smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NN(c1ccccc1)c1ccccc1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738129211 945199123 /nfs/dbraw/zinc/19/91/23/945199123.db2.gz QQBCSAWBAHYSIF-UHFFFAOYSA-N 0 0 357.377 2.745 20 50 FFGDRN C=CCCCCCN(C)C(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C ZINC000735408220 944648593 /nfs/dbraw/zinc/64/85/93/944648593.db2.gz IFNCFBSHTPENKD-LFIBNONCSA-N 0 0 367.457 2.625 20 50 FFGDRN COc1ccc(C=C(C#N)C(=O)Nc2ccccc2C)cc1-c1nn[nH]n1 ZINC000737078076 944949273 /nfs/dbraw/zinc/94/92/73/944949273.db2.gz YSTMPXCTZHXBCP-NTEUORMPSA-N 0 0 360.377 2.729 20 50 FFGDRN C[C@H](NC(=O)NNc1cccc(F)c1F)c1ccc(-c2nn[nH]n2)cc1 ZINC000820374983 945438555 /nfs/dbraw/zinc/43/85/55/945438555.db2.gz VBXQADAABCTEND-VIFPVBQESA-N 0 0 359.340 2.532 20 50 FFGDRN C[C@@H](NC(=O)NNc1ccccc1Cl)c1cccc(-c2nn[nH]n2)c1 ZINC000820374909 945438643 /nfs/dbraw/zinc/43/86/43/945438643.db2.gz SXXPXDVSXAQTBC-SNVBAGLBSA-N 0 0 357.805 2.907 20 50 FFGDRN CN(C(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)cc1F)C1CCCCC1 ZINC000821569234 945718426 /nfs/dbraw/zinc/71/84/26/945718426.db2.gz CIZQZXWJBWGOBO-ZROIWOOFSA-N 0 0 354.389 2.704 20 50 FFGDRN Cc1ccc([C@H](C)NC(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1F ZINC000822229124 946007452 /nfs/dbraw/zinc/00/74/52/946007452.db2.gz NAPOMEMKSQNGGJ-NSHDSACASA-N 0 0 355.377 2.702 20 50 FFGDRN N#CC(=Cc1nc2c(s1)CCCC2)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826378999 948171775 /nfs/dbraw/zinc/17/17/75/948171775.db2.gz GUAYIOSFNHSYFX-UKTHLTGXSA-N 0 0 362.418 2.992 20 50 FFGDRN C[C@H]1CCC[N@H+](CCCCNC(=O)NNc2ccc(C(=O)[O-])c(F)c2)C1 ZINC001594383269 999447066 /nfs/dbraw/zinc/44/70/66/999447066.db2.gz MNPXUBYUDPPNRD-ZDUSSCGKSA-N 0 0 366.437 2.662 20 50 FFGDRN CC(C)(C(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1ccc(Cl)cc1 ZINC000824065211 607348663 /nfs/dbraw/zinc/34/86/63/607348663.db2.gz WKBXVQSUWYMJCN-UHFFFAOYSA-N 0 0 356.817 2.941 20 50 FFGDRN C[C@H]1C[C@@H]1c1ccc(CCC(=O)NNc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000824899469 607353950 /nfs/dbraw/zinc/35/39/50/607353950.db2.gz KCLFKSQXUGKIIS-NHYWBVRUSA-N 0 0 352.398 2.659 20 50 FFGDRN COc1cccc([C@@H](C)CC(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826214669 607356630 /nfs/dbraw/zinc/35/66/30/607356630.db2.gz STYLWCVQKAQUFT-LBPRGKRZSA-N 0 0 352.398 2.512 20 50 FFGDRN Cc1ccc(C=C(C#N)C(=O)OCC(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826285798 607359668 /nfs/dbraw/zinc/35/96/68/607359668.db2.gz KANGKRRHGASETR-RQZCQDPDSA-N 0 0 373.372 2.508 20 50 FFGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000826448546 607721890 /nfs/dbraw/zinc/72/18/90/607721890.db2.gz ZFWKOIKKYYXZPR-YLJYHZDGSA-N 0 0 360.421 2.604 20 50 FFGDRN O=C(NNc1c(Cl)cccc1Cl)c1ccc(-c2nn[nH]n2)s1 ZINC000823280609 606932028 /nfs/dbraw/zinc/93/20/28/606932028.db2.gz DCCUXSKSAUBRAQ-UHFFFAOYSA-N 0 0 355.210 2.992 20 50 FFGDRN O=C(Cc1ccc2ccccc2c1)NN=Cc1ccccc1-c1nn[nH]n1 ZINC000826422978 607887087 /nfs/dbraw/zinc/88/70/87/607887087.db2.gz TXTSIBPVTLXHMF-UHFFFAOYSA-N 0 0 356.389 2.713 20 50 FFGDRN N#CC=C(c1ccccc1)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826380627 608071945 /nfs/dbraw/zinc/07/19/45/608071945.db2.gz HYWNXGGNPUELFI-XSORJCKLSA-N 0 0 358.405 2.805 20 50 FFGDRN N#CC=C(c1ccccc1)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826380625 608071971 /nfs/dbraw/zinc/07/19/71/608071971.db2.gz HYWNXGGNPUELFI-MMWCCMKASA-N 0 0 358.405 2.805 20 50 FFGDRN CC[C@@H]1C[C@@H](C)CCC1=NNC(=O)COc1ccccc1-c1nn[nH]n1 ZINC000825182521 608750345 /nfs/dbraw/zinc/75/03/45/608750345.db2.gz KPKOSJZBMABUDJ-QWHCGFSZSA-N 0 0 356.430 2.564 20 50 FFGDRN CN(C)c1c(Cl)cccc1NC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000825875695 608806334 /nfs/dbraw/zinc/80/63/34/608806334.db2.gz VKCYGEMPTXMILI-UHFFFAOYSA-N 0 0 372.820 2.735 20 50 FFGDRN CCOc1cc(C)ccc1NC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000825615985 608806566 /nfs/dbraw/zinc/80/65/66/608806566.db2.gz ROIWZLWGAXBTNM-UHFFFAOYSA-N 0 0 353.386 2.722 20 50 FFGDRN O=C(NN=Cc1cccc(-c2nn[nH]n2)c1)c1c(Cl)cccc1Cl ZINC000738129533 945202965 /nfs/dbraw/zinc/20/29/65/945202965.db2.gz UFBSASNQBCBINE-UHFFFAOYSA-N 0 0 361.192 2.937 20 50 FFGDRN CC(C)(C)c1ccc(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)s1 ZINC000819958081 945318391 /nfs/dbraw/zinc/31/83/91/945318391.db2.gz HRYIMWXACDPWBM-UHFFFAOYSA-N 0 0 354.439 2.990 20 50 FFGDRN CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1cnc2ccsc2c1 ZINC000735449431 944659298 /nfs/dbraw/zinc/65/92/98/944659298.db2.gz XZKJMEYEZCGAEW-UHFFFAOYSA-N 0 0 363.406 2.630 20 50 FFGDRN CC[C@@H](NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1F ZINC000736370973 944809763 /nfs/dbraw/zinc/80/97/63/944809763.db2.gz UTMIYMYWRABWML-OAHLLOKOSA-N 0 0 358.352 2.531 20 50 FFGDRN CCC[C@@H](CC1CCCC1)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736421616 944818654 /nfs/dbraw/zinc/81/86/54/944818654.db2.gz DGSRPWVRQZPJFZ-INIZCTEOSA-N 0 0 370.457 2.624 20 50 FFGDRN CN(NC(=O)CCCCOc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000736842056 944897396 /nfs/dbraw/zinc/89/73/96/944897396.db2.gz MQNULJGIABNMKW-UHFFFAOYSA-N 0 0 366.425 2.583 20 50 FFGDRN Cc1cccc(CC(=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C2CC2)c1 ZINC000737392433 945057384 /nfs/dbraw/zinc/05/73/84/945057384.db2.gz UMCAVLHGKJQIEO-UHFFFAOYSA-N 0 0 360.421 2.914 20 50 FFGDRN CCCCO[C@H]1CC(=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1(C)C ZINC000821071409 945628432 /nfs/dbraw/zinc/62/84/32/945628432.db2.gz DBKRWSDSXJPLMT-HNNXBMFYSA-N 0 0 356.430 2.568 20 50 FFGDRN CCOc1ccccc1NC(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)s1 ZINC000821436606 945696029 /nfs/dbraw/zinc/69/60/29/945696029.db2.gz CXYRCJZQMUSXLT-LUAWRHEFSA-N 0 0 366.406 2.873 20 50 FFGDRN O=C(NN=C1CC(c2ccc(F)cc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000823270077 946369276 /nfs/dbraw/zinc/36/92/76/946369276.db2.gz XUSYGUSAHXXDLA-UHFFFAOYSA-N 0 0 350.357 2.669 20 50 FFGDRN C[N@@H+]1CC[C@H](C(=O)NNc2cccc(C(=O)[O-])c2F)[C@@H]1c1ccccc1 ZINC001598625472 994082512 /nfs/dbraw/zinc/08/25/12/994082512.db2.gz HKGDYORWHVPZNI-YOEHRIQHSA-N 0 0 357.385 2.660 20 50 FFGDRN O=C(COc1cccc2ccccc21)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826418878 607349740 /nfs/dbraw/zinc/34/97/40/607349740.db2.gz ZVPYBQXOLFFIHL-UHFFFAOYSA-N 0 0 360.377 2.542 20 50 FFGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)C1(c2ccc(F)cc2)CCCC1 ZINC000826446411 607355443 /nfs/dbraw/zinc/35/54/43/607355443.db2.gz KIAHFYGYSIRSHF-UHFFFAOYSA-N 0 0 366.400 2.961 20 50 FFGDRN C[C@H](C(=O)NNc1cc[nH+]c2ccccc12)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823701539 603579589 /nfs/dbraw/zinc/57/95/89/603579589.db2.gz FFVQCEVVBIUSNF-UGSOOPFHSA-N 0 0 364.405 2.745 20 50 FFGDRN C[C@@H](C[NH+]1CCCCCC1)C(=O)NN=Cc1cccc2c1N(C(=O)[O-])CC2 ZINC000824906584 603819571 /nfs/dbraw/zinc/81/95/71/603819571.db2.gz DPVUWQLYAWPGCB-HNNXBMFYSA-N 0 0 372.469 2.689 20 50 FFGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)Nc1nc2c(s1)CCCCC2 ZINC000826446499 607672603 /nfs/dbraw/zinc/67/26/03/607672603.db2.gz NZUDVLJICWIFHR-UHFFFAOYSA-N 0 0 370.442 2.741 20 50 FFGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000826448544 607721930 /nfs/dbraw/zinc/72/19/30/607721930.db2.gz ZFWKOIKKYYXZPR-PXNSSMCTSA-N 0 0 360.421 2.604 20 50 FFGDRN Cc1nc(CC(C)C)sc1C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826324736 607730269 /nfs/dbraw/zinc/73/02/69/607730269.db2.gz CSFOAZPWOINNSR-UHFFFAOYSA-N 0 0 357.443 2.587 20 50 FFGDRN Cc1ccc(SCCC(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826293002 607731457 /nfs/dbraw/zinc/73/14/57/607731457.db2.gz WSSWASVPJDFLLU-UHFFFAOYSA-N 0 0 354.439 2.801 20 50 FFGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cc2cc(F)ccc2s1 ZINC000826448792 607732622 /nfs/dbraw/zinc/73/26/22/607732622.db2.gz LZPBUVBJAIYWPP-UHFFFAOYSA-N 0 0 354.370 2.977 20 50 FFGDRN O=C(NNc1cc(Cl)ccc1Cl)c1cc(-c2nn[nH]n2)cs1 ZINC000823281455 606585677 /nfs/dbraw/zinc/58/56/77/606585677.db2.gz SKKLZAMKGQAYJA-UHFFFAOYSA-N 0 0 355.210 2.992 20 50 FFGDRN CC(C)(C)O[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000824119580 607822366 /nfs/dbraw/zinc/82/23/66/607822366.db2.gz LDVZGDVXSFTBOV-MRXNPFEDSA-N 0 0 366.425 2.866 20 50 FFGDRN C[C@H]1CCc2sc(C(=O)NN=Cc3ccccc3-c3nn[nH]n3)cc2C1 ZINC000824967237 607883311 /nfs/dbraw/zinc/88/33/11/607883311.db2.gz IOIFFFOSIRXXBW-NSHDSACASA-N 0 0 366.450 2.817 20 50 FFGDRN O=C(NN=Cc1ccccc1-c1nn[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000826444941 607888937 /nfs/dbraw/zinc/88/89/37/607888937.db2.gz ZZNHNIMSLLYHFG-UHFFFAOYSA-N 0 0 360.299 2.649 20 50 FFGDRN Cc1cc(Cl)cc(C)c1C=NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826267647 607931247 /nfs/dbraw/zinc/93/12/47/607931247.db2.gz OLGCHLBSAGZZIS-UHFFFAOYSA-N 0 0 354.801 2.901 20 50 FFGDRN N#CCOc1cccc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000826382050 608213651 /nfs/dbraw/zinc/21/36/51/608213651.db2.gz MIKGCQAIQFAXID-SXGWCWSVSA-N 0 0 356.345 2.559 20 50 FFGDRN CN(C)c1ccc(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1Cl ZINC000825879357 608811680 /nfs/dbraw/zinc/81/16/80/608811680.db2.gz LCRXCVLSHBLWJA-UHFFFAOYSA-N 0 0 372.820 2.735 20 50 FFGDRN C[C@@H]1CCCC[C@H]1NC(=O)C(C#N)=Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000824939903 608873224 /nfs/dbraw/zinc/87/32/24/608873224.db2.gz XYENUXDLEIIMOD-DXCDOMANSA-N 0 0 354.389 2.608 20 50 FFGDRN O=C(NNc1ccccn1)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000826449112 609263389 /nfs/dbraw/zinc/26/33/89/609263389.db2.gz CBMUTKOJFSHXCT-UHFFFAOYSA-N 0 0 357.377 2.686 20 50 FFGDRN CC[C@H](C)C(=O)C(C#N)=Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825053016 609302256 /nfs/dbraw/zinc/30/22/56/609302256.db2.gz ZLNXPJXSLROWCM-DGGAMASNSA-N 0 0 361.409 2.789 20 50 FFGDRN Cn1cc(C=C(C#N)C(=O)C2CCC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826359902 609303358 /nfs/dbraw/zinc/30/33/58/609303358.db2.gz SHFPRBXMITUIHB-OQLLNIDSSA-N 0 0 359.393 2.543 20 50 FFGDRN CC(=CC(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)C1CC1 ZINC000819764167 945283606 /nfs/dbraw/zinc/28/36/06/945283606.db2.gz GLFAKZFMLUWOBE-SOFGYWHQSA-N 0 0 352.320 2.685 20 50 FFGDRN COc1ccc(C=C(C#N)c2nc3ccccc3n2C)cc1-c1nn[nH]n1 ZINC000737078224 944949176 /nfs/dbraw/zinc/94/91/76/944949176.db2.gz ZGEWGOCIOAUBFH-UKTHLTGXSA-N 0 0 357.377 2.826 20 50 FFGDRN COc1ccc(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)c2ccccc12 ZINC000737081499 944952514 /nfs/dbraw/zinc/95/25/14/944952514.db2.gz OBHGYEHIOUESEJ-UHFFFAOYSA-N 0 0 372.388 2.792 20 50 FFGDRN Cc1c(C=C(C#N)C(=O)N[C@H](C)C2CCCCC2)cc(-c2nn[nH]n2)n1C ZINC000737213408 945000017 /nfs/dbraw/zinc/00/00/17/945000017.db2.gz SAGPBXFLBYXEOI-GFQQVXNGSA-N 0 0 367.457 2.506 20 50 FFGDRN Cc1cccc([C@@H](C)NC(=O)NNc2cccc(-c3nn[nH]n3)c2)c1C ZINC000737389249 945053603 /nfs/dbraw/zinc/05/36/03/945053603.db2.gz NOZXLDZEWKHJPA-CYBMUJFWSA-N 0 0 351.414 2.871 20 50 FFGDRN CCC(CC)(CC)CNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C ZINC000820882131 945581483 /nfs/dbraw/zinc/58/14/83/945581483.db2.gz KMFWWAKRFMTWCS-DHDCSXOGSA-N 0 0 369.473 2.753 20 50 FFGDRN CCO[C@@H]1CC(=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1(CC)CC ZINC000821351521 945679453 /nfs/dbraw/zinc/67/94/53/945679453.db2.gz RXWYDMXZOWBHFZ-OAHLLOKOSA-N 0 0 356.430 2.568 20 50 FFGDRN CCOc1ccc(NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)cs2)cc1 ZINC000821421649 945693302 /nfs/dbraw/zinc/69/33/02/945693302.db2.gz BMSZDLYVRLQNFY-XFFZJAGNSA-N 0 0 366.406 2.873 20 50 FFGDRN C[C@H]1CC(=NNC(=O)c2cccc(-c3nn[nH]n3)c2)c2ccsc2S1 ZINC000822004124 945915248 /nfs/dbraw/zinc/91/52/48/945915248.db2.gz AWGYMCXUPSGFET-VIFPVBQESA-N 0 0 370.463 2.947 20 50 FFGDRN Cc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)o1 ZINC000822226115 946002016 /nfs/dbraw/zinc/00/20/16/946002016.db2.gz DFVAFESSHWNIDO-UHFFFAOYSA-N 0 0 352.276 2.544 20 50 FFGDRN O=C(Cc1cccc(-c2nn[nH]n2)c1)NNc1cc(Cl)ccc1Cl ZINC000823103312 946308534 /nfs/dbraw/zinc/30/85/34/946308534.db2.gz FARGMDVVAPPYQK-UHFFFAOYSA-N 0 0 363.208 2.859 20 50 FFGDRN O=C(Cc1cccc2ccccc21)NN=Cc1cc(-c2nn[nH]n2)cs1 ZINC000823111745 946316885 /nfs/dbraw/zinc/31/68/85/946316885.db2.gz MRHCOLLGXVJRRO-UHFFFAOYSA-N 0 0 362.418 2.774 20 50 FFGDRN O=C(NN=CCCCCOc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823269378 946362742 /nfs/dbraw/zinc/36/27/42/946362742.db2.gz FAZIWCNTFMCBFF-UHFFFAOYSA-N 0 0 364.409 2.832 20 50 FFGDRN CC(C)c1ccc(NNC(=O)NCc2ccc(-c3nn[nH]n3)c(F)c2)cc1 ZINC001574416704 948760247 /nfs/dbraw/zinc/76/02/47/948760247.db2.gz DYBVOEZFBMMWFR-UHFFFAOYSA-N 0 0 369.404 2.956 20 50 FFGDRN COc1ccc([C@H]([NH2+]C(C)C)C(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC001599529278 997619965 /nfs/dbraw/zinc/61/99/65/997619965.db2.gz WQXKTAYGNIAXQS-KRWDZBQOSA-N 0 0 357.410 2.576 20 50 FFGDRN C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001594375459 999416763 /nfs/dbraw/zinc/41/67/63/999416763.db2.gz SYCFEDFSVUCKJH-CYBMUJFWSA-N 0 0 366.437 2.805 20 50 FFGDRN C[C@H]1CCC[N@H+](CCCCNC(=O)NNc2ccc(C(=O)[O-])cc2F)C1 ZINC001594382347 999441517 /nfs/dbraw/zinc/44/15/17/999441517.db2.gz AVXYTYIAJPSGGD-ZDUSSCGKSA-N 0 0 366.437 2.662 20 50 FFGDRN COc1cccc([C@H](C)CC(=O)NNc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826214484 607337481 /nfs/dbraw/zinc/33/74/81/607337481.db2.gz MYWNZJCHHNRPRH-GFCCVEGCSA-N 0 0 352.398 2.512 20 50 FFGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000826446543 607348916 /nfs/dbraw/zinc/34/89/16/607348916.db2.gz PNZQMSWYVAHOQV-HUUCEWRRSA-N 0 0 354.801 2.767 20 50 FFGDRN Cc1cccc(-c2cncc(C(=O)NNc3ccc(-c4nn[nH]n4)cc3)c2)c1 ZINC000826295812 607346735 /nfs/dbraw/zinc/34/67/35/607346735.db2.gz YUXRXDIPAJXILR-UHFFFAOYSA-N 0 0 371.404 2.994 20 50 FFGDRN C[C@@H](CC(=O)NNc1cc[nH+]c2ccccc12)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824680339 604580382 /nfs/dbraw/zinc/58/03/82/604580382.db2.gz UMPPLVOIJFNBMK-UONOGXRCSA-N 0 0 356.426 2.516 20 50 FFGDRN O=C(C=Cc1ccc2ccccc2n1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826401004 607722991 /nfs/dbraw/zinc/72/29/91/607722991.db2.gz MZKUMFSKWGJDOL-KHPPLWFESA-N 0 0 357.377 2.571 20 50 FFGDRN CC(C)c1cccc(O[C@H](C)C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1 ZINC000824739419 607729533 /nfs/dbraw/zinc/72/95/33/607729533.db2.gz WUEQZUKQEYETOI-CYBMUJFWSA-N 0 0 366.425 2.901 20 50 FFGDRN CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C(C#N)=Cc1ccc(F)cc1 ZINC000825958190 608145386 /nfs/dbraw/zinc/14/53/86/608145386.db2.gz NSKUXAVVQYZYDQ-MHWRWJLKSA-N 0 0 362.368 2.571 20 50 FFGDRN C[C@H](C#N)Oc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824034521 608213146 /nfs/dbraw/zinc/21/31/46/608213146.db2.gz LIMLZWUHMOOTJM-LFMVTYOGSA-N 0 0 370.372 2.947 20 50 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946147070 /nfs/dbraw/zinc/14/70/70/946147070.db2.gz ZWKZMPATEVXJIO-UHFFFAOYSA-N 0 0 373.420 2.557 20 50 FFGDRN COc1ccc(NNC(=O)CCc2ccc(-c3nn[nH]n3)cc2)cc1Cl ZINC000826210292 947613712 /nfs/dbraw/zinc/61/37/12/947613712.db2.gz LRRUWPQWSQWUOH-UHFFFAOYSA-N 0 0 372.816 2.605 20 50 FFGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)o1)C(=O)c1ccc(OC(F)F)cc1 ZINC000826379386 948172269 /nfs/dbraw/zinc/17/22/69/948172269.db2.gz QLOBBRIUSCXSCX-JXMROGBWSA-N 0 0 357.276 2.851 20 50 FFGDRN CSCc1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)ccc1F ZINC000826228844 607345369 /nfs/dbraw/zinc/34/53/69/607345369.db2.gz CTOYMFYVLRALHX-UHFFFAOYSA-N 0 0 358.402 2.626 20 50 FFGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc2ccc(Cl)cc2n1 ZINC000826446937 607351121 /nfs/dbraw/zinc/35/11/21/607351121.db2.gz GFSFSLPCXFRRLM-UHFFFAOYSA-N 0 0 365.784 2.825 20 50 FFGDRN C[C@@H]1C[C@H]1c1ccc(CCC(=O)NNc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000824899468 607353894 /nfs/dbraw/zinc/35/38/94/607353894.db2.gz KCLFKSQXUGKIIS-IAQYHMDHSA-N 0 0 352.398 2.659 20 50 FFGDRN Cc1ccc(C=C(C#N)C(=O)OCC(=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826286130 607361261 /nfs/dbraw/zinc/36/12/61/607361261.db2.gz SLWUKLIRYGUAPN-LICLKQGHSA-N 0 0 373.372 2.508 20 50 FFGDRN C[N@H+](CCP(=O)(c1ccccc1)c1ccccc1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828341028 603535071 /nfs/dbraw/zinc/53/50/71/603535071.db2.gz GXXJBPTUBUFNGH-QGZVFWFLSA-N 0 0 372.405 2.685 20 50 FFGDRN Cc1onc(-c2ccccc2)c1C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826342824 607723065 /nfs/dbraw/zinc/72/30/65/607723065.db2.gz BCAYGRPXEBIWBB-UHFFFAOYSA-N 0 0 361.365 2.587 20 50 FFGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cc2ccc(F)cc2s1 ZINC000826448959 607726829 /nfs/dbraw/zinc/72/68/29/607726829.db2.gz VDHHCZMMPBWSSR-UHFFFAOYSA-N 0 0 354.370 2.977 20 50 FFGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)C1(c2cccc(Cl)c2)CC1 ZINC000826447376 607732050 /nfs/dbraw/zinc/73/20/50/607732050.db2.gz BZHAUWKUGNJYQI-UHFFFAOYSA-N 0 0 354.801 2.695 20 50 FFGDRN CC(C)[C@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)[NH+]1CCCCC1 ZINC000833466417 605243875 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FFGDRN Cc1ccc(CNC(=O)C(C#N)=Cc2ccc(F)c(-c3nn[nH]n3)c2)cc1 ZINC000826287925 608880381 /nfs/dbraw/zinc/88/03/81/608880381.db2.gz JMWAHLKYGUIENC-OVCLIPMQSA-N 0 0 362.368 2.538 20 50 FFGDRN N#CC(=Cc1ccc([N+](=O)[O-])cc1F)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379340 609310382 /nfs/dbraw/zinc/31/03/82/609310382.db2.gz PBXVUXQDGWQKOI-MLPAPPSSSA-N 0 0 364.296 2.704 20 50 FFGDRN N#CC(=Cc1ccc([N+](=O)[O-])cc1F)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379339 609310487 /nfs/dbraw/zinc/31/04/87/609310487.db2.gz PBXVUXQDGWQKOI-AWNIVKPZSA-N 0 0 364.296 2.704 20 50 FFGDRN Cc1[nH]c2ccc(F)cc2c1C=NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826233521 609449136 /nfs/dbraw/zinc/44/91/36/609449136.db2.gz LAAWAFFVZDRMJE-UHFFFAOYSA-N 0 0 363.356 2.559 20 50 FFGDRN CC[C@@H]1CCC[C@@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1 ZINC000736396594 944812965 /nfs/dbraw/zinc/81/29/65/944812965.db2.gz NTPUPEBULSXAHP-CJKKJBIBSA-N 0 0 367.457 2.506 20 50 FFGDRN CCO[C@H]1CC(=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C12CCCCC2 ZINC000736618550 944855803 /nfs/dbraw/zinc/85/58/03/944855803.db2.gz VAILXMHEFLILDH-INIZCTEOSA-N 0 0 368.441 2.712 20 50 FFGDRN COc1ccc(C=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1-c1nn[nH]n1 ZINC000737074052 944944421 /nfs/dbraw/zinc/94/44/21/944944421.db2.gz DKEJEHQDZJBUNJ-RKPNYOAGSA-N 0 0 374.404 2.660 20 50 FFGDRN Cc1c(C=C(C#N)C(=O)NCCCCC(C)(C)C)cc(-c2nn[nH]n2)n1C ZINC000737213717 945006242 /nfs/dbraw/zinc/00/62/42/945006242.db2.gz WDDSVRHQBNNGCQ-XNTDXEJSSA-N 0 0 369.473 2.753 20 50 FFGDRN Cc1cc(NNC(=O)c2cccc(-c3nn[nH]n3)c2)ccc1Br ZINC000737280671 945026963 /nfs/dbraw/zinc/02/69/63/945026963.db2.gz OQCMLKRXSRRJMF-UHFFFAOYSA-N 0 0 373.214 2.695 20 50 FFGDRN C[C@@H](CNC(=O)NNc1cccc(-c2nn[nH]n2)c1)c1ccc(F)cc1F ZINC000820270176 945403543 /nfs/dbraw/zinc/40/35/43/945403543.db2.gz XAOJWXJEKIXKKQ-JTQLQIEISA-N 0 0 373.367 2.575 20 50 FFGDRN Cc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)cc1 ZINC000822226167 946003596 /nfs/dbraw/zinc/00/35/96/946003596.db2.gz FXEOTVCSIOISKB-UHFFFAOYSA-N 0 0 362.315 2.951 20 50 FFGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)o1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000822796657 946188078 /nfs/dbraw/zinc/18/80/78/946188078.db2.gz UUYUKBCTGXNURY-VMPITWQZSA-N 0 0 358.720 2.798 20 50 FFGDRN O=C(NN=C1CC2(CCC2)Oc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000823269328 946364066 /nfs/dbraw/zinc/36/40/66/946364066.db2.gz CLGWCUFRZOXXMG-UHFFFAOYSA-N 0 0 374.404 2.706 20 50 FFGDRN CC[C@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1ccc(OC)cc1 ZINC000825039578 947057779 /nfs/dbraw/zinc/05/77/79/947057779.db2.gz UVVHFZKTVFTSBA-INIZCTEOSA-N 0 0 352.398 2.512 20 50 FFGDRN CCOc1cc(Cl)ccc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000825615658 947258612 /nfs/dbraw/zinc/25/86/12/947258612.db2.gz FREYWBGRMAOKHE-UHFFFAOYSA-N 0 0 358.789 2.676 20 50 FFGDRN C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001594225588 998865531 /nfs/dbraw/zinc/86/55/31/998865531.db2.gz HLSFJWZLUXTXSZ-FRRDWIJNSA-N 0 0 366.437 2.516 20 50 FFGDRN Cc1cc(OCC(=O)NNc2cccc(-c3nn[nH]n3)c2)ccc1C(C)C ZINC000826272105 607335467 /nfs/dbraw/zinc/33/54/67/607335467.db2.gz USINDHUAFZWKJC-UHFFFAOYSA-N 0 0 366.425 2.821 20 50 FFGDRN CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NNc1cccc(F)c1 ZINC000824206830 607338301 /nfs/dbraw/zinc/33/83/01/607338301.db2.gz JQTCRMIYEYANFK-INIZCTEOSA-N 0 0 370.388 2.553 20 50 FFGDRN CC[C@H](Oc1ccccc1Cl)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000825159005 607341597 /nfs/dbraw/zinc/34/15/97/607341597.db2.gz GZIQULXPAUXGAR-AWEZNQCLSA-N 0 0 372.816 2.821 20 50 FFGDRN Cc1ccc(SCCC(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826292980 607352620 /nfs/dbraw/zinc/35/26/20/607352620.db2.gz VXWZTIFYXZROES-UHFFFAOYSA-N 0 0 354.439 2.801 20 50 FFGDRN Cc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1-n1cccc1 ZINC000826282019 607354302 /nfs/dbraw/zinc/35/43/02/607354302.db2.gz UPOWCZZBBCMBSN-UHFFFAOYSA-N 0 0 359.393 2.723 20 50 FFGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cncc(-c2ccccc2)c1 ZINC000826447611 607357129 /nfs/dbraw/zinc/35/71/29/607357129.db2.gz NTYRGQWDWGIPGE-UHFFFAOYSA-N 0 0 357.377 2.686 20 50 FFGDRN C[C@@H]1C[N@H+](CCP(=O)(c2ccccc2)c2ccccc2)C[C@H]1C(=O)[O-] ZINC000828448703 601523983 /nfs/dbraw/zinc/52/39/83/601523983.db2.gz FTZBDLKKVMRUHU-VQIMIIECSA-N 0 0 357.390 2.653 20 50 FFGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cccc2c3c([nH]c21)CCCC3 ZINC000826448834 607723652 /nfs/dbraw/zinc/72/36/52/607723652.db2.gz NVQWCYKKELKERV-UHFFFAOYSA-N 0 0 373.420 2.984 20 50 FFGDRN Cc1ccc2c(CC(=O)NNc3cccc(-c4nn[nH]n4)c3)coc2c1C ZINC000826293217 607728320 /nfs/dbraw/zinc/72/83/20/607728320.db2.gz GDXANIIICHWNDA-UHFFFAOYSA-N 0 0 362.393 2.916 20 50 FFGDRN O=C(NNc1ccc(OC(F)(F)F)cc1)c1sccc1-c1nn[nH]n1 ZINC000823280814 606769715 /nfs/dbraw/zinc/76/97/15/606769715.db2.gz GMRAIALKSSXJCC-UHFFFAOYSA-N 0 0 370.316 2.584 20 50 FFGDRN C[C@H](Cc1cccc(Cl)c1)C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000824457422 607908338 /nfs/dbraw/zinc/90/83/38/607908338.db2.gz LZKXGZGXTIQHBC-LLVKDONJSA-N 0 0 356.817 2.842 20 50 FFGDRN CC(=NNC(=O)c1cc2c(s1)CCC2)c1ccc(-c2nn[nH]n2)s1 ZINC000823948162 608092420 /nfs/dbraw/zinc/09/24/20/608092420.db2.gz FGGTZVBUXPYDGS-UHFFFAOYSA-N 0 0 358.452 2.632 20 50 FFGDRN N#CC(=CC1=Cc2ccccc2OC1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379561 608217636 /nfs/dbraw/zinc/21/76/36/608217636.db2.gz VQROFVCJIRTWGM-RQZCQDPDSA-N 0 0 355.357 2.975 20 50 FFGDRN C=CCCC[C@H](C)OC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C ZINC000823894565 608332631 /nfs/dbraw/zinc/33/26/31/608332631.db2.gz UAHBHNAEVTUJRF-DGGAMASNSA-N 0 0 354.414 2.709 20 50 FFGDRN CC1(C)Oc2ccc(NC(=O)NNc3cccc(-c4nn[nH]n4)c3)cc2O1 ZINC000824819249 608808439 /nfs/dbraw/zinc/80/84/39/608808439.db2.gz ZKVPRLFQRPKDHG-UHFFFAOYSA-N 0 0 367.369 2.523 20 50 FFGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)Nc1nc2ccsc2s1 ZINC000826448367 608815838 /nfs/dbraw/zinc/81/58/38/608815838.db2.gz SGOBQQABJFKCKX-UHFFFAOYSA-N 0 0 358.412 2.687 20 50 FFGDRN CC(=O)c1ccc(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1C ZINC000824024592 608815996 /nfs/dbraw/zinc/81/59/96/608815996.db2.gz LBWVYAZOMPMPRB-UHFFFAOYSA-N 0 0 351.370 2.526 20 50 FFGDRN 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COc1ccccc1C[C@H](C)CC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826219993 607725762 /nfs/dbraw/zinc/72/57/62/607725762.db2.gz YHWIVCDJUUWYEY-ZDUSSCGKSA-N 0 0 366.425 2.587 20 50 FFGDRN COc1ccccc1C[C@@H](C)CC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826219992 607726020 /nfs/dbraw/zinc/72/60/20/607726020.db2.gz YHWIVCDJUUWYEY-CYBMUJFWSA-N 0 0 366.425 2.587 20 50 FFGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccnc(Oc2ccccc2)c1 ZINC000826449255 607727399 /nfs/dbraw/zinc/72/73/99/607727399.db2.gz JGBZCUBVHXVFPA-UHFFFAOYSA-N 0 0 373.376 2.811 20 50 FFGDRN CC(C)[C@@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)[NH+]1CCCCC1 ZINC000833466416 605243906 /nfs/dbraw/zinc/24/39/06/605243906.db2.gz YXBVWIPUYOUWKT-HNNXBMFYSA-N 0 0 353.850 2.992 20 50 FFGDRN Cc1ccc(NC(=O)NN=Cc2ccccc2-c2nn[nH]n2)c(Cl)c1 ZINC000826291162 607888818 /nfs/dbraw/zinc/88/88/18/607888818.db2.gz SCQVMCICHNDREF-UHFFFAOYSA-N 0 0 355.789 2.984 20 50 FFGDRN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826295740 607943252 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O=C(NNc1cccc2c1CCCC2)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000826449519 607393549 /nfs/dbraw/zinc/39/35/49/607393549.db2.gz WXAVJVAZCXJWOH-UHFFFAOYSA-N 0 0 369.816 2.551 20 50 FFGDRN O=C(Cc1cccc(-c2nn[nH]n2)c1)NNc1ccc(Cl)cc1Cl ZINC000826423589 607712218 /nfs/dbraw/zinc/71/22/18/607712218.db2.gz WUJOCDUSEZJWPJ-UHFFFAOYSA-N 0 0 363.208 2.859 20 50 FFGDRN CC(C)OCc1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824314419 607718291 /nfs/dbraw/zinc/71/82/91/607718291.db2.gz AAQGSKADDKCWRP-UHFFFAOYSA-N 0 0 352.398 2.549 20 50 FFGDRN O=C(CCc1ccc(-c2ccccc2)[nH]1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826407837 607719195 /nfs/dbraw/zinc/71/91/95/607719195.db2.gz DCEJXRIBCHDBCL-UHFFFAOYSA-N 0 0 373.420 2.938 20 50 FFGDRN CCSc1ccc(CC(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825673791 607756200 /nfs/dbraw/zinc/75/62/00/607756200.db2.gz CCVGJYVZROFPQO-UHFFFAOYSA-N 0 0 354.439 2.665 20 50 FFGDRN CC[NH+](CC)Cc1ccc(C(=O)NN=C(C)C[C@@H]2CCCN2C(=O)[O-])o1 ZINC000827046331 605463737 /nfs/dbraw/zinc/46/37/37/605463737.db2.gz 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ZINC000826216608 608874312 /nfs/dbraw/zinc/87/43/12/608874312.db2.gz GXGAXANMHTZCQQ-KPKJPENVSA-N 0 0 364.340 2.560 20 50 FFGDRN N#CC(=Cc1ccc(F)c(-c2nn[nH]n2)c1)C(=O)Nc1ccccc1F ZINC000826378825 608874685 /nfs/dbraw/zinc/87/46/85/608874685.db2.gz BFKDUJZALDZCMS-XFFZJAGNSA-N 0 0 352.304 2.691 20 50 FFGDRN CC(=NNC(=O)c1cc2c(s1)CCC2)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000823948219 609157244 /nfs/dbraw/zinc/15/72/44/609157244.db2.gz HVSGQYUROOZEDF-UHFFFAOYSA-N 0 0 370.413 2.710 20 50 FFGDRN CNC(=O)NNC(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1 ZINC000106017732 728509319 /nfs/dbraw/zinc/50/93/19/728509319.db2.gz BFXQKXAHYUTQRD-AWEZNQCLSA-N 0 0 351.378 2.758 20 50 FFGDRN O=C(NNc1ccccc1)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000738137970 945249988 /nfs/dbraw/zinc/24/99/88/945249988.db2.gz VVDDFOKCKBHWMH-UHFFFAOYSA-N 0 0 373.376 2.811 20 50 FFGDRN CC(=NNC(=O)COc1ccccc1-c1nn[nH]n1)[C@@H](C)c1ccccc1 ZINC000819773988 945289618 /nfs/dbraw/zinc/28/96/18/945289618.db2.gz ZUMMXCDEJPRNGU-CYBMUJFWSA-N 0 0 364.409 2.541 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ZINC000824969371 607713399 /nfs/dbraw/zinc/71/33/99/607713399.db2.gz SWZNGECXDPCTNT-JTQLQIEISA-N 0 0 354.439 2.810 20 50 FFGDRN CCN(c1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1)C(C)C ZINC000825444293 607720846 /nfs/dbraw/zinc/72/08/46/607720846.db2.gz LHVVQDOPAVHXQA-UHFFFAOYSA-N 0 0 365.441 2.858 20 50 FFGDRN O=C(CCc1ccc(OC(F)F)cc1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826408384 607726290 /nfs/dbraw/zinc/72/62/90/607726290.db2.gz DATUWGULPCRABE-UHFFFAOYSA-N 0 0 374.351 2.544 20 50 FFGDRN Cc1nc(C(C)(C)C)sc1C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826323534 607726442 /nfs/dbraw/zinc/72/64/42/607726442.db2.gz ICXVPYUMGYYINH-UHFFFAOYSA-N 0 0 357.443 2.686 20 50 FFGDRN CC[NH+](CC)Cc1ccc(C(=O)NN=C(C)C[C@H]2CCCN2C(=O)[O-])o1 ZINC000827046332 605463691 /nfs/dbraw/zinc/46/36/91/605463691.db2.gz SGLFLAJKKPAKRO-CQSZACIVSA-N 0 0 364.446 2.760 20 50 FFGDRN O=C([O-])N1CCC[C@H]1[C@@H]1CCC[N@H+](CCCI)C1 ZINC000834107258 605869382 /nfs/dbraw/zinc/86/93/82/605869382.db2.gz LWVXOFMRYNBLQX-NEPJUHHUSA-N 0 0 366.243 2.666 20 50 FFGDRN CCOc1ccc(NC(=O)C(C#N)=Cc2ccccc2-c2nn[nH]n2)cc1 ZINC000825643130 607883500 /nfs/dbraw/zinc/88/35/00/607883500.db2.gz IXRDHPMEEMOBFM-SDNWHVSQSA-N 0 0 360.377 2.811 20 50 FFGDRN O=C(NN=C1CCc2ccc(Cl)cc21)c1cccc(-c2nn[nH]n2)c1 ZINC000826444336 608094891 /nfs/dbraw/zinc/09/48/91/608094891.db2.gz BIMSBTOEYGTHLM-UHFFFAOYSA-N 0 0 352.785 2.600 20 50 FFGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cc(F)c(Cl)cc1F ZINC000826446878 608200702 /nfs/dbraw/zinc/20/07/02/608200702.db2.gz CHWUTNRMUMYLCY-UHFFFAOYSA-N 0 0 350.716 2.555 20 50 FFGDRN O=C(C=Cc1ccccc1-c1nn[nH]n1)NN=c1ccc2ccccc2[nH]1 ZINC000826402364 609262859 /nfs/dbraw/zinc/26/28/59/609262859.db2.gz RULLAMQVSLTBQT-BENRWUELSA-N 0 0 357.377 2.571 20 50 FFGDRN Cn1cc(C=C(C#N)C(=O)C2CCCC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826359834 609372589 /nfs/dbraw/zinc/37/25/89/609372589.db2.gz RKTMBASJGCJWQJ-MHWRWJLKSA-N 0 0 373.420 2.933 20 50 FFGDRN COc1ccc(NC(=O)NNc2ccc(-c3nn[nH]n3)c(Cl)c2)cc1 ZINC000826209492 609496964 /nfs/dbraw/zinc/49/69/64/609496964.db2.gz DWXRIYNCVDYBFU-UHFFFAOYSA-N 0 0 359.777 2.677 20 50 FFGDRN Cc1ccccc1NNC(=O)[C@H](Oc1ccccc1-c1nn[nH]n1)C(C)C ZINC000737437646 945067726 /nfs/dbraw/zinc/06/77/26/945067726.db2.gz YZKOKQUKRPNEGK-QGZVFWFLSA-N 0 0 366.425 2.722 20 50 FFGDRN C=CCC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1 ZINC000735410309 944647224 /nfs/dbraw/zinc/64/72/24/944647224.db2.gz ZBTLCFZEEZBXMJ-UHFFFAOYSA-N 0 0 350.357 2.716 20 50 FFGDRN C[C@H](NC(=O)NNc1cccc(-c2nn[nH]n2)c1)C(C)(C)c1ccccc1 ZINC000736118269 944743649 /nfs/dbraw/zinc/74/36/49/944743649.db2.gz MBHYZUIRWVBVNR-ZDUSSCGKSA-N 0 0 365.441 2.859 20 50 FFGDRN COc1ccc(C=C(C#N)C(=O)Nc2ccc(F)cc2)cc1-c1nn[nH]n1 ZINC000737075903 944947015 /nfs/dbraw/zinc/94/70/15/944947015.db2.gz MCNJKLAFHBMWMJ-XYOKQWHBSA-N 0 0 364.340 2.560 20 50 FFGDRN COc1cccc(C(=O)C(C#N)=Cc2ccc(OC)c(-c3nn[nH]n3)c2)c1 ZINC000737121537 944964157 /nfs/dbraw/zinc/96/41/57/944964157.db2.gz NURZOPNRYXOGCO-RIYZIHGNSA-N 0 0 361.361 2.674 20 50 FFGDRN CCC(CC)c1cc(CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)on1 ZINC000820897675 945583054 /nfs/dbraw/zinc/58/30/54/945583054.db2.gz LILKXQYSKUMIKD-UHFFFAOYSA-N 0 0 370.417 2.585 20 50 FFGDRN CCOc1ccccc1NC(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)s1 ZINC000821436609 945694912 /nfs/dbraw/zinc/69/49/12/945694912.db2.gz CXYRCJZQMUSXLT-PKNBQFBNSA-N 0 0 366.406 2.873 20 50 FFGDRN COc1ccc([C@@H](C)C(C)=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821777878 945862011 /nfs/dbraw/zinc/86/20/11/945862011.db2.gz NIJAMRFJSYXQIB-LBPRGKRZSA-N 0 0 364.409 2.785 20 50 FFGDRN COc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3nn[nH]n3)o2)cc1Cl ZINC000821831901 945877889 /nfs/dbraw/zinc/87/78/89/945877889.db2.gz RONPEUFSVQGKMH-RMKNXTFCSA-N 0 0 370.756 2.667 20 50 FFGDRN C[C@H](NC(=O)NNc1cccc(-c2nn[nH]n2)c1)c1ccc(F)cc1F ZINC000822000387 945915035 /nfs/dbraw/zinc/91/50/35/945915035.db2.gz MLWYCCIIBJEENC-VIFPVBQESA-N 0 0 359.340 2.532 20 50 FFGDRN O=C(Cc1ccc(-c2nn[nH]n2)cc1)NNc1cc(Cl)ccc1Cl ZINC000823078400 946304695 /nfs/dbraw/zinc/30/46/95/946304695.db2.gz LWMXHDHYZOPBHW-UHFFFAOYSA-N 0 0 363.208 2.859 20 50 FFGDRN O=C(Cc1cccc(-c2nn[nH]n2)c1)NNc1c(Cl)cccc1Cl ZINC000823104088 946311458 /nfs/dbraw/zinc/31/14/58/946311458.db2.gz QNGWEYWRESJXMW-UHFFFAOYSA-N 0 0 363.208 2.859 20 50 FFGDRN CCOc1cc(Cl)ccc1C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000825615764 947259567 /nfs/dbraw/zinc/25/95/67/947259567.db2.gz JPAJPZGCNQZCAI-UHFFFAOYSA-N 0 0 358.789 2.676 20 50 FFGDRN COc1ccc(NNC(=O)c2ccc(-c3nn[nH]n3)cc2C)cc1Cl ZINC000826210170 947612760 /nfs/dbraw/zinc/61/27/60/947612760.db2.gz HSBXCLAYVCRCHN-UHFFFAOYSA-N 0 0 358.789 2.594 20 50 FFGDRN C[C@@H](C[NH+]1CCCCC1)C(=O)NN=Cc1cc(C(=O)[O-])ccc1Cl ZINC001592616952 978583119 /nfs/dbraw/zinc/58/31/19/978583119.db2.gz DWAFBEZGXAEDIG-LBPRGKRZSA-N 0 0 351.834 2.610 20 50 FFGDRN C[C@H](C[NH+]1CCCCC1)C(=O)NN=Cc1cc(C(=O)[O-])ccc1Cl ZINC001592616951 978583273 /nfs/dbraw/zinc/58/32/73/978583273.db2.gz DWAFBEZGXAEDIG-GFCCVEGCSA-N 0 0 351.834 2.610 20 50 FFGDRN O=C([O-])CCC[NH+]1CCC(=NNC(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000739672401 978648251 /nfs/dbraw/zinc/64/82/51/978648251.db2.gz FWBJXVCRGURYIY-UHFFFAOYSA-N 0 0 371.359 2.752 20 50 FFGDRN COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC001599529279 997619908 /nfs/dbraw/zinc/61/99/08/997619908.db2.gz WQXKTAYGNIAXQS-QGZVFWFLSA-N 0 0 357.410 2.576 20 50 FFGDRN CC(C)[C@@H](CNC(=O)NNc1cccc(C(=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC001594423610 999582636 /nfs/dbraw/zinc/58/26/36/999582636.db2.gz UZAPAWHAIKRNNP-QGZVFWFLSA-N 0 0 362.474 2.767 20 50 FFGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc(OC2CCCC2)cc1 ZINC000826447087 607341388 /nfs/dbraw/zinc/34/13/88/607341388.db2.gz MDZXLYPMHRBMNS-UHFFFAOYSA-N 0 0 364.409 2.945 20 50 FFGDRN COc1ccc2oc(C)c(C(=O)NNc3ccc(-c4nn[nH]n4)cc3)c2c1 ZINC000826213816 607344096 /nfs/dbraw/zinc/34/40/96/607344096.db2.gz NSVXMOMQZXWBHO-UHFFFAOYSA-N 0 0 364.365 2.687 20 50 FFGDRN C[C@H](CCc1cccc(F)c1)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000824407631 607347936 /nfs/dbraw/zinc/34/79/36/607347936.db2.gz YKXDZGZFPWJDQA-GFCCVEGCSA-N 0 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/nfs/dbraw/zinc/57/36/37/603573637.db2.gz PILMURSMRLYUIK-QGZVFWFLSA-N 0 0 372.405 2.733 20 50 FFGDRN Cc1c2cccc(F)c2oc1C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826234843 607718629 /nfs/dbraw/zinc/71/86/29/607718629.db2.gz QEKCPJUFBHWDKX-UHFFFAOYSA-N 0 0 352.329 2.817 20 50 FFGDRN C[NH+](C)Cc1ccsc1C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833689505 605245984 /nfs/dbraw/zinc/24/59/84/605245984.db2.gz DLZLRHVMHKHFBP-UHFFFAOYSA-N 0 0 353.831 2.918 20 50 FFGDRN C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NNc2cccc(C(=O)[O-])c2)C1 ZINC000833590998 605741470 /nfs/dbraw/zinc/74/14/70/605741470.db2.gz JZNXERIHGNCPJE-HUUCEWRRSA-N 0 0 362.474 2.769 20 50 FFGDRN O=C(NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)[C@H]1CC12CCCC2 ZINC000823280597 606158956 /nfs/dbraw/zinc/15/89/56/606158956.db2.gz CQZPXXOEIYGZLZ-GFCCVEGCSA-N 0 0 366.347 2.909 20 50 FFGDRN Cc1cccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1Br ZINC000826296002 607943255 /nfs/dbraw/zinc/94/32/55/607943255.db2.gz GLCHFLORDCMHSV-UHFFFAOYSA-N 0 0 373.214 2.695 20 50 FFGDRN CC(=NNC(=O)c1c[nH]c2ccccc21)c1ccc(-c2nn[nH]n2)s1 ZINC000823948297 608091350 /nfs/dbraw/zinc/09/13/50/608091350.db2.gz JPJDSJDNNVFZRC-UHFFFAOYSA-N 0 0 351.395 2.564 20 50 FFGDRN CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C(C#N)=Cc1ccc(F)cc1 ZINC000825972018 608145443 /nfs/dbraw/zinc/14/54/43/608145443.db2.gz RQPKPJMTRKTFLK-CXUHLZMHSA-N 0 0 362.368 2.571 20 50 FFGDRN CCOc1cc(F)ccc1NC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000825616206 608806361 /nfs/dbraw/zinc/80/63/61/608806361.db2.gz ZXPBYEBWNHOBPI-UHFFFAOYSA-N 0 0 357.349 2.553 20 50 FFGDRN CCOC(=O)c1csc(C(C#N)=Cc2ccc(F)c(-c3nn[nH]n3)c2)n1 ZINC000825571161 608875832 /nfs/dbraw/zinc/87/58/32/608875832.db2.gz URLMTXMZDFXYMD-YHYXMXQVSA-N 0 0 370.369 2.703 20 50 FFGDRN N#CC(=Cc1ccc(F)c(-c2nn[nH]n2)c1)C(=O)c1ccc2c(c1)OCO2 ZINC000826379576 608877392 /nfs/dbraw/zinc/87/73/92/608877392.db2.gz VYDQENWKZKRECX-LFYBBSHMSA-N 0 0 363.308 2.524 20 50 FFGDRN CC(C)(C)c1ccc(NNC(=O)Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824136626 609176882 /nfs/dbraw/zinc/17/68/82/609176882.db2.gz RZMPLLKFURDLBQ-UHFFFAOYSA-N 0 0 350.426 2.850 20 50 FFGDRN Cc1cccc(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)c1OC(F)F ZINC000826297730 609304090 /nfs/dbraw/zinc/30/40/90/609304090.db2.gz QAMBOUFLXTYQTL-UHFFFAOYSA-N 0 0 372.335 2.540 20 50 FFGDRN