSSFIOAISA-N -1 0 314.385 3.438 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](CC)c1ccccc1OCC ZINC001573331859 962818048 /nfs/dbraw/zinc/81/80/48/962818048.db2.gz AIDOPMYJMKRCOJ-CQSZACIVSA-N -1 0 305.374 3.074 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)N1CCC(c2ccccc2C)CC1 ZINC001573332206 962827312 /nfs/dbraw/zinc/82/73/12/962827312.db2.gz KIMMLSWWXJYRJT-UHFFFAOYSA-N -1 0 301.386 3.122 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001573332274 962829420 /nfs/dbraw/zinc/82/94/20/962829420.db2.gz GDEPPTWKHBBQJC-HZPDHXFCSA-N -1 0 301.386 3.250 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC001573332974 962847363 /nfs/dbraw/zinc/84/73/63/962847363.db2.gz 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C=C[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccncc1)c1ccccc1 ZINC001588690755 983876955 /nfs/dbraw/zinc/87/69/55/983876955.db2.gz KTSUGWFUCPCRJG-PBHICJAKSA-N -1 0 324.380 3.074 20 30 DGEDRM CCN(Cc1csc(-c2cccc(C(=O)[O-])c2)n1)[C@H](C)C#N ZINC001596378675 983898340 /nfs/dbraw/zinc/89/83/40/983898340.db2.gz ZFWLAPADMCKXEJ-LLVKDONJSA-N -1 0 315.398 3.242 20 30 DGEDRM C=C[C@H](Sc1nc(=O)c2c3c(sc2[nH]1)CCCC3)C(=O)[O-] ZINC001588715584 983956466 /nfs/dbraw/zinc/95/64/66/983956466.db2.gz ZUBUSPFWSMXTSC-QMMMGPOBSA-N -1 0 322.411 3.007 20 30 DGEDRM C=CC[C@H](C(=O)O[C@H](C)c1nc(C(=O)[O-])co1)c1ccccc1 ZINC001588731606 984009134 /nfs/dbraw/zinc/00/91/34/984009134.db2.gz LETFUCZKKAOCLX-YPMHNXCESA-N -1 0 315.325 3.337 20 30 DGEDRM C=CCC(F)(F)C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001588742867 984034800 /nfs/dbraw/zinc/03/48/00/984034800.db2.gz MMIKHOWFGLYQKC-JTQLQIEISA-N -1 0 304.676 3.220 20 30 DGEDRM C=CC[C@H](Sc1nccn1-c1ccc(N(C)C)cc1)C(=O)[O-] ZINC001588758722 984107408 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C=CCC1(C(=O)NCc2ccc(C(=O)[O-])cc2F)CCCC1 ZINC001588764550 984122125 /nfs/dbraw/zinc/12/21/25/984122125.db2.gz DZZUVHUVTRVWIO-UHFFFAOYSA-N -1 0 305.349 3.277 20 30 DGEDRM C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001588770551 984134597 /nfs/dbraw/zinc/13/45/97/984134597.db2.gz ARZSTLOUDAELNO-JKSUJKDBSA-N -1 0 322.449 3.408 20 30 DGEDRM C=CCCC(C)(C)CNC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001588776979 984154555 /nfs/dbraw/zinc/15/45/55/984154555.db2.gz PINWYIHSRXEOFX-UHFFFAOYSA-N -1 0 304.390 3.176 20 30 DGEDRM C=CCCCC(=O)N[C@@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001588781777 984167664 /nfs/dbraw/zinc/16/76/64/984167664.db2.gz GWCHQEXLRNRPTK-WBVHZDCISA-N -1 0 315.413 3.422 20 30 DGEDRM C=CCC[C@H]1CCCN1C(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC001588782024 984169654 /nfs/dbraw/zinc/16/96/54/984169654.db2.gz NEHODWVDYNSBKT-LBPRGKRZSA-N -1 0 318.373 3.356 20 30 DGEDRM C=CCC[C@@H]1CCCN1C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001588782278 984171048 /nfs/dbraw/zinc/17/10/48/984171048.db2.gz 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ZINC001588792335 984208582 /nfs/dbraw/zinc/20/85/82/984208582.db2.gz DFTONDUTCQCTHR-HNNXBMFYSA-N -1 0 314.385 3.027 20 30 DGEDRM C=CCCC[C@@H](NC(=O)c1cccc(F)c1SC)C(=O)[O-] ZINC001588792773 984213093 /nfs/dbraw/zinc/21/30/93/984213093.db2.gz DZZLWYSDPRNCPP-GFCCVEGCSA-N -1 0 311.378 3.087 20 30 DGEDRM C=CCCCCCCCNC(=O)N1CCC(CC(=O)[O-])CC1 ZINC001588798945 984239761 /nfs/dbraw/zinc/23/97/61/984239761.db2.gz VUMGOTLAIUIJGP-UHFFFAOYSA-N -1 0 310.438 3.409 20 30 DGEDRM C=CCCCCNC(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001588802784 984251246 /nfs/dbraw/zinc/25/12/46/984251246.db2.gz ZTXZTBQCKXSLKI-UHFFFAOYSA-N -1 0 313.357 3.411 20 30 DGEDRM C=CCCO[C@@H](C)C(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-] ZINC001588808654 984263003 /nfs/dbraw/zinc/26/30/03/984263003.db2.gz IPFYROJNOSPLPJ-QMMMGPOBSA-N -1 0 315.728 3.097 20 30 DGEDRM C=CCCOCCCCC(=O)Nc1scc(C)c1C(=O)[O-] ZINC001588810587 984268736 /nfs/dbraw/zinc/26/87/36/984268736.db2.gz ZGOKMOJBYPEBHG-UHFFFAOYSA-N -1 0 311.403 3.456 20 30 DGEDRM C=CCN(CCc1ccccc1)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001588828919 984310060 /nfs/dbraw/zinc/31/00/60/984310060.db2.gz TWSASTYVFZXTTP-UHFFFAOYSA-N -1 0 323.392 3.185 20 30 DGEDRM C=CCOCCCC(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001588866159 984422765 /nfs/dbraw/zinc/42/27/65/984422765.db2.gz AIKHCNSMGAMSPA-MRXNPFEDSA-N -1 0 318.369 3.288 20 30 DGEDRM C=CCOCCCC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001588866945 984428814 /nfs/dbraw/zinc/42/88/14/984428814.db2.gz UMSYYSYACITUHL-UHFFFAOYSA-N -1 0 313.353 3.459 20 30 DGEDRM C=CCOc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC001588874620 984448602 /nfs/dbraw/zinc/44/86/02/984448602.db2.gz CEAQJHWZBHMXHH-AWEZNQCLSA-N -1 0 318.350 3.296 20 30 DGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H](C)CCC ZINC001588881888 984461652 /nfs/dbraw/zinc/46/16/52/984461652.db2.gz GVCDSXMNGQJQCA-NSHDSACASA-N -1 0 306.358 3.464 20 30 DGEDRM C=CCc1ccc(OC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c(OC)c1 ZINC001588885227 984466330 /nfs/dbraw/zinc/46/63/30/984466330.db2.gz 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COc1cc(CNc2ccc(C[C@H](C)C(=O)[O-])cc2)ccc1C#N ZINC000417610926 434463142 /nfs/dbraw/zinc/46/31/42/434463142.db2.gz OHNZNDBMRGRQDN-ZDUSSCGKSA-N -1 0 324.380 3.442 20 30 DGEDRM O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cccn2c([O-])nnc12 ZINC000329507073 295383248 /nfs/dbraw/zinc/38/32/48/295383248.db2.gz LSCBWPMTSYXWSV-YNEHKIRRSA-N -1 0 314.389 3.098 20 30 DGEDRM N#Cc1ccc(C(=O)N2CC3(CCC3)c3ccccc32)cc1[O-] ZINC000360494140 434619657 /nfs/dbraw/zinc/61/96/57/434619657.db2.gz BXWQZDGOPBQZDL-UHFFFAOYSA-N -1 0 304.349 3.346 20 30 DGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cc2cscc2s1 ZINC000528924699 435031256 /nfs/dbraw/zinc/03/12/56/435031256.db2.gz RCVKYKALPWEBHC-LLVKDONJSA-N -1 0 318.423 3.344 20 30 DGEDRM CN(C(=O)c1ccc(C#Cc2ccccc2)cc1)C(C)(C)C(=O)[O-] ZINC000561736307 435231308 /nfs/dbraw/zinc/23/13/08/435231308.db2.gz QYHFCAUEKIPYRA-UHFFFAOYSA-N -1 0 321.376 3.022 20 30 DGEDRM CCCn1nccc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000565247286 435277929 /nfs/dbraw/zinc/27/79/29/435277929.db2.gz YLHPKJSXFBMRSB-LLVKDONJSA-N -1 0 302.403 3.363 20 30 DGEDRM C=CCC[C@H](NC(=O)N[C@H]1CCc2c1cccc2Cl)C(=O)[O-] ZINC000566546615 435287240 /nfs/dbraw/zinc/28/72/40/435287240.db2.gz KNNDVOLDQTZXQX-KBPBESRZSA-N -1 0 322.792 3.046 20 30 DGEDRM Cc1cccc([C@H](NC(=O)Nc2ccc(C#N)cc2)C(=O)[O-])c1C ZINC000567310694 435307385 /nfs/dbraw/zinc/30/73/85/435307385.db2.gz AZSJGMYKFICARK-INIZCTEOSA-N -1 0 323.352 3.123 20 30 DGEDRM CC(C)(C)n1cnc(C([O-])=C(C#N)c2ccc3ccccc3n2)n1 ZINC000643674720 435357494 /nfs/dbraw/zinc/35/74/94/435357494.db2.gz RPENPJGENGRKIJ-CYBMUJFWSA-N -1 0 319.368 3.071 20 30 DGEDRM C=CCCC1(C(=O)N=c2nc(Cc3ccccc3)[n-]s2)CC1 ZINC000479995676 435361501 /nfs/dbraw/zinc/36/15/01/435361501.db2.gz SCYXZODVTOMMHH-UHFFFAOYSA-N -1 0 313.426 3.236 20 30 DGEDRM CCCc1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)n[nH]1 ZINC000643778388 435370708 /nfs/dbraw/zinc/37/07/08/435370708.db2.gz FKQZAYFGRHHJHL-LLVKDONJSA-N -1 0 322.290 3.266 20 30 DGEDRM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1C#N ZINC000537271222 435436130 /nfs/dbraw/zinc/43/61/30/435436130.db2.gz RYBJLOOXYAOFFP-UHFFFAOYSA-N -1 0 324.764 3.460 20 30 DGEDRM CCn1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)n1 ZINC000569845099 435567314 /nfs/dbraw/zinc/56/73/14/435567314.db2.gz NKKRIIPRHKHPOJ-JTQLQIEISA-N -1 0 302.403 3.147 20 30 DGEDRM C=CCC(C)(C)CNC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655880108 435854017 /nfs/dbraw/zinc/85/40/17/435854017.db2.gz WJCAGWFQOHHQNJ-RWMBFGLXSA-N -1 0 310.438 3.023 20 30 DGEDRM Cc1cc(N=C([O-])[C@@H]2C[C@]23CCOc2ccccc23)cn(C)c1=O ZINC000328780175 301345249 /nfs/dbraw/zinc/34/52/49/301345249.db2.gz GZDFFMNMCXECKC-KXBFYZLASA-N -1 0 324.380 3.022 20 30 DGEDRM C=CCCc1ccccc1NC(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663354519 436446509 /nfs/dbraw/zinc/44/65/09/436446509.db2.gz RZBGGWHLSWYOKR-HNNXBMFYSA-N -1 0 316.401 3.428 20 30 DGEDRM Cn1ncc(C2CC2)c1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000659011027 436457141 /nfs/dbraw/zinc/45/71/41/436457141.db2.gz AZNYQJSOKXOCJF-LLVKDONJSA-N -1 0 322.393 3.397 20 30 DGEDRM Cc1ccn2cnc(C([O-])=C(C#N)c3nc(C4CC4)cs3)c2c1 ZINC000659116109 436462153 /nfs/dbraw/zinc/46/21/53/436462153.db2.gz NRWWOEUJBFLMSO-LBPRGKRZSA-N -1 0 322.393 3.467 20 30 DGEDRM C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000659166802 436470989 /nfs/dbraw/zinc/47/09/89/436470989.db2.gz UEWORCZQVJOQTQ-XHDPSFHLSA-N -1 0 305.349 3.389 20 30 DGEDRM C=CC[C@H]1CCCC[C@H]1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000659166704 436471348 /nfs/dbraw/zinc/47/13/48/436471348.db2.gz QNEWKSONLCAXIV-XJKSGUPXSA-N -1 0 301.386 3.178 20 30 DGEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000659406294 436504953 /nfs/dbraw/zinc/50/49/53/436504953.db2.gz LUQQZIYNMKDERF-URGYJCLVSA-N -1 0 308.422 3.064 20 30 DGEDRM C=C(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1ccccc1 ZINC000659402632 436505008 /nfs/dbraw/zinc/50/50/08/436505008.db2.gz JGRXZYQPMSICEX-HNNXBMFYSA-N -1 0 318.417 3.136 20 30 DGEDRM C=CCCC1(CNC(=O)NC2CCC(C(=O)[O-])CC2)CCCC1 ZINC000659408796 436506265 /nfs/dbraw/zinc/50/62/65/436506265.db2.gz 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333314358 /nfs/dbraw/zinc/31/43/58/333314358.db2.gz VATHMYSJPJKWEU-HNNXBMFYSA-N -1 0 321.442 3.267 20 30 DGEDRM Cc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)sc1C ZINC000531423845 333351254 /nfs/dbraw/zinc/35/12/54/333351254.db2.gz PDOCMKDMPWVPIN-LLVKDONJSA-N -1 0 310.382 3.435 20 30 DGEDRM COc1ccccc1C=CC(=O)[N-]S(=O)(=O)c1cccs1 ZINC000048427112 334286265 /nfs/dbraw/zinc/28/62/65/334286265.db2.gz PBFIOIVPFQGRKU-HJWRWDBZSA-N -1 0 323.395 3.115 20 30 DGEDRM CCc1ncncc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000582822184 337202719 /nfs/dbraw/zinc/20/27/19/337202719.db2.gz JMEHWBLOICESLQ-SNVBAGLBSA-N -1 0 314.414 3.283 20 30 DGEDRM C=CCCC[C@H](C)NC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000398223032 337309950 /nfs/dbraw/zinc/30/99/50/337309950.db2.gz OOPZXDUJGOJYBH-XJKSGUPXSA-N -1 0 316.401 3.125 20 30 DGEDRM C=C(C)COCCNC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000119650320 337863578 /nfs/dbraw/zinc/86/35/78/337863578.db2.gz JUYZBAXLSXMHPQ-UHFFFAOYSA-N -1 0 304.173 3.022 20 30 DGEDRM COCc1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)o1 ZINC000097261771 337944382 /nfs/dbraw/zinc/94/43/82/337944382.db2.gz FUPQHQCETSBKFW-NSHDSACASA-N -1 0 324.258 3.330 20 30 DGEDRM COCc1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)o1 ZINC000097261772 337944406 /nfs/dbraw/zinc/94/44/06/337944406.db2.gz FUPQHQCETSBKFW-LLVKDONJSA-N -1 0 324.258 3.330 20 30 DGEDRM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc2ccncc21 ZINC000526004909 340708394 /nfs/dbraw/zinc/70/83/94/340708394.db2.gz AQNWKTWGTKEFHV-UHFFFAOYSA-N -1 0 323.377 3.102 20 30 DGEDRM CC(C)c1csc(C(C#N)=C([O-])c2cnc3nccnc3c2)n1 ZINC000545451907 341125449 /nfs/dbraw/zinc/12/54/49/341125449.db2.gz IJJYVUJHOGBGBI-LLVKDONJSA-N -1 0 323.381 3.095 20 30 DGEDRM C=CCCC[C@@H](C)NC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-] ZINC000577691886 341929252 /nfs/dbraw/zinc/92/92/52/341929252.db2.gz RSVNNNKAEIUTSJ-CABCVRRESA-N -1 0 318.417 3.416 20 30 DGEDRM C=CCN(Cc1cccs1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000183968035 526376134 /nfs/dbraw/zinc/37/61/34/526376134.db2.gz WFRRDIDKYSREKN-QWHCGFSZSA-N -1 0 307.415 3.154 20 30 DGEDRM C=CCC(CC=C)C(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000345860545 527033608 /nfs/dbraw/zinc/03/36/08/527033608.db2.gz BVRQBNHAELGTTL-UHFFFAOYSA-N -1 0 312.369 3.433 20 30 DGEDRM C=CCC[C@H](NC(=O)[C@H](C)c1ccc(Cl)s1)C(=O)[O-] ZINC000262773896 527480741 /nfs/dbraw/zinc/48/07/41/527480741.db2.gz AOWRADIUOUDLOU-BDAKNGLRSA-N -1 0 301.795 3.041 20 30 DGEDRM CC(=Cc1cc2cc(F)ccc2o1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435334387 527499180 /nfs/dbraw/zinc/49/91/80/527499180.db2.gz AIEVPPJIZJTKPP-UITAMQMPSA-N -1 0 309.300 3.396 20 30 DGEDRM CC(=Cc1ccc2ncccc2c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435340252 527500305 /nfs/dbraw/zinc/50/03/05/527500305.db2.gz FSEBTXOTPDXKMH-FLIBITNWSA-N -1 0 302.337 3.059 20 30 DGEDRM CC(=Cc1cc(C)c2ncccc2c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435339458 527523873 /nfs/dbraw/zinc/52/38/73/527523873.db2.gz UECAOGASNDZWQJ-XYOKQWHBSA-N -1 0 316.364 3.367 20 30 DGEDRM CCCCCn1nc(C)cc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000443294593 528296690 /nfs/dbraw/zinc/29/66/90/528296690.db2.gz LHTICASANBZUJI-UHFFFAOYSA-N -1 0 312.373 3.211 20 30 DGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2c(C)coc2C)n1 ZINC000342337604 528363692 /nfs/dbraw/zinc/36/36/92/528363692.db2.gz ZRYFVZCKPQORFT-JTQLQIEISA-N -1 0 318.354 3.020 20 30 DGEDRM CCC(=O)c1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1 ZINC000340875124 528457462 /nfs/dbraw/zinc/45/74/62/528457462.db2.gz LMEYUBNXBDHRGO-HNNXBMFYSA-N -1 0 307.353 3.176 20 30 DGEDRM CC(C)n1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cn1 ZINC000345645125 528558650 /nfs/dbraw/zinc/55/86/50/528558650.db2.gz UGNMPUMIVKENFH-GFCCVEGCSA-N -1 0 322.290 3.368 20 30 DGEDRM CCCc1nc(C)c(C([O-])=Nc2cc(C)cn(C)c2=O)s1 ZINC000331143028 528717534 /nfs/dbraw/zinc/71/75/34/528717534.db2.gz RONSTSICNJAZBW-UHFFFAOYSA-N -1 0 305.403 3.047 20 30 DGEDRM CCCOc1cccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)c1 ZINC000435334390 528731105 /nfs/dbraw/zinc/73/11/05/528731105.db2.gz AJJYVNBEBMXZII-XFXZXTDPSA-N -1 0 309.369 3.299 20 30 DGEDRM CCCSc1nc(=NC(=O)N2C[C@@H]3CCC[C@H]3C2)s[n-]1 ZINC000330074401 528831815 /nfs/dbraw/zinc/83/18/15/528831815.db2.gz FPEBOGQBQXOZFN-UWVGGRQHSA-N -1 0 312.464 3.318 20 30 DGEDRM CCCn1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cn1 ZINC000181695900 528840241 /nfs/dbraw/zinc/84/02/41/528840241.db2.gz PFNLAJCGBIXTFS-GFCCVEGCSA-N -1 0 302.403 3.363 20 30 DGEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1S[C@@H](C)CC#N ZINC000416961887 529270798 /nfs/dbraw/zinc/27/07/98/529270798.db2.gz SRTNSRFOEFKNIA-RYUDHWBXSA-N -1 0 323.443 3.125 20 30 DGEDRM C=CCC[C@H](NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])c1ccccc1 ZINC000676408196 548359540 /nfs/dbraw/zinc/35/95/40/548359540.db2.gz CHEYZYJAKFYQKV-BBWFWOEESA-N -1 0 313.397 3.477 20 30 DGEDRM Cc1ncc(C([O-])=C(C#N)c2ccc3ccccc3n2)c(C)n1 ZINC000679089976 548828720 /nfs/dbraw/zinc/82/87/20/548828720.db2.gz OVSZRMHMWMYSJG-CQSZACIVSA-N -1 0 302.337 3.132 20 30 DGEDRM N#CC(=C([O-])c1nccs1)c1nc2cc(F)ccc2s1 ZINC000683689703 549519134 /nfs/dbraw/zinc/51/91/34/549519134.db2.gz 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DGEDRM O=C([O-])c1ccc(C2=NN/C(=N/C3CCCCC3)SC2)cc1 ZINC001602331379 1192970195 /nfs/dbraw/zinc/97/01/95/1192970195.db2.gz AXALSXYRGWJEEK-UHFFFAOYSA-N -1 0 317.414 3.114 20 30 DGEDRM O=C([O-])c1ccc(C2=NNC(=Nc3ccccc3)SC2)cc1 ZINC001602331660 1192970484 /nfs/dbraw/zinc/97/04/84/1192970484.db2.gz MQVDRCGCYAEQOL-UHFFFAOYSA-N -1 0 311.366 3.113 20 30 DGEDRM O=C([O-])Cc1ccc([N-][NH+]=Cc2ccccc2N2CCCC2)cc1 ZINC001346493843 1179711091 /nfs/dbraw/zinc/71/10/91/1179711091.db2.gz VJSRNNVRRGXFOT-UHFFFAOYSA-N -1 0 323.396 3.360 20 30 DGEDRM O=C([O-])c1ccc(NN=Cc2cccc([N+](=O)[O-])c2)cc1Cl ZINC001602382193 1192976026 /nfs/dbraw/zinc/97/60/26/1192976026.db2.gz ALTZXVBNEWCIPF-UHFFFAOYSA-N -1 0 319.704 3.392 20 30 DGEDRM O=C([O-])c1cccc(C#CCOC(=O)C2CCC(F)(F)CC2)c1 ZINC001602430839 1192979362 /nfs/dbraw/zinc/97/93/62/1192979362.db2.gz TYAHBWIVGCHNQA-UHFFFAOYSA-N -1 0 322.307 3.105 20 30 DGEDRM CCSc1ccc(C([O-])=C(C#N)c2ncc(Cl)n2C)cn1 ZINC001347338182 1179797556 /nfs/dbraw/zinc/79/75/56/1179797556.db2.gz 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C=C(C)[C@@H](NCc1ccc(C(=O)[O-])cn1)c1ccc(F)c(F)c1 ZINC001602747391 1192996085 /nfs/dbraw/zinc/99/60/85/1192996085.db2.gz QEOYTPJKTDHDEU-MRXNPFEDSA-N -1 0 318.323 3.465 20 30 DGEDRM C=C(C)[C@@H](CC(=O)Oc1ccc(C(=O)[O-])c(Cl)c1)OCC ZINC001602747089 1192996455 /nfs/dbraw/zinc/99/64/55/1192996455.db2.gz KPVXOMXYMHFJDK-CYBMUJFWSA-N -1 0 312.749 3.315 20 30 DGEDRM C=C(C)CCC(=O)N1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C ZINC001349997407 1179994682 /nfs/dbraw/zinc/99/46/82/1179994682.db2.gz PTKNHEQCZVXFCZ-CQSZACIVSA-N -1 0 304.390 3.133 20 30 DGEDRM C=C(C)C[C@H](Nc1ncnc2sc3c(c21)CCC3)C(=O)[O-] ZINC001602757627 1192996516 /nfs/dbraw/zinc/99/65/16/1192996516.db2.gz RZSRCKQFVSKRTE-JTQLQIEISA-N -1 0 303.387 3.011 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)N(C)[C@H](CC)c1cccc(OC)c1 ZINC001602774720 1192996889 /nfs/dbraw/zinc/99/68/89/1192996889.db2.gz UROLMQZQOLHRFT-OAHLLOKOSA-N -1 0 305.374 3.026 20 30 DGEDRM C=C(C)CC[C@@H](C)OC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-] ZINC001602761218 1192996989 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C=C[C@H](CC)CC(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC001602816398 1192998786 /nfs/dbraw/zinc/99/87/86/1192998786.db2.gz MAEHBHUSVKXQSN-SECBINFHSA-N -1 0 319.386 3.377 20 30 DGEDRM C=C[C@@H](Nc1ccc(OCc2ccccc2F)cc1)C(=O)[O-] ZINC001602820945 1192998797 /nfs/dbraw/zinc/99/87/97/1192998797.db2.gz QWNNBAKOGADTEB-MRXNPFEDSA-N -1 0 301.317 3.456 20 30 DGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001602842798 1192999710 /nfs/dbraw/zinc/99/97/10/1192999710.db2.gz PLUCLEHAOVILCH-ULQDDVLXSA-N -1 0 315.413 3.181 20 30 DGEDRM C=CC[C@@H]1CCCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001602855484 1192999978 /nfs/dbraw/zinc/99/99/78/1192999978.db2.gz RVRXXRORXHRLLA-SNVBAGLBSA-N -1 0 324.327 3.483 20 30 DGEDRM C=CCC1(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)CCCC1 ZINC001602850040 1192999998 /nfs/dbraw/zinc/99/99/98/1192999998.db2.gz RKNXEDXOGBLNJO-UHFFFAOYSA-N -1 0 301.386 3.480 20 30 DGEDRM C=CC[C@H]1CCN(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1 ZINC001602854947 1193000002 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C=CCNc1nnc(SCc2cc(C(=O)[O-])oc2C)s1 ZINC001602907077 1193002196 /nfs/dbraw/zinc/00/21/96/1193002196.db2.gz WAUXEUACTSGCLT-UHFFFAOYSA-N -1 0 311.388 3.028 20 30 DGEDRM C=CCOCCCC(=O)Nc1c(C)ccc(Cl)c1C(=O)[O-] ZINC001602915775 1193002265 /nfs/dbraw/zinc/00/22/65/1193002265.db2.gz XJNMBTDQRAKATO-UHFFFAOYSA-N -1 0 311.765 3.268 20 30 DGEDRM C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001602939970 1193002544 /nfs/dbraw/zinc/00/25/44/1193002544.db2.gz DSRBWVKQFNPRMI-NEPJUHHUSA-N -1 0 317.366 3.129 20 30 DGEDRM C=CCSc1ccccc1C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001602925986 1193002627 /nfs/dbraw/zinc/00/26/27/1193002627.db2.gz JUPCBYQEXPJMNA-UHFFFAOYSA-N -1 0 314.366 3.310 20 30 DGEDRM C=CCn1c(SC[C@@H]2CCCC[C@H]2C(=O)[O-])nnc1C1CC1 ZINC001602937384 1193002856 /nfs/dbraw/zinc/00/28/56/1193002856.db2.gz XSVZQCCBEZYNSO-QWHCGFSZSA-N -1 0 321.446 3.325 20 30 DGEDRM CC(N=Nc1ncccc1C(F)(F)F)c1cc(C(=O)[O-])co1 ZINC001602992343 1193005430 /nfs/dbraw/zinc/00/54/30/1193005430.db2.gz 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C=CCCC[C@@H](NC(=O)c1cncc(-c2ccccc2)c1)C(=O)[O-] ZINC001588798267 984235005 /nfs/dbraw/zinc/23/50/05/984235005.db2.gz ZBJDWUMLVITNRF-QGZVFWFLSA-N -1 0 324.380 3.288 20 30 DGEDRM C=CCCSCCNC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001588814729 984272808 /nfs/dbraw/zinc/27/28/08/984272808.db2.gz NMVCIQUUYSTLKS-UHFFFAOYSA-N -1 0 322.430 3.135 20 30 DGEDRM C=CCN(CCC#N)[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001588826769 984306208 /nfs/dbraw/zinc/30/62/08/984306208.db2.gz VXWBTYNOLPHBSD-ZDUSSCGKSA-N -1 0 312.291 3.233 20 30 DGEDRM C=CCOCCCC(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001588866157 984422893 /nfs/dbraw/zinc/42/28/93/984422893.db2.gz AIKHCNSMGAMSPA-INIZCTEOSA-N -1 0 318.369 3.288 20 30 DGEDRM C=CCOc1cccc(N[C@H](Cc2ccc(F)cc2)C(=O)[O-])c1 ZINC001588872949 984443716 /nfs/dbraw/zinc/44/37/16/984443716.db2.gz UWAHSSAJGYSLLX-QGZVFWFLSA-N -1 0 315.344 3.498 20 30 DGEDRM C=CCn1ncc2ccc(N[C@@H]3C[C@@H]4C[C@@H](C(=O)[O-])C[C@@H]34)cc21 ZINC001588912016 984549806 /nfs/dbraw/zinc/54/98/06/984549806.db2.gz 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C=CCCCN(CC)C(=O)Nc1cc(OC)ccc1C(=O)[O-] ZINC001602875035 1193001298 /nfs/dbraw/zinc/00/12/98/1193001298.db2.gz RQZLQDGKRPEHAV-UHFFFAOYSA-N -1 0 306.362 3.213 20 30 DGEDRM C=CCCC[C@H](NC(=O)c1cccc2c1CCCC2)C(=O)[O-] ZINC001602871540 1193001424 /nfs/dbraw/zinc/00/14/24/1193001424.db2.gz NMAIQVKLBHITJC-INIZCTEOSA-N -1 0 301.386 3.105 20 30 DGEDRM C=CCOc1cccc(NC(=O)c2ccc(/C=C\C(=O)[O-])o2)c1 ZINC001602921765 1193002929 /nfs/dbraw/zinc/00/29/29/1193002929.db2.gz QIDVNMQJMVOHHR-CLFYSBASSA-N -1 0 313.309 3.195 20 30 DGEDRM CC(N=Nc1cccc(Cl)n1)c1ccccc1OCC(=O)[O-] ZINC001602992114 1193005060 /nfs/dbraw/zinc/00/50/60/1193005060.db2.gz HUUFZTOUZSAUMZ-UHFFFAOYSA-N -1 0 319.748 3.035 20 30 DGEDRM CC(=NNc1ccc(C)c(C(=O)[O-])c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001602992115 1193005385 /nfs/dbraw/zinc/00/53/85/1193005385.db2.gz HWRZTPKMJFYHTH-UHFFFAOYSA-N -1 0 324.340 3.111 20 30 DGEDRM CC(N=Nc1cccc(C(F)(F)F)n1)c1cc(C(=O)[O-])co1 ZINC001602992102 1193005437 /nfs/dbraw/zinc/00/54/37/1193005437.db2.gz 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C#C[C@H]1CCCCN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001588386065 957976939 /nfs/dbraw/zinc/97/69/39/957976939.db2.gz NMYBWJFGSGVKSX-VIFPVBQESA-N -1 0 324.739 3.197 20 30 DGEDRM C#CCC1(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CCCCC1 ZINC001588391566 958025789 /nfs/dbraw/zinc/02/57/89/958025789.db2.gz JLACZMABYLUJAB-QLFBSQMISA-N -1 0 319.445 3.212 20 30 DGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1c(CCC)cccc1C(C)C ZINC001588411205 958147678 /nfs/dbraw/zinc/14/76/78/958147678.db2.gz RAUISBWQIKFBOM-UHFFFAOYSA-N -1 0 316.401 3.314 20 30 DGEDRM Cc1cc(Nc2c(C#N)nnc3ccccc32)ccc1C(=O)[O-] ZINC001594325343 958163404 /nfs/dbraw/zinc/16/34/04/958163404.db2.gz RAMUFDVHDRORDH-UHFFFAOYSA-N -1 0 304.309 3.252 20 30 DGEDRM C#CCSc1ccc(COC(=O)CCCCC(=O)[O-])cc1 ZINC001588432805 958288515 /nfs/dbraw/zinc/28/85/15/958288515.db2.gz FBQIXNCMSUSLDR-UHFFFAOYSA-N -1 0 306.383 3.100 20 30 DGEDRM C#Cc1ccc(NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001588439308 958314623 /nfs/dbraw/zinc/31/46/23/958314623.db2.gz 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ZINC001588456942 958441443 /nfs/dbraw/zinc/44/14/43/958441443.db2.gz CDYBCJXCKAURPG-CABCVRRESA-N -1 0 322.449 3.265 20 30 DGEDRM C=CCC1(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CCCCC1 ZINC001588457555 958452224 /nfs/dbraw/zinc/45/22/24/958452224.db2.gz FPECOJBNMDOLNS-LSDHHAIUSA-N -1 0 305.418 3.082 20 30 DGEDRM C=CCCC[C@@H](C(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001588457773 958453781 /nfs/dbraw/zinc/45/37/81/958453781.db2.gz CTGWIOFHALJCQH-IAGOWNOFSA-N -1 0 315.413 3.450 20 30 DGEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC001588458405 958462345 /nfs/dbraw/zinc/46/23/45/958462345.db2.gz UOIHHEWWDYOCQX-KFWWJZLASA-N -1 0 310.438 3.167 20 30 DGEDRM C#CCC1(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])CCCCC1 ZINC001573319295 958470153 /nfs/dbraw/zinc/47/01/53/958470153.db2.gz VWLLELLBVKWBPP-CQSZACIVSA-N -1 0 307.434 3.356 20 30 DGEDRM C#Cc1cccc(N(CC)C(=O)/C=C\c2ccc(C(=O)[O-])o2)c1 ZINC001573327746 958493696 /nfs/dbraw/zinc/49/36/96/958493696.db2.gz VOPKGHZSWOPQGK-LUAWRHEFSA-N -1 0 309.321 3.025 20 30 DGEDRM C=CCC1(NC(=O)NCC(CC)(CC)C(=O)[O-])CCCCC1 ZINC001573328891 958502601 /nfs/dbraw/zinc/50/26/01/958502601.db2.gz RKUBGTXSSPWIFU-UHFFFAOYSA-N -1 0 310.438 3.456 20 30 DGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)C(CC)(CC)C(=O)[O-] ZINC001573329260 958506950 /nfs/dbraw/zinc/50/69/50/958506950.db2.gz BHBQRZBFRXHKBY-HNNXBMFYSA-N -1 0 303.402 3.181 20 30 DGEDRM C=C[C@@H](C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC001573330445 958518472 /nfs/dbraw/zinc/51/84/72/958518472.db2.gz ZOKMWHRYRLBTQO-VQIMIIECSA-N -1 0 309.365 3.072 20 30 DGEDRM C=CCc1ccc(OC(=O)[C@H](C(=O)[O-])C2CCCC2)c(OC)c1 ZINC001588470450 958528385 /nfs/dbraw/zinc/52/83/85/958528385.db2.gz NHCSOLRBXILELD-INIZCTEOSA-N -1 0 318.369 3.220 20 30 DGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(CC2CCCCC2)CC1 ZINC001588535067 958927455 /nfs/dbraw/zinc/92/74/55/958927455.db2.gz MGHVGYPRZSMDNK-GOSISDBHSA-N -1 0 320.433 3.200 20 30 DGEDRM C[C@@H](C(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC001588575355 959217037 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CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(C(=O)[O-])c1 ZINC001573857260 961155840 /nfs/dbraw/zinc/15/58/40/961155840.db2.gz NBQPGXGKDCRGHU-UHFFFAOYSA-N -1 0 322.364 3.309 20 30 DGEDRM N#Cc1cc(Cl)ccc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001574485174 961675589 /nfs/dbraw/zinc/67/55/89/961675589.db2.gz CESKSDJDQTXZQS-UHFFFAOYSA-N -1 0 300.701 3.162 20 30 DGEDRM N#Cc1ccc(N(C(=O)c2cccc(C(=O)[O-])c2)C2CCC2)cc1 ZINC001574488225 961693581 /nfs/dbraw/zinc/69/35/81/961693581.db2.gz OAYKFABLUCYWFQ-UHFFFAOYSA-N -1 0 320.348 3.456 20 30 DGEDRM C=C[C@@H](CC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])c1ccccc1 ZINC001346358800 962360593 /nfs/dbraw/zinc/36/05/93/962360593.db2.gz MHLPQSBJRGTGOZ-CWRNSKLLSA-N -1 0 301.386 3.106 20 30 DGEDRM C#Cc1cccc(N(C(=O)c2ccc(/C=C/C(=O)[O-])o2)C(C)C)c1 ZINC001573313855 962737121 /nfs/dbraw/zinc/73/71/21/962737121.db2.gz RZBVSDGDYCNVHR-PKNBQFBNSA-N -1 0 323.348 3.414 20 30 DGEDRM C=C(C)CCC(=O)N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001517383788 962780583 /nfs/dbraw/zinc/78/05/83/962780583.db2.gz 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964057188 /nfs/dbraw/zinc/05/71/88/964057188.db2.gz UBXNZDGKDXYALK-BENRWUELSA-N -1 0 316.353 3.282 20 30 DGEDRM C=C(C)c1cccc(NC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC001588444506 964064248 /nfs/dbraw/zinc/06/42/48/964064248.db2.gz GDVCTBWFOWPGOE-SWLSCSKDSA-N -1 0 302.374 3.294 20 30 DGEDRM Cc1cc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])cc(C)c1C#N ZINC001605115644 972772989 /nfs/dbraw/zinc/77/29/89/972772989.db2.gz CYIYEHCHZKOYEV-HNNXBMFYSA-N -1 0 314.385 3.035 20 30 DGEDRM Cc1cccc(-c2ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])nc2)c1 ZINC001605318782 973149760 /nfs/dbraw/zinc/14/97/60/973149760.db2.gz MWFQUYJNDUGWJK-SFHVURJKSA-N -1 0 323.352 3.000 20 30 DGEDRM C[C@H]1c2c(C#N)c(NC(=O)CCCC(=O)[O-])sc2CC[C@@H]1C ZINC001603439231 973214681 /nfs/dbraw/zinc/21/46/81/973214681.db2.gz MDZOTHODSCVXRV-VHSXEESVSA-N -1 0 320.414 3.499 20 30 DGEDRM N#Cc1cccc(Br)c1N1CCC[C@H](CC(=O)[O-])C1 ZINC001605617564 973934500 /nfs/dbraw/zinc/93/45/00/973934500.db2.gz MHUOELLUBIFSPQ-SNVBAGLBSA-N -1 0 323.190 3.012 20 30 DGEDRM CC(C)Oc1ccc(CNc2ccc(C(=O)[O-])nc2C#N)cc1 ZINC001591775127 975915219 /nfs/dbraw/zinc/91/52/19/975915219.db2.gz GWQOKRSPQYYLCE-UHFFFAOYSA-N -1 0 311.341 3.051 20 30 DGEDRM CC(C)c1nc(NC(=O)c2cccc(C#N)c2)sc1C(=O)[O-] ZINC001592028426 976727223 /nfs/dbraw/zinc/72/72/23/976727223.db2.gz HSGIAUNTGISKJP-UHFFFAOYSA-N -1 0 315.354 3.089 20 30 DGEDRM CC(C)c1nccnc1N=NCc1cc(Cl)ccc1C(=O)[O-] ZINC001592039470 976761060 /nfs/dbraw/zinc/76/10/60/976761060.db2.gz JVIXIWKSONPING-UHFFFAOYSA-N -1 0 318.764 3.398 20 30 DGEDRM N#Cc1ccc(Oc2cc(Br)cc(C(=O)[O-])c2)nc1 ZINC000700771090 976971544 /nfs/dbraw/zinc/97/15/44/976971544.db2.gz AYEMFNUABKOWTG-UHFFFAOYSA-N -1 0 319.114 3.206 20 30 DGEDRM C[C@@H](CNc1ccc(C(=O)[O-])nc1C#N)Sc1ccccc1 ZINC001592729691 979244608 /nfs/dbraw/zinc/24/46/08/979244608.db2.gz PCFKDBWKUWJINY-NSHDSACASA-N -1 0 313.382 3.244 20 30 DGEDRM CCC(CC)(CC(=O)[O-])C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC001595047839 979261427 /nfs/dbraw/zinc/26/14/27/979261427.db2.gz LQFYDVBDSCQOTJ-LBPRGKRZSA-N -1 0 303.358 3.444 20 30 DGEDRM CC[C@@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)[O-] ZINC001595318456 980500735 /nfs/dbraw/zinc/50/07/35/980500735.db2.gz LXRMIRUMIMOPJT-QGZVFWFLSA-N -1 0 310.353 3.412 20 30 DGEDRM CCC1CCC(NC(=O)c2cccc(C#N)c2C)(C(=O)[O-])CC1 ZINC001595424677 981042826 /nfs/dbraw/zinc/04/28/26/981042826.db2.gz JNQNJOZSEPWWMQ-UHFFFAOYSA-N -1 0 314.385 3.020 20 30 DGEDRM CC[C@H](C(=O)[O-])N(C(=O)CCCCCC#N)c1ccccc1 ZINC001594767201 981724975 /nfs/dbraw/zinc/72/49/75/981724975.db2.gz DMRQBLSMIOCANI-OAHLLOKOSA-N -1 0 302.374 3.357 20 30 DGEDRM C#C[C@@H](NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)C(C)(C)C ZINC001588373189 983337222 /nfs/dbraw/zinc/33/72/22/983337222.db2.gz BJMYOLYFXXTJSF-CQSZACIVSA-N -1 0 316.401 3.218 20 30 DGEDRM C#C[C@@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC001588374058 983341063 /nfs/dbraw/zinc/34/10/63/983341063.db2.gz NRERIQLKMXRFTQ-UMVBOHGHSA-N -1 0 319.788 3.022 20 30 DGEDRM C#C[C@H](N[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1)C(C)C ZINC001588377976 983360114 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ZINC001588554904 983632291 /nfs/dbraw/zinc/63/22/91/983632291.db2.gz UGHLVEKBTMTYHD-CQSZACIVSA-N -1 0 315.348 3.038 20 30 DGEDRM C=C(C)CCc1noc(-c2cc(C(=O)[O-])nn2-c2ccccc2)n1 ZINC001588561489 983641469 /nfs/dbraw/zinc/64/14/69/983641469.db2.gz FXULMHYCZLNSFR-UHFFFAOYSA-N -1 0 324.340 3.129 20 30 DGEDRM C=C(CC(C)C)C(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001588606368 983697744 /nfs/dbraw/zinc/69/77/44/983697744.db2.gz ZKNOCLJLSQGEIL-OAHLLOKOSA-N -1 0 315.369 3.147 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC001588611942 983701164 /nfs/dbraw/zinc/70/11/64/983701164.db2.gz CJSXIVPUWTVPHE-UHFFFAOYSA-N -1 0 303.402 3.364 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@H](c2ccc(CC)cc2)C1 ZINC001588615110 983710159 /nfs/dbraw/zinc/71/01/59/983710159.db2.gz KLUOGRXHJKHKAB-KRWDZBQOSA-N -1 0 315.413 3.376 20 30 DGEDRM C=C(C)[C@@H](NC(=O)C(=C)CCC(=O)[O-])c1ccc(F)c(F)c1 ZINC001588619579 983717394 /nfs/dbraw/zinc/71/73/94/983717394.db2.gz YSASRVNIXFUGOI-OAHLLOKOSA-N -1 0 309.312 3.119 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DGEDRM C=CCC[C@@H](C(=O)NCc1ccnc(C(=O)[O-])c1)c1ccccc1 ZINC001588777048 984155048 /nfs/dbraw/zinc/15/50/48/984155048.db2.gz SEXSJBACHCXLGQ-MRXNPFEDSA-N -1 0 324.380 3.146 20 30 DGEDRM C=CCC[C@@H](C(=O)Nc1cc(C(=O)[O-])no1)c1ccccc1 ZINC001588777269 984155991 /nfs/dbraw/zinc/15/59/91/984155991.db2.gz YPYUASXSXMWZIB-GFCCVEGCSA-N -1 0 300.314 3.061 20 30 DGEDRM C=CCC[C@@H]1CCCN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001588781824 984168547 /nfs/dbraw/zinc/16/85/47/984168547.db2.gz JEMGSNAOHSCMKK-MRXNPFEDSA-N -1 0 316.401 3.068 20 30 DGEDRM C=CCCC[C@@H](NC(=O)[C@@H](C)c1ccc(Cl)cc1)C(=O)[O-] ZINC001588785365 984180124 /nfs/dbraw/zinc/18/01/24/984180124.db2.gz GAYKAVPNWDGSIV-SMDDNHRTSA-N -1 0 309.793 3.369 20 30 DGEDRM C=CCCC[C@@H](NC(=O)CSCc1cccc(C)c1)C(=O)[O-] ZINC001588788618 984191545 /nfs/dbraw/zinc/19/15/45/984191545.db2.gz IIGUWGKXXUNZHO-OAHLLOKOSA-N -1 0 321.442 3.154 20 30 DGEDRM C=CCCC[C@H](NC(=O)CC(C)(C)c1ccccc1)C(=O)[O-] ZINC001588789537 984199142 /nfs/dbraw/zinc/19/91/42/984199142.db2.gz 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/nfs/dbraw/zinc/27/23/51/332272351.db2.gz XFLSYYSXVKZPFJ-AWEZNQCLSA-N -1 0 304.390 3.028 20 30 DGEDRM C=CCOc1cccc(NC(=O)N[C@](C)(CCC)C(=O)[O-])c1 ZINC000561534084 332460323 /nfs/dbraw/zinc/46/03/23/332460323.db2.gz JQMBFXGJFCKLBS-MRXNPFEDSA-N -1 0 306.362 3.016 20 30 DGEDRM C=CCCC[C@H](C)NC(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-] ZINC000562648346 332613475 /nfs/dbraw/zinc/61/34/75/332613475.db2.gz RSVNNNKAEIUTSJ-LSDHHAIUSA-N -1 0 318.417 3.416 20 30 DGEDRM C=CC[C@H](CC)NC(=O)N[C@](CC)(C(=O)[O-])c1ccccc1 ZINC000570172401 332721011 /nfs/dbraw/zinc/72/10/11/332721011.db2.gz RVPPAIZLXQBEHH-YOEHRIQHSA-N -1 0 304.390 3.030 20 30 DGEDRM C=CC[C@@H](CC)NC(=O)N[C@@](CC)(C(=O)[O-])c1ccccc1 ZINC000570172399 332721041 /nfs/dbraw/zinc/72/10/41/332721041.db2.gz RVPPAIZLXQBEHH-RHSMWYFYSA-N -1 0 304.390 3.030 20 30 DGEDRM COCCCn1nccc1/C=C/C(=O)c1cc(Cl)ccc1[O-] ZINC000282849982 334137725 /nfs/dbraw/zinc/13/77/25/334137725.db2.gz BDUNJOIHQLDOIE-GQCTYLIASA-N -1 0 320.776 3.175 20 30 DGEDRM COc1ccccc1C=CC(=O)[N-]S(=O)(=O)c1cccs1 ZINC000048427113 334286133 /nfs/dbraw/zinc/28/61/33/334286133.db2.gz PBFIOIVPFQGRKU-CMDGGOBGSA-N -1 0 323.395 3.115 20 30 DGEDRM C=CCC(C)(C)CNC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000352535548 336223017 /nfs/dbraw/zinc/22/30/17/336223017.db2.gz SADXLWKZOSLCOI-UHFFFAOYSA-N -1 0 317.364 3.049 20 30 DGEDRM C=CCCC1(C(=O)Nc2cc(-c3n[nH]c(=O)[n-]3)ccc2C)CC1 ZINC000582430304 336975955 /nfs/dbraw/zinc/97/59/55/336975955.db2.gz UHCXMOBNNGYHIO-UHFFFAOYSA-N -1 0 312.373 3.171 20 30 DGEDRM CSc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)ccn1 ZINC000190913352 337291311 /nfs/dbraw/zinc/29/13/11/337291311.db2.gz YILDIYWYKZYDHZ-LBPRGKRZSA-N -1 0 320.377 3.237 20 30 DGEDRM C=CC[C@H](CC)NC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000583796844 337334305 /nfs/dbraw/zinc/33/43/05/337334305.db2.gz DCJKVBQSUALPFO-QWHCGFSZSA-N -1 0 310.781 3.120 20 30 DGEDRM C=CC[C@@H](CC)NC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000583796842 337334357 /nfs/dbraw/zinc/33/43/57/337334357.db2.gz DCJKVBQSUALPFO-CHWSQXEVSA-N -1 0 310.781 3.120 20 30 DGEDRM C=CCC[C@H](NC(=O)Nc1ccc(CSC)cc1)C(=O)[O-] ZINC000515040394 337977491 /nfs/dbraw/zinc/97/74/91/337977491.db2.gz DRDBMFIKWZISHK-ZDUSSCGKSA-N -1 0 308.403 3.091 20 30 DGEDRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000507371253 340218297 /nfs/dbraw/zinc/21/82/97/340218297.db2.gz YQJKJNCOPGTXJS-QZTJIDSGSA-N -1 0 319.360 3.136 20 30 DGEDRM C=C(C)COc1cccc(NC(=O)N[C@H](CCC)C(=O)[O-])c1 ZINC000516886183 340457897 /nfs/dbraw/zinc/45/78/97/340457897.db2.gz XKCIIZZEDKQUCT-CQSZACIVSA-N -1 0 306.362 3.016 20 30 DGEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1-c1ccccc1 ZINC000088474745 340461214 /nfs/dbraw/zinc/46/12/14/340461214.db2.gz SVORWFDHCQAVQJ-AWEZNQCLSA-N -1 0 300.383 3.397 20 30 DGEDRM O=C(C=Cc1ccc(Cl)nc1)[N-]S(=O)(=O)c1ccccc1 ZINC000089492448 340469015 /nfs/dbraw/zinc/46/90/15/340469015.db2.gz ALMVXFNSINGWKD-VQHVLOKHSA-N -1 0 322.773 3.094 20 30 DGEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000026547779 340705634 /nfs/dbraw/zinc/70/56/34/340705634.db2.gz VIACTUIEPJLCSM-UHFFFAOYSA-N -1 0 306.412 3.350 20 30 DGEDRM CC(C)CS(=O)(=O)[N-]C(=O)C=Cc1cn(C)c2ccccc12 ZINC000076910433 341215590 /nfs/dbraw/zinc/21/55/90/341215590.db2.gz ZGJWKYUSLXWOGT-CMDGGOBGSA-N -1 0 320.414 3.134 20 30 DGEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc3nccnc3n2)n1 ZINC000551937402 341355515 /nfs/dbraw/zinc/35/55/15/341355515.db2.gz VXHNXOCBSORMKV-JTQLQIEISA-N -1 0 323.381 3.095 20 30 DGEDRM Cc1noc(C)c1CCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000358700564 534349787 /nfs/dbraw/zinc/34/97/87/534349787.db2.gz YSCBPMHBXGGMEK-UHFFFAOYSA-N -1 0 316.405 3.190 20 30 DGEDRM Cc1cccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)n1 ZINC000358626160 534628449 /nfs/dbraw/zinc/62/84/49/534628449.db2.gz KBIMTCJTXRRTFJ-CYBMUJFWSA-N -1 0 320.377 3.399 20 30 DGEDRM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000169247848 534825872 /nfs/dbraw/zinc/82/58/72/534825872.db2.gz SAZDFJHYLUBFTG-UHFFFAOYSA-N -1 0 306.774 3.321 20 30 DGEDRM C=CCN(CCc1ccco1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339078666 526327371 /nfs/dbraw/zinc/32/73/71/526327371.db2.gz GPJMUQXVWIPKJO-UHFFFAOYSA-N -1 0 302.330 3.124 20 30 DGEDRM C=CCN(Cc1cccs1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000159539934 526375504 /nfs/dbraw/zinc/37/55/04/526375504.db2.gz FBNKMXBBBCPCKV-UHFFFAOYSA-N -1 0 318.354 3.190 20 30 DGEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000331237786 526765898 /nfs/dbraw/zinc/76/58/98/526765898.db2.gz HYHCRTRSGPTWOA-OTYXRUKQSA-N -1 0 313.756 3.471 20 30 DGEDRM C=C(C)[C@H]1OCC[C@@H]1CN=c1nc(-c2ccccc2)[n-]s1 ZINC000435600934 526828200 /nfs/dbraw/zinc/82/82/00/526828200.db2.gz HKVBDJTWPCQSAU-ZIAGYGMSSA-N -1 0 301.415 3.020 20 30 DGEDRM C=CCC(CC=C)C(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1C ZINC000263103707 527029725 /nfs/dbraw/zinc/02/97/25/527029725.db2.gz RFWJSFRJFKFTSV-MRXNPFEDSA-N -1 0 301.386 3.314 20 30 DGEDRM CC(=O)c1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)cs1 ZINC000344642897 527207259 /nfs/dbraw/zinc/20/72/59/527207259.db2.gz WDXZMDIRTKEMLT-LBPRGKRZSA-N -1 0 323.377 3.327 20 30 DGEDRM C=CCCCS(=O)(=O)[N-]c1nc(CC(C)(C)C)cs1 ZINC000427805251 527247947 /nfs/dbraw/zinc/24/79/47/527247947.db2.gz YSMAFVAOIMNPGD-UHFFFAOYSA-N -1 0 302.465 3.440 20 30 DGEDRM C=CCCC[C@@H](C)NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000345030061 527271002 /nfs/dbraw/zinc/27/10/02/527271002.db2.gz VKZFRKVBAORIEQ-GFCCVEGCSA-N -1 0 317.364 3.192 20 30 DGEDRM C=C[C@@H](CC(=O)N1CCC[C@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000262945271 527419938 /nfs/dbraw/zinc/41/99/38/527419938.db2.gz HRKCDOORTHEYFK-KSSFIOAISA-N -1 0 301.386 3.060 20 30 DGEDRM C=CCC[C@@H](NC(=O)C(C)(C)c1cccc(Cl)c1)C(=O)[O-] ZINC000262849365 527437523 /nfs/dbraw/zinc/43/75/23/527437523.db2.gz HQSXXPUYDYRWLQ-CYBMUJFWSA-N -1 0 309.793 3.153 20 30 DGEDRM CC(=Cc1cccc(OC(C)C)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435334986 527500298 /nfs/dbraw/zinc/50/02/98/527500298.db2.gz DOLVVYPGJZPNTO-WQLSENKSSA-N -1 0 309.369 3.298 20 30 DGEDRM CCCSc1nc(=NC(=O)N2C[C@@H]3CCC[C@@H]3C2)s[n-]1 ZINC000330074399 528831955 /nfs/dbraw/zinc/83/19/55/528831955.db2.gz FPEBOGQBQXOZFN-AOOOYVTPSA-N -1 0 312.464 3.318 20 30 DGEDRM COCc1ncsc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000671278836 547782896 /nfs/dbraw/zinc/78/28/96/547782896.db2.gz BLIBBCNCPOWTJX-GFCCVEGCSA-N -1 0 323.377 3.328 20 30 DGEDRM C=CCC[C@@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000676408204 548359169 /nfs/dbraw/zinc/35/91/69/548359169.db2.gz CHEYZYJAKFYQKV-IXDOHACOSA-N -1 0 313.397 3.477 20 30 DGEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccn(C(F)F)n2)n1 ZINC000678922249 548792845 /nfs/dbraw/zinc/79/28/45/548792845.db2.gz NPMJMPPMSOWWAB-MRVPVSSYSA-N -1 0 310.329 3.348 20 30 DGEDRM C=CCOCCNC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000679586777 548923562 /nfs/dbraw/zinc/92/35/62/548923562.db2.gz VALOFNVDXBJJAE-UHFFFAOYSA-N -1 0 305.761 3.131 20 30 DGEDRM C[C@@H]1CC(N=Nc2ccc(Cl)nn2)c2c1c(F)ccc2O ZINC000730541900 574531429 /nfs/dbraw/zinc/53/14/29/574531429.db2.gz UAIJLQUHTGHKKR-SSDOTTSWSA-N -1 0 306.728 3.298 20 30 DGEDRM C#CCOc1cccc(NC(=O)CC2(CC(=O)[O-])CCCC2)c1 ZINC000731040311 574541910 /nfs/dbraw/zinc/54/19/10/574541910.db2.gz RIJPYNZMMWRXJI-UHFFFAOYSA-N -1 0 315.369 3.062 20 30 DGEDRM O=C([O-])c1cccc(NN=Cc2c[nH]c(-c3ccccc3)n2)c1 ZINC000741451218 574547649 /nfs/dbraw/zinc/54/76/49/574547649.db2.gz MSLUCOBKXWINTC-UHFFFAOYSA-N -1 0 306.325 3.221 20 30 DGEDRM COCCNC(=S)[N-]c1ccccc1S[C@H](C)CC#N ZINC000731318790 574546930 /nfs/dbraw/zinc/54/69/30/574546930.db2.gz DEHUOTFERKBGBQ-LLVKDONJSA-N -1 0 309.460 3.014 20 30 DGEDRM CC(C)OC(=O)CC/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000732769356 574582176 /nfs/dbraw/zinc/58/21/76/574582176.db2.gz GYQCVELNGOUDDP-FRKPEAEDSA-N -1 0 304.173 3.460 20 30 DGEDRM O=C([O-])COc1cccc(C=NNc2ccc3ccccc3n2)c1 ZINC000733200999 574607215 /nfs/dbraw/zinc/60/72/15/574607215.db2.gz NJYRDHJXTLCVFV-UHFFFAOYSA-N -1 0 321.336 3.144 20 30 DGEDRM O=C([O-])COc1cccc(C=NNc2ccccc2Cl)c1 ZINC000733200510 574607279 /nfs/dbraw/zinc/60/72/79/574607279.db2.gz FTBFXKWLCDAXMN-UHFFFAOYSA-N -1 0 304.733 3.249 20 30 DGEDRM CCCCCCCCc1nnc([N-]C(=O)c2nonc2C)s1 ZINC000733915056 574643268 /nfs/dbraw/zinc/64/32/68/574643268.db2.gz VEQKFIZXRYSHSY-UHFFFAOYSA-N -1 0 323.422 3.385 20 30 DGEDRM C#CCOc1ccc(C(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000736090174 574731034 /nfs/dbraw/zinc/73/10/34/574731034.db2.gz WOWWPCJKTIAFLR-UHFFFAOYSA-N -1 0 310.309 3.041 20 30 DGEDRM C#Cc1cccc(N(C(=O)c2cccc(C(=O)[O-])c2)C(C)C)c1 ZINC000736090793 574731089 /nfs/dbraw/zinc/73/10/89/574731089.db2.gz KUWRGCCHTDHQOJ-UHFFFAOYSA-N -1 0 307.349 3.421 20 30 DGEDRM C=CCn1c(S[C@@H](CCCC)C(=O)[O-])nnc1-c1ccco1 ZINC000736118962 574731793 /nfs/dbraw/zinc/73/17/93/574731793.db2.gz ZMCOCEJQASDUQJ-LBPRGKRZSA-N -1 0 321.402 3.460 20 30 DGEDRM CC(C)C[C@H](CN=Cc1cc2ccccc2[nH]c1=O)C(=O)[O-] ZINC000736403211 574748050 /nfs/dbraw/zinc/74/80/50/574748050.db2.gz BVBZGRVFXZYPKO-UHPUNMKFSA-N -1 0 300.358 3.106 20 30 DGEDRM CC(C)C[C@@H](C)CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736403195 574748116 /nfs/dbraw/zinc/74/81/16/574748116.db2.gz BKSBOZDDIVYFCN-WBMJQRKESA-N -1 0 303.358 3.299 20 30 DGEDRM CC(C)c1ccc(NC(=O)c2ccc(C#N)cn2)c(C(=O)[O-])c1 ZINC000736515859 574756135 /nfs/dbraw/zinc/75/61/35/574756135.db2.gz VPDCZUQINGSOEZ-UHFFFAOYSA-N -1 0 309.325 3.027 20 30 DGEDRM C[C@H](Cc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736625846 574761535 /nfs/dbraw/zinc/76/15/35/574761535.db2.gz HTWNVDVVIMHULE-CXAGYDPISA-N -1 0 323.348 3.106 20 30 DGEDRM C[C@@H](Cc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736625852 574761716 /nfs/dbraw/zinc/76/17/16/574761716.db2.gz HTWNVDVVIMHULE-SUMWQHHRSA-N -1 0 323.348 3.106 20 30 DGEDRM CC[C@H](CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)C(C)C ZINC000736891868 574809937 /nfs/dbraw/zinc/80/99/37/574809937.db2.gz HNSOLSFCDNTZCV-CJNGLKHVSA-N -1 0 303.358 3.299 20 30 DGEDRM CCCCCCC[C@@H](C)CNC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000736983990 574813600 /nfs/dbraw/zinc/81/36/00/574813600.db2.gz VKNUIOWTPASLAD-HUUCEWRRSA-N -1 0 312.454 3.489 20 30 DGEDRM 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C=CC[C@H](OC(=O)c1cc(C)sc1Br)C(=O)[O-] ZINC001602849811 1193000352 /nfs/dbraw/zinc/00/03/52/1193000352.db2.gz RARTTXPQCJBYOI-QMMMGPOBSA-N -1 0 319.176 3.005 20 30 DGEDRM C=CCC1(C(=O)Nc2nc(COC)c(C(=O)[O-])s2)CCCC1 ZINC001602849391 1193000416 /nfs/dbraw/zinc/00/04/16/1193000416.db2.gz KDEXDYFOKNXDCX-UHFFFAOYSA-N -1 0 324.402 3.063 20 30 DGEDRM C=CCC[C@@H](C(=O)OCc1oncc1C(=O)[O-])c1ccccc1 ZINC001602855922 1193000634 /nfs/dbraw/zinc/00/06/34/1193000634.db2.gz IWCVKIHYPMPJOO-CYBMUJFWSA-N -1 0 315.325 3.166 20 30 DGEDRM C=CCCC[C@@H](NC(=O)/C=C/c1ccc2[nH]ccc2c1)C(=O)[O-] ZINC001602862407 1193000672 /nfs/dbraw/zinc/00/06/72/1193000672.db2.gz DRAAVVHEOBTOKK-MNDMWVCDSA-N -1 0 312.369 3.107 20 30 DGEDRM C=CC[C@@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])cnc2Cl)C1 ZINC001602855726 1193000812 /nfs/dbraw/zinc/00/08/12/1193000812.db2.gz YKHFMZOXYRGWAD-SNVBAGLBSA-N -1 0 323.780 3.253 20 30 DGEDRM C=CC[C@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])cnc2Cl)C1 ZINC001602855725 1193000915 /nfs/dbraw/zinc/00/09/15/1193000915.db2.gz 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C[C@@H]1CCc2c(sc(NC(=O)CC(C)(C)C#N)c2C(=O)[O-])C1 ZINC001573738847 960473978 /nfs/dbraw/zinc/47/39/78/960473978.db2.gz KXUGHRIASNIRRO-SECBINFHSA-N -1 0 320.414 3.449 20 30 DGEDRM Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C(=O)[O-])C2CC2)n1 ZINC001574319251 960814227 /nfs/dbraw/zinc/81/42/27/960814227.db2.gz JRXFQQDOQYPEDO-SNVBAGLBSA-N -1 0 316.304 3.236 20 30 DGEDRM Cn1nccc1C(=O)/C=C/c1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001343772441 962170798 /nfs/dbraw/zinc/17/07/98/962170798.db2.gz VVRWUJSBPMKDDJ-SOFGYWHQSA-N -1 0 322.320 3.274 20 30 DGEDRM CC(C)C[C@H](NC(=O)Nc1ccc(C2CC2)c(C#N)c1)C(=O)[O-] ZINC001588900771 962253979 /nfs/dbraw/zinc/25/39/79/962253979.db2.gz AUCACDQWHLJALJ-HNNXBMFYSA-N -1 0 315.373 3.056 20 30 DGEDRM CC(C)[C@H](NC(=O)Nc1scc(C(C)(C)C)c1C#N)C(=O)[O-] ZINC001588957830 962603973 /nfs/dbraw/zinc/60/39/73/962603973.db2.gz YLPVUGYKLSQSRG-NSHDSACASA-N -1 0 323.418 3.148 20 30 DGEDRM C#Cc1ccc(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001573313643 962735298 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C=CC[C@@H](C(=O)NCc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC001573351678 962981908 /nfs/dbraw/zinc/98/19/08/962981908.db2.gz WQXCEDBVCNVISP-GOSISDBHSA-N -1 0 323.392 3.290 20 30 DGEDRM C=CCCC[C@H](NC(=O)c1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC001573367668 963068248 /nfs/dbraw/zinc/06/82/48/963068248.db2.gz ZKTFLTDNOZQNSR-AWEZNQCLSA-N -1 0 313.353 3.486 20 30 DGEDRM C=CCN(CCc1ccco1)[C@H](C(=O)[O-])c1ccccc1F ZINC001573368048 963072884 /nfs/dbraw/zinc/07/28/84/963072884.db2.gz HDDLBENAWVCAEJ-INIZCTEOSA-N -1 0 303.333 3.275 20 30 DGEDRM C#CCCCCCC(=O)Nc1ccc(OCC)c(F)c1C(=O)[O-] ZINC001588440735 964043558 /nfs/dbraw/zinc/04/35/58/964043558.db2.gz NDXGSSDDHUEQOY-UHFFFAOYSA-N -1 0 321.348 3.445 20 30 DGEDRM C#CCCCCCCOc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001588442891 964059304 /nfs/dbraw/zinc/05/93/04/964059304.db2.gz ZJMXZFAJQXKUGY-UHFFFAOYSA-N -1 0 304.342 3.134 20 30 DGEDRM Cc1cc(F)ccc1N(CC#N)C(=O)c1ccc(C(=O)[O-])cc1 ZINC001605179999 972897750 /nfs/dbraw/zinc/89/77/50/972897750.db2.gz 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973888894 /nfs/dbraw/zinc/88/88/94/973888894.db2.gz BATWTKNBUVTWDN-OAHLLOKOSA-N -1 0 318.735 3.266 20 30 DGEDRM CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001603642011 973996122 /nfs/dbraw/zinc/99/61/22/973996122.db2.gz VVXAEJNYMYDVBU-OAHLLOKOSA-N -1 0 320.389 3.223 20 30 DGEDRM N#Cc1cccnc1Oc1cc(Br)cc(C(=O)[O-])c1 ZINC000700772432 976971412 /nfs/dbraw/zinc/97/14/12/976971412.db2.gz NLFJOGHIEYPNIU-UHFFFAOYSA-N -1 0 319.114 3.206 20 30 DGEDRM CC(C)(CNc1cc(Br)ccc1C#N)CC(=O)[O-] ZINC000720890203 978076633 /nfs/dbraw/zinc/07/66/33/978076633.db2.gz ODKVFUSEVKCDFW-UHFFFAOYSA-N -1 0 311.179 3.234 20 30 DGEDRM C[C@@H](CC1(C#N)CCOCC1)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001592459021 978175864 /nfs/dbraw/zinc/17/58/64/978175864.db2.gz IMTPDMJURDXLNN-KBPBESRZSA-N -1 0 316.401 3.386 20 30 DGEDRM CC[C@H](C)n1nc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1C ZINC001595023645 979116810 /nfs/dbraw/zinc/11/68/10/979116810.db2.gz JXIHZESBQBHWQL-MEDUHNTESA-N -1 0 312.373 3.272 20 30 DGEDRM CC[C@@H](CC#N)NC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001595030676 979170136 /nfs/dbraw/zinc/17/01/36/979170136.db2.gz VWOCBINFCNSICO-ZDUSSCGKSA-N -1 0 322.364 3.474 20 30 DGEDRM CC[C@H](CNC(=O)Nc1scc(C(C)(C)C)c1C#N)C(=O)[O-] ZINC001595153599 979653694 /nfs/dbraw/zinc/65/36/94/979653694.db2.gz BHODMBCWOOGZGJ-SECBINFHSA-N -1 0 323.418 3.150 20 30 DGEDRM C[C@@H](Cc1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1)C(=O)[O-] ZINC001592872054 979727065 /nfs/dbraw/zinc/72/70/65/979727065.db2.gz IHDRJCVFRXOCQD-LBPRGKRZSA-N -1 0 323.352 3.465 20 30 DGEDRM CC[C@@H](OC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC001595351414 980657073 /nfs/dbraw/zinc/65/70/73/980657073.db2.gz CSHHNUOSYADURU-MRXNPFEDSA-N -1 0 324.336 3.322 20 30 DGEDRM CC[C@@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)c2ccccc2O1 ZINC001595488688 981236950 /nfs/dbraw/zinc/23/69/50/981236950.db2.gz QPMGILBQWWOLIY-CQSZACIVSA-N -1 0 322.364 3.434 20 30 DGEDRM CC[C@@H](C(=O)[O-])N(C(=O)c1cscc1C#N)c1ccccc1 ZINC001594771146 981745654 /nfs/dbraw/zinc/74/56/54/981745654.db2.gz PSOMMYACVPZTFG-AWEZNQCLSA-N -1 0 314.366 3.130 20 30 DGEDRM CCCCCCCC(=O)N1CCOc2ccccc2[C@@H]1C(=O)[O-] ZINC001595702105 982261336 /nfs/dbraw/zinc/26/13/36/982261336.db2.gz DCSIZKIQLPWUAH-QGZVFWFLSA-N -1 0 319.401 3.394 20 30 DGEDRM CCCCCCCNC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001595704325 982273207 /nfs/dbraw/zinc/27/32/07/982273207.db2.gz FRIDCOSPCNSYPB-QAPCUYQASA-N -1 0 303.402 3.332 20 30 DGEDRM C#C[C@H](NC(=O)c1ccccc1S[C@H](C)C(=O)[O-])C(C)(C)C ZINC001588376781 983353891 /nfs/dbraw/zinc/35/38/91/983353891.db2.gz GVLCTSYLHAQCCD-RISCZKNCSA-N -1 0 319.426 3.030 20 30 DGEDRM C#C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC001588377768 983359557 /nfs/dbraw/zinc/35/95/57/983359557.db2.gz QNXSPHXAAJJPSO-IRXDYDNUSA-N -1 0 324.767 3.301 20 30 DGEDRM C#C[C@H](NCc1cc(C(=O)[O-])c(C)[nH]1)c1ccc(Cl)cc1F ZINC001588378153 983361656 /nfs/dbraw/zinc/36/16/56/983361656.db2.gz VRDZXUNFOMZJBG-HNNXBMFYSA-N -1 0 320.751 3.278 20 30 DGEDRM C#CC1(NC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)CCCC1 ZINC001588379313 983363519 /nfs/dbraw/zinc/36/35/19/983363519.db2.gz CVPIVAVEVSJZOZ-ZDUSSCGKSA-N -1 0 314.385 3.017 20 30 DGEDRM C#C[C@H]1CCCCN1C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001588381801 983366991 /nfs/dbraw/zinc/36/69/91/983366991.db2.gz AJCABSQUGNVWTG-JTQLQIEISA-N -1 0 324.739 3.197 20 30 DGEDRM C#CC[C@@H]1CCCN(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)C1 ZINC001588435028 983474357 /nfs/dbraw/zinc/47/43/57/983474357.db2.gz ZYTCQWXXNQLXAZ-ZIAGYGMSSA-N -1 0 314.385 3.142 20 30 DGEDRM C#CCN(Cc1cc(C(=O)[O-])co1)[C@@H]1CCCc2ccccc21 ZINC001588469333 983501814 /nfs/dbraw/zinc/50/18/14/983501814.db2.gz FNFHAWXEWNWXCO-GOSISDBHSA-N -1 0 309.365 3.491 20 30 DGEDRM C#CCOc1ccccc1CNc1ccc(C(=O)[O-])c(OC)c1 ZINC001588505161 983549763 /nfs/dbraw/zinc/54/97/63/983549763.db2.gz WVGHOEMGOHHAGF-UHFFFAOYSA-N -1 0 311.337 3.018 20 30 DGEDRM C#CCOc1ccccc1CNc1cccc([C@H](C)C(=O)[O-])c1 ZINC001588505158 983549891 /nfs/dbraw/zinc/54/98/91/983549891.db2.gz WSPDLIGIODSCQQ-AWEZNQCLSA-N -1 0 309.365 3.499 20 30 DGEDRM C#Cc1ccc(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)cn1 ZINC001588516280 983560527 /nfs/dbraw/zinc/56/05/27/983560527.db2.gz FQHMWCPJTYJQCH-UHFFFAOYSA-N -1 0 322.345 3.228 20 30 DGEDRM C#Cc1ccc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)cc1 ZINC001588516701 983561895 /nfs/dbraw/zinc/56/18/95/983561895.db2.gz WLVUNCPVHZNQIC-DLBZAZTESA-N -1 0 305.333 3.108 20 30 DGEDRM C#Cc1ccc(NC(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC001588517461 983564865 /nfs/dbraw/zinc/56/48/65/983564865.db2.gz BNDBVMQQYFEXSZ-ZDUSSCGKSA-N -1 0 314.366 3.067 20 30 DGEDRM C#Cc1ccc(NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)c(Cl)c1 ZINC001588518079 983567683 /nfs/dbraw/zinc/56/76/83/983567683.db2.gz PJOAAWMRHUHNSM-UHFFFAOYSA-N -1 0 316.744 3.217 20 30 DGEDRM C#Cc1cccc(N(C)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001588522179 983569842 /nfs/dbraw/zinc/56/98/42/983569842.db2.gz GMEVQTWGUNTUJA-UHFFFAOYSA-N -1 0 312.300 3.174 20 30 DGEDRM C#Cc1cccc(N(CC)C(=O)c2ccc(/C=C\C(=O)[O-])o2)c1 ZINC001588522341 983570707 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C=C(CCC(=O)[O-])C(=O)N(Cc1ccc(C)c(C)c1)C1CC1 ZINC001588612304 983702524 /nfs/dbraw/zinc/70/25/24/983702524.db2.gz LVLURRLWMJXTNA-UHFFFAOYSA-N -1 0 301.386 3.215 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)N(C)Cc1csc2ccccc12 ZINC001588612342 983702562 /nfs/dbraw/zinc/70/25/62/983702562.db2.gz NVNSKOQSXRDHCA-UHFFFAOYSA-N -1 0 303.383 3.281 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC001588629318 983736341 /nfs/dbraw/zinc/73/63/41/983736341.db2.gz GMMGMEPADXLXPA-UHFFFAOYSA-N -1 0 322.792 3.300 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(C(=O)OCCCC)cc1 ZINC001588629560 983738252 /nfs/dbraw/zinc/73/82/52/983738252.db2.gz MJTWYBNSAKIXFX-UHFFFAOYSA-N -1 0 319.357 3.003 20 30 DGEDRM C=C(CNC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1)c1ccccc1 ZINC001588636457 983754758 /nfs/dbraw/zinc/75/47/58/983754758.db2.gz HMLISYNAMJNCRD-PXNSSMCTSA-N -1 0 321.376 3.075 20 30 DGEDRM C=C[C@@H](C(=O)N1CCc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC001588661649 983787105 /nfs/dbraw/zinc/78/71/05/983787105.db2.gz NJEOTEYPLXGIHP-GOSISDBHSA-N -1 0 321.376 3.239 20 30 DGEDRM C=CC(C)(C)CNC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC001588681227 983839174 /nfs/dbraw/zinc/83/91/74/983839174.db2.gz RIICVGVNLAUFIX-LLVKDONJSA-N -1 0 307.415 3.194 20 30 DGEDRM C=C[C@@](C)(CCOC)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])cc1 ZINC001588682967 983845613 /nfs/dbraw/zinc/84/56/13/983845613.db2.gz SLJDSDCBHLKRRP-SJCJKPOMSA-N -1 0 306.358 3.218 20 30 DGEDRM C=C[C@H](CC)CC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001588691352 983880181 /nfs/dbraw/zinc/88/01/81/983880181.db2.gz YTUCSDINTVHHIR-YMTOWFKASA-N -1 0 313.756 3.323 20 30 DGEDRM C=C[C@H](N[C@H](COCc1ccccc1)c1ccccc1)C(=O)[O-] ZINC001588695744 983901730 /nfs/dbraw/zinc/90/17/30/983901730.db2.gz KVFHARXXOOKQJF-ZWKOTPCHSA-N -1 0 311.381 3.173 20 30 DGEDRM C=C[C@@H](Nc1ccc(OC)c(-c2ccc(OC)cc2)c1)C(=O)[O-] ZINC001588701829 983916811 /nfs/dbraw/zinc/91/68/11/983916811.db2.gz AJYYOVWFYZXCRI-MRXNPFEDSA-N -1 0 313.353 3.422 20 30 DGEDRM C=C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)[O-] ZINC001588702149 983918649 /nfs/dbraw/zinc/91/86/49/983918649.db2.gz KOPXAQZZOYYRJW-QGZVFWFLSA-N -1 0 308.337 3.188 20 30 DGEDRM C=CC1(CC(=O)NCc2cc(C(=O)[O-])c(C)n2C)CCCCC1 ZINC001588719579 983961667 /nfs/dbraw/zinc/96/16/67/983961667.db2.gz WARKWRJENKLOBR-UHFFFAOYSA-N -1 0 318.417 3.175 20 30 DGEDRM C=C[C@H]1CCCCN1C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001588719628 983962355 /nfs/dbraw/zinc/96/23/55/983962355.db2.gz WOYIKLAFJHYWND-JTQLQIEISA-N -1 0 309.753 3.006 20 30 DGEDRM C=CC[C@@H](C(=O)O[C@@H](C)c1nc(C(=O)[O-])co1)c1ccccc1 ZINC001588731605 984009246 /nfs/dbraw/zinc/00/92/46/984009246.db2.gz LETFUCZKKAOCLX-WCQYABFASA-N -1 0 315.325 3.337 20 30 DGEDRM C=CC[C@@H](NC(=O)c1ccccc1CCC(=O)[O-])c1ccncc1 ZINC001588742846 984034687 /nfs/dbraw/zinc/03/46/87/984034687.db2.gz LNTYSTHCIRLTQK-QGZVFWFLSA-N -1 0 324.380 3.146 20 30 DGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(CC(=O)[O-])c1 ZINC001588743666 984038731 /nfs/dbraw/zinc/03/87/31/984038731.db2.gz BLGULBRCXQPXID-SFHVURJKSA-N -1 0 323.392 3.231 20 30 DGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001588743751 984039157 /nfs/dbraw/zinc/03/91/57/984039157.db2.gz CLYJXTIVLJGTGV-YESZJQIVSA-N -1 0 315.413 3.181 20 30 DGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(C(=O)[O-])s1 ZINC001588744811 984045958 /nfs/dbraw/zinc/04/59/58/984045958.db2.gz QYHBKTJSDPMWTR-CYBMUJFWSA-N -1 0 315.394 3.364 20 30 DGEDRM C=CC[C@@H](Sc1nccn1-c1ccc(N(C)C)cc1)C(=O)[O-] ZINC001588758723 984107330 /nfs/dbraw/zinc/10/73/30/984107330.db2.gz IWKLDYPTMDLLAM-CQSZACIVSA-N -1 0 317.414 3.060 20 30 DGEDRM C=CC[C@@H](Sc1nnc(NC2CCCCC2)s1)C(=O)[O-] ZINC001588762432 984116110 /nfs/dbraw/zinc/11/61/10/984116110.db2.gz ILCDGDXHUMLQFB-SNVBAGLBSA-N -1 0 313.448 3.404 20 30 DGEDRM C=CCC1(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])CCCC1 ZINC001588765147 984124941 /nfs/dbraw/zinc/12/49/41/984124941.db2.gz RLILKEDKLSZUTD-HNNXBMFYSA-N -1 0 319.376 3.074 20 30 DGEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001588771037 984137254 /nfs/dbraw/zinc/13/72/54/984137254.db2.gz MSEVLWHFPXFILY-AAEUAGOBSA-N -1 0 303.362 3.036 20 30 DGEDRM C=CCCC(C)(C)CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001588778040 984158771 /nfs/dbraw/zinc/15/87/71/984158771.db2.gz RFHDFQQEKWOIPR-UHFFFAOYSA-N -1 0 307.350 3.401 20 30 DGEDRM C=CCCC[C@@H](C(=O)N[C@H](CCC)C(=O)[O-])c1ccccc1 ZINC001588782897 984175571 /nfs/dbraw/zinc/17/55/71/984175571.db2.gz PLIHLUIZUGTWMA-HZPDHXFCSA-N -1 0 303.402 3.496 20 30 DGEDRM C=CCCC[C@H](NC(=O)/C=C\c1ccnc2ccccc12)C(=O)[O-] ZINC001588790101 984204199 /nfs/dbraw/zinc/20/41/99/984204199.db2.gz QDELFBZNEGKERW-MQNTZWLQSA-N -1 0 324.380 3.174 20 30 DGEDRM C=CCCC[C@H](NC(=O)C1CCc2ccccc2CC1)C(=O)[O-] ZINC001588790184 984204448 /nfs/dbraw/zinc/20/44/48/984204448.db2.gz SASBFHMVIFPWEN-KRWDZBQOSA-N -1 0 315.413 3.107 20 30 DGEDRM C=CCCC[C@@H](NC(=O)C1CCc2ccccc2CC1)C(=O)[O-] ZINC001588790185 984204719 /nfs/dbraw/zinc/20/47/19/984204719.db2.gz SASBFHMVIFPWEN-QGZVFWFLSA-N -1 0 315.413 3.107 20 30 DGEDRM C=CCCC[C@H](NC(=O)c1cc2ccccc2n1CC)C(=O)[O-] ZINC001588792471 984210088 /nfs/dbraw/zinc/21/00/88/984210088.db2.gz IDSQDSLFYJBCAZ-AWEZNQCLSA-N -1 0 314.385 3.201 20 30 DGEDRM C=CCCC[C@H](NC(=O)c1sccc1-n1cccc1)C(=O)[O-] ZINC001588797991 984232997 /nfs/dbraw/zinc/23/29/97/984232997.db2.gz QJKZMBYGEOMWLN-LBPRGKRZSA-N -1 0 318.398 3.078 20 30 DGEDRM C=CCCC[C@@H](NC(=O)c1coc(C2CCCCC2)n1)C(=O)[O-] ZINC001588798194 984234529 /nfs/dbraw/zinc/23/45/29/984234529.db2.gz XDPQUJXZBNQDDV-CYBMUJFWSA-N -1 0 320.389 3.262 20 30 DGEDRM C=CCCCCCNC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001588799686 984241068 /nfs/dbraw/zinc/24/10/68/984241068.db2.gz ALBUSVGYEWFLID-AWEZNQCLSA-N -1 0 310.438 3.265 20 30 DGEDRM C=CCCCCCN(C)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001588799767 984241421 /nfs/dbraw/zinc/24/14/21/984241421.db2.gz GXZQPIHHRAFGPY-UHFFFAOYSA-N -1 0 310.438 3.409 20 30 DGEDRM C=CCCCN(C)C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC001588801272 984244811 /nfs/dbraw/zinc/24/48/11/984244811.db2.gz 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ZINC001588912015 984549862 /nfs/dbraw/zinc/54/98/62/984549862.db2.gz AIMRBYNSFVTIJE-LQKXBSAESA-N -1 0 311.385 3.134 20 30 DGEDRM C=Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC001588920409 984577660 /nfs/dbraw/zinc/57/76/60/984577660.db2.gz YQMRWIPJKGZUQA-INIZCTEOSA-N -1 0 307.305 3.184 20 30 DGEDRM CC#CCCCC(=O)OCc1ccc(C(=O)[O-])c2cccnc12 ZINC001588927004 984595957 /nfs/dbraw/zinc/59/59/57/984595957.db2.gz IHWRLOICNVBPJM-UHFFFAOYSA-N -1 0 311.337 3.170 20 30 DGEDRM CC#CCCCC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001588927134 984597093 /nfs/dbraw/zinc/59/70/93/984597093.db2.gz OJDWOSDBGNLCKY-UHFFFAOYSA-N -1 0 314.385 3.117 20 30 DGEDRM C[C@H](OC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1cccc(C#N)c1 ZINC001599904045 984899797 /nfs/dbraw/zinc/89/97/97/984899797.db2.gz ZGRUZRTXZCFKLV-IOCXFXADSA-N -1 0 311.293 3.167 20 30 DGEDRM C[C@H]1Cc2ccccc2N(C(=O)CCCCCC#N)[C@H]1C(=O)[O-] ZINC001599937755 985417166 /nfs/dbraw/zinc/41/71/66/985417166.db2.gz ZLKHGLRMVMTLEO-SUMWQHHRSA-N -1 0 314.385 3.139 20 30 DGEDRM CC(=O)c1c(F)cccc1OCc1cccc(C(=O)[O-])c1C#N ZINC001589253742 985877574 /nfs/dbraw/zinc/87/75/74/985877574.db2.gz QWHVLRYHRPHBEH-UHFFFAOYSA-N -1 0 313.284 3.177 20 30 DGEDRM Cc1c(C#N)cccc1C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001599973009 986040553 /nfs/dbraw/zinc/04/05/53/986040553.db2.gz DYQJPLQKNBAWMZ-LBPRGKRZSA-N -1 0 308.337 3.307 20 30 DGEDRM Cc1c(C#N)cccc1C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001599973104 986042312 /nfs/dbraw/zinc/04/23/12/986042312.db2.gz IGVJCAGYMXPCNK-UHFFFAOYSA-N -1 0 319.320 3.299 20 30 DGEDRM C[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001589329185 986162254 /nfs/dbraw/zinc/16/22/54/986162254.db2.gz LBMIMRWUAIMHSL-QMMMGPOBSA-N -1 0 312.778 3.005 20 30 DGEDRM Cc1c(C(=O)[O-])cc(C=NNc2cccc3ncccc32)n1C ZINC001599984184 986208146 /nfs/dbraw/zinc/20/81/46/986208146.db2.gz DFHSITKUBASORG-UHFFFAOYSA-N -1 0 308.341 3.026 20 30 DGEDRM CCOc1ccccc1C=NOCc1ccc(C(=O)[O-])cc1F ZINC001597173864 987022564 /nfs/dbraw/zinc/02/25/64/987022564.db2.gz 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CC(C)(C#N)c1ccc(C(=O)OC2CCC(C(=O)[O-])CC2)cc1 ZINC001589558455 987310375 /nfs/dbraw/zinc/31/03/75/987310375.db2.gz QFWRAQTVCUPHGK-UHFFFAOYSA-N -1 0 315.369 3.288 20 30 DGEDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)CC#Cc2ccccc2)cc1 ZINC001589633799 987546818 /nfs/dbraw/zinc/54/68/18/987546818.db2.gz CSZCXJGZSFZWAK-UHFFFAOYSA-N -1 0 321.376 3.429 20 30 DGEDRM CC(C)(C)C[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)C(=O)[O-] ZINC001589750799 988047414 /nfs/dbraw/zinc/04/74/14/988047414.db2.gz CUNYCKUNGXFIKA-CQSZACIVSA-N -1 0 316.401 3.107 20 30 DGEDRM CCc1ccc(NCCCC2(C#N)CCOCC2)c(C(=O)[O-])c1 ZINC001597552379 988280984 /nfs/dbraw/zinc/28/09/84/988280984.db2.gz XGZWHRPCYOUTCN-UHFFFAOYSA-N -1 0 316.401 3.460 20 30 DGEDRM CCc1cccc(C(=O)[O-])c1NC(=O)Cc1cccc(C#N)c1 ZINC001597571384 988351907 /nfs/dbraw/zinc/35/19/07/988351907.db2.gz CZBWAOUUWNTRJF-UHFFFAOYSA-N -1 0 308.337 3.000 20 30 DGEDRM CCc1nc(C#N)cc(Nc2ccc(C(C)(C)C(=O)[O-])cc2)n1 ZINC001597647154 988673392 /nfs/dbraw/zinc/67/33/92/988673392.db2.gz 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432506806 /nfs/dbraw/zinc/50/68/06/432506806.db2.gz NTWBXLKKSSIPSZ-HNNXBMFYSA-N -1 0 303.402 3.062 20 30 DGEDRM C=CCC(CC=C)C(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC000262971725 432510983 /nfs/dbraw/zinc/51/09/83/432510983.db2.gz MTCSQHJNTQGHTD-MRXNPFEDSA-N -1 0 301.386 3.314 20 30 DGEDRM C=CCCC[C@H](C)NC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000263552687 432556684 /nfs/dbraw/zinc/55/66/84/432556684.db2.gz XGCWLBIOAJCPHM-AWEZNQCLSA-N -1 0 319.401 3.241 20 30 DGEDRM C=C[C@@H](CC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)c1ccccc1 ZINC000263058171 432516713 /nfs/dbraw/zinc/51/67/13/432516713.db2.gz GEVMGFXWMINSKN-URLQWDBASA-N -1 0 313.397 3.060 20 30 DGEDRM C=C[C@@H](CC(=O)N[C@@](C)(CC(=O)[O-])C(C)C)c1ccccc1 ZINC000263081635 432518902 /nfs/dbraw/zinc/51/89/02/432518902.db2.gz UWZPAVJLLLYNRK-KSSFIOAISA-N -1 0 303.402 3.352 20 30 DGEDRM C[C@H]1C[C@H](C(=O)[O-])CN(c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000263274973 432530468 /nfs/dbraw/zinc/53/04/68/432530468.db2.gz WMOLTANMTHSKKZ-ONGXEEELSA-N -1 0 312.291 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C[C@H]1CC(N=NCc2cnc3ccccc3c2)CC[C@@H]1C(=O)[O-] ZINC000814876993 627601772 /nfs/dbraw/zinc/60/17/72/627601772.db2.gz MLHCSLKPQGRSMF-LRDDRELGSA-N -1 0 311.385 3.201 20 30 DGEDRM COc1cc(C(C)=NOCC(C)C)ccc1OCCCC(=O)[O-] ZINC000814884427 627602709 /nfs/dbraw/zinc/60/27/09/627602709.db2.gz XKDRRJOBBPPHLU-UHFFFAOYSA-N -1 0 323.389 3.335 20 30 DGEDRM CCC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(Cl)c(N)c1 ZINC000814890759 627603666 /nfs/dbraw/zinc/60/36/66/627603666.db2.gz YERIWRKOLNTANZ-UHFFFAOYSA-N -1 0 318.764 3.242 20 30 DGEDRM CC(CCc1ccc(OCC(=O)[O-])cc1)=NNCCC(C)(C)C ZINC000814902733 627605384 /nfs/dbraw/zinc/60/53/84/627605384.db2.gz ZUANAJMETBKKOG-UHFFFAOYSA-N -1 0 320.433 3.484 20 30 DGEDRM C[C@@H]1C(=NN[C@@H]2CCOC(C)(C)C2)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814907939 627606332 /nfs/dbraw/zinc/60/63/32/627606332.db2.gz DBDNTNZJNQRYER-UPJWGTAASA-N -1 0 310.438 3.047 20 30 DGEDRM C=C(C)CNN=C(C)CCc1ccc(OCCC(=O)[O-])cc1 ZINC000814932857 627610001 /nfs/dbraw/zinc/61/00/01/627610001.db2.gz 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316.401 3.056 20 30 DGEDRM C=CCOCCCC(=O)Oc1cc2ccccc2cc1C(=O)[O-] ZINC000825698419 628787122 /nfs/dbraw/zinc/78/71/22/628787122.db2.gz ICYLFPGECYBCPB-UHFFFAOYSA-N -1 0 314.337 3.426 20 30 DGEDRM CC(=O)Nc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000825898450 628808642 /nfs/dbraw/zinc/80/86/42/628808642.db2.gz YMEADEFAMMXTCX-WCIBSUBMSA-N -1 0 309.321 3.239 20 30 DGEDRM C[C@H](C#N)CN(C)[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000825967717 628816317 /nfs/dbraw/zinc/81/63/17/628816317.db2.gz ZERHBTROYIZJKK-PRHODGIISA-N -1 0 301.173 3.211 20 30 DGEDRM CC(C)c1ccc2c(c1)C(=O)/C(=C\c1ccc(C(=O)[O-])[nH]1)CO2 ZINC000827129833 628925756 /nfs/dbraw/zinc/92/57/56/628925756.db2.gz VYTMGMLOGJGNRH-GHXNOFRVSA-N -1 0 311.337 3.495 20 30 DGEDRM C[C@@H](CC1CCCC1)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827403555 628955596 /nfs/dbraw/zinc/95/55/96/628955596.db2.gz CVOSKFYWWJBRED-BLLLJJGKSA-N -1 0 315.369 3.444 20 30 DGEDRM C[C@@H](Cc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827592457 628974450 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C=C1CCC(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC001558260742 1189113157 /nfs/dbraw/zinc/11/31/57/1189113157.db2.gz QYXRMFXAXKXBNU-UHFFFAOYSA-N -1 0 324.764 3.430 20 30 DGEDRM N#CCc1cccc(S(=O)(=O)[N-]c2c[nH]c3ccccc23)c1 ZINC001561962110 1189468181 /nfs/dbraw/zinc/46/81/81/1189468181.db2.gz RDWOGUDEVIEFEZ-UHFFFAOYSA-N -1 0 311.366 3.035 20 30 DGEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1cccc2ccccc21 ZINC001565659678 1189661986 /nfs/dbraw/zinc/66/19/86/1189661986.db2.gz AQYQTJGHDFPPCW-UHFFFAOYSA-N -1 0 317.348 3.051 20 30 DGEDRM N#C[C@H](NC(=O)c1cc(F)cc(F)c1[O-])c1ccc(Cl)cc1 ZINC001627003945 1194106848 /nfs/dbraw/zinc/10/68/48/1194106848.db2.gz MRKYDUOITFTMKO-ZDUSSCGKSA-N -1 0 322.698 3.318 20 30 DGEDRM C=CC[C@@H](NC(=O)c1cc(F)cc(F)c1[O-])c1ccncc1 ZINC001628149445 1194162950 /nfs/dbraw/zinc/16/29/50/1194162950.db2.gz XVCJRYOPJXGMHH-CQSZACIVSA-N -1 0 304.296 3.113 20 30 DGEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1ccc2sccc2c1 ZINC001629039527 1194210507 /nfs/dbraw/zinc/21/05/07/1194210507.db2.gz 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1194555367 /nfs/dbraw/zinc/55/53/67/1194555367.db2.gz UPDJLYFSKCZUNG-UKRRQHHQSA-N -1 0 314.291 3.050 20 30 DGEDRM C[C@@H](Cn1ccc2ccccc21)C(=O)[N-]Oc1cccc(C#N)c1 ZINC001635511140 1194555952 /nfs/dbraw/zinc/55/59/52/1194555952.db2.gz SPIJMCRHCXEHHU-AWEZNQCLSA-N -1 0 319.364 3.259 20 30 DGEDRM C=CCNc1nnc(SCc2cc([O-])ccc2[N+](=O)[O-])s1 ZINC001640813748 1194828892 /nfs/dbraw/zinc/82/88/92/1194828892.db2.gz KZBLTBRBYPMGAI-UHFFFAOYSA-N -1 0 324.387 3.042 20 30 DGEDRM N#Cc1ccccc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000059244717 1195078177 /nfs/dbraw/zinc/07/81/77/1195078177.db2.gz IOZFKBRIKHPZGX-UHFFFAOYSA-N -1 0 306.774 3.154 20 30 DGEDRM C=C(C)CSc1nc([O-])c(CC)c(=O)n1-c1ccccc1C ZINC001656260086 1196024788 /nfs/dbraw/zinc/02/47/88/1196024788.db2.gz UIZBDECBSUTJOS-UHFFFAOYSA-N -1 0 316.426 3.477 20 30 DGEDRM C=CCCCCCCCNS(=O)(=O)c1cc([O-])cc(F)c1 ZINC001662337488 1196709478 /nfs/dbraw/zinc/70/94/78/1196709478.db2.gz PKIJJFSQNSNHEH-UHFFFAOYSA-N -1 0 315.410 3.336 20 30 DGEDRM 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303.362 3.180 20 30 DGEDRM C=CCCC[C@@H](C(=O)N(CC(=O)[O-])CC1CC1)c1ccccc1 ZINC001602718914 971378298 /nfs/dbraw/zinc/37/82/98/971378298.db2.gz FUWIJDAGBKEEBO-QGZVFWFLSA-N -1 0 315.413 3.450 20 30 DGEDRM C=CCCCNC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001602721990 971384507 /nfs/dbraw/zinc/38/45/07/971384507.db2.gz MSLIFNZXTBDQOZ-UHFFFAOYSA-N -1 0 300.717 3.265 20 30 DGEDRM CC(C)(C)[C@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])c2ccccc21 ZINC001602778410 971511359 /nfs/dbraw/zinc/51/13/59/971511359.db2.gz HIJYYZCKCXZZLG-UGSOOPFHSA-N -1 0 314.385 3.167 20 30 DGEDRM N#Cc1ccc(Br)cc1N1CCCC[C@H]1CC(=O)[O-] ZINC000122899899 949244577 /nfs/dbraw/zinc/24/45/77/949244577.db2.gz ZSBBHYDIRMFFNE-LBPRGKRZSA-N -1 0 323.190 3.154 20 30 DGEDRM CC(C)[C@@H](CNc1cc(Br)ccc1C#N)C(=O)[O-] ZINC000122961159 949247268 /nfs/dbraw/zinc/24/72/68/949247268.db2.gz KBKQVASVKGRSIX-LLVKDONJSA-N -1 0 311.179 3.089 20 30 DGEDRM CCCCCCC[C@H](C)CNC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001589645063 949717447 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O=C([O-])c1csc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1 ZINC001602558832 1192988096 /nfs/dbraw/zinc/98/80/96/1192988096.db2.gz ZBYKXFAPXBHGHV-UTCJRWHESA-N -1 0 303.295 3.251 20 30 DGEDRM O=C([O-])c1csc(C(=O)/C=C2/COc3ccc(F)cc32)c1 ZINC001602557780 1192988157 /nfs/dbraw/zinc/98/81/57/1192988157.db2.gz CGBYMBGUKCLKNE-BAQGIRSFSA-N -1 0 304.298 3.244 20 30 DGEDRM Cn1c(Cl)cnc1C(C#N)=C([O-])c1nc(C(C)(C)C)cs1 ZINC001349703719 1179937529 /nfs/dbraw/zinc/93/75/29/1179937529.db2.gz ZOKMEXFOUFACFQ-MRVPVSSYSA-N -1 0 322.821 3.318 20 30 DGEDRM O=C([O-])c1occc1/C=C1\COc2ccc(Cl)cc2C1=O ZINC001602629105 1192993394 /nfs/dbraw/zinc/99/33/94/1192993394.db2.gz FJTSHHUPMDHZNE-WEVVVXLNSA-N -1 0 304.685 3.290 20 30 DGEDRM C#C[C@@H](NC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)C(C)C ZINC001602674247 1192994004 /nfs/dbraw/zinc/99/40/04/1192994004.db2.gz NSDSGKFQYLNGMI-MRXNPFEDSA-N -1 0 310.353 3.317 20 30 DGEDRM C#CC1(NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CCCC1 ZINC001602676538 1192994127 /nfs/dbraw/zinc/99/41/27/1192994127.db2.gz 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3.279 20 30 DGEDRM C=CC[C@@H](C)Sc1nc2c(c(C)c1-c1nn[nH]n1)CCC2 ZINC001602812230 1192998164 /nfs/dbraw/zinc/99/81/64/1192998164.db2.gz YLYRDWSRWHLNJD-SECBINFHSA-N -1 0 301.419 3.116 20 30 DGEDRM C=C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)[O-] ZINC001602828595 1192998643 /nfs/dbraw/zinc/99/86/43/1192998643.db2.gz LDMVCZVGQVPGEM-LBPRGKRZSA-N -1 0 319.361 3.150 20 30 DGEDRM C=C[C@H]1CCCCN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001602828539 1192998665 /nfs/dbraw/zinc/99/86/65/1192998665.db2.gz JYWXVGNKMGNJNY-VIFPVBQESA-N -1 0 310.300 3.235 20 30 DGEDRM C=CC[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC001602829318 1192999025 /nfs/dbraw/zinc/99/90/25/1192999025.db2.gz KNJRVGOZTKUAJL-ZWKOTPCHSA-N -1 0 323.392 3.158 20 30 DGEDRM C=CC[C@H]1CCN(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC001602854911 1192999993 /nfs/dbraw/zinc/99/99/93/1192999993.db2.gz AZSZELIGNFNOTJ-JTQLQIEISA-N -1 0 308.765 3.468 20 30 DGEDRM C=CC[C@H]1N(C(=O)Nc2cccc(C(=O)[O-])n2)CCCC1(C)C ZINC001602855553 1193000239 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C=CCSCc1ccc(-c2nn[nH]n2)cc1C(F)(F)F ZINC001602871420 1193001334 /nfs/dbraw/zinc/00/13/34/1193001334.db2.gz WFMMBTXGUXZTQT-UHFFFAOYSA-N -1 0 300.309 3.305 20 30 DGEDRM C=CCN(Cc1cc(C(=O)[O-])oc1C)Cc1cccc(C#N)c1 ZINC001602893593 1193001677 /nfs/dbraw/zinc/00/16/77/1193001677.db2.gz GRYUIOJDVLIDAQ-UHFFFAOYSA-N -1 0 310.353 3.346 20 30 DGEDRM C=CCN(Cc1cccs1)C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001602894556 1193001823 /nfs/dbraw/zinc/00/18/23/1193001823.db2.gz KKTDPJLXPVTGHC-UHFFFAOYSA-N -1 0 317.370 3.061 20 30 DGEDRM C=CCNc1nnc(SCCc2ccccc2C(=O)[O-])s1 ZINC001602906483 1193001922 /nfs/dbraw/zinc/00/19/22/1193001922.db2.gz HMRQZCKQRZWYJY-UHFFFAOYSA-N -1 0 321.427 3.169 20 30 DGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)CCC(=C)C ZINC001602925824 1193002523 /nfs/dbraw/zinc/00/25/23/1193002523.db2.gz AYNVJWRZIMFCMF-UHFFFAOYSA-N -1 0 304.342 3.384 20 30 DGEDRM C=CCn1c(S[C@H](C=C)C(=O)[O-])nnc1-c1ccc(C)cc1 ZINC001602937314 1193002748 /nfs/dbraw/zinc/00/27/48/1193002748.db2.gz VIFFUEPPDWGPNX-CYBMUJFWSA-N -1 0 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C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001589079654 955843618 /nfs/dbraw/zinc/84/36/18/955843618.db2.gz VAWXWALTMOYEKU-CYBMUJFWSA-N -1 0 322.364 3.003 20 30 DGEDRM N#CC(C(=O)CCCCC(=O)[O-])c1nc2cc(F)ccc2s1 ZINC001594601647 956137999 /nfs/dbraw/zinc/13/79/99/956137999.db2.gz PDRKOKMRIZETSH-SNVBAGLBSA-N -1 0 320.345 3.257 20 30 DGEDRM N#CC[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001594606637 956185968 /nfs/dbraw/zinc/18/59/68/956185968.db2.gz YISASFPLEAZASG-ZDUSSCGKSA-N -1 0 312.300 3.160 20 30 DGEDRM N#Cc1ccccc1/C=C/C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001594628524 956331859 /nfs/dbraw/zinc/33/18/59/956331859.db2.gz AGDPKQDPQMVAGP-MDZDMXLPSA-N -1 0 307.305 3.013 20 30 DGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001603119072 972200055 /nfs/dbraw/zinc/20/00/55/972200055.db2.gz SFDWONBBDPQOMV-IJLUTSLNSA-N -1 0 318.398 3.130 20 30 DGEDRM Cc1ccc(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)s1 ZINC000008321935 956885039 /nfs/dbraw/zinc/88/50/39/956885039.db2.gz IMCUUPWISAFGEZ-CMDGGOBGSA-N -1 0 302.351 3.416 20 30 DGEDRM C=CCCC(C)(C)NC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001339956870 957914563 /nfs/dbraw/zinc/91/45/63/957914563.db2.gz AFONSTJVVUXDLK-LSDHHAIUSA-N -1 0 316.401 3.344 20 30 DGEDRM C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001340585053 957939855 /nfs/dbraw/zinc/93/98/55/957939855.db2.gz JEOTWBGXDMFUCX-UONOGXRCSA-N -1 0 308.422 3.018 20 30 DGEDRM C=CCC[C@@H]1CCCN1C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001341430723 957992044 /nfs/dbraw/zinc/99/20/44/957992044.db2.gz CBWQNBFNKOBVDZ-LJISPDSOSA-N -1 0 322.449 3.262 20 30 DGEDRM Cc1cc(NC(=O)c2ccc(C#N)c(Cl)c2)ccc1C(=O)[O-] ZINC001594325431 958164968 /nfs/dbraw/zinc/16/49/68/958164968.db2.gz BNGHZIILZXEGOI-UHFFFAOYSA-N -1 0 314.728 3.471 20 30 DGEDRM C=C[C@H](C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC001588450669 958397369 /nfs/dbraw/zinc/39/73/69/958397369.db2.gz YTMCDKAXIQEMFS-QGTPRVQTSA-N -1 0 321.376 3.386 20 30 DGEDRM C=CCC(F)(F)C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001588452674 958425536 /nfs/dbraw/zinc/42/55/36/958425536.db2.gz HFQKLXHGIVVAON-UHFFFAOYSA-N -1 0 323.339 3.302 20 30 DGEDRM C=CC[C@H](C(=O)N1CCC[C@@](CC)(C(=O)[O-])C1)c1ccccc1 ZINC001588452625 958425552 /nfs/dbraw/zinc/42/55/52/958425552.db2.gz PWNRDHWPIULLIN-QFBILLFUSA-N -1 0 315.413 3.450 20 30 DGEDRM C=CC[C@H](C)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001588453528 958439822 /nfs/dbraw/zinc/43/98/22/958439822.db2.gz ZUGXCRSJPOUODR-ZETCQYMHSA-N -1 0 300.717 3.263 20 30 DGEDRM C=CCCC[C@H](C(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001588457775 958453978 /nfs/dbraw/zinc/45/39/78/958453978.db2.gz CTGWIOFHALJCQH-SJORKVTESA-N -1 0 315.413 3.450 20 30 DGEDRM C#CCCCCC(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC001573318064 958461131 /nfs/dbraw/zinc/46/11/31/958461131.db2.gz KZMIREXKYWGPBW-HNNXBMFYSA-N -1 0 313.397 3.250 20 30 DGEDRM C=CCCC[C@H](NC(=O)NC[C@@H](CC)C(=O)[O-])c1ccccc1 ZINC001573328210 958496621 /nfs/dbraw/zinc/49/66/21/958496621.db2.gz 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C=C(C)C[C@H](NC(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)[O-] ZINC001573321454 962758981 /nfs/dbraw/zinc/75/89/81/962758981.db2.gz NJUKVOZPXSLPLK-UTUOFQBUSA-N -1 0 321.339 3.281 20 30 DGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(N(C)CCCC)cc1)C(=O)[O-] ZINC001573322392 962769152 /nfs/dbraw/zinc/76/91/52/962769152.db2.gz XXLSYLBRRARQFH-MRXNPFEDSA-N -1 0 318.417 3.072 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)N1CC(C)(C)c2c1cccc2Cl ZINC001573332748 962842019 /nfs/dbraw/zinc/84/20/19/962842019.db2.gz RHDOBQMQTSFGCD-UHFFFAOYSA-N -1 0 307.777 3.385 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C ZINC001573333285 962855322 /nfs/dbraw/zinc/85/53/22/962855322.db2.gz XUBTVWIGVUUSDO-OAHLLOKOSA-N -1 0 307.365 3.450 20 30 DGEDRM C=CCn1c(S[C@@H](CC)C(=O)[O-])nnc1-c1cccc(C)c1 ZINC001573336458 962857918 /nfs/dbraw/zinc/85/79/18/962857918.db2.gz AUHRCKJZCYPFNK-ZDUSSCGKSA-N -1 0 317.414 3.395 20 30 DGEDRM C=C[C@@H](C(=O)N[C@H](C(=O)[O-])C1CCCCC1)c1ccccc1 ZINC001573344990 962923655 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C=CCCC1(CNC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)CCCC1 ZINC001339948213 969742740 /nfs/dbraw/zinc/74/27/40/969742740.db2.gz UOMSZIYGAXSIJA-GJZGRUSLSA-N -1 0 322.449 3.265 20 30 DGEDRM C[C@H](c1cccc(C#N)c1)N(C)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001603287471 972533272 /nfs/dbraw/zinc/53/32/72/972533272.db2.gz XLZCGRAJZBLCMZ-YPUOHESYSA-N -1 0 324.336 3.082 20 30 DGEDRM Cc1cc(OC(=O)Cc2ccccc2C(=O)[O-])c(C)c(C)c1C#N ZINC001605217084 972966067 /nfs/dbraw/zinc/96/60/67/972966067.db2.gz ZQRZWRMUAOVCEM-UHFFFAOYSA-N -1 0 323.348 3.330 20 30 DGEDRM N#CCc1ccc(CN2CCCc3c(C(=O)[O-])cccc32)cc1 ZINC000398975956 973186692 /nfs/dbraw/zinc/18/66/92/973186692.db2.gz BJFRQZFJYHGSKU-UHFFFAOYSA-N -1 0 306.365 3.404 20 30 DGEDRM Cc1csc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1C#N ZINC001605386422 973356001 /nfs/dbraw/zinc/35/60/01/973356001.db2.gz ZUVBYLHTVWUUIR-LLVKDONJSA-N -1 0 321.402 3.179 20 30 DGEDRM C[C@H]1Cc2c(C#N)c(NC(=O)CCC(=O)[O-])sc2[C@@H](C)C1 ZINC001603476130 973368151 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Cc1cc(F)ccc1C([O-])=C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787075066 624976758 /nfs/dbraw/zinc/97/67/58/624976758.db2.gz UTNGVNOLJKNGJY-KRWDZBQOSA-N -1 0 324.355 3.115 20 30 DGEDRM Cc1c2ccc(F)cc2sc1C([O-])=C(C#N)C(=O)NC(C)C ZINC000805855739 625061162 /nfs/dbraw/zinc/06/11/62/625061162.db2.gz MRDSRMFHDHALLW-GFCCVEGCSA-N -1 0 318.373 3.196 20 30 DGEDRM Cc1cccc(S(=O)(=O)[N-]c2ncsc2C2CC2)c1C#N ZINC000882772234 625812003 /nfs/dbraw/zinc/81/20/03/625812003.db2.gz NGUAGBMMZUITSF-UHFFFAOYSA-N -1 0 319.411 3.001 20 30 DGEDRM Cc1oc(C(C)C)cc1C([O-])=C(C#N)C(=O)NC1CCCCC1 ZINC000796791637 626083822 /nfs/dbraw/zinc/08/38/22/626083822.db2.gz YPPMGAGUAZIUHW-HNNXBMFYSA-N -1 0 316.401 3.483 20 30 DGEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])C=Cc2ccncn2)s1 ZINC000797571441 626153820 /nfs/dbraw/zinc/15/38/20/626153820.db2.gz RMRVMWLMLDPPLR-ITKZLYELSA-N -1 0 312.398 3.120 20 30 DGEDRM C=CCN(CC(=O)[O-])C(=O)N[C@H](C)c1oc2ccccc2c1C ZINC000797710863 626165830 /nfs/dbraw/zinc/16/58/30/626165830.db2.gz 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3.378 20 30 DGEDRM N#Cc1ccc(C(F)(F)F)nc1Nc1cccc(CC(=O)[O-])c1 ZINC001210068784 960605685 /nfs/dbraw/zinc/60/56/85/960605685.db2.gz FCAMAVIAYCRJSG-UHFFFAOYSA-N -1 0 321.258 3.343 20 30 DGEDRM Cn1cc(C(=O)/C=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cn1 ZINC001338653317 961997145 /nfs/dbraw/zinc/99/71/45/961997145.db2.gz JUGNAHZTEKGVSD-SOFGYWHQSA-N -1 0 322.320 3.274 20 30 DGEDRM C=CCCC1(CNC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CCCC1 ZINC001339948215 962090171 /nfs/dbraw/zinc/09/01/71/962090171.db2.gz UOMSZIYGAXSIJA-LSDHHAIUSA-N -1 0 322.449 3.265 20 30 DGEDRM C=C(C)CCC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001345767745 962287336 /nfs/dbraw/zinc/28/73/36/962287336.db2.gz CVWVYXLCXCJTGB-NSHDSACASA-N -1 0 308.403 3.170 20 30 DGEDRM CC(C)Oc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c(Cl)c1 ZINC001588938038 962511395 /nfs/dbraw/zinc/51/13/95/962511395.db2.gz GOAXAYBPPGMMAI-OAHLLOKOSA-N -1 0 324.764 3.070 20 30 DGEDRM C#CCC1(NC(=O)CCc2ccccc2C(=O)[O-])CCCCC1 ZINC001573304010 962684967 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C=C[C@H](C(=O)N[C@@H](C(=O)[O-])C1CCCCC1)c1ccccc1 ZINC001573344993 962923216 /nfs/dbraw/zinc/92/32/16/962923216.db2.gz CSMXQJMDSFTOLH-JKSUJKDBSA-N -1 0 301.386 3.106 20 30 DGEDRM C=C[C@H](CC)CC(=O)Oc1cc(/C=C\C(=O)[O-])ccc1OC ZINC001573347433 962946933 /nfs/dbraw/zinc/94/69/33/962946933.db2.gz KPSSHDFOKMFYFX-ZVTBTPLYSA-N -1 0 304.342 3.301 20 30 DGEDRM C=CCC[C@H](C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])c1ccccc1 ZINC001573352461 962986293 /nfs/dbraw/zinc/98/62/93/962986293.db2.gz CNCJJKOSRBIMAW-YESZJQIVSA-N -1 0 315.413 3.496 20 30 DGEDRM C=CCC1(NC(=O)NCC2(CC(=O)[O-])CCCC2)CCCC1 ZINC001573352525 962988121 /nfs/dbraw/zinc/98/81/21/962988121.db2.gz FDBFLGFXMBBZBE-UHFFFAOYSA-N -1 0 308.422 3.210 20 30 DGEDRM C=CCCC[C@H](NC(=O)C[C@H](C)c1ccc(F)cc1)C(=O)[O-] ZINC001573357363 963015900 /nfs/dbraw/zinc/01/59/00/963015900.db2.gz LWKSZMFLXGTXLJ-WFASDCNBSA-N -1 0 307.365 3.245 20 30 DGEDRM C=CCCC[C@H](NC(=O)Cc1c(C)oc2ccccc21)C(=O)[O-] ZINC001573357755 963020059 /nfs/dbraw/zinc/02/00/59/963020059.db2.gz 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C=CCCO[C@@H](C)C(=O)OCc1c(Cl)cccc1C(=O)[O-] ZINC001588808476 984261640 /nfs/dbraw/zinc/26/16/40/984261640.db2.gz BMIGPLLFJLEHAA-JTQLQIEISA-N -1 0 312.749 3.063 20 30 DGEDRM C=CCCSCCNC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001588814880 984274032 /nfs/dbraw/zinc/27/40/32/984274032.db2.gz WYCDTNWEWIWAPU-UHFFFAOYSA-N -1 0 322.430 3.135 20 30 DGEDRM C=CCN(Cc1occc1C(=O)[O-])Cc1ccc(OC)cc1 ZINC001588832312 984321411 /nfs/dbraw/zinc/32/14/11/984321411.db2.gz BTDIHNYIJAFVCK-UHFFFAOYSA-N -1 0 301.342 3.175 20 30 DGEDRM C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc(C)c(C(=O)[O-])o1 ZINC001588837271 984333705 /nfs/dbraw/zinc/33/37/05/984333705.db2.gz XCJJCQYQVHXTPQ-HNNXBMFYSA-N -1 0 312.325 3.039 20 30 DGEDRM C=CCOc1ccc(OC(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC001588872910 984443153 /nfs/dbraw/zinc/44/31/53/984443153.db2.gz SDHSFMCPWUIYIC-UHFFFAOYSA-N -1 0 312.321 3.477 20 30 DGEDRM C=CCn1c(SCC2(C(=O)[O-])CC2)nnc1-c1cccs1 ZINC001588907436 984539286 /nfs/dbraw/zinc/53/92/86/984539286.db2.gz MXPQMRCMTKKAFP-UHFFFAOYSA-N -1 0 321.427 3.150 20 30 DGEDRM CC#CCCCC(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C ZINC001588926927 984595235 /nfs/dbraw/zinc/59/52/35/984595235.db2.gz COVAIJXCBPJWRI-UHFFFAOYSA-N -1 0 313.353 3.284 20 30 DGEDRM CC(=O)c1ccc(C#N)cc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001589273841 985978358 /nfs/dbraw/zinc/97/83/58/985978358.db2.gz RYNXEDNOAKSONX-CQSZACIVSA-N -1 0 314.385 3.088 20 30 DGEDRM Cc1c(C#N)cccc1C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001599973568 986049774 /nfs/dbraw/zinc/04/97/74/986049774.db2.gz ZPBZQIJANLRKKS-GOSISDBHSA-N -1 0 314.385 3.020 20 30 DGEDRM Cc1c(C#N)cccc1C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001599973569 986050834 /nfs/dbraw/zinc/05/08/34/986050834.db2.gz ZPBZQIJANLRKKS-SFHVURJKSA-N -1 0 314.385 3.020 20 30 DGEDRM CC(=O)c1cccc(C#N)c1OCc1cc(C(=O)[O-])sc1C ZINC001589305210 986068228 /nfs/dbraw/zinc/06/82/28/986068228.db2.gz HDQBOKVJNAZREN-UHFFFAOYSA-N -1 0 315.350 3.408 20 30 DGEDRM CCON(Cc1ccccc1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001596969197 986189714 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20 30 DGEDRM N#Cc1ccc(Cl)c(C(=O)Oc2ccc(C(=O)[O-])cc2)c1 ZINC001601103484 1192919692 /nfs/dbraw/zinc/91/96/92/1192919692.db2.gz RAVJRWOTKRHMFU-UHFFFAOYSA-N -1 0 301.685 3.129 20 30 DGEDRM N#Cc1ccc(Oc2ccc(C(=O)[O-])cc2Br)nc1 ZINC001601110617 1192919695 /nfs/dbraw/zinc/91/96/95/1192919695.db2.gz BGYZESXDEUOJMD-UHFFFAOYSA-N -1 0 319.114 3.206 20 30 DGEDRM N#Cc1cccc2c1CCN2Cc1cc(C(=O)[O-])ccc1Cl ZINC001601124394 1192920055 /nfs/dbraw/zinc/92/00/55/1192920055.db2.gz OOLTVLSMMUQGJV-UHFFFAOYSA-N -1 0 312.756 3.473 20 30 DGEDRM N#Cc1cccc([C@H](OC(=O)CC2CCCCC2)C(=O)[O-])c1 ZINC001601118320 1192920286 /nfs/dbraw/zinc/92/02/86/1192920286.db2.gz WDMGYTLZDISFTK-INIZCTEOSA-N -1 0 301.342 3.198 20 30 DGEDRM N#Cc1cccc(CNc2ccc(F)c(C(=O)[O-])c2F)c1F ZINC001601122607 1192920389 /nfs/dbraw/zinc/92/03/89/1192920389.db2.gz BGGDAUSNXGDRPQ-UHFFFAOYSA-N -1 0 306.243 3.286 20 30 DGEDRM N#Cc1cccc([C@H](N[C@H](C(F)F)C2CCCCC2)C(=O)[O-])c1 ZINC001601118764 1192920482 /nfs/dbraw/zinc/92/04/82/1192920482.db2.gz 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O=C([O-])CCC[C@H]1CCCC(N=Nc2cncc(Cl)n2)C1 ZINC001601980394 1192953924 /nfs/dbraw/zinc/95/39/24/1192953924.db2.gz LOUXOGDMUVCHQT-SNVBAGLBSA-N -1 0 310.785 3.343 20 30 DGEDRM O=C([O-])CCC[C@@H]1CCCC(N=Nc2ncccc2[N+](=O)[O-])C1 ZINC001601980850 1192954223 /nfs/dbraw/zinc/95/42/23/1192954223.db2.gz TYDTVPZMZIWHPS-NSHDSACASA-N -1 0 320.349 3.203 20 30 DGEDRM O=C([O-])CCCCON=Cc1ccc(Br)cc1 ZINC001601989423 1192955119 /nfs/dbraw/zinc/95/51/19/1192955119.db2.gz SMOORGHMUKHFTE-UHFFFAOYSA-N -1 0 300.152 3.055 20 30 DGEDRM C=CC[C@@H](NC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1)C(=O)[O-] ZINC001344552640 1179450591 /nfs/dbraw/zinc/45/05/91/1179450591.db2.gz NDYFHCJLJHXPPS-CYBMUJFWSA-N -1 0 314.385 3.225 20 30 DGEDRM O=C([O-])COc1ccc(C(=O)/C=C/c2nc(Cl)cs2)cc1 ZINC001602080271 1192957367 /nfs/dbraw/zinc/95/73/67/1192957367.db2.gz MPYKVBHNSOZAOG-AATRIKPKSA-N -1 0 323.757 3.156 20 30 DGEDRM CC[C@@H](C)n1nccc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC001344869573 1179488875 /nfs/dbraw/zinc/48/88/75/1179488875.db2.gz 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1192988055 /nfs/dbraw/zinc/98/80/55/1192988055.db2.gz PQZLHFRODQOVHR-SNAWJCMRSA-N -1 0 303.295 3.251 20 30 DGEDRM C#C[C@H](NC(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccccc1 ZINC001602674099 1192993704 /nfs/dbraw/zinc/99/37/04/1192993704.db2.gz LTVOZMZOJURTOZ-KRWDZBQOSA-N -1 0 322.364 3.200 20 30 DGEDRM C#C[C@@H](Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001602678908 1192994545 /nfs/dbraw/zinc/99/45/45/1192994545.db2.gz RQUOMYOATOSOFJ-CYBMUJFWSA-N -1 0 314.272 3.219 20 30 DGEDRM C#CC[C@H](OC(=O)CCc1ccc(C(=O)[O-])cc1)C(C)(C)C ZINC001602698398 1192994675 /nfs/dbraw/zinc/99/46/75/1192994675.db2.gz FWEPFODDCJOZIC-HNNXBMFYSA-N -1 0 302.370 3.299 20 30 DGEDRM C#CCN(CC1CC1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001602719523 1192995026 /nfs/dbraw/zinc/99/50/26/1192995026.db2.gz OUIOOZPEWSRWSP-AWEZNQCLSA-N -1 0 312.196 3.464 20 30 DGEDRM C#CCC1(C(=O)Nc2ccc(C(=O)[O-])cc2OC)CCCCC1 ZINC001602698693 1192995239 /nfs/dbraw/zinc/99/52/39/1192995239.db2.gz RJDFHLKQRGTNRG-UHFFFAOYSA-N -1 0 315.369 3.306 20 30 DGEDRM C#Cc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c(Cl)c1 ZINC001602739104 1192995781 /nfs/dbraw/zinc/99/57/81/1192995781.db2.gz ZRENOYDVKAMOCP-VXGBXAGGSA-N -1 0 305.761 3.151 20 30 DGEDRM C=C(C)C[C@@H](Nc1nc(-c2ccccc2C)ns1)C(=O)[O-] ZINC001602757083 1192996345 /nfs/dbraw/zinc/99/63/45/1192996345.db2.gz FTJIIFLHOBYSIF-GFCCVEGCSA-N -1 0 303.387 3.345 20 30 DGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(N(CC)CCC)cc1)C(=O)[O-] ZINC001602754686 1192996526 /nfs/dbraw/zinc/99/65/26/1192996526.db2.gz RFOKMJVMYSQHJT-MRXNPFEDSA-N -1 0 318.417 3.072 20 30 DGEDRM C=C(CCC(=O)[O-])C(=O)N(C)[C@@H](CC)c1cccc(OC)c1 ZINC001602774718 1192996903 /nfs/dbraw/zinc/99/69/03/1192996903.db2.gz UROLMQZQOLHRFT-HNNXBMFYSA-N -1 0 305.374 3.026 20 30 DGEDRM C=C(C)CCS[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001602760910 1192996923 /nfs/dbraw/zinc/99/69/23/1192996923.db2.gz OLPVXJZBBLXIQF-LLVKDONJSA-N -1 0 311.428 3.251 20 30 DGEDRM C=C(C)Cc1cccc(C(=O)[O-])c1OCc1snnc1C ZINC001602764888 1192996966 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C=C(Cl)CN[C@@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC001602791512 1192998153 /nfs/dbraw/zinc/99/81/53/1192998153.db2.gz SPEUVMSTONYAHH-SNVBAGLBSA-N -1 0 309.671 3.053 20 30 DGEDRM C=CC(C)(C)CCNC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001602807667 1192998262 /nfs/dbraw/zinc/99/82/62/1192998262.db2.gz RFBXUPWYZOWOLE-UHFFFAOYSA-N -1 0 304.390 3.428 20 30 DGEDRM C=C[C@@H](CC)CC(=O)Nc1cc(C(F)(F)F)cnc1C(=O)[O-] ZINC001602817544 1192998572 /nfs/dbraw/zinc/99/85/72/1192998572.db2.gz YRLUYCUENJJYNR-QMMMGPOBSA-N -1 0 316.279 3.339 20 30 DGEDRM C=C[C@@H](Nc1cccc(COc2cccc(F)c2)c1)C(=O)[O-] ZINC001602820543 1192998854 /nfs/dbraw/zinc/99/88/54/1192998854.db2.gz IDSHAZSTWVFOLM-MRXNPFEDSA-N -1 0 301.317 3.456 20 30 DGEDRM C=CC[C@H](C(=O)OCc1ccoc1C(=O)[O-])c1ccccc1 ZINC001602836368 1192999260 /nfs/dbraw/zinc/99/92/60/1192999260.db2.gz OJZOCUKGBNCGGI-AWEZNQCLSA-N -1 0 300.310 3.381 20 30 DGEDRM C=C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)[O-] ZINC001602828594 1192999028 /nfs/dbraw/zinc/99/90/28/1192999028.db2.gz 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C=CC[C@H](CC)NC(=O)c1nn(-c2ccccc2CC)cc1[O-] ZINC001626330696 1194072565 /nfs/dbraw/zinc/07/25/65/1194072565.db2.gz QCDZRKBXJKGBGM-AWEZNQCLSA-N -1 0 313.401 3.225 20 30 DGEDRM C=CCOc1cccc(NC(=O)c2cc(C)cc(C=O)c2[O-])c1 ZINC001631025997 1194315240 /nfs/dbraw/zinc/31/52/40/1194315240.db2.gz GSPQEEYUYJBVHL-UHFFFAOYSA-N -1 0 311.337 3.330 20 30 DGEDRM CC(C)(C(=O)Nc1cc(C#N)ccc1[O-])c1ccc(C#N)cc1 ZINC001631962013 1194363614 /nfs/dbraw/zinc/36/36/14/1194363614.db2.gz DEDDWPJRQUARHQ-UHFFFAOYSA-N -1 0 305.337 3.052 20 30 DGEDRM Cc1occ(C(F)(F)F)c1C(=O)Nc1cc(C#N)ccc1[O-] ZINC001631962847 1194363992 /nfs/dbraw/zinc/36/39/92/1194363992.db2.gz VPGFVZJJMXVLIO-UHFFFAOYSA-N -1 0 310.231 3.436 20 30 DGEDRM Cc1ccc2cccc(NC(=O)c3[n-]c(=O)c(C#N)cc3C)c2n1 ZINC001632406630 1194387300 /nfs/dbraw/zinc/38/73/00/1194387300.db2.gz VDKMOKRHWVNWKH-UHFFFAOYSA-N -1 0 318.336 3.076 20 30 DGEDRM CC(C)Oc1ccc(NC(=O)c2ccc(F)c([O-])c2)cc1C#N ZINC001636640088 1194625532 /nfs/dbraw/zinc/62/55/32/1194625532.db2.gz 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