smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cc(C(C)C)n[nH]1 ZINC000278550367 214230578 /nfs/dbraw/zinc/23/05/78/214230578.db2.gz ZAELFCRZAHEUJY-UHFFFAOYSA-N -1 1 323.418 2.959 20 0 DFADMM O=C(c1cc(F)ccc1[O-])N1CCO[C@@H](c2ccccc2F)C1 ZINC000081958718 192344905 /nfs/dbraw/zinc/34/49/05/192344905.db2.gz UMKXLDHQWYFPMS-MRXNPFEDSA-N -1 1 319.307 2.884 20 0 DFADMM Cc1ccccc1NC(=O)CN1CCCC[C@@H]1CCC(=O)[O-] ZINC000314930077 231136036 /nfs/dbraw/zinc/13/60/36/231136036.db2.gz RIIPADQVZKPJIZ-CQSZACIVSA-N -1 1 304.390 2.653 20 0 DFADMM [O-]c1cccc(CNc2ccccc2-n2cnnn2)c1Cl ZINC000328245457 231227939 /nfs/dbraw/zinc/22/79/39/231227939.db2.gz RSDUTNFDYWAXEP-UHFFFAOYSA-N -1 1 301.737 2.633 20 0 DFADMM COc1ccc(Br)c(CN(C)C[C@H](C)C(=O)[O-])c1 ZINC000087790196 185232128 /nfs/dbraw/zinc/23/21/28/185232128.db2.gz AWAANXHWXHHICK-VIFPVBQESA-N -1 1 316.195 2.610 20 0 DFADMM Cc1ccc(F)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000066290262 398367109 /nfs/dbraw/zinc/36/71/09/398367109.db2.gz WYQWBOQKMJZKJO-UHFFFAOYSA-N -1 1 323.345 2.942 20 0 DFADMM COC(=O)c1c[n-]c(SCc2c(C)cc(C)nc2OC)n1 ZINC000286597633 219072994 /nfs/dbraw/zinc/07/29/94/219072994.db2.gz SPAICMGBRVZVKS-UHFFFAOYSA-N -1 1 307.375 2.509 20 0 DFADMM COc1cccc(C(=O)NCc2n[n-]c(=S)n2C(C)C)c1F ZINC000090565184 185303878 /nfs/dbraw/zinc/30/38/78/185303878.db2.gz OFTQVQLERUCJCY-UHFFFAOYSA-N -1 1 324.381 2.599 20 0 DFADMM CC(C)c1cc(NC(=O)NCc2n[n-]c(=S)n2C(C)C)no1 ZINC000085613678 398415917 /nfs/dbraw/zinc/41/59/17/398415917.db2.gz ZATAWRBYIVKWDH-UHFFFAOYSA-N -1 1 324.410 2.955 20 0 DFADMM CN(Cc1cccnc1)C(=O)c1cc(Br)ccc1[O-] ZINC000048411143 282383927 /nfs/dbraw/zinc/38/39/27/282383927.db2.gz KCOJMRIIWDLOGT-UHFFFAOYSA-N -1 1 321.174 2.822 20 0 DFADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1F ZINC000068074964 398477406 /nfs/dbraw/zinc/47/74/06/398477406.db2.gz XUCSQSKSYZNKHN-UHFFFAOYSA-N -1 1 307.346 2.965 20 0 DFADMM CCc1cccc2c(CCNC(=O)c3cncc([O-])c3)c[nH]c21 ZINC000111646659 185621024 /nfs/dbraw/zinc/62/10/24/185621024.db2.gz LLCKXCGAJFLSNY-UHFFFAOYSA-N -1 1 309.369 2.803 20 0 DFADMM COc1cc(CNC(=O)c2ccc3ccccc3c2[O-])ccn1 ZINC000128095258 282968148 /nfs/dbraw/zinc/96/81/48/282968148.db2.gz OXMBHRLPZASLPD-UHFFFAOYSA-N -1 1 308.337 2.879 20 0 DFADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cnn(C(C)(C)C)c2)c1 ZINC000068466706 398505457 /nfs/dbraw/zinc/50/54/57/398505457.db2.gz SEFGXUMHXOHUKU-UHFFFAOYSA-N -1 1 316.361 2.554 20 0 DFADMM CCN(CCSC)C(=O)c1ccc(Br)c([O-])c1 ZINC000592918742 398508254 /nfs/dbraw/zinc/50/82/54/398508254.db2.gz UCQPEOUYJPNYPM-UHFFFAOYSA-N -1 1 318.236 2.980 20 0 DFADMM CCN(CCSC)C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000592923890 398509213 /nfs/dbraw/zinc/50/92/13/398509213.db2.gz WPHNJPGZHJOKEX-UHFFFAOYSA-N -1 1 311.451 2.613 20 0 DFADMM CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1ccc([O-])cc1F ZINC000286828260 219185852 /nfs/dbraw/zinc/18/58/52/219185852.db2.gz WXUMPMSUOZWDTQ-UHFFFAOYSA-N -1 1 320.364 2.718 20 0 DFADMM C[C@@H](c1ccccn1)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000068369845 282488083 /nfs/dbraw/zinc/48/80/83/282488083.db2.gz KDDFGCMPXGFIOZ-NSHDSACASA-N -1 1 308.341 2.564 20 0 DFADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000315460491 398526389 /nfs/dbraw/zinc/52/63/89/398526389.db2.gz SWXNGJWBAYMKMC-UHFFFAOYSA-N -1 1 319.382 2.511 20 0 DFADMM O=C(NCCc1nc2ccccc2[nH]1)c1ccc(Cl)cc1[O-] ZINC000072904237 282518173 /nfs/dbraw/zinc/51/81/73/282518173.db2.gz RYCHKDXZCYCQOW-UHFFFAOYSA-N -1 1 315.760 2.894 20 0 DFADMM CCC[C@@H](CC)S(=O)(=O)[N-]c1cnn(C)c1C(F)(F)F ZINC000567276606 302346816 /nfs/dbraw/zinc/34/68/16/302346816.db2.gz OYPHPPJJYAMVPH-MRVPVSSYSA-N -1 1 313.345 2.759 20 0 DFADMM CN(C)c1ncccc1CNC(=O)c1cc2ccccc2cc1[O-] ZINC000032686788 398535874 /nfs/dbraw/zinc/53/58/74/398535874.db2.gz VMPYYKJIFFBQAZ-UHFFFAOYSA-N -1 1 321.380 2.936 20 0 DFADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccncc3)cc(Cl)c2O1 ZINC000077887988 282585167 /nfs/dbraw/zinc/58/51/67/282585167.db2.gz FAQHKWOAJYCAQB-VIFPVBQESA-N -1 1 324.789 2.859 20 0 DFADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCCC[C@H]1CCO ZINC000182014206 199374085 /nfs/dbraw/zinc/37/40/85/199374085.db2.gz WNBFTWVMPSUUJF-NSHDSACASA-N -1 1 317.307 2.788 20 0 DFADMM CCc1ccc([C@@H](C)C(=O)Nc2nc(-c3ccco3)n[n-]2)cc1 ZINC000069374697 398568451 /nfs/dbraw/zinc/56/84/51/398568451.db2.gz AQLOXWKHMKOGDP-LLVKDONJSA-N -1 1 310.357 2.791 20 0 DFADMM C[C@@H](CC(=O)/N=c1/ccnc2n(C)[n-]cc1-2)C1CCCCC1 ZINC000279905629 215223772 /nfs/dbraw/zinc/22/37/72/215223772.db2.gz VBWQDNLUNNQBAH-BMOWLENRSA-N -1 1 300.406 2.887 20 0 DFADMM Cc1ccc(NC(=O)CN(C)C(=O)c2cc(F)ccc2[O-])cc1 ZINC000081936680 282641739 /nfs/dbraw/zinc/64/17/39/282641739.db2.gz QSOJJFXDYUSJFH-UHFFFAOYSA-N -1 1 316.332 2.550 20 0 DFADMM COc1ccc(F)c([N-]S(=O)(=O)c2c[nH]c3ncccc23)c1 ZINC000088546938 282649086 /nfs/dbraw/zinc/64/90/86/282649086.db2.gz SAKNHOFHEQWMQR-UHFFFAOYSA-N -1 1 321.333 2.511 20 0 DFADMM C[C@H](CN(C)Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)[O-] ZINC000042706821 398600683 /nfs/dbraw/zinc/60/06/83/398600683.db2.gz CMXMAIBZUCWJQF-SECBINFHSA-N -1 1 309.753 2.543 20 0 DFADMM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1ccc(F)cc1Br ZINC000092924707 398607899 /nfs/dbraw/zinc/60/78/99/398607899.db2.gz WEXGYJGKNRHZRI-KCJUWKMLSA-N -1 1 316.170 2.883 20 0 DFADMM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1ccc(F)cc1Br ZINC000092924704 398608156 /nfs/dbraw/zinc/60/81/56/398608156.db2.gz WEXGYJGKNRHZRI-LDYMZIIASA-N -1 1 316.170 2.883 20 0 DFADMM CCOC(=O)c1c[n-]c(NC(=O)c2cc3cc(F)ccc3o2)n1 ZINC000590356620 398616392 /nfs/dbraw/zinc/61/63/92/398616392.db2.gz GFUAJLHVWJFGHJ-UHFFFAOYSA-N -1 1 317.276 2.724 20 0 DFADMM CC(C)OC(=O)[C@@H](C)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000152475583 186077329 /nfs/dbraw/zinc/07/73/29/186077329.db2.gz MDDMRTCQVJDTKD-GFCCVEGCSA-N -1 1 315.369 2.958 20 0 DFADMM COc1ccc(-c2nsc([N-]C(=O)c3ncoc3C)n2)cc1 ZINC000590681461 398650554 /nfs/dbraw/zinc/65/05/54/398650554.db2.gz FJDXTJRCRRTWEA-UHFFFAOYSA-N -1 1 316.342 2.762 20 0 DFADMM O=C([N-]c1cnoc1)c1occc1CN1C(=O)Cc2ccccc21 ZINC000590707632 398656011 /nfs/dbraw/zinc/65/60/11/398656011.db2.gz MWJYJINXDRRZRT-UHFFFAOYSA-N -1 1 323.308 2.609 20 0 DFADMM C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C(=O)[O-] ZINC000385861360 398663577 /nfs/dbraw/zinc/66/35/77/398663577.db2.gz JSGIKSLCCMSSCA-CABZTGNLSA-N -1 1 312.753 2.791 20 0 DFADMM COc1ccc(C(=O)N2CCCN(C)c3ccccc32)c([O-])c1 ZINC000172427534 198095694 /nfs/dbraw/zinc/09/56/94/198095694.db2.gz XCOSWEYUAAKGGK-UHFFFAOYSA-N -1 1 312.369 2.888 20 0 DFADMM CCOc1cc(C(=O)N2CCCc3n[nH]cc32)cc(Cl)c1[O-] ZINC000280118683 215389800 /nfs/dbraw/zinc/38/98/00/215389800.db2.gz OBUKLKVODRGNNQ-UHFFFAOYSA-N -1 1 321.764 2.760 20 0 DFADMM Cc1ccc(SCC(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000045572197 398677828 /nfs/dbraw/zinc/67/78/28/398677828.db2.gz WVYAPXGSMFVDQB-UHFFFAOYSA-N -1 1 316.308 2.863 20 0 DFADMM CCOc1ccc(CNC(=O)c2c([O-])cccc2F)cc1F ZINC000123422498 282847808 /nfs/dbraw/zinc/84/78/08/282847808.db2.gz YEXNMEOHHYHLDW-UHFFFAOYSA-N -1 1 307.296 2.999 20 0 DFADMM CN(C(=O)c1cncc([O-])c1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000173631862 198234931 /nfs/dbraw/zinc/23/49/31/198234931.db2.gz PMFAGDIRMHKUII-MRXNPFEDSA-N -1 1 311.385 2.528 20 0 DFADMM CSC1(CNC(=O)c2cc(Cl)ccc2[O-])CCOCC1 ZINC000174148623 198297559 /nfs/dbraw/zinc/29/75/59/198297559.db2.gz ZECMJNRZIRPMSG-UHFFFAOYSA-N -1 1 315.822 2.688 20 0 DFADMM Cc1cc(C(=O)[N-]c2nnc(Cc3ccc(F)cc3)s2)no1 ZINC000106704480 398699337 /nfs/dbraw/zinc/69/93/37/398699337.db2.gz PXKFKLNRQTZWPC-UHFFFAOYSA-N -1 1 318.333 2.817 20 0 DFADMM O=C([N-]c1nnc(Cc2cccc(F)c2)s1)c1cocn1 ZINC000107165463 398701802 /nfs/dbraw/zinc/70/18/02/398701802.db2.gz IWURWQVVFMZFSL-UHFFFAOYSA-N -1 1 304.306 2.508 20 0 DFADMM C[C@]1(C[N-]S(=O)(=O)c2cc(F)ccc2F)CCCS1 ZINC000126182743 282902666 /nfs/dbraw/zinc/90/26/66/282902666.db2.gz HCBZIZDPVJXWMO-GFCCVEGCSA-N -1 1 307.387 2.529 20 0 DFADMM C[C@H](C(=O)OC(C)(C)C)N(C(=O)c1ccc([O-])c(F)c1)C1CC1 ZINC000591091572 398725391 /nfs/dbraw/zinc/72/53/91/398725391.db2.gz HBZXPWNVGYYYMW-SNVBAGLBSA-N -1 1 323.364 2.866 20 0 DFADMM CCCc1cc(=O)[n-]c(SCc2nnc(C)n2C2CC2)n1 ZINC000130466805 283050148 /nfs/dbraw/zinc/05/01/48/283050148.db2.gz LAWOWJYYWSNQOM-UHFFFAOYSA-N -1 1 305.407 2.662 20 0 DFADMM O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1c([O-])cccc1F ZINC000130729987 283058887 /nfs/dbraw/zinc/05/88/87/283058887.db2.gz SAQMSOHSBZSWOJ-VQISRLSMSA-N -1 1 305.349 2.609 20 0 DFADMM Cc1cc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)ccc1Cl ZINC000332477467 235013270 /nfs/dbraw/zinc/01/32/70/235013270.db2.gz VNRQSFBZIHZYIW-UHFFFAOYSA-N -1 1 321.764 2.757 20 0 DFADMM O=S(=O)([N-][C@H]1C[C@H]1Cc1ccccc1)c1cc(F)ccc1F ZINC000462484580 299226019 /nfs/dbraw/zinc/22/60/19/299226019.db2.gz ALZHQMFLBPYPIT-DOMZBBRYSA-N -1 1 323.364 2.874 20 0 DFADMM COC(=O)CN(C(=O)c1ccc(Cl)cc1[O-])C1CCCC1 ZINC000125525808 291061640 /nfs/dbraw/zinc/06/16/40/291061640.db2.gz AZUVJUGTMMDOBM-UHFFFAOYSA-N -1 1 311.765 2.603 20 0 DFADMM O=C(NCCc1cc(F)c(F)c(F)c1)c1c([O-])cccc1F ZINC000131660735 283093841 /nfs/dbraw/zinc/09/38/41/283093841.db2.gz HVMJSOJORFBGGX-UHFFFAOYSA-N -1 1 313.250 2.921 20 0 DFADMM Cn1cc(Cl)c(CSc2nc(C(F)(F)F)cc(=O)[n-]2)n1 ZINC000114696547 398746938 /nfs/dbraw/zinc/74/69/38/398746938.db2.gz DMGWKTPMKUSLBL-UHFFFAOYSA-N -1 1 324.715 2.880 20 0 DFADMM COC(=O)C1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000078566407 191887149 /nfs/dbraw/zinc/88/71/49/191887149.db2.gz SHFKVZKEURCNJX-UHFFFAOYSA-N -1 1 313.353 2.571 20 0 DFADMM O=S(=O)(c1ncn[n-]1)[C@H]1CCc2c1cc(Cl)cc2Cl ZINC000133260778 283145304 /nfs/dbraw/zinc/14/53/04/283145304.db2.gz MLJLWGXXYYDPQQ-JTQLQIEISA-N -1 1 318.185 2.573 20 0 DFADMM O=S(=O)(c1nc[n-]n1)[C@H]1CCc2c1cc(Cl)cc2Cl ZINC000133260778 283145307 /nfs/dbraw/zinc/14/53/07/283145307.db2.gz MLJLWGXXYYDPQQ-JTQLQIEISA-N -1 1 318.185 2.573 20 0 DFADMM O=S(=O)([N-]c1ccc2nccn2c1)c1cccc(Cl)c1 ZINC000074859561 398771892 /nfs/dbraw/zinc/77/18/92/398771892.db2.gz IYYKJEGSQFZJEY-UHFFFAOYSA-N -1 1 307.762 2.789 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@H]1CCCC[C@@H]1C ZINC000081590775 192299372 /nfs/dbraw/zinc/29/93/72/192299372.db2.gz FEBOVDBZAVIPCI-ONGXEEELSA-N -1 1 309.435 2.769 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)Cc1ccc(C)s1 ZINC000081659613 192308017 /nfs/dbraw/zinc/30/80/17/192308017.db2.gz VBWHJWOQDVKHDE-UHFFFAOYSA-N -1 1 323.443 2.855 20 0 DFADMM COCCCCCNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000135023403 283206165 /nfs/dbraw/zinc/20/61/65/283206165.db2.gz PWDRBBVSKKIWPN-UHFFFAOYSA-N -1 1 301.770 2.601 20 0 DFADMM CCC[C@H](CCO)CNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000135179508 283210814 /nfs/dbraw/zinc/21/08/14/283210814.db2.gz NNMSSHFGPHJLRK-SNVBAGLBSA-N -1 1 315.797 2.583 20 0 DFADMM COc1cc(C(=O)NC2C[C@@H](C)O[C@H](C)C2)cc(Cl)c1[O-] ZINC000135223333 283211438 /nfs/dbraw/zinc/21/14/38/283211438.db2.gz RKSNAFCBGGXBAM-RKDXNWHRSA-N -1 1 313.781 2.740 20 0 DFADMM COc1cc(C(=O)N(C)[C@@H](C)c2cnn(C)c2)cc(Cl)c1[O-] ZINC000135248691 283212477 /nfs/dbraw/zinc/21/24/77/283212477.db2.gz HHKTYIPAIRUJFF-VIFPVBQESA-N -1 1 323.780 2.621 20 0 DFADMM COc1cc(C(=O)NC[C@@H](CC(C)C)OC)cc(Cl)c1[O-] ZINC000416263183 295936107 /nfs/dbraw/zinc/93/61/07/295936107.db2.gz QMFOKPYKYADOFD-LLVKDONJSA-N -1 1 315.797 2.845 20 0 DFADMM Cc1ccc(-c2nc(C(=O)[N-]c3nc(C)ns3)cs2)n1C ZINC000136480831 283240362 /nfs/dbraw/zinc/24/03/62/283240362.db2.gz QLUVKKOHWVNEGB-UHFFFAOYSA-N -1 1 319.415 2.869 20 0 DFADMM CC[C@@H](NC(=O)c1ccc(Br)cc1[O-])c1ncc[nH]1 ZINC000139745381 283259772 /nfs/dbraw/zinc/25/97/72/283259772.db2.gz GGQVYOQTXUOETJ-SNVBAGLBSA-N -1 1 324.178 2.759 20 0 DFADMM CC(C)[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000416542149 295953288 /nfs/dbraw/zinc/95/32/88/295953288.db2.gz CBFQQSWPUASVPA-KWQFWETISA-N -1 1 322.224 2.755 20 0 DFADMM N#Cc1ccc(C(=O)Nc2nc(-c3ccco3)n[nH]2)cc1Cl ZINC000126017832 398810543 /nfs/dbraw/zinc/81/05/43/398810543.db2.gz KTMFVVJSIKXSDZ-UHFFFAOYSA-N -1 1 313.704 2.842 20 0 DFADMM CCC(CC)CS(=O)(=O)[N-][C@H](C(C)=O)c1ccccc1F ZINC000416644842 295960176 /nfs/dbraw/zinc/96/01/76/295960176.db2.gz JCJBNXXJSVQNMA-OAHLLOKOSA-N -1 1 315.410 2.811 20 0 DFADMM COc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c(Cl)c1 ZINC000594592071 398825720 /nfs/dbraw/zinc/82/57/20/398825720.db2.gz YYZSQZLNUMSBJM-UHFFFAOYSA-N -1 1 320.658 2.738 20 0 DFADMM CC(C)[C@@H](CN=c1nc(C2CC2)[n-]s1)C(=O)OC(C)(C)C ZINC000594596078 398826844 /nfs/dbraw/zinc/82/68/44/398826844.db2.gz OSIVWHXLSQBFBC-LLVKDONJSA-N -1 1 311.451 2.863 20 0 DFADMM CO[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000180502305 199168335 /nfs/dbraw/zinc/16/83/35/199168335.db2.gz OUNVYXCOLHPYGG-SNVBAGLBSA-N -1 1 303.280 2.662 20 0 DFADMM CC(C)C[C@@H]1CCCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000152986003 283347666 /nfs/dbraw/zinc/34/76/66/283347666.db2.gz BDNRCUMXXRHMBS-ZDUSSCGKSA-N -1 1 313.401 2.964 20 0 DFADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1F ZINC000076556432 398861170 /nfs/dbraw/zinc/86/11/70/398861170.db2.gz TVOTXMVOCFUZGB-UHFFFAOYSA-N -1 1 308.334 2.585 20 0 DFADMM CCC[C@H](NC(=O)c1cc2c(s1)CCCCC2)c1nn[n-]n1 ZINC000136711844 398874935 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/nfs/dbraw/zinc/23/33/48/426233348.db2.gz ABCQXQBWFOLSPC-UHFFFAOYSA-N -1 1 320.267 2.641 20 0 DFADMM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000173279692 426237982 /nfs/dbraw/zinc/23/79/82/426237982.db2.gz ZYFKXBSXRNFYPZ-WFASDCNBSA-N -1 1 313.401 2.964 20 0 DFADMM O=C(C=Cc1ccc(-c2ccc(F)cc2)s1)Nc1nnn[n-]1 ZINC000118685644 426241408 /nfs/dbraw/zinc/24/14/08/426241408.db2.gz GPMKMMGTMMSMAC-SOFGYWHQSA-N -1 1 315.333 2.719 20 0 DFADMM O=C(C=Cc1ccc(-c2ccc(F)cc2)s1)Nc1nn[n-]n1 ZINC000118685644 426241411 /nfs/dbraw/zinc/24/14/11/426241411.db2.gz GPMKMMGTMMSMAC-SOFGYWHQSA-N -1 1 315.333 2.719 20 0 DFADMM CCCCOCCC[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084935823 426246281 /nfs/dbraw/zinc/24/62/81/426246281.db2.gz ATVSIQBVPULFRO-UHFFFAOYSA-N -1 1 311.403 2.918 20 0 DFADMM COc1cc(NC(=O)c2cncc([O-])c2)ccc1Br ZINC000118826041 426247148 /nfs/dbraw/zinc/24/71/48/426247148.db2.gz FIYLIPMGUVDYDP-UHFFFAOYSA-N -1 1 323.146 2.811 20 0 DFADMM O=C([N-]c1nc2ccc(F)cn2n1)c1coc(-c2ccccc2)n1 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CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000175276177 426293675 /nfs/dbraw/zinc/29/36/75/426293675.db2.gz HFWRIPNXSPBZLY-WDEREUQCSA-N -1 1 321.414 2.917 20 0 DFADMM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000175279351 426294000 /nfs/dbraw/zinc/29/40/00/426294000.db2.gz LMYYWBSFMWQVFL-NEPJUHHUSA-N -1 1 321.414 2.917 20 0 DFADMM O=C(N[C@H](c1ccccc1)c1ccncc1)c1ncccc1[O-] ZINC000153753589 426404238 /nfs/dbraw/zinc/40/42/38/426404238.db2.gz JTSIOWCYFYAGGV-MRXNPFEDSA-N -1 1 305.337 2.702 20 0 DFADMM COc1ccc(NC(C)=O)cc1NC(=O)c1ccccc1[O-] ZINC000121732665 426352101 /nfs/dbraw/zinc/35/21/01/426352101.db2.gz IYGGBIUWWWJTJY-UHFFFAOYSA-N -1 1 300.314 2.612 20 0 DFADMM CC(C)NC(=O)c1ccc(NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000094031544 426359853 /nfs/dbraw/zinc/35/98/53/426359853.db2.gz IEKDJWFDALUNQT-UHFFFAOYSA-N -1 1 316.332 2.922 20 0 DFADMM COc1cc(C(=O)NCCc2c(C)noc2C)cc(Cl)c1[O-] ZINC000153781556 426405997 /nfs/dbraw/zinc/40/59/97/426405997.db2.gz WWQAXYFFIRXAPF-UHFFFAOYSA-N -1 1 324.764 2.632 20 0 DFADMM CCC[C@H](NC(=O)C[C@@H](C)c1ccccc1C)c1nn[n-]n1 ZINC000176768262 426412955 /nfs/dbraw/zinc/41/29/55/426412955.db2.gz CWCHWQBGGUABHW-OCCSQVGLSA-N -1 1 301.394 2.659 20 0 DFADMM CCC[C@@H](NC(=O)Cc1ccc2ccccc2c1)c1nn[n-]n1 ZINC000176759740 426413204 /nfs/dbraw/zinc/41/32/04/426413204.db2.gz FJUKJWHFXKOOSJ-OAHLLOKOSA-N -1 1 309.373 2.553 20 0 DFADMM Cc1ccc(OC(F)F)c(CNC(=O)c2cncc([O-])c2)c1 ZINC000176921173 426425351 /nfs/dbraw/zinc/42/53/51/426425351.db2.gz DWEHPERLYMHVHG-UHFFFAOYSA-N -1 1 308.284 2.627 20 0 DFADMM CCN1CCc2nc(NC(=O)c3cc(F)ccc3[O-])sc2C1 ZINC000177014459 426433752 /nfs/dbraw/zinc/43/37/52/426433752.db2.gz YKVFCMKXKJMHEH-UHFFFAOYSA-N -1 1 321.377 2.618 20 0 DFADMM O=C([O-])[C@]1(NCc2cc(-c3ccccc3)cs2)CCOC1 ZINC000340687700 268998681 /nfs/dbraw/zinc/99/86/81/268998681.db2.gz ZCJVAGPWFZNEED-INIZCTEOSA-N -1 1 303.383 2.748 20 0 DFADMM CCC(CC)N(CCOC)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000097094553 426448190 /nfs/dbraw/zinc/44/81/90/426448190.db2.gz 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/nfs/dbraw/zinc/60/02/33/426600233.db2.gz SRPYLLFVZVBXSG-SNVBAGLBSA-N -1 1 315.797 2.583 20 0 DFADMM CCOc1cc(C(=O)Nc2cnccc2CO)cc(Cl)c1[O-] ZINC000186979705 426616064 /nfs/dbraw/zinc/61/60/64/426616064.db2.gz CLQCPVQGGIFXRP-UHFFFAOYSA-N -1 1 322.748 2.584 20 0 DFADMM Cc1cccc(F)c1S(=O)(=O)Nc1cccc(C(=O)[O-])c1C ZINC000186984320 426617638 /nfs/dbraw/zinc/61/76/38/426617638.db2.gz JXLPMQXGIUAKQA-UHFFFAOYSA-N -1 1 323.345 2.942 20 0 DFADMM CCOc1cc(C(=O)N[C@@H](C)[C@H]2CCCO2)cc(Cl)c1[O-] ZINC000186604203 426563449 /nfs/dbraw/zinc/56/34/49/426563449.db2.gz DNZJGIGDXLGKIG-JOYOIKCWSA-N -1 1 313.781 2.742 20 0 DFADMM CCCc1cc(=O)[n-]c(S[C@@H]2CCCN(C(C)C)C2=O)n1 ZINC000178457135 426632904 /nfs/dbraw/zinc/63/29/04/426632904.db2.gz IVRGPLVPLNVGHI-GFCCVEGCSA-N -1 1 309.435 2.626 20 0 DFADMM C[C@@H](CN(C)C(=O)C=Cc1ccc2ccccc2c1)c1nn[n-]n1 ZINC000187259640 426642444 /nfs/dbraw/zinc/64/24/44/426642444.db2.gz HIZMCPDZDXSGDK-FROQITRMSA-N -1 1 321.384 2.628 20 0 DFADMM O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)c1ccc([O-])cc1 ZINC000280795360 426657503 /nfs/dbraw/zinc/65/75/03/426657503.db2.gz OWZJDHPTOVKLAQ-GHMZBOCLSA-N -1 1 315.291 2.812 20 0 DFADMM O=C(NC[C@H]1CCCc2ccccc21)C(=O)c1ccc([O-])cc1 ZINC000280846238 426669241 /nfs/dbraw/zinc/66/92/41/426669241.db2.gz VPIZJPCGLRJOCU-OAHLLOKOSA-N -1 1 309.365 2.811 20 0 DFADMM CC[C@H](c1ccncc1)N(CC)C(=O)C(=O)c1ccc([O-])cc1 ZINC000280869763 426674013 /nfs/dbraw/zinc/67/40/13/426674013.db2.gz FDADVYVPPZARIU-MRXNPFEDSA-N -1 1 312.369 2.970 20 0 DFADMM O=C(NCCCCNc1ccccn1)c1c(F)ccc([O-])c1F ZINC000280899053 426680876 /nfs/dbraw/zinc/68/08/76/426680876.db2.gz HLGZIRBIBODCBB-UHFFFAOYSA-N -1 1 321.327 2.688 20 0 DFADMM CCSc1cc(CNC(=O)c2cc(F)ccc2[O-])ccn1 ZINC000187043586 426624520 /nfs/dbraw/zinc/62/45/20/426624520.db2.gz UWZDLUKOZROPIU-UHFFFAOYSA-N -1 1 306.362 2.968 20 0 DFADMM CSc1nc(C)c(CCc2nc([C@@H]3CC3(C)C)no2)c(=O)[n-]1 ZINC000273664375 426705274 /nfs/dbraw/zinc/70/52/74/426705274.db2.gz GAYMTSHAHOMEEG-JTQLQIEISA-N -1 1 320.418 2.894 20 0 DFADMM CCOCCC1(CNC(=O)c2c(F)ccc([O-])c2F)CCC1 ZINC000280963068 426695181 /nfs/dbraw/zinc/69/51/81/426695181.db2.gz JTUZOWKSLHYWIM-UHFFFAOYSA-N -1 1 313.344 2.997 20 0 DFADMM O=C(Nc1nc(C2CCC2)n[nH]1)c1cc(=O)c2ccccc2[n-]1 ZINC000273619464 426698302 /nfs/dbraw/zinc/69/83/02/426698302.db2.gz MCWMUMNKPBVGQY-UHFFFAOYSA-N -1 1 309.329 2.578 20 0 DFADMM CC1(C)CC[C@H](C[N-]S(=O)(=O)c2c(F)cccc2Cl)O1 ZINC000188739016 426783971 /nfs/dbraw/zinc/78/39/71/426783971.db2.gz KUXYHAOMUDSNNC-SECBINFHSA-N -1 1 321.801 2.715 20 0 DFADMM CCc1cnc(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])o1 ZINC000281632522 426734120 /nfs/dbraw/zinc/73/41/20/426734120.db2.gz QFQFOEVLEDACMM-UHFFFAOYSA-N -1 1 314.263 2.891 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H](C)c1cccs1 ZINC000266963940 426804692 /nfs/dbraw/zinc/80/46/92/426804692.db2.gz OBLHSLQWZKTVDL-ZETCQYMHSA-N -1 1 309.416 2.765 20 0 DFADMM CC(C)c1nnc([N-]C(=O)c2n[nH]nc2-c2ccccc2)s1 ZINC000188992995 426807001 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O=C(NCCc1ccccn1)c1ccc(C(F)(F)F)cc1[O-] ZINC000180343573 426854579 /nfs/dbraw/zinc/85/45/79/426854579.db2.gz MBODZWIMYFESSN-UHFFFAOYSA-N -1 1 310.275 2.779 20 0 DFADMM C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2cc(F)ccc2[O-])C1 ZINC000281928621 426796207 /nfs/dbraw/zinc/79/62/07/426796207.db2.gz HFQPQRDZUFCALP-OYNZBZHQSA-N -1 1 321.392 2.933 20 0 DFADMM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CCCO1 ZINC000180494667 426863513 /nfs/dbraw/zinc/86/35/13/426863513.db2.gz JKDPUXIRTUUVSN-VIFPVBQESA-N -1 1 303.280 2.662 20 0 DFADMM CC(C)([N-]S(=O)(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000295215238 426866004 /nfs/dbraw/zinc/86/60/04/426866004.db2.gz PZXYSPDQIMMLPY-UHFFFAOYSA-N -1 1 301.717 2.959 20 0 DFADMM Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1F ZINC000180508014 426867013 /nfs/dbraw/zinc/86/70/13/426867013.db2.gz XVWSMJKWZUDAQN-UHFFFAOYSA-N -1 1 323.345 2.942 20 0 DFADMM O=C(NCC1(c2ccc(F)cc2Cl)CCCC1)c1cnn[nH]1 ZINC000189557722 426889982 /nfs/dbraw/zinc/88/99/82/426889982.db2.gz 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/nfs/dbraw/zinc/52/51/93/429525193.db2.gz CNGABMOUZXZLAO-ZETCQYMHSA-N -1 1 305.252 2.706 20 0 DFADMM O=C(Nc1ccc(F)c(N2CCOC2=O)c1)c1ccccc1[O-] ZINC000492485739 429547873 /nfs/dbraw/zinc/54/78/73/429547873.db2.gz XQSVQZXHALGQOZ-UHFFFAOYSA-N -1 1 316.288 2.740 20 0 DFADMM COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1Cc1ncccc1[O-] ZINC000521511718 429555158 /nfs/dbraw/zinc/55/51/58/429555158.db2.gz AFCNKYUEZQEFJU-HOTGVXAUSA-N -1 1 312.369 2.666 20 0 DFADMM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)CC1 ZINC000521733721 429562332 /nfs/dbraw/zinc/56/23/32/429562332.db2.gz GHJBGODUSSPBMW-KYZUINATSA-N -1 1 307.337 2.961 20 0 DFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1C[C@]1(C)C(C)C ZINC000458121187 429583509 /nfs/dbraw/zinc/58/35/09/429583509.db2.gz XDSNTCBQJCOQPH-PIGZYNQJSA-N -1 1 305.422 2.953 20 0 DFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1C[C@]1(C)C(C)C ZINC000458121181 429584066 /nfs/dbraw/zinc/58/40/66/429584066.db2.gz XDSNTCBQJCOQPH-APPDUMDISA-N -1 1 305.422 2.953 20 0 DFADMM CCSc1cc(CNC(=O)c2ncc(C)cc2[O-])ccn1 ZINC000428656983 429541333 /nfs/dbraw/zinc/54/13/33/429541333.db2.gz RYZVMFUUKRIHAW-UHFFFAOYSA-N -1 1 303.387 2.533 20 0 DFADMM CS(=O)(=O)[N-]c1ccc(Cl)cc1OCC(F)(F)F ZINC000524181555 429619603 /nfs/dbraw/zinc/61/96/03/429619603.db2.gz MREYDTFFEHFHTA-UHFFFAOYSA-N -1 1 303.689 2.653 20 0 DFADMM Cn1ccc2c1cccc2C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000525240613 429651250 /nfs/dbraw/zinc/65/12/50/429651250.db2.gz WHVSFCGPNTWFKA-UHFFFAOYSA-N -1 1 318.340 2.611 20 0 DFADMM C[C@H]1COCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000367699587 429702394 /nfs/dbraw/zinc/70/23/94/429702394.db2.gz RCPPRXNRBCDKJT-SECBINFHSA-N -1 1 303.280 2.520 20 0 DFADMM COc1cc(CN2CCC(c3n[nH]c(=O)[n-]3)CC2)ccc1Cl ZINC000450888939 429719748 /nfs/dbraw/zinc/71/97/48/429719748.db2.gz BGJDWSPTOCZWOS-UHFFFAOYSA-N -1 1 322.796 2.552 20 0 DFADMM O=C(c1c([O-])cnc2ccccc21)N1CC[C@@]2(C1)CCCOC2 ZINC000367924725 429743948 /nfs/dbraw/zinc/74/39/48/429743948.db2.gz BDBNQZVXVZLLJM-GOSISDBHSA-N -1 1 312.369 2.583 20 0 DFADMM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@@H]1C[C@@H]1c1nc[nH]n1 ZINC000368147462 429799600 /nfs/dbraw/zinc/79/96/00/429799600.db2.gz KFNYQSGYRMNAOK-NKWVEPMBSA-N -1 1 313.144 2.559 20 0 DFADMM CCn1cc(CN(C)C(=O)c2cc(Cl)c([O-])c(OC)c2)cn1 ZINC000527482530 429752876 /nfs/dbraw/zinc/75/28/76/429752876.db2.gz TZACEEUXICXQHI-UHFFFAOYSA-N -1 1 323.780 2.543 20 0 DFADMM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(C)(F)F ZINC000451065419 429760336 /nfs/dbraw/zinc/76/03/36/429760336.db2.gz AGAHMFBNZWLMHK-ZETCQYMHSA-N -1 1 313.753 2.671 20 0 DFADMM O=S(=O)([N-]C[C@@H](O)C1CCCCC1)c1sccc1Cl ZINC000451224038 429790709 /nfs/dbraw/zinc/79/07/09/429790709.db2.gz XBEGLAJHQCBYRY-LLVKDONJSA-N -1 1 323.867 2.621 20 0 DFADMM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2sccc2Cl)o1 ZINC000451384852 429820897 /nfs/dbraw/zinc/82/08/97/429820897.db2.gz QINHSELVRYQUBY-ZETCQYMHSA-N -1 1 306.796 2.737 20 0 DFADMM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2sccc2Cl)C[C@H](C)O1 ZINC000451485104 429833891 /nfs/dbraw/zinc/83/38/91/429833891.db2.gz AJAQOEDOSAPVKY-ILWJIGKKSA-N -1 1 323.867 2.883 20 0 DFADMM CC[C@H]([N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)C(F)F ZINC000451638155 429864439 /nfs/dbraw/zinc/86/44/39/429864439.db2.gz ZGPBCVUXILOLSO-IUCAKERBSA-N -1 1 305.337 2.775 20 0 DFADMM CCC=C(C)C(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000368651762 429882535 /nfs/dbraw/zinc/88/25/35/429882535.db2.gz HWGAYIVVUROTLI-WNPFHQFXSA-N -1 1 323.759 2.554 20 0 DFADMM CC/C=C(\C)C(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000368651762 429882539 /nfs/dbraw/zinc/88/25/39/429882539.db2.gz HWGAYIVVUROTLI-WNPFHQFXSA-N -1 1 323.759 2.554 20 0 DFADMM Cc1ccc2c([O-])c(C(=O)N3CC[C@H](c4ccco4)C3)cnc2n1 ZINC000369235181 429920886 /nfs/dbraw/zinc/92/08/86/429920886.db2.gz HPCMWKLYQKYRPS-LBPRGKRZSA-N -1 1 323.352 2.867 20 0 DFADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CC[C@H](c3ccco3)C1)c2=O ZINC000369235181 429920887 /nfs/dbraw/zinc/92/08/87/429920887.db2.gz HPCMWKLYQKYRPS-LBPRGKRZSA-N -1 1 323.352 2.867 20 0 DFADMM Cc1cn2nc([N-]c3cnn(CC(C)C)c3C3CC3)sc2n1 ZINC000558043541 429960892 /nfs/dbraw/zinc/96/08/92/429960892.db2.gz HWDXOADJJHRFMF-UHFFFAOYSA-N -1 1 316.434 3.573 20 0 DFADMM Cc1c2ccccc2nc(CN2CCSCC2)c1C(=O)[O-] ZINC000573570351 429963012 /nfs/dbraw/zinc/96/30/12/429963012.db2.gz CMGWPDBEQHBYKD-UHFFFAOYSA-N -1 1 302.399 2.790 20 0 DFADMM O=C(N[C@@H](c1ccccc1)C(F)(F)F)C(=O)c1ccc([O-])cc1 ZINC000558554256 429976794 /nfs/dbraw/zinc/97/67/94/429976794.db2.gz LVUICIODMNEBLF-AWEZNQCLSA-N -1 1 323.270 2.995 20 0 DFADMM COC(=O)c1ccc([O-])c(NC(=O)C[C@H](C)n2cccc2)c1 ZINC000574293882 430030102 /nfs/dbraw/zinc/03/01/02/430030102.db2.gz QEGOGAGRNGWWGP-NSHDSACASA-N -1 1 302.330 2.570 20 0 DFADMM CCCc1[n-]n(C[C@H]2COc3ccccc3O2)c(=O)c1CC ZINC000634590265 430044779 /nfs/dbraw/zinc/04/47/79/430044779.db2.gz UTFJYUCWLUEGCR-STQMWFEESA-N -1 1 302.374 2.851 20 0 DFADMM O=C(c1c(F)ccc([O-])c1F)N1CCc2ccccc2CC1 ZINC000574486768 430044897 /nfs/dbraw/zinc/04/48/97/430044897.db2.gz QHJWOBOGBRJNFW-UHFFFAOYSA-N -1 1 303.308 2.911 20 0 DFADMM CCCc1[n-]n(C[C@H]2COc3ccccc3O2)c(=O)c1CC ZINC000634590264 430045476 /nfs/dbraw/zinc/04/54/76/430045476.db2.gz UTFJYUCWLUEGCR-QWHCGFSZSA-N -1 1 302.374 2.851 20 0 DFADMM Cc1cc(NC(=O)Cc2ccc([O-])c(Cl)c2)nn1C(C)C ZINC000633461443 429994445 /nfs/dbraw/zinc/99/44/45/429994445.db2.gz YXUSKRKYWHRSRF-UHFFFAOYSA-N -1 1 307.781 3.313 20 0 DFADMM C[N@@H+]1CCN(C(=O)c2ccc(C(F)(F)F)cc2O)CC1(C)C ZINC000559258660 430001400 /nfs/dbraw/zinc/00/14/00/430001400.db2.gz VKQDJQSRGYBUDH-UHFFFAOYSA-N -1 1 316.323 2.577 20 0 DFADMM CC(C)C[C@@H]1COCCN1CCOc1cccc(C(=O)[O-])c1 ZINC000574091837 430010374 /nfs/dbraw/zinc/01/03/74/430010374.db2.gz KMHPXMPNASUPOK-OAHLLOKOSA-N -1 1 307.390 2.511 20 0 DFADMM O=c1nc(CN2CC[C@H](O)[C@H]3CCCC[C@H]32)[n-]c2ccsc21 ZINC000640096933 430087887 /nfs/dbraw/zinc/08/78/87/430087887.db2.gz JNGZBKCRVAYTJX-UHTWSYAYSA-N -1 1 319.430 2.522 20 0 DFADMM O=C([O-])c1cnc(CN(C2CC2)[C@@H]2CCc3ccccc32)cn1 ZINC000530163423 430099984 /nfs/dbraw/zinc/09/99/84/430099984.db2.gz YIRZBUKWJRYSEY-QGZVFWFLSA-N -1 1 309.369 2.827 20 0 DFADMM CC(C)Cc1nnc([N-]C(=O)c2noc3c2C[C@H](C)CC3)s1 ZINC000576335454 430103584 /nfs/dbraw/zinc/10/35/84/430103584.db2.gz GLKJDTZMPUJTEM-SECBINFHSA-N -1 1 320.418 3.102 20 0 DFADMM CC(C)Cc1nnc([N-]C(=O)c2noc3c2C[C@@H](C)CC3)s1 ZINC000576335457 430103933 /nfs/dbraw/zinc/10/39/33/430103933.db2.gz GLKJDTZMPUJTEM-VIFPVBQESA-N -1 1 320.418 3.102 20 0 DFADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2c(O)cccc2Cl)c1 ZINC000562054391 430106399 /nfs/dbraw/zinc/10/63/99/430106399.db2.gz XTJIFZSAUSZLCV-UHFFFAOYSA-N -1 1 320.732 2.962 20 0 DFADMM CC1(C2CC2)CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000562230871 430112029 /nfs/dbraw/zinc/11/20/29/430112029.db2.gz CTMPVJJJIHEQSZ-UHFFFAOYSA-N -1 1 311.385 2.575 20 0 DFADMM COc1nccnc1-n1[n-]c(Cc2ccccc2)c(C(C)C)c1=O ZINC000634609602 430052588 /nfs/dbraw/zinc/05/25/88/430052588.db2.gz HUHDKOWAVBAFKO-HNNXBMFYSA-N -1 1 324.384 2.703 20 0 DFADMM CCc1c(=O)n(-c2ccc(C(=O)[O-])cc2OC)[nH]c1C(C)C ZINC000634611794 430052792 /nfs/dbraw/zinc/05/27/92/430052792.db2.gz DXIQMARATUOUOZ-NSHDSACASA-N -1 1 304.346 2.778 20 0 DFADMM CCc1c(=O)n([C@@H]2CCOC2(C)C)[n-]c1-c1cccc(OC)c1 ZINC000634632071 430059947 /nfs/dbraw/zinc/05/99/47/430059947.db2.gz ITTAVUKZLFBSBV-LSDHHAIUSA-N -1 1 316.401 2.835 20 0 DFADMM COc1ccc(C(=O)Nc2ccc3oc(CO)cc3c2)c([O-])c1 ZINC000560815133 430068603 /nfs/dbraw/zinc/06/86/03/430068603.db2.gz CPUVAYRVRNPJBO-UHFFFAOYSA-N -1 1 313.309 2.892 20 0 DFADMM O=C([O-])[C@@H]1CCN(Cc2nc(C3CCC3)no2)[C@H]2CCCC[C@H]12 ZINC000634692974 430080291 /nfs/dbraw/zinc/08/02/91/430080291.db2.gz NTPNLLUOYLQGJG-MCIONIFRSA-N -1 1 319.405 2.802 20 0 DFADMM O=S(=O)(CCOCC1CCC1)[N-]c1cccc(Cl)c1O ZINC000634789639 430114168 /nfs/dbraw/zinc/11/41/68/430114168.db2.gz XSMFKTAYSRYVCN-UHFFFAOYSA-N -1 1 319.810 2.604 20 0 DFADMM Cc1ccnc(C(=O)CSc2nc(C3CC3)cc(=O)[n-]2)c1 ZINC000580951253 430163719 /nfs/dbraw/zinc/16/37/19/430163719.db2.gz GBPZCDAAXRQVQS-UHFFFAOYSA-N -1 1 301.371 2.738 20 0 DFADMM CO[C@@H]1C[C@H](N(C)Cc2nc(=O)c3sccc3[n-]2)C12CCC2 ZINC000562735278 430173987 /nfs/dbraw/zinc/17/39/87/430173987.db2.gz LSMXIAZQTXQPLR-NWDGAFQWSA-N -1 1 319.430 2.786 20 0 DFADMM Cc1c(C(=O)[O-])sc2nc(C)nc(N[C@H]3CSC[C@@H]3C)c12 ZINC000581073132 430175491 /nfs/dbraw/zinc/17/54/91/430175491.db2.gz ATNICLBDNZAZIA-RCOVLWMOSA-N -1 1 323.443 2.592 20 0 DFADMM CCC[C@H](NC(=O)c1cc2cc(Cl)sc2[nH]1)c1nn[n-]n1 ZINC000562326851 430120604 /nfs/dbraw/zinc/12/06/04/430120604.db2.gz WIBHUXOCJNJOHE-ZETCQYMHSA-N -1 1 324.797 2.667 20 0 DFADMM CO[C@@]1(C)C[C@@H]([N-]S(=O)(=O)c2cc3ccccc3o2)C1(C)C ZINC000531010505 430130416 /nfs/dbraw/zinc/13/04/16/430130416.db2.gz YHRLSLSKPOJLPG-CJNGLKHVSA-N -1 1 323.414 2.915 20 0 DFADMM CCC[C@H](NC(=O)c1cc2sccc2s1)c1nn[n-]n1 ZINC000531571088 430145526 /nfs/dbraw/zinc/14/55/26/430145526.db2.gz QOQOVJBFSRKAKD-ZETCQYMHSA-N -1 1 307.404 2.747 20 0 DFADMM C[C@H](CC(=O)[O-])N(C)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000581322315 430199598 /nfs/dbraw/zinc/19/95/98/430199598.db2.gz USADBQUEJQLMOW-MRVPVSSYSA-N -1 1 316.188 2.936 20 0 DFADMM C[C@@]1([N-]S(=O)(=O)c2cc3ccccc3o2)CCO[C@@H]1C1CC1 ZINC000542320574 430207284 /nfs/dbraw/zinc/20/72/84/430207284.db2.gz QOOPOGAZSINUTR-HZPDHXFCSA-N -1 1 321.398 2.669 20 0 DFADMM C[C@@](O)(CN1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000581434852 430207626 /nfs/dbraw/zinc/20/76/26/430207626.db2.gz OWRGGVVTWYFZQX-TZMCWYRMSA-N -1 1 318.200 2.966 20 0 DFADMM CCN1CCN(C(=O)c2cccc(C(F)(F)F)c2[O-])[C@H](C)C1 ZINC000581557078 430218570 /nfs/dbraw/zinc/21/85/70/430218570.db2.gz AJCBIOCPRQSXQQ-SNVBAGLBSA-N -1 1 316.323 2.577 20 0 DFADMM CCCCCc1ccc(NC(=O)CCCc2nn[n-]n2)cc1 ZINC000635115379 430212281 /nfs/dbraw/zinc/21/22/81/430212281.db2.gz OFXNXYUGTVGUDQ-UHFFFAOYSA-N -1 1 301.394 2.894 20 0 DFADMM CC[C@H](C)N(Cc1cc(C(=O)[O-])nn1C)Cc1ccccc1 ZINC000635300610 430247268 /nfs/dbraw/zinc/24/72/68/430247268.db2.gz VBSZOHAOPMWYGV-ZDUSSCGKSA-N -1 1 301.390 2.919 20 0 DFADMM 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545590791 /nfs/dbraw/zinc/59/07/91/545590791.db2.gz HZRHTCZKVYBQON-GTNSWQLSSA-N -1 1 315.344 2.996 20 0 DFADMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1nc(C(C)(C)C)no1 ZINC000681052038 545588569 /nfs/dbraw/zinc/58/85/69/545588569.db2.gz JSHQIZGQQARGBD-MRVPVSSYSA-N -1 1 307.325 2.703 20 0 DFADMM Cc1cc(NC(=O)c2ccc([O-])c(F)c2)ccc1C(=O)N(C)C ZINC000681049891 545588884 /nfs/dbraw/zinc/58/88/84/545588884.db2.gz VZHHUMUTGRVZHT-UHFFFAOYSA-N -1 1 316.332 2.794 20 0 DFADMM C[C@H](NC(=O)c1ccc([O-])c(F)c1)c1nc(C(C)(C)C)no1 ZINC000681052039 545588894 /nfs/dbraw/zinc/58/88/94/545588894.db2.gz JSHQIZGQQARGBD-QMMMGPOBSA-N -1 1 307.325 2.703 20 0 DFADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@H]1[C@H]1CCCCC1=O ZINC000681054382 545589961 /nfs/dbraw/zinc/58/99/61/545589961.db2.gz REABPKQLQYFQCH-OCCSQVGLSA-N -1 1 305.349 2.895 20 0 DFADMM O=C(c1ccc([O-])c(F)c1)N1CCOC[C@@H]1Cc1ccccc1 ZINC000681054781 545590031 /nfs/dbraw/zinc/59/00/31/545590031.db2.gz CAUYGWGTRBBXRM-HNNXBMFYSA-N -1 1 315.344 2.615 20 0 DFADMM COc1ccc2c(c1)CC[C@@H](NC(=O)c1c([O-])cccc1F)C2 ZINC000681350869 545631217 /nfs/dbraw/zinc/63/12/17/545631217.db2.gz LRXNCOSUMAVEPD-CYBMUJFWSA-N -1 1 315.344 2.827 20 0 DFADMM COc1cccc2c1OCC[C@@H]2NC(=O)c1ccc([O-])cc1F ZINC000681516519 545661291 /nfs/dbraw/zinc/66/12/91/545661291.db2.gz XEPJFMGJDXDADM-AWEZNQCLSA-N -1 1 317.316 2.794 20 0 DFADMM Cc1cccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)c1O ZINC000681553413 545672146 /nfs/dbraw/zinc/67/21/46/545672146.db2.gz BWPFGFZJOLULFK-UHFFFAOYSA-N -1 1 321.336 2.907 20 0 DFADMM Cc1cnc(C(=O)NCc2c(F)c(F)cc(F)c2F)c([O-])c1 ZINC000681733609 545710106 /nfs/dbraw/zinc/71/01/06/545710106.db2.gz IPGBRZHWYUTRLK-UHFFFAOYSA-N -1 1 314.238 2.582 20 0 DFADMM Cc1cc(CN2CCC(c3ccccc3C(=O)[O-])CC2)nn1C ZINC000682185123 545814886 /nfs/dbraw/zinc/81/48/86/545814886.db2.gz NCXAPRFXGOGJLL-UHFFFAOYSA-N -1 1 313.401 2.806 20 0 DFADMM CCOc1cc(C(=O)N[C@]2(CC)CCOC2)cc(Cl)c1[O-] ZINC000682974718 545952249 /nfs/dbraw/zinc/95/22/49/545952249.db2.gz MFHZDEYBKPMZFN-OAHLLOKOSA-N -1 1 313.781 2.743 20 0 DFADMM O=S(=O)(Cc1ccccc1Cl)[N-]c1cnc(C2CC2)nc1 ZINC000683709147 546080035 /nfs/dbraw/zinc/08/00/35/546080035.db2.gz WEDNQNDJNXZHGI-UHFFFAOYSA-N -1 1 323.805 2.949 20 0 DFADMM O=C(Nc1c([O-])cccc1F)c1cc2nccnc2cc1F ZINC000684292926 546189237 /nfs/dbraw/zinc/18/92/37/546189237.db2.gz CYFFEVMXWSJWQD-UHFFFAOYSA-N -1 1 301.252 2.866 20 0 DFADMM COc1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C(F)F)c1 ZINC000684599823 546250325 /nfs/dbraw/zinc/25/03/25/546250325.db2.gz WUWCNMZZEIRBGO-UHFFFAOYSA-N -1 1 313.753 2.671 20 0 DFADMM CC1=C[C@H](C)CN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)C1 ZINC000684758453 546274350 /nfs/dbraw/zinc/27/43/50/546274350.db2.gz BRERLGKUGPEGLH-JTQLQIEISA-N -1 1 303.406 2.826 20 0 DFADMM CCC(O)(CC)CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684875373 546296174 /nfs/dbraw/zinc/29/61/74/546296174.db2.gz ILRXVUJJYGMATC-UHFFFAOYSA-N -1 1 305.296 2.692 20 0 DFADMM O=C(N[C@@H]1CCCC[C@H]1CO)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684876889 546296305 /nfs/dbraw/zinc/29/63/05/546296305.db2.gz FYFAKELUZOXFBN-CMPLNLGQSA-N -1 1 317.307 2.692 20 0 DFADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCOCC12CCC2 ZINC000684876923 546296871 /nfs/dbraw/zinc/29/68/71/546296871.db2.gz GKNJBJHFTCGACR-UHFFFAOYSA-N -1 1 315.291 2.806 20 0 DFADMM CC1(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)CCOCC1 ZINC000684876982 546297005 /nfs/dbraw/zinc/29/70/05/546297005.db2.gz IVZOIWSDZOXDMV-UHFFFAOYSA-N -1 1 303.280 2.710 20 0 DFADMM CN(Cc1nc(-c2cccs2)no1)Cc1ncccc1[O-] ZINC000685436297 546349328 /nfs/dbraw/zinc/34/93/28/546349328.db2.gz RDEWNEYAPZSJKU-UHFFFAOYSA-N -1 1 302.359 2.531 20 0 DFADMM CC(C)(CNC(=O)c1c(F)ccc([O-])c1F)c1ccncc1 ZINC000685458639 546353353 /nfs/dbraw/zinc/35/33/53/546353353.db2.gz NBGDFMBBHPLUGJ-UHFFFAOYSA-N -1 1 306.312 2.773 20 0 DFADMM O=C(N[C@@H]1CCc2cc(O)ccc2C1)c1c(F)ccc([O-])c1F ZINC000685485129 546359033 /nfs/dbraw/zinc/35/90/33/546359033.db2.gz HRQTVSLBLUTQIQ-LLVKDONJSA-N -1 1 319.307 2.663 20 0 DFADMM Cc1noc(C)c1[C@@H](C)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000737536225 598870186 /nfs/dbraw/zinc/87/01/86/598870186.db2.gz FYPPGTGFCFMASI-ZCFIWIBFSA-N -1 1 319.756 2.693 20 0 DFADMM Cc1noc(C)c1[C@@H](C)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000737536225 598870188 /nfs/dbraw/zinc/87/01/88/598870188.db2.gz FYPPGTGFCFMASI-ZCFIWIBFSA-N -1 1 319.756 2.693 20 0 DFADMM O=C(Nc1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738176996 598979439 /nfs/dbraw/zinc/97/94/39/598979439.db2.gz BMOXVSIMEQDQID-UHFFFAOYSA-N -1 1 316.324 2.667 20 0 DFADMM O=C(Nc1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738176996 598979441 /nfs/dbraw/zinc/97/94/41/598979441.db2.gz BMOXVSIMEQDQID-UHFFFAOYSA-N -1 1 316.324 2.667 20 0 DFADMM CC(C)c1ccccc1OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735933023 598980911 /nfs/dbraw/zinc/98/09/11/598980911.db2.gz RVJZQWWSEFWIEQ-UHFFFAOYSA-N -1 1 309.329 2.604 20 0 DFADMM CC(C)c1ccccc1OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735933023 598980914 /nfs/dbraw/zinc/98/09/14/598980914.db2.gz RVJZQWWSEFWIEQ-UHFFFAOYSA-N -1 1 309.329 2.604 20 0 DFADMM CN(CCc1cccs1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821607253 599087657 /nfs/dbraw/zinc/08/76/57/599087657.db2.gz GFNRWIKPSCJYOP-UHFFFAOYSA-N -1 1 320.809 2.656 20 0 DFADMM CN(CCc1cccs1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821607253 599087659 /nfs/dbraw/zinc/08/76/59/599087659.db2.gz GFNRWIKPSCJYOP-UHFFFAOYSA-N -1 1 320.809 2.656 20 0 DFADMM CCC[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000736436113 599153975 /nfs/dbraw/zinc/15/39/75/599153975.db2.gz OREQOKHBUJKTAS-HNNXBMFYSA-N -1 1 323.356 2.960 20 0 DFADMM CCC[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000736436113 599153977 /nfs/dbraw/zinc/15/39/77/599153977.db2.gz OREQOKHBUJKTAS-HNNXBMFYSA-N -1 1 323.356 2.960 20 0 DFADMM O=C([O-])c1ccc(CNCc2cnc([C@@H]3CCCO3)s2)cc1 ZINC000263401853 597396942 /nfs/dbraw/zinc/39/69/42/597396942.db2.gz IJSWTZPBYQLHCL-AWEZNQCLSA-N -1 1 318.398 2.983 20 0 DFADMM COc1c(F)cc(NCc2ccc(-c3nn[n-]n3)s2)cc1F ZINC000821698338 607309840 /nfs/dbraw/zinc/30/98/40/607309840.db2.gz FZJYSLUDCBZQSE-UHFFFAOYSA-N -1 1 323.328 2.827 20 0 DFADMM CCCOc1cccc(CCNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000821138603 607330029 /nfs/dbraw/zinc/33/00/29/607330029.db2.gz CMEOVBHTOZDTBU-UHFFFAOYSA-N -1 1 324.388 2.705 20 0 DFADMM CCCOc1cccc(CCNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000821138603 607330030 /nfs/dbraw/zinc/33/00/30/607330030.db2.gz CMEOVBHTOZDTBU-UHFFFAOYSA-N -1 1 324.388 2.705 20 0 DFADMM O=C([O-])C[C@H]1CCCN(Cc2c(Cl)nc3ccccn32)C1 ZINC000821515663 598151432 /nfs/dbraw/zinc/15/14/32/598151432.db2.gz LGVCWRJDHCAJIK-LLVKDONJSA-N -1 1 307.781 2.674 20 0 DFADMM COC(=O)c1ccc(CN[C@H](C(=O)[O-])c2ccccc2)c(F)c1 ZINC000820684960 598199764 /nfs/dbraw/zinc/19/97/64/598199764.db2.gz HTQICRQIZAWZGT-HNNXBMFYSA-N -1 1 317.316 2.528 20 0 DFADMM Fc1cccc(Sc2ncc3ccccn32)c1-c1nn[n-]n1 ZINC000737663144 598236231 /nfs/dbraw/zinc/23/62/31/598236231.db2.gz GTKYUFCITQJOLP-UHFFFAOYSA-N -1 1 312.333 2.805 20 0 DFADMM CCN(c1ccc(Nc2nccnc2-c2nnn[n-]2)cc1)C(C)C ZINC000736565257 598336584 /nfs/dbraw/zinc/33/65/84/598336584.db2.gz UGDQXCIQNSALGO-UHFFFAOYSA-N -1 1 324.392 2.635 20 0 DFADMM CCN(c1ccc(Nc2nccnc2-c2nn[n-]n2)cc1)C(C)C ZINC000736565257 598336585 /nfs/dbraw/zinc/33/65/85/598336585.db2.gz UGDQXCIQNSALGO-UHFFFAOYSA-N -1 1 324.392 2.635 20 0 DFADMM CC(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC000735707832 598341796 /nfs/dbraw/zinc/34/17/96/598341796.db2.gz FGLBPVVCRZMQMI-CYBMUJFWSA-N -1 1 309.377 2.508 20 0 DFADMM CC(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC000735707832 598341798 /nfs/dbraw/zinc/34/17/98/598341798.db2.gz FGLBPVVCRZMQMI-CYBMUJFWSA-N -1 1 309.377 2.508 20 0 DFADMM Fc1ccc(C2=CCN(c3cccc(-c4nnn[n-]4)n3)CC2)cc1 ZINC000737647904 599401163 /nfs/dbraw/zinc/40/11/63/599401163.db2.gz FOPSRAXYEKKSJS-UHFFFAOYSA-N -1 1 322.347 2.695 20 0 DFADMM Fc1ccc(C2=CCN(c3cccc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000737647904 599401165 /nfs/dbraw/zinc/40/11/65/599401165.db2.gz FOPSRAXYEKKSJS-UHFFFAOYSA-N -1 1 322.347 2.695 20 0 DFADMM C[C@H](CNc1cccc(-c2nnn[n-]2)n1)COCc1ccccc1 ZINC000736024881 599415788 /nfs/dbraw/zinc/41/57/88/599415788.db2.gz AYEBCMKYILRFKV-CYBMUJFWSA-N -1 1 324.388 2.527 20 0 DFADMM C[C@H](CNc1cccc(-c2nn[n-]n2)n1)COCc1ccccc1 ZINC000736024881 599415792 /nfs/dbraw/zinc/41/57/92/599415792.db2.gz AYEBCMKYILRFKV-CYBMUJFWSA-N -1 1 324.388 2.527 20 0 DFADMM CC(C)(CNc1cccc(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC000735671303 599426074 /nfs/dbraw/zinc/42/60/74/599426074.db2.gz SGDNLXUHUGERDT-UHFFFAOYSA-N -1 1 312.352 2.791 20 0 DFADMM CC(C)(CNc1cccc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC000735671303 599426076 /nfs/dbraw/zinc/42/60/76/599426076.db2.gz SGDNLXUHUGERDT-UHFFFAOYSA-N -1 1 312.352 2.791 20 0 DFADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2NCCOC1CCCC1 ZINC000823796944 599499893 /nfs/dbraw/zinc/49/98/93/599499893.db2.gz IPOJBYSXPQRNDG-UHFFFAOYSA-N -1 1 324.388 2.786 20 0 DFADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2NCCOC1CCCC1 ZINC000823796944 599499895 /nfs/dbraw/zinc/49/98/95/599499895.db2.gz IPOJBYSXPQRNDG-UHFFFAOYSA-N -1 1 324.388 2.786 20 0 DFADMM CCCCOCCCCOC(=O)c1sccc1-c1nn[n-]n1 ZINC000821071747 599626291 /nfs/dbraw/zinc/62/62/91/599626291.db2.gz LHTCFCJOHBCOQI-UHFFFAOYSA-N -1 1 324.406 2.682 20 0 DFADMM CN(Cc1ccc(C(=O)[O-])o1)C[C@H]1OCCc2ccccc21 ZINC000737470517 599719260 /nfs/dbraw/zinc/71/92/60/599719260.db2.gz GCTNFUYGZSBAKT-MRXNPFEDSA-N -1 1 301.342 2.724 20 0 DFADMM CC[C@@H](C)[C@H](NC(=O)CN1CCC2(CCCCC2)CC1)C(=O)[O-] ZINC000736879458 599853623 /nfs/dbraw/zinc/85/36/23/599853623.db2.gz QNLBNSYVPLFXRT-ZBFHGGJFSA-N -1 1 324.465 2.648 20 0 DFADMM CC(C)(NCC(=O)N(c1ccccc1)C1CCCCC1)C(=O)[O-] ZINC000736339231 599926477 /nfs/dbraw/zinc/92/64/77/599926477.db2.gz NSZSYASNCVZWPQ-UHFFFAOYSA-N -1 1 318.417 2.805 20 0 DFADMM CCc1cccc(C)c1NC(=O)CN(C[C@H](C)C(=O)[O-])C1CC1 ZINC000737266737 599948634 /nfs/dbraw/zinc/94/86/34/599948634.db2.gz HYHWXPXLVJXDGI-ZDUSSCGKSA-N -1 1 318.417 2.681 20 0 DFADMM O=C([O-])c1ccccc1NC(=O)CN1CCCc2ccccc2C1 ZINC000739290049 600094244 /nfs/dbraw/zinc/09/42/44/600094244.db2.gz PEASMXHFNOBIEJ-UHFFFAOYSA-N -1 1 324.380 2.772 20 0 DFADMM C[C@H](c1nnc(-c2ccccc2)o1)N1CCC[C@@H](C(=O)[O-])C1 ZINC000736727121 600137800 /nfs/dbraw/zinc/13/78/00/600137800.db2.gz CXAPBNKFTFWVTN-DGCLKSJQSA-N -1 1 301.346 2.594 20 0 DFADMM CSc1cccc(NC(=O)CNC2(C(=O)[O-])CCCCC2)c1 ZINC000738215096 600149345 /nfs/dbraw/zinc/14/93/45/600149345.db2.gz QRZDEFNNHKVWMJ-UHFFFAOYSA-N -1 1 322.430 2.724 20 0 DFADMM CCOC(=O)CCCCCOc1cccc(F)c1-c1nnn[n-]1 ZINC000825506237 607864975 /nfs/dbraw/zinc/86/49/75/607864975.db2.gz IMLKTLJYBHBBTG-UHFFFAOYSA-N -1 1 322.340 2.508 20 0 DFADMM CCOC(=O)CCCCCOc1cccc(F)c1-c1nn[n-]n1 ZINC000825506237 607864976 /nfs/dbraw/zinc/86/49/76/607864976.db2.gz IMLKTLJYBHBBTG-UHFFFAOYSA-N -1 1 322.340 2.508 20 0 DFADMM CCCN1CCC[C@H]1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000737030196 600202886 /nfs/dbraw/zinc/20/28/86/600202886.db2.gz MIWPLSNMJKJXFL-ZDUSSCGKSA-N -1 1 310.781 2.851 20 0 DFADMM CN(Cc1ccc(NC(=O)c2cccc3cn[nH]c32)cc1)C(=O)[O-] ZINC000737485379 600304997 /nfs/dbraw/zinc/30/49/97/600304997.db2.gz LALABBQFRBUDTB-UHFFFAOYSA-N -1 1 324.340 2.925 20 0 DFADMM CCN1CCCC[C@H]1C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000737117399 600305446 /nfs/dbraw/zinc/30/54/46/600305446.db2.gz ZHTRVGYCFLMTFX-HNNXBMFYSA-N -1 1 319.405 2.609 20 0 DFADMM COc1ncccc1CN[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000738145473 600421377 /nfs/dbraw/zinc/42/13/77/600421377.db2.gz IDAUSMOPFLVZAA-ZDUSSCGKSA-N -1 1 306.749 2.659 20 0 DFADMM C[C@@H](Nc1ccc(C(=O)[O-])nn1)c1nc2ccc(Cl)cc2[nH]1 ZINC000736670697 600432982 /nfs/dbraw/zinc/43/29/82/600432982.db2.gz HBCNQEQEOSJMDM-SSDOTTSWSA-N -1 1 317.736 2.878 20 0 DFADMM C[C@@H]1[C@H](C)SCCN1Cn1ncc2cc(C(=O)[O-])ccc21 ZINC000736837285 600488824 /nfs/dbraw/zinc/48/88/24/600488824.db2.gz LZGHMWYJTVZLKO-MNOVXSKESA-N -1 1 305.403 2.518 20 0 DFADMM CC[C@@](C)(NCC(=O)Nc1cccc2ccccc21)C(=O)[O-] ZINC000736862798 600561646 /nfs/dbraw/zinc/56/16/46/600561646.db2.gz GEICAGFGDXAMFP-QGZVFWFLSA-N -1 1 300.358 2.621 20 0 DFADMM C[C@@H]1C[C@@H](C)N(CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)C1 ZINC000736755138 600716098 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/nfs/dbraw/zinc/28/08/62/605280862.db2.gz RGUASQXCXHQLBT-RYUDHWBXSA-N -1 1 324.425 2.973 20 0 DFADMM Cc1csc([C@H]2CCCN2C[C@@H]2CC(C(=O)[O-])=C(C)O2)n1 ZINC000833586245 605330048 /nfs/dbraw/zinc/33/00/48/605330048.db2.gz XKUDXUOXSAUKNN-WCQYABFASA-N -1 1 308.403 2.736 20 0 DFADMM CC(C)N1CCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC000833498359 605369278 /nfs/dbraw/zinc/36/92/78/605369278.db2.gz GKROESCSLBBFGG-CQSZACIVSA-N -1 1 314.788 2.631 20 0 DFADMM Cc1nc2ccc(NC(=O)CC[C@@H]3CCN(C(=O)[O-])C3)cc2[nH]1 ZINC000833915815 605393923 /nfs/dbraw/zinc/39/39/23/605393923.db2.gz DVZGUPOIALIMNW-LLVKDONJSA-N -1 1 316.361 2.590 20 0 DFADMM COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1CC[C@H](C(C)(C)C)C1 ZINC000833702253 605429433 /nfs/dbraw/zinc/42/94/33/605429433.db2.gz RTXPBSOWTTYVKS-GJZGRUSLSA-N -1 1 319.401 2.967 20 0 DFADMM CC(C)c1noc([C@H](C)N2C[C@@H]3CCC[C@H](NC(=O)[O-])[C@@H]3C2)n1 ZINC000833800902 605455126 /nfs/dbraw/zinc/45/51/26/605455126.db2.gz YGMHUDKLWCKMQR-RVMXOQNASA-N -1 1 322.409 2.622 20 0 DFADMM O=C([O-])N[C@@H]1CCC[C@H]2CN(Cc3ccc(Cl)cn3)C[C@H]21 ZINC000834184947 605455973 /nfs/dbraw/zinc/45/59/73/605455973.db2.gz SIKCITISSXVZFI-ZLKJLUDKSA-N -1 1 309.797 2.603 20 0 DFADMM O=C([O-])NC1CCN(Cc2c(F)cccc2N2CCCC2)CC1 ZINC000834188918 605487364 /nfs/dbraw/zinc/48/73/64/605487364.db2.gz FDHBRXUVCOHSBU-UHFFFAOYSA-N -1 1 321.396 2.658 20 0 DFADMM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cn3cccc(F)c3n2)C1 ZINC000833420366 605552970 /nfs/dbraw/zinc/55/29/70/605552970.db2.gz QOENKERHUUUKQG-LBPRGKRZSA-N -1 1 319.380 2.796 20 0 DFADMM O=C([O-])NC[C@H]1CCCCN1Cc1cnc(-c2ccccc2)[nH]1 ZINC000834217340 605558128 /nfs/dbraw/zinc/55/81/28/605558128.db2.gz CZPJLTKHCYBGJU-OAHLLOKOSA-N -1 1 314.389 2.699 20 0 DFADMM O=C([O-])N1CC[C@H](c2ccccc2)[C@H](NCc2nccs2)C1 ZINC000834087995 605583133 /nfs/dbraw/zinc/58/31/33/605583133.db2.gz VHWFPDUYYSRFSK-ZIAGYGMSSA-N -1 1 317.414 2.769 20 0 DFADMM O=C([O-])N[C@@H](CC(=O)Nc1ccc2nc[nH]c2c1)c1ccccc1 ZINC000834130624 605599342 /nfs/dbraw/zinc/59/93/42/605599342.db2.gz 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/nfs/dbraw/zinc/77/69/78/605776978.db2.gz ZTRNHZUZFWSYBF-INIZCTEOSA-N -1 1 311.385 2.952 20 0 DFADMM O=C([O-])N[C@@H]1C[C@H](N[C@@H](CO)c2ccccc2)c2ccccc21 ZINC000834156492 605801522 /nfs/dbraw/zinc/80/15/22/605801522.db2.gz AWFSLAQEKGWDCO-BBWFWOEESA-N -1 1 312.369 2.763 20 0 DFADMM O=C([O-])N[C@H]1CCC[C@@H]1NCc1c(F)cccc1OC(F)F ZINC000834176320 605987584 /nfs/dbraw/zinc/98/75/84/605987584.db2.gz RZKBMNWSSUAKRZ-QWRGUYRKSA-N -1 1 318.295 2.705 20 0 DFADMM C[C@H]1[C@H](C)N(C(=O)[O-])CCN1Cc1cc2ccccc2[nH]c1=O ZINC000833827674 606042926 /nfs/dbraw/zinc/04/29/26/606042926.db2.gz LXFCUGLZWWJRRH-RYUDHWBXSA-N -1 1 315.373 2.513 20 0 DFADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2nc3c(s2)CCCC3)C1 ZINC000833816302 606069671 /nfs/dbraw/zinc/06/96/71/606069671.db2.gz ZAYVGTWQBFDWTG-NEPJUHHUSA-N -1 1 323.462 2.890 20 0 DFADMM C[C@H]1CC(OC(=O)c2ccc(-c3nnn[n-]3)s2)C[C@H](C)C1 ZINC000820650918 606179992 /nfs/dbraw/zinc/17/99/92/606179992.db2.gz YXXRSFKMOKTARH-RKDXNWHRSA-N -1 1 306.391 2.910 20 0 DFADMM C[C@H]1CC(OC(=O)c2ccc(-c3nn[n-]n3)s2)C[C@H](C)C1 ZINC000820650918 606179993 /nfs/dbraw/zinc/17/99/93/606179993.db2.gz YXXRSFKMOKTARH-RKDXNWHRSA-N -1 1 306.391 2.910 20 0 DFADMM Cc1nsc(N(C)C(=O)CC2CCCCC2)c1-c1nnn[n-]1 ZINC000822530626 606238718 /nfs/dbraw/zinc/23/87/18/606238718.db2.gz KBGBKKHHYZDNBQ-UHFFFAOYSA-N -1 1 320.422 2.565 20 0 DFADMM Cc1nsc(N(C)C(=O)CC2CCCCC2)c1-c1nn[n-]n1 ZINC000822530626 606238720 /nfs/dbraw/zinc/23/87/20/606238720.db2.gz KBGBKKHHYZDNBQ-UHFFFAOYSA-N -1 1 320.422 2.565 20 0 DFADMM CCS[C@H]1CCC[C@@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC000821456603 606401207 /nfs/dbraw/zinc/40/12/07/606401207.db2.gz QTDGWJDSRWBHAY-MNOVXSKESA-N -1 1 304.423 2.738 20 0 DFADMM CCS[C@H]1CCC[C@@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC000821456603 606401209 /nfs/dbraw/zinc/40/12/09/606401209.db2.gz QTDGWJDSRWBHAY-MNOVXSKESA-N -1 1 304.423 2.738 20 0 DFADMM C[C@H]1CCCC[C@@H]1N(C)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820703314 606449572 /nfs/dbraw/zinc/44/95/72/606449572.db2.gz DPVDWHGLWLIYCK-ONGXEEELSA-N -1 1 306.801 2.930 20 0 DFADMM C[C@H]1CCCC[C@@H]1N(C)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820703314 606449574 /nfs/dbraw/zinc/44/95/74/606449574.db2.gz DPVDWHGLWLIYCK-ONGXEEELSA-N -1 1 306.801 2.930 20 0 DFADMM C[C@@H]1CCC[C@@H](C)N(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000820696732 606467835 /nfs/dbraw/zinc/46/78/35/606467835.db2.gz BQPDHUOXIHKLRX-NXEZZACHSA-N -1 1 306.801 2.930 20 0 DFADMM C[C@@H]1CCC[C@@H](C)N(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000820696732 606467837 /nfs/dbraw/zinc/46/78/37/606467837.db2.gz BQPDHUOXIHKLRX-NXEZZACHSA-N -1 1 306.801 2.930 20 0 DFADMM CCSCC[C@H](C)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821462139 606471188 /nfs/dbraw/zinc/47/11/88/606471188.db2.gz WGQATSQEFHLMIA-QMMMGPOBSA-N -1 1 312.830 2.859 20 0 DFADMM CCSCC[C@H](C)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821462139 606471190 /nfs/dbraw/zinc/47/11/90/606471190.db2.gz WGQATSQEFHLMIA-QMMMGPOBSA-N -1 1 312.830 2.859 20 0 DFADMM CCSCC[C@@H](C)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821462137 606471247 /nfs/dbraw/zinc/47/12/47/606471247.db2.gz WGQATSQEFHLMIA-MRVPVSSYSA-N -1 1 312.830 2.859 20 0 DFADMM CCSCC[C@@H](C)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821462137 606471248 /nfs/dbraw/zinc/47/12/48/606471248.db2.gz WGQATSQEFHLMIA-MRVPVSSYSA-N -1 1 312.830 2.859 20 0 DFADMM CCOc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821421885 606485592 /nfs/dbraw/zinc/48/55/92/606485592.db2.gz HPCRGDSWGQYXNK-UHFFFAOYSA-N -1 1 315.358 2.579 20 0 DFADMM CCOc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821421885 606485593 /nfs/dbraw/zinc/48/55/93/606485593.db2.gz HPCRGDSWGQYXNK-UHFFFAOYSA-N -1 1 315.358 2.579 20 0 DFADMM O=C(Nc1ccc(Cl)cc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000823331928 606487984 /nfs/dbraw/zinc/48/79/84/606487984.db2.gz ITYLDOCUBXDVBV-UHFFFAOYSA-N -1 1 323.740 2.973 20 0 DFADMM O=C(Nc1ccc(Cl)cc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000823331928 606487985 /nfs/dbraw/zinc/48/79/85/606487985.db2.gz ITYLDOCUBXDVBV-UHFFFAOYSA-N -1 1 323.740 2.973 20 0 DFADMM O=C(OCc1ccccc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000823430223 606488448 /nfs/dbraw/zinc/48/84/48/606488448.db2.gz IGYIQSXIPUMDHF-UHFFFAOYSA-N -1 1 320.761 2.939 20 0 DFADMM O=C(OCc1ccccc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000823430223 606488451 /nfs/dbraw/zinc/48/84/51/606488451.db2.gz IGYIQSXIPUMDHF-UHFFFAOYSA-N -1 1 320.761 2.939 20 0 DFADMM O=C(Nc1ccc(Cl)c(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823332968 606514390 /nfs/dbraw/zinc/51/43/90/606514390.db2.gz WEFGQAIXOYWZAM-UHFFFAOYSA-N -1 1 323.740 2.973 20 0 DFADMM O=C(Nc1ccc(Cl)c(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823332968 606514391 /nfs/dbraw/zinc/51/43/91/606514391.db2.gz WEFGQAIXOYWZAM-UHFFFAOYSA-N -1 1 323.740 2.973 20 0 DFADMM C[C@@H](c1cccs1)N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820570233 606526788 /nfs/dbraw/zinc/52/67/88/606526788.db2.gz DZXNSHVWUHGPQQ-QMMMGPOBSA-N -1 1 319.415 2.823 20 0 DFADMM C[C@@H](c1cccs1)N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820570233 606526790 /nfs/dbraw/zinc/52/67/90/606526790.db2.gz DZXNSHVWUHGPQQ-QMMMGPOBSA-N -1 1 319.415 2.823 20 0 DFADMM CC(C)[C@H]1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820037510 606550275 /nfs/dbraw/zinc/55/02/75/606550275.db2.gz CMGYMKNVQQIMMV-QWRGUYRKSA-N -1 1 319.434 2.873 20 0 DFADMM CC(C)[C@H]1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820037510 606550276 /nfs/dbraw/zinc/55/02/76/606550276.db2.gz CMGYMKNVQQIMMV-QWRGUYRKSA-N -1 1 319.434 2.873 20 0 DFADMM CC[C@H](C)[C@H](C)N(C(=O)c1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC000820862192 606552136 /nfs/dbraw/zinc/55/21/36/606552136.db2.gz PRRDIURJCUZQRB-UWVGGRQHSA-N -1 1 319.434 2.967 20 0 DFADMM CC[C@H](C)[C@H](C)N(C(=O)c1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC000820862192 606552137 /nfs/dbraw/zinc/55/21/37/606552137.db2.gz PRRDIURJCUZQRB-UWVGGRQHSA-N -1 1 319.434 2.967 20 0 DFADMM CC[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000820981344 606564979 /nfs/dbraw/zinc/56/49/79/606564979.db2.gz RMUUVBHNHULWIM-JTQLQIEISA-N -1 1 305.407 2.581 20 0 DFADMM CC[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000820981344 606564980 /nfs/dbraw/zinc/56/49/80/606564980.db2.gz RMUUVBHNHULWIM-JTQLQIEISA-N -1 1 305.407 2.581 20 0 DFADMM CC[C@@H]1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820972376 606571250 /nfs/dbraw/zinc/57/12/50/606571250.db2.gz NUKXOTBFTGDMTL-ZJUUUORDSA-N -1 1 305.407 2.627 20 0 DFADMM CC[C@@H]1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820972376 606571252 /nfs/dbraw/zinc/57/12/52/606571252.db2.gz NUKXOTBFTGDMTL-ZJUUUORDSA-N -1 1 305.407 2.627 20 0 DFADMM C[C@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)C1CCOCC1 ZINC000820451057 606790966 /nfs/dbraw/zinc/79/09/66/606790966.db2.gz SAJPRFBFBRSIMD-NSHDSACASA-N -1 1 324.388 2.642 20 0 DFADMM C[C@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)C1CCOCC1 ZINC000820451057 606790968 /nfs/dbraw/zinc/79/09/68/606790968.db2.gz SAJPRFBFBRSIMD-NSHDSACASA-N -1 1 324.388 2.642 20 0 DFADMM CC(C)C[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820063582 606878818 /nfs/dbraw/zinc/87/88/18/606878818.db2.gz XAIJHMHBSJBEOR-LLVKDONJSA-N -1 1 319.434 2.969 20 0 DFADMM CC(C)C[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820063582 606878820 /nfs/dbraw/zinc/87/88/20/606878820.db2.gz XAIJHMHBSJBEOR-LLVKDONJSA-N -1 1 319.434 2.969 20 0 DFADMM C[C@@]1(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)CCCS1 ZINC000820623647 606946191 /nfs/dbraw/zinc/94/61/91/606946191.db2.gz VOMPZUCAISJXBX-LBPRGKRZSA-N -1 1 310.814 2.613 20 0 DFADMM C[C@@]1(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)CCCS1 ZINC000820623647 606946190 /nfs/dbraw/zinc/94/61/90/606946190.db2.gz VOMPZUCAISJXBX-LBPRGKRZSA-N -1 1 310.814 2.613 20 0 DFADMM CC(C)CCn1ccc(NCc2ccc(-c3nn[n-]n3)s2)n1 ZINC000820081777 607007405 /nfs/dbraw/zinc/00/74/05/607007405.db2.gz VFMVYSSCSAPNTD-UHFFFAOYSA-N -1 1 317.422 2.783 20 0 DFADMM C1=C(CCNc2c3ccccc3nnc2-c2nnn[n-]2)CCC1 ZINC000823868378 607808967 /nfs/dbraw/zinc/80/89/67/607808967.db2.gz YVMKEPJPFXOXTI-UHFFFAOYSA-N -1 1 307.361 2.722 20 0 DFADMM C1=C(CCNc2c3ccccc3nnc2-c2nn[n-]n2)CCC1 ZINC000823868378 607808968 /nfs/dbraw/zinc/80/89/68/607808968.db2.gz YVMKEPJPFXOXTI-UHFFFAOYSA-N -1 1 307.361 2.722 20 0 DFADMM Cc1cccn2cc(COc3cccc(F)c3-c3nnn[n-]3)nc12 ZINC000826308422 607867199 /nfs/dbraw/zinc/86/71/99/607867199.db2.gz YTGBCDRMWUJFKU-UHFFFAOYSA-N -1 1 324.319 2.541 20 0 DFADMM Cc1cccn2cc(COc3cccc(F)c3-c3nn[n-]n3)nc12 ZINC000826308422 607867200 /nfs/dbraw/zinc/86/72/00/607867200.db2.gz YTGBCDRMWUJFKU-UHFFFAOYSA-N -1 1 324.319 2.541 20 0 DFADMM CC1(C)Cc2cccc(Oc3cccc(-c4nnn[n-]4)n3)c2O1 ZINC000824812794 607894566 /nfs/dbraw/zinc/89/45/66/607894566.db2.gz QZBDPYWCSLBVPS-UHFFFAOYSA-N -1 1 309.329 2.768 20 0 DFADMM CC1(C)Cc2cccc(Oc3cccc(-c4nn[n-]n4)n3)c2O1 ZINC000824812794 607894567 /nfs/dbraw/zinc/89/45/67/607894567.db2.gz QZBDPYWCSLBVPS-UHFFFAOYSA-N -1 1 309.329 2.768 20 0 DFADMM CC(C)CN(Cc1ccccc1)c1cccc(-c2nnn[n-]2)n1 ZINC000824261817 607897634 /nfs/dbraw/zinc/89/76/34/607897634.db2.gz QZWMWBQHFNUTCO-UHFFFAOYSA-N -1 1 308.389 2.924 20 0 DFADMM CC(C)CN(Cc1ccccc1)c1cccc(-c2nn[n-]n2)n1 ZINC000824261817 607897635 /nfs/dbraw/zinc/89/76/35/607897635.db2.gz QZWMWBQHFNUTCO-UHFFFAOYSA-N -1 1 308.389 2.924 20 0 DFADMM Cc1ccc([C@H]2CCCCN2c2cccc(-c3nnn[n-]3)n2)o1 ZINC000826285636 607900073 /nfs/dbraw/zinc/90/00/73/607900073.db2.gz FNCAKBDBNLOPNB-CYBMUJFWSA-N -1 1 310.361 2.895 20 0 DFADMM Cc1ccc([C@H]2CCCCN2c2cccc(-c3nn[n-]n3)n2)o1 ZINC000826285636 607900074 /nfs/dbraw/zinc/90/00/74/607900074.db2.gz FNCAKBDBNLOPNB-CYBMUJFWSA-N -1 1 310.361 2.895 20 0 DFADMM CC[C@@H](CSC)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825128094 608296926 /nfs/dbraw/zinc/29/69/26/608296926.db2.gz QPMWZAOBEIIPLP-LURJTMIESA-N -1 1 318.859 2.554 20 0 DFADMM CC[C@@H](CSC)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825128094 608296928 /nfs/dbraw/zinc/29/69/28/608296928.db2.gz QPMWZAOBEIIPLP-LURJTMIESA-N -1 1 318.859 2.554 20 0 DFADMM Fc1ccc(Sc2ccc(-c3nnn[n-]3)nn2)cc1Cl ZINC000826375774 608391953 /nfs/dbraw/zinc/39/19/53/608391953.db2.gz BCTHELOKBIAHCT-UHFFFAOYSA-N -1 1 308.729 2.600 20 0 DFADMM Fc1ccc(Sc2ccc(-c3nn[n-]n3)nn2)cc1Cl ZINC000826375774 608391955 /nfs/dbraw/zinc/39/19/55/608391955.db2.gz BCTHELOKBIAHCT-UHFFFAOYSA-N -1 1 308.729 2.600 20 0 DFADMM CC(C)(C)[C@@H]1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000824077990 608404442 /nfs/dbraw/zinc/40/44/42/608404442.db2.gz GVGXJWGKTDKKJE-NWDGAFQWSA-N -1 1 315.425 2.921 20 0 DFADMM CC(C)(C)[C@@H]1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000824077990 608404443 /nfs/dbraw/zinc/40/44/43/608404443.db2.gz GVGXJWGKTDKKJE-NWDGAFQWSA-N -1 1 315.425 2.921 20 0 DFADMM c1ccc([C@H]2CCCC[C@H]2Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826521109 608405943 /nfs/dbraw/zinc/40/59/43/608405943.db2.gz ZSUSXMDBDLVYCZ-ZIAGYGMSSA-N -1 1 321.388 2.795 20 0 DFADMM c1ccc([C@H]2CCCC[C@H]2Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826521109 608405944 /nfs/dbraw/zinc/40/59/44/608405944.db2.gz ZSUSXMDBDLVYCZ-ZIAGYGMSSA-N -1 1 321.388 2.795 20 0 DFADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(F)cc1Cl ZINC000824655015 608421129 /nfs/dbraw/zinc/42/11/29/608421129.db2.gz ASWJBJVLUJZUKB-ZETCQYMHSA-N -1 1 319.731 2.622 20 0 DFADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(F)cc1Cl ZINC000824655015 608421130 /nfs/dbraw/zinc/42/11/30/608421130.db2.gz ASWJBJVLUJZUKB-ZETCQYMHSA-N -1 1 319.731 2.622 20 0 DFADMM Cc1cccc([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)c1C ZINC000826297778 608423225 /nfs/dbraw/zinc/42/32/25/608423225.db2.gz RTDMMGOJULYZBX-HNNXBMFYSA-N -1 1 321.388 2.615 20 0 DFADMM Cc1cccc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)c1C ZINC000826297778 608423227 /nfs/dbraw/zinc/42/32/27/608423227.db2.gz RTDMMGOJULYZBX-HNNXBMFYSA-N -1 1 321.388 2.615 20 0 DFADMM Cc1cccc([C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)c1C ZINC000826297779 608423732 /nfs/dbraw/zinc/42/37/32/608423732.db2.gz RTDMMGOJULYZBX-OAHLLOKOSA-N -1 1 321.388 2.615 20 0 DFADMM Cc1cccc([C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)c1C ZINC000826297779 608423733 /nfs/dbraw/zinc/42/37/33/608423733.db2.gz RTDMMGOJULYZBX-OAHLLOKOSA-N -1 1 321.388 2.615 20 0 DFADMM CCC1(CC)CN(c2ccc(-c3nnn[n-]3)nn2)c2ccccc21 ZINC000825170916 608436992 /nfs/dbraw/zinc/43/69/92/608436992.db2.gz JUUZPHJTNBAIOT-UHFFFAOYSA-N -1 1 321.388 2.866 20 0 DFADMM CCC1(CC)CN(c2ccc(-c3nn[n-]n3)nn2)c2ccccc21 ZINC000825170916 608436993 /nfs/dbraw/zinc/43/69/93/608436993.db2.gz JUUZPHJTNBAIOT-UHFFFAOYSA-N -1 1 321.388 2.866 20 0 DFADMM O=C(Oc1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000826468004 608673229 /nfs/dbraw/zinc/67/32/29/608673229.db2.gz VJZJDBVTNXCWKQ-UHFFFAOYSA-N -1 1 324.724 2.940 20 0 DFADMM O=C(Oc1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000826468004 608673230 /nfs/dbraw/zinc/67/32/30/608673230.db2.gz VJZJDBVTNXCWKQ-UHFFFAOYSA-N -1 1 324.724 2.940 20 0 DFADMM CC(C)(C)c1cc(NC(=O)C2=CCC2)c(-c2nnn[n-]2)s1 ZINC000824130194 609600638 /nfs/dbraw/zinc/60/06/38/609600638.db2.gz ISJKFAJGFHQMGL-UHFFFAOYSA-N -1 1 303.391 2.884 20 0 DFADMM CC(C)(C)c1cc(NC(=O)C2=CCC2)c(-c2nn[n-]n2)s1 ZINC000824130194 609600640 /nfs/dbraw/zinc/60/06/40/609600640.db2.gz ISJKFAJGFHQMGL-UHFFFAOYSA-N -1 1 303.391 2.884 20 0 DFADMM CC(C)CCC(=O)NCc1nc(-c2ccc([O-])cc2F)no1 ZINC000278258149 214051701 /nfs/dbraw/zinc/05/17/01/214051701.db2.gz UMXUNNGVAMSLGG-UHFFFAOYSA-N -1 1 307.325 2.634 20 0 DFADMM CCCCCc1ccc(C(=O)CCC(=O)Nc2nnn[n-]2)cc1 ZINC000076963387 185061625 /nfs/dbraw/zinc/06/16/25/185061625.db2.gz SCUCRPOQSKCMPQ-UHFFFAOYSA-N -1 1 315.377 2.534 20 0 DFADMM CCCCCc1ccc(C(=O)CCC(=O)Nc2nn[n-]n2)cc1 ZINC000076963387 185061627 /nfs/dbraw/zinc/06/16/27/185061627.db2.gz SCUCRPOQSKCMPQ-UHFFFAOYSA-N -1 1 315.377 2.534 20 0 DFADMM CCc1ccccc1CNC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000081850023 192331942 /nfs/dbraw/zinc/33/19/42/192331942.db2.gz FEINWBADNRIVFV-UHFFFAOYSA-N -1 1 317.414 2.705 20 0 DFADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)cc1Cl ZINC000078967903 185137154 /nfs/dbraw/zinc/13/71/54/185137154.db2.gz WHLFWPLWYJYPPD-UHFFFAOYSA-N -1 1 324.789 2.548 20 0 DFADMM CC[C@@H]1CN(Cc2cccc([O-])c2Cl)C[C@@H](C)[S@]1=O ZINC000294824891 529397615 /nfs/dbraw/zinc/39/76/15/529397615.db2.gz XYAIICQWHJYKGK-WLCUFGOBSA-N -1 1 301.839 2.777 20 0 DFADMM CC[C@]1(C)CCN(C(=O)CCc2c(C)nc(SC)[n-]c2=O)C1 ZINC000330981329 529398041 /nfs/dbraw/zinc/39/80/41/529398041.db2.gz JEIXARSOBIHBOK-MRXNPFEDSA-N -1 1 323.462 2.794 20 0 DFADMM CC[C@@H](C)C[C@@H](C)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000081952331 192345738 /nfs/dbraw/zinc/34/57/38/192345738.db2.gz KNHIOVRJBSVMEV-GHMZBOCLSA-N -1 1 307.438 2.930 20 0 DFADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)N(C)c1ccccc1 ZINC000065834165 398347230 /nfs/dbraw/zinc/34/72/30/398347230.db2.gz DVXVXXVNVBSYOQ-UHFFFAOYSA-N -1 1 318.398 2.725 20 0 DFADMM COCCCN(C)Cc1ccc(C(=O)[O-])cc1Br ZINC000226729380 398352232 /nfs/dbraw/zinc/35/22/32/398352232.db2.gz MCFPMYYZJHRHCP-UHFFFAOYSA-N -1 1 316.195 2.616 20 0 DFADMM C[C@H](c1cccs1)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000127743038 282955976 /nfs/dbraw/zinc/95/59/76/282955976.db2.gz NKBCQILZQLQATF-SNVBAGLBSA-N -1 1 313.382 2.818 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1C[C@@H]2CCCCC[C@@H]21 ZINC000363595514 295689644 /nfs/dbraw/zinc/68/96/44/295689644.db2.gz QJNBRDVCWSMSJD-QWRGUYRKSA-N -1 1 307.419 2.617 20 0 DFADMM Cn1c(CNC(=O)C[C@@H]2CCCc3ccccc32)n[n-]c1=S ZINC000066625492 398388845 /nfs/dbraw/zinc/38/88/45/398388845.db2.gz HTJKZOCNEPONAM-LBPRGKRZSA-N -1 1 316.430 2.604 20 0 DFADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc2c(c1)ncn2C ZINC000083577506 398388738 /nfs/dbraw/zinc/38/87/38/398388738.db2.gz NTTLDOJAYQTLKM-UHFFFAOYSA-N -1 1 319.361 2.822 20 0 DFADMM CCO[C@H]1C[C@@H](N(C)C(=O)c2cc(F)ccc2[O-])C12CCC2 ZINC000092756585 185338340 /nfs/dbraw/zinc/33/83/40/185338340.db2.gz ZGNNPSKNUKIGME-CABCVRRESA-N -1 1 307.365 2.951 20 0 DFADMM CCc1cccc(C)c1NC(=O)NCCn1c(C)n[n-]c1=S ZINC000084293650 398397091 /nfs/dbraw/zinc/39/70/91/398397091.db2.gz NJFGKJCFFSTQCS-UHFFFAOYSA-N -1 1 319.434 2.942 20 0 DFADMM Cc1n[n-]c(=S)n1CCNC(=O)Nc1cccc(F)c1C ZINC000084334316 398397982 /nfs/dbraw/zinc/39/79/82/398397982.db2.gz DKYVPNPUCIKVIX-UHFFFAOYSA-N -1 1 309.370 2.518 20 0 DFADMM O=C([O-])CCCCN1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000181548719 199316041 /nfs/dbraw/zinc/31/60/41/199316041.db2.gz VQZRRZGVJYTKID-UHFFFAOYSA-N -1 1 324.465 2.746 20 0 DFADMM O=C(NCc1nccn1C(F)F)c1cc(Cl)ccc1[O-] ZINC000127925182 282962447 /nfs/dbraw/zinc/96/24/47/282962447.db2.gz KPBKWDXKPXMDIV-UHFFFAOYSA-N -1 1 301.680 2.567 20 0 DFADMM CC(C)(O)[C@@H]1CCCN1Cc1cccc(O)c1Br ZINC000459473264 299115306 /nfs/dbraw/zinc/11/53/06/299115306.db2.gz BLCSMASZRIRQAE-LBPRGKRZSA-N -1 1 314.223 2.890 20 0 DFADMM Cc1nc(S[C@@H]2CCCN(CC(C)(C)C)C2=O)[n-]c(=O)c1C ZINC000330892476 232141967 /nfs/dbraw/zinc/14/19/67/232141967.db2.gz ISNBDRCEYLLVRB-GFCCVEGCSA-N -1 1 323.462 2.928 20 0 DFADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)c(C)c1 ZINC000050530385 282394335 /nfs/dbraw/zinc/39/43/35/282394335.db2.gz OVFKFJPORYPRNU-UHFFFAOYSA-N -1 1 319.382 2.891 20 0 DFADMM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCc2ccc(C)cc21 ZINC000592821538 398490298 /nfs/dbraw/zinc/49/02/98/398490298.db2.gz NYFWHYZWLFSLQN-CQSZACIVSA-N -1 1 306.387 2.566 20 0 DFADMM C[C@@H]1CN(Cc2ccc(Br)o2)CC[C@@H]1C(=O)[O-] ZINC000304386213 398503450 /nfs/dbraw/zinc/50/34/50/398503450.db2.gz LQESOGYZCNZLNI-SCZZXKLOSA-N -1 1 302.168 2.585 20 0 DFADMM Cc1noc([N-]C(=O)c2cnc(-c3ccccc3F)s2)n1 ZINC000063094341 282452457 /nfs/dbraw/zinc/45/24/57/282452457.db2.gz ACTCCKNSLUJHOD-UHFFFAOYSA-N -1 1 304.306 2.893 20 0 DFADMM CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)c2ccc([O-])cc2F)C1 ZINC000592942208 398510330 /nfs/dbraw/zinc/51/03/30/398510330.db2.gz LAKBXBBIRLUOKZ-MNOVXSKESA-N -1 1 323.364 2.772 20 0 DFADMM Cn1ncc2c1CCC[C@H]2NC(=O)c1cc(Cl)ccc1[O-] ZINC000031592106 398519204 /nfs/dbraw/zinc/51/92/04/398519204.db2.gz IUZLNOXMKQNPTH-GFCCVEGCSA-N -1 1 305.765 2.587 20 0 DFADMM COc1cc(C(=O)NC[C@@H]2C[C@H](C)O[C@H]2C)cc(Cl)c1[O-] ZINC000414000915 295756336 /nfs/dbraw/zinc/75/63/36/295756336.db2.gz FGGUREQCKVYYKP-QXEWZRGKSA-N -1 1 313.781 2.598 20 0 DFADMM C[C@H]1[C@H](CO)CCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000414047171 295760975 /nfs/dbraw/zinc/76/09/75/295760975.db2.gz YIGZTIVYZRIYBA-UWVGGRQHSA-N -1 1 317.307 2.644 20 0 DFADMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)ccc1F ZINC000074982982 282546168 /nfs/dbraw/zinc/54/61/68/282546168.db2.gz CPJJFMWBQJEZEQ-UHFFFAOYSA-N -1 1 309.318 2.664 20 0 DFADMM CCCSCC(=O)Nc1nc(Br)ccc1[O-] ZINC000121525112 185813191 /nfs/dbraw/zinc/81/31/91/185813191.db2.gz XFOLPNUNHSUCRD-UHFFFAOYSA-N -1 1 305.197 2.631 20 0 DFADMM CC(C)c1noc(CCCNC(=O)c2cc(Cl)ccc2[O-])n1 ZINC000068989325 398542062 /nfs/dbraw/zinc/54/20/62/398542062.db2.gz SFIWGYSIXKCMCL-UHFFFAOYSA-N -1 1 323.780 2.915 20 0 DFADMM O=S(=O)([N-]CC1CCCCC1)c1ccc(F)c(F)c1F ZINC000069099663 398549229 /nfs/dbraw/zinc/54/92/29/398549229.db2.gz BFVKAHPPKQCJOT-UHFFFAOYSA-N -1 1 307.337 2.963 20 0 DFADMM O=C([O-])[C@@H]1Cc2ccccc2CN1Cc1ccccc1[N+](=O)[O-] ZINC000320711721 398548600 /nfs/dbraw/zinc/54/86/00/398548600.db2.gz HDBRTRLHHREBEZ-INIZCTEOSA-N -1 1 312.325 2.606 20 0 DFADMM CCOc1cccc([N-]S(=O)(=O)c2cccc(OC)c2)c1 ZINC000589434197 398551907 /nfs/dbraw/zinc/55/19/07/398551907.db2.gz KQDWVELFZNXCLS-UHFFFAOYSA-N -1 1 307.371 2.895 20 0 DFADMM NC(=O)c1ccc(CNC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000036727966 398554148 /nfs/dbraw/zinc/55/41/48/398554148.db2.gz COMGWQPCXLGOPI-UHFFFAOYSA-N -1 1 320.348 2.574 20 0 DFADMM CCc1ccc([C@H](C)C(=O)Nc2nc(-c3ccco3)n[n-]2)cc1 ZINC000069374701 398568025 /nfs/dbraw/zinc/56/80/25/398568025.db2.gz AQLOXWKHMKOGDP-NSHDSACASA-N -1 1 310.357 2.791 20 0 DFADMM CC(C)(CC(=O)Nc1n[n-]c(C(F)(F)F)n1)C(F)(F)F ZINC000279943155 215258282 /nfs/dbraw/zinc/25/82/82/215258282.db2.gz HFJHPFUOPOCFJT-UHFFFAOYSA-N -1 1 304.194 2.741 20 0 DFADMM O=C([O-])C[C@@H]1CCCN1Cc1csc(-c2ccccn2)n1 ZINC000042162971 398585510 /nfs/dbraw/zinc/58/55/10/398585510.db2.gz USMDQTUOFMZCBA-LBPRGKRZSA-N -1 1 303.387 2.644 20 0 DFADMM O=C(Nc1cc(Cl)c([O-])cc1F)[C@H](C1CC1)N1CCCC1 ZINC000287079161 219300463 /nfs/dbraw/zinc/30/04/63/219300463.db2.gz VXTOWHOQFMKLRW-AWEZNQCLSA-N -1 1 312.772 2.998 20 0 DFADMM O=C(Nc1cc(Cl)c([O-])cc1F)[C@@H](C1CC1)N1CCCC1 ZINC000287079167 219301143 /nfs/dbraw/zinc/30/11/43/219301143.db2.gz VXTOWHOQFMKLRW-CQSZACIVSA-N -1 1 312.772 2.998 20 0 DFADMM Cc1ccc([C@H]2OCCC[C@H]2NC(=O)c2ncccc2[O-])cc1 ZINC000331384120 233254046 /nfs/dbraw/zinc/25/40/46/233254046.db2.gz 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543079076 /nfs/dbraw/zinc/07/90/76/543079076.db2.gz OPLOITGMDOPQDM-GXTWGEPZSA-N -1 1 300.358 2.884 20 0 DFADMM O=C([O-])c1ccc2c(c1)CN(CCc1ccc3c(c1)CCO3)C2 ZINC000322027889 543088027 /nfs/dbraw/zinc/08/80/27/543088027.db2.gz QESHMDFSYDBMKK-UHFFFAOYSA-N -1 1 309.365 2.878 20 0 DFADMM COc1cccc2c1OCC[C@@H]2NC(=O)c1c([O-])cccc1F ZINC000681229000 545614274 /nfs/dbraw/zinc/61/42/74/545614274.db2.gz PTJTZCVBHCTPRL-LBPRGKRZSA-N -1 1 317.316 2.794 20 0 DFADMM [O-]c1ccc(-c2nc([C@@H]3CN4CCCC[C@@H]4CO3)no2)c(F)c1 ZINC000350576753 543206897 /nfs/dbraw/zinc/20/68/97/543206897.db2.gz ILILWUHNJBBPLF-YGRLFVJLSA-N -1 1 319.336 2.507 20 0 DFADMM COC[C@@H](C)Cc1noc(-c2cc(Cl)c([O-])c(OC)c2)n1 ZINC000351476456 543224562 /nfs/dbraw/zinc/22/45/62/543224562.db2.gz MQAUDMBLMNGFBM-QMMMGPOBSA-N -1 1 312.753 2.929 20 0 DFADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3C[C@@H]32)c(F)c1 ZINC000425192261 296558215 /nfs/dbraw/zinc/55/82/15/296558215.db2.gz YPECXGSJSBDBOP-GBIKHYSHSA-N -1 1 301.358 2.740 20 0 DFADMM CCC[C@]1([N-]S(=O)(=O)c2c(F)cc(C)cc2F)CCOC1 ZINC000425227334 296559910 /nfs/dbraw/zinc/55/99/10/296559910.db2.gz GGBSZYOLJVNOHZ-AWEZNQCLSA-N -1 1 319.373 2.511 20 0 DFADMM O=C(CCn1cc(Cl)cn1)Nc1ccc([O-])c(Cl)c1 ZINC000349250019 285817038 /nfs/dbraw/zinc/81/70/38/285817038.db2.gz SDYNDTCJAASZNY-UHFFFAOYSA-N -1 1 300.145 2.924 20 0 DFADMM Cc1cn2cc(C(=O)[N-]c3nnc(C(F)F)s3)sc2n1 ZINC000349323569 285833096 /nfs/dbraw/zinc/83/30/96/285833096.db2.gz DVLIRZOUEMBLOY-UHFFFAOYSA-N -1 1 315.330 2.746 20 0 DFADMM C[C@@H]1SCC[C@H]1NC(=O)c1ccc(Br)c([O-])c1 ZINC000383650868 543298677 /nfs/dbraw/zinc/29/86/77/543298677.db2.gz JFHWSPYHPGPJCZ-OIBJUYFYSA-N -1 1 316.220 2.779 20 0 DFADMM C[C@@H]1CN(Cc2coc(-c3cccs3)n2)CC[C@@H]1C(=O)[O-] ZINC000385860653 543300868 /nfs/dbraw/zinc/30/08/68/543300868.db2.gz JLKTXSRUUDTKLN-PWSUYJOCSA-N -1 1 306.387 2.946 20 0 DFADMM O=C([O-])C[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000391072028 543308025 /nfs/dbraw/zinc/30/80/25/543308025.db2.gz WDKLMSWHYUBQKF-CYBMUJFWSA-N -1 1 313.357 2.546 20 0 DFADMM O=C([O-])[C@H]1CCCN(Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000164670577 145224658 /nfs/dbraw/zinc/22/46/58/145224658.db2.gz ABYXMIUVPPCKKH-LBPRGKRZSA-N -1 1 304.321 2.777 20 0 DFADMM Cc1cccc2c(=O)c(C(=O)N[C@@H](C)C3CCOCC3)c[nH]c12 ZINC000164939788 145228013 /nfs/dbraw/zinc/22/80/13/145228013.db2.gz KPWQOMPAGBTHMJ-LBPRGKRZSA-N -1 1 314.385 2.794 20 0 DFADMM Cc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)c2cnn(C)c2n1 ZINC000175018784 145395929 /nfs/dbraw/zinc/39/59/29/145395929.db2.gz XDIWLRWMNWGXIC-UHFFFAOYSA-N -1 1 316.748 2.888 20 0 DFADMM O=C(CCc1nn[n-]n1)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000633333176 399887501 /nfs/dbraw/zinc/88/75/01/399887501.db2.gz GXUBMFYIBJPSHG-ZDUSSCGKSA-N -1 1 319.796 2.540 20 0 DFADMM O=C(Nc1ccc([O-])c(F)c1F)c1ccnn1CC1CCC1 ZINC000633362188 399892418 /nfs/dbraw/zinc/89/24/18/399892418.db2.gz WLHCMPPTTMIEGH-UHFFFAOYSA-N -1 1 307.300 2.919 20 0 DFADMM C[C@@H]1CCn2cc(C(=O)Nc3ccc([O-])c(F)c3F)nc2C1 ZINC000633361840 399892524 /nfs/dbraw/zinc/89/25/24/399892524.db2.gz NSTKWOKIFCISCL-MRVPVSSYSA-N -1 1 307.300 2.702 20 0 DFADMM CC(C)Sc1ccc([C@H](C)NC(=O)CCc2nn[n-]n2)cc1 ZINC000630925016 399948366 /nfs/dbraw/zinc/94/83/66/399948366.db2.gz ZUHOXWCTIDYIGB-NSHDSACASA-N -1 1 319.434 2.510 20 0 DFADMM Cc1nc(S[C@H](C)C(=O)N(C)C(C)C)[n-]c(=O)c1C1CC1 ZINC000631023924 399964260 /nfs/dbraw/zinc/96/42/60/399964260.db2.gz HQGVZJZMAGZGAD-SNVBAGLBSA-N -1 1 309.435 2.715 20 0 DFADMM Cc1nc(S[C@@H](C)C(=O)NC2CCCC2)[n-]c(=O)c1C1CC1 ZINC000631025376 399964758 /nfs/dbraw/zinc/96/47/58/399964758.db2.gz RZJIWDSVPKANMS-JTQLQIEISA-N -1 1 321.446 2.907 20 0 DFADMM CCOc1cc(C(=O)N[C@@H]2C[C@H](C)O[C@H]2C)cc(Cl)c1[O-] ZINC000634012520 399972232 /nfs/dbraw/zinc/97/22/32/399972232.db2.gz DJMTUZLHVHEBGQ-HOTUBEGUSA-N -1 1 313.781 2.740 20 0 DFADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CC[C@@]2(CC2(F)F)C1 ZINC000633580689 399920233 /nfs/dbraw/zinc/92/02/33/399920233.db2.gz GAGCMBDJOMQJLW-CYBMUJFWSA-N -1 1 301.720 2.846 20 0 DFADMM C[C@@H]1CCCN(C(=O)Cc2ccc([O-])c(Cl)c2)[C@@H]1CCO ZINC000633621391 399926312 /nfs/dbraw/zinc/92/63/12/399926312.db2.gz PKZUOJYZWJHPQA-BXUZGUMPSA-N -1 1 311.809 2.598 20 0 DFADMM C[C@H]1CCCN(C(=O)Cc2ccc([O-])c(Cl)c2)[C@@H]1CCO ZINC000633621394 399926319 /nfs/dbraw/zinc/92/63/19/399926319.db2.gz PKZUOJYZWJHPQA-SMDDNHRTSA-N -1 1 311.809 2.598 20 0 DFADMM CC[C@@H](C)Sc1ccc(NC(=O)CCc2nn[n-]n2)c(C)c1 ZINC000630866654 399941266 /nfs/dbraw/zinc/94/12/66/399941266.db2.gz NPZRUVULWKELPU-LLVKDONJSA-N -1 1 319.434 2.970 20 0 DFADMM CN1CC[C@H](C(=O)Nc2cc(Cl)c([O-])c3ccccc23)C1=O ZINC000628233317 400005057 /nfs/dbraw/zinc/00/50/57/400005057.db2.gz WEQNCRDNRPEFDZ-LLVKDONJSA-N -1 1 318.760 2.616 20 0 DFADMM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000180598566 145588170 /nfs/dbraw/zinc/58/81/70/145588170.db2.gz YXFBBHANRDBFQH-BONVTDFDSA-N -1 1 320.414 2.812 20 0 DFADMM C[C@]1(CNC(=O)Cc2ccc([O-])c(Cl)c2)CCCC[C@@H]1O ZINC000631619750 400058648 /nfs/dbraw/zinc/05/86/48/400058648.db2.gz 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Cc1cnc(C(=O)NCCc2c[nH]c3cccc(C)c23)c([O-])c1 ZINC000427074464 296648250 /nfs/dbraw/zinc/64/82/50/296648250.db2.gz WKSHZHUDZYKBMM-UHFFFAOYSA-N -1 1 309.369 2.858 20 0 DFADMM NC(=O)c1ccc(CSc2nc(C(F)F)cc(=O)[n-]2)cc1 ZINC000351889609 286238242 /nfs/dbraw/zinc/23/82/42/286238242.db2.gz UJBVSBZCNGQRHL-UHFFFAOYSA-N -1 1 311.313 2.511 20 0 DFADMM O=c1cc(/C=C\c2ccc(F)cc2C(F)(F)F)nc2nc[n-]n21 ZINC000352029524 286274060 /nfs/dbraw/zinc/27/40/60/286274060.db2.gz ZWMCHSRUXLXNHZ-RQOWECAXSA-N -1 1 324.237 2.746 20 0 DFADMM CC(C)COc1ccc(/C=C\c2cc(=O)n3[n-]cnc3n2)cc1 ZINC000352035750 286275790 /nfs/dbraw/zinc/27/57/90/286275790.db2.gz UHAAKRMAYXUQCQ-UTCJRWHESA-N -1 1 310.357 2.623 20 0 DFADMM COCc1ccccc1S(=O)(=O)[N-]c1ccccc1N(C)C ZINC000352107354 286293566 /nfs/dbraw/zinc/29/35/66/286293566.db2.gz VHQLSJOAPNKWMO-UHFFFAOYSA-N -1 1 320.414 2.700 20 0 DFADMM O=C(N[C@H]1CCC[C@@H]1OCc1ccccc1)c1ncccc1[O-] ZINC000427770194 296667433 /nfs/dbraw/zinc/66/74/33/296667433.db2.gz XFKNKDRLLOPCNG-HOCLYGCPSA-N -1 1 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O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1ncccc1[O-] ZINC000132915187 196296040 /nfs/dbraw/zinc/29/60/40/196296040.db2.gz RLRZUETYVGVDOU-DZGCQCFKSA-N -1 1 312.369 2.685 20 0 DFADMM O=C(c1cc(Cl)ccc1[O-])N1CCO[C@@H](c2ccco2)C1 ZINC000133214274 196321535 /nfs/dbraw/zinc/32/15/35/196321535.db2.gz XHAVJVHZEOALRO-CQSZACIVSA-N -1 1 307.733 2.852 20 0 DFADMM CC(C)c1ncc(CN(C)C(=O)c2ccc([O-])c(F)c2)cn1 ZINC000669621868 543976844 /nfs/dbraw/zinc/97/68/44/543976844.db2.gz ORXAWLAEAWJZRO-UHFFFAOYSA-N -1 1 303.337 2.717 20 0 DFADMM Cc1nc(C(=O)[N-]c2nc(Cc3ccccc3)ns2)co1 ZINC000669950208 544011434 /nfs/dbraw/zinc/01/14/34/544011434.db2.gz QJLBGFOKHUYTNP-UHFFFAOYSA-N -1 1 300.343 2.678 20 0 DFADMM O=C(c1cc2ccccc2o1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000670384423 544035672 /nfs/dbraw/zinc/03/56/72/544035672.db2.gz SHAMKECQEKKNCQ-NSHDSACASA-N -1 1 313.313 2.541 20 0 DFADMM C[C@@H]1COCC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000672251363 544131248 /nfs/dbraw/zinc/13/12/48/544131248.db2.gz 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544166434 /nfs/dbraw/zinc/16/64/34/544166434.db2.gz LREJEXCHHYLPQX-MWLCHTKSSA-N -1 1 315.291 2.764 20 0 DFADMM O=C(c1coc2ccccc12)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000673440833 544180008 /nfs/dbraw/zinc/18/00/08/544180008.db2.gz LVBWZKPZPJNBBA-SNVBAGLBSA-N -1 1 313.313 2.541 20 0 DFADMM CCN(C[C@@H](C)OC)C(=O)c1ccc(Br)cc1[O-] ZINC000291291870 222291656 /nfs/dbraw/zinc/29/16/56/222291656.db2.gz PQLRMWHKMQSRBT-SECBINFHSA-N -1 1 316.195 2.652 20 0 DFADMM CCC[C@H](NC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1)c1nn[n-]n1 ZINC000675144954 544287245 /nfs/dbraw/zinc/28/72/45/544287245.db2.gz XMEISKCXGRGMJG-RTXFEEFZSA-N -1 1 317.393 2.506 20 0 DFADMM Cc1nn(CC(F)(F)F)cc1C(=O)Nc1c([O-])cccc1F ZINC000675707911 544330447 /nfs/dbraw/zinc/33/04/47/544330447.db2.gz DEBIQIXLOKBHJR-UHFFFAOYSA-N -1 1 317.242 2.851 20 0 DFADMM Cn1cc(-c2cncc(C(=O)Nc3ccc(F)cc3[O-])c2)cn1 ZINC000676056225 544353305 /nfs/dbraw/zinc/35/33/05/544353305.db2.gz VVKVRYHLWXADSS-UHFFFAOYSA-N -1 1 312.304 2.579 20 0 DFADMM Cc1[nH]nc(C(=O)Nc2ccc(F)cc2OC(C)(C)C)c1[O-] ZINC000677978283 544575801 /nfs/dbraw/zinc/57/58/01/544575801.db2.gz MZGAEBOGSYIEIV-UHFFFAOYSA-N -1 1 307.325 2.992 20 0 DFADMM O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1ccc(F)cc1[O-] ZINC000678312199 544650292 /nfs/dbraw/zinc/65/02/92/544650292.db2.gz FQWFPHSUGRGGRF-UHFFFAOYSA-N -1 1 319.723 2.991 20 0 DFADMM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cccc3c[nH]nc32)C1 ZINC000679104385 544784345 /nfs/dbraw/zinc/78/43/45/544784345.db2.gz AQDYDWKUNSSJLI-LBPRGKRZSA-N -1 1 315.373 2.526 20 0 DFADMM C[C@H]1CCN(C(=O)c2cc(Br)ccc2[O-])C[C@H]1F ZINC000679257850 544816318 /nfs/dbraw/zinc/81/63/18/544816318.db2.gz SVDPWSCZKQLGIA-GZMMTYOYSA-N -1 1 316.170 2.975 20 0 DFADMM C[C@@H]1CCN(C(=O)c2ccc(Br)c([O-])c2)C[C@H]1F ZINC000679276006 544820139 /nfs/dbraw/zinc/82/01/39/544820139.db2.gz PFYFLHZOSDHCJU-LDYMZIIASA-N -1 1 316.170 2.975 20 0 DFADMM COCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000055595244 425894345 /nfs/dbraw/zinc/89/43/45/425894345.db2.gz QZKHOOZJCXAOIU-UHFFFAOYSA-N -1 1 319.382 2.569 20 0 DFADMM CCCc1cc(=O)[n-]c(S[C@@H](C)c2ccc(C(=O)OC)o2)n1 ZINC000058734251 425898369 /nfs/dbraw/zinc/89/83/69/425898369.db2.gz ZUEZVQCRIPVLLT-VIFPVBQESA-N -1 1 322.386 2.955 20 0 DFADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2C)c1 ZINC000063878229 425901312 /nfs/dbraw/zinc/90/13/12/425901312.db2.gz DZCDHEZHVQMWKI-UHFFFAOYSA-N -1 1 318.398 2.512 20 0 DFADMM Cc1ccc(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000064316725 425901373 /nfs/dbraw/zinc/90/13/73/425901373.db2.gz DVOOXURANKGNBV-UHFFFAOYSA-N -1 1 324.384 2.931 20 0 DFADMM Cc1nc(C)c(C(=O)NCc2n[n-]c(=S)n2C(C)C)s1 ZINC000066639570 425905438 /nfs/dbraw/zinc/90/54/38/425905438.db2.gz KQEJXZNLGFISAK-UHFFFAOYSA-N -1 1 311.436 2.525 20 0 DFADMM CCn1c(CNC(=O)C[C@H](C)c2ccccc2F)n[n-]c1=S ZINC000066636613 425905454 /nfs/dbraw/zinc/90/54/54/425905454.db2.gz IRKQTIPBRCXJAE-JTQLQIEISA-N -1 1 322.409 2.910 20 0 DFADMM CCOc1ccccc1C(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000066640384 425905726 /nfs/dbraw/zinc/90/57/26/425905726.db2.gz FQBQQVNYUXKAIQ-UHFFFAOYSA-N -1 1 320.418 2.850 20 0 DFADMM Cc1ccc(C(=O)NCc2n[n-]c(=S)n2C(C)C)cc1F ZINC000066640069 425905860 /nfs/dbraw/zinc/90/58/60/425905860.db2.gz QATZGCRPMLSDSN-UHFFFAOYSA-N -1 1 308.382 2.899 20 0 DFADMM Cc1cccc(C(=O)NCCc2n[n-]c(=S)n2C2CC2)c1C ZINC000067079383 425908369 /nfs/dbraw/zinc/90/83/69/425908369.db2.gz OSFNBADGPSHJJJ-UHFFFAOYSA-N -1 1 316.430 2.865 20 0 DFADMM Cc1ccc(C=CC(=O)NCc2n[n-]c(=S)n2C(C)C)o1 ZINC000067072144 425908467 /nfs/dbraw/zinc/90/84/67/425908467.db2.gz LPTCCKBRLDEAMR-VOTSOKGWSA-N -1 1 306.391 2.753 20 0 DFADMM Cc1ccccc1C(=O)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067079935 425908484 /nfs/dbraw/zinc/90/84/84/425908484.db2.gz YAAQEFGAOMMJKG-UHFFFAOYSA-N -1 1 302.403 2.557 20 0 DFADMM Cn1c(CNC(=O)C(C)(C)c2ccccc2Cl)n[n-]c1=S ZINC000067050055 425908493 /nfs/dbraw/zinc/90/84/93/425908493.db2.gz AETRHXZOAFYEMU-UHFFFAOYSA-N -1 1 324.837 2.725 20 0 DFADMM O=C(CCc1cccs1)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067079869 425908524 /nfs/dbraw/zinc/90/85/24/425908524.db2.gz DEIQWXYXROBMDW-UHFFFAOYSA-N -1 1 322.459 2.629 20 0 DFADMM CCC[C@H](CC1CCCC1)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155570205 425920121 /nfs/dbraw/zinc/92/01/21/425920121.db2.gz MUPDLPWKDWEQBB-CABCVRRESA-N -1 1 319.453 2.902 20 0 DFADMM CCCCC[C@H](C(=O)N1CCC[C@H](c2nn[n-]n2)C1)C(C)C ZINC000155609955 425922824 /nfs/dbraw/zinc/92/28/24/425922824.db2.gz QCDGAUPIOGOECH-KBPBESRZSA-N -1 1 307.442 2.758 20 0 DFADMM CCC[C@H](CC1CCCC1)C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000124569596 425926547 /nfs/dbraw/zinc/92/65/47/425926547.db2.gz CPUSXCSCVYPUEZ-TZMCWYRMSA-N -1 1 307.442 2.758 20 0 DFADMM CCOc1cc(CNC(=O)c2c([O-])cccc2F)ccc1OC ZINC000124584819 425927623 /nfs/dbraw/zinc/92/76/23/425927623.db2.gz ATJAQQYELFNIIL-UHFFFAOYSA-N -1 1 319.332 2.869 20 0 DFADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000007052486 267376185 /nfs/dbraw/zinc/37/61/85/267376185.db2.gz APBHZPJOVXEFJQ-UHFFFAOYSA-N -1 1 305.355 2.664 20 0 DFADMM CCCc1cc(=O)[n-]c(SCC(=O)c2ccccc2F)n1 ZINC000011443723 267377222 /nfs/dbraw/zinc/37/72/22/267377222.db2.gz JQJUFTLSXQQMOE-UHFFFAOYSA-N -1 1 306.362 2.837 20 0 DFADMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)N[C@@H](C)CCC)n1 ZINC000022931104 267383372 /nfs/dbraw/zinc/38/33/72/267383372.db2.gz RKPDCXMJKGSDLE-QWRGUYRKSA-N -1 1 311.451 2.508 20 0 DFADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)ncn2C ZINC000074837699 267426149 /nfs/dbraw/zinc/42/61/49/267426149.db2.gz RSHFLILFDWUYIS-UHFFFAOYSA-N -1 1 319.361 2.822 20 0 DFADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1nc2ccccc2n1C ZINC000161833264 267553962 /nfs/dbraw/zinc/55/39/62/267553962.db2.gz CZDBVMPCTKBUIK-JTQLQIEISA-N -1 1 313.332 2.909 20 0 DFADMM Cc1cc(=O)n(C)cc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000176145038 267609109 /nfs/dbraw/zinc/60/91/09/267609109.db2.gz NXOWCDMYJHXVQT-UHFFFAOYSA-N -1 1 308.337 2.805 20 0 DFADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ncccc2Cl)c1 ZINC000180195127 267713383 /nfs/dbraw/zinc/71/33/83/267713383.db2.gz PCNQSANLYGMXMS-UHFFFAOYSA-N -1 1 310.762 2.738 20 0 DFADMM CCCCNC(=O)CCn1c(-c2cccs2)n[n-]c1=S ZINC000014683538 425773067 /nfs/dbraw/zinc/77/30/67/425773067.db2.gz OTVQWPKOKYFDNV-UHFFFAOYSA-N -1 1 310.448 2.976 20 0 DFADMM COC(=O)C[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000038026473 425850062 /nfs/dbraw/zinc/85/00/62/425850062.db2.gz DDSFARCPMMWOSH-NSHDSACASA-N -1 1 311.765 2.603 20 0 DFADMM O=C([O-])C[C@H]1CCCCN1Cc1cn2cc(Cl)ccc2n1 ZINC000038027812 425850367 /nfs/dbraw/zinc/85/03/67/425850367.db2.gz IPPHOHFGQNCWQK-CYBMUJFWSA-N -1 1 307.781 2.817 20 0 DFADMM O=S(=O)([N-]Cc1ccco1)c1sccc1Br ZINC000042350705 425853154 /nfs/dbraw/zinc/85/31/54/425853154.db2.gz KGPXASGHJJZIRH-UHFFFAOYSA-N -1 1 322.205 2.582 20 0 DFADMM C[C@H](NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)C1CC1 ZINC000043840596 425855392 /nfs/dbraw/zinc/85/53/92/425855392.db2.gz JWJBHOULACWHAL-LBPRGKRZSA-N -1 1 316.401 2.795 20 0 DFADMM COC(=O)c1c[n-]c(SCC(=O)c2ccc(Cl)s2)n1 ZINC000193537407 268071773 /nfs/dbraw/zinc/07/17/73/268071773.db2.gz AONHHVIBNAPTEF-UHFFFAOYSA-N -1 1 316.791 2.886 20 0 DFADMM COCc1ccc(C(=O)[N-]c2nnc(-c3ccccn3)s2)o1 ZINC000193767821 268078971 /nfs/dbraw/zinc/07/89/71/268078971.db2.gz RINHYPHBDYOTIM-UHFFFAOYSA-N -1 1 316.342 2.592 20 0 DFADMM CCc1ccc(C(=O)Nc2cn(Cc3ccccc3)nn2)c([O-])c1 ZINC000194532823 268106542 /nfs/dbraw/zinc/10/65/42/268106542.db2.gz LENXWDUHXLLLQB-UHFFFAOYSA-N -1 1 322.368 2.847 20 0 DFADMM C[C@@](O)(CNC(=O)c1ccc2ccccc2c1[O-])C(F)(F)F ZINC000270863512 268228203 /nfs/dbraw/zinc/22/82/03/268228203.db2.gz ILVFFUHXKXFCSG-CQSZACIVSA-N -1 1 313.275 2.589 20 0 DFADMM COCCc1nsc([N-]c2cnn(-c3ccccc3)c2)n1 ZINC000302838427 268325508 /nfs/dbraw/zinc/32/55/08/268325508.db2.gz YMHJFJPRQVBEID-UHFFFAOYSA-N -1 1 301.375 2.656 20 0 DFADMM CCc1n[nH]c([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)c1C ZINC000331252857 268356069 /nfs/dbraw/zinc/35/60/69/268356069.db2.gz QTNWHTFCQWGMSI-UHFFFAOYSA-N -1 1 323.418 2.707 20 0 DFADMM O=S(=O)([N-][C@H]1CCO[C@H](C2CC2)C1)c1sccc1Cl ZINC000333262763 268387084 /nfs/dbraw/zinc/38/70/84/268387084.db2.gz BEONEOZDUUSCRO-ONGXEEELSA-N 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/nfs/dbraw/zinc/96/99/01/425969901.db2.gz NBRCPGLDUMGFAX-QMMMGPOBSA-N -1 1 316.220 2.732 20 0 DFADMM CCOc1ccc(CC[N-]C(=O)C(F)(F)F)cc1OCC ZINC000070286815 425971428 /nfs/dbraw/zinc/97/14/28/425971428.db2.gz TYHVAODKZNEQTD-UHFFFAOYSA-N -1 1 305.296 2.705 20 0 DFADMM CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cncc([O-])c2)cc1 ZINC000111578040 426052934 /nfs/dbraw/zinc/05/29/34/426052934.db2.gz FKMXMTMRVCGHFD-NSHDSACASA-N -1 1 313.357 2.568 20 0 DFADMM O=C(Nc1ccc(NC2CCOCC2)cc1)c1cncc([O-])c1 ZINC000111593935 426053470 /nfs/dbraw/zinc/05/34/70/426053470.db2.gz RBRFMZNVIFLCAA-UHFFFAOYSA-N -1 1 313.357 2.630 20 0 DFADMM Cc1c(CNC(=O)c2cncc([O-])c2)oc2ccc(F)cc12 ZINC000111581426 426053858 /nfs/dbraw/zinc/05/38/58/426053858.db2.gz IWKOVARAFPBHQM-UHFFFAOYSA-N -1 1 300.289 2.911 20 0 DFADMM O=C(CCNC(=O)c1ccsc1)Nc1ccc([O-])c(Cl)c1 ZINC000111668628 426056346 /nfs/dbraw/zinc/05/63/46/426056346.db2.gz LAAODELFJHQPFY-UHFFFAOYSA-N -1 1 324.789 2.866 20 0 DFADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2 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CSc1cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)ccc1F ZINC000163487952 426102529 /nfs/dbraw/zinc/10/25/29/426102529.db2.gz NTBNWASCXTULPO-UHFFFAOYSA-N -1 1 320.271 2.937 20 0 DFADMM CC[C@H](C)c1ccc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000164615690 426115859 /nfs/dbraw/zinc/11/58/59/426115859.db2.gz RWUWJWKINUBUOX-ZFWWWQNUSA-N -1 1 318.417 2.935 20 0 DFADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ncccc2Cl)cc1 ZINC000128630195 426125704 /nfs/dbraw/zinc/12/57/04/426125704.db2.gz ACPLQTWBHZVVEK-UHFFFAOYSA-N -1 1 310.762 2.738 20 0 DFADMM Cc1cc(C)cc(CCNC(=O)c2nc3ccccc3c(=O)[n-]2)c1 ZINC000077511011 426137595 /nfs/dbraw/zinc/13/75/95/426137595.db2.gz YDIQTEQJNONUFU-UHFFFAOYSA-N -1 1 321.380 2.512 20 0 DFADMM COc1cc(C(=O)N[C@@H](C)C[C@@H]2CCCO2)cc(Cl)c1[O-] ZINC000135042311 426204357 /nfs/dbraw/zinc/20/43/57/426204357.db2.gz FSKXOSDECRUJEC-ONGXEEELSA-N -1 1 313.781 2.742 20 0 DFADMM COCc1nsc([N-]C(=O)c2scnc2C(C)(C)C)n1 ZINC000130227127 426150951 /nfs/dbraw/zinc/15/09/51/426150951.db2.gz FEPKFBXIOXFBGQ-UHFFFAOYSA-N -1 1 312.420 2.691 20 0 DFADMM O=C(c1ncccc1[O-])N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000131843412 426167156 /nfs/dbraw/zinc/16/71/56/426167156.db2.gz BUXQGVYNEUOEPP-UONOGXRCSA-N -1 1 316.401 2.931 20 0 DFADMM O=C(c1ncccc1[O-])N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000131843842 426167662 /nfs/dbraw/zinc/16/76/62/426167662.db2.gz BUXQGVYNEUOEPP-ZIAGYGMSSA-N -1 1 316.401 2.931 20 0 DFADMM O=C(N[C@H]1CCCSC1)c1ccc(Br)c([O-])c1 ZINC000132234374 426168546 /nfs/dbraw/zinc/16/85/46/426168546.db2.gz MJKSXJCXUWPIQI-VIFPVBQESA-N -1 1 316.220 2.780 20 0 DFADMM CCC[C@]1(C)CCCN(C(=O)c2c[n-]c3c(cnn3C)c2=O)C1 ZINC000132791672 426171656 /nfs/dbraw/zinc/17/16/56/426171656.db2.gz GRYSZQOVWNXHHF-QGZVFWFLSA-N -1 1 316.405 2.716 20 0 DFADMM CN(Cc1ccccn1)C(=O)c1ccc(Br)c([O-])c1 ZINC000133190597 426172181 /nfs/dbraw/zinc/17/21/81/426172181.db2.gz MEKUHSMAULBLBS-UHFFFAOYSA-N -1 1 321.174 2.822 20 0 DFADMM O=S(=O)([N-]CCc1ccco1)c1c(F)cccc1Cl ZINC000133380034 426175311 /nfs/dbraw/zinc/17/53/11/426175311.db2.gz FFFXWLIZUQSQHU-UHFFFAOYSA-N -1 1 303.742 2.593 20 0 DFADMM COc1cc(C)c([C@@H](C)NC(=O)c2ncccc2[O-])cc1OC ZINC000171255011 426179442 /nfs/dbraw/zinc/17/94/42/426179442.db2.gz SSGFDKCRLCIKGV-LLVKDONJSA-N -1 1 316.357 2.604 20 0 DFADMM O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1ncccc1[O-] ZINC000171273817 426180128 /nfs/dbraw/zinc/18/01/28/426180128.db2.gz NGVQQFQBGNLQGF-PBHICJAKSA-N -1 1 312.369 2.685 20 0 DFADMM CC(C)CC(C)(C)CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000081165673 426219479 /nfs/dbraw/zinc/21/94/79/426219479.db2.gz DZDCWCRJQPKLPO-UHFFFAOYSA-N -1 1 301.390 2.725 20 0 DFADMM C[C@H](NC(=O)c1cncc([O-])c1)c1ncc(-c2ccccc2)o1 ZINC000172412042 426226643 /nfs/dbraw/zinc/22/66/43/426226643.db2.gz UKFDBCKFYKZIOO-NSHDSACASA-N -1 1 309.325 2.933 20 0 DFADMM COc1ccc(OC)c(CCNC(=O)c2cc(F)ccc2[O-])c1 ZINC000081945261 426227515 /nfs/dbraw/zinc/22/75/15/426227515.db2.gz MNTHHDGUBCIQHC-UHFFFAOYSA-N -1 1 319.332 2.521 20 0 DFADMM CCO[C@H](CC[N-]S(=O)(=O)c1cccc(F)c1F)C(C)C ZINC000173521791 426242280 /nfs/dbraw/zinc/24/22/80/426242280.db2.gz AJUHHLLVRFNQPD-GFCCVEGCSA-N -1 1 321.389 2.694 20 0 DFADMM CCC[C@@H](NC(=O)c1csc2ccccc12)c1nn[n-]n1 ZINC000136638869 426243175 /nfs/dbraw/zinc/24/31/75/426243175.db2.gz OTDISINOWORIEW-LLVKDONJSA-N -1 1 301.375 2.686 20 0 DFADMM Cc1ccc(CC[N-]S(=O)(=O)c2cc3ccccc3o2)cn1 ZINC000084938031 426248052 /nfs/dbraw/zinc/24/80/52/426248052.db2.gz ONJGGUOPVJLSQL-UHFFFAOYSA-N -1 1 316.382 2.657 20 0 DFADMM C[C@@H](CNC(=O)c1cncc([O-])c1)Oc1cccc(Cl)c1 ZINC000174526321 426259053 /nfs/dbraw/zinc/25/90/53/426259053.db2.gz AHFNONXCFWHHDI-JTQLQIEISA-N -1 1 306.749 2.638 20 0 DFADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc2nccnc2c1 ZINC000174682120 426262966 /nfs/dbraw/zinc/26/29/66/426262966.db2.gz RULXJEZZCFHYNS-UHFFFAOYSA-N -1 1 317.345 2.878 20 0 DFADMM C[C@@H](c1cccc(O)c1)N(C)CC(=O)[N-]OCc1ccccc1 ZINC000119483851 426292583 /nfs/dbraw/zinc/29/25/83/426292583.db2.gz BYOXIEPSGCKDLF-AWEZNQCLSA-N -1 1 314.385 2.633 20 0 DFADMM CC[C@@H](CNC(=O)c1cncc([O-])c1)Oc1cccc(C)c1 ZINC000175468987 426306696 /nfs/dbraw/zinc/30/66/96/426306696.db2.gz ZHPOISKZNQHBFW-HNNXBMFYSA-N -1 1 300.358 2.683 20 0 DFADMM CC(C)n1c(CCNC(=O)c2cncc([O-])c2)nc2ccccc21 ZINC000175716588 426322608 /nfs/dbraw/zinc/32/26/08/426322608.db2.gz GXQJCURTOSYUFO-UHFFFAOYSA-N -1 1 324.384 2.690 20 0 DFADMM CCOCCC1(CNC(=O)c2ccc3[nH]nnc3c2)CCCC1 ZINC000121209171 426325267 /nfs/dbraw/zinc/32/52/67/426325267.db2.gz RPOLQHFMTOXHBU-UHFFFAOYSA-N -1 1 316.405 2.675 20 0 DFADMM Cc1ocnc1C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000090446770 426328409 /nfs/dbraw/zinc/32/84/09/426328409.db2.gz RJTZTJBTSUUBAI-UHFFFAOYSA-N -1 1 321.185 2.768 20 0 DFADMM C[C@H](NC(=O)c1ncccc1[O-])c1nc(C2CCCCC2)no1 ZINC000175854916 426334420 /nfs/dbraw/zinc/33/44/20/426334420.db2.gz JIIFKBZJJWNOAV-JTQLQIEISA-N -1 1 316.361 2.709 20 0 DFADMM COCCCOc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000175969061 426343388 /nfs/dbraw/zinc/34/33/88/426343388.db2.gz JMQNXBNUHDOWMJ-UHFFFAOYSA-N -1 1 321.398 2.903 20 0 DFADMM O=C(NCc1nc2cc(F)ccc2[nH]1)c1ccc(Cl)cc1[O-] ZINC000176109480 426352498 /nfs/dbraw/zinc/35/24/98/426352498.db2.gz UBJSIOLUPBNSCS-UHFFFAOYSA-N -1 1 319.723 2.991 20 0 DFADMM Cc1occc1CN(C)C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000176103065 426353019 /nfs/dbraw/zinc/35/30/19/426353019.db2.gz NBDBFHXYBCDERC-UHFFFAOYSA-N -1 1 317.389 2.549 20 0 DFADMM CC(=O)Nc1ccc([O-])c(C(=O)N2c3ccccc3C[C@H]2C)c1 ZINC000121731336 426353056 /nfs/dbraw/zinc/35/30/56/426353056.db2.gz PKLJHOIJJSABAO-LLVKDONJSA-N -1 1 310.353 2.942 20 0 DFADMM O=C(NCc1ccc(-c2ccncc2)cc1)c1cncc([O-])c1 ZINC000339953006 268921492 /nfs/dbraw/zinc/92/14/92/268921492.db2.gz YZLOOXCCPLQGFM-UHFFFAOYSA-N -1 1 305.337 2.779 20 0 DFADMM CC(C)OCCS(=O)(=O)[N-]c1ccc2oc(C3CC3)nc2c1 ZINC000176462598 426384005 /nfs/dbraw/zinc/38/40/05/426384005.db2.gz JCFIBAHDTJOVJW-UHFFFAOYSA-N -1 1 324.402 2.872 20 0 DFADMM O=C(NC[C@@H](CO)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000176473968 426385820 /nfs/dbraw/zinc/38/58/20/426385820.db2.gz CSQOIQJSUNBZLS-LBPRGKRZSA-N -1 1 305.761 2.552 20 0 DFADMM CN(C)c1cccc([C@@H]2CCCN2C(=O)c2ncccc2[O-])c1 ZINC000153846658 426410260 /nfs/dbraw/zinc/41/02/60/426410260.db2.gz AHDAJYDOSWOBLO-HNNXBMFYSA-N -1 1 311.385 2.831 20 0 DFADMM CCC[C@H](NC(=O)C=Cc1cc2ccccc2o1)c1nn[n-]n1 ZINC000176748375 426410901 /nfs/dbraw/zinc/41/09/01/426410901.db2.gz DECDAEJQGHDTBE-XEHSLEBBSA-N -1 1 311.345 2.617 20 0 DFADMM CCC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)c1nn[n-]n1 ZINC000176754978 426411970 /nfs/dbraw/zinc/41/19/70/426411970.db2.gz ZJIMUCBQKWCDKR-WZRBSPASSA-N -1 1 319.796 2.614 20 0 DFADMM CCC[C@@H](NC(=O)C[C@@H](CC)c1ccccc1)c1nn[n-]n1 ZINC000176792681 426415245 /nfs/dbraw/zinc/41/52/45/426415245.db2.gz GBUDYCNDTKNWSP-TZMCWYRMSA-N -1 1 301.394 2.741 20 0 DFADMM COc1c(C)cc(S(=O)(=O)[N-]c2cnccc2C)cc1C ZINC000154037759 426421235 /nfs/dbraw/zinc/42/12/35/426421235.db2.gz WMHNGVNTATWVGK-UHFFFAOYSA-N -1 1 306.387 2.816 20 0 DFADMM Cc1ccncc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000154045693 426421484 /nfs/dbraw/zinc/42/14/84/426421484.db2.gz FQBIWCNXMDZBSI-NSHDSACASA-N -1 1 304.371 2.514 20 0 DFADMM CN(C(=O)c1ccc(Cl)cc1[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000124298189 426478897 /nfs/dbraw/zinc/47/88/97/426478897.db2.gz TWHMTTDBILDJKF-BNOWGMLFSA-N -1 1 309.793 2.931 20 0 DFADMM CC[C@@H](OC)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000272435016 426525680 /nfs/dbraw/zinc/52/56/80/426525680.db2.gz HLGGAITYUGFLDB-SNVBAGLBSA-N -1 1 302.168 2.827 20 0 DFADMM Cc1ccc([N-]S(=O)(=O)c2cccc3c2OCCO3)c(F)c1 ZINC000195439027 426526284 /nfs/dbraw/zinc/52/62/84/426526284.db2.gz QAPGRWIGFNOCCN-UHFFFAOYSA-N -1 1 323.345 2.706 20 0 DFADMM O=C(NCC1(c2ccc(F)cc2)CCC1)c1ccc2[nH]nnc2c1 ZINC000195462998 426527595 /nfs/dbraw/zinc/52/75/95/426527595.db2.gz LUOHKHBBAHGIET-UHFFFAOYSA-N -1 1 324.359 2.949 20 0 DFADMM O=C([O-])[C@@H]1CSCCN1Cc1ccccc1C(F)(F)F ZINC000215211745 426549988 /nfs/dbraw/zinc/54/99/88/426549988.db2.gz GKXIEWBYJKSKAK-NSHDSACASA-N -1 1 305.321 2.707 20 0 DFADMM CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(O)cc(F)c2)C1 ZINC000186202920 426493162 /nfs/dbraw/zinc/49/31/62/426493162.db2.gz DCZHJTCGCUEOMY-AWEZNQCLSA-N -1 1 308.397 2.660 20 0 DFADMM CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2cc(O)cc(F)c2)C1 ZINC000186201937 426493249 /nfs/dbraw/zinc/49/32/49/426493249.db2.gz KKBUFFZNNTUHOT-GFCCVEGCSA-N -1 1 324.396 2.878 20 0 DFADMM CC1CCN(C(=O)c2nc(-c3ccc([O-])cc3Cl)no2)CC1 ZINC000289131733 426588630 /nfs/dbraw/zinc/58/86/30/426588630.db2.gz RDGZDZSCJLLTCB-UHFFFAOYSA-N -1 1 321.764 2.968 20 0 DFADMM COC(=O)c1cc(F)cc([N-]C(=O)c2ocnc2C2CC2)c1F ZINC000289129990 426588753 /nfs/dbraw/zinc/58/87/53/426588753.db2.gz XSWVJFYQGBHXKB-UHFFFAOYSA-N -1 1 322.267 2.869 20 0 DFADMM CC[C@H](C)[C@H](NC(C)=O)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000289209596 426603920 /nfs/dbraw/zinc/60/39/20/426603920.db2.gz ZFKJBFWLSJNNPW-SDBXPKJASA-N -1 1 307.325 2.805 20 0 DFADMM CO[C@@]1(C)CCCN(Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000280595296 426611603 /nfs/dbraw/zinc/61/16/03/426611603.db2.gz URAIIDQMDUOVPP-HNNXBMFYSA-N -1 1 307.419 2.788 20 0 DFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000178357185 426614687 /nfs/dbraw/zinc/61/46/87/426614687.db2.gz JQUBVXDGMDVXKW-CHWSQXEVSA-N -1 1 317.433 2.638 20 0 DFADMM CC[C@H](C)[C@H](NC(C)=O)c1nc(-c2ccc([O-])cc2F)no1 ZINC000288966333 426559487 /nfs/dbraw/zinc/55/94/87/426559487.db2.gz DLMOTNWSLJTPOX-SDBXPKJASA-N -1 1 307.325 2.805 20 0 DFADMM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000265563939 426654408 /nfs/dbraw/zinc/65/44/08/426654408.db2.gz ZBJPPHIOAUUUJZ-ZSDNHXBWSA-N -1 1 317.410 2.527 20 0 DFADMM O=C(Nc1nc2c(s1)CCCC2)C(=O)c1ccc([O-])cc1 ZINC000280809822 426660098 /nfs/dbraw/zinc/66/00/98/426660098.db2.gz QKENBQICHYOXPD-UHFFFAOYSA-N -1 1 302.355 2.549 20 0 DFADMM CC(C)c1nnc(CSc2nc(C(F)F)cc(=O)[n-]2)n1C ZINC000289461839 426663958 /nfs/dbraw/zinc/66/39/58/426663958.db2.gz GHKFDNUALWPHLK-UHFFFAOYSA-N -1 1 315.349 2.664 20 0 DFADMM COC(=O)c1c[n-]c(SCc2nc(-c3ccccc3)no2)n1 ZINC000187591266 426674109 /nfs/dbraw/zinc/67/41/09/426674109.db2.gz GFPGHPXWBFZFEC-UHFFFAOYSA-N -1 1 316.342 2.539 20 0 DFADMM O=C(C(=O)N1CCCC[C@@H]1c1nccs1)c1ccc([O-])cc1 ZINC000280918386 426685724 /nfs/dbraw/zinc/68/57/24/426685724.db2.gz JBXFFHRCIKYHTR-CYBMUJFWSA-N -1 1 316.382 2.785 20 0 DFADMM Cc1nc([N-]S(=O)(=O)Cc2ccccc2)cc(C2CC2)n1 ZINC000187757612 426690286 /nfs/dbraw/zinc/69/02/86/426690286.db2.gz RUORODZFBCNFRZ-UHFFFAOYSA-N -1 1 303.387 2.604 20 0 DFADMM Cn1cccc1[C@@H]1CCCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000280929151 426687836 /nfs/dbraw/zinc/68/78/36/426687836.db2.gz GZQISIQUGPXCBJ-INIZCTEOSA-N -1 1 312.369 2.667 20 0 DFADMM CCc1cc(=O)[n-]c(SCCCCCn2cc(C)cn2)n1 ZINC000188095873 426722117 /nfs/dbraw/zinc/72/21/17/426722117.db2.gz XIYVJCBPSOJCQE-UHFFFAOYSA-N -1 1 306.435 2.800 20 0 DFADMM O=C([O-])[C@@H]1CCN(CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000178901813 426715201 /nfs/dbraw/zinc/71/52/01/426715201.db2.gz CCTSPGOAEIWVIG-OAHLLOKOSA-N -1 1 324.380 2.699 20 0 DFADMM CCc1cccc(CC)c1NC(=O)[C@H](C)N1CC[C@H](C(=O)[O-])C1 ZINC000178894863 426715902 /nfs/dbraw/zinc/71/59/02/426715902.db2.gz BXMOQURENUGXNX-WFASDCNBSA-N -1 1 318.417 2.545 20 0 DFADMM Cc1ccc(-c2noc([C@@H](C)N3CC[C@H](C(=O)[O-])C3)n2)cc1F ZINC000178898246 426716038 /nfs/dbraw/zinc/71/60/38/426716038.db2.gz WTJPMAYCTGWFAO-PWSUYJOCSA-N -1 1 319.336 2.652 20 0 DFADMM O=C(N[C@@H](CCO)c1ccco1)c1cc2ccccc2cc1[O-] ZINC000187815465 426695280 /nfs/dbraw/zinc/69/52/80/426695280.db2.gz DMJYRLIQPVHPTA-HNNXBMFYSA-N -1 1 311.337 2.992 20 0 DFADMM O=C(N[C@H](CCO)c1ccco1)c1cc2ccccc2cc1[O-] ZINC000187815484 426696281 /nfs/dbraw/zinc/69/62/81/426696281.db2.gz DMJYRLIQPVHPTA-OAHLLOKOSA-N -1 1 311.337 2.992 20 0 DFADMM Cc1nnc([C@H](C)NCc2cc(=O)oc3cc([O-])ccc23)s1 ZINC000273631368 426699256 /nfs/dbraw/zinc/69/92/56/426699256.db2.gz SFTAYIACRLLCHL-QMMMGPOBSA-N -1 1 317.370 2.509 20 0 DFADMM CC[C@@H](c1ccc(F)cc1)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000265850618 426700309 /nfs/dbraw/zinc/70/03/09/426700309.db2.gz VWISMXPIDYJLQE-LBPRGKRZSA-N -1 1 309.366 2.746 20 0 DFADMM CC(C)OCCCNC(=O)c1ccc(Br)c([O-])c1 ZINC000179300092 426778213 /nfs/dbraw/zinc/77/82/13/426778213.db2.gz HLEIBVPBZSCDKX-UHFFFAOYSA-N -1 1 316.195 2.700 20 0 DFADMM CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2c(F)cccc2Cl)O1 ZINC000188739039 426784391 /nfs/dbraw/zinc/78/43/91/426784391.db2.gz KUXYHAOMUDSNNC-VIFPVBQESA-N -1 1 321.801 2.715 20 0 DFADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC[C@@H]1c1ccccc1)c2=O ZINC000179403232 426787047 /nfs/dbraw/zinc/78/70/47/426787047.db2.gz VOAPMMUXUHKUOG-OAHLLOKOSA-N -1 1 322.368 2.651 20 0 DFADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000281897811 426787680 /nfs/dbraw/zinc/78/76/80/426787680.db2.gz FZGNMTKEAIQOPO-NUEKZKHPSA-N -1 1 307.365 2.687 20 0 DFADMM O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1cncc([O-])c1 ZINC000179012971 426735915 /nfs/dbraw/zinc/73/59/15/426735915.db2.gz LFOHAKOLMHDMNZ-GUYCJALGSA-N -1 1 312.369 2.685 20 0 DFADMM CCCOc1ccc(CNC(=O)c2cncc([O-])c2)c(C)c1 ZINC000188250466 426736358 /nfs/dbraw/zinc/73/63/58/426736358.db2.gz YFUPPSDGFSYGJL-UHFFFAOYSA-N -1 1 300.358 2.814 20 0 DFADMM CCC[C@@H](NC(=O)c1cccc2ccsc21)c1nn[n-]n1 ZINC000274408682 426761047 /nfs/dbraw/zinc/76/10/47/426761047.db2.gz RLKOUAZTWOHVGR-LLVKDONJSA-N -1 1 301.375 2.686 20 0 DFADMM Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CC[C@@H](C(=O)[O-])C1 ZINC000246495392 426838795 /nfs/dbraw/zinc/83/87/95/426838795.db2.gz PMRFDPBGPXJMCV-UONOGXRCSA-N -1 1 318.417 2.852 20 0 DFADMM O=C([N-]c1nnc(-c2ccsc2)s1)c1cncc(Cl)n1 ZINC000189338643 426843098 /nfs/dbraw/zinc/84/30/98/426843098.db2.gz QKFQTBXJQHSDGJ-UHFFFAOYSA-N -1 1 323.790 2.962 20 0 DFADMM O=C([O-])[C@@H]1CCN([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000246541971 426843584 /nfs/dbraw/zinc/84/35/84/426843584.db2.gz SKYMXIBMOSBNBG-WBVHZDCISA-N -1 1 324.380 2.773 20 0 DFADMM Cc1cccc(S(=O)(=O)[N-]c2cc3c(cc2C)OCO3)c1 ZINC000180357613 426854767 /nfs/dbraw/zinc/85/47/67/426854767.db2.gz NAUBCYVMVAGEBC-UHFFFAOYSA-N -1 1 305.355 2.833 20 0 DFADMM CCOCc1ccccc1CNC(=O)c1ccc([O-])cc1F ZINC000181116997 426915696 /nfs/dbraw/zinc/91/56/96/426915696.db2.gz SVHAIACTOSEZOZ-UHFFFAOYSA-N -1 1 303.333 2.998 20 0 DFADMM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cn1 ZINC000181121703 426917965 /nfs/dbraw/zinc/91/79/65/426917965.db2.gz WNBKQURWOPKUHZ-UHFFFAOYSA-N -1 1 306.387 2.898 20 0 DFADMM C[C@H](CNC(=O)c1ccc([O-])cc1F)N(C)c1ccccc1 ZINC000181135744 426918906 /nfs/dbraw/zinc/91/89/06/426918906.db2.gz FUIIRXJIEPYHDA-GFCCVEGCSA-N -1 1 302.349 2.786 20 0 DFADMM COc1ccc(OC)c(CCNC(=O)c2ccc([O-])cc2F)c1 ZINC000181170554 426922219 /nfs/dbraw/zinc/92/22/19/426922219.db2.gz YTINUCMRUQFEAR-UHFFFAOYSA-N -1 1 319.332 2.521 20 0 DFADMM NC(=O)c1cc(-c2csc([C@@H]3CCCOC3)n2)ccc1[O-] ZINC000290925205 426867955 /nfs/dbraw/zinc/86/79/55/426867955.db2.gz IEWYRQLMPGEQIR-SNVBAGLBSA-N -1 1 304.371 2.509 20 0 DFADMM O=C(NC[C@H]1CCC[C@H](O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000180588836 426871416 /nfs/dbraw/zinc/87/14/16/426871416.db2.gz FWSYOLSJMRJEMC-ONGXEEELSA-N -1 1 317.307 2.692 20 0 DFADMM C[C@H]1CSCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180576034 426872123 /nfs/dbraw/zinc/87/21/23/426872123.db2.gz WMQNPKYPNPKKEW-QMMMGPOBSA-N -1 1 305.321 2.989 20 0 DFADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@]2(CCOC2)C1 ZINC000180704701 426882047 /nfs/dbraw/zinc/88/20/47/426882047.db2.gz JQQVSHVACLTCON-AWEZNQCLSA-N -1 1 315.291 2.664 20 0 DFADMM CC(C)([N-]S(=O)(=O)c1cccc2cccnc21)C(F)(F)F ZINC000295273600 426887297 /nfs/dbraw/zinc/88/72/97/426887297.db2.gz ZOGDYOQANXEWHE-UHFFFAOYSA-N -1 1 318.320 2.854 20 0 DFADMM O=C(c1ccc([O-])cc1F)N1CCN(c2ccc(F)cc2)CC1 ZINC000181053901 426911447 /nfs/dbraw/zinc/91/14/47/426911447.db2.gz ALCGZSFOKCXYOY-UHFFFAOYSA-N -1 1 318.323 2.633 20 0 DFADMM Cc1cc(Cl)ccc1NC(=O)CN1CCC(C)(C(=O)[O-])CC1 ZINC000316841141 426950766 /nfs/dbraw/zinc/95/07/66/426950766.db2.gz LGTPBIMZHMMWAM-UHFFFAOYSA-N -1 1 324.808 2.774 20 0 DFADMM Cc1ccc2sc(C(=O)N(C)C[C@H](C)c3nn[n-]n3)cc2c1 ZINC000291688596 426954416 /nfs/dbraw/zinc/95/44/16/426954416.db2.gz 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306.753 2.531 20 0 DFADMM C[NH+](C)C[C@H](NC(=O)c1c([O-])cccc1F)c1ccccc1 ZINC000163776261 271090634 /nfs/dbraw/zinc/09/06/34/271090634.db2.gz KFHYMGVWERCVNQ-AWEZNQCLSA-N -1 1 302.349 2.564 20 0 DFADMM Cc1cc(F)c(S(=O)(=O)[N-]CC2CC(F)(F)C2)cc1F ZINC000292300816 427163341 /nfs/dbraw/zinc/16/33/41/427163341.db2.gz MWLGKVGDJMTZLL-UHFFFAOYSA-N -1 1 311.300 2.597 20 0 DFADMM Cc1cc(Br)c([O-])c(NC(=O)C[C@H](O)C(C)C)c1 ZINC000182909453 427166514 /nfs/dbraw/zinc/16/65/14/427166514.db2.gz BMQZNQYQSMULDR-NSHDSACASA-N -1 1 316.195 2.809 20 0 DFADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2)cc1 ZINC000174257553 271135982 /nfs/dbraw/zinc/13/59/82/271135982.db2.gz DQNJJWNQTAUHKK-UHFFFAOYSA-N -1 1 305.355 2.704 20 0 DFADMM Cc1cc(Br)c([O-])c(NC(=O)COCC2CC2)c1 ZINC000182909045 427165515 /nfs/dbraw/zinc/16/55/15/427165515.db2.gz UNVMPONOVDLEBD-UHFFFAOYSA-N -1 1 314.179 2.828 20 0 DFADMM Cc1noc([N-]C(=O)c2scc(C)c2Br)n1 ZINC000190893224 271224592 /nfs/dbraw/zinc/22/45/92/271224592.db2.gz 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CC(C)[C@H]1OCCC[C@H]1CN=c1nc(C(F)(F)F)[n-]s1 ZINC000342785499 428456693 /nfs/dbraw/zinc/45/66/93/428456693.db2.gz LQMDRYMRPKXVNJ-DTWKUNHWSA-N -1 1 309.357 2.842 20 0 DFADMM C[C@H]1C[C@H]1c1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)o1 ZINC000372142941 428419555 /nfs/dbraw/zinc/41/95/55/428419555.db2.gz GSNZHCXMYGSYEY-NTSWFWBYSA-N -1 1 300.240 2.792 20 0 DFADMM C[C@@H]1CN(Cc2cccc([O-])c2Cl)C[C@]2(CCCOC2)O1 ZINC000353290749 428469977 /nfs/dbraw/zinc/46/99/77/428469977.db2.gz WZXRBYVXQVSBJP-WBMJQRKESA-N -1 1 311.809 2.816 20 0 DFADMM COc1ccc2c(c1)CCN(C(=O)c1ccc([O-])cc1F)CC2 ZINC000372669841 428484273 /nfs/dbraw/zinc/48/42/73/428484273.db2.gz CZEAQKVEWLXLOM-UHFFFAOYSA-N -1 1 315.344 2.781 20 0 DFADMM O=S(=O)([N-]Cc1cccs1)c1cc(F)c(F)cc1F ZINC000357348347 428492865 /nfs/dbraw/zinc/49/28/65/428492865.db2.gz FELIIBGXPNFEGC-UHFFFAOYSA-N -1 1 307.318 2.644 20 0 DFADMM CC(C)(C)N1C[C@H](C(=O)Nc2ccc([O-])c(Cl)c2)CC1=O ZINC000357361313 428500127 /nfs/dbraw/zinc/50/01/27/428500127.db2.gz 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/nfs/dbraw/zinc/59/43/41/428594341.db2.gz SHSQIFQYMCWHDO-VHSXEESVSA-N -1 1 321.801 2.715 20 0 DFADMM CO[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000361976416 428606910 /nfs/dbraw/zinc/60/69/10/428606910.db2.gz IJTCPKCHGZYNOD-SKDRFNHKSA-N -1 1 321.801 2.573 20 0 DFADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H]2[C@H](C)[C@@H]2c2ccccc2)n1 ZINC000415633701 428607176 /nfs/dbraw/zinc/60/71/76/428607176.db2.gz ADFNXLCPJNPMNV-LERXQTSPSA-N -1 1 313.357 2.575 20 0 DFADMM Cc1cccc(OCCN(C)C(=O)c2ncc(C)cc2[O-])c1 ZINC000358626379 428613713 /nfs/dbraw/zinc/61/37/13/428613713.db2.gz HXGFQCIEBBEXJV-UHFFFAOYSA-N -1 1 300.358 2.555 20 0 DFADMM Cc1cc(Cl)ccc1C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000408177773 428615849 /nfs/dbraw/zinc/61/58/49/428615849.db2.gz RHEIDHRQVCUZLZ-JTQLQIEISA-N -1 1 321.764 2.757 20 0 DFADMM COc1cc(C(=O)[N-]c2nc(-c3ccccc3F)co2)on1 ZINC000373607185 428619269 /nfs/dbraw/zinc/61/92/69/428619269.db2.gz GIRYFEFEPMSKDU-UHFFFAOYSA-N -1 1 303.249 2.730 20 0 DFADMM Cc1cnc(C(=O)N2CCSC3(CCCCC3)C2)c([O-])c1 ZINC000408222991 428623011 /nfs/dbraw/zinc/62/30/11/428623011.db2.gz HEZACJGJECLANH-UHFFFAOYSA-N -1 1 306.431 2.988 20 0 DFADMM Cc1cnc(C(=O)N2CCC[C@@H](c3nccs3)C2)c([O-])c1 ZINC000408229094 428624386 /nfs/dbraw/zinc/62/43/86/428624386.db2.gz MQRKZSVFZUHCDV-LLVKDONJSA-N -1 1 303.387 2.572 20 0 DFADMM O=C(c1ccc([O-])cc1)C1CCN(c2cncc(Cl)n2)CC1 ZINC000373640841 428625821 /nfs/dbraw/zinc/62/58/21/428625821.db2.gz SNLRCFYNTHCGJE-UHFFFAOYSA-N -1 1 317.776 2.935 20 0 DFADMM CS[C@@H](C)CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000362119138 428628036 /nfs/dbraw/zinc/62/80/36/428628036.db2.gz RSJWLFDFEVVSRK-LBPRGKRZSA-N -1 1 321.442 2.955 20 0 DFADMM CC(=O)Nc1cccc([C@H](C)NC(=O)c2ncc(C)cc2[O-])c1 ZINC000358718457 428642578 /nfs/dbraw/zinc/64/25/78/428642578.db2.gz LUPREFCCGUHHEW-NSHDSACASA-N -1 1 313.357 2.545 20 0 DFADMM Cc1cnc(C(=O)N[C@@H](C)COc2ccc(F)cc2F)c([O-])c1 ZINC000358726149 428644144 /nfs/dbraw/zinc/64/41/44/428644144.db2.gz 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CCCc1cc(=O)[n-]c(SCC(=O)c2cc(C)ccn2)n1 ZINC000424084384 429090109 /nfs/dbraw/zinc/09/01/09/429090109.db2.gz OFQCEHWROLJOQD-UHFFFAOYSA-N -1 1 303.387 2.813 20 0 DFADMM CO[C@@H]1[C@H]2C[C@H]3CN(C(=O)c4ccc(Cl)cc4[O-])[C@H]1[C@H]3C2 ZINC000376075344 429052814 /nfs/dbraw/zinc/05/28/14/429052814.db2.gz VXHVGBVNEWQBEA-FGBYBXMZSA-N -1 1 307.777 2.541 20 0 DFADMM C[C@@H]1[C@@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)[C@@H]1c1ccccc1 ZINC000435576219 429149798 /nfs/dbraw/zinc/14/97/98/429149798.db2.gz GCSHHIQVMZWKGY-UJNFCWOMSA-N -1 1 310.279 2.812 20 0 DFADMM CCc1ccccc1NC(=O)CN1CCCC[C@H]1CCC(=O)[O-] ZINC000424263257 429116874 /nfs/dbraw/zinc/11/68/74/429116874.db2.gz RMZRERRERJJEFP-HNNXBMFYSA-N -1 1 318.417 2.907 20 0 DFADMM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000436167348 429184948 /nfs/dbraw/zinc/18/49/48/429184948.db2.gz BCPCNZLNLNXKOG-UHFFFAOYSA-N -1 1 323.345 2.722 20 0 DFADMM CCc1cc(=O)[n-]c(SCc2nncn2-c2ccccc2)n1 ZINC000436206870 429188433 /nfs/dbraw/zinc/18/84/33/429188433.db2.gz 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CCCN(C(=O)c1cc(F)ccc1[O-])[C@@H](CC)C(=O)OCC ZINC000436521085 297008747 /nfs/dbraw/zinc/00/87/47/297008747.db2.gz BRVTZNKVBAPXMH-ZDUSSCGKSA-N -1 1 311.353 2.725 20 0 DFADMM CCOc1cc(NC(=O)c2ccc(O)cc2[O-])ccc1OC ZINC000436522889 297009086 /nfs/dbraw/zinc/00/90/86/297009086.db2.gz YBCYYNYSQRQHKQ-UHFFFAOYSA-N -1 1 303.314 2.757 20 0 DFADMM O=C(NC[C@@H](CO)Cc1ccccc1)c1ccc(Cl)cc1[O-] ZINC000436527368 297009574 /nfs/dbraw/zinc/00/95/74/297009574.db2.gz IFQNIAHEBIZMCP-ZDUSSCGKSA-N -1 1 319.788 2.627 20 0 DFADMM CC(C)c1ccc(C(=O)Nc2cccnc2-n2cncn2)c([O-])c1 ZINC000436535367 297010308 /nfs/dbraw/zinc/01/03/08/297010308.db2.gz SENCYVWUSFCJSB-UHFFFAOYSA-N -1 1 323.356 2.744 20 0 DFADMM Cc1nc(C)n(Cc2cccc(NC(=O)c3ccccc3[O-])c2)n1 ZINC000436581142 297014999 /nfs/dbraw/zinc/01/49/99/297014999.db2.gz DPJOYAQGRKKSAS-UHFFFAOYSA-N -1 1 322.368 2.901 20 0 DFADMM COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1cc(F)ccc1[O-] ZINC000436586288 297015487 /nfs/dbraw/zinc/01/54/87/297015487.db2.gz BEAWSIKRYQVRCX-WMZOPIPTSA-N -1 1 315.344 3.000 20 0 DFADMM COc1cccc(O[C@@H](C)CNC(=O)c2cc(F)ccc2[O-])c1 ZINC000436588099 297015768 /nfs/dbraw/zinc/01/57/68/297015768.db2.gz GVYJXPMLVOHBNA-NSHDSACASA-N -1 1 319.332 2.737 20 0 DFADMM COc1ccccc1C(=O)CNC(=O)c1ccc(Cl)cc1[O-] ZINC000436606469 297017767 /nfs/dbraw/zinc/01/77/67/297017767.db2.gz RCLDODNLRWKVFC-UHFFFAOYSA-N -1 1 319.744 2.667 20 0 DFADMM O=C(C(=O)N1CCc2cc(Cl)ccc2C1)c1ccc([O-])cc1 ZINC000436622613 297018766 /nfs/dbraw/zinc/01/87/66/297018766.db2.gz DTJWWJNRAPFJRH-UHFFFAOYSA-N -1 1 315.756 2.813 20 0 DFADMM Cn1nc2c(c1CNC(=O)c1ccc(Cl)cc1[O-])CCCC2 ZINC000436639561 297020260 /nfs/dbraw/zinc/02/02/60/297020260.db2.gz DEQVEVVWLWQZCC-UHFFFAOYSA-N -1 1 319.792 2.588 20 0 DFADMM CCC[C@@H](NC(=O)c1cc(F)ccc1[O-])C(=O)OC(C)(C)C ZINC000436652213 297021840 /nfs/dbraw/zinc/02/18/40/297021840.db2.gz LAFDESGTFKLKBC-GFCCVEGCSA-N -1 1 311.353 2.772 20 0 DFADMM CCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])[C@@H]1CCOC1 ZINC000436658658 297022407 /nfs/dbraw/zinc/02/24/07/297022407.db2.gz VQNOGDKYAJZUMN-SNVBAGLBSA-N -1 1 303.280 2.662 20 0 DFADMM O=C(NCC1(c2ccc(F)cc2)CC1)C(=O)c1ccc([O-])cc1 ZINC000436670267 297023411 /nfs/dbraw/zinc/02/34/11/297023411.db2.gz DLGHZFRHIVZAGM-UHFFFAOYSA-N -1 1 313.328 2.562 20 0 DFADMM CCc1nocc1CN(C)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436670290 297023590 /nfs/dbraw/zinc/02/35/90/297023590.db2.gz DRPSHHXOVKGARK-UHFFFAOYSA-N -1 1 324.764 2.877 20 0 DFADMM CC(C)(CNC(=O)C(=O)c1ccc([O-])cc1)c1ccc(F)cc1 ZINC000436691809 297025527 /nfs/dbraw/zinc/02/55/27/297025527.db2.gz ZGUPNBNIOVYSOL-UHFFFAOYSA-N -1 1 315.344 2.808 20 0 DFADMM O=C(N[C@H](CO)CC(F)(F)F)c1cc2ccccc2cc1[O-] ZINC000436702137 297026035 /nfs/dbraw/zinc/02/60/35/297026035.db2.gz DDPIXQXKEMGECG-NSHDSACASA-N -1 1 313.275 2.589 20 0 DFADMM O=C(Nc1ccc([C@@H]2CCOC2)cc1)C(=O)c1ccc([O-])cc1 ZINC000436706602 297026686 /nfs/dbraw/zinc/02/66/86/297026686.db2.gz VFOMKRGBXRVCAX-CQSZACIVSA-N -1 1 311.337 2.718 20 0 DFADMM Cc1cccn2cc(CNC(=O)c3ccc(Cl)cc3[O-])nc12 ZINC000436721362 297028388 /nfs/dbraw/zinc/02/83/88/297028388.db2.gz XVAKMRFLWHSKEQ-UHFFFAOYSA-N -1 1 315.760 2.932 20 0 DFADMM CC(C)[C@H]1CN(C(=O)c2ccc3ccccc3c2O)CC[N@H+]1C ZINC000436727701 297029005 /nfs/dbraw/zinc/02/90/05/297029005.db2.gz BPVLBNNEMLTHSK-QGZVFWFLSA-N -1 1 312.413 2.958 20 0 DFADMM C[C@H]1C[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2[O-])CCO1 ZINC000436767578 297032964 /nfs/dbraw/zinc/03/29/64/297032964.db2.gz CHGGTIOIVPQIBF-VHSXEESVSA-N -1 1 317.307 2.956 20 0 DFADMM CC[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(OC)cc1 ZINC000436764815 297032970 /nfs/dbraw/zinc/03/29/70/297032970.db2.gz NOTFVPBHGXGJTG-INIZCTEOSA-N -1 1 313.353 2.851 20 0 DFADMM CN(C[C@H]1CCCO1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436766065 297032987 /nfs/dbraw/zinc/03/29/87/297032987.db2.gz ZJPDQTAEUZSXQE-SNVBAGLBSA-N -1 1 303.280 2.662 20 0 DFADMM O=C(N[C@H]1C[C@@H]1C(F)F)c1ccc(Br)cc1[O-] ZINC000436772502 297033433 /nfs/dbraw/zinc/03/34/33/297033433.db2.gz FNKFDPHWPGZWGO-YUMQZZPRSA-N -1 1 306.106 2.538 20 0 DFADMM CCCN1CCN(C(=O)c2ccc(Cl)cc2[O-])C(C)(C)C1=O ZINC000436784284 297034073 /nfs/dbraw/zinc/03/40/73/297034073.db2.gz WRGHAWZJTLYDMT-UHFFFAOYSA-N -1 1 324.808 2.519 20 0 DFADMM Cc1[nH]nc2nc(C)cc(C(=O)Nc3ccc(F)cc3[O-])c12 ZINC000436806421 297035760 /nfs/dbraw/zinc/03/57/60/297035760.db2.gz HPOJGSPMWZLFNX-UHFFFAOYSA-N -1 1 300.293 2.672 20 0 DFADMM CCOC(=O)CC(C)(C)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000436806605 297035822 /nfs/dbraw/zinc/03/58/22/297035822.db2.gz GSKQCJPMYYKBJB-UHFFFAOYSA-N -1 1 313.781 2.849 20 0 DFADMM CC(C)[C@@](C)(CO)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436813324 297036212 /nfs/dbraw/zinc/03/62/12/297036212.db2.gz ZZWGFJBJALWQLL-CYBMUJFWSA-N -1 1 305.296 2.548 20 0 DFADMM C[S@](=O)Cc1ccccc1NC(=O)c1ccc([O-])cc1F ZINC000436820362 297036939 /nfs/dbraw/zinc/03/69/39/297036939.db2.gz HKXIZTRQYOIGEZ-NRFANRHFSA-N -1 1 307.346 2.662 20 0 DFADMM Cc1cccc2c1OC[C@H](NC(=O)c1c([O-])cccc1F)C2 ZINC000436821300 297037167 /nfs/dbraw/zinc/03/71/67/297037167.db2.gz OQUJQNAZEWBQRY-GFCCVEGCSA-N -1 1 301.317 2.573 20 0 DFADMM CN1C[C@H](CNC(=O)c2c([O-])cccc2F)Cc2ccccc21 ZINC000436901890 297043410 /nfs/dbraw/zinc/04/34/10/297043410.db2.gz CYNMQQCCMCRWAC-LBPRGKRZSA-N -1 1 314.360 2.570 20 0 DFADMM COC(=O)c1ccc(C)c(NC(=O)c2ccc([O-])cc2F)c1O ZINC000436831942 297038627 /nfs/dbraw/zinc/03/86/27/297038627.db2.gz UTCQKGOOXIDKDE-UHFFFAOYSA-N -1 1 319.288 2.584 20 0 DFADMM CCOC(=O)COc1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000436849159 297039639 /nfs/dbraw/zinc/03/96/39/297039639.db2.gz DKOVTJNVDSWFTB-UHFFFAOYSA-N -1 1 315.325 2.586 20 0 DFADMM CCOc1cc(NC(=O)C(=O)c2ccc([O-])cc2)ccc1OC ZINC000436902532 297043522 /nfs/dbraw/zinc/04/35/22/297043522.db2.gz QHPHUIXODJMLJQ-UHFFFAOYSA-N -1 1 315.325 2.621 20 0 DFADMM O=C(NCc1c(F)cccc1Cl)C(=O)c1ccc([O-])cc1 ZINC000436892279 297042679 /nfs/dbraw/zinc/04/26/79/297042679.db2.gz IRHGQBHCGRKCRM-UHFFFAOYSA-N -1 1 307.708 2.684 20 0 DFADMM O=C(C(=O)N1Cc2ccccc2C2(CC2)C1)c1ccc([O-])cc1 ZINC000436917950 297044483 /nfs/dbraw/zinc/04/44/83/297044483.db2.gz YXLNRTZIGWGKJU-UHFFFAOYSA-N -1 1 307.349 2.649 20 0 DFADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1cscn1 ZINC000436915136 297044591 /nfs/dbraw/zinc/04/45/91/297044591.db2.gz MUIRBDLLNPMVCG-UHFFFAOYSA-N -1 1 321.749 2.540 20 0 DFADMM CC[C@@H](C)c1ncc(NC(=O)c2ccc(OC)cc2[O-])cn1 ZINC000436919935 297044921 /nfs/dbraw/zinc/04/49/21/297044921.db2.gz NGFGEBXGECALBH-SNVBAGLBSA-N -1 1 301.346 2.957 20 0 DFADMM CSc1cc(C)ccc1CNC(=O)C(=O)c1ccc([O-])cc1 ZINC000436944455 297046684 /nfs/dbraw/zinc/04/66/84/297046684.db2.gz QFALGDMQSULZAA-UHFFFAOYSA-N -1 1 315.394 2.922 20 0 DFADMM COc1ccc(C2(NC(=O)c3c([O-])cccc3F)CC2)cc1 ZINC000436954988 297047638 /nfs/dbraw/zinc/04/76/38/297047638.db2.gz BOZAERIZMCNHLZ-UHFFFAOYSA-N -1 1 301.317 2.959 20 0 DFADMM C[C@H](NC(=O)c1ccc(Br)cc1[O-])c1ccon1 ZINC000436974511 297048903 /nfs/dbraw/zinc/04/89/03/297048903.db2.gz ZEYCMHBNPQFGRF-ZETCQYMHSA-N -1 1 311.135 2.634 20 0 DFADMM Cc1ccc2c(c1)nc(CNC(=O)c1c([O-])cccc1F)n2C ZINC000436988850 297050835 /nfs/dbraw/zinc/05/08/35/297050835.db2.gz NDDXFZCFUTWFGW-UHFFFAOYSA-N -1 1 313.332 2.656 20 0 DFADMM Cn1cc(NC(=O)c2ccc([O-])cc2F)c(C(F)(F)F)n1 ZINC000436990839 297050883 /nfs/dbraw/zinc/05/08/83/297050883.db2.gz SPKRKWZDTXDMRL-UHFFFAOYSA-N -1 1 303.215 2.536 20 0 DFADMM O=C(C(=O)N1CC[C@H](c2ccccc2F)C1)c1ccc([O-])cc1 ZINC000437006605 297052633 /nfs/dbraw/zinc/05/26/33/297052633.db2.gz YIYPMWYOGMPIDV-ZDUSSCGKSA-N -1 1 313.328 2.730 20 0 DFADMM O=C(Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc([O-])cc1F ZINC000154916645 295309029 /nfs/dbraw/zinc/30/90/29/295309029.db2.gz ALTAVKVITFALLI-AWEZNQCLSA-N -1 1 317.316 2.951 20 0 DFADMM CC1(C)CCC[C@H](CC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)C1 ZINC000155499124 295319914 /nfs/dbraw/zinc/31/99/14/295319914.db2.gz SIFOLZVVYVGIAF-CHWSQXEVSA-N -1 1 305.426 2.512 20 0 DFADMM CC1(C)SC[C@@H]1NC(=O)c1cc(Br)ccc1[O-] ZINC000393844719 295481440 /nfs/dbraw/zinc/48/14/40/295481440.db2.gz YMFLSAIMBUHDIN-JTQLQIEISA-N -1 1 316.220 2.779 20 0 DFADMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc(SC)cc2)c1C ZINC000438240860 297085487 /nfs/dbraw/zinc/08/54/87/297085487.db2.gz VQUAIFUDKIMTAX-UHFFFAOYSA-N -1 1 311.432 2.803 20 0 DFADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc([S@](C)=O)cc1 ZINC000438758384 297103163 /nfs/dbraw/zinc/10/31/63/297103163.db2.gz NTUGZODFBLBJOS-IBGZPJMESA-N -1 1 309.412 2.533 20 0 DFADMM CC(C)[C@H]1CN(C(=O)c2cc(F)c([O-])c(Cl)c2)CCN1C ZINC000439057344 297113193 /nfs/dbraw/zinc/11/31/93/297113193.db2.gz KFSZALNDOQLQCW-CYBMUJFWSA-N -1 1 314.788 2.597 20 0 DFADMM Cc1cc2c[nH]nc2c(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000439695611 297135122 /nfs/dbraw/zinc/13/51/22/297135122.db2.gz FPVHWFXLQITTMP-AWEZNQCLSA-N -1 1 321.336 2.700 20 0 DFADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2CO[C@@H](C)C2)c1 ZINC000439745575 297136930 /nfs/dbraw/zinc/13/69/30/297136930.db2.gz LTTCRDQZDXRHQD-IUCAKERBSA-N -1 1 314.179 2.827 20 0 DFADMM COc1cc(C(=O)NCC2(C)CCOCC2)cc(Cl)c1[O-] ZINC000442678312 297200628 /nfs/dbraw/zinc/20/06/28/297200628.db2.gz KZUIFYVSSPXHRO-UHFFFAOYSA-N -1 1 313.781 2.601 20 0 DFADMM CN1C[C@H](CNC(=O)c2cc(F)ccc2[O-])Cc2ccccc21 ZINC000444543170 297239417 /nfs/dbraw/zinc/23/94/17/297239417.db2.gz JIWZOAJEXCCGRM-LBPRGKRZSA-N -1 1 314.360 2.570 20 0 DFADMM Cc1noc(C)c1S(=O)(=O)[N-][C@H](CC(F)(F)F)C(C)C ZINC000445697086 297265232 /nfs/dbraw/zinc/26/52/32/297265232.db2.gz MZLZDXIJAZBGPX-SECBINFHSA-N -1 1 314.329 2.547 20 0 DFADMM O=C(N[C@H]1CCc2ccccc2C1=O)c1ccc(Cl)cc1[O-] ZINC000446959287 297291258 /nfs/dbraw/zinc/29/12/58/297291258.db2.gz UPRUYYXMTYPPSU-AWEZNQCLSA-N -1 1 315.756 2.973 20 0 DFADMM CC(C)(C)c1n[n-]c(S(=O)(=O)Cc2cc3ccccc3o2)n1 ZINC000447501855 297305149 /nfs/dbraw/zinc/30/51/49/297305149.db2.gz PXYGNLIAPMAWNK-UHFFFAOYSA-N -1 1 319.386 2.822 20 0 DFADMM CC(C)(C)c1nc(S(=O)(=O)Cc2cc3ccccc3o2)n[n-]1 ZINC000447501855 297305151 /nfs/dbraw/zinc/30/51/51/297305151.db2.gz PXYGNLIAPMAWNK-UHFFFAOYSA-N -1 1 319.386 2.822 20 0 DFADMM O=S(=O)(C[C@@H]1CCCCO1)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447492228 297305182 /nfs/dbraw/zinc/30/51/82/297305182.db2.gz YOPSUQHSFULBEX-ZDUSSCGKSA-N -1 1 324.377 2.559 20 0 DFADMM O=S(=O)(C[C@@H]1CCCCO1)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447492228 297305183 /nfs/dbraw/zinc/30/51/83/297305183.db2.gz YOPSUQHSFULBEX-ZDUSSCGKSA-N -1 1 324.377 2.559 20 0 DFADMM CSC[C@@H](C)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451214148 297768059 /nfs/dbraw/zinc/76/80/59/297768059.db2.gz HBTIIGVTHKDMKF-MRVPVSSYSA-N -1 1 303.380 2.602 20 0 DFADMM CCc1cnc(C[N-]S(=O)(=O)c2sccc2Cl)s1 ZINC000451264870 297777666 /nfs/dbraw/zinc/77/76/66/297777666.db2.gz KNPIJOHVVGAYTO-UHFFFAOYSA-N -1 1 322.864 2.899 20 0 DFADMM O=S(=O)([N-]CC1(C(F)F)CC1)c1sccc1Cl ZINC000451482356 297813290 /nfs/dbraw/zinc/81/32/90/297813290.db2.gz VUUOKSCMYJNLNZ-UHFFFAOYSA-N -1 1 301.767 2.725 20 0 DFADMM COc1cc(C(=O)NCC2(OC)CCCC2)cc(Cl)c1[O-] ZINC000452582404 297996056 /nfs/dbraw/zinc/99/60/56/297996056.db2.gz WJDIUEVLRMTVLE-UHFFFAOYSA-N -1 1 313.781 2.743 20 0 DFADMM COC[C@H](CNC(=O)c1cncc([O-])c1)c1ccc(Cl)cc1 ZINC000452746207 298017995 /nfs/dbraw/zinc/01/79/95/298017995.db2.gz GDIKSQFSRUJALR-ZDUSSCGKSA-N -1 1 320.776 2.601 20 0 DFADMM Cc1cnc(C(=O)N2CC[C@H](C(F)(F)F)C[C@@H]2C)c([O-])c1 ZINC000456118653 298455492 /nfs/dbraw/zinc/45/54/92/298455492.db2.gz KIBWHJGRUKFBCZ-UWVGGRQHSA-N -1 1 302.296 2.899 20 0 DFADMM CC[C@@]1(C(C)C)C[C@H]1NC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000457272354 298686644 /nfs/dbraw/zinc/68/66/44/298686644.db2.gz IMFQAZSWMXTYJK-BMIGLBTASA-N -1 1 309.435 2.767 20 0 DFADMM CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[N-]C(=O)C(F)(F)F ZINC000495775451 299971049 /nfs/dbraw/zinc/97/10/49/299971049.db2.gz ROWDQIVJDXSFAN-VIFPVBQESA-N -1 1 312.332 2.604 20 0 DFADMM CC(C)(C)OC(=O)NCCCOC(=O)c1ccc([O-])cc1F ZINC000496604275 300086707 /nfs/dbraw/zinc/08/67/07/300086707.db2.gz FHHJIKXPEIDYKY-UHFFFAOYSA-N -1 1 313.325 2.603 20 0 DFADMM COC(=O)Nc1cccc(C(=O)Nc2nc(Cl)ccc2[O-])c1 ZINC000496932237 300134958 /nfs/dbraw/zinc/13/49/58/300134958.db2.gz WZEFPDLHYRZFTP-UHFFFAOYSA-N -1 1 321.720 2.871 20 0 DFADMM CCC(CC)(C[N-]C(=O)C(F)(F)F)NC(=O)OC(C)(C)C ZINC000497256484 300183605 /nfs/dbraw/zinc/18/36/05/300183605.db2.gz GGQMQIQQCXXAKI-UHFFFAOYSA-N -1 1 312.332 2.748 20 0 DFADMM CCc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)ccc1F ZINC000507567408 300237663 /nfs/dbraw/zinc/23/76/63/300237663.db2.gz QEJDUBHIBVHQMI-UHFFFAOYSA-N -1 1 323.345 2.918 20 0 DFADMM COCC1(CC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CC1 ZINC000514862734 300276022 /nfs/dbraw/zinc/27/60/22/300276022.db2.gz LNGIENSZNVJPEO-UHFFFAOYSA-N -1 1 301.346 2.538 20 0 DFADMM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C1CC1 ZINC000514893657 300278056 /nfs/dbraw/zinc/27/80/56/300278056.db2.gz OYRKAUCJZFBPLE-HNNXBMFYSA-N -1 1 323.414 2.508 20 0 DFADMM O=C([O-])CCN(Cc1ccc(F)c(F)c1)Cc1ccccn1 ZINC000515856361 300323323 /nfs/dbraw/zinc/32/33/23/300323323.db2.gz SYVNURVUPUGXDY-UHFFFAOYSA-N -1 1 306.312 2.837 20 0 DFADMM CC(C)CC(CC(C)C)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000516713929 300356935 /nfs/dbraw/zinc/35/69/35/300356935.db2.gz JHSBMPMBHPIUOW-ZDUSSCGKSA-N 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COc1ccccc1[C@@H](C)Sc1nccnc1-c1nn[n-]n1 ZINC000821882517 599067883 /nfs/dbraw/zinc/06/78/83/599067883.db2.gz CTPNSOYPNKIWAA-SECBINFHSA-N -1 1 314.374 2.519 20 0 DFADMM CC[C@@H](C)c1ccc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736327433 599149780 /nfs/dbraw/zinc/14/97/80/599149780.db2.gz KXUQVUNRYYYBLV-LLVKDONJSA-N -1 1 323.356 2.994 20 0 DFADMM CC[C@@H](C)c1ccc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736327433 599149783 /nfs/dbraw/zinc/14/97/83/599149783.db2.gz KXUQVUNRYYYBLV-LLVKDONJSA-N -1 1 323.356 2.994 20 0 DFADMM O=C([O-])C1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000314535522 596924706 /nfs/dbraw/zinc/92/47/06/596924706.db2.gz WQXAIEFUMZNAFO-UHFFFAOYSA-N -1 1 321.764 2.687 20 0 DFADMM CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N(C)CCC(=O)[O-] ZINC000818136070 596996255 /nfs/dbraw/zinc/99/62/55/596996255.db2.gz DULPLRHLQGTIIE-OLZOCXBDSA-N -1 1 306.406 2.934 20 0 DFADMM C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N(C)CCC(=O)[O-] ZINC000818075879 596996790 /nfs/dbraw/zinc/99/67/90/596996790.db2.gz TWKULODQOUSJSD-VIFPVBQESA-N -1 1 309.753 2.858 20 0 DFADMM C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CC[C@@H](C(=O)[O-])C1 ZINC000818075585 597530391 /nfs/dbraw/zinc/53/03/91/597530391.db2.gz BJYMZPVGGZGJGV-GXSJLCMTSA-N -1 1 321.764 2.858 20 0 DFADMM O=C([O-])c1cccc(CNCc2c(Cl)nc3ccccn32)c1 ZINC000821552311 598194263 /nfs/dbraw/zinc/19/42/63/598194263.db2.gz HOCFJVAJDXZHEO-UHFFFAOYSA-N -1 1 315.760 2.976 20 0 DFADMM C[C@H](CC(=O)[O-])N[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000820072209 598214991 /nfs/dbraw/zinc/21/49/91/598214991.db2.gz OSTRJLMGNBMUFG-QMTHXVAHSA-N -1 1 307.781 2.616 20 0 DFADMM C[C@@H](CC(=O)[O-])NCc1csc(CCc2ccccc2)n1 ZINC000820088799 598216356 /nfs/dbraw/zinc/21/63/56/598216356.db2.gz GNMKHNGANFYNCI-LBPRGKRZSA-N -1 1 304.415 2.881 20 0 DFADMM COc1ccccc1[C@@H](N[C@@H](C)CC(=O)[O-])c1ccccn1 ZINC000820876518 598217422 /nfs/dbraw/zinc/21/74/22/598217422.db2.gz OFEJPULTZAMHOO-YVEFUNNKSA-N -1 1 300.358 2.632 20 0 DFADMM CC(C)(C)[C@@H]1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC000735597625 598347883 /nfs/dbraw/zinc/34/78/83/598347883.db2.gz QTXQUDRWCWEGBP-NWDGAFQWSA-N -1 1 315.425 2.921 20 0 DFADMM CC(C)(C)[C@@H]1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC000735597625 598347885 /nfs/dbraw/zinc/34/78/85/598347885.db2.gz QTXQUDRWCWEGBP-NWDGAFQWSA-N -1 1 315.425 2.921 20 0 DFADMM Fc1cccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000737660322 598573735 /nfs/dbraw/zinc/57/37/35/598573735.db2.gz IJVWUROEENNVRC-UHFFFAOYSA-N -1 1 304.716 2.666 20 0 DFADMM Fc1cccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000737660322 598573737 /nfs/dbraw/zinc/57/37/37/598573737.db2.gz IJVWUROEENNVRC-UHFFFAOYSA-N -1 1 304.716 2.666 20 0 DFADMM CCCCn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000736467394 598720744 /nfs/dbraw/zinc/72/07/44/598720744.db2.gz DPWHVLQCNYILDU-UHFFFAOYSA-N -1 1 303.753 2.635 20 0 DFADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(F)c(F)c1 ZINC000736140198 599394348 /nfs/dbraw/zinc/39/43/48/599394348.db2.gz ZQLXDMGAXSQLPF-QMMMGPOBSA-N -1 1 302.288 2.713 20 0 DFADMM CN(Cc1ccc(F)cc1Cl)c1cccc(-c2nnn[n-]2)n1 ZINC000736819317 599431688 /nfs/dbraw/zinc/43/16/88/599431688.db2.gz JJZSREWGFWRSOS-UHFFFAOYSA-N -1 1 318.743 2.691 20 0 DFADMM CN(Cc1ccc(F)cc1Cl)c1cccc(-c2nn[n-]n2)n1 ZINC000736819317 599431690 /nfs/dbraw/zinc/43/16/90/599431690.db2.gz JJZSREWGFWRSOS-UHFFFAOYSA-N -1 1 318.743 2.691 20 0 DFADMM Cc1c2ccccc2oc1CNc1cccc(-c2nnn[n-]2)n1 ZINC000737211328 599438993 /nfs/dbraw/zinc/43/89/93/599438993.db2.gz LAWBNECARUTBLH-UHFFFAOYSA-N -1 1 306.329 2.928 20 0 DFADMM Cc1c2ccccc2oc1CNc1cccc(-c2nn[n-]n2)n1 ZINC000737211328 599438994 /nfs/dbraw/zinc/43/89/94/599438994.db2.gz LAWBNECARUTBLH-UHFFFAOYSA-N -1 1 306.329 2.928 20 0 DFADMM CN(CCc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)n1 ZINC000736804854 599439593 /nfs/dbraw/zinc/43/95/93/599439593.db2.gz YVHPOOQSBCMGCQ-UHFFFAOYSA-N -1 1 314.780 2.594 20 0 DFADMM CN(CCc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)n1 ZINC000736804854 599439595 /nfs/dbraw/zinc/43/95/95/599439595.db2.gz YVHPOOQSBCMGCQ-UHFFFAOYSA-N -1 1 314.780 2.594 20 0 DFADMM CSC[C@H](C)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821956352 599563830 /nfs/dbraw/zinc/56/38/30/599563830.db2.gz MSXKIRXMNVDGEI-VIFPVBQESA-N -1 1 300.391 2.578 20 0 DFADMM CSC[C@H](C)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821956352 599563831 /nfs/dbraw/zinc/56/38/31/599563831.db2.gz MSXKIRXMNVDGEI-VIFPVBQESA-N -1 1 300.391 2.578 20 0 DFADMM CCC[C@@](C)(NCC(=O)N1c2ccccc2CC[C@@H]1C)C(=O)[O-] ZINC000736965110 600151849 /nfs/dbraw/zinc/15/18/49/600151849.db2.gz RSJZLIGUOJOZSR-SCLBCKFNSA-N -1 1 318.417 2.587 20 0 DFADMM O=C([O-])[C@H]1CC12CCN(Cn1cc(-c3ccccc3)cn1)CC2 ZINC000739536073 600280025 /nfs/dbraw/zinc/28/00/25/600280025.db2.gz CFZGKWIOOHGROA-MRXNPFEDSA-N -1 1 311.385 2.694 20 0 DFADMM CC(C)Oc1ncccc1CN[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736492576 600423359 /nfs/dbraw/zinc/42/33/59/600423359.db2.gz HGXQNUCBIQQWKJ-HNNXBMFYSA-N -1 1 318.348 2.923 20 0 DFADMM CC(C)Oc1ncccc1CN[C@H](C(=O)[O-])c1ccccc1 ZINC000318225224 600424186 /nfs/dbraw/zinc/42/41/86/600424186.db2.gz GPOGSYGQDDNRLK-HNNXBMFYSA-N -1 1 300.358 2.784 20 0 DFADMM CCCOc1ncccc1CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000737035974 600429044 /nfs/dbraw/zinc/42/90/44/600429044.db2.gz YQPLAYOGOODWMG-OAHLLOKOSA-N -1 1 300.358 2.786 20 0 DFADMM CO[C@@H](CN[C@H](C(=O)[O-])c1cccc(Cl)c1)C(F)(F)F ZINC000737732034 600437998 /nfs/dbraw/zinc/43/79/98/600437998.db2.gz AZCHPSPKVKMJMA-UWVGGRQHSA-N -1 1 311.687 2.633 20 0 DFADMM C[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1)N(C)Cc1ccccc1 ZINC000736217440 600526881 /nfs/dbraw/zinc/52/68/81/600526881.db2.gz CUYIYPBKIWRGIJ-ZDUSSCGKSA-N -1 1 312.369 2.844 20 0 DFADMM CC(C)[C@@H](C(=O)OCc1cccc(C(=O)[O-])c1)N1CCCC1 ZINC000736350070 600735684 /nfs/dbraw/zinc/73/56/84/600735684.db2.gz UTHPUKLGKUUSAP-HNNXBMFYSA-N -1 1 305.374 2.548 20 0 DFADMM COCc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000831817132 600736801 /nfs/dbraw/zinc/73/68/01/600736801.db2.gz CERWCOMXAHWRSF-MRXNPFEDSA-N -1 1 303.333 2.888 20 0 DFADMM C[C@H](NCCCCC(=O)[O-])c1nc(Cc2ccccc2)no1 ZINC000827735235 600744141 /nfs/dbraw/zinc/74/41/41/600744141.db2.gz RSCFATZYBZFOLC-LBPRGKRZSA-N -1 1 303.362 2.566 20 0 DFADMM CC[C@H]1CCCN([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000829125283 600792565 /nfs/dbraw/zinc/79/25/65/600792565.db2.gz KATSGWMKOMJRSQ-AAEUAGOBSA-N -1 1 322.430 2.674 20 0 DFADMM CC(C)C[C@@H]1CCN(CC(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC000826841176 600823648 /nfs/dbraw/zinc/82/36/48/600823648.db2.gz WGZHSNBOBLKIFJ-ZDUSSCGKSA-N -1 1 304.390 2.691 20 0 DFADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCC[C@H]2CCC[C@H]21 ZINC000832917333 601019671 /nfs/dbraw/zinc/01/96/71/601019671.db2.gz WSGRHVZKCNWROY-CZUORRHYSA-N -1 1 316.401 2.896 20 0 DFADMM COC[C@@](C)(CC(=O)[O-])NCc1nc(-c2cccs2)oc1C ZINC000831584308 601134680 /nfs/dbraw/zinc/13/46/80/601134680.db2.gz DGLYEAXUUUVYOC-OAHLLOKOSA-N -1 1 324.402 2.681 20 0 DFADMM O=C([O-])N1CCN(CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000833279596 601157974 /nfs/dbraw/zinc/15/79/74/601157974.db2.gz AQXHPTQUZXQMAG-UHFFFAOYSA-N -1 1 316.323 2.934 20 0 DFADMM C[C@@](NCc1c(F)c(F)c(F)c(F)c1F)(C(=O)[O-])C1CC1 ZINC000827735201 601174374 /nfs/dbraw/zinc/17/43/74/601174374.db2.gz RHAZGVCURCTUTK-ZDUSSCGKSA-N -1 1 309.234 2.725 20 0 DFADMM O=C([O-])[C@H]1CCN(C(=O)c2cc(Cl)c3ccccc3c2O)C1 ZINC000819271203 601209605 /nfs/dbraw/zinc/20/96/05/601209605.db2.gz RHDWARMAXAQJKZ-VIFPVBQESA-N -1 1 319.744 2.746 20 0 DFADMM CC(C)[C@H]1CN(Cn2nc(C(=O)[O-])c3ccccc32)CCS1 ZINC000826742283 601401303 /nfs/dbraw/zinc/40/13/03/601401303.db2.gz YMGKYPIVSKDBQF-CQSZACIVSA-N -1 1 319.430 2.765 20 0 DFADMM Cc1cccc(C(C)C)c1NC(=O)CN1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000832965367 601500169 /nfs/dbraw/zinc/50/01/69/601500169.db2.gz AHUBCERLXMLDDT-DZGCQCFKSA-N -1 1 318.417 2.709 20 0 DFADMM C[C@@H]1CN(Cc2csc(Cc3ccccc3)n2)C[C@H]1C(=O)[O-] ZINC000828461964 601513192 /nfs/dbraw/zinc/51/31/92/601513192.db2.gz FUEJPCHGFZWJKH-IUODEOHRSA-N -1 1 316.426 2.886 20 0 DFADMM C[C@H]1CN(Cc2ccc(Br)s2)C[C@@H]1C(=O)[O-] ZINC000082557717 601518758 /nfs/dbraw/zinc/51/87/58/601518758.db2.gz FDDAGZCHOGYKBB-CBAPKCEASA-N -1 1 304.209 2.663 20 0 DFADMM C[C@H]1CN(Cc2cc(F)ccc2Br)C[C@H]1C(=O)[O-] ZINC000251757618 601525310 /nfs/dbraw/zinc/52/53/10/601525310.db2.gz LQTVDQMTTVLOBX-GZMMTYOYSA-N -1 1 316.170 2.741 20 0 DFADMM Cc1sc(C(=O)[O-])cc1CN1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000833033111 601633497 /nfs/dbraw/zinc/63/34/97/601633497.db2.gz VKMFEXULFRCNGH-ONGXEEELSA-N -1 1 323.336 2.642 20 0 DFADMM CC(C)C[C@@H](NC(=O)CN(Cc1ccccc1)C(C)C)C(=O)[O-] ZINC000032077322 601634142 /nfs/dbraw/zinc/63/41/42/601634142.db2.gz HCGAIOZGLMSKMM-MRXNPFEDSA-N -1 1 320.433 2.513 20 0 DFADMM CCCCN(CC)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000829389490 601634751 /nfs/dbraw/zinc/63/47/51/601634751.db2.gz LCZREBUINZRJTK-UHFFFAOYSA-N -1 1 303.362 2.656 20 0 DFADMM CCN(CC)C(=O)[C@@H]1CCCN1Cc1cc(C(=O)[O-])sc1C ZINC000829648456 601636442 /nfs/dbraw/zinc/63/64/42/601636442.db2.gz NLCCBPQVSPEAAK-ZDUSSCGKSA-N -1 1 324.446 2.588 20 0 DFADMM CC(C)[C@H](NCC(=O)N(Cc1ccccc1)C(C)(C)C)C(=O)[O-] ZINC000827092093 601823606 /nfs/dbraw/zinc/82/36/06/601823606.db2.gz RIBSCHHDHDFLOI-INIZCTEOSA-N -1 1 320.433 2.513 20 0 DFADMM O=C([O-])c1cc(CN[C@@H]2CCCOc3ccc(F)cc32)c[nH]1 ZINC000833296594 601832099 /nfs/dbraw/zinc/83/20/99/601832099.db2.gz KMKYWDBRZZJKDU-CYBMUJFWSA-N -1 1 304.321 2.856 20 0 DFADMM O=C([O-])c1cc(CNCC(=O)Nc2cccc3ccccc32)c[nH]1 ZINC000833110602 601833520 /nfs/dbraw/zinc/83/35/20/601833520.db2.gz UUQJHRQSMZQHRA-UHFFFAOYSA-N -1 1 323.352 2.594 20 0 DFADMM O=C([O-])CCC1CCN(CC(=O)NC2CCCCCCC2)CC1 ZINC000833224448 601841365 /nfs/dbraw/zinc/84/13/65/601841365.db2.gz KYMIEGBRNQUXJF-UHFFFAOYSA-N -1 1 324.465 2.792 20 0 DFADMM O=C([O-])CN(C(=O)c1cnc(-c2ccccc2)[nH]1)C1CCCC1 ZINC000833244624 601874159 /nfs/dbraw/zinc/87/41/59/601874159.db2.gz LUZULLCKQNGTPE-UHFFFAOYSA-N -1 1 313.357 2.546 20 0 DFADMM Cc1ccc(NC(=O)[C@@H](C)N2CC[C@](C)(C(=O)[O-])C2)c(Cl)c1 ZINC000832943374 601930974 /nfs/dbraw/zinc/93/09/74/601930974.db2.gz XDRIJBHQDWWCKM-BZNIZROVSA-N -1 1 324.808 2.772 20 0 DFADMM Cc1nc(CSCc2ccnc(-c3nnn[n-]3)c2)sc1C ZINC000826326658 607536123 /nfs/dbraw/zinc/53/61/23/607536123.db2.gz YYLBHJDBXNGXGB-UHFFFAOYSA-N -1 1 318.431 2.768 20 0 DFADMM Cc1nc(CSCc2ccnc(-c3nn[n-]n3)c2)sc1C ZINC000826326658 607536125 /nfs/dbraw/zinc/53/61/25/607536125.db2.gz YYLBHJDBXNGXGB-UHFFFAOYSA-N -1 1 318.431 2.768 20 0 DFADMM FC(F)(F)c1cccc(OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826369207 607540896 /nfs/dbraw/zinc/54/08/96/607540896.db2.gz SAKFQNHHFAXCPG-UHFFFAOYSA-N -1 1 321.262 2.860 20 0 DFADMM FC(F)(F)c1cccc(OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826369207 607540898 /nfs/dbraw/zinc/54/08/98/607540898.db2.gz SAKFQNHHFAXCPG-UHFFFAOYSA-N -1 1 321.262 2.860 20 0 DFADMM C[C@H](CC(=O)[O-])C(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000827273815 602158493 /nfs/dbraw/zinc/15/84/93/602158493.db2.gz UOMHDGRHNFWTJY-HTQZYQBOSA-N -1 1 309.753 2.504 20 0 DFADMM CC[C@H](C)[C@H](NCC(=O)Nc1c(C)cc(C)cc1C)C(=O)[O-] ZINC000263124030 602263552 /nfs/dbraw/zinc/26/35/52/602263552.db2.gz MIUPJCTYGWQCTP-ZBEGNZNMSA-N -1 1 306.406 2.639 20 0 DFADMM Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])oc1C ZINC000833015393 602344476 /nfs/dbraw/zinc/34/44/76/602344476.db2.gz KGEAIJZXFIAWRT-CQSZACIVSA-N -1 1 303.362 2.665 20 0 DFADMM Cc1nn(C)cc1[C@H]1CCCN1Cc1cc(C(=O)[O-])oc1C ZINC000833015393 602344480 /nfs/dbraw/zinc/34/44/80/602344480.db2.gz KGEAIJZXFIAWRT-CQSZACIVSA-N -1 1 303.362 2.665 20 0 DFADMM CCN1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739455030 602470975 /nfs/dbraw/zinc/47/09/75/602470975.db2.gz NMINOTIWKNTKOS-OAHLLOKOSA-N -1 1 317.389 2.540 20 0 DFADMM O=C([O-])NCc1cccc(NC(=O)c2cccc3cn[nH]c32)c1 ZINC000740679976 602515681 /nfs/dbraw/zinc/51/56/81/602515681.db2.gz HUCKZXGLEYGPHH-UHFFFAOYSA-N -1 1 310.313 2.583 20 0 DFADMM COc1cc(CN2CCC(CNC(=O)[O-])CC2)ccc1SC ZINC000739858661 602735452 /nfs/dbraw/zinc/73/54/52/602735452.db2.gz HISZORYFGVLBSO-UHFFFAOYSA-N -1 1 324.446 2.897 20 0 DFADMM COc1cccc(CN2CCCC[C@@H]2[C@@H]2CCCN2C(=O)[O-])n1 ZINC000739947757 602866858 /nfs/dbraw/zinc/86/68/58/602866858.db2.gz 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605815335 /nfs/dbraw/zinc/81/53/35/605815335.db2.gz BRYIOEUFAIJFGF-TUAOUCFPSA-N -1 1 323.364 2.828 20 0 DFADMM CC(C)[C@H](C(=O)OCc1cc(C(=O)[O-])ccc1F)N1CCCC1 ZINC000833466100 605815513 /nfs/dbraw/zinc/81/55/13/605815513.db2.gz RVKUOZISCWQJSE-OAHLLOKOSA-N -1 1 323.364 2.688 20 0 DFADMM O=C([O-])N1CCc2c1cccc2NC(=O)c1ccc(F)cc1O ZINC000834056547 605831870 /nfs/dbraw/zinc/83/18/70/605831870.db2.gz QVZZGNWATZVYDJ-UHFFFAOYSA-N -1 1 316.288 2.824 20 0 DFADMM O=C([O-])Nc1cccc(CN2CCCN(CC(F)F)CC2)c1 ZINC000834269176 605895186 /nfs/dbraw/zinc/89/51/86/605895186.db2.gz RTODEURKQZLFOW-UHFFFAOYSA-N -1 1 313.348 2.549 20 0 DFADMM O=C([O-])N1CCC2(CCN(Cc3ccnc(Cl)c3)C2)CC1 ZINC000834091492 605900204 /nfs/dbraw/zinc/90/02/04/605900204.db2.gz DQKGAOWDIKBMFP-UHFFFAOYSA-N -1 1 309.797 2.701 20 0 DFADMM O=C([O-])N1CCC2(CCN(Cc3ccc(Cl)nc3)C2)CC1 ZINC000834091953 605900522 /nfs/dbraw/zinc/90/05/22/605900522.db2.gz MXPALQKNFYAZDU-UHFFFAOYSA-N -1 1 309.797 2.701 20 0 DFADMM O=C([O-])N[C@H]1CCN(Cc2ccc(SC(F)F)cc2)C1 ZINC000740597030 605922419 /nfs/dbraw/zinc/92/24/19/605922419.db2.gz SKOIHINJEKGEJF-JTQLQIEISA-N -1 1 302.346 2.843 20 0 DFADMM O=C(OCc1cccc(F)c1F)c1ccc(-c2nnn[n-]2)s1 ZINC000823430173 606138450 /nfs/dbraw/zinc/13/84/50/606138450.db2.gz GGKOBDVPMWXOKR-UHFFFAOYSA-N -1 1 322.296 2.563 20 0 DFADMM O=C(OCc1cccc(F)c1F)c1ccc(-c2nn[n-]n2)s1 ZINC000823430173 606138451 /nfs/dbraw/zinc/13/84/51/606138451.db2.gz GGKOBDVPMWXOKR-UHFFFAOYSA-N -1 1 322.296 2.563 20 0 DFADMM CSc1ccc(Nc2nccnc2-c2nnn[n-]2)cc1Cl ZINC000821984794 606166920 /nfs/dbraw/zinc/16/69/20/606166920.db2.gz SZFCDWQBFZZOKQ-UHFFFAOYSA-N -1 1 319.781 2.776 20 0 DFADMM CSc1ccc(Nc2nccnc2-c2nn[n-]n2)cc1Cl ZINC000821984794 606166922 /nfs/dbraw/zinc/16/69/22/606166922.db2.gz SZFCDWQBFZZOKQ-UHFFFAOYSA-N -1 1 319.781 2.776 20 0 DFADMM CCCC[C@@H](CC)C(=O)N(C)c1snc(C)c1-c1nnn[n-]1 ZINC000821040505 606237158 /nfs/dbraw/zinc/23/71/58/606237158.db2.gz MJQVLNZVOKJFNW-SNVBAGLBSA-N -1 1 322.438 2.811 20 0 DFADMM CCCC[C@@H](CC)C(=O)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC000821040505 606237159 /nfs/dbraw/zinc/23/71/59/606237159.db2.gz MJQVLNZVOKJFNW-SNVBAGLBSA-N -1 1 322.438 2.811 20 0 DFADMM C[C@@H]1CCCC[C@H]1CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820698986 606295187 /nfs/dbraw/zinc/29/51/87/606295187.db2.gz XEXHTERDUHSOPJ-MNOVXSKESA-N -1 1 315.377 2.727 20 0 DFADMM COc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000821835249 606411771 /nfs/dbraw/zinc/41/17/71/606411771.db2.gz GCISPUNTOZRGBC-UHFFFAOYSA-N -1 1 317.374 2.558 20 0 DFADMM COc1cccc([C@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)c1 ZINC000821864293 606446847 /nfs/dbraw/zinc/44/68/47/606446847.db2.gz WAFXFRWCXZKDKC-OAHLLOKOSA-N -1 1 322.372 2.612 20 0 DFADMM COc1cccc([C@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)c1 ZINC000821864293 606446849 /nfs/dbraw/zinc/44/68/49/606446849.db2.gz WAFXFRWCXZKDKC-OAHLLOKOSA-N -1 1 322.372 2.612 20 0 DFADMM c1coc(CN(Cc2ccco2)c2cccc(-c3nnn[n-]3)n2)c1 ZINC000823742585 606447861 /nfs/dbraw/zinc/44/78/61/606447861.db2.gz IAGGHCQGSYCHQY-UHFFFAOYSA-N -1 1 322.328 2.655 20 0 DFADMM c1coc(CN(Cc2ccco2)c2cccc(-c3nn[n-]n3)n2)c1 ZINC000823742585 606447864 /nfs/dbraw/zinc/44/78/64/606447864.db2.gz IAGGHCQGSYCHQY-UHFFFAOYSA-N -1 1 322.328 2.655 20 0 DFADMM Cc1ccc([C@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)cc1 ZINC000822233410 606449157 /nfs/dbraw/zinc/44/91/57/606449157.db2.gz OGKLXFITKDGGSK-OAHLLOKOSA-N -1 1 306.373 2.912 20 0 DFADMM Cc1ccc([C@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)cc1 ZINC000822233410 606449158 /nfs/dbraw/zinc/44/91/58/606449158.db2.gz OGKLXFITKDGGSK-OAHLLOKOSA-N -1 1 306.373 2.912 20 0 DFADMM Cc1ccccc1[C@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000822350963 606458696 /nfs/dbraw/zinc/45/86/96/606458696.db2.gz IJSCITDAZYUPQJ-OAHLLOKOSA-N -1 1 306.373 2.912 20 0 DFADMM Cc1ccccc1[C@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000822350963 606458697 /nfs/dbraw/zinc/45/86/97/606458697.db2.gz IJSCITDAZYUPQJ-OAHLLOKOSA-N -1 1 306.373 2.912 20 0 DFADMM CCc1nc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cs1 ZINC000821510041 606464272 /nfs/dbraw/zinc/46/42/72/606464272.db2.gz UCTFJRIFVBRHNY-UHFFFAOYSA-N -1 1 321.797 2.546 20 0 DFADMM CCc1nc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cs1 ZINC000821510041 606464273 /nfs/dbraw/zinc/46/42/73/606464273.db2.gz UCTFJRIFVBRHNY-UHFFFAOYSA-N -1 1 321.797 2.546 20 0 DFADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000820513046 606493640 /nfs/dbraw/zinc/49/36/40/606493640.db2.gz SSCISQXHHGJQQL-SECBINFHSA-N -1 1 300.343 2.846 20 0 DFADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000820513046 606493641 /nfs/dbraw/zinc/49/36/41/606493641.db2.gz SSCISQXHHGJQQL-SECBINFHSA-N -1 1 300.343 2.846 20 0 DFADMM CCC1CCC(NC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000820972884 606503595 /nfs/dbraw/zinc/50/35/95/606503595.db2.gz RLNFGNNWSYQNAZ-UHFFFAOYSA-N -1 1 305.407 2.627 20 0 DFADMM CCC1CCC(NC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000820972884 606503596 /nfs/dbraw/zinc/50/35/96/606503596.db2.gz RLNFGNNWSYQNAZ-UHFFFAOYSA-N -1 1 305.407 2.627 20 0 DFADMM CCCc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000821138895 606518055 /nfs/dbraw/zinc/51/80/55/606518055.db2.gz JOYOGJWYNRVCMG-UHFFFAOYSA-N -1 1 323.356 2.571 20 0 DFADMM CCCc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000821138895 606518057 /nfs/dbraw/zinc/51/80/57/606518057.db2.gz JOYOGJWYNRVCMG-UHFFFAOYSA-N -1 1 323.356 2.571 20 0 DFADMM Cc1ccc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)s1 ZINC000822228958 606531559 /nfs/dbraw/zinc/53/15/59/606531559.db2.gz JNLLPPLPCKEIKR-QMMMGPOBSA-N -1 1 319.415 2.789 20 0 DFADMM Cc1ccc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)s1 ZINC000822228958 606531560 /nfs/dbraw/zinc/53/15/60/606531560.db2.gz JNLLPPLPCKEIKR-QMMMGPOBSA-N -1 1 319.415 2.789 20 0 DFADMM Cn1ccc2c1cccc2NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822690089 606545745 /nfs/dbraw/zinc/54/57/45/606545745.db2.gz RZSXLBZBCOOZEQ-UHFFFAOYSA-N -1 1 324.369 2.672 20 0 DFADMM Cn1ccc2c1cccc2NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822690089 606545746 /nfs/dbraw/zinc/54/57/46/606545746.db2.gz RZSXLBZBCOOZEQ-UHFFFAOYSA-N -1 1 324.369 2.672 20 0 DFADMM CC[C@@H]1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820972373 606571237 /nfs/dbraw/zinc/57/12/37/606571237.db2.gz NUKXOTBFTGDMTL-NXEZZACHSA-N -1 1 305.407 2.627 20 0 DFADMM CC[C@@H]1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820972373 606571241 /nfs/dbraw/zinc/57/12/41/606571241.db2.gz NUKXOTBFTGDMTL-NXEZZACHSA-N -1 1 305.407 2.627 20 0 DFADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC2(C1)CCCCC2 ZINC000823484446 606575317 /nfs/dbraw/zinc/57/53/17/606575317.db2.gz YECKAMQUIPZYGQ-UHFFFAOYSA-N -1 1 317.418 2.725 20 0 DFADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC2(C1)CCCCC2 ZINC000823484446 606575318 /nfs/dbraw/zinc/57/53/18/606575318.db2.gz YECKAMQUIPZYGQ-UHFFFAOYSA-N -1 1 317.418 2.725 20 0 DFADMM Fc1ccc(-c2noc(-c3ccc(-c4nnn[n-]4)s3)n2)cc1 ZINC000822762065 606620496 /nfs/dbraw/zinc/62/04/96/606620496.db2.gz YFTJJQUNMQLJPI-UHFFFAOYSA-N -1 1 314.305 2.784 20 0 DFADMM Fc1ccc(-c2noc(-c3ccc(-c4nn[n-]n4)s3)n2)cc1 ZINC000822762065 606620497 /nfs/dbraw/zinc/62/04/97/606620497.db2.gz YFTJJQUNMQLJPI-UHFFFAOYSA-N -1 1 314.305 2.784 20 0 DFADMM CCCC[C@H](CCC)CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821040411 606625671 /nfs/dbraw/zinc/62/56/71/606625671.db2.gz LIRRQHBVYFFFSZ-LBPRGKRZSA-N -1 1 316.409 2.598 20 0 DFADMM CCCC[C@H](CCC)CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821040411 606625672 /nfs/dbraw/zinc/62/56/72/606625672.db2.gz LIRRQHBVYFFFSZ-LBPRGKRZSA-N -1 1 316.409 2.598 20 0 DFADMM C[C@@H]1CCC[C@H](CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC000820697428 606646672 /nfs/dbraw/zinc/64/66/72/606646672.db2.gz HEVJALZNCMBFIL-NEPJUHHUSA-N -1 1 315.377 2.521 20 0 DFADMM C[C@@H]1CCC[C@H](CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC000820697428 606646673 /nfs/dbraw/zinc/64/66/73/606646673.db2.gz HEVJALZNCMBFIL-NEPJUHHUSA-N -1 1 315.377 2.521 20 0 DFADMM C[C@@H](CC(=O)OCc1ccnc(-c2nnn[n-]2)c1)CC(C)(C)C ZINC000820225851 606650821 /nfs/dbraw/zinc/65/08/21/606650821.db2.gz QOWRQSLPYHKAQQ-NSHDSACASA-N -1 1 317.393 2.767 20 0 DFADMM C[C@@H](CC(=O)OCc1ccnc(-c2nn[n-]n2)c1)CC(C)(C)C ZINC000820225851 606650822 /nfs/dbraw/zinc/65/08/22/606650822.db2.gz QOWRQSLPYHKAQQ-NSHDSACASA-N -1 1 317.393 2.767 20 0 DFADMM C[C@@H]1CCCC[C@H]1CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820698135 606651771 /nfs/dbraw/zinc/65/17/71/606651771.db2.gz QFDJXLKXMCXMEX-YPMHNXCESA-N -1 1 315.377 2.521 20 0 DFADMM C[C@@H]1CCCC[C@H]1CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820698135 606651772 /nfs/dbraw/zinc/65/17/72/606651772.db2.gz QFDJXLKXMCXMEX-YPMHNXCESA-N -1 1 315.377 2.521 20 0 DFADMM c1ccc(Oc2ncccc2-c2nn[n-]n2)c(NCC2CC2)c1 ZINC000823792469 606865073 /nfs/dbraw/zinc/86/50/73/606865073.db2.gz UKIHFTHEORYVBB-UHFFFAOYSA-N -1 1 308.345 2.876 20 0 DFADMM O=c1c(-c2nn[n-]n2)cn(C/C(Cl)=C/Cl)c2ccccc12 ZINC000823656391 606868015 /nfs/dbraw/zinc/86/80/15/606868015.db2.gz CVSPPPNZBYIFNQ-YVMONPNESA-N -1 1 322.155 2.501 20 0 DFADMM CCC[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821039626 606872775 /nfs/dbraw/zinc/87/27/75/606872775.db2.gz FNISRTCWPAGPQQ-SNVBAGLBSA-N -1 1 305.407 2.581 20 0 DFADMM CCC[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821039626 606872774 /nfs/dbraw/zinc/87/27/74/606872774.db2.gz FNISRTCWPAGPQQ-SNVBAGLBSA-N -1 1 305.407 2.581 20 0 DFADMM CCCc1ccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000821139375 607104138 /nfs/dbraw/zinc/10/41/38/607104138.db2.gz WDIJOXLNLTWHCP-UHFFFAOYSA-N -1 1 314.374 2.528 20 0 DFADMM CCCc1ccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000821139375 607104140 /nfs/dbraw/zinc/10/41/40/607104140.db2.gz WDIJOXLNLTWHCP-UHFFFAOYSA-N -1 1 314.374 2.528 20 0 DFADMM CC(C)CC[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820072052 607163625 /nfs/dbraw/zinc/16/36/25/607163625.db2.gz AFOSDUUJCLLYLL-LLVKDONJSA-N -1 1 319.434 2.969 20 0 DFADMM CC(C)CC[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820072052 607163627 /nfs/dbraw/zinc/16/36/27/607163627.db2.gz AFOSDUUJCLLYLL-LLVKDONJSA-N -1 1 319.434 2.969 20 0 DFADMM Cc1cc(N2CCCC2)ccc1Nc1cccc(-c2nn[n-]n2)n1 ZINC000826269615 607894875 /nfs/dbraw/zinc/89/48/75/607894875.db2.gz RJYKIWKHUYIHHD-UHFFFAOYSA-N -1 1 321.388 2.914 20 0 DFADMM C[C@H](c1ccc(F)c(F)c1)N(C)c1cccc(-c2nnn[n-]2)n1 ZINC000824763066 607896309 /nfs/dbraw/zinc/89/63/09/607896309.db2.gz JYPXQYBOUFJQAA-SECBINFHSA-N -1 1 316.315 2.737 20 0 DFADMM C[C@H](c1ccc(F)c(F)c1)N(C)c1cccc(-c2nn[n-]n2)n1 ZINC000824763066 607896310 /nfs/dbraw/zinc/89/63/10/607896310.db2.gz JYPXQYBOUFJQAA-SECBINFHSA-N -1 1 316.315 2.737 20 0 DFADMM C[C@H]1C[C@@H](c2ccccc2F)N(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000824899699 607900494 /nfs/dbraw/zinc/90/04/94/607900494.db2.gz NEPKZRKPTYXHSC-NHYWBVRUSA-N -1 1 324.363 2.988 20 0 DFADMM C[C@H]1C[C@@H](c2ccccc2F)N(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000824899699 607900495 /nfs/dbraw/zinc/90/04/95/607900495.db2.gz NEPKZRKPTYXHSC-NHYWBVRUSA-N -1 1 324.363 2.988 20 0 DFADMM C[C@@H]1C[C@@H](c2ccccc2F)N(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000824899697 607900515 /nfs/dbraw/zinc/90/05/15/607900515.db2.gz NEPKZRKPTYXHSC-ABAIWWIYSA-N -1 1 324.363 2.988 20 0 DFADMM C[C@@H]1C[C@@H](c2ccccc2F)N(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000824899697 607900516 /nfs/dbraw/zinc/90/05/16/607900516.db2.gz NEPKZRKPTYXHSC-ABAIWWIYSA-N -1 1 324.363 2.988 20 0 DFADMM C[C@H]1CCN(c2cccc(-c3nnn[n-]3)n2)[C@@H]1c1cccc(F)c1 ZINC000824962118 607900901 /nfs/dbraw/zinc/90/09/01/607900901.db2.gz OLRVINCAFHQLEH-ZBEGNZNMSA-N -1 1 324.363 2.988 20 0 DFADMM C[C@H]1CCN(c2cccc(-c3nn[n-]n3)n2)[C@@H]1c1cccc(F)c1 ZINC000824962118 607900902 /nfs/dbraw/zinc/90/09/02/607900902.db2.gz OLRVINCAFHQLEH-ZBEGNZNMSA-N -1 1 324.363 2.988 20 0 DFADMM CCCC[C@@H](CC)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825260730 607998373 /nfs/dbraw/zinc/99/83/73/607998373.db2.gz QUOACXWDGZWYDW-SNVBAGLBSA-N -1 1 303.366 2.727 20 0 DFADMM CCSCc1ccnc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000825675141 608057368 /nfs/dbraw/zinc/05/73/68/608057368.db2.gz XFQZWSZNOAWFIC-UHFFFAOYSA-N -1 1 316.390 2.720 20 0 DFADMM CCSCc1ccnc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000825675141 608057369 /nfs/dbraw/zinc/05/73/69/608057369.db2.gz XFQZWSZNOAWFIC-UHFFFAOYSA-N -1 1 316.390 2.720 20 0 DFADMM C[C@@H]1CCc2ccccc2[C@@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000824969002 608099058 /nfs/dbraw/zinc/09/90/58/608099058.db2.gz RZQFSCPBZQQETG-BDJLRTHQSA-N -1 1 306.373 2.997 20 0 DFADMM C[C@@H]1CCc2ccccc2[C@@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000824969002 608099059 /nfs/dbraw/zinc/09/90/59/608099059.db2.gz RZQFSCPBZQQETG-BDJLRTHQSA-N -1 1 306.373 2.997 20 0 DFADMM Cc1cc(OCCn2ccnc2-c2nnn[n-]2)ccc1C(C)C ZINC000826271955 608148967 /nfs/dbraw/zinc/14/89/67/608148967.db2.gz OSGQEXPKFUZPML-UHFFFAOYSA-N -1 1 312.377 2.574 20 0 DFADMM Cc1cc(OCCn2ccnc2-c2nn[n-]n2)ccc1C(C)C ZINC000826271955 608148969 /nfs/dbraw/zinc/14/89/69/608148969.db2.gz OSGQEXPKFUZPML-UHFFFAOYSA-N -1 1 312.377 2.574 20 0 DFADMM COCc1cccc(Nc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000826164685 608173804 /nfs/dbraw/zinc/17/38/04/608173804.db2.gz KYSHGNDDNLFEBD-UHFFFAOYSA-N -1 1 322.781 2.867 20 0 DFADMM COCc1cccc(Nc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000826164685 608173806 /nfs/dbraw/zinc/17/38/06/608173806.db2.gz KYSHGNDDNLFEBD-UHFFFAOYSA-N -1 1 322.781 2.867 20 0 DFADMM CC(C)C[C@@H]1CCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000824243688 608180238 /nfs/dbraw/zinc/18/02/38/608180238.db2.gz LZBBCAAOYJLTKY-QMMMGPOBSA-N -1 1 312.830 2.992 20 0 DFADMM CC(C)C[C@@H]1CCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000824243688 608180240 /nfs/dbraw/zinc/18/02/40/608180240.db2.gz LZBBCAAOYJLTKY-QMMMGPOBSA-N -1 1 312.830 2.992 20 0 DFADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(F)c(Cl)c1 ZINC000824656434 608402481 /nfs/dbraw/zinc/40/24/81/608402481.db2.gz JYXYNZYGEUAYAP-ZETCQYMHSA-N -1 1 319.731 2.622 20 0 DFADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(F)c(Cl)c1 ZINC000824656434 608402482 /nfs/dbraw/zinc/40/24/82/608402482.db2.gz JYXYNZYGEUAYAP-ZETCQYMHSA-N -1 1 319.731 2.622 20 0 DFADMM C[C@H](CC(C)(C)c1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824390739 608404451 /nfs/dbraw/zinc/40/44/51/608404451.db2.gz CRYJXEWYLJSIPG-GFCCVEGCSA-N -1 1 323.404 2.825 20 0 DFADMM C[C@H](CC(C)(C)c1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824390739 608404452 /nfs/dbraw/zinc/40/44/52/608404452.db2.gz CRYJXEWYLJSIPG-GFCCVEGCSA-N -1 1 323.404 2.825 20 0 DFADMM Clc1ccc(SCCn2ccnc2-c2nnn[n-]2)cc1 ZINC000826352685 608888923 /nfs/dbraw/zinc/88/89/23/608888923.db2.gz KHCNABSYABGGIL-UHFFFAOYSA-N -1 1 306.782 2.509 20 0 DFADMM Clc1ccc(SCCn2ccnc2-c2nn[n-]n2)cc1 ZINC000826352685 608888928 /nfs/dbraw/zinc/88/89/28/608888928.db2.gz KHCNABSYABGGIL-UHFFFAOYSA-N -1 1 306.782 2.509 20 0 DFADMM Fc1cc2c(cc1F)N(Cc1ccc(-c3nn[n-]n3)s1)CC2 ZINC000826373016 609203261 /nfs/dbraw/zinc/20/32/61/609203261.db2.gz WIQOVFQQGZECLZ-UHFFFAOYSA-N -1 1 319.340 2.769 20 0 DFADMM CC1(C)C[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C(C)(C)O1 ZINC000824791197 609318915 /nfs/dbraw/zinc/31/89/15/609318915.db2.gz XEXLMKWVPOCSIM-VIFPVBQESA-N -1 1 322.800 2.673 20 0 DFADMM CC1(C)C[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C(C)(C)O1 ZINC000824791197 609318916 /nfs/dbraw/zinc/31/89/16/609318916.db2.gz XEXLMKWVPOCSIM-VIFPVBQESA-N -1 1 322.800 2.673 20 0 DFADMM C[C@@H]1CC[C@]2(CCN(c3snc(Cl)c3-c3nnn[n-]3)C2)C1 ZINC000824919091 609389844 /nfs/dbraw/zinc/38/98/44/609389844.db2.gz RRDNEIHCDDQSSD-OQPBUACISA-N -1 1 324.841 2.993 20 0 DFADMM C[C@@H]1CC[C@]2(CCN(c3snc(Cl)c3-c3nn[n-]n3)C2)C1 ZINC000824919091 609389847 /nfs/dbraw/zinc/38/98/47/609389847.db2.gz RRDNEIHCDDQSSD-OQPBUACISA-N -1 1 324.841 2.993 20 0 DFADMM CCc1cnccc1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000825740190 609433543 /nfs/dbraw/zinc/43/35/43/609433543.db2.gz QMGBAJCMTSXQTC-UHFFFAOYSA-N -1 1 321.797 2.546 20 0 DFADMM CCc1cnccc1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000825740190 609433544 /nfs/dbraw/zinc/43/35/44/609433544.db2.gz QMGBAJCMTSXQTC-UHFFFAOYSA-N -1 1 321.797 2.546 20 0 DFADMM C[C@H]1CN(c2c3ccccc3nnc2-c2nnn[n-]2)CC(C)(C)C1 ZINC000824993811 609592296 /nfs/dbraw/zinc/59/22/96/609592296.db2.gz SGLYEXLQQNEJOH-LLVKDONJSA-N -1 1 323.404 2.682 20 0 DFADMM C[C@H]1CN(c2c3ccccc3nnc2-c2nn[n-]n2)CC(C)(C)C1 ZINC000824993811 609592298 /nfs/dbraw/zinc/59/22/98/609592298.db2.gz SGLYEXLQQNEJOH-LLVKDONJSA-N -1 1 323.404 2.682 20 0 DFADMM O=C(Nc1nc(C2CCOCC2)cs1)c1ccc(O)cc1[O-] ZINC000286535930 219041296 /nfs/dbraw/zinc/04/12/96/219041296.db2.gz YVDMPOACLONHMC-UHFFFAOYSA-N -1 1 320.370 2.701 20 0 DFADMM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1ccc2scnc2c1 ZINC000076936825 185058084 /nfs/dbraw/zinc/05/80/84/185058084.db2.gz LWCZDFUWBACATQ-NSHDSACASA-N -1 1 312.416 2.607 20 0 DFADMM CN(Cc1noc(C2CC2)n1)C(=O)c1cc(Cl)ccc1[O-] ZINC000412945453 295663316 /nfs/dbraw/zinc/66/33/16/295663316.db2.gz HHMKYDWLLYMMJX-UHFFFAOYSA-N -1 1 307.737 2.578 20 0 DFADMM Cn1cnnc1-c1cccc(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000081938551 192342184 /nfs/dbraw/zinc/34/21/84/192342184.db2.gz ZNMJQOWICPJGQK-UHFFFAOYSA-N -1 1 312.304 2.579 20 0 DFADMM CCOC(=O)[C@@H](Sc1ncc(C(=O)OC)[n-]1)c1ccccc1 ZINC000278632451 214290528 /nfs/dbraw/zinc/29/05/28/214290528.db2.gz KRLRSZBTYZWTJI-LBPRGKRZSA-N -1 1 320.370 2.593 20 0 DFADMM CCOC(=O)[C@@H](Sc1nc(C(=O)OC)c[n-]1)c1ccccc1 ZINC000278632451 214290530 /nfs/dbraw/zinc/29/05/30/214290530.db2.gz KRLRSZBTYZWTJI-LBPRGKRZSA-N -1 1 320.370 2.593 20 0 DFADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1COc2ccccc2O1 ZINC000082192680 185174294 /nfs/dbraw/zinc/17/42/94/185174294.db2.gz OYKRZTFMCLTVEV-CQSZACIVSA-N -1 1 305.717 2.824 20 0 DFADMM Cc1ccc(NC(=O)CN2CCCC[C@H]2CCC(=O)[O-])cc1F ZINC000321460039 231203715 /nfs/dbraw/zinc/20/37/15/231203715.db2.gz OXPIIDRRTCILFY-AWEZNQCLSA-N -1 1 322.380 2.792 20 0 DFADMM CC[C@H](N=c1nc(C(F)(F)F)[n-]s1)C(=O)OC(C)(C)C ZINC000591992398 398369693 /nfs/dbraw/zinc/36/96/93/398369693.db2.gz LKEFTUINWRYMAF-LURJTMIESA-N -1 1 311.329 2.511 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000081837167 398373923 /nfs/dbraw/zinc/37/39/23/398373923.db2.gz AMRUXULQLIDIGF-NWDGAFQWSA-N -1 1 321.446 2.911 20 0 DFADMM CC(C)(C)c1ccc([C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)cc1 ZINC000092617542 185329516 /nfs/dbraw/zinc/32/95/16/185329516.db2.gz MTEYOLIZNKAEPS-CQSZACIVSA-N -1 1 300.406 2.733 20 0 DFADMM COCC[C@@H]([NH2+]Cc1cc(=O)[nH]c(C2CC2)n1)c1ccco1 ZINC000459395789 299094909 /nfs/dbraw/zinc/09/49/09/299094909.db2.gz BOJRGBPRLVPMJY-CYBMUJFWSA-N -1 1 303.362 2.520 20 0 DFADMM COc1ccc(OCCNC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000021961242 398414762 /nfs/dbraw/zinc/41/47/62/398414762.db2.gz KLIGCHYFERQNAT-UHFFFAOYSA-N -1 1 321.760 2.863 20 0 DFADMM CC(C)n1c(CCNC(=O)C=C(C2CC2)C2CC2)n[n-]c1=S ZINC000067074317 398415759 /nfs/dbraw/zinc/41/57/59/398415759.db2.gz JOOSWSJJNHYXSF-UHFFFAOYSA-N -1 1 320.462 2.927 20 0 DFADMM CC(C)n1c(CCNC(=O)C=Cc2ccsc2)n[n-]c1=S ZINC000067073181 398416004 /nfs/dbraw/zinc/41/60/04/398416004.db2.gz QBHUGTGHQZQSDE-ONEGZZNKSA-N -1 1 322.459 2.955 20 0 DFADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1nccn1Cc1ccccc1 ZINC000584838998 398420039 /nfs/dbraw/zinc/42/00/39/398420039.db2.gz PXTSHDZXGPJHAT-GDBMZVCRSA-N -1 1 313.401 2.617 20 0 DFADMM O=S(=O)([N-]c1cccc(F)c1F)c1c[nH]c2ncccc12 ZINC000067124756 398417860 /nfs/dbraw/zinc/41/78/60/398417860.db2.gz ITOOKMHBYNJMDM-UHFFFAOYSA-N -1 1 309.297 2.642 20 0 DFADMM CC(C)(C)OC(=O)C1(CN=c2nc(C3CC3)[n-]s2)CCC1 ZINC000596559551 398447946 /nfs/dbraw/zinc/44/79/46/398447946.db2.gz NPKVWGXDBXOGMA-UHFFFAOYSA-N -1 1 309.435 2.761 20 0 DFADMM CCOC(=O)c1cnc(NC(=O)[C@H]2CCCC[C@H]2C2CC2)[n-]1 ZINC000592630155 398457993 /nfs/dbraw/zinc/45/79/93/398457993.db2.gz GSNAHKGRHHURSL-RYUDHWBXSA-N -1 1 305.378 2.741 20 0 DFADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H]2CCCC[C@H]2C2CC2)n1 ZINC000592630155 398457995 /nfs/dbraw/zinc/45/79/95/398457995.db2.gz GSNAHKGRHHURSL-RYUDHWBXSA-N -1 1 305.378 2.741 20 0 DFADMM CCOCCN(CC)C(=O)c1cc(Br)ccc1[O-] ZINC000107494166 185482061 /nfs/dbraw/zinc/48/20/61/185482061.db2.gz HKCRLFISYHZHKG-UHFFFAOYSA-N -1 1 316.195 2.653 20 0 DFADMM CCc1oc(CN2CCC(CCC(=O)[O-])CC2)cc1C(=O)OC ZINC000596656945 398473085 /nfs/dbraw/zinc/47/30/85/398473085.db2.gz PHZSBQGZPJHFHF-UHFFFAOYSA-N -1 1 323.389 2.705 20 0 DFADMM CCC(CC)[N-]S(=O)(=O)c1sccc1Br ZINC000048443422 282383907 /nfs/dbraw/zinc/38/39/07/282383907.db2.gz QNZZSUGNNOCZST-UHFFFAOYSA-N -1 1 312.254 2.978 20 0 DFADMM CCCCOCCNC(=O)c1cc(Br)ccc1[O-] ZINC000049403020 282390043 /nfs/dbraw/zinc/39/00/43/282390043.db2.gz MEDCIXIQUYHWSS-UHFFFAOYSA-N -1 1 316.195 2.701 20 0 DFADMM O=C(NCc1ccccc1CO)c1cc2ccccc2cc1[O-] ZINC000050003817 282392215 /nfs/dbraw/zinc/39/22/15/282392215.db2.gz RDICMBAGRIDTIU-UHFFFAOYSA-N -1 1 307.349 2.968 20 0 DFADMM CCN(CC)C(=O)CCCc1nc(-c2ccc([O-])cc2F)no1 ZINC000277886300 213836452 /nfs/dbraw/zinc/83/64/52/213836452.db2.gz CQRYYQGDDJCLBT-UHFFFAOYSA-N -1 1 321.352 2.772 20 0 DFADMM CNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000029323605 398483834 /nfs/dbraw/zinc/48/38/34/398483834.db2.gz VJQLXTJJMWUZTN-UHFFFAOYSA-N -1 1 319.386 2.547 20 0 DFADMM C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1cccc([O-])c1Br ZINC000459523598 299125046 /nfs/dbraw/zinc/12/50/46/299125046.db2.gz IPQFKEOVNMVVEB-QWRGUYRKSA-N -1 1 313.239 2.679 20 0 DFADMM CC(C)[C@@H](Cc1ccccc1)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000279608799 215001896 /nfs/dbraw/zinc/00/18/96/215001896.db2.gz GXTHMLARRMCZCS-XQEBGNCTSA-N -1 1 322.412 2.795 20 0 DFADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)c2occc2C)CC1 ZINC000068452903 398504773 /nfs/dbraw/zinc/50/47/73/398504773.db2.gz NPSWXZDNWKLFSJ-UHFFFAOYSA-N -1 1 320.418 2.882 20 0 DFADMM CCOC(=O)c1sc(NC(=O)c2ccc(O)cc2[O-])cc1C ZINC000314455484 398519269 /nfs/dbraw/zinc/51/92/69/398519269.db2.gz IYWVTWCHRLXHKL-UHFFFAOYSA-N -1 1 321.354 2.897 20 0 DFADMM Cc1c(NC(=O)c2ccccc2[O-])cccc1N1CCOC1=O ZINC000075545933 282553742 /nfs/dbraw/zinc/55/37/42/282553742.db2.gz NRISDKUJVXZOHB-UHFFFAOYSA-N -1 1 312.325 2.910 20 0 DFADMM O=C([O-])[C@H]1Cc2ccccc2CN1Cc1cc(F)cc(F)c1 ZINC000318740266 398539459 /nfs/dbraw/zinc/53/94/59/398539459.db2.gz WEYNCIZEHODIHA-MRXNPFEDSA-N -1 1 303.308 2.976 20 0 DFADMM Cc1ccc(C)c(NS(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000070156356 190864604 /nfs/dbraw/zinc/86/46/04/190864604.db2.gz SUMONHFWMHBERA-UHFFFAOYSA-N -1 1 311.384 2.864 20 0 DFADMM CCC[C@@H](C)S(=O)(=O)[N-]c1scc(C(=O)OC)c1C ZINC000593209523 398572589 /nfs/dbraw/zinc/57/25/89/398572589.db2.gz AGTFAIHCQZWDEU-MRVPVSSYSA-N -1 1 305.421 2.773 20 0 DFADMM CCCNC(=O)c1cccc(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000080002959 282616197 /nfs/dbraw/zinc/61/61/97/282616197.db2.gz QTZPGSBOTAUUTD-UHFFFAOYSA-N -1 1 316.332 2.923 20 0 DFADMM Cc1nnc2n1CCC[C@H]2NC(=O)c1ccc2ccccc2c1[O-] ZINC000092423383 398574835 /nfs/dbraw/zinc/57/48/35/398574835.db2.gz WQTBIVBGCLXHKN-OAHLLOKOSA-N -1 1 322.368 2.710 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCCc1ccccc1 ZINC000080469891 192159925 /nfs/dbraw/zinc/15/99/25/192159925.db2.gz FWNXDDZQCXVLDR-UHFFFAOYSA-N -1 1 317.414 2.575 20 0 DFADMM CCc1ccc(CNC(=O)c2c(C)[n-]c(=O)nc2SC)s1 ZINC000080551880 192166939 /nfs/dbraw/zinc/16/69/39/192166939.db2.gz UIGPTXMWGBLMLW-UHFFFAOYSA-N -1 1 323.443 2.766 20 0 DFADMM CCc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)c1 ZINC000080940239 282627101 /nfs/dbraw/zinc/62/71/01/282627101.db2.gz LOMFALVDBOBUDC-UHFFFAOYSA-N -1 1 316.382 2.544 20 0 DFADMM CCC(CC)(C(=O)N(C)C[C@@H](C)c1nn[n-]n1)c1ccccc1 ZINC000183453839 199598037 /nfs/dbraw/zinc/59/80/37/199598037.db2.gz HRIMEYJROHXSRY-CYBMUJFWSA-N -1 1 315.421 2.520 20 0 DFADMM CC(=O)N1CCc2cc(NC(=O)c3cc(F)ccc3[O-])ccc21 ZINC000081933845 282641689 /nfs/dbraw/zinc/64/16/89/282641689.db2.gz LVHGJAFHMHEVMK-UHFFFAOYSA-N -1 1 314.316 2.693 20 0 DFADMM CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000414413162 295798463 /nfs/dbraw/zinc/79/84/63/295798463.db2.gz LSYDKAXVCPRAMT-GXTWGEPZSA-N -1 1 313.401 2.868 20 0 DFADMM COC(=O)c1cc(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])c(C)s1 ZINC000593291864 398590658 /nfs/dbraw/zinc/59/06/58/398590658.db2.gz VGIJVUMXICVBCD-GFCCVEGCSA-N -1 1 311.403 2.672 20 0 DFADMM Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)c2ncccc2[O-])cc1 ZINC000331384115 233251881 /nfs/dbraw/zinc/25/18/81/233251881.db2.gz KHJZYHKUIHAMGX-PBHICJAKSA-N -1 1 312.369 2.746 20 0 DFADMM CC(C)OC(=O)[C@H](C)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000152475668 186077723 /nfs/dbraw/zinc/07/77/23/186077723.db2.gz MDDMRTCQVJDTKD-LBPRGKRZSA-N -1 1 315.369 2.958 20 0 DFADMM COc1cccc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])n1 ZINC000277235047 213385297 /nfs/dbraw/zinc/38/52/97/213385297.db2.gz ISVKYAOOJRKLGC-WBMJQRKESA-N -1 1 300.358 2.642 20 0 DFADMM CC(C)c1cc(C(=O)[N-]c2n[nH]c(-c3ccccc3F)n2)on1 ZINC000073110438 398663112 /nfs/dbraw/zinc/66/31/12/398663112.db2.gz HYYAGQFOSOZKAU-UHFFFAOYSA-N -1 1 315.308 2.975 20 0 DFADMM O=S(=O)(C[C@@H]1CCCO1)[N-]c1cc(Cl)ccc1Cl ZINC000172364714 198086248 /nfs/dbraw/zinc/08/62/48/198086248.db2.gz XYJSDURFEIUIQA-VIFPVBQESA-N -1 1 310.202 2.914 20 0 DFADMM C[C@H]1COCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000278442341 290969245 /nfs/dbraw/zinc/96/92/45/290969245.db2.gz HRWNOPKFABTOBY-KWQFWETISA-N -1 1 303.280 2.566 20 0 DFADMM O=C(N[C@H]1CCN(c2ccccc2)C1)c1c([O-])cccc1F ZINC000123487172 282849699 /nfs/dbraw/zinc/84/96/99/282849699.db2.gz CRBZLASMKYJUCS-LBPRGKRZSA-N -1 1 300.333 2.540 20 0 DFADMM C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1C(=O)c1ccc([O-])cc1F ZINC000593769835 398683566 /nfs/dbraw/zinc/68/35/66/398683566.db2.gz KPACTORIBNIFKW-QMTHXVAHSA-N -1 1 323.364 2.866 20 0 DFADMM C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1C(=O)c1cc(F)ccc1[O-] ZINC000593772135 398683654 /nfs/dbraw/zinc/68/36/54/398683654.db2.gz USCZSFPCARYQAY-ZWNOBZJWSA-N -1 1 323.364 2.866 20 0 DFADMM C[C@@H]1CN(C(=O)c2cncc([O-])c2)C[C@H](c2ccc(F)cc2)O1 ZINC000173523733 198224014 /nfs/dbraw/zinc/22/40/14/198224014.db2.gz SAUDFHNMJDHGRX-BDJLRTHQSA-N -1 1 316.332 2.529 20 0 DFADMM CCOC[C@H]1CCCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000072977248 191264142 /nfs/dbraw/zinc/26/41/42/191264142.db2.gz WJFNGVCKFDEIOY-NSHDSACASA-N -1 1 307.419 2.645 20 0 DFADMM CCC(CC)n1ccc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)n1 ZINC000405513239 398695227 /nfs/dbraw/zinc/69/52/27/398695227.db2.gz ZFJLPVBUJDGSRP-HNNXBMFYSA-N -1 1 305.422 2.931 20 0 DFADMM CCC[C@@H](NC(=O)c1cc(C)c(C)cc1Cl)c1nn[n-]n1 ZINC000182130453 199390937 /nfs/dbraw/zinc/39/09/37/199390937.db2.gz PYGRIRJHOKHCES-GFCCVEGCSA-N -1 1 307.785 2.741 20 0 DFADMM CCO[C@H]1C[C@H](N(C)C(=O)c2ncc(C)cc2[O-])C12CCC2 ZINC000681739530 545711351 /nfs/dbraw/zinc/71/13/51/545711351.db2.gz 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COc1cc(C(=O)NC[C@H](CC(C)C)OC)cc(Cl)c1[O-] ZINC000416263184 295936209 /nfs/dbraw/zinc/93/62/09/295936209.db2.gz QMFOKPYKYADOFD-NSHDSACASA-N -1 1 315.797 2.845 20 0 DFADMM CCC[C@H](NC(=O)c1cc2cc(C)c(C)cc2o1)c1nn[n-]n1 ZINC000136648299 283242458 /nfs/dbraw/zinc/24/24/58/283242458.db2.gz FKCNXZAKFNWSEV-LBPRGKRZSA-N -1 1 313.361 2.834 20 0 DFADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@@H]1Cn1cccn1 ZINC000591893646 398804146 /nfs/dbraw/zinc/80/41/46/398804146.db2.gz XRYPDMUVDYRIAZ-GFCCVEGCSA-N -1 1 305.765 2.547 20 0 DFADMM C[C@@]1([N-]S(=O)(=O)c2cc(F)c(F)cc2F)CC=CCC1 ZINC000416563576 295955039 /nfs/dbraw/zinc/95/50/39/295955039.db2.gz ZINXIZLUFIGIDM-CYBMUJFWSA-N -1 1 305.321 2.881 20 0 DFADMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)CS1 ZINC000416577203 295955931 /nfs/dbraw/zinc/95/59/31/295955931.db2.gz AVJKPNSTQWNFLI-HTQZYQBOSA-N -1 1 309.815 2.651 20 0 DFADMM CC(C)(C)OC(=O)C1(CNC(=O)c2ccc([O-])c(F)c2)CCC1 ZINC000598500434 398824641 /nfs/dbraw/zinc/82/46/41/398824641.db2.gz 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/nfs/dbraw/zinc/04/35/43/200043543.db2.gz AGHGYSSDAJWNLN-UHFFFAOYSA-N -1 1 315.797 2.727 20 0 DFADMM COc1ccc(-c2nc([C@H](C)C(=O)OC(C)(C)C)no2)c([O-])c1 ZINC000281004862 216016154 /nfs/dbraw/zinc/01/61/54/216016154.db2.gz YBLXJJMRSMBCCU-VIFPVBQESA-N -1 1 320.345 2.896 20 0 DFADMM O=C(NC1(c2nccs2)CCCC1)C(=O)c1ccc([O-])cc1 ZINC000281040239 216038619 /nfs/dbraw/zinc/03/86/19/216038619.db2.gz WGRFQANCHHYELJ-UHFFFAOYSA-N -1 1 316.382 2.617 20 0 DFADMM COC(=O)[C@@]1(C)CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000187710012 200147986 /nfs/dbraw/zinc/14/79/86/200147986.db2.gz ZGXQXEHLUJJSPK-GOSISDBHSA-N -1 1 313.353 2.713 20 0 DFADMM CCOC(=O)C[C@@H](C)N=c1nc(-c2ccccc2C)[n-]s1 ZINC000599058197 398914304 /nfs/dbraw/zinc/91/43/04/398914304.db2.gz SMNFOGVWAJIZKG-LLVKDONJSA-N -1 1 305.403 2.689 20 0 DFADMM CCOC(=O)[C@H](C)[C@H](C)N=c1nc(-c2ccccc2C)[n-]s1 ZINC000599064895 398915922 /nfs/dbraw/zinc/91/59/22/398915922.db2.gz GMQQMISOUOSRKR-NEPJUHHUSA-N -1 1 319.430 2.935 20 0 DFADMM C[C@@H]1CCC[C@H](C)N1C(=O)CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000188130758 200198812 /nfs/dbraw/zinc/19/88/12/200198812.db2.gz DBNLODCUNABHEU-PHIMTYICSA-N -1 1 321.446 2.941 20 0 DFADMM Cc1cc(=O)[nH]c([C@@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)n1 ZINC000188135868 200199303 /nfs/dbraw/zinc/19/93/03/200199303.db2.gz ABELCHBYPPJCJX-MRVPVSSYSA-N -1 1 304.375 2.717 20 0 DFADMM Cc1noc([C@@H](C)Sc2nc(C(F)(F)F)cc(=O)[n-]2)n1 ZINC000599122058 398924337 /nfs/dbraw/zinc/92/43/37/398924337.db2.gz GURPXRKUIZIVCP-SCSAIBSYSA-N -1 1 306.269 2.746 20 0 DFADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(C(N)=O)c1 ZINC000055569269 398935729 /nfs/dbraw/zinc/93/57/29/398935729.db2.gz HVLGBDSTRGBEKO-UHFFFAOYSA-N -1 1 324.789 2.548 20 0 DFADMM CO[C@H](c1ccccc1F)[C@H](C)[N-]C(=O)C(F)(F)C(F)F ZINC000271981565 209356900 /nfs/dbraw/zinc/35/69/00/209356900.db2.gz DRJXIDPEUSDFKR-XVKPBYJWSA-N -1 1 311.250 2.918 20 0 DFADMM COC(=O)[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000600135877 398962924 /nfs/dbraw/zinc/96/29/24/398962924.db2.gz OLDIYYRTZHRTPB-GHMZBOCLSA-N -1 1 319.744 2.946 20 0 DFADMM CC(C)(C)c1ncc(CN[C@H](C(=O)[O-])c2ccsc2)cn1 ZINC000417564287 296031417 /nfs/dbraw/zinc/03/14/17/296031417.db2.gz OQDKCLOGYZJZKW-LBPRGKRZSA-N -1 1 305.403 2.751 20 0 DFADMM Cc1nn(C(C)C)cc1CN[C@@H](C(=O)[O-])c1cccc(F)c1 ZINC000417552996 296030660 /nfs/dbraw/zinc/03/06/60/296030660.db2.gz GBDCRFVFMOPWCA-OAHLLOKOSA-N -1 1 305.353 2.827 20 0 DFADMM O=C(c1ccc([O-])cc1F)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000292697713 223207059 /nfs/dbraw/zinc/20/70/59/223207059.db2.gz XGVJFXAIBVTPKY-CABCVRRESA-N -1 1 305.349 2.705 20 0 DFADMM Cc1cnn(C)c1CN[C@@H](C(=O)[O-])c1ccc(Cl)c(C)c1 ZINC000417573457 296032207 /nfs/dbraw/zinc/03/22/07/296032207.db2.gz QEAPFOHHACCDNP-CQSZACIVSA-N -1 1 307.781 2.606 20 0 DFADMM CCc1cccc(Cl)c1CN[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000417596746 296033981 /nfs/dbraw/zinc/03/39/81/296033981.db2.gz QWIXUCZNVMMGAG-CQSZACIVSA-N -1 1 307.781 2.551 20 0 DFADMM COc1cccc(CN[C@H](CCC(=O)[O-])c2ccccc2)n1 ZINC000417605282 296035106 /nfs/dbraw/zinc/03/51/06/296035106.db2.gz XKOKFVHOBXLWHJ-OAHLLOKOSA-N -1 1 300.358 2.786 20 0 DFADMM CCC(CC)C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000193356752 201036786 /nfs/dbraw/zinc/03/67/86/201036786.db2.gz BBAVABLZMBKADZ-UHFFFAOYSA-N -1 1 302.371 2.572 20 0 DFADMM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1cccnc1 ZINC000193806924 201126117 /nfs/dbraw/zinc/12/61/17/201126117.db2.gz QLWLTYPGFDTUHV-MRVPVSSYSA-N -1 1 316.304 2.538 20 0 DFADMM COC(=O)C[C@H](NC(=O)c1ccc([O-])c(F)c1)c1cccs1 ZINC000613445151 398987605 /nfs/dbraw/zinc/98/76/05/398987605.db2.gz MYMPWFJZNJNNLC-NSHDSACASA-N -1 1 323.345 2.627 20 0 DFADMM CCc1cc(=O)[n-]c(S[C@@H](C)c2nc(C(C)(C)C)no2)n1 ZINC000195067208 201333690 /nfs/dbraw/zinc/33/36/90/201333690.db2.gz MWQIGOHWCPGNRS-QMMMGPOBSA-N -1 1 308.407 2.866 20 0 DFADMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)N2CCCC[C@@H]2CC)n1 ZINC000195059165 201333753 /nfs/dbraw/zinc/33/37/53/201333753.db2.gz MOKIGLJHNYRSKW-AAEUAGOBSA-N -1 1 323.462 2.604 20 0 DFADMM 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Cc1cccc2nc(-c3ccc(N4CCOC4=O)nc3)[n-]c(=O)c12 ZINC000491499107 429367570 /nfs/dbraw/zinc/36/75/70/429367570.db2.gz OXWDXOIOXQJHMF-UHFFFAOYSA-N -1 1 322.324 2.662 20 0 DFADMM O=C([O-])C[C@@H]1CCCN1Cc1nc2ccccc2n1C(F)F ZINC000517575608 429389768 /nfs/dbraw/zinc/38/97/68/429389768.db2.gz JEIZXSPUEINBPH-JTQLQIEISA-N -1 1 309.316 2.871 20 0 DFADMM COc1ccccc1C[C@@H](C)N(C)C(=O)c1ncc(C)cc1[O-] ZINC000427227975 429440392 /nfs/dbraw/zinc/44/03/92/429440392.db2.gz QFYSHYNTLHKHGQ-CYBMUJFWSA-N -1 1 314.385 2.807 20 0 DFADMM CC1(C)CCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000427248654 429441234 /nfs/dbraw/zinc/44/12/34/429441234.db2.gz HDRSJHLVFDFNIQ-JTQLQIEISA-N -1 1 307.337 2.961 20 0 DFADMM O=c1[n-]c([C@H]2CCCCN2CCSc2ccccc2)n[nH]1 ZINC000519032593 429445394 /nfs/dbraw/zinc/44/53/94/429445394.db2.gz SMLOVLKBARCFFK-CYBMUJFWSA-N -1 1 304.419 2.830 20 0 DFADMM Cc1cnc(SCC(=O)N(C)[C@@H]2CCCC[C@@H]2C)[n-]c1=O ZINC000519183266 429451112 /nfs/dbraw/zinc/45/11/12/429451112.db2.gz 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545922264 /nfs/dbraw/zinc/92/22/64/545922264.db2.gz IYMINNIDEFXAOA-UHFFFAOYSA-N -1 1 322.368 2.619 20 0 DFADMM CC[C@@]1(NC(=O)c2ccc(C(F)(F)F)cc2[O-])CCOC1 ZINC000682981424 545953629 /nfs/dbraw/zinc/95/36/29/545953629.db2.gz WTNJGARSASGJRL-CYBMUJFWSA-N -1 1 303.280 2.710 20 0 DFADMM O=C(Nc1ccc(-c2nc[nH]n2)cc1F)c1ccc([O-])cc1F ZINC000684186474 546166430 /nfs/dbraw/zinc/16/64/30/546166430.db2.gz JHMZJMXDPAMVCO-UHFFFAOYSA-N -1 1 316.267 2.708 20 0 DFADMM COc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](C)C2)c(F)c1 ZINC000684605338 546251941 /nfs/dbraw/zinc/25/19/41/546251941.db2.gz UBJLLYDSGUQVCB-NXEZZACHSA-N -1 1 319.373 2.688 20 0 DFADMM C[C@@H](O)C[C@@H](C)CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684875521 546296552 /nfs/dbraw/zinc/29/65/52/546296552.db2.gz IHQNZFZSRKWHIT-RKDXNWHRSA-N -1 1 305.296 2.548 20 0 DFADMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)CCS1 ZINC000684873051 546296568 /nfs/dbraw/zinc/29/65/68/546296568.db2.gz FDEAXKOIUDKWLC-MRVPVSSYSA-N -1 1 305.321 2.989 20 0 DFADMM O=C(c1c(F)ccc([O-])c1F)N1CCC[C@@H](OC(F)F)C1 ZINC000685463394 546354910 /nfs/dbraw/zinc/35/49/10/546354910.db2.gz RXLLRCYOVDHZGI-SSDOTTSWSA-N -1 1 307.243 2.514 20 0 DFADMM Fc1cccc(Oc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000737665722 598933775 /nfs/dbraw/zinc/93/37/75/598933775.db2.gz UYKDELGKTANZMD-UHFFFAOYSA-N -1 1 308.276 2.741 20 0 DFADMM C[C@H]1CCCC[C@@H]1Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736276573 598934233 /nfs/dbraw/zinc/93/42/33/598934233.db2.gz ZRERSJLRHGJQPD-JQWIXIFHSA-N -1 1 309.377 2.801 20 0 DFADMM C[C@H]1CCCC[C@@H]1Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736276573 598934234 /nfs/dbraw/zinc/93/42/34/598934234.db2.gz ZRERSJLRHGJQPD-JQWIXIFHSA-N -1 1 309.377 2.801 20 0 DFADMM Cc1cccc(Nc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000737400265 598954533 /nfs/dbraw/zinc/95/45/33/598954533.db2.gz ROULJIJUNBSNFV-UHFFFAOYSA-N -1 1 303.329 2.862 20 0 DFADMM Cc1cccc(Nc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000737400265 598954534 /nfs/dbraw/zinc/95/45/34/598954534.db2.gz ROULJIJUNBSNFV-UHFFFAOYSA-N -1 1 303.329 2.862 20 0 DFADMM CC[C@@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000736401593 598970692 /nfs/dbraw/zinc/97/06/92/598970692.db2.gz KBIBWSRHRZTRQL-GFCCVEGCSA-N -1 1 323.404 2.826 20 0 DFADMM CC[C@@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000736401593 598970693 /nfs/dbraw/zinc/97/06/93/598970693.db2.gz KBIBWSRHRZTRQL-GFCCVEGCSA-N -1 1 323.404 2.826 20 0 DFADMM CCC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000736431273 598983408 /nfs/dbraw/zinc/98/34/08/598983408.db2.gz DETIFSKNGSUMFI-AWEZNQCLSA-N -1 1 322.372 2.533 20 0 DFADMM CCC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000736431273 598983410 /nfs/dbraw/zinc/98/34/10/598983410.db2.gz DETIFSKNGSUMFI-AWEZNQCLSA-N -1 1 322.372 2.533 20 0 DFADMM CC(C)CCCCCCNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735798509 599020905 /nfs/dbraw/zinc/02/09/05/599020905.db2.gz XAUUINTYFORRIF-UHFFFAOYSA-N -1 1 316.409 2.598 20 0 DFADMM CC(C)CCCCCCNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735798509 599020907 /nfs/dbraw/zinc/02/09/07/599020907.db2.gz XAUUINTYFORRIF-UHFFFAOYSA-N -1 1 316.409 2.598 20 0 DFADMM CCC(CC)c1cc(CNc2cccc(-c3nnn[n-]3)n2)on1 ZINC000820897638 599045656 /nfs/dbraw/zinc/04/56/56/599045656.db2.gz KAJLPWXBIGBDLY-UHFFFAOYSA-N -1 1 313.365 2.765 20 0 DFADMM CCC(CC)c1cc(CNc2cccc(-c3nn[n-]n3)n2)on1 ZINC000820897638 599045659 /nfs/dbraw/zinc/04/56/59/599045659.db2.gz KAJLPWXBIGBDLY-UHFFFAOYSA-N -1 1 313.365 2.765 20 0 DFADMM CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)N(C)CCC(=O)[O-] ZINC000818136058 596996329 /nfs/dbraw/zinc/99/63/29/596996329.db2.gz DULPLRHLQGTIIE-CHWSQXEVSA-N -1 1 306.406 2.934 20 0 DFADMM COc1ccc(Cl)cc1-c1n[nH]c(S[C@H](C)C(=O)[O-])n1 ZINC000739907911 597050341 /nfs/dbraw/zinc/05/03/41/597050341.db2.gz TTWZSQXWUNVLHY-ZCFIWIBFSA-N -1 1 313.766 2.699 20 0 DFADMM O=C([O-])[C@H]1CCN(Cc2coc(-c3c(F)cccc3F)n2)C1 ZINC000821510690 597376266 /nfs/dbraw/zinc/37/62/66/597376266.db2.gz IYNMLFVGAWUZIX-VIFPVBQESA-N -1 1 308.284 2.526 20 0 DFADMM Cc1cc(F)cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822203250 607308286 /nfs/dbraw/zinc/30/82/86/607308286.db2.gz KWAADYPPCWRKPH-UHFFFAOYSA-N -1 1 303.322 2.628 20 0 DFADMM Cc1cc(F)cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822203250 607308287 /nfs/dbraw/zinc/30/82/87/607308287.db2.gz KWAADYPPCWRKPH-UHFFFAOYSA-N -1 1 303.322 2.628 20 0 DFADMM COc1ccc(C)cc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000821782147 607310590 /nfs/dbraw/zinc/31/05/90/607310590.db2.gz ANTZVAAJXNDMGG-UHFFFAOYSA-N -1 1 301.375 2.857 20 0 DFADMM O=C([O-])C[C@@H]1CCCN(Cn2nc(Cl)c3ccccc32)C1 ZINC000821515591 598135448 /nfs/dbraw/zinc/13/54/48/598135448.db2.gz FUIHRFUIBJMGHJ-NSHDSACASA-N -1 1 307.781 2.834 20 0 DFADMM C[C@@H](CC(=O)[O-])N[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000820072208 598214901 /nfs/dbraw/zinc/21/49/01/598214901.db2.gz OSTRJLMGNBMUFG-IINYFYTJSA-N -1 1 307.781 2.616 20 0 DFADMM Clc1cc(Cl)cc(Oc2nccnc2-c2nn[n-]n2)c1 ZINC000737566667 598337676 /nfs/dbraw/zinc/33/76/76/598337676.db2.gz WKGGMXHALGUREV-UHFFFAOYSA-N -1 1 309.116 2.756 20 0 DFADMM CC(C)c1ccc([C@@H](C)Nc2nccnc2-c2nnn[n-]2)cc1 ZINC000735924407 598340647 /nfs/dbraw/zinc/34/06/47/598340647.db2.gz SMVQHEDRFSOHIQ-LLVKDONJSA-N -1 1 309.377 2.953 20 0 DFADMM CC(C)c1ccc([C@@H](C)Nc2nccnc2-c2nn[n-]n2)cc1 ZINC000735924407 598340649 /nfs/dbraw/zinc/34/06/49/598340649.db2.gz SMVQHEDRFSOHIQ-LLVKDONJSA-N -1 1 309.377 2.953 20 0 DFADMM CCCCN(C)c1ccc(Nc2nccnc2-c2nnn[n-]2)cc1 ZINC000736453967 598426898 /nfs/dbraw/zinc/42/68/98/598426898.db2.gz VHUSUDLKMSLRLX-UHFFFAOYSA-N -1 1 324.392 2.637 20 0 DFADMM CCCCN(C)c1ccc(Nc2nccnc2-c2nn[n-]n2)cc1 ZINC000736453967 598426900 /nfs/dbraw/zinc/42/69/00/598426900.db2.gz VHUSUDLKMSLRLX-UHFFFAOYSA-N -1 1 324.392 2.637 20 0 DFADMM C[C@@H](Cc1ccco1)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736066962 598572373 /nfs/dbraw/zinc/57/23/73/598572373.db2.gz RSUPOHJCIJBLSR-QMMMGPOBSA-N -1 1 304.741 2.551 20 0 DFADMM C[C@@H](Cc1ccco1)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736066962 598572375 /nfs/dbraw/zinc/57/23/75/598572375.db2.gz RSUPOHJCIJBLSR-QMMMGPOBSA-N -1 1 304.741 2.551 20 0 DFADMM Clc1ccc(N[C@@H]2C[C@@H]2c2ccccc2)nc1-c1nn[n-]n1 ZINC000737574167 598577929 /nfs/dbraw/zinc/57/79/29/598577929.db2.gz LJPLGWYFLRFNAY-ZYHUDNBSSA-N -1 1 312.764 2.883 20 0 DFADMM Clc1ccc(N[C@@H]2C[C@@H]2c2ccccc2)nc1-c1nnn[n-]1 ZINC000737574167 598577927 /nfs/dbraw/zinc/57/79/27/598577927.db2.gz LJPLGWYFLRFNAY-ZYHUDNBSSA-N -1 1 312.764 2.883 20 0 DFADMM C/C(=C/CN(C)Cc1csc(Br)c1)C(=O)[O-] ZINC000084002731 601158177 /nfs/dbraw/zinc/15/81/77/601158177.db2.gz SVYJZRIMFMCMFP-BAQGIRSFSA-N -1 1 304.209 2.973 20 0 DFADMM CN(CCCCc1ccccc1)c1cccc(-c2nnn[n-]2)n1 ZINC000736800579 599411322 /nfs/dbraw/zinc/41/13/22/599411322.db2.gz NFXVUDIWKHDSQN-UHFFFAOYSA-N -1 1 308.389 2.721 20 0 DFADMM CN(CCCCc1ccccc1)c1cccc(-c2nn[n-]n2)n1 ZINC000736800579 599411326 /nfs/dbraw/zinc/41/13/26/599411326.db2.gz NFXVUDIWKHDSQN-UHFFFAOYSA-N -1 1 308.389 2.721 20 0 DFADMM CC(C)COc1ccccc1CNc1cccc(-c2nnn[n-]2)n1 ZINC000735843818 599416065 /nfs/dbraw/zinc/41/60/65/599416065.db2.gz AGMVSADFKDAPHI-UHFFFAOYSA-N -1 1 324.388 2.909 20 0 DFADMM CC(C)COc1ccccc1CNc1cccc(-c2nn[n-]n2)n1 ZINC000735843818 599416066 /nfs/dbraw/zinc/41/60/66/599416066.db2.gz AGMVSADFKDAPHI-UHFFFAOYSA-N -1 1 324.388 2.909 20 0 DFADMM Fc1cccc(Cl)c1CNc1cccc(-c2nnn[n-]2)n1 ZINC000737662303 599421005 /nfs/dbraw/zinc/42/10/05/599421005.db2.gz UAEDTDKQYSHUHP-UHFFFAOYSA-N -1 1 304.716 2.666 20 0 DFADMM Fc1cccc(Cl)c1CNc1cccc(-c2nn[n-]n2)n1 ZINC000737662303 599421007 /nfs/dbraw/zinc/42/10/07/599421007.db2.gz UAEDTDKQYSHUHP-UHFFFAOYSA-N -1 1 304.716 2.666 20 0 DFADMM CC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1nc(C)cs1 ZINC000736367937 599429732 /nfs/dbraw/zinc/42/97/32/599429732.db2.gz DLZJEJFYBHZQSM-SECBINFHSA-N -1 1 301.379 2.590 20 0 DFADMM CC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1nc(C)cs1 ZINC000736367937 599429734 /nfs/dbraw/zinc/42/97/34/599429734.db2.gz DLZJEJFYBHZQSM-SECBINFHSA-N -1 1 301.379 2.590 20 0 DFADMM c1cc(-c2nnn[n-]2)oc1CNc1ccccc1OCC1CC1 ZINC000823791687 599446426 /nfs/dbraw/zinc/44/64/26/599446426.db2.gz HZXAAWCITYMJQN-UHFFFAOYSA-N -1 1 311.345 2.861 20 0 DFADMM c1cc(-c2nn[n-]n2)oc1CNc1ccccc1OCC1CC1 ZINC000823791687 599446428 /nfs/dbraw/zinc/44/64/28/599446428.db2.gz HZXAAWCITYMJQN-UHFFFAOYSA-N -1 1 311.345 2.861 20 0 DFADMM CC[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1nccs1 ZINC000736368968 599530338 /nfs/dbraw/zinc/53/03/38/599530338.db2.gz JEEUFZNCNYHATP-QMMMGPOBSA-N -1 1 321.797 2.935 20 0 DFADMM CC[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1nccs1 ZINC000736368968 599530339 /nfs/dbraw/zinc/53/03/39/599530339.db2.gz JEEUFZNCNYHATP-QMMMGPOBSA-N -1 1 321.797 2.935 20 0 DFADMM CC[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccncc1 ZINC000820925075 599573685 /nfs/dbraw/zinc/57/36/85/599573685.db2.gz CXWSKYRFDDRICC-LLVKDONJSA-N -1 1 315.768 2.873 20 0 DFADMM CC[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccncc1 ZINC000820925075 599573686 /nfs/dbraw/zinc/57/36/86/599573686.db2.gz CXWSKYRFDDRICC-LLVKDONJSA-N -1 1 315.768 2.873 20 0 DFADMM CC[C@@H](C)N(C)CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000736882322 599756485 /nfs/dbraw/zinc/75/64/85/599756485.db2.gz GEVCIHSTKFYPGT-SNVBAGLBSA-N -1 1 324.446 2.994 20 0 DFADMM O=C([O-])c1sccc1NC(=O)CN1CCC[C@@H]1C1CCC1 ZINC000739284827 599874739 /nfs/dbraw/zinc/87/47/39/599874739.db2.gz VKJKQQHMILRALH-GFCCVEGCSA-N -1 1 308.403 2.649 20 0 DFADMM CN(Cc1ccc2c(c1)OCO2)Cc1ccc(F)cc1C(=O)[O-] ZINC000737488002 600083048 /nfs/dbraw/zinc/08/30/48/600083048.db2.gz WMLWTPQIVHNSHR-UHFFFAOYSA-N -1 1 317.316 2.885 20 0 DFADMM Cc1cccc(-c2nnc([C@@H](C)N3CCC[C@@H](C(=O)[O-])C3)o2)c1 ZINC000738305718 600137964 /nfs/dbraw/zinc/13/79/64/600137964.db2.gz DVIOQWDTNULCIH-TZMCWYRMSA-N -1 1 315.373 2.903 20 0 DFADMM CC(C)(C)OC(=O)C1CCN(Cc2ccoc2C(=O)[O-])CC1 ZINC000736262301 600143491 /nfs/dbraw/zinc/14/34/91/600143491.db2.gz JRYVBRFKSMRZGY-UHFFFAOYSA-N -1 1 309.362 2.532 20 0 DFADMM CCc1ccccc1NC(=O)CNC1(C(=O)[O-])CCCCC1 ZINC000737273700 600150198 /nfs/dbraw/zinc/15/01/98/600150198.db2.gz CDIZTCOTMRPKDS-UHFFFAOYSA-N -1 1 304.390 2.565 20 0 DFADMM CCC[C@@](C)(NCC(=O)N[C@@H](C)c1ccc(CC)cc1)C(=O)[O-] ZINC000736961372 600155019 /nfs/dbraw/zinc/15/50/19/600155019.db2.gz ARAMPIWETVUKEI-SCLBCKFNSA-N -1 1 320.433 2.659 20 0 DFADMM CCCCCC[C@H](C)NC(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736982851 600295315 /nfs/dbraw/zinc/29/53/15/600295315.db2.gz DEMLBGJHDCUZLF-LSDHHAIUSA-N -1 1 324.465 2.648 20 0 DFADMM O=C([O-])NCc1ccc(NC(=O)Cc2n[nH]c3ccccc23)cc1 ZINC000739988231 600308316 /nfs/dbraw/zinc/30/83/16/600308316.db2.gz LLQSWFDRKICYOV-UHFFFAOYSA-N -1 1 324.340 2.512 20 0 DFADMM CCC[C@](C)(NCC(=O)Nc1cccc(C(C)C)c1)C(=O)[O-] ZINC000314354233 600321758 /nfs/dbraw/zinc/32/17/58/600321758.db2.gz ONBZGWPWXDXBJU-KRWDZBQOSA-N -1 1 306.406 2.982 20 0 DFADMM CCC[C@](C)(NCC(=O)Nc1ccc(SC)cc1)C(=O)[O-] ZINC000736963671 600322573 /nfs/dbraw/zinc/32/25/73/600322573.db2.gz KPPRXDLJLJGSFZ-HNNXBMFYSA-N -1 1 310.419 2.580 20 0 DFADMM CC[C@@H](C)[C@@H](NC(=O)CN1CCCC2(CCCCC2)C1)C(=O)[O-] ZINC000736879842 600337824 /nfs/dbraw/zinc/33/78/24/600337824.db2.gz RSFIXBUXODGYHF-GDBMZVCRSA-N -1 1 324.465 2.648 20 0 DFADMM C[C@H](CN(C)CC(=O)Nc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000042707380 600364164 /nfs/dbraw/zinc/36/41/64/600364164.db2.gz QVIBLXBULYTFJW-MRVPVSSYSA-N -1 1 319.188 2.584 20 0 DFADMM CCCCCCN(C)CC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000736983205 600365728 /nfs/dbraw/zinc/36/57/28/600365728.db2.gz KGCIBSXVRKYSKJ-OAHLLOKOSA-N -1 1 318.417 2.714 20 0 DFADMM Cc1[nH]c2ccccc2c1C(=O)CN(CCC(=O)[O-])C(C)C ZINC000738246452 600395270 /nfs/dbraw/zinc/39/52/70/600395270.db2.gz HMSRUIZTFRBYJN-UHFFFAOYSA-N -1 1 302.374 2.844 20 0 DFADMM CC(C)Oc1ncccc1CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000318225225 600424170 /nfs/dbraw/zinc/42/41/70/600424170.db2.gz GPOGSYGQDDNRLK-OAHLLOKOSA-N -1 1 300.358 2.784 20 0 DFADMM CCc1cccc(CC)c1NC(=O)CN[C@@](C)(CC)C(=O)[O-] ZINC000737267676 600560428 /nfs/dbraw/zinc/56/04/28/600560428.db2.gz UAPNJJIXWJJPPM-KRWDZBQOSA-N -1 1 306.406 2.593 20 0 DFADMM CC(C)[C@H](C(=O)OCc1cccc(C(=O)[O-])c1)N1CCCCC1 ZINC000736350255 600735660 /nfs/dbraw/zinc/73/56/60/600735660.db2.gz VRBUEKNZHBJZJC-MRXNPFEDSA-N -1 1 319.401 2.939 20 0 DFADMM Cc1ncc2c(n1)CCC[C@@H]2N[C@@H](C(=O)[O-])c1ccccc1F ZINC000833009122 600751929 /nfs/dbraw/zinc/75/19/29/600751929.db2.gz CDUFNVJJFQSYRE-JKSUJKDBSA-N -1 1 315.348 2.717 20 0 DFADMM C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000828214340 600835887 /nfs/dbraw/zinc/83/58/87/600835887.db2.gz KXKGAXRJUNKSKI-AOOOYVTPSA-N -1 1 310.781 2.850 20 0 DFADMM CC[C@@H](C)[C@H](NC(=O)CN1CCC(C2CCCC2)CC1)C(=O)[O-] ZINC000828714458 600841237 /nfs/dbraw/zinc/84/12/37/600841237.db2.gz APEDCRLWNUPVKX-DYVFJYSZSA-N -1 1 324.465 2.504 20 0 DFADMM CCCC[C@@H](C(=O)[O-])[NH+]1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000829276809 600984876 /nfs/dbraw/zinc/98/48/76/600984876.db2.gz NAQYGCLHVCZCFX-INIZCTEOSA-N -1 1 319.401 2.930 20 0 DFADMM O=C([O-])c1ccccc1NC(=O)CN1CCC[C@H]2CCC[C@@H]21 ZINC000833106832 601019818 /nfs/dbraw/zinc/01/98/18/601019818.db2.gz XBDDDHQECNSEGK-DOMZBBRYSA-N -1 1 302.374 2.588 20 0 DFADMM O=C([O-])c1ccccc1NC(=O)CN1CCC[C@@H]2CCC[C@@H]21 ZINC000833106835 601019943 /nfs/dbraw/zinc/01/99/43/601019943.db2.gz XBDDDHQECNSEGK-WFASDCNBSA-N -1 1 302.374 2.588 20 0 DFADMM CCCN(C/C=C(/C)C(=O)[O-])[C@@H](C)C(=O)Nc1ccccc1 ZINC000829486358 601054364 /nfs/dbraw/zinc/05/43/64/601054364.db2.gz DKKXVMVDMNKUTR-ZVHGMHCTSA-N -1 1 304.390 2.757 20 0 DFADMM C[C@H](CN(Cc1ccccc1)Cn1cccnc1=S)C(=O)[O-] ZINC000736583263 601089042 /nfs/dbraw/zinc/08/90/42/601089042.db2.gz MHILKESGSLVAIB-CYBMUJFWSA-N -1 1 317.414 2.793 20 0 DFADMM CCCCC[C@H](C)CC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000829305166 601102574 /nfs/dbraw/zinc/10/25/74/601102574.db2.gz UBNHHNUJEDSLAG-LSDHHAIUSA-N -1 1 312.454 2.600 20 0 DFADMM C[C@H](CN(C)C(=O)c1cc(Cl)c2ccccc2c1O)C(=O)[O-] ZINC000827437194 601387633 /nfs/dbraw/zinc/38/76/33/601387633.db2.gz UYMZYINDKKFOJZ-SECBINFHSA-N -1 1 321.760 2.992 20 0 DFADMM Cc1cc(CSc2nc(-c3ccccn3)n[nH]2)oc1C(=O)[O-] ZINC000832885744 601408514 /nfs/dbraw/zinc/40/85/14/601408514.db2.gz YGZMDAMMRPZWPN-UHFFFAOYSA-N -1 1 316.342 2.759 20 0 DFADMM CCc1oc(C(=O)[O-])cc1CN[C@](C)(CO)c1ccccc1 ZINC000830376519 601418381 /nfs/dbraw/zinc/41/83/81/601418381.db2.gz XALWIEJOIKRNDH-QGZVFWFLSA-N -1 1 303.358 2.538 20 0 DFADMM O=C([O-])[C@]1(F)CCN(CCOc2ccc3ccccc3c2)C1 ZINC000833174290 601441285 /nfs/dbraw/zinc/44/12/85/601441285.db2.gz DHWBYXYQEKCTPJ-KRWDZBQOSA-N -1 1 303.333 2.717 20 0 DFADMM CCC1CCC(NCC(=O)N2C[C@H](C)C[C@H](C)C2)(C(=O)[O-])CC1 ZINC000829101474 601493936 /nfs/dbraw/zinc/49/39/36/601493936.db2.gz PKTQFQLGWRCKBH-FLOBVVSRSA-N -1 1 324.465 2.504 20 0 DFADMM CCC1CCC(NCC(=O)N2CCCC[C@H]2CC)(C(=O)[O-])CC1 ZINC000829101848 601495764 /nfs/dbraw/zinc/49/57/64/601495764.db2.gz YKRRTNBRKOTNCG-SWKXRBFHSA-N -1 1 324.465 2.791 20 0 DFADMM CCC1CCC(NCC(=O)N2[C@@H](C)CCC[C@@H]2C)(C(=O)[O-])CC1 ZINC000829101493 601495812 /nfs/dbraw/zinc/49/58/12/601495812.db2.gz PYKJETRCMJXJDM-KZGGZSBBSA-N -1 1 324.465 2.789 20 0 DFADMM C[C@H]1CN(Cc2nnc(-c3ccc(Cl)cc3)o2)C[C@H]1C(=O)[O-] 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DKBRZAGCSITKEJ-JTQLQIEISA-N -1 1 318.295 2.517 20 0 DFADMM O=C([O-])N1CCC[C@@H](NCc2coc(-c3cccs3)n2)C1 ZINC000834108163 605590804 /nfs/dbraw/zinc/59/08/04/605590804.db2.gz SCRCLEKDGRPKCP-SNVBAGLBSA-N -1 1 307.375 2.635 20 0 DFADMM CC(C)CN1Cc2cccc(NC(=O)C(C)(C)NC(=O)[O-])c2C1 ZINC000833489218 605639632 /nfs/dbraw/zinc/63/96/32/605639632.db2.gz YECSRFHGUIUVGB-UHFFFAOYSA-N -1 1 319.405 2.643 20 0 DFADMM Cc1cncc(CN[C@H](C)c2ccc(CNC(=O)[O-])nc2C)c1 ZINC000833912933 605648419 /nfs/dbraw/zinc/64/84/19/605648419.db2.gz VULDUNHXVJGIDX-GFCCVEGCSA-N -1 1 314.389 2.712 20 0 DFADMM C[C@H]1C[C@H](CNC(=O)[O-])CN1Cc1ccc(F)c(Cl)c1 ZINC000833834773 605683592 /nfs/dbraw/zinc/68/35/92/605683592.db2.gz REQNYVGMRUHSHP-GXSJLCMTSA-N -1 1 300.761 2.957 20 0 DFADMM O=C([O-])N[C@H]1C[C@@H](N[C@@H]2c3ccccc3C[C@@H]2O)c2ccccc21 ZINC000834159080 605795332 /nfs/dbraw/zinc/79/53/32/605795332.db2.gz RESHXHBVDCXOBU-VSZNYVQBSA-N -1 1 324.380 2.688 20 0 DFADMM C[C@@H]1CC[C@H](OC(=O)c2ccc(-c3nnn[n-]3)s2)[C@H](C)C1 ZINC000820689697 606178196 /nfs/dbraw/zinc/17/81/96/606178196.db2.gz BKGBDCFHQWGFDF-BBBLOLIVSA-N -1 1 306.391 2.910 20 0 DFADMM C[C@@H]1CC[C@H](OC(=O)c2ccc(-c3nn[n-]n3)s2)[C@H](C)C1 ZINC000820689697 606178197 /nfs/dbraw/zinc/17/81/97/606178197.db2.gz BKGBDCFHQWGFDF-BBBLOLIVSA-N -1 1 306.391 2.910 20 0 DFADMM C[C@H](CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccccc1 ZINC000820226727 606193842 /nfs/dbraw/zinc/19/38/42/606193842.db2.gz XBBGRXYAAKYKSX-LLVKDONJSA-N -1 1 323.356 2.705 20 0 DFADMM CCc1ccc(C(C)(C)CNc2nccnc2-c2nnn[n-]2)cc1 ZINC000821476141 606200211 /nfs/dbraw/zinc/20/02/11/606200211.db2.gz JOLQWNNYOQHLGB-UHFFFAOYSA-N -1 1 323.404 2.609 20 0 DFADMM CCc1ccc(C(C)(C)CNc2nccnc2-c2nn[n-]n2)cc1 ZINC000821476141 606200213 /nfs/dbraw/zinc/20/02/13/606200213.db2.gz JOLQWNNYOQHLGB-UHFFFAOYSA-N -1 1 323.404 2.609 20 0 DFADMM c1cc(-c2nnn[n-]2)nc(N2CCSC3(CCCCC3)C2)c1 ZINC000823742489 606200906 /nfs/dbraw/zinc/20/09/06/606200906.db2.gz HJGJCOFMVVCALJ-UHFFFAOYSA-N -1 1 316.434 2.518 20 0 DFADMM c1cc(-c2nn[n-]n2)nc(N2CCSC3(CCCCC3)C2)c1 ZINC000823742489 606200908 /nfs/dbraw/zinc/20/09/08/606200908.db2.gz HJGJCOFMVVCALJ-UHFFFAOYSA-N -1 1 316.434 2.518 20 0 DFADMM C[C@H]1[C@H](c2ccccc2)CCN1c1cccc(-c2nnn[n-]2)n1 ZINC000820642753 606232110 /nfs/dbraw/zinc/23/21/10/606232110.db2.gz LHNURWQKCIOMCJ-GXTWGEPZSA-N -1 1 306.373 2.644 20 0 DFADMM C[C@H]1[C@H](c2ccccc2)CCN1c1cccc(-c2nn[n-]n2)n1 ZINC000820642753 606232111 /nfs/dbraw/zinc/23/21/11/606232111.db2.gz LHNURWQKCIOMCJ-GXTWGEPZSA-N -1 1 306.373 2.644 20 0 DFADMM Fc1ccc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)c(F)c1 ZINC000822783101 606440572 /nfs/dbraw/zinc/44/05/72/606440572.db2.gz VEJCRRCZKRKSTL-UHFFFAOYSA-N -1 1 309.663 2.986 20 0 DFADMM Fc1ccc(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)c(F)c1 ZINC000822783101 606440574 /nfs/dbraw/zinc/44/05/74/606440574.db2.gz VEJCRRCZKRKSTL-UHFFFAOYSA-N -1 1 309.663 2.986 20 0 DFADMM Cc1ccc([C@@H](C)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)o1 ZINC000822228783 606441794 /nfs/dbraw/zinc/44/17/94/606441794.db2.gz FPTVEFHKTKRVSI-MRVPVSSYSA-N -1 1 304.741 2.990 20 0 DFADMM Cc1ccc([C@@H](C)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)o1 ZINC000822228783 606441796 /nfs/dbraw/zinc/44/17/96/606441796.db2.gz FPTVEFHKTKRVSI-MRVPVSSYSA-N -1 1 304.741 2.990 20 0 DFADMM C[C@@H](c1cccnc1)N(C)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820570143 606462118 /nfs/dbraw/zinc/46/21/18/606462118.db2.gz DUYYMXNMPYBASH-VIFPVBQESA-N -1 1 315.768 2.508 20 0 DFADMM C[C@@H](c1cccnc1)N(C)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820570143 606462120 /nfs/dbraw/zinc/46/21/20/606462120.db2.gz DUYYMXNMPYBASH-VIFPVBQESA-N -1 1 315.768 2.508 20 0 DFADMM Clc1ccc(N2CCC[C@@H]3CCC[C@@H]32)nc1-c1nnn[n-]1 ZINC000822578595 606469305 /nfs/dbraw/zinc/46/93/05/606469305.db2.gz LHGUIGIHAUCVLI-ONGXEEELSA-N -1 1 304.785 2.684 20 0 DFADMM Clc1ccc(N2CCC[C@@H]3CCC[C@@H]32)nc1-c1nn[n-]n1 ZINC000822578595 606469307 /nfs/dbraw/zinc/46/93/07/606469307.db2.gz LHGUIGIHAUCVLI-ONGXEEELSA-N -1 1 304.785 2.684 20 0 DFADMM c1ccc2c(c1)CCS[C@@H]2CNc1cccc(-c2nnn[n-]2)n1 ZINC000823756757 606478237 /nfs/dbraw/zinc/47/82/37/606478237.db2.gz GZFKXIAYJRTIHT-CQSZACIVSA-N -1 1 324.413 2.704 20 0 DFADMM c1ccc2c(c1)CCS[C@@H]2CNc1cccc(-c2nn[n-]n2)n1 ZINC000823756757 606478239 /nfs/dbraw/zinc/47/82/39/606478239.db2.gz GZFKXIAYJRTIHT-CQSZACIVSA-N -1 1 324.413 2.704 20 0 DFADMM CCN(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821230570 606487417 /nfs/dbraw/zinc/48/74/17/606487417.db2.gz NOQVSPRUUCZTAK-UHFFFAOYSA-N -1 1 313.386 2.591 20 0 DFADMM CCN(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821230570 606487418 /nfs/dbraw/zinc/48/74/18/606487418.db2.gz NOQVSPRUUCZTAK-UHFFFAOYSA-N -1 1 313.386 2.591 20 0 DFADMM CCCCC1CCC(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CC1 ZINC000821042723 606532232 /nfs/dbraw/zinc/53/22/32/606532232.db2.gz GUBPURDGGIBREX-UHFFFAOYSA-N -1 1 317.397 2.525 20 0 DFADMM CCCCC1CCC(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CC1 ZINC000821042723 606532234 /nfs/dbraw/zinc/53/22/34/606532234.db2.gz GUBPURDGGIBREX-UHFFFAOYSA-N -1 1 317.397 2.525 20 0 DFADMM CC[C@H](C)[C@@H](C)N(C(=O)c1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC000820862195 606551791 /nfs/dbraw/zinc/55/17/91/606551791.db2.gz PRRDIURJCUZQRB-VHSXEESVSA-N -1 1 319.434 2.967 20 0 DFADMM CC[C@H](C)[C@@H](C)N(C(=O)c1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC000820862195 606551793 /nfs/dbraw/zinc/55/17/93/606551793.db2.gz PRRDIURJCUZQRB-VHSXEESVSA-N -1 1 319.434 2.967 20 0 DFADMM CC(C)(NC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccs1 ZINC000819988059 606564279 /nfs/dbraw/zinc/56/42/79/606564279.db2.gz RVPZUTXQTXEZGI-UHFFFAOYSA-N -1 1 319.415 2.655 20 0 DFADMM CC(C)(NC(=O)c1ccc(-c2nn[n-]n2)s1)c1cccs1 ZINC000819988059 606564281 /nfs/dbraw/zinc/56/42/81/606564281.db2.gz RVPZUTXQTXEZGI-UHFFFAOYSA-N -1 1 319.415 2.655 20 0 DFADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000820462103 606593646 /nfs/dbraw/zinc/59/36/46/606593646.db2.gz UUQLQYLBHFWDEY-MMPTUQATSA-N -1 1 322.372 2.627 20 0 DFADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000820462103 606593648 /nfs/dbraw/zinc/59/36/48/606593648.db2.gz UUQLQYLBHFWDEY-MMPTUQATSA-N -1 1 322.372 2.627 20 0 DFADMM O=C(OCc1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000823426604 606635410 /nfs/dbraw/zinc/63/54/10/606635410.db2.gz LSLLSJMHFXLHSX-UHFFFAOYSA-N -1 1 322.296 2.563 20 0 DFADMM O=C(OCc1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000823426604 606635411 /nfs/dbraw/zinc/63/54/11/606635411.db2.gz LSLLSJMHFXLHSX-UHFFFAOYSA-N -1 1 322.296 2.563 20 0 DFADMM CCCC[C@@H](CC)CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821040616 606649393 /nfs/dbraw/zinc/64/93/93/606649393.db2.gz NRVLSLQSQXBWTH-GFCCVEGCSA-N -1 1 317.393 2.911 20 0 DFADMM CCCC[C@@H](CC)CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821040616 606649394 /nfs/dbraw/zinc/64/93/94/606649394.db2.gz NRVLSLQSQXBWTH-GFCCVEGCSA-N -1 1 317.393 2.911 20 0 DFADMM CC(C)CCCCCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820073353 606650809 /nfs/dbraw/zinc/65/08/09/606650809.db2.gz SKZMXQKIWBYJCF-UHFFFAOYSA-N -1 1 317.393 2.911 20 0 DFADMM CC(C)CCCCCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820073353 606650810 /nfs/dbraw/zinc/65/08/10/606650810.db2.gz SKZMXQKIWBYJCF-UHFFFAOYSA-N -1 1 317.393 2.911 20 0 DFADMM CC1(C)CCCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820596840 606874024 /nfs/dbraw/zinc/87/40/24/606874024.db2.gz SECQXNBVPAJTPN-NSHDSACASA-N -1 1 305.407 2.627 20 0 DFADMM CC1(C)CCCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820596840 606874026 /nfs/dbraw/zinc/87/40/26/606874026.db2.gz SECQXNBVPAJTPN-NSHDSACASA-N -1 1 305.407 2.627 20 0 DFADMM CCC[C@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000821040102 606875724 /nfs/dbraw/zinc/87/57/24/606875724.db2.gz INTWFVOHXOGYFC-JTQLQIEISA-N -1 1 306.801 2.932 20 0 DFADMM CCC[C@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000821040102 606875726 /nfs/dbraw/zinc/87/57/26/606875726.db2.gz INTWFVOHXOGYFC-JTQLQIEISA-N -1 1 306.801 2.932 20 0 DFADMM Cc1cccc(OCCOc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826299925 607865389 /nfs/dbraw/zinc/86/53/89/607865389.db2.gz BEIGFEWQFJZVBX-UHFFFAOYSA-N -1 1 314.320 2.772 20 0 DFADMM Cc1cccc(OCCOc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826299925 607865390 /nfs/dbraw/zinc/86/53/90/607865390.db2.gz BEIGFEWQFJZVBX-UHFFFAOYSA-N -1 1 314.320 2.772 20 0 DFADMM c1cc(Nc2ccc(N3CCCCC3)cc2)nc(-c2nn[n-]n2)c1 ZINC000826516919 607895104 /nfs/dbraw/zinc/89/51/04/607895104.db2.gz IDIRXZJYHGAMPJ-UHFFFAOYSA-N -1 1 321.388 2.996 20 0 DFADMM CCN(Cc1ccccc1Cl)c1cccc(-c2nnn[n-]2)n1 ZINC000825439733 607896466 /nfs/dbraw/zinc/89/64/66/607896466.db2.gz MBIHGCRJPWPWAF-UHFFFAOYSA-N -1 1 314.780 2.942 20 0 DFADMM CCN(Cc1ccccc1Cl)c1cccc(-c2nn[n-]n2)n1 ZINC000825439733 607896467 /nfs/dbraw/zinc/89/64/67/607896467.db2.gz MBIHGCRJPWPWAF-UHFFFAOYSA-N -1 1 314.780 2.942 20 0 DFADMM C[C@@H]1CCN(c2cccc(-c3nnn[n-]3)n2)[C@H]1c1cccc(F)c1 ZINC000824962115 607900749 /nfs/dbraw/zinc/90/07/49/607900749.db2.gz OLRVINCAFHQLEH-BDJLRTHQSA-N -1 1 324.363 2.988 20 0 DFADMM C[C@@H]1CCN(c2cccc(-c3nn[n-]n3)n2)[C@H]1c1cccc(F)c1 ZINC000824962115 607900750 /nfs/dbraw/zinc/90/07/50/607900750.db2.gz OLRVINCAFHQLEH-BDJLRTHQSA-N -1 1 324.363 2.988 20 0 DFADMM CC(C)CC1(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCC1 ZINC000824236403 607997802 /nfs/dbraw/zinc/99/78/02/607997802.db2.gz NIQNDCQUJAMAPA-UHFFFAOYSA-N -1 1 315.377 2.727 20 0 DFADMM Clc1c2ccccc2sc1Cn1ccnc1-c1nnn[n-]1 ZINC000826350421 608012899 /nfs/dbraw/zinc/01/28/99/608012899.db2.gz VMJFCNXQOWNICV-UHFFFAOYSA-N -1 1 316.777 2.980 20 0 DFADMM Clc1c2ccccc2sc1Cn1ccnc1-c1nn[n-]n1 ZINC000826350421 608012900 /nfs/dbraw/zinc/01/29/00/608012900.db2.gz VMJFCNXQOWNICV-UHFFFAOYSA-N -1 1 316.777 2.980 20 0 DFADMM CCC(CC)[C@H](C)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825097614 608075754 /nfs/dbraw/zinc/07/57/54/608075754.db2.gz XMMLFAUSMBEXHW-VIFPVBQESA-N -1 1 303.366 2.583 20 0 DFADMM O=Cc1ccc(Oc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826483935 608169860 /nfs/dbraw/zinc/16/98/60/608169860.db2.gz GNPRAWGXQWPLRT-UHFFFAOYSA-N -1 1 307.722 2.581 20 0 DFADMM Clc1nsc(Nc2ccc3c(c2)COC3)c1-c1nnn[n-]1 ZINC000826354606 608194386 /nfs/dbraw/zinc/19/43/86/608194386.db2.gz MRZWNLCEBCJFDP-UHFFFAOYSA-N -1 1 320.765 2.750 20 0 DFADMM Clc1nsc(Nc2ccc3c(c2)COC3)c1-c1nn[n-]n1 ZINC000826354606 608194387 /nfs/dbraw/zinc/19/43/87/608194387.db2.gz MRZWNLCEBCJFDP-UHFFFAOYSA-N -1 1 320.765 2.750 20 0 DFADMM CC(C)[C@@H]1CCCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000824214947 608227576 /nfs/dbraw/zinc/22/75/76/608227576.db2.gz IRKCGNQYLNKVJP-QMMMGPOBSA-N -1 1 312.830 2.992 20 0 DFADMM CC(C)[C@@H]1CCCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000824214947 608227578 /nfs/dbraw/zinc/22/75/78/608227578.db2.gz IRKCGNQYLNKVJP-QMMMGPOBSA-N -1 1 312.830 2.992 20 0 DFADMM CC(C)[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(F)cc1 ZINC000824199695 608391270 /nfs/dbraw/zinc/39/12/70/608391270.db2.gz LNFDXYRBDVKNRF-AWEZNQCLSA-N -1 1 313.340 2.605 20 0 DFADMM CC(C)[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(F)cc1 ZINC000824199695 608391272 /nfs/dbraw/zinc/39/12/72/608391272.db2.gz LNFDXYRBDVKNRF-AWEZNQCLSA-N -1 1 313.340 2.605 20 0 DFADMM CC(C)[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(F)cc1 ZINC000824199696 608391485 /nfs/dbraw/zinc/39/14/85/608391485.db2.gz LNFDXYRBDVKNRF-CQSZACIVSA-N -1 1 313.340 2.605 20 0 DFADMM CC(C)[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(F)cc1 ZINC000824199696 608391487 /nfs/dbraw/zinc/39/14/87/608391487.db2.gz LNFDXYRBDVKNRF-CQSZACIVSA-N -1 1 313.340 2.605 20 0 DFADMM CN(c1ccc(-c2nnn[n-]2)nn1)C1CCC(C(C)(C)C)CC1 ZINC000826004223 608401070 /nfs/dbraw/zinc/40/10/70/608401070.db2.gz OJXDIIFOYOCLPW-UHFFFAOYSA-N -1 1 315.425 2.698 20 0 DFADMM CN(c1ccc(-c2nn[n-]n2)nn1)C1CCC(C(C)(C)C)CC1 ZINC000826004223 608401073 /nfs/dbraw/zinc/40/10/73/608401073.db2.gz OJXDIIFOYOCLPW-UHFFFAOYSA-N -1 1 315.425 2.698 20 0 DFADMM CC[C@H](c1ccccc1)N(CC)c1ccc(-c2nnn[n-]2)nn1 ZINC000825158834 608406486 /nfs/dbraw/zinc/40/64/86/608406486.db2.gz BSIUZDOOSGIETE-CQSZACIVSA-N -1 1 309.377 2.634 20 0 DFADMM CC[C@H](c1ccccc1)N(CC)c1ccc(-c2nn[n-]n2)nn1 ZINC000825158834 608406487 /nfs/dbraw/zinc/40/64/87/608406487.db2.gz BSIUZDOOSGIETE-CQSZACIVSA-N -1 1 309.377 2.634 20 0 DFADMM CCC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CCCCC1 ZINC000825242723 608411176 /nfs/dbraw/zinc/41/11/76/608411176.db2.gz ZIMNCEOFEPROQZ-LBPRGKRZSA-N -1 1 301.398 2.818 20 0 DFADMM CCC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CCCCC1 ZINC000825242723 608411177 /nfs/dbraw/zinc/41/11/77/608411177.db2.gz ZIMNCEOFEPROQZ-LBPRGKRZSA-N -1 1 301.398 2.818 20 0 DFADMM FC(F)(F)Cc1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826368039 608423240 /nfs/dbraw/zinc/42/32/40/608423240.db2.gz ZVICUYYEERTFGG-UHFFFAOYSA-N -1 1 321.266 2.505 20 0 DFADMM FC(F)(F)Cc1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826368039 608423241 /nfs/dbraw/zinc/42/32/41/608423241.db2.gz ZVICUYYEERTFGG-UHFFFAOYSA-N -1 1 321.266 2.505 20 0 DFADMM CCCc1csc(NC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000825353203 608490639 /nfs/dbraw/zinc/49/06/39/608490639.db2.gz STWYLKVSCDNNCY-UHFFFAOYSA-N -1 1 320.403 2.590 20 0 DFADMM CCCc1csc(NC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000825353203 608490641 /nfs/dbraw/zinc/49/06/41/608490641.db2.gz STWYLKVSCDNNCY-UHFFFAOYSA-N -1 1 320.403 2.590 20 0 DFADMM Fc1cccc(Cl)c1OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826377127 608547189 /nfs/dbraw/zinc/54/71/89/608547189.db2.gz GGDALAZCHALADJ-UHFFFAOYSA-N -1 1 305.700 2.633 20 0 DFADMM Fc1cccc(Cl)c1OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826377127 608547190 /nfs/dbraw/zinc/54/71/90/608547190.db2.gz GGDALAZCHALADJ-UHFFFAOYSA-N -1 1 305.700 2.633 20 0 DFADMM CC1(C)CC(Nc2nccnc2-c2nnn[n-]2)CC(C)(C)C1 ZINC000824796628 609168915 /nfs/dbraw/zinc/16/89/15/609168915.db2.gz RZIHGNQFTFKGHE-UHFFFAOYSA-N -1 1 301.398 2.674 20 0 DFADMM CC1(C)CC(Nc2nccnc2-c2nn[n-]n2)CC(C)(C)C1 ZINC000824796628 609168917 /nfs/dbraw/zinc/16/89/17/609168917.db2.gz RZIHGNQFTFKGHE-UHFFFAOYSA-N -1 1 301.398 2.674 20 0 DFADMM CC(C)(C)Cc1nnc(NCc2ccc(-c3nn[n-]n3)s2)o1 ZINC000824093998 609265886 /nfs/dbraw/zinc/26/58/86/609265886.db2.gz OIIFYRKSSJUJCJ-UHFFFAOYSA-N -1 1 319.394 2.512 20 0 DFADMM CC1(C)C[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C(C)(C)O1 ZINC000824791196 609318512 /nfs/dbraw/zinc/31/85/12/609318512.db2.gz XEXLMKWVPOCSIM-SECBINFHSA-N -1 1 322.800 2.673 20 0 DFADMM CC1(C)C[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C(C)(C)O1 ZINC000824791196 609318514 /nfs/dbraw/zinc/31/85/14/609318514.db2.gz XEXLMKWVPOCSIM-SECBINFHSA-N -1 1 322.800 2.673 20 0 DFADMM CCC(CC)[C@H]1C[C@@H](Nc2cccc(-c3nnn[n-]3)n2)CCO1 ZINC000825106541 609321958 /nfs/dbraw/zinc/32/19/58/609321958.db2.gz FWKUWQKHMSYDRY-GXTWGEPZSA-N -1 1 316.409 2.657 20 0 DFADMM CCC(CC)[C@H]1C[C@@H](Nc2cccc(-c3nn[n-]n3)n2)CCO1 ZINC000825106541 609321960 /nfs/dbraw/zinc/32/19/60/609321960.db2.gz FWKUWQKHMSYDRY-GXTWGEPZSA-N -1 1 316.409 2.657 20 0 DFADMM CC(C)(C)C[C@H](NCc1ccc(-c2nnn[n-]2)o1)C(F)(F)F ZINC000824085940 609344203 /nfs/dbraw/zinc/34/42/03/609344203.db2.gz IBVVGPVIPKCNMQ-JTQLQIEISA-N -1 1 317.315 2.916 20 0 DFADMM CC(C)(C)C[C@H](NCc1ccc(-c2nn[n-]n2)o1)C(F)(F)F ZINC000824085940 609344204 /nfs/dbraw/zinc/34/42/04/609344204.db2.gz IBVVGPVIPKCNMQ-JTQLQIEISA-N -1 1 317.315 2.916 20 0 DFADMM C[C@@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)[C@@H]1CCCOC1 ZINC000824651464 609564407 /nfs/dbraw/zinc/56/44/07/609564407.db2.gz ZVNQQDUYLFOVOK-VXGBXAGGSA-N -1 1 324.388 2.642 20 0 DFADMM C[C@@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)[C@@H]1CCCOC1 ZINC000824651464 609564408 /nfs/dbraw/zinc/56/44/08/609564408.db2.gz ZVNQQDUYLFOVOK-VXGBXAGGSA-N -1 1 324.388 2.642 20 0 DFADMM CCc1cc(=O)[n-]c(SCc2csc(C(=O)OC)c2)n1 ZINC000413002384 295667537 /nfs/dbraw/zinc/66/75/37/295667537.db2.gz FUJREKDGPWASMZ-UHFFFAOYSA-N -1 1 310.400 2.885 20 0 DFADMM CCOC(=O)[C@H](Sc1ncc(C(=O)OC)[n-]1)c1ccccc1 ZINC000278632447 214289930 /nfs/dbraw/zinc/28/99/30/214289930.db2.gz KRLRSZBTYZWTJI-GFCCVEGCSA-N -1 1 320.370 2.593 20 0 DFADMM CCOC(=O)[C@H](Sc1nc(C(=O)OC)c[n-]1)c1ccccc1 ZINC000278632447 214289933 /nfs/dbraw/zinc/28/99/33/214289933.db2.gz KRLRSZBTYZWTJI-GFCCVEGCSA-N -1 1 320.370 2.593 20 0 DFADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc(Cl)ccn1 ZINC000314992862 231136414 /nfs/dbraw/zinc/13/64/14/231136414.db2.gz ZRMJXWPKEHZWTJ-UHFFFAOYSA-N -1 1 314.732 2.671 20 0 DFADMM CCC1CCN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)CC1 ZINC000081562809 398357988 /nfs/dbraw/zinc/35/79/88/398357988.db2.gz LKJVLJDYJCHQMM-UHFFFAOYSA-N -1 1 305.422 2.638 20 0 DFADMM O=S(=O)([N-]c1ccc2c(c1)OCCCO2)c1cccc(F)c1 ZINC000007054646 398358452 /nfs/dbraw/zinc/35/84/52/398358452.db2.gz ZUKRUVUTEJQJCE-UHFFFAOYSA-N -1 1 323.345 2.788 20 0 DFADMM COc1ccccc1CN(C)CCOc1ccccc1C(=O)[O-] ZINC000237158639 398367717 /nfs/dbraw/zinc/36/77/17/398367717.db2.gz LUJUPLGCHVNGPD-UHFFFAOYSA-N -1 1 315.369 2.904 20 0 DFADMM COc1ccc(-c2nsc([N-]C(=O)c3ocnc3C)n2)cc1 ZINC000081716504 398367981 /nfs/dbraw/zinc/36/79/81/398367981.db2.gz SFLVTAGFKYREBQ-UHFFFAOYSA-N -1 1 316.342 2.762 20 0 DFADMM C[C@H]1CCC[C@@H](CO)[N@H+]1Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000459374130 299090600 /nfs/dbraw/zinc/09/06/00/299090600.db2.gz WUZJGMLUXYFBTL-BBRMVZONSA-N -1 1 313.401 2.585 20 0 DFADMM Cn1cnc2cc([N-]S(=O)(=O)c3ccc(F)c(F)c3)ccc21 ZINC000083577472 398388842 /nfs/dbraw/zinc/38/88/42/398388842.db2.gz ZEEXYZRFSAYGCD-UHFFFAOYSA-N -1 1 323.324 2.652 20 0 DFADMM Cc1nc(-c2ccc(NC[C@@H]3CC[C@@H](C)O3)nc2)[n-]c(=O)c1C ZINC000413376107 295702997 /nfs/dbraw/zinc/70/29/97/295702997.db2.gz MCPZKURTWJBLLW-YGRLFVJLSA-N -1 1 314.389 2.840 20 0 DFADMM CCCNC(=O)CCn1c(=S)[n-]nc1-c1ccc(OC)cc1 ZINC000016639803 398402311 /nfs/dbraw/zinc/40/23/11/398402311.db2.gz RPZAQJWUJDQQSW-UHFFFAOYSA-N -1 1 320.418 2.533 20 0 DFADMM COCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000066936582 398408027 /nfs/dbraw/zinc/40/80/27/398408027.db2.gz IOUGRQNBTKVLDU-UHFFFAOYSA-N -1 1 318.247 2.758 20 0 DFADMM C[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)n1nnnc1C(C)(C)C ZINC000272761004 210165622 /nfs/dbraw/zinc/16/56/22/210165622.db2.gz QHRBMUFHESXZPP-MRVPVSSYSA-N -1 1 323.784 2.529 20 0 DFADMM CN(Cc1nc(=O)c2sccc2[n-]1)C[C@@H]1CCC(C)(C)O1 ZINC000299390167 530024112 /nfs/dbraw/zinc/02/41/12/530024112.db2.gz RLQXYZROIQXZSK-JTQLQIEISA-N -1 1 307.419 2.786 20 0 DFADMM CCOC(=O)c1cnc(NC(=O)[C@H]2CCCC[C@@H]2C2CC2)[n-]1 ZINC000592630153 398457737 /nfs/dbraw/zinc/45/77/37/398457737.db2.gz GSNAHKGRHHURSL-NEPJUHHUSA-N -1 1 305.378 2.741 20 0 DFADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H]2CCCC[C@@H]2C2CC2)n1 ZINC000592630153 398457742 /nfs/dbraw/zinc/45/77/42/398457742.db2.gz GSNAHKGRHHURSL-NEPJUHHUSA-N -1 1 305.378 2.741 20 0 DFADMM CSc1nc(C)c(CCC(=O)N(C)[C@H](C)C(C)C)c(=O)[n-]1 ZINC000027184344 398460260 /nfs/dbraw/zinc/46/02/60/398460260.db2.gz AZLMCEXJPHFOQQ-LLVKDONJSA-N -1 1 311.451 2.648 20 0 DFADMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000046303917 282375838 /nfs/dbraw/zinc/37/58/38/282375838.db2.gz SRERYJCNMBVMPB-UHFFFAOYSA-N -1 1 318.398 2.539 20 0 DFADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1 ZINC000068074768 398477030 /nfs/dbraw/zinc/47/70/30/398477030.db2.gz TWAXTPFMAKLFHV-UHFFFAOYSA-N -1 1 317.366 2.720 20 0 DFADMM COc1cc(C(=O)N2CCC[C@](C)(OC)C2)cc(Cl)c1[O-] ZINC000331016965 232347873 /nfs/dbraw/zinc/34/78/73/232347873.db2.gz LYOZIMJSZJEIMZ-HNNXBMFYSA-N -1 1 313.781 2.695 20 0 DFADMM CC1(C)CCC[N@@H+](CCNC(=O)c2ccc([O-])c(Cl)c2)C1 ZINC000444628574 297242126 /nfs/dbraw/zinc/24/21/26/297242126.db2.gz IFKDCIHOAUGLSY-UHFFFAOYSA-N -1 1 310.825 2.897 20 0 DFADMM COc1cc(F)c(S(=O)(=O)[N-]C2(C)CCCCC2)c(F)c1 ZINC000588679043 398503517 /nfs/dbraw/zinc/50/35/17/398503517.db2.gz DPYNCKYBJXESIB-UHFFFAOYSA-N -1 1 319.373 2.975 20 0 DFADMM CC(C)n1c(=S)[n-]nc1C1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 ZINC000068447143 398504780 /nfs/dbraw/zinc/50/47/80/398504780.db2.gz GZALYOKIQLZXDA-CMPLNLGQSA-N -1 1 308.451 2.884 20 0 DFADMM CCCn1c(C[N-]c2nnc(COCC)o2)nc2ccccc21 ZINC000181850749 199361999 /nfs/dbraw/zinc/36/19/99/199361999.db2.gz JEFXLYVXFBWVGF-UHFFFAOYSA-N -1 1 315.377 2.978 20 0 DFADMM CC[C@H](NC(=O)c1c(F)ccc([O-])c1F)C(=O)OC(C)(C)C ZINC000592898430 398506444 /nfs/dbraw/zinc/50/64/44/398506444.db2.gz ZBGQCSSGZDZBJQ-VIFPVBQESA-N -1 1 315.316 2.521 20 0 DFADMM O=C(c1cc2ccccc2cc1[O-])N1CCC2(CC1)OCCO2 ZINC000031180123 398512402 /nfs/dbraw/zinc/51/24/02/398512402.db2.gz HDGLACHOGBDKNE-UHFFFAOYSA-N -1 1 313.353 2.525 20 0 DFADMM O=C([O-])[C@@]1(C(F)(F)F)CCN(CCOc2ccccc2F)C1 ZINC000315020879 398523103 /nfs/dbraw/zinc/52/31/03/398523103.db2.gz BZHKDKXDWUYPKZ-CYBMUJFWSA-N -1 1 321.270 2.544 20 0 DFADMM CC[C@@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)[C@H](O)C(C)C ZINC000413988188 295755322 /nfs/dbraw/zinc/75/53/22/295755322.db2.gz XHBIAKKAROFYHB-DGCLKSJQSA-N -1 1 315.797 2.580 20 0 DFADMM CCO[C@H](CC[N-]S(=O)(=O)c1cc(F)ccc1F)C(C)C ZINC000072715434 282515458 /nfs/dbraw/zinc/51/54/58/282515458.db2.gz QNBUACSNHKRLJQ-CYBMUJFWSA-N -1 1 321.389 2.694 20 0 DFADMM O=S(=O)([N-]Cc1ccccn1)c1cc(Cl)sc1Cl ZINC000032548602 398533158 /nfs/dbraw/zinc/53/31/58/398533158.db2.gz QFTJZSNVHIFGIV-UHFFFAOYSA-N -1 1 323.226 2.928 20 0 DFADMM O=C(c1ncccc1[O-])N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000121548566 185815732 /nfs/dbraw/zinc/81/57/32/185815732.db2.gz MHNNJTAANLHWSR-LLVKDONJSA-N -1 1 318.760 2.734 20 0 DFADMM O=C([O-])[C@H]1Cc2ccccc2CN1Cc1ccccc1[N+](=O)[O-] ZINC000320711723 398548280 /nfs/dbraw/zinc/54/82/80/398548280.db2.gz HDBRTRLHHREBEZ-MRXNPFEDSA-N -1 1 312.325 2.606 20 0 DFADMM CC(C)CSCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000069050208 398545761 /nfs/dbraw/zinc/54/57/61/398545761.db2.gz FXIIWSBINZSOAV-UHFFFAOYSA-N -1 1 317.357 2.934 20 0 DFADMM CCOc1ccc(C(C)=O)cc1CN1CCC[C@](C)(C(=O)[O-])C1 ZINC000320916506 398550517 /nfs/dbraw/zinc/55/05/17/398550517.db2.gz PTVHSMMSUPJBRW-SFHVURJKSA-N -1 1 319.401 2.975 20 0 DFADMM COCc1ccccc1[N-]S(=O)(=O)c1cccc(OC)c1 ZINC000589433035 398551747 /nfs/dbraw/zinc/55/17/47/398551747.db2.gz CIOIBZUREQPFKP-UHFFFAOYSA-N -1 1 307.371 2.642 20 0 DFADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1O ZINC000070332894 190880809 /nfs/dbraw/zinc/88/08/09/190880809.db2.gz IYQMRCFUAAHOIA-UHFFFAOYSA-N -1 1 303.383 2.990 20 0 DFADMM COc1ccc(C(=O)Nc2cccc(-n3ccnc3)c2)c([O-])c1 ZINC000079219288 282604881 /nfs/dbraw/zinc/60/48/81/282604881.db2.gz SAPMSXQELMGETG-UHFFFAOYSA-N -1 1 309.325 2.839 20 0 DFADMM CSCCO[N-]C(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000279866319 215192360 /nfs/dbraw/zinc/19/23/60/215192360.db2.gz DGJMCUXILCXUMZ-VIFPVBQESA-N -1 1 318.236 2.963 20 0 DFADMM CCC[C@H](C)S(=O)(=O)[N-]c1scc(C(=O)OC)c1C ZINC000593209524 398572166 /nfs/dbraw/zinc/57/21/66/398572166.db2.gz AGTFAIHCQZWDEU-QMMMGPOBSA-N -1 1 305.421 2.773 20 0 DFADMM COC(C)(C)CS(=O)(=O)[N-]c1c(C)cccc1SC ZINC000414387665 295795960 /nfs/dbraw/zinc/79/59/60/295795960.db2.gz YXGIMHZCDWTCFJ-UHFFFAOYSA-N -1 1 303.449 2.884 20 0 DFADMM CSCCc1ccc([N-]S(=O)(=O)c2cccn2C)cc1 ZINC000414387160 295795971 /nfs/dbraw/zinc/79/59/71/295795971.db2.gz YQJWFKDKLKXVSX-UHFFFAOYSA-N -1 1 310.444 2.731 20 0 DFADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccc2c(c1)OCCO2 ZINC000081938943 282642017 /nfs/dbraw/zinc/64/20/17/282642017.db2.gz PMHHLBQDTOAVRL-JTQLQIEISA-N -1 1 317.316 2.794 20 0 DFADMM O=C(NCc1ccc(-n2cccn2)cc1)c1cc(F)ccc1[O-] ZINC000081940114 282642069 /nfs/dbraw/zinc/64/20/69/282642069.db2.gz PMXHNVAKABQQFG-UHFFFAOYSA-N -1 1 311.316 2.647 20 0 DFADMM O=C(CSc1ccc(F)cc1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000043996968 398634252 /nfs/dbraw/zinc/63/42/52/398634252.db2.gz IBUOJUUWHSKJGO-UHFFFAOYSA-N -1 1 320.271 2.693 20 0 DFADMM O=C(Nc1nc2c(s1)C(=O)CCC2)c1ccc([O-])c(F)c1 ZINC000681089404 545594994 /nfs/dbraw/zinc/59/49/94/545594994.db2.gz FCGCNLPJWCPGTK-UHFFFAOYSA-N -1 1 306.318 2.759 20 0 DFADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H](n2ccnc2)C1 ZINC000590816476 398680854 /nfs/dbraw/zinc/68/08/54/398680854.db2.gz WIWJDDSXEULHDH-GFCCVEGCSA-N -1 1 305.765 2.719 20 0 DFADMM CCn1c(CNC(=O)C/C=C/c2ccc(F)cc2)n[n-]c1=S ZINC000080640858 192176925 /nfs/dbraw/zinc/17/69/25/192176925.db2.gz WBADGHPIFVCLMY-ONEGZZNKSA-N -1 1 320.393 2.819 20 0 DFADMM O=c1cc(CN2CCO[C@@H]3CCCC[C@@H]32)c2ccc([O-])cc2o1 ZINC000182051299 199379486 /nfs/dbraw/zinc/37/94/86/199379486.db2.gz QIWRSDCALAZDJP-JKSUJKDBSA-N -1 1 315.369 2.642 20 0 DFADMM Cc1cncc(CNC(=O)c2ccc(Br)cc2[O-])c1 ZINC000124419119 282865643 /nfs/dbraw/zinc/86/56/43/282865643.db2.gz OYFUOEFVCOLZTG-UHFFFAOYSA-N -1 1 321.174 2.788 20 0 DFADMM CC(C)(C)OC(=O)C[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC000593849532 398696966 /nfs/dbraw/zinc/69/69/66/398696966.db2.gz IBUGEWLHVQMRTI-LBPRGKRZSA-N -1 1 320.389 2.514 20 0 DFADMM O=C([N-]c1nnc(Cc2ccc(F)cc2)s1)c1cocn1 ZINC000106704032 398699330 /nfs/dbraw/zinc/69/93/30/398699330.db2.gz KBLUJGXHTZLTAW-UHFFFAOYSA-N -1 1 304.306 2.508 20 0 DFADMM CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000593889754 398700977 /nfs/dbraw/zinc/70/09/77/398700977.db2.gz ITLQEZIOKFBHBW-GFCCVEGCSA-N -1 1 311.353 2.724 20 0 DFADMM Cc1ccccc1[C@H]1CN(C(=O)c2cncc([O-])c2)[C@@H](C)CO1 ZINC000174345779 198322372 /nfs/dbraw/zinc/32/23/72/198322372.db2.gz HNLCKJILACTJTJ-SUMWQHHRSA-N -1 1 312.369 2.698 20 0 DFADMM CC(C)(C)CCCC(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000590960481 398708944 /nfs/dbraw/zinc/70/89/44/398708944.db2.gz BUSFCKRWFMGZKN-CQSZACIVSA-N -1 1 301.394 2.622 20 0 DFADMM Cn1cccc1C(=O)CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000127048832 282931002 /nfs/dbraw/zinc/93/10/02/282931002.db2.gz UJKMGYGEOJMWAE-UHFFFAOYSA-N -1 1 317.292 2.515 20 0 DFADMM O=C(Nc1ccn(CC(F)(F)F)n1)c1cc(F)ccc1[O-] ZINC000127373493 282942027 /nfs/dbraw/zinc/94/20/27/282942027.db2.gz DKZMGNWCAQXTMY-UHFFFAOYSA-N -1 1 303.215 2.542 20 0 DFADMM CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000003569774 181036354 /nfs/dbraw/zinc/03/63/54/181036354.db2.gz FZFHURFIRGLOGJ-UHFFFAOYSA-N -1 1 318.398 2.546 20 0 DFADMM Cc1cc(NC(=O)c2ccc([O-])c(F)c2)n(C2CCOCC2)n1 ZINC000681058872 545591493 /nfs/dbraw/zinc/59/14/93/545591493.db2.gz XXNRWGBASCUXKK-UHFFFAOYSA-N -1 1 319.336 2.640 20 0 DFADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc[nH]n3)c2)cc1 ZINC000074049786 398720026 /nfs/dbraw/zinc/72/00/26/398720026.db2.gz GIJRIFHPTILGFN-UHFFFAOYSA-N -1 1 314.370 2.581 20 0 DFADMM COc1cccc(CN[C@H](C(=O)[O-])c2ccc(C)cc2)c1OC ZINC000277016760 213240760 /nfs/dbraw/zinc/24/07/60/213240760.db2.gz NQASBOKQTNWWQA-INIZCTEOSA-N -1 1 315.369 2.928 20 0 DFADMM CC(=O)N1CCc2c1cccc2NC(=O)c1ccc([O-])c(F)c1 ZINC000681122498 545600605 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/nfs/dbraw/zinc/54/16/25/286541625.db2.gz HYULFUDKWFLFCB-UHFFFAOYSA-N -1 1 317.732 2.933 20 0 DFADMM [O-]c1cccc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)c1Cl ZINC000351503885 158228018 /nfs/dbraw/zinc/22/80/18/158228018.db2.gz YGMTZECQUSNVSL-CABZTGNLSA-N -1 1 309.715 2.933 20 0 DFADMM Cc1cnc(C(=O)N2CCC[C@H]2CC(=O)c2ccccc2)c([O-])c1 ZINC000358549491 158388748 /nfs/dbraw/zinc/38/87/48/158388748.db2.gz QTCZQVSWDNIFLV-HNNXBMFYSA-N -1 1 324.380 2.973 20 0 DFADMM CC[C@@H]1CN(Cc2cccc([O-])c2Cl)C[C@H](C)[S@]1=O ZINC000294824889 287200758 /nfs/dbraw/zinc/20/07/58/287200758.db2.gz XYAIICQWHJYKGK-DJHSXXLPSA-N -1 1 301.839 2.777 20 0 DFADMM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cncc([O-])c1 ZINC000129334405 196040299 /nfs/dbraw/zinc/04/02/99/196040299.db2.gz KIOCAZHHGCLAQD-RISCZKNCSA-N -1 1 300.333 2.945 20 0 DFADMM CC(=O)N[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)C1CCCC1 ZINC000129538612 196055960 /nfs/dbraw/zinc/05/59/60/196055960.db2.gz JEBDRLSLYOARRS-CQSZACIVSA-N -1 1 310.781 2.679 20 0 DFADMM C[C@@H]1CCC(=O)[C@@H](Sc2nc([O-])cc(=O)n2C2CCCC2)C1 ZINC000331983033 287244991 /nfs/dbraw/zinc/24/49/91/287244991.db2.gz TVGVBOJFFXLMED-MFKMUULPSA-N -1 1 322.430 2.914 20 0 DFADMM C[C@@H]1CCC(=O)[C@@H](Sc2nc(=O)cc([O-])n2C2CCCC2)C1 ZINC000331983033 287244992 /nfs/dbraw/zinc/24/49/92/287244992.db2.gz TVGVBOJFFXLMED-MFKMUULPSA-N -1 1 322.430 2.914 20 0 DFADMM Cn1nccc1C1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000131905949 196208969 /nfs/dbraw/zinc/20/89/69/196208969.db2.gz RCFTVONPIKBEKR-UHFFFAOYSA-N -1 1 319.792 2.799 20 0 DFADMM O=S(=O)(c1n[n-]c(C2CC2)n1)[C@@H]1CCc2c1cccc2Cl ZINC000133093860 196311056 /nfs/dbraw/zinc/31/10/56/196311056.db2.gz RSARFSJIARFFBH-GFCCVEGCSA-N -1 1 323.805 2.797 20 0 DFADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc3n[nH]cc32)c1 ZINC000054293879 425889979 /nfs/dbraw/zinc/88/99/79/425889979.db2.gz OZGWNHUODYABOZ-UHFFFAOYSA-N -1 1 301.371 2.981 20 0 DFADMM O=C(c1ncc2ccccc2c1[O-])N1CCC(c2ncc[nH]2)CC1 ZINC000667653090 543651266 /nfs/dbraw/zinc/65/12/66/543651266.db2.gz 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Cc1cc([N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)cc2[nH]ncc21 ZINC000677998130 544578367 /nfs/dbraw/zinc/57/83/67/544578367.db2.gz WTQCMYVCOMHUTQ-UHFFFAOYSA-N -1 1 319.390 2.519 20 0 DFADMM CC[C@]1([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCOC1 ZINC000682937272 545944139 /nfs/dbraw/zinc/94/41/39/545944139.db2.gz HCVMWJLZXOHWRL-LBPRGKRZSA-N -1 1 324.229 2.841 20 0 DFADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccn(C(F)F)n1 ZINC000678935004 544752277 /nfs/dbraw/zinc/75/22/77/544752277.db2.gz AGZISWGDOVANKP-UHFFFAOYSA-N -1 1 319.271 2.626 20 0 DFADMM C[C@H]1CCN(C(=O)c2ccc(Br)c([O-])c2)C[C@@H]1F ZINC000679276005 544820054 /nfs/dbraw/zinc/82/00/54/544820054.db2.gz PFYFLHZOSDHCJU-KWQFWETISA-N -1 1 316.170 2.975 20 0 DFADMM Cc1nc(-c2ccc(NCCc3ccccn3)nc2)[n-]c(=O)c1C ZINC000301366339 229653323 /nfs/dbraw/zinc/65/33/23/229653323.db2.gz QKKPUYUJNHFCAD-UHFFFAOYSA-N -1 1 321.384 2.911 20 0 DFADMM Cc1noc(C)c1S(=O)(=O)[N-]C1(C)CCC(F)(F)CC1 ZINC000680094790 544957495 /nfs/dbraw/zinc/95/74/95/544957495.db2.gz 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ZINC000007056571 425634749 /nfs/dbraw/zinc/63/47/49/425634749.db2.gz BGCGPCCNXOODGR-UHFFFAOYSA-N -1 1 306.387 2.844 20 0 DFADMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)NC2CCCCC2)n1 ZINC000011443514 425708394 /nfs/dbraw/zinc/70/83/94/425708394.db2.gz UMMOCMPUAYQFSC-LLVKDONJSA-N -1 1 323.462 2.652 20 0 DFADMM CCCc1cc(=O)[n-]c(S[C@H](C(N)=O)c2ccc(F)cc2)n1 ZINC000011241494 425709037 /nfs/dbraw/zinc/70/90/37/425709037.db2.gz ICGZHCQHCHSIAA-ZDUSSCGKSA-N -1 1 321.377 2.593 20 0 DFADMM CC[C@@H]1CCCN(C(=O)CCc2c(C)nc(SC)[n-]c2=O)C1 ZINC000027152964 425814700 /nfs/dbraw/zinc/81/47/00/425814700.db2.gz NWEGJFCZAOZLPU-GFCCVEGCSA-N -1 1 323.462 2.794 20 0 DFADMM COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cc1F ZINC000032589271 425839226 /nfs/dbraw/zinc/83/92/26/425839226.db2.gz HFBMXRXCCIOGBW-UHFFFAOYSA-N -1 1 317.288 2.913 20 0 DFADMM O=C([O-])C[C@H]1CCCCN1CC(=O)Nc1ccc(Cl)cc1 ZINC000038027690 425850036 /nfs/dbraw/zinc/85/00/36/425850036.db2.gz OMHONJPCFMWRMG-CYBMUJFWSA-N -1 1 310.781 2.608 20 0 DFADMM COCCc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000191890422 268018055 /nfs/dbraw/zinc/01/80/55/268018055.db2.gz OXDSLRJEEFUHQJ-UHFFFAOYSA-N -1 1 309.362 2.815 20 0 DFADMM Cc1noc([N-]C(=O)c2cc(Br)c(F)cc2F)n1 ZINC000191957206 268020695 /nfs/dbraw/zinc/02/06/95/268020695.db2.gz VGPDMWNTNGACIJ-UHFFFAOYSA-N -1 1 318.077 2.671 20 0 DFADMM O=C(Nc1cccc(NC(=O)C2CC2)c1)c1ccc(O)cc1[O-] ZINC000193049321 268057909 /nfs/dbraw/zinc/05/79/09/268057909.db2.gz OZEWGEPPVULNNL-UHFFFAOYSA-N -1 1 312.325 2.699 20 0 DFADMM Cc1nn(C)c(C)c1CCNC(=O)c1ccc2ccccc2c1[O-] ZINC000193306876 268064170 /nfs/dbraw/zinc/06/41/70/268064170.db2.gz KYQZXBFJAMFNHJ-UHFFFAOYSA-N -1 1 323.396 2.868 20 0 DFADMM Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)c1 ZINC000047367437 425869214 /nfs/dbraw/zinc/86/92/14/425869214.db2.gz DXCJQUSJLGOHTC-UHFFFAOYSA-N -1 1 319.382 2.957 20 0 DFADMM O=C(NCc1ccc(CO)c(F)c1)c1cc(Cl)ccc1[O-] ZINC000194214308 268095256 /nfs/dbraw/zinc/09/52/56/268095256.db2.gz IXWBZQWEEWTCKC-UHFFFAOYSA-N -1 1 309.724 2.607 20 0 DFADMM O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1ccc(O)cc1[O-] ZINC000194208365 268095489 /nfs/dbraw/zinc/09/54/89/268095489.db2.gz BKCVUMLXEOLIQJ-UHFFFAOYSA-N -1 1 313.288 2.675 20 0 DFADMM CCc1cc(=O)[n-]c(SCC(=O)NCCC2CCCCC2)n1 ZINC000195061015 268126225 /nfs/dbraw/zinc/12/62/25/268126225.db2.gz FHKACMJIFSPVAK-UHFFFAOYSA-N -1 1 323.462 2.511 20 0 DFADMM CC[C@H](NC(=O)c1cc(Br)ccc1[O-])c1ncc[nH]1 ZINC000221511867 268141271 /nfs/dbraw/zinc/14/12/71/268141271.db2.gz XIORGBDKGMDBLC-JTQLQIEISA-N -1 1 324.178 2.759 20 0 DFADMM Cc1nc(C(C)(C)[N-]C(=O)C(F)(F)c2ccccc2F)no1 ZINC000270862851 268227966 /nfs/dbraw/zinc/22/79/66/268227966.db2.gz RLOVCBCAYRBESD-UHFFFAOYSA-N -1 1 313.279 2.660 20 0 DFADMM COCc1nsc([N-]C(=O)c2ccoc2C(F)(F)F)n1 ZINC000290658816 268281964 /nfs/dbraw/zinc/28/19/64/268281964.db2.gz ILGSDRQELWCSMH-UHFFFAOYSA-N -1 1 307.253 2.549 20 0 DFADMM COC(=O)c1cc(C)ccc1NC(=O)c1ccc(OC)cc1[O-] ZINC000319849084 268346620 /nfs/dbraw/zinc/34/66/20/268346620.db2.gz PMYZRLHACUQKEK-UHFFFAOYSA-N -1 1 315.325 2.748 20 0 DFADMM Cc1noc(C)c1S(=O)(=O)[N-]C[C@H]1CCCCC(F)(F)C1 ZINC000331490752 268357415 /nfs/dbraw/zinc/35/74/15/268357415.db2.gz MXZJPTYBGGIIPJ-NSHDSACASA-N -1 1 322.377 2.785 20 0 DFADMM COCC1(C)CCN(Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000332663836 268360205 /nfs/dbraw/zinc/36/02/05/268360205.db2.gz XQIIMJOYPLTDAV-UHFFFAOYSA-N -1 1 307.419 2.645 20 0 DFADMM O=C(Nc1ccc(F)cc1[O-])C1CN(C(=O)C2CCCCC2)C1 ZINC000333061908 268372121 /nfs/dbraw/zinc/37/21/21/268372121.db2.gz DIDKSLUHIPQWBF-UHFFFAOYSA-N -1 1 320.364 2.509 20 0 DFADMM CCNc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000050639597 425881989 /nfs/dbraw/zinc/88/19/89/425881989.db2.gz ILCTZNBZLYQAIQ-UHFFFAOYSA-N -1 1 313.329 2.592 20 0 DFADMM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000107492157 425994258 /nfs/dbraw/zinc/99/42/58/425994258.db2.gz BAPDDVPPISGLJW-UHFFFAOYSA-N -1 1 322.361 2.609 20 0 DFADMM CNC(=O)c1ccc(NC(=O)c2ccccc2[O-])cc1Cl ZINC000124838729 425940902 /nfs/dbraw/zinc/94/09/02/425940902.db2.gz MYYNYXGTVZOKEP-UHFFFAOYSA-N -1 1 304.733 2.658 20 0 DFADMM O=C(NC[C@@H](O)Cc1ccccc1)c1cc2ccccc2cc1[O-] ZINC000104910259 425966154 /nfs/dbraw/zinc/96/61/54/425966154.db2.gz DZWIZEAKEZTHPC-KRWDZBQOSA-N -1 1 321.376 2.879 20 0 DFADMM O=C(NCc1ccc(Br)s1)c1ncccc1[O-] ZINC000070267117 425970697 /nfs/dbraw/zinc/97/06/97/425970697.db2.gz SRLVVFIUFCCPAE-UHFFFAOYSA-N -1 1 313.176 2.541 20 0 DFADMM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2nc(-c3ccco3)n[nH]2)c1 ZINC000106904175 425979374 /nfs/dbraw/zinc/97/93/74/425979374.db2.gz YOLGVZQPLXHYOG-STQMWFEESA-N -1 1 324.340 2.816 20 0 DFADMM Cc1cc(C[C@H](C)NC(=O)c2ccc3ccccc3c2[O-])[nH]n1 ZINC000161594256 426031290 /nfs/dbraw/zinc/03/12/90/426031290.db2.gz WCTOUWCZGMYIMS-NSHDSACASA-N -1 1 309.369 2.938 20 0 DFADMM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2cccc(F)c2)[nH]n1 ZINC000126757260 426035153 /nfs/dbraw/zinc/03/51/53/426035153.db2.gz QGYZTMRZFKBSEH-UHFFFAOYSA-N -1 1 311.382 2.938 20 0 DFADMM CCCCNC(=O)[C@H](C)Sc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000127045466 426048273 /nfs/dbraw/zinc/04/82/73/426048273.db2.gz MQXRWJPCIXXWSC-ZETCQYMHSA-N -1 1 323.340 2.598 20 0 DFADMM CCOc1ccc([C@@H](C)NC(=O)c2cncc([O-])c2)cc1OC ZINC000111563613 426053061 /nfs/dbraw/zinc/05/30/61/426053061.db2.gz NNGXBCRZTIEVHP-LLVKDONJSA-N -1 1 316.357 2.686 20 0 DFADMM Cc1ccc(NC(=O)c2cncc([O-])c2)cc1OCC(F)F ZINC000111596327 426053428 /nfs/dbraw/zinc/05/34/28/426053428.db2.gz MSTNDQRMHDDTBM-UHFFFAOYSA-N -1 1 308.284 2.992 20 0 DFADMM CC(C)(C)C[C@@H]1CCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000127374674 426064128 /nfs/dbraw/zinc/06/41/28/426064128.db2.gz MDMNYCQOSHPJJE-LBPRGKRZSA-N -1 1 313.401 2.964 20 0 DFADMM Cc1cccc(CC[N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000337743813 268540728 /nfs/dbraw/zinc/54/07/28/268540728.db2.gz MSYIONGGBISNEI-UHFFFAOYSA-N -1 1 311.353 2.794 20 0 DFADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(Cl)c(F)c1 ZINC000126184906 426008735 /nfs/dbraw/zinc/00/87/35/426008735.db2.gz SJGLEROPAKSMPK-UHFFFAOYSA-N -1 1 308.622 2.868 20 0 DFADMM CCCO[C@H]1CCCN(Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000108394744 426014910 /nfs/dbraw/zinc/01/49/10/426014910.db2.gz QTDTWBCRHGBEAR-LBPRGKRZSA-N -1 1 321.446 2.766 20 0 DFADMM CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cncc([O-])c1 ZINC000128202291 426106875 /nfs/dbraw/zinc/10/68/75/426106875.db2.gz RMCFENBJELHWBQ-BONVTDFDSA-N -1 1 320.776 2.947 20 0 DFADMM CCc1csc([C@@H]2CCCN(C(=O)c3ncccc3[O-])C2)n1 ZINC000113440195 426114470 /nfs/dbraw/zinc/11/44/70/426114470.db2.gz ALNOBEWBHGGGJA-LLVKDONJSA-N -1 1 317.414 2.826 20 0 DFADMM COc1ccc(-c2nc(CN3CCC[C@H](C(=O)[O-])C3)co2)cc1 ZINC000164605589 426116228 /nfs/dbraw/zinc/11/62/28/426116228.db2.gz AIKMWHCXEKETSX-ZDUSSCGKSA-N -1 1 316.357 2.647 20 0 DFADMM CSc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000164630905 426117404 /nfs/dbraw/zinc/11/74/04/426117404.db2.gz XHEILNXFRZYPRV-NEPJUHHUSA-N -1 1 322.430 2.532 20 0 DFADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ncccc1Cl ZINC000128623283 426125710 /nfs/dbraw/zinc/12/57/10/426125710.db2.gz KKZOAZQQUBUPJI-UHFFFAOYSA-N -1 1 300.742 2.983 20 0 DFADMM COc1cccc(-c2nsc([N-]C(=O)c3cc(C)on3)n2)c1 ZINC000077306514 426126738 /nfs/dbraw/zinc/12/67/38/426126738.db2.gz XLBMVICMEDBKSA-UHFFFAOYSA-N -1 1 316.342 2.762 20 0 DFADMM C[C@@H]1c2cccn2CCN1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000170744457 426147426 /nfs/dbraw/zinc/14/74/26/426147426.db2.gz CMHWFOVQGMGLPC-GFCCVEGCSA-N -1 1 310.353 2.877 20 0 DFADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H](n2cncn2)C1 ZINC000170897020 426157636 /nfs/dbraw/zinc/15/76/36/426157636.db2.gz PQQJWSXCXYETOU-OAHLLOKOSA-N -1 1 322.368 2.614 20 0 DFADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(C[S@](C)=O)c1 ZINC000115313475 426161068 /nfs/dbraw/zinc/16/10/68/426161068.db2.gz MXZGACWCHYZVQK-HXUWFJFHSA-N -1 1 323.439 2.674 20 0 DFADMM Cc1noc(C)c1C[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000131327689 426165105 /nfs/dbraw/zinc/16/51/05/426165105.db2.gz FQXCVZFYTGGKTP-UHFFFAOYSA-N -1 1 318.757 2.562 20 0 DFADMM COCCC(C)(C)C[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000133376933 426175460 /nfs/dbraw/zinc/17/54/60/426175460.db2.gz QMBVTOTZQDESOK-UHFFFAOYSA-N -1 1 323.817 2.820 20 0 DFADMM O=C([N-]Cc1cccc(NC(=O)C2CCC2)c1)C(F)(F)F ZINC000171248162 426178618 /nfs/dbraw/zinc/17/86/18/426178618.db2.gz ZCNCOHGZPMBOGO-UHFFFAOYSA-N -1 1 300.280 2.604 20 0 DFADMM O=C(NCc1csc(-c2ccccc2)n1)c1ncccc1[O-] ZINC000171278496 426181696 /nfs/dbraw/zinc/18/16/96/426181696.db2.gz SOTDYHFIJGBDJA-UHFFFAOYSA-N -1 1 311.366 2.841 20 0 DFADMM Cc1ccc(S(=O)(=O)Nc2cccc(C)c2C(=O)[O-])c(F)c1 ZINC000078763848 426184544 /nfs/dbraw/zinc/18/45/44/426184544.db2.gz DOQGIBIDLQGVOU-UHFFFAOYSA-N -1 1 323.345 2.942 20 0 DFADMM COc1cccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1 ZINC000078776017 426186019 /nfs/dbraw/zinc/18/60/19/426186019.db2.gz QOSLZNGGAVBZHA-UHFFFAOYSA-N -1 1 315.373 2.637 20 0 DFADMM O=C(NCc1cnn(-c2ccccc2)c1)c1cc(F)ccc1[O-] ZINC000081934090 426226827 /nfs/dbraw/zinc/22/68/27/426226827.db2.gz FIXKJJOFUKHGKU-UHFFFAOYSA-N -1 1 311.316 2.647 20 0 DFADMM CC(=O)N(C)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000118302406 426232419 /nfs/dbraw/zinc/23/24/19/426232419.db2.gz DZQMFHIZLBZONG-UHFFFAOYSA-N -1 1 318.398 2.779 20 0 DFADMM Cc1cc(C=CC(=O)Nc2nnn[n-]2)c(C)n1C1CCCCC1 ZINC000118685664 426241498 /nfs/dbraw/zinc/24/14/98/426241498.db2.gz UNPCXTKAAIEJDC-CMDGGOBGSA-N -1 1 314.393 2.775 20 0 DFADMM Cc1cc(C=CC(=O)Nc2nn[n-]n2)c(C)n1C1CCCCC1 ZINC000118685664 426241502 /nfs/dbraw/zinc/24/15/02/426241502.db2.gz UNPCXTKAAIEJDC-CMDGGOBGSA-N -1 1 314.393 2.775 20 0 DFADMM O=C(CC(Cc1ccccc1)Cc1ccccc1)Nc1nnn[n-]1 ZINC000084604822 426241634 /nfs/dbraw/zinc/24/16/34/426241634.db2.gz LGCRWRPNOQNUKP-UHFFFAOYSA-N -1 1 321.384 2.630 20 0 DFADMM O=C(CC(Cc1ccccc1)Cc1ccccc1)Nc1nn[n-]n1 ZINC000084604822 426241637 /nfs/dbraw/zinc/24/16/37/426241637.db2.gz LGCRWRPNOQNUKP-UHFFFAOYSA-N -1 1 321.384 2.630 20 0 DFADMM O=C(Nc1nnn[n-]1)c1ccccc1SCc1cccs1 ZINC000118685715 426241663 /nfs/dbraw/zinc/24/16/63/426241663.db2.gz XRULYTIXBHCREM-UHFFFAOYSA-N -1 1 317.399 2.806 20 0 DFADMM O=C(Nc1nn[n-]n1)c1ccccc1SCc1cccs1 ZINC000118685715 426241667 /nfs/dbraw/zinc/24/16/67/426241667.db2.gz XRULYTIXBHCREM-UHFFFAOYSA-N -1 1 317.399 2.806 20 0 DFADMM CCC[C@@H](NC(=O)c1ccc(O[C@H](C)CC)cc1)c1nn[n-]n1 ZINC000136707955 426245070 /nfs/dbraw/zinc/24/50/70/426245070.db2.gz IRRLWHOPWVTDHA-BXUZGUMPSA-N -1 1 317.393 2.648 20 0 DFADMM O=S(=O)([N-]CCc1ccccc1)c1cc2ccccc2o1 ZINC000084935568 426246905 /nfs/dbraw/zinc/24/69/05/426246905.db2.gz ANIQSXNHYGVJAJ-UHFFFAOYSA-N -1 1 301.367 2.954 20 0 DFADMM Cc1ccccc1-c1cc(NC(=O)c2cncc([O-])c2)n(C)n1 ZINC000174094867 426251689 /nfs/dbraw/zinc/25/16/89/426251689.db2.gz CZNCUFXGHWTAJH-UHFFFAOYSA-N -1 1 308.341 2.748 20 0 DFADMM CCO[C@H](C)c1nc(CN(C)C(=O)c2cncc([O-])c2)cs1 ZINC000174548988 426259461 /nfs/dbraw/zinc/25/94/61/426259461.db2.gz VLSRVEOAXHUMJJ-SNVBAGLBSA-N -1 1 321.402 2.613 20 0 DFADMM O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cncc([O-])c1 ZINC000174531981 426259713 /nfs/dbraw/zinc/25/97/13/426259713.db2.gz GVZIORJJNGZRFV-UHFFFAOYSA-N -1 1 315.760 2.894 20 0 DFADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2sc(C)nc2C)c1 ZINC000339169206 268772325 /nfs/dbraw/zinc/77/23/25/268772325.db2.gz ZTQXNFWYYRPUTL-UHFFFAOYSA-N -1 1 305.359 2.676 20 0 DFADMM CCC(CC)(CC)CNC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000150867306 426265025 /nfs/dbraw/zinc/26/50/25/426265025.db2.gz UOQZXWSBOCYWKH-UHFFFAOYSA-N -1 1 311.451 2.746 20 0 DFADMM O=C([N-]c1nncs1)c1cnc(Cc2ccccc2)s1 ZINC000087070360 426265264 /nfs/dbraw/zinc/26/52/64/426265264.db2.gz FKKJCOUAVXTQMP-UHFFFAOYSA-N -1 1 302.384 2.838 20 0 DFADMM Cn1c([C@H]2CCCN(C(=O)CCC(F)(F)F)C2)n[n-]c1=S ZINC000080076094 426210725 /nfs/dbraw/zinc/21/07/25/426210725.db2.gz KCLHWUNVAXBGNN-QMMMGPOBSA-N -1 1 322.356 2.526 20 0 DFADMM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000175276229 426293505 /nfs/dbraw/zinc/29/35/05/426293505.db2.gz HFWRIPNXSPBZLY-MNOVXSKESA-N -1 1 321.414 2.917 20 0 DFADMM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000175279331 426294056 /nfs/dbraw/zinc/29/40/56/426294056.db2.gz LMYYWBSFMWQVFL-VXGBXAGGSA-N -1 1 321.414 2.917 20 0 DFADMM CCN(CC)c1ccc(CNC(=O)c2c([O-])cccc2F)cn1 ZINC000119832866 426304152 /nfs/dbraw/zinc/30/41/52/426304152.db2.gz HKICECDAAKFSAJ-UHFFFAOYSA-N -1 1 317.364 2.703 20 0 DFADMM C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000121216428 426326124 /nfs/dbraw/zinc/32/61/24/426326124.db2.gz YLWAGZVCCHIVPQ-GUYCJALGSA-N -1 1 312.413 2.958 20 0 DFADMM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000175837773 426331653 /nfs/dbraw/zinc/33/16/53/426331653.db2.gz BCWYIGPUUFIJCU-LZLYRXPVSA-N -1 1 301.386 2.855 20 0 DFADMM CCCc1ccccc1[N-]S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000121289221 426331713 /nfs/dbraw/zinc/33/17/13/426331713.db2.gz HCTRTZJYLLEPRN-UHFFFAOYSA-N -1 1 318.398 2.539 20 0 DFADMM Cc1ccncc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000091051823 426337184 /nfs/dbraw/zinc/33/71/84/426337184.db2.gz OYDZXHPUEKOIRR-UHFFFAOYSA-N -1 1 306.387 2.978 20 0 DFADMM CCCc1cc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)[nH]n1 ZINC000091051848 426337688 /nfs/dbraw/zinc/33/76/88/426337688.db2.gz BETQGSYAYPDFCQ-UHFFFAOYSA-N -1 1 323.418 2.950 20 0 DFADMM COc1ccccc1C[C@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000153692858 426401010 /nfs/dbraw/zinc/40/10/10/426401010.db2.gz XDEFYZODZREZAB-CQSZACIVSA-N -1 1 312.369 2.643 20 0 DFADMM Cc1cc(C(C)(C)C)ccc1OCCCC(=O)Nc1nnn[n-]1 ZINC000152560853 426347150 /nfs/dbraw/zinc/34/71/50/426347150.db2.gz XLIRSNGEPFXSJN-UHFFFAOYSA-N -1 1 317.393 2.603 20 0 DFADMM Cc1cc(C(C)(C)C)ccc1OCCCC(=O)Nc1nn[n-]n1 ZINC000152560853 426347154 /nfs/dbraw/zinc/34/71/54/426347154.db2.gz XLIRSNGEPFXSJN-UHFFFAOYSA-N -1 1 317.393 2.603 20 0 DFADMM C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000092760426 426351206 /nfs/dbraw/zinc/35/12/06/426351206.db2.gz INDQOWDLJSWCST-LLVKDONJSA-N -1 1 303.333 2.940 20 0 DFADMM O=C(Nc1ccccc1N1CCCC1=O)c1cc(F)ccc1[O-] ZINC000093908362 426359628 /nfs/dbraw/zinc/35/96/28/426359628.db2.gz KVEUMSQIRPOYLU-UHFFFAOYSA-N -1 1 314.316 2.910 20 0 DFADMM COCCOc1ccc(F)cc1NC(=O)c1cc(F)ccc1[O-] ZINC000094099156 426361141 /nfs/dbraw/zinc/36/11/41/426361141.db2.gz KHSARZVUJNNNAV-UHFFFAOYSA-N -1 1 323.295 2.948 20 0 DFADMM O=C(NC1CCN(c2cccs2)CC1)c1cc(F)ccc1[O-] ZINC000153413704 426384686 /nfs/dbraw/zinc/38/46/86/426384686.db2.gz TXYUJTILLGQTCP-UHFFFAOYSA-N -1 1 320.389 2.992 20 0 DFADMM CCc1cccc(S(=O)(=O)[N-]c2ccc3nccnc3c2)c1 ZINC000176455723 426384821 /nfs/dbraw/zinc/38/48/21/426384821.db2.gz UFKOZPGZVYNOSR-UHFFFAOYSA-N -1 1 313.382 2.993 20 0 DFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@@H](CC(C)C)C1 ZINC000176524892 426390630 /nfs/dbraw/zinc/39/06/30/426390630.db2.gz FQGSLKQIEMKRBI-ZDUSSCGKSA-N -1 1 319.449 2.884 20 0 DFADMM COC[C@@H]1CCCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000153819425 426408225 /nfs/dbraw/zinc/40/82/25/426408225.db2.gz YFBCRJKCTFPGQX-SNVBAGLBSA-N -1 1 313.781 2.553 20 0 DFADMM CCC[C@H](NC(=O)c1cc(SC)ccc1C)c1nn[n-]n1 ZINC000176752811 426411981 /nfs/dbraw/zinc/41/19/81/426411981.db2.gz KYYHUDZJWSJACH-LBPRGKRZSA-N -1 1 305.407 2.501 20 0 DFADMM CCC[C@@H](NC(=O)c1ccc2[nH]c(C)c(C)c2c1)c1nn[n-]n1 ZINC000176766432 426412622 /nfs/dbraw/zinc/41/26/22/426412622.db2.gz KWDSGRNOWNTHMH-CQSZACIVSA-N -1 1 312.377 2.569 20 0 DFADMM CCC[C@@H](NC(=O)Cc1cccc2ccccc21)c1nn[n-]n1 ZINC000176772897 426413415 /nfs/dbraw/zinc/41/34/15/426413415.db2.gz RGCBUBHQFFMNCE-OAHLLOKOSA-N -1 1 309.373 2.553 20 0 DFADMM CCC[C@H](NC(=O)c1oc2c(cccc2C)c1C)c1nn[n-]n1 ZINC000176785951 426415273 /nfs/dbraw/zinc/41/52/73/426415273.db2.gz DNZSDTBAAWLCSK-LBPRGKRZSA-N -1 1 313.361 2.834 20 0 DFADMM O=C(CN1CCC[C@H](C(F)(F)F)C1)[N-]OCc1ccccc1 ZINC000176885442 426421950 /nfs/dbraw/zinc/42/19/50/426421950.db2.gz HDSXNHMOTSEWSN-ZDUSSCGKSA-N -1 1 316.323 2.509 20 0 DFADMM Cc1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)s1 ZINC000340367974 268973030 /nfs/dbraw/zinc/97/30/30/268973030.db2.gz XVSSCFGTPBCVDB-UHFFFAOYSA-N -1 1 311.310 2.599 20 0 DFADMM COc1ccc(NC(=O)C2=CCCCC2)cc1[N-]S(C)(=O)=O ZINC000154362196 426438380 /nfs/dbraw/zinc/43/83/80/426438380.db2.gz ALVIRPJYXFZCCQ-UHFFFAOYSA-N -1 1 324.402 2.506 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC[C@@H](CC(C)C)C1 ZINC000177098674 426444100 /nfs/dbraw/zinc/44/41/00/426444100.db2.gz LZBBMHZEHUWYHA-LBPRGKRZSA-N -1 1 323.462 2.699 20 0 DFADMM CS(=O)(=O)[N-]c1ccc(Oc2nc3c(cccc3F)o2)cn1 ZINC000340858506 269022908 /nfs/dbraw/zinc/02/29/08/269022908.db2.gz PVBDVVXHFHDLGY-UHFFFAOYSA-N -1 1 323.305 2.526 20 0 DFADMM COCCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000340892640 269028275 /nfs/dbraw/zinc/02/82/75/269028275.db2.gz BQQBRTLYHFBMNC-UHFFFAOYSA-N -1 1 309.790 2.573 20 0 DFADMM COCC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000101577783 426484993 /nfs/dbraw/zinc/48/49/93/426484993.db2.gz SNBHDNJCFOBLML-LURJTMIESA-N -1 1 318.247 2.758 20 0 DFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCCC[C@@H](C)C1 ZINC000186455952 426531505 /nfs/dbraw/zinc/53/15/05/426531505.db2.gz MSZYHBKLWUILEH-LLVKDONJSA-N -1 1 305.422 2.638 20 0 DFADMM CC(=O)N1CCCC[C@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000288933748 426554930 /nfs/dbraw/zinc/55/49/30/426554930.db2.gz AGMQVWNYGMOIQG-LBPRGKRZSA-N -1 1 305.309 2.655 20 0 DFADMM O=C([N-]Cc1ccc(N2CCCCCC2)nc1)C(F)(F)F ZINC000195527123 426536692 /nfs/dbraw/zinc/53/66/92/426536692.db2.gz WZTDBPLTDXZXKT-UHFFFAOYSA-N -1 1 301.312 2.641 20 0 DFADMM O=C(c1ncccc1[O-])N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000194662418 426490175 /nfs/dbraw/zinc/49/01/75/426490175.db2.gz PMMDBPBEJAGTKL-LBPRGKRZSA-N -1 1 323.352 2.948 20 0 DFADMM Cc1cc(Br)c([O-])c(NC(=O)CC(C)(C)O)c1 ZINC000280416755 426569535 /nfs/dbraw/zinc/56/95/35/426569535.db2.gz WWQRQOAZWOBXDV-UHFFFAOYSA-N -1 1 302.168 2.563 20 0 DFADMM C[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1F)c1nccs1 ZINC000186694474 426580730 /nfs/dbraw/zinc/58/07/30/426580730.db2.gz SJBDMOBBZGNHDA-MRVPVSSYSA-N -1 1 318.370 2.503 20 0 DFADMM Cn1ncc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1C1CC1 ZINC000289200677 426601676 /nfs/dbraw/zinc/60/16/76/426601676.db2.gz YFGBVXNPYOVVKS-UHFFFAOYSA-N -1 1 300.293 2.859 20 0 DFADMM CCO[C@H](CCNC(=O)C(=O)c1ccc([O-])cc1)C1CCCC1 ZINC000289194021 426601887 /nfs/dbraw/zinc/60/18/87/426601887.db2.gz LRYHUTAMTOGTBR-MRXNPFEDSA-N -1 1 319.401 2.677 20 0 DFADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)OC)c1 ZINC000187196604 426636016 /nfs/dbraw/zinc/63/60/16/426636016.db2.gz PRNFYPARVFOACI-UHFFFAOYSA-N -1 1 319.382 2.836 20 0 DFADMM Cc1nc(C)c([C@H](C)N(C)C(=O)C(=O)c2ccc([O-])cc2)s1 ZINC000280697112 426637001 /nfs/dbraw/zinc/63/70/01/426637001.db2.gz DYSLAAOTUWHHPA-JTQLQIEISA-N -1 1 318.398 2.868 20 0 DFADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc([S@@](C)=O)cc1 ZINC000187504833 426666782 /nfs/dbraw/zinc/66/67/82/426666782.db2.gz ICYXCNUCJSJLJM-HXUWFJFHSA-N -1 1 323.439 2.787 20 0 DFADMM O=C(C(=O)N(CCC(F)(F)F)CC1CC1)c1ccc([O-])cc1 ZINC000280904437 426682056 /nfs/dbraw/zinc/68/20/56/426682056.db2.gz FDNWDXLZXUMKEU-UHFFFAOYSA-N -1 1 315.291 2.766 20 0 DFADMM CC(C)(C)OC(=O)NCCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000289298496 426622403 /nfs/dbraw/zinc/62/24/03/426622403.db2.gz BDRVGISUFTVVOS-UHFFFAOYSA-N -1 1 321.349 2.737 20 0 DFADMM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000187051393 426624461 /nfs/dbraw/zinc/62/44/61/426624461.db2.gz NQWVMANSVRTJCC-UHFFFAOYSA-N -1 1 317.288 2.913 20 0 DFADMM CC[C@@H](C)NC(=O)[C@@H](C)Sc1nc(C(F)F)cc(=O)[n-]1 ZINC000289310708 426625852 /nfs/dbraw/zinc/62/58/52/426625852.db2.gz CRAWOJGHDCDPBQ-RNFRBKRXSA-N -1 1 305.350 2.515 20 0 DFADMM CCc1cc(=O)[n-]c(SCc2csc([C@H](C)OC)n2)n1 ZINC000188096423 426722103 /nfs/dbraw/zinc/72/21/03/426722103.db2.gz XGBKGVQYGCXRIE-QMMMGPOBSA-N -1 1 311.432 2.789 20 0 DFADMM O=C([O-])CCCCCCCNC(=O)c1n[nH]c2ccccc21 ZINC000238107257 426708271 /nfs/dbraw/zinc/70/82/71/426708271.db2.gz SZIADIBDTSFBCJ-UHFFFAOYSA-N -1 1 303.362 2.718 20 0 DFADMM O=C([O-])[C@H]1CCN([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000178898025 426716531 /nfs/dbraw/zinc/71/65/31/426716531.db2.gz SKYMXIBMOSBNBG-DOTOQJQBSA-N -1 1 324.380 2.773 20 0 DFADMM CCOC(=O)c1cnc(C(C)=Cc2cccc(F)c2)[n-]c1=O ZINC000188023849 426716686 /nfs/dbraw/zinc/71/66/86/426716686.db2.gz UCDVAGJWYXFGOG-JXMROGBWSA-N -1 1 302.305 2.646 20 0 DFADMM O=S(=O)([N-]c1nc(C2CCC2)n[nH]1)c1ccc(Cl)cc1 ZINC000274140179 426716841 /nfs/dbraw/zinc/71/68/41/426716841.db2.gz ACBOPFZMLULZMS-UHFFFAOYSA-N -1 1 312.782 2.526 20 0 DFADMM CC(C)c1ccccc1NC(=O)[C@@H](C)N1CC[C@H](C(=O)[O-])C1 ZINC000178903789 426718096 /nfs/dbraw/zinc/71/80/96/426718096.db2.gz AETWMNNOVFCIAD-OLZOCXBDSA-N -1 1 304.390 2.544 20 0 DFADMM Cn1nc([C@H]2CCCO2)cc1NC(=O)c1c(F)ccc([O-])c1F ZINC000290221219 426719811 /nfs/dbraw/zinc/71/98/11/426719811.db2.gz RPQDWACFCGYAPI-LLVKDONJSA-N -1 1 323.299 2.508 20 0 DFADMM Cc1cc(NC(=O)c2cc(-c3ccco3)n[nH]2)ccc1C(=O)[O-] ZINC000237832217 426696278 /nfs/dbraw/zinc/69/62/78/426696278.db2.gz SXZMVAVFLAWKDN-UHFFFAOYSA-N -1 1 311.297 2.929 20 0 DFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)C1CCCC1 ZINC000179222138 426771479 /nfs/dbraw/zinc/77/14/79/426771479.db2.gz GLSDUYPDYRFAAJ-SNVBAGLBSA-N -1 1 305.422 2.684 20 0 DFADMM Cc1ccc(NC(=O)c2cnc3n(C)[n-]cc-3c2=O)c(Cl)c1 ZINC000179383601 426785696 /nfs/dbraw/zinc/78/56/96/426785696.db2.gz OQIWQQMSJWGKHA-UHFFFAOYSA-N -1 1 316.748 2.888 20 0 DFADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC[C@H]1c1ccccc1)c2=O ZINC000179403243 426786855 /nfs/dbraw/zinc/78/68/55/426786855.db2.gz VOAPMMUXUHKUOG-HNNXBMFYSA-N -1 1 322.368 2.651 20 0 DFADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000281897800 426788403 /nfs/dbraw/zinc/78/84/03/426788403.db2.gz FZGNMTKEAIQOPO-BMFZPTHFSA-N -1 1 307.365 2.687 20 0 DFADMM O=C(C[C@@H]1C(=O)Nc2ccccc21)Nc1nc(Cl)ccc1[O-] ZINC000188361639 426746494 /nfs/dbraw/zinc/74/64/94/426746494.db2.gz ZWVOSDNNLYTXQA-VIFPVBQESA-N -1 1 317.732 2.505 20 0 DFADMM CCOC(C)(C)CNC(=O)c1cc(Br)ccc1[O-] ZINC000188380582 426746756 /nfs/dbraw/zinc/74/67/56/426746756.db2.gz KABDETCSVNJYKJ-UHFFFAOYSA-N -1 1 316.195 2.700 20 0 DFADMM CC(C)c1ccccc1NC(=O)[C@H](C)N1CC[C@@H](C(=O)[O-])C1 ZINC000246159829 426805868 /nfs/dbraw/zinc/80/58/68/426805868.db2.gz AETWMNNOVFCIAD-QWHCGFSZSA-N -1 1 304.390 2.544 20 0 DFADMM CCC1(C)CCN(C(=O)c2c(C)[n-]c(=O)nc2SC)CC1 ZINC000266979274 426806589 /nfs/dbraw/zinc/80/65/89/426806589.db2.gz FEFKZZCLCSPIFZ-UHFFFAOYSA-N -1 1 309.435 2.865 20 0 DFADMM COC(=O)CCCO[N-]C(=O)[C@H](C)c1ccc2ccccc2c1 ZINC000290745048 426830117 /nfs/dbraw/zinc/83/01/17/426830117.db2.gz UDGDBSGOABAJLR-CYBMUJFWSA-N -1 1 315.369 2.944 20 0 DFADMM CC(C)(C)n1ncnc1CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000282232250 426858131 /nfs/dbraw/zinc/85/81/31/426858131.db2.gz PDPWXDIHXBVPPT-UHFFFAOYSA-N -1 1 305.407 2.698 20 0 DFADMM COc1c(C)cc(S(=O)(=O)[N-]c2ncccc2F)cc1C ZINC000180260551 426850073 /nfs/dbraw/zinc/85/00/73/426850073.db2.gz GRQOXCNONRVNMG-UHFFFAOYSA-N -1 1 310.350 2.647 20 0 DFADMM Cc1cc(C)cc(N(C)C(=O)c2cnc3n(C)[n-]cc-3c2=O)c1 ZINC000179442972 426790205 /nfs/dbraw/zinc/79/02/05/426790205.db2.gz UBEIBXIXNNXMOQ-UHFFFAOYSA-N -1 1 310.357 2.567 20 0 DFADMM CCc1cc(=O)[n-]c(SCc2nnc(-c3ccccc3)o2)n1 ZINC000189438315 426856830 /nfs/dbraw/zinc/85/68/30/426856830.db2.gz DITHRGVJHZMWOW-UHFFFAOYSA-N -1 1 314.370 2.675 20 0 DFADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000291581428 426918071 /nfs/dbraw/zinc/91/80/71/426918071.db2.gz CGYNHINVEMWYEX-AOOOYVTPSA-N -1 1 313.275 2.747 20 0 DFADMM C[C@@H](CNC(=O)c1ccc([O-])cc1F)N(C)c1ccccc1 ZINC000181135723 426918495 /nfs/dbraw/zinc/91/84/95/426918495.db2.gz FUIIRXJIEPYHDA-LBPRGKRZSA-N -1 1 302.349 2.786 20 0 DFADMM COC(=O)N(C)c1ccc(NC(=O)c2ccc([O-])cc2F)cc1 ZINC000181175582 426922309 /nfs/dbraw/zinc/92/23/09/426922309.db2.gz WOBIWMRVIKVRNW-UHFFFAOYSA-N -1 1 318.304 2.986 20 0 DFADMM CC[C@@H](C)[C@H](O)CNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180757919 426885837 /nfs/dbraw/zinc/88/58/37/426885837.db2.gz PLSRLKNIILINFI-PRHODGIISA-N -1 1 305.296 2.548 20 0 DFADMM O=C(Nc1nnc2n1CCCC2)c1cc2ccccc2cc1[O-] ZINC000180894802 426896486 /nfs/dbraw/zinc/89/64/86/426896486.db2.gz FRZWXUZZQYJFBC-UHFFFAOYSA-N -1 1 308.341 2.726 20 0 DFADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c(C)n1 ZINC000268052848 426900643 /nfs/dbraw/zinc/90/06/43/426900643.db2.gz QCZLEMIFKPKWLN-LLVKDONJSA-N -1 1 318.398 2.823 20 0 DFADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCSCC1 ZINC000282400816 426900782 /nfs/dbraw/zinc/90/07/82/426900782.db2.gz FGFYCWVCOXNYKU-UHFFFAOYSA-N -1 1 308.790 2.783 20 0 DFADMM CN(CCCNC(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC000181035229 426908715 /nfs/dbraw/zinc/90/87/15/426908715.db2.gz IYSWYFIWSPAWNX-UHFFFAOYSA-N -1 1 302.349 2.788 20 0 DFADMM O=C(Nc1ccc2nncn2c1)c1cc2ccccc2cc1[O-] ZINC000181062419 426912718 /nfs/dbraw/zinc/91/27/18/426912718.db2.gz LCPKLRFSTQIYPB-UHFFFAOYSA-N -1 1 304.309 2.840 20 0 DFADMM COc1ccc(C)cc1CCNC(=O)c1ccc([O-])cc1F ZINC000181064583 426913317 /nfs/dbraw/zinc/91/33/17/426913317.db2.gz VMABQPSJRUISPB-UHFFFAOYSA-N -1 1 303.333 2.821 20 0 DFADMM Cc1ccc2sc(C(=O)N(C)C[C@@H](C)c3nn[n-]n3)cc2c1 ZINC000291688599 426953228 /nfs/dbraw/zinc/95/32/28/426953228.db2.gz NSYQOZIILWRNPZ-SNVBAGLBSA-N -1 1 315.402 2.599 20 0 DFADMM CC(C)(CO)CCNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000295459434 426966988 /nfs/dbraw/zinc/96/69/88/426966988.db2.gz PGMFROPQERULFZ-UHFFFAOYSA-N -1 1 305.296 2.549 20 0 DFADMM Cc1ccc(C)c(NC(=O)CN2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000321426243 426969685 /nfs/dbraw/zinc/96/96/85/426969685.db2.gz LBVUZBLFCCQIQH-HNNXBMFYSA-N -1 1 318.417 2.961 20 0 DFADMM C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000295475796 426974886 /nfs/dbraw/zinc/97/48/86/426974886.db2.gz YKEXLXZIAMYQCQ-PWSUYJOCSA-N -1 1 307.781 2.957 20 0 DFADMM COC(=O)c1ccc(C)c(NC(=O)c2ccc([O-])cc2F)c1 ZINC000181836025 426985118 /nfs/dbraw/zinc/98/51/18/426985118.db2.gz ICJJSDPSIYKWNU-UHFFFAOYSA-N -1 1 303.289 2.879 20 0 DFADMM Cc1ccc(NC(=O)CN2CCC(C)(C(=O)[O-])CC2)cc1Cl ZINC000316396112 426945048 /nfs/dbraw/zinc/94/50/48/426945048.db2.gz LNFNYDODYXCTKK-UHFFFAOYSA-N -1 1 324.808 2.774 20 0 DFADMM CC(C)=CC[N-]S(=O)(=O)c1sccc1Br ZINC000190251039 427055589 /nfs/dbraw/zinc/05/55/89/427055589.db2.gz GVJQGYYULYYBFG-UHFFFAOYSA-N -1 1 310.238 2.755 20 0 DFADMM CCCCc1nc(CN2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])no1 ZINC000248535966 427009963 /nfs/dbraw/zinc/00/99/63/427009963.db2.gz 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/nfs/dbraw/zinc/71/56/34/427715634.db2.gz DJEMZVORIYPYCI-UHFFFAOYSA-N -1 1 316.231 2.512 20 0 DFADMM O=C(N[C@@H]1CC12CCOCC2)c1ccc(C(F)(F)F)cc1[O-] ZINC000333964332 427717004 /nfs/dbraw/zinc/71/70/04/427717004.db2.gz OXGVCGJTYQJVRR-GFCCVEGCSA-N -1 1 315.291 2.710 20 0 DFADMM [O-]c1cccc(CNCc2ncnn2-c2ccccc2)c1Cl ZINC000339382952 427764284 /nfs/dbraw/zinc/76/42/84/427764284.db2.gz ZKTRIZQXICTRFP-UHFFFAOYSA-N -1 1 314.776 2.916 20 0 DFADMM CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)C(=O)c1ccc([O-])cc1 ZINC000334087500 427738388 /nfs/dbraw/zinc/73/83/88/427738388.db2.gz PBDNCIFIRZXWLH-BBRMVZONSA-N -1 1 319.401 2.532 20 0 DFADMM CO[C@@H](C)c1nc(=N[C@@H](C)CN(C)Cc2ccccc2)s[n-]1 ZINC000336703216 427747888 /nfs/dbraw/zinc/74/78/88/427747888.db2.gz GHIVSAIYKSAJTQ-STQMWFEESA-N -1 1 320.462 2.600 20 0 DFADMM COCC[C@@H](C)Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301424768 427795552 /nfs/dbraw/zinc/79/55/52/427795552.db2.gz TVLXRMFJJQWXDU-SNVBAGLBSA-N -1 1 302.378 2.698 20 0 DFADMM 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/nfs/dbraw/zinc/95/82/82/427958282.db2.gz TWWLAVBSQMPQHH-JTQLQIEISA-N -1 1 314.320 2.783 20 0 DFADMM C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000340223198 427959687 /nfs/dbraw/zinc/95/96/87/427959687.db2.gz TZYQRXGKAXQFPV-PSASIEDQSA-N -1 1 307.337 2.961 20 0 DFADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCc1nc(C2CC2)no1 ZINC000345967686 427968143 /nfs/dbraw/zinc/96/81/43/427968143.db2.gz GWJSUBGQGUUDAD-UHFFFAOYSA-N -1 1 323.356 2.598 20 0 DFADMM O=c1[nH]nc(-c2nc(-c3ccc([O-])c(F)c3)no2)c2ccccc12 ZINC000350830150 427978348 /nfs/dbraw/zinc/97/83/48/427978348.db2.gz AKBZRRGQDQIGNY-UHFFFAOYSA-N -1 1 324.271 2.897 20 0 DFADMM O=C(N[C@H]1CC[C@H](c2ccccc2F)C1)c1cncc([O-])c1 ZINC000369531531 427988389 /nfs/dbraw/zinc/98/83/89/427988389.db2.gz LFNZZIUADIBFSC-AAEUAGOBSA-N -1 1 300.333 2.992 20 0 DFADMM Cn1cc(-c2ncc(C(=O)Nc3ccc(F)cc3[O-])s2)cn1 ZINC000340327395 427990029 /nfs/dbraw/zinc/99/00/29/427990029.db2.gz KFNACABYIMGSQJ-UHFFFAOYSA-N -1 1 318.333 2.641 20 0 DFADMM CC(=O)N(C)CCc1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000350563961 427946585 /nfs/dbraw/zinc/94/65/85/427946585.db2.gz DJEYWLWHBFZWRH-UHFFFAOYSA-N -1 1 311.341 2.616 20 0 DFADMM CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000340910399 427948863 /nfs/dbraw/zinc/94/88/63/427948863.db2.gz BKIDMKDJGFQLSO-PRHODGIISA-N -1 1 307.337 2.961 20 0 DFADMM C[C@@H]1COCC[C@H]1c1noc(-c2cc(-c3ccco3)n[nH]2)n1 ZINC000350594818 427954222 /nfs/dbraw/zinc/95/42/22/427954222.db2.gz MHZXYMVPNCQHFL-NXEZZACHSA-N -1 1 300.318 2.860 20 0 DFADMM CCOc1ccc(CNC(=O)c2cncc([O-])c2)cc1Cl ZINC000356152817 428044352 /nfs/dbraw/zinc/04/43/52/428044352.db2.gz LAQBCHKORLLTGZ-UHFFFAOYSA-N -1 1 306.749 2.769 20 0 DFADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCCC[C@H](CO)C1 ZINC000376857245 428012451 /nfs/dbraw/zinc/01/24/51/428012451.db2.gz QPXZSPRBGCANAV-JTQLQIEISA-N -1 1 317.307 2.646 20 0 DFADMM COC(C)(C)CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000369617019 428015392 /nfs/dbraw/zinc/01/53/92/428015392.db2.gz XRKJAGYUVXIIBZ-UHFFFAOYSA-N -1 1 319.401 2.629 20 0 DFADMM COC(=O)c1cccc2nc(NC(=O)[C@H]3CC=CC[C@H]3C)[nH]c21 ZINC000341484198 428084240 /nfs/dbraw/zinc/08/42/40/428084240.db2.gz PFJKFZODXUAUQU-MNOVXSKESA-N -1 1 313.357 2.890 20 0 DFADMM CC(=O)N(c1ccc(NC(=O)c2cncc([O-])c2)cc1)C1CC1 ZINC000359985018 428106088 /nfs/dbraw/zinc/10/60/88/428106088.db2.gz KTCLNMJYBIJWJU-UHFFFAOYSA-N -1 1 311.341 2.555 20 0 DFADMM COc1ccc(C)cc1CCNC(=O)c1c(F)ccc([O-])c1F ZINC000356314566 428121360 /nfs/dbraw/zinc/12/13/60/428121360.db2.gz SSSZBOVRYUNVKQ-UHFFFAOYSA-N -1 1 321.323 2.960 20 0 DFADMM COc1ccc(S(=O)(=O)[N-][C@H](C)C(F)(F)F)c(Cl)c1 ZINC000341633976 428135582 /nfs/dbraw/zinc/13/55/82/428135582.db2.gz AMKKEPIAYRMSFB-ZCFIWIBFSA-N -1 1 317.716 2.578 20 0 DFADMM C[C@@]1(c2ccc(F)cc2)CCN(C(=O)c2ncccc2[O-])C1 ZINC000370112028 428137798 /nfs/dbraw/zinc/13/77/98/428137798.db2.gz NERLPLYVGOQHEP-QGZVFWFLSA-N -1 1 300.333 2.730 20 0 DFADMM CCCc1nc(=NCc2ccc(CN(C)C)c(F)c2)s[n-]1 ZINC000360068535 428143065 /nfs/dbraw/zinc/14/30/65/428143065.db2.gz AIJQIUYKDULJPJ-UHFFFAOYSA-N -1 1 308.426 2.725 20 0 DFADMM CCCc1nc(=N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)s[n-]1 ZINC000360076684 428149097 /nfs/dbraw/zinc/14/90/97/428149097.db2.gz XTMLGODYTVFREA-HIFRSBDPSA-N -1 1 316.474 2.987 20 0 DFADMM COC(=O)[C@H](CC1CC1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000413909181 428165528 /nfs/dbraw/zinc/16/55/28/428165528.db2.gz DQPUCBSKRGDVAL-HNNXBMFYSA-N -1 1 313.353 2.617 20 0 DFADMM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cncc([O-])c1 ZINC000346427477 428168343 /nfs/dbraw/zinc/16/83/43/428168343.db2.gz GJTQSPPQVWDCTA-QLJPJBMISA-N -1 1 300.333 2.980 20 0 DFADMM Cc1ccc2c([O-])c(C(=O)NCCC3(F)CCC3)cnc2n1 ZINC000360224760 428209920 /nfs/dbraw/zinc/20/99/20/428209920.db2.gz GKQOCGMKNWDGTL-UHFFFAOYSA-N -1 1 303.337 2.656 20 0 DFADMM Cc1ccc2c(=O)c(C(=O)NCCC3(F)CCC3)c[n-]c2n1 ZINC000360224760 428209926 /nfs/dbraw/zinc/20/99/26/428209926.db2.gz GKQOCGMKNWDGTL-UHFFFAOYSA-N -1 1 303.337 2.656 20 0 DFADMM Cc1ccc(S(=O)(=O)[N-]CC(F)(F)c2ccccc2)o1 ZINC000352727906 428221303 /nfs/dbraw/zinc/22/13/03/428221303.db2.gz SSEMSXGFEKCACG-UHFFFAOYSA-N -1 1 301.314 2.658 20 0 DFADMM COc1ccc(S(=O)(=O)[N-]c2cc3n[nH]cc3c(C)c2)cc1 ZINC000346487519 428192266 /nfs/dbraw/zinc/19/22/66/428192266.db2.gz QMBWHYDXAKPEAC-UHFFFAOYSA-N -1 1 317.370 2.681 20 0 DFADMM CCN(CC)[C@@H](CN=c1nc(C)[n-]s1)c1cccc(OC)c1 ZINC000356484165 428199647 /nfs/dbraw/zinc/19/96/47/428199647.db2.gz NWOQJHYMOWVKEE-HNNXBMFYSA-N -1 1 320.462 2.772 20 0 DFADMM CC(C)Oc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)nn1 ZINC000346672016 428266207 /nfs/dbraw/zinc/26/62/07/428266207.db2.gz SMYJNFCJYJBNNN-UHFFFAOYSA-N -1 1 322.752 3.267 20 0 DFADMM C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000360360881 428267658 /nfs/dbraw/zinc/26/76/58/428267658.db2.gz KNUDSQJCPIRAEB-RKDXNWHRSA-N -1 1 307.337 2.818 20 0 DFADMM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C)c2)c(F)c1 ZINC000356732093 428288713 /nfs/dbraw/zinc/28/87/13/428288713.db2.gz JJTRNIMBTCNDGC-UHFFFAOYSA-N -1 1 323.345 2.942 20 0 DFADMM COCC[C@@H]1CCCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000377841054 428242950 /nfs/dbraw/zinc/24/29/50/428242950.db2.gz YDVWHEHRUWOHLW-NSHDSACASA-N -1 1 313.344 2.949 20 0 DFADMM O=C(N[C@H]1CCc2ccccc2OC1)c1c(F)ccc([O-])c1F ZINC000377847840 428244122 /nfs/dbraw/zinc/24/41/22/428244122.db2.gz QRZSCENBOJLERH-NSHDSACASA-N -1 1 319.307 2.794 20 0 DFADMM O=S(=O)([N-]Cc1cccc2cc[nH]c21)c1cc(F)ccc1F ZINC000342115398 428305795 /nfs/dbraw/zinc/30/57/95/428305795.db2.gz SHWOMWMNVKSQNM-UHFFFAOYSA-N -1 1 322.336 2.925 20 0 DFADMM CC(C)c1nc(=N[C@H](C)CCc2ccc3c(c2)OCO3)o[n-]1 ZINC000346877112 428355997 /nfs/dbraw/zinc/35/59/97/428355997.db2.gz SKEQYDIXHDTCGE-LLVKDONJSA-N -1 1 303.362 2.777 20 0 DFADMM COc1ccc([C@@H](C)NC(=O)c2ncccc2[O-])c(C)c1OC ZINC000360563609 428349535 /nfs/dbraw/zinc/34/95/35/428349535.db2.gz VGMMFEXNINWSLM-LLVKDONJSA-N -1 1 316.357 2.604 20 0 DFADMM C[C@@H]1C[C@@H](CC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)CC(C)(C)C1 ZINC000378289994 428355037 /nfs/dbraw/zinc/35/50/37/428355037.db2.gz GEMCZFCCFNFNEC-HZSPNIEDSA-N -1 1 319.453 2.758 20 0 DFADMM Cc1cccc(Cl)c1S(=O)(=O)[N-][C@H](C)C(F)(F)F ZINC000414457559 428304089 /nfs/dbraw/zinc/30/40/89/428304089.db2.gz WLFJOLGMIASZAO-SSDOTTSWSA-N -1 1 301.717 2.878 20 0 DFADMM CCOC(=O)[C@@H](CN=c1nc(C2CC2)[n-]s1)c1ccccc1 ZINC000356779466 428304741 /nfs/dbraw/zinc/30/47/41/428304741.db2.gz MXKJXMHXNYHKOW-ZDUSSCGKSA-N -1 1 317.414 2.596 20 0 DFADMM CN(C(=O)c1ccc(Cl)cc1[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000371770365 428401988 /nfs/dbraw/zinc/40/19/88/428401988.db2.gz TWHMTTDBILDJKF-MRVWCRGKSA-N -1 1 309.793 2.931 20 0 DFADMM CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1cccc(C(=O)[O-])c1 ZINC000414642331 428364120 /nfs/dbraw/zinc/36/41/20/428364120.db2.gz VNVHHMOYMIOGAV-IAGOWNOFSA-N -1 1 318.417 2.606 20 0 DFADMM COC(=O)c1cccc2nc(NC(=O)[C@@H]3C[C@@]3(C)C(C)C)[nH]c21 ZINC000360635176 428375819 /nfs/dbraw/zinc/37/58/19/428375819.db2.gz JUWBLTXYJKHYKH-GTNSWQLSSA-N -1 1 315.373 2.970 20 0 DFADMM CCCC[C@H](COC)NC(=O)c1c[n-]c2[nH+]c(C)ccc2c1=O ZINC000347124571 428456334 /nfs/dbraw/zinc/45/63/34/428456334.db2.gz OZSQWVODUBSTEM-GFCCVEGCSA-N -1 1 317.389 2.579 20 0 DFADMM CCCC[C@H](COC)NC(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000347124571 428456339 /nfs/dbraw/zinc/45/63/39/428456339.db2.gz OZSQWVODUBSTEM-GFCCVEGCSA-N -1 1 317.389 2.579 20 0 DFADMM CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1ncccc1[O-] ZINC000347132125 428461707 /nfs/dbraw/zinc/46/17/07/428461707.db2.gz YXSKKTPIPGJYDZ-BONVTDFDSA-N -1 1 320.776 2.947 20 0 DFADMM O=C(c1nc[n-]c1-c1nc([C@@H]2CCCOC2)no1)c1ccccc1 ZINC000347135971 428463458 /nfs/dbraw/zinc/46/34/58/428463458.db2.gz FGFCEUKUBSPLKC-GFCCVEGCSA-N -1 1 324.340 2.585 20 0 DFADMM CC(C)O[C@@H]1C[C@H](N=c2nc(C(F)(F)F)[n-]s2)C1(C)C ZINC000342836709 428467010 /nfs/dbraw/zinc/46/70/10/428467010.db2.gz BDFIFQVBMGHLSV-JGVFFNPUSA-N -1 1 309.357 2.983 20 0 DFADMM C[C@H]1C[C@@H]1c1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)o1 ZINC000372142944 428419904 /nfs/dbraw/zinc/41/99/04/428419904.db2.gz 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ZINC000426513896 429396859 /nfs/dbraw/zinc/39/68/59/429396859.db2.gz AGRYCCOSGFIMGG-LBPRGKRZSA-N -1 1 306.749 2.558 20 0 DFADMM Cc1cc(NC(=O)c2c(F)ccc([O-])c2F)nn1[C@@H](C)C1CC1 ZINC000518009215 429406335 /nfs/dbraw/zinc/40/63/35/429406335.db2.gz BNFORWJBFZEUIV-VIFPVBQESA-N -1 1 321.327 3.399 20 0 DFADMM O=C(Nc1ccc([O-])c(F)c1F)c1ccc(NCC2CC2)nc1 ZINC000456774637 429348271 /nfs/dbraw/zinc/34/82/71/429348271.db2.gz CNBXBXCVMAIQOP-UHFFFAOYSA-N -1 1 319.311 3.140 20 0 DFADMM CC(=O)[C@@H]([N-]S(=O)(=O)CCC(C)(C)C)c1ccccc1F ZINC000514589655 429364368 /nfs/dbraw/zinc/36/43/68/429364368.db2.gz PMEZYSHBABARHY-CQSZACIVSA-N -1 1 315.410 2.811 20 0 DFADMM C[C@@H]1CN(C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)[C@H]1c1ccccc1 ZINC000365774278 429369760 /nfs/dbraw/zinc/36/97/60/429369760.db2.gz DLDUJWXNMASSGQ-PSMSEJFRSA-N -1 1 321.384 2.567 20 0 DFADMM C[C@H]1CCc2onc(C(=O)[N-]c3nnc(C(C)(C)C)s3)c2C1 ZINC000515280553 429376711 /nfs/dbraw/zinc/37/67/11/429376711.db2.gz MDKABWFVKOCFFG-QMMMGPOBSA-N -1 1 320.418 3.201 20 0 DFADMM CC(=O)c1ccsc1[N-]S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000427352250 429445410 /nfs/dbraw/zinc/44/54/10/429445410.db2.gz MPILJHMZMLRWOX-AOOOYVTPSA-N -1 1 316.448 2.585 20 0 DFADMM Cc1cnc(SCC(=O)N(C)[C@@H]2CCCC[C@H]2C)[n-]c1=O ZINC000519183269 429451040 /nfs/dbraw/zinc/45/10/40/429451040.db2.gz NARBPPSSWVXRAN-ZYHUDNBSSA-N -1 1 309.435 2.620 20 0 DFADMM Cc1cnc(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)c([O-])c1 ZINC000427813570 429471195 /nfs/dbraw/zinc/47/11/95/429471195.db2.gz UCBAHQRCPOPJRS-UWVGGRQHSA-N -1 1 302.296 2.899 20 0 DFADMM COc1cccc(CN[C@H](C(=O)[O-])c2cccc(F)c2)c1OC ZINC000426829646 429419538 /nfs/dbraw/zinc/41/95/38/429419538.db2.gz QOYRDKPCUKCSGG-HNNXBMFYSA-N -1 1 319.332 2.758 20 0 DFADMM Cc1ncccc1CN[C@@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000426827459 429420252 /nfs/dbraw/zinc/42/02/52/429420252.db2.gz RYJAUGGKKYBKOQ-HNNXBMFYSA-N -1 1 306.312 2.974 20 0 DFADMM CSCc1cc(F)ccc1CNC(=O)c1ncccc1[O-] ZINC000427144161 429435251 /nfs/dbraw/zinc/43/52/51/429435251.db2.gz MLDZISDIWDRFPZ-UHFFFAOYSA-N -1 1 306.362 2.719 20 0 DFADMM COC(=O)c1ccc([O-])c(NC(=O)c2[nH]ccc2C2CC2)c1 ZINC000457779823 429526820 /nfs/dbraw/zinc/52/68/20/429526820.db2.gz ROULMFSTGKSRMK-UHFFFAOYSA-N -1 1 300.314 2.637 20 0 DFADMM Cc1cnc(C(=O)N(Cc2ccccc2)CC(C)(C)O)c([O-])c1 ZINC000428018438 429484371 /nfs/dbraw/zinc/48/43/71/429484371.db2.gz UUJKIHWEDQJXIA-UHFFFAOYSA-N -1 1 314.385 2.509 20 0 DFADMM CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1[nH]cnc1C(=O)OC ZINC000520248184 429506754 /nfs/dbraw/zinc/50/67/54/429506754.db2.gz SAURDSTWZKRFCW-QWHCGFSZSA-N -1 1 313.357 2.501 20 0 DFADMM COC(=O)c1ccc(Cl)c(CN([C@H](C)C(=O)[O-])C2CC2)c1 ZINC000520819585 429530929 /nfs/dbraw/zinc/53/09/29/429530929.db2.gz GEZIJSDGZUQQCN-SECBINFHSA-N -1 1 311.765 2.564 20 0 DFADMM Cc1ccc(F)cc1NC(=O)[C@H](C)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000520580860 429521675 /nfs/dbraw/zinc/52/16/75/429521675.db2.gz QYQQUEKGZXLZKD-OSMZGAPFSA-N -1 1 322.380 2.504 20 0 DFADMM CC(C)(C)/C=C\C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000492598927 429575303 /nfs/dbraw/zinc/57/53/03/429575303.db2.gz WCQUDAJJCZECIZ-DAXSKMNVSA-N -1 1 320.355 2.506 20 0 DFADMM C[C@H](CN(C)C(=O)C=Cc1cccc2ccccc12)c1nn[n-]n1 ZINC000492471938 429545383 /nfs/dbraw/zinc/54/53/83/429545383.db2.gz KDMCNDMKKQFXPK-BSYHEUMXSA-N -1 1 321.384 2.628 20 0 DFADMM CC(C)c1nnc([N-][C@@H](c2ccn(C)n2)c2ccc(F)cc2)o1 ZINC000450425201 429624074 /nfs/dbraw/zinc/62/40/74/429624074.db2.gz SKQCNPRKOGVAKR-CQSZACIVSA-N -1 1 315.352 3.267 20 0 DFADMM COC(=O)c1ccc([O-])c(NC(=O)/C=C\c2ccc(C)cn2)c1 ZINC000492859318 429630959 /nfs/dbraw/zinc/63/09/59/429630959.db2.gz MQTDFKCMJZBIQQ-VURMDHGXSA-N -1 1 312.325 2.534 20 0 DFADMM Cn1[n-]cc2c(=NC(=O)/C=C\c3ccc(Cl)cc3)ccnc1-2 ZINC000492766381 429610811 /nfs/dbraw/zinc/61/08/11/429610811.db2.gz MFKRGBTVCCRHLX-MKCPRWRPSA-N -1 1 312.760 2.647 20 0 DFADMM CCC[C@H](N[C@@H](C)C(=O)Nc1ccccc1C(C)C)C(=O)[O-] ZINC000185063339 276044924 /nfs/dbraw/zinc/04/49/24/276044924.db2.gz OZJGKAXSAHRSFD-WFASDCNBSA-N -1 1 306.406 2.980 20 0 DFADMM C[C@@H]1CC[C@](C)(/C=C\C(=O)NC(C)(C)c2nn[n-]n2)C1(C)C ZINC000493315269 429735593 /nfs/dbraw/zinc/73/55/93/429735593.db2.gz FJJVNUKUOWYLHO-CGJOSEIBSA-N -1 1 305.426 2.570 20 0 DFADMM Cc1nnc(-c2ccccc2[N-]S(=O)(=O)CCCCF)o1 ZINC000450982832 429743473 /nfs/dbraw/zinc/74/34/73/429743473.db2.gz NELKPEDQLURQNJ-UHFFFAOYSA-N -1 1 313.354 2.536 20 0 DFADMM CCOCCCC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451087051 429766233 /nfs/dbraw/zinc/76/62/33/429766233.db2.gz NUQZGWCZJCUHSE-UHFFFAOYSA-N -1 1 315.366 2.667 20 0 DFADMM CO[C@@H]1CCCN(C(=O)c2c([O-])cnc3ccccc32)CC1 ZINC000368248676 429816417 /nfs/dbraw/zinc/81/64/17/429816417.db2.gz FQZKTXLRTDZQHM-GFCCVEGCSA-N -1 1 300.358 2.582 20 0 DFADMM CC[C@@H]([N-]S(=O)(=O)c1sccc1Cl)[C@@H]1CCCO1 ZINC000451338185 429813042 /nfs/dbraw/zinc/81/30/42/429813042.db2.gz HJIRZUJXEDIJGY-ZJUUUORDSA-N -1 1 309.840 2.637 20 0 DFADMM O=C(NCc1ccccc1-c1ccncc1)c1ncccc1[O-] ZINC000369221701 429920647 /nfs/dbraw/zinc/92/06/47/429920647.db2.gz XWKYVYFQBOZPGY-UHFFFAOYSA-N -1 1 305.337 2.779 20 0 DFADMM COc1ccnc(CN2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1 ZINC000573507485 429958608 /nfs/dbraw/zinc/95/86/08/429958608.db2.gz ZYZSONYQYPBYFN-YOEHRIQHSA-N -1 1 318.417 2.946 20 0 DFADMM CCc1c(-c2cccc(OC)c2)[n-]n(-c2cc(C)ncn2)c1=O ZINC000634600913 430049142 /nfs/dbraw/zinc/04/91/42/430049142.db2.gz WUELUMPDGOQVBP-AWEZNQCLSA-N -1 1 310.357 2.571 20 0 DFADMM O=C([N-]c1nnc(CC(F)(F)F)s1)c1cnc(C2CC2)o1 ZINC000639979653 430041871 /nfs/dbraw/zinc/04/18/71/430041871.db2.gz FELJDKANYXKVOT-UHFFFAOYSA-N -1 1 318.280 2.761 20 0 DFADMM CCc1c(-c2cccc(C)c2)[n-]n(-c2nccc(OC)n2)c1=O ZINC000634589783 430046130 /nfs/dbraw/zinc/04/61/30/430046130.db2.gz IHZBXTYMXMDIGC-CYBMUJFWSA-N -1 1 310.357 2.571 20 0 DFADMM C[C@@]1(Br)C[C@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000529466358 430009553 /nfs/dbraw/zinc/00/95/53/430009553.db2.gz PEHUJLUFFRSRMD-ULHQUTTKSA-N -1 1 306.106 2.782 20 0 DFADMM C[C@]1(Br)C[C@@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000529466357 430009980 /nfs/dbraw/zinc/00/99/80/430009980.db2.gz PEHUJLUFFRSRMD-GCXOYZPQSA-N -1 1 306.106 2.782 20 0 DFADMM O=C([O-])CN(C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)C1CC1 ZINC000559585282 430010064 /nfs/dbraw/zinc/01/00/64/430010064.db2.gz FWFQFDHWGMFRPR-UHFFFAOYSA-N -1 1 324.287 2.581 20 0 DFADMM C[C@H]1CC([N-]S(=O)(=O)c2cc(Cl)ccc2F)C[C@H](C)O1 ZINC000560036541 430019947 /nfs/dbraw/zinc/01/99/47/430019947.db2.gz VEKFQQMUOIJXOO-IUCAKERBSA-N -1 1 321.801 2.713 20 0 DFADMM CCNC(=O)c1cccc(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000561392336 430088980 /nfs/dbraw/zinc/08/89/80/430088980.db2.gz FDFLWKRGNLUAFU-UHFFFAOYSA-N -1 1 320.295 2.672 20 0 DFADMM Cc1ccc(O)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000530144836 430099541 /nfs/dbraw/zinc/09/95/41/430099541.db2.gz MINSOSPDIWGRES-UHFFFAOYSA-N -1 1 303.383 2.990 20 0 DFADMM CN(C)c1cccc(CN2CCc3occc3[C@H]2C(=O)[O-])c1 ZINC000530163288 430099708 /nfs/dbraw/zinc/09/97/08/430099708.db2.gz AAQDUHACAHDWFX-INIZCTEOSA-N -1 1 300.358 2.530 20 0 DFADMM C[C@H](CN(C)Cc1ccc(Br)c(F)c1F)C(=O)[O-] ZINC000530212443 430103471 /nfs/dbraw/zinc/10/34/71/430103471.db2.gz TYRSOLJWHDUMFR-SSDOTTSWSA-N -1 1 322.149 2.880 20 0 DFADMM COC1(CS(=O)(=O)[N-]c2ccccc2SC)CCC1 ZINC000634784741 430111707 /nfs/dbraw/zinc/11/17/07/430111707.db2.gz CFHRTBUZSZZZPH-UHFFFAOYSA-N -1 1 301.433 2.719 20 0 DFADMM COC1(CS(=O)(=O)[N-]c2cc(Cl)ccc2F)CCC1 ZINC000634785363 430112579 /nfs/dbraw/zinc/11/25/79/430112579.db2.gz HQKLOQBCDAJBIX-UHFFFAOYSA-N -1 1 307.774 2.790 20 0 DFADMM CCc1c(-c2ccccc2)[n-]n(-c2nc(C)cc(OC)n2)c1=O ZINC000634607741 430051110 /nfs/dbraw/zinc/05/11/10/430051110.db2.gz GTOHZFQXPCWWHR-CYBMUJFWSA-N -1 1 310.357 2.571 20 0 DFADMM O=C(N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)c1cncc([O-])c1 ZINC000529684946 430051236 /nfs/dbraw/zinc/05/12/36/430051236.db2.gz MFGVTRUXQPAHTI-QLFBSQMISA-N -1 1 300.745 2.509 20 0 DFADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)cn1 ZINC000634656577 430066529 /nfs/dbraw/zinc/06/65/29/430066529.db2.gz ULFLWTREFHZFEH-UHFFFAOYSA-N -1 1 324.406 2.516 20 0 DFADMM COc1cccc(Cl)c1[N-]S(=O)(=O)C[C@H](OC)C1CC1 ZINC000634664116 430069244 /nfs/dbraw/zinc/06/92/44/430069244.db2.gz OPIRETGEQHNGMC-LBPRGKRZSA-N -1 1 319.810 2.515 20 0 DFADMM COc1cccc(Cl)c1[N-]S(=O)(=O)C[C@H](OC)C(C)C ZINC000634664020 430069700 /nfs/dbraw/zinc/06/97/00/430069700.db2.gz KEMHQSPSYWTBKQ-LBPRGKRZSA-N -1 1 321.826 2.761 20 0 DFADMM O=C([O-])C12CCC(CC1)N2Cc1nnc(-c2ccccc2)s1 ZINC000634696858 430083488 /nfs/dbraw/zinc/08/34/88/430083488.db2.gz QCIXNDLTVOVNMI-UHFFFAOYSA-N -1 1 315.398 2.787 20 0 DFADMM CC1(C)CC(=O)c2cccc([N-]S(=O)(=O)CCC3CC3)c2O1 ZINC000634796278 430115969 /nfs/dbraw/zinc/11/59/69/430115969.db2.gz KDYRUROYMNHXPA-UHFFFAOYSA-N -1 1 323.414 2.972 20 0 DFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CC12CCCC2 ZINC000562386710 430126893 /nfs/dbraw/zinc/12/68/93/430126893.db2.gz ZQCWTRCXCIJCKC-LLVKDONJSA-N -1 1 303.406 2.851 20 0 DFADMM CCOC(=O)c1nc(C)[nH]c1NC(=O)c1cc(C)c(F)cc1F ZINC000531374959 430140111 /nfs/dbraw/zinc/14/01/11/430140111.db2.gz NSNXYFMOJZNUSB-UHFFFAOYSA-N -1 1 323.299 2.734 20 0 DFADMM O=C([O-])c1coc(CN2CC[C@H](Cc3ccc(F)cc3)C2)n1 ZINC000580652431 430141962 /nfs/dbraw/zinc/14/19/62/430141962.db2.gz FOFPYZHAPCYPOD-GFCCVEGCSA-N -1 1 304.321 2.577 20 0 DFADMM Cc1ccc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c2ccccc12 ZINC000581178594 430184553 /nfs/dbraw/zinc/18/45/53/430184553.db2.gz ZPAMUOMPVBQBBV-GFCCVEGCSA-N -1 1 309.373 2.537 20 0 DFADMM COC(=O)Cc1ccc(-c2nc3ccccc3c(=O)[n-]2)cc1C ZINC000542009274 430200104 /nfs/dbraw/zinc/20/01/04/430200104.db2.gz PMDYMDKPRFTSEW-UHFFFAOYSA-N -1 1 308.337 2.614 20 0 DFADMM CC(C)[C@H](NC(=O)CCCc1nn[n-]n1)c1ccc(Cl)cc1 ZINC000635171766 430223358 /nfs/dbraw/zinc/22/33/58/430223358.db2.gz SBVPLZPCYVHGBE-HNNXBMFYSA-N -1 1 321.812 2.689 20 0 DFADMM Cc1cnc(SCC(=O)Nc2cc(C(C)(C)C)no2)[n-]c1=O ZINC000581499655 430216771 /nfs/dbraw/zinc/21/67/71/430216771.db2.gz NTJXIUWWRCPOPN-UHFFFAOYSA-N -1 1 322.390 2.507 20 0 DFADMM CCCCO[C@H]1C[C@@H](N(C)Cc2cc(C(=O)[O-])nn2C)C1(C)C ZINC000635303210 430248306 /nfs/dbraw/zinc/24/83/06/430248306.db2.gz JDPFCIXEERDEMV-CABCVRRESA-N -1 1 323.437 2.534 20 0 DFADMM Cc1ccccc1C1CCN(Cc2cc(C(=O)[O-])nn2C)CC1 ZINC000635302139 430248335 /nfs/dbraw/zinc/24/83/35/430248335.db2.gz XDVPNNQULKCKAO-UHFFFAOYSA-N -1 1 313.401 2.806 20 0 DFADMM Cn1nc(C(=O)[O-])cc1CNC1(c2ccc(Cl)cc2)CC1 ZINC000635304850 430250029 /nfs/dbraw/zinc/25/00/29/430250029.db2.gz BZUIRFMQLYPSCI-UHFFFAOYSA-N -1 1 305.765 2.551 20 0 DFADMM C[C@H](NCc1cc(C(=O)[O-])nn1C)c1ccc(F)c(Cl)c1 ZINC000635306095 430250251 /nfs/dbraw/zinc/25/02/51/430250251.db2.gz OVDBISKNACBTFH-QMMMGPOBSA-N -1 1 311.744 2.762 20 0 DFADMM Cn1nc(C(=O)[O-])cc1CN1CCC[C@H]1/C=C\c1ccccc1 ZINC000635309170 430251056 /nfs/dbraw/zinc/25/10/56/430251056.db2.gz UFNAROOOZBPDTG-KVPUOBJLSA-N -1 1 311.385 2.796 20 0 DFADMM CC(C)C[C@@H]1CCCCN1C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287805156 277447768 /nfs/dbraw/zinc/44/77/68/277447768.db2.gz YBIROGUFPWLUBG-NSPLTWOJSA-N -1 1 315.421 2.774 20 0 DFADMM CC[C@@H](C(=O)NCc1cc(=O)[n-]c(SC)n1)c1ccccc1 ZINC000640658681 430228109 /nfs/dbraw/zinc/22/81/09/430228109.db2.gz QQDYSXUBMWQPMQ-CYBMUJFWSA-N -1 1 317.414 2.714 20 0 DFADMM CCCc1ccc(C(=O)NCc2cc(=O)[n-]c(SC)n2)cc1 ZINC000640658540 430228740 /nfs/dbraw/zinc/22/87/40/430228740.db2.gz PEVKRWNJBXQNFM-UHFFFAOYSA-N -1 1 317.414 2.787 20 0 DFADMM O=C(CCCc1nn[n-]n1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000635223022 430232107 /nfs/dbraw/zinc/23/21/07/430232107.db2.gz MQRKMKXELILKTJ-ZDUSSCGKSA-N -1 1 319.796 2.540 20 0 DFADMM C[C@@H](c1ccccc1F)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000582365605 430294680 /nfs/dbraw/zinc/29/46/80/430294680.db2.gz CHSFDLOXEPVYBN-RYUDHWBXSA-N -1 1 318.352 2.514 20 0 DFADMM C[C@H](c1ccccc1F)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000582365606 430294744 /nfs/dbraw/zinc/29/47/44/430294744.db2.gz CHSFDLOXEPVYBN-VXGBXAGGSA-N -1 1 318.352 2.514 20 0 DFADMM Cc1cccc([C@@H]2CCCN2C(=O)CCCc2nn[n-]n2)c1C ZINC000635602152 430320569 /nfs/dbraw/zinc/32/05/69/430320569.db2.gz HKNYWCJKWZWIPX-HNNXBMFYSA-N -1 1 313.405 2.503 20 0 DFADMM Cc1ccc([C@H]2CCN(C(=O)c3cccc4nn[nH]c43)C2)cc1 ZINC000582704433 430324742 /nfs/dbraw/zinc/32/47/42/430324742.db2.gz YRWTUJYFOZGSJF-AWEZNQCLSA-N -1 1 306.369 2.896 20 0 DFADMM O=C([O-])[C@H](c1ccccc1C(F)(F)F)N1CCCOCC1 ZINC000582730807 430327910 /nfs/dbraw/zinc/32/79/10/430327910.db2.gz UDHOPSSWFBCKHG-LBPRGKRZSA-N -1 1 303.280 2.553 20 0 DFADMM CC(C)CCOc1ccc(NC(=O)CCCc2nn[n-]n2)cc1 ZINC000635635449 430332171 /nfs/dbraw/zinc/33/21/71/430332171.db2.gz OCVZCWKMQWAYOK-UHFFFAOYSA-N -1 1 317.393 2.586 20 0 DFADMM Cn1cc(C(C)(C)NC(=O)c2cc3ccccc3cc2[O-])cn1 ZINC000545998448 430341134 /nfs/dbraw/zinc/34/11/34/430341134.db2.gz GGSDNBAWWMXOPQ-UHFFFAOYSA-N -1 1 309.369 2.944 20 0 DFADMM Cc1cc(C)c(NC(=O)CN2CC[C@H](C)[C@H](C(=O)[O-])C2)c(C)c1 ZINC000568391043 430354389 /nfs/dbraw/zinc/35/43/89/430354389.db2.gz YBZLJLLXVXCIDZ-SWLSCSKDSA-N -1 1 318.417 2.593 20 0 DFADMM CO[C@@H]1CCN(Cc2cccc(Cl)c2F)[C@@H](C(=O)[O-])C1 ZINC000568415851 430358753 /nfs/dbraw/zinc/35/87/53/430358753.db2.gz GEKYAPYTNYMMHG-ZYHUDNBSSA-N -1 1 301.745 2.543 20 0 DFADMM C[C@H]1CCCN1S(=O)(=O)[N-]c1cnc(-c2ccccc2)s1 ZINC000546727376 430368116 /nfs/dbraw/zinc/36/81/16/430368116.db2.gz ZXHLETNURGNACW-NSHDSACASA-N -1 1 323.443 2.951 20 0 DFADMM CC(C)([N-]S(=O)(=O)c1ccc(Br)o1)C1CC1 ZINC000546781118 430370429 /nfs/dbraw/zinc/37/04/29/430370429.db2.gz XGENBXCUJCGPEW-UHFFFAOYSA-N -1 1 308.197 2.509 20 0 DFADMM O=C([O-])[C@@H]1CSCCN1Cc1ccc(Cl)c2cccnc12 ZINC000583275081 430381823 /nfs/dbraw/zinc/38/18/23/430381823.db2.gz ZWZWLMBTKUFSFN-ZDUSSCGKSA-N -1 1 322.817 2.890 20 0 DFADMM COc1ccc(C)cc1CN[C@@H](CC(=O)[O-])c1ccncc1 ZINC000583333331 430385924 /nfs/dbraw/zinc/38/59/24/430385924.db2.gz LPTJSSXESGFEGO-HNNXBMFYSA-N -1 1 300.358 2.704 20 0 DFADMM CC(C)Oc1ccc(NC(=O)CCCc2nn[n-]n2)c(Cl)c1 ZINC000635833273 430387499 /nfs/dbraw/zinc/38/74/99/430387499.db2.gz UINNUIJSXNGLOY-UHFFFAOYSA-N -1 1 323.784 2.602 20 0 DFADMM CCCC[C@H](C(=O)[O-])N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000568890996 430403735 /nfs/dbraw/zinc/40/37/35/430403735.db2.gz QZMKOPBWIMIKTO-CABCVRRESA-N -1 1 313.344 2.982 20 0 DFADMM CCO[C@@H](C)c1noc(CSc2nc(CC)c(C)c(=O)[n-]2)n1 ZINC000569259690 430437317 /nfs/dbraw/zinc/43/73/17/430437317.db2.gz IUQVDMOYFBPMCR-VIFPVBQESA-N -1 1 324.406 2.826 20 0 DFADMM OCC[C@@H](N=c1nc(C(F)(F)F)[n-]s1)C1CCCCC1 ZINC000548090306 430446185 /nfs/dbraw/zinc/44/61/85/430446185.db2.gz ZTCRGXGELSNMOS-SECBINFHSA-N -1 1 309.357 2.722 20 0 DFADMM CC(C)N1CCCC[C@H]1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000584172510 430465131 /nfs/dbraw/zinc/46/51/31/430465131.db2.gz SRGOPRLFPMPNJT-INIZCTEOSA-N -1 1 318.417 2.905 20 0 DFADMM CCOc1cc(C(=O)NCC2=CCOCC2)cc(Cl)c1[O-] ZINC000569071833 430419412 /nfs/dbraw/zinc/41/94/12/430419412.db2.gz CHPHRKAQVJETIO-UHFFFAOYSA-N -1 1 311.765 2.521 20 0 DFADMM O=C([O-])c1cccc(S(=O)(=O)Nc2cccc3cc[nH]c32)c1 ZINC000547822828 430425439 /nfs/dbraw/zinc/42/54/39/430425439.db2.gz GBOWGVRFCBXEKW-UHFFFAOYSA-N -1 1 316.338 2.667 20 0 DFADMM COc1ccc(Br)c(CN(C)[C@@H](C)CC(=O)[O-])c1 ZINC000569122593 430427480 /nfs/dbraw/zinc/42/74/80/430427480.db2.gz QJVLKFGFACOOEV-VIFPVBQESA-N -1 1 316.195 2.753 20 0 DFADMM Cc1cnc(C(=O)N2CC[C@@H](COc3ccccc3)C2)c([O-])c1 ZINC000548636844 430486853 /nfs/dbraw/zinc/48/68/53/430486853.db2.gz RHGDFUMSFKKPET-CQSZACIVSA-N -1 1 312.369 2.637 20 0 DFADMM CCCc1nc(C(=O)[N-]c2nnc([C@@H]3CCCO3)s2)co1 ZINC000636355450 430522056 /nfs/dbraw/zinc/52/20/56/430522056.db2.gz PJBZDWMAFSDVNK-VIFPVBQESA-N -1 1 308.363 2.582 20 0 DFADMM O=C([N-]c1nnc([C@H]2CCCO2)s1)c1coc(C2CC2)n1 ZINC000636356475 430523628 /nfs/dbraw/zinc/52/36/28/430523628.db2.gz YDGRZZAHXXFGDW-SECBINFHSA-N -1 1 306.347 2.507 20 0 DFADMM c1nn(-c2ccncc2)cc1N=c1nc(C2CCCC2)[n-]s1 ZINC000643183542 430555312 /nfs/dbraw/zinc/55/53/12/430555312.db2.gz SODMXGBGQGBDSI-UHFFFAOYSA-N -1 1 312.402 2.942 20 0 DFADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)C(C1CCC1)C1CCC1 ZINC000551949972 430571891 /nfs/dbraw/zinc/57/18/91/430571891.db2.gz KTTJZRJBVLGEGT-UHFFFAOYSA-N -1 1 302.300 2.978 20 0 DFADMM C[C@@H]1CCN(Cc2cc(-c3cccs3)on2)C[C@H]1C(=O)[O-] ZINC000570801680 430578441 /nfs/dbraw/zinc/57/84/41/430578441.db2.gz VWYLYYFINZDFPN-ZYHUDNBSSA-N -1 1 306.387 2.946 20 0 DFADMM C[C@H]1CCN(Cc2coc(-c3ccccc3)n2)C[C@@H]1C(=O)[O-] ZINC000570964688 430592202 /nfs/dbraw/zinc/59/22/02/430592202.db2.gz WYQQBTIIMMEJFD-WFASDCNBSA-N -1 1 300.358 2.884 20 0 DFADMM O=C(c1cccc(C2CC2)c1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000571104463 430603269 /nfs/dbraw/zinc/60/32/69/430603269.db2.gz UOXGXNXCNBWQMX-CQSZACIVSA-N -1 1 313.357 2.672 20 0 DFADMM CCc1ccccc1NC(=O)CSc1ncc(C)c(=O)[n-]1 ZINC000571225943 430614810 /nfs/dbraw/zinc/61/48/10/430614810.db2.gz FFQQLZUWTDTFNX-UHFFFAOYSA-N -1 1 303.387 2.784 20 0 DFADMM CCN1CCCC[C@@H]1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000571325445 430621165 /nfs/dbraw/zinc/62/11/65/430621165.db2.gz OYHSTHZAHPLXDB-OAHLLOKOSA-N -1 1 304.390 2.517 20 0 DFADMM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000643834685 430635821 /nfs/dbraw/zinc/63/58/21/430635821.db2.gz JCMWARNELKBKKU-YFKPBYRVSA-N -1 1 305.680 2.708 20 0 DFADMM COc1cccc2c1O[C@@H](c1ccc([O-])c(Cl)c1)NC2=O ZINC000639425676 430638025 /nfs/dbraw/zinc/63/80/25/430638025.db2.gz BRDYZVHLKRTRFU-HNNXBMFYSA-N -1 1 305.717 2.875 20 0 DFADMM O=C(Nc1cccc(N2CCCC2=O)c1)c1cc(C(F)F)n[nH]1 ZINC000639466655 430647624 /nfs/dbraw/zinc/64/76/24/430647624.db2.gz YDBHANWQQNADHE-UHFFFAOYSA-N -1 1 320.299 2.726 20 0 DFADMM C[C@@H]1CCCC[C@H]1CC(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000572277659 430679193 /nfs/dbraw/zinc/67/91/93/430679193.db2.gz CKMNGQPIKMDEGD-YPMHNXCESA-N -1 1 307.394 2.698 20 0 DFADMM CN(C)[C@H](CN=c1[n-]c(C2CCC2)no1)c1ccc(F)cc1 ZINC000556196586 430681479 /nfs/dbraw/zinc/68/14/79/430681479.db2.gz DRIMYMOGDHHFQH-CQSZACIVSA-N -1 1 304.369 2.613 20 0 DFADMM C[C@@H](C(=O)[O-])N(Cc1nc2cc(Cl)ccc2n1C)C1CC1 ZINC000263189632 278217275 /nfs/dbraw/zinc/21/72/75/278217275.db2.gz VMQYBTUJPVQEFX-VIFPVBQESA-N -1 1 307.781 2.664 20 0 DFADMM C[C@H](C(=O)NC1(c2nn[n-]n2)CCCC1)c1ccc(Cl)cc1 ZINC000651353338 430771885 /nfs/dbraw/zinc/77/18/85/430771885.db2.gz BNZKQSPNWDCZLH-JTQLQIEISA-N -1 1 319.796 2.542 20 0 DFADMM O=C(N[C@H](CO)C1CCCC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000644643977 430777876 /nfs/dbraw/zinc/77/78/76/430777876.db2.gz HBAAZCZARBRJCM-GFCCVEGCSA-N -1 1 317.307 2.692 20 0 DFADMM Cc1cccc2c1OC[C@H](NC(=O)c1ccc([O-])c(F)c1)C2 ZINC000644644533 430778347 /nfs/dbraw/zinc/77/83/47/430778347.db2.gz OYVOVBCWLGAALE-CYBMUJFWSA-N -1 1 301.317 2.573 20 0 DFADMM C[C@H](CC(=O)N1CCC(c2n[n-]c(=O)o2)CC1)CC(C)(C)C ZINC000644887065 430858473 /nfs/dbraw/zinc/85/84/73/430858473.db2.gz IWDRBZSDMZRAIB-LLVKDONJSA-N -1 1 309.410 2.944 20 0 DFADMM Cc1ccnc([C@@H]2CCN(C(=O)c3ccc([O-])c(F)c3)C2)c1 ZINC000655133317 430906321 /nfs/dbraw/zinc/90/63/21/430906321.db2.gz KUKPMVFWKCIULW-CYBMUJFWSA-N -1 1 300.333 2.864 20 0 DFADMM [O-]c1cccc(CNc2ccn(-c3ncccc3F)n2)c1Cl ZINC000645169292 430922991 /nfs/dbraw/zinc/92/29/91/430922991.db2.gz PDQHTHNKWCKDPD-UHFFFAOYSA-N -1 1 318.739 3.378 20 0 DFADMM CCC[C@@H]1CCC[C@H]1C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000648894402 430928311 /nfs/dbraw/zinc/92/83/11/430928311.db2.gz BVUUUZPTEVQPAR-YUELXQCFSA-N -1 1 313.405 2.622 20 0 DFADMM O=C([O-])[C@H]1CCCCN1Cc1cc(F)ccc1OC(F)F ZINC000662204410 430994545 /nfs/dbraw/zinc/99/45/45/430994545.db2.gz HXWXXIAEMVHCQG-LLVKDONJSA-N -1 1 303.280 2.866 20 0 DFADMM CCCN(C(=O)c1c[n-]c2cc(OC)ccc2c1=O)C(C)C ZINC000655408076 430994581 /nfs/dbraw/zinc/99/45/81/430994581.db2.gz NWLYNOYGQIACGQ-UHFFFAOYSA-N -1 1 302.374 2.797 20 0 DFADMM CCN(Cc1ccc(F)cc1Br)[C@H](C)C(=O)[O-] ZINC000662213882 431001168 /nfs/dbraw/zinc/00/11/68/431001168.db2.gz AKFAXODZWNKQKT-MRVPVSSYSA-N -1 1 304.159 2.883 20 0 DFADMM C[C@H](C(=O)N(C)c1ccccc1)N1CCC(CCC(=O)[O-])CC1 ZINC000662219378 431004028 /nfs/dbraw/zinc/00/40/28/431004028.db2.gz VLNGQRLNMXNESU-CQSZACIVSA-N -1 1 318.417 2.615 20 0 DFADMM C[C@H]1CC2(CN1C(=O)c1c(F)ccc([O-])c1F)CCOCC2 ZINC000649125519 431006097 /nfs/dbraw/zinc/00/60/97/431006097.db2.gz HOUCKYSIZGAVQQ-JTQLQIEISA-N -1 1 311.328 2.702 20 0 DFADMM C[C@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)C1CCCC1 ZINC000645534754 431025534 /nfs/dbraw/zinc/02/55/34/431025534.db2.gz KTXXMYNPHNPKRL-VIFPVBQESA-N -1 1 322.352 2.957 20 0 DFADMM COc1ccc(CN(C)Cc2cc(C)c(C(=O)[O-])o2)cc1OC ZINC000652373369 431035060 /nfs/dbraw/zinc/03/50/60/431035060.db2.gz VZHZDMKGEVMBMY-UHFFFAOYSA-N -1 1 319.357 2.935 20 0 DFADMM CC(C)=CCC[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000645677047 431048955 /nfs/dbraw/zinc/04/89/55/431048955.db2.gz BWDZNZDQXXUGQY-UHFFFAOYSA-N -1 1 308.325 2.735 20 0 DFADMM CCOc1ccc(CN(C)Cc2ccc(C(=O)[O-])cc2)nc1 ZINC000652459540 431057648 /nfs/dbraw/zinc/05/76/48/431057648.db2.gz YTUIIZZSYQVMIS-UHFFFAOYSA-N -1 1 300.358 2.811 20 0 DFADMM CCOc1cccc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)n1 ZINC000652470496 431061019 /nfs/dbraw/zinc/06/10/19/431061019.db2.gz ZGXSMQWTFRCMHD-INIZCTEOSA-N -1 1 312.369 2.664 20 0 DFADMM CCc1nc(C)c(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)o1 ZINC000652470348 431061595 /nfs/dbraw/zinc/06/15/95/431061595.db2.gz VAUPAIDPKIRMTF-CQSZACIVSA-N -1 1 300.358 2.729 20 0 DFADMM CCO[C@H](C)c1nc(CN(CCC(=O)[O-])CC2CC2)cs1 ZINC000652467338 431062045 /nfs/dbraw/zinc/06/20/45/431062045.db2.gz UNGYXUWJSUYKCC-LLVKDONJSA-N -1 1 312.435 2.927 20 0 DFADMM CC[C@@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)C(C)C ZINC000645489142 431015366 /nfs/dbraw/zinc/01/53/66/431015366.db2.gz DIEIYPDQXBNVJN-SNVBAGLBSA-N -1 1 310.341 2.813 20 0 DFADMM COc1ccncc1CN(CCC(=O)[O-])Cc1ccccc1 ZINC000659789946 431110664 /nfs/dbraw/zinc/11/06/64/431110664.db2.gz WBTFPQFVZLRTKE-UHFFFAOYSA-N -1 1 300.358 2.567 20 0 DFADMM O=C([O-])[C@H]1CC[C@@H](c2ccccc2)N1CCO[C@H]1CC1(F)F ZINC000659794126 431114909 /nfs/dbraw/zinc/11/49/09/431114909.db2.gz UZJHZEISMKGPBW-MJBXVCDLSA-N -1 1 311.328 2.701 20 0 DFADMM CO[C@H]1CCN(Cc2ccc(F)c(Cl)c2)[C@H](C(=O)[O-])C1 ZINC000659794958 431115292 /nfs/dbraw/zinc/11/52/92/431115292.db2.gz 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318199298 /nfs/dbraw/zinc/19/92/98/318199298.db2.gz CCLDYIGZZSMCDG-LBPRGKRZSA-N -1 1 319.382 2.718 20 0 DFADMM COc1ccc(C[C@H](C)CN(C)Cc2nc(C(=O)[O-])co2)cc1 ZINC000577521320 318199353 /nfs/dbraw/zinc/19/93/53/318199353.db2.gz ANVHXNXGLUCHHR-LBPRGKRZSA-N -1 1 318.373 2.692 20 0 DFADMM CCOC(=O)c1sc([C@H](C)NCc2ncccc2[O-])nc1C ZINC000577526827 318199805 /nfs/dbraw/zinc/19/98/05/318199805.db2.gz LFGIVSHMMWKHFA-JTQLQIEISA-N -1 1 321.402 2.580 20 0 DFADMM O=C(c1nc2ccccc2c(=O)[n-]1)N(CC1CC1)CC1CCC1 ZINC000579066143 318303936 /nfs/dbraw/zinc/30/39/36/318303936.db2.gz OXHYCLHKZMDTPP-UHFFFAOYSA-N -1 1 311.385 2.575 20 0 DFADMM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1nnc(-c2ccccc2)s1 ZINC000579249186 318317698 /nfs/dbraw/zinc/31/76/98/318317698.db2.gz ZMBIAWINXMLUQF-JQWIXIFHSA-N -1 1 303.387 2.500 20 0 DFADMM Cc1cc(F)ccc1CS(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195169164 323279164 /nfs/dbraw/zinc/27/91/64/323279164.db2.gz AMLVFJQIMYGMGR-UHFFFAOYSA-N -1 1 311.382 2.524 20 0 DFADMM Cc1oc(CN(C)CCOCc2ccccc2)cc1C(=O)[O-] ZINC000383648774 323304634 /nfs/dbraw/zinc/30/46/34/323304634.db2.gz IEICBPZLXPMJAA-UHFFFAOYSA-N -1 1 303.358 2.935 20 0 DFADMM COCCN(Cc1cc(C)c(C(=O)[O-])o1)Cc1ccccc1 ZINC000384401201 323306819 /nfs/dbraw/zinc/30/68/19/323306819.db2.gz MCODUMCWZIOPEU-UHFFFAOYSA-N -1 1 303.358 2.935 20 0 DFADMM CC[C@@H](C)[C@@H](NC(=O)c1ccc2ccccc2c1[O-])C(=O)OC ZINC000387272626 323323817 /nfs/dbraw/zinc/32/38/17/323323817.db2.gz DSXMVBFFCXBWGE-IAQYHMDHSA-N -1 1 315.369 2.863 20 0 DFADMM COc1ccccc1C[C@@H](C)N(C)Cc1nc(C(=O)[O-])cs1 ZINC000393250947 323348559 /nfs/dbraw/zinc/34/85/59/323348559.db2.gz ZVEPADBAAOWUAT-LLVKDONJSA-N -1 1 320.414 2.913 20 0 DFADMM C[C@H]1CN(Cc2cccc([O-])c2Cl)CC2(CCOCC2)O1 ZINC000294641040 533953538 /nfs/dbraw/zinc/95/35/38/533953538.db2.gz KGLWCNLDEXNTSG-LBPRGKRZSA-N -1 1 311.809 2.816 20 0 DFADMM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)cc1C ZINC000315146882 534212726 /nfs/dbraw/zinc/21/27/26/534212726.db2.gz XQEDFUYYHAFJII-UHFFFAOYSA-N -1 1 321.354 2.508 20 0 DFADMM Cc1nc(S(=O)(=O)[N-][C@H](c2cccnc2)C2CC2)sc1C ZINC000328804030 534520915 /nfs/dbraw/zinc/52/09/15/534520915.db2.gz KDQGDKHVPBSJCE-ZDUSSCGKSA-N -1 1 323.443 2.585 20 0 DFADMM Cc1nc(SCCCC(=O)N2CCCCC2)[n-]c(=O)c1C ZINC000331308660 534529248 /nfs/dbraw/zinc/52/92/48/534529248.db2.gz BKBYVDGFJPXSJD-UHFFFAOYSA-N -1 1 309.435 2.684 20 0 DFADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1C ZINC000103061705 522133373 /nfs/dbraw/zinc/13/33/73/522133373.db2.gz SKFYBFDBRHRTOG-UHFFFAOYSA-N -1 1 319.382 2.891 20 0 DFADMM O=C1[C@@H]([N-]c2noc(-c3ccccc3)n2)CCN1c1ccccc1 ZINC000157506710 527107874 /nfs/dbraw/zinc/10/78/74/527107874.db2.gz VKFCTIOKDXEQTQ-HNNXBMFYSA-N -1 1 320.352 2.954 20 0 DFADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccnc(-n2cccn2)c1 ZINC000156757905 527236225 /nfs/dbraw/zinc/23/62/25/527236225.db2.gz WIAMMTPUCCAPGT-UHFFFAOYSA-N -1 1 314.732 2.879 20 0 DFADMM CC[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccncc1 ZINC000173220837 535926416 /nfs/dbraw/zinc/92/64/16/535926416.db2.gz IAJONTGDGBLKTE-ZDUSSCGKSA-N -1 1 312.341 2.789 20 0 DFADMM COC(=O)Cc1ccc(-c2nc(=O)c3sccc3[n-]2)cc1C ZINC000359859149 536364966 /nfs/dbraw/zinc/36/49/66/536364966.db2.gz SBBLTYPCQVOVBJ-UHFFFAOYSA-N -1 1 314.366 2.676 20 0 DFADMM COc1ccccc1S(=O)(=O)[N-]c1nc2ccc(F)cc2[nH]1 ZINC000362870291 537103961 /nfs/dbraw/zinc/10/39/61/537103961.db2.gz ZZJLTDARILWOJK-UHFFFAOYSA-N -1 1 321.333 2.511 20 0 DFADMM O=C(NCc1cnn(-c2ccccc2)c1)c1ccc([O-])c(F)c1 ZINC000681014176 545581366 /nfs/dbraw/zinc/58/13/66/545581366.db2.gz GMDWQMJCOVLCPE-UHFFFAOYSA-N -1 1 311.316 2.647 20 0 DFADMM C[C@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc(NC(N)=O)cc1 ZINC000681017625 545582511 /nfs/dbraw/zinc/58/25/11/545582511.db2.gz IOSLBLWWDPTPAH-VIFPVBQESA-N -1 1 317.320 2.513 20 0 DFADMM Cc1cccc(OCCN(C)C(=O)c2ccc([O-])c(F)c2)c1 ZINC000681016364 545583001 /nfs/dbraw/zinc/58/30/01/545583001.db2.gz SNFSSNHRJNMOHJ-UHFFFAOYSA-N -1 1 303.333 2.991 20 0 DFADMM CCNC(=O)c1ccc(C)c(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000681020334 545584280 /nfs/dbraw/zinc/58/42/80/545584280.db2.gz YTNVJKBHYPDDMT-UHFFFAOYSA-N -1 1 316.332 2.842 20 0 DFADMM Cn1ccnc1-c1csc(NC(=O)c2ccc([O-])c(F)c2)n1 ZINC000681056744 545590786 /nfs/dbraw/zinc/59/07/86/545590786.db2.gz DJRZHAKQXRYLAC-UHFFFAOYSA-N -1 1 318.333 2.641 20 0 DFADMM CC(C)[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1nc(C2CC2)no1 ZINC000681038935 545586688 /nfs/dbraw/zinc/58/66/88/545586688.db2.gz FAFNWRQQOGWYHK-CYBMUJFWSA-N -1 1 319.336 2.919 20 0 DFADMM O=C(NCCOc1ccc(F)cc1F)c1ccc([O-])c(F)c1 ZINC000681041463 545586973 /nfs/dbraw/zinc/58/69/73/545586973.db2.gz BUJSWJACRLYAHX-UHFFFAOYSA-N -1 1 311.259 2.618 20 0 DFADMM O=C(N[C@H]1CCOc2ccc(F)cc21)c1ccc([O-])c(F)c1 ZINC000681045426 545587855 /nfs/dbraw/zinc/58/78/55/545587855.db2.gz QBRUHKGLMVEVCW-ZDUSSCGKSA-N -1 1 305.280 2.924 20 0 DFADMM O=C(N[C@@H]1CCOc2ccc(F)cc21)c1ccc([O-])c(F)c1 ZINC000681045424 545587951 /nfs/dbraw/zinc/58/79/51/545587951.db2.gz QBRUHKGLMVEVCW-CYBMUJFWSA-N -1 1 305.280 2.924 20 0 DFADMM COC[C@H](Cc1ccccc1)NC(=O)c1ccc([O-])c(F)c1 ZINC000681051693 545588936 /nfs/dbraw/zinc/58/89/36/545588936.db2.gz CYZOQFBVGQCRCD-AWEZNQCLSA-N -1 1 303.333 2.519 20 0 DFADMM C[C@@H](O)CN(Cc1ccccc1)C(=O)c1ccc([O-])c(F)c1 ZINC000681049864 545589087 /nfs/dbraw/zinc/58/90/87/545589087.db2.gz VDBGNCKUVRFCJM-GFCCVEGCSA-N -1 1 303.333 2.555 20 0 DFADMM Cc1cccc2nc(CNC(=O)c3ccc([O-])c(F)c3)n(C)c21 ZINC000681055592 545589776 /nfs/dbraw/zinc/58/97/76/545589776.db2.gz DHWQUCQUKSBCFX-UHFFFAOYSA-N -1 1 313.332 2.656 20 0 DFADMM Cc1cnc(C(=O)N2CCCO[C@@H](c3ccccc3)C2)c([O-])c1 ZINC000681726913 545708530 /nfs/dbraw/zinc/70/85/30/545708530.db2.gz LGBSXEQIIHAFGL-MRXNPFEDSA-N -1 1 312.369 2.699 20 0 DFADMM Cc1cnc(C(=O)N2C[C@H](C(F)(F)F)CC[C@@H]2C)c([O-])c1 ZINC000681743600 545713181 /nfs/dbraw/zinc/71/31/81/545713181.db2.gz PDRIWLBIZFAAGH-VHSXEESVSA-N -1 1 302.296 2.899 20 0 DFADMM O=C(Nc1ccc(OC2COC2)cc1)c1ccc([O-])c(F)c1 ZINC000682013708 545774131 /nfs/dbraw/zinc/77/41/31/545774131.db2.gz CEVAWQHTFZNVFJ-UHFFFAOYSA-N -1 1 303.289 2.561 20 0 DFADMM CO[C@]1(C(F)(F)F)CCCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000682015814 545774479 /nfs/dbraw/zinc/77/44/79/545774479.db2.gz GNHCHKDJCIEOEX-CYBMUJFWSA-N -1 1 321.270 2.715 20 0 DFADMM COc1nnc([N-]C(=O)c2c(C)onc2-c2ccccc2)s1 ZINC000682678431 545895653 /nfs/dbraw/zinc/89/56/53/545895653.db2.gz AUBWRFWKVZPSEA-UHFFFAOYSA-N -1 1 316.342 2.762 20 0 DFADMM COc1nnc([N-]C(=O)c2nc(C)oc2-c2ccccc2)s1 ZINC000682839062 545924617 /nfs/dbraw/zinc/92/46/17/545924617.db2.gz DEPYJJXSXXCLNR-UHFFFAOYSA-N -1 1 316.342 2.762 20 0 DFADMM CC[C@H](C)c1nc([C@@H](C)NC(=O)c2c([O-])cc(F)cc2F)n[nH]1 ZINC000683122081 545976553 /nfs/dbraw/zinc/97/65/53/545976553.db2.gz UIUPCROLPUEBIC-JGVFFNPUSA-N -1 1 324.331 2.793 20 0 DFADMM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1nccs1 ZINC000683538207 546056851 /nfs/dbraw/zinc/05/68/51/546056851.db2.gz VLQUVMIRQZSAMP-UHFFFAOYSA-N -1 1 305.750 2.834 20 0 DFADMM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1nccs1 ZINC000683556942 546060054 /nfs/dbraw/zinc/06/00/54/546060054.db2.gz MWBQUMOUJKTBAN-UHFFFAOYSA-N -1 1 319.777 2.689 20 0 DFADMM COc1ccc(Cl)cc1S(=O)(=O)[N-]C(C)(C)C(F)F ZINC000684599708 546250040 /nfs/dbraw/zinc/25/00/40/546250040.db2.gz UDWZNEYYOTUIRX-UHFFFAOYSA-N -1 1 313.753 2.671 20 0 DFADMM Cc1cc(CN(C)C(=O)c2ccc(C(F)(F)F)c([O-])c2)no1 ZINC000684870380 546295435 /nfs/dbraw/zinc/29/54/35/546295435.db2.gz DHQJCCCKZZRMNK-UHFFFAOYSA-N -1 1 314.263 2.980 20 0 DFADMM C[C@@H](O)CC(C)(C)CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684876305 546296063 /nfs/dbraw/zinc/29/60/63/546296063.db2.gz SJPXLGWMPPDMHT-SECBINFHSA-N -1 1 319.323 2.938 20 0 DFADMM CC(C)(CO)CCCNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684877116 546296701 /nfs/dbraw/zinc/29/67/01/546296701.db2.gz KJJOBCRZUDCGJG-UHFFFAOYSA-N -1 1 319.323 2.940 20 0 DFADMM CC[C@](C)(CCO)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684877317 546296821 /nfs/dbraw/zinc/29/68/21/546296821.db2.gz LKMQXGJTMGWKBB-CYBMUJFWSA-N -1 1 305.296 2.692 20 0 DFADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H](C)c1ccc(C(C)C)cc1 ZINC000685489733 546358822 /nfs/dbraw/zinc/35/88/22/546358822.db2.gz UIMCXWQTJYLSBG-JTQLQIEISA-N -1 1 323.418 2.728 20 0 DFADMM Cc1cc(=O)cc(C)n1CCCC(=O)Nc1c([O-])cccc1F ZINC000685743336 546387335 /nfs/dbraw/zinc/38/73/35/546387335.db2.gz XDBZGRXQSYDKMT-UHFFFAOYSA-N -1 1 318.348 2.729 20 0 DFADMM O=C(O[C@H]1CCc2ccccc21)c1sccc1-c1nn[n-]n1 ZINC000738220663 599027517 /nfs/dbraw/zinc/02/75/17/599027517.db2.gz SHTISRPXPRQOSB-LBPRGKRZSA-N -1 1 312.354 2.773 20 0 DFADMM CC[C@@]1(C)CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000820951261 599089836 /nfs/dbraw/zinc/08/98/36/599089836.db2.gz XCGXACHWEBBYCN-LBPRGKRZSA-N -1 1 312.830 2.993 20 0 DFADMM CC[C@@]1(C)CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000820951261 599089839 /nfs/dbraw/zinc/08/98/39/599089839.db2.gz XCGXACHWEBBYCN-LBPRGKRZSA-N -1 1 312.830 2.993 20 0 DFADMM Cc1ccc(OCc2nc(CNCCC(=O)[O-])cs2)cc1 ZINC000818918558 597135701 /nfs/dbraw/zinc/13/57/01/597135701.db2.gz YLNRBOIPGJFCRO-UHFFFAOYSA-N -1 1 306.387 2.595 20 0 DFADMM CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N1CC[C@H](C(=O)[O-])C1 ZINC000818136108 597525117 /nfs/dbraw/zinc/52/51/17/597525117.db2.gz JTIJTKSOFQUYDZ-IHRRRGAJSA-N -1 1 318.417 2.934 20 0 DFADMM CSCc1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000821970820 607317128 /nfs/dbraw/zinc/31/71/28/607317128.db2.gz SOXBPEFLZWVCOO-UHFFFAOYSA-N -1 1 301.375 2.935 20 0 DFADMM CSCc1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000821970820 607317129 /nfs/dbraw/zinc/31/71/29/607317129.db2.gz SOXBPEFLZWVCOO-UHFFFAOYSA-N -1 1 301.375 2.935 20 0 DFADMM CC(C)n1ncc2cc(CN(C)CCC(=O)[O-])c(Cl)nc21 ZINC000820066841 598126687 /nfs/dbraw/zinc/12/66/87/598126687.db2.gz JMDHQMGNTCMONE-UHFFFAOYSA-N -1 1 310.785 2.572 20 0 DFADMM CC(C)(C)[C@@H]1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC000735597627 598347774 /nfs/dbraw/zinc/34/77/74/598347774.db2.gz QTXQUDRWCWEGBP-VXGBXAGGSA-N -1 1 315.425 2.921 20 0 DFADMM CC(C)(C)[C@@H]1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC000735597627 598347775 /nfs/dbraw/zinc/34/77/75/598347775.db2.gz QTXQUDRWCWEGBP-VXGBXAGGSA-N -1 1 315.425 2.921 20 0 DFADMM C[C@@H](CC(C)(C)c1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC000735985093 598348451 /nfs/dbraw/zinc/34/84/51/598348451.db2.gz IWCRLVOXTUMKNM-LBPRGKRZSA-N -1 1 323.404 2.825 20 0 DFADMM C[C@@H](CC(C)(C)c1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC000735985093 598348453 /nfs/dbraw/zinc/34/84/53/598348453.db2.gz IWCRLVOXTUMKNM-LBPRGKRZSA-N -1 1 323.404 2.825 20 0 DFADMM C[C@@H](Sc1nccnc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000736194127 598349672 /nfs/dbraw/zinc/34/96/72/598349672.db2.gz ZSIZQIRXSFCBQZ-MRVPVSSYSA-N -1 1 302.338 2.649 20 0 DFADMM C[C@H]1CCC[C@@H](N(C)c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000736247157 598572807 /nfs/dbraw/zinc/57/28/07/598572807.db2.gz AOGJQPGLTMYSCS-VHSXEESVSA-N -1 1 306.801 2.930 20 0 DFADMM C[C@H]1CCC[C@@H](N(C)c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000736247157 598572808 /nfs/dbraw/zinc/57/28/08/598572808.db2.gz AOGJQPGLTMYSCS-VHSXEESVSA-N -1 1 306.801 2.930 20 0 DFADMM Clc1ccc(N[C@@H]2C[C@H]2c2ccccc2)nc1-c1nnn[n-]1 ZINC000737574156 598578270 /nfs/dbraw/zinc/57/82/70/598578270.db2.gz LJPLGWYFLRFNAY-CMPLNLGQSA-N -1 1 312.764 2.883 20 0 DFADMM Clc1ccc(N[C@@H]2C[C@H]2c2ccccc2)nc1-c1nn[n-]n1 ZINC000737574156 598578272 /nfs/dbraw/zinc/57/82/72/598578272.db2.gz LJPLGWYFLRFNAY-CMPLNLGQSA-N -1 1 312.764 2.883 20 0 DFADMM CC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1OC ZINC000736367892 599406109 /nfs/dbraw/zinc/40/61/09/599406109.db2.gz DFGVELLDEGSGRI-GFCCVEGCSA-N -1 1 310.361 2.834 20 0 DFADMM CC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1OC ZINC000736367892 599406110 /nfs/dbraw/zinc/40/61/10/599406110.db2.gz DFGVELLDEGSGRI-GFCCVEGCSA-N -1 1 310.361 2.834 20 0 DFADMM C[C@@H](Cc1ccccc1Cl)Nc1cccc(-c2nnn[n-]2)n1 ZINC000736059455 599408016 /nfs/dbraw/zinc/40/80/16/599408016.db2.gz SNWITZHKBKEACQ-JTQLQIEISA-N -1 1 314.780 2.958 20 0 DFADMM C[C@@H](Cc1ccccc1Cl)Nc1cccc(-c2nn[n-]n2)n1 ZINC000736059455 599408017 /nfs/dbraw/zinc/40/80/17/599408017.db2.gz SNWITZHKBKEACQ-JTQLQIEISA-N -1 1 314.780 2.958 20 0 DFADMM CCOc1cccc([C@@H](C)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC000736654664 599420046 /nfs/dbraw/zinc/42/00/46/599420046.db2.gz LTPPPQDXBFKRSK-LLVKDONJSA-N -1 1 310.361 2.834 20 0 DFADMM CCOc1cccc([C@@H](C)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC000736654664 599420048 /nfs/dbraw/zinc/42/00/48/599420048.db2.gz LTPPPQDXBFKRSK-LLVKDONJSA-N -1 1 310.361 2.834 20 0 DFADMM Cc1ccc(C(C)(C)CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000737316859 599427695 /nfs/dbraw/zinc/42/76/95/599427695.db2.gz HIOIINLSYJQSOH-UHFFFAOYSA-N -1 1 308.389 2.960 20 0 DFADMM Cc1ccc(C(C)(C)CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000737316859 599427697 /nfs/dbraw/zinc/42/76/97/599427697.db2.gz HIOIINLSYJQSOH-UHFFFAOYSA-N -1 1 308.389 2.960 20 0 DFADMM CCCC[C@@H](COC)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736438203 599442567 /nfs/dbraw/zinc/44/25/67/599442567.db2.gz MRPYZXMCVBKLPO-VIFPVBQESA-N -1 1 310.789 2.532 20 0 DFADMM CCCC[C@@H](COC)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736438203 599442570 /nfs/dbraw/zinc/44/25/70/599442570.db2.gz MRPYZXMCVBKLPO-VIFPVBQESA-N -1 1 310.789 2.532 20 0 DFADMM Cc1ccccc1[C@H]1C[C@@H](C)N(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000737421463 599529469 /nfs/dbraw/zinc/52/94/69/599529469.db2.gz IWRNILIRFOPMAX-KGLIPLIRSA-N -1 1 320.400 2.953 20 0 DFADMM Cc1ccccc1[C@H]1C[C@@H](C)N(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000737421463 599529471 /nfs/dbraw/zinc/52/94/71/599529471.db2.gz IWRNILIRFOPMAX-KGLIPLIRSA-N -1 1 320.400 2.953 20 0 DFADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(F)ccc2Cl)o1 ZINC000231810747 599739566 /nfs/dbraw/zinc/73/95/66/599739566.db2.gz XTWPTSGEIXHZAJ-UHFFFAOYSA-N -1 1 319.697 2.571 20 0 DFADMM Cc1c(Cl)cccc1NC(=O)CN(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000738291652 599948841 /nfs/dbraw/zinc/94/88/41/599948841.db2.gz WJXUOPFGOXYVJE-SNVBAGLBSA-N -1 1 324.808 2.772 20 0 DFADMM CCC[C@@](C)(NCC(=O)N[C@@H](C)c1ccc(C)c(C)c1)C(=O)[O-] ZINC000736966061 600151981 /nfs/dbraw/zinc/15/19/81/600151981.db2.gz ZFPQAYIZKGMFFT-KBXCAEBGSA-N -1 1 320.433 2.714 20 0 DFADMM CCC[C@](C)(NCC(=O)N[C@H](C)c1ccc(CC)cc1)C(=O)[O-] ZINC000736961370 600154922 /nfs/dbraw/zinc/15/49/22/600154922.db2.gz ARAMPIWETVUKEI-ACJLOTCBSA-N -1 1 320.433 2.659 20 0 DFADMM CCC[C@@](C)(NCC(=O)Nc1c(C)cccc1CC)C(=O)[O-] ZINC000314386645 600155874 /nfs/dbraw/zinc/15/58/74/600155874.db2.gz VCWLXMBSFVEPEP-QGZVFWFLSA-N -1 1 306.406 2.729 20 0 DFADMM C[C@@H](CN(C)Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000042707072 600368431 /nfs/dbraw/zinc/36/84/31/600368431.db2.gz GJTDYQGKHFWTGC-VIFPVBQESA-N -1 1 309.753 2.543 20 0 DFADMM CCCCCCN(C)CC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736983997 600483758 /nfs/dbraw/zinc/48/37/58/600483758.db2.gz VOYGNUADDJCMIV-UHFFFAOYSA-N -1 1 310.369 2.975 20 0 DFADMM COc1cc(CNCc2ccc(C(=O)[O-])o2)ccc1SC ZINC000737885826 600524705 /nfs/dbraw/zinc/52/47/05/600524705.db2.gz JMPAVESCIAKOMD-UHFFFAOYSA-N -1 1 307.371 2.998 20 0 DFADMM C[C@H]1C[C@H](C)N(CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)C1 ZINC000736755140 600716311 /nfs/dbraw/zinc/71/63/11/600716311.db2.gz KRUPKLUMJVUWKW-UWVGGRQHSA-N -1 1 322.430 2.604 20 0 DFADMM CC[C@H]1CN(Cn2ncc3cc(C(=O)[O-])ccc32)CCS1 ZINC000829149035 600718011 /nfs/dbraw/zinc/71/80/11/600718011.db2.gz CWUNSQCBFIMCKJ-ZDUSSCGKSA-N -1 1 305.403 2.519 20 0 DFADMM CC(C)[C@@H](C(=O)OCc1ccc(C(=O)[O-])cc1)N1CCCC1 ZINC000736348918 600735287 /nfs/dbraw/zinc/73/52/87/600735287.db2.gz DRYAHIZAIKEASR-HNNXBMFYSA-N -1 1 305.374 2.548 20 0 DFADMM C[C@H](OC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)c1ccc(C(=O)[O-])o1 ZINC000736682707 600736240 /nfs/dbraw/zinc/73/62/40/600736240.db2.gz GNIULYUCUVYZFZ-USZNOCQGSA-N -1 1 309.362 2.843 20 0 DFADMM CC(=O)Nc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000825913566 600737750 /nfs/dbraw/zinc/73/77/50/600737750.db2.gz UNDXAPWOMAKNOT-MRXNPFEDSA-N -1 1 316.332 2.700 20 0 DFADMM CC[C@@H]1CCCN([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000829125287 600792410 /nfs/dbraw/zinc/79/24/10/600792410.db2.gz KATSGWMKOMJRSQ-YPMHNXCESA-N -1 1 322.430 2.674 20 0 DFADMM CCC1CCN([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC000829125662 600793845 /nfs/dbraw/zinc/79/38/45/600793845.db2.gz PQKQVGIBXJIBNP-CYBMUJFWSA-N -1 1 322.430 2.674 20 0 DFADMM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(CC1CCC1)CC2 ZINC000585090450 600816927 /nfs/dbraw/zinc/81/69/27/600816927.db2.gz OIHYPWKIUVECHK-OAHLLOKOSA-N -1 1 319.401 2.878 20 0 DFADMM CC(C)C[C@H]1CCN(CC(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000826839666 600823545 /nfs/dbraw/zinc/82/35/45/600823545.db2.gz FNTYLDVLSGEHRL-CYBMUJFWSA-N -1 1 304.390 2.691 20 0 DFADMM CCC[C@](C)(NCC(=O)Nc1sc(C)c(C)c1C)C(=O)[O-] ZINC000829193803 600831499 /nfs/dbraw/zinc/83/14/99/600831499.db2.gz JGDNVHYPSBBNGS-HNNXBMFYSA-N -1 1 312.435 2.845 20 0 DFADMM O=C([O-])[C@H]1CCCN(Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000314553235 600846106 /nfs/dbraw/zinc/84/61/06/600846106.db2.gz ZGRCBKUQTQHJSR-JTQLQIEISA-N -1 1 321.764 2.687 20 0 DFADMM C[C@H]1CCC[C@H](C)N(CC(=O)Nc2ccsc2C(=O)[O-])C1 ZINC000736774561 600968883 /nfs/dbraw/zinc/96/88/83/600968883.db2.gz JXUQLTDRCKQRKL-QWRGUYRKSA-N -1 1 310.419 2.895 20 0 DFADMM c1ccc2c(c1)SCCCN2Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826524148 607483307 /nfs/dbraw/zinc/48/33/07/607483307.db2.gz KYWLUIBDWLFIDQ-UHFFFAOYSA-N -1 1 324.413 2.764 20 0 DFADMM c1ccc2c(c1)SCCCN2Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826524148 607483308 /nfs/dbraw/zinc/48/33/08/607483308.db2.gz KYWLUIBDWLFIDQ-UHFFFAOYSA-N -1 1 324.413 2.764 20 0 DFADMM CCSCC[C@H](C)N(C)CC(=O)Nc1ccccc1C(=O)[O-] ZINC000830164221 601053227 /nfs/dbraw/zinc/05/32/27/601053227.db2.gz SCMIISHNNBOQCS-LBPRGKRZSA-N -1 1 324.446 2.787 20 0 DFADMM Cc1cc(F)ccc1[C@H](O)CN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000832889475 601114189 /nfs/dbraw/zinc/11/41/89/601114189.db2.gz LRNJSJVTEGXMSL-QGZVFWFLSA-N -1 1 315.344 2.882 20 0 DFADMM C/C(=C/CN1CCC[C@H](C(=O)c2ccc(F)cc2)C1)C(=O)[O-] ZINC000825734676 601170050 /nfs/dbraw/zinc/17/00/50/601170050.db2.gz KFKNIPITKJZGTL-UNJUUPHPSA-N -1 1 305.349 2.751 20 0 DFADMM CC(C)[C@@H]1CN(Cn2nc(C(=O)[O-])c3ccccc32)CCS1 ZINC000826742282 601401210 /nfs/dbraw/zinc/40/12/10/601401210.db2.gz YMGKYPIVSKDBQF-AWEZNQCLSA-N -1 1 319.430 2.765 20 0 DFADMM CC(C)[C@@H](C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1)N1CCCC1 ZINC000827802579 601466664 /nfs/dbraw/zinc/46/66/64/601466664.db2.gz FZPQZXFXSMSNIP-RISCZKNCSA-N -1 1 309.362 2.702 20 0 DFADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccsc2)cc(F)c1F ZINC000080309777 601484770 /nfs/dbraw/zinc/48/47/70/601484770.db2.gz SNSPMYDWGZUQPY-UHFFFAOYSA-N -1 1 319.310 2.525 20 0 DFADMM COC[C@](C)(CC(=O)[O-])NCc1nc(-c2ccsc2)oc1C ZINC000831586303 601487446 /nfs/dbraw/zinc/48/74/46/601487446.db2.gz VBDGJCZTHWSTNE-HNNXBMFYSA-N -1 1 324.402 2.681 20 0 DFADMM CCC1CCC(NCC(=O)N2C[C@@H](C)C[C@H](C)C2)(C(=O)[O-])CC1 ZINC000829101476 601494105 /nfs/dbraw/zinc/49/41/05/601494105.db2.gz PKTQFQLGWRCKBH-KZGGZSBBSA-N -1 1 324.465 2.504 20 0 DFADMM C[C@@H]1CN(Cc2nc(-c3cccc(Cl)c3)no2)C[C@@H]1C(=O)[O-] ZINC000314985879 601511971 /nfs/dbraw/zinc/51/19/71/601511971.db2.gz GCTOMBWIWWOVAL-SKDRFNHKSA-N -1 1 321.764 2.543 20 0 DFADMM Cc1ccc(NC(=O)[C@H](C)N2C[C@H](C)[C@@H](C(=O)[O-])C2)c(Cl)c1 ZINC000832942728 601536172 /nfs/dbraw/zinc/53/61/72/601536172.db2.gz KAIAVQNOFALVRJ-SRVKXCTJSA-N -1 1 324.808 2.628 20 0 DFADMM Cc1sc(NC(=O)CN2C[C@H](C)[C@@H](C)C2)c(C(=O)[O-])c1C ZINC000833034054 601539217 /nfs/dbraw/zinc/53/92/17/601539217.db2.gz NLNPYZPCRRVCQC-IUCAKERBSA-N -1 1 310.419 2.589 20 0 DFADMM O=C([O-])c1ccc(CNCc2c[nH]nc2-c2ccccc2F)o1 ZINC000756286013 601559719 /nfs/dbraw/zinc/55/97/19/601559719.db2.gz SYUPLSRGOWXGJR-UHFFFAOYSA-N -1 1 315.304 2.797 20 0 DFADMM Cc1cnn([C@@H]2CCCN(Cc3ccc(C(=O)[O-])c(F)c3)C2)c1 ZINC000832986601 601632003 /nfs/dbraw/zinc/63/20/03/601632003.db2.gz HAOWWAICFFEDTA-CQSZACIVSA-N -1 1 317.364 2.866 20 0 DFADMM CCCCN(CC)CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000020342455 601633952 /nfs/dbraw/zinc/63/39/52/601633952.db2.gz UCNSPXCKYQARKF-UHFFFAOYSA-N -1 1 324.446 2.996 20 0 DFADMM CCc1cccc2c1N(Cc1ccnc(-c3nnn[n-]3)c1)CCC2 ZINC000825722724 607519509 /nfs/dbraw/zinc/51/95/09/607519509.db2.gz KTNAJJFKXPWJPF-UHFFFAOYSA-N -1 1 320.400 2.777 20 0 DFADMM CCc1cccc2c1N(Cc1ccnc(-c3nn[n-]n3)c1)CCC2 ZINC000825722724 607519514 /nfs/dbraw/zinc/51/95/14/607519514.db2.gz KTNAJJFKXPWJPF-UHFFFAOYSA-N -1 1 320.400 2.777 20 0 DFADMM CC(C)CC1(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)CCCC1 ZINC000826818471 601687222 /nfs/dbraw/zinc/68/72/22/601687222.db2.gz ABTCOZCGVHSCIS-HNNXBMFYSA-N -1 1 324.465 2.600 20 0 DFADMM COc1ccc([C@@H](CO)N(C)Cc2ccsc2C(=O)[O-])cc1 ZINC000832241813 601827189 /nfs/dbraw/zinc/82/71/89/601827189.db2.gz ZUMSXNJYROIDQT-CQSZACIVSA-N -1 1 321.398 2.620 20 0 DFADMM Cc1cc(C)c(NC(=O)CN[C@@H](C(=O)[O-])C(C)(C)C)c(C)c1 ZINC000832873934 601874423 /nfs/dbraw/zinc/87/44/23/601874423.db2.gz DMCSMRJZSPQUOY-HNNXBMFYSA-N -1 1 306.406 2.639 20 0 DFADMM O=C([O-])c1ccc(CSc2nc(-c3cccnc3)n[nH]2)s1 ZINC000833317338 601894209 /nfs/dbraw/zinc/89/42/09/601894209.db2.gz QOKYKYQPGQQNMC-UHFFFAOYSA-N -1 1 318.383 2.919 20 0 DFADMM O=C([O-])c1ccc(CSc2nc(-c3ccccn3)n[nH]2)s1 ZINC000833317679 601895900 /nfs/dbraw/zinc/89/59/00/601895900.db2.gz ZEIXEHAMFIZJCU-UHFFFAOYSA-N -1 1 318.383 2.919 20 0 DFADMM Fc1ccc(CSCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826374878 607533093 /nfs/dbraw/zinc/53/30/93/607533093.db2.gz PVKVIDJWTZQKMF-UHFFFAOYSA-N -1 1 301.350 2.834 20 0 DFADMM Fc1ccc(CSCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000826374878 607533094 /nfs/dbraw/zinc/53/30/94/607533094.db2.gz PVKVIDJWTZQKMF-UHFFFAOYSA-N -1 1 301.350 2.834 20 0 DFADMM O=C([O-])NC[C@@H]1CCN(Cc2ccccc2Br)C1 ZINC000740645366 601961602 /nfs/dbraw/zinc/96/16/02/601961602.db2.gz FOOCOHYHTUCOHU-JTQLQIEISA-N -1 1 313.195 2.539 20 0 DFADMM CCC[C@@H]1CCCN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000829265913 601965440 /nfs/dbraw/zinc/96/54/40/601965440.db2.gz FFTLUUKSOBAGEK-CYBMUJFWSA-N -1 1 304.390 2.835 20 0 DFADMM CCC[C@@H]1CCCN(CC(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC000829267357 601967769 /nfs/dbraw/zinc/96/77/69/601967769.db2.gz SZJSZNURAIOLDC-CYBMUJFWSA-N -1 1 304.390 2.835 20 0 DFADMM Cc1ccc2nc([C@H]3CCCN3C(=O)[C@@H](C)CC(=O)[O-])[nH]c2c1 ZINC000832958982 602132837 /nfs/dbraw/zinc/13/28/37/602132837.db2.gz OMTSXHPRCGYWPG-SMDDNHRTSA-N -1 1 315.373 2.646 20 0 DFADMM Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@@H](C)CC(=O)[O-])[nH]c2c1 ZINC000832958907 602132980 /nfs/dbraw/zinc/13/29/80/602132980.db2.gz OMTSXHPRCGYWPG-FZMZJTMJSA-N -1 1 315.373 2.646 20 0 DFADMM O=C([O-])c1ccc(CNCc2cc(F)cc3cccnc32)o1 ZINC000756285976 602189889 /nfs/dbraw/zinc/18/98/89/602189889.db2.gz RCZDJVHTYDPRSG-UHFFFAOYSA-N -1 1 300.289 2.955 20 0 DFADMM C[C@H](CC(=O)[O-])C(=O)O[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000827324365 602191814 /nfs/dbraw/zinc/19/18/14/602191814.db2.gz DIXRUQXMMWAFNZ-HTQZYQBOSA-N -1 1 310.737 2.931 20 0 DFADMM Cc1ccc(Cl)c(NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826288492 607551876 /nfs/dbraw/zinc/55/18/76/607551876.db2.gz JHRANDBRYJQGDX-UHFFFAOYSA-N -1 1 300.753 2.836 20 0 DFADMM Cc1ccc(Cl)c(NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826288492 607551877 /nfs/dbraw/zinc/55/18/77/607551877.db2.gz JHRANDBRYJQGDX-UHFFFAOYSA-N -1 1 300.753 2.836 20 0 DFADMM CC(C)[C@@H](NC(=O)CN[C@H](C(=O)[O-])C(C)(C)C)c1ccccc1 ZINC000826693762 602224153 /nfs/dbraw/zinc/22/41/53/602224153.db2.gz MMEOUTOGZPCAQL-HZPDHXFCSA-N -1 1 320.433 2.589 20 0 DFADMM COc1ccc(-c2cc(CN[C@H](C(=O)[O-])C(C)(C)C)on2)cc1 ZINC000832116117 602228305 /nfs/dbraw/zinc/22/83/05/602228305.db2.gz IYDOURXYBHEOKG-OAHLLOKOSA-N -1 1 318.373 2.939 20 0 DFADMM CC[C@]1(C)CCN(CC(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000829049972 602239703 /nfs/dbraw/zinc/23/97/03/602239703.db2.gz ISKKYIIZJQVZJS-QGZVFWFLSA-N -1 1 304.390 2.754 20 0 DFADMM O=C([O-])c1coc(CN2CCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000833339827 602249280 /nfs/dbraw/zinc/24/92/80/602249280.db2.gz OCHNCCMREFXYNU-JSGCOSHPSA-N -1 1 305.330 2.659 20 0 DFADMM Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccsc1C(=O)[O-] ZINC000833016119 602345167 /nfs/dbraw/zinc/34/51/67/602345167.db2.gz UBTUWSTXHVSZTM-CYBMUJFWSA-N -1 1 305.403 2.825 20 0 DFADMM COc1ccc(OC)c(CN2CCC(CN(C)C(=O)[O-])CC2)c1 ZINC000739929263 602386008 /nfs/dbraw/zinc/38/60/08/602386008.db2.gz 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CCN(Cc1ccoc1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000821230303 606124078 /nfs/dbraw/zinc/12/40/78/606124078.db2.gz GDBVWHPOSQZPPW-UHFFFAOYSA-N -1 1 310.770 2.596 20 0 DFADMM CCN(Cc1ccoc1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000821230303 606124079 /nfs/dbraw/zinc/12/40/79/606124079.db2.gz GDBVWHPOSQZPPW-UHFFFAOYSA-N -1 1 310.770 2.596 20 0 DFADMM C[C@H](CNc1cccc(-c2nnn[n-]2)n1)c1nc2ccccc2o1 ZINC000820280911 606137886 /nfs/dbraw/zinc/13/78/86/606137886.db2.gz PEGHKLMNOKGWPF-SNVBAGLBSA-N -1 1 321.344 2.619 20 0 DFADMM C[C@H](CNc1cccc(-c2nn[n-]n2)n1)c1nc2ccccc2o1 ZINC000820280911 606137888 /nfs/dbraw/zinc/13/78/88/606137888.db2.gz PEGHKLMNOKGWPF-SNVBAGLBSA-N -1 1 321.344 2.619 20 0 DFADMM C[C@H]1[C@@H](Cc2ccccc2)CCN1c1cccc(-c2nnn[n-]2)n1 ZINC000820643320 606138630 /nfs/dbraw/zinc/13/86/30/606138630.db2.gz UKOFEZWLGAQITQ-DZGCQCFKSA-N -1 1 320.400 2.719 20 0 DFADMM C[C@H]1[C@@H](Cc2ccccc2)CCN1c1cccc(-c2nn[n-]n2)n1 ZINC000820643320 606138631 /nfs/dbraw/zinc/13/86/31/606138631.db2.gz UKOFEZWLGAQITQ-DZGCQCFKSA-N -1 1 320.400 2.719 20 0 DFADMM CCS[C@H]1CCC[C@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC000821456604 606401147 /nfs/dbraw/zinc/40/11/47/606401147.db2.gz QTDGWJDSRWBHAY-QWRGUYRKSA-N -1 1 304.423 2.738 20 0 DFADMM CCS[C@H]1CCC[C@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC000821456604 606401149 /nfs/dbraw/zinc/40/11/49/606401149.db2.gz QTDGWJDSRWBHAY-QWRGUYRKSA-N -1 1 304.423 2.738 20 0 DFADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N[C@H]1CCCSC1 ZINC000823796724 606402403 /nfs/dbraw/zinc/40/24/03/606402403.db2.gz FHKNLKVJITVXGQ-JTQLQIEISA-N -1 1 312.402 2.722 20 0 DFADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N[C@H]1CCCSC1 ZINC000823796724 606402404 /nfs/dbraw/zinc/40/24/04/606402404.db2.gz FHKNLKVJITVXGQ-JTQLQIEISA-N -1 1 312.402 2.722 20 0 DFADMM COc1ccc(NCc2ccc(-c3nn[n-]n3)s2)c(OC)c1 ZINC000821835403 606411464 /nfs/dbraw/zinc/41/14/64/606411464.db2.gz JUIMDXALCLUEGA-UHFFFAOYSA-N -1 1 317.374 2.558 20 0 DFADMM Clc1ccc(N2CCC[C@H]3CCC[C@@H]32)nc1-c1nnn[n-]1 ZINC000822578593 606469427 /nfs/dbraw/zinc/46/94/27/606469427.db2.gz LHGUIGIHAUCVLI-KOLCDFICSA-N -1 1 304.785 2.684 20 0 DFADMM Clc1ccc(N2CCC[C@H]3CCC[C@@H]32)nc1-c1nn[n-]n1 ZINC000822578593 606469429 /nfs/dbraw/zinc/46/94/29/606469429.db2.gz LHGUIGIHAUCVLI-KOLCDFICSA-N -1 1 304.785 2.684 20 0 DFADMM Cc1cc(C)cc(OC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822197911 606487532 /nfs/dbraw/zinc/48/75/32/606487532.db2.gz UQZPNZCZMHLDGK-UHFFFAOYSA-N -1 1 300.343 2.764 20 0 DFADMM Cc1cc(C)cc(OC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822197911 606487534 /nfs/dbraw/zinc/48/75/34/606487534.db2.gz UQZPNZCZMHLDGK-UHFFFAOYSA-N -1 1 300.343 2.764 20 0 DFADMM Cc1ccc(F)c(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822240136 606489098 /nfs/dbraw/zinc/48/90/98/606489098.db2.gz UFLHUIROIIMMRI-UHFFFAOYSA-N -1 1 303.322 2.628 20 0 DFADMM Cc1ccc(F)c(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822240136 606489099 /nfs/dbraw/zinc/48/90/99/606489099.db2.gz UFLHUIROIIMMRI-UHFFFAOYSA-N -1 1 303.322 2.628 20 0 DFADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1C ZINC000821160976 606501796 /nfs/dbraw/zinc/50/17/96/606501796.db2.gz SIZSDXSSZFVWOU-UHFFFAOYSA-N -1 1 313.386 2.903 20 0 DFADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1C ZINC000821160976 606501797 /nfs/dbraw/zinc/50/17/97/606501797.db2.gz SIZSDXSSZFVWOU-UHFFFAOYSA-N -1 1 313.386 2.903 20 0 DFADMM O=C(NCCC1CCCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823188307 606509432 /nfs/dbraw/zinc/50/94/32/606509432.db2.gz XJICNXGNYZFHRK-UHFFFAOYSA-N -1 1 305.407 2.628 20 0 DFADMM O=C(NCCC1CCCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823188307 606509434 /nfs/dbraw/zinc/50/94/34/606509434.db2.gz XJICNXGNYZFHRK-UHFFFAOYSA-N -1 1 305.407 2.628 20 0 DFADMM Cc1ccc(N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)c(C)c1 ZINC000822241336 606517145 /nfs/dbraw/zinc/51/71/45/606517145.db2.gz SAHMVIMTAKFEDD-UHFFFAOYSA-N -1 1 313.386 2.822 20 0 DFADMM Cc1ccc(N(C)C(=O)c2ccc(-c3nn[n-]n3)s2)c(C)c1 ZINC000822241336 606517146 /nfs/dbraw/zinc/51/71/46/606517146.db2.gz SAHMVIMTAKFEDD-UHFFFAOYSA-N -1 1 313.386 2.822 20 0 DFADMM CC(C)(C)C[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819907966 606538753 /nfs/dbraw/zinc/53/87/53/606538753.db2.gz VBAFVLQQMBKPCC-SNVBAGLBSA-N -1 1 319.434 2.969 20 0 DFADMM CC(C)(C)C[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819907966 606538755 /nfs/dbraw/zinc/53/87/55/606538755.db2.gz VBAFVLQQMBKPCC-SNVBAGLBSA-N -1 1 319.434 2.969 20 0 DFADMM CC[C@]1(C)CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820951400 606577080 /nfs/dbraw/zinc/57/70/80/606577080.db2.gz ZQTGIWGEMCSNEB-CQSZACIVSA-N -1 1 305.407 2.581 20 0 DFADMM CC[C@]1(C)CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820951400 606577082 /nfs/dbraw/zinc/57/70/82/606577082.db2.gz ZQTGIWGEMCSNEB-CQSZACIVSA-N -1 1 305.407 2.581 20 0 DFADMM C[C@H]1CCCC[C@H]1CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820698132 606651840 /nfs/dbraw/zinc/65/18/40/606651840.db2.gz QFDJXLKXMCXMEX-AAEUAGOBSA-N -1 1 315.377 2.521 20 0 DFADMM C[C@H]1CCCC[C@H]1CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820698132 606651841 /nfs/dbraw/zinc/65/18/41/606651841.db2.gz QFDJXLKXMCXMEX-AAEUAGOBSA-N -1 1 315.377 2.521 20 0 DFADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C1CCCCCCC1 ZINC000823435868 606652418 /nfs/dbraw/zinc/65/24/18/606652418.db2.gz BYQYDEGUGVGKSD-UHFFFAOYSA-N -1 1 315.377 2.665 20 0 DFADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C1CCCCCCC1 ZINC000823435868 606652419 /nfs/dbraw/zinc/65/24/19/606652419.db2.gz BYQYDEGUGVGKSD-UHFFFAOYSA-N -1 1 315.377 2.665 20 0 DFADMM C[C@@H](CC1CCCC1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820235592 606653412 /nfs/dbraw/zinc/65/34/12/606653412.db2.gz SKBNFQNRCNZGGS-NSHDSACASA-N -1 1 315.377 2.521 20 0 DFADMM C[C@@H](CC1CCCC1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820235592 606653413 /nfs/dbraw/zinc/65/34/13/606653413.db2.gz SKBNFQNRCNZGGS-NSHDSACASA-N -1 1 315.377 2.521 20 0 DFADMM O=C(CC1CCCCCC1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822940822 606653515 /nfs/dbraw/zinc/65/35/15/606653515.db2.gz FXJSQFNBVBENNC-UHFFFAOYSA-N -1 1 315.377 2.665 20 0 DFADMM O=C(CC1CCCCCC1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822940822 606653516 /nfs/dbraw/zinc/65/35/16/606653516.db2.gz FXJSQFNBVBENNC-UHFFFAOYSA-N -1 1 315.377 2.665 20 0 DFADMM CN(C(=O)c1ccc(-c2nnn[n-]2)s1)C1CCC(C)(C)CC1 ZINC000821573250 606691435 /nfs/dbraw/zinc/69/14/35/606691435.db2.gz HKUBNCLOPLAIIL-UHFFFAOYSA-N -1 1 319.434 2.969 20 0 DFADMM CN(C(=O)c1ccc(-c2nn[n-]n2)s1)C1CCC(C)(C)CC1 ZINC000821573250 606691436 /nfs/dbraw/zinc/69/14/36/606691436.db2.gz HKUBNCLOPLAIIL-UHFFFAOYSA-N -1 1 319.434 2.969 20 0 DFADMM CCOCCC1(CNc2cccc(-c3nnn[n-]3)n2)CCCC1 ZINC000821373301 606720661 /nfs/dbraw/zinc/72/06/61/606720661.db2.gz FNLZFCHYMPMCGF-UHFFFAOYSA-N -1 1 316.409 2.661 20 0 DFADMM CCOCCC1(CNc2cccc(-c3nn[n-]n3)n2)CCCC1 ZINC000821373301 606720663 /nfs/dbraw/zinc/72/06/63/606720663.db2.gz FNLZFCHYMPMCGF-UHFFFAOYSA-N -1 1 316.409 2.661 20 0 DFADMM CC(C)CC1(CNc2nccnc2-c2nnn[n-]2)CCCC1 ZINC000820063629 606724193 /nfs/dbraw/zinc/72/41/93/606724193.db2.gz XPUVGPCTHAIPRG-UHFFFAOYSA-N -1 1 301.398 2.675 20 0 DFADMM CC(C)CC1(CNc2nccnc2-c2nn[n-]n2)CCCC1 ZINC000820063629 606724194 /nfs/dbraw/zinc/72/41/94/606724194.db2.gz XPUVGPCTHAIPRG-UHFFFAOYSA-N -1 1 301.398 2.675 20 0 DFADMM C[C@]1(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)CCCS1 ZINC000820623646 606946166 /nfs/dbraw/zinc/94/61/66/606946166.db2.gz VOMPZUCAISJXBX-GFCCVEGCSA-N -1 1 310.814 2.613 20 0 DFADMM C[C@]1(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)CCCS1 ZINC000820623646 606946167 /nfs/dbraw/zinc/94/61/67/606946167.db2.gz VOMPZUCAISJXBX-GFCCVEGCSA-N -1 1 310.814 2.613 20 0 DFADMM Fc1cccc2c1N(c1ccc(Cl)c(-c3nnn[n-]3)n1)CC2 ZINC000822792440 607175810 /nfs/dbraw/zinc/17/58/10/607175810.db2.gz WNECSABGSXMLSF-UHFFFAOYSA-N -1 1 316.727 2.748 20 0 DFADMM Fc1cccc2c1N(c1ccc(Cl)c(-c3nn[n-]n3)n1)CC2 ZINC000822792440 607175811 /nfs/dbraw/zinc/17/58/11/607175811.db2.gz WNECSABGSXMLSF-UHFFFAOYSA-N -1 1 316.727 2.748 20 0 DFADMM CC1(C)CCC(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC000820590774 607185183 /nfs/dbraw/zinc/18/51/83/607185183.db2.gz ZMBZNCDSPHMNKP-UHFFFAOYSA-N -1 1 315.377 2.521 20 0 DFADMM CC1(C)CCC(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000820590774 607185184 /nfs/dbraw/zinc/18/51/84/607185184.db2.gz ZMBZNCDSPHMNKP-UHFFFAOYSA-N -1 1 315.377 2.521 20 0 DFADMM CC1(C)C[C@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)CCO1 ZINC000824788868 607821209 /nfs/dbraw/zinc/82/12/09/607821209.db2.gz DAAVPSNHCUERDN-LLVKDONJSA-N -1 1 324.388 2.784 20 0 DFADMM CC1(C)C[C@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)CCO1 ZINC000824788868 607821210 /nfs/dbraw/zinc/82/12/10/607821210.db2.gz DAAVPSNHCUERDN-LLVKDONJSA-N -1 1 324.388 2.784 20 0 DFADMM CC1(C)C[C@@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)CCO1 ZINC000824788870 607821362 /nfs/dbraw/zinc/82/13/62/607821362.db2.gz DAAVPSNHCUERDN-NSHDSACASA-N -1 1 324.388 2.784 20 0 DFADMM CC1(C)C[C@@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)CCO1 ZINC000824788870 607821363 /nfs/dbraw/zinc/82/13/63/607821363.db2.gz DAAVPSNHCUERDN-NSHDSACASA-N -1 1 324.388 2.784 20 0 DFADMM CC(C)c1cnc(COc2cccc(F)c2-c2nnn[n-]2)o1 ZINC000824352626 607864055 /nfs/dbraw/zinc/86/40/55/607864055.db2.gz KWTGWHDYSVRKDC-UHFFFAOYSA-N -1 1 303.297 2.696 20 0 DFADMM CC(C)c1cnc(COc2cccc(F)c2-c2nn[n-]n2)o1 ZINC000824352626 607864056 /nfs/dbraw/zinc/86/40/56/607864056.db2.gz KWTGWHDYSVRKDC-UHFFFAOYSA-N -1 1 303.297 2.696 20 0 DFADMM Fc1cccc(OCc2ccc(Cl)nc2)c1-c1nnn[n-]1 ZINC000826377913 607865329 /nfs/dbraw/zinc/86/53/29/607865329.db2.gz LYKJBWIKWFMFJR-UHFFFAOYSA-N -1 1 305.700 2.633 20 0 DFADMM Fc1cccc(OCc2ccc(Cl)nc2)c1-c1nn[n-]n1 ZINC000826377913 607865330 /nfs/dbraw/zinc/86/53/30/607865330.db2.gz LYKJBWIKWFMFJR-UHFFFAOYSA-N -1 1 305.700 2.633 20 0 DFADMM Cc1nc(C)c(COc2cccc(F)c2-c2nnn[n-]2)s1 ZINC000826324263 607866189 /nfs/dbraw/zinc/86/61/89/607866189.db2.gz KGGCEZZPIWHROR-UHFFFAOYSA-N -1 1 305.338 2.658 20 0 DFADMM Cc1nc(C)c(COc2cccc(F)c2-c2nn[n-]n2)s1 ZINC000826324263 607866190 /nfs/dbraw/zinc/86/61/90/607866190.db2.gz KGGCEZZPIWHROR-UHFFFAOYSA-N -1 1 305.338 2.658 20 0 DFADMM CN(CCOc1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000825946393 607866895 /nfs/dbraw/zinc/86/68/95/607866895.db2.gz WJGJLOSCOLFYCV-UHFFFAOYSA-N -1 1 313.336 2.521 20 0 DFADMM CN(CCOc1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000825946393 607866896 /nfs/dbraw/zinc/86/68/96/607866896.db2.gz WJGJLOSCOLFYCV-UHFFFAOYSA-N -1 1 313.336 2.521 20 0 DFADMM FC(F)(F)C1CCC(Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC000826366965 607895840 /nfs/dbraw/zinc/89/58/40/607895840.db2.gz FUJFTNJHXTYOKD-UHFFFAOYSA-N -1 1 312.299 2.795 20 0 DFADMM FC(F)(F)C1CCC(Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC000826366965 607895841 /nfs/dbraw/zinc/89/58/41/607895841.db2.gz FUJFTNJHXTYOKD-UHFFFAOYSA-N -1 1 312.299 2.795 20 0 DFADMM CC(C)n1ncc2cc(Nc3cccc(-c4nnn[n-]4)n3)ccc21 ZINC000824377616 607899721 /nfs/dbraw/zinc/89/97/21/607899721.db2.gz ISAVLOGWUOEQSO-UHFFFAOYSA-N -1 1 320.360 2.936 20 0 DFADMM CC(C)n1ncc2cc(Nc3cccc(-c4nn[n-]n4)n3)ccc21 ZINC000824377616 607899722 /nfs/dbraw/zinc/89/97/22/607899722.db2.gz ISAVLOGWUOEQSO-UHFFFAOYSA-N -1 1 320.360 2.936 20 0 DFADMM Cc1ccc(C[C@H](C)N(C)c2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826286430 607900172 /nfs/dbraw/zinc/90/01/72/607900172.db2.gz BPSSNLNDPAKHKE-ZDUSSCGKSA-N -1 1 308.389 2.638 20 0 DFADMM Cc1ccc(C[C@H](C)N(C)c2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826286430 607900173 /nfs/dbraw/zinc/90/01/73/607900173.db2.gz BPSSNLNDPAKHKE-ZDUSSCGKSA-N -1 1 308.389 2.638 20 0 DFADMM C[C@@H]1C[C@H](c2cccc(F)c2)N(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000824899545 607900353 /nfs/dbraw/zinc/90/03/53/607900353.db2.gz LDQXYPMVRANVEC-IAQYHMDHSA-N -1 1 324.363 2.988 20 0 DFADMM C[C@@H]1C[C@H](c2cccc(F)c2)N(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000824899545 607900354 /nfs/dbraw/zinc/90/03/54/607900354.db2.gz LDQXYPMVRANVEC-IAQYHMDHSA-N -1 1 324.363 2.988 20 0 DFADMM CCC(=O)c1ccc(Oc2cccc(-c3nnn[n-]3)n2)c(F)c1 ZINC000825038441 607902053 /nfs/dbraw/zinc/90/20/53/607902053.db2.gz BPWJVNUWFSHEIG-UHFFFAOYSA-N -1 1 313.292 2.786 20 0 DFADMM CCC(=O)c1ccc(Oc2cccc(-c3nn[n-]n3)n2)c(F)c1 ZINC000825038441 607902054 /nfs/dbraw/zinc/90/20/54/607902054.db2.gz BPWJVNUWFSHEIG-UHFFFAOYSA-N -1 1 313.292 2.786 20 0 DFADMM Fc1ccc2nc(-c3ccc(-c4nnn[n-]4)o3)n(C3CC3)c2c1 ZINC000826375878 607975691 /nfs/dbraw/zinc/97/56/91/607975691.db2.gz FTWKZQZMEKXKDB-UHFFFAOYSA-N -1 1 310.292 2.950 20 0 DFADMM Fc1ccc2nc(-c3ccc(-c4nn[n-]n4)o3)n(C3CC3)c2c1 ZINC000826375878 607975692 /nfs/dbraw/zinc/97/56/92/607975692.db2.gz FTWKZQZMEKXKDB-UHFFFAOYSA-N -1 1 310.292 2.950 20 0 DFADMM CC1(C)CCC(CNC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000824795654 608004430 /nfs/dbraw/zinc/00/44/30/608004430.db2.gz BGIQEGWWFLVOQO-UHFFFAOYSA-N -1 1 319.434 2.874 20 0 DFADMM CC1(C)CCC(CNC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000824795654 608004431 /nfs/dbraw/zinc/00/44/31/608004431.db2.gz BGIQEGWWFLVOQO-UHFFFAOYSA-N -1 1 319.434 2.874 20 0 DFADMM C[C@H]1CCc2ccccc2[C@@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000824969004 608099589 /nfs/dbraw/zinc/09/95/89/608099589.db2.gz RZQFSCPBZQQETG-MEDUHNTESA-N -1 1 306.373 2.997 20 0 DFADMM C[C@H]1CCc2ccccc2[C@@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000824969004 608099590 /nfs/dbraw/zinc/09/95/90/608099590.db2.gz RZQFSCPBZQQETG-MEDUHNTESA-N -1 1 306.373 2.997 20 0 DFADMM C[C@H]1CCC[C@H](COC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000824927428 608170021 /nfs/dbraw/zinc/17/00/21/608170021.db2.gz OFYJIDGKUKXDBH-UWVGGRQHSA-N -1 1 306.391 2.911 20 0 DFADMM Clc1nsc(N2CC[C@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC000826354040 608177528 /nfs/dbraw/zinc/17/75/28/608177528.db2.gz NUCVDMAFKVCLJC-VIFPVBQESA-N -1 1 318.793 2.928 20 0 DFADMM Clc1nsc(N2CC[C@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC000826354040 608177530 /nfs/dbraw/zinc/17/75/30/608177530.db2.gz NUCVDMAFKVCLJC-VIFPVBQESA-N -1 1 318.793 2.928 20 0 DFADMM Fc1cccc(Oc2nc(C3CC3)ns2)c1-c1nnn[n-]1 ZINC000826377755 608193379 /nfs/dbraw/zinc/19/33/79/608193379.db2.gz FCMUCBIFDFBNEY-UHFFFAOYSA-N -1 1 304.310 2.527 20 0 DFADMM Fc1cccc(Oc2nc(C3CC3)ns2)c1-c1nn[n-]n1 ZINC000826377755 608193381 /nfs/dbraw/zinc/19/33/81/608193381.db2.gz FCMUCBIFDFBNEY-UHFFFAOYSA-N -1 1 304.310 2.527 20 0 DFADMM CCC1(CC)[C@H](Nc2cccc(-c3nnn[n-]3)n2)[C@@H](C)[C@H]1OC ZINC000825171538 608196960 /nfs/dbraw/zinc/19/69/60/608196960.db2.gz RJIYMVMQLXKMMA-LERXQTSPSA-N -1 1 316.409 2.513 20 0 DFADMM CCC1(CC)[C@H](Nc2cccc(-c3nn[n-]n3)n2)[C@@H](C)[C@H]1OC ZINC000825171538 608196962 /nfs/dbraw/zinc/19/69/62/608196962.db2.gz RJIYMVMQLXKMMA-LERXQTSPSA-N -1 1 316.409 2.513 20 0 DFADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1cccc(F)c1F ZINC000824662389 608304611 /nfs/dbraw/zinc/30/46/11/608304611.db2.gz JCVAYUUZAPQNNF-QMMMGPOBSA-N -1 1 302.288 2.713 20 0 DFADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1cccc(F)c1F ZINC000824662389 608304612 /nfs/dbraw/zinc/30/46/12/608304612.db2.gz JCVAYUUZAPQNNF-QMMMGPOBSA-N -1 1 302.288 2.713 20 0 DFADMM CC(C)C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC000824237163 608391598 /nfs/dbraw/zinc/39/15/98/608391598.db2.gz RIYLLENLSHTSPV-AWEZNQCLSA-N -1 1 309.377 2.856 20 0 DFADMM CC(C)C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC000824237163 608391600 /nfs/dbraw/zinc/39/16/00/608391600.db2.gz RIYLLENLSHTSPV-AWEZNQCLSA-N -1 1 309.377 2.856 20 0 DFADMM C[C@H](c1cc2ccccc2o1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824764520 608394580 /nfs/dbraw/zinc/39/45/80/608394580.db2.gz WXBIIICXPIJUOO-SNVBAGLBSA-N -1 1 321.344 2.600 20 0 DFADMM C[C@H](c1cc2ccccc2o1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824764520 608394582 /nfs/dbraw/zinc/39/45/82/608394582.db2.gz WXBIIICXPIJUOO-SNVBAGLBSA-N -1 1 321.344 2.600 20 0 DFADMM CC(C)(C)[C@@H]1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000824077992 608404669 /nfs/dbraw/zinc/40/46/69/608404669.db2.gz GVGXJWGKTDKKJE-VXGBXAGGSA-N -1 1 315.425 2.921 20 0 DFADMM CC(C)(C)[C@@H]1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000824077992 608404671 /nfs/dbraw/zinc/40/46/71/608404671.db2.gz GVGXJWGKTDKKJE-VXGBXAGGSA-N -1 1 315.425 2.921 20 0 DFADMM CC1(C)CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)c2ccccc21 ZINC000824801689 608406561 /nfs/dbraw/zinc/40/65/61/608406561.db2.gz GNPYANSRGPIOMJ-ZDUSSCGKSA-N -1 1 321.388 2.881 20 0 DFADMM CC1(C)CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)c2ccccc21 ZINC000824801689 608406563 /nfs/dbraw/zinc/40/65/63/608406563.db2.gz GNPYANSRGPIOMJ-ZDUSSCGKSA-N -1 1 321.388 2.881 20 0 DFADMM c1ccc2c(c1)CCCC[C@H]2Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826523130 608411543 /nfs/dbraw/zinc/41/15/43/608411543.db2.gz BJUUDKCFCRMNIL-CYBMUJFWSA-N -1 1 307.361 2.536 20 0 DFADMM c1ccc2c(c1)CCCC[C@H]2Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826523130 608411545 /nfs/dbraw/zinc/41/15/45/608411545.db2.gz BJUUDKCFCRMNIL-CYBMUJFWSA-N -1 1 307.361 2.536 20 0 DFADMM CC[C@@H](CSC)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000825126612 608416867 /nfs/dbraw/zinc/41/68/67/608416867.db2.gz JGRHERDMYPPHBS-JTQLQIEISA-N -1 1 314.418 2.968 20 0 DFADMM CC[C@@H](CSC)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000825126612 608416869 /nfs/dbraw/zinc/41/68/69/608416869.db2.gz JGRHERDMYPPHBS-JTQLQIEISA-N -1 1 314.418 2.968 20 0 DFADMM C[C@@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)c2ccccc21 ZINC000824917054 608437025 /nfs/dbraw/zinc/43/70/25/608437025.db2.gz LNQMNIYSKXXBHH-ZWNOBZJWSA-N -1 1 307.361 2.707 20 0 DFADMM C[C@@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)c2ccccc21 ZINC000824917054 608437026 /nfs/dbraw/zinc/43/70/26/608437026.db2.gz LNQMNIYSKXXBHH-ZWNOBZJWSA-N -1 1 307.361 2.707 20 0 DFADMM Cc1ccc(-c2nn[n-]n2)nc1NCCCN(C)c1ccccc1 ZINC000826280459 608541047 /nfs/dbraw/zinc/54/10/47/608541047.db2.gz CFXHVXQXXNLOLX-UHFFFAOYSA-N -1 1 323.404 2.509 20 0 DFADMM CCCCN(Cc1ccc(-c2nnn[n-]2)o1)CC(F)(F)F ZINC000825285476 608598361 /nfs/dbraw/zinc/59/83/61/608598361.db2.gz XMWQIQLHQYEMAW-UHFFFAOYSA-N -1 1 303.288 2.624 20 0 DFADMM CCCCN(Cc1ccc(-c2nn[n-]n2)o1)CC(F)(F)F ZINC000825285476 608598363 /nfs/dbraw/zinc/59/83/63/608598363.db2.gz XMWQIQLHQYEMAW-UHFFFAOYSA-N -1 1 303.288 2.624 20 0 DFADMM CC(C)(C)c1nnc(NCc2ccc(-c3nn[n-]n3)s2)s1 ZINC000824141916 609265874 /nfs/dbraw/zinc/26/58/74/609265874.db2.gz OIEIJSFOBSRAJB-UHFFFAOYSA-N -1 1 321.435 2.689 20 0 DFADMM C[C@H]1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C[C@H]1F ZINC000824962205 609319549 /nfs/dbraw/zinc/31/95/49/609319549.db2.gz QCPCJWQUOANAGA-CMPLNLGQSA-N -1 1 312.352 2.599 20 0 DFADMM C[C@H]1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C[C@H]1F ZINC000824962205 609319550 /nfs/dbraw/zinc/31/95/50/609319550.db2.gz QCPCJWQUOANAGA-CMPLNLGQSA-N -1 1 312.352 2.599 20 0 DFADMM CC(C)(C)CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824093684 609319742 /nfs/dbraw/zinc/31/97/42/609319742.db2.gz JOKNMDTYTJJFGG-UHFFFAOYSA-N -1 1 315.356 2.650 20 0 DFADMM CC(C)[C@@H](C)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824192462 609350173 /nfs/dbraw/zinc/35/01/73/609350173.db2.gz JZHNWZDUJNWYMA-SNVBAGLBSA-N -1 1 315.356 2.648 20 0 DFADMM CC(C)C[C@@H](C)C[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824228750 609362632 /nfs/dbraw/zinc/36/26/32/609362632.db2.gz KIYLCSFHSKHMLX-VXGBXAGGSA-N -1 1 317.393 2.879 20 0 DFADMM CC(C)C[C@@H](C)C[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824228750 609362634 /nfs/dbraw/zinc/36/26/34/609362634.db2.gz KIYLCSFHSKHMLX-VXGBXAGGSA-N -1 1 317.393 2.879 20 0 DFADMM C[C@H]1CC[C@]2(CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC000824914978 609395902 /nfs/dbraw/zinc/39/59/02/609395902.db2.gz AUSANQBQJDTINY-BONVTDFDSA-N -1 1 317.418 2.581 20 0 DFADMM C[C@H]1CC[C@]2(CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC000824914978 609395904 /nfs/dbraw/zinc/39/59/04/609395904.db2.gz AUSANQBQJDTINY-BONVTDFDSA-N -1 1 317.418 2.581 20 0 DFADMM C(=C/[C@H]1CCCN1c1cccc(-c2nnn[n-]2)n1)\c1ccccc1 ZINC000823861994 609578649 /nfs/dbraw/zinc/57/86/49/609578649.db2.gz WPLXOQJOXGKTDJ-AYJWMTRPSA-N -1 1 318.384 2.944 20 0 DFADMM C(=C/[C@H]1CCCN1c1cccc(-c2nn[n-]n2)n1)\c1ccccc1 ZINC000823861994 609578651 /nfs/dbraw/zinc/57/86/51/609578651.db2.gz WPLXOQJOXGKTDJ-AYJWMTRPSA-N -1 1 318.384 2.944 20 0 DFADMM CCOc1cc(C(=O)NCc2ncc(CC)o2)cc(Cl)c1[O-] ZINC000278335644 214096886 /nfs/dbraw/zinc/09/68/86/214096886.db2.gz ZVVVOMSHCHZWRV-UHFFFAOYSA-N -1 1 324.764 2.925 20 0 DFADMM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1n[nH]c2ccccc21 ZINC000323942390 231221547 /nfs/dbraw/zinc/22/15/47/231221547.db2.gz UKGOIEDRSMSPPA-CQSZACIVSA-N -1 1 315.373 2.716 20 0 DFADMM CC[C@H](NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C)C(C)C ZINC000299622063 529474319 /nfs/dbraw/zinc/47/43/19/529474319.db2.gz FBVJATHRVTVMFB-AWEZNQCLSA-N -1 1 318.421 2.535 20 0 DFADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)cc1 ZINC000007050442 398357910 /nfs/dbraw/zinc/35/79/10/398357910.db2.gz BBHFKERHZXBOCY-UHFFFAOYSA-N -1 1 315.354 2.566 20 0 DFADMM O=C(NCc1ccc2c(n1)CCCC2)c1ccc([O-])cc1F ZINC000278208907 214024601 /nfs/dbraw/zinc/02/46/01/214024601.db2.gz SQQPRGWLQGJQLV-UHFFFAOYSA-N -1 1 300.333 2.735 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000364671771 295689685 /nfs/dbraw/zinc/68/96/85/295689685.db2.gz ASMNBAUVALZAJQ-MGPLVRAMSA-N -1 1 321.446 2.865 20 0 DFADMM CCC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1nn[n-]n1 ZINC000246286303 398393882 /nfs/dbraw/zinc/39/38/82/398393882.db2.gz ASZRKTUWJCRPCI-XQQFMLRXSA-N -1 1 319.796 2.614 20 0 DFADMM Cc1n[n-]c(=S)n1CCNC(=O)Nc1c(C)cc(C)cc1C ZINC000084293590 398397210 /nfs/dbraw/zinc/39/72/10/398397210.db2.gz ZRWPMMXHGJPOMY-UHFFFAOYSA-N -1 1 319.434 2.996 20 0 DFADMM CCOc1cc(NC(=O)NCc2n[n-]c(=S)n2C)ccc1C ZINC000085582367 398415505 /nfs/dbraw/zinc/41/55/05/398415505.db2.gz NSVVRFYERVADGL-UHFFFAOYSA-N -1 1 321.406 2.507 20 0 DFADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1nccn1Cc1ccccc1 ZINC000584839000 398420287 /nfs/dbraw/zinc/42/02/87/398420287.db2.gz PXTSHDZXGPJHAT-HOCLYGCPSA-N -1 1 313.401 2.617 20 0 DFADMM COC(=O)c1ccc(NC(=O)c2ccc(OC)cc2[O-])s1 ZINC000592563921 398445803 /nfs/dbraw/zinc/44/58/03/398445803.db2.gz KUAPUVFWNYFBQA-UHFFFAOYSA-N -1 1 307.327 2.501 20 0 DFADMM Cc1noc([C@H]2CCCN2C(=O)c2ccc(Cl)cc2[O-])n1 ZINC000286741510 219139386 /nfs/dbraw/zinc/13/93/86/219139386.db2.gz WHINQEDWLKWPPK-LLVKDONJSA-N -1 1 307.737 2.714 20 0 DFADMM CN(Cc1ncnn1CC(F)F)Cc1cccc([O-])c1Cl ZINC000294545474 530029184 /nfs/dbraw/zinc/02/91/84/530029184.db2.gz DWMXUCAGMJOHBJ-UHFFFAOYSA-N -1 1 316.739 2.534 20 0 DFADMM O=C(NCc1cccc(O)c1)c1cc(Br)ccc1[O-] ZINC000048747414 282385440 /nfs/dbraw/zinc/38/54/40/282385440.db2.gz COIUOVMEJQVQRH-UHFFFAOYSA-N -1 1 322.158 2.790 20 0 DFADMM O=C([N-]c1cnoc1)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000588037926 398477882 /nfs/dbraw/zinc/47/78/82/398477882.db2.gz GUCUARHFZSVZTP-UHFFFAOYSA-N -1 1 315.310 2.779 20 0 DFADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000068371953 398499515 /nfs/dbraw/zinc/49/95/15/398499515.db2.gz FWZILOXQONCABT-VTXSZYRJSA-N -1 1 323.396 2.986 20 0 DFADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)c2ccccc2)CC1 ZINC000068454075 398504736 /nfs/dbraw/zinc/50/47/36/398504736.db2.gz BMNPPWHAQYSCPT-UHFFFAOYSA-N -1 1 316.430 2.980 20 0 DFADMM COc1ccc(S(=O)(=O)[N-]c2cccc3c2ccn3C)cc1 ZINC000588834381 398510613 /nfs/dbraw/zinc/51/06/13/398510613.db2.gz JHIFVKLGSZIVAA-UHFFFAOYSA-N -1 1 316.382 2.988 20 0 DFADMM COC(=O)[C@@H](c1ccccc1C)N1CCC[C@H](CC(=O)[O-])CC1 ZINC000592990510 398515460 /nfs/dbraw/zinc/51/54/60/398515460.db2.gz ZZWWYOPUKYAHAZ-WMLDXEAASA-N -1 1 319.401 2.786 20 0 DFADMM COCCOc1ccc(NC(=O)c2ccc(OC)cc2[O-])cc1 ZINC000031932096 398524515 /nfs/dbraw/zinc/52/45/15/398524515.db2.gz RZTUHRPLXRDMDC-UHFFFAOYSA-N -1 1 317.341 2.678 20 0 DFADMM O=c1[n-]c(CN(CCc2ccccc2)Cc2ccccc2)n[nH]1 ZINC000091516666 398534287 /nfs/dbraw/zinc/53/42/87/398534287.db2.gz YQDPWICYUAWOFY-UHFFFAOYSA-N -1 1 308.385 2.755 20 0 DFADMM CCCN(Cc1n[nH]c(=O)[n-]1)[C@@H](C)c1cc2ccccc2o1 ZINC000091541852 398535702 /nfs/dbraw/zinc/53/57/02/398535702.db2.gz NZNMGGYJFXEIFK-NSHDSACASA-N -1 1 300.362 2.817 20 0 DFADMM Cc1ccc(-c2noc(CN3CCC[C@@](C)(C(=O)[O-])C3)n2)cc1 ZINC000320605782 398548960 /nfs/dbraw/zinc/54/89/60/398548960.db2.gz YUXMVYJSLDBELJ-QGZVFWFLSA-N -1 1 315.373 2.732 20 0 DFADMM CCCCc1nnc([N-]C(=O)c2cc(F)cc3n[nH]nc32)s1 ZINC000277540276 213602981 /nfs/dbraw/zinc/60/29/81/213602981.db2.gz VIIUWESHVLQJPH-UHFFFAOYSA-N -1 1 320.353 2.543 20 0 DFADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000593151094 398559856 /nfs/dbraw/zinc/55/98/56/398559856.db2.gz SGOONOVEQJINFY-VIFPVBQESA-N -1 1 321.764 2.982 20 0 DFADMM O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@H]1CCCc2[nH]ncc21 ZINC000163691224 304005498 /nfs/dbraw/zinc/00/54/98/304005498.db2.gz VHOGGGSYNCRPKC-VIFPVBQESA-N -1 1 314.370 2.898 20 0 DFADMM COC(=O)NCc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000080028726 282617484 /nfs/dbraw/zinc/61/74/84/282617484.db2.gz IULPMVXHWAMBEW-UHFFFAOYSA-N -1 1 318.304 2.640 20 0 DFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCC[C@H](C)C1 ZINC000080540025 192165620 /nfs/dbraw/zinc/16/56/20/192165620.db2.gz ZFPTYPUNCKZWLR-JQWIXIFHSA-N -1 1 305.422 2.684 20 0 DFADMM CCCc1nnc([N-]C(=O)c2ccc(C(OC)OC)o2)s1 ZINC000287085716 219303042 /nfs/dbraw/zinc/30/30/42/219303042.db2.gz MHKZGBFOQHZYJL-UHFFFAOYSA-N -1 1 311.363 2.627 20 0 DFADMM CC1(C[N-]S(=O)(=O)c2sccc2Br)CCC1 ZINC000175696384 186189632 /nfs/dbraw/zinc/18/96/32/186189632.db2.gz BHMGURZAMXTPTE-UHFFFAOYSA-N -1 1 324.265 2.979 20 0 DFADMM CC(C)(C)OC(=O)[C@H](C(=O)Nc1ccc(F)cc1[O-])C1CC1 ZINC000597441956 398640982 /nfs/dbraw/zinc/64/09/82/398640982.db2.gz INNIOHPVSTVLPQ-ZDUSSCGKSA-N -1 1 309.337 2.838 20 0 DFADMM O=C([N-]c1cnoc1)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000590672362 398649518 /nfs/dbraw/zinc/64/95/18/398649518.db2.gz GIYFHTMIZHPGAO-UHFFFAOYSA-N -1 1 315.310 2.779 20 0 DFADMM O=C([O-])C[C@H](NCc1cccc2c1OCCO2)c1ccccc1 ZINC000277172246 213343208 /nfs/dbraw/zinc/34/32/08/213343208.db2.gz DVJONRUTGAIWEI-HNNXBMFYSA-N -1 1 313.353 2.763 20 0 DFADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CCC[C@H]2C)c1 ZINC000173157377 198190318 /nfs/dbraw/zinc/19/03/18/198190318.db2.gz YBYFDXKESBEOJC-GFCCVEGCSA-N -1 1 316.430 2.927 20 0 DFADMM CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1cncc([O-])c1 ZINC000174101309 198291931 /nfs/dbraw/zinc/29/19/31/198291931.db2.gz FKYGQXMXOVTMQV-UHFFFAOYSA-N -1 1 317.292 2.535 20 0 DFADMM CC(C)c1cccc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2)c1 ZINC000236791970 202011304 /nfs/dbraw/zinc/01/13/04/202011304.db2.gz CXIRPAOOAYJOMW-AWEZNQCLSA-N -1 1 304.390 2.545 20 0 DFADMM COc1ccc(CNCc2ccccc2CC(=O)[O-])c(OC)c1 ZINC000277026946 213248197 /nfs/dbraw/zinc/24/81/97/213248197.db2.gz PCSBKJVQVKDPPB-UHFFFAOYSA-N -1 1 315.369 2.621 20 0 DFADMM NC(=O)c1ccc(/C=C/C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000129641176 283023770 /nfs/dbraw/zinc/02/37/70/283023770.db2.gz ZQVAMEBZNHJSNO-FPYGCLRLSA-N -1 1 316.744 2.796 20 0 DFADMM 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Cc1cccc2[nH]cc(CC(=O)Nc3n[n-]c(C(F)(F)F)n3)c21 ZINC000103431726 425946733 /nfs/dbraw/zinc/94/67/33/425946733.db2.gz YUEHHIRYMPDFSD-UHFFFAOYSA-N -1 1 323.278 2.794 20 0 DFADMM CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccncc1[O-] ZINC000336887681 268450195 /nfs/dbraw/zinc/45/01/95/268450195.db2.gz DHUHQGWPVLYSMC-GFCCVEGCSA-N -1 1 300.358 2.740 20 0 DFADMM NC(=O)c1cccc(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000125149390 425955761 /nfs/dbraw/zinc/95/57/61/425955761.db2.gz QAEBHDQZZBBRLQ-UHFFFAOYSA-N -1 1 306.321 2.897 20 0 DFADMM Cc1ccc(F)cc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000070156470 425968542 /nfs/dbraw/zinc/96/85/42/425968542.db2.gz OQPJSRUMNYPWCZ-UHFFFAOYSA-N -1 1 315.347 2.695 20 0 DFADMM CC(=O)Nc1cc(Cl)ccc1NC(=O)c1ccc(O)cc1[O-] ZINC000105971626 425969612 /nfs/dbraw/zinc/96/96/12/425969612.db2.gz DSOZXIWXNGDCNL-UHFFFAOYSA-N -1 1 320.732 2.962 20 0 DFADMM Cc1ccn(-c2ccccc2NC(=O)c2ccc(O)cc2[O-])n1 ZINC000126760004 426035167 /nfs/dbraw/zinc/03/51/67/426035167.db2.gz HIJBYZAOJMXNTC-UHFFFAOYSA-N -1 1 309.325 2.844 20 0 DFADMM CC(C)c1nnc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)o1 ZINC000126969243 426044927 /nfs/dbraw/zinc/04/49/27/426044927.db2.gz XKDPCOMOCBYJKH-UHFFFAOYSA-N -1 1 320.296 3.000 20 0 DFADMM O=C(N[C@H](c1ccccc1)C1CC1)c1nc2ccccc2c(=O)[n-]1 ZINC000074273261 426045632 /nfs/dbraw/zinc/04/56/32/426045632.db2.gz MPVRQKAJOQVUBY-MRXNPFEDSA-N -1 1 319.364 2.804 20 0 DFADMM C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])C(=O)Nc1ccccc1 ZINC000112019587 426063597 /nfs/dbraw/zinc/06/35/97/426063597.db2.gz NFQIOSLLISHJCQ-SNVBAGLBSA-N -1 1 318.760 2.803 20 0 DFADMM CCOC(=O)C(C)(C)N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000112256796 426069116 /nfs/dbraw/zinc/06/91/16/426069116.db2.gz FSHFQQAKLJIQSK-UHFFFAOYSA-N -1 1 315.369 2.959 20 0 DFADMM O=S(=O)([N-]c1cc(O)cc(F)c1)c1ccc(Cl)cc1 ZINC000161290078 426016845 /nfs/dbraw/zinc/01/68/45/426016845.db2.gz OERYLZAHOLQBLD-UHFFFAOYSA-N -1 1 301.726 2.986 20 0 DFADMM COc1ccc(C(=O)Nc2cc(NC(C)=O)ccc2F)c([O-])c1 ZINC000128296773 426111336 /nfs/dbraw/zinc/11/13/36/426111336.db2.gz WSQOAKRZGHCAPP-UHFFFAOYSA-N -1 1 318.304 2.751 20 0 DFADMM Cc1ccc(-c2nc(CNC(=O)c3ncccc3[O-])co2)cc1 ZINC000128922326 426138372 /nfs/dbraw/zinc/13/83/72/426138372.db2.gz DGEHVZMBAZGUJZ-UHFFFAOYSA-N -1 1 309.325 2.681 20 0 DFADMM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cc(F)ccc1Cl ZINC000076937284 426117685 /nfs/dbraw/zinc/11/76/85/426117685.db2.gz KVECRHJUEYPKDQ-JTQLQIEISA-N -1 1 307.774 2.790 20 0 DFADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC[C@]2(CC=CCC2)C1 ZINC000114513793 426138569 /nfs/dbraw/zinc/13/85/69/426138569.db2.gz WHZPLCSUJOIQMY-LJQANCHMSA-N -1 1 323.396 2.886 20 0 DFADMM CCC1(CNC(=O)c2c(C)[n-]c(=O)nc2SC)CCCC1 ZINC000128879752 426137059 /nfs/dbraw/zinc/13/70/59/426137059.db2.gz FTIYDDFIUYKOTE-UHFFFAOYSA-N -1 1 309.435 2.500 20 0 DFADMM C[C@@H](NC(=O)c1c([O-])cnc2ccc(Cl)cc21)[C@@H]1CCCO1 ZINC000338340057 268659712 /nfs/dbraw/zinc/65/97/12/268659712.db2.gz VYUIZRUDQVVTSK-OTYXRUKQSA-N -1 1 320.776 2.891 20 0 DFADMM O=S(=O)([N-]CC[C@H]1CCCCO1)c1c(F)cccc1Cl ZINC000133356053 426175287 /nfs/dbraw/zinc/17/52/87/426175287.db2.gz IGPFHKRGZKMVKE-SNVBAGLBSA-N -1 1 321.801 2.717 20 0 DFADMM O=C(NCCCCOCCc1ccccc1)c1ncccc1[O-] ZINC000171262070 426179985 /nfs/dbraw/zinc/17/99/85/426179985.db2.gz ZMYSQYBYISKTRX-UHFFFAOYSA-N -1 1 314.385 2.557 20 0 DFADMM Cc1noc([N-]C(=O)c2csc(Cc3ccccc3F)n2)n1 ZINC000117761528 426221950 /nfs/dbraw/zinc/22/19/50/426221950.db2.gz AXAGOLQFSVHXTF-UHFFFAOYSA-N -1 1 318.333 2.817 20 0 DFADMM O=C(Nc1nnc(C(F)(F)F)s1)c1cc(F)ccc1[O-] ZINC000081937733 426226785 /nfs/dbraw/zinc/22/67/85/426226785.db2.gz YVIMEMLWWSSJCQ-UHFFFAOYSA-N -1 1 307.228 2.654 20 0 DFADMM CCC[C@H]1[C@H](C)CCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000173279663 426238249 /nfs/dbraw/zinc/23/82/49/426238249.db2.gz ZYFKXBSXRNFYPZ-DOMZBBRYSA-N -1 1 313.401 2.964 20 0 DFADMM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cc(Cl)ccc1[O-] ZINC000173451172 426240164 /nfs/dbraw/zinc/24/01/64/426240164.db2.gz KPPCWNUQJNQEIR-SECBINFHSA-N -1 1 321.808 2.757 20 0 DFADMM CCC[C@H](NC(=O)C[C@@H](c1ccccc1)C(C)C)c1nn[n-]n1 ZINC000136718906 426244488 /nfs/dbraw/zinc/24/44/88/426244488.db2.gz UQCXVKRCXAGWDM-CABCVRRESA-N -1 1 315.421 2.987 20 0 DFADMM CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000137057405 426250233 /nfs/dbraw/zinc/25/02/33/426250233.db2.gz YQPUONIMDAQQKD-NSHDSACASA-N -1 1 323.364 2.725 20 0 DFADMM CCc1nc(S(=O)(=O)Cc2ccc(C(C)(C)C)cc2)n[n-]1 ZINC000086170452 426255317 /nfs/dbraw/zinc/25/53/17/426255317.db2.gz KCWYHACOESZKPF-UHFFFAOYSA-N -1 1 307.419 2.639 20 0 DFADMM Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1ncccc1[O-] ZINC000119093175 426261837 /nfs/dbraw/zinc/26/18/37/426261837.db2.gz HFDOIJACRIEHMV-SNVBAGLBSA-N -1 1 302.378 2.538 20 0 DFADMM CC(C)Oc1ccc(CNC(=O)c2cc(F)ccc2[O-])cn1 ZINC000080003178 426208862 /nfs/dbraw/zinc/20/88/62/426208862.db2.gz LXBSIVHCAMYGRU-UHFFFAOYSA-N -1 1 304.321 2.644 20 0 DFADMM O=C(c1cncc([O-])c1)N1CCc2cc(Br)ccc21 ZINC000171766328 426209900 /nfs/dbraw/zinc/20/99/00/426209900.db2.gz PLQWQFHDNVTNMW-UHFFFAOYSA-N -1 1 319.158 2.753 20 0 DFADMM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(F)c2F)C1 ZINC000117374463 426212933 /nfs/dbraw/zinc/21/29/33/426212933.db2.gz GVXPHWSKRZOKKM-ZJUUUORDSA-N -1 1 321.414 2.917 20 0 DFADMM CC[C@H](C)NC(=O)CCNC(=O)c1ccc2ccccc2c1[O-] ZINC000080430911 426214052 /nfs/dbraw/zinc/21/40/52/426214052.db2.gz ILZGGRXYNWWXBM-LBPRGKRZSA-N -1 1 314.385 2.580 20 0 DFADMM CCc1nnc([N-]C(=O)c2cnc([C@H]3CCCO3)s2)s1 ZINC000089660490 426301764 /nfs/dbraw/zinc/30/17/64/426301764.db2.gz OPQQLVFTPXDMMT-SSDOTTSWSA-N -1 1 310.404 2.661 20 0 DFADMM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccsc1 ZINC000089750292 426305540 /nfs/dbraw/zinc/30/55/40/426305540.db2.gz SOEQITGVQYMVLG-UHFFFAOYSA-N -1 1 315.347 2.695 20 0 DFADMM CC[C@@H](CSC)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000091045740 426336224 /nfs/dbraw/zinc/33/62/24/426336224.db2.gz FCLWWPWHADHCRF-JTQLQIEISA-N -1 1 305.403 2.549 20 0 DFADMM O=C(NCc1cn2cc(Cl)ccc2n1)c1c([O-])cccc1F ZINC000119368250 426282804 /nfs/dbraw/zinc/28/28/04/426282804.db2.gz XFKBCLNSHVXAGG-UHFFFAOYSA-N -1 1 319.723 2.762 20 0 DFADMM Cn1ccnc1-c1cc(NC(=O)c2ccc(Cl)cc2F)[nH]n1 ZINC000119412402 426286573 /nfs/dbraw/zinc/28/65/73/426286573.db2.gz JYNSUUMVBVDTNW-UHFFFAOYSA-N -1 1 319.727 2.855 20 0 DFADMM CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@H](c3nc(C)cs3)C2)n1 ZINC000119428811 426287310 /nfs/dbraw/zinc/28/73/10/426287310.db2.gz GENOOEWVUJYUBT-LBPRGKRZSA-N -1 1 318.446 2.889 20 0 DFADMM C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000092760424 426351335 /nfs/dbraw/zinc/35/13/35/426351335.db2.gz INDQOWDLJSWCST-NSHDSACASA-N -1 1 303.333 2.940 20 0 DFADMM COCc1ccccc1NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000121855870 426354897 /nfs/dbraw/zinc/35/48/97/426354897.db2.gz AEMJXUITEYCJOJ-UHFFFAOYSA-N -1 1 314.341 2.749 20 0 DFADMM CNC(=O)c1ccc(NC(=O)c2cc(F)ccc2[O-])cc1Cl ZINC000094032941 426359882 /nfs/dbraw/zinc/35/98/82/426359882.db2.gz MXOCNHLCUBETNX-UHFFFAOYSA-N -1 1 322.723 2.797 20 0 DFADMM CCCCN(C)S(=O)(=O)[N-]c1cc(-c2cccs2)[nH]n1 ZINC000153198986 426374955 /nfs/dbraw/zinc/37/49/55/426374955.db2.gz UBWNQWCTVCVAOL-UHFFFAOYSA-N -1 1 314.436 2.527 20 0 DFADMM O=C(N[C@H](c1ccccc1)c1ccccn1)c1ncccc1[O-] ZINC000122726272 426390725 /nfs/dbraw/zinc/39/07/25/426390725.db2.gz HHYQCSXDASNTHO-MRXNPFEDSA-N -1 1 305.337 2.702 20 0 DFADMM CCC[C@@H](NC(=O)Cc1ccc(CC(C)C)cc1)c1nn[n-]n1 ZINC000176750973 426412075 /nfs/dbraw/zinc/41/20/75/426412075.db2.gz PGWFLMWAIFUKPO-OAHLLOKOSA-N -1 1 315.421 2.598 20 0 DFADMM CCC[C@@H](NC(=O)c1cccc(Cl)c1Cl)c1nn[n-]n1 ZINC000176769267 426412197 /nfs/dbraw/zinc/41/21/97/426412197.db2.gz NNZBMURECUPWPS-SECBINFHSA-N -1 1 314.176 2.778 20 0 DFADMM CCC[C@H](NC(=O)Cc1cccc2ccccc21)c1nn[n-]n1 ZINC000176772880 426414033 /nfs/dbraw/zinc/41/40/33/426414033.db2.gz RGCBUBHQFFMNCE-HNNXBMFYSA-N -1 1 309.373 2.553 20 0 DFADMM O=C(CN1CCC[C@@H](C(F)(F)F)C1)[N-]OCc1ccccc1 ZINC000176885461 426421611 /nfs/dbraw/zinc/42/16/11/426421611.db2.gz HDSXNHMOTSEWSN-CYBMUJFWSA-N -1 1 316.323 2.509 20 0 DFADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000123356947 426428156 /nfs/dbraw/zinc/42/81/56/426428156.db2.gz XKPZZZIZXHQWKD-GXSJLCMTSA-N -1 1 323.698 2.573 20 0 DFADMM CC(C)COCCC[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000340723106 269004626 /nfs/dbraw/zinc/00/46/26/269004626.db2.gz BYBPXJUTFCAKBD-UHFFFAOYSA-N -1 1 323.817 2.820 20 0 DFADMM CCc1ccc(C=CC(=O)Nc2n[n-]c(C(F)(F)F)n2)o1 ZINC000122963769 426407039 /nfs/dbraw/zinc/40/70/39/426407039.db2.gz BKBFXRSTDUZUQU-AATRIKPKSA-N -1 1 300.240 2.631 20 0 DFADMM O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1ccc2ccccc2c1[O-] ZINC000097271168 426463410 /nfs/dbraw/zinc/46/34/10/426463410.db2.gz JAFNEGIGUBZHRH-QZTJIDSGSA-N -1 1 319.360 2.934 20 0 DFADMM O=C(NCC1(Cc2ccccc2)CC1)C(=O)c1ccc([O-])cc1 ZINC000288138689 426512205 /nfs/dbraw/zinc/51/22/05/426512205.db2.gz KRYWWDJUPALZSU-UHFFFAOYSA-N -1 1 309.365 2.714 20 0 DFADMM O=S(=O)([N-][C@H]1CCCOC1)c1cc(Cl)sc1Cl ZINC000264404215 426548314 /nfs/dbraw/zinc/54/83/14/426548314.db2.gz RGEPRBAQRINREK-LURJTMIESA-N -1 1 316.231 2.512 20 0 DFADMM CCC[C@@H](NC(=O)CCc1ccc(C(C)C)cc1)c1nn[n-]n1 ZINC000177651425 426500918 /nfs/dbraw/zinc/50/09/18/426500918.db2.gz BFBBSWSXBDPVQG-OAHLLOKOSA-N -1 1 315.421 2.913 20 0 DFADMM CC(=O)N[C@H](CC1CCC1)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000289106834 426584349 /nfs/dbraw/zinc/58/43/49/426584349.db2.gz PDDKPFNNIASBQZ-CYBMUJFWSA-N -1 1 319.336 2.949 20 0 DFADMM CC[C@@H](O)[C@@H]1CCCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000265194922 426595059 /nfs/dbraw/zinc/59/50/59/426595059.db2.gz IXYFOAGVJWWYOA-NWDGAFQWSA-N -1 1 307.419 2.522 20 0 DFADMM Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2C)OCO3)c(C)n1 ZINC000280363649 426558593 /nfs/dbraw/zinc/55/85/93/426558593.db2.gz UCXSNINXQMLYFU-UHFFFAOYSA-N -1 1 320.370 2.536 20 0 DFADMM CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1c(F)ccc([O-])c1F ZINC000280696264 426636493 /nfs/dbraw/zinc/63/64/93/426636493.db2.gz ADQDIKPBQOZIPU-BMIGLBTASA-N -1 1 313.344 2.851 20 0 DFADMM Cc1nc(C)c([C@@H](C)N(C)C(=O)C(=O)c2ccc([O-])cc2)s1 ZINC000280697116 426637490 /nfs/dbraw/zinc/63/74/90/426637490.db2.gz DYSLAAOTUWHHPA-SNVBAGLBSA-N -1 1 318.398 2.868 20 0 DFADMM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000265563936 426654501 /nfs/dbraw/zinc/65/45/01/426654501.db2.gz ZBJPPHIOAUUUJZ-DMDKVIGKSA-N -1 1 317.410 2.527 20 0 DFADMM CCC[C@@H](NC(=O)c1csc2cc(C)ccc12)c1nn[n-]n1 ZINC000280836903 426667805 /nfs/dbraw/zinc/66/78/05/426667805.db2.gz PVNXSCGPZYABED-GFCCVEGCSA-N -1 1 315.402 2.994 20 0 DFADMM COC(=O)c1cnc(S[C@H](C)C(=O)c2ccc(F)cc2)[n-]1 ZINC000187587308 426673688 /nfs/dbraw/zinc/67/36/88/426673688.db2.gz XPCQEUBRLRKPGE-MRVPVSSYSA-N -1 1 308.334 2.699 20 0 DFADMM COC(=O)c1c[n-]c(S[C@H](C)C(=O)c2ccc(F)cc2)n1 ZINC000187587308 426673692 /nfs/dbraw/zinc/67/36/92/426673692.db2.gz XPCQEUBRLRKPGE-MRVPVSSYSA-N -1 1 308.334 2.699 20 0 DFADMM O=C(C(=O)N1CCC[C@H]1Cc1ccccc1)c1ccc([O-])cc1 ZINC000280879670 426676130 /nfs/dbraw/zinc/67/61/30/426676130.db2.gz YOAYYTBDTXFOQW-INIZCTEOSA-N -1 1 309.365 2.809 20 0 DFADMM Cc1cccnc1[C@H](NC(=O)C(=O)c1ccc([O-])cc1)C(C)C ZINC000280899029 426680771 /nfs/dbraw/zinc/68/07/71/426680771.db2.gz HLAINBWCMPSSIE-OAHLLOKOSA-N -1 1 312.369 2.792 20 0 DFADMM CC(=O)Nc1cccc([C@@H](C)[N-]C(=O)C(F)(F)C(F)F)c1 ZINC000226603191 426622401 /nfs/dbraw/zinc/62/24/01/426622401.db2.gz BWIQGMURZAOBHH-SSDOTTSWSA-N -1 1 306.259 2.723 20 0 DFADMM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000187050738 426624411 /nfs/dbraw/zinc/62/44/11/426624411.db2.gz XDPRNPMCIWANCJ-UHFFFAOYSA-N -1 1 323.345 2.838 20 0 DFADMM COc1ccccc1S(=O)(=O)[N-]c1c(F)cccc1OC ZINC000187050432 426624691 /nfs/dbraw/zinc/62/46/91/426624691.db2.gz ANPFPMFLTCXZCX-UHFFFAOYSA-N -1 1 311.334 2.644 20 0 DFADMM CCC(C)(C)N(C)C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000265393957 426628337 /nfs/dbraw/zinc/62/83/37/426628337.db2.gz FCHUWCUFQDVOND-UHFFFAOYSA-N -1 1 311.451 2.792 20 0 DFADMM Cc1cccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)c1 ZINC000178828323 426703862 /nfs/dbraw/zinc/70/38/62/426703862.db2.gz OTSYVTBGUXTAKE-UHFFFAOYSA-N -1 1 314.370 2.581 20 0 DFADMM O=C([O-])Cc1cccc(NC(=O)c2cc(-c3ccco3)n[nH]2)c1 ZINC000238128290 426711326 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309.366 2.844 20 0 DFADMM Cn1[n-]cc2c(=NC(=O)/C=C/Sc3ccccc3)ccnc1-2 ZINC000493063904 429680228 /nfs/dbraw/zinc/68/02/28/429680228.db2.gz RHRBGGJNESCOFK-MQPCXGDBSA-N -1 1 310.382 2.586 20 0 DFADMM O=C(c1c(F)ccc([O-])c1F)N1CCOCC2(CCCC2)C1 ZINC000367684294 429700311 /nfs/dbraw/zinc/70/03/11/429700311.db2.gz KOKZPZNOSCPONC-UHFFFAOYSA-N -1 1 311.328 2.703 20 0 DFADMM Cc1sc2[nH]c([C@@H](C)N(C)CCCC(=O)[O-])nc(=O)c2c1C ZINC000430651451 429705658 /nfs/dbraw/zinc/70/56/58/429705658.db2.gz GICOFDHQXSAPOW-SECBINFHSA-N -1 1 323.418 2.871 20 0 DFADMM CCc1ccc(-c2noc(CN(C)CCCC(=O)[O-])n2)cc1 ZINC000430663912 429707620 /nfs/dbraw/zinc/70/76/20/429707620.db2.gz NCLPZTOPICVMJJ-UHFFFAOYSA-N -1 1 303.362 2.596 20 0 DFADMM CC(C)(CN=c1nc(C(F)(F)F)[n-]s1)C1(O)CCCC1 ZINC000450916628 429728706 /nfs/dbraw/zinc/72/87/06/429728706.db2.gz WETWKLAMUVDFKT-UHFFFAOYSA-N -1 1 309.357 2.722 20 0 DFADMM CC(C)(C)OC(=O)CCCCN1CCCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000450983739 429743791 /nfs/dbraw/zinc/74/37/91/429743791.db2.gz 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CCCc1[n-]n(-c2ccc(S(C)(=O)=O)cc2)c(=O)c1CC ZINC000634588420 430044890 /nfs/dbraw/zinc/04/48/90/430044890.db2.gz SAFDAJJSTBKESW-ZDUSSCGKSA-N -1 1 308.403 2.619 20 0 DFADMM CC(C)c1c(Cc2ccccc2)[n-]n(C[C@H]2CCCO2)c1=O ZINC000634598553 430048213 /nfs/dbraw/zinc/04/82/13/430048213.db2.gz NNYALFGVJNGOBT-WBVHZDCISA-N -1 1 300.402 2.879 20 0 DFADMM C[C@H]1CCN(Cc2nc3cc(Cl)ccc3n2C)C[C@@H]1C(=O)[O-] ZINC000574157276 430016469 /nfs/dbraw/zinc/01/64/69/430016469.db2.gz VESJBXGOFHBITQ-JQWIXIFHSA-N -1 1 321.808 2.769 20 0 DFADMM Cc1cnccc1CCN(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000574154546 430016681 /nfs/dbraw/zinc/01/66/81/430016681.db2.gz VWOKVXDPBCUYRE-UHFFFAOYSA-N -1 1 314.414 2.775 20 0 DFADMM CNC(=O)C1(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CC1 ZINC000529539361 430024263 /nfs/dbraw/zinc/02/42/63/430024263.db2.gz REWOXXNBJQSARB-UHFFFAOYSA-N -1 1 318.760 2.664 20 0 DFADMM CO[C@]1(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CCOC1 ZINC000529538639 430024314 /nfs/dbraw/zinc/02/43/14/430024314.db2.gz IAEOVTPIYRRNNO-MRXNPFEDSA-N 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/nfs/dbraw/zinc/05/55/18/430055518.db2.gz KNHLKDNJMFKFKV-KRWDZBQOSA-N -1 1 320.396 2.615 20 0 DFADMM C[C@H](CCc1ccc2c(c1)OCO2)n1[n-]c2c(c1=O)CC[C@H]2C ZINC000634626485 430057286 /nfs/dbraw/zinc/05/72/86/430057286.db2.gz GAYMOQPTDFISHQ-BZPMIXESSA-N -1 1 314.385 2.981 20 0 DFADMM COc1ccc(Br)c(Cn2[n-]c3c(c2=O)CCC3)c1 ZINC000634623963 430058058 /nfs/dbraw/zinc/05/80/58/430058058.db2.gz UDXLYAWBTYWZQQ-LLVKDONJSA-N -1 1 323.190 2.956 20 0 DFADMM C[C@@H](CCc1ccc2c(c1)OCO2)n1[n-]c2c(c1=O)CC[C@H]2C ZINC000634626486 430058102 /nfs/dbraw/zinc/05/81/02/430058102.db2.gz GAYMOQPTDFISHQ-DYEKYZERSA-N -1 1 314.385 2.981 20 0 DFADMM CCc1c(=O)n([C@@H]2CCSC2)[n-]c1-c1cccc(OC)c1 ZINC000634628004 430058366 /nfs/dbraw/zinc/05/83/66/430058366.db2.gz PEFRZNLAUBVHOX-OCCSQVGLSA-N -1 1 304.415 2.773 20 0 DFADMM COc1ccc(Br)c(Cn2[n-]c3c(c2=O)CCC3)c1 ZINC000634623964 430058400 /nfs/dbraw/zinc/05/84/00/430058400.db2.gz UDXLYAWBTYWZQQ-NSHDSACASA-N -1 1 323.190 2.956 20 0 DFADMM CCc1c(C)[n-]n(-c2cc(CO)ccc2Br)c1=O 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CCC1(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)COC1 ZINC000581052934 430174315 /nfs/dbraw/zinc/17/43/15/430174315.db2.gz RNXCKMCJVIXZNA-UHFFFAOYSA-N -1 1 314.389 2.700 20 0 DFADMM CC(C)c1nn(C)cc1[N-]S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000562736434 430174856 /nfs/dbraw/zinc/17/48/56/430174856.db2.gz YLBLLXBKGYLYHY-DZGCQCFKSA-N -1 1 319.430 2.841 20 0 DFADMM COc1cc(C(=O)Nc2cn(C)nc2C2CC2)cc(Cl)c1[O-] ZINC000562363332 430123421 /nfs/dbraw/zinc/12/34/21/430123421.db2.gz SFNZXTIMSUQUQU-UHFFFAOYSA-N -1 1 321.764 2.917 20 0 DFADMM CC(C)COc1cc([N-]C(=O)c2ocnc2C(F)F)ncn1 ZINC000637763429 430127582 /nfs/dbraw/zinc/12/75/82/430127582.db2.gz KETXNCFSSKUKMM-UHFFFAOYSA-N -1 1 312.276 2.689 20 0 DFADMM O=S(=O)([N-]C1(CF)CCC1)c1cc2cc(F)ccc2o1 ZINC000580558513 430134357 /nfs/dbraw/zinc/13/43/57/430134357.db2.gz JDNYKWUMYZEGHO-UHFFFAOYSA-N -1 1 301.314 2.742 20 0 DFADMM O=C(NCc1cn(C2CCC2)nn1)c1cc2ccccc2cc1[O-] ZINC000640539587 430195450 /nfs/dbraw/zinc/19/54/50/430195450.db2.gz VSIHURVRZGRZOE-UHFFFAOYSA-N -1 1 322.368 2.792 20 0 DFADMM Cc1ccc(-c2noc(CN(C[C@H](C)C(=O)[O-])C3CC3)n2)cc1 ZINC000581434697 430207084 /nfs/dbraw/zinc/20/70/84/430207084.db2.gz IMTGYWMOHRNXPP-LBPRGKRZSA-N -1 1 315.373 2.730 20 0 DFADMM Cn1nc(C(=O)[O-])cc1CN1CCC(c2ccsc2)CC1 ZINC000635311657 430252508 /nfs/dbraw/zinc/25/25/08/430252508.db2.gz VKERGLVXJUWFSN-UHFFFAOYSA-N -1 1 305.403 2.559 20 0 DFADMM C[C@H](c1cn(-c2ccccc2)nn1)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000566357638 430254337 /nfs/dbraw/zinc/25/43/37/430254337.db2.gz GSTUDJIRAKUHSS-DYVFJYSZSA-N -1 1 314.389 2.515 20 0 DFADMM Cn1c(CN2CCC[C@H](C(=O)[O-])C2)nc2ccc(Cl)cc21 ZINC000635322550 430255493 /nfs/dbraw/zinc/25/54/93/430255493.db2.gz WKDHSKDHLBXTHQ-JTQLQIEISA-N -1 1 307.781 2.523 20 0 DFADMM CO[C@@H](C)c1nc(CN(CCC(=O)[O-])CC(C)C)cs1 ZINC000566362582 430256041 /nfs/dbraw/zinc/25/60/41/430256041.db2.gz UWCRJJXERHKUMS-NSHDSACASA-N -1 1 300.424 2.783 20 0 DFADMM CCCOc1ccc(NC(=O)CCCc2nn[n-]n2)cc1Cl ZINC000635389836 430265703 /nfs/dbraw/zinc/26/57/03/430265703.db2.gz SFLLYFIZZITOPI-UHFFFAOYSA-N -1 1 323.784 2.603 20 0 DFADMM Cc1ccc([C@H]2CCCN2C(=O)CCCc2nn[n-]n2)cc1C ZINC000635426683 430276293 /nfs/dbraw/zinc/27/62/93/430276293.db2.gz ZGCNIFGEPPUOKZ-OAHLLOKOSA-N -1 1 313.405 2.503 20 0 DFADMM CCCCN(C(=O)CCCc1nn[n-]n1)[C@@H](C)c1ccccc1 ZINC000635446883 430280990 /nfs/dbraw/zinc/28/09/90/430280990.db2.gz ODGDGGOWHXEEKK-AWEZNQCLSA-N -1 1 315.421 2.912 20 0 DFADMM CSc1nc(CNC(=O)[C@H]2CCCCC2(C)C)cc(=O)[n-]1 ZINC000640655984 430226786 /nfs/dbraw/zinc/22/67/86/430226786.db2.gz UFBYEOSPEJSPAW-LLVKDONJSA-N -1 1 309.435 2.737 20 0 DFADMM CSc1nc(CNC(=O)C2C[C@@H](C)C[C@H](C)C2)cc(=O)[n-]1 ZINC000640656866 430226940 /nfs/dbraw/zinc/22/69/40/430226940.db2.gz WDBVIRSQDDFJNO-UWVGGRQHSA-N -1 1 309.435 2.593 20 0 DFADMM CSc1nc(CNC(=O)CC2(C)CCCCC2)cc(=O)[n-]1 ZINC000640656825 430227488 /nfs/dbraw/zinc/22/74/88/430227488.db2.gz UNJZCXHJPBYKNH-UHFFFAOYSA-N -1 1 309.435 2.881 20 0 DFADMM CSc1nc(CNC(=O)C[C@H]2CCC[C@H](C)C2)cc(=O)[n-]1 ZINC000640659546 430228340 /nfs/dbraw/zinc/22/83/40/430228340.db2.gz YSGPTMVJLWIYPH-QWRGUYRKSA-N -1 1 309.435 2.737 20 0 DFADMM CSc1nc(CNC(=O)[C@H](C)CC2CCCC2)cc(=O)[n-]1 ZINC000640657547 430228941 /nfs/dbraw/zinc/22/89/41/430228941.db2.gz GRSAYYBRLGCBFI-SNVBAGLBSA-N -1 1 309.435 2.737 20 0 DFADMM C[C@@H]1C[N@@H+](Cc2csc(-c3ccoc3)n2)C[C@@]1(C)C(=O)[O-] ZINC000566073959 430239274 /nfs/dbraw/zinc/23/92/74/430239274.db2.gz KNSJEDKYXOKQOW-MEBBXXQBSA-N -1 1 306.387 2.946 20 0 DFADMM Cc1ccccc1-c1noc([C@@H](C)[N@H+]2CC[C@](C)(C(=O)[O-])C2)n1 ZINC000566075160 430239377 /nfs/dbraw/zinc/23/93/77/430239377.db2.gz WYVDSJSXYVIIDI-PXAZEXFGSA-N -1 1 315.373 2.903 20 0 DFADMM Cc1ccccc1OCCN(C)Cc1ccc(C(=O)[O-])cn1 ZINC000567905851 430293179 /nfs/dbraw/zinc/29/31/79/430293179.db2.gz UDGCBLUIEZJOJY-UHFFFAOYSA-N -1 1 300.358 2.599 20 0 DFADMM O=C(C(=O)N1CC[C@](F)(c2ccccc2)C1)c1ccc([O-])cc1 ZINC000582439491 430301633 /nfs/dbraw/zinc/30/16/33/430301633.db2.gz NYTAOJGMFULBIM-GOSISDBHSA-N -1 1 313.328 2.672 20 0 DFADMM O=C([O-])CCN(Cc1cc(F)ccc1Cl)C[C@H]1CCCO1 ZINC000568058269 430311731 /nfs/dbraw/zinc/31/17/31/430311731.db2.gz LOEFXBXTJQZLDD-CYBMUJFWSA-N -1 1 315.772 2.935 20 0 DFADMM Cc1noc(C2CCN(Cc3ccc(C(=O)[O-])cc3F)CC2)n1 ZINC000582671161 430320555 /nfs/dbraw/zinc/32/05/55/430320555.db2.gz IGIBHMNZVIHOIN-UHFFFAOYSA-N -1 1 319.336 2.595 20 0 DFADMM O=C([O-])c1cnoc1C[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000583090071 430362835 /nfs/dbraw/zinc/36/28/35/430362835.db2.gz YFKNUWCTCIRIMM-CQSZACIVSA-N -1 1 300.358 2.970 20 0 DFADMM Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1occc1C(=O)[O-] ZINC000583090011 430362956 /nfs/dbraw/zinc/36/29/56/430362956.db2.gz WRRGEZZVIUFESL-YHWZYXNKSA-N -1 1 315.373 2.622 20 0 DFADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cccc(C2CCC2)c1 ZINC000547394291 430389741 /nfs/dbraw/zinc/38/97/41/430389741.db2.gz MVGCFUZTEZNAKA-UHFFFAOYSA-N -1 1 311.389 2.667 20 0 DFADMM Cc1cccc(-c2noc(CN3C[C@@H](C(=O)[O-])CC[C@@H]3C)n2)c1 ZINC000568983043 430410762 /nfs/dbraw/zinc/41/07/62/430410762.db2.gz BIOLXRDZCVFMRV-JSGCOSHPSA-N -1 1 315.373 2.730 20 0 DFADMM CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1cccc2cc[nH]c21 ZINC000641685155 430441952 /nfs/dbraw/zinc/44/19/52/430441952.db2.gz JCGSHBCVLOPXDZ-UONOGXRCSA-N -1 1 308.403 2.867 20 0 DFADMM C[C@H]([N-]S(=O)(=O)Cc1ccccc1C(F)(F)F)C(F)F ZINC000641700835 430446179 /nfs/dbraw/zinc/44/61/79/430446179.db2.gz BJFJKVOXGZDQME-ZETCQYMHSA-N -1 1 317.279 2.778 20 0 DFADMM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(F)F ZINC000641706420 430447241 /nfs/dbraw/zinc/44/72/41/430447241.db2.gz UMLFVGCYBDMUPY-BYPYZUCNSA-N -1 1 309.281 2.699 20 0 DFADMM CSc1cc(NC(=O)CCCc2nn[n-]n2)ccc1Cl ZINC000636045014 430448686 /nfs/dbraw/zinc/44/86/86/430448686.db2.gz VYBNVYZPYVBUSB-UHFFFAOYSA-N -1 1 311.798 2.536 20 0 DFADMM O=C(Nc1nc(-c2cc3ccccc3o2)n[nH]1)[C@@H]1CCC(=O)C1 ZINC000583997102 430449144 /nfs/dbraw/zinc/44/91/44/430449144.db2.gz UCFHNBAPZNGELQ-SNVBAGLBSA-N -1 1 310.313 2.526 20 0 DFADMM CCc1nc(S[C@@H](C)C(=O)NC2CCCC2)[n-]c(=O)c1C ZINC000569473271 430456211 /nfs/dbraw/zinc/45/62/11/430456211.db2.gz XSBJVFTXFZNQFL-JTQLQIEISA-N -1 1 309.435 2.592 20 0 DFADMM Cc1n[nH]cc1CN(C)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000636069111 430456328 /nfs/dbraw/zinc/45/63/28/430456328.db2.gz BIZYIHVSEGKYAX-UHFFFAOYSA-N -1 1 313.279 2.715 20 0 DFADMM CSc1nc(C)c(CCC(=O)NCC2CC(C)(C)C2)c(=O)[n-]1 ZINC000548385061 430468195 /nfs/dbraw/zinc/46/81/95/430468195.db2.gz VWJFAABFNCSAJW-UHFFFAOYSA-N -1 1 323.462 2.698 20 0 DFADMM CC(C)c1nc(=NC[C@@H]2CCN(c3ccccc3F)C2)o[n-]1 ZINC000569637187 430471850 /nfs/dbraw/zinc/47/18/50/430471850.db2.gz OHIWTYYRVIXPSM-LBPRGKRZSA-N -1 1 304.369 2.692 20 0 DFADMM Cn1cc(C2=CCCN(C(=O)c3ccc(Cl)cc3[O-])C2)cn1 ZINC000636163422 430477468 /nfs/dbraw/zinc/47/74/68/430477468.db2.gz IRFPRJLAYBGYPB-UHFFFAOYSA-N -1 1 317.776 2.709 20 0 DFADMM CCOc1cc(C(=O)N[C@@H](C)c2cnccn2)cc(Cl)c1[O-] ZINC000636161067 430478168 /nfs/dbraw/zinc/47/81/68/430478168.db2.gz OVLAACYTKPNRGD-VIFPVBQESA-N -1 1 321.764 2.725 20 0 DFADMM CCCCN(C(=O)CCCc1nn[n-]n1)[C@H]1CCC[C@@H](C)C1 ZINC000635968225 430424508 /nfs/dbraw/zinc/42/45/08/430424508.db2.gz VUICULVJAANUDA-KGLIPLIRSA-N -1 1 307.442 2.730 20 0 DFADMM O=C([O-])[C@@H]1CN(CCCSc2ccccc2Cl)CCO1 ZINC000583818193 430430253 /nfs/dbraw/zinc/43/02/53/430430253.db2.gz QKCMQUIZZBWSSU-LBPRGKRZSA-N -1 1 315.822 2.608 20 0 DFADMM O=C(CCCc1nn[n-]n1)Nc1cccc(NC2CCCC2)c1 ZINC000636242965 430493605 /nfs/dbraw/zinc/49/36/05/430493605.db2.gz CXPMFMDBSNFDFR-UHFFFAOYSA-N -1 1 314.393 2.516 20 0 DFADMM COCCn1c(C)c(C)nc1SCC(=O)c1ccc([O-])cc1 ZINC000642234237 430506007 /nfs/dbraw/zinc/50/60/07/430506007.db2.gz KZEXBUTZXICPLW-UHFFFAOYSA-N -1 1 320.414 2.827 20 0 DFADMM CC(C)(C)c1cc(C(=O)[N-]c2nnc([C@H]3CCCO3)s2)no1 ZINC000636355992 430522186 /nfs/dbraw/zinc/52/21/86/430522186.db2.gz SFTIQWGLINHXQZ-SECBINFHSA-N -1 1 322.390 2.927 20 0 DFADMM CCc1nc(C)c(C(=O)[N-]c2nnc([C@H]3CCCO3)s2)o1 ZINC000636358421 430523771 /nfs/dbraw/zinc/52/37/71/430523771.db2.gz SFSHXWYRCMUUEQ-MRVPVSSYSA-N -1 1 308.363 2.501 20 0 DFADMM C[C@H]1C[C@H](CO)CCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000636397213 430534703 /nfs/dbraw/zinc/53/47/03/430534703.db2.gz YEIROZHEILBXEX-VHSXEESVSA-N -1 1 317.307 2.644 20 0 DFADMM Cc1cnc(SCc2csc(N(C)C3CC3)n2)[n-]c1=O ZINC000570816248 430579156 /nfs/dbraw/zinc/57/91/56/430579156.db2.gz KRIQPJLZRSYIIO-UHFFFAOYSA-N -1 1 308.432 2.838 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@H]1CCC[C@H]1C1CC1 ZINC000571741772 430650179 /nfs/dbraw/zinc/65/01/79/430650179.db2.gz JQUUXFKUXCAPMY-RYUDHWBXSA-N -1 1 321.446 2.769 20 0 DFADMM O=C(NCCc1ccc(F)c(F)c1)c1c(F)ccc([O-])c1F ZINC000554897189 430655396 /nfs/dbraw/zinc/65/53/96/430655396.db2.gz UQCXIHLSCWXOJT-UHFFFAOYSA-N -1 1 313.250 2.921 20 0 DFADMM CCCc1cc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])n[nH]1 ZINC000622363797 430610672 /nfs/dbraw/zinc/61/06/72/430610672.db2.gz ABHPCQGBQKUEMV-UHFFFAOYSA-N -1 1 313.279 3.339 20 0 DFADMM O=C(c1cncs1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000643640918 430621714 /nfs/dbraw/zinc/62/17/14/430621714.db2.gz WZMGKOKQHWZUSH-UHFFFAOYSA-N -1 1 316.382 2.584 20 0 DFADMM Cc1c(C(=O)[O-])sc2nc(C)nc(N[C@H]3CS[C@@H](C)C3)c12 ZINC000572043914 430668659 /nfs/dbraw/zinc/66/86/59/430668659.db2.gz TTYIQYSYPKHMRO-IMTBSYHQSA-N -1 1 323.443 2.734 20 0 DFADMM C[C@H](c1ccc(F)cc1)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000572168855 430675114 /nfs/dbraw/zinc/67/51/14/430675114.db2.gz OJBZZZJCKNRUIM-BXUZGUMPSA-N -1 1 318.352 2.514 20 0 DFADMM O=C(N[C@H]1CCc2ccccc2C1=O)c1cc(Cl)ccc1[O-] ZINC000556034258 430678229 /nfs/dbraw/zinc/67/82/29/430678229.db2.gz AFESAPQALATFPC-AWEZNQCLSA-N -1 1 315.756 2.973 20 0 DFADMM O=c1[nH]cccc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000572553094 430690088 /nfs/dbraw/zinc/69/00/88/430690088.db2.gz AVUXASYLGZCFJE-UHFFFAOYSA-N -1 1 319.169 2.895 20 0 DFADMM C[C@H](C(=O)[O-])N(Cc1nc2cc(Cl)ccc2n1C)C1CC1 ZINC000263189631 278158561 /nfs/dbraw/zinc/15/85/61/278158561.db2.gz VMQYBTUJPVQEFX-SECBINFHSA-N -1 1 307.781 2.664 20 0 DFADMM CC(=O)Nc1cccc2c1CCCN2C(=O)c1ccccc1[O-] ZINC000368490848 278210888 /nfs/dbraw/zinc/21/08/88/278210888.db2.gz DRSBXOLGQZZMPJ-UHFFFAOYSA-N -1 1 310.353 2.944 20 0 DFADMM CCC(CC)c1cc(C(=O)[N-]c2nc3n(n2)CCCC3)on1 ZINC000654576449 430741189 /nfs/dbraw/zinc/74/11/89/430741189.db2.gz SKPMSYGUIXDLGX-UHFFFAOYSA-N -1 1 303.366 2.758 20 0 DFADMM Cc1ccn([C@@H](C)Cc2nc(-c3ccc([O-])c(F)c3)no2)n1 ZINC000664849251 430761825 /nfs/dbraw/zinc/76/18/25/430761825.db2.gz GDFLZZAZZPKWOC-JTQLQIEISA-N -1 1 302.309 2.890 20 0 DFADMM Cc1cccc2c1OC[C@@H](NC(=O)c1ccc([O-])c(F)c1)C2 ZINC000644644534 430779223 /nfs/dbraw/zinc/77/92/23/430779223.db2.gz OYVOVBCWLGAALE-ZDUSSCGKSA-N -1 1 301.317 2.573 20 0 DFADMM CCN(C[C@H](C)OC)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000644754579 430812213 /nfs/dbraw/zinc/81/22/13/430812213.db2.gz UBZKYVXVJZCUPC-VIFPVBQESA-N -1 1 305.296 2.908 20 0 DFADMM O=C(N[C@H]1CC12CC2)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000644974417 430881659 /nfs/dbraw/zinc/88/16/59/430881659.db2.gz OVOBEGVADIOYFS-HNNXBMFYSA-N -1 1 314.385 2.549 20 0 DFADMM C[C@H](COCC1CC1)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000651889055 430904759 /nfs/dbraw/zinc/90/47/59/430904759.db2.gz HEDKRBYDPLMGCW-SECBINFHSA-N -1 1 321.801 2.573 20 0 DFADMM O=S(=O)([N-]C1CC2(CCC2)C1)c1ccc(F)c(F)c1F ZINC000651918487 430915061 /nfs/dbraw/zinc/91/50/61/430915061.db2.gz BPBYTLOXDSEWSK-UHFFFAOYSA-N -1 1 305.321 2.715 20 0 DFADMM C[C@@H]1CN(Cc2cc(F)ccc2OC(F)F)C[C@H]1C(=O)[O-] ZINC000662212083 431000550 /nfs/dbraw/zinc/00/05/50/431000550.db2.gz UBPRVPYNBMVQLL-LDYMZIIASA-N -1 1 303.280 2.580 20 0 DFADMM COCCCN(C)Cc1c(Br)cccc1C(=O)[O-] ZINC000652402984 431043771 /nfs/dbraw/zinc/04/37/71/431043771.db2.gz QXQFBMUXSBIQGP-UHFFFAOYSA-N -1 1 316.195 2.616 20 0 DFADMM C[C@@H]1CN(Cc2nc(C(=O)[O-])co2)CC[C@@H]1c1ccccc1 ZINC000652427891 431048337 /nfs/dbraw/zinc/04/83/37/431048337.db2.gz VDRGHGRAUGTRRR-OCCSQVGLSA-N -1 1 300.358 2.998 20 0 DFADMM CCn1c(CN2CC[C@@H](C(=O)[O-])[C@@H](C)C2)nc2c1cccc2F ZINC000652497328 431070124 /nfs/dbraw/zinc/07/01/24/431070124.db2.gz 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CC(C)(CNC(=O)C(=O)c1ccc([O-])cc1)c1ccccc1F ZINC000436667693 297022881 /nfs/dbraw/zinc/02/28/81/297022881.db2.gz UVXABIUAIFKRSV-UHFFFAOYSA-N -1 1 315.344 2.808 20 0 DFADMM Cc1nccnc1CCNC(=O)c1ccc2ccccc2c1[O-] ZINC000436663823 297023151 /nfs/dbraw/zinc/02/31/51/297023151.db2.gz MWPJSYKJSMPICD-UHFFFAOYSA-N -1 1 307.353 2.616 20 0 DFADMM CCn1ncc2ccc(NC(=O)C(=O)c3ccc([O-])cc3)cc21 ZINC000436690339 297025283 /nfs/dbraw/zinc/02/52/83/297025283.db2.gz UJWPIWFOQZKCSP-UHFFFAOYSA-N -1 1 309.325 2.583 20 0 DFADMM O=C(NCc1coc(-c2ccccc2)n1)C(=O)c1ccc([O-])cc1 ZINC000436695688 297025815 /nfs/dbraw/zinc/02/58/15/297025815.db2.gz FGMBVMRUQGSWNI-UHFFFAOYSA-N -1 1 322.320 2.546 20 0 DFADMM O=C(N[C@H](CO)c1cccc(F)c1)c1ccc(Cl)cc1[O-] ZINC000436696910 297025885 /nfs/dbraw/zinc/02/58/85/297025885.db2.gz ILTGCQBGMUNFOR-CYBMUJFWSA-N -1 1 309.724 2.648 20 0 DFADMM COc1cc2nc(-c3ccc([O-])c(F)c3)[nH]c(=O)c2c(OC)c1 ZINC000436699955 297026112 /nfs/dbraw/zinc/02/61/12/297026112.db2.gz XSJQHISNEKBWFL-UHFFFAOYSA-N -1 1 316.288 2.864 20 0 DFADMM O=C(C(=O)N(C[C@H]1CCCO1)C1CCCC1)c1ccc([O-])cc1 ZINC000436698026 297026293 /nfs/dbraw/zinc/02/62/93/297026293.db2.gz LGWLRVVIASIFJV-MRXNPFEDSA-N -1 1 317.385 2.525 20 0 DFADMM CCc1cc(NC(=O)C(=O)c2ccc([O-])cc2)c2ccccc2n1 ZINC000436704542 297026354 /nfs/dbraw/zinc/02/63/54/297026354.db2.gz KFURMFNQDDKTLP-UHFFFAOYSA-N -1 1 320.348 2.746 20 0 DFADMM CCO[C@@H]1C[C@@H](NC(=O)C(=O)c2ccc([O-])cc2)C1(CC)CC ZINC000436708129 297026626 /nfs/dbraw/zinc/02/66/26/297026626.db2.gz ZZNIEAATIBVEJX-HUUCEWRRSA-N -1 1 319.401 2.675 20 0 DFADMM C[C@@]1(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])CCOC1 ZINC000436751135 297031788 /nfs/dbraw/zinc/03/17/88/297031788.db2.gz JCCTXBPJZVFOGK-ZDUSSCGKSA-N -1 1 303.280 2.567 20 0 DFADMM O=C(NCCC1CCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436754329 297031970 /nfs/dbraw/zinc/03/19/70/297031970.db2.gz YGVGMUSCWATNHO-UHFFFAOYSA-N -1 1 317.307 2.958 20 0 DFADMM O=C(Nc1ccc(-c2csnn2)cc1)c1ccc(O)cc1[O-] ZINC000436713970 297027485 /nfs/dbraw/zinc/02/74/85/297027485.db2.gz GWADYXRLNNXYKI-UHFFFAOYSA-N -1 1 313.338 2.869 20 0 DFADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCCCC(=O)C2)c1 ZINC000436717740 297027957 /nfs/dbraw/zinc/02/79/57/297027957.db2.gz CRXIKNJDDJIEER-LLVKDONJSA-N -1 1 319.357 2.657 20 0 DFADMM O=C(NCc1nc(-c2cccs2)c[nH]1)c1c([O-])cccc1F ZINC000436730561 297029415 /nfs/dbraw/zinc/02/94/15/297029415.db2.gz XHAYPZQTODKUMW-UHFFFAOYSA-N -1 1 317.345 2.913 20 0 DFADMM O=C(NC[C@@H](CO)c1ccccc1Cl)c1cc(F)ccc1[O-] ZINC000436738152 297029988 /nfs/dbraw/zinc/02/99/88/297029988.db2.gz KQRKVLAMQYVKMN-JTQLQIEISA-N -1 1 323.751 2.691 20 0 DFADMM Cn1cc(CCCNC(=O)c2cc3ccccc3cc2[O-])cn1 ZINC000436737463 297030002 /nfs/dbraw/zinc/03/00/02/297030002.db2.gz KYDMJSARIJRFLO-UHFFFAOYSA-N -1 1 309.369 2.642 20 0 DFADMM COc1cc([C@@H](C)NC(=O)c2ccc(Cl)cc2[O-])ccn1 ZINC000436743559 297030367 /nfs/dbraw/zinc/03/03/67/297030367.db2.gz XRFJNYRKAFOLPU-SECBINFHSA-N -1 1 306.749 2.940 20 0 DFADMM C[C@H]1Oc2cc(F)ccc2[C@H]1NC(=O)c1c([O-])cccc1F ZINC000436744736 297030907 /nfs/dbraw/zinc/03/09/07/297030907.db2.gz PFMSXDYPNMLLJK-GLEZIHRCSA-N -1 1 305.280 2.922 20 0 DFADMM CCOC(=O)CN(C(=O)c1ccc(Cl)cc1[O-])C1CCC1 ZINC000436746318 297030919 /nfs/dbraw/zinc/03/09/19/297030919.db2.gz XZSPTXXUKQJKQB-UHFFFAOYSA-N -1 1 311.765 2.603 20 0 DFADMM C[C@H]1C[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2[O-])CCO1 ZINC000436767577 297032938 /nfs/dbraw/zinc/03/29/38/297032938.db2.gz CHGGTIOIVPQIBF-UWVGGRQHSA-N -1 1 317.307 2.956 20 0 DFADMM COCCC1(C)CN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000436781672 297033720 /nfs/dbraw/zinc/03/37/20/297033720.db2.gz UZWKVGTWUVOWJN-UHFFFAOYSA-N -1 1 313.781 2.553 20 0 DFADMM CCCCn1cc(CNC(=O)c2cc(F)ccc2[O-])c(C)n1 ZINC000436791274 297034511 /nfs/dbraw/zinc/03/45/11/297034511.db2.gz IZONZTZJNROZHL-UHFFFAOYSA-N -1 1 305.353 2.766 20 0 DFADMM Cn1c(=O)ccc2ccc(NC(=O)c3cc(F)ccc3[O-])cc21 ZINC000436816704 297036745 /nfs/dbraw/zinc/03/67/45/297036745.db2.gz UOVCLFDFDGLHPN-UHFFFAOYSA-N -1 1 312.300 2.636 20 0 DFADMM O=C(NCc1ccc(C2CC2)cc1F)C(=O)c1ccc([O-])cc1 ZINC000436815031 297036780 /nfs/dbraw/zinc/03/67/80/297036780.db2.gz UDQJPBWANRGNEI-UHFFFAOYSA-N -1 1 313.328 2.908 20 0 DFADMM COC(=O)[C@H](CC1CCCCC1)NC(=O)c1c([O-])cccc1F ZINC000436823064 297037092 /nfs/dbraw/zinc/03/70/92/297037092.db2.gz SLEUUKQDYNRZTQ-ZDUSSCGKSA-N -1 1 323.364 2.773 20 0 DFADMM O=C(c1cc(F)ccc1[O-])N1CCOc2ccc(F)cc2C1 ZINC000436826883 297037692 /nfs/dbraw/zinc/03/76/92/297037692.db2.gz BUPQWFYVABJZDV-UHFFFAOYSA-N -1 1 305.280 2.705 20 0 DFADMM COCC[C@H](Cc1ccco1)NC(=O)c1cc(F)ccc1[O-] ZINC000436831595 297037979 /nfs/dbraw/zinc/03/79/79/297037979.db2.gz XQNLARBYSGUGBD-GFCCVEGCSA-N -1 1 307.321 2.502 20 0 DFADMM COc1ccncc1CNC(=O)c1cc2ccccc2cc1[O-] ZINC000436834930 297038378 /nfs/dbraw/zinc/03/83/78/297038378.db2.gz BDDZVDRWBKZUJL-UHFFFAOYSA-N -1 1 308.337 2.879 20 0 DFADMM O=C(NCCCNc1ccccc1F)c1cc(F)ccc1[O-] ZINC000436835472 297038829 /nfs/dbraw/zinc/03/88/29/297038829.db2.gz DYMTTXOIUDYDLC-UHFFFAOYSA-N -1 1 306.312 2.902 20 0 DFADMM CCN(C[C@H](C)OC)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436841230 297039299 /nfs/dbraw/zinc/03/92/99/297039299.db2.gz TVDBLFOMHZMKBQ-VIFPVBQESA-N -1 1 301.770 2.551 20 0 DFADMM Cc1ccc(C[C@@H](CO)NC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000436844353 297039509 /nfs/dbraw/zinc/03/95/09/297039509.db2.gz FJIIFCDLITWENP-AWEZNQCLSA-N -1 1 319.788 2.687 20 0 DFADMM CCOc1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1F ZINC000436847413 297039686 /nfs/dbraw/zinc/03/96/86/297039686.db2.gz JZAVPACLDFZXDN-UHFFFAOYSA-N -1 1 303.289 2.751 20 0 DFADMM CC(C)[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1nncn1C ZINC000436849924 297039780 /nfs/dbraw/zinc/03/97/80/297039780.db2.gz WHCQDAHCWFDDTC-INIZCTEOSA-N -1 1 324.384 2.801 20 0 DFADMM COc1cc(NC(=O)C(=O)c2ccc([O-])cc2)cc(OC)c1C ZINC000436857992 297040511 /nfs/dbraw/zinc/04/05/11/297040511.db2.gz RTUJLLSUQQXULC-UHFFFAOYSA-N -1 1 315.325 2.539 20 0 DFADMM CSc1ccc(F)cc1CNC(=O)C(=O)c1ccc([O-])cc1 ZINC000436926184 297045199 /nfs/dbraw/zinc/04/51/99/297045199.db2.gz KZVDPDXTGDPVRT-UHFFFAOYSA-N -1 1 319.357 2.752 20 0 DFADMM Cc1cn2ccnc(C(=O)Nc3ccc([O-])c(Cl)c3)c2n1 ZINC000436925549 297045213 /nfs/dbraw/zinc/04/52/13/297045213.db2.gz GWHKWZWWYDCNRR-UHFFFAOYSA-N -1 1 302.721 2.649 20 0 DFADMM CCCCO[C@H]1C[C@@H](NC(=O)C(=O)c2ccc([O-])cc2)C1(C)C ZINC000436938024 297046522 /nfs/dbraw/zinc/04/65/22/297046522.db2.gz SLEWXZHFBVLTGT-CABCVRRESA-N -1 1 319.401 2.675 20 0 DFADMM COc1ccc(CCNC(=O)c2c([O-])cccc2F)c(OC)c1 ZINC000436944041 297046826 /nfs/dbraw/zinc/04/68/26/297046826.db2.gz LHZSYAHTFJRLEO-UHFFFAOYSA-N -1 1 319.332 2.521 20 0 DFADMM O=C(C(=O)N1CC[C@@H](c2ccc(F)cc2)C1)c1ccc([O-])cc1 ZINC000436946835 297047384 /nfs/dbraw/zinc/04/73/84/297047384.db2.gz XTHYVEKINPZRDB-CQSZACIVSA-N -1 1 313.328 2.730 20 0 DFADMM CCS[C@@H]1CC[C@H](N(C)C(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000436953840 297047823 /nfs/dbraw/zinc/04/78/23/297047823.db2.gz CBEYRPJSOLVEKQ-GXTWGEPZSA-N -1 1 307.415 2.708 20 0 DFADMM C[C@@]1(F)CCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000436959945 297048063 /nfs/dbraw/zinc/04/80/63/297048063.db2.gz FUKSURYDICVVOX-GFCCVEGCSA-N -1 1 302.143 2.729 20 0 DFADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(O)cc2)[n-]c1=O ZINC000436963760 297048195 /nfs/dbraw/zinc/04/81/95/297048195.db2.gz HBEJAEMROBTGKD-NTMALXAHSA-N -1 1 300.314 2.625 20 0 DFADMM CSc1nnc(CNC(=O)c2cc(Cl)ccc2[O-])s1 ZINC000436988547 297050673 /nfs/dbraw/zinc/05/06/73/297050673.db2.gz LRIUTUMJXGONDV-UHFFFAOYSA-N -1 1 315.807 2.549 20 0 DFADMM O=C(NC1(c2ccc3c(c2)OCO3)CC1)c1c([O-])cccc1F ZINC000436990802 297050860 /nfs/dbraw/zinc/05/08/60/297050860.db2.gz SJSQRWDLVPHDNT-UHFFFAOYSA-N -1 1 315.300 2.679 20 0 DFADMM Cc1nc([C@](C)(NC(=O)c2cc(Cl)ccc2[O-])C2CC2)no1 ZINC000436992318 297051390 /nfs/dbraw/zinc/05/13/90/297051390.db2.gz ULGMGZYZLUNOFW-OAHLLOKOSA-N -1 1 321.764 2.792 20 0 DFADMM C[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1c(F)cccc1F ZINC000437004757 297052397 /nfs/dbraw/zinc/05/23/97/297052397.db2.gz NCEFRIQBFOKBBP-SECBINFHSA-N -1 1 305.280 2.731 20 0 DFADMM Cc1cnc(C(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c([O-])c1 ZINC000437360126 297060406 /nfs/dbraw/zinc/06/04/06/297060406.db2.gz TWCWWTGXYJELGF-JOYOIKCWSA-N -1 1 322.286 2.799 20 0 DFADMM Cc1cnc(C(=O)NCCc2cccc3cccnc32)c([O-])c1 ZINC000494903623 299888047 /nfs/dbraw/zinc/88/80/47/299888047.db2.gz VIGRVMWXZQNUAM-UHFFFAOYSA-N -1 1 307.353 2.616 20 0 DFADMM CC(C)[C@H](CC1CCCC1)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155490007 295319453 /nfs/dbraw/zinc/31/94/53/295319453.db2.gz YASPUDWIYYTLDF-GJZGRUSLSA-N -1 1 319.453 2.758 20 0 DFADMM CC(C)[C@@H](CC1CCCC1)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155489903 295319470 /nfs/dbraw/zinc/31/94/70/295319470.db2.gz YASPUDWIYYTLDF-LSDHHAIUSA-N -1 1 319.453 2.758 20 0 DFADMM CC[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)[C@@H]1CCCO1 ZINC000157785819 295353640 /nfs/dbraw/zinc/35/36/40/295353640.db2.gz SRPJBYDRQHBBSY-OCCSQVGLSA-N -1 1 309.387 2.669 20 0 DFADMM O=S(=O)([N-]CCC1=CCCC1)c1ccc(F)c(F)c1F ZINC000159093727 295371639 /nfs/dbraw/zinc/37/16/39/295371639.db2.gz FCXCUUHSUCFKPS-UHFFFAOYSA-N -1 1 305.321 2.883 20 0 DFADMM COCC(C)(C)CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000411400090 295537948 /nfs/dbraw/zinc/53/79/48/295537948.db2.gz MZFXYTBVPXPSMF-UHFFFAOYSA-N -1 1 303.362 2.784 20 0 DFADMM O=C(NCCCO[C@H]1CCCCO1)c1ccc(Cl)cc1[O-] ZINC000412315109 295611453 /nfs/dbraw/zinc/61/14/53/295611453.db2.gz YZSHAZWLFNONDC-AWEZNQCLSA-N -1 1 313.781 2.709 20 0 DFADMM COCC[C@H](C)CNC(=O)c1ccc(Br)cc1[O-] ZINC000412464828 295626261 /nfs/dbraw/zinc/62/62/61/295626261.db2.gz BFEFAESXTLHCIR-VIFPVBQESA-N -1 1 316.195 2.557 20 0 DFADMM CCc1n[nH]c([N-]S(=O)(=O)c2c(F)cccc2Cl)c1C ZINC000438249319 297085907 /nfs/dbraw/zinc/08/59/07/297085907.db2.gz CJXYFMPYWOYLIC-UHFFFAOYSA-N -1 1 317.773 2.874 20 0 DFADMM COCc1csc(NC(=O)c2c(F)ccc([O-])c2F)n1 ZINC000438918343 297106702 /nfs/dbraw/zinc/10/67/02/297106702.db2.gz KCCWJODNNQBBEV-UHFFFAOYSA-N -1 1 300.286 2.526 20 0 DFADMM CC(C)Oc1ccccc1C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000439014973 297112077 /nfs/dbraw/zinc/11/20/77/297112077.db2.gz LZLRKDHNKOTZNI-UHFFFAOYSA-N -1 1 323.356 2.906 20 0 DFADMM CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])[C@H]1CC[C@H](O)CC1 ZINC000440023668 297142852 /nfs/dbraw/zinc/14/28/52/297142852.db2.gz FMYLXTVRDXNCKV-XYPYZODXSA-N -1 1 317.307 2.787 20 0 DFADMM COc1cc(C(=O)N2C[C@H](C)O[C@@H](C)[C@@H]2C)cc(Cl)c1[O-] ZINC000442792992 297206224 /nfs/dbraw/zinc/20/62/24/297206224.db2.gz AKPFDUDSBNQYMT-GUBZILKMSA-N -1 1 313.781 2.692 20 0 DFADMM O=c1[n-]c(Sc2ncco2)nc2c1cnn2-c1ccccc1 ZINC000444870230 297254300 /nfs/dbraw/zinc/25/43/00/297254300.db2.gz JHYHDPVSFXXLFN-UHFFFAOYSA-N -1 1 311.326 2.660 20 0 DFADMM COC(=O)c1ccnc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000444937836 297255914 /nfs/dbraw/zinc/25/59/14/297255914.db2.gz SRIINYXDYFAHPY-UHFFFAOYSA-N -1 1 321.720 2.871 20 0 DFADMM Cn1cc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)cn1 ZINC000447268469 297298965 /nfs/dbraw/zinc/29/89/65/297298965.db2.gz VGAZELWDOUXIKL-UHFFFAOYSA-N -1 1 321.333 2.620 20 0 DFADMM COc1cc(C(=O)NCC2(SC)CC2)cc(Cl)c1[O-] ZINC000447618475 297311390 /nfs/dbraw/zinc/31/13/90/297311390.db2.gz BKJKHRDJGXHNLG-UHFFFAOYSA-N -1 1 301.795 2.680 20 0 DFADMM Cc1noc(C)c1CC[N-]S(=O)(=O)c1sccc1Cl ZINC000451177594 297760692 /nfs/dbraw/zinc/76/06/92/297760692.db2.gz WPINSQFOQVGVBF-UHFFFAOYSA-N -1 1 320.823 2.527 20 0 DFADMM C[C@@H](O)CC[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451227596 297770058 /nfs/dbraw/zinc/77/00/58/297770058.db2.gz LSQYAMIMTGAOMQ-MRVPVSSYSA-N -1 1 319.835 2.604 20 0 DFADMM CC(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1sccc1Cl ZINC000451281296 297781334 /nfs/dbraw/zinc/78/13/34/297781334.db2.gz AOVOTLYISCSMKE-ONGXEEELSA-N -1 1 323.867 2.741 20 0 DFADMM CC[C@@H]([N-]S(=O)(=O)c1sccc1Cl)[C@H]1CCCO1 ZINC000451337882 297790774 /nfs/dbraw/zinc/79/07/74/297790774.db2.gz HJIRZUJXEDIJGY-NXEZZACHSA-N -1 1 309.840 2.637 20 0 DFADMM CSC1(C[N-]S(=O)(=O)c2sccc2Cl)CCC1 ZINC000451472250 297810601 /nfs/dbraw/zinc/81/06/01/297810601.db2.gz JZUNESHBNWUSTQ-UHFFFAOYSA-N -1 1 311.881 2.966 20 0 DFADMM CCc1ncc(C[N-]S(=O)(=O)c2ccc(Cl)cc2F)o1 ZINC000451958206 297905143 /nfs/dbraw/zinc/90/51/43/297905143.db2.gz KPTXVYMXCOMIBV-UHFFFAOYSA-N -1 1 318.757 2.508 20 0 DFADMM CC(C)[C@@H](CO)[C@H](NC(=O)c1c(F)ccc([O-])c1F)C(C)C ZINC000452961870 298046906 /nfs/dbraw/zinc/04/69/06/298046906.db2.gz MTXPWEABSAEQJF-MEBBXXQBSA-N -1 1 315.360 2.689 20 0 DFADMM CC(C)C[C@]1(C)CCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000454303897 298151959 /nfs/dbraw/zinc/15/19/59/298151959.db2.gz QGWJRIMDBNFKRD-SFHVURJKSA-N -1 1 313.401 2.964 20 0 DFADMM CCOc1cc(C(=O)NC[C@@H]2CC[C@@H](C)O2)cc(Cl)c1[O-] ZINC000457423675 298721953 /nfs/dbraw/zinc/72/19/53/298721953.db2.gz FURLUWMJSPVQGU-KOLCDFICSA-N -1 1 313.781 2.742 20 0 DFADMM C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1ccn(C)n1 ZINC000458255130 298892225 /nfs/dbraw/zinc/89/22/25/298892225.db2.gz HTJIZZJSJWRZSU-QMMMGPOBSA-N -1 1 313.279 2.636 20 0 DFADMM O=S(=O)([N-][C@@H]1CCc2ccccc2C1)c1cccc(F)c1F ZINC000507525196 300237068 /nfs/dbraw/zinc/23/70/68/300237068.db2.gz 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318326920 /nfs/dbraw/zinc/32/69/20/318326920.db2.gz CNOMZBQQLZYKEQ-RAIGVLPGSA-N -1 1 321.446 2.592 20 0 DFADMM CCOc1cc(C(=O)Nc2nnc(C)s2)cc(Cl)c1[O-] ZINC000193110862 323251882 /nfs/dbraw/zinc/25/18/82/323251882.db2.gz QSBDBAKQIVLMEX-UHFFFAOYSA-N -1 1 313.766 2.857 20 0 DFADMM CCC[C@H](CNC(=O)c1cc(Br)ccc1[O-])OC ZINC000378770293 323287008 /nfs/dbraw/zinc/28/70/08/323287008.db2.gz LXWNTKQIIJEJET-SNVBAGLBSA-N -1 1 316.195 2.700 20 0 DFADMM CCCc1nc(=N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)s[n-]1 ZINC000389984640 323340605 /nfs/dbraw/zinc/34/06/05/323340605.db2.gz LICAWTXRYXKGEH-UKRRQHHQSA-N -1 1 316.474 2.845 20 0 DFADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1cc2c(c(Cl)c1)OCO2 ZINC000397024286 323354692 /nfs/dbraw/zinc/35/46/92/323354692.db2.gz TYCCNCJSUALLFV-GXSJLCMTSA-N -1 1 311.765 2.754 20 0 DFADMM CCc1cccc(C)c1NC(=O)CN1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000397501119 323355696 /nfs/dbraw/zinc/35/56/96/323355696.db2.gz RXVZIADFMIFHDN-HIFRSBDPSA-N -1 1 318.417 2.681 20 0 DFADMM CCn1c(CN2CCC[C@](C)(C(=O)[O-])C2)nc2c1cccc2F ZINC000580319555 323370264 /nfs/dbraw/zinc/37/02/64/323370264.db2.gz PLVBXQFKCAGPFT-KRWDZBQOSA-N -1 1 319.380 2.882 20 0 DFADMM CC1(C)CN(C(=O)c2nc3ccccc3c(=O)[n-]2)[C@H]2CCC[C@@H]21 ZINC000580994361 323460895 /nfs/dbraw/zinc/46/08/95/323460895.db2.gz BLSFSIKRGBYXDK-JSGCOSHPSA-N -1 1 311.385 2.574 20 0 DFADMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CO1 ZINC000583378600 323844104 /nfs/dbraw/zinc/84/41/04/323844104.db2.gz AMHVJUMECKCSAD-NTSWFWBYSA-N -1 1 316.231 2.511 20 0 DFADMM COCC1(CC[N-]S(=O)(=O)c2cc3ccccc3o2)CCC1 ZINC000555378172 518047109 /nfs/dbraw/zinc/04/71/09/518047109.db2.gz CKVIQTWTTNVIGY-UHFFFAOYSA-N -1 1 323.414 2.918 20 0 DFADMM CC(C)(C)c1nsc([N-]c2cnn(C[C@H]3CCCO3)c2)n1 ZINC000158443954 519145123 /nfs/dbraw/zinc/14/51/23/519145123.db2.gz RTEMWVHNFCASKI-LLVKDONJSA-N -1 1 307.423 2.955 20 0 DFADMM Cc1nc(S(=O)(=O)[N-][C@@H](c2cccnc2)C2CC2)sc1C ZINC000328804028 534518168 /nfs/dbraw/zinc/51/81/68/534518168.db2.gz 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/nfs/dbraw/zinc/63/57/21/527635721.db2.gz ISIIZDSOCICNNR-UHFFFAOYSA-N -1 1 318.446 2.916 20 0 DFADMM CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)c1ncccc1[O-] ZINC000361598487 534966849 /nfs/dbraw/zinc/96/68/49/534966849.db2.gz FDBJDSQXKPOVRD-GFCCVEGCSA-N -1 1 314.389 2.546 20 0 DFADMM CC(C)(NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)c1nn[n-]n1 ZINC000354769187 535234978 /nfs/dbraw/zinc/23/49/78/535234978.db2.gz ZTNFDYDYYFDWBY-LSDHHAIUSA-N -1 1 321.384 2.508 20 0 DFADMM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1C ZINC000356467109 536569759 /nfs/dbraw/zinc/56/97/59/536569759.db2.gz OQPRVXCUYXFAMT-UHFFFAOYSA-N -1 1 323.345 2.722 20 0 DFADMM c1csc(C[N-]c2nnc([C@@H]3COc4ccccc4O3)o2)n1 ZINC000680502977 545503540 /nfs/dbraw/zinc/50/35/40/545503540.db2.gz BBWHLWAWCQQIEF-NSHDSACASA-N -1 1 316.342 2.651 20 0 DFADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cc1O ZINC000680809847 545545203 /nfs/dbraw/zinc/54/52/03/545545203.db2.gz RZJHMIVSZIJSCS-UHFFFAOYSA-N -1 1 321.354 2.539 20 0 DFADMM COc1ccc(CN(C)C(=O)c2ccc([O-])c(F)c2)c(OC)c1 ZINC000681014140 545581583 /nfs/dbraw/zinc/58/15/83/545581583.db2.gz BRPISJQYVGRQIL-UHFFFAOYSA-N -1 1 319.332 2.821 20 0 DFADMM COc1ccc(OCCN(C)C(=O)c2ccc([O-])c(F)c2)cc1 ZINC000681016244 545582007 /nfs/dbraw/zinc/58/20/07/545582007.db2.gz KDLWDTYDBPYDEI-UHFFFAOYSA-N -1 1 319.332 2.691 20 0 DFADMM COc1ccc(CCNC(=O)c2ccc([O-])c(F)c2)cc1OC ZINC000681014713 545582030 /nfs/dbraw/zinc/58/20/30/545582030.db2.gz JGIUZVVHVLEIOH-UHFFFAOYSA-N -1 1 319.332 2.521 20 0 DFADMM COc1ccc(CCCNC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000681020840 545584074 /nfs/dbraw/zinc/58/40/74/545584074.db2.gz FUGQJPSYDRRKGO-UHFFFAOYSA-N -1 1 303.333 2.903 20 0 DFADMM CCNC(=O)Nc1cccc(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000681032816 545585650 /nfs/dbraw/zinc/58/56/50/545585650.db2.gz RIGRLXUNMFUDTN-UHFFFAOYSA-N -1 1 317.320 2.925 20 0 DFADMM Cc1cc(C)n([C@@H]2CCCN(C(=O)c3ccc([O-])c(F)c3)C2)n1 ZINC000681042288 545587274 /nfs/dbraw/zinc/58/72/74/545587274.db2.gz PLLRWPGEJLCXEA-CQSZACIVSA-N -1 1 317.364 2.822 20 0 DFADMM Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000681041461 545587511 /nfs/dbraw/zinc/58/75/11/545587511.db2.gz BTSZYRWPDBHERD-CQSZACIVSA-N -1 1 317.364 2.859 20 0 DFADMM CC(=O)N(C)c1ccccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000681047352 545587944 /nfs/dbraw/zinc/58/79/44/545587944.db2.gz BCGIXDUXACVJTQ-UHFFFAOYSA-N -1 1 302.305 2.766 20 0 DFADMM C[C@H](CNC(=O)c1ccc([O-])c(F)c1)Oc1cccc(F)c1 ZINC000681049558 545588640 /nfs/dbraw/zinc/58/86/40/545588640.db2.gz CWLSKJORTVCULT-SNVBAGLBSA-N -1 1 307.296 2.868 20 0 DFADMM COc1cccc(-c2nsc([N-]C(=O)c3coc(C)n3)n2)c1 ZINC000681553820 545672603 /nfs/dbraw/zinc/67/26/03/545672603.db2.gz IUNIBKMJZMKVGQ-UHFFFAOYSA-N -1 1 316.342 2.762 20 0 DFADMM Cc1cnc(C(=O)N2CCCO[C@H](c3ccccc3)C2)c([O-])c1 ZINC000681726911 545708954 /nfs/dbraw/zinc/70/89/54/545708954.db2.gz LGBSXEQIIHAFGL-INIZCTEOSA-N -1 1 312.369 2.699 20 0 DFADMM CC(C)c1ccc(C(=O)Nc2ccc(-n3cncn3)cn2)c([O-])c1 ZINC000682969083 545950819 /nfs/dbraw/zinc/95/08/19/545950819.db2.gz HUFATNCHVCUPPR-UHFFFAOYSA-N -1 1 323.356 2.744 20 0 DFADMM O=C(N[C@@H]1CCc2cc(O)ccc2C1)c1ccc([O-])cc1F ZINC000683509993 546047390 /nfs/dbraw/zinc/04/73/90/546047390.db2.gz YVGUHTBNXIWEKZ-GFCCVEGCSA-N -1 1 301.317 2.524 20 0 DFADMM CSc1cc2c(cc1[N-]C(=O)c1nccs1)OCCO2 ZINC000683617926 546069103 /nfs/dbraw/zinc/06/91/03/546069103.db2.gz JSAKXMVGYRZCFL-UHFFFAOYSA-N -1 1 308.384 2.889 20 0 DFADMM COc1cccc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)c1 ZINC000683744451 546085560 /nfs/dbraw/zinc/08/55/60/546085560.db2.gz REHRJNAZZZDZEF-UHFFFAOYSA-N -1 1 321.333 2.511 20 0 DFADMM c1nc(C[N-]c2nc(-c3ccccc3)no2)n(-c2ccccc2)n1 ZINC000683755023 546088157 /nfs/dbraw/zinc/08/81/57/546088157.db2.gz AGZBAOGHFYRCIK-UHFFFAOYSA-N -1 1 318.340 2.929 20 0 DFADMM O=C(Nc1ccc(F)c(-c2nc[nH]n2)c1)c1ccc(O)cc1F ZINC000684188918 546166764 /nfs/dbraw/zinc/16/67/64/546166764.db2.gz YODWSWSSIJWSES-UHFFFAOYSA-N -1 1 316.267 2.708 20 0 DFADMM O=C(Nc1ccc(F)c(-c2nnc[nH]2)c1)c1ccc([O-])cc1F ZINC000684188918 546166767 /nfs/dbraw/zinc/16/67/67/546166767.db2.gz YODWSWSSIJWSES-UHFFFAOYSA-N -1 1 316.267 2.708 20 0 DFADMM O=C(CCC(F)F)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000684459147 546223351 /nfs/dbraw/zinc/22/33/51/546223351.db2.gz CYSGBLMUYBTSJW-UHFFFAOYSA-N -1 1 311.328 2.859 20 0 DFADMM O=C(NCc1nccs1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684871886 546295840 /nfs/dbraw/zinc/29/58/40/546295840.db2.gz VTLZTSNXISGHMD-UHFFFAOYSA-N -1 1 302.277 2.798 20 0 DFADMM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)CCS1 ZINC000684873052 546296431 /nfs/dbraw/zinc/29/64/31/546296431.db2.gz FDEAXKOIUDKWLC-QMMMGPOBSA-N -1 1 305.321 2.989 20 0 DFADMM CC(C)(O)[C@@H]1CCCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684876710 546296467 /nfs/dbraw/zinc/29/64/67/546296467.db2.gz DFODGNKVUTXIMU-LBPRGKRZSA-N -1 1 317.307 2.787 20 0 DFADMM CN(C[C@H]1CCOC1)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684876342 546296532 /nfs/dbraw/zinc/29/65/32/546296532.db2.gz WQJRCWKXAYOZDR-SECBINFHSA-N -1 1 303.280 2.520 20 0 DFADMM CC[C@H](C)[C@@H](O)CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684877459 546296860 /nfs/dbraw/zinc/29/68/60/546296860.db2.gz QDZVOSBQJYPNQI-UFBFGSQYSA-N -1 1 305.296 2.548 20 0 DFADMM COc1cnccc1[C@H](C)NC(=O)c1c(F)ccc([O-])c1F ZINC000685477652 546359187 /nfs/dbraw/zinc/35/91/87/546359187.db2.gz LFQNITWHBSQWLG-QMMMGPOBSA-N -1 1 308.284 2.565 20 0 DFADMM C[C@@H]1CCC[C@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000736252817 598957889 /nfs/dbraw/zinc/95/78/89/598957889.db2.gz LKNYUJUSBGXKSV-MNOVXSKESA-N -1 1 309.377 2.801 20 0 DFADMM C[C@@H]1CCC[C@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000736252817 598957890 /nfs/dbraw/zinc/95/78/90/598957890.db2.gz LKNYUJUSBGXKSV-MNOVXSKESA-N -1 1 309.377 2.801 20 0 DFADMM CC(C)c1ccc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735929454 598980950 /nfs/dbraw/zinc/98/09/50/598980950.db2.gz ZPIKOEYNKIKQPP-UHFFFAOYSA-N -1 1 309.329 2.604 20 0 DFADMM CC(C)c1ccc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735929454 598980952 /nfs/dbraw/zinc/98/09/52/598980952.db2.gz ZPIKOEYNKIKQPP-UHFFFAOYSA-N -1 1 309.329 2.604 20 0 DFADMM CC(C)c1cccc(N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000735927847 598996592 /nfs/dbraw/zinc/99/65/92/598996592.db2.gz CWCAXGFTAFVJKH-UHFFFAOYSA-N -1 1 322.372 2.662 20 0 DFADMM CC(C)c1cccc(N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000735927847 598996594 /nfs/dbraw/zinc/99/65/94/598996594.db2.gz CWCAXGFTAFVJKH-UHFFFAOYSA-N -1 1 322.372 2.662 20 0 DFADMM Clc1nsc(N2CCC3(CCCC3)C2)c1-c1nnn[n-]1 ZINC000822590040 599093266 /nfs/dbraw/zinc/09/32/66/599093266.db2.gz GOOLSVDTAFGKNZ-UHFFFAOYSA-N -1 1 310.814 2.747 20 0 DFADMM Clc1nsc(N2CCC3(CCCC3)C2)c1-c1nn[n-]n1 ZINC000822590040 599093268 /nfs/dbraw/zinc/09/32/68/599093268.db2.gz GOOLSVDTAFGKNZ-UHFFFAOYSA-N -1 1 310.814 2.747 20 0 DFADMM C[C@H](CNc1cccc(-c2nnn[n-]2)n1)c1ccc(F)cc1F ZINC000820280581 599097403 /nfs/dbraw/zinc/09/74/03/599097403.db2.gz JPEAVSARZLYUOG-SECBINFHSA-N -1 1 316.315 2.756 20 0 DFADMM C[C@H](CNc1cccc(-c2nn[n-]n2)n1)c1ccc(F)cc1F ZINC000820280581 599097407 /nfs/dbraw/zinc/09/74/07/599097407.db2.gz JPEAVSARZLYUOG-SECBINFHSA-N -1 1 316.315 2.756 20 0 DFADMM CC[C@H](COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000736355103 599154737 /nfs/dbraw/zinc/15/47/37/599154737.db2.gz XTSAFKUPNUWTIJ-GFCCVEGCSA-N -1 1 323.356 2.612 20 0 DFADMM CC[C@H](COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000736355103 599154738 /nfs/dbraw/zinc/15/47/38/599154738.db2.gz XTSAFKUPNUWTIJ-GFCCVEGCSA-N -1 1 323.356 2.612 20 0 DFADMM Clc1ccc(Cl)c(CNc2n[nH]cc2-c2nnn[n-]2)c1 ZINC000737575552 599165026 /nfs/dbraw/zinc/16/50/26/599165026.db2.gz MLFDPXNIWIRBRA-UHFFFAOYSA-N -1 1 310.148 2.509 20 0 DFADMM Clc1ccc(Cl)c(CNc2n[nH]cc2-c2nn[n-]n2)c1 ZINC000737575552 599165027 /nfs/dbraw/zinc/16/50/27/599165027.db2.gz MLFDPXNIWIRBRA-UHFFFAOYSA-N -1 1 310.148 2.509 20 0 DFADMM CC[C@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000736403919 599230764 /nfs/dbraw/zinc/23/07/64/599230764.db2.gz ZEQBTYXMSWOUEC-QMMMGPOBSA-N -1 1 312.830 2.993 20 0 DFADMM CC[C@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000736403919 599230765 /nfs/dbraw/zinc/23/07/65/599230765.db2.gz ZEQBTYXMSWOUEC-QMMMGPOBSA-N -1 1 312.830 2.993 20 0 DFADMM CC(C)c1cccnc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824352399 607778389 /nfs/dbraw/zinc/77/83/89/607778389.db2.gz CEVADAKBAOZVRX-UHFFFAOYSA-N -1 1 314.374 2.699 20 0 DFADMM CC(C)c1cccnc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824352399 607778390 /nfs/dbraw/zinc/77/83/90/607778390.db2.gz CEVADAKBAOZVRX-UHFFFAOYSA-N -1 1 314.374 2.699 20 0 DFADMM CC(C)Oc1ccc(F)cc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000820155781 607315882 /nfs/dbraw/zinc/31/58/82/607315882.db2.gz WUGLXGJQYJLNRE-UHFFFAOYSA-N -1 1 317.324 2.998 20 0 DFADMM CC(C)Oc1ccc(F)cc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000820155781 607315883 /nfs/dbraw/zinc/31/58/83/607315883.db2.gz WUGLXGJQYJLNRE-UHFFFAOYSA-N -1 1 317.324 2.998 20 0 DFADMM C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CC[C@@H](C(=O)[O-])C1 ZINC000818075587 597530622 /nfs/dbraw/zinc/53/06/22/597530622.db2.gz BJYMZPVGGZGJGV-MWLCHTKSSA-N -1 1 321.764 2.858 20 0 DFADMM Cc1cccc(-c2nnc([C@H](C)N3CC[C@@H](C(=O)[O-])C3)o2)c1 ZINC000818936083 597530631 /nfs/dbraw/zinc/53/06/31/597530631.db2.gz OBWAPOGUUPQWJE-WCQYABFASA-N -1 1 301.346 2.513 20 0 DFADMM O=C([O-])C[C@@H]1CCCN(Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000821516434 598151836 /nfs/dbraw/zinc/15/18/36/598151836.db2.gz UXDRLAQETHOICL-AAEUAGOBSA-N -1 1 310.419 2.681 20 0 DFADMM COc1ccccc1[C@H](N[C@@H](C)CC(=O)[O-])c1ccccn1 ZINC000820876516 598217427 /nfs/dbraw/zinc/21/74/27/598217427.db2.gz OFEJPULTZAMHOO-SJCJKPOMSA-N -1 1 300.358 2.632 20 0 DFADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)c1ccc(F)c(Cl)c1 ZINC000736135971 598348521 /nfs/dbraw/zinc/34/85/21/598348521.db2.gz CPSAOBRGIMHHRK-ZETCQYMHSA-N -1 1 319.731 2.622 20 0 DFADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)c1ccc(F)c(Cl)c1 ZINC000736135971 598348523 /nfs/dbraw/zinc/34/85/23/598348523.db2.gz CPSAOBRGIMHHRK-ZETCQYMHSA-N -1 1 319.731 2.622 20 0 DFADMM Clc1ccc(NC[C@@H]2CC2(Cl)Cl)nc1-c1nnn[n-]1 ZINC000737574113 598571604 /nfs/dbraw/zinc/57/16/04/598571604.db2.gz LDQJEAYIUQSIHP-YFKPBYRVSA-N -1 1 319.583 2.521 20 0 DFADMM Clc1ccc(NC[C@@H]2CC2(Cl)Cl)nc1-c1nn[n-]n1 ZINC000737574113 598571605 /nfs/dbraw/zinc/57/16/05/598571605.db2.gz LDQJEAYIUQSIHP-YFKPBYRVSA-N -1 1 319.583 2.521 20 0 DFADMM Clc1ccc(NCCc2ccsc2)nc1-c1nnn[n-]1 ZINC000737572993 598573561 /nfs/dbraw/zinc/57/35/61/598573561.db2.gz COWPCINQKHWBCQ-UHFFFAOYSA-N -1 1 306.782 2.631 20 0 DFADMM Clc1ccc(NCCc2ccsc2)nc1-c1nn[n-]n1 ZINC000737572993 598573562 /nfs/dbraw/zinc/57/35/62/598573562.db2.gz COWPCINQKHWBCQ-UHFFFAOYSA-N -1 1 306.782 2.631 20 0 DFADMM Fc1cccc(Cl)c1CNCc1ccc(-c2nnn[n-]2)o1 ZINC000822787104 599421668 /nfs/dbraw/zinc/42/16/68/599421668.db2.gz VOXHRKDJRALKTO-UHFFFAOYSA-N -1 1 307.716 2.542 20 0 DFADMM Fc1cccc(Cl)c1CNCc1ccc(-c2nn[n-]n2)o1 ZINC000822787104 599421670 /nfs/dbraw/zinc/42/16/70/599421670.db2.gz VOXHRKDJRALKTO-UHFFFAOYSA-N -1 1 307.716 2.542 20 0 DFADMM Clc1ccc(CCCNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000737574533 599423019 /nfs/dbraw/zinc/42/30/19/599423019.db2.gz HAUPSAABALKTPI-UHFFFAOYSA-N -1 1 314.780 2.960 20 0 DFADMM Clc1ccc(CCCNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000737574533 599423022 /nfs/dbraw/zinc/42/30/22/599423022.db2.gz HAUPSAABALKTPI-UHFFFAOYSA-N -1 1 314.780 2.960 20 0 DFADMM C[C@@H]1C[C@H](c2ccccc2)CN1c1cccc(-c2nnn[n-]2)n1 ZINC000736238249 599438758 /nfs/dbraw/zinc/43/87/58/599438758.db2.gz YGWNOKZMLJFQQA-OCCSQVGLSA-N -1 1 306.373 2.644 20 0 DFADMM C[C@@H]1C[C@H](c2ccccc2)CN1c1cccc(-c2nn[n-]n2)n1 ZINC000736238249 599438760 /nfs/dbraw/zinc/43/87/60/599438760.db2.gz YGWNOKZMLJFQQA-OCCSQVGLSA-N -1 1 306.373 2.644 20 0 DFADMM CCCCOCCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821071989 599500781 /nfs/dbraw/zinc/50/07/81/599500781.db2.gz PQBVWPAQACZPDP-UHFFFAOYSA-N -1 1 312.377 2.644 20 0 DFADMM CCCCOCCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821071989 599500783 /nfs/dbraw/zinc/50/07/83/599500783.db2.gz PQBVWPAQACZPDP-UHFFFAOYSA-N -1 1 312.377 2.644 20 0 DFADMM CSC[C@@H](C)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821956351 599564169 /nfs/dbraw/zinc/56/41/69/599564169.db2.gz MSXKIRXMNVDGEI-SECBINFHSA-N -1 1 300.391 2.578 20 0 DFADMM CSC[C@@H](C)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821956351 599564170 /nfs/dbraw/zinc/56/41/70/599564170.db2.gz MSXKIRXMNVDGEI-SECBINFHSA-N -1 1 300.391 2.578 20 0 DFADMM CCC[C@H](CCc1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC000821021205 599581881 /nfs/dbraw/zinc/58/18/81/599581881.db2.gz LTOJPDAAOKUDAY-CQSZACIVSA-N -1 1 323.404 2.870 20 0 DFADMM CCC[C@H](CCc1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC000821021205 599581883 /nfs/dbraw/zinc/58/18/83/599581883.db2.gz LTOJPDAAOKUDAY-CQSZACIVSA-N -1 1 323.404 2.870 20 0 DFADMM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)C(F)(F)F)cc1 ZINC000738199581 599752729 /nfs/dbraw/zinc/75/27/29/599752729.db2.gz OBYZEEGTVCBHAI-SECBINFHSA-N -1 1 307.293 2.603 20 0 DFADMM CC[C@@H]1CCCN1CC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000736937886 599772641 /nfs/dbraw/zinc/77/26/41/599772641.db2.gz HLKSMTJIJGRNFZ-LLVKDONJSA-N -1 1 310.419 2.876 20 0 DFADMM CCc1[nH]ncc1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000737247591 599952932 /nfs/dbraw/zinc/95/29/32/599952932.db2.gz KYISNFPNDQSZOV-UHFFFAOYSA-N -1 1 319.386 2.542 20 0 DFADMM C[C@H]1CCC[C@H](C)N1CC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000736774990 599953660 /nfs/dbraw/zinc/95/36/60/599953660.db2.gz MDJMHUSUIOUYSE-STQMWFEESA-N -1 1 304.390 2.611 20 0 DFADMM C[C@@H]1CCC[C@H](C)N1CC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000736774987 599953811 /nfs/dbraw/zinc/95/38/11/599953811.db2.gz MDJMHUSUIOUYSE-BETUJISGSA-N -1 1 304.390 2.611 20 0 DFADMM O=C([O-])C[C@H]1CCCCN1Cn1ccc(-c2cccs2)n1 ZINC000739638763 600074535 /nfs/dbraw/zinc/07/45/35/600074535.db2.gz AMPGQMBSHKCVJP-GFCCVEGCSA-N -1 1 305.403 2.898 20 0 DFADMM Cc1cccc(-c2nnc([C@H](C)N3CCC[C@@H](C(=O)[O-])C3)o2)c1 ZINC000738305695 600137685 /nfs/dbraw/zinc/13/76/85/600137685.db2.gz DVIOQWDTNULCIH-GXTWGEPZSA-N -1 1 315.373 2.903 20 0 DFADMM CC[C@@H](C)CN(C)CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000736879802 600324996 /nfs/dbraw/zinc/32/49/96/600324996.db2.gz IGEVRLGWHXQVFW-SNVBAGLBSA-N -1 1 324.446 2.851 20 0 DFADMM CC[C@H](C)[C@H](NC(=O)CN1CCCC2(CCCCC2)C1)C(=O)[O-] ZINC000736879844 600338040 /nfs/dbraw/zinc/33/80/40/600338040.db2.gz RSFIXBUXODGYHF-HOCLYGCPSA-N -1 1 324.465 2.648 20 0 DFADMM Cc1cc(-c2noc([C@@H](C)N(C)C[C@H](C)C(=O)[O-])n2)ccc1F ZINC000738314205 600376067 /nfs/dbraw/zinc/37/60/67/600376067.db2.gz LDHSIBUVYWGGDB-WDEREUQCSA-N -1 1 321.352 2.898 20 0 DFADMM COc1c(C)cnc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)c1C ZINC000737840099 600431058 /nfs/dbraw/zinc/43/10/58/600431058.db2.gz QUIQSXWFPJPBDH-HNNXBMFYSA-N -1 1 318.348 2.762 20 0 DFADMM CO[C@H](CN[C@@H](C(=O)[O-])c1cccc(Cl)c1)C(F)(F)F ZINC000737732031 600438059 /nfs/dbraw/zinc/43/80/59/600438059.db2.gz AZCHPSPKVKMJMA-NXEZZACHSA-N -1 1 311.687 2.633 20 0 DFADMM CC(C)n1ncc2cc(CNCc3ccc(C(=O)[O-])o3)cnc21 ZINC000736539710 600523866 /nfs/dbraw/zinc/52/38/66/600523866.db2.gz LSXCGMAYKKTDND-UHFFFAOYSA-N -1 1 314.345 2.593 20 0 DFADMM CC(C)(NCCOc1cccc(C(=O)[O-])c1)c1nccs1 ZINC000232558859 600556701 /nfs/dbraw/zinc/55/67/01/600556701.db2.gz DILAJWUPDYJNKA-UHFFFAOYSA-N -1 1 306.387 2.745 20 0 DFADMM C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000736761477 600757921 /nfs/dbraw/zinc/75/79/21/600757921.db2.gz JOYCCAOZPVRSCM-TXEJJXNPSA-N -1 1 305.378 2.612 20 0 DFADMM CC1(C)CCN([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC000828068996 600795711 /nfs/dbraw/zinc/79/57/11/600795711.db2.gz ISQMFVFGHKWYDA-GFCCVEGCSA-N -1 1 322.430 2.674 20 0 DFADMM Cc1cc(CN(C)[C@@H](CCO)c2ccccc2)oc1C(=O)[O-] ZINC000832881656 600841056 /nfs/dbraw/zinc/84/10/56/600841056.db2.gz IKARFXHUJOLRDS-HNNXBMFYSA-N -1 1 303.358 2.842 20 0 DFADMM Cc1oc(CN(C)[C@@H](CCO)c2ccccc2)cc1C(=O)[O-] ZINC000833025708 600841501 /nfs/dbraw/zinc/84/15/01/600841501.db2.gz PYOXQXPBFUGLCI-INIZCTEOSA-N -1 1 303.358 2.842 20 0 DFADMM CCC[C@]1(C)CCCN(CC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C1 ZINC000829238033 600861062 /nfs/dbraw/zinc/86/10/62/600861062.db2.gz JJEQJVGBECDQOC-JLJPHGGASA-N -1 1 312.454 2.504 20 0 DFADMM C[C@H]1CC[C@H](C)N1CC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000828213804 600962904 /nfs/dbraw/zinc/96/29/04/600962904.db2.gz DLSXPPYXLYSALN-UWVGGRQHSA-N -1 1 310.781 2.850 20 0 DFADMM CCCC[C@H](C(=O)[O-])[NH+]1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000829276812 600984778 /nfs/dbraw/zinc/98/47/78/600984778.db2.gz NAQYGCLHVCZCFX-MRXNPFEDSA-N -1 1 319.401 2.930 20 0 DFADMM CCSCC[C@H](C)N(C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000830163875 601051403 /nfs/dbraw/zinc/05/14/03/601051403.db2.gz HRINFVNPLIDSPY-LBPRGKRZSA-N -1 1 324.446 2.787 20 0 DFADMM CCCN(C/C=C(/C)C(=O)[O-])[C@H](C)C(=O)Nc1ccccc1 ZINC000829486356 601054909 /nfs/dbraw/zinc/05/49/09/601054909.db2.gz DKKXVMVDMNKUTR-QLKUMGTLSA-N -1 1 304.390 2.757 20 0 DFADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000832849263 601080143 /nfs/dbraw/zinc/08/01/43/601080143.db2.gz WPWWKGPZANASAR-UHFFFAOYSA-N -1 1 313.235 2.687 20 0 DFADMM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1CCC[C@H](CO)C1 ZINC000833171781 601153985 /nfs/dbraw/zinc/15/39/85/601153985.db2.gz PURYEHUTANIIHA-ZANVPECISA-N -1 1 318.200 2.823 20 0 DFADMM CC(C)c1ccccc1NC(=O)CN[C@](C)(C(=O)[O-])C1CC1 ZINC000827134209 601176569 /nfs/dbraw/zinc/17/65/69/601176569.db2.gz KFCNWHPIMNAWNX-KRWDZBQOSA-N -1 1 304.390 2.591 20 0 DFADMM CC[C@@H](C)CN(CC)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000828746659 601181073 /nfs/dbraw/zinc/18/10/73/601181073.db2.gz HRESYBMHJHNCHV-LLVKDONJSA-N -1 1 317.389 2.902 20 0 DFADMM O=C([O-])c1cccc(NC(=O)N2CCC(c3cnc[nH]3)CC2)c1 ZINC000833330459 601267529 /nfs/dbraw/zinc/26/75/29/601267529.db2.gz UKWMKIILESPUFP-UHFFFAOYSA-N -1 1 314.345 2.519 20 0 DFADMM CCCCCCOCCOC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821056621 607499082 /nfs/dbraw/zinc/49/90/82/607499082.db2.gz UPNLUIWPQLLMRY-UHFFFAOYSA-N -1 1 324.406 2.682 20 0 DFADMM CCCCCCOCCOC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821056621 607499083 /nfs/dbraw/zinc/49/90/83/607499083.db2.gz UPNLUIWPQLLMRY-UHFFFAOYSA-N -1 1 324.406 2.682 20 0 DFADMM CC(C)N(CCC(=O)[O-])CN1C(=O)C(C)(C)[C@@H]1c1ccccc1 ZINC000826946527 601398413 /nfs/dbraw/zinc/39/84/13/601398413.db2.gz AHTDKHROYIDFFU-INIZCTEOSA-N -1 1 318.417 2.739 20 0 DFADMM CCc1oc(C(=O)[O-])cc1CN1CCC[C@H]1c1cnn(C)c1 ZINC000830369204 601416906 /nfs/dbraw/zinc/41/69/06/601416906.db2.gz LHIDUXXTSSJXSL-ZDUSSCGKSA-N -1 1 303.362 2.611 20 0 DFADMM CCc1oc(C(=O)[O-])cc1CN1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000830363762 601424270 /nfs/dbraw/zinc/42/42/70/601424270.db2.gz XRFVAYMSOMQUJO-NSHDSACASA-N -1 1 323.389 2.704 20 0 DFADMM O=C([O-])[C@]1(F)CCN(CCCOc2cccc(Cl)c2)C1 ZINC000833174863 601435986 /nfs/dbraw/zinc/43/59/86/601435986.db2.gz KFTMDDGCGWITKO-AWEZNQCLSA-N -1 1 301.745 2.608 20 0 DFADMM CC[C@H]1CCN(CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C1 ZINC000829134482 601498041 /nfs/dbraw/zinc/49/80/41/601498041.db2.gz YTXUATNTDUXTEJ-NSHDSACASA-N -1 1 310.419 2.734 20 0 DFADMM C[C@H]1CN(Cc2cc(F)ccc2Br)C[C@@H]1C(=O)[O-] ZINC000111254680 601524868 /nfs/dbraw/zinc/52/48/68/601524868.db2.gz LQTVDQMTTVLOBX-KWQFWETISA-N -1 1 316.170 2.741 20 0 DFADMM C[C@@H](c1nc(-c2cccs2)no1)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828422800 601530030 /nfs/dbraw/zinc/53/00/30/601530030.db2.gz JKVJEZOODVGVEA-UTLUCORTSA-N -1 1 307.375 2.512 20 0 DFADMM CC(C)N(C(=O)CN[C@@H](C(=O)[O-])C(C)(C)C)c1ccccc1 ZINC000826924584 601602406 /nfs/dbraw/zinc/60/24/06/601602406.db2.gz KPDHNXRXCZHNSP-HNNXBMFYSA-N -1 1 306.406 2.517 20 0 DFADMM CCCCN(CC)Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC000041619997 601633869 /nfs/dbraw/zinc/63/38/69/601633869.db2.gz ILHHYHRIPDPUJS-UHFFFAOYSA-N -1 1 323.418 2.613 20 0 DFADMM C[C@H](C(=O)[O-])[C@H](NCc1cn2ccccc2n1)c1ccccc1 ZINC000826055085 601653634 /nfs/dbraw/zinc/65/36/34/601653634.db2.gz VMOPBBLPEWWBBX-GUYCJALGSA-N -1 1 309.369 2.886 20 0 DFADMM C[C@H](C(=O)[O-])[C@@H](NCc1nccn1C(F)F)c1ccccc1 ZINC000826054816 601655340 /nfs/dbraw/zinc/65/53/40/601655340.db2.gz QTZFETCJTOZWHT-GXFFZTMASA-N -1 1 309.316 2.830 20 0 DFADMM CC1(C)CN(Cc2ccnc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000824806800 607523171 /nfs/dbraw/zinc/52/31/71/607523171.db2.gz BYEBRHWDXOKNAU-UHFFFAOYSA-N -1 1 306.373 2.560 20 0 DFADMM 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LAAXSDJVWVZWLP-UHFFFAOYSA-N -1 1 323.356 2.606 20 0 DFADMM O=C([O-])N1CCC2(CCN(Cc3ccncc3Cl)C2)CC1 ZINC000834091460 605896676 /nfs/dbraw/zinc/89/66/76/605896676.db2.gz CSKDOAAWETWLCU-UHFFFAOYSA-N -1 1 309.797 2.701 20 0 DFADMM CC(C)C[C@H](C)CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820055212 606293806 /nfs/dbraw/zinc/29/38/06/606293806.db2.gz FPGSPQZCTGHHOI-JTQLQIEISA-N -1 1 303.366 2.583 20 0 DFADMM Fc1ccc(C[C@@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)cc1 ZINC000822766219 606401695 /nfs/dbraw/zinc/40/16/95/606401695.db2.gz GIYUDGNHNVWURJ-AWEZNQCLSA-N -1 1 324.363 2.612 20 0 DFADMM Fc1ccc(C[C@@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)cc1 ZINC000822766219 606401696 /nfs/dbraw/zinc/40/16/96/606401696.db2.gz GIYUDGNHNVWURJ-AWEZNQCLSA-N -1 1 324.363 2.612 20 0 DFADMM CC(=O)c1ccc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000819835341 606438138 /nfs/dbraw/zinc/43/81/38/606438138.db2.gz WFIHNIPYHLOJCX-UHFFFAOYSA-N -1 1 315.720 2.910 20 0 DFADMM CC(=O)c1ccc(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000819835341 606438140 /nfs/dbraw/zinc/43/81/40/606438140.db2.gz WFIHNIPYHLOJCX-UHFFFAOYSA-N -1 1 315.720 2.910 20 0 DFADMM Cc1ccc(CCNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000822236385 606466993 /nfs/dbraw/zinc/46/69/93/606466993.db2.gz WYVWQJMYQMIIRZ-UHFFFAOYSA-N -1 1 314.780 2.878 20 0 DFADMM Cc1ccc(CCNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000822236385 606466994 /nfs/dbraw/zinc/46/69/94/606466994.db2.gz WYVWQJMYQMIIRZ-UHFFFAOYSA-N -1 1 314.780 2.878 20 0 DFADMM CC(C)Cn1cc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cn1 ZINC000820107717 606469844 /nfs/dbraw/zinc/46/98/44/606469844.db2.gz ANLNYPXHBGMVIW-UHFFFAOYSA-N -1 1 318.772 2.511 20 0 DFADMM CC(C)Cn1cc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cn1 ZINC000820107717 606469845 /nfs/dbraw/zinc/46/98/45/606469845.db2.gz ANLNYPXHBGMVIW-UHFFFAOYSA-N -1 1 318.772 2.511 20 0 DFADMM C[C@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccncc1 ZINC000820281895 606477067 /nfs/dbraw/zinc/47/70/67/606477067.db2.gz YXAOMJCPIMEXBI-SECBINFHSA-N -1 1 315.768 2.526 20 0 DFADMM C[C@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccncc1 ZINC000820281895 606477069 /nfs/dbraw/zinc/47/70/69/606477069.db2.gz YXAOMJCPIMEXBI-SECBINFHSA-N -1 1 315.768 2.526 20 0 DFADMM O=C(Oc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823455176 606486865 /nfs/dbraw/zinc/48/68/65/606486865.db2.gz YDIJLUHKYCMEDO-UHFFFAOYSA-N -1 1 306.734 2.801 20 0 DFADMM O=C(Oc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823455176 606486867 /nfs/dbraw/zinc/48/68/67/606486867.db2.gz YDIJLUHKYCMEDO-UHFFFAOYSA-N -1 1 306.734 2.801 20 0 DFADMM O=C(Nc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823332831 606486876 /nfs/dbraw/zinc/48/68/76/606486876.db2.gz RWLIWOLULLAMCA-UHFFFAOYSA-N -1 1 305.750 2.834 20 0 DFADMM O=C(Nc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823332831 606486877 /nfs/dbraw/zinc/48/68/77/606486877.db2.gz RWLIWOLULLAMCA-UHFFFAOYSA-N -1 1 305.750 2.834 20 0 DFADMM O=C(NCc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823257716 606488104 /nfs/dbraw/zinc/48/81/04/606488104.db2.gz SNVONLGKWRSJSN-UHFFFAOYSA-N -1 1 319.777 2.512 20 0 DFADMM O=C(NCc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823257716 606488105 /nfs/dbraw/zinc/48/81/05/606488105.db2.gz SNVONLGKWRSJSN-UHFFFAOYSA-N -1 1 319.777 2.512 20 0 DFADMM CC(C)CN(CC(C)C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820087660 606507402 /nfs/dbraw/zinc/50/74/02/606507402.db2.gz VVUVNCPEPIBCGV-UHFFFAOYSA-N -1 1 307.423 2.682 20 0 DFADMM CC(C)CN(CC(C)C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820087660 606507404 /nfs/dbraw/zinc/50/74/04/606507404.db2.gz VVUVNCPEPIBCGV-UHFFFAOYSA-N -1 1 307.423 2.682 20 0 DFADMM CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820980155 606509865 /nfs/dbraw/zinc/50/98/65/606509865.db2.gz KSQSEOYKBVOAMU-VHSXEESVSA-N -1 1 305.407 2.627 20 0 DFADMM CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820980155 606509867 /nfs/dbraw/zinc/50/98/67/606509867.db2.gz KSQSEOYKBVOAMU-VHSXEESVSA-N -1 1 305.407 2.627 20 0 DFADMM CCOc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821431407 606514778 /nfs/dbraw/zinc/51/47/78/606514778.db2.gz SZDHHEHRSATHRJ-UHFFFAOYSA-N -1 1 315.358 2.579 20 0 DFADMM CCOc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821431407 606514779 /nfs/dbraw/zinc/51/47/79/606514779.db2.gz SZDHHEHRSATHRJ-UHFFFAOYSA-N -1 1 315.358 2.579 20 0 DFADMM CC(C)(NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000819988267 606535407 /nfs/dbraw/zinc/53/54/07/606535407.db2.gz WCYMDRPQYHRVDJ-UHFFFAOYSA-N -1 1 313.386 2.593 20 0 DFADMM CC(C)(NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000819988267 606535411 /nfs/dbraw/zinc/53/54/11/606535411.db2.gz WCYMDRPQYHRVDJ-UHFFFAOYSA-N -1 1 313.386 2.593 20 0 DFADMM C[C@H]1CCC[C@H](CCNC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820697376 606564961 /nfs/dbraw/zinc/56/49/61/606564961.db2.gz GIXLYJHPFJETQI-WDEREUQCSA-N -1 1 319.434 2.874 20 0 DFADMM C[C@H]1CCC[C@H](CCNC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820697376 606564962 /nfs/dbraw/zinc/56/49/62/606564962.db2.gz GIXLYJHPFJETQI-WDEREUQCSA-N -1 1 319.434 2.874 20 0 DFADMM c1cc(-c2nc(Cc3ccccc3)no2)sc1-c1nnn[n-]1 ZINC000823787782 606621038 /nfs/dbraw/zinc/62/10/38/606621038.db2.gz QQVZFMXMVDYGPC-UHFFFAOYSA-N -1 1 310.342 2.569 20 0 DFADMM c1cc(-c2nc(Cc3ccccc3)no2)sc1-c1nn[n-]n1 ZINC000823787782 606621039 /nfs/dbraw/zinc/62/10/39/606621039.db2.gz QQVZFMXMVDYGPC-UHFFFAOYSA-N -1 1 310.342 2.569 20 0 DFADMM C[C@H](CC1CCCC1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820235590 606653239 /nfs/dbraw/zinc/65/32/39/606653239.db2.gz SKBNFQNRCNZGGS-LLVKDONJSA-N -1 1 315.377 2.521 20 0 DFADMM C[C@H](CC1CCCC1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820235590 606653240 /nfs/dbraw/zinc/65/32/40/606653240.db2.gz SKBNFQNRCNZGGS-LLVKDONJSA-N -1 1 315.377 2.521 20 0 DFADMM CC(C)[C@H]1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000820044928 606725943 /nfs/dbraw/zinc/72/59/43/606725943.db2.gz JBXKYCYRSSQWAG-LBPRGKRZSA-N -1 1 308.389 2.897 20 0 DFADMM CC(C)[C@H]1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000820044928 606725944 /nfs/dbraw/zinc/72/59/44/606725944.db2.gz JBXKYCYRSSQWAG-LBPRGKRZSA-N -1 1 308.389 2.897 20 0 DFADMM Cc1ccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1Cl ZINC000822227720 607110445 /nfs/dbraw/zinc/11/04/45/607110445.db2.gz TVRKLJOJTHCXFE-UHFFFAOYSA-N -1 1 320.765 2.537 20 0 DFADMM Cc1ccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1Cl ZINC000822227720 607110446 /nfs/dbraw/zinc/11/04/46/607110446.db2.gz TVRKLJOJTHCXFE-UHFFFAOYSA-N -1 1 320.765 2.537 20 0 DFADMM c1cc(N[C@@H]2CCOC3(CCCCC3)C2)nc(-c2nnn[n-]2)c1 ZINC000823756709 607132081 /nfs/dbraw/zinc/13/20/81/607132081.db2.gz FRPPMGJVVNUKBN-GFCCVEGCSA-N -1 1 314.393 2.556 20 0 DFADMM c1cc(N[C@@H]2CCOC3(CCCCC3)C2)nc(-c2nn[n-]n2)c1 ZINC000823756709 607132082 /nfs/dbraw/zinc/13/20/82/607132082.db2.gz FRPPMGJVVNUKBN-GFCCVEGCSA-N -1 1 314.393 2.556 20 0 DFADMM Cc1cc(OC(=O)c2sccc2-c2nn[n-]n2)ccc1F ZINC000822210815 607158789 /nfs/dbraw/zinc/15/87/89/607158789.db2.gz RZSQIGZNODWHCI-UHFFFAOYSA-N -1 1 304.306 2.595 20 0 DFADMM Fc1ccc(CN(CC2CC2)c2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826374006 607900151 /nfs/dbraw/zinc/90/01/51/607900151.db2.gz HVEFGEYZULHHDZ-UHFFFAOYSA-N -1 1 324.363 2.817 20 0 DFADMM Fc1ccc(CN(CC2CC2)c2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826374006 607900152 /nfs/dbraw/zinc/90/01/52/607900152.db2.gz HVEFGEYZULHHDZ-UHFFFAOYSA-N -1 1 324.363 2.817 20 0 DFADMM c1cc(Nc2ccc(OCC3CC3)cc2)nc(-c2nnn[n-]2)c1 ZINC000826518015 607900575 /nfs/dbraw/zinc/90/05/75/607900575.db2.gz YMQCLYOJNRFGIY-UHFFFAOYSA-N -1 1 308.345 2.794 20 0 DFADMM c1cc(Nc2ccc(OCC3CC3)cc2)nc(-c2nn[n-]n2)c1 ZINC000826518015 607900576 /nfs/dbraw/zinc/90/05/76/607900576.db2.gz YMQCLYOJNRFGIY-UHFFFAOYSA-N -1 1 308.345 2.794 20 0 DFADMM CCCCc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000825296907 607926458 /nfs/dbraw/zinc/92/64/58/607926458.db2.gz ZZWSRLADGFCZEZ-UHFFFAOYSA-N -1 1 323.356 2.824 20 0 DFADMM CCCCc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000825296907 607926459 /nfs/dbraw/zinc/92/64/59/607926459.db2.gz ZZWSRLADGFCZEZ-UHFFFAOYSA-N -1 1 323.356 2.824 20 0 DFADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc2c(c1)CCCC2 ZINC000824657245 607988453 /nfs/dbraw/zinc/98/84/53/607988453.db2.gz QBOYOHYJHHZTDL-LLVKDONJSA-N -1 1 321.388 2.709 20 0 DFADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc2c(c1)CCCC2 ZINC000824657245 607988454 /nfs/dbraw/zinc/98/84/54/607988454.db2.gz QBOYOHYJHHZTDL-LLVKDONJSA-N -1 1 321.388 2.709 20 0 DFADMM O=C(Nc1scnc1C1CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000826461544 608102267 /nfs/dbraw/zinc/10/22/67/608102267.db2.gz ZBEXDDZQAOBPTI-UHFFFAOYSA-N -1 1 318.387 2.514 20 0 DFADMM O=C(Nc1scnc1C1CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000826461544 608102268 /nfs/dbraw/zinc/10/22/68/608102268.db2.gz ZBEXDDZQAOBPTI-UHFFFAOYSA-N -1 1 318.387 2.514 20 0 DFADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N[C@H]1CC12CCCCC2 ZINC000826523715 608195044 /nfs/dbraw/zinc/19/50/44/608195044.db2.gz VIQPOTZROWIVAW-ZDUSSCGKSA-N -1 1 321.388 2.945 20 0 DFADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N[C@H]1CC12CCCCC2 ZINC000826523715 608195045 /nfs/dbraw/zinc/19/50/45/608195045.db2.gz VIQPOTZROWIVAW-ZDUSSCGKSA-N -1 1 321.388 2.945 20 0 DFADMM Cc1ccc2c(c1)CCN2c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000826294678 608295730 /nfs/dbraw/zinc/29/57/30/608295730.db2.gz YPWZWWKBQSBGJX-UHFFFAOYSA-N -1 1 312.764 2.918 20 0 DFADMM Cc1ccc2c(c1)CCN2c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000826294678 608295732 /nfs/dbraw/zinc/29/57/32/608295732.db2.gz YPWZWWKBQSBGJX-UHFFFAOYSA-N -1 1 312.764 2.918 20 0 DFADMM CC[C@H](CSC)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825128099 608297002 /nfs/dbraw/zinc/29/70/02/608297002.db2.gz QPMWZAOBEIIPLP-ZCFIWIBFSA-N -1 1 318.859 2.554 20 0 DFADMM CC[C@H](CSC)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825128099 608297004 /nfs/dbraw/zinc/29/70/04/608297004.db2.gz QPMWZAOBEIIPLP-ZCFIWIBFSA-N -1 1 318.859 2.554 20 0 DFADMM Cc1c2ccccc2oc1[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826235907 608399874 /nfs/dbraw/zinc/39/98/74/608399874.db2.gz UJUVSPHPJOTNAM-JTQLQIEISA-N -1 1 321.344 2.884 20 0 DFADMM Cc1c2ccccc2oc1[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826235907 608399876 /nfs/dbraw/zinc/39/98/76/608399876.db2.gz UJUVSPHPJOTNAM-JTQLQIEISA-N -1 1 321.344 2.884 20 0 DFADMM c1ccc([C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C2CCC2)cc1 ZINC000826520157 608415055 /nfs/dbraw/zinc/41/50/55/608415055.db2.gz BIMZJFQXJOGEHM-OAHLLOKOSA-N -1 1 307.361 2.610 20 0 DFADMM c1ccc([C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C2CCC2)cc1 ZINC000826520157 608415058 /nfs/dbraw/zinc/41/50/58/608415058.db2.gz BIMZJFQXJOGEHM-OAHLLOKOSA-N -1 1 307.361 2.610 20 0 DFADMM CCc1ccc(C(C)(C)CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000825704646 608430068 /nfs/dbraw/zinc/43/00/68/608430068.db2.gz LOTCWPWMWVUNTD-UHFFFAOYSA-N -1 1 323.404 2.609 20 0 DFADMM CCc1ccc(C(C)(C)CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000825704646 608430070 /nfs/dbraw/zinc/43/00/70/608430070.db2.gz LOTCWPWMWVUNTD-UHFFFAOYSA-N -1 1 323.404 2.609 20 0 DFADMM O=C(Nc1csc2ccccc12)c1ccc(-c2nnn[n-]2)nc1 ZINC000826459440 609457797 /nfs/dbraw/zinc/45/77/97/609457797.db2.gz JUJMNRICUDKSSB-UHFFFAOYSA-N -1 1 322.353 2.729 20 0 DFADMM O=C(Nc1csc2ccccc12)c1ccc(-c2nn[n-]n2)nc1 ZINC000826459440 609457800 /nfs/dbraw/zinc/45/78/00/609457800.db2.gz JUJMNRICUDKSSB-UHFFFAOYSA-N -1 1 322.353 2.729 20 0 DFADMM Cc1cccc(OC(=O)c2sccc2-c2nn[n-]n2)c1F ZINC000826300497 609621767 /nfs/dbraw/zinc/62/17/67/609621767.db2.gz XEXYSSPYOHNSCU-UHFFFAOYSA-N -1 1 304.306 2.595 20 0 DFADMM CC(C)c1nnc(CCc2nc(-c3ccc([O-])c(F)c3)no2)o1 ZINC000278299397 214074917 /nfs/dbraw/zinc/07/49/17/214074917.db2.gz XLAMOIMPZZQSOL-UHFFFAOYSA-N -1 1 318.308 2.873 20 0 DFADMM [O-]c1ccc(-c2noc([C@H]3CCCc4n[nH]cc43)n2)cc1F ZINC000278320974 214089677 /nfs/dbraw/zinc/08/96/77/214089677.db2.gz YYXDQWNVEUBDAX-VIFPVBQESA-N -1 1 300.293 2.773 20 0 DFADMM Cc1cccc(N2CCN(C(=O)c3cc(F)ccc3[O-])CC2)c1 ZINC000081931664 192341965 /nfs/dbraw/zinc/34/19/65/192341965.db2.gz FHEVSTLSUDNZON-UHFFFAOYSA-N -1 1 314.360 2.802 20 0 DFADMM O=C(c1cc(F)ccc1[O-])N1CCO[C@@H](c2ccccc2)C1 ZINC000081936313 192343251 /nfs/dbraw/zinc/34/32/51/192343251.db2.gz QRKMVUQIQNWPLA-MRXNPFEDSA-N -1 1 301.317 2.745 20 0 DFADMM COC(=O)c1c[n-]c(S[C@@H](C)c2cc(C)c(C(=O)OC)o2)n1 ZINC000278702150 214338239 /nfs/dbraw/zinc/33/82/39/214338239.db2.gz QXWQFSYICYNCII-QMMMGPOBSA-N -1 1 324.358 2.738 20 0 DFADMM CC[C@@H](C)C[C@H](C)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000081952336 192346304 /nfs/dbraw/zinc/34/63/04/192346304.db2.gz KNHIOVRJBSVMEV-MNOVXSKESA-N -1 1 307.438 2.930 20 0 DFADMM Cc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c1 ZINC000006748930 398356566 /nfs/dbraw/zinc/35/65/66/398356566.db2.gz QVUPPZSYFSXYFX-UHFFFAOYSA-N -1 1 314.366 2.637 20 0 DFADMM O=C(CCCc1cc(Cl)sc1Cl)Nc1nnn[n-]1 ZINC000087370895 185222806 /nfs/dbraw/zinc/22/28/06/185222806.db2.gz CBWFUKSSELKCJF-UHFFFAOYSA-N -1 1 306.178 2.529 20 0 DFADMM O=C(CCCc1cc(Cl)sc1Cl)Nc1nn[n-]n1 ZINC000087370895 185222807 /nfs/dbraw/zinc/22/28/07/185222807.db2.gz CBWFUKSSELKCJF-UHFFFAOYSA-N -1 1 306.178 2.529 20 0 DFADMM CCC[C@H](NC(=O)c1cccc(-c2ccoc2)c1)c1nn[n-]n1 ZINC000090061018 185280181 /nfs/dbraw/zinc/28/01/81/185280181.db2.gz VWZQOYLTOKOJFX-AWEZNQCLSA-N -1 1 311.345 2.731 20 0 DFADMM C[C@@H]1CCC[C@@H](CO)[N@H+]1Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000459374131 299090988 /nfs/dbraw/zinc/09/09/88/299090988.db2.gz WUZJGMLUXYFBTL-CJNGLKHVSA-N -1 1 313.401 2.585 20 0 DFADMM CSc1nc(C)c(CCC(=O)Nc2ccc(C)cc2)c(=O)[n-]1 ZINC000014207321 398389018 /nfs/dbraw/zinc/38/90/18/398389018.db2.gz SGMNBXJIWDUQLJ-UHFFFAOYSA-N -1 1 317.414 2.680 20 0 DFADMM CCn1c(CNC(=O)c2sccc2SC)n[n-]c1=S ZINC000066636087 398389985 /nfs/dbraw/zinc/38/99/85/398389985.db2.gz POGRYWUDLOMBOV-UHFFFAOYSA-N -1 1 314.461 2.674 20 0 DFADMM CCCc1n[n-]c(=S)n1CC(=O)Nc1ccc(OC)cc1 ZINC000016598234 398402383 /nfs/dbraw/zinc/40/23/83/398402383.db2.gz URDGOYDRTMYDCM-UHFFFAOYSA-N -1 1 306.391 2.540 20 0 DFADMM CSC[C@H](C)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000066927373 398408038 /nfs/dbraw/zinc/40/80/38/398408038.db2.gz YHFWWRZCDOSNQP-LBPRGKRZSA-N -1 1 321.442 2.813 20 0 DFADMM COc1ccc(-c2nc(C(=O)[N-]c3nncs3)cs2)cc1 ZINC000021215032 398412371 /nfs/dbraw/zinc/41/23/71/398412371.db2.gz NKAVVRMPWPFTSQ-UHFFFAOYSA-N -1 1 318.383 2.923 20 0 DFADMM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1ccc(Br)s1 ZINC000086269876 398419908 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2.654 20 0 DFADMM COc1cc(C(=O)N2CCC[C@@H]2c2cc[nH]n2)cc(Cl)c1[O-] ZINC000331769685 533520086 /nfs/dbraw/zinc/52/00/86/533520086.db2.gz BUTTWOJOGREJAN-GFCCVEGCSA-N -1 1 321.764 2.755 20 0 DFADMM COC(=O)c1ccc(CNC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000603468766 399778343 /nfs/dbraw/zinc/77/83/43/399778343.db2.gz WPTYJUCKPIZQRG-UHFFFAOYSA-N -1 1 319.744 2.762 20 0 DFADMM CC(=O)c1ccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1C ZINC000134778149 542651515 /nfs/dbraw/zinc/65/15/15/542651515.db2.gz LWAIUFTXBMPDDU-AWEZNQCLSA-N -1 1 311.403 2.508 20 0 DFADMM CC(C)SCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000603515012 399785125 /nfs/dbraw/zinc/78/51/25/399785125.db2.gz SXUUBJCVFIZCKP-UHFFFAOYSA-N -1 1 321.442 2.955 20 0 DFADMM CCC(C)(CC)[N-]S(=O)(=O)c1c(F)cc(OC)cc1F ZINC000603506063 399785286 /nfs/dbraw/zinc/78/52/86/399785286.db2.gz FOCOCWSZOLKFLE-UHFFFAOYSA-N -1 1 307.362 2.830 20 0 DFADMM O=C(c1ncc2ccccc2c1[O-])N1CCC[C@@H]1[C@@H]1CCCC1=O ZINC000613124459 399798590 /nfs/dbraw/zinc/79/85/90/399798590.db2.gz WSZHJDKAWLCOEJ-LSDHHAIUSA-N -1 1 324.380 2.914 20 0 DFADMM O=C([N-]c1nc2ccc(Cl)cn2n1)c1coc(C2CCC2)n1 ZINC000194750865 542861739 /nfs/dbraw/zinc/86/17/39/542861739.db2.gz WQZDCYJXXKERSR-UHFFFAOYSA-N -1 1 317.736 2.891 20 0 DFADMM CCCCN(CCCO)C(=O)c1ncc2ccccc2c1[O-] ZINC000613254947 399833113 /nfs/dbraw/zinc/83/31/13/399833113.db2.gz MUHGHFSYHIZGRG-UHFFFAOYSA-N -1 1 302.374 2.565 20 0 DFADMM O=c1nc([C@@H]2CCCCN2Cc2cc(F)ccc2Cl)[nH][n-]1 ZINC000289336452 543007710 /nfs/dbraw/zinc/00/77/10/543007710.db2.gz LKHQVYIKYDXDJZ-LBPRGKRZSA-N -1 1 310.760 2.618 20 0 DFADMM CCCCOc1ccc(CN[C@H](C(=O)[O-])c2ccnn2C)cc1 ZINC000424626658 296517909 /nfs/dbraw/zinc/51/79/09/296517909.db2.gz UOBKYYYPTUCYMH-INIZCTEOSA-N -1 1 317.389 2.515 20 0 DFADMM Cc1ccccc1-c1noc(CN2CCC[C@](C)(C(=O)[O-])C2)n1 ZINC000320530609 543082410 /nfs/dbraw/zinc/08/24/10/543082410.db2.gz IQHHZBXIRKZGPL-KRWDZBQOSA-N -1 1 315.373 2.732 20 0 DFADMM Cc1ccccc1-c1noc(CN2CCCC[C@@H]2CC(=O)[O-])n1 ZINC000320588016 543082420 /nfs/dbraw/zinc/08/24/20/543082420.db2.gz BUDDGALNSDOAKJ-CYBMUJFWSA-N -1 1 315.373 2.874 20 0 DFADMM Cc1ccccc1-c1noc(CN2CCCC[C@H]2CC(=O)[O-])n1 ZINC000320588018 543082555 /nfs/dbraw/zinc/08/25/55/543082555.db2.gz BUDDGALNSDOAKJ-ZDUSSCGKSA-N -1 1 315.373 2.874 20 0 DFADMM O=C([O-])[C@H]1CN(CCOc2ccccc2F)Cc2ccccc21 ZINC000321245747 543084301 /nfs/dbraw/zinc/08/43/01/543084301.db2.gz VHHZONKFXMWBDR-HNNXBMFYSA-N -1 1 315.344 2.889 20 0 DFADMM O=C(Cc1ccc([O-])c(Cl)c1)NCc1noc2c1CCCC2 ZINC000633097533 399845772 /nfs/dbraw/zinc/84/57/72/399845772.db2.gz RJACIXDSTCVGSB-UHFFFAOYSA-N -1 1 320.776 2.771 20 0 DFADMM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)c(F)c2F)o1 ZINC000625112275 399847559 /nfs/dbraw/zinc/84/75/59/399847559.db2.gz CESOYDJHKISQGD-SECBINFHSA-N -1 1 316.329 2.609 20 0 DFADMM O=C(NCCc1ccccc1C(F)(F)F)c1cncc([O-])c1 ZINC000348895987 285715770 /nfs/dbraw/zinc/71/57/70/285715770.db2.gz UOEWVZCVVPABNF-UHFFFAOYSA-N -1 1 310.275 2.779 20 0 DFADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCc3ccccc32)sc1C ZINC000329905627 543109405 /nfs/dbraw/zinc/10/94/05/543109405.db2.gz JQQNXRLSEIFSGM-CYBMUJFWSA-N -1 1 308.428 2.726 20 0 DFADMM CCC[C@@]1(CO)CCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000633122003 399849995 /nfs/dbraw/zinc/84/99/95/399849995.db2.gz WMRAMILPEHCJFM-MRXNPFEDSA-N -1 1 311.809 2.599 20 0 DFADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(N(C)C)nc2)c1 ZINC000337774644 543131953 /nfs/dbraw/zinc/13/19/53/543131953.db2.gz PNQDNDFBVAIPEL-UHFFFAOYSA-N -1 1 323.443 2.670 20 0 DFADMM CCC(F)(F)C(C)(C)CS(=O)(=O)[N-]C1(C(F)F)CC1 ZINC000625188173 399859193 /nfs/dbraw/zinc/85/91/93/399859193.db2.gz KZYVDJXFVCKQFW-UHFFFAOYSA-N -1 1 305.337 2.775 20 0 DFADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCOC[C@@H](C2CCC2)C1 ZINC000633185715 399866521 /nfs/dbraw/zinc/86/65/21/399866521.db2.gz KFECCBXWXQFCIO-AWEZNQCLSA-N -1 1 323.820 2.863 20 0 DFADMM [O-]c1ccc(-c2noc(Cn3cnc4c3CCCC4)n2)c(F)c1 ZINC000350611467 543207830 /nfs/dbraw/zinc/20/78/30/543207830.db2.gz OIPUZSFUVRRCMB-UHFFFAOYSA-N -1 1 314.320 2.705 20 0 DFADMM Cn1[n-]cc2c(=NC(=O)/C=C\c3cccc(Cl)c3)ccnc1-2 ZINC000492901352 299675281 /nfs/dbraw/zinc/67/52/81/299675281.db2.gz OWCRVMQZYOSVSD-MWZLTVTDSA-N -1 1 312.760 2.647 20 0 DFADMM COC1(CC[N-]S(=O)(=O)c2c(F)cc(C)cc2F)CCC1 ZINC000425244703 296560999 /nfs/dbraw/zinc/56/09/99/296560999.db2.gz ZRYISVDZRMZEJX-UHFFFAOYSA-N -1 1 319.373 2.511 20 0 DFADMM C[C@@H]1CN(Cc2cc(-c3cccs3)on2)CC[C@H]1C(=O)[O-] ZINC000385033857 543300004 /nfs/dbraw/zinc/30/00/04/543300004.db2.gz DAFBDELCYGFCOY-ZYHUDNBSSA-N -1 1 306.387 2.946 20 0 DFADMM C[C@H]1CN(Cc2csc(-c3ccco3)n2)CC[C@@H]1C(=O)[O-] ZINC000385862141 543300724 /nfs/dbraw/zinc/30/07/24/543300724.db2.gz JUOWQPIFWXPPBS-JQWIXIFHSA-N -1 1 306.387 2.946 20 0 DFADMM O=C([O-])C[C@H]1CCCN1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000386859977 543301378 /nfs/dbraw/zinc/30/13/78/543301378.db2.gz ZMVIBLKKAMBMKA-GFCCVEGCSA-N -1 1 321.764 2.829 20 0 DFADMM Cc1ccc(NC(=O)CN2CCCC[C@H]2CC(=O)[O-])c(C)c1 ZINC000387035585 543302243 /nfs/dbraw/zinc/30/22/43/543302243.db2.gz NAGASOBPWPAVEU-AWEZNQCLSA-N -1 1 304.390 2.571 20 0 DFADMM Cc1cc(C)c(NC(=O)[C@H](C)N2CCC[C@H](C(=O)[O-])C2)c(C)c1 ZINC000164665378 145225269 /nfs/dbraw/zinc/22/52/69/145225269.db2.gz NVPQCMGRXLJSTG-GJZGRUSLSA-N -1 1 318.417 2.735 20 0 DFADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@H](c2cc[nH]n2)C1 ZINC000171089294 145259126 /nfs/dbraw/zinc/25/91/26/145259126.db2.gz QKNAKZBNEBAWEB-JTQLQIEISA-N -1 1 305.765 2.789 20 0 DFADMM Cn1cccc1S(=O)(=O)[N-]c1cc(C2C(C)(C)C2(C)C)n[nH]1 ZINC000414454474 543326819 /nfs/dbraw/zinc/32/68/19/543326819.db2.gz QUQIWOPJCQNMMV-UHFFFAOYSA-N -1 1 322.434 2.699 20 0 DFADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)c1 ZINC000172882994 145322483 /nfs/dbraw/zinc/32/24/83/145322483.db2.gz XYJLSFLONWIIJT-UHFFFAOYSA-N -1 1 318.398 2.710 20 0 DFADMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccsc2)cc1 ZINC000174253669 145374194 /nfs/dbraw/zinc/37/41/94/145374194.db2.gz SIUCXZUEMKHOBN-UHFFFAOYSA-N -1 1 322.411 2.676 20 0 DFADMM Cc1nnc(-c2cccc(NC(=O)c3ccc(O)cc3[O-])c2)o1 ZINC000174375640 145377925 /nfs/dbraw/zinc/37/79/25/145377925.db2.gz XOSMDHKIVXMZAF-UHFFFAOYSA-N -1 1 311.297 2.709 20 0 DFADMM C[C@@H]1C[C@H](NC(=O)Cc2ccc([O-])c(Cl)c2)c2nccn21 ZINC000633334502 399887774 /nfs/dbraw/zinc/88/77/74/399887774.db2.gz RPEFZWYNKXXLFK-SKDRFNHKSA-N -1 1 305.765 2.607 20 0 DFADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000633394894 399897785 /nfs/dbraw/zinc/89/77/85/399897785.db2.gz NYPVINBDOSILRE-TZMCWYRMSA-N -1 1 321.804 2.616 20 0 DFADMM Cc1nccnc1CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000631009962 399962324 /nfs/dbraw/zinc/96/23/24/399962324.db2.gz GHFYZIOFRQIOGE-UHFFFAOYSA-N -1 1 302.281 2.592 20 0 DFADMM Cc1nc(SCCO[C@@H]2CC2(F)F)[n-]c(=O)c1C1CC1 ZINC000631023398 399964237 /nfs/dbraw/zinc/96/42/37/399964237.db2.gz PSDOPEUOOJICHS-SECBINFHSA-N -1 1 302.346 2.884 20 0 DFADMM Cc1nc(SCc2nnc3n2CCCC3)[n-]c(=O)c1C1CC1 ZINC000631024633 399964723 /nfs/dbraw/zinc/96/47/23/399964723.db2.gz XHBYYEFCABANCF-UHFFFAOYSA-N -1 1 317.418 2.588 20 0 DFADMM O=C(c1ncc2ccccc2c1[O-])N1CCC(c2ncco2)CC1 ZINC000627944782 399971310 /nfs/dbraw/zinc/97/13/10/399971310.db2.gz TVHREHRRULGFJX-UHFFFAOYSA-N -1 1 323.352 2.948 20 0 DFADMM C[C@H](CNC(=O)Cc1ccc([O-])c(Cl)c1)c1ccccn1 ZINC000633607323 399924233 /nfs/dbraw/zinc/92/42/33/399924233.db2.gz XYTYLVKIIOAYNV-LLVKDONJSA-N -1 1 304.777 2.903 20 0 DFADMM C[C@@H]1COC2(CCC2)CN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633620352 399926121 /nfs/dbraw/zinc/92/61/21/399926121.db2.gz RQOOFEIFIIJPOV-LLVKDONJSA-N -1 1 309.793 2.758 20 0 DFADMM O=C(Cc1ccc([O-])c(Cl)c1)Nc1nnc(C2CC2)s1 ZINC000630773973 399927463 /nfs/dbraw/zinc/92/74/63/399927463.db2.gz DJWSJFTZANQJMP-UHFFFAOYSA-N -1 1 309.778 2.956 20 0 DFADMM C[C@H](c1ccc(Cl)cc1)N(C(=O)CCc1nn[n-]n1)C1CC1 ZINC000630783500 399928757 /nfs/dbraw/zinc/92/87/57/399928757.db2.gz ZLKLSQXXELJVBN-SNVBAGLBSA-N -1 1 319.796 2.538 20 0 DFADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000178326692 145515242 /nfs/dbraw/zinc/51/52/42/145515242.db2.gz OATLYJUSZKWETR-UHFFFAOYSA-N -1 1 307.371 2.813 20 0 DFADMM FC(F)(F)c1nc(=N[C@@H](C2CCC2)[C@H]2CCCO2)s[n-]1 ZINC000631523629 400047359 /nfs/dbraw/zinc/04/73/59/400047359.db2.gz ATYZJWDCKGQWFD-BDAKNGLRSA-N -1 1 307.341 2.738 20 0 DFADMM O=C(N[C@@H](C1CCC1)[C@@H]1CCCO1)c1c(F)ccc([O-])c1F ZINC000634429630 400027859 /nfs/dbraw/zinc/02/78/59/400027859.db2.gz JEDPAQKCLIMRBP-WFASDCNBSA-N -1 1 311.328 2.748 20 0 DFADMM COC[C@H](NC(=O)Cc1ccc([O-])c(Cl)c1)c1ccco1 ZINC000631601060 400057253 /nfs/dbraw/zinc/05/72/53/400057253.db2.gz YUICIBIBLRGCPK-LBPRGKRZSA-N -1 1 309.749 2.685 20 0 DFADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCO[C@@H]2CCC[C@@H]21 ZINC000628823443 400059014 /nfs/dbraw/zinc/05/90/14/400059014.db2.gz DQXRORYEVYXBSS-WCQYABFASA-N -1 1 315.291 2.805 20 0 DFADMM CC(C)CCO[C@H]1CC[C@H](NC(=O)c2cncc([O-])c2)CC1 ZINC000628837101 400059717 /nfs/dbraw/zinc/05/97/17/400059717.db2.gz ULGLYQQXYGIMOX-KOMQPUFPSA-N -1 1 306.406 2.891 20 0 DFADMM Cc1cc(S(=O)(=O)[N-]C2(c3ccccc3)CCC2)sn1 ZINC000631725288 400070497 /nfs/dbraw/zinc/07/04/97/400070497.db2.gz RRSFTOIZWMTXOX-UHFFFAOYSA-N -1 1 308.428 2.809 20 0 DFADMM O=C(Cc1ccc([O-])c(Cl)c1)NC[C@@H](O)C1CCCCC1 ZINC000631812059 400077243 /nfs/dbraw/zinc/07/72/43/400077243.db2.gz ZDZLHPMGCZZQDM-OAHLLOKOSA-N -1 1 311.809 2.646 20 0 DFADMM N=c1nc(CCNc2ccnc3cc(C(F)(F)F)ccc32)o[n-]1 ZINC000443880581 543358323 /nfs/dbraw/zinc/35/83/23/543358323.db2.gz PBTDOBAZMAMZKD-UHFFFAOYSA-N -1 1 323.278 2.704 20 0 DFADMM CSc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000262695778 146383188 /nfs/dbraw/zinc/38/31/88/146383188.db2.gz XHEILNXFRZYPRV-VXGBXAGGSA-N -1 1 322.430 2.532 20 0 DFADMM COc1ccc2nc(CN[C@H](CC(C)C)C(=O)[O-])sc2c1 ZINC000262695203 146383230 /nfs/dbraw/zinc/38/32/30/146383230.db2.gz HPTXEPJOIBJSEY-GFCCVEGCSA-N -1 1 308.403 2.894 20 0 DFADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000507535123 543421279 /nfs/dbraw/zinc/42/12/79/543421279.db2.gz QNJYWYBCMIIAOW-WHFBIAKZSA-N -1 1 316.205 2.741 20 0 DFADMM CN1Cc2ccccc2[C@H](NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC000535327293 543438518 /nfs/dbraw/zinc/43/85/18/543438518.db2.gz ZTQWDGOWJSNPKR-OAHLLOKOSA-N -1 1 316.788 2.962 20 0 DFADMM C[C@@H](NC(=O)c1c[n-]c2c(cnn2C)c1=O)[C@H](C)c1ccccc1 ZINC000355604004 147380524 /nfs/dbraw/zinc/38/05/24/147380524.db2.gz ZYSJDQCQEARPSS-NWDGAFQWSA-N -1 1 324.384 2.596 20 0 DFADMM CC(C)CCO[C@@H]1CCCC[C@@H]1NC(=O)c1cncc([O-])c1 ZINC000355659009 147401044 /nfs/dbraw/zinc/40/10/44/147401044.db2.gz BZIUWZOAKYQLIC-JKSUJKDBSA-N -1 1 306.406 2.891 20 0 DFADMM O=S(=O)([N-]c1ncccc1Br)c1ccsc1 ZINC000350126112 286007834 /nfs/dbraw/zinc/00/78/34/286007834.db2.gz ICRYNCNYXPVJCY-UHFFFAOYSA-N -1 1 319.205 2.706 20 0 DFADMM Cc1ccc(CC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1O ZINC000357953765 148190247 /nfs/dbraw/zinc/19/02/47/148190247.db2.gz DAZMVCHSFGTTIM-UHFFFAOYSA-N -1 1 323.352 2.978 20 0 DFADMM CCOc1cc(C(=O)NCCn2cccc2)cc(Cl)c1[O-] ZINC000358108518 148246385 /nfs/dbraw/zinc/24/63/85/148246385.db2.gz OTUHMZWBPSSYRG-UHFFFAOYSA-N -1 1 308.765 2.676 20 0 DFADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC[C@H](C(C)(C)C)C1)c2=O ZINC000358286221 148318582 /nfs/dbraw/zinc/31/85/82/148318582.db2.gz GAKFEVMQZUVWCD-NSHDSACASA-N -1 1 316.405 2.572 20 0 DFADMM Cc1cnc(C(=O)N(Cc2ccc(O)cc2)CC2CC2)c([O-])c1 ZINC000358560472 148385699 /nfs/dbraw/zinc/38/56/99/148385699.db2.gz SVYDQUAHHLNTDJ-UHFFFAOYSA-N -1 1 312.369 2.854 20 0 DFADMM CC1(c2cccc(Cl)c2)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000361552255 149146482 /nfs/dbraw/zinc/14/64/82/149146482.db2.gz KFCOKKMFIRYQGJ-UHFFFAOYSA-N -1 1 306.797 2.717 20 0 DFADMM Cc1cnc([C@H](C)NC(=O)c2c[nH]c3c(C)cccc3c2=O)o1 ZINC000361617326 149169493 /nfs/dbraw/zinc/16/94/93/149169493.db2.gz BYFLTMYPWWFQFO-NSHDSACASA-N -1 1 311.341 2.624 20 0 DFADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(C)nc2)[nH]n1 ZINC000350898645 286098912 /nfs/dbraw/zinc/09/89/12/286098912.db2.gz SJQKQBPWMNOCRK-SNVBAGLBSA-N -1 1 308.407 2.818 20 0 DFADMM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)c(F)c1 ZINC000362870049 149386183 /nfs/dbraw/zinc/38/61/83/149386183.db2.gz YZTYPILQHAMCJH-UHFFFAOYSA-N -1 1 323.324 2.950 20 0 DFADMM O=S(=O)([N-][C@@H]1CCCC(F)(F)C1)c1cccc(F)c1F ZINC000362918811 149396731 /nfs/dbraw/zinc/39/67/31/149396731.db2.gz PYCCFVPROATCLA-MRVPVSSYSA-N -1 1 311.300 2.821 20 0 DFADMM O=S(=O)([N-][C@H](Cc1ccccc1)C(F)(F)F)c1ccoc1 ZINC000351349491 286122782 /nfs/dbraw/zinc/12/27/82/286122782.db2.gz HPXXNFWECPZNMN-GFCCVEGCSA-N -1 1 319.304 2.732 20 0 DFADMM C/C=C\C[C@H](CO)Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000351540881 286147845 /nfs/dbraw/zinc/14/78/45/286147845.db2.gz DWGGLRIIHXUDRR-ZRUQZJFASA-N -1 1 314.389 2.600 20 0 DFADMM O=C(NC[C@H]1CCCn2ccnc21)c1ccc(Cl)cc1[O-] ZINC000371294474 150017661 /nfs/dbraw/zinc/01/76/61/150017661.db2.gz KZTWTNUBTJIDBO-SNVBAGLBSA-N -1 1 305.765 2.550 20 0 DFADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000371458994 150050879 /nfs/dbraw/zinc/05/08/79/150050879.db2.gz SEIDCNQTCKOZLI-OLZOCXBDSA-N -1 1 307.365 2.810 20 0 DFADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2CCO[C@@H]2C)c1 ZINC000351585357 286160401 /nfs/dbraw/zinc/16/04/01/286160401.db2.gz WMDIWJBVGFUMAK-BDAKNGLRSA-N -1 1 314.179 2.827 20 0 DFADMM CC[C@@H](CC1CCCC1)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000372372576 150168700 /nfs/dbraw/zinc/16/87/00/150168700.db2.gz INDGWNFNCHASHB-KBPBESRZSA-N -1 1 305.426 2.512 20 0 DFADMM Cc1nc(CNCc2cccc(OC(F)F)c2)ccc1C(=O)[O-] ZINC000426667195 296634944 /nfs/dbraw/zinc/63/49/44/296634944.db2.gz XRCUJEFMVMQVIY-UHFFFAOYSA-N -1 1 322.311 2.979 20 0 DFADMM O=C([O-])c1cccc(CNCc2cnn(-c3ccccc3)c2)c1 ZINC000426698434 296636884 /nfs/dbraw/zinc/63/68/84/296636884.db2.gz YUWWQZBYJGJHPR-UHFFFAOYSA-N -1 1 307.353 2.860 20 0 DFADMM O=C(NC[C@H]1CCCn2ccnc21)c1cc(Cl)ccc1[O-] ZINC000374411730 150362318 /nfs/dbraw/zinc/36/23/18/150362318.db2.gz MZDCYQKTDAFDOU-SNVBAGLBSA-N -1 1 305.765 2.550 20 0 DFADMM CCOc1cccc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)n1 ZINC000426820175 296642420 /nfs/dbraw/zinc/64/24/20/296642420.db2.gz JVMZLRYRDYZBII-OAHLLOKOSA-N -1 1 304.321 2.535 20 0 DFADMM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(C)cn2)c1 ZINC000426794176 296641074 /nfs/dbraw/zinc/64/10/74/296641074.db2.gz TWLGINRCKFOJLE-MRXNPFEDSA-N -1 1 300.358 2.704 20 0 DFADMM O=C(c1c(F)ccc([O-])c1F)N1CCC[C@H](OCC2CC2)C1 ZINC000377858527 150720677 /nfs/dbraw/zinc/72/06/77/150720677.db2.gz ZJLCIBWFBKGOHL-NSHDSACASA-N -1 1 311.328 2.702 20 0 DFADMM CCC(C)(C)NC(=O)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000351890806 286238457 /nfs/dbraw/zinc/23/84/57/286238457.db2.gz VHTCTJZDWSTJGG-UHFFFAOYSA-N -1 1 305.350 2.517 20 0 DFADMM COc1ccc(/C=C\c2cc(=O)n3[n-]cnc3n2)c2ccccc12 ZINC000352029526 286273973 /nfs/dbraw/zinc/27/39/73/286273973.db2.gz ZWOPHOBWAYVXNW-VURMDHGXSA-N -1 1 318.336 2.750 20 0 DFADMM Cc1cc2cc(/C=C/c3cc(=O)n4[n-]cnc4n3)oc2cc1C ZINC000352029371 286274055 /nfs/dbraw/zinc/27/40/55/286274055.db2.gz YYPPALBKJDVION-ONEGZZNKSA-N -1 1 306.325 2.951 20 0 DFADMM O=c1cc(/C=C/c2cccc(-c3ccccn3)c2)nc2nc[n-]n21 ZINC000352036151 286276007 /nfs/dbraw/zinc/27/60/07/286276007.db2.gz WPIXXHUONSYRPH-BQYQJAHWSA-N -1 1 315.336 2.650 20 0 DFADMM O=c1cc(/C=C/c2cc(F)cc(C(F)(F)F)c2)nc2nc[n-]n21 ZINC000352036156 286276033 /nfs/dbraw/zinc/27/60/33/286276033.db2.gz WRFNASBDXCSJFL-OWOJBTEDSA-N -1 1 324.237 2.746 20 0 DFADMM COCc1ccccc1S(=O)(=O)[N-]c1ncccc1Cl ZINC000352099863 286291551 /nfs/dbraw/zinc/29/15/51/286291551.db2.gz DKWCBFLHSNWYEF-UHFFFAOYSA-N -1 1 312.778 2.682 20 0 DFADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H](C)c2cccc(Cl)c2)n1 ZINC000352164254 286309715 /nfs/dbraw/zinc/30/97/15/286309715.db2.gz OOWWKBFOBZWMMQ-SECBINFHSA-N -1 1 321.764 2.982 20 0 DFADMM O=S(=O)([N-]CC1(C(F)(F)F)CC1)c1cc(F)cc(F)c1 ZINC000352344377 286348874 /nfs/dbraw/zinc/34/88/74/286348874.db2.gz FLPBSOVLSKNSLV-UHFFFAOYSA-N -1 1 315.263 2.586 20 0 DFADMM O=S(=O)([N-]CCC1CCCC1)c1ccc(F)c(F)c1F ZINC000352794081 286469849 /nfs/dbraw/zinc/46/98/49/286469849.db2.gz FGLOKTNIEPMZKP-UHFFFAOYSA-N -1 1 307.337 2.963 20 0 DFADMM C[C@H]([N-]S(=O)(=O)c1ccc(Br)o1)C1CCCC1 ZINC000352862187 286487521 /nfs/dbraw/zinc/48/75/21/286487521.db2.gz MVDIWQZYBCBOBY-QMMMGPOBSA-N -1 1 322.224 2.899 20 0 DFADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2CO[C@H](C)C2)c1 ZINC000439745577 297136709 /nfs/dbraw/zinc/13/67/09/297136709.db2.gz LTTCRDQZDXRHQD-RKDXNWHRSA-N -1 1 314.179 2.827 20 0 DFADMM O=C(Nc1ccc(F)cc1[O-])c1cccc(N2CCOC2=O)c1 ZINC000493474206 299786893 /nfs/dbraw/zinc/78/68/93/299786893.db2.gz WBHWUZHWHVWDRP-UHFFFAOYSA-N -1 1 316.288 2.740 20 0 DFADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(=O)[nH]c2)c1 ZINC000182919971 158011440 /nfs/dbraw/zinc/01/14/40/158011440.db2.gz MJZLNKXJSPUXHZ-UHFFFAOYSA-N -1 1 323.146 2.816 20 0 DFADMM O=C(CNC(=O)c1ccc(F)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000184223238 158029677 /nfs/dbraw/zinc/02/96/77/158029677.db2.gz QGUQNGITOGFYCS-UHFFFAOYSA-N -1 1 322.723 2.553 20 0 DFADMM CCc1noc2ncc(S(=O)(=O)[N-]c3ccccc3F)cc12 ZINC000185566809 158064230 /nfs/dbraw/zinc/06/42/30/158064230.db2.gz SOHFYWZFYBSECR-UHFFFAOYSA-N -1 1 321.333 2.725 20 0 DFADMM Cc1cc(C)nc(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)c1 ZINC000355147522 158284839 /nfs/dbraw/zinc/28/48/39/158284839.db2.gz IMLHIDZMEOIFPK-UHFFFAOYSA-N -1 1 320.352 2.905 20 0 DFADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2CN(C)C)o1 ZINC000358527367 158386557 /nfs/dbraw/zinc/38/65/57/158386557.db2.gz MQTUWUMPABRSJA-UHFFFAOYSA-N -1 1 308.403 2.759 20 0 DFADMM Cc1cnc(C(=O)N[C@@H](C)CCc2ccc(O)cc2)c([O-])c1 ZINC000358551119 158389396 /nfs/dbraw/zinc/38/93/96/158389396.db2.gz WYOUNYPEQQEGMY-LBPRGKRZSA-N -1 1 300.358 2.552 20 0 DFADMM O=C(c1ncccc1[O-])N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000129302979 196037031 /nfs/dbraw/zinc/03/70/31/196037031.db2.gz HJMIYFANAYBHJY-ZDUSSCGKSA-N -1 1 300.333 2.631 20 0 DFADMM O=C([N-]c1nnc(C(F)F)s1)c1noc2c1CCCCC2 ZINC000129773164 196074869 /nfs/dbraw/zinc/07/48/69/196074869.db2.gz CDUIKKJDPSELAM-UHFFFAOYSA-N -1 1 314.317 2.985 20 0 DFADMM CC(C)OCCC[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000130962410 196127928 /nfs/dbraw/zinc/12/79/28/196127928.db2.gz QYITXAHIFBCAEW-UHFFFAOYSA-N -1 1 309.790 2.573 20 0 DFADMM COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ncccc3[O-])C2)cc1 ZINC000131780679 196198785 /nfs/dbraw/zinc/19/87/85/196198785.db2.gz WKEHJMFFYNZROL-GXTWGEPZSA-N -1 1 312.369 2.814 20 0 DFADMM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000132582698 196268218 /nfs/dbraw/zinc/26/82/18/196268218.db2.gz UMQRJSSLQUQWMU-YFKPBYRVSA-N -1 1 317.271 2.561 20 0 DFADMM CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000133126725 196314185 /nfs/dbraw/zinc/31/41/85/196314185.db2.gz BJKRLVTZNHRQFX-VIFPVBQESA-N -1 1 323.817 2.555 20 0 DFADMM CSc1nc(C)c(CCC(=O)Oc2ccc(C)cc2)c(=O)[n-]1 ZINC000054563660 425890897 /nfs/dbraw/zinc/89/08/97/425890897.db2.gz CNBLLFGJOYTHGS-UHFFFAOYSA-N -1 1 318.398 2.647 20 0 DFADMM CN(C)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000055140000 425892462 /nfs/dbraw/zinc/89/24/62/425892462.db2.gz XVKAVWMQSHNXBE-UHFFFAOYSA-N -1 1 320.295 2.625 20 0 DFADMM Cc1cc(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)cnc1Cl ZINC000295275807 224648465 /nfs/dbraw/zinc/64/84/65/224648465.db2.gz ZTDFRNJJRAFWAB-UHFFFAOYSA-N -1 1 316.732 2.663 20 0 DFADMM CC[C@H](C[C@@H](C)CO)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442665624 297199635 /nfs/dbraw/zinc/19/96/35/297199635.db2.gz NGUBFIJABWBJAP-MWLCHTKSSA-N -1 1 315.797 2.581 20 0 DFADMM CO[C@@H](C)c1nsc([N-]C(=O)c2coc(C3CCC3)n2)n1 ZINC000669851871 544000676 /nfs/dbraw/zinc/00/06/76/544000676.db2.gz DVCPRUMVABAFJU-ZETCQYMHSA-N -1 1 308.363 2.753 20 0 DFADMM O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000670405372 544038239 /nfs/dbraw/zinc/03/82/39/544038239.db2.gz OAKUXZOWMMNCJX-ZIAGYGMSSA-N -1 1 319.405 2.698 20 0 DFADMM Cc1cc2ccc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)cn2c1 ZINC000670455327 544043756 /nfs/dbraw/zinc/04/37/56/544043756.db2.gz GOQBXXSLBQONDF-UHFFFAOYSA-N -1 1 309.251 2.637 20 0 DFADMM CC1CCC(N(C[C@H]2CCCO2)C(=O)c2cncc([O-])c2)CC1 ZINC000670791061 544051078 /nfs/dbraw/zinc/05/10/78/544051078.db2.gz OQLMPBJXLCFMPK-PUJMQQBBSA-N -1 1 318.417 2.987 20 0 DFADMM Cn1c(=O)c2ccccc2cc1C(=O)Nc1c([O-])cccc1F ZINC000671785033 544111245 /nfs/dbraw/zinc/11/12/45/544111245.db2.gz UQIHHKBXKWZMCK-UHFFFAOYSA-N -1 1 312.300 2.636 20 0 DFADMM Cc1noc([C@@H]2CCCCN2C(=O)c2ccc([O-])c(F)c2)n1 ZINC000672347066 544135195 /nfs/dbraw/zinc/13/51/95/544135195.db2.gz XPVFPWKKUKOPJL-LBPRGKRZSA-N -1 1 305.309 2.590 20 0 DFADMM O=S(=O)([N-][C@H]1CCCC1(F)F)c1ccc(F)cc1Cl ZINC000672430730 544137756 /nfs/dbraw/zinc/13/77/56/544137756.db2.gz DIGXIQHKBSAQFI-JTQLQIEISA-N -1 1 313.728 2.945 20 0 DFADMM C[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1cc(F)ccc1F ZINC000672730898 544149475 /nfs/dbraw/zinc/14/94/75/544149475.db2.gz LFFBQHBBBXCMQX-SECBINFHSA-N -1 1 305.280 2.731 20 0 DFADMM O=S(=O)(Cc1cccc(Cl)c1)[N-][C@@H]1CCCC1(F)F ZINC000673575583 544185146 /nfs/dbraw/zinc/18/51/46/544185146.db2.gz DWSYMGRUUAVIQN-LLVKDONJSA-N -1 1 309.765 2.947 20 0 DFADMM CCSc1cccc(F)c1[N-]C(=O)c1cc2n(n1)CCO2 ZINC000291450564 222396842 /nfs/dbraw/zinc/39/68/42/222396842.db2.gz CEYBOZPHNLZYKU-UHFFFAOYSA-N -1 1 307.350 2.779 20 0 DFADMM CCCN(CCC)S(=O)(=O)[N-]c1ccn(-c2ccccc2)n1 ZINC000673883465 544204901 /nfs/dbraw/zinc/20/49/01/544204901.db2.gz KWVUEZALHMCKHO-UHFFFAOYSA-N -1 1 322.434 2.651 20 0 DFADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(C)c2O)c1 ZINC000674016177 544214205 /nfs/dbraw/zinc/21/42/05/544214205.db2.gz AVEBRGMXXHRWEA-UHFFFAOYSA-N -1 1 300.314 2.617 20 0 DFADMM Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1O ZINC000674054365 544216563 /nfs/dbraw/zinc/21/65/63/544216563.db2.gz OCOQPLJGKBQWHD-UHFFFAOYSA-N -1 1 321.354 2.508 20 0 DFADMM CCC[C@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1nn[n-]n1 ZINC000674368482 544236114 /nfs/dbraw/zinc/23/61/14/544236114.db2.gz FNIXJHATNPOHTC-NSHDSACASA-N -1 1 318.768 2.606 20 0 DFADMM O=C(Cc1ccn(-c2ccccc2)n1)Nc1c([O-])cccc1F ZINC000675036978 544281961 /nfs/dbraw/zinc/28/19/61/544281961.db2.gz BENSXRAUMZUZHN-UHFFFAOYSA-N -1 1 311.316 2.898 20 0 DFADMM CCC[C@H](NC(=O)c1cc2ccc(F)cc2s1)c1nn[n-]n1 ZINC000675143729 544287436 /nfs/dbraw/zinc/28/74/36/544287436.db2.gz CYBDVKLXQTYMNM-JTQLQIEISA-N -1 1 319.365 2.825 20 0 DFADMM CCCCc1ccc(C(=O)N[C@H](CCC)c2nn[n-]n2)cc1 ZINC000675145485 544287470 /nfs/dbraw/zinc/28/74/70/544287470.db2.gz VMSCDAHGUNJLCU-CQSZACIVSA-N -1 1 301.394 2.814 20 0 DFADMM CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)c1c([O-])cc(F)cc1F ZINC000674759516 544255379 /nfs/dbraw/zinc/25/53/79/544255379.db2.gz JRBSIURDWXQPIK-CHWSQXEVSA-N -1 1 324.371 2.759 20 0 DFADMM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC(F)(F)C2)c(F)cc1F ZINC000675636781 544324315 /nfs/dbraw/zinc/32/43/15/544324315.db2.gz NHLYCECHHSPOLW-MRVPVSSYSA-N -1 1 311.300 2.739 20 0 DFADMM CC(C)(C)c1ccccc1NC(=O)CNC1(C(=O)[O-])CCCC1 ZINC000676232783 544365086 /nfs/dbraw/zinc/36/50/86/544365086.db2.gz YMYFEXZSARUVDF-UHFFFAOYSA-N -1 1 318.417 2.910 20 0 DFADMM Cc1[nH]nc(C(=O)Nc2cccc(OC3CCCC3)c2)c1[O-] ZINC000676630773 544389181 /nfs/dbraw/zinc/38/91/81/544389181.db2.gz DRCPVOHHYXTNSP-UHFFFAOYSA-N -1 1 301.346 2.997 20 0 DFADMM O=C(Nc1c([O-])cccc1F)c1ccc(C(=O)NC2CC2)cc1 ZINC000677488869 544497687 /nfs/dbraw/zinc/49/76/87/544497687.db2.gz IHPBJRAFUUMFOJ-UHFFFAOYSA-N -1 1 314.316 2.676 20 0 DFADMM CSc1ccncc1NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000677290070 544464281 /nfs/dbraw/zinc/46/42/81/544464281.db2.gz UWDMZINNFFNBKJ-UHFFFAOYSA-N -1 1 317.370 2.720 20 0 DFADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000677946212 544569996 /nfs/dbraw/zinc/56/99/96/544569996.db2.gz FYFBPUQYDIWBKR-MRVPVSSYSA-N -1 1 315.304 2.604 20 0 DFADMM COc1cccc(S(=O)(=O)[N-]c2ccnc(SC)c2)c1 ZINC000678031236 544585563 /nfs/dbraw/zinc/58/55/63/544585563.db2.gz OFVXIXDRNYLNQR-UHFFFAOYSA-N -1 1 310.400 2.613 20 0 DFADMM CC(C)Cn1ncc(NC(=O)C2=C([O-])C(C)N=N2)c1C(C)C ZINC000678052841 544589826 /nfs/dbraw/zinc/58/98/26/544589826.db2.gz ZXMFRDVXRNPMTP-UHFFFAOYSA-N -1 1 305.382 2.652 20 0 DFADMM Cc1cc(C)n(C2CN(C(=O)c3ccc(Cl)cc3[O-])C2)n1 ZINC000678313033 544649980 /nfs/dbraw/zinc/64/99/80/544649980.db2.gz LTYMQFKWHCYUDX-UHFFFAOYSA-N -1 1 305.765 2.556 20 0 DFADMM CCOc1ccccc1[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C ZINC000299428048 229112400 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305.761 2.552 20 0 DFADMM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000176500491 426388423 /nfs/dbraw/zinc/38/84/23/426388423.db2.gz RUYVOXQPJOEDRZ-WCQYABFASA-N -1 1 313.401 2.868 20 0 DFADMM CCC(CC)CN(CC)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000122759399 426392710 /nfs/dbraw/zinc/39/27/10/426392710.db2.gz RKWNRHOTATWJBZ-UHFFFAOYSA-N -1 1 301.390 2.821 20 0 DFADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCCN(c2ccccc2)C1 ZINC000153831350 426409235 /nfs/dbraw/zinc/40/92/35/426409235.db2.gz NMFQQKAITUIPMP-OAHLLOKOSA-N -1 1 311.385 2.528 20 0 DFADMM CCC[C@H](NC(=O)c1cc2cc(Cl)ccc2o1)c1nn[n-]n1 ZINC000176751986 426411759 /nfs/dbraw/zinc/41/17/59/426411759.db2.gz ROCLZYZYXJLYOQ-JTQLQIEISA-N -1 1 319.752 2.871 20 0 DFADMM Cc1ccccc1[C@@H]1CN(C(=O)c2ncccc2[O-])[C@H](C)CO1 ZINC000153900122 426412688 /nfs/dbraw/zinc/41/26/88/426412688.db2.gz DXYSERBPDWUANT-CJNGLKHVSA-N -1 1 312.369 2.698 20 0 DFADMM CCc1nc(NC(=O)c2cnc(-c3ccccc3F)s2)n[nH]1 ZINC000123082639 426413269 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COc1cccc(C2=CCN(C(=O)c3ncccc3[O-])CC2)c1 ZINC000362985883 428833751 /nfs/dbraw/zinc/83/37/51/428833751.db2.gz LCVRAFFDSDZHKS-UHFFFAOYSA-N -1 1 310.353 2.725 20 0 DFADMM O=C(Nc1ccncc1[O-])c1csc(-c2ccccc2F)n1 ZINC000345359636 428858560 /nfs/dbraw/zinc/85/85/60/428858560.db2.gz LZIKOEYLGCIHGE-UHFFFAOYSA-N -1 1 315.329 2.724 20 0 DFADMM O=C(NCc1cccc(-c2cccnc2)c1)c1ncccc1[O-] ZINC000345386753 428869386 /nfs/dbraw/zinc/86/93/86/428869386.db2.gz UIHYVEBHRQCVQC-UHFFFAOYSA-N -1 1 305.337 2.779 20 0 DFADMM Cc1nc(-c2ccc(N[C@@H](C)[C@H]3CCOC3)nc2)[n-]c(=O)c1C ZINC000359290663 428904346 /nfs/dbraw/zinc/90/43/46/428904346.db2.gz LQHDJUBOWDHGCJ-JSGCOSHPSA-N -1 1 314.389 2.698 20 0 DFADMM CC(C)[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000451914459 429020138 /nfs/dbraw/zinc/02/01/38/429020138.db2.gz DKDBBMUNMWGJAC-IUCAKERBSA-N -1 1 322.224 2.613 20 0 DFADMM CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1cc(O)cc(F)c1 ZINC000375970973 429030004 /nfs/dbraw/zinc/03/00/04/429030004.db2.gz XRLRIPQTXJBFDJ-IRXDYDNUSA-N -1 1 306.381 2.507 20 0 DFADMM Cc1ccc([C@@H]2CCCN2C(=O)c2nc3ccccc3c(=O)[n-]2)o1 ZINC000375889130 429008219 /nfs/dbraw/zinc/00/82/19/429008219.db2.gz JAKKTHJMODGIJZ-AWEZNQCLSA-N -1 1 323.352 2.802 20 0 DFADMM Cc1nc(-c2ccc(N3Cc4ccccc4C3)nc2)[n-]c(=O)c1C ZINC000172757484 274835586 /nfs/dbraw/zinc/83/55/86/274835586.db2.gz PLMCTPAZTUBLHX-UHFFFAOYSA-N -1 1 318.380 2.969 20 0 DFADMM CCCCc1nnc([N-]C(=O)c2noc3c2C[C@H](C)CC3)s1 ZINC000433578979 429037093 /nfs/dbraw/zinc/03/70/93/429037093.db2.gz SZYQPMADEKHUMR-SECBINFHSA-N -1 1 320.418 3.246 20 0 DFADMM O=S(=O)([N-]CCC[C@H]1CCOC1)c1c(F)cccc1Cl ZINC000452018075 429040103 /nfs/dbraw/zinc/04/01/03/429040103.db2.gz OCCPGSQCDNMPNV-JTQLQIEISA-N -1 1 321.801 2.574 20 0 DFADMM COC[C@H]1CCCN(Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000452079034 429050229 /nfs/dbraw/zinc/05/02/29/429050229.db2.gz HFHRBUVFSZWVMC-NSHDSACASA-N -1 1 307.419 2.645 20 0 DFADMM CC(C)(C)c1ccncc1CNC(=O)C(=O)c1ccc([O-])cc1 ZINC000412560834 429062307 /nfs/dbraw/zinc/06/23/07/429062307.db2.gz CCGQDVNSMSZDGY-UHFFFAOYSA-N -1 1 312.369 2.584 20 0 DFADMM CC[C@@H](C(=O)NCCC(C)(C)C(=O)[O-])N(C)Cc1ccccc1 ZINC000424251839 429115356 /nfs/dbraw/zinc/11/53/56/429115356.db2.gz QSLIIBVFJMWGJM-HNNXBMFYSA-N -1 1 320.433 2.514 20 0 DFADMM CC(C)CCn1c2ccccc2nc1SCc1nn[n-]n1 ZINC000435208522 429126589 /nfs/dbraw/zinc/12/65/89/429126589.db2.gz XDQOFMKCQZDWAK-UHFFFAOYSA-N -1 1 302.407 2.888 20 0 DFADMM CC[C@@H](C)C(=O)CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000436203202 429187920 /nfs/dbraw/zinc/18/79/20/429187920.db2.gz IMEWGDBMGYXJLA-SNVBAGLBSA-N -1 1 310.419 2.771 20 0 DFADMM CC[C@@H](C)C(=O)CSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000436203202 429187921 /nfs/dbraw/zinc/18/79/21/429187921.db2.gz IMEWGDBMGYXJLA-SNVBAGLBSA-N -1 1 310.419 2.771 20 0 DFADMM Cc1ccc2c([O-])c(C(=O)N[C@H]3CCCC(F)(F)C3)cnc2n1 ZINC000488984100 429211674 /nfs/dbraw/zinc/21/16/74/429211674.db2.gz NXNJLXSPYUNKCU-JTQLQIEISA-N -1 1 321.327 2.952 20 0 DFADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@H]1CCCC(F)(F)C1)c2=O ZINC000488984100 429211676 /nfs/dbraw/zinc/21/16/76/429211676.db2.gz NXNJLXSPYUNKCU-JTQLQIEISA-N -1 1 321.327 2.952 20 0 DFADMM O=C(c1cc(F)cc2nn[nH]c21)N1Cc2cccc(Cl)c2C1 ZINC000489117412 429219406 /nfs/dbraw/zinc/21/94/06/429219406.db2.gz PUJVETORTAHNEK-UHFFFAOYSA-N -1 1 316.723 2.906 20 0 DFADMM O=C(Nc1cc2n(n1)CCCC2)c1ccc2ccccc2c1[O-] ZINC000436705498 429201913 /nfs/dbraw/zinc/20/19/13/429201913.db2.gz OSKOCXLYNFCFGS-UHFFFAOYSA-N -1 1 307.353 3.331 20 0 DFADMM COc1ccc(C(=O)Nc2cc(C)n([C@@H](C)C3CC3)n2)c([O-])c1 ZINC000436832036 429202872 /nfs/dbraw/zinc/20/28/72/429202872.db2.gz RGKZKJIXWCFREO-NSHDSACASA-N -1 1 315.373 3.129 20 0 DFADMM O=C1OCCN1c1cccc(CNCc2cc(O)cc(F)c2)c1 ZINC000495381961 429204720 /nfs/dbraw/zinc/20/47/20/429204720.db2.gz HPDCLYFFADNOLI-UHFFFAOYSA-N -1 1 316.332 2.778 20 0 DFADMM Cc1ccn(C2CCN(C(=O)c3cc(F)ccc3[O-])CC2)n1 ZINC000364602824 429233384 /nfs/dbraw/zinc/23/33/84/429233384.db2.gz QIIQROCFBNMXJD-UHFFFAOYSA-N -1 1 303.337 2.514 20 0 DFADMM C[C@H](CC(C)(C)O)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000456082359 429238999 /nfs/dbraw/zinc/23/89/99/429238999.db2.gz IOCDPKVGGVNCHN-MRVPVSSYSA-N -1 1 305.296 2.690 20 0 DFADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000456109501 429242913 /nfs/dbraw/zinc/24/29/13/429242913.db2.gz DJFDQCCXBYBRDQ-BNOWGMLFSA-N -1 1 309.793 2.811 20 0 DFADMM CCC(C)(C)OCC[N-]S(=O)(=O)c1c(F)cc(C)cc1F ZINC000425183693 429243787 /nfs/dbraw/zinc/24/37/87/429243787.db2.gz HGGOXSUZTLYKPO-UHFFFAOYSA-N -1 1 321.389 2.757 20 0 DFADMM CCOCC(C)(C)C[N-]S(=O)(=O)c1c(F)cc(C)cc1F ZINC000425236070 429249555 /nfs/dbraw/zinc/24/95/55/429249555.db2.gz NSQKFYPIMPDKIZ-UHFFFAOYSA-N -1 1 321.389 2.614 20 0 DFADMM Cc1cccc([C@H](C)C(=O)N2CCC(c3n[nH]c(=O)o3)CC2)c1 ZINC000425321655 429264664 /nfs/dbraw/zinc/26/46/64/429264664.db2.gz MXQDGOYUOJAGSO-LBPRGKRZSA-N -1 1 315.373 2.593 20 0 DFADMM Cc1cccc([C@H](C)C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c1 ZINC000425321655 429264668 /nfs/dbraw/zinc/26/46/68/429264668.db2.gz MXQDGOYUOJAGSO-LBPRGKRZSA-N -1 1 315.373 2.593 20 0 DFADMM CCOC[C@H](C)Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000489894838 429266346 /nfs/dbraw/zinc/26/63/46/429266346.db2.gz ZTLZPDNDXDCNLD-JTQLQIEISA-N -1 1 302.378 2.698 20 0 DFADMM COc1cc(C(=O)N2CCSC[C@H](C)C2)cc(Cl)c1[O-] ZINC000490194958 429280282 /nfs/dbraw/zinc/28/02/82/429280282.db2.gz QCVXHZRJEHNMQQ-SECBINFHSA-N -1 1 315.822 2.879 20 0 DFADMM CN(CCOC(=O)c1ccc([O-])cc1F)C(=O)OC(C)(C)C ZINC000495853126 429280559 /nfs/dbraw/zinc/28/05/59/429280559.db2.gz DRWDFUDDZDSIOL-UHFFFAOYSA-N -1 1 313.325 2.555 20 0 DFADMM CCc1cc(=O)[n-]c(S[C@H]2CCc3ccccc3NC2=O)n1 ZINC000365514848 429332418 /nfs/dbraw/zinc/33/24/18/429332418.db2.gz RWBBSWJONFCFIZ-ZDUSSCGKSA-N -1 1 315.398 2.790 20 0 DFADMM CCCOC(=O)[C@H](C)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000365526737 429335364 /nfs/dbraw/zinc/33/53/64/429335364.db2.gz WJZOTMWQLDMSBK-ZDUSSCGKSA-N -1 1 319.401 2.629 20 0 DFADMM CCCc1cc(=O)[n-]c(SCC(=O)COc2ccccc2)n1 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COCC1(CC[N-]S(=O)(=O)c2cc(Cl)ccc2F)CC1 ZINC000518971141 429441495 /nfs/dbraw/zinc/44/14/95/429441495.db2.gz WBOGKBYMRUONRA-UHFFFAOYSA-N -1 1 321.801 2.574 20 0 DFADMM CCOc1cccc(CN[C@H](CC(=O)[O-])c2ccc(F)cc2)n1 ZINC000426769667 429415204 /nfs/dbraw/zinc/41/52/04/429415204.db2.gz KYPHZMMJKFYMGP-OAHLLOKOSA-N -1 1 318.348 2.925 20 0 DFADMM COc1cc(CN[C@H](C(=O)[O-])c2ccccc2F)cc(OC)c1 ZINC000426786364 429416022 /nfs/dbraw/zinc/41/60/22/429416022.db2.gz VBKRXCGTNQTXIX-INIZCTEOSA-N -1 1 319.332 2.758 20 0 DFADMM Cc1cnc(C(=O)NCc2nc3ccccc3n2C2CC2)c([O-])c1 ZINC000427891921 429477516 /nfs/dbraw/zinc/47/75/16/429477516.db2.gz GIPTYLIUUYKMFT-UHFFFAOYSA-N -1 1 322.368 2.710 20 0 DFADMM COc1ccc(CN2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)c(F)c1 ZINC000520412918 429514266 /nfs/dbraw/zinc/51/42/66/429514266.db2.gz FYOFPQINCJIANJ-GHMZBOCLSA-N -1 1 321.270 2.529 20 0 DFADMM CCc1nc(SCC(=O)N2CCCC[C@H]2CC)[n-]c(=O)c1C ZINC000520611120 429524008 /nfs/dbraw/zinc/52/40/08/429524008.db2.gz 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429799484 /nfs/dbraw/zinc/79/94/84/429799484.db2.gz KFNYQSGYRMNAOK-BQBZGAKWSA-N -1 1 313.144 2.559 20 0 DFADMM CC[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1)C(F)F ZINC000451082801 429764754 /nfs/dbraw/zinc/76/47/54/429764754.db2.gz NETJLOMWGSCJQS-SNVBAGLBSA-N -1 1 315.744 2.942 20 0 DFADMM CCOc1ccc(Cl)c([N-]S(=O)(=O)C[C@H](C)OC)c1 ZINC000451091418 429766372 /nfs/dbraw/zinc/76/63/72/429766372.db2.gz JILMLSTYVJJXBM-VIFPVBQESA-N -1 1 307.799 2.515 20 0 DFADMM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000527925634 429820745 /nfs/dbraw/zinc/82/07/45/429820745.db2.gz MUUONXFXQBRDON-DJQAVVSRSA-N -1 1 315.373 2.780 20 0 DFADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@H](n2cccn2)C1 ZINC000368292193 429825441 /nfs/dbraw/zinc/82/54/41/429825441.db2.gz VAIDTQCAVFWCPE-HNNXBMFYSA-N -1 1 307.353 2.829 20 0 DFADMM C[C@@H]1CC(C[N-]S(=O)(=O)c2sccc2Cl)C[C@@H](C)O1 ZINC000451485106 429833534 /nfs/dbraw/zinc/83/35/34/429833534.db2.gz AJAQOEDOSAPVKY-RKDXNWHRSA-N -1 1 323.867 2.883 20 0 DFADMM COCC1(CC[N-]S(=O)(=O)c2sccc2Cl)CCC1 ZINC000451584224 429858688 /nfs/dbraw/zinc/85/86/88/429858688.db2.gz SOSLNBSHIKJXAV-UHFFFAOYSA-N -1 1 323.867 2.887 20 0 DFADMM COC1(C[N-]S(=O)(=O)c2c(F)cccc2Cl)CCCC1 ZINC000451618832 429862863 /nfs/dbraw/zinc/86/28/63/429862863.db2.gz WTWNHQPDNUNIDD-UHFFFAOYSA-N -1 1 321.801 2.717 20 0 DFADMM C[C@@H]1CC[C@H](c2noc(-c3[n-]cnc3C(=O)c3ccccc3)n2)O1 ZINC000528242747 429864657 /nfs/dbraw/zinc/86/46/57/429864657.db2.gz RBEKQPVVAMWBGU-ZYHUDNBSSA-N -1 1 324.340 2.931 20 0 DFADMM C[C@H]1CC[C@H](c2noc(-c3[n-]cnc3C(=O)c3ccccc3)n2)O1 ZINC000528242744 429865195 /nfs/dbraw/zinc/86/51/95/429865195.db2.gz RBEKQPVVAMWBGU-CMPLNLGQSA-N -1 1 324.340 2.931 20 0 DFADMM CCN1CCC[C@H](N=c2nc(-c3ccccc3C)[n-]s2)C1 ZINC000527858692 429809776 /nfs/dbraw/zinc/80/97/76/429809776.db2.gz URLKSDOPDNALNO-ZDUSSCGKSA-N -1 1 302.447 2.832 20 0 DFADMM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000528549580 429898348 /nfs/dbraw/zinc/89/83/48/429898348.db2.gz 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/nfs/dbraw/zinc/02/89/98/430028998.db2.gz PQWQPWPCCILEJO-UHFFFAOYSA-N -1 1 311.794 2.699 20 0 DFADMM O=S(=O)(CC1CCC1)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000634534893 430029004 /nfs/dbraw/zinc/02/90/04/430029004.db2.gz PQWQPWPCCILEJO-UHFFFAOYSA-N -1 1 311.794 2.699 20 0 DFADMM O=C(NCC[C@H]1CCCOC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000529606180 430039245 /nfs/dbraw/zinc/03/92/45/430039245.db2.gz UDFCGAKCTKZQBL-SNVBAGLBSA-N -1 1 317.307 2.958 20 0 DFADMM CC(C)CCn1ccc(NC(=O)Cc2ccc([O-])c(Cl)c2)n1 ZINC000631881108 429990575 /nfs/dbraw/zinc/99/05/75/429990575.db2.gz OOANGYJGYIAVCV-UHFFFAOYSA-N -1 1 321.808 3.469 20 0 DFADMM Cc1nc(CNCc2ccnc3ccccc23)sc1C(=O)[O-] ZINC000559160359 429999532 /nfs/dbraw/zinc/99/95/32/429999532.db2.gz ZIAMFQLXNZMQEG-UHFFFAOYSA-N -1 1 313.382 2.988 20 0 DFADMM COC(=O)c1nc[nH]c1NC(=O)Cc1cccc2ccccc21 ZINC000559237849 430001013 /nfs/dbraw/zinc/00/10/13/430001013.db2.gz WICDSFQCSZTWRQ-UHFFFAOYSA-N -1 1 309.325 2.531 20 0 DFADMM CC(C)C[C@H]1COCCN1CCOc1cccc(C(=O)[O-])c1 ZINC000574091836 430008720 /nfs/dbraw/zinc/00/87/20/430008720.db2.gz KMHPXMPNASUPOK-HNNXBMFYSA-N -1 1 307.390 2.511 20 0 DFADMM Cc1ccnc(-n2[n-]c3c(c2=O)CCN(Cc2ccccc2)C3)c1 ZINC000634600554 430048468 /nfs/dbraw/zinc/04/84/68/430048468.db2.gz LJONGOVRBUFVCB-INIZCTEOSA-N -1 1 320.396 2.615 20 0 DFADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000634483081 430015098 /nfs/dbraw/zinc/01/50/98/430015098.db2.gz GHHCGCRJOPPRSA-QEJZJMRPSA-N -1 1 323.820 2.740 20 0 DFADMM O=C([O-])[C@H]1c2ccccc2CCN1Cc1cc(CO)ccc1F ZINC000530164373 430101214 /nfs/dbraw/zinc/10/12/14/430101214.db2.gz DVYDKCHEDUTNHS-QGZVFWFLSA-N -1 1 315.344 2.502 20 0 DFADMM C[C@@H](CN(C)Cc1ccc(Br)c(F)c1F)C(=O)[O-] ZINC000530212444 430104261 /nfs/dbraw/zinc/10/42/61/430104261.db2.gz TYRSOLJWHDUMFR-ZETCQYMHSA-N -1 1 322.149 2.880 20 0 DFADMM CCc1c(=O)n(-c2nc[nH]n2)[n-]c1-c1cccc(C(F)(F)F)c1 ZINC000634608231 430050646 /nfs/dbraw/zinc/05/06/46/430050646.db2.gz VOUOJSPAOBZIJE-JTQLQIEISA-N -1 1 323.278 2.601 20 0 DFADMM 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1 316.323 2.837 20 0 DFADMM C[C@H](CNc1ncccc1C(=O)[O-])N1CCc2sccc2C1 ZINC000642186369 430503083 /nfs/dbraw/zinc/50/30/83/430503083.db2.gz PCIQQZTXWFHWSQ-LLVKDONJSA-N -1 1 317.414 2.700 20 0 DFADMM CC(C)OC1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000636323184 430514039 /nfs/dbraw/zinc/51/40/39/430514039.db2.gz GJAPFWNCINWRCV-UHFFFAOYSA-N -1 1 303.280 2.660 20 0 DFADMM CCc1nc(C(=O)[N-]c2nnc([C@H]3CCCO3)s2)c(C)o1 ZINC000636356996 430523345 /nfs/dbraw/zinc/52/33/45/430523345.db2.gz JTDCSCQENJIBBR-MRVPVSSYSA-N -1 1 308.363 2.501 20 0 DFADMM CCc1ccc(C(=O)Nc2nnc([C@@H]3CCCO3)s2)c([O-])c1 ZINC000636358890 430523417 /nfs/dbraw/zinc/52/34/17/430523417.db2.gz NNCYZIOSXSNBQH-LBPRGKRZSA-N -1 1 319.386 2.910 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)C[C@H](C)C(C)(C)C ZINC000636430720 430543774 /nfs/dbraw/zinc/54/37/74/430543774.db2.gz JQUZQGNTTNYTAV-VIFPVBQESA-N -1 1 311.451 2.967 20 0 DFADMM COc1cc(C(=O)[N-]c2cc(C3(C)CCCC3)on2)sn1 ZINC000621978100 430607514 /nfs/dbraw/zinc/60/75/14/430607514.db2.gz 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C[C@H](NCc1cccc([O-])c1Cl)c1nnc2ccccn21 ZINC000328413666 533929372 /nfs/dbraw/zinc/92/93/72/533929372.db2.gz XWLLWBDEDJKCKJ-JTQLQIEISA-N -1 1 302.765 2.939 20 0 DFADMM Cn1nnnc1-c1cccc(NCc2cccc([O-])c2Cl)c1 ZINC000328073254 534366440 /nfs/dbraw/zinc/36/64/40/534366440.db2.gz AIUYNCHNHSYXBA-UHFFFAOYSA-N -1 1 315.764 2.848 20 0 DFADMM COC(=O)C12CCC(C(=O)Nc3nc(Cl)ccc3[O-])(CC1)C2 ZINC000366037807 522863482 /nfs/dbraw/zinc/86/34/82/522863482.db2.gz ZNDYECXFSJGFEM-UHFFFAOYSA-N -1 1 324.764 2.503 20 0 DFADMM O=C(c1cc2ccccc2cc1[O-])N1CCC(F)(F)[C@H](CO)C1 ZINC000332524526 534672309 /nfs/dbraw/zinc/67/23/09/534672309.db2.gz NYVGFESWFCOFCH-ZDUSSCGKSA-N -1 1 321.323 2.635 20 0 DFADMM C/C=C/C[C@H](CO)Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000302234992 526294122 /nfs/dbraw/zinc/29/41/22/526294122.db2.gz DWGGLRIIHXUDRR-ISZGNANSSA-N -1 1 314.389 2.600 20 0 DFADMM CC(C)(C)[C@H](CCO)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000330503384 526694322 /nfs/dbraw/zinc/69/43/22/526694322.db2.gz CJFOFCSFKVITKN-LBPRGKRZSA-N 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YPNTUBRWKCCLFP-UHFFFAOYSA-N -1 1 321.398 2.956 20 0 DFADMM O=C([N-]c1nnc(C(F)(F)F)s1)c1coc(C2CC2)n1 ZINC000680844048 545550735 /nfs/dbraw/zinc/55/07/35/545550735.db2.gz ZEBWNIZDLZDUGY-UHFFFAOYSA-N -1 1 304.253 2.675 20 0 DFADMM C[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000680977109 545573904 /nfs/dbraw/zinc/57/39/04/545573904.db2.gz VFMCUAACCRBPBR-VHSXEESVSA-N -1 1 321.801 2.573 20 0 DFADMM O=C(Nc1ccc(N2CCCC2)nc1)c1ccc([O-])c(F)c1 ZINC000681015003 545581730 /nfs/dbraw/zinc/58/17/30/545581730.db2.gz WFKXZKRPNIPLME-UHFFFAOYSA-N -1 1 301.321 2.779 20 0 DFADMM O=C(NCc1ccc(-n2cccn2)cc1)c1ccc([O-])c(F)c1 ZINC000681017519 545582457 /nfs/dbraw/zinc/58/24/57/545582457.db2.gz DADTXVSSWMPECU-UHFFFAOYSA-N -1 1 311.316 2.647 20 0 DFADMM O=C(Nc1cc2c(cc1F)CCC(=O)N2)c1ccc([O-])c(F)c1 ZINC000681018582 545582627 /nfs/dbraw/zinc/58/26/27/545582627.db2.gz NSBZCJAIDBXALZ-UHFFFAOYSA-N -1 1 318.279 2.807 20 0 DFADMM C[C@H](CNC(=O)c1ccc([O-])c(F)c1)N(C)c1ccccc1 ZINC000681019598 545582721 /nfs/dbraw/zinc/58/27/21/545582721.db2.gz LMUKHMWESYWNEH-GFCCVEGCSA-N -1 1 302.349 2.786 20 0 DFADMM O=C(c1ccc([O-])c(F)c1)N1CCCN(c2ccccc2)CC1 ZINC000681018411 545582893 /nfs/dbraw/zinc/58/28/93/545582893.db2.gz BERDQLHILDJMEF-UHFFFAOYSA-N -1 1 314.360 2.884 20 0 DFADMM COCCN(CCc1ccccc1)C(=O)c1ccc([O-])c(F)c1 ZINC000681017219 545582935 /nfs/dbraw/zinc/58/29/35/545582935.db2.gz KEQSVKWUVRSWHC-UHFFFAOYSA-N -1 1 317.360 2.863 20 0 DFADMM C[C@H](COc1cccc(F)c1)NC(=O)c1ccc([O-])c(F)c1 ZINC000681021641 545583853 /nfs/dbraw/zinc/58/38/53/545583853.db2.gz QXJYPQXIBPECPJ-SNVBAGLBSA-N -1 1 307.296 2.868 20 0 DFADMM C[C@@H](CCc1ccc(O)cc1)NC(=O)c1ccc([O-])c(F)c1 ZINC000681057218 545590385 /nfs/dbraw/zinc/59/03/85/545590385.db2.gz LRKJOEQDWRJRJF-NSHDSACASA-N -1 1 303.333 2.988 20 0 DFADMM CC(C)[C@H](NC(=O)c1ccc([O-])c(F)c1)c1nc(C2CC2)no1 ZINC000681038937 545586438 /nfs/dbraw/zinc/58/64/38/545586438.db2.gz FAFNWRQQOGWYHK-ZDUSSCGKSA-N -1 1 319.336 2.919 20 0 DFADMM O=C(N[C@@H]1CCN(c2ccccc2)C1)c1ccc([O-])c(F)c1 ZINC000681044430 545587964 /nfs/dbraw/zinc/58/79/64/545587964.db2.gz WSSRBJXRRZBYGR-CYBMUJFWSA-N -1 1 300.333 2.540 20 0 DFADMM Cc1ccc([C@H]2COCCN2C(=O)c2ccc([O-])c(F)c2)o1 ZINC000681046919 545588066 /nfs/dbraw/zinc/58/80/66/545588066.db2.gz GPALFODFXXLNNB-CYBMUJFWSA-N -1 1 305.305 2.646 20 0 DFADMM O=C(NCc1cccc2c1OCCCO2)c1ccc([O-])c(F)c1 ZINC000681058588 545591010 /nfs/dbraw/zinc/59/10/10/545591010.db2.gz SLKAHBADYGUEQS-UHFFFAOYSA-N -1 1 317.316 2.623 20 0 DFADMM CO[C@H](C)c1nc(CNC(=O)c2ccc([O-])c(F)c2)cs1 ZINC000681053953 545589694 /nfs/dbraw/zinc/58/96/94/545589694.db2.gz GRWZVSCCTXITTP-MRVPVSSYSA-N -1 1 310.350 2.625 20 0 DFADMM COc1cc(OC)c(NC(=O)c2ccc([O-])c(F)c2)cc1F ZINC000681053683 545590064 /nfs/dbraw/zinc/59/00/64/545590064.db2.gz AOGBHDJSQJRHSX-UHFFFAOYSA-N -1 1 309.268 2.940 20 0 DFADMM COc1cccc2c1nc(NC(=O)c1ccc([O-])c(F)c1)n2C ZINC000681205880 545610980 /nfs/dbraw/zinc/61/09/80/545610980.db2.gz CCMJEXAMODRFJP-UHFFFAOYSA-N -1 1 315.304 2.679 20 0 DFADMM Cc1cccc2c(O)c(C(=O)Nc3c([O-])cccc3F)cnc12 ZINC000681521676 545662767 /nfs/dbraw/zinc/66/27/67/545662767.db2.gz BCVPKKPJQBUZNJ-UHFFFAOYSA-N -1 1 312.300 2.934 20 0 DFADMM COc1cccc(Cc2noc(-c3ccc([O-])cc3F)n2)n1 ZINC000681609242 545681689 /nfs/dbraw/zinc/68/16/89/545681689.db2.gz SSSUQTBUMHYZFL-UHFFFAOYSA-N -1 1 301.277 2.576 20 0 DFADMM CC(=O)c1cc(C(=O)Nc2c([O-])cccc2F)c(C)nc1C ZINC000681622891 545683885 /nfs/dbraw/zinc/68/38/85/545683885.db2.gz NYJHOCFSBBPKRB-UHFFFAOYSA-N -1 1 302.305 2.998 20 0 DFADMM Cc1cnc(C(=O)NCc2ccccc2N2CCCC2)c([O-])c1 ZINC000681715272 545707678 /nfs/dbraw/zinc/70/76/78/545707678.db2.gz QBAJCHDDDNZYDP-UHFFFAOYSA-N -1 1 311.385 2.626 20 0 DFADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc2nccn2c1 ZINC000681996394 545769876 /nfs/dbraw/zinc/76/98/76/545769876.db2.gz WKOOTWYOAGMHOK-UHFFFAOYSA-N -1 1 319.411 2.857 20 0 DFADMM COc1ccnc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)c1 ZINC000682364035 545830904 /nfs/dbraw/zinc/83/09/04/545830904.db2.gz UMQAWURREMTKPQ-UHFFFAOYSA-N -1 1 308.721 2.710 20 0 DFADMM NC(=O)c1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)ccc1F ZINC000683072256 545969581 /nfs/dbraw/zinc/96/95/81/545969581.db2.gz ADLIHCMEODLVSI-UHFFFAOYSA-N -1 1 323.711 2.928 20 0 DFADMM CSc1cc([N-]S(=O)(=O)c2cccc(N(C)C)c2)ccn1 ZINC000683142727 545979037 /nfs/dbraw/zinc/97/90/37/545979037.db2.gz PQFZPMGEWUYMJQ-UHFFFAOYSA-N -1 1 323.443 2.670 20 0 DFADMM Cc1nc(CNCc2cccc3cnccc32)ccc1C(=O)[O-] ZINC000683171245 545983689 /nfs/dbraw/zinc/98/36/89/545983689.db2.gz HVARTAIOCOPELV-UHFFFAOYSA-N -1 1 307.353 2.926 20 0 DFADMM O=C([N-]c1ncn(Cc2ccccc2)n1)c1coc(C2CCC2)n1 ZINC000683441153 546033928 /nfs/dbraw/zinc/03/39/28/546033928.db2.gz CQQPEBJFNPXTTI-UHFFFAOYSA-N -1 1 323.356 2.834 20 0 DFADMM O=C(c1ccc([O-])cc1)C1CCN(c2nnc(C3CC3)o2)CC1 ZINC000683458308 546036878 /nfs/dbraw/zinc/03/68/78/546036878.db2.gz DQHBNCOWEKWJLC-UHFFFAOYSA-N -1 1 313.357 2.752 20 0 DFADMM COc1nnc([N-]C(=O)c2cc(-c3ccc(F)cc3)on2)s1 ZINC000683904403 546117824 /nfs/dbraw/zinc/11/78/24/546117824.db2.gz ALGSCQJSNSYHIQ-UHFFFAOYSA-N -1 1 320.305 2.593 20 0 DFADMM CCn1c2ccc(C(=O)[O-])cc2nc1CN1CCC[C@H](C)C1 ZINC000684753397 546273916 /nfs/dbraw/zinc/27/39/16/546273916.db2.gz JELMMOPQNQOHRE-LBPRGKRZSA-N -1 1 301.390 2.986 20 0 DFADMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)[C@H](C)CO1 ZINC000684870355 546295768 /nfs/dbraw/zinc/29/57/68/546295768.db2.gz BYLBFKSUMOZUIX-RKDXNWHRSA-N -1 1 303.280 2.660 20 0 DFADMM CN(C[C@@H]1CCC[C@H]1O)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684877210 546296708 /nfs/dbraw/zinc/29/67/08/546296708.db2.gz MKOWMIZHFKBCRY-CMPLNLGQSA-N -1 1 317.307 2.644 20 0 DFADMM CN(C[C@H]1CCC[C@@H]1O)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684877213 546296763 /nfs/dbraw/zinc/29/67/63/546296763.db2.gz MKOWMIZHFKBCRY-PWSUYJOCSA-N -1 1 317.307 2.644 20 0 DFADMM O=C(c1c(F)ccc([O-])c1F)N1CCOc2ccccc2C1 ZINC000685423875 546346387 /nfs/dbraw/zinc/34/63/87/546346387.db2.gz XKHJXVYPEYXUHR-UHFFFAOYSA-N -1 1 305.280 2.705 20 0 DFADMM CC(C)(C)c1cc([N-]S(=O)(=O)CCc2cccs2)n[nH]1 ZINC000685901766 546406851 /nfs/dbraw/zinc/40/68/51/546406851.db2.gz ZDFHSRJJGGILCT-UHFFFAOYSA-N -1 1 313.448 2.753 20 0 DFADMM O=C(OCCCC1CCCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738220423 598980864 /nfs/dbraw/zinc/98/08/64/598980864.db2.gz HFWOCYSVUMLEIT-UHFFFAOYSA-N -1 1 315.377 2.779 20 0 DFADMM O=C(OCCCC1CCCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738220423 598980865 /nfs/dbraw/zinc/98/08/65/598980865.db2.gz HFWOCYSVUMLEIT-UHFFFAOYSA-N -1 1 315.377 2.779 20 0 DFADMM CC1(C)CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000820596393 599038243 /nfs/dbraw/zinc/03/82/43/599038243.db2.gz OZKCQOWVNJAKHD-UHFFFAOYSA-N -1 1 323.404 2.826 20 0 DFADMM CC1(C)CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000820596393 599038246 /nfs/dbraw/zinc/03/82/46/599038246.db2.gz OZKCQOWVNJAKHD-UHFFFAOYSA-N -1 1 323.404 2.826 20 0 DFADMM C[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)CC[C@H]1c1ccccc1 ZINC000820774377 599050832 /nfs/dbraw/zinc/05/08/32/599050832.db2.gz BOYCPRCPHVVCRS-DZGCQCFKSA-N -1 1 320.400 2.892 20 0 DFADMM C[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)CC[C@H]1c1ccccc1 ZINC000820774377 599050835 /nfs/dbraw/zinc/05/08/35/599050835.db2.gz BOYCPRCPHVVCRS-DZGCQCFKSA-N -1 1 320.400 2.892 20 0 DFADMM CS[C@H]1CC[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000821949167 599072959 /nfs/dbraw/zinc/07/29/59/599072959.db2.gz FRMMYPPFKXHZGL-YUMQZZPRSA-N -1 1 310.814 2.611 20 0 DFADMM CS[C@H]1CC[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000821949167 599072962 /nfs/dbraw/zinc/07/29/62/599072962.db2.gz FRMMYPPFKXHZGL-YUMQZZPRSA-N -1 1 310.814 2.611 20 0 DFADMM C[C@@H](CNc1cccc(-c2nnn[n-]2)n1)Sc1ccccc1 ZINC000820281332 599080174 /nfs/dbraw/zinc/08/01/74/599080174.db2.gz VQNVJNQHZUDKQJ-NSHDSACASA-N -1 1 312.402 2.854 20 0 DFADMM C[C@@H](CNc1cccc(-c2nn[n-]n2)n1)Sc1ccccc1 ZINC000820281332 599080176 /nfs/dbraw/zinc/08/01/76/599080176.db2.gz VQNVJNQHZUDKQJ-NSHDSACASA-N -1 1 312.402 2.854 20 0 DFADMM CC[C@@]1(C)CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000820950072 599089448 /nfs/dbraw/zinc/08/94/48/599089448.db2.gz JDEVIQWWTQWNTA-AWEZNQCLSA-N -1 1 306.801 2.932 20 0 DFADMM CC[C@@]1(C)CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000820950072 599089450 /nfs/dbraw/zinc/08/94/50/599089450.db2.gz JDEVIQWWTQWNTA-AWEZNQCLSA-N -1 1 306.801 2.932 20 0 DFADMM FC(F)(F)CCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000822714145 599103529 /nfs/dbraw/zinc/10/35/29/599103529.db2.gz HICKRAOOJJTALH-UHFFFAOYSA-N -1 1 308.267 2.779 20 0 DFADMM FC(F)(F)CCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000822714145 599103531 /nfs/dbraw/zinc/10/35/31/599103531.db2.gz HICKRAOOJJTALH-UHFFFAOYSA-N -1 1 308.267 2.779 20 0 DFADMM Cc1ccc(C(C)C)c(OC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737317394 599150360 /nfs/dbraw/zinc/15/03/60/599150360.db2.gz KWFXDBAEYLPRRO-UHFFFAOYSA-N -1 1 323.356 2.913 20 0 DFADMM Cc1ccc(C(C)C)c(OC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737317394 599150363 /nfs/dbraw/zinc/15/03/63/599150363.db2.gz KWFXDBAEYLPRRO-UHFFFAOYSA-N -1 1 323.356 2.913 20 0 DFADMM Cc1cccc(NC(=O)[C@H](C)N2CCC[C@H](CC(=O)[O-])C2)c1C ZINC000818944292 597080631 /nfs/dbraw/zinc/08/06/31/597080631.db2.gz OKVAMUAYILPGAB-LSDHHAIUSA-N -1 1 318.417 2.817 20 0 DFADMM CCOc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1F ZINC000821421595 607309657 /nfs/dbraw/zinc/30/96/57/607309657.db2.gz ABKCQLPYCKGXDN-UHFFFAOYSA-N -1 1 303.297 2.610 20 0 DFADMM CCOc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1F ZINC000821421595 607309658 /nfs/dbraw/zinc/30/96/58/607309658.db2.gz ABKCQLPYCKGXDN-UHFFFAOYSA-N -1 1 303.297 2.610 20 0 DFADMM CSCCc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000821970353 607316229 /nfs/dbraw/zinc/31/62/29/607316229.db2.gz MSONUKDAUYELEC-UHFFFAOYSA-N -1 1 315.402 2.977 20 0 DFADMM CSCCc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000821970353 607316230 /nfs/dbraw/zinc/31/62/30/607316230.db2.gz MSONUKDAUYELEC-UHFFFAOYSA-N -1 1 315.402 2.977 20 0 DFADMM O=C([O-])C[C@H]1CCCN(Cn2nc(Cl)c3ccccc32)C1 ZINC000821515589 598135298 /nfs/dbraw/zinc/13/52/98/598135298.db2.gz FUIHRFUIBJMGHJ-LLVKDONJSA-N -1 1 307.781 2.834 20 0 DFADMM Cn1c(CNCc2cccc(C(=O)[O-])c2)nc2cc(F)ccc21 ZINC000821268747 598204040 /nfs/dbraw/zinc/20/40/40/598204040.db2.gz FEBUGZDBSPKJBX-UHFFFAOYSA-N -1 1 313.332 2.700 20 0 DFADMM CC(C)CCc1ccc(Nc2nccnc2-c2nnn[n-]2)cc1 ZINC000735818638 598349240 /nfs/dbraw/zinc/34/92/40/598349240.db2.gz PGEMBEBDKJAKJT-UHFFFAOYSA-N -1 1 309.377 2.989 20 0 DFADMM CC(C)CCc1ccc(Nc2nccnc2-c2nn[n-]n2)cc1 ZINC000735818638 598349241 /nfs/dbraw/zinc/34/92/41/598349241.db2.gz PGEMBEBDKJAKJT-UHFFFAOYSA-N -1 1 309.377 2.989 20 0 DFADMM Cc1cccc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)c1 ZINC000737397027 598504081 /nfs/dbraw/zinc/50/40/81/598504081.db2.gz RHLYMQGHNGKSBR-UHFFFAOYSA-N -1 1 317.352 2.538 20 0 DFADMM CC(C)OCc1ccccc1CNc1cccc(-c2nnn[n-]2)n1 ZINC000735904608 599403616 /nfs/dbraw/zinc/40/36/16/599403616.db2.gz SEIYYNDBPPWKST-UHFFFAOYSA-N -1 1 324.388 2.799 20 0 DFADMM CC(C)OCc1ccccc1CNc1cccc(-c2nn[n-]n2)n1 ZINC000735904608 599403619 /nfs/dbraw/zinc/40/36/19/599403619.db2.gz SEIYYNDBPPWKST-UHFFFAOYSA-N -1 1 324.388 2.799 20 0 DFADMM C[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1c(F)cccc1F ZINC000820431506 599409008 /nfs/dbraw/zinc/40/90/08/599409008.db2.gz GGMCOUYWBHYNMK-MRVPVSSYSA-N -1 1 305.288 2.589 20 0 DFADMM C[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1c(F)cccc1F ZINC000820431506 599409010 /nfs/dbraw/zinc/40/90/10/599409010.db2.gz GGMCOUYWBHYNMK-MRVPVSSYSA-N -1 1 305.288 2.589 20 0 DFADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1c(F)cccc1F ZINC000736138960 599414111 /nfs/dbraw/zinc/41/41/11/599414111.db2.gz SPHYUSZRHNGTEC-MRVPVSSYSA-N -1 1 302.288 2.713 20 0 DFADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1c(F)cccc1F ZINC000736138960 599414112 /nfs/dbraw/zinc/41/41/12/599414112.db2.gz SPHYUSZRHNGTEC-MRVPVSSYSA-N -1 1 302.288 2.713 20 0 DFADMM Cc1ccccc1C(C)(C)CNc1cccc(-c2nnn[n-]2)n1 ZINC000737414907 599425159 /nfs/dbraw/zinc/42/51/59/599425159.db2.gz GHJNRJBSXAVREG-UHFFFAOYSA-N -1 1 308.389 2.960 20 0 DFADMM Cc1ccccc1C(C)(C)CNc1cccc(-c2nn[n-]n2)n1 ZINC000737414907 599425162 /nfs/dbraw/zinc/42/51/62/599425162.db2.gz GHJNRJBSXAVREG-UHFFFAOYSA-N -1 1 308.389 2.960 20 0 DFADMM CCOCCCCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821378753 599485734 /nfs/dbraw/zinc/48/57/34/599485734.db2.gz TXPQPDFIKOPQMF-UHFFFAOYSA-N -1 1 312.377 2.644 20 0 DFADMM CCOCCCCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821378753 599485736 /nfs/dbraw/zinc/48/57/36/599485736.db2.gz TXPQPDFIKOPQMF-UHFFFAOYSA-N -1 1 312.377 2.644 20 0 DFADMM Cc1cc(S(=O)(=O)Nc2ccsc2C(=O)[O-])c(C)s1 ZINC000035306628 599873100 /nfs/dbraw/zinc/87/31/00/599873100.db2.gz LVKOXXQPVORTQM-UHFFFAOYSA-N -1 1 317.413 2.925 20 0 DFADMM O=C([O-])c1sccc1NC(=O)CNC1(c2ccccc2)CC1 ZINC000739308025 599875709 /nfs/dbraw/zinc/87/57/09/599875709.db2.gz FSZKUWNJJYHIJM-UHFFFAOYSA-N -1 1 316.382 2.664 20 0 DFADMM CC(C)N(C(=O)CN(C[C@H](C)C(=O)[O-])C1CC1)c1ccccc1 ZINC000736577634 599950563 /nfs/dbraw/zinc/95/05/63/599950563.db2.gz FFSNQLCZPQQEES-AWEZNQCLSA-N -1 1 318.417 2.613 20 0 DFADMM CC(C)CN(CC(C)C)C(=O)CNC1(C(=O)[O-])CCCCC1 ZINC000736438806 600148872 /nfs/dbraw/zinc/14/88/72/600148872.db2.gz YESWTXWRXBRFDI-UHFFFAOYSA-N -1 1 312.454 2.504 20 0 DFADMM O=C([O-])COc1ccc(C(=O)Nc2cccc(Cl)c2O)cc1 ZINC000739822902 600267970 /nfs/dbraw/zinc/26/79/70/600267970.db2.gz DVEBZFYGWNEFDD-UHFFFAOYSA-N -1 1 321.716 2.761 20 0 DFADMM CCN1CCCC[C@@H]1C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000737117400 600305435 /nfs/dbraw/zinc/30/54/35/600305435.db2.gz ZHTRVGYCFLMTFX-OAHLLOKOSA-N -1 1 319.405 2.609 20 0 DFADMM C[C@@H](CN(C)CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000736570270 600370826 /nfs/dbraw/zinc/37/08/26/600370826.db2.gz CMKAUIOBRRAHKJ-QMMMGPOBSA-N -1 1 319.188 2.584 20 0 DFADMM Cc1c(Br)c(C(=O)[O-])nn1CN(C)CC(C)(C)C ZINC000738252688 600423172 /nfs/dbraw/zinc/42/31/72/600423172.db2.gz HPPFJLSODHNZHC-UHFFFAOYSA-N -1 1 318.215 2.588 20 0 DFADMM CCCOc1ncccc1CN[C@H](C(=O)[O-])c1ccccc1 ZINC000737035973 600429064 /nfs/dbraw/zinc/42/90/64/600429064.db2.gz YQPLAYOGOODWMG-HNNXBMFYSA-N -1 1 300.358 2.786 20 0 DFADMM CO[C@H](CN[C@H](C(=O)[O-])c1cccc(Cl)c1)C(F)(F)F ZINC000737732038 600438082 /nfs/dbraw/zinc/43/80/82/600438082.db2.gz AZCHPSPKVKMJMA-ZJUUUORDSA-N -1 1 311.687 2.633 20 0 DFADMM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC000736717143 600500838 /nfs/dbraw/zinc/50/08/38/600500838.db2.gz LGFUTOVAOLSDAT-CHWSQXEVSA-N -1 1 320.389 2.516 20 0 DFADMM CCc1cc(CNC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)n[nH]1 ZINC000737252021 600511388 /nfs/dbraw/zinc/51/13/88/600511388.db2.gz BQEWUEMYLBKCPS-UHFFFAOYSA-N -1 1 322.752 2.645 20 0 DFADMM C[C@H](CN(Cc1ccccc1)CN1CCSC1=S)C(=O)[O-] ZINC000736585095 600685843 /nfs/dbraw/zinc/68/58/43/600685843.db2.gz SVMFYFPEAGZXHT-GFCCVEGCSA-N -1 1 324.471 2.501 20 0 DFADMM Cc1ccc2nc(CN[C@H](C(=O)[O-])c3ccc(F)cc3)[nH]c2c1 ZINC000832958660 600695375 /nfs/dbraw/zinc/69/53/75/600695375.db2.gz FZJXPSNZLXAEDQ-INIZCTEOSA-N -1 1 313.332 2.926 20 0 DFADMM COc1ccc(-c2n[nH]c(SC/C=C(/C)C(=O)[O-])n2)cc1 ZINC000832134446 600726793 /nfs/dbraw/zinc/72/67/93/600726793.db2.gz SWVAGZPXMAPFFT-CLFYSBASSA-N -1 1 305.359 2.603 20 0 DFADMM COCc1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000831817131 600736657 /nfs/dbraw/zinc/73/66/57/600736657.db2.gz CERWCOMXAHWRSF-INIZCTEOSA-N -1 1 303.333 2.888 20 0 DFADMM C[C@H](C(=O)OCc1ccc(C(=O)[O-])cc1)N1[C@H](C)CC[C@@H]1C ZINC000736760238 600736842 /nfs/dbraw/zinc/73/68/42/600736842.db2.gz AVBCBIAVASKKAH-FRRDWIJNSA-N -1 1 305.374 2.689 20 0 DFADMM CC(=O)Nc1ccccc1CN[C@H](C(=O)[O-])c1ccccc1F ZINC000825917497 600754876 /nfs/dbraw/zinc/75/48/76/600754876.db2.gz MXRNFUHYXWKKCW-INIZCTEOSA-N -1 1 316.332 2.700 20 0 DFADMM O=C([O-])c1cccc(OCCN2CCOC3(CCCCC3)C2)c1 ZINC000833331956 600835140 /nfs/dbraw/zinc/83/51/40/600835140.db2.gz VCHCAMYKSFLZDH-UHFFFAOYSA-N -1 1 319.401 2.799 20 0 DFADMM O=C([O-])C[C@H]1CN(C(=O)c2cccc3c[nH]nc32)c2ccccc21 ZINC000739646886 600910895 /nfs/dbraw/zinc/91/08/95/600910895.db2.gz QENPXJPHBLVIBO-LBPRGKRZSA-N -1 1 321.336 2.782 20 0 DFADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCC2(CCCC2)C1 ZINC000832915152 601039103 /nfs/dbraw/zinc/03/91/03/601039103.db2.gz HRTYMDUDVWWEEN-UHFFFAOYSA-N -1 1 316.401 2.898 20 0 DFADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000832848415 601080103 /nfs/dbraw/zinc/08/01/03/601080103.db2.gz CJOSBTWZLKQREG-UHFFFAOYSA-N -1 1 313.235 2.687 20 0 DFADMM C[C@@H](CN(Cc1ccccc1)Cn1cccnc1=S)C(=O)[O-] ZINC000736583265 601088421 /nfs/dbraw/zinc/08/84/21/601088421.db2.gz MHILKESGSLVAIB-ZDUSSCGKSA-N -1 1 317.414 2.793 20 0 DFADMM CCn1ncc2c1CCC[C@H]2N[C@@H](C(=O)[O-])c1ccccc1F ZINC000737312192 601102354 /nfs/dbraw/zinc/10/23/54/601102354.db2.gz MLZBCUWNCUUMSF-GDBMZVCRSA-N -1 1 317.364 2.835 20 0 DFADMM COC[C@](C)(CC(=O)[O-])NCc1csc(C2CCCC2)n1 ZINC000831583843 601136078 /nfs/dbraw/zinc/13/60/78/601136078.db2.gz AEHSPZNWRNYOBE-HNNXBMFYSA-N -1 1 312.435 2.770 20 0 DFADMM COc1ccc(OC)c(CN(C/C=C(\C)C(=O)[O-])C2CC2)c1 ZINC000832436495 601157329 /nfs/dbraw/zinc/15/73/29/601157329.db2.gz YTVNFLZJJFLFPZ-XYOKQWHBSA-N -1 1 305.374 2.699 20 0 DFADMM C/C(=C\CN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)C(=O)[O-] ZINC000825734668 601170242 /nfs/dbraw/zinc/17/02/42/601170242.db2.gz KFKNIPITKJZGTL-CEFACKQISA-N -1 1 305.349 2.751 20 0 DFADMM CC[C@H](C)c1ccc(NC(=O)CN[C@@](C)(C(=O)[O-])C2CC2)cc1 ZINC000828764843 601174525 /nfs/dbraw/zinc/17/45/25/601174525.db2.gz OJMMWKKCSYBDRB-KPZWWZAWSA-N -1 1 318.417 2.982 20 0 DFADMM C[C@](NCc1cc(-c2ccc(F)cc2)no1)(C(=O)[O-])C1CC1 ZINC000827734975 601175343 /nfs/dbraw/zinc/17/53/43/601175343.db2.gz NRISZASVXIMOOA-MRXNPFEDSA-N -1 1 304.321 2.824 20 0 DFADMM O=C([O-])[C@@H](OC(=O)c1c(F)cc(O)cc1F)c1ccccc1 ZINC000833350024 601189532 /nfs/dbraw/zinc/18/95/32/601189532.db2.gz HXMROBAPDJEMHE-ZDUSSCGKSA-N -1 1 308.236 2.653 20 0 DFADMM CC(C)c1cn(CN(C[C@H](C)C(=O)[O-])C2CC2)c(=S)n1C ZINC000827454508 601299502 /nfs/dbraw/zinc/29/95/02/601299502.db2.gz BDOOEXSSHZSKPR-NSHDSACASA-N -1 1 311.451 2.822 20 0 DFADMM CCC(CC)(CC(=O)[O-])NC(=O)[C@@H](C)N(C)Cc1ccccc1 ZINC000828776731 601305011 /nfs/dbraw/zinc/30/50/11/601305011.db2.gz QJOXPKLFJPKTAF-CQSZACIVSA-N -1 1 320.433 2.657 20 0 DFADMM CC(C)OC1CCN(Cn2nc(C(=O)[O-])c3ccccc32)CC1 ZINC000826995803 601399859 /nfs/dbraw/zinc/39/98/59/601399859.db2.gz NTAQFLSKWCMRES-UHFFFAOYSA-N -1 1 317.389 2.581 20 0 DFADMM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@H]1c1cnn(C)c1 ZINC000830369202 601416811 /nfs/dbraw/zinc/41/68/11/601416811.db2.gz LHIDUXXTSSJXSL-CYBMUJFWSA-N -1 1 303.362 2.611 20 0 DFADMM CC(C)[C@H](C)NC(=O)CN1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000826680892 601430286 /nfs/dbraw/zinc/43/02/86/601430286.db2.gz KINLHKKLXPCPLW-CWRNSKLLSA-N -1 1 324.465 2.503 20 0 DFADMM CCC(C)(C)NC(=O)CN1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000828612060 601430503 /nfs/dbraw/zinc/43/05/03/601430503.db2.gz NCPLOUBSDWZGLT-CABCVRRESA-N -1 1 324.465 2.647 20 0 DFADMM COC[C@](C)(CC(=O)[O-])NCc1csc(-c2ccccc2)n1 ZINC000831585985 601487499 /nfs/dbraw/zinc/48/74/99/601487499.db2.gz QSDLRGFHYJQQDR-INIZCTEOSA-N -1 1 320.414 2.780 20 0 DFADMM C[C@H]1CN(Cc2ccc(Br)c(F)c2)C[C@H]1C(=O)[O-] ZINC000251860822 601504803 /nfs/dbraw/zinc/50/48/03/601504803.db2.gz SLPBGFPXHGDKOF-WCBMZHEXSA-N -1 1 316.170 2.741 20 0 DFADMM C[C@H]1CN(Cc2nc3ccccc3n2C(F)F)C[C@H]1C(=O)[O-] ZINC000828464884 601534355 /nfs/dbraw/zinc/53/43/55/601534355.db2.gz VXXLKRJZFNRSGE-VHSXEESVSA-N -1 1 309.316 2.584 20 0 DFADMM CCCNC(=O)C1(NCc2cc(C(=O)[O-])oc2C)CCCCC1 ZINC000829508284 601597549 /nfs/dbraw/zinc/59/75/49/601597549.db2.gz QKMAEZAWSLVIQO-UHFFFAOYSA-N -1 1 322.405 2.605 20 0 DFADMM C[C@H](N(C)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)C1(C)CC1 ZINC000827603168 601612268 /nfs/dbraw/zinc/61/22/68/601612268.db2.gz GUBQTRWUWTYBNM-JTQLQIEISA-N -1 1 315.373 2.654 20 0 DFADMM Cc1ccc(O)c(NS(=O)(=O)c2cccc(C)c2C(=O)[O-])c1 ZINC000832953644 601617250 /nfs/dbraw/zinc/61/72/50/601617250.db2.gz XXNUPTGNYIZHQC-UHFFFAOYSA-N -1 1 321.354 2.508 20 0 DFADMM O=C([O-])Cc1ccccc1NC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000238095132 601663075 /nfs/dbraw/zinc/66/30/75/601663075.db2.gz CFZSENQHJTWVBK-UHFFFAOYSA-N -1 1 311.297 2.549 20 0 DFADMM O=C([O-])c1sccc1CSc1nc(-c2ccccn2)n[nH]1 ZINC000833348465 601811029 /nfs/dbraw/zinc/81/10/29/601811029.db2.gz LRGXXYAPRDWQAL-UHFFFAOYSA-N -1 1 318.383 2.919 20 0 DFADMM CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1ccsc1C(=O)[O-] ZINC000829140286 601837683 /nfs/dbraw/zinc/83/76/83/601837683.db2.gz CUQOOTXQFYJIKI-KBPBESRZSA-N -1 1 324.446 2.668 20 0 DFADMM c1ccc2[nH]c(CSCc3ccnc(-c4nnn[n-]4)c3)nc2c1 ZINC000826522486 607533167 /nfs/dbraw/zinc/53/31/67/607533167.db2.gz CMGAIAFSGPBLOH-UHFFFAOYSA-N -1 1 323.385 2.571 20 0 DFADMM c1ccc2[nH]c(CSCc3ccnc(-c4nn[n-]n4)c3)nc2c1 ZINC000826522486 607533169 /nfs/dbraw/zinc/53/31/69/607533169.db2.gz CMGAIAFSGPBLOH-UHFFFAOYSA-N -1 1 323.385 2.571 20 0 DFADMM Cc1ccc(NC(=O)[C@@H](C)N2CC[C@@](C)(C(=O)[O-])C2)c(Cl)c1 ZINC000832943373 601930629 /nfs/dbraw/zinc/93/06/29/601930629.db2.gz XDRIJBHQDWWCKM-BDJLRTHQSA-N -1 1 324.808 2.772 20 0 DFADMM CCC[C@H]1CCCN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000829265915 601965539 /nfs/dbraw/zinc/96/55/39/601965539.db2.gz FFTLUUKSOBAGEK-ZDUSSCGKSA-N -1 1 304.390 2.835 20 0 DFADMM O=C([O-])c1sccc1CN1CCN(c2cccs2)CC1 ZINC000833348196 601968392 /nfs/dbraw/zinc/96/83/92/601968392.db2.gz CZJYLHQHNGBAML-UHFFFAOYSA-N -1 1 308.428 2.830 20 0 DFADMM CN(C(=O)[O-])[C@H]1CCCN(Cc2cc(F)cc3cccnc32)C1 ZINC000739582409 601969008 /nfs/dbraw/zinc/96/90/08/601969008.db2.gz CKFRHUSLESSQHT-HNNXBMFYSA-N -1 1 317.364 2.948 20 0 DFADMM Cc1sc(NC(=O)CN2[C@@H](C)CC[C@@H]2C)c(C(=O)[O-])c1C ZINC000833033793 601973320 /nfs/dbraw/zinc/97/33/20/601973320.db2.gz HGIKOKGBYBVODX-IUCAKERBSA-N -1 1 310.419 2.874 20 0 DFADMM O=C([O-])Nc1ccc(OC(=O)[C@@H]2CCCc3[nH]ncc32)cc1 ZINC000833290849 601980409 /nfs/dbraw/zinc/98/04/09/601980409.db2.gz WRACGZYWPJBSSW-LLVKDONJSA-N -1 1 301.302 2.525 20 0 DFADMM C[C@@H](CC(=O)[O-])C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000827310351 602135801 /nfs/dbraw/zinc/13/58/01/602135801.db2.gz HZJYONYBHZLOAA-VIFPVBQESA-N -1 1 301.346 2.880 20 0 DFADMM CC(C)[C@H](C(=O)Nc1cccc(CSCC(=O)[O-])c1)N(C)C ZINC000736349228 602143857 /nfs/dbraw/zinc/14/38/57/602143857.db2.gz KCPGCJMNBRVCCL-OAHLLOKOSA-N -1 1 324.446 2.529 20 0 DFADMM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)c(F)c1 ZINC000832341602 602147113 /nfs/dbraw/zinc/14/71/13/602147113.db2.gz OGSKLEAXYSXTDC-HNNXBMFYSA-N -1 1 307.296 2.889 20 0 DFADMM O=C([O-])Nc1cccc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)c1 ZINC000833291949 602147270 /nfs/dbraw/zinc/14/72/70/602147270.db2.gz WKQPNEXUTPHQAC-UHFFFAOYSA-N -1 1 314.223 2.771 20 0 DFADMM COc1ccc(Cl)c(NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826208405 607549136 /nfs/dbraw/zinc/54/91/36/607549136.db2.gz ISTQVIOSJQPQIR-UHFFFAOYSA-N -1 1 316.752 2.536 20 0 DFADMM COc1ccc(Cl)c(NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826208405 607549137 /nfs/dbraw/zinc/54/91/37/607549137.db2.gz ISTQVIOSJQPQIR-UHFFFAOYSA-N -1 1 316.752 2.536 20 0 DFADMM C[C@@H](CC(=O)[O-])C(=O)O[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000827324368 602191759 /nfs/dbraw/zinc/19/17/59/602191759.db2.gz DIXRUQXMMWAFNZ-YUMQZZPRSA-N -1 1 310.737 2.931 20 0 DFADMM COc1ccc(-c2cnc(CNC(C)(C)CC(=O)[O-])o2)cc1 ZINC000832123862 602260522 /nfs/dbraw/zinc/26/05/22/602260522.db2.gz ANWVECXMTBOFQD-UHFFFAOYSA-N -1 1 304.346 2.693 20 0 DFADMM CCc1ccc(-c2noc(CNC(C)(C)CC(=O)[O-])n2)cc1 ZINC000830229328 602260619 /nfs/dbraw/zinc/26/06/19/602260619.db2.gz PQPTVEJNMDDVDF-UHFFFAOYSA-N -1 1 303.362 2.642 20 0 DFADMM CN(C(=O)[O-])C1CCN(CCOc2ccccc2Cl)CC1 ZINC000737938356 602532762 /nfs/dbraw/zinc/53/27/62/602532762.db2.gz XFDRJWCPHAOCIW-UHFFFAOYSA-N -1 1 312.797 2.793 20 0 DFADMM O=C([O-])Nc1ccccc1NS(=O)(=O)c1cccc(F)c1 ZINC000740715936 602653982 /nfs/dbraw/zinc/65/39/82/602653982.db2.gz IEVBKNWSGYUJOK-UHFFFAOYSA-N -1 1 310.306 2.716 20 0 DFADMM COc1cc(CN2CCC[C@H](CNC(=O)[O-])C2)ccc1SC ZINC000739856475 602735802 /nfs/dbraw/zinc/73/58/02/602735802.db2.gz BEVPFFHEMBCUCM-CYBMUJFWSA-N -1 1 324.446 2.897 20 0 DFADMM COc1cc(CN2CCC[C@H](N(C)C(=O)[O-])C2)ccc1SC ZINC000739860059 602735840 /nfs/dbraw/zinc/73/58/40/602735840.db2.gz NRPLOIIYJJDUFV-ZDUSSCGKSA-N -1 1 324.446 2.991 20 0 DFADMM O=C([O-])N1CCC[C@@H](NCc2ccc(CSC(F)F)o2)C1 ZINC000739925603 603247295 /nfs/dbraw/zinc/24/72/95/603247295.db2.gz BPDRFOYZCGZJFG-SECBINFHSA-N -1 1 320.361 2.967 20 0 DFADMM C[C@@H](NCc1ccc(NC(=O)[O-])nc1)c1ccc2c(c1)OCO2 ZINC000825503615 603535195 /nfs/dbraw/zinc/53/51/95/603535195.db2.gz WCUIQYPTBSGPLB-SNVBAGLBSA-N -1 1 315.329 2.751 20 0 DFADMM CC(C)n1cc([C@H](C)NCc2ccc(NC(=O)[O-])nc2)cn1 ZINC000825503047 603552208 /nfs/dbraw/zinc/55/22/08/603552208.db2.gz NWBJIVOKRXUADP-NSHDSACASA-N -1 1 303.366 2.800 20 0 DFADMM O=C([O-])N[C@@H]1CCC[C@H](C(=O)Nc2cccc(Cl)c2O)C1 ZINC000832324340 603614143 /nfs/dbraw/zinc/61/41/43/603614143.db2.gz HPWQTYAPWMLOGG-DTWKUNHWSA-N -1 1 312.753 2.811 20 0 DFADMM C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000825873003 603704423 /nfs/dbraw/zinc/70/44/23/603704423.db2.gz RWABZCLYAGQXCX-BETUJISGSA-N -1 1 319.405 2.608 20 0 DFADMM C[C@H]1CCC[C@@H](COC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000824927429 608170611 /nfs/dbraw/zinc/17/06/11/608170611.db2.gz OFYJIDGKUKXDBH-VHSXEESVSA-N -1 1 306.391 2.911 20 0 DFADMM CCC[C@@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])C(C)C ZINC000825225242 608171026 /nfs/dbraw/zinc/17/10/26/608171026.db2.gz PEZCSILKEBGLGP-LLVKDONJSA-N -1 1 303.366 2.583 20 0 DFADMM Cc1ccccc1[C@@H]1CN(C[C@H]2CCN(C(=O)[O-])C2)[C@H](C)CO1 ZINC000830559645 604060357 /nfs/dbraw/zinc/06/03/57/604060357.db2.gz NFYIBLCSSYNEBQ-VYDXJSESSA-N -1 1 318.417 2.757 20 0 DFADMM O=C([O-])N(CCNCc1ccc(CO)o1)C1CCCCCC1 ZINC000831830224 604068335 /nfs/dbraw/zinc/06/83/35/604068335.db2.gz HDUHUYJMJMKLGQ-UHFFFAOYSA-N -1 1 310.394 2.564 20 0 DFADMM COc1cc(CN2CCC[C@@H]2CN(C)C(=O)[O-])ccc1SC ZINC000829115149 604092774 /nfs/dbraw/zinc/09/27/74/604092774.db2.gz IRPZTULUAPKVLQ-CYBMUJFWSA-N -1 1 324.446 2.991 20 0 DFADMM CCCCc1nc2ccc(NC(=O)C3(NC(=O)[O-])CC3)cc2[nH]1 ZINC000826847383 604433835 /nfs/dbraw/zinc/43/38/35/604433835.db2.gz ICBWAKVQQMNWHW-UHFFFAOYSA-N -1 1 316.361 2.644 20 0 DFADMM COc1ccc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1C#N ZINC000325487513 604465367 /nfs/dbraw/zinc/46/53/67/604465367.db2.gz CSFDSEYYOOOCHT-QGZVFWFLSA-N -1 1 322.364 2.578 20 0 DFADMM C/C(=C\CN1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1)C(=O)[O-] ZINC000833382119 604474381 /nfs/dbraw/zinc/47/43/81/604474381.db2.gz GZKCJPWFIGOBID-BRADTZPFSA-N -1 1 312.373 2.640 20 0 DFADMM CC(C)[C@H](C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1)N(C)C ZINC000825416931 604511228 /nfs/dbraw/zinc/51/12/28/604511228.db2.gz NDMKENAERYJRJB-SMDDNHRTSA-N -1 1 307.394 2.540 20 0 DFADMM O=C([O-])c1cc(CN2CCC[C@H]2c2ccc3c(c2)OCO3)c[nH]1 ZINC000833780006 604631664 /nfs/dbraw/zinc/63/16/64/604631664.db2.gz QNAOUPAPEFFZCU-AWEZNQCLSA-N -1 1 314.341 2.779 20 0 DFADMM C[C@@H](Oc1ccc(CN2CCOC3(CCCC3)C2)cc1)C(=O)[O-] ZINC000833537833 604657152 /nfs/dbraw/zinc/65/71/52/604657152.db2.gz BAOCUPXMHIOCKT-CQSZACIVSA-N -1 1 319.401 2.684 20 0 DFADMM CC(C)Cc1ncc(CN2CCSC[C@@H]2CC(=O)[O-])s1 ZINC000833494478 604660328 /nfs/dbraw/zinc/66/03/28/604660328.db2.gz RDXXKHCVDWPKIX-NSHDSACASA-N -1 1 314.476 2.734 20 0 DFADMM COc1cc(F)cc(CN[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000833729929 604686333 /nfs/dbraw/zinc/68/63/33/604686333.db2.gz UWBPVNUWYVXNDD-OAHLLOKOSA-N -1 1 307.296 2.889 20 0 DFADMM C/C(=C/CN1CCN([C@@H](C)c2cccc(F)c2)CC1)C(=O)[O-] ZINC000833385516 604717136 /nfs/dbraw/zinc/71/71/36/604717136.db2.gz VYLQAAUSKKBNKH-XMRSSTEGSA-N -1 1 306.381 2.535 20 0 DFADMM CC(C)OC[C@H](C(=O)[O-])N(C)Cc1ccc2ncccc2c1 ZINC000833505086 604767357 /nfs/dbraw/zinc/76/73/57/604767357.db2.gz HBERJBLTEXLEQE-MRXNPFEDSA-N -1 1 302.374 2.545 20 0 DFADMM COc1cc(OC)c([C@H](C)NCCN(C)C(=O)[O-])cc1Cl ZINC000829198424 604955082 /nfs/dbraw/zinc/95/50/82/604955082.db2.gz WKLGLUQRUMRQKF-VIFPVBQESA-N -1 1 316.785 2.618 20 0 DFADMM CCc1oc(C(=O)[O-])cc1CN(C)[C@H]1CCCc2c1cnn2C ZINC000833678257 604986623 /nfs/dbraw/zinc/98/66/23/604986623.db2.gz LSNJUOCNILFTMM-ZDUSSCGKSA-N -1 1 317.389 2.783 20 0 DFADMM COc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2cccnc2)cc1F ZINC000832226445 604987287 /nfs/dbraw/zinc/98/72/87/604987287.db2.gz OODDCGNWNIPSKI-BMIGLBTASA-N -1 1 304.321 2.706 20 0 DFADMM c1ccc([C@H]2CN(c3cccc(-c4nnn[n-]4)n3)CCS2)cc1 ZINC000826520703 607729615 /nfs/dbraw/zinc/72/96/15/607729615.db2.gz PPQHFWBMVWPESF-CQSZACIVSA-N -1 1 324.413 2.556 20 0 DFADMM c1ccc([C@H]2CN(c3cccc(-c4nn[n-]n4)n3)CCS2)cc1 ZINC000826520703 607729616 /nfs/dbraw/zinc/72/96/16/607729616.db2.gz PPQHFWBMVWPESF-CQSZACIVSA-N -1 1 324.413 2.556 20 0 DFADMM C[C@@H](Oc1ccc(CN[C@@H](C)c2ccccn2)cc1)C(=O)[O-] ZINC000833538311 605085326 /nfs/dbraw/zinc/08/53/26/605085326.db2.gz CLRIHPSIUCFDMM-QWHCGFSZSA-N -1 1 300.358 2.784 20 0 DFADMM O=C([O-])c1ccccc1NC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000821552472 605123581 /nfs/dbraw/zinc/12/35/81/605123581.db2.gz OEWLPMFAUOIGDX-UHFFFAOYSA-N -1 1 314.345 2.519 20 0 DFADMM O=C([O-])c1cccc(CN[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000821551766 605138193 /nfs/dbraw/zinc/13/81/93/605138193.db2.gz ZXVCVUDNKFPHEV-HNNXBMFYSA-N -1 1 305.761 2.861 20 0 DFADMM C[C@@H]1CC[C@@]2(CCN(CC(=O)Nc3ccccc3C(=O)[O-])C2)C1 ZINC000833610495 605140741 /nfs/dbraw/zinc/14/07/41/605140741.db2.gz IOZJANSBQHVOOD-FZKQIMNGSA-N -1 1 316.401 2.835 20 0 DFADMM CCN1C[C@H](C)N(C(=O)Nc2ccc(NC(=O)[O-])cc2)C[C@@H]1C ZINC000833655191 605154484 /nfs/dbraw/zinc/15/44/84/605154484.db2.gz AZSXWPOEPFICRW-RYUDHWBXSA-N -1 1 320.393 2.723 20 0 DFADMM CCN1C[C@H](C)N(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)C[C@H]1C ZINC000833657988 605162300 /nfs/dbraw/zinc/16/23/00/605162300.db2.gz PCLSPRWZJWOTMG-OLZOCXBDSA-N -1 1 319.405 2.640 20 0 DFADMM CC(C)(C)c1csc(CN[C@@](C)(CNC(=O)[O-])C2CC2)n1 ZINC000823864327 605162931 /nfs/dbraw/zinc/16/29/31/605162931.db2.gz LPUMPNBRHBHALM-HNNXBMFYSA-N -1 1 311.451 2.967 20 0 DFADMM C[C@@](CNC(=O)[O-])(NCc1ccn(C2CCCC2)n1)C1CC1 ZINC000824952691 605172130 /nfs/dbraw/zinc/17/21/30/605172130.db2.gz RJIWEYGRZCLLQN-INIZCTEOSA-N -1 1 306.410 2.524 20 0 DFADMM CC1=C(C(=O)[O-])C[C@H](CN2CCc3cccc(F)c3[C@@H]2C)O1 ZINC000833577474 605339760 /nfs/dbraw/zinc/33/97/60/605339760.db2.gz HWCDYTAUKDPMKW-GXFFZTMASA-N -1 1 305.349 2.892 20 0 DFADMM CC(C)(C)[C@@H]1CCN(CC(=O)Nc2ccsc2C(=O)[O-])C1 ZINC000833427011 605432475 /nfs/dbraw/zinc/43/24/75/605432475.db2.gz XLMWYZUGMLFZOB-SNVBAGLBSA-N -1 1 310.419 2.753 20 0 DFADMM O=C([O-])N[C@@H]1CCC[C@H]2CN(Cc3ccc(Cl)cn3)C[C@@H]21 ZINC000834184945 605455727 /nfs/dbraw/zinc/45/57/27/605455727.db2.gz SIKCITISSXVZFI-LEWSCRJBSA-N -1 1 309.797 2.603 20 0 DFADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cc3ccc(Cl)nc3)C[C@H]21 ZINC000834182662 605458772 /nfs/dbraw/zinc/45/87/72/605458772.db2.gz NVQKVHWFQYKTJL-JHJVBQTASA-N -1 1 309.797 2.603 20 0 DFADMM Cc1cccn2c(C[N@@H+]3CCCC[C@@H]3[C@@H](C)NC(=O)[O-])cnc12 ZINC000833908381 605509496 /nfs/dbraw/zinc/50/94/96/605509496.db2.gz AXMOGIRKXOTEOY-UKRRQHHQSA-N -1 1 316.405 2.653 20 0 DFADMM Cc1cccn2c(CN3CCCC[C@@H]3[C@@H](C)NC(=O)[O-])cnc12 ZINC000833908381 605509497 /nfs/dbraw/zinc/50/94/97/605509497.db2.gz AXMOGIRKXOTEOY-UKRRQHHQSA-N -1 1 316.405 2.653 20 0 DFADMM CCc1ncc(CN2CCC(CN(CC)C(=O)[O-])CC2)s1 ZINC000833865777 605622364 /nfs/dbraw/zinc/62/23/64/605622364.db2.gz FOQVRMPMDLQBMU-UHFFFAOYSA-N -1 1 311.451 2.917 20 0 DFADMM O=C([O-])N1CCC[C@H](NCc2ccc(CSC(F)F)o2)C1 ZINC000739925604 605631237 /nfs/dbraw/zinc/63/12/37/605631237.db2.gz BPDRFOYZCGZJFG-VIFPVBQESA-N -1 1 320.361 2.967 20 0 DFADMM COc1cc(CN(C)CCN(C)C(=O)[O-])ccc1OC(C)C ZINC000833887624 605728177 /nfs/dbraw/zinc/72/81/77/605728177.db2.gz VCQXMTCYCJGLRI-UHFFFAOYSA-N -1 1 310.394 2.524 20 0 DFADMM O=C([O-])N1CC[C@@H](NCc2nc3cc(Cl)ccc3s2)C1 ZINC000831964563 605843759 /nfs/dbraw/zinc/84/37/59/605843759.db2.gz XWLSPLLYMWDKEG-SECBINFHSA-N -1 1 311.794 2.792 20 0 DFADMM CCS[C@@H]1CCCC[C@@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000821457061 606105882 /nfs/dbraw/zinc/10/58/82/606105882.db2.gz UMEMIVFWNVTDNA-CMPLNLGQSA-N -1 1 304.423 2.738 20 0 DFADMM CCS[C@@H]1CCCC[C@@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000821457061 606105884 /nfs/dbraw/zinc/10/58/84/606105884.db2.gz UMEMIVFWNVTDNA-CMPLNLGQSA-N -1 1 304.423 2.738 20 0 DFADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc2ccccc2o1 ZINC000823294612 606195568 /nfs/dbraw/zinc/19/55/68/606195568.db2.gz JVPBDPDSOOKZCB-UHFFFAOYSA-N -1 1 321.296 2.571 20 0 DFADMM COc1cc(NCc2ccc(-c3nn[n-]n3)s2)cc(OC)c1 ZINC000821723880 606411681 /nfs/dbraw/zinc/41/16/81/606411681.db2.gz LIPMTERQQHRGLQ-UHFFFAOYSA-N -1 1 317.374 2.558 20 0 DFADMM Cc1nc(Sc2ccc(Cl)c(-c3nnn[n-]3)n2)oc1C ZINC000822458587 606446669 /nfs/dbraw/zinc/44/66/69/606446669.db2.gz FCWYNJIHDVBCPU-UHFFFAOYSA-N -1 1 308.754 2.671 20 0 DFADMM Cc1nc(Sc2ccc(Cl)c(-c3nn[n-]n3)n2)oc1C ZINC000822458587 606446670 /nfs/dbraw/zinc/44/66/70/606446670.db2.gz FCWYNJIHDVBCPU-UHFFFAOYSA-N -1 1 308.754 2.671 20 0 DFADMM CCc1ccc(CC)c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000821481789 606459693 /nfs/dbraw/zinc/45/96/93/606459693.db2.gz OBRLILCPPXKSRI-UHFFFAOYSA-N -1 1 322.372 2.639 20 0 DFADMM CCc1ccc(CC)c(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000821481789 606459695 /nfs/dbraw/zinc/45/96/95/606459695.db2.gz OBRLILCPPXKSRI-UHFFFAOYSA-N -1 1 322.372 2.639 20 0 DFADMM Clc1cncc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000822591057 606467288 /nfs/dbraw/zinc/46/72/88/606467288.db2.gz PVJILCLFIHBZDJ-UHFFFAOYSA-N -1 1 309.116 2.756 20 0 DFADMM Clc1cncc(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000822591057 606467289 /nfs/dbraw/zinc/46/72/89/606467289.db2.gz PVJILCLFIHBZDJ-UHFFFAOYSA-N -1 1 309.116 2.756 20 0 DFADMM CSc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821984788 606485532 /nfs/dbraw/zinc/48/55/32/606485532.db2.gz SRYJMDFBBNEUKT-UHFFFAOYSA-N -1 1 317.399 2.902 20 0 DFADMM CSc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821984788 606485533 /nfs/dbraw/zinc/48/55/33/606485533.db2.gz SRYJMDFBBNEUKT-UHFFFAOYSA-N -1 1 317.399 2.902 20 0 DFADMM C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820813427 606485616 /nfs/dbraw/zinc/48/56/16/606485616.db2.gz GTJRTLDUDONGJX-SECBINFHSA-N -1 1 311.370 2.520 20 0 DFADMM C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820813427 606485618 /nfs/dbraw/zinc/48/56/18/606485618.db2.gz GTJRTLDUDONGJX-SECBINFHSA-N -1 1 311.370 2.520 20 0 DFADMM CC(C)CCC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820072869 606486680 /nfs/dbraw/zinc/48/66/80/606486680.db2.gz MFESPDQXFRMORP-SNVBAGLBSA-N -1 1 307.423 2.873 20 0 DFADMM CC(C)CCC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820072869 606486681 /nfs/dbraw/zinc/48/66/81/606486681.db2.gz MFESPDQXFRMORP-SNVBAGLBSA-N -1 1 307.423 2.873 20 0 DFADMM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1F ZINC000822255302 606487450 /nfs/dbraw/zinc/48/74/50/606487450.db2.gz YRFDGKMETHLOKE-UHFFFAOYSA-N -1 1 303.322 2.628 20 0 DFADMM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1F ZINC000822255302 606487451 /nfs/dbraw/zinc/48/74/51/606487451.db2.gz YRFDGKMETHLOKE-UHFFFAOYSA-N -1 1 303.322 2.628 20 0 DFADMM Cc1ccc(F)cc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822241124 606487543 /nfs/dbraw/zinc/48/75/43/606487543.db2.gz LWMPEZQHOLFXIV-UHFFFAOYSA-N -1 1 303.322 2.628 20 0 DFADMM Cc1ccc(F)cc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822241124 606487544 /nfs/dbraw/zinc/48/75/44/606487544.db2.gz LWMPEZQHOLFXIV-UHFFFAOYSA-N -1 1 303.322 2.628 20 0 DFADMM CCOc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821437286 606488555 /nfs/dbraw/zinc/48/85/55/606488555.db2.gz MTHQHXSLQDERJV-UHFFFAOYSA-N -1 1 315.358 2.579 20 0 DFADMM CCOc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821437286 606488556 /nfs/dbraw/zinc/48/85/56/606488556.db2.gz MTHQHXSLQDERJV-UHFFFAOYSA-N -1 1 315.358 2.579 20 0 DFADMM CCOc1ccccc1OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821436570 606488573 /nfs/dbraw/zinc/48/85/73/606488573.db2.gz CBLVZXRBBDTFDA-UHFFFAOYSA-N -1 1 316.342 2.546 20 0 DFADMM CCOc1ccccc1OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821436570 606488574 /nfs/dbraw/zinc/48/85/74/606488574.db2.gz CBLVZXRBBDTFDA-UHFFFAOYSA-N -1 1 316.342 2.546 20 0 DFADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)s1)[C@@H]1CCCC[C@@H]1C ZINC000821160631 606547332 /nfs/dbraw/zinc/54/73/32/606547332.db2.gz NQTYLVLWWUQCDU-WDEREUQCSA-N -1 1 319.434 2.969 20 0 DFADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)s1)[C@@H]1CCCC[C@@H]1C ZINC000821160631 606547333 /nfs/dbraw/zinc/54/73/33/606547333.db2.gz NQTYLVLWWUQCDU-WDEREUQCSA-N -1 1 319.434 2.969 20 0 DFADMM CC(C)(C)[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819906732 606551090 /nfs/dbraw/zinc/55/10/90/606551090.db2.gz JSOMVAUTTOMZGM-NSHDSACASA-N -1 1 305.407 2.579 20 0 DFADMM CC(C)(C)[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819906732 606551092 /nfs/dbraw/zinc/55/10/92/606551092.db2.gz JSOMVAUTTOMZGM-NSHDSACASA-N -1 1 305.407 2.579 20 0 DFADMM C[C@@H]1CCC[C@@H](CCNC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820697374 606564856 /nfs/dbraw/zinc/56/48/56/606564856.db2.gz GIXLYJHPFJETQI-MNOVXSKESA-N -1 1 319.434 2.874 20 0 DFADMM C[C@@H]1CCC[C@@H](CCNC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820697374 606564858 /nfs/dbraw/zinc/56/48/58/606564858.db2.gz GIXLYJHPFJETQI-MNOVXSKESA-N -1 1 319.434 2.874 20 0 DFADMM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821034063 606575830 /nfs/dbraw/zinc/57/58/30/606575830.db2.gz IGBXIFZPCLCDSL-WDEREUQCSA-N -1 1 319.434 2.969 20 0 DFADMM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821034063 606575832 /nfs/dbraw/zinc/57/58/32/606575832.db2.gz IGBXIFZPCLCDSL-WDEREUQCSA-N -1 1 319.434 2.969 20 0 DFADMM c1csc(-c2noc(-c3ccc(-c4nnn[n-]4)s3)n2)c1 ZINC000823815966 606621041 /nfs/dbraw/zinc/62/10/41/606621041.db2.gz MJDZZZDOHINLNQ-UHFFFAOYSA-N -1 1 302.344 2.707 20 0 DFADMM c1csc(-c2noc(-c3ccc(-c4nn[n-]n4)s3)n2)c1 ZINC000823815966 606621042 /nfs/dbraw/zinc/62/10/42/606621042.db2.gz MJDZZZDOHINLNQ-UHFFFAOYSA-N -1 1 302.344 2.707 20 0 DFADMM CC(C)CC1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000820067551 606753095 /nfs/dbraw/zinc/75/30/95/606753095.db2.gz KAOFNSZMXHFOFU-UHFFFAOYSA-N -1 1 319.434 2.827 20 0 DFADMM CC(C)CC1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000820067551 606753097 /nfs/dbraw/zinc/75/30/97/606753097.db2.gz KAOFNSZMXHFOFU-UHFFFAOYSA-N -1 1 319.434 2.827 20 0 DFADMM C[C@@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)C1CCOCC1 ZINC000820451056 606791168 /nfs/dbraw/zinc/79/11/68/606791168.db2.gz SAJPRFBFBRSIMD-LLVKDONJSA-N -1 1 324.388 2.642 20 0 DFADMM C[C@@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)C1CCOCC1 ZINC000820451056 606791171 /nfs/dbraw/zinc/79/11/71/606791171.db2.gz SAJPRFBFBRSIMD-LLVKDONJSA-N -1 1 324.388 2.642 20 0 DFADMM CC1(CNC(=O)c2ccc(-c3nnn[n-]3)s2)CCCCC1 ZINC000820619234 606870916 /nfs/dbraw/zinc/87/09/16/606870916.db2.gz ZVASYPNKHFAEPV-UHFFFAOYSA-N -1 1 305.407 2.628 20 0 DFADMM CC1(CNC(=O)c2ccc(-c3nn[n-]n3)s2)CCCCC1 ZINC000820619234 606870918 /nfs/dbraw/zinc/87/09/18/606870918.db2.gz ZVASYPNKHFAEPV-UHFFFAOYSA-N -1 1 305.407 2.628 20 0 DFADMM CCCC1(CNC(=O)c2ccc(-c3nnn[n-]3)s2)CCC1 ZINC000821034226 606958418 /nfs/dbraw/zinc/95/84/18/606958418.db2.gz JHRJHPSVSXDMMG-UHFFFAOYSA-N -1 1 305.407 2.628 20 0 DFADMM CCCC1(CNC(=O)c2ccc(-c3nn[n-]n3)s2)CCC1 ZINC000821034226 606958419 /nfs/dbraw/zinc/95/84/19/606958419.db2.gz JHRJHPSVSXDMMG-UHFFFAOYSA-N -1 1 305.407 2.628 20 0 DFADMM CCC(=CC(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)CC ZINC000820832778 607092914 /nfs/dbraw/zinc/09/29/14/607092914.db2.gz NPSKSJCRZAMGLS-UHFFFAOYSA-N -1 1 317.397 2.503 20 0 DFADMM CCC(=CC(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)CC ZINC000820832778 607092915 /nfs/dbraw/zinc/09/29/15/607092915.db2.gz NPSKSJCRZAMGLS-UHFFFAOYSA-N -1 1 317.397 2.503 20 0 DFADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1sccc1C1CC1 ZINC000823383315 607110944 /nfs/dbraw/zinc/11/09/44/607110944.db2.gz PLFYOQWVHDJTHW-UHFFFAOYSA-N -1 1 318.387 2.514 20 0 DFADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1sccc1C1CC1 ZINC000823383315 607110946 /nfs/dbraw/zinc/11/09/46/607110946.db2.gz PLFYOQWVHDJTHW-UHFFFAOYSA-N -1 1 318.387 2.514 20 0 DFADMM CCc1nc(COc2cccc(F)c2-c2nnn[n-]2)cs1 ZINC000825745389 607864518 /nfs/dbraw/zinc/86/45/18/607864518.db2.gz LCRTWNJKVFGFMS-UHFFFAOYSA-N -1 1 305.338 2.604 20 0 DFADMM CCc1nc(COc2cccc(F)c2-c2nn[n-]n2)cs1 ZINC000825745389 607864519 /nfs/dbraw/zinc/86/45/19/607864519.db2.gz LCRTWNJKVFGFMS-UHFFFAOYSA-N -1 1 305.338 2.604 20 0 DFADMM Fc1cccc(Oc2cnc3ccccc3n2)c1-c1nnn[n-]1 ZINC000826377935 607867049 /nfs/dbraw/zinc/86/70/49/607867049.db2.gz NIJAIYSYLRCSDI-UHFFFAOYSA-N -1 1 308.276 2.741 20 0 DFADMM Fc1cccc(Oc2cnc3ccccc3n2)c1-c1nn[n-]n1 ZINC000826377935 607867050 /nfs/dbraw/zinc/86/70/50/607867050.db2.gz NIJAIYSYLRCSDI-UHFFFAOYSA-N -1 1 308.276 2.741 20 0 DFADMM c1c(CNc2cccc(-c3nnn[n-]3)n2)onc1-c1ccccc1 ZINC000826519381 607897189 /nfs/dbraw/zinc/89/71/89/607897189.db2.gz WHIWAWULDFSGOZ-UHFFFAOYSA-N -1 1 319.328 2.529 20 0 DFADMM c1c(CNc2cccc(-c3nn[n-]n3)n2)onc1-c1ccccc1 ZINC000826519381 607897190 /nfs/dbraw/zinc/89/71/90/607897190.db2.gz WHIWAWULDFSGOZ-UHFFFAOYSA-N -1 1 319.328 2.529 20 0 DFADMM C[C@H]1C[C@@H]1C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000824900017 607929309 /nfs/dbraw/zinc/92/93/09/607929309.db2.gz RPEIMKMODQKARL-YUMQZZPRSA-N -1 1 305.407 2.820 20 0 DFADMM C[C@H]1C[C@@H]1C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000824900017 607929310 /nfs/dbraw/zinc/92/93/10/607929310.db2.gz RPEIMKMODQKARL-YUMQZZPRSA-N -1 1 305.407 2.820 20 0 DFADMM Cc1ccn(-c2ccccc2NCc2ccc(-c3nnn[n-]3)o2)n1 ZINC000826308627 608055723 /nfs/dbraw/zinc/05/57/23/608055723.db2.gz IKJVJPZSDALRHM-UHFFFAOYSA-N -1 1 321.344 2.566 20 0 DFADMM Cc1ccn(-c2ccccc2NCc2ccc(-c3nn[n-]n3)o2)n1 ZINC000826308627 608055724 /nfs/dbraw/zinc/05/57/24/608055724.db2.gz IKJVJPZSDALRHM-UHFFFAOYSA-N -1 1 321.344 2.566 20 0 DFADMM C[C@H]1CCC[C@H](COC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000824927284 608171948 /nfs/dbraw/zinc/17/19/48/608171948.db2.gz NQKXSVHHZNONAZ-UWVGGRQHSA-N -1 1 306.391 2.911 20 0 DFADMM C[C@H]1CCC[C@H](COC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000824927284 608171949 /nfs/dbraw/zinc/17/19/49/608171949.db2.gz NQKXSVHHZNONAZ-UWVGGRQHSA-N -1 1 306.391 2.911 20 0 DFADMM CCCC(=CC(=O)OCc1ccnc(-c2nnn[n-]2)c1)CCC ZINC000825219484 608178668 /nfs/dbraw/zinc/17/86/68/608178668.db2.gz KASOIJDPVIFXQC-UHFFFAOYSA-N -1 1 315.377 2.832 20 0 DFADMM CCCC(=CC(=O)OCc1ccnc(-c2nn[n-]n2)c1)CCC ZINC000825219484 608178669 /nfs/dbraw/zinc/17/86/69/608178669.db2.gz KASOIJDPVIFXQC-UHFFFAOYSA-N -1 1 315.377 2.832 20 0 DFADMM CC(C)C[C@H]1CCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000824243687 608179748 /nfs/dbraw/zinc/17/97/48/608179748.db2.gz LZBBCAAOYJLTKY-MRVPVSSYSA-N -1 1 312.830 2.992 20 0 DFADMM CC(C)C[C@H]1CCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000824243687 608179749 /nfs/dbraw/zinc/17/97/49/608179749.db2.gz LZBBCAAOYJLTKY-MRVPVSSYSA-N -1 1 312.830 2.992 20 0 DFADMM Fc1ccc(CC2(CNc3cccc(-c4nnn[n-]4)n3)CC2)cc1 ZINC000826374191 608194798 /nfs/dbraw/zinc/19/47/98/608194798.db2.gz PCOHPTWDSNSBCG-UHFFFAOYSA-N -1 1 324.363 2.836 20 0 DFADMM Fc1ccc(CC2(CNc3cccc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000826374191 608194800 /nfs/dbraw/zinc/19/48/00/608194800.db2.gz PCOHPTWDSNSBCG-UHFFFAOYSA-N -1 1 324.363 2.836 20 0 DFADMM CC(C)[C@H]1C[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CCO1 ZINC000824214692 608242321 /nfs/dbraw/zinc/24/23/21/608242321.db2.gz HGZAGBKVWVNGSU-MWLCHTKSSA-N -1 1 322.800 2.531 20 0 DFADMM CC(C)[C@H]1C[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CCO1 ZINC000824214692 608242323 /nfs/dbraw/zinc/24/23/23/608242323.db2.gz HGZAGBKVWVNGSU-MWLCHTKSSA-N -1 1 322.800 2.531 20 0 DFADMM C[C@@H](c1ccc(Cl)cc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824763576 608394496 /nfs/dbraw/zinc/39/44/96/608394496.db2.gz NRBBYCZRHHLKFY-VIFPVBQESA-N -1 1 315.768 2.508 20 0 DFADMM C[C@@H](c1ccc(Cl)cc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824763576 608394498 /nfs/dbraw/zinc/39/44/98/608394498.db2.gz NRBBYCZRHHLKFY-VIFPVBQESA-N -1 1 315.768 2.508 20 0 DFADMM C[C@H](c1ccc(Cl)cc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824763574 608394721 /nfs/dbraw/zinc/39/47/21/608394721.db2.gz NRBBYCZRHHLKFY-SECBINFHSA-N -1 1 315.768 2.508 20 0 DFADMM C[C@H](c1ccc(Cl)cc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824763574 608394724 /nfs/dbraw/zinc/39/47/24/608394724.db2.gz NRBBYCZRHHLKFY-SECBINFHSA-N -1 1 315.768 2.508 20 0 DFADMM Nc1ccc(SCc2ccnc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000826396092 608401905 /nfs/dbraw/zinc/40/19/05/608401905.db2.gz GSYXHVKVKWSJAY-UHFFFAOYSA-N -1 1 318.793 2.790 20 0 DFADMM Nc1ccc(SCc2ccnc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000826396092 608401907 /nfs/dbraw/zinc/40/19/07/608401907.db2.gz GSYXHVKVKWSJAY-UHFFFAOYSA-N -1 1 318.793 2.790 20 0 DFADMM Clc1cccc(CNc2ccc(-c3nnn[n-]3)nn2)c1Cl ZINC000826353586 608407095 /nfs/dbraw/zinc/40/70/95/608407095.db2.gz WCWDNDWLQFUBNW-UHFFFAOYSA-N -1 1 322.159 2.576 20 0 DFADMM Clc1cccc(CNc2ccc(-c3nn[n-]n3)nn2)c1Cl ZINC000826353586 608407096 /nfs/dbraw/zinc/40/70/96/608407096.db2.gz WCWDNDWLQFUBNW-UHFFFAOYSA-N -1 1 322.159 2.576 20 0 DFADMM COc1ccccc1[C@H](C)Sc1ccc(-c2nnn[n-]2)nn1 ZINC000826219175 608424683 /nfs/dbraw/zinc/42/46/83/608424683.db2.gz VDBBRQADRPHKAS-VIFPVBQESA-N -1 1 314.374 2.519 20 0 DFADMM COc1ccccc1[C@H](C)Sc1ccc(-c2nn[n-]n2)nn1 ZINC000826219175 608424685 /nfs/dbraw/zinc/42/46/85/608424685.db2.gz VDBBRQADRPHKAS-VIFPVBQESA-N -1 1 314.374 2.519 20 0 DFADMM c1ccc([C@@H](CC2CC2)Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826520773 608425266 /nfs/dbraw/zinc/42/52/66/608425266.db2.gz QXBPJGLVTGOGSD-CQSZACIVSA-N -1 1 307.361 2.610 20 0 DFADMM c1ccc([C@@H](CC2CC2)Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826520773 608425267 /nfs/dbraw/zinc/42/52/67/608425267.db2.gz QXBPJGLVTGOGSD-CQSZACIVSA-N -1 1 307.361 2.610 20 0 DFADMM Cc1ccc(C)c([C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826285199 608433427 /nfs/dbraw/zinc/43/34/27/608433427.db2.gz RQOQHTOQWBZOIJ-OAHLLOKOSA-N -1 1 321.388 2.615 20 0 DFADMM Cc1ccc(C)c([C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826285199 608433429 /nfs/dbraw/zinc/43/34/29/608433429.db2.gz RQOQHTOQWBZOIJ-OAHLLOKOSA-N -1 1 321.388 2.615 20 0 DFADMM CCOCc1ccc(CNc2nc(-c3nn[n-]n3)ccc2C)cc1 ZINC000825605007 608542376 /nfs/dbraw/zinc/54/23/76/608542376.db2.gz NFKZGQXQJDYCKG-UHFFFAOYSA-N -1 1 324.388 2.719 20 0 DFADMM CCc1cnc(CN(C)Cc2ccc(-c3nn[n-]n3)s2)s1 ZINC000825734258 608741039 /nfs/dbraw/zinc/74/10/39/608741039.db2.gz KOQCWYWHMJSRGK-UHFFFAOYSA-N -1 1 320.447 2.579 20 0 DFADMM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C[C@@H]1F ZINC000824962207 609319163 /nfs/dbraw/zinc/31/91/63/609319163.db2.gz QCPCJWQUOANAGA-PWSUYJOCSA-N -1 1 312.352 2.599 20 0 DFADMM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C[C@@H]1F ZINC000824962207 609319164 /nfs/dbraw/zinc/31/91/64/609319164.db2.gz QCPCJWQUOANAGA-PWSUYJOCSA-N -1 1 312.352 2.599 20 0 DFADMM CCC(CC)[C@H]1C[C@H](Nc2cccc(-c3nnn[n-]3)n2)CCO1 ZINC000825106544 609322442 /nfs/dbraw/zinc/32/24/42/609322442.db2.gz FWKUWQKHMSYDRY-TZMCWYRMSA-N -1 1 316.409 2.657 20 0 DFADMM CCC(CC)[C@H]1C[C@H](Nc2cccc(-c3nn[n-]n3)n2)CCO1 ZINC000825106544 609322444 /nfs/dbraw/zinc/32/24/44/609322444.db2.gz FWKUWQKHMSYDRY-TZMCWYRMSA-N -1 1 316.409 2.657 20 0 DFADMM CCOc1cc(C(=O)N[C@@H]2CCOC[C@@H]2C)cc(Cl)c1[O-] ZINC000278360622 214115705 /nfs/dbraw/zinc/11/57/05/214115705.db2.gz BJAZHBYUGJBMIO-JOYOIKCWSA-N -1 1 313.781 2.599 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCCC(C)(C)CC1 ZINC000081836931 192331061 /nfs/dbraw/zinc/33/10/61/192331061.db2.gz VADINHPGVFMHTD-UHFFFAOYSA-N -1 1 309.435 2.865 20 0 DFADMM COC(=O)c1c[n-]c(SCc2ccc(C(F)(F)F)cn2)n1 ZINC000278548448 214230083 /nfs/dbraw/zinc/23/00/83/214230083.db2.gz BEHPXAWLJWXALY-UHFFFAOYSA-N -1 1 317.292 2.902 20 0 DFADMM COC(=O)C[C@@H](C)SCc1cc(=O)oc2cc([O-])ccc12 ZINC000078814805 185114101 /nfs/dbraw/zinc/11/41/01/185114101.db2.gz AXHLAGKWNKZKFY-SECBINFHSA-N -1 1 308.355 2.683 20 0 DFADMM COC(=O)[C@H](C)CSCc1cc(=O)oc2cc([O-])ccc12 ZINC000078825009 185115909 /nfs/dbraw/zinc/11/59/09/185115909.db2.gz BXOXOFHDIWVYIH-SECBINFHSA-N -1 1 308.355 2.541 20 0 DFADMM COC(=O)c1c[n-]c(SCC(=O)C2CCC(F)(F)CC2)n1 ZINC000278646232 214299602 /nfs/dbraw/zinc/29/96/02/214299602.db2.gz LYZMUBJAABIOHB-UHFFFAOYSA-N -1 1 318.345 2.683 20 0 DFADMM CCOCc1nnc([N-]Cc2ncc(C(F)(F)F)s2)o1 ZINC000278655309 214304550 /nfs/dbraw/zinc/30/45/50/214304550.db2.gz GZOXVDFXKXRNMR-UHFFFAOYSA-N -1 1 308.285 2.694 20 0 DFADMM COC(=O)c1c[n-]c(SCC(=O)c2cc(C)sc2C)n1 ZINC000278673308 214316852 /nfs/dbraw/zinc/31/68/52/214316852.db2.gz OIDVXELDDOOABU-UHFFFAOYSA-N -1 1 310.400 2.850 20 0 DFADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccsc2)c(Cl)c1 ZINC000311351737 231118807 /nfs/dbraw/zinc/11/88/07/231118807.db2.gz OAVZLKYQNJFPCZ-UHFFFAOYSA-N -1 1 317.775 2.901 20 0 DFADMM CC(=O)OCCCSCc1cc(=O)oc2cc([O-])ccc12 ZINC000278759583 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CC(C)CO[C@H](C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629374713 399584725 /nfs/dbraw/zinc/58/47/25/399584725.db2.gz VAGGFBGEFSTQBZ-GFCCVEGCSA-N -1 1 303.362 2.578 20 0 DFADMM CC[C@@H](C(=O)[O-])N1CCc2cc(F)cc(Br)c2C1 ZINC000629375493 399584845 /nfs/dbraw/zinc/58/48/45/399584845.db2.gz GTHZIEKEDZWHLZ-LBPRGKRZSA-N -1 1 316.170 2.810 20 0 DFADMM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2cccc(F)c2F)sn1 ZINC000632165152 399590471 /nfs/dbraw/zinc/59/04/71/399590471.db2.gz XISNBRHTZSRHOZ-QMMMGPOBSA-N -1 1 318.370 2.769 20 0 DFADMM CC(C)c1nncn1CCNC(=O)c1cc2ccccc2cc1[O-] ZINC000156188913 197093684 /nfs/dbraw/zinc/09/36/84/197093684.db2.gz XKFYVCSDDRBMKY-UHFFFAOYSA-N -1 1 324.384 2.690 20 0 DFADMM CCC[C@@H](NC(=O)C(C)=Cc1ccccc1Cl)c1nn[n-]n1 ZINC000155474281 197058085 /nfs/dbraw/zinc/05/80/85/197058085.db2.gz MNGIBCDAORGRQS-WTNCMQEWSA-N -1 1 319.796 2.914 20 0 DFADMM C[C@H]1CN(C(=O)c2ccc([O-])c(F)c2)C[C@H](CC(F)(F)F)O1 ZINC000620807487 399604641 /nfs/dbraw/zinc/60/46/41/399604641.db2.gz YJXDEYOYTFVYBB-WPRPVWTQSA-N -1 1 321.270 2.713 20 0 DFADMM Cc1cc(S(=O)(=O)[N-]Cc2ccc(C(F)F)cc2)sn1 ZINC000632217506 399607493 /nfs/dbraw/zinc/60/74/93/399607493.db2.gz BGPYIYDNHFGIII-UHFFFAOYSA-N -1 1 318.370 2.868 20 0 DFADMM O=c1[n-]c(CN[C@@H](Cc2ccccc2)c2cccs2)n[nH]1 ZINC000347914456 285242231 /nfs/dbraw/zinc/24/22/31/285242231.db2.gz CCLIKDIHSPTMJS-LBPRGKRZSA-N -1 1 300.387 2.645 20 0 DFADMM CC[C@H](C)Cc1noc(CCc2c(C)nc(SC)[n-]c2=O)n1 ZINC000632246479 399616509 /nfs/dbraw/zinc/61/65/09/399616509.db2.gz WGKUBMLTRDFELE-VIFPVBQESA-N -1 1 322.434 2.969 20 0 DFADMM CC(C)(CNC(=O)c1nc2ccccc2c(=O)[n-]1)C1CCCC1 ZINC000120881842 195256448 /nfs/dbraw/zinc/25/64/48/195256448.db2.gz GYNLTIYACJBEMS-UHFFFAOYSA-N -1 1 313.401 2.869 20 0 DFADMM C[C@H]1CN(Cc2cccc(F)c2OC(F)F)CC[C@H]1C(=O)[O-] ZINC000629498019 399622781 /nfs/dbraw/zinc/62/27/81/399622781.db2.gz JISUGUYJLOEABZ-GXSJLCMTSA-N -1 1 317.307 2.970 20 0 DFADMM CCCCNC(=O)[C@H](C)Sc1nc(C(F)F)cc(=O)[n-]1 ZINC000289475536 221001718 /nfs/dbraw/zinc/00/17/18/221001718.db2.gz HTVUZQDBIYQXKA-ZETCQYMHSA-N -1 1 305.350 2.517 20 0 DFADMM C[C@H]1CN(Cc2cc(F)ccc2OC(F)F)CC[C@@H]1C(=O)[O-] ZINC000629501334 399624937 /nfs/dbraw/zinc/62/49/37/399624937.db2.gz SFZXDGBAFUJCGF-CABZTGNLSA-N -1 1 317.307 2.970 20 0 DFADMM Cc1ccc(NC(=O)[C@H](C)N2CC[C@H](C(=O)[O-])[C@H](C)C2)c(F)c1 ZINC000629501666 399625062 /nfs/dbraw/zinc/62/50/62/399625062.db2.gz NVRICXROQFDHAZ-AGIUHOORSA-N -1 1 322.380 2.504 20 0 DFADMM O=c1cc(C(F)F)nc(SCCO[C@@H]2CCCCO2)[n-]1 ZINC000289663704 221139267 /nfs/dbraw/zinc/13/92/67/221139267.db2.gz YEILAHGXDQZFIC-SNVBAGLBSA-N -1 1 306.334 2.755 20 0 DFADMM Cc1nc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2)sc1C ZINC000348037473 285310058 /nfs/dbraw/zinc/31/00/58/285310058.db2.gz RBXAVWMQFPBNGM-UHFFFAOYSA-N -1 1 316.835 2.892 20 0 DFADMM O=C([N-]O[C@H]1CCCCO1)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000289738080 221192090 /nfs/dbraw/zinc/19/20/90/221192090.db2.gz ISSPLQRTVPNLAM-DOMZBBRYSA-N -1 1 324.808 2.741 20 0 DFADMM O=C(CCCOc1ccccc1)Nc1nc(-c2ccco2)n[nH]1 ZINC000078868617 542484970 /nfs/dbraw/zinc/48/49/70/542484970.db2.gz YSCXYMHYORNXCS-UHFFFAOYSA-N -1 1 312.329 2.862 20 0 DFADMM C[C@@H]1C[C@@H](CCNC(=O)Cc2ccc([O-])c(Cl)c2)CCO1 ZINC000632419129 399659260 /nfs/dbraw/zinc/65/92/60/399659260.db2.gz XTQUYKXPDPGXJJ-NEPJUHHUSA-N -1 1 311.809 2.910 20 0 DFADMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000632482886 399674167 /nfs/dbraw/zinc/67/41/67/399674167.db2.gz MIVHZRALALDDNX-WFASDCNBSA-N -1 1 309.793 2.662 20 0 DFADMM CSc1nc(C)c(CCC(=O)N(C)C[C@@H]2CC2(C)C)c(=O)[n-]1 ZINC000621054807 399666490 /nfs/dbraw/zinc/66/64/90/399666490.db2.gz RNGXVNVIDRGULW-NSHDSACASA-N -1 1 323.462 2.650 20 0 DFADMM O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1ncc2ccccc2c1[O-] ZINC000612408564 399645573 /nfs/dbraw/zinc/64/55/73/399645573.db2.gz BBEFOCYOEFHCGO-ZNMIVQPWSA-N -1 1 312.369 2.628 20 0 DFADMM C[C@]1(CNC(=O)Cc2ccc([O-])c(Cl)c2)CCO[C@@H]1C1CC1 ZINC000632505893 399678917 /nfs/dbraw/zinc/67/89/17/399678917.db2.gz MQYHWSVVBONXQA-IAGOWNOFSA-N -1 1 323.820 2.910 20 0 DFADMM CC[C@@H](COCC1CC1)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632546652 399688188 /nfs/dbraw/zinc/68/81/88/399688188.db2.gz SHXNLQPZRUYVQX-JTQLQIEISA-N -1 1 323.361 2.701 20 0 DFADMM O=C([O-])c1coc(CN2CC[C@H](Oc3cccc(F)c3)C2)c1 ZINC000625965103 399702453 /nfs/dbraw/zinc/70/24/53/399702453.db2.gz JDBSWOJILGBLSZ-AWEZNQCLSA-N -1 1 305.305 2.770 20 0 DFADMM COc1cc2c(cc1F)nccc2N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000629768159 399719651 /nfs/dbraw/zinc/71/96/51/399719651.db2.gz GPDMVTOGQJNHFA-GHMZBOCLSA-N -1 1 318.348 2.930 20 0 DFADMM CCCn1c2ccccc2nc1CN1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000629772465 399722092 /nfs/dbraw/zinc/72/20/92/399722092.db2.gz PXLGXZAYEHHZLX-UONOGXRCSA-N -1 1 315.417 2.989 20 0 DFADMM O=C([C@H]1CC[C@H](C2CCC2)CC1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000612816086 399730023 /nfs/dbraw/zinc/73/00/23/399730023.db2.gz KFDFFOSMWWEKIK-RBSFLKMASA-N -1 1 317.437 2.512 20 0 DFADMM COC(=O)CCCCNC(=O)c1cc2ccccc2cc1[O-] ZINC000299353578 533375610 /nfs/dbraw/zinc/37/56/10/533375610.db2.gz WQZMCVRHGQSDGO-UHFFFAOYSA-N -1 1 301.342 2.619 20 0 DFADMM COCCCCS(=O)(=O)[N-][C@@H](C(F)F)C1CCCCC1 ZINC000621323172 399753827 /nfs/dbraw/zinc/75/38/27/399753827.db2.gz VBWHXNJAMGYCLW-GFCCVEGCSA-N -1 1 313.410 2.546 20 0 DFADMM CCc1ccnc(CNC(=O)Cc2ccc([O-])c(Cl)c2)c1 ZINC000632844569 399759505 /nfs/dbraw/zinc/75/95/05/399759505.db2.gz OPNGNMDRWUGTID-UHFFFAOYSA-N -1 1 304.777 2.862 20 0 DFADMM O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ncc2ccccc2c1[O-] ZINC000612947923 399758214 /nfs/dbraw/zinc/75/82/14/399758214.db2.gz QUZZIXJFVJSYDH-XYPHTWIQSA-N -1 1 324.380 2.628 20 0 DFADMM COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)c(O)c1 ZINC000129514020 542624937 /nfs/dbraw/zinc/62/49/37/542624937.db2.gz FJKQWBOXWQPFSM-UHFFFAOYSA-N -1 1 311.334 2.649 20 0 DFADMM COc1cc(C(=O)NCc2csc(C)n2)cc(Cl)c1[O-] ZINC000134961846 542651327 /nfs/dbraw/zinc/65/13/27/542651327.db2.gz CMVHPKICAURFPA-UHFFFAOYSA-N -1 1 312.778 2.749 20 0 DFADMM Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000151286244 542666122 /nfs/dbraw/zinc/66/61/22/542666122.db2.gz PITUMVZDBKCYGB-VHSXEESVSA-N -1 1 310.279 2.874 20 0 DFADMM CCC1(NC(=O)c2ncc3ccccc3c2[O-])CCOCC1 ZINC000613113095 399795471 /nfs/dbraw/zinc/79/54/71/399795471.db2.gz PXDHAHBZZYJOLP-UHFFFAOYSA-N -1 1 300.358 2.629 20 0 DFADMM O=C(CCc1cccc2c1OCO2)Nc1c([O-])cccc1F ZINC000681195967 545609011 /nfs/dbraw/zinc/60/90/11/545609011.db2.gz JRIDGBCHDKXBEI-UHFFFAOYSA-N -1 1 303.289 2.831 20 0 DFADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000681200435 545609389 /nfs/dbraw/zinc/60/93/89/545609389.db2.gz GYCUMHKNSZLFKQ-SFHVURJKSA-N -1 1 313.328 2.803 20 0 DFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)c1cscn1 ZINC000617825476 399809255 /nfs/dbraw/zinc/80/92/55/399809255.db2.gz OGAAZFBSZYTLSY-MRVPVSSYSA-N -1 1 320.418 2.736 20 0 DFADMM COC(=O)c1ccsc1NC(=O)c1ccc(OC)cc1[O-] ZINC000603965196 399820487 /nfs/dbraw/zinc/82/04/87/399820487.db2.gz PLMLJRILTBFFSX-UHFFFAOYSA-N -1 1 307.327 2.501 20 0 DFADMM O=C(Cc1ccc([O-])c(Cl)c1)N1NC(=O)CC12CCCCC2 ZINC000633060868 399836137 /nfs/dbraw/zinc/83/61/37/399836137.db2.gz CSVCKLHRWPTGFO-UHFFFAOYSA-N -1 1 322.792 2.555 20 0 DFADMM O=C(NCCc1ccc(CO)cc1)c1cc(Cl)ccc1[O-] ZINC000305799518 543062655 /nfs/dbraw/zinc/06/26/55/543062655.db2.gz WUOVFSRNYADVSD-UHFFFAOYSA-N -1 1 305.761 2.510 20 0 DFADMM Cc1c(Cl)cccc1NC(=O)CN1CCC[C@@H](CC(=O)[O-])C1 ZINC000315721869 543072342 /nfs/dbraw/zinc/07/23/42/543072342.db2.gz DYTFISGVDHKSIN-LBPRGKRZSA-N -1 1 324.808 2.774 20 0 DFADMM C[C@@H]1CCC[C@@H](NC(=O)CN2CCC(CCC(=O)[O-])CC2)[C@H]1C ZINC000320439411 543082274 /nfs/dbraw/zinc/08/22/74/543082274.db2.gz WDCQQMWIQYXTTL-IJEWVQPXSA-N -1 1 324.465 2.504 20 0 DFADMM O=C([O-])C[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccc(F)cc2)no1 ZINC000320940063 543083622 /nfs/dbraw/zinc/08/36/22/543083622.db2.gz GWGBHPOBRXIKHB-ZDUSSCGKSA-N -1 1 319.336 2.705 20 0 DFADMM O=C([O-])C[C@@H]1CCCCN1Cc1nc(-c2ccc(F)cc2)no1 ZINC000320940063 543083627 /nfs/dbraw/zinc/08/36/27/543083627.db2.gz GWGBHPOBRXIKHB-ZDUSSCGKSA-N -1 1 319.336 2.705 20 0 DFADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2nc(-c3ccco3)no2)C1 ZINC000322223098 543088462 /nfs/dbraw/zinc/08/84/62/543088462.db2.gz YUECCIYFYQWHTD-LLVKDONJSA-N -1 1 319.361 2.652 20 0 DFADMM COc1cc(C(=O)N2CC[C@H](C)[C@@H](F)C2)cc(Cl)c1[O-] ZINC000682363168 545830424 /nfs/dbraw/zinc/83/04/24/545830424.db2.gz ADCVOGPCUQGFML-KWQFWETISA-N -1 1 301.745 2.874 20 0 DFADMM Cc1ccc(-c2noc(CN3CC[C@@H](C(=O)[O-])[C@H](C)C3)n2)cc1 ZINC000324235166 543094035 /nfs/dbraw/zinc/09/40/35/543094035.db2.gz FSMJZMNZAWFKFC-TZMCWYRMSA-N -1 1 315.373 2.588 20 0 DFADMM O=S(=O)([N-]CCc1ccsc1)c1cccc(F)c1F ZINC000337774433 543131980 /nfs/dbraw/zinc/13/19/80/543131980.db2.gz GTNSDNNGCHACAR-UHFFFAOYSA-N -1 1 303.355 2.547 20 0 DFADMM COCC1(C2CCC2)CN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000617981481 399855928 /nfs/dbraw/zinc/85/59/28/399855928.db2.gz UBUPTBWYFWJYTK-UHFFFAOYSA-N -1 1 309.793 2.934 20 0 DFADMM CCCC[C@@H](CC)CC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000630222021 399858962 /nfs/dbraw/zinc/85/89/62/399858962.db2.gz BSQNXYFJKVMLKO-HUUCEWRRSA-N -1 1 312.454 2.600 20 0 DFADMM Cc1cnc(C(=O)N2CCC(=O)C[C@H]2c2ccccc2)c([O-])c1 ZINC000633165857 399861774 /nfs/dbraw/zinc/86/17/74/399861774.db2.gz YXWXJTLDGHEKNT-HNNXBMFYSA-N -1 1 310.353 2.642 20 0 DFADMM O=C(NC[C@@H]1OCCc2ccccc21)c1c([O-])cccc1F ZINC000681231431 545614683 /nfs/dbraw/zinc/61/46/83/545614683.db2.gz UDVOIDAKLUUBAB-HNNXBMFYSA-N -1 1 301.317 2.575 20 0 DFADMM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2c(F)cc(C)cc2F)o1 ZINC000425169362 296556888 /nfs/dbraw/zinc/55/68/88/296556888.db2.gz JWMDFKOZCAGWAX-SECBINFHSA-N -1 1 316.329 2.609 20 0 DFADMM O=C(c1ccc2ccccc2c1[O-])N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398985396 543311288 /nfs/dbraw/zinc/31/12/88/543311288.db2.gz FJIXFTGHXWMTOL-SOUVJXGZSA-N -1 1 311.381 2.778 20 0 DFADMM CCCc1ccc([C@H](NC(=O)CCc2nn[n-]n2)C(C)C)cc1 ZINC000630675377 399915123 /nfs/dbraw/zinc/91/51/23/399915123.db2.gz KIMQZAIURGJIKR-QGZVFWFLSA-N -1 1 315.421 2.598 20 0 DFADMM O=C([O-])[C@@H](NCc1cc(Cl)sc1Cl)[C@H]1CCCO1 ZINC000630471012 399891581 /nfs/dbraw/zinc/89/15/81/399891581.db2.gz YHJWGEKKESGFQN-APPZFPTMSA-N -1 1 310.202 2.777 20 0 DFADMM COc1ccc(/C=C/c2cc(=O)n3[n-]cnc3n2)cc1C(C)(C)C ZINC000630951985 399952112 /nfs/dbraw/zinc/95/21/12/399952112.db2.gz SQRHQNHNUXSOIJ-FNORWQNLSA-N -1 1 324.384 2.894 20 0 DFADMM CCC[C@H](CCO)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000633831406 399952920 /nfs/dbraw/zinc/95/29/20/399952920.db2.gz SODQDFQFASWUBK-SNVBAGLBSA-N -1 1 305.296 2.692 20 0 DFADMM Cc1cnc(CCSc2nc(C)c(C3CC3)c(=O)[n-]2)cn1 ZINC000631023671 399964097 /nfs/dbraw/zinc/96/40/97/399964097.db2.gz DFINJWALDVNOIN-UHFFFAOYSA-N -1 1 302.403 2.801 20 0 DFADMM CCCCNC(=O)[C@@H](C)Sc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631025455 399964695 /nfs/dbraw/zinc/96/46/95/399964695.db2.gz TVNMOSUDBICFDJ-SNVBAGLBSA-N -1 1 309.435 2.765 20 0 DFADMM Cc1nc(SCC(=O)N2CCC(C)CC2)[n-]c(=O)c1C1CC1 ZINC000631028761 399964893 /nfs/dbraw/zinc/96/48/93/399964893.db2.gz NZVAAJDEHJGJLP-UHFFFAOYSA-N -1 1 321.446 2.719 20 0 DFADMM C[C@@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)[C@@H](C)O1 ZINC000634030051 399975486 /nfs/dbraw/zinc/97/54/86/399975486.db2.gz OCSYLUJDQAPMJY-SOCHQFKDSA-N -1 1 303.280 2.707 20 0 DFADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CC[C@]2(CC2(F)F)C1 ZINC000633580690 399920191 /nfs/dbraw/zinc/92/01/91/399920191.db2.gz GAGCMBDJOMQJLW-ZDUSSCGKSA-N -1 1 301.720 2.846 20 0 DFADMM C[C@@H]1C[C@@H](C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)[C@H](C)O1 ZINC000630730009 399921503 /nfs/dbraw/zinc/92/15/03/399921503.db2.gz AAORIZFWOLPNNX-GBIKHYSHSA-N -1 1 301.346 2.534 20 0 DFADMM CC1(C)[C@H](CNC(=O)Cc2ccc([O-])c(Cl)c2)C1(F)F ZINC000633639371 399928563 /nfs/dbraw/zinc/92/85/63/399928563.db2.gz CUGRSTUVWPNBMR-NSHDSACASA-N -1 1 303.736 2.996 20 0 DFADMM CCc1ccc(F)cc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000630803939 399932175 /nfs/dbraw/zinc/93/21/75/399932175.db2.gz XWPXECUJTZDAPU-UHFFFAOYSA-N -1 1 302.231 2.777 20 0 DFADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC(c2ncc[nH]2)CC1 ZINC000630863345 399940924 /nfs/dbraw/zinc/94/09/24/399940924.db2.gz LFZPYXZNSHPZTG-UHFFFAOYSA-N -1 1 319.792 2.717 20 0 DFADMM CSc1cc2c(cc1[N-]C(=O)c1nocc1C)OCCO2 ZINC000630885121 399943317 /nfs/dbraw/zinc/94/33/17/399943317.db2.gz PIGOUZFZQZHLOX-UHFFFAOYSA-N -1 1 306.343 2.728 20 0 DFADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC(c2cc[nH]n2)CC1 ZINC000631404025 400034288 /nfs/dbraw/zinc/03/42/88/400034288.db2.gz LZJCKBZWWJQYRX-UHFFFAOYSA-N -1 1 319.792 2.717 20 0 DFADMM Cc1cccc(CN(C)C(=O)Cc2ccc([O-])c(Cl)c2)n1 ZINC000631446898 400038791 /nfs/dbraw/zinc/03/87/91/400038791.db2.gz FNBIMPGQMXDEGY-UHFFFAOYSA-N -1 1 304.777 2.950 20 0 DFADMM Cc1nc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)[nH]c1C ZINC000628127400 399988614 /nfs/dbraw/zinc/98/86/14/399988614.db2.gz HSGCJTHPSBTRSU-UHFFFAOYSA-N -1 1 313.401 2.827 20 0 DFADMM Cn1nc2c(c1CNc1ccc(-n3ccc(=O)[n-]3)cc1)CCCC2 ZINC000631182859 399997989 /nfs/dbraw/zinc/99/79/89/399997989.db2.gz DQTBFWVDGGTIFX-UHFFFAOYSA-N -1 1 323.400 2.802 20 0 DFADMM CC(C)CC[C@@](C)(O)CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000631565176 400051856 /nfs/dbraw/zinc/05/18/56/400051856.db2.gz DKLMTAHQCBHGPL-MRXNPFEDSA-N -1 1 313.825 2.892 20 0 DFADMM O=C(N[C@@H](CCc1ccccc1)C(F)F)c1cncc([O-])c1 ZINC000628765615 400054985 /nfs/dbraw/zinc/05/49/85/400054985.db2.gz YQVNGQVEHISERW-AWEZNQCLSA-N -1 1 306.312 2.784 20 0 DFADMM CC[C@H](NC(=O)Cc1ccc([O-])c(Cl)c1)C1CCOCC1 ZINC000631589331 400055568 /nfs/dbraw/zinc/05/55/68/400055568.db2.gz FSDBNMDGQNZSNS-AWEZNQCLSA-N -1 1 311.809 2.910 20 0 DFADMM CC[C@@H](NC(=O)Cc1ccc([O-])c(Cl)c1)C1CCOCC1 ZINC000631589332 400055693 /nfs/dbraw/zinc/05/56/93/400055693.db2.gz FSDBNMDGQNZSNS-CQSZACIVSA-N -1 1 311.809 2.910 20 0 DFADMM C[C@@]1(CNC(=O)Cc2ccc([O-])c(Cl)c2)CCCC[C@H]1O ZINC000631619756 400058605 /nfs/dbraw/zinc/05/86/05/400058605.db2.gz YGDYFNLPCZFLRT-ZBFHGGJFSA-N -1 1 311.809 2.646 20 0 DFADMM O=C(CCC1CCCC1)NCC(=O)Nc1cccc(F)c1[O-] ZINC000628960690 400066040 /nfs/dbraw/zinc/06/60/40/400066040.db2.gz QYJLCUDCBFFBKN-UHFFFAOYSA-N -1 1 308.353 2.556 20 0 DFADMM Cc1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CC2)sn1 ZINC000631689220 400066376 /nfs/dbraw/zinc/06/63/76/400066376.db2.gz BSTTZHPHFDUHPF-CQSZACIVSA-N -1 1 308.428 2.881 20 0 DFADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCO[C@H](c2ccco2)C1 ZINC000631709061 400069177 /nfs/dbraw/zinc/06/91/77/400069177.db2.gz GSFTUQVSIULTBT-HNNXBMFYSA-N -1 1 321.760 2.781 20 0 DFADMM Cc1cc(S(=O)(=O)[N-]Cc2ccc([C@H]3C[C@@H]3C)o2)sn1 ZINC000631772777 400073830 /nfs/dbraw/zinc/07/38/30/400073830.db2.gz OKZNIVNZDPVTNI-KWQFWETISA-N -1 1 312.416 2.646 20 0 DFADMM CC(C)C[C@@H](CCO)CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000631801184 400076391 /nfs/dbraw/zinc/07/63/91/400076391.db2.gz YQFNSXJUXSXTSH-CYBMUJFWSA-N -1 1 313.825 2.749 20 0 DFADMM CC(C)CCOCC[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000631811903 400077203 /nfs/dbraw/zinc/07/72/03/400077203.db2.gz UGPBEQDMALCJGH-UHFFFAOYSA-N -1 1 311.350 2.558 20 0 DFADMM O=c1[n-]c(-c2cnn(-c3ccccc3)c2)nc2ccc(O)cc12 ZINC000436926467 543351476 /nfs/dbraw/zinc/35/14/76/543351476.db2.gz LRSPFGZGHUXTAW-UHFFFAOYSA-N -1 1 304.309 2.894 20 0 DFADMM O=C([O-])C[C@H](NC(=O)c1n[nH]c2ccccc21)c1ccccc1 ZINC000237995110 146057596 /nfs/dbraw/zinc/05/75/96/146057596.db2.gz JITQMGASPSPEKO-AWEZNQCLSA-N -1 1 309.325 2.509 20 0 DFADMM CCCCc1nc2ccc(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])cc2[nH]1 ZINC000262603894 146376302 /nfs/dbraw/zinc/37/63/02/146376302.db2.gz KFDRMERYWQNCAG-GHMZBOCLSA-N -1 1 301.346 2.565 20 0 DFADMM Cc1ccc(-c2noc([C@H](C)N(C)CCC(=O)[O-])n2)cc1F ZINC000262614919 146377378 /nfs/dbraw/zinc/37/73/78/146377378.db2.gz CPWDBVKFAXDNAV-JTQLQIEISA-N -1 1 307.325 2.652 20 0 DFADMM COc1ccccc1-c1nc(CN2CC[C@@H](C(=O)[O-])C2)cs1 ZINC000262669087 146380919 /nfs/dbraw/zinc/38/09/19/146380919.db2.gz QVBBRPJPWDUJIZ-LLVKDONJSA-N -1 1 318.398 2.725 20 0 DFADMM COCCOc1ccc(-c2nc3cccnc3c(=O)[n-]2)cc1F ZINC000491849965 543408342 /nfs/dbraw/zinc/40/83/42/543408342.db2.gz LLRSGRNJHLWRQZ-UHFFFAOYSA-N -1 1 315.304 2.562 20 0 DFADMM C[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000355518239 147346304 /nfs/dbraw/zinc/34/63/04/147346304.db2.gz VANDRUPKIALUIH-DTWKUNHWSA-N -1 1 307.337 2.818 20 0 DFADMM Cc1nc(C)c(CCNC(=O)c2c(F)ccc([O-])c2F)s1 ZINC000355563248 147364232 /nfs/dbraw/zinc/36/42/32/147364232.db2.gz DZIRNRFXUGGKCF-UHFFFAOYSA-N -1 1 312.341 2.716 20 0 DFADMM C[C@H]1COc2ccccc2CN1C(=O)c1ccc([O-])c(F)c1 ZINC000681066987 545592155 /nfs/dbraw/zinc/59/21/55/545592155.db2.gz BWUNFFYTMJPSRL-NSHDSACASA-N -1 1 301.317 2.955 20 0 DFADMM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)C(F)(F)F ZINC000356683082 147771226 /nfs/dbraw/zinc/77/12/26/147771226.db2.gz AJZJLVCGWCJNJZ-RXMQYKEDSA-N -1 1 307.746 2.878 20 0 DFADMM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccoc2)c1 ZINC000350145638 286010630 /nfs/dbraw/zinc/01/06/30/286010630.db2.gz XORMNXJXGRMFEB-UHFFFAOYSA-N -1 1 315.734 2.520 20 0 DFADMM Cc1ccc(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)cc1O ZINC000357671301 148078056 /nfs/dbraw/zinc/07/80/56/148078056.db2.gz HNPBZAMVTRRDQB-UHFFFAOYSA-N -1 1 321.336 2.907 20 0 DFADMM C[C@H](CCC(C)(C)C)NC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000358363327 148342685 /nfs/dbraw/zinc/34/26/85/148342685.db2.gz DWWIIBHPWIBOMI-SNVBAGLBSA-N -1 1 304.394 2.619 20 0 DFADMM COc1ccc([C@@H](Cc2ccccc2)NC(=O)c2cnn[nH]2)cc1 ZINC000358413249 148351993 /nfs/dbraw/zinc/35/19/93/148351993.db2.gz NQYHNNIBIPDMCP-MRXNPFEDSA-N -1 1 322.368 2.527 20 0 DFADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc2c1CCO2 ZINC000358488004 148376986 /nfs/dbraw/zinc/37/69/86/148376986.db2.gz AXQPRIZEAALIPT-UHFFFAOYSA-N -1 1 307.346 2.870 20 0 DFADMM O=C([O-])Cc1ccccc1CNCc1ccc(Br)o1 ZINC000350620098 286063369 /nfs/dbraw/zinc/06/33/69/286063369.db2.gz UDADBPREMALGBN-UHFFFAOYSA-N -1 1 324.174 2.959 20 0 DFADMM Cc1nnc([C@@H]2CCCCN2C(=O)c2cc(Cl)ccc2[O-])[nH]1 ZINC000361108496 149029982 /nfs/dbraw/zinc/02/99/82/149029982.db2.gz YOJOPCDHCTVEJF-LBPRGKRZSA-N -1 1 320.780 2.840 20 0 DFADMM O=C(N[C@H]1CC[C@H](c2ccccc2F)C1)c1ncccc1[O-] ZINC000361351794 149095417 /nfs/dbraw/zinc/09/54/17/149095417.db2.gz MNTRIQRDQHNEMW-RYUDHWBXSA-N -1 1 300.333 2.992 20 0 DFADMM Cc1ccc2c([O-])c(C(=O)NC[C@@H](C)C(F)(F)F)cnc2n1 ZINC000361772307 149216036 /nfs/dbraw/zinc/21/60/36/149216036.db2.gz MNYWMKLIGJITRI-SSDOTTSWSA-N -1 1 313.279 2.572 20 0 DFADMM Cc1ccc2c(n1)[n-]cc(C(=O)NC[C@@H](C)C(F)(F)F)c2=O ZINC000361772307 149216040 /nfs/dbraw/zinc/21/60/40/149216040.db2.gz MNYWMKLIGJITRI-SSDOTTSWSA-N -1 1 313.279 2.572 20 0 DFADMM CSc1ccc([O-])c(C(=O)Nc2c3c(nn2C)CCC3)c1 ZINC000667115435 543548289 /nfs/dbraw/zinc/54/82/89/543548289.db2.gz CIXVSOXGFSSGBI-UHFFFAOYSA-N -1 1 303.387 2.589 20 0 DFADMM COc1ccc([N-]S(=O)(=O)c2cc(OC)cc(OC)c2)cc1 ZINC000362869862 149386086 /nfs/dbraw/zinc/38/60/86/149386086.db2.gz YCIBQXYQERQEGV-UHFFFAOYSA-N -1 1 323.370 2.513 20 0 DFADMM O=S(=O)([N-][C@@H](c1cc(F)ccc1F)C(F)F)c1ccoc1 ZINC000351306021 286121183 /nfs/dbraw/zinc/12/11/83/286121183.db2.gz RAKMFNIMCCJYCN-NSHDSACASA-N -1 1 323.267 2.843 20 0 DFADMM CCc1nc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c(C)o1 ZINC000351352546 286123141 /nfs/dbraw/zinc/12/31/41/286123141.db2.gz MTCQAMLQSHGWOL-UHFFFAOYSA-N -1 1 312.329 2.893 20 0 DFADMM Cc1nc(C(=O)Nc2cc(C)cc(Br)c2[O-])c[nH]1 ZINC000351573865 286157624 /nfs/dbraw/zinc/15/76/24/286157624.db2.gz KCWAVKMLUKGLRS-UHFFFAOYSA-N -1 1 310.151 2.747 20 0 DFADMM O=S(=O)([N-]C12CCC(CC1)C2)c1ccc(F)c(F)c1F ZINC000371751609 150091341 /nfs/dbraw/zinc/09/13/41/150091341.db2.gz ACIDMQDZIQHLPZ-UHFFFAOYSA-N -1 1 305.321 2.715 20 0 DFADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC12CCOCC2 ZINC000373121002 150234548 /nfs/dbraw/zinc/23/45/48/150234548.db2.gz JRLRTRHLAYGAAJ-UHFFFAOYSA-N -1 1 315.291 2.806 20 0 DFADMM C[C@@H]1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC12CCC2 ZINC000374281282 150335611 /nfs/dbraw/zinc/33/56/11/150335611.db2.gz AEFMSRFTZPLMKM-GFCCVEGCSA-N -1 1 311.385 2.575 20 0 DFADMM CN(CC(=O)NCc1ccccc1)Cc1cccc([O-])c1Cl ZINC000351641692 286179108 /nfs/dbraw/zinc/17/91/08/286179108.db2.gz OEYKUICHSJFTRZ-UHFFFAOYSA-N -1 1 318.804 2.794 20 0 DFADMM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2csc3ccccc32)n1 ZINC000351664503 286186533 /nfs/dbraw/zinc/18/65/33/286186533.db2.gz LEPLDQMICMNTBK-MRVPVSSYSA-N -1 1 323.399 2.632 20 0 DFADMM O=C(N[C@@H]1CCCOc2c(F)cccc21)c1ncccc1[O-] ZINC000351849419 286232318 /nfs/dbraw/zinc/23/23/18/286232318.db2.gz PVBOGAAONMYTMU-GFCCVEGCSA-N -1 1 302.305 2.570 20 0 DFADMM Oc1cc(F)cc(C[NH+]2CCC(Oc3ccccn3)CC2)c1 ZINC000351989756 286263098 /nfs/dbraw/zinc/26/30/98/286263098.db2.gz VZDWHGZXVGMEJW-UHFFFAOYSA-N -1 1 302.349 2.970 20 0 DFADMM O=C(Nc1ccc(F)cc1[O-])c1cnc(C(F)(F)F)nc1 ZINC000427658300 296663714 /nfs/dbraw/zinc/66/37/14/296663714.db2.gz XDLAJETYJUDPHD-UHFFFAOYSA-N -1 1 301.199 2.592 20 0 DFADMM O=C(N[C@H](Cc1ccccn1)c1ccccc1)c1ncccc1[O-] ZINC000427838998 296669806 /nfs/dbraw/zinc/66/98/06/296669806.db2.gz TWWKMVCIASVGMG-MRXNPFEDSA-N -1 1 319.364 2.896 20 0 DFADMM CCOC(=O)c1c[n-]c(NC(=O)c2cc(Cl)ccc2C)n1 ZINC000352159378 286308355 /nfs/dbraw/zinc/30/83/55/286308355.db2.gz WCNGACDKUFPANE-UHFFFAOYSA-N -1 1 307.737 2.801 20 0 DFADMM CCOC(=O)c1cnc(NC(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)[n-]1 ZINC000352159555 286308373 /nfs/dbraw/zinc/30/83/73/286308373.db2.gz YWZIAVRGVSXSML-WDEREUQCSA-N -1 1 307.394 2.987 20 0 DFADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)n1 ZINC000352159555 286308374 /nfs/dbraw/zinc/30/83/74/286308374.db2.gz YWZIAVRGVSXSML-WDEREUQCSA-N -1 1 307.394 2.987 20 0 DFADMM C[C@@H]1CSC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000352329820 286345022 /nfs/dbraw/zinc/34/50/22/286345022.db2.gz LXYPOOGCWNBUQN-XCBNKYQSSA-N -1 1 309.815 2.509 20 0 DFADMM C[C@H]1CSC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000352329819 286345108 /nfs/dbraw/zinc/34/51/08/286345108.db2.gz LXYPOOGCWNBUQN-OIBJUYFYSA-N -1 1 309.815 2.509 20 0 DFADMM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cncc([O-])c1)[C@H]2C ZINC000332525947 286401173 /nfs/dbraw/zinc/40/11/73/286401173.db2.gz SCHDSUPZIBPBRR-NEPJUHHUSA-N -1 1 312.369 2.944 20 0 DFADMM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000352940245 286508311 /nfs/dbraw/zinc/50/83/11/286508311.db2.gz LUNCFVHYFBLKPQ-SFYZADRCSA-N -1 1 310.213 2.755 20 0 DFADMM CCO[C@@H]1C[C@H]1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182907081 158010033 /nfs/dbraw/zinc/01/00/33/158010033.db2.gz QQTNYJMFXJDIQL-LDYMZIIASA-N -1 1 314.179 2.827 20 0 DFADMM CCO[C@H]1C[C@H]1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182907098 158010252 /nfs/dbraw/zinc/01/02/52/158010252.db2.gz QQTNYJMFXJDIQL-KCJUWKMLSA-N -1 1 314.179 2.827 20 0 DFADMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000357028506 158351730 /nfs/dbraw/zinc/35/17/30/158351730.db2.gz PLNTULCLHLWIHP-UHFFFAOYSA-N -1 1 319.382 2.511 20 0 DFADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000129578957 196058654 /nfs/dbraw/zinc/05/86/54/196058654.db2.gz YOBATIXQRBMOEQ-LLVKDONJSA-N -1 1 322.792 2.633 20 0 DFADMM CC(C)(C)OC(=O)[C@@H]1CCCCN1C(=O)c1cc(F)ccc1[O-] ZINC000132073022 196223849 /nfs/dbraw/zinc/22/38/49/196223849.db2.gz LQFZFIPIKXHLOF-ZDUSSCGKSA-N -1 1 323.364 2.868 20 0 DFADMM C[C@H]1CN(C(=O)c2ccc(Br)cc2[O-])CCS1 ZINC000134348270 196380623 /nfs/dbraw/zinc/38/06/23/196380623.db2.gz RLZDGHVMOMGKOH-QMMMGPOBSA-N -1 1 316.220 2.732 20 0 DFADMM O=C(c1cc(F)ccc1[O-])N1CCO[C@H](c2cccs2)C1 ZINC000134351636 196381253 /nfs/dbraw/zinc/38/12/53/196381253.db2.gz FBYMCTZOFWQWIH-ZDUSSCGKSA-N -1 1 307.346 2.807 20 0 DFADMM COCC[C@H](Cc1ccco1)NC(=O)c1ccc([O-])c(F)c1 ZINC000681069746 545592576 /nfs/dbraw/zinc/59/25/76/545592576.db2.gz JYQVEMDIDRZTST-GFCCVEGCSA-N -1 1 307.321 2.502 20 0 DFADMM COc1cc(F)c(S(=O)(=O)[N-][C@]2(C)CC=CCC2)c(F)c1 ZINC000668283937 543784776 /nfs/dbraw/zinc/78/47/76/543784776.db2.gz OKYBOZIESLOSKJ-CQSZACIVSA-N -1 1 317.357 2.751 20 0 DFADMM Cc1cccc(Cl)c1CS(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000295839389 225299170 /nfs/dbraw/zinc/29/91/70/225299170.db2.gz HVKUXSXBWASZMV-UHFFFAOYSA-N -1 1 311.794 2.618 20 0 DFADMM Cn1cc([C@H]2CCCN2C(=O)c2ncc3ccccc3c2[O-])cn1 ZINC000668207346 543766878 /nfs/dbraw/zinc/76/68/78/543766878.db2.gz HTDSAKQGXRUSBZ-OAHLLOKOSA-N -1 1 322.368 2.651 20 0 DFADMM Cc1nc([C@@H]2CCCN2C(=O)c2ncc3ccccc3c2[O-])no1 ZINC000669296672 543931145 /nfs/dbraw/zinc/93/11/45/543931145.db2.gz WFJKWCLRQLIBMU-ZDUSSCGKSA-N -1 1 324.340 2.609 20 0 DFADMM Cc1nc(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)co1 ZINC000669958541 544012432 /nfs/dbraw/zinc/01/24/32/544012432.db2.gz ZTZVBQYSXFQJEU-PLNGDYQASA-N -1 1 302.315 2.850 20 0 DFADMM Cc1cc(C)c(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c(C)c1 ZINC000670383338 544035702 /nfs/dbraw/zinc/03/57/02/544035702.db2.gz FCPXGKLERYMVHT-CYBMUJFWSA-N -1 1 315.373 2.720 20 0 DFADMM O=C([O-])C[C@@H](NCc1nc2c(s1)CCC2)c1cccs1 ZINC000671162409 544057677 /nfs/dbraw/zinc/05/76/77/544057677.db2.gz ASRSANSLBIIGIF-SNVBAGLBSA-N -1 1 308.428 2.999 20 0 DFADMM COc1cc(C)nc(CN[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000671162427 544057916 /nfs/dbraw/zinc/05/79/16/544057916.db2.gz BYYPIVCKVWMHSX-ZDUSSCGKSA-N -1 1 306.387 2.766 20 0 DFADMM CO[C@H]1COCC[C@@H]1Cc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000296869391 226582213 /nfs/dbraw/zinc/58/22/13/226582213.db2.gz NVIIXKOPTACJRR-RNCFNFMXSA-N -1 1 324.764 2.690 20 0 DFADMM CCN(Cc1ccccc1)S(=O)(=O)[N-][C@@H]1CCCC1(F)F ZINC000672431348 544137663 /nfs/dbraw/zinc/13/76/63/544137663.db2.gz XVMPSUYGTHVIEH-CYBMUJFWSA-N -1 1 318.389 2.531 20 0 DFADMM Cc1cccc(CS(=O)(=O)[N-]C2(C(F)F)CCCC2)c1 ZINC000673587005 544185425 /nfs/dbraw/zinc/18/54/25/544185425.db2.gz RHQVRGHLYCLUKN-UHFFFAOYSA-N -1 1 303.374 2.992 20 0 DFADMM COC(=O)c1sc([N-]c2cc(C3CC3)n(C)n2)nc1Cl ZINC000290941844 222016406 /nfs/dbraw/zinc/01/64/06/222016406.db2.gz BVKZSPNTAIRPQD-UHFFFAOYSA-N -1 1 312.782 2.938 20 0 DFADMM Cc1cnn([C@H]2CCN(C(=O)c3cc(Cl)ccc3[O-])C2)c1 ZINC000291360174 222338928 /nfs/dbraw/zinc/33/89/28/222338928.db2.gz VGDDXPQCACBTFX-LBPRGKRZSA-N -1 1 305.765 2.638 20 0 DFADMM Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1O ZINC000674053820 544216225 /nfs/dbraw/zinc/21/62/25/544216225.db2.gz CIWVNRAVXPZDDH-UHFFFAOYSA-N -1 1 321.354 2.508 20 0 DFADMM O=C(NC[C@H]1OCCc2ccccc21)c1cc(F)ccc1[O-] ZINC000674326619 544231641 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O=C(c1nc2ccccc2c(=O)[n-]1)N(Cc1ccncc1)C1CC1 ZINC000074273112 426044709 /nfs/dbraw/zinc/04/47/09/426044709.db2.gz YGVMHQKPKGXWFR-UHFFFAOYSA-N -1 1 320.352 2.535 20 0 DFADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1Cc2ccccc2C(=O)O1 ZINC000111668469 426055866 /nfs/dbraw/zinc/05/58/66/426055866.db2.gz KLEKGTPSFCVFPJ-CQSZACIVSA-N -1 1 317.728 2.766 20 0 DFADMM O=C(CCCNC(=O)c1ccco1)Nc1ccc([O-])c(Cl)c1 ZINC000111666887 426056499 /nfs/dbraw/zinc/05/64/99/426056499.db2.gz IZCGIHDHXBFLNC-UHFFFAOYSA-N -1 1 322.748 2.787 20 0 DFADMM O=C(Nc1cccc(N2CCCNC2=O)c1)c1ccccc1[O-] ZINC000075181207 426067133 /nfs/dbraw/zinc/06/71/33/426067133.db2.gz UMYGQWKEMILLQT-UHFFFAOYSA-N -1 1 311.341 2.564 20 0 DFADMM O=C(CCNC(=O)c1cc(Cl)ccc1[O-])Nc1ccccc1 ZINC000113100603 426105089 /nfs/dbraw/zinc/10/50/89/426105089.db2.gz YHYUOTKHQJGBQM-UHFFFAOYSA-N -1 1 318.760 2.804 20 0 DFADMM O=C(CCCc1ccc2c(c1)-c1ccccc1C2)Nc1nnn[n-]1 ZINC000076964115 426119745 /nfs/dbraw/zinc/11/97/45/426119745.db2.gz LIUGKFVFSGKQMC-UHFFFAOYSA-N -1 1 319.368 2.732 20 0 DFADMM O=C(CCCc1ccc2c(c1)-c1ccccc1C2)Nc1nn[n-]n1 ZINC000076964115 426119746 /nfs/dbraw/zinc/11/97/46/426119746.db2.gz LIUGKFVFSGKQMC-UHFFFAOYSA-N -1 1 319.368 2.732 20 0 DFADMM O=S(=O)([N-]Cc1ccncc1)c1cc(Cl)sc1Cl ZINC000128614571 426125422 /nfs/dbraw/zinc/12/54/22/426125422.db2.gz HEUGHWZKRRLLEK-UHFFFAOYSA-N -1 1 323.226 2.928 20 0 DFADMM O=S(=O)([N-]c1ncccc1Cl)c1cc(F)cc(F)c1 ZINC000128634624 426127061 /nfs/dbraw/zinc/12/70/61/426127061.db2.gz VWXFEEYBYSLIEN-UHFFFAOYSA-N -1 1 304.705 2.814 20 0 DFADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)nc2C)cc1 ZINC000128760279 426131738 /nfs/dbraw/zinc/13/17/38/426131738.db2.gz BBDVRARMJHYXOQ-UHFFFAOYSA-N -1 1 306.387 2.898 20 0 DFADMM CC(C)(C)[S@](=O)CCNC(=O)c1cc2ccccc2cc1[O-] ZINC000112394413 426076012 /nfs/dbraw/zinc/07/60/12/426076012.db2.gz WSIIDZUBXIQTPA-QFIPXVFZSA-N -1 1 319.426 2.822 20 0 DFADMM Cc1cnccc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000112496448 426080578 /nfs/dbraw/zinc/08/05/78/426080578.db2.gz GYODRFWKXZMWAH-UHFFFAOYSA-N -1 1 300.742 2.983 20 0 DFADMM Cc1cc(C)c2[nH]cc(C(=O)[N-]O[C@@H]3CCCCO3)c(=O)c2c1 ZINC000162895111 426081886 /nfs/dbraw/zinc/08/18/86/426081886.db2.gz XFRHSBYPCHBFRX-CQSZACIVSA-N -1 1 316.357 2.745 20 0 DFADMM CCN(C[C@@H]1CCCO1)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000134983594 426202319 /nfs/dbraw/zinc/20/23/19/426202319.db2.gz ORUUWFJNFJUWSF-NSHDSACASA-N -1 1 313.781 2.695 20 0 DFADMM O=C(NCc1cccnc1)c1c([O-])cnc2ccc(Cl)cc21 ZINC000338339455 268660384 /nfs/dbraw/zinc/66/03/84/268660384.db2.gz RAFPLOOWCDRAOU-UHFFFAOYSA-N -1 1 313.744 2.919 20 0 DFADMM CC(C)[C@H](NC(=O)c1cnn[nH]1)c1cccc(C(F)(F)F)c1 ZINC000171020151 426164627 /nfs/dbraw/zinc/16/46/27/426164627.db2.gz ISHQQNNSTGRUDC-LBPRGKRZSA-N -1 1 312.295 2.951 20 0 DFADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)c1 ZINC000132912427 426170847 /nfs/dbraw/zinc/17/08/47/426170847.db2.gz KMJJCGFCWLMUJX-UHFFFAOYSA-N -1 1 317.366 2.720 20 0 DFADMM Cn1cc([C@@H]2CCN(C(=O)c3ccc4ccccc4c3[O-])C2)cn1 ZINC000116117671 426179697 /nfs/dbraw/zinc/17/96/97/426179697.db2.gz RIGDTAPNEDFTKC-CQSZACIVSA-N -1 1 321.380 2.909 20 0 DFADMM O=C([N-]C1CCN(Cc2ccc(F)c(F)c2)CC1)C(F)(F)F ZINC000171263313 426180404 /nfs/dbraw/zinc/18/04/04/426180404.db2.gz IGTZBNRJDXDRDM-UHFFFAOYSA-N -1 1 322.277 2.608 20 0 DFADMM COCc1cccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)c1 ZINC000171329721 426184106 /nfs/dbraw/zinc/18/41/06/426184106.db2.gz XIVQOHLTPFPPNA-UHFFFAOYSA-N -1 1 319.382 2.836 20 0 DFADMM Cc1cc(C)c(CS(=O)(=O)c2n[n-]c(C3CC3)n2)c(C)c1 ZINC000171334131 426184569 /nfs/dbraw/zinc/18/45/69/426184569.db2.gz TWBURUPRJFASHO-UHFFFAOYSA-N -1 1 305.403 2.581 20 0 DFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)CCC(C)C ZINC000078776344 426185819 /nfs/dbraw/zinc/18/58/19/426185819.db2.gz AAQPHCFJLJJWDL-LLVKDONJSA-N -1 1 307.438 2.930 20 0 DFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCc2ccccc21 ZINC000078776208 426186060 /nfs/dbraw/zinc/18/60/60/426186060.db2.gz FYHJJWFGWCARHP-UHFFFAOYSA-N -1 1 311.385 2.579 20 0 DFADMM Cc1ccc(CN(C)C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)o1 ZINC000078794664 426187151 /nfs/dbraw/zinc/18/71/51/426187151.db2.gz PQHSFQZPQLFRNT-UHFFFAOYSA-N -1 1 317.389 2.549 20 0 DFADMM O=C(Nc1cccc(N2CCCC2=O)c1)c1cc(F)ccc1[O-] ZINC000081933035 426227049 /nfs/dbraw/zinc/22/70/49/426227049.db2.gz KEBPUFRNBHLRFU-UHFFFAOYSA-N -1 1 314.316 2.910 20 0 DFADMM CN(C(=O)c1cn[nH]c1-c1ccc(F)cc1)c1nccs1 ZINC000172802210 426232000 /nfs/dbraw/zinc/23/20/00/426232000.db2.gz OKCFXQSWOKIHDE-UHFFFAOYSA-N -1 1 302.334 2.949 20 0 DFADMM O=C(Nc1nnn[n-]1)C1(c2cccc(Cl)c2)CCCCC1 ZINC000118686101 426241574 /nfs/dbraw/zinc/24/15/74/426241574.db2.gz QWLBMJOEZAYFCC-UHFFFAOYSA-N -1 1 305.769 2.694 20 0 DFADMM O=C(Nc1nn[n-]n1)C1(c2cccc(Cl)c2)CCCCC1 ZINC000118686101 426241575 /nfs/dbraw/zinc/24/15/75/426241575.db2.gz QWLBMJOEZAYFCC-UHFFFAOYSA-N -1 1 305.769 2.694 20 0 DFADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ncn(-c2ccccc2)n1 ZINC000119014745 426254960 /nfs/dbraw/zinc/25/49/60/426254960.db2.gz VWQMZEJREXGBOM-UHFFFAOYSA-N -1 1 314.732 2.879 20 0 DFADMM CC[C@@H](C)NC(=O)CCNC(=O)c1ccc2ccccc2c1[O-] ZINC000080430904 426214121 /nfs/dbraw/zinc/21/41/21/426214121.db2.gz ILZGGRXYNWWXBM-GFCCVEGCSA-N -1 1 314.385 2.580 20 0 DFADMM Cc1cccc([C@H](C)C(=O)Nc2cc(-c3nccn3C)n[nH]2)c1 ZINC000119441260 426288447 /nfs/dbraw/zinc/28/84/47/426288447.db2.gz VFGXDDHNSDHLHR-LBPRGKRZSA-N -1 1 309.373 2.861 20 0 DFADMM COC(=O)[C@H]1CCCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000119941619 426304114 /nfs/dbraw/zinc/30/41/14/426304114.db2.gz UZECNEZKGVCTFA-OAHLLOKOSA-N -1 1 313.353 2.713 20 0 DFADMM NC(=O)[C@@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccccc1 ZINC000120964202 426317285 /nfs/dbraw/zinc/31/72/85/426317285.db2.gz KALZKRKFBIMFKV-INIZCTEOSA-N -1 1 320.348 2.502 20 0 DFADMM O=C(NCc1nc(-c2cccs2)no1)c1c([O-])cccc1F ZINC000121220122 426326065 /nfs/dbraw/zinc/32/60/65/426326065.db2.gz QVGSBJPPHIZSJE-UHFFFAOYSA-N -1 1 319.317 2.573 20 0 DFADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)nc2)cc1OC ZINC000121309028 426333843 /nfs/dbraw/zinc/33/38/43/426333843.db2.gz IBWWCJTVYORCJW-UHFFFAOYSA-N -1 1 322.386 2.516 20 0 DFADMM O=C([N-]c1nc2ccc(F)cn2n1)c1c(F)ccc(F)c1F ZINC000121314155 426333863 /nfs/dbraw/zinc/33/38/63/426333863.db2.gz MBQWJFNYXOKOIR-UHFFFAOYSA-N -1 1 310.210 2.538 20 0 DFADMM C[C@@H](NC(=O)c1cncc([O-])c1)c1nc(C2CCCCC2)no1 ZINC000175854692 426334162 /nfs/dbraw/zinc/33/41/62/426334162.db2.gz PKABPRNHPXXYKD-SNVBAGLBSA-N -1 1 316.361 2.709 20 0 DFADMM COc1ccccc1C[C@@H](NC(=O)c1cncc([O-])c1)C(C)C ZINC000175864419 426334487 /nfs/dbraw/zinc/33/44/87/426334487.db2.gz RSNRHNFIETXZSQ-MRXNPFEDSA-N -1 1 314.385 2.793 20 0 DFADMM COc1cc(C(=O)NCCOCCC(C)C)cc(Cl)c1[O-] ZINC000153681755 426399315 /nfs/dbraw/zinc/39/93/15/426399315.db2.gz IFQSIEVYSKIROG-UHFFFAOYSA-N -1 1 315.797 2.847 20 0 DFADMM O=C(Nc1nnn[n-]1)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000121434046 426342332 /nfs/dbraw/zinc/34/23/32/426342332.db2.gz LGZYWIRMOBZCGG-UHFFFAOYSA-N -1 1 305.769 2.595 20 0 DFADMM O=C(Nc1nn[n-]n1)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000121434046 426342335 /nfs/dbraw/zinc/34/23/35/426342335.db2.gz LGZYWIRMOBZCGG-UHFFFAOYSA-N -1 1 305.769 2.595 20 0 DFADMM COc1ccc([C@@H](NC(=O)c2cncc([O-])c2)C(C)C)cc1 ZINC000176290000 426366983 /nfs/dbraw/zinc/36/69/83/426366983.db2.gz XESZLLDKXMLPKP-INIZCTEOSA-N -1 1 300.358 2.923 20 0 DFADMM COCC1CCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)CC1 ZINC000153814044 426408074 /nfs/dbraw/zinc/40/80/74/426408074.db2.gz YNZPFCZBPKUVER-UHFFFAOYSA-N -1 1 313.781 2.553 20 0 DFADMM Cc1nc2c(s1)[C@@H](N(C)C(=O)c1ncccc1[O-])CCC2 ZINC000153810334 426408397 /nfs/dbraw/zinc/40/83/97/426408397.db2.gz JVKFVNIHXKWBBG-NSHDSACASA-N -1 1 303.387 2.702 20 0 DFADMM CCO[C@H]1C[C@@H](N(C)C(=O)c2ncccc2[O-])C12CCCC2 ZINC000153880765 426411100 /nfs/dbraw/zinc/41/11/00/426411100.db2.gz PXICUQCQLNLIJJ-KGLIPLIRSA-N -1 1 304.390 2.597 20 0 DFADMM CCCCc1ccc(CC(=O)N[C@@H](CCC)c2nn[n-]n2)cc1 ZINC000176754555 426412101 /nfs/dbraw/zinc/41/21/01/426412101.db2.gz IJRPYESRXZRBJT-HNNXBMFYSA-N -1 1 315.421 2.742 20 0 DFADMM CCC[C@@H](NC(=O)CSc1cc(C)ccc1C)c1nn[n-]n1 ZINC000176782331 426413989 /nfs/dbraw/zinc/41/39/89/426413989.db2.gz PFTSKLCFZSCRPK-GFCCVEGCSA-N -1 1 319.434 2.566 20 0 DFADMM CC(=O)[C@H](C)CCCCC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000154246258 426432766 /nfs/dbraw/zinc/43/27/66/426432766.db2.gz SHHQCGJVRWBSJO-SSDOTTSWSA-N -1 1 306.288 2.548 20 0 DFADMM O=S(=O)([N-][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1cc(F)ccc1F ZINC000154365332 426438046 /nfs/dbraw/zinc/43/80/46/426438046.db2.gz OPQJJSJFDSLJJT-UHOFOFEASA-N -1 1 321.348 2.581 20 0 DFADMM COc1ccc2c(c1)[n-]cc(C(=O)N1CC[C@H](C)[C@@H]1C)c2=O ZINC000177076325 426441869 /nfs/dbraw/zinc/44/18/69/426441869.db2.gz FFRUWHYFYXGVNN-QWRGUYRKSA-N -1 1 300.358 2.820 20 0 DFADMM C[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000340844041 269020747 /nfs/dbraw/zinc/02/07/47/269020747.db2.gz VGWSIJVAXGMYJP-KOLCDFICSA-N -1 1 321.801 2.715 20 0 DFADMM O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ncccc1[O-] ZINC000123936469 426462683 /nfs/dbraw/zinc/46/26/83/426462683.db2.gz LMMVDRSSUVRXFV-CQSZACIVSA-N -1 1 324.340 2.767 20 0 DFADMM CSCCCNC(=O)c1cc(Br)ccc1[O-] ZINC000124117419 426470911 /nfs/dbraw/zinc/47/09/11/426470911.db2.gz FOVJHXUMNJWCMQ-UHFFFAOYSA-N -1 1 304.209 2.638 20 0 DFADMM C[C@H](CC1CCCCC1)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155489348 426473384 /nfs/dbraw/zinc/47/33/84/426473384.db2.gz FOULIKUTEKDYCR-OCCSQVGLSA-N -1 1 305.426 2.512 20 0 DFADMM O=C(Cc1ccccc1Br)[N-]O[C@H]1CCCCO1 ZINC000264194575 426514873 /nfs/dbraw/zinc/51/48/73/426514873.db2.gz OGPDDMZPUJNUED-ZDUSSCGKSA-N -1 1 314.179 2.566 20 0 DFADMM Cc1cc(Br)c([O-])c(NC(=O)[C@]2(C)CCCO2)c1 ZINC000272448790 426527177 /nfs/dbraw/zinc/52/71/77/426527177.db2.gz JIONWIGLTRPHNH-ZDUSSCGKSA-N -1 1 314.179 2.971 20 0 DFADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1nc2ccccc2n1C ZINC000186717246 426585498 /nfs/dbraw/zinc/58/54/98/426585498.db2.gz NIRPSSCZNBUKDS-SNVBAGLBSA-N -1 1 313.332 2.909 20 0 DFADMM O=C(NOC1CCCC1)c1cc(Br)ccc1[O-] ZINC000224063671 426591517 /nfs/dbraw/zinc/59/15/17/426591517.db2.gz GODGPUNUGNANPT-UHFFFAOYSA-N -1 1 300.152 2.759 20 0 DFADMM O=C(N[C@@H](Cc1ccccc1)C1CC1)C(=O)c1ccc([O-])cc1 ZINC000280819165 426664006 /nfs/dbraw/zinc/66/40/06/426664006.db2.gz RLWNMNRHVKSCLY-KRWDZBQOSA-N -1 1 309.365 2.712 20 0 DFADMM CC(C)(C)[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C[C@H]1O ZINC000273650565 426702924 /nfs/dbraw/zinc/70/29/24/426702924.db2.gz VORUEDPDOGQHHW-TZMCWYRMSA-N -1 1 311.809 2.915 20 0 DFADMM O=C([O-])[C@H]1CCN(CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000178901798 426716219 /nfs/dbraw/zinc/71/62/19/426716219.db2.gz CCTSPGOAEIWVIG-HNNXBMFYSA-N -1 1 324.380 2.699 20 0 DFADMM CCOc1ccc(OCCSc2nc(CC)cc(=O)[n-]2)cc1 ZINC000188093676 426721805 /nfs/dbraw/zinc/72/18/05/426721805.db2.gz FXGMMOCZFLWWNN-UHFFFAOYSA-N -1 1 320.414 2.902 20 0 DFADMM CCCOc1ccc(S(=O)(=O)[N-]c2cccnc2C)cc1 ZINC000266736764 426771119 /nfs/dbraw/zinc/77/11/19/426771119.db2.gz KYWQXLCCYNPPRE-UHFFFAOYSA-N -1 1 306.387 2.980 20 0 DFADMM COC(=O)c1cncc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000179284372 426774810 /nfs/dbraw/zinc/77/48/10/426774810.db2.gz AWPLIDQDIAOONX-UHFFFAOYSA-N -1 1 322.320 2.979 20 0 DFADMM O=C(Nc1nc(Cl)ccc1[O-])[C@H]1CCCN1c1nccs1 ZINC000188373912 426746915 /nfs/dbraw/zinc/74/69/15/426746915.db2.gz GOIBJZZYMCRBAW-MRVPVSSYSA-N -1 1 324.793 2.505 20 0 DFADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@H]1CCCN1c1nccs1 ZINC000188373889 426747407 /nfs/dbraw/zinc/74/74/07/426747407.db2.gz GOIBJZZYMCRBAW-QMMMGPOBSA-N -1 1 324.793 2.505 20 0 DFADMM O=c1cc(C[N@H+]2CCC3(C2)CCOCC3)c2ccc(O)cc2o1 ZINC000266631535 426752666 /nfs/dbraw/zinc/75/26/66/426752666.db2.gz PVZOAFQJTRUOIG-UHFFFAOYSA-N -1 1 315.369 2.501 20 0 DFADMM C[C@@H]1CN(C(=O)c2c[n-]c3c(cnn3C)c2=O)[C@H]1c1ccccc1 ZINC000179525148 426797497 /nfs/dbraw/zinc/79/74/97/426797497.db2.gz QLGUUAUEFCKNSL-IAQYHMDHSA-N -1 1 322.368 2.507 20 0 DFADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1 ZINC000188899092 426798524 /nfs/dbraw/zinc/79/85/24/426798524.db2.gz CETFOHHXEMJQQU-UHFFFAOYSA-N -1 1 318.398 2.710 20 0 DFADMM C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])[C@H]1CCCO1 ZINC000180369819 426857061 /nfs/dbraw/zinc/85/70/61/426857061.db2.gz MIZYFHFSUOWEHJ-QPUJVOFHSA-N -1 1 303.280 2.708 20 0 DFADMM CC(C)[C@H]1CCCN(C(=O)c2c[n-]c3c(cnn3C)c2=O)CC1 ZINC000179715262 426814425 /nfs/dbraw/zinc/81/44/25/426814425.db2.gz HUNDSNOUFIZMDV-LBPRGKRZSA-N -1 1 316.405 2.572 20 0 DFADMM [O-]C(=NO[C@H]1CCCCO1)Nc1nc(C(F)(F)F)cs1 ZINC000274782906 426835860 /nfs/dbraw/zinc/83/58/60/426835860.db2.gz WAYNQLCBJAKUIF-ZETCQYMHSA-N -1 1 311.285 2.742 20 0 DFADMM O=C([N-]O[C@H]1CCCCO1)Nc1nc(C(F)(F)F)cs1 ZINC000274782906 426835866 /nfs/dbraw/zinc/83/58/66/426835866.db2.gz WAYNQLCBJAKUIF-ZETCQYMHSA-N -1 1 311.285 2.742 20 0 DFADMM Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N1CC[C@@H](C(=O)[O-])C1 ZINC000246495396 426838299 /nfs/dbraw/zinc/83/82/99/426838299.db2.gz PMRFDPBGPXJMCV-ZIAGYGMSSA-N -1 1 318.417 2.852 20 0 DFADMM O=C([O-])[C@@H]1CCN([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000246541959 426843754 /nfs/dbraw/zinc/84/37/54/426843754.db2.gz 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O=C(N[C@H]1CCc2nc[nH]c2C1)c1ccc2ccccc2c1O ZINC000372333178 428430916 /nfs/dbraw/zinc/43/09/16/428430916.db2.gz NGNDFAXYYQIXJC-LBPRGKRZSA-N -1 1 307.353 2.556 20 0 DFADMM Cc1cc(NCc2cccc([O-])c2Cl)ccc1-n1cnnn1 ZINC000393236977 428484195 /nfs/dbraw/zinc/48/41/95/428484195.db2.gz JHYAGSMUCHOSOB-UHFFFAOYSA-N -1 1 315.764 2.942 20 0 DFADMM Cc1ccnc(CNC(=O)c2ccc(Br)cc2[O-])c1 ZINC000394283307 428488907 /nfs/dbraw/zinc/48/89/07/428488907.db2.gz UKDJKQSAJYVZOJ-UHFFFAOYSA-N -1 1 321.174 2.788 20 0 DFADMM C[C@@](O)(Cc1ccccc1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000357384421 428508231 /nfs/dbraw/zinc/50/82/31/428508231.db2.gz ZBKYKHWCFWJSHE-MRXNPFEDSA-N -1 1 305.761 2.978 20 0 DFADMM C[C@H]1C[C@H](NC(=O)c2ccc(Br)cc2[O-])CS1 ZINC000397829249 428512849 /nfs/dbraw/zinc/51/28/49/428512849.db2.gz CCXMUVFSIVGCGB-CBAPKCEASA-N -1 1 316.220 2.779 20 0 DFADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ncc(C(F)(F)F)[nH]1 ZINC000357393004 428512997 /nfs/dbraw/zinc/51/29/97/428512997.db2.gz SPPLBGQCWJWOHW-UHFFFAOYSA-N -1 1 323.271 2.677 20 0 DFADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cnc2nccnc2c1 ZINC000353383377 428515511 /nfs/dbraw/zinc/51/55/11/428515511.db2.gz JFSQCLHCQBZBPA-UHFFFAOYSA-N -1 1 300.705 2.636 20 0 DFADMM O=C(Nc1ccc2c(c1)C(=O)CCO2)c1cc(F)ccc1[O-] ZINC000373251614 428527622 /nfs/dbraw/zinc/52/76/22/428527622.db2.gz XKKMVCQOBNMMJZ-UHFFFAOYSA-N -1 1 301.273 2.749 20 0 DFADMM Cc1cnc(N)c(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1 ZINC000347295739 428532729 /nfs/dbraw/zinc/53/27/29/428532729.db2.gz CBMPPMGHGDOWFT-UHFFFAOYSA-N -1 1 315.757 2.566 20 0 DFADMM CCC[C@@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)c1nn[n-]n1 ZINC000343725349 428564905 /nfs/dbraw/zinc/56/49/05/428564905.db2.gz JTVFCIKBGDYEKZ-DLUQRMLASA-N -1 1 317.437 2.764 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCCC2(CCC2)C1 ZINC000373415711 428570803 /nfs/dbraw/zinc/57/08/03/428570803.db2.gz DDVHOMUBAHZACQ-UHFFFAOYSA-N -1 1 307.419 2.619 20 0 DFADMM COc1ccc(C[C@@H]2CCCN2C(=O)c2ncccc2[O-])cc1 ZINC000373529001 428597564 /nfs/dbraw/zinc/59/75/64/428597564.db2.gz 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CCC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)co1)C(C)(C)C ZINC000451788831 428976361 /nfs/dbraw/zinc/97/63/61/428976361.db2.gz ZVFNYELQONUBNA-NSHDSACASA-N -1 1 317.407 2.559 20 0 DFADMM O=C(Nc1nnn[n-]1)c1ccc(-c2cccc3cccnc32)cc1 ZINC000375812445 428980907 /nfs/dbraw/zinc/98/09/07/428980907.db2.gz XSNDDRUTXVNKFH-UHFFFAOYSA-N -1 1 316.324 2.667 20 0 DFADMM O=C(Nc1nn[n-]n1)c1ccc(-c2cccc3cccnc32)cc1 ZINC000375812445 428980912 /nfs/dbraw/zinc/98/09/12/428980912.db2.gz XSNDDRUTXVNKFH-UHFFFAOYSA-N -1 1 316.324 2.667 20 0 DFADMM CC1(C2([N-]S(=O)(=O)c3ccc(F)c(F)c3F)CC2)CC1 ZINC000451990012 429033793 /nfs/dbraw/zinc/03/37/93/429033793.db2.gz CUBGKDNNKDOWKS-UHFFFAOYSA-N -1 1 305.321 2.715 20 0 DFADMM Cc1cccnc1CC[N-]S(=O)(=O)c1sccc1Cl ZINC000451819232 428986284 /nfs/dbraw/zinc/98/62/84/428986284.db2.gz UFNJRZREJRANJR-UHFFFAOYSA-N -1 1 316.835 2.626 20 0 DFADMM COc1cc(C(=O)[N-]c2nc(-c3c(F)cccc3F)co2)on1 ZINC000363840104 428996218 /nfs/dbraw/zinc/99/62/18/428996218.db2.gz YEUNTVYHOXWVNQ-UHFFFAOYSA-N -1 1 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/nfs/dbraw/zinc/05/42/62/430054262.db2.gz UGJZNNMRKSAUES-JOYOIKCWSA-N -1 1 314.307 2.659 20 0 DFADMM CC(C)[C@H]1CCc2[n-]n(CCOCC(F)(F)F)c(=O)c2C1 ZINC000634618923 430055231 /nfs/dbraw/zinc/05/52/31/430055231.db2.gz IVFGQHBWQLQWIZ-QWRGUYRKSA-N -1 1 306.328 2.836 20 0 DFADMM CCc1c(=O)n(C[C@@H](O)CC)[n-]c1-c1ccc(F)cc1Cl ZINC000634627534 430058117 /nfs/dbraw/zinc/05/81/17/430058117.db2.gz FJOBZYAUDVTHMA-WDEREUQCSA-N -1 1 312.772 2.823 20 0 DFADMM CCCc1cc([N-]S(=O)(=O)c2ccc(C(F)F)o2)n[nH]1 ZINC000634656632 430067282 /nfs/dbraw/zinc/06/72/82/430067282.db2.gz XMQQQUSWUWVBJV-UHFFFAOYSA-N -1 1 305.306 2.694 20 0 DFADMM Cc1cc(S(=O)(=O)[N-]c2cc(CC(C)(C)C)n[nH]2)sn1 ZINC000634656321 430068179 /nfs/dbraw/zinc/06/81/79/430068179.db2.gz HTJWKDBBWOIINY-UHFFFAOYSA-N -1 1 314.436 2.564 20 0 DFADMM O=C([O-])C12CCC(CC1)N2Cc1nccn1Cc1ccccc1 ZINC000634696514 430083445 /nfs/dbraw/zinc/08/34/45/430083445.db2.gz AVVQHGUADNILMZ-UHFFFAOYSA-N -1 1 311.385 2.513 20 0 DFADMM Cc1oc(CN(C)Cc2ccccc2N(C)C)cc1C(=O)[O-] ZINC000581017918 430170225 /nfs/dbraw/zinc/17/02/25/430170225.db2.gz ZGKTVELXYGUCGO-UHFFFAOYSA-N -1 1 302.374 2.984 20 0 DFADMM CCC[C@@H](C)S(=O)(=O)[N-]c1ccn(C2CCSCC2)n1 ZINC000634794739 430116382 /nfs/dbraw/zinc/11/63/82/430116382.db2.gz PPHNMHDFIDGNHR-LLVKDONJSA-N -1 1 317.480 2.882 20 0 DFADMM CCCN(Cc1cc(C(=O)[O-])nn1C)Cc1ccc(C)cc1 ZINC000635300561 430246523 /nfs/dbraw/zinc/24/65/23/430246523.db2.gz UNPUNNRQJKVBDU-UHFFFAOYSA-N -1 1 301.390 2.839 20 0 DFADMM CN(CCCCc1ccccc1)Cc1cc(C(=O)[O-])nn1C ZINC000635299414 430247195 /nfs/dbraw/zinc/24/71/95/430247195.db2.gz SKJRYRUGECVSMY-UHFFFAOYSA-N -1 1 301.390 2.573 20 0 DFADMM CC(C)[C@H](NC(=O)Cc1ccc([O-])c(Cl)c1)c1ncc[nH]1 ZINC000640724904 430248207 /nfs/dbraw/zinc/24/82/07/430248207.db2.gz YQYZRFCRYKGEDF-AWEZNQCLSA-N -1 1 307.781 2.825 20 0 DFADMM CCCCO[C@@H]1C[C@@H](N(C)Cc2cc(C(=O)[O-])nn2C)C1(C)C ZINC000635303212 430249172 /nfs/dbraw/zinc/24/91/72/430249172.db2.gz JDPFCIXEERDEMV-HUUCEWRRSA-N -1 1 323.437 2.534 20 0 DFADMM Cn1nc(C(=O)[O-])cc1CN[C@H]1CCc2c1cccc2Cl ZINC000635306119 430251437 /nfs/dbraw/zinc/25/14/37/430251437.db2.gz PZDGDKQKGKQLLR-ZDUSSCGKSA-N -1 1 305.765 2.549 20 0 DFADMM CC[C@@H](c1cccc(OC)c1)N(C)Cc1cc(C(=O)[O-])nn1C ZINC000635312435 430252967 /nfs/dbraw/zinc/25/29/67/430252967.db2.gz LCHFLAJCYOTOHH-INIZCTEOSA-N -1 1 317.389 2.710 20 0 DFADMM CC[C@@](C)(NCc1cc(C(=O)[O-])nn1C)c1ccc(F)cc1 ZINC000635314588 430253754 /nfs/dbraw/zinc/25/37/54/430253754.db2.gz GSKSKKLNBKRMCJ-MRXNPFEDSA-N -1 1 305.353 2.672 20 0 DFADMM CCN(Cc1cc(C(=O)[O-])co1)C[C@@H]1COc2ccccc2O1 ZINC000566359358 430254578 /nfs/dbraw/zinc/25/45/78/430254578.db2.gz RJWKMDDDQRVVPP-CQSZACIVSA-N -1 1 317.341 2.640 20 0 DFADMM C[C@H]1CCN(Cc2nc3ccc(F)cc3s2)C[C@H]1C(=O)[O-] ZINC000582122615 430270904 /nfs/dbraw/zinc/27/09/04/430270904.db2.gz UDGGHZMCYPNDQV-GXSJLCMTSA-N -1 1 308.378 2.978 20 0 DFADMM CC(C)[C@@H]1CN(c2c(C(=O)[O-])c[nH+]c3ccccc32)CC[N@H+]1C ZINC000582244142 430281227 /nfs/dbraw/zinc/28/12/27/430281227.db2.gz MWVUOINMENDJOP-INIZCTEOSA-N -1 1 313.401 2.709 20 0 DFADMM CCCCN(C(=O)CCCc1nn[n-]n1)[C@H](C)c1ccccc1 ZINC000635446884 430281686 /nfs/dbraw/zinc/28/16/86/430281686.db2.gz ODGDGGOWHXEEKK-CQSZACIVSA-N -1 1 315.421 2.912 20 0 DFADMM Cc1onc(CN2CC[C@@H](Cc3ccc(F)cc3)C2)c1C(=O)[O-] ZINC000582246618 430282457 /nfs/dbraw/zinc/28/24/57/430282457.db2.gz JJODIUFKUOCGQM-ZDUSSCGKSA-N -1 1 318.348 2.885 20 0 DFADMM CSc1nc(CNC(=O)c2ccc(C3CC3)cc2)cc(=O)[n-]1 ZINC000640654888 430226486 /nfs/dbraw/zinc/22/64/86/430226486.db2.gz DDTOEMNDULSBDA-UHFFFAOYSA-N -1 1 315.398 2.712 20 0 DFADMM CSc1nc(CNC(=O)[C@H]2CCCC(C)(C)C2)cc(=O)[n-]1 ZINC000640655774 430227395 /nfs/dbraw/zinc/22/73/95/430227395.db2.gz IJGYRKJVXRGXDN-JTQLQIEISA-N -1 1 309.435 2.737 20 0 DFADMM CCc1nc(S[C@H](C)C(=O)N2CCCCCC2)[n-]c(=O)c1C ZINC000581737782 430237751 /nfs/dbraw/zinc/23/77/51/430237751.db2.gz RQXMHXZTVCSJAP-GFCCVEGCSA-N -1 1 323.462 2.936 20 0 DFADMM CO[C@@H]1C[C@@H](CC(=O)[O-])N(Cc2nc(C(C)(C)C)cs2)C1 ZINC000567905751 430292915 /nfs/dbraw/zinc/29/29/15/430292915.db2.gz PLZXQWIDNKOMEV-WDEREUQCSA-N -1 1 312.435 2.505 20 0 DFADMM Cc1ccccc1[C@H](CC(C)C)NC(=O)CCCc1nn[n-]n1 ZINC000635554721 430306413 /nfs/dbraw/zinc/30/64/13/430306413.db2.gz UUHQSKMUNWSDFZ-HNNXBMFYSA-N -1 1 315.421 2.734 20 0 DFADMM O=C(Nc1nc(-c2cc3ccccc3o2)n[nH]1)[C@@H]1C[C@]12CCOC2 ZINC000582521929 430307625 /nfs/dbraw/zinc/30/76/25/430307625.db2.gz FOQROSHHHKJSNV-GTNSWQLSSA-N -1 1 324.340 2.583 20 0 DFADMM Cc1ccc([C@H]2CCCCCN2C(=O)CCCc2nn[n-]n2)o1 ZINC000635591484 430315544 /nfs/dbraw/zinc/31/55/44/430315544.db2.gz NCQNQEMTCJKSRB-CYBMUJFWSA-N -1 1 317.393 2.568 20 0 DFADMM Cc1ccc([C@H]2CCCCN2C(=O)CCCc2nn[n-]n2)cc1 ZINC000635602726 430320584 /nfs/dbraw/zinc/32/05/84/430320584.db2.gz IZMIYESGWXUZAU-OAHLLOKOSA-N -1 1 313.405 2.585 20 0 DFADMM Cc1ccc([C@@H]2CCN(C(=O)c3cccc4nn[nH]c43)C2)cc1 ZINC000582704434 430325012 /nfs/dbraw/zinc/32/50/12/430325012.db2.gz YRWTUJYFOZGSJF-CQSZACIVSA-N -1 1 306.369 2.896 20 0 DFADMM CSc1ccc(NC(=O)CCCc2nn[n-]n2)cc1Cl ZINC000635644635 430333245 /nfs/dbraw/zinc/33/32/45/430333245.db2.gz QYVMHVLGTWLJDN-UHFFFAOYSA-N -1 1 311.798 2.536 20 0 DFADMM Cc1sc(NC(=O)CN2CC[C@@H](C)[C@H](C(=O)[O-])C2)c(C)c1C ZINC000583630456 430413801 /nfs/dbraw/zinc/41/38/01/430413801.db2.gz CZDWEBDOKBHNSF-NOZJJQNGSA-N -1 1 324.446 2.654 20 0 DFADMM O=S(=O)([N-]C1Cc2ccccc2C1)c1cc2ccccc2o1 ZINC000546537547 430355997 /nfs/dbraw/zinc/35/59/97/430355997.db2.gz OKKVMKRTHNDDJD-UHFFFAOYSA-N -1 1 313.378 2.879 20 0 DFADMM O=C(CCCc1nn[n-]n1)N[C@@H](CC1CCC1)c1ccccc1 ZINC000635777018 430374282 /nfs/dbraw/zinc/37/42/82/430374282.db2.gz NXKAEBZTXAIYBP-HNNXBMFYSA-N -1 1 313.405 2.570 20 0 DFADMM CO[C@H]1C[C@@H](CC(=O)[O-])N(Cc2cccc(Cl)c2F)C1 ZINC000568874117 430400854 /nfs/dbraw/zinc/40/08/54/430400854.db2.gz IUCWSWALQOLISE-QWRGUYRKSA-N -1 1 301.745 2.543 20 0 DFADMM CC(=O)c1cc(C(=O)Nc2cccc([O-])c2F)c(C)nc1C ZINC000547625487 430405666 /nfs/dbraw/zinc/40/56/66/430405666.db2.gz WYTJVILWUBZQIK-UHFFFAOYSA-N -1 1 302.305 2.998 20 0 DFADMM Cc1cccc(-c2noc(CN3C[C@@H](C(=O)[O-])CC[C@H]3C)n2)c1 ZINC000568983044 430410418 /nfs/dbraw/zinc/41/04/18/430410418.db2.gz BIOLXRDZCVFMRV-OCCSQVGLSA-N -1 1 315.373 2.730 20 0 DFADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(CCO)c1 ZINC000641690202 430444074 /nfs/dbraw/zinc/44/40/74/430444074.db2.gz MCMFMULOVSAFCV-UHFFFAOYSA-N -1 1 305.399 2.585 20 0 DFADMM Cc1cc(S(=O)(=O)[N-][C@H](C)C(F)F)c(Cl)cc1F ZINC000641700785 430446204 /nfs/dbraw/zinc/44/62/04/430446204.db2.gz ASZNXMODWOLCQG-ZCFIWIBFSA-N -1 1 301.717 2.719 20 0 DFADMM COc1ccc(OCC[N@@H+](C)Cc2ccccc2C(=O)[O-])cc1 ZINC000569463951 430457668 /nfs/dbraw/zinc/45/76/68/430457668.db2.gz TUHMIOWALSCNTA-UHFFFAOYSA-N -1 1 315.369 2.904 20 0 DFADMM COC(=O)[C@H](CN=c1nc(C2CCCC2)[n-]s1)CC1CC1 ZINC000569490696 430459578 /nfs/dbraw/zinc/45/95/78/430459578.db2.gz AERRZKPARXFFKM-LBPRGKRZSA-N -1 1 309.435 2.619 20 0 DFADMM Cc1ccccc1NC(=O)CN1CCC[C@@H](CC(=O)[O-])CC1 ZINC000641795207 430474315 /nfs/dbraw/zinc/47/43/15/430474315.db2.gz ZXMWOMNELHILAI-CQSZACIVSA-N -1 1 304.390 2.510 20 0 DFADMM Cc1ccccc1NC(=O)[C@H](C)N1CCC[C@H](CC(=O)[O-])CC1 ZINC000641796558 430476143 /nfs/dbraw/zinc/47/61/43/430476143.db2.gz ZLOPBMOUSIYFQZ-GJZGRUSLSA-N -1 1 318.417 2.899 20 0 DFADMM O=C([O-])C[C@@H]1CCCN1Cc1ccn(CCc2ccccc2)n1 ZINC000569981391 430503205 /nfs/dbraw/zinc/50/32/05/430503205.db2.gz BGXSYYUUPQKGFI-KRWDZBQOSA-N -1 1 313.401 2.565 20 0 DFADMM O=C(c1cncc([O-])c1)N1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000636300340 430508051 /nfs/dbraw/zinc/50/80/51/430508051.db2.gz SWCUVWQBYZITAA-GFCCVEGCSA-N -1 1 322.368 2.683 20 0 DFADMM CC(C)(C)n1cnc([N-]C(=O)c2coc(C3CCCC3)n2)n1 ZINC000548989658 430513724 /nfs/dbraw/zinc/51/37/24/430513724.db2.gz ZUTBWHMSJMDNAO-UHFFFAOYSA-N -1 1 303.366 2.931 20 0 DFADMM CCCc1nc(C)c(C(=O)[N-]c2nnc([C@@H]3CCCO3)s2)o1 ZINC000636357079 430523390 /nfs/dbraw/zinc/52/33/90/430523390.db2.gz KRJQLRXLQDXUHH-VIFPVBQESA-N -1 1 322.390 2.891 20 0 DFADMM CC1=C(C)C[C@@H](C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)CC1 ZINC000570282800 430529572 /nfs/dbraw/zinc/52/95/72/430529572.db2.gz PIBWHDNGJNLBDR-ZDUSSCGKSA-N -1 1 305.378 2.618 20 0 DFADMM CC[C@H](CSC)[N-]S(=O)(=O)c1nc2ccccc2s1 ZINC000570679404 430566297 /nfs/dbraw/zinc/56/62/97/430566297.db2.gz NAMMFGPSPXULPB-SECBINFHSA-N -1 1 316.473 2.716 20 0 DFADMM Cc1cccc2nc(CNC(=O)CC3(CC(=O)[O-])CCC3)[nH]c21 ZINC000643342617 430587688 /nfs/dbraw/zinc/58/76/88/430587688.db2.gz QCXWUGJCKGBHCH-UHFFFAOYSA-N -1 1 315.373 2.523 20 0 DFADMM O=C(NCc1cnc2nccn2c1)c1cc2ccccc2cc1[O-] ZINC000552206751 430589591 /nfs/dbraw/zinc/58/95/91/430589591.db2.gz IJAJSFAUPTWLCI-UHFFFAOYSA-N -1 1 318.336 2.518 20 0 DFADMM CC(C)c1nc(C2(NCc3ncccc3[O-])CCCC2)no1 ZINC000554861172 430654879 /nfs/dbraw/zinc/65/48/79/430654879.db2.gz JVIPQPMJRLFNNQ-UHFFFAOYSA-N -1 1 302.378 2.853 20 0 DFADMM O=C([N-]c1nnc(C2CC2)s1)c1cc(F)cc2nccnc21 ZINC000554520044 430640388 /nfs/dbraw/zinc/64/03/88/430640388.db2.gz UWROADAYPQYTNI-UHFFFAOYSA-N -1 1 315.333 2.750 20 0 DFADMM CCC(CC)(C[N-]S(=O)(=O)c1cc2ccccc2o1)OC ZINC000571736055 430647985 /nfs/dbraw/zinc/64/79/85/430647985.db2.gz OPCWHURLRYJQRW-UHFFFAOYSA-N -1 1 311.403 2.916 20 0 DFADMM CCC[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1nn[n-]n1 ZINC000556854276 430694870 /nfs/dbraw/zinc/69/48/70/430694870.db2.gz ASZRKTUWJCRPCI-YNEHKIRRSA-N -1 1 319.796 2.614 20 0 DFADMM CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1ncccc1[O-] ZINC000153742689 278357650 /nfs/dbraw/zinc/35/76/50/278357650.db2.gz BJUQJYTYPODSOI-HNNXBMFYSA-N -1 1 312.369 2.780 20 0 DFADMM C[C@@H](C(=O)Nc1cccc(F)c1)N1CCC[C@@H](CC(=O)[O-])CC1 ZINC000648422354 430782629 /nfs/dbraw/zinc/78/26/29/430782629.db2.gz PKDVNWQNOQDLHM-QWHCGFSZSA-N -1 1 322.380 2.730 20 0 DFADMM O=c1cc(C(F)F)nc(SCc2cc3n(n2)CCCC3)[n-]1 ZINC000651198225 430735418 /nfs/dbraw/zinc/73/54/18/430735418.db2.gz SXYVYTWZPNWANA-UHFFFAOYSA-N -1 1 312.345 2.945 20 0 DFADMM Cc1nnc(N(C)C(=O)c2ccc(C(F)(F)F)c([O-])c2)s1 ZINC000644634899 430776559 /nfs/dbraw/zinc/77/65/59/430776559.db2.gz AIAIGKSETLOSOR-UHFFFAOYSA-N -1 1 317.292 2.848 20 0 DFADMM 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CCn1c(C)cc(C([O-])=C[S@](=O)c2ccc(C)cn2)c1C ZINC000078295863 341239800 /nfs/dbraw/zinc/23/98/00/341239800.db2.gz CGJOYBKWRQWYTN-OAQYLSRUSA-N -1 1 304.415 2.819 20 0 DFADMM COCC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000101577785 500624262 /nfs/dbraw/zinc/62/42/62/500624262.db2.gz SNBHDNJCFOBLML-ZCFIWIBFSA-N -1 1 318.247 2.758 20 0 DFADMM C[C@H](CCO)CCNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000295573672 533958296 /nfs/dbraw/zinc/95/82/96/533958296.db2.gz NSRCAQRFYSYXNM-VIFPVBQESA-N -1 1 305.296 2.549 20 0 DFADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)cn1 ZINC000331969665 534213172 /nfs/dbraw/zinc/21/31/72/534213172.db2.gz ULSDWRQOFXGTBI-UHFFFAOYSA-N -1 1 306.391 2.572 20 0 DFADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2)c(Cl)c1 ZINC000312409236 534546591 /nfs/dbraw/zinc/54/65/91/534546591.db2.gz ITUCWLSXXNUOSB-UHFFFAOYSA-N -1 1 311.746 2.839 20 0 DFADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C ZINC000157525136 522160787 /nfs/dbraw/zinc/16/07/87/522160787.db2.gz PQGDXEVHKCECNK-UHFFFAOYSA-N -1 1 323.345 2.722 20 0 DFADMM CSc1ccc([N-]S(=O)(=O)Cc2ccccc2F)nc1 ZINC000158438317 526043096 /nfs/dbraw/zinc/04/30/96/526043096.db2.gz ZVSULQOFYZCOMP-UHFFFAOYSA-N -1 1 312.391 2.885 20 0 DFADMM CC(C)(C)c1nc(S(=O)(=O)Cc2sccc2Cl)n[n-]1 ZINC000295885808 526849088 /nfs/dbraw/zinc/84/90/88/526849088.db2.gz KPJUUGMUNJPUOD-UHFFFAOYSA-N -1 1 319.839 2.791 20 0 DFADMM O=C(N[C@H]1CCN(c2ccccc2)C1)c1ccc([O-])cc1F ZINC000154869557 527049004 /nfs/dbraw/zinc/04/90/04/527049004.db2.gz RZVSKQSSMUTYBM-LBPRGKRZSA-N -1 1 300.333 2.540 20 0 DFADMM CCOc1cc(C(=O)NCc2nccs2)cc(Cl)c1[O-] ZINC000186630152 535664753 /nfs/dbraw/zinc/66/47/53/535664753.db2.gz VDHNIGKYALGEDJ-UHFFFAOYSA-N -1 1 312.778 2.831 20 0 DFADMM COC(=O)c1cc(F)cc([N-]C(=O)c2ccc(C(C)=O)o2)c1F ZINC000358014492 536502387 /nfs/dbraw/zinc/50/23/87/536502387.db2.gz FDDKNFIMAWUVBX-UHFFFAOYSA-N -1 1 323.251 2.799 20 0 DFADMM COc1ccc2c(c1)[C@H](C)CN(C(=O)c1ncccc1[O-])CC2 ZINC000366601661 537010435 /nfs/dbraw/zinc/01/04/35/537010435.db2.gz AYTCNXCOCVVHRG-GFCCVEGCSA-N -1 1 312.369 2.598 20 0 DFADMM COc1ccccc1C1(CNC(=O)c2ncccc2[O-])CCC1 ZINC000354532767 537012043 /nfs/dbraw/zinc/01/20/43/537012043.db2.gz WSQVCEBHWGDKOD-UHFFFAOYSA-N -1 1 312.369 2.648 20 0 DFADMM Cc1nc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)cs1 ZINC000680973795 545573493 /nfs/dbraw/zinc/57/34/93/545573493.db2.gz OJBBRUAPIAMJOP-UHFFFAOYSA-N -1 1 320.798 2.723 20 0 DFADMM CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc([O-])c(F)c1 ZINC000681014424 545581468 /nfs/dbraw/zinc/58/14/68/545581468.db2.gz MAWCRTZKGWASLN-UHFFFAOYSA-N -1 1 317.316 2.922 20 0 DFADMM O=C(Nc1ccc2c(c1)NC(=O)CS2)c1ccc([O-])c(F)c1 ZINC000681015234 545581812 /nfs/dbraw/zinc/58/18/12/545581812.db2.gz BPOKNWSWYLQFHA-UHFFFAOYSA-N -1 1 318.329 2.828 20 0 DFADMM CN1CCN(C(=O)c2ccc([O-])c(F)c2)[C@H](c2ccccc2)C1 ZINC000681013919 545581849 /nfs/dbraw/zinc/58/18/49/545581849.db2.gz AJYYXAPPIRJUCX-INIZCTEOSA-N -1 1 314.360 2.660 20 0 DFADMM COc1cc(NC(=O)c2ccc([O-])c(F)c2)cc(OC)c1OC ZINC000681016485 545582483 /nfs/dbraw/zinc/58/24/83/545582483.db2.gz YKUHRYKEOLXROO-UHFFFAOYSA-N -1 1 321.304 2.809 20 0 DFADMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc(NC(N)=O)cc1 ZINC000681017624 545583157 /nfs/dbraw/zinc/58/31/57/545583157.db2.gz IOSLBLWWDPTPAH-SECBINFHSA-N -1 1 317.320 2.513 20 0 DFADMM O=C(Nc1nnc(C(F)(F)F)s1)c1ccc([O-])c(F)c1 ZINC000681021862 545583894 /nfs/dbraw/zinc/58/38/94/545583894.db2.gz SMKRBIGGOLJMHU-UHFFFAOYSA-N -1 1 307.228 2.654 20 0 DFADMM CCOc1cc(CNC(=O)c2ccc([O-])c(F)c2)ccc1OC ZINC000681047220 545587947 /nfs/dbraw/zinc/58/79/47/545587947.db2.gz XMOFQOFUZYKICH-UHFFFAOYSA-N -1 1 319.332 2.869 20 0 DFADMM COCc1cc(CNC(=O)c2ccc([O-])c(F)c2)ccc1F ZINC000681045274 545588070 /nfs/dbraw/zinc/58/80/70/545588070.db2.gz WRJNLHJVSGJJMQ-UHFFFAOYSA-N -1 1 307.296 2.747 20 0 DFADMM C[C@H](CNC(=O)c1ccc([O-])c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000681043746 545588198 /nfs/dbraw/zinc/58/81/98/545588198.db2.gz BKYVFZJGOCMKBB-CYBMUJFWSA-N -1 1 316.376 2.782 20 0 DFADMM CC(C)c1ncc2c(n1)CN(C(=O)c1ccc([O-])c(F)c1)CC2 ZINC000681049971 545588723 /nfs/dbraw/zinc/58/87/23/545588723.db2.gz QQUPMNGBPIHYPE-UHFFFAOYSA-N -1 1 315.348 2.643 20 0 DFADMM COc1cccc(O[C@H](C)CNC(=O)c2ccc([O-])c(F)c2)c1 ZINC000681050980 545588752 /nfs/dbraw/zinc/58/87/52/545588752.db2.gz WJLBSNBYSIWODU-LLVKDONJSA-N -1 1 319.332 2.737 20 0 DFADMM Cc1cccc2oc(CCNC(=O)c3ccc([O-])c(F)c3)nc21 ZINC000681052943 545589019 /nfs/dbraw/zinc/58/90/19/545589019.db2.gz ZFMSQLZUWCNYCR-UHFFFAOYSA-N -1 1 314.316 2.953 20 0 DFADMM CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1c(O)cccc1F ZINC000681236586 545615739 /nfs/dbraw/zinc/61/57/39/545615739.db2.gz CQXUTVOHPCAATI-CHWSQXEVSA-N -1 1 306.381 2.620 20 0 DFADMM COc1cc(C(=O)N[C@H](C)C[C@@H]2CCOC2)cc(Cl)c1[O-] ZINC000682362354 545829970 /nfs/dbraw/zinc/82/99/70/545829970.db2.gz ACYCJFXAMQUPKT-ZJUUUORDSA-N -1 1 313.781 2.599 20 0 DFADMM COc1cc(C(=O)N[C@@H](C)C[C@@H]2CCOC2)cc(Cl)c1[O-] ZINC000682362352 545830174 /nfs/dbraw/zinc/83/01/74/545830174.db2.gz ACYCJFXAMQUPKT-UWVGGRQHSA-N -1 1 313.781 2.599 20 0 DFADMM O=C(Nc1c([O-])cccc1F)c1cnn(CC(F)(F)F)c1 ZINC000682516878 545865893 /nfs/dbraw/zinc/86/58/93/545865893.db2.gz KEAOOYVZACYVGM-UHFFFAOYSA-N -1 1 303.215 2.542 20 0 DFADMM COc1nnc([N-]C(=O)c2cnc(-c3ccccc3)s2)s1 ZINC000682680104 545896413 /nfs/dbraw/zinc/89/64/13/545896413.db2.gz ANCRJUJTHHCCIL-UHFFFAOYSA-N -1 1 318.383 2.923 20 0 DFADMM O=C(N[C@H]1CCc2cc(O)ccc2C1)c1ccc([O-])cc1F ZINC000683509994 546047288 /nfs/dbraw/zinc/04/72/88/546047288.db2.gz YVGUHTBNXIWEKZ-LBPRGKRZSA-N -1 1 301.317 2.524 20 0 DFADMM CC1(C)CCCC[C@H]1C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000684127604 546156074 /nfs/dbraw/zinc/15/60/74/546156074.db2.gz MHLKEPYJCCFVGE-UONOGXRCSA-N -1 1 313.405 2.622 20 0 DFADMM COc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CC[C@@H](C)C2)c(F)c1 ZINC000684605343 546251682 /nfs/dbraw/zinc/25/16/82/546251682.db2.gz UBJLLYDSGUQVCB-ZJUUUORDSA-N -1 1 319.373 2.688 20 0 DFADMM COc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CC[C@H](C)C2)c(F)c1 ZINC000684605340 546252049 /nfs/dbraw/zinc/25/20/49/546252049.db2.gz UBJLLYDSGUQVCB-UWVGGRQHSA-N -1 1 319.373 2.688 20 0 DFADMM CCC[C@@H](CC)S(=O)(=O)[N-]c1ccn(Cc2ccncc2)n1 ZINC000684844435 546290321 /nfs/dbraw/zinc/29/03/21/546290321.db2.gz FGGWNOPCXPTYSZ-CQSZACIVSA-N -1 1 322.434 2.647 20 0 DFADMM Cn1nccc1[C@H]1CCCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000684990697 546314823 /nfs/dbraw/zinc/31/48/23/546314823.db2.gz JAEIFWAHMLMJMC-CQSZACIVSA-N -1 1 303.337 2.632 20 0 DFADMM C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2ccc([O-])c(F)c2)C1 ZINC000684994430 546315459 /nfs/dbraw/zinc/31/54/59/546315459.db2.gz UFJJPEGVYJESDH-OYNZBZHQSA-N -1 1 321.392 2.933 20 0 DFADMM CC(C)(CNC(=O)c1c(F)ccc([O-])c1F)[C@@H]1CCCCO1 ZINC000685447693 546351455 /nfs/dbraw/zinc/35/14/55/546351455.db2.gz UMTKCNNHJQSHHL-LBPRGKRZSA-N -1 1 313.344 2.996 20 0 DFADMM CCc1nnc(CSc2nc(C(F)F)cc(=O)[n-]2)s1 ZINC000685575148 546369890 /nfs/dbraw/zinc/36/98/90/546369890.db2.gz LUXTYHMWLNQCAR-UHFFFAOYSA-N -1 1 304.347 2.826 20 0 DFADMM CN(C)c1ccccc1CN(C)C(=O)c1ccc([O-])c(F)c1 ZINC000685863134 546400595 /nfs/dbraw/zinc/40/05/95/546400595.db2.gz QZDPKWPASBVOCI-UHFFFAOYSA-N -1 1 302.349 2.870 20 0 DFADMM Fc1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000737650486 598934746 /nfs/dbraw/zinc/93/47/46/598934746.db2.gz RPVHLPZJKYQZQY-UHFFFAOYSA-N -1 1 321.319 2.561 20 0 DFADMM Fc1ccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000737650486 598934748 /nfs/dbraw/zinc/93/47/48/598934748.db2.gz RPVHLPZJKYQZQY-UHFFFAOYSA-N -1 1 321.319 2.561 20 0 DFADMM CN(Cc1cccs1)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736828112 598934762 /nfs/dbraw/zinc/93/47/62/598934762.db2.gz HWKYDQWDQMRGCZ-UHFFFAOYSA-N -1 1 323.385 2.508 20 0 DFADMM CN(Cc1cccs1)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736828112 598934764 /nfs/dbraw/zinc/93/47/64/598934764.db2.gz HWKYDQWDQMRGCZ-UHFFFAOYSA-N -1 1 323.385 2.508 20 0 DFADMM O=C(Oc1cccc2ccccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738247643 598980043 /nfs/dbraw/zinc/98/00/43/598980043.db2.gz SOEHWFBLQWEPFQ-UHFFFAOYSA-N -1 1 317.308 2.634 20 0 DFADMM O=C(Oc1cccc2ccccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738247643 598980046 /nfs/dbraw/zinc/98/00/46/598980046.db2.gz SOEHWFBLQWEPFQ-UHFFFAOYSA-N -1 1 317.308 2.634 20 0 DFADMM COC(C)(C)C[C@@H](C)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821672195 599045449 /nfs/dbraw/zinc/04/54/49/599045449.db2.gz BXFHCKIVRXAKPZ-MRVPVSSYSA-N -1 1 310.789 2.531 20 0 DFADMM COC(C)(C)C[C@@H](C)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821672195 599045452 /nfs/dbraw/zinc/04/54/52/599045452.db2.gz BXFHCKIVRXAKPZ-MRVPVSSYSA-N -1 1 310.789 2.531 20 0 DFADMM Cn1c(-c2ccc(-c3nnn[n-]3)o2)nc2cccc(Cl)c21 ZINC000822590734 599156531 /nfs/dbraw/zinc/15/65/31/599156531.db2.gz OEUDUSDYSFTKCQ-UHFFFAOYSA-N -1 1 300.709 2.667 20 0 DFADMM Cn1c(-c2ccc(-c3nn[n-]n3)o2)nc2cccc(Cl)c21 ZINC000822590734 599156533 /nfs/dbraw/zinc/15/65/33/599156533.db2.gz OEUDUSDYSFTKCQ-UHFFFAOYSA-N -1 1 300.709 2.667 20 0 DFADMM Clc1nsc(N2CCC[C@H]2c2ccco2)c1-c1nnn[n-]1 ZINC000737584986 599169941 /nfs/dbraw/zinc/16/99/41/599169941.db2.gz VJVVQDKBJZIYQI-ZETCQYMHSA-N -1 1 322.781 2.911 20 0 DFADMM Clc1nsc(N2CCC[C@H]2c2ccco2)c1-c1nn[n-]n1 ZINC000737584986 599169944 /nfs/dbraw/zinc/16/99/44/599169944.db2.gz VJVVQDKBJZIYQI-ZETCQYMHSA-N -1 1 322.781 2.911 20 0 DFADMM Cc1nc2ccc(NCc3ccc(-c4nnn[n-]4)o3)cc2s1 ZINC000822461850 607308434 /nfs/dbraw/zinc/30/84/34/607308434.db2.gz ARYYOFOSKSAPGX-UHFFFAOYSA-N -1 1 312.358 2.990 20 0 DFADMM Cc1nc2ccc(NCc3ccc(-c4nn[n-]n4)o3)cc2s1 ZINC000822461850 607308435 /nfs/dbraw/zinc/30/84/35/607308435.db2.gz ARYYOFOSKSAPGX-UHFFFAOYSA-N -1 1 312.358 2.990 20 0 DFADMM FC(F)Oc1ccccc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000822737228 607310867 /nfs/dbraw/zinc/31/08/67/607310867.db2.gz RHYOUVAHRBQOPE-UHFFFAOYSA-N -1 1 307.260 2.673 20 0 DFADMM FC(F)Oc1ccccc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000822737228 607310868 /nfs/dbraw/zinc/31/08/68/607310868.db2.gz RHYOUVAHRBQOPE-UHFFFAOYSA-N -1 1 307.260 2.673 20 0 DFADMM CSCC[C@H](C)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC000821962843 607327525 /nfs/dbraw/zinc/32/75/25/607327525.db2.gz XRIABGPLBYYCNN-LURJTMIESA-N -1 1 318.859 2.554 20 0 DFADMM CSCC[C@H](C)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC000821962843 607327526 /nfs/dbraw/zinc/32/75/26/607327526.db2.gz XRIABGPLBYYCNN-LURJTMIESA-N -1 1 318.859 2.554 20 0 DFADMM CCn1c2ccccc2nc1CN1CCC[C@@H](CC(=O)[O-])C1 ZINC000820506787 598151990 /nfs/dbraw/zinc/15/19/90/598151990.db2.gz ORKSUEIVGSTTEK-ZDUSSCGKSA-N -1 1 301.390 2.743 20 0 DFADMM Clc1ccc(Oc2nccnc2-c2nn[n-]n2)c(Cl)c1 ZINC000737573352 598336439 /nfs/dbraw/zinc/33/64/39/598336439.db2.gz KJYHXIXCMNHFTP-UHFFFAOYSA-N -1 1 309.116 2.756 20 0 DFADMM COc1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000737094807 598571429 /nfs/dbraw/zinc/57/14/29/598571429.db2.gz AMHKTZBOKRUDSO-UHFFFAOYSA-N -1 1 316.752 2.536 20 0 DFADMM COc1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000737094807 598571430 /nfs/dbraw/zinc/57/14/30/598571430.db2.gz AMHKTZBOKRUDSO-UHFFFAOYSA-N -1 1 316.752 2.536 20 0 DFADMM Cc1cccc(CN(C)c2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000737394660 598576496 /nfs/dbraw/zinc/57/64/96/598576496.db2.gz SWPRAZSPLLBCCW-UHFFFAOYSA-N -1 1 314.780 2.860 20 0 DFADMM Cc1cccc(CN(C)c2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000737394660 598576497 /nfs/dbraw/zinc/57/64/97/598576497.db2.gz SWPRAZSPLLBCCW-UHFFFAOYSA-N -1 1 314.780 2.860 20 0 DFADMM Fc1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1F ZINC000737650226 598578138 /nfs/dbraw/zinc/57/81/38/598578138.db2.gz PQIUMDIOWKCQEB-UHFFFAOYSA-N -1 1 322.706 2.805 20 0 DFADMM Fc1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1F ZINC000737650226 598578139 /nfs/dbraw/zinc/57/81/39/598578139.db2.gz PQIUMDIOWKCQEB-UHFFFAOYSA-N -1 1 322.706 2.805 20 0 DFADMM COc1ccc([C@H](C)Nc2cccc(-c3nnn[n-]3)n2)cc1F ZINC000737077270 599397875 /nfs/dbraw/zinc/39/78/75/599397875.db2.gz VKQQGOLKXJVNMD-VIFPVBQESA-N -1 1 314.324 2.583 20 0 DFADMM COc1ccc([C@H](C)Nc2cccc(-c3nn[n-]n3)n2)cc1F ZINC000737077270 599397877 /nfs/dbraw/zinc/39/78/77/599397877.db2.gz VKQQGOLKXJVNMD-VIFPVBQESA-N -1 1 314.324 2.583 20 0 DFADMM CC(C)Oc1ccc(CCNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000735915270 599405956 /nfs/dbraw/zinc/40/59/56/599405956.db2.gz OBCUJBZUEIRICK-UHFFFAOYSA-N -1 1 324.388 2.704 20 0 DFADMM CC(C)Oc1ccc(CCNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000735915270 599405959 /nfs/dbraw/zinc/40/59/59/599405959.db2.gz OBCUJBZUEIRICK-UHFFFAOYSA-N -1 1 324.388 2.704 20 0 DFADMM CN(CCCCNc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000736793216 599416549 /nfs/dbraw/zinc/41/65/49/599416549.db2.gz UMKWEZFABXRPGC-UHFFFAOYSA-N -1 1 323.404 2.590 20 0 DFADMM CN(CCCCNc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000736793216 599416552 /nfs/dbraw/zinc/41/65/52/599416552.db2.gz UMKWEZFABXRPGC-UHFFFAOYSA-N -1 1 323.404 2.590 20 0 DFADMM COc1ccc2c(c1)CCC[C@H]2Nc1cccc(-c2nnn[n-]2)n1 ZINC000737115314 599419914 /nfs/dbraw/zinc/41/99/14/599419914.db2.gz NUFXDDQSBCNQBT-CQSZACIVSA-N -1 1 322.372 2.760 20 0 DFADMM COc1ccc2c(c1)CCC[C@H]2Nc1cccc(-c2nn[n-]n2)n1 ZINC000737115314 599419916 /nfs/dbraw/zinc/41/99/16/599419916.db2.gz NUFXDDQSBCNQBT-CQSZACIVSA-N -1 1 322.372 2.760 20 0 DFADMM CCCC[C@@H](COC)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000736436742 599442398 /nfs/dbraw/zinc/44/23/98/599442398.db2.gz GAYPWOVOADBVKO-ZETCQYMHSA-N -1 1 316.818 2.594 20 0 DFADMM CCCC[C@@H](COC)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000736436742 599442402 /nfs/dbraw/zinc/44/24/02/599442402.db2.gz GAYPWOVOADBVKO-ZETCQYMHSA-N -1 1 316.818 2.594 20 0 DFADMM CC[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1nccs1 ZINC000736368965 599530326 /nfs/dbraw/zinc/53/03/26/599530326.db2.gz JEEUFZNCNYHATP-MRVPVSSYSA-N -1 1 321.797 2.935 20 0 DFADMM CC[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1nccs1 ZINC000736368965 599530328 /nfs/dbraw/zinc/53/03/28/599530328.db2.gz JEEUFZNCNYHATP-MRVPVSSYSA-N -1 1 321.797 2.935 20 0 DFADMM CCSCc1cccc(Nc2nccnc2-c2nnn[n-]2)c1 ZINC000821461003 599578817 /nfs/dbraw/zinc/57/88/17/599578817.db2.gz ITGUYMMJZRCEHU-UHFFFAOYSA-N -1 1 313.390 2.653 20 0 DFADMM CCSCc1cccc(Nc2nccnc2-c2nn[n-]n2)c1 ZINC000821461003 599578819 /nfs/dbraw/zinc/57/88/19/599578819.db2.gz ITGUYMMJZRCEHU-UHFFFAOYSA-N -1 1 313.390 2.653 20 0 DFADMM CS[C@@H]1CCCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000821956869 607386461 /nfs/dbraw/zinc/38/64/61/607386461.db2.gz ZVHCZCLGLALBLK-SECBINFHSA-N -1 1 324.841 2.637 20 0 DFADMM CS[C@@H]1CCCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000821956869 607386464 /nfs/dbraw/zinc/38/64/64/607386464.db2.gz ZVHCZCLGLALBLK-SECBINFHSA-N -1 1 324.841 2.637 20 0 DFADMM CC(C)C[C@H]1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000820067071 599686415 /nfs/dbraw/zinc/68/64/15/599686415.db2.gz BWAURYOJKOONJZ-GFCCVEGCSA-N -1 1 323.404 2.682 20 0 DFADMM CC(C)C[C@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000820067071 599686416 /nfs/dbraw/zinc/68/64/16/599686416.db2.gz BWAURYOJKOONJZ-GFCCVEGCSA-N -1 1 323.404 2.682 20 0 DFADMM CC[C@H]1CCCN1CC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000736937887 599773034 /nfs/dbraw/zinc/77/30/34/599773034.db2.gz HLKSMTJIJGRNFZ-NSHDSACASA-N -1 1 310.419 2.876 20 0 DFADMM CC(C)CCN1Cc2cccc(NC(=O)CN(C)C(=O)[O-])c2C1 ZINC000736426689 599798210 /nfs/dbraw/zinc/79/82/10/599798210.db2.gz NHKUTITWRKLYMA-UHFFFAOYSA-N -1 1 319.405 2.597 20 0 DFADMM C[C@@H](c1nnc(-c2cccs2)o1)N1CCC[C@@H](C(=O)[O-])C1 ZINC000736729523 600137974 /nfs/dbraw/zinc/13/79/74/600137974.db2.gz ZUAAWAKZGZUBFV-VHSXEESVSA-N -1 1 307.375 2.656 20 0 DFADMM CCC[C@@](C)(NCC(=O)Nc1c(C)cc(C)cc1C)C(=O)[O-] ZINC000314528005 600154027 /nfs/dbraw/zinc/15/40/27/600154027.db2.gz RSRNCNIUCRXCFP-QGZVFWFLSA-N -1 1 306.406 2.783 20 0 DFADMM CC[C@H](C)CN(C)Cn1nc(C(=O)[O-])c(Br)c1C ZINC000736879986 600280566 /nfs/dbraw/zinc/28/05/66/600280566.db2.gz KEEJIQAILVBPKJ-QMMMGPOBSA-N -1 1 318.215 2.588 20 0 DFADMM O=C([O-])[C@@H]1CC12CCN(Cn1ccc(-c3cccs3)n1)CC2 ZINC000739536191 600281208 /nfs/dbraw/zinc/28/12/08/600281208.db2.gz GBWBZLFNCVJTKZ-LBPRGKRZSA-N -1 1 317.414 2.756 20 0 DFADMM CC(C)Oc1ncccc1CN[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736492577 600423836 /nfs/dbraw/zinc/42/38/36/600423836.db2.gz HGXQNUCBIQQWKJ-OAHLLOKOSA-N -1 1 318.348 2.923 20 0 DFADMM CC(C)Oc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cn1 ZINC000736494662 600424018 /nfs/dbraw/zinc/42/40/18/600424018.db2.gz PDIDZOTWHRSBES-INIZCTEOSA-N -1 1 318.348 2.923 20 0 DFADMM Cc1cccc(-c2n[nH]cc2CNCc2ccc(C(=O)[O-])o2)c1 ZINC000738681056 600524217 /nfs/dbraw/zinc/52/42/17/600524217.db2.gz QDKVKZRVPYUGFV-UHFFFAOYSA-N -1 1 311.341 2.966 20 0 DFADMM Cc1[nH]c(C(=O)CN(CC2CC2)CC2CC2)c(C)c1C(=O)[O-] ZINC000738153959 600630567 /nfs/dbraw/zinc/63/05/67/600630567.db2.gz PSSLGYFFCCUNBC-UHFFFAOYSA-N -1 1 304.390 2.634 20 0 DFADMM Cc1cc(CNc2nc(C)nc3sc(C(=O)[O-])c(C)c32)n[nH]1 ZINC000738232388 600638091 /nfs/dbraw/zinc/63/80/91/600638091.db2.gz FBRVPPBKVJNVJC-UHFFFAOYSA-N -1 1 317.374 2.650 20 0 DFADMM C[C@H](C(=O)OCc1ccc(C(=O)[O-])cc1)N1[C@H](C)CC[C@H]1C ZINC000736760240 600736579 /nfs/dbraw/zinc/73/65/79/600736579.db2.gz AVBCBIAVASKKAH-JHJVBQTASA-N -1 1 305.374 2.689 20 0 DFADMM C[C@H](C(=O)OCc1ccc(C(=O)[O-])cc1)N1CCCCCC1 ZINC000736227658 600737873 /nfs/dbraw/zinc/73/78/73/600737873.db2.gz XKWNGIWYDIADCV-CYBMUJFWSA-N -1 1 305.374 2.693 20 0 DFADMM C[C@@H](NCCCCC(=O)[O-])c1nc(Cc2ccccc2)no1 ZINC000827735234 600744073 /nfs/dbraw/zinc/74/40/73/600744073.db2.gz RSCFATZYBZFOLC-GFCCVEGCSA-N -1 1 303.362 2.566 20 0 DFADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCC(C)(C)C1 ZINC000832918685 600850225 /nfs/dbraw/zinc/85/02/25/600850225.db2.gz XYQSDLMXPJFORD-GFCCVEGCSA-N -1 1 304.390 2.752 20 0 DFADMM O=C([O-])[C@@H](c1ccc(Cl)cc1Cl)N1CCC(CO)CC1 ZINC000833172086 600989257 /nfs/dbraw/zinc/98/92/57/600989257.db2.gz RMHJQAALXGHDLZ-CYBMUJFWSA-N -1 1 318.200 2.823 20 0 DFADMM C[C@@](NCC(=O)Nc1ccc2ccccc2c1)(C(=O)[O-])C1CC1 ZINC000827727913 601028877 /nfs/dbraw/zinc/02/88/77/601028877.db2.gz NFXFLHBSPYANCJ-SFHVURJKSA-N -1 1 312.369 2.621 20 0 DFADMM C/C(=C\CN(C)Cc1cc(Br)cs1)C(=O)[O-] ZINC000214628659 601048867 /nfs/dbraw/zinc/04/88/67/601048867.db2.gz DLGHBWLXKHDBNY-FPYGCLRLSA-N -1 1 304.209 2.973 20 0 DFADMM Cc1ccc2nc(CNC(=O)Nc3cccc(C(=O)[O-])c3)[nH]c2c1 ZINC000832959480 601056355 /nfs/dbraw/zinc/05/63/55/601056355.db2.gz UQENSXUGLNOXTA-UHFFFAOYSA-N -1 1 324.340 2.891 20 0 DFADMM CCCCCC[C@@H](C)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000829357370 601096490 /nfs/dbraw/zinc/09/64/90/601096490.db2.gz OLJOMYUVSZKRMR-CABCVRRESA-N -1 1 312.454 2.600 20 0 DFADMM CSc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cn1 ZINC000821983063 607492715 /nfs/dbraw/zinc/49/27/15/607492715.db2.gz CZIOMDZDRPLFFE-UHFFFAOYSA-N -1 1 304.404 2.657 20 0 DFADMM COc1cc(CN(C)Cc2cc(C)c(C(=O)[O-])o2)ccc1O ZINC000831989515 601414781 /nfs/dbraw/zinc/41/47/81/601414781.db2.gz FUPWGCPOONCNAH-UHFFFAOYSA-N -1 1 305.330 2.632 20 0 DFADMM CC(C)[C@H](C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1)N1CCCC1 ZINC000827802574 601466223 /nfs/dbraw/zinc/46/62/23/601466223.db2.gz FZPQZXFXSMSNIP-BXUZGUMPSA-N -1 1 309.362 2.702 20 0 DFADMM CCc1oc(C(=O)[O-])cc1COC(=O)[C@H](C(C)C)N1CCCC1 ZINC000830378912 601466616 /nfs/dbraw/zinc/46/66/16/601466616.db2.gz BGZLNRHXWUBLIO-HNNXBMFYSA-N -1 1 323.389 2.704 20 0 DFADMM COC[C@@](C)(CC(=O)[O-])NCc1nc(-c2ccsc2)oc1C ZINC000831586304 601487233 /nfs/dbraw/zinc/48/72/33/601487233.db2.gz VBDGJCZTHWSTNE-OAHLLOKOSA-N -1 1 324.402 2.681 20 0 DFADMM COC[C@@](C)(CC(=O)[O-])NCc1csc(-c2ccc(C)o2)n1 ZINC000831584029 601490598 /nfs/dbraw/zinc/49/05/98/601490598.db2.gz CEASGLVBOZFKDQ-OAHLLOKOSA-N -1 1 324.402 2.681 20 0 DFADMM C[C@H]1CN(CC(=O)Nc2ccccc2C(C)(C)C)C[C@@H]1C(=O)[O-] ZINC000828440616 601502011 /nfs/dbraw/zinc/50/20/11/601502011.db2.gz NIRUHIOZQPTCSR-STQMWFEESA-N -1 1 318.417 2.575 20 0 DFADMM O=C([O-])CCC(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000833223861 601518262 /nfs/dbraw/zinc/51/82/62/601518262.db2.gz WYYDZHQLWNRENS-GFCCVEGCSA-N -1 1 321.764 2.745 20 0 DFADMM CN(C)Cc1ccc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1F ZINC000830620015 601612163 /nfs/dbraw/zinc/61/21/63/601612163.db2.gz NEPKEWYCRGGYFL-RYUDHWBXSA-N -1 1 322.380 2.717 20 0 DFADMM CN(C)Cc1ccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1F ZINC000830620013 601612564 /nfs/dbraw/zinc/61/25/64/601612564.db2.gz NEPKEWYCRGGYFL-NEPJUHHUSA-N -1 1 322.380 2.717 20 0 DFADMM Cn1cc([C@@H]2CCCN2Cc2ccc(C(=O)[O-])c(F)c2)cn1 ZINC000319584801 601628218 /nfs/dbraw/zinc/62/82/18/601628218.db2.gz ITGMBWYEPBPXKN-HNNXBMFYSA-N -1 1 303.337 2.595 20 0 DFADMM Cc1ccc(N(C)Cc2ccnc(-c3nnn[n-]3)c2)cc1Cl ZINC000826289461 607522295 /nfs/dbraw/zinc/52/22/95/607522295.db2.gz BAIKQHPACCIDIR-UHFFFAOYSA-N -1 1 314.780 2.860 20 0 DFADMM Cc1ccc(N(C)Cc2ccnc(-c3nn[n-]n3)c2)cc1Cl ZINC000826289461 607522297 /nfs/dbraw/zinc/52/22/97/607522297.db2.gz BAIKQHPACCIDIR-UHFFFAOYSA-N -1 1 314.780 2.860 20 0 DFADMM C[C@H](C(=O)OCc1ccc(C(=O)[O-])c(F)c1)N1[C@H](C)CC[C@@H]1C ZINC000828214741 601730777 /nfs/dbraw/zinc/73/07/77/601730777.db2.gz RNVSSFSTMSQLOE-GRYCIOLGSA-N -1 1 323.364 2.828 20 0 DFADMM CC[C@@H](C)c1ccc(NC(=O)CN[C@H](C(=O)[O-])C(C)C)cc1 ZINC000828765120 601822691 /nfs/dbraw/zinc/82/26/91/601822691.db2.gz XFOFZKXCWPBSIK-WBMJQRKESA-N -1 1 306.406 2.837 20 0 DFADMM CC(C)c1ccc(NC(=O)CN[C@@H](C(=O)[O-])C(C)(C)C)cc1 ZINC000827124585 601874039 /nfs/dbraw/zinc/87/40/39/601874039.db2.gz PYMFMDLYQYOZOV-HNNXBMFYSA-N -1 1 306.406 2.837 20 0 DFADMM C[C@]1(C(=O)[O-])CCN(Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000828028995 601914073 /nfs/dbraw/zinc/91/40/73/601914073.db2.gz LPOKYKBDUWOVGR-HNNXBMFYSA-N -1 1 321.764 2.687 20 0 DFADMM C[C@@H](c1nnc(-c2cccs2)o1)N1CC[C@](C)(C(=O)[O-])C1 ZINC000827966403 601917346 /nfs/dbraw/zinc/91/73/46/601917346.db2.gz PRSGPULBKFQSJP-XPTSAGLGSA-N -1 1 307.375 2.656 20 0 DFADMM O=C([O-])NC[C@H]1CCN(Cc2ccccc2Br)C1 ZINC000740645367 601961387 /nfs/dbraw/zinc/96/13/87/601961387.db2.gz FOOCOHYHTUCOHU-SNVBAGLBSA-N -1 1 313.195 2.539 20 0 DFADMM Cc1sc(NC(=O)CN2[C@H](C)CC[C@H]2C)c(C(=O)[O-])c1C ZINC000833033794 601973345 /nfs/dbraw/zinc/97/33/45/601973345.db2.gz HGIKOKGBYBVODX-RKDXNWHRSA-N -1 1 310.419 2.874 20 0 DFADMM O=C([O-])Nc1cc(NC(=O)[C@H]2CCCc3[nH]ncc32)ccc1F ZINC000833284600 602018361 /nfs/dbraw/zinc/01/83/61/602018361.db2.gz XAACSACZZUTJAB-VIFPVBQESA-N -1 1 318.308 2.697 20 0 DFADMM CCc1oc(C(=O)[O-])cc1CN1CC[C@H](Oc2ccccn2)C1 ZINC000830369967 602021552 /nfs/dbraw/zinc/02/15/52/602021552.db2.gz WHHUWTYAXLXFCQ-ZDUSSCGKSA-N -1 1 316.357 2.589 20 0 DFADMM CN(C(=O)[O-])c1ccc(NC(=O)[C@H]2CCCc3[nH]ncc32)cc1 ZINC000830507092 602023506 /nfs/dbraw/zinc/02/35/06/602023506.db2.gz CYNHPQLPNMTDFB-LBPRGKRZSA-N -1 1 314.345 2.583 20 0 DFADMM Fc1cc(F)c(SCc2ccnc(-c3nnn[n-]3)c2)c(F)c1 ZINC000826372992 607544997 /nfs/dbraw/zinc/54/49/97/607544997.db2.gz VBJGXSUFNVQRGL-UHFFFAOYSA-N -1 1 323.303 2.971 20 0 DFADMM Fc1cc(F)c(SCc2ccnc(-c3nn[n-]n3)c2)c(F)c1 ZINC000826372992 607544999 /nfs/dbraw/zinc/54/49/99/607544999.db2.gz VBJGXSUFNVQRGL-UHFFFAOYSA-N -1 1 323.303 2.971 20 0 DFADMM O=C([O-])c1csc(NS(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000833343364 602118409 /nfs/dbraw/zinc/11/84/09/602118409.db2.gz AUSZBOTZHCBYIF-UHFFFAOYSA-N -1 1 319.310 2.525 20 0 DFADMM c1cc2c(c(NCc3ccnc(-c4nnn[n-]4)c3)c1)CCCC2 ZINC000826517803 607546424 /nfs/dbraw/zinc/54/64/24/607546424.db2.gz PGUFIPFAIKNEEA-UHFFFAOYSA-N -1 1 306.373 2.753 20 0 DFADMM c1cc2c(c(NCc3ccnc(-c4nn[n-]n4)c3)c1)CCCC2 ZINC000826517803 607546426 /nfs/dbraw/zinc/54/64/26/607546426.db2.gz PGUFIPFAIKNEEA-UHFFFAOYSA-N -1 1 306.373 2.753 20 0 DFADMM C[C@H](CC(=O)[O-])C(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000827273817 602158523 /nfs/dbraw/zinc/15/85/23/602158523.db2.gz UOMHDGRHNFWTJY-SFYZADRCSA-N -1 1 309.753 2.504 20 0 DFADMM C[C@@H](OC(=O)[C@@H](C)CC(=O)[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC000827324366 602191735 /nfs/dbraw/zinc/19/17/35/602191735.db2.gz DIXRUQXMMWAFNZ-JGVFFNPUSA-N -1 1 310.737 2.931 20 0 DFADMM Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000832917073 602239325 /nfs/dbraw/zinc/23/93/25/602239325.db2.gz RMFWTYVZLOJEFB-LBPRGKRZSA-N -1 1 314.345 2.615 20 0 DFADMM CC[C@@]1(C)CCN([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000829050931 602241302 /nfs/dbraw/zinc/24/13/02/602241302.db2.gz XZRYUMFGWIAOHN-LRDDRELGSA-N -1 1 322.430 2.674 20 0 DFADMM Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])oc1C ZINC000833015392 602344598 /nfs/dbraw/zinc/34/45/98/602344598.db2.gz KGEAIJZXFIAWRT-AWEZNQCLSA-N -1 1 303.362 2.665 20 0 DFADMM Cc1nn(C)cc1[C@@H]1CCCN1Cc1cc(C(=O)[O-])oc1C ZINC000833015392 602344601 /nfs/dbraw/zinc/34/46/01/602344601.db2.gz KGEAIJZXFIAWRT-AWEZNQCLSA-N -1 1 303.362 2.665 20 0 DFADMM CCN1CCCC[C@H]1C(=O)Nc1ccc(OC)c(NC(=O)[O-])c1 ZINC000739453151 602452772 /nfs/dbraw/zinc/45/27/72/602452772.db2.gz CTJOCKAVOXUQGF-ZDUSSCGKSA-N -1 1 321.377 2.598 20 0 DFADMM CCN1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739455026 602471085 /nfs/dbraw/zinc/47/10/85/602471085.db2.gz NMINOTIWKNTKOS-HNNXBMFYSA-N -1 1 317.389 2.540 20 0 DFADMM COc1cc(CNCc2ccc(NC(=O)[O-])nc2)ccc1C ZINC000829124723 603544359 /nfs/dbraw/zinc/54/43/59/603544359.db2.gz LYGYAODTYVHORW-UHFFFAOYSA-N -1 1 301.346 2.778 20 0 DFADMM C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000825872952 603734236 /nfs/dbraw/zinc/73/42/36/603734236.db2.gz RBIPWWAZSPSWEY-VXGBXAGGSA-N -1 1 317.389 2.538 20 0 DFADMM CN(C(=O)[O-])[C@@H]1CCN(Cc2cc(-c3ccccc3)no2)C1 ZINC000827889223 603801547 /nfs/dbraw/zinc/80/15/47/603801547.db2.gz FWQROYUFIMDNDT-CYBMUJFWSA-N -1 1 301.346 2.526 20 0 DFADMM CN(Cc1cc(-c2cccs2)on1)C1CCN(C(=O)[O-])CC1 ZINC000828346148 603989213 /nfs/dbraw/zinc/98/92/13/603989213.db2.gz SALBEURLNLAFEL-UHFFFAOYSA-N -1 1 321.402 2.977 20 0 DFADMM CCOc1ccccc1OCCN1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000827464802 604042356 /nfs/dbraw/zinc/04/23/56/604042356.db2.gz CNJYXVSIASGFSY-CQSZACIVSA-N -1 1 322.405 2.538 20 0 DFADMM CCN(CC1CCN(Cc2cnc3ccccn23)CC1)C(=O)[O-] ZINC000827099865 604320347 /nfs/dbraw/zinc/32/03/47/604320347.db2.gz RPOXNXHWBJDVEQ-UHFFFAOYSA-N -1 1 316.405 2.546 20 0 DFADMM C[C@@H](NCc1ccc(C(=O)[O-])o1)c1ccc2c(c1)CCC(=O)N2 ZINC000827741329 604330220 /nfs/dbraw/zinc/33/02/20/604330220.db2.gz LQTYUKSQGCUWNC-SNVBAGLBSA-N -1 1 314.341 2.713 20 0 DFADMM C[C@@H]1CN(CC2CCN(C(=O)[O-])CC2)C[C@H](c2ccsc2)O1 ZINC000826048769 604352016 /nfs/dbraw/zinc/35/20/16/604352016.db2.gz 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DFADMM C[C@@H]1[C@H](c2ccccc2)CCN1c1cccc(-c2nnn[n-]2)n1 ZINC000820642757 606231918 /nfs/dbraw/zinc/23/19/18/606231918.db2.gz LHNURWQKCIOMCJ-TZMCWYRMSA-N -1 1 306.373 2.644 20 0 DFADMM C[C@@H]1[C@H](c2ccccc2)CCN1c1cccc(-c2nn[n-]n2)n1 ZINC000820642757 606231919 /nfs/dbraw/zinc/23/19/19/606231919.db2.gz LHNURWQKCIOMCJ-TZMCWYRMSA-N -1 1 306.373 2.644 20 0 DFADMM CC[C@H](CNc1cccc(-c2nnn[n-]2)n1)Oc1cccc(C)c1 ZINC000820908676 606427267 /nfs/dbraw/zinc/42/72/67/606427267.db2.gz ORZMYQCLPANFLQ-CYBMUJFWSA-N -1 1 324.388 2.840 20 0 DFADMM CC[C@H](CNc1cccc(-c2nn[n-]n2)n1)Oc1cccc(C)c1 ZINC000820908676 606427269 /nfs/dbraw/zinc/42/72/69/606427269.db2.gz ORZMYQCLPANFLQ-CYBMUJFWSA-N -1 1 324.388 2.840 20 0 DFADMM Cc1cnc([C@H](Nc2cccc(-c3nnn[n-]3)n2)C2CC2)s1 ZINC000822389011 606469244 /nfs/dbraw/zinc/46/92/44/606469244.db2.gz ISQDHCQTXMUBSU-GFCCVEGCSA-N -1 1 313.390 2.590 20 0 DFADMM Cc1cnc([C@H](Nc2cccc(-c3nn[n-]n3)n2)C2CC2)s1 ZINC000822389011 606469245 /nfs/dbraw/zinc/46/92/45/606469245.db2.gz 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/nfs/dbraw/zinc/48/73/31/606487331.db2.gz YHSLJRMYNNYGJI-UHFFFAOYSA-N -1 1 300.343 2.764 20 0 DFADMM C[C@H]1CC=CC[C@@H]1COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820678728 606488591 /nfs/dbraw/zinc/48/85/91/606488591.db2.gz XQOFSBBVYVXPEL-VHSXEESVSA-N -1 1 304.375 2.687 20 0 DFADMM C[C@H]1CC=CC[C@@H]1COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820678728 606488592 /nfs/dbraw/zinc/48/85/92/606488592.db2.gz XQOFSBBVYVXPEL-VHSXEESVSA-N -1 1 304.375 2.687 20 0 DFADMM CCC(CC)N(C(=O)c1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC000820898121 606510227 /nfs/dbraw/zinc/51/02/27/606510227.db2.gz UPCCPAUOHGLMMP-UHFFFAOYSA-N -1 1 305.407 2.721 20 0 DFADMM CCC(CC)N(C(=O)c1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC000820898121 606510229 /nfs/dbraw/zinc/51/02/29/606510229.db2.gz UPCCPAUOHGLMMP-UHFFFAOYSA-N -1 1 305.407 2.721 20 0 DFADMM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820037508 606550338 /nfs/dbraw/zinc/55/03/38/606550338.db2.gz CMGYMKNVQQIMMV-GHMZBOCLSA-N -1 1 319.434 2.873 20 0 DFADMM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820037508 606550339 /nfs/dbraw/zinc/55/03/39/606550339.db2.gz CMGYMKNVQQIMMV-GHMZBOCLSA-N -1 1 319.434 2.873 20 0 DFADMM C[C@H]1CCCC[C@@H]1CCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820698714 606562968 /nfs/dbraw/zinc/56/29/68/606562968.db2.gz WIYFALZWEGNXQX-WDEREUQCSA-N -1 1 319.434 2.874 20 0 DFADMM C[C@H]1CCCC[C@@H]1CCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820698714 606562970 /nfs/dbraw/zinc/56/29/70/606562970.db2.gz WIYFALZWEGNXQX-WDEREUQCSA-N -1 1 319.434 2.874 20 0 DFADMM C[C@@H](CCC(C)(C)C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820241576 606567448 /nfs/dbraw/zinc/56/74/48/606567448.db2.gz HLDITGFLFMQQBN-VIFPVBQESA-N -1 1 307.423 2.873 20 0 DFADMM C[C@@H](CCC(C)(C)C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820241576 606567449 /nfs/dbraw/zinc/56/74/49/606567449.db2.gz HLDITGFLFMQQBN-VIFPVBQESA-N -1 1 307.423 2.873 20 0 DFADMM C[C@H]1CCC[C@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820696878 606572319 /nfs/dbraw/zinc/57/23/19/606572319.db2.gz CQHCCZPBUVEHSX-UWVGGRQHSA-N -1 1 305.407 2.579 20 0 DFADMM C[C@H]1CCC[C@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820696878 606572321 /nfs/dbraw/zinc/57/23/21/606572321.db2.gz CQHCCZPBUVEHSX-UWVGGRQHSA-N -1 1 305.407 2.579 20 0 DFADMM C[C@@H]1CCC[C@H](C)CN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820696879 606572382 /nfs/dbraw/zinc/57/23/82/606572382.db2.gz CQHCCZPBUVEHSX-VHSXEESVSA-N -1 1 305.407 2.579 20 0 DFADMM C[C@@H]1CCC[C@H](C)CN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820696879 606572384 /nfs/dbraw/zinc/57/23/84/606572384.db2.gz CQHCCZPBUVEHSX-VHSXEESVSA-N -1 1 305.407 2.579 20 0 DFADMM C[C@H]1CCC[C@@H](CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC000820697429 606646623 /nfs/dbraw/zinc/64/66/23/606646623.db2.gz HEVJALZNCMBFIL-NWDGAFQWSA-N -1 1 315.377 2.521 20 0 DFADMM C[C@H]1CCC[C@@H](CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC000820697429 606646624 /nfs/dbraw/zinc/64/66/24/606646624.db2.gz HEVJALZNCMBFIL-NWDGAFQWSA-N -1 1 315.377 2.521 20 0 DFADMM CCCCCC[C@@H](C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821049220 606651831 /nfs/dbraw/zinc/65/18/31/606651831.db2.gz IZPUHHHMTKCMEE-GFCCVEGCSA-N -1 1 317.393 2.911 20 0 DFADMM CCCCCC[C@@H](C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821049220 606651832 /nfs/dbraw/zinc/65/18/32/606651832.db2.gz IZPUHHHMTKCMEE-GFCCVEGCSA-N -1 1 317.393 2.911 20 0 DFADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2NC[C@@H]1CCCS1 ZINC000823797432 606800464 /nfs/dbraw/zinc/80/04/64/606800464.db2.gz OOXLAHDHNYIUDY-JTQLQIEISA-N -1 1 312.402 2.722 20 0 DFADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2NC[C@@H]1CCCS1 ZINC000823797432 606800465 /nfs/dbraw/zinc/80/04/65/606800465.db2.gz OOXLAHDHNYIUDY-JTQLQIEISA-N -1 1 312.402 2.722 20 0 DFADMM CC(C)C[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820063584 606878690 /nfs/dbraw/zinc/87/86/90/606878690.db2.gz XAIJHMHBSJBEOR-NSHDSACASA-N -1 1 319.434 2.969 20 0 DFADMM CC(C)C[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820063584 606878691 /nfs/dbraw/zinc/87/86/91/606878691.db2.gz XAIJHMHBSJBEOR-NSHDSACASA-N -1 1 319.434 2.969 20 0 DFADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cccc2ccccc21 ZINC000823382654 607108965 /nfs/dbraw/zinc/10/89/65/607108965.db2.gz BZQLMJMQRRVJSI-UHFFFAOYSA-N -1 1 322.353 2.729 20 0 DFADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cccc2ccccc21 ZINC000823382654 607108967 /nfs/dbraw/zinc/10/89/67/607108967.db2.gz BZQLMJMQRRVJSI-UHFFFAOYSA-N -1 1 322.353 2.729 20 0 DFADMM FC1(F)CCC[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000822737258 607131375 /nfs/dbraw/zinc/13/13/75/607131375.db2.gz RXHZUVGNLDUWSK-ZETCQYMHSA-N -1 1 314.727 2.905 20 0 DFADMM FC1(F)CCC[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000822737258 607131377 /nfs/dbraw/zinc/13/13/77/607131377.db2.gz RXHZUVGNLDUWSK-ZETCQYMHSA-N -1 1 314.727 2.905 20 0 DFADMM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821014456 607164494 /nfs/dbraw/zinc/16/44/94/607164494.db2.gz HJMRLDKYFVDHAO-MNOVXSKESA-N -1 1 319.434 2.969 20 0 DFADMM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821014456 607164496 /nfs/dbraw/zinc/16/44/96/607164496.db2.gz HJMRLDKYFVDHAO-MNOVXSKESA-N -1 1 319.434 2.969 20 0 DFADMM Fc1ccc(OCCOc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826376251 607863828 /nfs/dbraw/zinc/86/38/28/607863828.db2.gz UZIDKSZTDAEFMI-UHFFFAOYSA-N -1 1 318.283 2.603 20 0 DFADMM Fc1ccc(OCCOc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826376251 607863829 /nfs/dbraw/zinc/86/38/29/607863829.db2.gz UZIDKSZTDAEFMI-UHFFFAOYSA-N -1 1 318.283 2.603 20 0 DFADMM Fc1cccc(OCc2cccnc2Cl)c1-c1nnn[n-]1 ZINC000826378063 607865692 /nfs/dbraw/zinc/86/56/92/607865692.db2.gz SUGVSDBIUZMSKQ-UHFFFAOYSA-N -1 1 305.700 2.633 20 0 DFADMM Fc1cccc(OCc2cccnc2Cl)c1-c1nn[n-]n1 ZINC000826378063 607865693 /nfs/dbraw/zinc/86/56/93/607865693.db2.gz SUGVSDBIUZMSKQ-UHFFFAOYSA-N -1 1 305.700 2.633 20 0 DFADMM CC(C)(C)c1cnc(COc2cccc(F)c2-c2nnn[n-]2)o1 ZINC000824135101 607866426 /nfs/dbraw/zinc/86/64/26/607866426.db2.gz ARJFVSSXSCARHQ-UHFFFAOYSA-N -1 1 317.324 2.870 20 0 DFADMM CC(C)(C)c1cnc(COc2cccc(F)c2-c2nn[n-]n2)o1 ZINC000824135101 607866427 /nfs/dbraw/zinc/86/64/27/607866427.db2.gz ARJFVSSXSCARHQ-UHFFFAOYSA-N -1 1 317.324 2.870 20 0 DFADMM Fc1cc(F)c(Sc2cccc(-c3nnn[n-]3)n2)c(F)c1 ZINC000826373099 607897691 /nfs/dbraw/zinc/89/76/91/607897691.db2.gz ZCKHCSXVJYRBIA-UHFFFAOYSA-N -1 1 309.276 2.830 20 0 DFADMM Fc1cc(F)c(Sc2cccc(-c3nn[n-]n3)n2)c(F)c1 ZINC000826373099 607897692 /nfs/dbraw/zinc/89/76/92/607897692.db2.gz ZCKHCSXVJYRBIA-UHFFFAOYSA-N -1 1 309.276 2.830 20 0 DFADMM C[C@H]1CCN(c2cccc(-c3nnn[n-]3)n2)[C@@H](c2ccco2)C1 ZINC000824962568 607900695 /nfs/dbraw/zinc/90/06/95/607900695.db2.gz VSDXZIDOYXDYSN-WCQYABFASA-N -1 1 310.361 2.832 20 0 DFADMM C[C@H]1CCN(c2cccc(-c3nn[n-]n3)n2)[C@@H](c2ccco2)C1 ZINC000824962568 607900696 /nfs/dbraw/zinc/90/06/96/607900696.db2.gz VSDXZIDOYXDYSN-WCQYABFASA-N -1 1 310.361 2.832 20 0 DFADMM CCC(CC)(CC)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825089916 607997389 /nfs/dbraw/zinc/99/73/89/607997389.db2.gz OZFHPTSVQIMNSQ-UHFFFAOYSA-N -1 1 303.366 2.727 20 0 DFADMM CCC[C@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])C(C)C ZINC000825225243 608170788 /nfs/dbraw/zinc/17/07/88/608170788.db2.gz PEZCSILKEBGLGP-NSHDSACASA-N -1 1 303.366 2.583 20 0 DFADMM Clc1nsc(N2CCC[C@@H]2C2CCC2)c1-c1nnn[n-]1 ZINC000826353822 608182457 /nfs/dbraw/zinc/18/24/57/608182457.db2.gz FJYWHSUIDBYFHH-MRVPVSSYSA-N -1 1 310.814 2.746 20 0 DFADMM Clc1nsc(N2CCC[C@@H]2C2CCC2)c1-c1nn[n-]n1 ZINC000826353822 608182458 /nfs/dbraw/zinc/18/24/58/608182458.db2.gz FJYWHSUIDBYFHH-MRVPVSSYSA-N -1 1 310.814 2.746 20 0 DFADMM Cc1ccncc1[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826315555 608334244 /nfs/dbraw/zinc/33/42/44/608334244.db2.gz MNQJKXMNZGRLCK-SECBINFHSA-N -1 1 315.358 2.550 20 0 DFADMM Cc1ccncc1[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826315555 608334246 /nfs/dbraw/zinc/33/42/46/608334246.db2.gz MNQJKXMNZGRLCK-SECBINFHSA-N -1 1 315.358 2.550 20 0 DFADMM CC(C)(C)[C@H]1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000824077989 608404276 /nfs/dbraw/zinc/40/42/76/608404276.db2.gz GVGXJWGKTDKKJE-NEPJUHHUSA-N -1 1 315.425 2.921 20 0 DFADMM CC(C)(C)[C@H]1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000824077989 608404278 /nfs/dbraw/zinc/40/42/78/608404278.db2.gz GVGXJWGKTDKKJE-NEPJUHHUSA-N -1 1 315.425 2.921 20 0 DFADMM C[C@@H](CC(C)(C)c1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824390741 608404469 /nfs/dbraw/zinc/40/44/69/608404469.db2.gz CRYJXEWYLJSIPG-LBPRGKRZSA-N -1 1 323.404 2.825 20 0 DFADMM C[C@@H](CC(C)(C)c1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824390741 608404470 /nfs/dbraw/zinc/40/44/70/608404470.db2.gz CRYJXEWYLJSIPG-LBPRGKRZSA-N -1 1 323.404 2.825 20 0 DFADMM Cc1ccc(-c2nn[n-]n2)nc1NCCc1cccc(Cl)c1 ZINC000826280665 608540890 /nfs/dbraw/zinc/54/08/90/608540890.db2.gz LISPPPSVPWUXMY-UHFFFAOYSA-N -1 1 314.780 2.878 20 0 DFADMM Cc1nn(C)c(C)c1Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000278318756 214087836 /nfs/dbraw/zinc/08/78/36/214087836.db2.gz YSERVSRTDPPLBE-UHFFFAOYSA-N -1 1 302.309 2.522 20 0 DFADMM O=C(N[C@@H]1CCC[C@H](CO)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000412929405 295661656 /nfs/dbraw/zinc/66/16/56/295661656.db2.gz FNAPAPQLHGLFFZ-GXSJLCMTSA-N -1 1 317.307 2.692 20 0 DFADMM O=C(c1cc(F)ccc1[O-])N1CCO[C@H](c2ccccc2)C1 ZINC000081936311 192343418 /nfs/dbraw/zinc/34/34/18/192343418.db2.gz QRKMVUQIQNWPLA-INIZCTEOSA-N -1 1 301.317 2.745 20 0 DFADMM CC[C@]1(C)CCCN(C(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC000294946463 529395477 /nfs/dbraw/zinc/39/54/77/529395477.db2.gz LUWWDPPJQJKYFN-OAHLLOKOSA-N -1 1 304.419 2.670 20 0 DFADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccccc1F ZINC000065834313 398347391 /nfs/dbraw/zinc/34/73/91/398347391.db2.gz YGMBJMRLFLBOOK-UHFFFAOYSA-N -1 1 322.361 2.840 20 0 DFADMM CCn1c(SCC(=O)c2ccc([O-])cc2)nnc1C1CC1 ZINC000008249339 398371129 /nfs/dbraw/zinc/37/11/29/398371129.db2.gz SRPUZQZNGXJTOB-UHFFFAOYSA-N -1 1 303.387 2.856 20 0 DFADMM O=C(NCc1cn2cc(Cl)ccc2n1)c1cc(F)ccc1[O-] ZINC000081935407 398375704 /nfs/dbraw/zinc/37/57/04/398375704.db2.gz FVTSFGUPDFWKOH-UHFFFAOYSA-N -1 1 319.723 2.762 20 0 DFADMM COc1ccc(C)cc1[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C ZINC000015331874 398394909 /nfs/dbraw/zinc/39/49/09/398394909.db2.gz AVBTVEREPHNDJI-JTQLQIEISA-N -1 1 324.402 2.648 20 0 DFADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)cc1Cl ZINC000016725885 398402109 /nfs/dbraw/zinc/40/21/09/398402109.db2.gz GVQAGTPKGJAICM-UHFFFAOYSA-N -1 1 324.789 2.548 20 0 DFADMM O=C([N-]c1nncs1)c1occc1COc1ccccc1 ZINC000021215877 398412537 /nfs/dbraw/zinc/41/25/37/398412537.db2.gz HVEMKENHYFVPEO-UHFFFAOYSA-N -1 1 301.327 2.962 20 0 DFADMM O=C(c1ccc(Cl)cc1[O-])N1CCOC[C@H]1CC(F)F ZINC000286695583 219115331 /nfs/dbraw/zinc/11/53/31/219115331.db2.gz JTTSLKPMYHAELO-SECBINFHSA-N -1 1 305.708 2.542 20 0 DFADMM Cc1ccc(F)c(C(=O)NCCc2n[n-]c(=S)n2C(C)C)c1 ZINC000067073644 398416013 /nfs/dbraw/zinc/41/60/13/398416013.db2.gz XQKSDFXZZOMKMF-UHFFFAOYSA-N -1 1 322.409 2.942 20 0 DFADMM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1ccc(Br)s1 ZINC000086269879 398419566 /nfs/dbraw/zinc/41/95/66/398419566.db2.gz BDRYIRLQPPIWGM-CBAPKCEASA-N -1 1 304.209 2.806 20 0 DFADMM Cc1noc(CCCNC(=O)c2cc3ccccc3cc2[O-])n1 ZINC000067178257 398421468 /nfs/dbraw/zinc/42/14/68/398421468.db2.gz XOZZHZZPHUHDEE-UHFFFAOYSA-N -1 1 311.341 2.599 20 0 DFADMM CCO[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)cc2[O-])[C@@H]1SC ZINC000592709611 398471837 /nfs/dbraw/zinc/47/18/37/398471837.db2.gz PLLTZIFRTCLLLV-RTXFEEFZSA-N -1 1 315.822 2.684 20 0 DFADMM CCOC(=O)c1ccc(CN2CCC(CCC(=O)[O-])CC2)o1 ZINC000596651660 398472227 /nfs/dbraw/zinc/47/22/27/398472227.db2.gz FNPUCZQHQOKGIF-UHFFFAOYSA-N -1 1 309.362 2.533 20 0 DFADMM COc1cc(CNC(=O)c2cc3ccccc3cc2[O-])ccn1 ZINC000029195964 398481243 /nfs/dbraw/zinc/48/12/43/398481243.db2.gz ZWBBHPLBOVSFME-UHFFFAOYSA-N -1 1 308.337 2.879 20 0 DFADMM C[C@@H]1CN(Cc2ccc(Br)o2)CC[C@H]1C(=O)[O-] ZINC000304386211 398503699 /nfs/dbraw/zinc/50/36/99/398503699.db2.gz LQESOGYZCNZLNI-PSASIEDQSA-N -1 1 302.168 2.585 20 0 DFADMM NC(=O)c1cc(-c2csc(-c3ccccc3O)n2)ccc1[O-] ZINC000068479937 398507561 /nfs/dbraw/zinc/50/75/61/398507561.db2.gz UANXKXJFZDRONP-UHFFFAOYSA-N -1 1 312.350 2.987 20 0 DFADMM CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)c2ccc([O-])c(F)c2)C1 ZINC000592942759 398510685 /nfs/dbraw/zinc/51/06/85/398510685.db2.gz RFWSIEKEJCOOEM-NEPJUHHUSA-N -1 1 323.364 2.772 20 0 DFADMM CC[C@@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)[C@@H](O)C(C)C ZINC000413988192 295755385 /nfs/dbraw/zinc/75/53/85/295755385.db2.gz XHBIAKKAROFYHB-YPMHNXCESA-N -1 1 315.797 2.580 20 0 DFADMM C[C@@H]1[C@@H](CO)CCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000414047169 295760820 /nfs/dbraw/zinc/76/08/20/295760820.db2.gz YIGZTIVYZRIYBA-NXEZZACHSA-N -1 1 317.307 2.644 20 0 DFADMM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000075082629 282547261 /nfs/dbraw/zinc/54/72/61/282547261.db2.gz WMPHEMUGEFCWJN-UHFFFAOYSA-N -1 1 307.346 2.870 20 0 DFADMM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000074927885 282545189 /nfs/dbraw/zinc/54/51/89/282545189.db2.gz SJRGNUAAJOKWQX-UHFFFAOYSA-N -1 1 305.355 2.779 20 0 DFADMM CCc1nn(C)cc1CNC(=O)c1ccc2ccccc2c1[O-] ZINC000091729060 398542125 /nfs/dbraw/zinc/54/21/25/398542125.db2.gz MAITYZLTBYOPLL-UHFFFAOYSA-N -1 1 309.369 2.771 20 0 DFADMM CCc1nn(C)cc1CNC(=O)c1cc2ccccc2cc1[O-] ZINC000091732856 398542428 /nfs/dbraw/zinc/54/24/28/398542428.db2.gz HKRHIPCLKBAJHP-UHFFFAOYSA-N -1 1 309.369 2.771 20 0 DFADMM CC(C)Cc1nc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cs1 ZINC000069118342 398550496 /nfs/dbraw/zinc/55/04/96/398550496.db2.gz GZNSTGOYUPBKQQ-UHFFFAOYSA-N -1 1 319.312 2.731 20 0 DFADMM COc1ccccc1CN(C)CCOc1cccc(C(=O)[O-])c1 ZINC000321318994 398552583 /nfs/dbraw/zinc/55/25/83/398552583.db2.gz NROOLRVDDGLQJK-UHFFFAOYSA-N -1 1 315.369 2.904 20 0 DFADMM Cc1cc(N2CC[C@@H](C(=O)[O-])[C@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000322736185 398559456 /nfs/dbraw/zinc/55/94/56/398559456.db2.gz XCQDJPMMVPUOBQ-ZYHUDNBSSA-N -1 1 315.329 2.751 20 0 DFADMM Cc1cccc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1 ZINC000080534131 192165796 /nfs/dbraw/zinc/16/57/96/192165796.db2.gz CRWIJLOPPPUNBM-UHFFFAOYSA-N -1 1 313.401 2.614 20 0 DFADMM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1sccc1Br ZINC000070836114 190919793 /nfs/dbraw/zinc/91/97/93/190919793.db2.gz VYDPCYXFMXQSRN-VXNVDRBHSA-N -1 1 324.265 2.978 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc(C)cc1C ZINC000080539660 192166364 /nfs/dbraw/zinc/16/63/64/192166364.db2.gz PMVSVYVLWCXAOG-UHFFFAOYSA-N -1 1 317.414 2.759 20 0 DFADMM CC[C@@H]1CCCN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)C1 ZINC000080547912 192167067 /nfs/dbraw/zinc/16/70/67/192167067.db2.gz YLSYRVICOIDFKJ-GFCCVEGCSA-N -1 1 305.422 2.638 20 0 DFADMM COC(C)(C)CS(=O)(=O)[N-]c1ccc(C)cc1SC ZINC000414393276 295796535 /nfs/dbraw/zinc/79/65/35/295796535.db2.gz HMEFJJMPAHLPIH-UHFFFAOYSA-N -1 1 303.449 2.884 20 0 DFADMM COC(=O)c1sc([N-]c2ccn(CC(F)F)n2)nc1Cl ZINC000092665771 398592095 /nfs/dbraw/zinc/59/20/95/398592095.db2.gz ZVVQRPYIMDSTPM-UHFFFAOYSA-N -1 1 322.724 2.788 20 0 DFADMM Cc1ccnn1-c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000070783532 398598976 /nfs/dbraw/zinc/59/89/76/398598976.db2.gz ZHZOOAZQCDAIPH-UHFFFAOYSA-N -1 1 313.382 2.982 20 0 DFADMM O=C(N[C@@H](CCCO)c1ccccc1)c1cc(F)ccc1[O-] ZINC000092757897 398599168 /nfs/dbraw/zinc/59/91/68/398599168.db2.gz MVCDVZKQPKFNRN-HNNXBMFYSA-N -1 1 303.333 2.775 20 0 DFADMM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1csc(-c2ccccn2)n1 ZINC000092925725 398608110 /nfs/dbraw/zinc/60/81/10/398608110.db2.gz PCIHVJKMFHKTGV-JQWIXIFHSA-N -1 1 303.387 2.500 20 0 DFADMM O=C(NC1CCC(C(F)(F)F)CC1)C(=O)c1ccc([O-])cc1 ZINC000287126250 219330697 /nfs/dbraw/zinc/33/06/97/219330697.db2.gz OVJKFBQOKZVGJZ-UHFFFAOYSA-N -1 1 315.291 2.812 20 0 DFADMM Cc1c(=O)[n-]c(SCC(=O)C2CC2)nc1-c1ccccc1 ZINC000163946283 186143480 /nfs/dbraw/zinc/14/34/80/186143480.db2.gz XXTJDXCMSRYGLV-UHFFFAOYSA-N -1 1 300.383 2.817 20 0 DFADMM CO[N-]C(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000287177232 219361230 /nfs/dbraw/zinc/36/12/30/219361230.db2.gz OULMXWXFEZIZTI-ZDUSSCGKSA-N -1 1 322.405 2.956 20 0 DFADMM COc1ccc(C(=O)Nc2ccccc2N(C)C(C)=O)c([O-])c1 ZINC000118261198 282749657 /nfs/dbraw/zinc/74/96/57/282749657.db2.gz UJDIROHYWMVTDA-UHFFFAOYSA-N -1 1 314.341 2.636 20 0 DFADMM Cn1[n-]c(CN2CC3(CCCCC3)[C@H]2c2ccccc2)nc1=O ZINC000459749464 299181631 /nfs/dbraw/zinc/18/16/31/299181631.db2.gz PCRVNMNCJWMSEH-MRXNPFEDSA-N -1 1 312.417 2.616 20 0 DFADMM CCCN(CC(=O)OC(C)(C)C)C(=O)c1ccc([O-])cc1F ZINC000120385007 282786110 /nfs/dbraw/zinc/78/61/10/282786110.db2.gz OOMRRJBTGXUVKY-UHFFFAOYSA-N -1 1 311.353 2.725 20 0 DFADMM Cc1cc(N2C[C@@H](C)[C@H](C(=O)[O-])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000391388220 398675934 /nfs/dbraw/zinc/67/59/34/398675934.db2.gz WIZKGJAXPHYHDW-NOZJJQNGSA-N -1 1 315.329 2.608 20 0 DFADMM Cc1oc(C(C)C)cc1C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000331815580 234154510 /nfs/dbraw/zinc/15/45/10/234154510.db2.gz LYSOWERIRNFQDE-LLVKDONJSA-N -1 1 319.361 2.820 20 0 DFADMM Cc1oc(C(C)C)cc1C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000331815597 234155204 /nfs/dbraw/zinc/15/52/04/234155204.db2.gz LYSOWERIRNFQDE-NSHDSACASA-N -1 1 319.361 2.820 20 0 DFADMM CN(CCc1cccs1)Cc1nc(=O)c2sccc2[n-]1 ZINC000072800689 191231436 /nfs/dbraw/zinc/23/14/36/191231436.db2.gz SPANELUGDAKCCJ-UHFFFAOYSA-N -1 1 305.428 2.721 20 0 DFADMM O=S(=O)([N-]c1cccc(-n2cccn2)c1)c1cccc(F)c1 ZINC000045774184 398684108 /nfs/dbraw/zinc/68/41/08/398684108.db2.gz HPGGGRLOVANDDX-UHFFFAOYSA-N -1 1 317.345 2.812 20 0 DFADMM COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC000590865870 398690562 /nfs/dbraw/zinc/69/05/62/398690562.db2.gz ATZLDEDDZLQSSY-HIFRSBDPSA-N -1 1 313.353 2.617 20 0 DFADMM COC(=O)CC(C)(C)CC(=O)Nc1ccc([O-])c(F)c1F ZINC000590884845 398695131 /nfs/dbraw/zinc/69/51/31/398695131.db2.gz ZCDOUYDHULNXDR-UHFFFAOYSA-N -1 1 301.289 2.588 20 0 DFADMM COc1cc(CN(C)C(=O)c2cc(F)ccc2[O-])ccc1O ZINC000125909574 282893161 /nfs/dbraw/zinc/89/31/61/282893161.db2.gz NIRBELWGRAWULJ-UHFFFAOYSA-N -1 1 305.305 2.518 20 0 DFADMM C[C@H](CC(=O)c1cccs1)NC(=O)c1ccc([O-])c(F)c1 ZINC000681059039 545591401 /nfs/dbraw/zinc/59/14/01/545591401.db2.gz WVMWYIRVOTUSNL-SECBINFHSA-N -1 1 307.346 2.984 20 0 DFADMM CSc1nc(C)c(CCC(=O)O[C@H]2CCC[C@@H](C)C2)c(=O)[n-]1 ZINC000073270500 191299328 /nfs/dbraw/zinc/29/93/28/191299328.db2.gz QVQSICCFHHXQMN-PWSUYJOCSA-N -1 1 324.446 2.855 20 0 DFADMM COc1ccc(OC)c(CNCc2ccccc2CC(=O)[O-])c1 ZINC000277014876 213239314 /nfs/dbraw/zinc/23/93/14/213239314.db2.gz NMDOJMHXVAERFL-UHFFFAOYSA-N -1 1 315.369 2.621 20 0 DFADMM COc1ccc(OC)c(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)c1 ZINC000276997097 213229847 /nfs/dbraw/zinc/22/98/47/213229847.db2.gz KPURDDZPWXWXIP-QGZVFWFLSA-N -1 1 315.369 2.928 20 0 DFADMM CC(C)Oc1cc(CNC(=O)c2c([O-])cccc2F)ccn1 ZINC000130597656 283054183 /nfs/dbraw/zinc/05/41/83/283054183.db2.gz VPNNWMPGVRKYQI-UHFFFAOYSA-N -1 1 304.321 2.644 20 0 DFADMM C[C@@H]1CN(C(=O)c2ccc([O-])c(F)c2)C[C@H]1C(=O)OC(C)(C)C ZINC000591122183 398729085 /nfs/dbraw/zinc/72/90/85/398729085.db2.gz SPQMPKNWJYMNDC-ZYHUDNBSSA-N -1 1 323.364 2.581 20 0 DFADMM O=S(=O)([N-]c1cccc(O)c1F)c1cc(F)c(F)cc1F ZINC000131518252 283088267 /nfs/dbraw/zinc/08/82/67/283088267.db2.gz IFZBYFFYRVNTGG-UHFFFAOYSA-N -1 1 321.251 2.749 20 0 DFADMM CCC[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccccn1 ZINC000591400541 398756535 /nfs/dbraw/zinc/75/65/35/398756535.db2.gz QRIJONWONOXRRK-OAHLLOKOSA-N -1 1 322.368 2.589 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCCC1CCCC1 ZINC000081524849 192282103 /nfs/dbraw/zinc/28/21/03/192282103.db2.gz POKFQGYQPAUOER-UHFFFAOYSA-N -1 1 309.435 2.913 20 0 DFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@H]1CCC[C@@H](C)C1 ZINC000081586363 192297604 /nfs/dbraw/zinc/29/76/04/192297604.db2.gz ZRRMMPRNJNVLSI-YPMHNXCESA-N -1 1 319.449 2.932 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@H]1CCC[C@@H](C)C1 ZINC000081586339 192297896 /nfs/dbraw/zinc/29/78/96/192297896.db2.gz QGJZFLGCPCNCES-KOLCDFICSA-N -1 1 309.435 2.769 20 0 DFADMM Cc1cncc(CNC(=O)c2ccc(Br)c([O-])c2)c1 ZINC000134350064 283183214 /nfs/dbraw/zinc/18/32/14/283183214.db2.gz QOAHCNKVPFPPHK-UHFFFAOYSA-N -1 1 321.174 2.788 20 0 DFADMM CC[C@@H]1CCCN(C(=O)c2c(C)[n-]c(=O)nc2SC)CC1 ZINC000081757534 192320567 /nfs/dbraw/zinc/32/05/67/192320567.db2.gz DRKWAPSNTAMABS-LLVKDONJSA-N -1 1 309.435 2.865 20 0 DFADMM CC(C)n1ccc(=O)nc1SCC(=O)c1ccc([O-])cc1 ZINC000591773063 398786944 /nfs/dbraw/zinc/78/69/44/398786944.db2.gz QPNHQCZZGWUOSJ-UHFFFAOYSA-N -1 1 304.371 2.505 20 0 DFADMM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000237060056 202139398 /nfs/dbraw/zinc/13/93/98/202139398.db2.gz RBKPHDPHVFBVHQ-SNVBAGLBSA-N -1 1 319.336 2.541 20 0 DFADMM COc1cc(C(=O)Nc2cccnc2N(C)C)cc(Cl)c1[O-] ZINC000134978997 283204912 /nfs/dbraw/zinc/20/49/12/283204912.db2.gz SNQYVGVNKJZNEP-UHFFFAOYSA-N -1 1 321.764 2.768 20 0 DFADMM COc1cc(C(=O)NCCCCSC)cc(Cl)c1[O-] ZINC000135126219 283209856 /nfs/dbraw/zinc/20/98/56/283209856.db2.gz QNLRAZQFDZQSFU-UHFFFAOYSA-N -1 1 303.811 2.927 20 0 DFADMM CCOC[C@@H]1CCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000135162377 283210382 /nfs/dbraw/zinc/21/03/82/283210382.db2.gz DCWACBXBCLLLKY-SNVBAGLBSA-N -1 1 313.781 2.553 20 0 DFADMM COCCC1(CNC(=O)c2cc(Cl)c([O-])c(OC)c2)CC1 ZINC000135187748 283210769 /nfs/dbraw/zinc/21/07/69/283210769.db2.gz DHJKKNUZOVPKPG-UHFFFAOYSA-N -1 1 313.781 2.601 20 0 DFADMM CC[C@@H]1CN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C[C@H](C)O1 ZINC000135095395 283208863 /nfs/dbraw/zinc/20/88/63/283208863.db2.gz SNCVBIBREFFDPJ-GXSJLCMTSA-N -1 1 313.781 2.694 20 0 DFADMM CCC[C@H](NC(=O)[C@H](C)CSc1ccccc1)c1nn[n-]n1 ZINC000136673342 283242791 /nfs/dbraw/zinc/24/27/91/283242791.db2.gz DTVFVEQAZNFIOB-YPMHNXCESA-N -1 1 319.434 2.586 20 0 DFADMM CCC[C@@H](NC(=O)CCSc1ccc(C)cc1)c1nn[n-]n1 ZINC000136709556 283243392 /nfs/dbraw/zinc/24/33/92/283243392.db2.gz WRRVCRWUCHSNGV-CYBMUJFWSA-N -1 1 319.434 2.648 20 0 DFADMM CCC[C@@H](NC(=O)CCCc1ccc(C)s1)c1nn[n-]n1 ZINC000136635322 283242277 /nfs/dbraw/zinc/24/22/77/283242277.db2.gz VCTKGJXPLUIWBA-GFCCVEGCSA-N -1 1 307.423 2.550 20 0 DFADMM O=C(N[C@@H]1CCN(CC(F)F)C1)c1cc2ccccc2cc1[O-] ZINC000416347165 295943772 /nfs/dbraw/zinc/94/37/72/295943772.db2.gz KMEYJCSLEDEFSG-CYBMUJFWSA-N -1 1 320.339 2.615 20 0 DFADMM C[C@H]1CCCC[C@@H]1OCc1nc2cc(F)c([O-])cc2c(=O)[nH]1 ZINC000416410571 295947531 /nfs/dbraw/zinc/94/75/31/295947531.db2.gz GDBCIECVQHDLIV-XPTSAGLGSA-N -1 1 306.337 2.863 20 0 DFADMM CCCC[C@@H](COC)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000150814668 283267902 /nfs/dbraw/zinc/26/79/02/283267902.db2.gz ONLXWMAPQZVMLF-ZDUSSCGKSA-N -1 1 311.403 2.916 20 0 DFADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)c(C)c1 ZINC000050530434 398810653 /nfs/dbraw/zinc/81/06/53/398810653.db2.gz UDZPBKJYCCVHKP-UHFFFAOYSA-N -1 1 319.382 2.891 20 0 DFADMM COCC[C@H](C)C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000416586279 295956495 /nfs/dbraw/zinc/95/64/95/295956495.db2.gz OMMRSIMQIMWCCS-JTQLQIEISA-N -1 1 315.366 2.523 20 0 DFADMM O=C([N-]c1nnc(C2CC2)s1)c1cc(-c2ccncc2)on1 ZINC000127127866 398818790 /nfs/dbraw/zinc/81/87/90/398818790.db2.gz XWVXDEHELKYUOR-UHFFFAOYSA-N -1 1 313.342 2.718 20 0 DFADMM COC(=O)CC1(NC(=O)c2c([O-])cccc2F)CCCCC1 ZINC000127850040 398823328 /nfs/dbraw/zinc/82/33/28/398823328.db2.gz JGBHLCIYFJKAMK-UHFFFAOYSA-N 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Cc1cc(C)c(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c(C)c1 ZINC000670383339 544035841 /nfs/dbraw/zinc/03/58/41/544035841.db2.gz FCPXGKLERYMVHT-ZDUSSCGKSA-N -1 1 315.373 2.720 20 0 DFADMM O=C(c1cncc([O-])c1)N1CCN(CC2CC2)c2ccccc21 ZINC000670801886 544051445 /nfs/dbraw/zinc/05/14/45/544051445.db2.gz YJQYRXWCWNFWKC-UHFFFAOYSA-N -1 1 309.369 2.664 20 0 DFADMM CCOc1cccc(CN[C@H](CC(=O)[O-])c2cccs2)n1 ZINC000671162647 544057743 /nfs/dbraw/zinc/05/77/43/544057743.db2.gz QIWAHJCATZINSM-GFCCVEGCSA-N -1 1 306.387 2.847 20 0 DFADMM CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000672890536 544159198 /nfs/dbraw/zinc/15/91/98/544159198.db2.gz UUBMKUAKFBKTPU-UHFFFAOYSA-N -1 1 317.279 2.974 20 0 DFADMM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000673059633 544166594 /nfs/dbraw/zinc/16/65/94/544166594.db2.gz LREJEXCHHYLPQX-KOLCDFICSA-N -1 1 315.291 2.764 20 0 DFADMM Cc1cccc(S(=O)(=O)[N-]C2(C(F)F)CCCC2)c1F ZINC000673586241 544185436 /nfs/dbraw/zinc/18/54/36/544185436.db2.gz 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O=C(Nc1nc2ccccn2n1)c1cc2ccccc2cc1[O-] ZINC000677804639 544543527 /nfs/dbraw/zinc/54/35/27/544543527.db2.gz LCKBBKGMIMQSNA-UHFFFAOYSA-N -1 1 304.309 2.840 20 0 DFADMM Cc1c(C(=O)Nc2ccc(F)cc2[O-])cnn1-c1ccccn1 ZINC000677589481 544509545 /nfs/dbraw/zinc/50/95/45/544509545.db2.gz MUUSUJKGTXQHDN-UHFFFAOYSA-N -1 1 312.304 2.673 20 0 DFADMM C[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])C[C@H](C(F)(F)F)O1 ZINC000678314885 544650246 /nfs/dbraw/zinc/65/02/46/544650246.db2.gz FCXTWHRTLJTAIH-WRWORJQWSA-N -1 1 323.698 2.837 20 0 DFADMM C[C@@H]1CCN(C(=O)c2cc(Br)ccc2[O-])C[C@H]1F ZINC000679257853 544816267 /nfs/dbraw/zinc/81/62/67/544816267.db2.gz SVDPWSCZKQLGIA-LDYMZIIASA-N -1 1 316.170 2.975 20 0 DFADMM C([N-]c1nnc([C@@H]2CCCO2)o1)c1nc2c(s1)CCCC2 ZINC000679120595 544787496 /nfs/dbraw/zinc/78/74/96/544787496.db2.gz UCPJENNNZAPZIB-JTQLQIEISA-N -1 1 306.391 2.869 20 0 DFADMM CC(=O)C(C)(C)CCC(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000679368677 544842669 /nfs/dbraw/zinc/84/26/69/544842669.db2.gz ALLOYPIWRDBHJU-UHFFFAOYSA-N 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Cn1cc([N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)c(C2CC2)n1 ZINC000518725238 429432742 /nfs/dbraw/zinc/43/27/42/429432742.db2.gz HGSNWDGCZBXSON-DZGCQCFKSA-N -1 1 317.414 2.595 20 0 DFADMM C[C@H](c1cccnc1)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000519645232 429476197 /nfs/dbraw/zinc/47/61/97/429476197.db2.gz PUMHMLFSCQKTMM-CYBMUJFWSA-N -1 1 300.358 2.738 20 0 DFADMM Cc1nn(-c2ccccc2)cc1CNC(=O)c1ncc(C)cc1[O-] ZINC000428030096 429484520 /nfs/dbraw/zinc/48/45/20/429484520.db2.gz CHUUAEJXMYLKFH-UHFFFAOYSA-N -1 1 322.368 2.520 20 0 DFADMM CSc1nc(C)c(CCC(=O)N2CC3(C2)CCCC3)c(=O)[n-]1 ZINC000366663681 429489379 /nfs/dbraw/zinc/48/93/79/429489379.db2.gz NOQCOBZQCCCSFS-UHFFFAOYSA-N -1 1 321.446 2.548 20 0 DFADMM CC[C@@H](c1ccccc1)N(CC(=O)OC)Cc1ncccc1[O-] ZINC000520557264 429519830 /nfs/dbraw/zinc/51/98/30/429519830.db2.gz GHJXMOPKXJXYLW-INIZCTEOSA-N -1 1 314.385 2.914 20 0 DFADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cc2ccccc2s1 ZINC000522855585 429596989 /nfs/dbraw/zinc/59/69/89/429596989.db2.gz KGDLBFLKLLJZBW-UHFFFAOYSA-N 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ZINC000656847989 431549004 /nfs/dbraw/zinc/54/90/04/431549004.db2.gz CMJACADYTRDGLE-OAHLLOKOSA-N -1 1 315.373 2.955 20 0 DFADMM CCCc1cc([N-]S(=O)(=O)Cc2ccc(Cl)cc2)n[nH]1 ZINC000650454893 431570997 /nfs/dbraw/zinc/57/09/97/431570997.db2.gz BNRHWCDSJUOYHK-UHFFFAOYSA-N -1 1 313.810 2.958 20 0 DFADMM Cc1ccc(NC(=O)[C@H](C)N2CC[C@H](C)[C@H](C(=O)[O-])C2)c(F)c1 ZINC000647368202 431568123 /nfs/dbraw/zinc/56/81/23/431568123.db2.gz FMIFWENPHLHFJM-RWMBFGLXSA-N -1 1 322.380 2.504 20 0 DFADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCOC2(CCC2)C1 ZINC000180853604 280181960 /nfs/dbraw/zinc/18/19/60/280181960.db2.gz PFVOZSBEGITNCS-UHFFFAOYSA-N -1 1 315.291 2.806 20 0 DFADMM Cc1cccc(-c2noc(CN3CCC(C)(C(=O)[O-])CC3)n2)c1 ZINC000647374927 431570048 /nfs/dbraw/zinc/57/00/48/431570048.db2.gz OJURDOJFURUPMZ-UHFFFAOYSA-N -1 1 315.373 2.732 20 0 DFADMM CCc1ccccc1NC(=O)[C@H](C)N1CCC(C)(C(=O)[O-])CC1 ZINC000647377100 431571923 /nfs/dbraw/zinc/57/19/23/431571923.db2.gz PFDYZTNZRZWZBX-ZDUSSCGKSA-N -1 1 318.417 2.763 20 0 DFADMM Cc1cccc(NC(=O)[C@H](C)N2CCC(C)(C(=O)[O-])CC2)c1C ZINC000647376921 431572622 /nfs/dbraw/zinc/57/26/22/431572622.db2.gz DOLQUGPUSULZNU-AWEZNQCLSA-N -1 1 318.417 2.817 20 0 DFADMM C[C@H](c1cn(-c2ccccc2)nn1)N1CCC(C)(C(=O)[O-])CC1 ZINC000647376697 431572787 /nfs/dbraw/zinc/57/27/87/431572787.db2.gz XOXCLDKARFUTFE-CYBMUJFWSA-N -1 1 314.389 2.515 20 0 DFADMM C[C@@H](c1cn(-c2ccccc2)nn1)N1CCC(C)(C(=O)[O-])CC1 ZINC000647376698 431573102 /nfs/dbraw/zinc/57/31/02/431573102.db2.gz XOXCLDKARFUTFE-ZDUSSCGKSA-N -1 1 314.389 2.515 20 0 DFADMM O=C(N[C@H](C1CC1)C1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000650469187 431577931 /nfs/dbraw/zinc/57/79/31/431577931.db2.gz ANVHQJKSWNEBOF-OAHLLOKOSA-N -1 1 309.793 2.981 20 0 DFADMM O=C([O-])c1cnc(N2CCC(c3ccn[nH]3)CC2)c(Cl)c1 ZINC000647449488 431587029 /nfs/dbraw/zinc/58/70/29/431587029.db2.gz GPZJFRZWHPCSEM-UHFFFAOYSA-N -1 1 306.753 2.540 20 0 DFADMM O=C(Nc1nnc(C2CCOCC2)s1)c1ccc([O-])c(F)c1 ZINC000647450785 431588341 /nfs/dbraw/zinc/58/83/41/431588341.db2.gz GCBMXQNKZZZOPJ-UHFFFAOYSA-N -1 1 323.349 2.529 20 0 DFADMM C[C@@]1(C[N-]S(=O)(=O)c2cc(F)ccc2Cl)CC1(F)F ZINC000657157398 431613786 /nfs/dbraw/zinc/61/37/86/431613786.db2.gz SWSDLCMEVWOXKF-JTQLQIEISA-N -1 1 313.728 2.803 20 0 DFADMM COC[C@@H](CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1)OC ZINC000657257855 431641061 /nfs/dbraw/zinc/64/10/61/431641061.db2.gz YEEHWFWAFVRYMS-ZDUSSCGKSA-N -1 1 320.414 2.911 20 0 DFADMM CC(C)O[C@]1(CSc2nc(C3CC3)cc(=O)[n-]2)CCOC1 ZINC000657258800 431641224 /nfs/dbraw/zinc/64/12/24/431641224.db2.gz SZUKZWDQPKOMHA-OAHLLOKOSA-N -1 1 310.419 2.736 20 0 DFADMM Cc1cnc(S[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)[n-]c1=O ZINC000657261402 431642500 /nfs/dbraw/zinc/64/25/00/431642500.db2.gz PIWCOFJLZCQHNC-WKSBVSIWSA-N -1 1 323.462 2.912 20 0 DFADMM CC(C)O[C@@]1(CSc2nc(C(F)F)cc(=O)[n-]2)CCOC1 ZINC000657260336 431643019 /nfs/dbraw/zinc/64/30/19/431643019.db2.gz VYSOPSUQGZPIDU-ZDUSSCGKSA-N -1 1 320.361 2.796 20 0 DFADMM Cc1cnc(SCc2nccn2CC(F)(F)F)[n-]c1=O ZINC000657261716 431643359 /nfs/dbraw/zinc/64/33/59/431643359.db2.gz AOQNMXFBUYWDBB-UHFFFAOYSA-N -1 1 304.297 2.542 20 0 DFADMM Cc1nc(-c2ccc(N[C@@H]3COC(C)(C)C3)nc2)[n-]c(=O)c1C ZINC000664145550 431671182 /nfs/dbraw/zinc/67/11/82/431671182.db2.gz VERREXACTKASPC-ZDUSSCGKSA-N -1 1 314.389 2.840 20 0 DFADMM CO[C@H]([C@H](C)NC(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CC1 ZINC000654150070 431674565 /nfs/dbraw/zinc/67/45/65/431674565.db2.gz XMFFBOZEDYMOJI-ISVAXAHUSA-N -1 1 317.307 2.954 20 0 DFADMM O=C([O-])c1cc(N2CCN(C/C=C\c3ccccc3)CC2)ccn1 ZINC000650765288 431689462 /nfs/dbraw/zinc/68/94/62/431689462.db2.gz IEOHARGWRKOLGD-DAXSKMNVSA-N -1 1 323.396 2.615 20 0 DFADMM Cn1nc2c(c1C(=O)Nc1ccc([O-])c(F)c1F)CCCC2 ZINC000654307854 431733965 /nfs/dbraw/zinc/73/39/65/431733965.db2.gz AJRFHPRVANXIRK-UHFFFAOYSA-N -1 1 307.300 2.535 20 0 DFADMM CC[C@@H]1[C@@H](CO)CCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000651066713 431799467 /nfs/dbraw/zinc/79/94/67/431799467.db2.gz UFDHBGADZFPGBU-ZYHUDNBSSA-N -1 1 317.307 2.644 20 0 DFADMM CC[C@H]1[C@@H](CO)CCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000651066712 431799802 /nfs/dbraw/zinc/79/98/02/431799802.db2.gz UFDHBGADZFPGBU-PWSUYJOCSA-N -1 1 317.307 2.644 20 0 DFADMM CC1(C)CN(C(=O)c2cc(F)ccc2[O-])C[C@H](C(F)(F)F)O1 ZINC000293705393 281219255 /nfs/dbraw/zinc/21/92/55/281219255.db2.gz LKBCCKVILFSNLK-LLVKDONJSA-N -1 1 321.270 2.713 20 0 DFADMM Cc1cnc(C(=O)N2C[C@@H](C)O[C@@H](c3ccsc3)C2)c([O-])c1 ZINC000332267895 281572462 /nfs/dbraw/zinc/57/24/62/281572462.db2.gz GATIEHRDSQQJNV-BXUZGUMPSA-N -1 1 318.398 2.759 20 0 DFADMM Cc1cnc(-c2nc(=O)c3c(CC(C)C)csc3[n-]2)nc1 ZINC000178838845 292870200 /nfs/dbraw/zinc/87/02/00/292870200.db2.gz KQNLSNFQJFNUPW-UHFFFAOYSA-N -1 1 300.387 2.949 20 0 DFADMM CC(C)c1ccc(C(=O)Nc2cnc(N(C)C)nc2)c([O-])c1 ZINC000436509437 297007663 /nfs/dbraw/zinc/00/76/63/297007663.db2.gz KYOFRWMPILNWPI-UHFFFAOYSA-N -1 1 300.362 2.624 20 0 DFADMM O=C(N[C@@H]1CCCC[C@H]1OC(F)F)c1cc(F)ccc1[O-] ZINC000436512151 297007875 /nfs/dbraw/zinc/00/78/75/297007875.db2.gz MCDPYTVCKMTVAJ-ZYHUDNBSSA-N -1 1 303.280 2.812 20 0 DFADMM COC(=O)c1ccc([O-])c(NC(=O)CCc2ccc(C)o2)c1 ZINC000436513322 297008184 /nfs/dbraw/zinc/00/81/84/297008184.db2.gz GFAZWOADLWCLEZ-UHFFFAOYSA-N -1 1 303.314 2.652 20 0 DFADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(C)c(OC)c2)c1 ZINC000436517176 297008376 /nfs/dbraw/zinc/00/83/76/297008376.db2.gz YKSIYXSSTPNNHO-UHFFFAOYSA-N -1 1 315.325 2.748 20 0 DFADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc(C)cc(F)c2)c1 ZINC000436515652 297008574 /nfs/dbraw/zinc/00/85/74/297008574.db2.gz SJQODVZFXIPSPM-UHFFFAOYSA-N -1 1 303.289 2.879 20 0 DFADMM CC[C@H](C)[C@@H](NC(=O)c1cc2ccccc2cc1[O-])C(=O)OC ZINC000436523858 297008723 /nfs/dbraw/zinc/00/87/23/297008723.db2.gz DATRNTBAPKWCGR-MEDUHNTESA-N -1 1 315.369 2.863 20 0 DFADMM Cn1ccnc1[C@H](NC(=O)c1cc(Cl)ccc1[O-])C1CC1 ZINC000436534158 297010310 /nfs/dbraw/zinc/01/03/10/297010310.db2.gz KBGJJIPBLIPYGT-CYBMUJFWSA-N -1 1 305.765 2.660 20 0 DFADMM O=C(N[C@H]1CCCN(c2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000436543963 297011253 /nfs/dbraw/zinc/01/12/53/297011253.db2.gz HSSNXKWZXKYYMP-AWEZNQCLSA-N -1 1 314.360 2.930 20 0 DFADMM C[C@@H](CNC(=O)c1cc(F)ccc1[O-])Oc1ccc(F)cc1 ZINC000436590820 297015890 /nfs/dbraw/zinc/01/58/90/297015890.db2.gz OBZVGUGSWUYDDL-JTQLQIEISA-N -1 1 307.296 2.868 20 0 DFADMM CC(C)c1nnc(CNC(=O)c2cc(Cl)ccc2[O-])s1 ZINC000436574336 297013607 /nfs/dbraw/zinc/01/36/07/297013607.db2.gz LFXLDRQIEAXLSK-UHFFFAOYSA-N -1 1 311.794 2.951 20 0 DFADMM COC[C@@H](Cc1ccccc1)NC(=O)c1cc(F)ccc1[O-] ZINC000436575008 297013663 /nfs/dbraw/zinc/01/36/63/297013663.db2.gz LPELLZNIWPRKCX-CQSZACIVSA-N -1 1 303.333 2.519 20 0 DFADMM CC(C)OC(=O)[C@@H](C)CNC(=O)c1cc2ccccc2cc1[O-] ZINC000436573121 297013706 /nfs/dbraw/zinc/01/37/06/297013706.db2.gz HEDIXKVRPGDFKJ-LBPRGKRZSA-N -1 1 315.369 2.863 20 0 DFADMM Cn1c(NC(=O)c2cc(F)ccc2[O-])nc2c1cccc2F ZINC000436583173 297014826 /nfs/dbraw/zinc/01/48/26/297014826.db2.gz JTBLNPYDLQAOQN-UHFFFAOYSA-N -1 1 303.268 2.809 20 0 DFADMM CC(C)(C)OC(=O)CCCNC(=O)c1ccc(Cl)cc1[O-] ZINC000436585652 297015440 /nfs/dbraw/zinc/01/54/40/297015440.db2.gz KLNIIQVNPWVEIO-UHFFFAOYSA-N -1 1 313.781 2.897 20 0 DFADMM O=C(NCc1ccc2cc[nH]c2n1)c1cc(Cl)ccc1[O-] ZINC000436597977 297016891 /nfs/dbraw/zinc/01/68/91/297016891.db2.gz XUKPUIHFHOSFRC-UHFFFAOYSA-N -1 1 301.733 2.852 20 0 DFADMM COCCc1cc(NC(=O)c2ccc(C(C)C)cc2[O-])n(C)n1 ZINC000436601461 297017203 /nfs/dbraw/zinc/01/72/03/297017203.db2.gz HYEUZQYYHUUXAY-UHFFFAOYSA-N -1 1 317.389 2.690 20 0 DFADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000436611230 297017984 /nfs/dbraw/zinc/01/79/84/297017984.db2.gz ZGPIJPVTKQWPFS-NEPJUHHUSA-N -1 1 309.793 2.934 20 0 DFADMM CC(C)CN1CCN(C(=O)c2cc(F)cc(Cl)c2[O-])CC1 ZINC000436626362 297019195 /nfs/dbraw/zinc/01/91/95/297019195.db2.gz IBKGAWVCVWVWKX-UHFFFAOYSA-N -1 1 314.788 2.599 20 0 DFADMM Cc1ccccc1C[C@@H](C)N(C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436637256 297019900 /nfs/dbraw/zinc/01/99/00/297019900.db2.gz UUDQHRGJFHYITF-CQSZACIVSA-N -1 1 311.381 2.973 20 0 DFADMM Cc1c(NC(=O)c2ccc(O)cc2[O-])cnn1-c1ccccc1 ZINC000436638095 297020160 /nfs/dbraw/zinc/02/01/60/297020160.db2.gz ZLXZUXBWBMIDIN-UHFFFAOYSA-N -1 1 309.325 2.844 20 0 DFADMM CCN(Cc1c(F)cccc1F)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436663682 297022465 /nfs/dbraw/zinc/02/24/65/297022465.db2.gz GMLGCSAGNILOPU-UHFFFAOYSA-N -1 1 319.307 2.902 20 0 DFADMM O=C(NCCCOC(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000436665906 297023088 /nfs/dbraw/zinc/02/30/88/297023088.db2.gz QPQHWENKJQESHZ-UHFFFAOYSA-N -1 1 313.222 2.770 20 0 DFADMM O=C(Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc(O)cc1[O-] ZINC000436668745 297023439 /nfs/dbraw/zinc/02/34/39/297023439.db2.gz FGJXVGANFIJPPG-AWEZNQCLSA-N -1 1 315.325 2.518 20 0 DFADMM O=C(Nc1cc2c(cc1Cl)OCCO2)c1ccc(O)cc1[O-] ZINC000436675094 297024081 /nfs/dbraw/zinc/02/40/81/297024081.db2.gz XVKGTDLUGKOKBV-UHFFFAOYSA-N -1 1 321.716 2.775 20 0 DFADMM Cc1cnc([C@H](NC(=O)C(=O)c2ccc([O-])cc2)C2CC2)s1 ZINC000436700553 297026400 /nfs/dbraw/zinc/02/64/00/297026400.db2.gz WGDIODJEHMHISE-CYBMUJFWSA-N -1 1 316.382 2.607 20 0 DFADMM CCO[C@H]1C[C@H](NC(=O)C(=O)c2ccc([O-])cc2)C1(CC)CC ZINC000436708127 297026617 /nfs/dbraw/zinc/02/66/17/297026617.db2.gz ZZNIEAATIBVEJX-GJZGRUSLSA-N -1 1 319.401 2.675 20 0 DFADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccc2c(c1)OCO2 ZINC000436756788 297032038 /nfs/dbraw/zinc/03/20/38/297032038.db2.gz QDWYFNJWMMUPMD-SECBINFHSA-N -1 1 303.289 2.751 20 0 DFADMM Cc1cc2cc(CNC(=O)C(=O)c3ccc([O-])cc3)ccc2[nH]1 ZINC000436714761 297027915 /nfs/dbraw/zinc/02/79/15/297027915.db2.gz UYKVGCWWMDFGLV-UHFFFAOYSA-N -1 1 308.337 2.681 20 0 DFADMM CN(CCNC(=O)c1ccc(Cl)cc1[O-])c1ccccc1 ZINC000436762792 297032215 /nfs/dbraw/zinc/03/22/15/297032215.db2.gz HHJMWHLRHQHHEU-UHFFFAOYSA-N -1 1 304.777 2.912 20 0 DFADMM COC(=O)COc1ccc(NC(=O)c2ccccc2[O-])c(C)c1 ZINC000436725588 297028857 /nfs/dbraw/zinc/02/88/57/297028857.db2.gz XZUKPGMJOMGBHF-UHFFFAOYSA-N -1 1 315.325 2.505 20 0 DFADMM CC(C)[C@@H]1CN(C(=O)c2cc3c(cc2O)CCCC3)CC[N@H+]1C ZINC000436727797 297028931 /nfs/dbraw/zinc/02/89/31/297028931.db2.gz CNEJJSGBTSULHX-KRWDZBQOSA-N -1 1 316.445 2.683 20 0 DFADMM O=C(N[C@@H]1CCCCC[C@H]1O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436737442 297029839 /nfs/dbraw/zinc/02/98/39/297029839.db2.gz JQDFCYRRMHYGIK-VXGBXAGGSA-N -1 1 317.307 2.834 20 0 DFADMM C[C@@H]1C[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2[O-])CCO1 ZINC000436767579 297032866 /nfs/dbraw/zinc/03/28/66/297032866.db2.gz CHGGTIOIVPQIBF-ZJUUUORDSA-N -1 1 317.307 2.956 20 0 DFADMM CO[C@H]1CCC[C@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436767134 297033057 /nfs/dbraw/zinc/03/30/57/297033057.db2.gz FMBZNLKYUDHVRB-ZANVPECISA-N -1 1 317.307 2.956 20 0 DFADMM CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1c(O)cccc1F ZINC000436817086 297036783 /nfs/dbraw/zinc/03/67/83/297036783.db2.gz QQHOXSRZXNYDRS-UHFFFAOYSA-N -1 1 305.353 2.824 20 0 DFADMM CO[C@H](CCNC(=O)c1ccc(Cl)cc1[O-])C(F)(F)F ZINC000436820996 297037226 /nfs/dbraw/zinc/03/72/26/297037226.db2.gz NJTODUDIFGAFIS-SNVBAGLBSA-N -1 1 311.687 2.743 20 0 DFADMM O=C(NCCOc1ccc(F)cc1)c1ccc(Cl)cc1[O-] ZINC000436836838 297038970 /nfs/dbraw/zinc/03/89/70/297038970.db2.gz FKHZKUHBHUZRNC-UHFFFAOYSA-N -1 1 309.724 2.994 20 0 DFADMM COc1cc(C(=O)N2CC[C@H](C)[C@@H](OC)C2)cc(Cl)c1[O-] ZINC000436842175 297039341 /nfs/dbraw/zinc/03/93/41/297039341.db2.gz VYWGGLMHIIFMLV-ZANVPECISA-N -1 1 313.781 2.551 20 0 DFADMM O=C(Nc1ncc(-c2cccnc2)s1)c1ccc(O)cc1[O-] ZINC000436841115 297039425 /nfs/dbraw/zinc/03/94/25/297039425.db2.gz USCAKVVKSNXXGN-UHFFFAOYSA-N -1 1 313.338 2.869 20 0 DFADMM Cc1nn(C)c2nc(C(=O)Nc3ccc([O-])c(Cl)c3)ccc12 ZINC000436860390 297040349 /nfs/dbraw/zinc/04/03/49/297040349.db2.gz WTYZMYVPCJPWNA-UHFFFAOYSA-N -1 1 316.748 2.888 20 0 DFADMM COC(=O)[C@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])[C@H]1C ZINC000436863107 297041042 /nfs/dbraw/zinc/04/10/42/297041042.db2.gz RXVCMOWDNZBIOP-FZMZJTMJSA-N -1 1 313.353 2.569 20 0 DFADMM CCOc1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1OC ZINC000436879577 297041813 /nfs/dbraw/zinc/04/18/13/297041813.db2.gz GJHJCDAZGKYLOW-UHFFFAOYSA-N -1 1 315.325 2.621 20 0 DFADMM Cc1noc([C@@H]2CCN(C(=O)c3ccc4ccccc4c3[O-])C2)n1 ZINC000436885990 297042145 /nfs/dbraw/zinc/04/21/45/297042145.db2.gz MEBPKYOLXRLWGW-CYBMUJFWSA-N -1 1 323.352 2.867 20 0 DFADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)[C@@H]1C[C@@H]1C1CC1 ZINC000436914642 297044424 /nfs/dbraw/zinc/04/44/24/297044424.db2.gz LYRYUHDIVRBEFP-NXEZZACHSA-N -1 1 318.764 2.815 20 0 DFADMM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)[C@@H]1C[C@@H]1C1CC1 ZINC000436914642 297044425 /nfs/dbraw/zinc/04/44/25/297044425.db2.gz LYRYUHDIVRBEFP-NXEZZACHSA-N -1 1 318.764 2.815 20 0 DFADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000436914476 297044506 /nfs/dbraw/zinc/04/45/06/297044506.db2.gz JNAGLQHMLBKDJA-GDGBQDQQSA-N -1 1 318.764 2.815 20 0 DFADMM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000436914476 297044507 /nfs/dbraw/zinc/04/45/07/297044507.db2.gz JNAGLQHMLBKDJA-GDGBQDQQSA-N -1 1 318.764 2.815 20 0 DFADMM O=C(Nc1n[nH]c(-c2c(F)cccc2F)n1)c1ccccc1[O-] ZINC000436922079 297044834 /nfs/dbraw/zinc/04/48/34/297044834.db2.gz WEXSCWQPJCTIIB-UHFFFAOYSA-N -1 1 316.267 2.708 20 0 DFADMM CO[C@H](C)CCC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436918582 297044866 /nfs/dbraw/zinc/04/48/66/297044866.db2.gz JBOWNBONARLYSK-MRVPVSSYSA-N -1 1 324.768 2.584 20 0 DFADMM CO[C@H](C)CCC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436918582 297044867 /nfs/dbraw/zinc/04/48/67/297044867.db2.gz JBOWNBONARLYSK-MRVPVSSYSA-N -1 1 324.768 2.584 20 0 DFADMM Cc1ccc(CC[C@@H](C)NC(=O)C(=O)c2ccc([O-])cc2)o1 ZINC000436921979 297044900 /nfs/dbraw/zinc/04/49/00/297044900.db2.gz LMHNPRNIAAHKOB-LLVKDONJSA-N -1 1 301.342 2.614 20 0 DFADMM CSC1(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)CC1 ZINC000436922248 297044988 /nfs/dbraw/zinc/04/49/88/297044988.db2.gz ZPWZAAMFPRNJQD-UHFFFAOYSA-N -1 1 324.793 2.665 20 0 DFADMM CSC1(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)CC1 ZINC000436922248 297044989 /nfs/dbraw/zinc/04/49/89/297044989.db2.gz ZPWZAAMFPRNJQD-UHFFFAOYSA-N -1 1 324.793 2.665 20 0 DFADMM C[C@@]1(F)CCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000436960260 297048235 /nfs/dbraw/zinc/04/82/35/297048235.db2.gz GLQNXJZHLWGBBV-GFCCVEGCSA-N -1 1 302.143 2.729 20 0 DFADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1ccc([S@](C)=O)cc1 ZINC000436986434 297050174 /nfs/dbraw/zinc/05/01/74/297050174.db2.gz FYDKGERYAVWRFY-STFLBKPXSA-N -1 1 321.373 2.760 20 0 DFADMM Cc1ccc(C2CCN(C(=O)C(=O)c3ccc([O-])cc3)CC2)cn1 ZINC000436994086 297051117 /nfs/dbraw/zinc/05/11/17/297051117.db2.gz ANHYKSSOHDJLCR-UHFFFAOYSA-N -1 1 324.380 2.685 20 0 DFADMM NC(=O)c1cc(-c2csc(CC(F)(F)F)n2)ccc1[O-] ZINC000436991184 297051245 /nfs/dbraw/zinc/05/12/45/297051245.db2.gz ULZOEHAOZMLNPU-UHFFFAOYSA-N -1 1 302.277 2.719 20 0 DFADMM CCc1cnc(CNC(=O)c2cc(Cl)c([O-])c(OC)c2)o1 ZINC000436991296 297051346 /nfs/dbraw/zinc/05/13/46/297051346.db2.gz RGJCRYHWEVQOLB-UHFFFAOYSA-N -1 1 310.737 2.535 20 0 DFADMM CN(C[C@H](O)Cc1ccccc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000437002290 297052166 /nfs/dbraw/zinc/05/21/66/297052166.db2.gz GUWKSUFKIMESPM-CQSZACIVSA-N -1 1 319.788 2.721 20 0 DFADMM O=C(c1ccc([O-])cc1F)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000437004307 297052211 /nfs/dbraw/zinc/05/22/11/297052211.db2.gz WORIBSPFWNHSPD-CJNGLKHVSA-N -1 1 319.307 2.619 20 0 DFADMM COc1cccc(C2=CCN(C(=O)C(=O)c3ccc([O-])cc3)C2)c1 ZINC000437003345 297052376 /nfs/dbraw/zinc/05/23/76/297052376.db2.gz SRPOZMCQYCACSC-UHFFFAOYSA-N -1 1 323.348 2.509 20 0 DFADMM COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)c1ncccc1[O-] ZINC000494826289 299884353 /nfs/dbraw/zinc/88/43/53/299884353.db2.gz XZRCJLQICCKVFU-OAHLLOKOSA-N -1 1 312.369 2.945 20 0 DFADMM CNC(=O)c1cc(NC(=O)c2ccccc2[O-])ccc1Cl ZINC000154227550 295294889 /nfs/dbraw/zinc/29/48/89/295294889.db2.gz YXOVKCVUCKEOPV-UHFFFAOYSA-N -1 1 304.733 2.658 20 0 DFADMM COc1cc(CCNC(=O)c2ccc([O-])cc2F)ccc1C ZINC000154921795 295308976 /nfs/dbraw/zinc/30/89/76/295308976.db2.gz PUUTZQJOMLIJJQ-UHFFFAOYSA-N -1 1 303.333 2.821 20 0 DFADMM O=C(NC[C@H]1CCCS1)c1cc(Br)ccc1[O-] ZINC000155071378 295312166 /nfs/dbraw/zinc/31/21/66/295312166.db2.gz PQHVGGUMGXGYPU-SECBINFHSA-N -1 1 316.220 2.780 20 0 DFADMM O=C(Nc1cc2c(cc1F)NC(=O)CC2)c1cc(F)ccc1[O-] ZINC000155115767 295313359 /nfs/dbraw/zinc/31/33/59/295313359.db2.gz NHDKAUCLQHFQKP-UHFFFAOYSA-N -1 1 318.279 2.807 20 0 DFADMM O=S(=O)([N-]CCC1=CCCC1)c1cc(F)c(F)cc1F ZINC000159085272 295371759 /nfs/dbraw/zinc/37/17/59/295371759.db2.gz RNVDZNROQQGSDR-UHFFFAOYSA-N -1 1 305.321 2.883 20 0 DFADMM O=C(c1cc(Cl)ccc1[O-])N1CCC([C@H]2CCOC2)CC1 ZINC000363744180 295439418 /nfs/dbraw/zinc/43/94/18/295439418.db2.gz DXYYKFJUGNKUFF-LBPRGKRZSA-N -1 1 309.793 2.934 20 0 DFADMM CCc1n[nH]c([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1C ZINC000438243441 297085285 /nfs/dbraw/zinc/08/52/85/297085285.db2.gz KRIGSTXFAHIVFM-UHFFFAOYSA-N -1 1 317.773 2.874 20 0 DFADMM CCOc1ccccc1C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000439015091 297111985 /nfs/dbraw/zinc/11/19/85/297111985.db2.gz NCPJSTIJHDGXRB-UHFFFAOYSA-N -1 1 309.329 2.518 20 0 DFADMM CC(C)=CCN(Cc1nc(=O)n(C)[n-]1)Cc1ccc(Cl)cc1 ZINC000439485046 297128672 /nfs/dbraw/zinc/12/86/72/297128672.db2.gz HQXCTSQMCLAMLY-UHFFFAOYSA-N -1 1 320.824 2.730 20 0 DFADMM COCc1nc(=NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)s[n-]1 ZINC000439560730 297132056 /nfs/dbraw/zinc/13/20/56/297132056.db2.gz KGJKFQHVBWYYFJ-RKDXNWHRSA-N -1 1 309.357 2.887 20 0 DFADMM CCSCC[C@@H](C)NC(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000440695340 297162149 /nfs/dbraw/zinc/16/21/49/297162149.db2.gz UEYOSEVDCAGVBD-LLVKDONJSA-N -1 1 319.430 2.905 20 0 DFADMM CCSCC[C@@H](C)NC(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000440695340 297162150 /nfs/dbraw/zinc/16/21/50/297162150.db2.gz UEYOSEVDCAGVBD-LLVKDONJSA-N -1 1 319.430 2.905 20 0 DFADMM CCn1ncc2cc(C(=O)Nc3ccc(F)cc3[O-])c(C)nc21 ZINC000442568895 297196943 /nfs/dbraw/zinc/19/69/43/297196943.db2.gz PMUICVAMRCDJMJ-UHFFFAOYSA-N -1 1 314.320 2.857 20 0 DFADMM COc1cc(C(=O)NCc2ccc(C)nc2)cc(Cl)c1[O-] ZINC000442657691 297199464 /nfs/dbraw/zinc/19/94/64/297199464.db2.gz YIWXCYCQFXNSFI-UHFFFAOYSA-N -1 1 306.749 2.688 20 0 DFADMM CC[C@H](C[C@H](C)CO)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442665622 297199791 /nfs/dbraw/zinc/19/97/91/297199791.db2.gz NGUBFIJABWBJAP-GXSJLCMTSA-N -1 1 315.797 2.581 20 0 DFADMM COCCC(C)(C)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442682651 297201183 /nfs/dbraw/zinc/20/11/83/297201183.db2.gz UBTKBNMHEVNDOE-UHFFFAOYSA-N -1 1 301.770 2.599 20 0 DFADMM COc1cc(C(=O)N[C@@H](C)c2ncc(C)o2)cc(Cl)c1[O-] ZINC000442808105 297207873 /nfs/dbraw/zinc/20/78/73/297207873.db2.gz GMLRCCRSSUGMQE-QMMMGPOBSA-N -1 1 310.737 2.842 20 0 DFADMM Cc1cc2cc[nH]c2cc1NC(=O)c1cnc2n(C)[n-]cc-2c1=O ZINC000444444513 297236832 /nfs/dbraw/zinc/23/68/32/297236832.db2.gz FGNLJBIYJCIRQB-UHFFFAOYSA-N -1 1 321.340 2.716 20 0 DFADMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cccs3)[nH]n2)o1 ZINC000446645126 297285144 /nfs/dbraw/zinc/28/51/44/297285144.db2.gz RSUGMIXVHYVKFA-UHFFFAOYSA-N -1 1 309.372 2.840 20 0 DFADMM C[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1)C(C)(F)F ZINC000451073351 297743043 /nfs/dbraw/zinc/74/30/43/297743043.db2.gz ZHUDODKNYBDXPI-SSDOTTSWSA-N -1 1 315.744 2.942 20 0 DFADMM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1sccc1Cl ZINC000451251732 297774135 /nfs/dbraw/zinc/77/41/35/297774135.db2.gz VRNBGCUJCDYOFA-QMMMGPOBSA-N -1 1 311.856 2.883 20 0 DFADMM O=S(=O)([N-]CC[C@H]1CCCCO1)c1sccc1Cl ZINC000451384235 297799072 /nfs/dbraw/zinc/79/90/72/297799072.db2.gz MZGHNFULHLTQFE-SECBINFHSA-N -1 1 309.840 2.639 20 0 DFADMM COCC1(C[N-]S(=O)(=O)c2sccc2Cl)CCCC1 ZINC000452042880 297916675 /nfs/dbraw/zinc/91/66/75/297916675.db2.gz GIQHYMLAXWDFCQ-UHFFFAOYSA-N -1 1 323.867 2.887 20 0 DFADMM CCOc1cc(C(=O)N2CC(C)(OCC)C2)cc(Cl)c1[O-] ZINC000452700528 298010415 /nfs/dbraw/zinc/01/04/15/298010415.db2.gz QBHSNMUSVHRDOU-UHFFFAOYSA-N -1 1 313.781 2.695 20 0 DFADMM COC[C@]1(C)CCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000452798313 298025965 /nfs/dbraw/zinc/02/59/65/298025965.db2.gz OSUUAUJZZUKJTN-OAHLLOKOSA-N -1 1 313.781 2.553 20 0 DFADMM CC(C)(C)C[C@@H]1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000454356227 298160811 /nfs/dbraw/zinc/16/08/11/298160811.db2.gz GNEJBJJENFHUEA-LBPRGKRZSA-N -1 1 313.401 2.821 20 0 DFADMM CC1(C)COC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000456542161 298550040 /nfs/dbraw/zinc/55/00/40/298550040.db2.gz NLYLEXYUHSBXMO-LLVKDONJSA-N -1 1 303.280 2.566 20 0 DFADMM O=C(Nc1ccc([O-])c(F)c1F)c1ccc(N2CCCC2)nc1 ZINC000456792149 298583309 /nfs/dbraw/zinc/58/33/09/298583309.db2.gz GUPSHBCRGGKZHY-UHFFFAOYSA-N -1 1 319.311 2.918 20 0 DFADMM CCC(C)(C)OCCNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000457340792 298701720 /nfs/dbraw/zinc/70/17/20/298701720.db2.gz IOPOPBGEIYAEQV-UHFFFAOYSA-N -1 1 323.437 2.723 20 0 DFADMM CC(C)(C)OC(=O)NCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000496440018 300063223 /nfs/dbraw/zinc/06/32/23/300063223.db2.gz RIDMEDSWTUIWQH-UHFFFAOYSA-N -1 1 309.297 2.606 20 0 DFADMM COC(=O)N1CCC[C@@H](c2nc(-c3ccc([O-])cc3F)no2)C1 ZINC000496561483 300080242 /nfs/dbraw/zinc/08/02/42/300080242.db2.gz HGMHLSIPJHDRLB-SECBINFHSA-N -1 1 321.308 2.527 20 0 DFADMM CC(C)(C)CCO[N-]C(=O)C1(CNC(=O)OC(C)(C)C)CC1 ZINC000496797092 300116227 /nfs/dbraw/zinc/11/62/27/300116227.db2.gz WPQWDRSCTITXBT-UHFFFAOYSA-N -1 1 314.426 2.775 20 0 DFADMM CC(C)O[N-]C(=O)C1(CNC(=O)OC(C)(C)C)CCCC1 ZINC000496919708 300132726 /nfs/dbraw/zinc/13/27/26/300132726.db2.gz MKUYACBPTBGBFT-UHFFFAOYSA-N -1 1 300.399 2.528 20 0 DFADMM CCCC[C@@H](CNC(=O)OC(C)(C)C)[N-]C(=O)C(F)(F)F ZINC000496981788 300142281 /nfs/dbraw/zinc/14/22/81/300142281.db2.gz NWCYTELWNGHCIW-VIFPVBQESA-N -1 1 312.332 2.748 20 0 DFADMM C[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)Nc1nccs1 ZINC000516622347 300351740 /nfs/dbraw/zinc/35/17/40/300351740.db2.gz MMQWXGRYMPPVDD-SSDOTTSWSA-N -1 1 322.415 2.635 20 0 DFADMM C[C@@H](c1nc(-c2cccs2)no1)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000516650985 300353923 /nfs/dbraw/zinc/35/39/23/300353923.db2.gz YQIYLLGXEMCWNG-OUAUKWLOSA-N -1 1 321.402 2.902 20 0 DFADMM O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)c1ncccc1[O-] ZINC000526032776 300618815 /nfs/dbraw/zinc/61/88/15/300618815.db2.gz 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/nfs/dbraw/zinc/60/61/18/603606118.db2.gz MHTLXLSEBJYNBO-LBPRGKRZSA-N -1 1 321.352 2.931 20 0 DFADMM O=C([O-])NCC1(NCc2nc3cc(F)ccc3o2)CCCC1 ZINC000832451501 603607858 /nfs/dbraw/zinc/60/78/58/603607858.db2.gz MHXBMBBIBCFYJT-UHFFFAOYSA-N -1 1 307.325 2.637 20 0 DFADMM O=C([O-])N[C@H]1CCC[C@H](C(=O)Nc2cccc(Cl)c2O)C1 ZINC000832324342 603614126 /nfs/dbraw/zinc/61/41/26/603614126.db2.gz HPWQTYAPWMLOGG-IUCAKERBSA-N -1 1 312.753 2.811 20 0 DFADMM CC(C)[C@H](CCN(C)Cc1nc2ccccc2o1)NC(=O)[O-] ZINC000824104880 603825565 /nfs/dbraw/zinc/82/55/65/603825565.db2.gz IGQAJEVNGYXANR-LBPRGKRZSA-N -1 1 305.378 2.942 20 0 DFADMM CN(Cc1nc2ccccc2s1)C1CCN(C(=O)[O-])CC1 ZINC000828422354 603981466 /nfs/dbraw/zinc/98/14/66/603981466.db2.gz STOKYNKSLQGWBB-UHFFFAOYSA-N -1 1 305.403 2.871 20 0 DFADMM COc1cc(CN2CCC[C@@H]2CNC(=O)[O-])ccc1SC ZINC000829115225 604065673 /nfs/dbraw/zinc/06/56/73/604065673.db2.gz JNPRENJURMNXIE-GFCCVEGCSA-N -1 1 310.419 2.649 20 0 DFADMM Cc1cccc2nc(CN3CCC[C@@H]([C@@H](C)NC(=O)[O-])C3)cn21 ZINC000830539085 604194871 /nfs/dbraw/zinc/19/48/71/604194871.db2.gz PJULPTNELRJDTA-ZIAGYGMSSA-N -1 1 316.405 2.511 20 0 DFADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2nc3ccccc3o2)C1 ZINC000825273760 604220050 /nfs/dbraw/zinc/22/00/50/604220050.db2.gz QTGVFUXFPZUHSA-NWDGAFQWSA-N -1 1 303.362 2.696 20 0 DFADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2nc3cc(F)ccc3o2)C1 ZINC000825271358 604236163 /nfs/dbraw/zinc/23/61/63/604236163.db2.gz FFRAKZLVDGBJDY-QWRGUYRKSA-N -1 1 321.352 2.835 20 0 DFADMM Cc1cccn2c(CN3Cc4ccccc4C[C@@H]3C(=O)[O-])cnc12 ZINC000832981976 604466768 /nfs/dbraw/zinc/46/67/68/604466768.db2.gz RXYGZTGJNHPTHE-QGZVFWFLSA-N -1 1 321.380 2.654 20 0 DFADMM C/C(=C/CN(Cc1ccnc(OC(C)C)c1)C1CC1)C(=O)[O-] ZINC000833383232 604473964 /nfs/dbraw/zinc/47/39/64/604473964.db2.gz MZFRBBHGHTYBEL-QPEQYQDCSA-N -1 1 304.390 2.864 20 0 DFADMM COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1CC[C@@H](C(C)C)C1 ZINC000833701672 604479441 /nfs/dbraw/zinc/47/94/41/604479441.db2.gz MHYCNZIBEGHLCL-CABCVRRESA-N -1 1 305.374 2.577 20 0 DFADMM O=C([O-])[C@@H]1CC12CCN(Cc1cnc([C@H]3CCCO3)s1)CC2 ZINC000833771545 604650053 /nfs/dbraw/zinc/65/00/53/604650053.db2.gz IJIYFQZOYRFAFF-QWHCGFSZSA-N -1 1 322.430 2.681 20 0 DFADMM CC(C)(C)c1ncc(CN2CCSC[C@@H]2CC(=O)[O-])s1 ZINC000833451114 604660508 /nfs/dbraw/zinc/66/05/08/604660508.db2.gz QDWNSRZVKKDQPN-JTQLQIEISA-N -1 1 314.476 2.833 20 0 DFADMM C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833548377 604683185 /nfs/dbraw/zinc/68/31/85/604683185.db2.gz OGNADKFKZWYXRL-KPWVOAKYSA-N -1 1 320.414 2.643 20 0 DFADMM CCc1ncc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)s1 ZINC000833677259 604916553 /nfs/dbraw/zinc/91/65/53/604916553.db2.gz KDEMFBNOTHMERY-UHFFFAOYSA-N -1 1 316.342 2.532 20 0 DFADMM COc1ccc(F)cc1[C@@H](C)N[C@H](C(=O)[O-])c1cccnc1 ZINC000832378404 604973340 /nfs/dbraw/zinc/97/33/40/604973340.db2.gz MMPHUNMBJYNJOQ-BMIGLBTASA-N -1 1 304.321 2.706 20 0 DFADMM C[C@H](c1ccc(F)c(Cl)c1)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833548911 604980383 /nfs/dbraw/zinc/98/03/83/604980383.db2.gz UJGLSAZJLXCLTB-YMTOWFKASA-N -1 1 315.772 2.698 20 0 DFADMM CC(C)Oc1ccccc1CN[C@H](C(=O)[O-])c1cccnc1 ZINC000827062574 604994441 /nfs/dbraw/zinc/99/44/41/604994441.db2.gz DWVPHGPUDWKWSL-INIZCTEOSA-N -1 1 300.358 2.784 20 0 DFADMM Cc1ccc(OC(F)F)c(CN[C@@H](C(=O)[O-])c2cccnc2)c1 ZINC000832950566 605007346 /nfs/dbraw/zinc/00/73/46/605007346.db2.gz IVRSXPOSQFSECS-CQSZACIVSA-N -1 1 322.311 2.907 20 0 DFADMM CCOCCC1(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000825589688 607729757 /nfs/dbraw/zinc/72/97/57/607729757.db2.gz ITCIVCPKCDLXMR-UHFFFAOYSA-N -1 1 322.800 2.534 20 0 DFADMM CCOCCC1(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000825589688 607729758 /nfs/dbraw/zinc/72/97/58/607729758.db2.gz ITCIVCPKCDLXMR-UHFFFAOYSA-N -1 1 322.800 2.534 20 0 DFADMM Clc1ccc(NCC2(C3CC3)CCC2)nc1-c1nnn[n-]1 ZINC000826352919 607732099 /nfs/dbraw/zinc/73/20/99/607732099.db2.gz SZCHHURGRFZCSF-UHFFFAOYSA-N -1 1 304.785 2.907 20 0 DFADMM Clc1ccc(NCC2(C3CC3)CCC2)nc1-c1nn[n-]n1 ZINC000826352919 607732101 /nfs/dbraw/zinc/73/21/01/607732101.db2.gz SZCHHURGRFZCSF-UHFFFAOYSA-N -1 1 304.785 2.907 20 0 DFADMM CCc1oc(C(=O)[O-])cc1CN[C@H](CCO)c1ccccc1 ZINC000833680779 605068309 /nfs/dbraw/zinc/06/83/09/605068309.db2.gz NVUAPCUZYGVYOC-CQSZACIVSA-N -1 1 303.358 2.754 20 0 DFADMM CC(C)N(CCC(=O)[O-])Cc1ccn(-c2c(F)cccc2F)n1 ZINC000833497935 605069121 /nfs/dbraw/zinc/06/91/21/605069121.db2.gz OTYGDGWGTQYEIL-UHFFFAOYSA-N -1 1 323.343 2.836 20 0 DFADMM C[C@]1(C(=O)[O-])CCN(Cc2coc(-c3c(F)cccc3F)n2)C1 ZINC000833554747 605074631 /nfs/dbraw/zinc/07/46/31/605074631.db2.gz IVQMYDCZGZAXCM-INIZCTEOSA-N -1 1 322.311 2.916 20 0 DFADMM C[C@](CNC(=O)[O-])(NCc1coc(-c2cccs2)n1)C1CC1 ZINC000824952987 605167748 /nfs/dbraw/zinc/16/77/48/605167748.db2.gz SPNVZAMFSFLGTO-OAHLLOKOSA-N -1 1 321.402 2.929 20 0 DFADMM C[C@H](CC(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1)C1CCCCC1 ZINC000833514709 605250647 /nfs/dbraw/zinc/25/06/47/605250647.db2.gz ZIYRKJHBYSTUCC-CABCVRRESA-N -1 1 324.465 2.600 20 0 DFADMM CC1=C(C(=O)[O-])C[C@H](CN2CCOc3ccccc3[C@@H]2C)O1 ZINC000833578318 605360213 /nfs/dbraw/zinc/36/02/13/605360213.db2.gz KDPUQHWNYGKEIJ-WCQYABFASA-N -1 1 303.358 2.590 20 0 DFADMM C[C@H](O)C1CCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC000833525522 605375533 /nfs/dbraw/zinc/37/55/33/605375533.db2.gz DJDKZSUPMYLLSI-XPTSAGLGSA-N -1 1 315.772 2.698 20 0 DFADMM O=C([O-])N[C@@H]1CCC[C@H]2CN(Cc3cccnc3Cl)C[C@H]21 ZINC000834184907 605441608 /nfs/dbraw/zinc/44/16/08/605441608.db2.gz SCEDCLMFXPOUAV-CYZMBNFOSA-N -1 1 309.797 2.603 20 0 DFADMM Cc1cccn2c(C[N@@H+]3CCCC[C@@H]3[C@H](C)NC(=O)[O-])cnc12 ZINC000833908376 605509385 /nfs/dbraw/zinc/50/93/85/605509385.db2.gz AXMOGIRKXOTEOY-DZGCQCFKSA-N -1 1 316.405 2.653 20 0 DFADMM Cc1cccn2c(CN3CCCC[C@@H]3[C@H](C)NC(=O)[O-])cnc12 ZINC000833908376 605509387 /nfs/dbraw/zinc/50/93/87/605509387.db2.gz AXMOGIRKXOTEOY-DZGCQCFKSA-N -1 1 316.405 2.653 20 0 DFADMM CC(C)[C@H](C(=O)OCc1ccccc1C(=O)[O-])N1CCCCC1 ZINC000833465900 605510876 /nfs/dbraw/zinc/51/08/76/605510876.db2.gz OYNMLJJABISPHX-MRXNPFEDSA-N -1 1 319.401 2.939 20 0 DFADMM O=C([O-])NC[C@H]1CCCCN1CC1=Cc2ccccc2OC1 ZINC000834217380 605558650 /nfs/dbraw/zinc/55/86/50/605558650.db2.gz DFFFRUYSQHWMEV-OAHLLOKOSA-N -1 1 302.374 2.585 20 0 DFADMM O=C([O-])NC[C@@H]1CCN(Cc2ccccc2OC(F)(F)F)C1 ZINC000834225160 605575417 /nfs/dbraw/zinc/57/54/17/605575417.db2.gz HXCBWAQLVVQCPJ-JTQLQIEISA-N -1 1 318.295 2.675 20 0 DFADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2cnc(C3CC3)s2)C1 ZINC000833815906 605604446 /nfs/dbraw/zinc/60/44/46/605604446.db2.gz XQGNBRKAOVHOHC-JQWIXIFHSA-N -1 1 309.435 2.889 20 0 DFADMM CN(Cc1ccc(NC(=O)[O-])nc1)[C@H](CCO)c1ccccc1 ZINC000833874249 605605514 /nfs/dbraw/zinc/60/55/14/605605514.db2.gz FJTODMCDHFJHCJ-OAHLLOKOSA-N -1 1 315.373 2.727 20 0 DFADMM O=C([O-])Nc1ccc(CN2CCC(OCC3CC3)CC2)cn1 ZINC000834260579 605615353 /nfs/dbraw/zinc/61/53/53/605615353.db2.gz UWIPMENPWSRGEH-UHFFFAOYSA-N -1 1 305.378 2.563 20 0 DFADMM O=C([O-])N1CCC[C@H](NCc2sccc2Br)C1 ZINC000834109097 605632589 /nfs/dbraw/zinc/63/25/89/605632589.db2.gz XJHZRAIXJSQAJR-QMMMGPOBSA-N -1 1 319.224 2.743 20 0 DFADMM Cc1nn(C)cc1[C@H](C)N[C@H]1C[C@@H](NC(=O)[O-])c2ccccc21 ZINC000833919903 605796801 /nfs/dbraw/zinc/79/68/01/605796801.db2.gz PTQQZWURBWAYSY-CIISACIHSA-N -1 1 314.389 2.833 20 0 DFADMM O=C([O-])N[C@@H]1C[C@@H](N[C@H](CO)c2ccccc2)c2ccccc21 ZINC000834156493 605799087 /nfs/dbraw/zinc/79/90/87/605799087.db2.gz AWFSLAQEKGWDCO-BRWVUGGUSA-N -1 1 312.369 2.763 20 0 DFADMM O=C([O-])N1CC[C@H](CN(Cc2ccco2)Cc2cccnc2)C1 ZINC000834074603 605872140 /nfs/dbraw/zinc/87/21/40/605872140.db2.gz OHNQYQBSYCRNEI-OAHLLOKOSA-N -1 1 315.373 2.677 20 0 DFADMM O=C([O-])Nc1cccc(CN2CCC[C@H](OC(F)F)C2)c1 ZINC000834269386 605874534 /nfs/dbraw/zinc/87/45/34/605874534.db2.gz UVQFUATWSXSJDN-LBPRGKRZSA-N -1 1 300.305 2.980 20 0 DFADMM O=C([O-])N1CCC2(CCN(Cc3cc(F)ccc3F)C2)CC1 ZINC000834091832 605896545 /nfs/dbraw/zinc/89/65/45/605896545.db2.gz JTGQQGCPXAIOFV-UHFFFAOYSA-N -1 1 310.344 2.931 20 0 DFADMM O=C([O-])N1CCC[C@H](NCc2c(F)c(F)cc(F)c2F)CC1 ZINC000834100668 606047726 /nfs/dbraw/zinc/04/77/26/606047726.db2.gz OEOCJMFFOHYRAX-QMMMGPOBSA-N -1 1 320.286 2.865 20 0 DFADMM COc1ccccc1[C@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000821890956 606124766 /nfs/dbraw/zinc/12/47/66/606124766.db2.gz TVDKHCQFGDUDDP-CQSZACIVSA-N -1 1 322.372 2.612 20 0 DFADMM COc1ccccc1[C@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000821890956 606124767 /nfs/dbraw/zinc/12/47/67/606124767.db2.gz TVDKHCQFGDUDDP-CQSZACIVSA-N -1 1 322.372 2.612 20 0 DFADMM CCc1cccc(OC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821492183 606176411 /nfs/dbraw/zinc/17/64/11/606176411.db2.gz JOOKQDYOQHWLOO-UHFFFAOYSA-N -1 1 300.343 2.710 20 0 DFADMM CCc1cccc(OC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821492183 606176413 /nfs/dbraw/zinc/17/64/13/606176413.db2.gz JOOKQDYOQHWLOO-UHFFFAOYSA-N -1 1 300.343 2.710 20 0 DFADMM O=C(CCCc1ccccc1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822958662 606195888 /nfs/dbraw/zinc/19/58/88/606195888.db2.gz AAIAQUUDIFVJFT-UHFFFAOYSA-N -1 1 323.356 2.534 20 0 DFADMM CCCc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000821138902 606196617 /nfs/dbraw/zinc/19/66/17/606196617.db2.gz JZKASOIUPFYFNH-UHFFFAOYSA-N -1 1 323.356 2.777 20 0 DFADMM CC[C@@H](CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])C(C)C ZINC000820881992 606293860 /nfs/dbraw/zinc/29/38/60/606293860.db2.gz HDLFMPJFDNGMFQ-JTQLQIEISA-N -1 1 303.366 2.583 20 0 DFADMM CCCCO[C@@H]1C[C@@H](Nc2cccc(-c3nnn[n-]3)n2)C1(C)C ZINC000821071511 606402584 /nfs/dbraw/zinc/40/25/84/606402584.db2.gz GZVYPZRJMRKKHQ-CHWSQXEVSA-N -1 1 316.409 2.657 20 0 DFADMM CCCCO[C@@H]1C[C@@H](Nc2cccc(-c3nn[n-]n3)n2)C1(C)C ZINC000821071511 606402585 /nfs/dbraw/zinc/40/25/85/606402585.db2.gz GZVYPZRJMRKKHQ-CHWSQXEVSA-N -1 1 316.409 2.657 20 0 DFADMM COCc1cccc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000821695839 606449871 /nfs/dbraw/zinc/44/98/71/606449871.db2.gz KFXFDJSQYZBSNQ-UHFFFAOYSA-N -1 1 316.752 2.805 20 0 DFADMM COCc1cccc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000821695839 606449872 /nfs/dbraw/zinc/44/98/72/606449872.db2.gz KFXFDJSQYZBSNQ-UHFFFAOYSA-N -1 1 316.752 2.805 20 0 DFADMM C[C@H](c1cccnc1)N(C)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820570141 606462213 /nfs/dbraw/zinc/46/22/13/606462213.db2.gz DUYYMXNMPYBASH-SECBINFHSA-N -1 1 315.768 2.508 20 0 DFADMM C[C@H](c1cccnc1)N(C)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820570141 606462215 /nfs/dbraw/zinc/46/22/15/606462215.db2.gz DUYYMXNMPYBASH-SECBINFHSA-N -1 1 315.768 2.508 20 0 DFADMM Cc1cnc([C@@H](Nc2cccc(-c3nnn[n-]3)n2)C2CC2)s1 ZINC000822389012 606469417 /nfs/dbraw/zinc/46/94/17/606469417.db2.gz ISQDHCQTXMUBSU-LBPRGKRZSA-N -1 1 313.390 2.590 20 0 DFADMM Cc1cnc([C@@H](Nc2cccc(-c3nn[n-]n3)n2)C2CC2)s1 ZINC000822389012 606469418 /nfs/dbraw/zinc/46/94/18/606469418.db2.gz ISQDHCQTXMUBSU-LBPRGKRZSA-N -1 1 313.390 2.590 20 0 DFADMM O=C(Oc1ccc2c(c1)CCC2)c1ccc(-c2nnn[n-]2)s1 ZINC000823454728 606490945 /nfs/dbraw/zinc/49/09/45/606490945.db2.gz SDQFYZJZVGEBQG-UHFFFAOYSA-N -1 1 312.354 2.636 20 0 DFADMM O=C(Oc1ccc2c(c1)CCC2)c1ccc(-c2nn[n-]n2)s1 ZINC000823454728 606490947 /nfs/dbraw/zinc/49/09/47/606490947.db2.gz SDQFYZJZVGEBQG-UHFFFAOYSA-N -1 1 312.354 2.636 20 0 DFADMM CC(C)N(C(=O)c1ccc(-c2nnn[n-]2)s1)C1CCCC1 ZINC000820112295 606501268 /nfs/dbraw/zinc/50/12/68/606501268.db2.gz QPYMWPYINKLLGJ-UHFFFAOYSA-N -1 1 305.407 2.721 20 0 DFADMM CC(C)N(C(=O)c1ccc(-c2nn[n-]n2)s1)C1CCCC1 ZINC000820112295 606501270 /nfs/dbraw/zinc/50/12/70/606501270.db2.gz QPYMWPYINKLLGJ-UHFFFAOYSA-N -1 1 305.407 2.721 20 0 DFADMM CC(C)CN(C(=O)c1ccc(-c2nnn[n-]2)s1)C1CCCC1 ZINC000820081468 606504402 /nfs/dbraw/zinc/50/44/02/606504402.db2.gz HTOUMGJIJOTLLX-UHFFFAOYSA-N -1 1 319.434 2.969 20 0 DFADMM CC(C)CN(C(=O)c1ccc(-c2nn[n-]n2)s1)C1CCCC1 ZINC000820081468 606504404 /nfs/dbraw/zinc/50/44/04/606504404.db2.gz HTOUMGJIJOTLLX-UHFFFAOYSA-N -1 1 319.434 2.969 20 0 DFADMM Cc1cc(C)cc(N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822196311 606529653 /nfs/dbraw/zinc/52/96/53/606529653.db2.gz DRDGJYUVCHBAFY-UHFFFAOYSA-N -1 1 313.386 2.822 20 0 DFADMM Cc1cc(C)cc(N(C)C(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822196311 606529655 /nfs/dbraw/zinc/52/96/55/606529655.db2.gz DRDGJYUVCHBAFY-UHFFFAOYSA-N -1 1 313.386 2.822 20 0 DFADMM CC(C)[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000820038087 606562522 /nfs/dbraw/zinc/56/25/22/606562522.db2.gz KKDMDGPFFKNGFJ-NSHDSACASA-N -1 1 319.434 2.827 20 0 DFADMM CC(C)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000820038087 606562524 /nfs/dbraw/zinc/56/25/24/606562524.db2.gz KKDMDGPFFKNGFJ-NSHDSACASA-N -1 1 319.434 2.827 20 0 DFADMM C[C@H](CCC(C)(C)C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820241575 606567335 /nfs/dbraw/zinc/56/73/35/606567335.db2.gz HLDITGFLFMQQBN-SECBINFHSA-N -1 1 307.423 2.873 20 0 DFADMM C[C@H](CCC(C)(C)C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820241575 606567336 /nfs/dbraw/zinc/56/73/36/606567336.db2.gz HLDITGFLFMQQBN-SECBINFHSA-N -1 1 307.423 2.873 20 0 DFADMM Cc1ccc(-c2noc(-c3ccc(-c4nnn[n-]4)s3)n2)cc1 ZINC000822223602 606620099 /nfs/dbraw/zinc/62/00/99/606620099.db2.gz CVYIFIPOPUATMM-UHFFFAOYSA-N -1 1 310.342 2.954 20 0 DFADMM Cc1ccc(-c2noc(-c3ccc(-c4nn[n-]n4)s3)n2)cc1 ZINC000822223602 606620101 /nfs/dbraw/zinc/62/01/01/606620101.db2.gz CVYIFIPOPUATMM-UHFFFAOYSA-N -1 1 310.342 2.954 20 0 DFADMM CCCCC[C@@H](C)CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821050332 606650785 /nfs/dbraw/zinc/65/07/85/606650785.db2.gz QSBOXOSJNBWLJX-GFCCVEGCSA-N -1 1 317.393 2.911 20 0 DFADMM CCCCC[C@@H](C)CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821050332 606650786 /nfs/dbraw/zinc/65/07/86/606650786.db2.gz QSBOXOSJNBWLJX-GFCCVEGCSA-N -1 1 317.393 2.911 20 0 DFADMM CC1(C)C[C@@H](Nc2cccc(-c3nnn[n-]3)n2)c2ccccc2O1 ZINC000820590376 606725353 /nfs/dbraw/zinc/72/53/53/606725353.db2.gz TUQNFRANPGOUCD-CYBMUJFWSA-N -1 1 322.372 2.976 20 0 DFADMM CC1(C)C[C@@H](Nc2cccc(-c3nn[n-]n3)n2)c2ccccc2O1 ZINC000820590376 606725355 /nfs/dbraw/zinc/72/53/55/606725355.db2.gz TUQNFRANPGOUCD-CYBMUJFWSA-N -1 1 322.372 2.976 20 0 DFADMM CC[C@H](C)CSc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000820868924 606799349 /nfs/dbraw/zinc/79/93/49/606799349.db2.gz CGSFHFIFDCXBKK-VIFPVBQESA-N -1 1 300.391 2.948 20 0 DFADMM FC1(F)CCC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000822736984 607131150 /nfs/dbraw/zinc/13/11/50/607131150.db2.gz NKVHOVCYYRXMQT-YFKPBYRVSA-N -1 1 320.756 2.966 20 0 DFADMM FC1(F)CCC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000822736984 607131151 /nfs/dbraw/zinc/13/11/51/607131151.db2.gz NKVHOVCYYRXMQT-YFKPBYRVSA-N -1 1 320.756 2.966 20 0 DFADMM CC(C)CC[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820072053 607163672 /nfs/dbraw/zinc/16/36/72/607163672.db2.gz AFOSDUUJCLLYLL-NSHDSACASA-N -1 1 319.434 2.969 20 0 DFADMM CC(C)CC[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820072053 607163674 /nfs/dbraw/zinc/16/36/74/607163674.db2.gz AFOSDUUJCLLYLL-NSHDSACASA-N -1 1 319.434 2.969 20 0 DFADMM O=c1c(-c2nn[n-]n2)cn(CCC2CCCC2)c2ccccc12 ZINC000823657431 607237629 /nfs/dbraw/zinc/23/76/29/607237629.db2.gz OUDGRLPZOXVQSU-UHFFFAOYSA-N -1 1 309.373 2.762 20 0 DFADMM CCCC(CCC)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000825242751 607804706 /nfs/dbraw/zinc/80/47/06/607804706.db2.gz ZYCJAEXSEDFUAL-UHFFFAOYSA-N -1 1 303.366 2.521 20 0 DFADMM CCCC(CCC)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825242751 607804707 /nfs/dbraw/zinc/80/47/07/607804707.db2.gz ZYCJAEXSEDFUAL-UHFFFAOYSA-N -1 1 303.366 2.521 20 0 DFADMM CC1(c2ccccc2)CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000824843406 607809947 /nfs/dbraw/zinc/80/99/47/607809947.db2.gz DRYAGOHDHKULQY-UHFFFAOYSA-N -1 1 320.400 2.820 20 0 DFADMM CC1(c2ccccc2)CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000824843406 607809948 /nfs/dbraw/zinc/80/99/48/607809948.db2.gz DRYAGOHDHKULQY-UHFFFAOYSA-N -1 1 320.400 2.820 20 0 DFADMM COc1ccc(C)cc1COc1cccc(F)c1-c1nnn[n-]1 ZINC000826190368 607865227 /nfs/dbraw/zinc/86/52/27/607865227.db2.gz YSIOSKUEBUKAPH-UHFFFAOYSA-N -1 1 314.320 2.902 20 0 DFADMM COc1ccc(C)cc1COc1cccc(F)c1-c1nn[n-]n1 ZINC000826190368 607865228 /nfs/dbraw/zinc/86/52/28/607865228.db2.gz YSIOSKUEBUKAPH-UHFFFAOYSA-N -1 1 314.320 2.902 20 0 DFADMM Fc1cccc(OCc2cnc(Cl)s2)c1-c1nnn[n-]1 ZINC000826378193 607865719 /nfs/dbraw/zinc/86/57/19/607865719.db2.gz ZGEWBLQRORLRGI-UHFFFAOYSA-N -1 1 311.729 2.695 20 0 DFADMM Fc1cccc(OCc2cnc(Cl)s2)c1-c1nn[n-]n1 ZINC000826378193 607865720 /nfs/dbraw/zinc/86/57/20/607865720.db2.gz ZGEWBLQRORLRGI-UHFFFAOYSA-N -1 1 311.729 2.695 20 0 DFADMM Cc1ccccc1C[C@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000826306520 607900259 /nfs/dbraw/zinc/90/02/59/607900259.db2.gz BUKVTEJZPSIYHS-OAHLLOKOSA-N -1 1 320.400 2.782 20 0 DFADMM Cc1ccccc1C[C@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000826306520 607900260 /nfs/dbraw/zinc/90/02/60/607900260.db2.gz BUKVTEJZPSIYHS-OAHLLOKOSA-N -1 1 320.400 2.782 20 0 DFADMM Clc1ccc([C@H]2CCN2c2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826351244 607901013 /nfs/dbraw/zinc/90/10/13/607901013.db2.gz FHLBMACNUYFUKE-CYBMUJFWSA-N -1 1 312.764 2.867 20 0 DFADMM Clc1ccc([C@H]2CCN2c2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826351244 607901014 /nfs/dbraw/zinc/90/10/14/607901014.db2.gz FHLBMACNUYFUKE-CYBMUJFWSA-N -1 1 312.764 2.867 20 0 DFADMM CC1(C)CCC[C@H](C(=O)OCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC000824802368 607916733 /nfs/dbraw/zinc/91/67/33/607916733.db2.gz MGSPRQVOJOTFFY-LBPRGKRZSA-N -1 1 315.377 2.521 20 0 DFADMM CC1(C)CCC[C@H](C(=O)OCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC000824802368 607916734 /nfs/dbraw/zinc/91/67/34/607916734.db2.gz MGSPRQVOJOTFFY-LBPRGKRZSA-N -1 1 315.377 2.521 20 0 DFADMM CCCC(CCC)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825241810 607998453 /nfs/dbraw/zinc/99/84/53/607998453.db2.gz AGDVDQSTDAMADN-UHFFFAOYSA-N -1 1 303.366 2.727 20 0 DFADMM Clc1nsc(Oc2cncc(Cl)c2)c1-c1nn[n-]n1 ZINC000826354242 608186189 /nfs/dbraw/zinc/18/61/89/608186189.db2.gz UVBRDTSFXMGGLF-UHFFFAOYSA-N -1 1 315.145 2.817 20 0 DFADMM Clc1nsc(Oc2ccc3c[nH]nc3c2)c1-c1nn[n-]n1 ZINC000826354540 608189829 /nfs/dbraw/zinc/18/98/29/608189829.db2.gz JETXFDRLDARVRG-UHFFFAOYSA-N -1 1 319.737 2.645 20 0 DFADMM OC1(CNc2cc(-c3nnn[n-]3)nc3ccccc32)CCCCC1 ZINC000826505637 608376045 /nfs/dbraw/zinc/37/60/45/608376045.db2.gz BAKDLMFCIWANDF-UHFFFAOYSA-N -1 1 324.388 2.522 20 0 DFADMM OC1(CNc2cc(-c3nn[n-]n3)nc3ccccc32)CCCCC1 ZINC000826505637 608376047 /nfs/dbraw/zinc/37/60/47/608376047.db2.gz BAKDLMFCIWANDF-UHFFFAOYSA-N -1 1 324.388 2.522 20 0 DFADMM CN(Cc1ccc(C(C)(C)C)cc1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825966351 608389774 /nfs/dbraw/zinc/38/97/74/608389774.db2.gz ZQFKNUZMGWWYEV-UHFFFAOYSA-N -1 1 323.404 2.591 20 0 DFADMM CN(Cc1ccc(C(C)(C)C)cc1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825966351 608389776 /nfs/dbraw/zinc/38/97/76/608389776.db2.gz ZQFKNUZMGWWYEV-UHFFFAOYSA-N -1 1 323.404 2.591 20 0 DFADMM CC(C)(C)c1ccc(CCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000824136651 608397726 /nfs/dbraw/zinc/39/77/26/608397726.db2.gz TUNWMXBASBXGCV-UHFFFAOYSA-N -1 1 323.404 2.609 20 0 DFADMM CC(C)(C)c1ccc(CCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000824136651 608397728 /nfs/dbraw/zinc/39/77/28/608397728.db2.gz TUNWMXBASBXGCV-UHFFFAOYSA-N -1 1 323.404 2.609 20 0 DFADMM CC(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC000824192868 608398302 /nfs/dbraw/zinc/39/83/02/608398302.db2.gz NQBYTLUNJPGCPG-CYBMUJFWSA-N -1 1 309.377 2.508 20 0 DFADMM CC(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC000824192868 608398303 /nfs/dbraw/zinc/39/83/03/608398303.db2.gz NQBYTLUNJPGCPG-CYBMUJFWSA-N -1 1 309.377 2.508 20 0 DFADMM CC(C)(C)[C@H]1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000824077991 608404478 /nfs/dbraw/zinc/40/44/78/608404478.db2.gz GVGXJWGKTDKKJE-RYUDHWBXSA-N -1 1 315.425 2.921 20 0 DFADMM CC(C)(C)[C@H]1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000824077991 608404479 /nfs/dbraw/zinc/40/44/79/608404479.db2.gz GVGXJWGKTDKKJE-RYUDHWBXSA-N -1 1 315.425 2.921 20 0 DFADMM CC[C@@H](CSC)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000825128174 608416622 /nfs/dbraw/zinc/41/66/22/608416622.db2.gz ROEYGURFEFNFHL-YFKPBYRVSA-N -1 1 304.832 2.530 20 0 DFADMM CC[C@@H](CSC)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000825128174 608416625 /nfs/dbraw/zinc/41/66/25/608416625.db2.gz ROEYGURFEFNFHL-YFKPBYRVSA-N -1 1 304.832 2.530 20 0 DFADMM Cc1ccccc1[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC000826306151 608418352 /nfs/dbraw/zinc/41/83/52/608418352.db2.gz RKOXIOQUVRAUPI-HNNXBMFYSA-N -1 1 307.361 2.528 20 0 DFADMM Cc1ccccc1[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC000826306151 608418354 /nfs/dbraw/zinc/41/83/54/608418354.db2.gz RKOXIOQUVRAUPI-HNNXBMFYSA-N -1 1 307.361 2.528 20 0 DFADMM Cc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1F ZINC000826299763 608591836 /nfs/dbraw/zinc/59/18/36/608591836.db2.gz UIICPWFAZMGPDT-UHFFFAOYSA-N -1 1 303.322 2.628 20 0 DFADMM Cc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1F ZINC000826299763 608591838 /nfs/dbraw/zinc/59/18/38/608591838.db2.gz UIICPWFAZMGPDT-UHFFFAOYSA-N -1 1 303.322 2.628 20 0 DFADMM O=C(Oc1c(F)cccc1Cl)c1sccc1-c1nn[n-]n1 ZINC000826467675 608673155 /nfs/dbraw/zinc/67/31/55/608673155.db2.gz IDBZFFQFKVVHHW-UHFFFAOYSA-N -1 1 324.724 2.940 20 0 DFADMM c1ccc(-c2ccc(Oc3ccc(-c4nnn[n-]4)nn3)cn2)cc1 ZINC000826519089 608797384 /nfs/dbraw/zinc/79/73/84/608797384.db2.gz JQWSHEYTLUVDDQ-UHFFFAOYSA-N -1 1 317.312 2.511 20 0 DFADMM c1ccc(-c2ccc(Oc3ccc(-c4nn[n-]n4)nn3)cn2)cc1 ZINC000826519089 608797388 /nfs/dbraw/zinc/79/73/88/608797388.db2.gz JQWSHEYTLUVDDQ-UHFFFAOYSA-N -1 1 317.312 2.511 20 0 DFADMM CC(C)CCc1nnc(NCc2ccc(-c3nn[n-]n3)s2)o1 ZINC000824249639 609265525 /nfs/dbraw/zinc/26/55/25/609265525.db2.gz QJMNQIGPCYOXJC-UHFFFAOYSA-N -1 1 319.394 2.512 20 0 DFADMM Cc1ccsc1COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826316221 609340192 /nfs/dbraw/zinc/34/01/92/609340192.db2.gz HUYXHWSXWCEPIN-UHFFFAOYSA-N -1 1 306.372 2.655 20 0 DFADMM Cc1ccsc1COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826316221 609340194 /nfs/dbraw/zinc/34/01/94/609340194.db2.gz HUYXHWSXWCEPIN-UHFFFAOYSA-N -1 1 306.372 2.655 20 0 DFADMM Cc1c(NCc2ccc(-c3nnn[n-]3)o2)cnn1-c1ccccc1 ZINC000826242382 609344904 /nfs/dbraw/zinc/34/49/04/609344904.db2.gz MOXYOLXAXZOHFS-UHFFFAOYSA-N -1 1 321.344 2.566 20 0 DFADMM Cc1c(NCc2ccc(-c3nn[n-]n3)o2)cnn1-c1ccccc1 ZINC000826242382 609344906 /nfs/dbraw/zinc/34/49/06/609344906.db2.gz MOXYOLXAXZOHFS-UHFFFAOYSA-N -1 1 321.344 2.566 20 0 DFADMM c1cc(-c2nn[n-]n2)sc1CNc1cnc2c(c1)CCCC2 ZINC000826526803 609445457 /nfs/dbraw/zinc/44/54/57/609445457.db2.gz NHDNWDLUXYLVBH-UHFFFAOYSA-N -1 1 312.402 2.814 20 0 DFADMM CN(Cc1nc(-c2ccc([O-])cc2F)no1)C(=O)OC(C)(C)C ZINC000278269976 214057787 /nfs/dbraw/zinc/05/77/87/214057787.db2.gz VNWWNNANZNAQBN-UHFFFAOYSA-N -1 1 323.324 2.948 20 0 DFADMM Cc1cnc(C2CCN(C(=O)c3cncc([O-])c3)CC2)s1 ZINC000278278003 214062586 /nfs/dbraw/zinc/06/25/86/214062586.db2.gz WOBYFXPFFNCORT-UHFFFAOYSA-N -1 1 303.387 2.572 20 0 DFADMM CC(C)CC(=O)NCCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278306775 214080204 /nfs/dbraw/zinc/08/02/04/214080204.db2.gz XYCIJDWNEPZWGJ-UHFFFAOYSA-N -1 1 323.780 2.800 20 0 DFADMM C[C@@H]1CN(C(=O)c2cc(F)ccc2[O-])C[C@H]1C(=O)OC(C)(C)C ZINC000412966797 295664984 /nfs/dbraw/zinc/66/49/84/295664984.db2.gz JNIGXMNZQGUADL-ZWNOBZJWSA-N -1 1 323.364 2.581 20 0 DFADMM 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CCc1cccc(S(=O)(=O)[N-]c2ccc([S@@](C)=O)cc2)c1 ZINC000080940550 426217611 /nfs/dbraw/zinc/21/76/11/426217611.db2.gz QRNDVGNVXAFVLL-FQEVSTJZSA-N -1 1 323.439 2.787 20 0 DFADMM COCCOc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000081939895 426227279 /nfs/dbraw/zinc/22/72/79/426227279.db2.gz FQCVSBPEIZROTJ-UHFFFAOYSA-N -1 1 305.305 2.809 20 0 DFADMM COc1ccc2nc(-c3ccc4nccnc4c3)[n-]c(=O)c2c1 ZINC000117991058 426227478 /nfs/dbraw/zinc/22/74/78/426227478.db2.gz LDEVWEVNEVVCRI-UHFFFAOYSA-N -1 1 304.309 2.542 20 0 DFADMM COC(=O)[C@@](C)(NC(=O)c1ccc2ccccc2c1[O-])C1CC1 ZINC000172465766 426227552 /nfs/dbraw/zinc/22/75/52/426227552.db2.gz CKWYGMKVHXHMGU-SFHVURJKSA-N -1 1 313.353 2.617 20 0 DFADMM CN1C(=O)CCc2cc(NC(=O)c3cc(F)ccc3[O-])ccc21 ZINC000081965977 426227784 /nfs/dbraw/zinc/22/77/84/426227784.db2.gz ZQEMKKIQDJDYAV-UHFFFAOYSA-N -1 1 314.316 2.693 20 0 DFADMM O=c1cc(C(F)(F)F)nc(SCCCc2cn[nH]c2)[n-]1 ZINC000151039667 426274223 /nfs/dbraw/zinc/27/42/23/426274223.db2.gz BWASARXNSIYOOF-UHFFFAOYSA-N -1 1 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C[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc2c(c1)CCC(=O)N2 ZINC000176022305 426346715 /nfs/dbraw/zinc/34/67/15/426346715.db2.gz DBOBCUXDZRJZAC-SSDOTTSWSA-N -1 1 318.270 2.649 20 0 DFADMM Cc1nc(=NC(=O)c2[nH]c(-c3cccc(C)c3)nc2C)s[n-]1 ZINC000339842529 268901728 /nfs/dbraw/zinc/90/17/28/268901728.db2.gz HDXPZQQLJCJLSJ-UHFFFAOYSA-N -1 1 313.386 2.528 20 0 DFADMM CC(C)Cn1ncc(NC(=O)c2cncc([O-])c2)c1C(F)F ZINC000339944349 268919351 /nfs/dbraw/zinc/91/93/51/268919351.db2.gz NFFWQEIJBJWXSD-UHFFFAOYSA-N -1 1 310.304 2.830 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCCCC1CCCC1 ZINC000176478752 426386446 /nfs/dbraw/zinc/38/64/46/426386446.db2.gz SGDLRPVJKYEKGO-UHFFFAOYSA-N -1 1 323.462 2.891 20 0 DFADMM CCCN(C(=O)c1ncccc1[O-])[C@@H]1C[C@@H](OCC)C1(C)C ZINC000153877433 426411232 /nfs/dbraw/zinc/41/12/32/426411232.db2.gz DDTZIKJXKDOUCN-ZIAGYGMSSA-N -1 1 306.406 2.843 20 0 DFADMM CCC[C@@H](NC(=O)c1cc(SC)ccc1C)c1nn[n-]n1 ZINC000176752828 426411260 /nfs/dbraw/zinc/41/12/60/426411260.db2.gz 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Cc1nc(CNC(=O)c2ccc(Cl)cc2[O-])ccc1[C@H](C)O ZINC000273019076 426574103 /nfs/dbraw/zinc/57/41/03/426574103.db2.gz QZTRZLNHFUXXFN-JTQLQIEISA-N -1 1 320.776 2.732 20 0 DFADMM CCOc1cc(-c2noc(CC(C)(C)O)n2)cc(Cl)c1[O-] ZINC000289150845 426593308 /nfs/dbraw/zinc/59/33/08/426593308.db2.gz NIVVTMUDCKJMAP-UHFFFAOYSA-N -1 1 312.753 2.808 20 0 DFADMM CCCc1cc(=O)[n-]c(S[C@H]2CCCN(C(C)C)C2=O)n1 ZINC000178457146 426633209 /nfs/dbraw/zinc/63/32/09/426633209.db2.gz IVRGPLVPLNVGHI-LBPRGKRZSA-N -1 1 309.435 2.626 20 0 DFADMM Cc1cccnc1[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)C(C)C ZINC000280899025 426680563 /nfs/dbraw/zinc/68/05/63/426680563.db2.gz HLAINBWCMPSSIE-HNNXBMFYSA-N -1 1 312.369 2.792 20 0 DFADMM O=C([O-])CCN1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000238160199 426711069 /nfs/dbraw/zinc/71/10/69/426711069.db2.gz ANHZVGYINYJXIW-ZDUSSCGKSA-N -1 1 301.346 2.738 20 0 DFADMM Cn1nc(C2CCCC2)cc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000281319514 426712976 /nfs/dbraw/zinc/71/29/76/426712976.db2.gz SRMJXURRYVQJHO-UHFFFAOYSA-N -1 1 313.357 2.605 20 0 DFADMM COC(=O)c1c[n-]c(SCc2cnn(-c3ccccc3)c2)n1 ZINC000188091224 426722487 /nfs/dbraw/zinc/72/24/87/426722487.db2.gz NKPCZDZDDRFCSM-UHFFFAOYSA-N -1 1 314.370 2.674 20 0 DFADMM CN(CC1(O)CCCCCC1)C(=O)c1c(F)ccc([O-])c1F ZINC000290093521 426692306 /nfs/dbraw/zinc/69/23/06/426692306.db2.gz HFRYBEADXIBODA-UHFFFAOYSA-N -1 1 313.344 2.828 20 0 DFADMM CCc1oc(C(=O)OC)cc1CSc1nc(CC)cc(=O)[n-]1 ZINC000188090442 426722915 /nfs/dbraw/zinc/72/29/15/426722915.db2.gz RWMRBYSMBYRSQM-UHFFFAOYSA-N -1 1 322.386 2.567 20 0 DFADMM O=C([N-]c1nnc(CC(F)(F)F)s1)c1conc1C1CC1 ZINC000290405515 426758506 /nfs/dbraw/zinc/75/85/06/426758506.db2.gz DXBXNOPGDPAFCG-UHFFFAOYSA-N -1 1 318.280 2.761 20 0 DFADMM CO[C@@H](C)c1nc(CNC(=O)c2c([O-])cccc2F)cs1 ZINC000274690821 426818612 /nfs/dbraw/zinc/81/86/12/426818612.db2.gz JRNKKSWWNSQXRA-QMMMGPOBSA-N -1 1 310.350 2.625 20 0 DFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)Cc1nccs1 ZINC000267200562 426844498 /nfs/dbraw/zinc/84/44/98/426844498.db2.gz 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DFADMM O=C(c1ccc(Cl)cc1[O-])N1CCC(c2cn[nH]c2)CC1 ZINC000364889312 429267228 /nfs/dbraw/zinc/26/72/28/429267228.db2.gz UUCDXFAOOTXPEN-UHFFFAOYSA-N -1 1 305.765 2.789 20 0 DFADMM CC(=O)c1ccc(C(=O)[N-]c2n[nH]c(-c3ccc(C)cc3)n2)o1 ZINC000446053463 429297549 /nfs/dbraw/zinc/29/75/49/429297549.db2.gz OVJKVDJXAZFWDA-UHFFFAOYSA-N -1 1 310.313 2.828 20 0 DFADMM Cc1nc(CNCc2ccc(-n3cccn3)cc2)ccc1C(=O)[O-] ZINC000426647981 429405800 /nfs/dbraw/zinc/40/58/00/429405800.db2.gz PMJKCHWPLLWWHR-UHFFFAOYSA-N -1 1 322.368 2.564 20 0 DFADMM COc1cc(C(=O)NCc2cnc(C)cc2C)cc(Cl)c1[O-] ZINC000456868078 429359620 /nfs/dbraw/zinc/35/96/20/429359620.db2.gz WZTXFADPPJMQBY-UHFFFAOYSA-N -1 1 320.776 2.996 20 0 DFADMM O=c1[n-]c([C@@H]2CCCCN2CCSc2ccccc2)n[nH]1 ZINC000519032594 429445661 /nfs/dbraw/zinc/44/56/61/429445661.db2.gz SMLOVLKBARCFFK-ZDUSSCGKSA-N -1 1 304.419 2.830 20 0 DFADMM O=C(Nc1ccc(-c2cnccn2)cn1)c1cc(F)ccc1[O-] ZINC000366453670 429455196 /nfs/dbraw/zinc/45/51/96/429455196.db2.gz CJMYSGPRJSGXAZ-UHFFFAOYSA-N -1 1 310.288 2.636 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1cscc1C ZINC000427593986 429457426 /nfs/dbraw/zinc/45/74/26/429457426.db2.gz NOAKTMKCPYUVIA-UHFFFAOYSA-N -1 1 309.416 2.512 20 0 DFADMM COc1ccccc1[S@@](=O)C=C([O-])c1cc(C)n(C)c1C ZINC000519415505 429458885 /nfs/dbraw/zinc/45/88/85/429458885.db2.gz NXSKBZKJEHUHNF-NRFANRHFSA-N -1 1 305.399 2.641 20 0 DFADMM CCOc1cc(C(=O)NC[C@@H]2CC[C@H](C)O2)cc(Cl)c1[O-] ZINC000457423677 429462619 /nfs/dbraw/zinc/46/26/19/429462619.db2.gz FURLUWMJSPVQGU-ONGXEEELSA-N -1 1 313.781 2.742 20 0 DFADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ncccc3F)cc2s1 ZINC000427765721 429469012 /nfs/dbraw/zinc/46/90/12/429469012.db2.gz NBOAFRFDIPDEAU-UHFFFAOYSA-N -1 1 323.374 2.940 20 0 DFADMM CCOc1cccc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2)n1 ZINC000426769666 429414997 /nfs/dbraw/zinc/41/49/97/429414997.db2.gz KYPHZMMJKFYMGP-HNNXBMFYSA-N -1 1 318.348 2.925 20 0 DFADMM COc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2F)cc1F ZINC000426774943 429415703 /nfs/dbraw/zinc/41/57/03/429415703.db2.gz QVCYNTUAWSYHRZ-OAHLLOKOSA-N -1 1 307.296 2.889 20 0 DFADMM O=C([O-])[C@H](NCc1c[nH]c(-c2ccccc2)n1)c1ccc(O)cc1 ZINC000426802548 429416676 /nfs/dbraw/zinc/41/66/76/429416676.db2.gz ZHNUOSRPJQAEBG-MRXNPFEDSA-N -1 1 323.352 2.698 20 0 DFADMM COCc1cccc(CN[C@H](C(=O)[O-])c2ccccc2OC)c1 ZINC000426816168 429419333 /nfs/dbraw/zinc/41/93/33/429419333.db2.gz JAMRERQXLRFYSB-KRWDZBQOSA-N -1 1 315.369 2.757 20 0 DFADMM O=C([O-])[C@H](NCc1cc2ccccc2[nH]c1=O)c1ccsc1 ZINC000426830157 429419942 /nfs/dbraw/zinc/41/99/42/429419942.db2.gz VQIYWMSJZBZZSY-CQSZACIVSA-N -1 1 314.366 2.917 20 0 DFADMM Cc1ccc2c(CCNC(=O)c3ncc(C)cc3[O-])c[nH]c2c1 ZINC000427108682 429433995 /nfs/dbraw/zinc/43/39/95/429433995.db2.gz RPWZDVFSKRIHOJ-UHFFFAOYSA-N -1 1 309.369 2.858 20 0 DFADMM Cc1nnsc1CN(CCCC(=O)[O-])Cc1ccccc1 ZINC000518783020 429436550 /nfs/dbraw/zinc/43/65/50/429436550.db2.gz VRXJVSCSJKWYFG-UHFFFAOYSA-N -1 1 305.403 2.714 20 0 DFADMM CC(C)OCCN(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000519757788 429485433 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CC(C)c1nc(CN2[C@@H](C(=O)[O-])CC[C@H]2c2ccccc2)n[nH]1 ZINC000521070733 429538380 /nfs/dbraw/zinc/53/83/80/429538380.db2.gz GMAROUZAJGJNHN-UONOGXRCSA-N -1 1 314.389 2.718 20 0 DFADMM CCOc1cc(C(=O)N[C@H](C)c2ccn(C)n2)cc(Cl)c1[O-] ZINC000458275883 429611631 /nfs/dbraw/zinc/61/16/31/429611631.db2.gz GHBAXTPSQGQGLH-SECBINFHSA-N -1 1 323.780 2.669 20 0 DFADMM C[C@@H](C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)C1CC1 ZINC000450697923 429679081 /nfs/dbraw/zinc/67/90/81/429679081.db2.gz OJWJQYKZXQGZEL-SSDOTTSWSA-N -1 1 306.753 2.815 20 0 DFADMM CC[C@](C)(OC)C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000450698578 429679692 /nfs/dbraw/zinc/67/96/92/429679692.db2.gz PQCXKODBKZUWGH-AWEZNQCLSA-N -1 1 324.768 2.584 20 0 DFADMM FC(F)(F)c1nc(=NC[C@@H]2CCOC3(CCC3)C2)s[n-]1 ZINC000450718479 429684458 /nfs/dbraw/zinc/68/44/58/429684458.db2.gz NWLAHBYKCPZRCA-MRVPVSSYSA-N -1 1 307.341 2.740 20 0 DFADMM CN(CCC(=O)[O-])CC(=O)Nc1ccccc1-c1ccccc1 ZINC000430651454 429704795 /nfs/dbraw/zinc/70/47/95/429704795.db2.gz GJGNAYZKXRWSCK-UHFFFAOYSA-N -1 1 312.369 2.699 20 0 DFADMM CN(CCC(=O)[O-])[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000430661832 429707665 /nfs/dbraw/zinc/70/76/65/429707665.db2.gz IDCYPNBUGUVOTC-QGZVFWFLSA-N -1 1 312.369 2.773 20 0 DFADMM CN(CCCC(=O)[O-])CC(=O)Nc1cccc2ccccc21 ZINC000430665518 429708034 /nfs/dbraw/zinc/70/80/34/429708034.db2.gz KWRPPKSGARRTTD-UHFFFAOYSA-N -1 1 300.358 2.575 20 0 DFADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@@H](n2cccn2)C1 ZINC000367872619 429733853 /nfs/dbraw/zinc/73/38/53/429733853.db2.gz HKCMZEOVRUZHQU-CQSZACIVSA-N -1 1 307.353 2.829 20 0 DFADMM Cc1ccc2c(c1)[C@H](NC(=O)c1c(F)ccc([O-])c1F)CO2 ZINC000368052578 429776226 /nfs/dbraw/zinc/77/62/26/429776226.db2.gz XAVRSFUXAWXJJE-LLVKDONJSA-N -1 1 305.280 2.842 20 0 DFADMM O=C([N-]c1nc[nH]n1)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000368263432 429819452 /nfs/dbraw/zinc/81/94/52/429819452.db2.gz ACGAWYZSDGCTSO-UHFFFAOYSA-N -1 1 323.234 2.731 20 0 DFADMM Cc1ccccc1-c1nc(=N[C@H](C)C2=CC[N@H+](C)CC2)s[nH]1 ZINC000527957633 429828277 /nfs/dbraw/zinc/82/82/77/429828277.db2.gz PNWXOGPSBZTLQV-CYBMUJFWSA-N -1 1 314.458 2.998 20 0 DFADMM COC(=O)c1c[n-]c(SCC(=O)c2cc(C)c(F)c(C)c2)n1 ZINC000432663866 429834659 /nfs/dbraw/zinc/83/46/59/429834659.db2.gz BXYGPDYAHKTTGJ-UHFFFAOYSA-N -1 1 322.361 2.927 20 0 DFADMM Cc1cccc(CN(C)C(=O)c2nc3ccccc3c(=O)[n-]2)c1C ZINC000493888095 429846295 /nfs/dbraw/zinc/84/62/95/429846295.db2.gz KDDXGSIWYQGUQZ-UHFFFAOYSA-N -1 1 321.380 2.812 20 0 DFADMM CCc1ncc(S(=O)(=O)[N-]C[C@@H]2CCCCC2(F)F)s1 ZINC000451641159 429864553 /nfs/dbraw/zinc/86/45/53/429864553.db2.gz NATJTDFQDQKQOL-VIFPVBQESA-N -1 1 324.418 2.809 20 0 DFADMM CCC[C@H](C[N-]S(=O)(=O)c1c(F)cccc1Cl)OC ZINC000451639423 429864806 /nfs/dbraw/zinc/86/48/06/429864806.db2.gz MEEUBZYBUBKFFL-SECBINFHSA-N -1 1 309.790 2.573 20 0 DFADMM CCOCCC1(C[N-]S(=O)(=O)c2sccc2Cl)CC1 ZINC000451340962 429814305 /nfs/dbraw/zinc/81/43/05/429814305.db2.gz CQQQFWQBLFTHCO-UHFFFAOYSA-N -1 1 323.867 2.887 20 0 DFADMM CC(C)(CC(=O)N1CCC[C@@H](c2nn[n-]n2)C1)C1CCCCC1 ZINC000369145861 429915908 /nfs/dbraw/zinc/91/59/08/429915908.db2.gz TVUNFCHLNNYLJF-CYBMUJFWSA-N -1 1 319.453 2.902 20 0 DFADMM C[C@@H](c1ccccn1)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000573098786 429924552 /nfs/dbraw/zinc/92/45/52/429924552.db2.gz YPQBTFMMBMURSL-ZDUSSCGKSA-N -1 1 300.358 2.738 20 0 DFADMM O=S(=O)([N-]C[C@H]1CCC[C@@H](CO)C1)c1cc2ccccc2o1 ZINC000557864125 429956380 /nfs/dbraw/zinc/95/63/80/429956380.db2.gz OCIWGMPJYXQYIV-QWHCGFSZSA-N -1 1 323.414 2.510 20 0 DFADMM O=S(=O)([N-]C[C@H]1CCCSC1)c1cc2ccccc2o1 ZINC000557864281 429957556 /nfs/dbraw/zinc/95/75/56/429957556.db2.gz QQUSKOWCFXXUBZ-LLVKDONJSA-N -1 1 311.428 2.854 20 0 DFADMM COc1ccnc(CN2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1 ZINC000573507483 429957813 /nfs/dbraw/zinc/95/78/13/429957813.db2.gz ZYZSONYQYPBYFN-RHSMWYFYSA-N -1 1 318.417 2.946 20 0 DFADMM CCc1c(=O)n(C[C@H]2COc3ccccc3O2)[n-]c1C(C)C ZINC000634590086 430044978 /nfs/dbraw/zinc/04/49/78/430044978.db2.gz PRZMRZZABZWIEF-STQMWFEESA-N -1 1 302.374 2.707 20 0 DFADMM CCc1[n-]n(-c2nnc(-c3ccccc3)n2C)c(=O)c1C(C)C ZINC000634591012 430045054 /nfs/dbraw/zinc/04/50/54/430045054.db2.gz QSYPEMGJPNXLLH-CQSZACIVSA-N -1 1 311.389 2.867 20 0 DFADMM CCc1c(-c2cccc(OC)c2)[n-]n(-c2cc(C)nc(C)n2)c1=O ZINC000634592116 430046751 /nfs/dbraw/zinc/04/67/51/430046751.db2.gz YMYWZAUPISSUCO-HNNXBMFYSA-N -1 1 324.384 2.879 20 0 DFADMM CN(C)c1nc2sc(C(=O)[N-]c3nncs3)cc2s1 ZINC000048939064 276812325 /nfs/dbraw/zinc/81/23/25/276812325.db2.gz VYGCQBMKKZMBGD-UHFFFAOYSA-N -1 1 311.417 2.528 20 0 DFADMM CCc1c(-c2cccc(OC)c2)[n-]n(-c2cc(C)ncn2)c1=O ZINC000634600914 430048488 /nfs/dbraw/zinc/04/84/88/430048488.db2.gz WUELUMPDGOQVBP-CQSZACIVSA-N -1 1 310.357 2.571 20 0 DFADMM CC(C)(C)CCN1CCN(C(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000574517797 430048643 /nfs/dbraw/zinc/04/86/43/430048643.db2.gz MIXANEPPRWCKEQ-UHFFFAOYSA-N -1 1 318.417 2.579 20 0 DFADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000634496919 430020171 /nfs/dbraw/zinc/02/01/71/430020171.db2.gz 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/nfs/dbraw/zinc/05/73/24/430057324.db2.gz GAYMOQPTDFISHQ-MBNYWOFBSA-N -1 1 314.385 2.981 20 0 DFADMM O=C(NC1(Cc2cccc(F)c2)CCC1)c1cncc([O-])c1 ZINC000560640578 430060120 /nfs/dbraw/zinc/06/01/20/430060120.db2.gz NIVOGROPDGPNPS-UHFFFAOYSA-N -1 1 300.333 2.822 20 0 DFADMM COc1ccc(-c2[n-]n([C@@H](C)C(F)(F)F)c(=O)c2C)cc1 ZINC000634631079 430060174 /nfs/dbraw/zinc/06/01/74/430060174.db2.gz KMPPCEVAKIRIQZ-BDAKNGLRSA-N -1 1 300.280 2.828 20 0 DFADMM CCc1cc(S(=O)(=O)[N-]c2[nH]nc(C)c2C)c(C)cc1OC ZINC000634656305 430067052 /nfs/dbraw/zinc/06/70/52/430067052.db2.gz HHMWIGUYLASMJO-UHFFFAOYSA-N -1 1 323.418 2.707 20 0 DFADMM O=C(c1nc[n-]c1-c1nc(COC2CCC2)no1)c1ccccc1 ZINC000634671357 430072440 /nfs/dbraw/zinc/07/24/40/430072440.db2.gz CRZIITDDTVVTTK-UHFFFAOYSA-N -1 1 324.340 2.760 20 0 DFADMM O=C([O-])c1ccc(CN2CC[C@H](Oc3cccc(F)c3)C2)nc1 ZINC000634697690 430083043 /nfs/dbraw/zinc/08/30/43/430083043.db2.gz OUHCLQNAVJJJHX-INIZCTEOSA-N -1 1 316.332 2.572 20 0 DFADMM CC[C@H](C)n1nc(NC(=O)c2c(F)ccc([O-])c2F)cc1C ZINC000581039037 430172536 /nfs/dbraw/zinc/17/25/36/430172536.db2.gz KCOYKCZKFODVNO-QMMMGPOBSA-N -1 1 309.316 3.399 20 0 DFADMM COC[C@]1(C(=O)[O-])CCN(c2cc(C)nc3ccc(F)cc32)C1 ZINC000634965529 430177499 /nfs/dbraw/zinc/17/74/99/430177499.db2.gz NCFYEPVWRPPHBL-KRWDZBQOSA-N -1 1 318.348 2.610 20 0 DFADMM COc1cccc(CCNC(=O)c2cc(F)ccc2[O-])c1OC ZINC000530952036 430130352 /nfs/dbraw/zinc/13/03/52/430130352.db2.gz NNIRUTFTJXUREY-UHFFFAOYSA-N -1 1 319.332 2.521 20 0 DFADMM Cc1cc(=NC(=O)N=c2[n-]sc3ccccc32)[nH]n1C(C)C ZINC000640337040 430141372 /nfs/dbraw/zinc/14/13/72/430141372.db2.gz DXABVNPIXWBQPA-UHFFFAOYSA-N -1 1 315.402 2.870 20 0 DFADMM O=C(NCc1cn(C2CCC2)nn1)c1ccc2ccccc2c1[O-] ZINC000640538885 430193631 /nfs/dbraw/zinc/19/36/31/430193631.db2.gz NHTVVKVHFHARJX-UHFFFAOYSA-N -1 1 322.368 2.792 20 0 DFADMM CCc1nc2cc(S(=O)(=O)[N-]c3[nH]nc(C)c3C)ccc2o1 ZINC000542002720 430200866 /nfs/dbraw/zinc/20/08/66/430200866.db2.gz NLAOTGAUZORYHY-UHFFFAOYSA-N -1 1 320.374 2.531 20 0 DFADMM CCn1nc(C)c(CN(C)Cc2cccc(C(=O)[O-])c2)c1C ZINC000635016690 430198665 /nfs/dbraw/zinc/19/86/65/430198665.db2.gz BBXIRITVHZIRLW-UHFFFAOYSA-N -1 1 301.390 2.850 20 0 DFADMM CCC(CC)n1ccc(CN2CCC[C@](COC)(C(=O)[O-])C2)n1 ZINC000565486534 430213303 /nfs/dbraw/zinc/21/33/03/430213303.db2.gz PIKXXEOWTZAXMV-KRWDZBQOSA-N -1 1 323.437 2.557 20 0 DFADMM CCO[C@H]1C[C@@H](N(C)Cc2cc(C(=O)[O-])nn2C)C1(CC)CC ZINC000635304235 430248319 /nfs/dbraw/zinc/24/83/19/430248319.db2.gz QYIOCNCRHFNUIJ-CABCVRRESA-N -1 1 323.437 2.534 20 0 DFADMM Cn1nc(C(=O)[O-])cc1CN(Cc1ccc(F)cc1)CC1CC1 ZINC000635302976 430249430 /nfs/dbraw/zinc/24/94/30/430249430.db2.gz QRRLCEKGQDCSKB-UHFFFAOYSA-N -1 1 317.364 2.670 20 0 DFADMM Cn1nc(C(=O)[O-])cc1CNC1(c2cccc(Cl)c2)CC1 ZINC000635309903 430251181 /nfs/dbraw/zinc/25/11/81/430251181.db2.gz VIEFZJVAFCIRML-UHFFFAOYSA-N -1 1 305.765 2.551 20 0 DFADMM CSc1ccc([C@@H](C)NCc2cc(C(=O)[O-])nn2C)cc1 ZINC000635312514 430252333 /nfs/dbraw/zinc/25/23/33/430252333.db2.gz 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316.741 2.684 20 0 DFADMM CC(C)(C)OC(=O)[C@]1(C)CCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000331309949 526525779 /nfs/dbraw/zinc/52/57/79/526525779.db2.gz BQEDREOTOLZHBD-QGZVFWFLSA-N -1 1 323.364 2.725 20 0 DFADMM CCC[C@H](NC(=O)c1ccc(C(C)(F)F)cc1)c1nn[n-]n1 ZINC000294967989 528203472 /nfs/dbraw/zinc/20/34/72/528203472.db2.gz MYEBXANPQIZUDG-NSHDSACASA-N -1 1 309.320 2.583 20 0 DFADMM CCOc1cc(C(=O)N[C@H](C)CCCCO)cc(Cl)c1[O-] ZINC000295800849 528233564 /nfs/dbraw/zinc/23/35/64/528233564.db2.gz BANYPZRVNZQERC-SNVBAGLBSA-N -1 1 315.797 2.725 20 0 DFADMM CCOc1cc(C(=O)[N-]c2nc(C3CCOCC3)cs2)on1 ZINC000295748106 528239304 /nfs/dbraw/zinc/23/93/04/528239304.db2.gz OASWEWYJZCDUDS-UHFFFAOYSA-N -1 1 323.374 2.676 20 0 DFADMM CCOCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000292915898 528580340 /nfs/dbraw/zinc/58/03/40/528580340.db2.gz XLSJWEXVDVAJIY-UHFFFAOYSA-N -1 1 309.790 2.573 20 0 DFADMM CCCCc1ccc(C(=O)CCC(=O)[N-]OC(C)(C)CO)cc1 ZINC000297346852 529019187 /nfs/dbraw/zinc/01/91/87/529019187.db2.gz XYBJILZDOLMRKM-UHFFFAOYSA-N -1 1 321.417 2.811 20 0 DFADMM CC1(C)CN(Cc2cccc([O-])c2Cl)C[C@]2(CCOC2)O1 ZINC000294745365 529124559 /nfs/dbraw/zinc/12/45/59/529124559.db2.gz QZXRSYPJBRECDE-INIZCTEOSA-N -1 1 311.809 2.816 20 0 DFADMM CCn1c(C)cc(C(=O)CSc2nc(C(=O)OC)c[n-]2)c1C ZINC000361996675 535966889 /nfs/dbraw/zinc/96/68/89/535966889.db2.gz QMVXSBWJKORJFQ-UHFFFAOYSA-N -1 1 321.402 2.610 20 0 DFADMM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cccc2c[nH]nc21 ZINC000237060301 536465503 /nfs/dbraw/zinc/46/55/03/536465503.db2.gz GODIUKCJRCNYAY-UHFFFAOYSA-N -1 1 309.325 2.533 20 0 DFADMM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1[nH]nc2ccccc21 ZINC000237062525 536465910 /nfs/dbraw/zinc/46/59/10/536465910.db2.gz XIDHXBYLPHNJPW-UHFFFAOYSA-N -1 1 309.325 2.533 20 0 DFADMM CCOc1cc(C(=O)NCC[C@@H]2CCCO2)cc(Cl)c1[O-] ZINC000680814877 545545969 /nfs/dbraw/zinc/54/59/69/545545969.db2.gz JROCISHVPZXAOC-NSHDSACASA-N -1 1 313.781 2.743 20 0 DFADMM Cc1ccc(OCCN(C)C(=O)c2ccc([O-])c(F)c2)cc1 ZINC000681015613 545581745 /nfs/dbraw/zinc/58/17/45/545581745.db2.gz HWLUWVUHKTVRPU-UHFFFAOYSA-N -1 1 303.333 2.991 20 0 DFADMM O=C(Nc1ccccc1N1CCCC1=O)c1ccc([O-])c(F)c1 ZINC000681016484 545582880 /nfs/dbraw/zinc/58/28/80/545582880.db2.gz YGYHZRFLPOSHML-UHFFFAOYSA-N -1 1 314.316 2.910 20 0 DFADMM Cc1cc(C)cc(OCCNC(=O)c2ccc([O-])c(F)c2)c1 ZINC000681020474 545583532 /nfs/dbraw/zinc/58/35/32/545583532.db2.gz BKJLZUCWLRRZGM-UHFFFAOYSA-N -1 1 303.333 2.957 20 0 DFADMM O=C(Nc1nnc(-c2ccco2)s1)c1ccc([O-])c(F)c1 ZINC000681022074 545583730 /nfs/dbraw/zinc/58/37/30/545583730.db2.gz XPLQHNWAQWGHDS-UHFFFAOYSA-N -1 1 305.290 2.895 20 0 DFADMM C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000681058207 545590712 /nfs/dbraw/zinc/59/07/12/545590712.db2.gz HZRHTCZKVYBQON-PIGZYNQJSA-N -1 1 315.344 2.996 20 0 DFADMM O=C(NCCCCNc1ccccn1)c1ccc([O-])c(F)c1 ZINC000681042041 545587070 /nfs/dbraw/zinc/58/70/70/545587070.db2.gz YIVRINHLPNBWHP-UHFFFAOYSA-N -1 1 303.337 2.548 20 0 DFADMM O=C(NCc1ccc2c(c1)OCCCO2)c1ccc([O-])c(F)c1 ZINC000681039680 545587425 /nfs/dbraw/zinc/58/74/25/545587425.db2.gz QKLBQFUHSCBIMI-UHFFFAOYSA-N -1 1 317.316 2.623 20 0 DFADMM CN1CCOc2ccc(NC(=O)c3ccc([O-])c(F)c3)cc21 ZINC000681052125 545589186 /nfs/dbraw/zinc/58/91/86/545589186.db2.gz GWDJOZFANWGQLO-UHFFFAOYSA-N -1 1 302.305 2.612 20 0 DFADMM Cc1nn(C)cc1[C@H]1CCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000681055287 545590013 /nfs/dbraw/zinc/59/00/13/545590013.db2.gz CXNWSVCYQQEHDR-CQSZACIVSA-N -1 1 303.337 2.551 20 0 DFADMM CC[C@H]1CC[C@H](C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)CC1 ZINC000682263524 545824839 /nfs/dbraw/zinc/82/48/39/545824839.db2.gz IMDNNYHSICFPKW-QEJZJMRPSA-N -1 1 313.405 2.622 20 0 DFADMM COc1cc(C(=O)N[C@H](C)C[C@H]2CCOC2)cc(Cl)c1[O-] ZINC000682362351 545829978 /nfs/dbraw/zinc/82/99/78/545829978.db2.gz ACYCJFXAMQUPKT-NXEZZACHSA-N -1 1 313.781 2.599 20 0 DFADMM COc1cc(C(=O)Nc2cnn(CC3CC3)c2)cc(Cl)c1[O-] ZINC000682362526 545830076 /nfs/dbraw/zinc/83/00/76/545830076.db2.gz HYBXNXWRUGFJIH-UHFFFAOYSA-N -1 1 321.764 2.913 20 0 DFADMM COc1cc(C(=O)Nc2cc(N(C)C)ccn2)cc(Cl)c1[O-] ZINC000682363982 545830726 /nfs/dbraw/zinc/83/07/26/545830726.db2.gz SCIBQIYAOMZTDN-UHFFFAOYSA-N -1 1 321.764 2.768 20 0 DFADMM CCCCn1ncc(NC(=O)C2=C([O-])C(C)N=N2)c1C(C)C ZINC000682983777 545953970 /nfs/dbraw/zinc/95/39/70/545953970.db2.gz NGQWPHZBLRONBH-UHFFFAOYSA-N -1 1 305.382 2.796 20 0 DFADMM Cn1nc2c(c1-c1nc(-c3ccc([O-])cc3F)no1)CCCC2 ZINC000683592202 546065907 /nfs/dbraw/zinc/06/59/07/546065907.db2.gz RSXWRCWQCWONRF-UHFFFAOYSA-N -1 1 314.320 2.861 20 0 DFADMM CCCc1cc([N-]S(=O)(=O)Cc2ccccc2Cl)n[nH]1 ZINC000683708279 546079724 /nfs/dbraw/zinc/07/97/24/546079724.db2.gz YEGPBZYWEHADOM-UHFFFAOYSA-N -1 1 313.810 2.958 20 0 DFADMM Cc1cccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)c1O ZINC000683925173 546120614 /nfs/dbraw/zinc/12/06/14/546120614.db2.gz YKSSKCAAMZYQQG-UHFFFAOYSA-N -1 1 306.387 2.567 20 0 DFADMM O=C(NC1CCC(C(=O)Nc2c([O-])cccc2F)CC1)C1CC1 ZINC000684469567 546227064 /nfs/dbraw/zinc/22/70/64/546227064.db2.gz CDWJJLQBONNQCO-UHFFFAOYSA-N -1 1 320.364 2.555 20 0 DFADMM Cc1noc(C)c1CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684873806 546296524 /nfs/dbraw/zinc/29/65/24/546296524.db2.gz FXZVQEPWPFQZGB-UHFFFAOYSA-N -1 1 314.263 2.946 20 0 DFADMM COc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H]2C)c(F)c1 ZINC000684924452 546303486 /nfs/dbraw/zinc/30/34/86/546303486.db2.gz GSCVARPHUQREOP-UWVGGRQHSA-N -1 1 319.373 2.688 20 0 DFADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000684992434 546315258 /nfs/dbraw/zinc/31/52/58/546315258.db2.gz WOOMFCDGCOOBPV-BPLDGKMQSA-N -1 1 307.365 2.687 20 0 DFADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000684992437 546315276 /nfs/dbraw/zinc/31/52/76/546315276.db2.gz WOOMFCDGCOOBPV-YUELXQCFSA-N -1 1 307.365 2.687 20 0 DFADMM C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)c2ccc([O-])c(F)c2)C1 ZINC000684994432 546315418 /nfs/dbraw/zinc/31/54/18/546315418.db2.gz UFJJPEGVYJESDH-XTBFLFJDSA-N -1 1 321.392 2.933 20 0 DFADMM Cn1ncc(NC(=O)c2c(F)ccc([O-])c2F)c1C(F)F ZINC000685455935 546352683 /nfs/dbraw/zinc/35/26/83/546352683.db2.gz CJYDYJRWXUJQSI-UHFFFAOYSA-N -1 1 303.215 2.594 20 0 DFADMM CC(C)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735928670 598978527 /nfs/dbraw/zinc/97/85/27/598978527.db2.gz OYPRWYUDBAPMBJ-UHFFFAOYSA-N -1 1 308.345 2.637 20 0 DFADMM CC(C)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735928670 598978529 /nfs/dbraw/zinc/97/85/29/598978529.db2.gz OYPRWYUDBAPMBJ-UHFFFAOYSA-N -1 1 308.345 2.637 20 0 DFADMM CCc1cccc(CC)c1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736701333 598980563 /nfs/dbraw/zinc/98/05/63/598980563.db2.gz ZSJDLYHVDMBGSW-UHFFFAOYSA-N -1 1 322.372 2.639 20 0 DFADMM CCc1cccc(CC)c1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736701333 598980562 /nfs/dbraw/zinc/98/05/62/598980562.db2.gz ZSJDLYHVDMBGSW-UHFFFAOYSA-N -1 1 322.372 2.639 20 0 DFADMM Cc1cc(C)c(COC(=O)c2ccc(-c3nnn[n-]3)nc2)c(C)c1 ZINC000737245621 599139022 /nfs/dbraw/zinc/13/90/22/599139022.db2.gz GTXQTHULBZFEFT-UHFFFAOYSA-N -1 1 323.356 2.544 20 0 DFADMM Cc1cc(C)c(COC(=O)c2ccc(-c3nn[n-]n3)nc2)c(C)c1 ZINC000737245621 599139023 /nfs/dbraw/zinc/13/90/23/599139023.db2.gz GTXQTHULBZFEFT-UHFFFAOYSA-N -1 1 323.356 2.544 20 0 DFADMM FC(F)(F)CCCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000822714079 599358449 /nfs/dbraw/zinc/35/84/49/599358449.db2.gz FTCKRLCXZHUWTK-UHFFFAOYSA-N -1 1 323.282 2.564 20 0 DFADMM CC(=O)Nc1cccc2c1CCN(Cc1ccc(C(=O)[O-])cc1)C2 ZINC000819797136 597344051 /nfs/dbraw/zinc/34/40/51/597344051.db2.gz ZTRUBYPYVHGPCJ-UHFFFAOYSA-N -1 1 324.380 2.902 20 0 DFADMM O=C([O-])c1ccc(CNCc2cnc([C@H]3CCCO3)s2)cc1 ZINC000263401854 597397031 /nfs/dbraw/zinc/39/70/31/597397031.db2.gz IJSWTZPBYQLHCL-CQSZACIVSA-N -1 1 318.398 2.983 20 0 DFADMM COCc1ccccc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000821695707 607312403 /nfs/dbraw/zinc/31/24/03/607312403.db2.gz DJPFGIRFXKWSQI-UHFFFAOYSA-N -1 1 301.375 2.687 20 0 DFADMM COc1ccc(NCc2ccc(-c3nnn[n-]3)o2)c2cccnc12 ZINC000821835017 607313395 /nfs/dbraw/zinc/31/33/95/607313395.db2.gz AYIFDECTTGBTDT-UHFFFAOYSA-N -1 1 322.328 2.629 20 0 DFADMM COc1ccc(NCc2ccc(-c3nn[n-]n3)o2)c2cccnc12 ZINC000821835017 607313396 /nfs/dbraw/zinc/31/33/96/607313396.db2.gz AYIFDECTTGBTDT-UHFFFAOYSA-N -1 1 322.328 2.629 20 0 DFADMM Cc1csc([C@@H](Nc2cccc(-c3nnn[n-]3)n2)C2CC2)n1 ZINC000822409307 607327419 /nfs/dbraw/zinc/32/74/19/607327419.db2.gz PMXQCBWFQYJXGZ-LBPRGKRZSA-N -1 1 313.390 2.590 20 0 DFADMM Cc1csc([C@@H](Nc2cccc(-c3nn[n-]n3)n2)C2CC2)n1 ZINC000822409307 607327420 /nfs/dbraw/zinc/32/74/20/607327420.db2.gz PMXQCBWFQYJXGZ-LBPRGKRZSA-N -1 1 313.390 2.590 20 0 DFADMM CCCn1c2ccccc2nc1CN1CCC(C(=O)[O-])CC1 ZINC000820329962 598119361 /nfs/dbraw/zinc/11/93/61/598119361.db2.gz GTBGEEQMWAXINF-UHFFFAOYSA-N -1 1 301.390 2.743 20 0 DFADMM O=C([O-])C[C@@H]1CCCN(Cc2occc2Br)C1 ZINC000236425488 598151338 /nfs/dbraw/zinc/15/13/38/598151338.db2.gz TYQLYKXHHQUBGO-VIFPVBQESA-N -1 1 302.168 2.729 20 0 DFADMM C[C@H](CC(=O)[O-])Nc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000820089407 598217749 /nfs/dbraw/zinc/21/77/49/598217749.db2.gz PMUDNDZUMFWIPS-MCIONIFRSA-N -1 1 306.406 2.571 20 0 DFADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)c1ccc2c(c1)CCCC2 ZINC000736136810 598338588 /nfs/dbraw/zinc/33/85/88/598338588.db2.gz IPMULKLVRACOIY-NSHDSACASA-N -1 1 321.388 2.709 20 0 DFADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)c1ccc2c(c1)CCCC2 ZINC000736136810 598338590 /nfs/dbraw/zinc/33/85/90/598338590.db2.gz IPMULKLVRACOIY-NSHDSACASA-N -1 1 321.388 2.709 20 0 DFADMM C[C@H](CC(C)(C)c1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC000735985091 598348421 /nfs/dbraw/zinc/34/84/21/598348421.db2.gz IWCRLVOXTUMKNM-GFCCVEGCSA-N -1 1 323.404 2.825 20 0 DFADMM C[C@H](CC(C)(C)c1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC000735985091 598348423 /nfs/dbraw/zinc/34/84/23/598348423.db2.gz IWCRLVOXTUMKNM-GFCCVEGCSA-N -1 1 323.404 2.825 20 0 DFADMM Cc1ccc(CN(C)c2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000737343514 598571397 /nfs/dbraw/zinc/57/13/97/598571397.db2.gz ZPBHBQRJGRRNTP-UHFFFAOYSA-N -1 1 314.780 2.860 20 0 DFADMM Cc1ccc(CN(C)c2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000737343514 598571398 /nfs/dbraw/zinc/57/13/98/598571398.db2.gz ZPBHBQRJGRRNTP-UHFFFAOYSA-N -1 1 314.780 2.860 20 0 DFADMM C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1ccccn1 ZINC000736136480 598592096 /nfs/dbraw/zinc/59/20/96/598592096.db2.gz FOEJXDDEIUZMDB-ZCFIWIBFSA-N -1 1 307.770 2.545 20 0 DFADMM C[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1ccccn1 ZINC000736136480 598592098 /nfs/dbraw/zinc/59/20/98/598592098.db2.gz FOEJXDDEIUZMDB-ZCFIWIBFSA-N -1 1 307.770 2.545 20 0 DFADMM CC(C)CCn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000735818586 598720564 /nfs/dbraw/zinc/72/05/64/598720564.db2.gz NKILDQOCGFKPGA-UHFFFAOYSA-N -1 1 317.780 2.881 20 0 DFADMM FC(F)(F)CCCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000822714079 599358446 /nfs/dbraw/zinc/35/84/46/599358446.db2.gz FTCKRLCXZHUWTK-UHFFFAOYSA-N -1 1 323.282 2.564 20 0 DFADMM FC(F)Oc1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000822737229 599410532 /nfs/dbraw/zinc/41/05/32/599410532.db2.gz RICWIZBJMHDGEQ-UHFFFAOYSA-N -1 1 307.260 2.673 20 0 DFADMM FC(F)Oc1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000822737229 599410535 /nfs/dbraw/zinc/41/05/35/599410535.db2.gz RICWIZBJMHDGEQ-UHFFFAOYSA-N -1 1 307.260 2.673 20 0 DFADMM CCc1cccc2c1OCC[C@H]2Nc1cccc(-c2nnn[n-]2)n1 ZINC000736694983 599425131 /nfs/dbraw/zinc/42/51/31/599425131.db2.gz FURZKYRCEJPITP-CYBMUJFWSA-N -1 1 322.372 2.760 20 0 DFADMM CCc1cccc2c1OCC[C@H]2Nc1cccc(-c2nn[n-]n2)n1 ZINC000736694983 599425134 /nfs/dbraw/zinc/42/51/34/599425134.db2.gz FURZKYRCEJPITP-CYBMUJFWSA-N -1 1 322.372 2.760 20 0 DFADMM CC(C)(CNc1cccc(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC000735671272 599440339 /nfs/dbraw/zinc/44/03/39/599440339.db2.gz QQUDJWVOIKAHSG-UHFFFAOYSA-N -1 1 312.352 2.791 20 0 DFADMM CC(C)(CNc1cccc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC000735671272 599440342 /nfs/dbraw/zinc/44/03/42/599440342.db2.gz QQUDJWVOIKAHSG-UHFFFAOYSA-N -1 1 312.352 2.791 20 0 DFADMM CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1cccc(-c2nnn[n-]2)n1 ZINC000735595043 599440450 /nfs/dbraw/zinc/44/04/50/599440450.db2.gz DJULKDCCLLTKDG-BXUZGUMPSA-N -1 1 316.409 2.515 20 0 DFADMM CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1cccc(-c2nn[n-]n2)n1 ZINC000735595043 599440454 /nfs/dbraw/zinc/44/04/54/599440454.db2.gz DJULKDCCLLTKDG-BXUZGUMPSA-N -1 1 316.409 2.515 20 0 DFADMM CC[C@@](C)(NCc1ccc(-c2nnn[n-]2)o1)c1nc(C)cs1 ZINC000820853729 599447284 /nfs/dbraw/zinc/44/72/84/599447284.db2.gz OOFDYDYORVPHHB-CQSZACIVSA-N -1 1 318.406 2.640 20 0 DFADMM C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1cccc(O)c1 ZINC000820461009 599516115 /nfs/dbraw/zinc/51/61/15/599516115.db2.gz DMEFVKQUIBQPJX-ZCFIWIBFSA-N -1 1 322.781 2.855 20 0 DFADMM C[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1cccc(O)c1 ZINC000820461009 599516117 /nfs/dbraw/zinc/51/61/17/599516117.db2.gz DMEFVKQUIBQPJX-ZCFIWIBFSA-N -1 1 322.781 2.855 20 0 DFADMM CSCC[C@H](C)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821962512 599563800 /nfs/dbraw/zinc/56/38/00/599563800.db2.gz RCCJMMKZBZVWDT-JTQLQIEISA-N -1 1 314.418 2.968 20 0 DFADMM CSCC[C@H](C)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821962512 599563802 /nfs/dbraw/zinc/56/38/02/599563802.db2.gz RCCJMMKZBZVWDT-JTQLQIEISA-N -1 1 314.418 2.968 20 0 DFADMM Cc1cccc(C)c1COC(=O)c1sccc1-c1nn[n-]n1 ZINC000737388780 599605755 /nfs/dbraw/zinc/60/57/55/599605755.db2.gz FLEATYQQUPQQSQ-UHFFFAOYSA-N -1 1 314.370 2.902 20 0 DFADMM COc1ccc([C@@H](NCc2cccnc2Cl)C(=O)[O-])cc1 ZINC000737969937 599859121 /nfs/dbraw/zinc/85/91/21/599859121.db2.gz MTSZLAFCEQHKFO-CYBMUJFWSA-N -1 1 306.749 2.659 20 0 DFADMM CC(C)(NCC(=O)N(C1CCCCC1)C1CCCCC1)C(=O)[O-] ZINC000736339825 599925857 /nfs/dbraw/zinc/92/58/57/599925857.db2.gz XBQRIJKEDNOFMN-UHFFFAOYSA-N -1 1 324.465 2.933 20 0 DFADMM CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2cccc(C(=O)[O-])c2)C1 ZINC000263457447 599992411 /nfs/dbraw/zinc/99/24/11/599992411.db2.gz HTPNPHSHKWEGEJ-OAHLLOKOSA-N -1 1 318.417 2.512 20 0 DFADMM CSCC[C@H](C)N(C)CC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000738188246 600218881 /nfs/dbraw/zinc/21/88/81/600218881.db2.gz ZUXLIXLDNSYPSD-LBPRGKRZSA-N -1 1 324.446 2.705 20 0 DFADMM CC[C@H]1CCCN(CC(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC000736939471 600319382 /nfs/dbraw/zinc/31/93/82/600319382.db2.gz OJJKKJBBRANUIJ-ZDUSSCGKSA-N -1 1 304.390 2.835 20 0 DFADMM COc1ncccc1CN[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000738145472 600421388 /nfs/dbraw/zinc/42/13/88/600421388.db2.gz IDAUSMOPFLVZAA-CYBMUJFWSA-N -1 1 306.749 2.659 20 0 DFADMM Cc1ccc(-c2n[nH]cc2CNCc2ccc(C(=O)[O-])o2)o1 ZINC000738493736 600524239 /nfs/dbraw/zinc/52/42/39/600524239.db2.gz XXQMDYODLNUZMW-UHFFFAOYSA-N -1 1 301.302 2.559 20 0 DFADMM CC[C@](C)(NCC(=O)Nc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000736862938 600563795 /nfs/dbraw/zinc/56/37/95/600563795.db2.gz HBSQKRMGAVWCGJ-KRWDZBQOSA-N -1 1 306.406 2.766 20 0 DFADMM CC(C)N(CCC(=O)[O-])CN1C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000826946576 600712727 /nfs/dbraw/zinc/71/27/27/600712727.db2.gz CCYQAGXWOOZLSN-AWEZNQCLSA-N -1 1 324.808 2.756 20 0 DFADMM C/C(=C/CSc1nc(-c2cc(F)cc(F)c2)n[nH]1)C(=O)[O-] ZINC000825792763 600729091 /nfs/dbraw/zinc/72/90/91/600729091.db2.gz IMXQMECFWNEQEL-UQCOIBPSSA-N -1 1 311.313 2.873 20 0 DFADMM C[C@@H](C(=O)OCc1ccc(F)cc1C(=O)[O-])N1[C@H](C)CC[C@@H]1C ZINC000736761334 600736818 /nfs/dbraw/zinc/73/68/18/600736818.db2.gz HHGBHIOYZHEDHF-TUAOUCFPSA-N -1 1 323.364 2.828 20 0 DFADMM CC[C@@H]1CCCN([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000829125284 600792762 /nfs/dbraw/zinc/79/27/62/600792762.db2.gz KATSGWMKOMJRSQ-DGCLKSJQSA-N -1 1 322.430 2.674 20 0 DFADMM O=C([O-])c1ccc(CNCc2ccc(OCC(F)F)cc2)o1 ZINC000756280617 600809158 /nfs/dbraw/zinc/80/91/58/600809158.db2.gz BVLLCKSTDKVPPE-UHFFFAOYSA-N -1 1 311.284 2.912 20 0 DFADMM C[C@@H](c1nnc(-c2ccccc2)o1)N1CCC[C@H](C(=O)[O-])C1 ZINC000736727119 600845483 /nfs/dbraw/zinc/84/54/83/600845483.db2.gz CXAPBNKFTFWVTN-AAEUAGOBSA-N -1 1 301.346 2.594 20 0 DFADMM CCc1[nH]ncc1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000737247840 600933322 /nfs/dbraw/zinc/93/33/22/600933322.db2.gz PUDITPPHZZJQLL-UHFFFAOYSA-N -1 1 301.346 2.587 20 0 DFADMM CC(C)c1cccc(S(=O)(=O)Nc2cnccc2C(=O)[O-])c1 ZINC000827134297 600983514 /nfs/dbraw/zinc/98/35/14/600983514.db2.gz PWNVWWBJTCQHSZ-UHFFFAOYSA-N -1 1 320.370 2.704 20 0 DFADMM COc1ccc(CN(C)Cc2cccc(C(=O)[O-])c2)cc1O ZINC000820832097 601010100 /nfs/dbraw/zinc/01/01/00/601010100.db2.gz CTMLEHPTDQWOKL-UHFFFAOYSA-N -1 1 301.342 2.731 20 0 DFADMM CC(C)c1ccc(NC(=O)CN[C@@](C)(C(=O)[O-])C2CC2)cc1 ZINC000827125128 601036477 /nfs/dbraw/zinc/03/64/77/601036477.db2.gz XUJADQZTFXMJPY-QGZVFWFLSA-N -1 1 304.390 2.591 20 0 DFADMM Cc1[nH]c(C(=O)CN2CCC3(CCCC3)C2)c(C)c1C(=O)[O-] ZINC000832844710 601038937 /nfs/dbraw/zinc/03/89/37/601038937.db2.gz VQIRWMYORUYTMU-UHFFFAOYSA-N -1 1 304.390 2.779 20 0 DFADMM COc1ccc([C@@H](NCc2ccncc2Cl)C(=O)[O-])cc1 ZINC000832252867 601115234 /nfs/dbraw/zinc/11/52/34/601115234.db2.gz SSQPYJMQAAAWMF-CQSZACIVSA-N -1 1 306.749 2.659 20 0 DFADMM O=C([O-])c1ccc(-c2nc(CSc3c[nH]nn3)cs2)cc1 ZINC000833308129 601349659 /nfs/dbraw/zinc/34/96/59/601349659.db2.gz MCBUDQCQSOWFOL-UHFFFAOYSA-N -1 1 318.383 2.919 20 0 DFADMM CC(C)[C@H](C)NC(=O)CN1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000826680893 601430238 /nfs/dbraw/zinc/43/02/38/601430238.db2.gz KINLHKKLXPCPLW-IMJJTQAJSA-N -1 1 324.465 2.503 20 0 DFADMM CCC(C)(C)NC(=O)CN1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000828612062 601430392 /nfs/dbraw/zinc/43/03/92/601430392.db2.gz NCPLOUBSDWZGLT-GJZGRUSLSA-N -1 1 324.465 2.647 20 0 DFADMM Cc1cccc(C(C)C)c1NC(=O)CN1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000832965372 601500390 /nfs/dbraw/zinc/50/03/90/601500390.db2.gz AHUBCERLXMLDDT-HIFRSBDPSA-N -1 1 318.417 2.709 20 0 DFADMM C[C@H]1CN(Cc2csc(Br)c2)C[C@H]1C(=O)[O-] ZINC000251632813 601508931 /nfs/dbraw/zinc/50/89/31/601508931.db2.gz FNARQQITQGJOHE-IONNQARKSA-N -1 1 304.209 2.663 20 0 DFADMM C[C@H](c1nc(-c2cccs2)no1)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828422793 601529832 /nfs/dbraw/zinc/52/98/32/601529832.db2.gz JKVJEZOODVGVEA-BBBLOLIVSA-N -1 1 307.375 2.512 20 0 DFADMM C[C@H]1CN(Cc2nc3ccccc3n2C(F)F)C[C@@H]1C(=O)[O-] ZINC000828464882 601534457 /nfs/dbraw/zinc/53/44/57/601534457.db2.gz VXXLKRJZFNRSGE-UWVGGRQHSA-N -1 1 309.316 2.584 20 0 DFADMM CC[C@@](C)(CC(=O)[O-])NCc1nc(-c2ccc(F)cc2)no1 ZINC000828672973 601557111 /nfs/dbraw/zinc/55/71/11/601557111.db2.gz YNYCWSOFDFSGPG-HNNXBMFYSA-N -1 1 307.325 2.609 20 0 DFADMM COC(=O)c1coc(CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000831467304 601653837 /nfs/dbraw/zinc/65/38/37/601653837.db2.gz WABOGQUVNLPTIX-NHYWBVRUSA-N -1 1 317.341 2.618 20 0 DFADMM C[C@@H](C(=O)[O-])[C@@H](NCc1nccn1C(F)F)c1ccccc1 ZINC000826054818 601655537 /nfs/dbraw/zinc/65/55/37/601655537.db2.gz QTZFETCJTOZWHT-ZWNOBZJWSA-N -1 1 309.316 2.830 20 0 DFADMM Cc1cc(F)cc2c1N(Cc1ccnc(-c3nnn[n-]3)c1)CCC2 ZINC000826268296 607522519 /nfs/dbraw/zinc/52/25/19/607522519.db2.gz RVRCCZNNKKVBPE-UHFFFAOYSA-N -1 1 324.363 2.662 20 0 DFADMM Cc1cc(F)cc2c1N(Cc1ccnc(-c3nn[n-]n3)c1)CCC2 ZINC000826268296 607522520 /nfs/dbraw/zinc/52/25/20/607522520.db2.gz RVRCCZNNKKVBPE-UHFFFAOYSA-N -1 1 324.363 2.662 20 0 DFADMM C[C@H]1CSc2ccccc2N1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000825013015 607523014 /nfs/dbraw/zinc/52/30/14/607523014.db2.gz NHLWYKAUUNRUOX-NSHDSACASA-N -1 1 324.413 2.763 20 0 DFADMM C[C@H]1CSc2ccccc2N1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000825013015 607523015 /nfs/dbraw/zinc/52/30/15/607523015.db2.gz NHLWYKAUUNRUOX-NSHDSACASA-N -1 1 324.413 2.763 20 0 DFADMM CC(C)[C@H](C(=O)OCc1ccc(C(=O)[O-])c(F)c1)N1CCCC1 ZINC000826677640 601730602 /nfs/dbraw/zinc/73/06/02/601730602.db2.gz WHSNNGPAWHXTGW-OAHLLOKOSA-N -1 1 323.364 2.688 20 0 DFADMM CCCCN1C(=O)N=NC1SCc1ccsc1C(=O)[O-] ZINC000829447505 601806631 /nfs/dbraw/zinc/80/66/31/601806631.db2.gz NQCFJOQXECJRNJ-UHFFFAOYSA-N -1 1 313.404 2.836 20 0 DFADMM COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccsc1C(=O)[O-] ZINC000831099417 601807992 /nfs/dbraw/zinc/80/79/92/601807992.db2.gz GKPDZAHURACZBG-RTXFEEFZSA-N -1 1 323.414 2.752 20 0 DFADMM CC(C)c1cccc(NC(=O)CN[C@@H](C(=O)[O-])C(C)(C)C)c1 ZINC000827134109 601874029 /nfs/dbraw/zinc/87/40/29/601874029.db2.gz DRZKECOZFIRUMD-HNNXBMFYSA-N -1 1 306.406 2.837 20 0 DFADMM Fc1ccc(CSCc2ccnc(-c3nnn[n-]3)c2)cc1F ZINC000826374683 607533156 /nfs/dbraw/zinc/53/31/56/607533156.db2.gz JFKDJEUXVPBARY-UHFFFAOYSA-N -1 1 319.340 2.973 20 0 DFADMM Fc1ccc(CSCc2ccnc(-c3nn[n-]n3)c2)cc1F ZINC000826374683 607533158 /nfs/dbraw/zinc/53/31/58/607533158.db2.gz JFKDJEUXVPBARY-UHFFFAOYSA-N -1 1 319.340 2.973 20 0 DFADMM Fc1cccc(CSCc2ccnc(-c3nnn[n-]3)c2)c1F ZINC000826377125 607533522 /nfs/dbraw/zinc/53/35/22/607533522.db2.gz GCCXRBYRHGHKJI-UHFFFAOYSA-N -1 1 319.340 2.973 20 0 DFADMM Fc1cccc(CSCc2ccnc(-c3nn[n-]n3)c2)c1F ZINC000826377125 607533523 /nfs/dbraw/zinc/53/35/23/607533523.db2.gz GCCXRBYRHGHKJI-UHFFFAOYSA-N -1 1 319.340 2.973 20 0 DFADMM C[C@H](c1ccc(F)c(F)c1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000091133090 601917940 /nfs/dbraw/zinc/91/79/40/601917940.db2.gz LLGZEYJQFFIGMM-KOLCDFICSA-N -1 1 301.358 2.918 20 0 DFADMM O=C([O-])NC[C@@H]1CCN(Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000740646881 601949564 /nfs/dbraw/zinc/94/95/64/601949564.db2.gz SGZJDWPGMSQDFU-NSHDSACASA-N -1 1 319.336 2.570 20 0 DFADMM Cn1cc(CN[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)cn1 ZINC000833045675 601974860 /nfs/dbraw/zinc/97/48/60/601974860.db2.gz FXJLGURKQNXFNQ-LBPRGKRZSA-N -1 1 314.172 2.642 20 0 DFADMM O=C([O-])Nc1ccc(OC(=O)[C@H]2CCCc3[nH]ncc32)cc1 ZINC000833290850 601980724 /nfs/dbraw/zinc/98/07/24/601980724.db2.gz WRACGZYWPJBSSW-NSHDSACASA-N -1 1 301.302 2.525 20 0 DFADMM CCN1CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC000829770448 602031413 /nfs/dbraw/zinc/03/14/13/602031413.db2.gz KGPOXXKJBNYOLE-ZDUSSCGKSA-N -1 1 317.216 2.757 20 0 DFADMM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC(N2CCCCC2=O)CC1 ZINC000827928610 602056548 /nfs/dbraw/zinc/05/65/48/602056548.db2.gz KOBIPQGDXUUWHP-GFCCVEGCSA-N -1 1 320.389 2.516 20 0 DFADMM C[C@H](CC(=O)[O-])C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000827310037 602081580 /nfs/dbraw/zinc/08/15/80/602081580.db2.gz FLIZHGCLTIYULN-SECBINFHSA-N -1 1 303.362 2.910 20 0 DFADMM CC1(CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)CCCCC1 ZINC000824816474 607806052 /nfs/dbraw/zinc/80/60/52/607806052.db2.gz DTRSBGWHCQJBQX-UHFFFAOYSA-N -1 1 315.377 2.665 20 0 DFADMM CC1(CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)CCCCC1 ZINC000824816474 607806053 /nfs/dbraw/zinc/80/60/53/607806053.db2.gz DTRSBGWHCQJBQX-UHFFFAOYSA-N -1 1 315.377 2.665 20 0 DFADMM C[C@@H](CC(=O)[O-])C(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000827273818 602158505 /nfs/dbraw/zinc/15/85/05/602158505.db2.gz UOMHDGRHNFWTJY-YUMQZZPRSA-N -1 1 309.753 2.504 20 0 DFADMM Cc1cccc(Cl)c1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000826298107 607552206 /nfs/dbraw/zinc/55/22/06/607552206.db2.gz DPDVJFFZZDFWAQ-UHFFFAOYSA-N -1 1 300.753 2.836 20 0 DFADMM Cc1cccc(Cl)c1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000826298107 607552207 /nfs/dbraw/zinc/55/22/07/607552207.db2.gz DPDVJFFZZDFWAQ-UHFFFAOYSA-N -1 1 300.753 2.836 20 0 DFADMM CC[C@@](C)(CC(=O)[O-])NCc1nc(-c2ccccc2C)no1 ZINC000828672005 602215999 /nfs/dbraw/zinc/21/59/99/602215999.db2.gz KDLZMDCXPXPAEK-INIZCTEOSA-N -1 1 303.362 2.778 20 0 DFADMM CC[C@@]1(C)CCN([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000829050933 602241354 /nfs/dbraw/zinc/24/13/54/602241354.db2.gz XZRYUMFGWIAOHN-WBMJQRKESA-N -1 1 322.430 2.674 20 0 DFADMM Cc1cc(C[N@@H+]2CCC[C@H]2c2cn(C)nc2C)oc1C(=O)[O-] ZINC000832883007 602344608 /nfs/dbraw/zinc/34/46/08/602344608.db2.gz OZQDGRZULRBLIE-AWEZNQCLSA-N -1 1 303.362 2.665 20 0 DFADMM Cc1cc(CN2CCC[C@H]2c2cn(C)nc2C)oc1C(=O)[O-] ZINC000832883007 602344609 /nfs/dbraw/zinc/34/46/09/602344609.db2.gz OZQDGRZULRBLIE-AWEZNQCLSA-N -1 1 303.362 2.665 20 0 DFADMM CCN1CCCC[C@@H]1C(=O)Nc1ccc(OC)c(NC(=O)[O-])c1 ZINC000739453150 602452988 /nfs/dbraw/zinc/45/29/88/602452988.db2.gz CTJOCKAVOXUQGF-CYBMUJFWSA-N -1 1 321.377 2.598 20 0 DFADMM O=C([O-])NCc1cccc(NC(=O)c2cnc3[nH]cccc2-3)c1 ZINC000740679318 602515734 /nfs/dbraw/zinc/51/57/34/602515734.db2.gz AZISDPCQULANKP-UHFFFAOYSA-N -1 1 310.313 2.583 20 0 DFADMM CN(C[C@@H]1CCN(Cn2c3ccccc3oc2=S)C1)C(=O)[O-] ZINC000739664811 602526294 /nfs/dbraw/zinc/52/62/94/602526294.db2.gz PIBPOMBHQUTFSF-NSHDSACASA-N -1 1 321.402 2.853 20 0 DFADMM Cc1csc(CN2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)n1 ZINC000830666538 603524045 /nfs/dbraw/zinc/52/40/45/603524045.db2.gz GYWIQNQVHYAPPW-OLZOCXBDSA-N -1 1 309.435 2.806 20 0 DFADMM CCn1ncc2c1CCC[C@@H]2NCc1ccc(NC(=O)[O-])nc1 ZINC000827724436 603557578 /nfs/dbraw/zinc/55/75/78/603557578.db2.gz MMTBTGPSIVIORX-ZDUSSCGKSA-N -1 1 315.377 2.555 20 0 DFADMM Cn1cc([C@H](NCc2ccc(NC(=O)[O-])nc2)C(C)(C)C)cn1 ZINC000830995335 603561411 /nfs/dbraw/zinc/56/14/11/603561411.db2.gz ZEBXYVFBVQEKDF-AWEZNQCLSA-N -1 1 317.393 2.782 20 0 DFADMM O=C([O-])NCc1ccc(C(=O)Nc2cccc(Cl)c2O)o1 ZINC000832706531 603614413 /nfs/dbraw/zinc/61/44/13/603614413.db2.gz ZCJWAVINPIRSHZ-UHFFFAOYSA-N -1 1 310.693 2.659 20 0 DFADMM COc1cc(NC(=O)CN2[C@H](C)CC[C@@H]2C)ccc1NC(=O)[O-] ZINC000829153518 603665353 /nfs/dbraw/zinc/66/53/53/603665353.db2.gz GZNABVJVCCGUMI-PHIMTYICSA-N -1 1 321.377 2.596 20 0 DFADMM O=C([O-])NCC1(C(=O)Nc2cccc(Cl)c2O)CCCC1 ZINC000832447823 603801445 /nfs/dbraw/zinc/80/14/45/603801445.db2.gz VHYHHEWTHZYQIG-UHFFFAOYSA-N -1 1 312.753 2.812 20 0 DFADMM CN(C(=O)[O-])[C@H]1CCN(Cc2cnc(-c3ccccc3)s2)C1 ZINC000827889140 603810623 /nfs/dbraw/zinc/81/06/23/603810623.db2.gz DNDCJINGNQWSNY-ZDUSSCGKSA-N -1 1 317.414 2.994 20 0 DFADMM CN(C[C@H]1CCCN1Cc1cc(-c2ccccc2)no1)C(=O)[O-] ZINC000828222946 604101389 /nfs/dbraw/zinc/10/13/89/604101389.db2.gz FNIPANLNGPZHQY-CQSZACIVSA-N -1 1 315.373 2.916 20 0 DFADMM Cc1ccc2nc(CN3CCC[C@@H]([C@@H](C)NC(=O)[O-])C3)cn2c1 ZINC000830453575 604191771 /nfs/dbraw/zinc/19/17/71/604191771.db2.gz KFZHTMUHWQPQJA-ZIAGYGMSSA-N -1 1 316.405 2.511 20 0 DFADMM Cc1cccc(CN2CCC(N(CC3CC3)C(=O)[O-])CC2)n1 ZINC000830497009 604236463 /nfs/dbraw/zinc/23/64/63/604236463.db2.gz AACIRBYLAWWKRR-UHFFFAOYSA-N -1 1 303.406 2.744 20 0 DFADMM Fc1cccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)n1 ZINC000826376756 607681822 /nfs/dbraw/zinc/68/18/22/607681822.db2.gz QNDFFWGIQWIGCU-UHFFFAOYSA-N -1 1 321.319 2.561 20 0 DFADMM Fc1cccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)n1 ZINC000826376756 607681824 /nfs/dbraw/zinc/68/18/24/607681824.db2.gz QNDFFWGIQWIGCU-UHFFFAOYSA-N -1 1 321.319 2.561 20 0 DFADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000832848490 604312967 /nfs/dbraw/zinc/31/29/67/604312967.db2.gz FXFUVMZTNKLYMD-UHFFFAOYSA-N -1 1 319.264 2.749 20 0 DFADMM C[C@H](NCc1ccc(C(=O)[O-])o1)c1ccc([S@](C)=O)cc1 ZINC000827741890 604330525 /nfs/dbraw/zinc/33/05/25/604330525.db2.gz WNCUXIZIRLHLRC-CWKPULSASA-N -1 1 307.371 2.566 20 0 DFADMM CC(C)(CC(=O)[O-])NCc1nnc(-c2cccc(Cl)c2)o1 ZINC000826542219 604442508 /nfs/dbraw/zinc/44/25/08/604442508.db2.gz NOVMMVGKXJQEIH-UHFFFAOYSA-N -1 1 309.753 2.733 20 0 DFADMM CC(C)(C)Oc1cccc(CNCc2c[nH]c(C(=O)[O-])c2)n1 ZINC000833447630 604472214 /nfs/dbraw/zinc/47/22/14/604472214.db2.gz YSTCBWICNRLYCK-UHFFFAOYSA-N -1 1 303.362 2.575 20 0 DFADMM COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000833701435 604479285 /nfs/dbraw/zinc/47/92/85/604479285.db2.gz KCSCTHGHFZJCRB-XHSDSOJGSA-N -1 1 317.385 2.721 20 0 DFADMM C/C(=C/CN(CCO)Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000833382764 604498971 /nfs/dbraw/zinc/49/89/71/604498971.db2.gz LMYPLMMKADTMEU-WMZJFQQLSA-N -1 1 318.200 2.819 20 0 DFADMM O=C([O-])CCCCCCCNC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000833225333 604510603 /nfs/dbraw/zinc/51/06/03/604510603.db2.gz RRLHEICXSQFIIW-CYBMUJFWSA-N -1 1 322.409 2.512 20 0 DFADMM C[C@H](Oc1ccc(CN2CCOC(C)(C)[C@H]2C)cc1)C(=O)[O-] ZINC000833538587 604655223 /nfs/dbraw/zinc/65/52/23/604655223.db2.gz DMZVJSGFWVTIRD-QWHCGFSZSA-N -1 1 307.390 2.538 20 0 DFADMM C[C@H](Oc1ccc(CN2CCOC(C)(C)[C@@H]2C)cc1)C(=O)[O-] ZINC000833538588 604655506 /nfs/dbraw/zinc/65/55/06/604655506.db2.gz DMZVJSGFWVTIRD-STQMWFEESA-N -1 1 307.390 2.538 20 0 DFADMM O=C(OCCCCC(F)(F)F)c1sccc1-c1nn[n-]n1 ZINC000826463424 607706337 /nfs/dbraw/zinc/70/63/37/607706337.db2.gz FTPGWZUJLIMTND-UHFFFAOYSA-N -1 1 320.296 2.818 20 0 DFADMM O=C([O-])[C@H]1CCCN1C(=O)c1cc(Cl)c2ccccc2c1O ZINC000833772477 604702732 /nfs/dbraw/zinc/70/27/32/604702732.db2.gz XLRAGJTWJMXTNI-CYBMUJFWSA-N -1 1 319.744 2.888 20 0 DFADMM C/C(=C/CN1CCN([C@H](C)c2cccc(F)c2)CC1)C(=O)[O-] ZINC000833385514 604717255 /nfs/dbraw/zinc/71/72/55/604717255.db2.gz VYLQAAUSKKBNKH-CNTYAEFGSA-N -1 1 306.381 2.535 20 0 DFADMM CC(C)c1ccc(NC(=O)CN(C[C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC000827450295 604742555 /nfs/dbraw/zinc/74/25/55/604742555.db2.gz VAZSRJAWLGQHAR-CYBMUJFWSA-N -1 1 318.417 2.934 20 0 DFADMM COc1ccccc1[C@H](CN[C@H](C)c1ccco1)NC(=O)[O-] ZINC000829597270 604760034 /nfs/dbraw/zinc/76/00/34/604760034.db2.gz GJDWLSPSELOEPN-YPMHNXCESA-N -1 1 304.346 2.948 20 0 DFADMM CC[C@H]1CC(=O)N(CN(CCCC(=O)[O-])Cc2ccccc2)C1 ZINC000829074558 604763391 /nfs/dbraw/zinc/76/33/91/604763391.db2.gz HHIQAIBUGBDKCE-HNNXBMFYSA-N -1 1 318.417 2.569 20 0 DFADMM Cc1cc(N2CC[C@H](CNC(=O)[O-])C2)c2cc(F)ccc2n1 ZINC000830073498 604882814 /nfs/dbraw/zinc/88/28/14/604882814.db2.gz SFGYWVXDSFWQFO-LLVKDONJSA-N -1 1 303.337 2.776 20 0 DFADMM CC(C)c1nc([C@@H](C)NC(=O)Nc2cc(C(=O)[O-])cs2)n[nH]1 ZINC000833512323 605020858 /nfs/dbraw/zinc/02/08/58/605020858.db2.gz LTXKSNAABZHMLC-SSDOTTSWSA-N -1 1 323.378 2.571 20 0 DFADMM CCc1oc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)cc1C ZINC000833677689 605061503 /nfs/dbraw/zinc/06/15/03/605061503.db2.gz CBZIAILDPUAJFV-UHFFFAOYSA-N -1 1 313.313 2.977 20 0 DFADMM C[C@H](NCCN(C(=O)[O-])C1CCCCCC1)c1cnccn1 ZINC000825495607 605114755 /nfs/dbraw/zinc/11/47/55/605114755.db2.gz HQBBGYWDFCPZSH-ZDUSSCGKSA-N -1 1 306.410 2.830 20 0 DFADMM CC(C)(C(=O)[O-])[C@@H](NCc1cn2cccnc2n1)c1ccccc1 ZINC000833414062 605182862 /nfs/dbraw/zinc/18/28/62/605182862.db2.gz LBLSSFXMXPFJDC-HNNXBMFYSA-N -1 1 324.384 2.671 20 0 DFADMM CC(C)(NCCOc1ccccc1C(=O)[O-])c1nccs1 ZINC000183932974 605214215 /nfs/dbraw/zinc/21/42/15/605214215.db2.gz WIHSWZSGOAFUTK-UHFFFAOYSA-N -1 1 306.387 2.745 20 0 DFADMM CC1=C(C(=O)[O-])C[C@H](CN2CCOC3(C2)CCCCCC3)O1 ZINC000833580067 605356317 /nfs/dbraw/zinc/35/63/17/605356317.db2.gz PBCNQYSEMVZRPJ-CQSZACIVSA-N -1 1 309.406 2.559 20 0 DFADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCOc3ccccc3[C@H]2C)O1 ZINC000833578321 605360011 /nfs/dbraw/zinc/36/00/11/605360011.db2.gz KDPUQHWNYGKEIJ-YPMHNXCESA-N -1 1 303.358 2.590 20 0 DFADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cc3csc(C4CC4)n3)C[C@H]21 ZINC000834181947 605459417 /nfs/dbraw/zinc/45/94/17/605459417.db2.gz MSJPSRDVXBVVED-MRVWCRGKSA-N -1 1 321.446 2.889 20 0 DFADMM CCCN(Cc1noc2c1CCCC2)C1CCN(C(=O)[O-])CC1 ZINC000826916248 605474750 /nfs/dbraw/zinc/47/47/50/605474750.db2.gz GXTNUEWFHWEVFP-UHFFFAOYSA-N -1 1 321.421 2.908 20 0 DFADMM O=C([O-])NC[C@H]1CCCN(Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000834221420 605555511 /nfs/dbraw/zinc/55/55/11/605555511.db2.gz SSAUKRJDHQFBCD-CYBMUJFWSA-N -1 1 314.389 2.556 20 0 DFADMM O=C([O-])Nc1ccc(CN(CCCO)Cc2ccccc2)cn1 ZINC000834258635 605588053 /nfs/dbraw/zinc/58/80/53/605588053.db2.gz ICQNLXRMQFNBTI-UHFFFAOYSA-N -1 1 315.373 2.556 20 0 DFADMM O=C([O-])N1CCC[C@H](NCc2coc(-c3cccs3)n2)C1 ZINC000834108160 605590445 /nfs/dbraw/zinc/59/04/45/605590445.db2.gz SCRCLEKDGRPKCP-JTQLQIEISA-N -1 1 307.375 2.635 20 0 DFADMM O=C([O-])NCCN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000834240940 605770980 /nfs/dbraw/zinc/77/09/80/605770980.db2.gz XUTYMOPWFUNODE-MRVPVSSYSA-N -1 1 323.340 2.609 20 0 DFADMM Cc1cccnc1CN1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000833909800 605804682 /nfs/dbraw/zinc/80/46/82/605804682.db2.gz DOIZLWOWGLFNLL-UHFFFAOYSA-N -1 1 303.406 2.744 20 0 DFADMM O=C([O-])NC[C@@H](NC1CSC1)c1ccc2ccccc2c1 ZINC000834204713 605832910 /nfs/dbraw/zinc/83/29/10/605832910.db2.gz AHVHZUQJCRZCLK-OAHLLOKOSA-N -1 1 302.399 2.854 20 0 DFADMM O=C([O-])Nc1cccc(CN[C@@H](CO)c2cccc(F)c2)c1 ZINC000834269643 605934071 /nfs/dbraw/zinc/93/40/71/605934071.db2.gz KOCDGJIBTWCZTD-HNNXBMFYSA-N -1 1 304.321 2.739 20 0 DFADMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2Cc1nc2ccccc2o1 ZINC000834094985 605966471 /nfs/dbraw/zinc/96/64/71/605966471.db2.gz JGBKRGKVLIEFBI-NEPJUHHUSA-N -1 1 301.346 2.545 20 0 DFADMM O=C([O-])N[C@H]1CCC[C@@H]1NCc1cc(-c2ccccc2)on1 ZINC000834176817 605982631 /nfs/dbraw/zinc/98/26/31/605982631.db2.gz UTZXPJJPVMPTMU-KBPBESRZSA-N -1 1 301.346 2.620 20 0 DFADMM Fc1cccc(Sc2nnc(C3CC3)s2)c1-c1nnn[n-]1 ZINC000822791012 606046880 /nfs/dbraw/zinc/04/68/80/606046880.db2.gz DEDXETFRQHACRC-UHFFFAOYSA-N -1 1 320.378 2.886 20 0 DFADMM Fc1cccc(Sc2nnc(C3CC3)s2)c1-c1nn[n-]n1 ZINC000822791012 606046884 /nfs/dbraw/zinc/04/68/84/606046884.db2.gz DEDXETFRQHACRC-UHFFFAOYSA-N -1 1 320.378 2.886 20 0 DFADMM C[C@H]1[C@@H](c2ccccc2)CCN1c1cccc(-c2nnn[n-]2)n1 ZINC000820642754 606232098 /nfs/dbraw/zinc/23/20/98/606232098.db2.gz LHNURWQKCIOMCJ-JSGCOSHPSA-N -1 1 306.373 2.644 20 0 DFADMM C[C@H]1[C@@H](c2ccccc2)CCN1c1cccc(-c2nn[n-]n2)n1 ZINC000820642754 606232100 /nfs/dbraw/zinc/23/21/00/606232100.db2.gz LHNURWQKCIOMCJ-JSGCOSHPSA-N -1 1 306.373 2.644 20 0 DFADMM CCOc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821422038 606405504 /nfs/dbraw/zinc/40/55/04/606405504.db2.gz KKRTYLMJMZJAKH-UHFFFAOYSA-N -1 1 301.375 2.939 20 0 DFADMM C[C@@H](C1CC1)n1nccc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000820219376 606416204 /nfs/dbraw/zinc/41/62/04/606416204.db2.gz FPLIPCNRMCNOKQ-VIFPVBQESA-N -1 1 315.406 2.708 20 0 DFADMM CC[C@H](CNc1cccc(-c2nnn[n-]2)n1)Oc1ccccc1C ZINC000820909622 606427440 /nfs/dbraw/zinc/42/74/40/606427440.db2.gz YWUBUIMYUVMVJR-CYBMUJFWSA-N -1 1 324.388 2.840 20 0 DFADMM CC[C@H](CNc1cccc(-c2nn[n-]n2)n1)Oc1ccccc1C ZINC000820909622 606427442 /nfs/dbraw/zinc/42/74/42/606427442.db2.gz YWUBUIMYUVMVJR-CYBMUJFWSA-N -1 1 324.388 2.840 20 0 DFADMM O=Cc1cccc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000823557246 606439142 /nfs/dbraw/zinc/43/91/42/606439142.db2.gz HQVOICNSUXTHNY-UHFFFAOYSA-N -1 1 301.693 2.520 20 0 DFADMM O=Cc1cccc(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000823557246 606439143 /nfs/dbraw/zinc/43/91/43/606439143.db2.gz HQVOICNSUXTHNY-UHFFFAOYSA-N -1 1 301.693 2.520 20 0 DFADMM Cc1ccc([C@H](C)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)o1 ZINC000822228784 606441539 /nfs/dbraw/zinc/44/15/39/606441539.db2.gz FPTVEFHKTKRVSI-QMMMGPOBSA-N -1 1 304.741 2.990 20 0 DFADMM Cc1ccc([C@H](C)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)o1 ZINC000822228784 606441540 /nfs/dbraw/zinc/44/15/40/606441540.db2.gz FPTVEFHKTKRVSI-QMMMGPOBSA-N -1 1 304.741 2.990 20 0 DFADMM Fc1cccc(CN(c2cccc(-c3nnn[n-]3)n2)C2CC2)c1 ZINC000822787048 606459617 /nfs/dbraw/zinc/45/96/17/606459617.db2.gz TVRBGCYWXLZPNB-UHFFFAOYSA-N -1 1 310.336 2.570 20 0 DFADMM Fc1cccc(CN(c2cccc(-c3nn[n-]n3)n2)C2CC2)c1 ZINC000822787048 606459619 /nfs/dbraw/zinc/45/96/19/606459619.db2.gz TVRBGCYWXLZPNB-UHFFFAOYSA-N -1 1 310.336 2.570 20 0 DFADMM C[C@H](c1ccccn1)N(C)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820569925 606462261 /nfs/dbraw/zinc/46/22/61/606462261.db2.gz AZLUOMLAELFMRH-SECBINFHSA-N -1 1 315.768 2.508 20 0 DFADMM C[C@H](c1ccccn1)N(C)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820569925 606462263 /nfs/dbraw/zinc/46/22/63/606462263.db2.gz AZLUOMLAELFMRH-SECBINFHSA-N -1 1 315.768 2.508 20 0 DFADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)c1ccncc1 ZINC000820280454 606476626 /nfs/dbraw/zinc/47/66/26/606476626.db2.gz GUAKOPOLMRNFKQ-SSDOTTSWSA-N -1 1 321.797 2.587 20 0 DFADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)c1ccncc1 ZINC000820280454 606476627 /nfs/dbraw/zinc/47/66/27/606476627.db2.gz GUAKOPOLMRNFKQ-SSDOTTSWSA-N -1 1 321.797 2.587 20 0 DFADMM CCO[C@@H]1C[C@H](Nc2cccc(-c3nnn[n-]3)n2)C1(CC)CC ZINC000821359672 606477463 /nfs/dbraw/zinc/47/74/63/606477463.db2.gz ORAPMVFWZXDPAA-QWHCGFSZSA-N -1 1 316.409 2.657 20 0 DFADMM CCO[C@@H]1C[C@H](Nc2cccc(-c3nn[n-]n3)n2)C1(CC)CC ZINC000821359672 606477465 /nfs/dbraw/zinc/47/74/65/606477465.db2.gz ORAPMVFWZXDPAA-QWHCGFSZSA-N -1 1 316.409 2.657 20 0 DFADMM O=C(Nc1cccc2cccnc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823367655 606494562 /nfs/dbraw/zinc/49/45/62/606494562.db2.gz MPPKJKKTTJUBTI-UHFFFAOYSA-N -1 1 322.353 2.729 20 0 DFADMM O=C(Nc1cccc2cccnc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823367655 606494563 /nfs/dbraw/zinc/49/45/63/606494563.db2.gz MPPKJKKTTJUBTI-UHFFFAOYSA-N -1 1 322.353 2.729 20 0 DFADMM CN(C(=O)c1ccc(-c2nnn[n-]2)s1)C1CCCCCC1 ZINC000821573550 606498621 /nfs/dbraw/zinc/49/86/21/606498621.db2.gz VHLPGOOGBWEMIE-UHFFFAOYSA-N -1 1 305.407 2.723 20 0 DFADMM CN(C(=O)c1ccc(-c2nn[n-]n2)s1)C1CCCCCC1 ZINC000821573550 606498623 /nfs/dbraw/zinc/49/86/23/606498623.db2.gz VHLPGOOGBWEMIE-UHFFFAOYSA-N -1 1 305.407 2.723 20 0 DFADMM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000820920271 606503520 /nfs/dbraw/zinc/50/35/20/606503520.db2.gz OMQHTSMKCRPTHJ-NSHDSACASA-N -1 1 313.386 2.809 20 0 DFADMM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000820920271 606503521 /nfs/dbraw/zinc/50/35/21/606503521.db2.gz OMQHTSMKCRPTHJ-NSHDSACASA-N -1 1 313.386 2.809 20 0 DFADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)s1)c1cccc(F)c1 ZINC000821160878 606506768 /nfs/dbraw/zinc/50/67/68/606506768.db2.gz RRMYIJUSULISBC-UHFFFAOYSA-N -1 1 317.349 2.734 20 0 DFADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)s1)c1cccc(F)c1 ZINC000821160878 606506769 /nfs/dbraw/zinc/50/67/69/606506769.db2.gz RRMYIJUSULISBC-UHFFFAOYSA-N -1 1 317.349 2.734 20 0 DFADMM CC(C)C[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820068292 606542701 /nfs/dbraw/zinc/54/27/01/606542701.db2.gz QFXMRIQYNPMWOL-JTQLQIEISA-N -1 1 305.407 2.579 20 0 DFADMM CC(C)C[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820068292 606542704 /nfs/dbraw/zinc/54/27/04/606542704.db2.gz QFXMRIQYNPMWOL-JTQLQIEISA-N -1 1 305.407 2.579 20 0 DFADMM CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820037509 606550102 /nfs/dbraw/zinc/55/01/02/606550102.db2.gz CMGYMKNVQQIMMV-MNOVXSKESA-N -1 1 319.434 2.873 20 0 DFADMM CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820037509 606550103 /nfs/dbraw/zinc/55/01/03/606550103.db2.gz CMGYMKNVQQIMMV-MNOVXSKESA-N -1 1 319.434 2.873 20 0 DFADMM CC(C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820038338 606550114 /nfs/dbraw/zinc/55/01/14/606550114.db2.gz MSHFFFWLSSRJKK-GHMZBOCLSA-N -1 1 319.434 2.873 20 0 DFADMM CC(C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820038338 606550116 /nfs/dbraw/zinc/55/01/16/606550116.db2.gz MSHFFFWLSSRJKK-GHMZBOCLSA-N -1 1 319.434 2.873 20 0 DFADMM CC[C@H]1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820972374 606571147 /nfs/dbraw/zinc/57/11/47/606571147.db2.gz NUKXOTBFTGDMTL-UWVGGRQHSA-N -1 1 305.407 2.627 20 0 DFADMM CC[C@H]1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820972374 606571148 /nfs/dbraw/zinc/57/11/48/606571148.db2.gz NUKXOTBFTGDMTL-UWVGGRQHSA-N -1 1 305.407 2.627 20 0 DFADMM C[C@H]1c2ccccc2CN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820827383 606580778 /nfs/dbraw/zinc/58/07/78/606580778.db2.gz SKBCZGMIWDBJKV-VIFPVBQESA-N -1 1 311.370 2.645 20 0 DFADMM C[C@H]1c2ccccc2CN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820827383 606580780 /nfs/dbraw/zinc/58/07/80/606580780.db2.gz SKBCZGMIWDBJKV-VIFPVBQESA-N -1 1 311.370 2.645 20 0 DFADMM C[C@@H]1CCC[C@@H](CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC000820697431 606646669 /nfs/dbraw/zinc/64/66/69/606646669.db2.gz HEVJALZNCMBFIL-VXGBXAGGSA-N -1 1 315.377 2.521 20 0 DFADMM C[C@@H]1CCC[C@@H](CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC000820697431 606646670 /nfs/dbraw/zinc/64/66/70/606646670.db2.gz HEVJALZNCMBFIL-VXGBXAGGSA-N -1 1 315.377 2.521 20 0 DFADMM CCCCC[C@H](C)CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821050333 606650998 /nfs/dbraw/zinc/65/09/98/606650998.db2.gz QSBOXOSJNBWLJX-LBPRGKRZSA-N -1 1 317.393 2.911 20 0 DFADMM CCCCC[C@H](C)CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821050333 606650999 /nfs/dbraw/zinc/65/09/99/606650999.db2.gz QSBOXOSJNBWLJX-LBPRGKRZSA-N -1 1 317.393 2.911 20 0 DFADMM CCC1(CC)CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000820955646 606729529 /nfs/dbraw/zinc/72/95/29/606729529.db2.gz DJFDUWAEUBFWBJ-UHFFFAOYSA-N -1 1 323.404 2.826 20 0 DFADMM CCC1(CC)CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000820955646 606729531 /nfs/dbraw/zinc/72/95/31/606729531.db2.gz DJFDUWAEUBFWBJ-UHFFFAOYSA-N -1 1 323.404 2.826 20 0 DFADMM C[C@@]1(CNc2snc(Cl)c2-c2nnn[n-]2)CCCS1 ZINC000820623057 606946279 /nfs/dbraw/zinc/94/62/79/606946279.db2.gz DEDLAEMLIDNUHT-JTQLQIEISA-N -1 1 316.843 2.674 20 0 DFADMM C[C@@]1(CNc2snc(Cl)c2-c2nn[n-]n2)CCCS1 ZINC000820623057 606946280 /nfs/dbraw/zinc/94/62/80/606946280.db2.gz DEDLAEMLIDNUHT-JTQLQIEISA-N -1 1 316.843 2.674 20 0 DFADMM CC1(C)CCC(COC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000820590049 607092959 /nfs/dbraw/zinc/09/29/59/607092959.db2.gz PTBRASCFWAILLF-UHFFFAOYSA-N -1 1 315.377 2.635 20 0 DFADMM CC1(C)CCC(COC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000820590049 607092960 /nfs/dbraw/zinc/09/29/60/607092960.db2.gz PTBRASCFWAILLF-UHFFFAOYSA-N -1 1 315.377 2.635 20 0 DFADMM CC(C)c1cc(Oc2cccc(F)c2-c2nnn[n-]2)ncn1 ZINC000824348109 607866676 /nfs/dbraw/zinc/86/66/76/607866676.db2.gz ZQFHGSKOZYFOOC-UHFFFAOYSA-N -1 1 300.297 2.712 20 0 DFADMM CC(C)c1cc(Oc2cccc(F)c2-c2nn[n-]n2)ncn1 ZINC000824348109 607866677 /nfs/dbraw/zinc/86/66/77/607866677.db2.gz ZQFHGSKOZYFOOC-UHFFFAOYSA-N -1 1 300.297 2.712 20 0 DFADMM C[C@@H](c1ccc(F)c(F)c1)N(C)c1cccc(-c2nnn[n-]2)n1 ZINC000824763068 607896469 /nfs/dbraw/zinc/89/64/69/607896469.db2.gz JYPXQYBOUFJQAA-VIFPVBQESA-N -1 1 316.315 2.737 20 0 DFADMM C[C@@H](c1ccc(F)c(F)c1)N(C)c1cccc(-c2nn[n-]n2)n1 ZINC000824763068 607896470 /nfs/dbraw/zinc/89/64/70/607896470.db2.gz JYPXQYBOUFJQAA-VIFPVBQESA-N -1 1 316.315 2.737 20 0 DFADMM CC[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1nc2ccccc2[nH]1 ZINC000825149188 607898178 /nfs/dbraw/zinc/89/81/78/607898178.db2.gz WQLSISPOBXCLES-JTQLQIEISA-N -1 1 320.360 2.701 20 0 DFADMM CC[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1nc2ccccc2[nH]1 ZINC000825149188 607898179 /nfs/dbraw/zinc/89/81/79/607898179.db2.gz WQLSISPOBXCLES-JTQLQIEISA-N -1 1 320.360 2.701 20 0 DFADMM CC(C)(C)c1csc(CNc2cccc(-c3nnn[n-]3)n2)n1 ZINC000824135856 607898589 /nfs/dbraw/zinc/89/85/89/607898589.db2.gz JEKJXZDFCCPTCV-UHFFFAOYSA-N -1 1 315.406 2.628 20 0 DFADMM CC(C)(C)c1csc(CNc2cccc(-c3nn[n-]n3)n2)n1 ZINC000824135856 607898590 /nfs/dbraw/zinc/89/85/90/607898590.db2.gz JEKJXZDFCCPTCV-UHFFFAOYSA-N -1 1 315.406 2.628 20 0 DFADMM C[C@H]1C[C@H](c2ccccc2F)N(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000824899700 607900512 /nfs/dbraw/zinc/90/05/12/607900512.db2.gz NEPKZRKPTYXHSC-XHDPSFHLSA-N -1 1 324.363 2.988 20 0 DFADMM C[C@H]1C[C@H](c2ccccc2F)N(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000824899700 607900513 /nfs/dbraw/zinc/90/05/13/607900513.db2.gz NEPKZRKPTYXHSC-XHDPSFHLSA-N -1 1 324.363 2.988 20 0 DFADMM CC(C)(COC(=O)c1ccc(-c2nnn[n-]2)nc1)C1CCCC1 ZINC000824162075 607955540 /nfs/dbraw/zinc/95/55/40/607955540.db2.gz CAQKIKYJVHIVLV-UHFFFAOYSA-N -1 1 315.377 2.635 20 0 DFADMM CC(C)(COC(=O)c1ccc(-c2nn[n-]n2)nc1)C1CCCC1 ZINC000824162075 607955541 /nfs/dbraw/zinc/95/55/41/607955541.db2.gz CAQKIKYJVHIVLV-UHFFFAOYSA-N -1 1 315.377 2.635 20 0 DFADMM CC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(Cl)cc1 ZINC000825149195 607988264 /nfs/dbraw/zinc/98/82/64/607988264.db2.gz WXZHTAKOWOJWPV-NSHDSACASA-N -1 1 315.768 2.873 20 0 DFADMM CC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(Cl)cc1 ZINC000825149195 607988265 /nfs/dbraw/zinc/98/82/65/607988265.db2.gz WXZHTAKOWOJWPV-NSHDSACASA-N -1 1 315.768 2.873 20 0 DFADMM O=C(Oc1ccc(Cl)c(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826468596 608074586 /nfs/dbraw/zinc/07/45/86/608074586.db2.gz ZKMXKLUAAXWGQG-UHFFFAOYSA-N -1 1 324.724 2.940 20 0 DFADMM O=C(Oc1ccc(Cl)c(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826468596 608074587 /nfs/dbraw/zinc/07/45/87/608074587.db2.gz ZKMXKLUAAXWGQG-UHFFFAOYSA-N -1 1 324.724 2.940 20 0 DFADMM C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1cccnc1 ZINC000824670394 608170590 /nfs/dbraw/zinc/17/05/90/608170590.db2.gz NTLKYEHUKTUQNW-ZCFIWIBFSA-N -1 1 307.770 2.545 20 0 DFADMM C[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1cccnc1 ZINC000824670394 608170591 /nfs/dbraw/zinc/17/05/91/608170591.db2.gz NTLKYEHUKTUQNW-ZCFIWIBFSA-N -1 1 307.770 2.545 20 0 DFADMM Cc1csc(Sc2snc(Cl)c2-c2nnn[n-]2)n1 ZINC000826320782 608170957 /nfs/dbraw/zinc/17/09/57/608170957.db2.gz DHJUVTZWKHOLNZ-UHFFFAOYSA-N -1 1 316.824 2.893 20 0 DFADMM Cc1csc(Sc2snc(Cl)c2-c2nn[n-]n2)n1 ZINC000826320782 608170959 /nfs/dbraw/zinc/17/09/59/608170959.db2.gz DHJUVTZWKHOLNZ-UHFFFAOYSA-N -1 1 316.824 2.893 20 0 DFADMM CC(C)(C)n1cc(Nc2snc(Cl)c2-c2nnn[n-]2)cn1 ZINC000824152400 608178604 /nfs/dbraw/zinc/17/86/04/608178604.db2.gz DWXLIOQHBMMOBZ-UHFFFAOYSA-N -1 1 324.801 2.672 20 0 DFADMM CC(C)(C)n1cc(Nc2snc(Cl)c2-c2nn[n-]n2)cn1 ZINC000824152400 608178607 /nfs/dbraw/zinc/17/86/07/608178607.db2.gz DWXLIOQHBMMOBZ-UHFFFAOYSA-N -1 1 324.801 2.672 20 0 DFADMM Fc1cccc2c1N(c1snc(Cl)c1-c1nnn[n-]1)CC2 ZINC000826378043 608191269 /nfs/dbraw/zinc/19/12/69/608191269.db2.gz RZWPRFDAHBKPGX-UHFFFAOYSA-N -1 1 322.756 2.810 20 0 DFADMM Fc1cccc2c1N(c1snc(Cl)c1-c1nn[n-]n1)CC2 ZINC000826378043 608191271 /nfs/dbraw/zinc/19/12/71/608191271.db2.gz RZWPRFDAHBKPGX-UHFFFAOYSA-N -1 1 322.756 2.810 20 0 DFADMM CC(C)(CNc1nccnc1-c1nnn[n-]1)C1CCCCC1 ZINC000824162936 608233248 /nfs/dbraw/zinc/23/32/48/608233248.db2.gz VGMMMKFFPYDHPC-UHFFFAOYSA-N -1 1 301.398 2.675 20 0 DFADMM CC(C)(CNc1nccnc1-c1nn[n-]n1)C1CCCCC1 ZINC000824162936 608233250 /nfs/dbraw/zinc/23/32/50/608233250.db2.gz VGMMMKFFPYDHPC-UHFFFAOYSA-N -1 1 301.398 2.675 20 0 DFADMM CC(C)c1ccc(C[C@H](C)Nc2nccnc2-c2nnn[n-]2)cc1 ZINC000824457204 608306435 /nfs/dbraw/zinc/30/64/35/608306435.db2.gz HFCOPPXKCLEEMD-LBPRGKRZSA-N -1 1 323.404 2.823 20 0 DFADMM CC(C)c1ccc(C[C@H](C)Nc2nccnc2-c2nn[n-]n2)cc1 ZINC000824457204 608306436 /nfs/dbraw/zinc/30/64/36/608306436.db2.gz HFCOPPXKCLEEMD-LBPRGKRZSA-N -1 1 323.404 2.823 20 0 DFADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1cccc2ccccc21 ZINC000824657547 608389591 /nfs/dbraw/zinc/38/95/91/608389591.db2.gz QWUWWJUXAXVEAK-NSHDSACASA-N -1 1 317.356 2.983 20 0 DFADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1cccc2ccccc21 ZINC000824657547 608389593 /nfs/dbraw/zinc/38/95/93/608389593.db2.gz QWUWWJUXAXVEAK-NSHDSACASA-N -1 1 317.356 2.983 20 0 DFADMM Cc1ccc([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)cc1C ZINC000826285708 608405116 /nfs/dbraw/zinc/40/51/16/608405116.db2.gz HRRDKUBUGHAIPI-HNNXBMFYSA-N -1 1 321.388 2.615 20 0 DFADMM Cc1ccc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)cc1C ZINC000826285708 608405117 /nfs/dbraw/zinc/40/51/17/608405117.db2.gz HRRDKUBUGHAIPI-HNNXBMFYSA-N -1 1 321.388 2.615 20 0 DFADMM CO[C@H]1CCC[C@H]1CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000826146306 608417114 /nfs/dbraw/zinc/41/71/14/608417114.db2.gz SXTXAVPLOYCHKZ-ZBEGNZNMSA-N -1 1 324.388 2.642 20 0 DFADMM CO[C@H]1CCC[C@H]1CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000826146306 608417115 /nfs/dbraw/zinc/41/71/15/608417115.db2.gz SXTXAVPLOYCHKZ-ZBEGNZNMSA-N -1 1 324.388 2.642 20 0 DFADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(F)cc1Cl ZINC000824655013 608421016 /nfs/dbraw/zinc/42/10/16/608421016.db2.gz ASWJBJVLUJZUKB-SSDOTTSWSA-N -1 1 319.731 2.622 20 0 DFADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(F)cc1Cl ZINC000824655013 608421017 /nfs/dbraw/zinc/42/10/17/608421017.db2.gz ASWJBJVLUJZUKB-SSDOTTSWSA-N -1 1 319.731 2.622 20 0 DFADMM CCC[C@@H](CCc1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825242614 608423143 /nfs/dbraw/zinc/42/31/43/608423143.db2.gz WSMDEFPBPAMYSB-AWEZNQCLSA-N -1 1 323.404 2.870 20 0 DFADMM CCC[C@@H](CCc1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825242614 608423144 /nfs/dbraw/zinc/42/31/44/608423144.db2.gz WSMDEFPBPAMYSB-AWEZNQCLSA-N -1 1 323.404 2.870 20 0 DFADMM Cc1ccc(-c2nn[n-]n2)nc1NCc1ccccc1Cl ZINC000826280482 608540826 /nfs/dbraw/zinc/54/08/26/608540826.db2.gz CYXHCDJFJIIVFM-UHFFFAOYSA-N -1 1 300.753 2.836 20 0 DFADMM Cc1ccc(-c2nn[n-]n2)nc1NCCc1c[nH]c2ccccc12 ZINC000826280934 608541629 /nfs/dbraw/zinc/54/16/29/608541629.db2.gz WQCGQEQFKZWAFE-UHFFFAOYSA-N -1 1 319.372 2.706 20 0 DFADMM CC(C)CN(Cc1ccc(-c2nn[n-]n2)s1)CC(F)(F)F ZINC000824262071 608599185 /nfs/dbraw/zinc/59/91/85/608599185.db2.gz WEXDIOHKEUUALV-UHFFFAOYSA-N -1 1 319.356 2.949 20 0 DFADMM Clc1ccc2c(c1)N(Cc1ccc(-c3nnn[n-]3)o1)CC2 ZINC000826352702 609174614 /nfs/dbraw/zinc/17/46/14/609174614.db2.gz LACBDRFZPAHODY-UHFFFAOYSA-N -1 1 301.737 2.676 20 0 DFADMM Clc1ccc2c(c1)N(Cc1ccc(-c3nn[n-]n3)o1)CC2 ZINC000826352702 609174616 /nfs/dbraw/zinc/17/46/16/609174616.db2.gz LACBDRFZPAHODY-UHFFFAOYSA-N -1 1 301.737 2.676 20 0 DFADMM [O-]c1ccc(-c2noc(CCOC3CCOCC3)n2)c(Cl)c1 ZINC000278244313 214044002 /nfs/dbraw/zinc/04/40/02/214044002.db2.gz SPBQVDIZJKJNKI-UHFFFAOYSA-N -1 1 324.764 2.834 20 0 DFADMM Cc1ccc([C@@H]2COCCN2C(=O)c2ccc([O-])cc2F)o1 ZINC000181224326 199268114 /nfs/dbraw/zinc/26/81/14/199268114.db2.gz PDXNBHKCYBDIRW-AWEZNQCLSA-N -1 1 305.305 2.646 20 0 DFADMM C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1csnn1 ZINC000412790293 295656933 /nfs/dbraw/zinc/65/69/33/295656933.db2.gz DFGGNAGLDXNAND-ZCFIWIBFSA-N -1 1 317.292 2.754 20 0 DFADMM CCCC[C@@H](NC(N)=O)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278294197 214072452 /nfs/dbraw/zinc/07/24/52/214072452.db2.gz WZRBLPBEQSREFY-LLVKDONJSA-N -1 1 324.768 2.995 20 0 DFADMM [O-]c1ccc(-c2noc([C@@H]3CCCc4n[nH]cc43)n2)cc1F ZINC000278320969 214088612 /nfs/dbraw/zinc/08/86/12/214088612.db2.gz YYXDQWNVEUBDAX-SECBINFHSA-N -1 1 300.293 2.773 20 0 DFADMM C[C@H](Cn1ccc2ccccc21)C(=O)[N-]O[C@H]1CCCCO1 ZINC000286550516 219048472 /nfs/dbraw/zinc/04/84/72/219048472.db2.gz UUHDKILCNDKJCD-CJNGLKHVSA-N -1 1 302.374 2.852 20 0 DFADMM CCc1nc(SCC(=O)N(C)C2CCCCC2)[n-]c(=O)c1C ZINC000005625519 398352288 /nfs/dbraw/zinc/35/22/88/398352288.db2.gz JLNQQEXQNYIBGS-UHFFFAOYSA-N -1 1 323.462 2.524 20 0 DFADMM CCc1cc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)oc1CC ZINC000331909017 529513038 /nfs/dbraw/zinc/51/30/38/529513038.db2.gz YDYRPQXPKBWOJW-NSHDSACASA-N -1 1 319.361 2.513 20 0 DFADMM Cc1cc(C)c(CNC(=O)c2cc3ccccc3cc2[O-])c(=O)[nH]1 ZINC000010458201 398378584 /nfs/dbraw/zinc/37/85/84/398378584.db2.gz XIIZWCJWLATOMS-UHFFFAOYSA-N -1 1 322.364 2.781 20 0 DFADMM Cn1cnc2cc([N-]S(=O)(=O)c3cccc(F)c3)ccc21 ZINC000083577469 398388779 /nfs/dbraw/zinc/38/87/79/398388779.db2.gz HXBGZSWMMUAVSU-UHFFFAOYSA-N -1 1 305.334 2.513 20 0 DFADMM CCCc1ccc(C(=O)NCc2n[n-]c(=S)n2CC)cc1 ZINC000066636496 398389836 /nfs/dbraw/zinc/38/98/36/398389836.db2.gz ALHDOAAIVOQFIJ-UHFFFAOYSA-N -1 1 304.419 2.843 20 0 DFADMM CCn1c(CNC(=O)c2cc3c(s2)CCCC3)n[n-]c1=S ZINC000066637203 398389921 /nfs/dbraw/zinc/38/99/21/398389921.db2.gz KJXFGQQLXNWKSY-UHFFFAOYSA-N -1 1 322.459 2.831 20 0 DFADMM CSc1cccc(NC(=O)NCCn2c(C)n[n-]c2=S)c1 ZINC000084293672 398397142 /nfs/dbraw/zinc/39/71/42/398397142.db2.gz LUWSPHAEQDPICG-UHFFFAOYSA-N -1 1 323.447 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CCC[C@@H](NC(=O)[C@@H](C)c1ccc(CC)cc1)c1nn[n-]n1 ZINC000136659256 283242719 /nfs/dbraw/zinc/24/27/19/283242719.db2.gz YVNICEZMNGEFFV-SMDDNHRTSA-N -1 1 301.394 2.523 20 0 DFADMM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2sccc2Cl)CCO1 ZINC000416504129 295951008 /nfs/dbraw/zinc/95/10/08/295951008.db2.gz SLVUJPFKZLJQAD-VIFPVBQESA-N -1 1 323.867 2.885 20 0 DFADMM O=S(=O)([N-][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(F)c(F)c1F ZINC000416562988 295955145 /nfs/dbraw/zinc/95/51/45/295955145.db2.gz XTPXWSWIVNBFMB-KHQFGBGNSA-N -1 1 305.321 2.571 20 0 DFADMM CC(C)(C)c1nc(CCNC(=O)c2cncc([O-])c2)cs1 ZINC000179454076 199038008 /nfs/dbraw/zinc/03/80/08/199038008.db2.gz VMEUYJKQAKJVJP-UHFFFAOYSA-N -1 1 305.403 2.514 20 0 DFADMM COCCC1(C[N-]S(=O)(=O)c2cc3ccccc3o2)CC1 ZINC000152785432 283339101 /nfs/dbraw/zinc/33/91/01/283339101.db2.gz MGTFVYIQLMFQAH-UHFFFAOYSA-N -1 1 309.387 2.528 20 0 DFADMM COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)c1cnn[nH]1 ZINC000130924499 398848665 /nfs/dbraw/zinc/84/86/65/398848665.db2.gz 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/nfs/dbraw/zinc/63/61/57/287636157.db2.gz PTDPGNNFISKESO-SECBINFHSA-N -1 1 303.280 2.662 20 0 DFADMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000055616811 425894254 /nfs/dbraw/zinc/89/42/54/425894254.db2.gz GQJSUCYTEAERRG-UHFFFAOYSA-N -1 1 322.361 2.975 20 0 DFADMM CCCc1cc(=O)[n-]c(SCc2nc(CCC(C)C)no2)n1 ZINC000060086322 425898556 /nfs/dbraw/zinc/89/85/56/425898556.db2.gz XFBVNLXMOSSJKA-UHFFFAOYSA-N -1 1 322.434 2.986 20 0 DFADMM COc1ccc2nc(-c3ccc(NC(C)=O)cc3)[n-]c(=O)c2c1 ZINC000063580757 425900936 /nfs/dbraw/zinc/90/09/36/425900936.db2.gz OJNTVVLKMKFLPJ-UHFFFAOYSA-N -1 1 309.325 2.557 20 0 DFADMM CC(C)n1c(CNC(=O)c2ccc3[nH]ccc3c2)n[n-]c1=S ZINC000066640714 425905608 /nfs/dbraw/zinc/90/56/08/425905608.db2.gz LDXHOBJPOKKQAW-UHFFFAOYSA-N -1 1 315.402 2.933 20 0 DFADMM COc1ccc(F)cc1C(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000066640033 425905869 /nfs/dbraw/zinc/90/58/69/425905869.db2.gz MOTODZIYYWWODG-UHFFFAOYSA-N -1 1 324.381 2.599 20 0 DFADMM CCn1c(CNC(=O)C(C)(C)c2ccccc2F)n[n-]c1=S ZINC000067050489 425908276 /nfs/dbraw/zinc/90/82/76/425908276.db2.gz KWRYESNUAFMWDO-UHFFFAOYSA-N -1 1 322.409 2.694 20 0 DFADMM CC(C)n1c(CNC(=O)C=Cc2cccc(F)c2)n[n-]c1=S ZINC000067071592 425908458 /nfs/dbraw/zinc/90/84/58/425908458.db2.gz KLFUZWSYBWMADB-VOTSOKGWSA-N -1 1 320.393 2.990 20 0 DFADMM COc1ccc(C(=O)Nc2n[nH]c(-c3ccc(C)cc3)n2)c([O-])c1 ZINC000067511074 425910941 /nfs/dbraw/zinc/91/09/41/425910941.db2.gz ZWOLCDHUPUTITQ-UHFFFAOYSA-N -1 1 324.340 2.747 20 0 DFADMM C[C@@H](c1cccnc1)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000068372651 425917549 /nfs/dbraw/zinc/91/75/49/425917549.db2.gz PGOIGSVCCVZECD-NSHDSACASA-N -1 1 308.341 2.564 20 0 DFADMM O=C([C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155556020 425920549 /nfs/dbraw/zinc/92/05/49/425920549.db2.gz HNBMITQNVRSLSV-XQLPTFJDSA-N -1 1 317.437 2.512 20 0 DFADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H](n2cccn2)C1 ZINC000102482647 425920800 /nfs/dbraw/zinc/92/08/00/425920800.db2.gz BQBXUTVLIIPMOK-LBPRGKRZSA-N -1 1 305.765 2.719 20 0 DFADMM CCCCc1noc([C@H](C)S(=O)(=O)c2ccc([O-])cc2)n1 ZINC000069163398 425931563 /nfs/dbraw/zinc/93/15/63/425931563.db2.gz PKLCQPBFYGONFR-JTQLQIEISA-N -1 1 310.375 2.653 20 0 DFADMM C[C@H](CC(=O)c1ccccc1)NC(=O)c1cc(F)ccc1[O-] ZINC000092599965 267470467 /nfs/dbraw/zinc/47/04/67/267470467.db2.gz BDKHEPRSXCDCRW-LLVKDONJSA-N -1 1 301.317 2.923 20 0 DFADMM O=C(Nc1ccccc1O[C@H]1CCOC1)c1cc(F)ccc1[O-] ZINC000092601845 267471152 /nfs/dbraw/zinc/47/11/52/267471152.db2.gz FEKABRXXVXSZIZ-LBPRGKRZSA-N -1 1 317.316 2.951 20 0 DFADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc2nccnc2c1 ZINC000008697138 425672136 /nfs/dbraw/zinc/67/21/36/425672136.db2.gz CWCUGEFAHCCNQX-UHFFFAOYSA-N -1 1 317.345 2.878 20 0 DFADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)cc1 ZINC000045774185 425862433 /nfs/dbraw/zinc/86/24/33/425862433.db2.gz UXOCMZQMPXESLT-UHFFFAOYSA-N -1 1 313.382 2.982 20 0 DFADMM O=C([O-])[C@H]1CCCN(Cc2csc(-c3ccccn3)n2)C1 ZINC000035297090 425843912 /nfs/dbraw/zinc/84/39/12/425843912.db2.gz ZHUWNRNCIGGOAO-NSHDSACASA-N -1 1 303.387 2.502 20 0 DFADMM Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(Cl)cc1Cl ZINC000037730862 425848854 /nfs/dbraw/zinc/84/88/54/425848854.db2.gz RFNXUXCXUWANPF-UHFFFAOYSA-N -1 1 306.174 2.826 20 0 DFADMM CNC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000042626019 425853607 /nfs/dbraw/zinc/85/36/07/425853607.db2.gz WSKKESAMRHABKO-UHFFFAOYSA-N -1 1 319.386 2.547 20 0 DFADMM CCC(=O)Nc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000192635422 268042981 /nfs/dbraw/zinc/04/29/81/268042981.db2.gz HZOFGGTWIKAWFT-UHFFFAOYSA-N -1 1 300.314 2.699 20 0 DFADMM C[C@H]1C[C@@H]1CNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000047097121 425868188 /nfs/dbraw/zinc/86/81/88/425868188.db2.gz RKWASPMKPQMAQL-SWLSCSKDSA-N -1 1 316.401 2.653 20 0 DFADMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000047119246 425868244 /nfs/dbraw/zinc/86/82/44/425868244.db2.gz AQKGQQZOBZBVOL-UHFFFAOYSA-N -1 1 304.371 2.754 20 0 DFADMM CCn1cnnc1-c1cccc(NC(=O)c2ccc(O)cc2[O-])c1 ZINC000193296792 268064157 /nfs/dbraw/zinc/06/41/57/268064157.db2.gz ZIJPKQGAKXKSNX-UHFFFAOYSA-N -1 1 324.340 2.629 20 0 DFADMM O=S(=O)([N-]c1ccc2nccnc2c1)c1cccc(F)c1 ZINC000047211515 425868411 /nfs/dbraw/zinc/86/84/11/425868411.db2.gz VDNXSJDANXCEJU-UHFFFAOYSA-N -1 1 303.318 2.570 20 0 DFADMM COc1cccc([C@H](C)C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC000193616782 268073927 /nfs/dbraw/zinc/07/39/27/268073927.db2.gz SVCWDFWTAIQIRB-ZETCQYMHSA-N -1 1 314.267 2.574 20 0 DFADMM COc1ccc2c(c1)[nH]nc2NC(=O)c1ccc(OC)cc1[O-] ZINC000194795031 268116002 /nfs/dbraw/zinc/11/60/02/268116002.db2.gz XZNYTEXTECVITG-UHFFFAOYSA-N -1 1 313.313 2.538 20 0 DFADMM CCc1cc(=O)[n-]c(SCCC(=O)Nc2cccc(F)c2)n1 ZINC000195063773 268125910 /nfs/dbraw/zinc/12/59/10/268125910.db2.gz MPJBUSWNYZIWER-UHFFFAOYSA-N -1 1 321.377 2.592 20 0 DFADMM CC(C)c1nc([C@@H](C)NC(=O)c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000270719359 268206182 /nfs/dbraw/zinc/20/61/82/268206182.db2.gz HVYRKLVZARHMLP-MRVPVSSYSA-N -1 1 308.769 2.778 20 0 DFADMM COc1ccc(C(=O)Nc2cnn(-c3ccccc3)c2)c([O-])c1 ZINC000303000209 268325376 /nfs/dbraw/zinc/32/53/76/268325376.db2.gz HYQWTHVTAKIVQU-UHFFFAOYSA-N -1 1 309.325 2.839 20 0 DFADMM Cc1cccc(CNC(=O)c2cc(Br)ccc2[O-])n1 ZINC000048736545 425877209 /nfs/dbraw/zinc/87/72/09/425877209.db2.gz OFOXOEQVXCWESZ-UHFFFAOYSA-N -1 1 321.174 2.788 20 0 DFADMM CC(C)(C)OCCNC(=O)c1ccc(Br)cc1[O-] ZINC000308569187 268335438 /nfs/dbraw/zinc/33/54/38/268335438.db2.gz XLZBSNUOWNMQBM-UHFFFAOYSA-N -1 1 316.195 2.700 20 0 DFADMM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1c(C)cccc1C ZINC000330847255 268354692 /nfs/dbraw/zinc/35/46/92/268354692.db2.gz COKKAKRXBXLUKP-NSHDSACASA-N -1 1 308.403 2.948 20 0 DFADMM Cc1nc([C@H](C)Sc2nc(C(F)(F)F)cc(=O)[n-]2)no1 ZINC000331343401 268356570 /nfs/dbraw/zinc/35/65/70/268356570.db2.gz UHOOVHVSWKRQOT-BYPYZUCNSA-N -1 1 306.269 2.746 20 0 DFADMM CCOCCN(CC)C(=O)c1ccc(Br)cc1[O-] ZINC000107062450 425983158 /nfs/dbraw/zinc/98/31/58/425983158.db2.gz HPUJUQOPDGWLSI-UHFFFAOYSA-N -1 1 316.195 2.653 20 0 DFADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)CCCC(C)C)o1 ZINC000107697839 426000972 /nfs/dbraw/zinc/00/09/72/426000972.db2.gz VNPWGHIRHRSIOH-NSHDSACASA-N -1 1 317.407 2.559 20 0 DFADMM COc1ccc([C@@H](C)C(=O)Nc2nc(-c3ccco3)n[nH]2)cc1 ZINC000107761632 426002112 /nfs/dbraw/zinc/00/21/12/426002112.db2.gz GQAREOKKJNADLS-SNVBAGLBSA-N -1 1 312.329 2.816 20 0 DFADMM CSc1nc(C)c(CCC(=O)N2[C@H](C)CCC[C@@H]2C)c(=O)[n-]1 ZINC000103368177 425944902 /nfs/dbraw/zinc/94/49/02/425944902.db2.gz FUQVXJKRPLBCES-PHIMTYICSA-N -1 1 323.462 2.522 20 0 DFADMM C[C@H](NC(=O)c1cncc([O-])c1)c1cccc(OC(F)F)c1 ZINC000109042681 426026619 /nfs/dbraw/zinc/02/66/19/426026619.db2.gz FOCKCTJDGHJHON-VIFPVBQESA-N -1 1 308.284 2.880 20 0 DFADMM CSc1nsc([N-]C(=O)c2noc3c2CCCCC3)n1 ZINC000161579543 426029678 /nfs/dbraw/zinc/02/96/78/426029678.db2.gz HBEHYYIJUFGJMV-UHFFFAOYSA-N -1 1 310.404 2.769 20 0 DFADMM COc1ccccc1S(=O)(=O)[N-]c1cc(CC(C)(C)C)n[nH]1 ZINC000126758019 426035184 /nfs/dbraw/zinc/03/51/84/426035184.db2.gz LGWWONVRVGROON-UHFFFAOYSA-N -1 1 323.418 2.808 20 0 DFADMM CN(C(=O)c1ccc(Br)c([O-])c1)[C@@H]1CCSC1 ZINC000126829704 426038265 /nfs/dbraw/zinc/03/82/65/426038265.db2.gz BCGGTZOZRMENBM-SECBINFHSA-N -1 1 316.220 2.732 20 0 DFADMM CCc1ccc([C@H](C)NC(=O)c2nc3ccccc3c(=O)[n-]2)cc1 ZINC000074272238 426044803 /nfs/dbraw/zinc/04/48/03/426044803.db2.gz VWFCUPIXJAUPML-LBPRGKRZSA-N -1 1 321.380 2.977 20 0 DFADMM CCC[C@H](NC(=O)CC[C@@H](C)c1ccccc1)c1nn[n-]n1 ZINC000162135353 426054620 /nfs/dbraw/zinc/05/46/20/426054620.db2.gz KONZROPNIVUUEH-OCCSQVGLSA-N -1 1 301.394 2.741 20 0 DFADMM O=C(c1cc(Cl)ccc1[O-])N1CCO[C@@H](c2nccs2)C1 ZINC000111620509 426055001 /nfs/dbraw/zinc/05/50/01/426055001.db2.gz ZJPLKIJGRDNKKP-GFCCVEGCSA-N -1 1 324.789 2.716 20 0 DFADMM CC(C)CCC[C@H](C)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000075402856 426072482 /nfs/dbraw/zinc/07/24/82/426072482.db2.gz JYUTZKSEBKAIIG-LBPRGKRZSA-N -1 1 301.390 2.868 20 0 DFADMM CCCCn1ncc(NC(=O)c2ccc(OC)cc2[O-])c1C ZINC000127317540 426060494 /nfs/dbraw/zinc/06/04/94/426060494.db2.gz DTTSKTLURLFTLD-UHFFFAOYSA-N -1 1 303.362 2.958 20 0 DFADMM CO[C@@H](CNC(=O)c1c([O-])cccc1F)c1ccc(F)cc1 ZINC000127479182 426067664 /nfs/dbraw/zinc/06/76/64/426067664.db2.gz QNBOGOYGWVXYRB-AWEZNQCLSA-N -1 1 307.296 2.788 20 0 DFADMM CC(C)c1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)[nH]n1 ZINC000126163123 426007854 /nfs/dbraw/zinc/00/78/54/426007854.db2.gz IZRHLCLXKMJSTB-UHFFFAOYSA-N -1 1 301.318 2.612 20 0 DFADMM O=C([N-]c1nnc(Cc2ccccc2F)s1)c1ccon1 ZINC000108308846 426012773 /nfs/dbraw/zinc/01/27/73/426012773.db2.gz IXBWWPSRHQQZLS-UHFFFAOYSA-N -1 1 304.306 2.508 20 0 DFADMM O=C(C=Cc1cc(C(F)(F)F)ccc1Cl)Nc1nnn[n-]1 ZINC000072678422 426018169 /nfs/dbraw/zinc/01/81/69/426018169.db2.gz NYEWJJQATAMOJL-DAFODLJHSA-N -1 1 317.658 2.524 20 0 DFADMM O=C(C=Cc1cc(C(F)(F)F)ccc1Cl)Nc1nn[n-]n1 ZINC000072678422 426018172 /nfs/dbraw/zinc/01/81/72/426018172.db2.gz NYEWJJQATAMOJL-DAFODLJHSA-N -1 1 317.658 2.524 20 0 DFADMM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cncc([O-])c1 ZINC000128202794 426106713 /nfs/dbraw/zinc/10/67/13/426106713.db2.gz RMCFENBJELHWBQ-ZUZCIYMTSA-N -1 1 320.776 2.947 20 0 DFADMM C[C@@H]1CC([N-]S(=O)(=O)c2cc3ccccc3o2)C[C@@H](C)O1 ZINC000162873619 426081086 /nfs/dbraw/zinc/08/10/86/426081086.db2.gz KUPAJHOFRFWEPN-GHMZBOCLSA-N -1 1 309.387 2.667 20 0 DFADMM CCN(Cc1ccccc1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000127725112 426082085 /nfs/dbraw/zinc/08/20/85/426082085.db2.gz TUJQRUMUQJYZEV-UHFFFAOYSA-N -1 1 307.353 2.585 20 0 DFADMM COc1cc(C(=O)N[C@H](C)C[C@H]2CCCO2)cc(Cl)c1[O-] ZINC000135042360 426204369 /nfs/dbraw/zinc/20/43/69/426204369.db2.gz FSKXOSDECRUJEC-MWLCHTKSSA-N -1 1 313.781 2.742 20 0 DFADMM COc1cc(C(=O)N(C)C[C@@H]2CCCOC2)cc(Cl)c1[O-] ZINC000135082646 426205125 /nfs/dbraw/zinc/20/51/25/426205125.db2.gz XENALWLUFBUDJL-JTQLQIEISA-N -1 1 313.781 2.553 20 0 DFADMM O=C(NCCc1ccccn1)c1ccc(Br)c([O-])c1 ZINC000132918094 426170875 /nfs/dbraw/zinc/17/08/75/426170875.db2.gz ZJNVMWJKLLJONS-UHFFFAOYSA-N -1 1 321.174 2.522 20 0 DFADMM C[S@@](=O)Cc1cc(NC(=O)c2cncc([O-])c2)ccc1Cl ZINC000115724630 426172011 /nfs/dbraw/zinc/17/20/11/426172011.db2.gz ZMVVFLNGWQSQJH-NRFANRHFSA-N -1 1 324.789 2.571 20 0 DFADMM CC[C@@H](CSC)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000133310102 426173066 /nfs/dbraw/zinc/17/30/66/426173066.db2.gz VZMFXWYOVLIFNU-QMMMGPOBSA-N -1 1 311.831 2.899 20 0 DFADMM O=C(NC[C@@H]1CCCS1)c1ccc(Br)c([O-])c1 ZINC000133611834 426183035 /nfs/dbraw/zinc/18/30/35/426183035.db2.gz ZKMVGAQYOSFQDE-VIFPVBQESA-N -1 1 316.220 2.780 20 0 DFADMM CC(C)(C)Cc1cc([N-]S(=O)(=O)Cc2ccccc2)n[nH]1 ZINC000135578732 426223243 /nfs/dbraw/zinc/22/32/43/426223243.db2.gz XMGIZKFBGGLKBA-UHFFFAOYSA-N -1 1 307.419 2.940 20 0 DFADMM CCC[C@@H](NC(=O)CCCc1cc(C)sc1C)c1nn[n-]n1 ZINC000136664623 426244109 /nfs/dbraw/zinc/24/41/09/426244109.db2.gz OQVUQDYKEJRPJU-CYBMUJFWSA-N -1 1 321.450 2.858 20 0 DFADMM CCCc1cc(C(=O)N[C@@H](CCC)c2nn[n-]n2)sc1C ZINC000136727093 426244782 /nfs/dbraw/zinc/24/47/82/426244782.db2.gz VWRYPVREOHLJMV-NSHDSACASA-N -1 1 307.423 2.793 20 0 DFADMM CCC[C@@H](NC(=O)C[C@@H](C)c1ccc(CC)cc1)c1nn[n-]n1 ZINC000136674883 426245123 /nfs/dbraw/zinc/24/51/23/426245123.db2.gz LQKLFYWVIPDWQL-IUODEOHRSA-N -1 1 315.421 2.913 20 0 DFADMM CCCOc1cccc(NC(=O)NCc2n[n-]c(=S)n2C)c1 ZINC000085555978 426252326 /nfs/dbraw/zinc/25/23/26/426252326.db2.gz UBKJHPQFQLWWQE-UHFFFAOYSA-N -1 1 321.406 2.588 20 0 DFADMM Cc1ccccc1NC(=O)NCc1n[n-]c(=S)n1C1CC1 ZINC000085545228 426252638 /nfs/dbraw/zinc/25/26/38/426252638.db2.gz OAHLINUHKAMXTL-UHFFFAOYSA-N -1 1 303.391 2.906 20 0 DFADMM COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1cncc([O-])c1 ZINC000119064342 426259573 /nfs/dbraw/zinc/25/95/73/426259573.db2.gz FXACONMWASNTMY-CYBMUJFWSA-N -1 1 312.369 2.646 20 0 DFADMM Cc1noc([N-]C(=O)c2cnc(Cc3ccccc3)s2)n1 ZINC000087158417 426266800 /nfs/dbraw/zinc/26/68/00/426266800.db2.gz OJCPFZOMKBGVGR-UHFFFAOYSA-N -1 1 300.343 2.678 20 0 DFADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1ccc2c(c1)OCO2 ZINC000119186980 426267828 /nfs/dbraw/zinc/26/78/28/426267828.db2.gz CGRUDXWTTFIOTP-SECBINFHSA-N -1 1 303.289 2.751 20 0 DFADMM COc1cc(C(=O)NCC[C@H]2CCCCO2)cc(Cl)c1[O-] ZINC000135249451 426211299 /nfs/dbraw/zinc/21/12/99/426211299.db2.gz OSHJFWXFQNFNGQ-LLVKDONJSA-N -1 1 313.781 2.743 20 0 DFADMM CC(C)c1nc2c(n1C)CCN(C(=O)c1cc(F)ccc1[O-])C2 ZINC000175231817 426289897 /nfs/dbraw/zinc/28/98/97/426289897.db2.gz PEDIONYMUGOVKV-UHFFFAOYSA-N -1 1 317.364 2.587 20 0 DFADMM Cn1ccnc1-c1cc(NC(=O)CSc2ccccc2)[nH]n1 ZINC000119598255 426300112 /nfs/dbraw/zinc/30/01/12/426300112.db2.gz QCAGCVCKESONBM-UHFFFAOYSA-N -1 1 313.386 2.541 20 0 DFADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@H](Oc2cccnc2)C1 ZINC000151535784 426300503 /nfs/dbraw/zinc/30/05/03/426300503.db2.gz DESGGSFIIQOWKS-ZDUSSCGKSA-N -1 1 318.760 2.734 20 0 DFADMM CC(C)Cn1ccnc1CNC(=O)c1ccc(Cl)cc1[O-] ZINC000175925863 426339902 /nfs/dbraw/zinc/33/99/02/426339902.db2.gz RSHFUPGJDPODDZ-UHFFFAOYSA-N -1 1 307.781 2.828 20 0 DFADMM COc1ccc([C@@H](C)[N-]C(=O)C(F)(F)C(F)F)cc1OC ZINC000175928931 426340425 /nfs/dbraw/zinc/34/04/25/426340425.db2.gz ALFOTXZNPKOUFV-SSDOTTSWSA-N -1 1 309.259 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COCC[C@H](NC(=O)c1ccc([O-])cc1F)c1ccc(C)o1 ZINC000272508557 426542007 /nfs/dbraw/zinc/54/20/07/426542007.db2.gz QHWZXKLOFCLZNV-AWEZNQCLSA-N -1 1 307.321 2.940 20 0 DFADMM O=S(=O)([N-]c1cc(F)cc(F)c1)c1ccc2c(c1)CCO2 ZINC000198133815 426544192 /nfs/dbraw/zinc/54/41/92/426544192.db2.gz QBCZUABYUXLIOE-UHFFFAOYSA-N -1 1 311.309 2.701 20 0 DFADMM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000195048595 426500055 /nfs/dbraw/zinc/50/00/55/426500055.db2.gz RQRIOOFFUHPQPS-LLVKDONJSA-N -1 1 324.743 2.670 20 0 DFADMM COc1cc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)ccc1F ZINC000186749074 426591471 /nfs/dbraw/zinc/59/14/71/426591471.db2.gz SCAWZCHRIPXYOQ-UHFFFAOYSA-N -1 1 323.345 2.838 20 0 DFADMM O=C(NCc1cccc(N2CC=CC2)c1)c1c([O-])cccc1F ZINC000186904807 426604919 /nfs/dbraw/zinc/60/49/19/426604919.db2.gz LSUZQUJWBCMGRX-UHFFFAOYSA-N -1 1 312.344 2.838 20 0 DFADMM CC(C)[C@H]1OCCC[C@@H]1CNC(=O)c1c(F)ccc([O-])c1F ZINC000280696271 426636623 /nfs/dbraw/zinc/63/66/23/426636623.db2.gz 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CCc1cnc(C[N-]S(=O)(=O)c2cccc(Cl)c2F)o1 ZINC000274726167 426824187 /nfs/dbraw/zinc/82/41/87/426824187.db2.gz SVZONQPPIKMZNI-UHFFFAOYSA-N -1 1 318.757 2.508 20 0 DFADMM COC(=O)CCCO[N-]C(=O)[C@@H](C)c1ccc2ccccc2c1 ZINC000290745052 426829832 /nfs/dbraw/zinc/82/98/32/426829832.db2.gz UDGDBSGOABAJLR-ZDUSSCGKSA-N -1 1 315.369 2.944 20 0 DFADMM CCc1ccc(C(=O)N2CCn3c4ccccc4nc32)c([O-])c1 ZINC000189228020 426830772 /nfs/dbraw/zinc/83/07/72/426830772.db2.gz RSBGITCNQXZKRL-UHFFFAOYSA-N -1 1 307.353 2.965 20 0 DFADMM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(-c2ccco2)cc1F ZINC000282228108 426857868 /nfs/dbraw/zinc/85/78/68/426857868.db2.gz OUVLHDVQLCOAFD-JTQLQIEISA-N -1 1 313.350 2.862 20 0 DFADMM CCOc1ccc(S(=O)(=O)[N-]c2ncccc2F)c(C)c1 ZINC000180264761 426850152 /nfs/dbraw/zinc/85/01/52/426850152.db2.gz HSGMQFWDWZVIFY-UHFFFAOYSA-N -1 1 310.350 2.729 20 0 DFADMM Cc1nn(C)c(C)c1CCCNC(=O)c1cc(Cl)ccc1[O-] ZINC000180377740 426855483 /nfs/dbraw/zinc/85/54/83/426855483.db2.gz KLSYCILMSHLXNQ-UHFFFAOYSA-N -1 1 321.808 2.759 20 0 DFADMM O=C(NCc1nccs1)c1ccc(C(F)(F)F)cc1[O-] ZINC000180406258 426856679 /nfs/dbraw/zinc/85/66/79/426856679.db2.gz GWCRIULHEAWIFA-UHFFFAOYSA-N -1 1 302.277 2.798 20 0 DFADMM CC[C@H](C)[C@H](C)N(C(=O)c1c[n-]c2c(cnn2C)c1=O)C1CC1 ZINC000179482776 426793588 /nfs/dbraw/zinc/79/35/88/426793588.db2.gz PQDGCEWUQHOQBL-QWRGUYRKSA-N -1 1 316.405 2.713 20 0 DFADMM O=C(NCCc1nccs1)c1ccc(C(F)(F)F)cc1[O-] ZINC000180468301 426862195 /nfs/dbraw/zinc/86/21/95/426862195.db2.gz QALRMSPSIGDMSB-UHFFFAOYSA-N -1 1 316.304 2.840 20 0 DFADMM CCOC(=O)N1CCCN(Cc2cccc([O-])c2Cl)CC1 ZINC000295218769 426866856 /nfs/dbraw/zinc/86/68/56/426866856.db2.gz BLTRBIDCQAMMHN-UHFFFAOYSA-N -1 1 312.797 2.710 20 0 DFADMM CCC(O)(CC)CNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180601410 426871159 /nfs/dbraw/zinc/87/11/59/426871159.db2.gz AZQGYHILOUNKAU-UHFFFAOYSA-N -1 1 305.296 2.692 20 0 DFADMM O=C(NC[C@H]1CCC[C@@H](O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000180588868 426872149 /nfs/dbraw/zinc/87/21/49/426872149.db2.gz 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426948541 /nfs/dbraw/zinc/94/85/41/426948541.db2.gz DLQAXHVHYHVLFU-LBPRGKRZSA-N -1 1 305.765 2.587 20 0 DFADMM CCc1n[nH]c([N-]S(=O)(=O)c2cc(C)cc(C)c2OC)c1C ZINC000337752352 426954395 /nfs/dbraw/zinc/95/43/95/426954395.db2.gz GLLMOVBOJTVQAT-UHFFFAOYSA-N -1 1 323.418 2.707 20 0 DFADMM C[C@@H](CCC(=O)/N=c1/ccnc2n(C)[n-]cc1-2)c1ccccc1 ZINC000283150952 426964487 /nfs/dbraw/zinc/96/44/87/426964487.db2.gz JSZIMKYCKJHHBS-JPDJOPTESA-N -1 1 308.385 2.864 20 0 DFADMM Cc1cccc(C)c1NC(=O)CN1CCCC[C@H]1CCC(=O)[O-] ZINC000320460178 426967721 /nfs/dbraw/zinc/96/77/21/426967721.db2.gz ZHJRWTHGJRSIIG-HNNXBMFYSA-N -1 1 318.417 2.961 20 0 DFADMM CC(C)c1cccc(NC(=O)CN2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000324298426 426977572 /nfs/dbraw/zinc/97/75/72/426977572.db2.gz PYTCRASTUQNCMX-XJKSGUPXSA-N -1 1 318.417 2.791 20 0 DFADMM CCOC(=O)C[C@H](C)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000181783285 426981084 /nfs/dbraw/zinc/98/10/84/426981084.db2.gz ZOIHQGWJYFWSIM-LBPRGKRZSA-N -1 1 315.369 2.959 20 0 DFADMM 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/nfs/dbraw/zinc/13/52/31/537135231.db2.gz ZFMDACLKSKLLCN-UHFFFAOYSA-N -1 1 301.327 2.658 20 0 DFADMM CCOc1cccc([N-]S(=O)(=O)Cc2ccccc2C)n1 ZINC000680814964 545545945 /nfs/dbraw/zinc/54/59/45/545545945.db2.gz XGJABGLOTATPCP-UHFFFAOYSA-N -1 1 306.387 2.731 20 0 DFADMM CCc1ncc(S(=O)(=O)[N-]C2(C)CCC(F)(F)CC2)s1 ZINC000680857263 545553281 /nfs/dbraw/zinc/55/32/81/545553281.db2.gz LDWRJNDCXHZAQE-UHFFFAOYSA-N -1 1 324.418 2.952 20 0 DFADMM O=C(NCCCc1nc2ccccc2[nH]1)c1ccc([O-])c(F)c1 ZINC000681015695 545581886 /nfs/dbraw/zinc/58/18/86/545581886.db2.gz LLKFPGRDOVQQSW-UHFFFAOYSA-N -1 1 313.332 2.770 20 0 DFADMM COc1ccc(C)cc1CCNC(=O)c1ccc([O-])c(F)c1 ZINC000681015720 545581943 /nfs/dbraw/zinc/58/19/43/545581943.db2.gz FXQBKCWSZVPNOK-UHFFFAOYSA-N -1 1 303.333 2.821 20 0 DFADMM COc1cccc(CCNC(=O)c2ccc([O-])c(F)c2)c1OC ZINC000681019216 545582367 /nfs/dbraw/zinc/58/23/67/545582367.db2.gz SWHQANXNZMLOKL-UHFFFAOYSA-N -1 1 319.332 2.521 20 0 DFADMM C[C@H](O)C[C@H](CNC(=O)c1ccc([O-])c(F)c1)c1ccccc1 ZINC000681056289 545590403 /nfs/dbraw/zinc/59/04/03/545590403.db2.gz YTRQWJTWQCGHRW-SWLSCSKDSA-N -1 1 317.360 2.816 20 0 DFADMM CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1ccc([O-])c(F)c1 ZINC000681058064 545590454 /nfs/dbraw/zinc/59/04/54/545590454.db2.gz IHWMRFVOAUJXKP-OAHLLOKOSA-N -1 1 317.360 2.945 20 0 DFADMM COc1ccc(N(C)C(=O)c2ccc([O-])c(F)c2)c(OC)c1 ZINC000681058147 545590471 /nfs/dbraw/zinc/59/04/71/545590471.db2.gz IPVQPNROZHHAAG-UHFFFAOYSA-N -1 1 305.305 2.825 20 0 DFADMM C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000681058205 545590571 /nfs/dbraw/zinc/59/05/71/545590571.db2.gz HZRHTCZKVYBQON-DIFFPNOSSA-N -1 1 315.344 2.996 20 0 DFADMM O=C(c1ccc([O-])c(F)c1)N1CCO[C@@H](c2ccccc2F)C1 ZINC000681039267 545586996 /nfs/dbraw/zinc/58/69/96/545586996.db2.gz HWDYZRNPDAYGJX-MRXNPFEDSA-N -1 1 319.307 2.884 20 0 DFADMM O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1ccc([O-])c(F)c1 ZINC000681046268 545587979 /nfs/dbraw/zinc/58/79/79/545587979.db2.gz FOBWAQJDSJLPGI-CQSZACIVSA-N -1 1 314.360 2.930 20 0 DFADMM CCc1ccc([C@H](COC)NC(=O)c2ccc([O-])c(F)c2)o1 ZINC000681049325 545588482 /nfs/dbraw/zinc/58/84/82/545588482.db2.gz MSEZBEHSAIGHBR-ZDUSSCGKSA-N -1 1 307.321 2.804 20 0 DFADMM C[C@@H](COCc1ccccc1)NC(=O)c1ccc([O-])c(F)c1 ZINC000681049335 545588501 /nfs/dbraw/zinc/58/85/01/545588501.db2.gz ABWYTVCHPGYWIP-LBPRGKRZSA-N -1 1 303.333 2.866 20 0 DFADMM O=C(Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc([O-])c(F)c1 ZINC000681048629 545588529 /nfs/dbraw/zinc/58/85/29/545588529.db2.gz MHNITYZGZOPUCE-AWEZNQCLSA-N -1 1 317.316 2.951 20 0 DFADMM Cc1cnn(CC2CCN(C(=O)c3ccc([O-])c(F)c3)CC2)c1 ZINC000681050299 545589198 /nfs/dbraw/zinc/58/91/98/545589198.db2.gz LXTVCOZDWORAND-UHFFFAOYSA-N -1 1 317.364 2.589 20 0 DFADMM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccnc(C)c1Cl ZINC000681363798 545632892 /nfs/dbraw/zinc/63/28/92/545632892.db2.gz YYWQKOGZZSGEPL-UHFFFAOYSA-N -1 1 314.769 2.714 20 0 DFADMM COc1cc(C(=O)N[C@@H]2CCC(F)(F)C2)cc(Cl)c1[O-] ZINC000682362178 545830049 /nfs/dbraw/zinc/83/00/49/545830049.db2.gz RCSRXKRILIQGAH-MRVPVSSYSA-N -1 1 305.708 2.972 20 0 DFADMM CCOc1cc(C(=O)N[C@@]2(CC)CCOC2)cc(Cl)c1[O-] ZINC000682974717 545952191 /nfs/dbraw/zinc/95/21/91/545952191.db2.gz MFHZDEYBKPMZFN-HNNXBMFYSA-N -1 1 313.781 2.743 20 0 DFADMM CCn1ccc(CN(C)C(=O)c2cnc3nc(C)ccc3c2[O-])c1 ZINC000683052371 545967741 /nfs/dbraw/zinc/96/77/41/545967741.db2.gz SLHMZNFVWBRABN-UHFFFAOYSA-N -1 1 324.384 2.737 20 0 DFADMM CCn1ccc(CN(C)C(=O)c2c[n-]c3nc(C)ccc3c2=O)c1 ZINC000683052371 545967746 /nfs/dbraw/zinc/96/77/46/545967746.db2.gz SLHMZNFVWBRABN-UHFFFAOYSA-N -1 1 324.384 2.737 20 0 DFADMM COc1cccc(CN[C@H](C(=O)[O-])c2cc(F)ccc2F)c1 ZINC000683174153 545984344 /nfs/dbraw/zinc/98/43/44/545984344.db2.gz QRSHDCZUOLTIEC-HNNXBMFYSA-N -1 1 307.296 2.889 20 0 DFADMM COc1cccc(CN[C@@H](C(=O)[O-])c2cc(F)ccc2F)c1 ZINC000683174154 545984593 /nfs/dbraw/zinc/98/45/93/545984593.db2.gz QRSHDCZUOLTIEC-OAHLLOKOSA-N -1 1 307.296 2.889 20 0 DFADMM O=C(NCc1ccc2c(n1)CCCC2)c1ccc([O-])c(F)c1 ZINC000683514610 546049296 /nfs/dbraw/zinc/04/92/96/546049296.db2.gz MKGUMXHFNNECTK-UHFFFAOYSA-N -1 1 300.333 2.735 20 0 DFADMM CCn1c2ccc(C(=O)[O-])cc2nc1CN1CCC[C@@H](C)C1 ZINC000684753396 546273688 /nfs/dbraw/zinc/27/36/88/546273688.db2.gz JELMMOPQNQOHRE-GFCCVEGCSA-N -1 1 301.390 2.986 20 0 DFADMM C[C@@H]1CO[C@@H](C)CN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684870352 546295334 /nfs/dbraw/zinc/29/53/34/546295334.db2.gz BYLBFKSUMOZUIX-BDAKNGLRSA-N -1 1 303.280 2.660 20 0 DFADMM CC[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)CCO1 ZINC000684870965 546295364 /nfs/dbraw/zinc/29/53/64/546295364.db2.gz UYIWVZSIRNECFP-SNVBAGLBSA-N -1 1 303.280 2.662 20 0 DFADMM C[C@H](NC(=O)c1ccc(C(F)(F)F)c([O-])c1)[C@H]1CCCO1 ZINC000684871721 546295450 /nfs/dbraw/zinc/29/54/50/546295450.db2.gz PGOJADDYOWWNGI-QPUJVOFHSA-N -1 1 303.280 2.708 20 0 DFADMM CC[C@H]1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)CCO1 ZINC000684870964 546295605 /nfs/dbraw/zinc/29/56/05/546295605.db2.gz UYIWVZSIRNECFP-JTQLQIEISA-N -1 1 303.280 2.662 20 0 DFADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000684992435 546315484 /nfs/dbraw/zinc/31/54/84/546315484.db2.gz WOOMFCDGCOOBPV-CFVMTHIKSA-N -1 1 307.365 2.687 20 0 DFADMM CC(C)[C@H](CNC(=O)c1c(F)ccc([O-])c1F)c1ccnn1C ZINC000685481980 546359172 /nfs/dbraw/zinc/35/91/72/546359172.db2.gz PCZWEGIPMTXPHT-JTQLQIEISA-N -1 1 323.343 2.574 20 0 DFADMM Cc1ccccc1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000737428696 598934866 /nfs/dbraw/zinc/93/48/66/598934866.db2.gz TYZNTSIWMRYWHP-UHFFFAOYSA-N -1 1 317.356 2.730 20 0 DFADMM Cc1ccccc1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000737428696 598934868 /nfs/dbraw/zinc/93/48/68/598934868.db2.gz TYZNTSIWMRYWHP-UHFFFAOYSA-N -1 1 317.356 2.730 20 0 DFADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(C)cc1C ZINC000736505032 598989169 /nfs/dbraw/zinc/98/91/69/598989169.db2.gz GAIPIJSGXKSAFU-UHFFFAOYSA-N -1 1 322.372 2.545 20 0 DFADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(C)cc1C ZINC000736505032 598989170 /nfs/dbraw/zinc/98/91/70/598989170.db2.gz GAIPIJSGXKSAFU-UHFFFAOYSA-N -1 1 322.372 2.545 20 0 DFADMM CS[C@@H]1CC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000821951537 599073870 /nfs/dbraw/zinc/07/38/70/599073870.db2.gz ZZHHCZGVOAWQHL-PHDIDXHHSA-N -1 1 316.843 2.673 20 0 DFADMM CS[C@@H]1CC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000821951537 599073871 /nfs/dbraw/zinc/07/38/71/599073871.db2.gz ZZHHCZGVOAWQHL-PHDIDXHHSA-N -1 1 316.843 2.673 20 0 DFADMM CCN(CCNCc1cc(Br)ccc1F)C(=O)[O-] ZINC000739433902 602312481 /nfs/dbraw/zinc/31/24/81/602312481.db2.gz JMKPGGVNGQYUJU-UHFFFAOYSA-N -1 1 319.174 2.678 20 0 DFADMM C[C@H](C(=O)[O-])N(C)C(=O)c1cc(Cl)c2ccccc2c1O ZINC000817756886 596919191 /nfs/dbraw/zinc/91/91/91/596919191.db2.gz CAYYIENFSIZFIL-MRVPVSSYSA-N -1 1 307.733 2.744 20 0 DFADMM Cc1cccc(NC(=O)[C@@H](C)N2CCC[C@@H](CC(=O)[O-])C2)c1C ZINC000818944282 597080250 /nfs/dbraw/zinc/08/02/50/597080250.db2.gz OKVAMUAYILPGAB-CABCVRRESA-N -1 1 318.417 2.817 20 0 DFADMM CCc1ccc(COC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000736687545 599241555 /nfs/dbraw/zinc/24/15/55/599241555.db2.gz CDNURCLITAJDHT-UHFFFAOYSA-N -1 1 314.370 2.848 20 0 DFADMM CC[C@@H](NCc1csc(COc2ccccc2)n1)C(=O)[O-] ZINC000818323853 597154026 /nfs/dbraw/zinc/15/40/26/597154026.db2.gz JDNXQGZHAKGZGP-CYBMUJFWSA-N -1 1 306.387 2.675 20 0 DFADMM O=C([O-])c1ccc(CSc2nc(-c3cccnc3)n[nH]2)cc1 ZINC000167921632 597301489 /nfs/dbraw/zinc/30/14/89/597301489.db2.gz VBUASIIXPOUUDP-UHFFFAOYSA-N -1 1 312.354 2.857 20 0 DFADMM CC(C)C1CCC(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC000820039642 607306747 /nfs/dbraw/zinc/30/67/47/607306747.db2.gz ZYQSLUNTCBFDIN-UHFFFAOYSA-N -1 1 301.398 2.531 20 0 DFADMM CC(C)C1CCC(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC000820039642 607306748 /nfs/dbraw/zinc/30/67/48/607306748.db2.gz ZYQSLUNTCBFDIN-UHFFFAOYSA-N -1 1 301.398 2.531 20 0 DFADMM CC(C)N(CCCCC(=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC000737636212 597793454 /nfs/dbraw/zinc/79/34/54/597793454.db2.gz PGFNTFWUTALZET-UHFFFAOYSA-N -1 1 320.433 2.993 20 0 DFADMM O=C([O-])C1CCN(Cc2ccc(Oc3ccccc3)nn2)CC1 ZINC000821511164 598076847 /nfs/dbraw/zinc/07/68/47/598076847.db2.gz CRMSNVJFRMVIDH-UHFFFAOYSA-N -1 1 313.357 2.566 20 0 DFADMM COc1cc(CN2CCC(C(=O)[O-])CC2)cc(Cl)c1OC ZINC000820763895 598119767 /nfs/dbraw/zinc/11/97/67/598119767.db2.gz KTQYJYBCVZSFQE-UHFFFAOYSA-N -1 1 313.781 2.654 20 0 DFADMM O=C([O-])C[C@@H]1CCCN(Cc2c(Cl)nc3ccccn32)C1 ZINC000821515664 598151539 /nfs/dbraw/zinc/15/15/39/598151539.db2.gz LGVCWRJDHCAJIK-NSHDSACASA-N -1 1 307.781 2.674 20 0 DFADMM O=C([O-])c1cccc(CNCc2cn3cc(Cl)ccc3n2)c1 ZINC000821552321 598194218 /nfs/dbraw/zinc/19/42/18/598194218.db2.gz IEHFFZKCXCZTIF-UHFFFAOYSA-N -1 1 315.760 2.976 20 0 DFADMM O=C([O-])c1cccc(CNCc2cccnc2OCC(F)F)c1 ZINC000263422384 598204947 /nfs/dbraw/zinc/20/49/47/598204947.db2.gz PHICXESKNWJSRO-UHFFFAOYSA-N -1 1 322.311 2.714 20 0 DFADMM CCc1cc(Oc2nccnc2-c2nn[n-]n2)ccc1Cl ZINC000736676897 598336359 /nfs/dbraw/zinc/33/63/59/598336359.db2.gz HRBOKNHRMUZABY-UHFFFAOYSA-N -1 1 302.725 2.665 20 0 DFADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)c1ccc(F)c(Cl)c1 ZINC000736135967 598348492 /nfs/dbraw/zinc/34/84/92/598348492.db2.gz CPSAOBRGIMHHRK-SSDOTTSWSA-N -1 1 319.731 2.622 20 0 DFADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)c1ccc(F)c(Cl)c1 ZINC000736135967 598348494 /nfs/dbraw/zinc/34/84/94/598348494.db2.gz CPSAOBRGIMHHRK-SSDOTTSWSA-N -1 1 319.731 2.622 20 0 DFADMM CCC1(C)CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000736395972 598578740 /nfs/dbraw/zinc/57/87/40/598578740.db2.gz KTYYYBAMQUPYMU-UHFFFAOYSA-N -1 1 306.801 2.932 20 0 DFADMM CCC1(C)CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000736395972 598578742 /nfs/dbraw/zinc/57/87/42/598578742.db2.gz KTYYYBAMQUPYMU-UHFFFAOYSA-N -1 1 306.801 2.932 20 0 DFADMM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(SCCF)n1 ZINC000737243514 599303908 /nfs/dbraw/zinc/30/39/08/599303908.db2.gz ACAYDNUBXXNRHI-UHFFFAOYSA-N -1 1 307.276 2.651 20 0 DFADMM Cc1[nH]c2ccc(CNc3cccc(-c4nnn[n-]4)n3)cc2c1C ZINC000737200935 599419120 /nfs/dbraw/zinc/41/91/20/599419120.db2.gz WOZVGUPGTNZZAV-UHFFFAOYSA-N -1 1 319.372 2.972 20 0 DFADMM Cc1[nH]c2ccc(CNc3cccc(-c4nn[n-]n4)n3)cc2c1C ZINC000737200935 599419121 /nfs/dbraw/zinc/41/91/21/599419121.db2.gz WOZVGUPGTNZZAV-UHFFFAOYSA-N -1 1 319.372 2.972 20 0 DFADMM Clc1cccc(CCCNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000737574477 599420496 /nfs/dbraw/zinc/42/04/96/599420496.db2.gz KPKKRYJRJUETCM-UHFFFAOYSA-N -1 1 314.780 2.960 20 0 DFADMM Clc1cccc(CCCNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000737574477 599420498 /nfs/dbraw/zinc/42/04/98/599420498.db2.gz KPKKRYJRJUETCM-UHFFFAOYSA-N -1 1 314.780 2.960 20 0 DFADMM CC(C)c1ccccc1OCCNc1cccc(-c2nnn[n-]2)n1 ZINC000735932754 599436301 /nfs/dbraw/zinc/43/63/01/599436301.db2.gz QSGHGSOQDIIJQO-UHFFFAOYSA-N -1 1 324.388 2.876 20 0 DFADMM CC(C)c1ccccc1OCCNc1cccc(-c2nn[n-]n2)n1 ZINC000735932754 599436303 /nfs/dbraw/zinc/43/63/03/599436303.db2.gz QSGHGSOQDIIJQO-UHFFFAOYSA-N -1 1 324.388 2.876 20 0 DFADMM C[C@@]1(c2ccccc2)CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000736230973 599438755 /nfs/dbraw/zinc/43/87/55/599438755.db2.gz VHOYAGRVYOYKOE-GOSISDBHSA-N -1 1 320.400 2.820 20 0 DFADMM C[C@@]1(c2ccccc2)CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000736230973 599438756 /nfs/dbraw/zinc/43/87/56/599438756.db2.gz VHOYAGRVYOYKOE-GOSISDBHSA-N -1 1 320.400 2.820 20 0 DFADMM Fc1ccccc1C1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000737665812 599441906 /nfs/dbraw/zinc/44/19/06/599441906.db2.gz VOUVCBVCQBXPQT-UHFFFAOYSA-N -1 1 324.363 2.785 20 0 DFADMM Fc1ccccc1C1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000737665812 599441908 /nfs/dbraw/zinc/44/19/08/599441908.db2.gz VOUVCBVCQBXPQT-UHFFFAOYSA-N -1 1 324.363 2.785 20 0 DFADMM c1csc(CCNc2cc(-c3nnn[n-]3)nc3ccccc32)n1 ZINC000823796770 599507713 /nfs/dbraw/zinc/50/77/13/599507713.db2.gz GDWDSSNKYYKYIW-UHFFFAOYSA-N -1 1 323.385 2.526 20 0 DFADMM c1csc(CCNc2cc(-c3nn[n-]n3)nc3ccccc32)n1 ZINC000823796770 599507715 /nfs/dbraw/zinc/50/77/15/599507715.db2.gz GDWDSSNKYYKYIW-UHFFFAOYSA-N -1 1 323.385 2.526 20 0 DFADMM CC(C)C[C@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000820068537 599686556 /nfs/dbraw/zinc/68/65/56/599686556.db2.gz RMQYPKDCCLSMKC-SNVBAGLBSA-N -1 1 306.801 2.788 20 0 DFADMM CC(C)C[C@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000820068537 599686557 /nfs/dbraw/zinc/68/65/57/599686557.db2.gz RMQYPKDCCLSMKC-SNVBAGLBSA-N -1 1 306.801 2.788 20 0 DFADMM CC(C)(C)c1nc2ccc(NC(=O)CCCNC(=O)[O-])cc2[nH]1 ZINC000736303865 599742985 /nfs/dbraw/zinc/74/29/85/599742985.db2.gz QASCWJWYVMQBPE-UHFFFAOYSA-N -1 1 318.377 2.847 20 0 DFADMM O=C([O-])NCCCC(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000739960389 599754655 /nfs/dbraw/zinc/75/46/55/599754655.db2.gz JUYCVZIFCVMQRP-UHFFFAOYSA-N -1 1 316.361 2.817 20 0 DFADMM COc1ccc([C@@H](NCc2cccc(F)c2F)C(=O)[O-])cc1 ZINC000737971681 599860547 /nfs/dbraw/zinc/86/05/47/599860547.db2.gz SXOADIRBWPDXTB-OAHLLOKOSA-N -1 1 307.296 2.889 20 0 DFADMM CN(CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)CC(C)(C)C ZINC000737400204 599995035 /nfs/dbraw/zinc/99/50/35/599995035.db2.gz YECWMXUKCRGKRB-UHFFFAOYSA-N -1 1 324.446 2.851 20 0 DFADMM CCC[C@@](C)(NCC(=O)N1c2ccccc2CC[C@H]1C)C(=O)[O-] ZINC000736965109 600151954 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C[C@@H](OC(=O)C1(NC(=O)[O-])CC1)c1nc2ccc(Cl)cc2[nH]1 ZINC000825543319 604655680 /nfs/dbraw/zinc/65/56/80/604655680.db2.gz CCFBBSZGGCCEBF-SSDOTTSWSA-N -1 1 323.736 2.621 20 0 DFADMM C[C@H](c1ccc([S@](C)=O)cc1)N(C)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833548383 604683153 /nfs/dbraw/zinc/68/31/53/604683153.db2.gz OGNADKFKZWYXRL-XFNZEKPQSA-N -1 1 320.414 2.643 20 0 DFADMM CC1(C)CCc2cc(CN3CC[C@@](F)(C(=O)[O-])C3)ccc2O1 ZINC000833560251 604683291 /nfs/dbraw/zinc/68/32/91/604683291.db2.gz JQGVKUBYBJGVIV-KRWDZBQOSA-N -1 1 307.365 2.789 20 0 DFADMM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cccc2nc[nH]c21)c1ccccc1 ZINC000833411928 604870424 /nfs/dbraw/zinc/87/04/24/604870424.db2.gz QWCRMFRAJSZYPN-ABAIWWIYSA-N -1 1 323.352 2.755 20 0 DFADMM C[C@H](NCCN(C)C(=O)[O-])c1ccc(F)cc1OC(F)F ZINC000825497200 604955094 /nfs/dbraw/zinc/95/50/94/604955094.db2.gz ZTKKLPLFHZDKMB-QMMMGPOBSA-N -1 1 306.284 2.688 20 0 DFADMM O=C([O-])C[C@H]1CCCN1CN1C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000833211127 604983563 /nfs/dbraw/zinc/98/35/63/604983563.db2.gz SSKAELXOLPJSIP-ZIAGYGMSSA-N -1 1 322.792 2.510 20 0 DFADMM Cc1ccc(OC(F)F)c(CN[C@H](C(=O)[O-])c2cccnc2)c1 ZINC000832950564 605007330 /nfs/dbraw/zinc/00/73/30/605007330.db2.gz IVRSXPOSQFSECS-AWEZNQCLSA-N -1 1 322.311 2.907 20 0 DFADMM CC(C)c1nc([C@H](C)NC(=O)c2cccc(NC(=O)[O-])c2)n[nH]1 ZINC000833513010 605023744 /nfs/dbraw/zinc/02/37/44/605023744.db2.gz XXNPPMQKBHWRMU-VIFPVBQESA-N -1 1 317.349 2.509 20 0 DFADMM CCC[C@H](C(=O)Nc1cccc(CSCC(=O)[O-])c1)N(C)C ZINC000833648104 605041369 /nfs/dbraw/zinc/04/13/69/605041369.db2.gz PEORCVTZSBUXFM-CQSZACIVSA-N -1 1 324.446 2.673 20 0 DFADMM CC(C)n1cccc1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833513246 605058758 /nfs/dbraw/zinc/05/87/58/605058758.db2.gz HRJXBLOURYJOFV-UHFFFAOYSA-N -1 1 312.329 2.896 20 0 DFADMM C[C@H](Oc1ccc(CN[C@@H](C)c2ccccn2)cc1)C(=O)[O-] ZINC000833538313 605085244 /nfs/dbraw/zinc/08/52/44/605085244.db2.gz CLRIHPSIUCFDMM-STQMWFEESA-N -1 1 300.358 2.784 20 0 DFADMM CC(=O)N1CC[C@@H](NCc2ccoc2C(=O)[O-])c2ccccc21 ZINC000833394476 605122386 /nfs/dbraw/zinc/12/23/86/605122386.db2.gz QUBFUKJHLTZWRO-CQSZACIVSA-N -1 1 314.341 2.565 20 0 DFADMM CC(C)CC1(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)CCCC1 ZINC000833481932 605157017 /nfs/dbraw/zinc/15/70/17/605157017.db2.gz XZGHNIRKLGEUIU-HNNXBMFYSA-N -1 1 324.465 2.600 20 0 DFADMM CCN1C[C@@H](C)N(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)C[C@@H]1C ZINC000833659002 605159889 /nfs/dbraw/zinc/15/98/89/605159889.db2.gz XMKGXLDIRSRCPA-QWHCGFSZSA-N -1 1 319.405 2.640 20 0 DFADMM CC(C)CC[C@@H]1CCCN1Cc1nc(C(C)(C)NC(=O)[O-])no1 ZINC000824233159 605280659 /nfs/dbraw/zinc/28/06/59/605280659.db2.gz VYICBMNMRDWVLC-LBPRGKRZSA-N -1 1 324.425 2.973 20 0 DFADMM Cc1csc([C@H]2CCCN2C[C@H]2CC(C(=O)[O-])=C(C)O2)n1 ZINC000833586243 605329590 /nfs/dbraw/zinc/32/95/90/605329590.db2.gz XKUDXUOXSAUKNN-DGCLKSJQSA-N -1 1 308.403 2.736 20 0 DFADMM C[C@H](C(=O)OCc1ccccc1C(=O)[O-])N1CCCCCC1 ZINC000833409469 605509867 /nfs/dbraw/zinc/50/98/67/605509867.db2.gz MKMNYPLUQINGKG-CYBMUJFWSA-N -1 1 305.374 2.693 20 0 DFADMM O=C([O-])NC[C@H]1CCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC000834225121 605573154 /nfs/dbraw/zinc/57/31/54/605573154.db2.gz GNHREVKLPKWHGE-GFCCVEGCSA-N -1 1 317.414 2.900 20 0 DFADMM O=C([O-])NC[C@H]1CCN(Cc2cnc(C3CCCC3)s2)C1 ZINC000834225260 605573289 /nfs/dbraw/zinc/57/32/89/605573289.db2.gz JROMAXQXJCGUAU-LLVKDONJSA-N -1 1 309.435 2.890 20 0 DFADMM O=C([O-])NC[C@@H]1CCC[C@H]1NCc1c(F)c(F)cc(F)c1F ZINC000834215905 605642918 /nfs/dbraw/zinc/64/29/18/605642918.db2.gz QRDKHJRRMPDFRK-WRWORJQWSA-N -1 1 320.286 2.769 20 0 DFADMM O=C([O-])NC[C@@H]1CCCC[C@H]1Nc1cnn(-c2ccncc2)c1 ZINC000834222258 605659098 /nfs/dbraw/zinc/65/90/98/605659098.db2.gz NOCOGWKMGITXBM-SWLSCSKDSA-N -1 1 315.377 2.506 20 0 DFADMM C[C@H](CCN[C@@H](C)c1ncc(Br)s1)NC(=O)[O-] ZINC000833805617 605848350 /nfs/dbraw/zinc/84/83/50/605848350.db2.gz RZADGJVMXRPVHD-RQJHMYQMSA-N -1 1 322.228 2.602 20 0 DFADMM O=C([O-])N1CCC2(C[C@H]2C(=O)Nc2cccc(Cl)c2O)CC1 ZINC000834053362 605927915 /nfs/dbraw/zinc/92/79/15/605927915.db2.gz LQTCXECDKULKCZ-VIFPVBQESA-N -1 1 324.764 2.764 20 0 DFADMM O=C([O-])N[C@@H]1CCC[C@H]1NCc1c(F)cccc1OC(F)F ZINC000834176307 605987572 /nfs/dbraw/zinc/98/75/72/605987572.db2.gz RZKBMNWSSUAKRZ-GHMZBOCLSA-N -1 1 318.295 2.705 20 0 DFADMM C[C@H]1C[C@H](CNC(=O)[O-])CN1Cc1cc(Cl)cc2c1OCC2 ZINC000833827759 606030320 /nfs/dbraw/zinc/03/03/20/606030320.db2.gz AEGDKOIAMPUPBB-WDEREUQCSA-N -1 1 324.808 2.753 20 0 DFADMM CCO[C@H](CCNc1ccc(Cl)c(-c2nnn[n-]2)n1)C(C)C ZINC000821351318 606040151 /nfs/dbraw/zinc/04/01/51/606040151.db2.gz PLLCJWPXHUFNQV-LLVKDONJSA-N -1 1 324.816 2.778 20 0 DFADMM CCO[C@H](CCNc1ccc(Cl)c(-c2nn[n-]n2)n1)C(C)C ZINC000821351318 606040155 /nfs/dbraw/zinc/04/01/55/606040155.db2.gz PLLCJWPXHUFNQV-LLVKDONJSA-N -1 1 324.816 2.778 20 0 DFADMM CCCCCCC(=O)N(C)c1snc(C)c1-c1nnn[n-]1 ZINC000821050086 606236999 /nfs/dbraw/zinc/23/69/99/606236999.db2.gz PJGOHQZCTACZQJ-UHFFFAOYSA-N -1 1 308.411 2.565 20 0 DFADMM CCCCCCC(=O)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC000821050086 606237001 /nfs/dbraw/zinc/23/70/01/606237001.db2.gz PJGOHQZCTACZQJ-UHFFFAOYSA-N -1 1 308.411 2.565 20 0 DFADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1coc2ccccc12 ZINC000823294931 606298570 /nfs/dbraw/zinc/29/85/70/606298570.db2.gz YBQIMADDRICUKW-UHFFFAOYSA-N -1 1 321.296 2.571 20 0 DFADMM CCCCO[C@@H]1C[C@H](Nc2cccc(-c3nnn[n-]3)n2)C1(C)C ZINC000821071513 606402674 /nfs/dbraw/zinc/40/26/74/606402674.db2.gz GZVYPZRJMRKKHQ-QWHCGFSZSA-N -1 1 316.409 2.657 20 0 DFADMM CCCCO[C@@H]1C[C@H](Nc2cccc(-c3nn[n-]n3)n2)C1(C)C ZINC000821071513 606402676 /nfs/dbraw/zinc/40/26/76/606402676.db2.gz GZVYPZRJMRKKHQ-QWHCGFSZSA-N -1 1 316.409 2.657 20 0 DFADMM Fc1cccc(F)c1Oc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000822791910 606440595 /nfs/dbraw/zinc/44/05/95/606440595.db2.gz MVYRQBMUFUKZLS-UHFFFAOYSA-N -1 1 309.663 2.986 20 0 DFADMM Fc1cccc(F)c1Oc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000822791910 606440596 /nfs/dbraw/zinc/44/05/96/606440596.db2.gz MVYRQBMUFUKZLS-UHFFFAOYSA-N -1 1 309.663 2.986 20 0 DFADMM Clc1ccc(N2CCC[C@H]2C2CCC2)nc1-c1nnn[n-]1 ZINC000822573547 606464405 /nfs/dbraw/zinc/46/44/05/606464405.db2.gz AFWQKQNWXSEYCI-NSHDSACASA-N -1 1 304.785 2.684 20 0 DFADMM Clc1ccc(N2CCC[C@H]2C2CCC2)nc1-c1nn[n-]n1 ZINC000822573547 606464407 /nfs/dbraw/zinc/46/44/07/606464407.db2.gz AFWQKQNWXSEYCI-NSHDSACASA-N -1 1 304.785 2.684 20 0 DFADMM CCO[C@H]1C[C@@H](Nc2cccc(-c3nnn[n-]3)n2)C1(CC)CC ZINC000821359670 606477650 /nfs/dbraw/zinc/47/76/50/606477650.db2.gz ORAPMVFWZXDPAA-OLZOCXBDSA-N -1 1 316.409 2.657 20 0 DFADMM CCO[C@H]1C[C@@H](Nc2cccc(-c3nn[n-]n3)n2)C1(CC)CC ZINC000821359670 606477652 /nfs/dbraw/zinc/47/76/52/606477652.db2.gz ORAPMVFWZXDPAA-OLZOCXBDSA-N -1 1 316.409 2.657 20 0 DFADMM Cc1ccccc1[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822345175 606494271 /nfs/dbraw/zinc/49/42/71/606494271.db2.gz HATZKFZYEBYZED-JTQLQIEISA-N -1 1 313.386 2.728 20 0 DFADMM Cc1ccccc1[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822345175 606494273 /nfs/dbraw/zinc/49/42/73/606494273.db2.gz HATZKFZYEBYZED-JTQLQIEISA-N -1 1 313.386 2.728 20 0 DFADMM C[C@H](c1ccccc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820563810 606494628 /nfs/dbraw/zinc/49/46/28/606494628.db2.gz VNLRYFDUIKLIFJ-SNVBAGLBSA-N -1 1 313.386 2.761 20 0 DFADMM C[C@H](c1ccccc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820563810 606494630 /nfs/dbraw/zinc/49/46/30/606494630.db2.gz VNLRYFDUIKLIFJ-SNVBAGLBSA-N -1 1 313.386 2.761 20 0 DFADMM CC1CCC(N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000820690352 606494927 /nfs/dbraw/zinc/49/49/27/606494927.db2.gz KGERIJWECSMBEG-UHFFFAOYSA-N -1 1 305.407 2.579 20 0 DFADMM CC1CCC(N(C)C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000820690352 606494929 /nfs/dbraw/zinc/49/49/29/606494929.db2.gz KGERIJWECSMBEG-UHFFFAOYSA-N -1 1 305.407 2.579 20 0 DFADMM C[C@H]1CCC[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820698105 606504569 /nfs/dbraw/zinc/50/45/69/606504569.db2.gz PXMUNJZRLYOEQP-UWVGGRQHSA-N -1 1 305.407 2.579 20 0 DFADMM C[C@H]1CCC[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820698105 606504571 /nfs/dbraw/zinc/50/45/71/606504571.db2.gz PXMUNJZRLYOEQP-UWVGGRQHSA-N -1 1 305.407 2.579 20 0 DFADMM CCC1CCC(N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000820971324 606504673 /nfs/dbraw/zinc/50/46/73/606504673.db2.gz BXGIEIQJTSDUPN-UHFFFAOYSA-N -1 1 319.434 2.969 20 0 DFADMM CCC1CCC(N(C)C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000820971324 606504675 /nfs/dbraw/zinc/50/46/75/606504675.db2.gz BXGIEIQJTSDUPN-UHFFFAOYSA-N -1 1 319.434 2.969 20 0 DFADMM CC(C)(C)CCCCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819908297 606551125 /nfs/dbraw/zinc/55/11/25/606551125.db2.gz ZSIYFIYUQCEOAH-UHFFFAOYSA-N -1 1 307.423 2.874 20 0 DFADMM CC(C)(C)CCCCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819908297 606551127 /nfs/dbraw/zinc/55/11/27/606551127.db2.gz ZSIYFIYUQCEOAH-UHFFFAOYSA-N -1 1 307.423 2.874 20 0 DFADMM CC[C@@H]1CCCCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820979082 606569403 /nfs/dbraw/zinc/56/94/03/606569403.db2.gz DYMWNXAIKPAOGC-SNVBAGLBSA-N -1 1 305.407 2.723 20 0 DFADMM CC[C@@H]1CCCCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820979082 606569405 /nfs/dbraw/zinc/56/94/05/606569405.db2.gz DYMWNXAIKPAOGC-SNVBAGLBSA-N -1 1 305.407 2.723 20 0 DFADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C1CCCCC1 ZINC000820390178 606570347 /nfs/dbraw/zinc/57/03/47/606570347.db2.gz FVPYQHORXOQQIX-SECBINFHSA-N -1 1 305.407 2.627 20 0 DFADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C1CCCCC1 ZINC000820390178 606570348 /nfs/dbraw/zinc/57/03/48/606570348.db2.gz FVPYQHORXOQQIX-SECBINFHSA-N -1 1 305.407 2.627 20 0 DFADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(F)cc1F ZINC000736137048 606592181 /nfs/dbraw/zinc/59/21/81/606592181.db2.gz JYLICWVFDOYEJD-QMMMGPOBSA-N -1 1 302.288 2.713 20 0 DFADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(F)cc1F ZINC000736137048 606592183 /nfs/dbraw/zinc/59/21/83/606592183.db2.gz JYLICWVFDOYEJD-QMMMGPOBSA-N -1 1 302.288 2.713 20 0 DFADMM CC(C)c1ccc(N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000820191901 606936290 /nfs/dbraw/zinc/93/62/90/606936290.db2.gz ABVKVGUNCQJXPF-UHFFFAOYSA-N -1 1 322.372 2.662 20 0 DFADMM CC(C)c1ccc(N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000820191901 606936291 /nfs/dbraw/zinc/93/62/91/606936291.db2.gz ABVKVGUNCQJXPF-UHFFFAOYSA-N -1 1 322.372 2.662 20 0 DFADMM CC(C)C[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820068874 607052206 /nfs/dbraw/zinc/05/22/06/607052206.db2.gz VLVVMBOTWGCNCG-NSHDSACASA-N -1 1 319.434 2.827 20 0 DFADMM CC(C)C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820068874 607052208 /nfs/dbraw/zinc/05/22/08/607052208.db2.gz VLVVMBOTWGCNCG-NSHDSACASA-N -1 1 319.434 2.827 20 0 DFADMM CC(C)C[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820068873 607052511 /nfs/dbraw/zinc/05/25/11/607052511.db2.gz VLVVMBOTWGCNCG-LLVKDONJSA-N -1 1 319.434 2.827 20 0 DFADMM CC(C)C[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820068873 607052512 /nfs/dbraw/zinc/05/25/12/607052512.db2.gz VLVVMBOTWGCNCG-LLVKDONJSA-N -1 1 319.434 2.827 20 0 DFADMM CC(C)OCc1cccc(Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC000824314856 607896996 /nfs/dbraw/zinc/89/69/96/607896996.db2.gz IJXRXOQIDSOFSE-UHFFFAOYSA-N -1 1 310.361 2.930 20 0 DFADMM CC(C)OCc1cccc(Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC000824314856 607896997 /nfs/dbraw/zinc/89/69/97/607896997.db2.gz IJXRXOQIDSOFSE-UHFFFAOYSA-N -1 1 310.361 2.930 20 0 DFADMM Cc1ccc(C[C@@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826287200 607900271 /nfs/dbraw/zinc/90/02/71/607900271.db2.gz GZSCKUMRNZWIGI-HNNXBMFYSA-N -1 1 320.400 2.782 20 0 DFADMM Cc1ccc(C[C@@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826287200 607900272 /nfs/dbraw/zinc/90/02/72/607900272.db2.gz GZSCKUMRNZWIGI-HNNXBMFYSA-N -1 1 320.400 2.782 20 0 DFADMM C[C@@H]1CCN(c2cccc(-c3nnn[n-]3)n2)[C@@H]1c1cccc(F)c1 ZINC000824962116 607900644 /nfs/dbraw/zinc/90/06/44/607900644.db2.gz OLRVINCAFHQLEH-BZNIZROVSA-N -1 1 324.363 2.988 20 0 DFADMM C[C@@H]1CCN(c2cccc(-c3nn[n-]n3)n2)[C@@H]1c1cccc(F)c1 ZINC000824962116 607900645 /nfs/dbraw/zinc/90/06/45/607900645.db2.gz OLRVINCAFHQLEH-BZNIZROVSA-N -1 1 324.363 2.988 20 0 DFADMM CC(C)Oc1cccc(CN(C)c2cccc(-c3nnn[n-]3)n2)c1 ZINC000824334457 607903479 /nfs/dbraw/zinc/90/34/79/607903479.db2.gz UUPAGGXNQSAXSV-UHFFFAOYSA-N -1 1 324.388 2.685 20 0 DFADMM CC(C)Oc1cccc(CN(C)c2cccc(-c3nn[n-]n3)n2)c1 ZINC000824334457 607903480 /nfs/dbraw/zinc/90/34/80/607903480.db2.gz UUPAGGXNQSAXSV-UHFFFAOYSA-N -1 1 324.388 2.685 20 0 DFADMM CCOc1cc(F)ccc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000825616186 608027114 /nfs/dbraw/zinc/02/71/14/608027114.db2.gz ZCYZWERJZUGNFP-UHFFFAOYSA-N -1 1 303.297 2.610 20 0 DFADMM CCOc1cc(F)ccc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000825616186 608027115 /nfs/dbraw/zinc/02/71/15/608027115.db2.gz ZCYZWERJZUGNFP-UHFFFAOYSA-N -1 1 303.297 2.610 20 0 DFADMM COc1ccc(F)c(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000826208810 608113407 /nfs/dbraw/zinc/11/34/07/608113407.db2.gz ATVWEGZGVKEOAE-UHFFFAOYSA-N -1 1 305.338 2.688 20 0 DFADMM C[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC12CCC2 ZINC000824962035 608196223 /nfs/dbraw/zinc/19/62/23/608196223.db2.gz MZMPJZSIISVAEV-QMMMGPOBSA-N -1 1 324.841 2.993 20 0 DFADMM C[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC12CCC2 ZINC000824962035 608196224 /nfs/dbraw/zinc/19/62/24/608196224.db2.gz MZMPJZSIISVAEV-QMMMGPOBSA-N -1 1 324.841 2.993 20 0 DFADMM Clc1ccc(Oc2ccc(-c3nnn[n-]3)nn2)c(Cl)c1 ZINC000826352701 608389053 /nfs/dbraw/zinc/38/90/53/608389053.db2.gz KZTGXCMQOVQAQY-UHFFFAOYSA-N -1 1 309.116 2.756 20 0 DFADMM Clc1ccc(Oc2ccc(-c3nn[n-]n3)nn2)c(Cl)c1 ZINC000826352701 608389055 /nfs/dbraw/zinc/38/90/55/608389055.db2.gz KZTGXCMQOVQAQY-UHFFFAOYSA-N -1 1 309.116 2.756 20 0 DFADMM c1cc(Nc2ccc(-c3nnn[n-]3)nn2)cc(OC2CCCC2)c1 ZINC000826517345 608396009 /nfs/dbraw/zinc/39/60/09/608396009.db2.gz ZFJDQHOFROVULR-UHFFFAOYSA-N -1 1 323.360 2.722 20 0 DFADMM c1cc(Nc2ccc(-c3nn[n-]n3)nn2)cc(OC2CCCC2)c1 ZINC000826517345 608396011 /nfs/dbraw/zinc/39/60/11/608396011.db2.gz ZFJDQHOFROVULR-UHFFFAOYSA-N -1 1 323.360 2.722 20 0 DFADMM c1ccc(C2CCC(Nc3ccc(-c4nnn[n-]4)nn3)CC2)cc1 ZINC000826520947 608397186 /nfs/dbraw/zinc/39/71/86/608397186.db2.gz VXLSYZDHRDYILX-UHFFFAOYSA-N -1 1 321.388 2.795 20 0 DFADMM c1ccc(C2CCC(Nc3ccc(-c4nn[n-]n4)nn3)CC2)cc1 ZINC000826520947 608397187 /nfs/dbraw/zinc/39/71/87/608397187.db2.gz VXLSYZDHRDYILX-UHFFFAOYSA-N -1 1 321.388 2.795 20 0 DFADMM CC(C)CC[C@@H]1CCC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824245329 608411134 /nfs/dbraw/zinc/41/11/34/608411134.db2.gz XTIVBCLMQRLNTQ-RYUDHWBXSA-N -1 1 301.398 2.674 20 0 DFADMM CC(C)CC[C@@H]1CCC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824245329 608411135 /nfs/dbraw/zinc/41/11/35/608411135.db2.gz XTIVBCLMQRLNTQ-RYUDHWBXSA-N -1 1 301.398 2.674 20 0 DFADMM CC(C)CC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C ZINC000824243593 608419135 /nfs/dbraw/zinc/41/91/35/608419135.db2.gz JUPZBRXJCNPXLM-GFCCVEGCSA-N -1 1 303.414 2.920 20 0 DFADMM CC(C)CC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C ZINC000824243593 608419136 /nfs/dbraw/zinc/41/91/36/608419136.db2.gz JUPZBRXJCNPXLM-GFCCVEGCSA-N -1 1 303.414 2.920 20 0 DFADMM c1cc(-c2nnn[n-]2)nnc1NC(C1CCCC1)C1CCCC1 ZINC000826514663 608419999 /nfs/dbraw/zinc/41/99/99/608419999.db2.gz YPVLBOOAGSIUHN-UHFFFAOYSA-N -1 1 313.409 2.818 20 0 DFADMM c1cc(-c2nn[n-]n2)nnc1NC(C1CCCC1)C1CCCC1 ZINC000826514663 608420000 /nfs/dbraw/zinc/42/00/00/608420000.db2.gz YPVLBOOAGSIUHN-UHFFFAOYSA-N -1 1 313.409 2.818 20 0 DFADMM CC(C)(C)C1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000824080647 608432881 /nfs/dbraw/zinc/43/28/81/608432881.db2.gz YYRPFPXYLQGSRN-UHFFFAOYSA-N -1 1 315.425 2.921 20 0 DFADMM CC(C)(C)C1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000824080647 608432882 /nfs/dbraw/zinc/43/28/82/608432882.db2.gz YYRPFPXYLQGSRN-UHFFFAOYSA-N -1 1 315.425 2.921 20 0 DFADMM Cc1ccc(-c2nn[n-]n2)nc1NCCCOC1CCCCC1 ZINC000826280994 608543383 /nfs/dbraw/zinc/54/33/83/608543383.db2.gz ZBZMDNQMAMFGFP-UHFFFAOYSA-N -1 1 316.409 2.721 20 0 DFADMM CCc1nc(CN(C)Cc2ccc(-c3nn[n-]n3)s2)cs1 ZINC000825745127 608635407 /nfs/dbraw/zinc/63/54/07/608635407.db2.gz ILXNCCQFVLOHSC-UHFFFAOYSA-N -1 1 320.447 2.579 20 0 DFADMM FC(F)CN(Cc1ccc(-c2nnn[n-]2)o1)Cc1ccccc1 ZINC000826369807 608733129 /nfs/dbraw/zinc/73/31/29/608733129.db2.gz RIAJYHAXOUYKSE-UHFFFAOYSA-N -1 1 319.315 2.727 20 0 DFADMM FC(F)CN(Cc1ccc(-c2nn[n-]n2)o1)Cc1ccccc1 ZINC000826369807 608733130 /nfs/dbraw/zinc/73/31/30/608733130.db2.gz RIAJYHAXOUYKSE-UHFFFAOYSA-N -1 1 319.315 2.727 20 0 DFADMM Cc1ccsc1COC(=O)c1sccc1-c1nn[n-]n1 ZINC000826316758 609338416 /nfs/dbraw/zinc/33/84/16/609338416.db2.gz XZKZPNRITSAHSU-UHFFFAOYSA-N -1 1 306.372 2.655 20 0 DFADMM Cc1cc(C)cc([C@H]2CCN(c3cccc(-c4nnn[n-]4)n3)C2)c1 ZINC000826264536 609602793 /nfs/dbraw/zinc/60/27/93/609602793.db2.gz RODIBFCHCSHFRE-AWEZNQCLSA-N -1 1 320.400 2.872 20 0 DFADMM Cc1cc(C)cc([C@H]2CCN(c3cccc(-c4nn[n-]n4)n3)C2)c1 ZINC000826264536 609602796 /nfs/dbraw/zinc/60/27/96/609602796.db2.gz RODIBFCHCSHFRE-AWEZNQCLSA-N -1 1 320.400 2.872 20 0 DFADMM CCc1ccc([C@@H](COC)NC(=O)c2ccc([O-])cc2F)o1 ZINC000181234606 199268763 /nfs/dbraw/zinc/26/87/63/199268763.db2.gz PYQFIEGXLZZXMP-CQSZACIVSA-N -1 1 307.321 2.804 20 0 DFADMM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cc(C2CC2)n[nH]1 ZINC000278297616 214074512 /nfs/dbraw/zinc/07/45/12/214074512.db2.gz CMXCLBJIWBELIO-UHFFFAOYSA-N -1 1 321.402 2.713 20 0 DFADMM [O-]c1ccc(-c2noc(-c3cnn4c3CCCC4)n2)c(F)c1 ZINC000278318600 214087392 /nfs/dbraw/zinc/08/73/92/214087392.db2.gz YQNLZXJYAMDNDJ-UHFFFAOYSA-N -1 1 300.293 2.781 20 0 DFADMM Cc1ccc(C(C)(C)C(=O)/N=c2\ccnc3n(C)[n-]cc2-3)cc1 ZINC000279226312 214720728 /nfs/dbraw/zinc/72/07/28/214720728.db2.gz OHNDXBIMDLZBLV-RCCKNPSSSA-N -1 1 308.385 2.567 20 0 DFADMM Cn1c(CNC(=O)C(C)(C)c2cccc(Cl)c2)n[n-]c1=S ZINC000076591153 185025633 /nfs/dbraw/zinc/02/56/33/185025633.db2.gz DLKVMXOHPFQFPY-UHFFFAOYSA-N -1 1 324.837 2.725 20 0 DFADMM C[C@@H]1CN(C(=O)c2ccc([O-])cc2F)C[C@H]1C(=O)OC(C)(C)C ZINC000412965271 295664739 /nfs/dbraw/zinc/66/47/39/295664739.db2.gz FTQKNYMVIMFSJC-ZWNOBZJWSA-N -1 1 323.364 2.581 20 0 DFADMM C[C@@H](Cn1ccc2ccccc21)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000286550531 219049514 /nfs/dbraw/zinc/04/95/14/219049514.db2.gz UUHDKILCNDKJCD-XJKSGUPXSA-N -1 1 302.374 2.852 20 0 DFADMM CCC[C@H](C)S(=O)(=O)[N-]c1c(C)csc1C(=O)OC ZINC000515851347 300322464 /nfs/dbraw/zinc/32/24/64/300322464.db2.gz DTWKRODVCMXMLQ-VIFPVBQESA-N -1 1 305.421 2.773 20 0 DFADMM CCc1nc(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)[n-]c(=O)c1C ZINC000005625525 398352399 /nfs/dbraw/zinc/35/23/99/398352399.db2.gz CBXOCWCDFXMTEK-QWRGUYRKSA-N -1 1 323.462 2.522 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000081837170 398374095 /nfs/dbraw/zinc/37/40/95/398374095.db2.gz AMRUXULQLIDIGF-RYUDHWBXSA-N -1 1 321.446 2.911 20 0 DFADMM CCC[C@@H](NC(=O)c1cccc(-c2ccoc2)c1)c1nn[n-]n1 ZINC000090061021 185280016 /nfs/dbraw/zinc/28/00/16/185280016.db2.gz VWZQOYLTOKOJFX-CQSZACIVSA-N -1 1 311.345 2.731 20 0 DFADMM Cn1c(CNC(=O)C[C@H]2CCCc3ccccc32)n[n-]c1=S ZINC000066625493 398388827 /nfs/dbraw/zinc/38/88/27/398388827.db2.gz HTJKZOCNEPONAM-GFCCVEGCSA-N -1 1 316.430 2.604 20 0 DFADMM CSc1nc(C)c(CCC(=O)Nc2ccc(F)cc2)c(=O)[n-]1 ZINC000014206646 398389413 /nfs/dbraw/zinc/38/94/13/398389413.db2.gz FECGNUBTEBJLDE-UHFFFAOYSA-N -1 1 321.377 2.511 20 0 DFADMM COCCN(Cc1ccc(C)o1)C(=O)c1cc(F)ccc1[O-] ZINC000092601892 185328639 /nfs/dbraw/zinc/32/86/39/185328639.db2.gz SVFMDRXKTACMOC-UHFFFAOYSA-N -1 1 307.321 2.722 20 0 DFADMM CC(C)Cc1ccc([C@H](NCc2n[nH]c(=O)[n-]2)C(C)C)cc1 ZINC000092619203 185330061 /nfs/dbraw/zinc/33/00/61/185330061.db2.gz TTWPFHPSWGWZNH-MRXNPFEDSA-N -1 1 302.422 2.783 20 0 DFADMM O=C(CSc1nncn1-c1ccccc1)c1ccc([O-])cc1 ZINC000015806989 398397376 /nfs/dbraw/zinc/39/73/76/398397376.db2.gz KNRWWAFFQIWVPL-UHFFFAOYSA-N -1 1 311.366 2.948 20 0 DFADMM O=C(NCCc1ccc2c(c1)OCO2)c1cc(Cl)ccc1[O-] ZINC000021937346 398414645 /nfs/dbraw/zinc/41/46/45/398414645.db2.gz BOAFSVUPBUKTHQ-UHFFFAOYSA-N -1 1 319.744 2.747 20 0 DFADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1nccn1Cc1ccccc1 ZINC000584838999 398420115 /nfs/dbraw/zinc/42/01/15/398420115.db2.gz PXTSHDZXGPJHAT-GOEBONIOSA-N -1 1 313.401 2.617 20 0 DFADMM CCOC(=O)c1cnc(NC(=O)[C@@H]2CCCC[C@H]2C2CC2)[n-]1 ZINC000592630154 398458011 /nfs/dbraw/zinc/45/80/11/398458011.db2.gz GSNAHKGRHHURSL-NWDGAFQWSA-N -1 1 305.378 2.741 20 0 DFADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H]2CCCC[C@H]2C2CC2)n1 ZINC000592630154 398458012 /nfs/dbraw/zinc/45/80/12/398458012.db2.gz GSNAHKGRHHURSL-NWDGAFQWSA-N -1 1 305.378 2.741 20 0 DFADMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2ccccc2)n1 ZINC000017946289 282371317 /nfs/dbraw/zinc/37/13/17/282371317.db2.gz HRXLNWVCCRYRGJ-NSHDSACASA-N -1 1 317.414 2.842 20 0 DFADMM COc1cc(F)c(S(=O)(=O)[N-]CC2CCCCC2)c(F)c1 ZINC000588673362 398502470 /nfs/dbraw/zinc/50/24/70/398502470.db2.gz WFDIYITXUXHUSA-UHFFFAOYSA-N -1 1 319.373 2.832 20 0 DFADMM CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(OC)cc1F)C(C)C ZINC000588679323 398503908 /nfs/dbraw/zinc/50/39/08/398503908.db2.gz CNUBFQVZDLOSHD-GFCCVEGCSA-N -1 1 307.362 2.686 20 0 DFADMM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](c1ncccc1C)C(C)C ZINC000115583889 185695876 /nfs/dbraw/zinc/69/58/76/185695876.db2.gz KVSBGVQZVIKCSL-CYBMUJFWSA-N -1 1 323.418 2.670 20 0 DFADMM O=C(Nc1ccncc1[O-])c1cnc(Oc2ccccc2)cn1 ZINC000091245065 398523949 /nfs/dbraw/zinc/52/39/49/398523949.db2.gz MEPJYXCAGMFUAF-UHFFFAOYSA-N -1 1 308.297 2.622 20 0 DFADMM CC(C)Oc1cc(CNC(=O)c2ccc([O-])c(F)c2)ccn1 ZINC000681058390 545591306 /nfs/dbraw/zinc/59/13/06/545591306.db2.gz OFXUGLLOLLRKPT-UHFFFAOYSA-N -1 1 304.321 2.644 20 0 DFADMM O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccc([O-])c(F)c1 ZINC000681058377 545591345 /nfs/dbraw/zinc/59/13/45/545591345.db2.gz NOIKXTHFHUOBBQ-KCPJHIHWSA-N -1 1 305.349 2.609 20 0 DFADMM Cc1cnc(C(=O)N2CCC[C@H](CC(C)(C)C(N)=O)C2)c([O-])c1 ZINC000331346153 233132151 /nfs/dbraw/zinc/13/21/51/233132151.db2.gz VWSNXNVOHRLATO-GFCCVEGCSA-N -1 1 319.405 2.899 20 0 DFADMM COc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1NC(C)=O ZINC000081936361 282642013 /nfs/dbraw/zinc/64/20/13/282642013.db2.gz HYCYPXNQCAPDOJ-UHFFFAOYSA-N -1 1 318.304 2.751 20 0 DFADMM CC[C@H](C(=O)[O-])[N@@H+](C)Cc1c2ccccc2sc1C(=O)OC ZINC000593289356 398590852 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ZINC000277245603 213391726 /nfs/dbraw/zinc/39/17/26/213391726.db2.gz JNTVNNVXDBKITI-CYBMUJFWSA-N -1 1 319.357 2.911 20 0 DFADMM Cc1nc(SCCC(=O)Nc2cccc(F)c2)[n-]c(=O)c1C ZINC000096609130 398660585 /nfs/dbraw/zinc/66/05/85/398660585.db2.gz VVFHCEUHYPAAQJ-UHFFFAOYSA-N -1 1 321.377 2.647 20 0 DFADMM CC(C)CN1CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)CC1 ZINC000172360041 198085157 /nfs/dbraw/zinc/08/51/57/198085157.db2.gz AJBNMKJTXLROHZ-UHFFFAOYSA-N -1 1 319.430 2.530 20 0 DFADMM CCOC(=O)c1sc(NC(=O)c2cc(F)ccc2[O-])nc1C ZINC000124768565 282871181 /nfs/dbraw/zinc/87/11/81/282871181.db2.gz HQTXDIPUPYYUAM-UHFFFAOYSA-N -1 1 324.333 2.725 20 0 DFADMM CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000593890152 398700893 /nfs/dbraw/zinc/70/08/93/398700893.db2.gz LZYOKWJAQNGQLP-GFCCVEGCSA-N -1 1 311.353 2.724 20 0 DFADMM COc1ccc2c(c1)[n-]cc(C(=O)N1CCC(C)(C)C1)c2=O ZINC000174825207 198390168 /nfs/dbraw/zinc/39/01/68/198390168.db2.gz JVEYYPXNWACTRT-UHFFFAOYSA-N -1 1 300.358 2.821 20 0 DFADMM 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399237551 /nfs/dbraw/zinc/23/75/51/399237551.db2.gz PQDXKCLETLPEOQ-UHFFFAOYSA-N -1 1 319.405 2.842 20 0 DFADMM O=C(C1CCC(C2CC2)CC1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000614475737 399238319 /nfs/dbraw/zinc/23/83/19/399238319.db2.gz RXAQHBVJFULRPW-UHFFFAOYSA-N -1 1 319.405 2.698 20 0 DFADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)ccc2C)c1 ZINC000024257359 182377976 /nfs/dbraw/zinc/37/79/76/182377976.db2.gz MMHAIXSQUNHBCG-UHFFFAOYSA-N -1 1 323.345 2.722 20 0 DFADMM C[C@H]1Cc2ccccc2N1CCNC(=O)c1cc(F)ccc1[O-] ZINC000622332879 399247267 /nfs/dbraw/zinc/24/72/67/399247267.db2.gz BKIRWQJRAYGQFG-LBPRGKRZSA-N -1 1 314.360 2.712 20 0 DFADMM CCC(CC)N1C[C@@H](C(=O)Nc2c([O-])cccc2F)CC1=O ZINC000608366957 399257110 /nfs/dbraw/zinc/25/71/10/399257110.db2.gz RAYUWDWFHOEURV-JTQLQIEISA-N -1 1 308.353 2.507 20 0 DFADMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1c(C)cccc1F ZINC000421242388 296242990 /nfs/dbraw/zinc/24/29/90/296242990.db2.gz ZCCDCGNCWAPRCS-GFCCVEGCSA-N -1 1 303.399 2.937 20 0 DFADMM 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COc1ccc([C@H](NCc2cnn(C(C)C)c2)C(=O)[O-])cc1F ZINC000426798009 296641047 /nfs/dbraw/zinc/64/10/47/296641047.db2.gz CXFYLTKJGFLCKD-HNNXBMFYSA-N -1 1 321.352 2.527 20 0 DFADMM Cc1n[nH]c(C)c1[C@H]1COCCN1Cc1cccc([O-])c1Cl ZINC000351781795 286217264 /nfs/dbraw/zinc/21/72/64/286217264.db2.gz OSNIMTBNGSIOTP-CYBMUJFWSA-N -1 1 321.808 2.959 20 0 DFADMM Cc1cc(C)n(CCSc2nc(C(F)F)cc(=O)[n-]2)n1 ZINC000351890096 286238238 /nfs/dbraw/zinc/23/82/38/286238238.db2.gz TVNXAOFNHHDWQT-UHFFFAOYSA-N -1 1 300.334 2.725 20 0 DFADMM O=c1cc(/C=C\c2cc(Cl)cc(Cl)c2)nc2nc[n-]n21 ZINC000352034624 286275595 /nfs/dbraw/zinc/27/55/95/286275595.db2.gz FLWVIWZMZYTDKI-UPHRSURJSA-N -1 1 307.140 2.895 20 0 DFADMM O=c1cc(/C=C\c2ccc(F)c(C(F)(F)F)c2)nc2nc[n-]n21 ZINC000352036201 286276012 /nfs/dbraw/zinc/27/60/12/286276012.db2.gz XRHDDBFSYUHJQK-IWQZZHSRSA-N -1 1 324.237 2.746 20 0 DFADMM Cc1cnc(C(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)c([O-])c1 ZINC000427758077 296667295 /nfs/dbraw/zinc/66/72/95/296667295.db2.gz ZMGDULSEMNNGHD-LBPRGKRZSA-N -1 1 300.358 2.504 20 0 DFADMM CCOC(=O)c1cnc(NC(=O)C[C@@H](C)c2ccccc2F)[n-]1 ZINC000352157968 286307794 /nfs/dbraw/zinc/30/77/94/286307794.db2.gz CBPCIRDTKKUYCB-SNVBAGLBSA-N -1 1 319.336 2.858 20 0 DFADMM CCOC(=O)c1c[n-]c(NC(=O)C[C@@H](C)c2ccccc2F)n1 ZINC000352157968 286307796 /nfs/dbraw/zinc/30/77/96/286307796.db2.gz CBPCIRDTKKUYCB-SNVBAGLBSA-N -1 1 319.336 2.858 20 0 DFADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H](C)c2c(F)cccc2F)n1 ZINC000352164206 286309759 /nfs/dbraw/zinc/30/97/59/286309759.db2.gz NVVVYYYEXUYDMW-MRVPVSSYSA-N -1 1 323.299 2.607 20 0 DFADMM CC(C)c1ccc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)cc1 ZINC000352352813 286350904 /nfs/dbraw/zinc/35/09/04/286350904.db2.gz NTYAKTYVIWRTSY-UHFFFAOYSA-N -1 1 321.380 2.977 20 0 DFADMM CCc1c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)ccn1C ZINC000352497211 286388916 /nfs/dbraw/zinc/38/89/16/286388916.db2.gz GHDOKQKYZFXCBR-UHFFFAOYSA-N -1 1 310.357 2.936 20 0 DFADMM O=C(N[C@H]1CC[C@H](c2ccc(F)cc2)C1)c1ncccc1[O-] ZINC000352523003 286397266 /nfs/dbraw/zinc/39/72/66/286397266.db2.gz JGBAYAAFHNGBLQ-JSGCOSHPSA-N -1 1 300.333 2.992 20 0 DFADMM Cc1ccc2c([O-])c(C(=O)N3C[C@@H]4CCCC[C@H]4C3)cnc2n1 ZINC000176210673 292304717 /nfs/dbraw/zinc/30/47/17/292304717.db2.gz LRJMAJXOWSSBRL-STQMWFEESA-N -1 1 311.385 2.906 20 0 DFADMM Cc1ccc2c(=O)c(C(=O)N3C[C@@H]4CCCC[C@H]4C3)c[n-]c2n1 ZINC000176210673 292304721 /nfs/dbraw/zinc/30/47/21/292304721.db2.gz LRJMAJXOWSSBRL-STQMWFEESA-N -1 1 311.385 2.906 20 0 DFADMM O=C1CN(Cc2cccc([O-])c2Cl)CCN1c1ccccc1 ZINC000352926195 286504433 /nfs/dbraw/zinc/50/44/33/286504433.db2.gz UGGLYMHBKWXPQE-UHFFFAOYSA-N -1 1 316.788 2.894 20 0 DFADMM C[C@H](CN(C)C(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1)c1nn[n-]n1 ZINC000183452033 158018593 /nfs/dbraw/zinc/01/85/93/158018593.db2.gz UXMVQIZJOMLOKE-XQQFMLRXSA-N -1 1 307.442 2.614 20 0 DFADMM O=S(=O)([N-]C1CCSCC1)c1c(F)cccc1Cl ZINC000185568953 158063888 /nfs/dbraw/zinc/06/38/88/158063888.db2.gz GJCRCTGEJOMTKR-UHFFFAOYSA-N -1 1 309.815 2.653 20 0 DFADMM O=C(Nc1ccc(-n2cccn2)c(Cl)c1)c1cncc([O-])c1 ZINC000339928984 158222352 /nfs/dbraw/zinc/22/23/52/158222352.db2.gz ILGOMZPWLJBRCG-UHFFFAOYSA-N -1 1 314.732 2.879 20 0 DFADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)nc2)c(C)c1 ZINC000355088730 158270973 /nfs/dbraw/zinc/27/09/73/158270973.db2.gz VHKFIELZXRKRHC-UHFFFAOYSA-N -1 1 322.386 2.598 20 0 DFADMM CC(C)[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)N1CCCC1=O ZINC000129632708 196063876 /nfs/dbraw/zinc/06/38/76/196063876.db2.gz KEOAVABWVCMNSG-AWEZNQCLSA-N -1 1 310.781 2.631 20 0 DFADMM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ncccc2[O-])C1(CC)CC ZINC000130761703 196108154 /nfs/dbraw/zinc/10/81/54/196108154.db2.gz YLXOWLMYBXGKSH-ZIAGYGMSSA-N -1 1 306.406 2.843 20 0 DFADMM COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ncccc3[O-])C2)cc1 ZINC000131780466 196198037 /nfs/dbraw/zinc/19/80/37/196198037.db2.gz WKEHJMFFYNZROL-TZMCWYRMSA-N -1 1 312.369 2.814 20 0 DFADMM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000132811091 196285642 /nfs/dbraw/zinc/28/56/42/196285642.db2.gz DVHKTAPYEIMFFC-GFCCVEGCSA-N -1 1 323.817 2.555 20 0 DFADMM CCC[C@H](CCO)C[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000132925580 196296942 /nfs/dbraw/zinc/29/69/42/196296942.db2.gz KRAHNZSFWNHYIZ-SNVBAGLBSA-N -1 1 323.817 2.556 20 0 DFADMM O=C(c1cc(F)ccc1[O-])N1CCO[C@@H](c2cccs2)C1 ZINC000134351661 196380539 /nfs/dbraw/zinc/38/05/39/196380539.db2.gz FBYMCTZOFWQWIH-CYBMUJFWSA-N -1 1 307.346 2.807 20 0 DFADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@@H](Cc2ccncc2)C1 ZINC000681068411 545592671 /nfs/dbraw/zinc/59/26/71/545592671.db2.gz OAKASSKSRXPMLS-ZDUSSCGKSA-N -1 1 300.333 2.631 20 0 DFADMM CO[C@@H](C)CN(C(=O)c1ncc2ccccc2c1[O-])C(C)C ZINC000669086321 543905981 /nfs/dbraw/zinc/90/59/81/543905981.db2.gz JJRWOBUZVAMJNL-LBPRGKRZSA-N -1 1 302.374 2.826 20 0 DFADMM O=C(c1ncc2ccccc2c1[O-])N1CCC(c2cc[nH]n2)CC1 ZINC000668963495 543891719 /nfs/dbraw/zinc/89/17/19/543891719.db2.gz DHFFQSHFYUTWRZ-UHFFFAOYSA-N -1 1 322.368 2.683 20 0 DFADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc3nccn3c2)c1 ZINC000669668995 543981534 /nfs/dbraw/zinc/98/15/34/543981534.db2.gz CSNKYGUIPSSUIC-UHFFFAOYSA-N -1 1 317.370 2.534 20 0 DFADMM CCc1cc(=O)[n-]c(SC[C@H]2COc3ccccc3O2)n1 ZINC000671164877 544058390 /nfs/dbraw/zinc/05/83/90/544058390.db2.gz VWLIIQYRTZTXDZ-LLVKDONJSA-N -1 1 304.371 2.677 20 0 DFADMM CN(C(=O)c1ccc([O-])c(F)c1)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000671534698 544084470 /nfs/dbraw/zinc/08/44/70/544084470.db2.gz YTOPJESIBGJFCL-GOEBONIOSA-N -1 1 316.332 2.529 20 0 DFADMM C[C@@H]1CCN(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)C1 ZINC000671663468 544095186 /nfs/dbraw/zinc/09/51/86/544095186.db2.gz ODTVTMGSSSBWIU-LLVKDONJSA-N -1 1 323.443 2.809 20 0 DFADMM Cc1[nH]nc(C(=O)Nc2csc(-c3ccccc3)n2)c1[O-] ZINC000672332125 544134485 /nfs/dbraw/zinc/13/44/85/544134485.db2.gz QJXCXBFMLBJTAV-UHFFFAOYSA-N -1 1 300.343 2.800 20 0 DFADMM O=C(Nc1nc(-c2ccccc2)c[nH]1)C(=O)c1ccc([O-])cc1 ZINC000673052587 544166135 /nfs/dbraw/zinc/16/61/35/544166135.db2.gz JSUGUTHOMSBNQO-UHFFFAOYSA-N -1 1 307.309 2.604 20 0 DFADMM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000673059632 544166720 /nfs/dbraw/zinc/16/67/20/544166720.db2.gz LREJEXCHHYLPQX-GXSJLCMTSA-N -1 1 315.291 2.764 20 0 DFADMM O=C(Nc1ccncc1[O-])c1cccc(Oc2nccs2)c1 ZINC000673934757 544209078 /nfs/dbraw/zinc/20/90/78/544209078.db2.gz MWQDJOHVIOCGJT-UHFFFAOYSA-N -1 1 313.338 2.710 20 0 DFADMM COc1cccc2c1OCC[C@H]2NC(=O)c1cc(F)ccc1[O-] ZINC000674323942 544231674 /nfs/dbraw/zinc/23/16/74/544231674.db2.gz JYQGFFNJAYXLRT-CYBMUJFWSA-N -1 1 317.316 2.794 20 0 DFADMM CCC[C@H](NC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1)c1nn[n-]n1 ZINC000675144953 544287377 /nfs/dbraw/zinc/28/73/77/544287377.db2.gz XMEISKCXGRGMJG-DRZSPHRISA-N -1 1 317.393 2.506 20 0 DFADMM O=C(Nc1ccc(F)cc1[O-])c1csc(-c2ncccn2)n1 ZINC000676055272 544353317 /nfs/dbraw/zinc/35/33/17/544353317.db2.gz HMALGMFWQIGLJM-UHFFFAOYSA-N -1 1 316.317 2.697 20 0 DFADMM COc1ccc(COCC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000676055794 544353339 /nfs/dbraw/zinc/35/33/39/544353339.db2.gz OXRPDYFWOPNYAP-UHFFFAOYSA-N -1 1 305.305 2.695 20 0 DFADMM COc1cc(F)c(S(=O)(=O)[N-][C@H](C)CC(C)C)c(F)c1 ZINC000676894688 544413225 /nfs/dbraw/zinc/41/32/25/544413225.db2.gz WAKPIBCOLWKMOY-SECBINFHSA-N -1 1 307.362 2.686 20 0 DFADMM O=C(Nc1ccc2c(cnn2C(F)F)c1)c1cncc([O-])c1 ZINC000676626674 544388935 /nfs/dbraw/zinc/38/89/35/544388935.db2.gz LZBNIUQKAXBNAV-UHFFFAOYSA-N -1 1 304.256 2.784 20 0 DFADMM Cc1[nH]nc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)c1[O-] ZINC000676631451 544389466 /nfs/dbraw/zinc/38/94/66/544389466.db2.gz VMXZTTZZKIFELT-UHFFFAOYSA-N -1 1 315.251 2.617 20 0 DFADMM O=C1CCc2cc(-c3nc4cccc(F)c4c(=O)[n-]3)ccc2N1 ZINC000676634612 544389702 /nfs/dbraw/zinc/38/97/02/544389702.db2.gz MMYIEUIGEZDZCC-UHFFFAOYSA-N -1 1 309.300 2.614 20 0 DFADMM Cc1nc(S(=O)(=O)[N-][C@H](C)c2cccs2)sc1C ZINC000676413610 544375783 /nfs/dbraw/zinc/37/57/83/544375783.db2.gz WZFPMTVLUDEMIP-MRVPVSSYSA-N -1 1 302.446 2.861 20 0 DFADMM Cc1nc(S(=O)(=O)[N-][C@@H]2C[C@@]2(C)c2ccccc2)sc1C ZINC000676416784 544375860 /nfs/dbraw/zinc/37/58/60/544375860.db2.gz SYOFFVVVMNAKDZ-HIFRSBDPSA-N -1 1 322.455 2.768 20 0 DFADMM CC1(C)CCC[C@H](C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)C1 ZINC000677403488 544482674 /nfs/dbraw/zinc/48/26/74/544482674.db2.gz RHGBURJELDSUND-KBPBESRZSA-N -1 1 313.405 2.622 20 0 DFADMM CCS(=O)(=O)c1cccc(C(=O)Nc2c([O-])cccc2F)c1 ZINC000677842062 544548824 /nfs/dbraw/zinc/54/88/24/544548824.db2.gz FLBONCUIWOBRQW-UHFFFAOYSA-N -1 1 323.345 2.577 20 0 DFADMM Cc1nc(S(=O)(=O)[N-]Cc2ccc(F)c(F)c2)sc1C ZINC000435220776 296955143 /nfs/dbraw/zinc/95/51/43/296955143.db2.gz SEUGGDNGDZWFFU-UHFFFAOYSA-N -1 1 318.370 2.517 20 0 DFADMM Cc1cc(S(=O)(=O)[N-]c2[nH]nc(C(F)(F)F)c2C)c(C)o1 ZINC000678944298 544755078 /nfs/dbraw/zinc/75/50/78/544755078.db2.gz QEAWPAOPJMKGIM-UHFFFAOYSA-N -1 1 323.296 2.748 20 0 DFADMM Cc1nc(SCc2nc3ccccc3c(=O)[nH]2)[n-]c(=O)c1C ZINC000679009183 544767083 /nfs/dbraw/zinc/76/70/83/544767083.db2.gz IPQVJFMEPAKHDS-UHFFFAOYSA-N -1 1 314.370 2.740 20 0 DFADMM C([N-]c1nnc([C@H]2CCCO2)o1)c1nc2c(s1)CCCC2 ZINC000679120596 544787593 /nfs/dbraw/zinc/78/75/93/544787593.db2.gz UCPJENNNZAPZIB-SNVBAGLBSA-N -1 1 306.391 2.869 20 0 DFADMM CCn1cc(CC(=O)[N-]O[C@H]2CCCCO2)c2ccccc21 ZINC000299722899 229361935 /nfs/dbraw/zinc/36/19/35/229361935.db2.gz XRDTWGAPXRXKIN-KRWDZBQOSA-N -1 1 302.374 2.778 20 0 DFADMM Cc1nc(-c2ccc(NCCOCC3CC3)nc2)[n-]c(=O)c1C ZINC000301383216 229660542 /nfs/dbraw/zinc/66/05/42/229660542.db2.gz BEBBJAXQKUQPIV-UHFFFAOYSA-N -1 1 314.389 2.700 20 0 DFADMM Cc1ccc(S(=O)(=O)[N-]c2ccnc(C)c2Cl)c(F)c1 ZINC000679647719 544890083 /nfs/dbraw/zinc/89/00/83/544890083.db2.gz MITWIBTZBVCSIE-UHFFFAOYSA-N -1 1 314.769 2.714 20 0 DFADMM CCc1nnc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)s1 ZINC000680024072 544945044 /nfs/dbraw/zinc/94/50/44/544945044.db2.gz CZCQHSXHNGVQIO-UHFFFAOYSA-N -1 1 322.337 2.907 20 0 DFADMM O=C(NCC1(c2ccccn2)CC1)c1cc(Cl)ccc1[O-] ZINC000680369148 544999198 /nfs/dbraw/zinc/99/91/98/544999198.db2.gz CZEFIHVSRPRLBU-UHFFFAOYSA-N -1 1 302.761 2.902 20 0 DFADMM COc1ccc2nc(-c3ccc(OC)c(OC)c3)[n-]c(=O)c2c1 ZINC000063580809 425900888 /nfs/dbraw/zinc/90/08/88/425900888.db2.gz RARKISGSDDCDJY-UHFFFAOYSA-N -1 1 312.325 2.616 20 0 DFADMM O=C(c1cc[nH]c1)N1CCC(c2n[n-]c(=S)n2C2CC2)CC1 ZINC000068424910 425917763 /nfs/dbraw/zinc/91/77/63/425917763.db2.gz KNYUZDQKPVXUPS-UHFFFAOYSA-N -1 1 317.418 2.623 20 0 DFADMM C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])C(=O)N1CCCC[C@H]1C ZINC000102477566 425920647 /nfs/dbraw/zinc/92/06/47/425920647.db2.gz RPQIJXSECYAOGB-GHMZBOCLSA-N -1 1 324.808 2.565 20 0 DFADMM CCc1cc(=O)[n-]c(SCc2nc(-c3cccs3)no2)n1 ZINC000009291012 267378032 /nfs/dbraw/zinc/37/80/32/267378032.db2.gz NZIYLSKILKWOCZ-UHFFFAOYSA-N -1 1 320.399 2.736 20 0 DFADMM O=C(NC[C@@H]1Cc2ccccc2O1)c1cc(Cl)ccc1[O-] ZINC000029999036 267394394 /nfs/dbraw/zinc/39/43/94/267394394.db2.gz JRLREPGLKOIJEZ-LBPRGKRZSA-N -1 1 303.745 2.779 20 0 DFADMM O=S(=O)([N-]CCc1cccs1)c1cc(F)ccc1F ZINC000008516997 425669530 /nfs/dbraw/zinc/66/95/30/425669530.db2.gz FYWJSMPVKCADRD-UHFFFAOYSA-N -1 1 303.355 2.547 20 0 DFADMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000014256641 425770628 /nfs/dbraw/zinc/77/06/28/425770628.db2.gz RQOGBQITGBTGHI-UHFFFAOYSA-N -1 1 319.382 2.891 20 0 DFADMM Cc1ccc2[nH]c(C(=O)Nc3n[n-]c(C(F)(F)F)n3)cc2c1 ZINC000036744148 425846381 /nfs/dbraw/zinc/84/63/81/425846381.db2.gz UKBJLTMLHGFNOF-UHFFFAOYSA-N -1 1 309.251 2.866 20 0 DFADMM Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(O)cc3[O-])cn2)n1 ZINC000192595180 268042136 /nfs/dbraw/zinc/04/21/36/268042136.db2.gz DPLJBGUMKDZTMM-UHFFFAOYSA-N -1 1 324.340 2.548 20 0 DFADMM CCOc1cc(C(=O)NCc2ccccn2)cc(Cl)c1[O-] ZINC000193151144 268061970 /nfs/dbraw/zinc/06/19/70/268061970.db2.gz CEFPOGBMKDTZCD-UHFFFAOYSA-N -1 1 306.749 2.769 20 0 DFADMM CC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccc(O)cc1[O-] ZINC000194838469 268118292 /nfs/dbraw/zinc/11/82/92/268118292.db2.gz ITBLETQLOVOIRA-UHFFFAOYSA-N -1 1 320.732 2.962 20 0 DFADMM O=C(N[C@@H]1CCCSC1)c1cc(Br)ccc1[O-] ZINC000226197123 268143741 /nfs/dbraw/zinc/14/37/41/268143741.db2.gz WSCBHXPTWTWENF-SECBINFHSA-N -1 1 316.220 2.780 20 0 DFADMM CCc1cc(=O)[n-]c(S[C@H](C(=O)OC)c2ccccc2C)n1 ZINC000195061708 268125537 /nfs/dbraw/zinc/12/55/37/268125537.db2.gz YHWAFHHELSTCHM-AWEZNQCLSA-N -1 1 318.398 2.647 20 0 DFADMM Cc1ccc(CS(=O)(=O)c2n[n-]c(C(C)(C)C)n2)cc1C ZINC000195166355 268128424 /nfs/dbraw/zinc/12/84/24/268128424.db2.gz NJKKYBVGQTZLNA-UHFFFAOYSA-N -1 1 307.419 2.693 20 0 DFADMM O=S(=O)([N-]C[C@@H]1CCCSC1)c1cc(Cl)ccc1F ZINC000287440095 268277282 /nfs/dbraw/zinc/27/72/82/268277282.db2.gz NPCPWXNMLOTMKX-VIFPVBQESA-N -1 1 323.842 2.901 20 0 DFADMM C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)c1cncc([O-])c1 ZINC000295529770 268293814 /nfs/dbraw/zinc/29/38/14/268293814.db2.gz XXNQZQIXLNKNFN-AEJSXWLSSA-N -1 1 302.296 2.979 20 0 DFADMM Cc1ccoc1CNC(=O)c1ccc(Br)cc1[O-] ZINC000311157121 268337129 /nfs/dbraw/zinc/33/71/29/268337129.db2.gz XMELZKAHXOSNGE-UHFFFAOYSA-N -1 1 310.147 2.986 20 0 DFADMM O=C(Nc1cncc(F)c1)c1cc(Br)ccc1[O-] ZINC000310682453 268337314 /nfs/dbraw/zinc/33/73/14/268337314.db2.gz YGSYFGBANCXDBH-UHFFFAOYSA-N -1 1 311.110 2.941 20 0 DFADMM COCC1(c2noc(-c3ccc(OC)cc3[O-])n2)CCCC1 ZINC000312979591 268338211 /nfs/dbraw/zinc/33/82/11/268338211.db2.gz NSWXKMDVNRJTLN-UHFFFAOYSA-N -1 1 304.346 2.909 20 0 DFADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000315515431 268343132 /nfs/dbraw/zinc/34/31/32/268343132.db2.gz ZSMHNQMLDSKLLR-UHFFFAOYSA-N -1 1 319.382 2.511 20 0 DFADMM CC1(C)CCN(Cc2cccc([O-])c2Cl)CC[S@]1=O ZINC000322101166 268349177 /nfs/dbraw/zinc/34/91/77/268349177.db2.gz JHVOFDFSKNAXBX-LJQANCHMSA-N -1 1 301.839 2.779 20 0 DFADMM O=C(c1ccc([O-])cc1F)N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000317885431 268345822 /nfs/dbraw/zinc/34/58/22/268345822.db2.gz DYUMWTQPCQVUHL-FVQBIDKESA-N -1 1 307.365 2.687 20 0 DFADMM CC[C@@](C)(CNC(=O)c1ccc(Br)cc1[O-])OC ZINC000323217789 268349553 /nfs/dbraw/zinc/34/95/53/268349553.db2.gz KWBINVCAAIEACI-ZDUSSCGKSA-N -1 1 316.195 2.700 20 0 DFADMM C[C@@H](CC1CCCC1)C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000331375997 268356598 /nfs/dbraw/zinc/35/65/98/268356598.db2.gz CBJARCNEHSHCPV-NSHDSACASA-N -1 1 307.394 2.698 20 0 DFADMM Cc1ccnc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000332665429 268360322 /nfs/dbraw/zinc/36/03/22/268360322.db2.gz QPISUGRFEDTVQD-LLVKDONJSA-N -1 1 318.398 2.823 20 0 DFADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cn1 ZINC000332671736 268361048 /nfs/dbraw/zinc/36/10/48/268361048.db2.gz SBPLCGPKQZCVMV-UHFFFAOYSA-N -1 1 318.398 2.904 20 0 DFADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCc3ccccc3C2)sc1C ZINC000333020925 268369587 /nfs/dbraw/zinc/36/95/87/268369587.db2.gz IYMUXQOIARVCGM-CQSZACIVSA-N -1 1 322.455 2.596 20 0 DFADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)NC1CCCCC1 ZINC000333206118 268382238 /nfs/dbraw/zinc/38/22/38/268382238.db2.gz APUXZRWOWYHZON-UHFFFAOYSA-N -1 1 307.419 2.601 20 0 DFADMM Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccncc1[O-] ZINC000125124042 425954313 /nfs/dbraw/zinc/95/43/13/425954313.db2.gz IYXLLSBEYCPMEI-UHFFFAOYSA-N 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/nfs/dbraw/zinc/05/86/42/426058642.db2.gz POEQGZPEPBOAII-UHFFFAOYSA-N -1 1 311.746 2.870 20 0 DFADMM Cc1nc2cc([N-]S(=O)(=O)c3cccc(C)c3)ccc2n1C ZINC000074985733 426059557 /nfs/dbraw/zinc/05/95/57/426059557.db2.gz URSZJWOQJSELLD-UHFFFAOYSA-N -1 1 315.398 2.991 20 0 DFADMM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(-c2ccccc2)nn1 ZINC000162386878 426062544 /nfs/dbraw/zinc/06/25/44/426062544.db2.gz ZHXTVCYVRUGWAU-HNNXBMFYSA-N -1 1 314.345 2.723 20 0 DFADMM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(-c2ccccc2)nn1 ZINC000162386878 426062546 /nfs/dbraw/zinc/06/25/46/426062546.db2.gz ZHXTVCYVRUGWAU-HNNXBMFYSA-N -1 1 314.345 2.723 20 0 DFADMM Cc1ccc(Cc2nnc([N-]C(=O)c3ccon3)s2)cc1 ZINC000108348774 426014216 /nfs/dbraw/zinc/01/42/16/426014216.db2.gz HSMDFYCCCZVCIH-UHFFFAOYSA-N -1 1 300.343 2.678 20 0 DFADMM O=C(N[C@@H]1CCOc2c(Cl)cccc21)c1ncccc1[O-] ZINC000338054906 268611821 /nfs/dbraw/zinc/61/18/21/268611821.db2.gz VGXSSECSTYDFRL-LLVKDONJSA-N -1 1 304.733 2.694 20 0 DFADMM O=C1CN(Cc2ccccc2)[C@@H](c2ccc([O-])c(Cl)c2)N1 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CC(C)(C(=O)Nc1n[n-]c(C(F)(F)F)n1)c1cccc(F)c1 ZINC000134664760 426192325 /nfs/dbraw/zinc/19/23/25/426192325.db2.gz TWFZJBSDSYGRTE-UHFFFAOYSA-N -1 1 316.258 2.879 20 0 DFADMM O=C(NCCCn1cnc2ccccc21)c1cc(F)ccc1[O-] ZINC000081931795 426227302 /nfs/dbraw/zinc/22/73/02/426227302.db2.gz RPUQROSLINRMKR-UHFFFAOYSA-N -1 1 313.332 2.701 20 0 DFADMM CCC[C@]1(C)CCCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000173329265 426238331 /nfs/dbraw/zinc/23/83/31/426238331.db2.gz QTMLUUNZKFPURE-GOSISDBHSA-N -1 1 313.401 2.966 20 0 DFADMM C[C@H]1CN(C(=O)c2ccc(O)cc2[O-])c2ccc(F)cc2O1 ZINC000173530373 426243006 /nfs/dbraw/zinc/24/30/06/426243006.db2.gz QDFQUWRYZYTROW-VIFPVBQESA-N -1 1 303.289 2.665 20 0 DFADMM CCC[C@H](NC(=O)c1csc2ccccc12)c1nn[n-]n1 ZINC000136638834 426243895 /nfs/dbraw/zinc/24/38/95/426243895.db2.gz OTDISINOWORIEW-NSHDSACASA-N -1 1 301.375 2.686 20 0 DFADMM CCC[C@@H](NC(=O)C[C@H](C)c1ccc(CC)cc1)c1nn[n-]n1 ZINC000136674958 426245305 /nfs/dbraw/zinc/24/53/05/426245305.db2.gz LQKLFYWVIPDWQL-SWLSCSKDSA-N 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/nfs/dbraw/zinc/29/25/93/426292593.db2.gz JRQISPIWOSVIIO-UHFFFAOYSA-N -1 1 317.295 2.519 20 0 DFADMM C[C@@H](C(=O)Nc1cc(-c2nccn2C)n[nH]1)c1ccccc1F ZINC000119629994 426301038 /nfs/dbraw/zinc/30/10/38/426301038.db2.gz JKIOCJGRZWPMDZ-SNVBAGLBSA-N -1 1 313.336 2.692 20 0 DFADMM C[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc2c(c1)OCCO2 ZINC000175759143 426325787 /nfs/dbraw/zinc/32/57/87/426325787.db2.gz OCUVXHRIMYTIEX-SSDOTTSWSA-N -1 1 307.243 2.535 20 0 DFADMM C[C@@H]1COCCN1c1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000152155201 426330057 /nfs/dbraw/zinc/33/00/57/426330057.db2.gz YNHLPKNRFXHBIH-CYBMUJFWSA-N -1 1 312.369 2.870 20 0 DFADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)nc2)cc1C ZINC000121294114 426332715 /nfs/dbraw/zinc/33/27/15/426332715.db2.gz DGHLYAQFJRCTGP-UHFFFAOYSA-N -1 1 306.387 2.816 20 0 DFADMM Cn1ccnc1-c1cc(NC(=O)CCCc2ccccc2)[nH]n1 ZINC000119322618 426278149 /nfs/dbraw/zinc/27/81/49/426278149.db2.gz LPAQUNOZQBQLQT-UHFFFAOYSA-N -1 1 309.373 2.772 20 0 DFADMM CN(C(=O)c1c[n-]c2c(cnn2C)c1=O)C1CCC(C)(C)CC1 ZINC000119337645 426280710 /nfs/dbraw/zinc/28/07/10/426280710.db2.gz QBRKCWTYNBQTBP-UHFFFAOYSA-N -1 1 316.405 2.715 20 0 DFADMM O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ncccc1[O-] ZINC000153677279 426399045 /nfs/dbraw/zinc/39/90/45/426399045.db2.gz WZHDGQBHDOHZDG-CABCVRRESA-N -1 1 316.332 2.576 20 0 DFADMM Cc1cc(NC(=O)c2cc(F)ccc2[O-])ccc1C(=O)N(C)C ZINC000091732720 426343400 /nfs/dbraw/zinc/34/34/00/426343400.db2.gz RZBPLLVWZSHZJM-UHFFFAOYSA-N -1 1 316.332 2.794 20 0 DFADMM O=C(N[C@H]1CCCC[C@H]1n1cccn1)c1cc(F)ccc1[O-] ZINC000091992178 426346310 /nfs/dbraw/zinc/34/63/10/426346310.db2.gz XMUHNWBNMCPZSV-UONOGXRCSA-N -1 1 303.337 2.642 20 0 DFADMM Cc1cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c(F)cc1F ZINC000176155063 426355767 /nfs/dbraw/zinc/35/57/67/426355767.db2.gz HUGIUUKKCHDECW-UHFFFAOYSA-N -1 1 306.194 2.662 20 0 DFADMM Cc1cccc(N(C)C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1 ZINC000176191844 426359087 /nfs/dbraw/zinc/35/90/87/426359087.db2.gz 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O=C(c1cncc([O-])c1)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000178959055 426725879 /nfs/dbraw/zinc/72/58/79/426725879.db2.gz FNZWEKHLGZAHEV-ZDUSSCGKSA-N -1 1 318.760 2.734 20 0 DFADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000281897803 426788338 /nfs/dbraw/zinc/78/83/38/426788338.db2.gz FZGNMTKEAIQOPO-FVQBIDKESA-N -1 1 307.365 2.687 20 0 DFADMM CSc1ccccc1C(=O)Nc1cc(-c2nccn2C)n[nH]1 ZINC000179055805 426742774 /nfs/dbraw/zinc/74/27/74/426742774.db2.gz AQOSSKGBDMLMHX-UHFFFAOYSA-N -1 1 313.386 2.784 20 0 DFADMM CCc1c(NC(=O)c2ccccc2[O-])n[nH]c1-c1ccncc1 ZINC000179537773 426800457 /nfs/dbraw/zinc/80/04/57/426800457.db2.gz COYUAYOQVFBJQA-UHFFFAOYSA-N -1 1 308.341 2.992 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)Cc1cccc(C)c1 ZINC000267034288 426813266 /nfs/dbraw/zinc/81/32/66/426813266.db2.gz SLAZTGJFNMMEBZ-UHFFFAOYSA-N -1 1 317.414 2.793 20 0 DFADMM CCc1cnc(C[N-]S(=O)(=O)c2ccc(Cl)cc2F)o1 ZINC000274672139 426814245 /nfs/dbraw/zinc/81/42/45/426814245.db2.gz IGTVKCNPMHRHBD-UHFFFAOYSA-N -1 1 318.757 2.508 20 0 DFADMM CCc1cnc(C[N-]S(=O)(=O)c2cc(F)ccc2Cl)o1 ZINC000274711711 426822197 /nfs/dbraw/zinc/82/21/97/426822197.db2.gz QNNYKXOUBFSERY-UHFFFAOYSA-N -1 1 318.757 2.508 20 0 DFADMM O=S(=O)([N-]C[C@H](c1ccccc1)C(F)(F)F)c1ccco1 ZINC000188862446 426794136 /nfs/dbraw/zinc/79/41/36/426794136.db2.gz FIJSTLLDZUOOIW-LLVKDONJSA-N -1 1 319.304 2.904 20 0 DFADMM CCNC(=O)c1ccc(NC(=O)c2ccc([O-])cc2F)cc1 ZINC000181149992 426917438 /nfs/dbraw/zinc/91/74/38/426917438.db2.gz RSWINJNAQUCOET-UHFFFAOYSA-N -1 1 302.305 2.533 20 0 DFADMM O=C([N-]O[C@H]1CCCCO1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000247220919 426918418 /nfs/dbraw/zinc/91/84/18/426918418.db2.gz OCPQHCPLLNVBPG-IRXDYDNUSA-N -1 1 318.417 2.616 20 0 DFADMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2CC)cn1 ZINC000181123233 426919947 /nfs/dbraw/zinc/91/99/47/426919947.db2.gz LMDPIZSJYGFIGR-UHFFFAOYSA-N -1 1 306.387 2.844 20 0 DFADMM CCCS(=O)(=O)[N-]c1ccc(Br)c(C2CC2)n1 ZINC000295211930 426864511 /nfs/dbraw/zinc/86/45/11/426864511.db2.gz 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Cc1cc([C@@H]2CCCN(C(=O)c3ccc([O-])cc3F)C2)[nH]n1 ZINC000283709039 427061147 /nfs/dbraw/zinc/06/11/47/427061147.db2.gz ZDVPIDYMNHWKKF-LLVKDONJSA-N -1 1 303.337 2.583 20 0 DFADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCC2(C1)CCCCC2 ZINC000283360263 427001815 /nfs/dbraw/zinc/00/18/15/427001815.db2.gz IZLWWGWIFUXPNV-UHFFFAOYSA-N -1 1 316.430 2.814 20 0 DFADMM CO[C@@H](C)c1nc(=N[C@H]2CCOC3(CCCCC3)C2)s[n-]1 ZINC000337868565 427011842 /nfs/dbraw/zinc/01/18/42/427011842.db2.gz MCBBOMMVQBBYDI-RYUDHWBXSA-N -1 1 311.451 2.961 20 0 DFADMM CC(C)(O)CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])C1CC1 ZINC000190108661 427022382 /nfs/dbraw/zinc/02/23/82/427022382.db2.gz PLBIFDWXVCLGEJ-UHFFFAOYSA-N -1 1 317.307 2.787 20 0 DFADMM COCC[C@H]([N-]S(=O)(=O)c1cccc(F)c1F)C(C)(C)C ZINC000337960598 427062311 /nfs/dbraw/zinc/06/23/11/427062311.db2.gz YDPBSILYEHDOMW-LBPRGKRZSA-N -1 1 321.389 2.694 20 0 DFADMM CO[C@H](C)c1nc(=NCCCCc2nc(C)cs2)s[n-]1 ZINC000337910318 427032050 /nfs/dbraw/zinc/03/20/50/427032050.db2.gz 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1 302.378 2.700 20 0 DFADMM CCc1ncc(S(=O)(=O)[N-]C[C@H]2CCCC(F)(F)C2)s1 ZINC000337232406 427819172 /nfs/dbraw/zinc/81/91/72/427819172.db2.gz JMLIUZWHZCWCFJ-VIFPVBQESA-N -1 1 324.418 2.809 20 0 DFADMM C[C@@H](CCNC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccccc1 ZINC000337261509 427826527 /nfs/dbraw/zinc/82/65/27/427826527.db2.gz YCPINIFSGMFISO-ZDUSSCGKSA-N -1 1 321.380 2.847 20 0 DFADMM CSc1cc2c(cc1NC(=O)c1cncc([O-])c1)OCCO2 ZINC000339826385 427840773 /nfs/dbraw/zinc/84/07/73/427840773.db2.gz PIMRRXHIUGVEJM-UHFFFAOYSA-N -1 1 318.354 2.533 20 0 DFADMM CCN(C(=O)c1cncc([O-])c1)[C@@H](COC)Cc1ccccc1 ZINC000339905558 427867860 /nfs/dbraw/zinc/86/78/60/427867860.db2.gz NPKIGHOLAPOTGI-MRXNPFEDSA-N -1 1 314.385 2.507 20 0 DFADMM COc1ccc2cc(/C=C\c3cc(=O)n4[n-]cnc4n3)ccc2c1 ZINC000339956990 427885117 /nfs/dbraw/zinc/88/51/17/427885117.db2.gz XIFXNXODUPVWAB-UTCJRWHESA-N -1 1 318.336 2.750 20 0 DFADMM O=c1cc(/C=C/c2c(Cl)cccc2Cl)nc2nc[n-]n21 ZINC000339957026 427885693 /nfs/dbraw/zinc/88/56/93/427885693.db2.gz 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COc1ccc(-c2[n-]n(CCc3ccccn3)c(=O)c2C)cc1 ZINC000634614710 430054599 /nfs/dbraw/zinc/05/45/99/430054599.db2.gz KZKQDQDWIDVUOG-ZDUSSCGKSA-N -1 1 309.369 2.515 20 0 DFADMM CCc1c(-c2cccc(OC)c2)[n-]n(CCOC(C)C)c1=O ZINC000634619575 430055773 /nfs/dbraw/zinc/05/57/73/430055773.db2.gz CTIJJWKMHSANGB-HNNXBMFYSA-N -1 1 304.390 2.693 20 0 DFADMM C[C@@H]1CCc2[n-]n(-c3cc(CO)ccc3Br)c(=O)c21 ZINC000634632781 430058863 /nfs/dbraw/zinc/05/88/63/430058863.db2.gz ZJQJRRSQHBSCGJ-AMIZOPFISA-N -1 1 323.190 2.690 20 0 DFADMM CO[C@H](CS(=O)(=O)[N-]c1c(C)ccc2cnccc21)C1CC1 ZINC000634662440 430069095 /nfs/dbraw/zinc/06/90/95/430069095.db2.gz MZFQBTDQFYZIFW-OAHLLOKOSA-N -1 1 320.414 2.710 20 0 DFADMM COc1cccc([N-]S(=O)(=O)Cc2ccc(C)c(C)c2)n1 ZINC000580785013 430153557 /nfs/dbraw/zinc/15/35/57/430153557.db2.gz LCWRDUOXRROEHW-UHFFFAOYSA-N -1 1 306.387 2.649 20 0 DFADMM CCC1([N-]S(=O)(=O)c2cc3ccccc3o2)CCOCC1 ZINC000535620124 430165612 /nfs/dbraw/zinc/16/56/12/430165612.db2.gz GUBQPRXHFDUBNY-UHFFFAOYSA-N -1 1 309.387 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ZINC000566358068 430253624 /nfs/dbraw/zinc/25/36/24/430253624.db2.gz CSRJZTWCBRQIDS-ZDUSSCGKSA-N -1 1 302.399 2.831 20 0 DFADMM C[C@@H](C[N-]S(=O)(=O)c1cc2ccccc2o1)c1nccs1 ZINC000543669307 430257109 /nfs/dbraw/zinc/25/71/09/430257109.db2.gz PDZCTJDUYUSLCQ-JTQLQIEISA-N -1 1 322.411 2.971 20 0 DFADMM CSc1nc(CNC(=O)c2cccc(C3CC3)c2)cc(=O)[n-]1 ZINC000640656395 430227031 /nfs/dbraw/zinc/22/70/31/430227031.db2.gz ZFILBYFOOJUQCB-UHFFFAOYSA-N -1 1 315.398 2.712 20 0 DFADMM CSc1nc(CNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)cc(=O)[n-]1 ZINC000640657102 430228984 /nfs/dbraw/zinc/22/89/84/430228984.db2.gz ATIIEXQDKBHPFT-CHWSQXEVSA-N -1 1 321.446 2.737 20 0 DFADMM CCc1nc(S[C@@H](C)C(=O)N2CCCCCC2)[n-]c(=O)c1C ZINC000581737783 430237759 /nfs/dbraw/zinc/23/77/59/430237759.db2.gz RQXMHXZTVCSJAP-LBPRGKRZSA-N -1 1 323.462 2.936 20 0 DFADMM O=C([O-])[C@@H]1CN(Cc2nccn2C(F)F)C[C@H]1c1ccccc1 ZINC000582359716 430292817 /nfs/dbraw/zinc/29/28/17/430292817.db2.gz GFTAWNDZUGFIQD-QWHCGFSZSA-N -1 1 321.327 2.578 20 0 DFADMM COC(=O)c1ccc(F)c(CN2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000567989672 430301397 /nfs/dbraw/zinc/30/13/97/430301397.db2.gz NEZDZWDDBWNBBQ-GFCCVEGCSA-N -1 1 323.364 2.689 20 0 DFADMM CCN(Cc1ccc(OC)cc1)Cc1ccc(C(=O)[O-])cn1 ZINC000582491060 430305164 /nfs/dbraw/zinc/30/51/64/430305164.db2.gz SWWUJQKZSFBUJQ-UHFFFAOYSA-N -1 1 300.358 2.811 20 0 DFADMM Cc1ccccc1[C@@H](CC(C)C)NC(=O)CCCc1nn[n-]n1 ZINC000635554722 430305752 /nfs/dbraw/zinc/30/57/52/430305752.db2.gz UUHQSKMUNWSDFZ-OAHLLOKOSA-N -1 1 315.421 2.734 20 0 DFADMM CO[C@@H](C)c1nc(CN2CC[C@](C(=O)[O-])(C(C)C)C2)cs1 ZINC000582612751 430316193 /nfs/dbraw/zinc/31/61/93/430316193.db2.gz XHWPTJWMSPADKB-XHDPSFHLSA-N -1 1 312.435 2.783 20 0 DFADMM Fc1ccc2oc(CNC3(c4nnn[n-]4)CCCC3)cc2c1 ZINC000545328825 430317423 /nfs/dbraw/zinc/31/74/23/430317423.db2.gz RDORQYCXZZEHCY-UHFFFAOYSA-N -1 1 301.325 2.644 20 0 DFADMM Fc1ccc2oc(CNC3(c4nn[n-]n4)CCCC3)cc2c1 ZINC000545328825 430317427 /nfs/dbraw/zinc/31/74/27/430317427.db2.gz RDORQYCXZZEHCY-UHFFFAOYSA-N -1 1 301.325 2.644 20 0 DFADMM O=c1cc(C(F)F)nc(SCc2nnc(C3CC3)o2)[n-]1 ZINC000582694229 430323608 /nfs/dbraw/zinc/32/36/08/430323608.db2.gz GKQAALZBKXTWEF-UHFFFAOYSA-N -1 1 300.290 2.673 20 0 DFADMM O=C([O-])[C@@H](C1CC1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000582790893 430333431 /nfs/dbraw/zinc/33/34/31/430333431.db2.gz KCBDWOMCNYRWJS-ZIAGYGMSSA-N -1 1 313.756 2.716 20 0 DFADMM CC[N@@H+](Cc1nc(-c2ccco2)no1)C1CCC(C(=O)[O-])CC1 ZINC000582797512 430335748 /nfs/dbraw/zinc/33/57/48/430335748.db2.gz RMSVEMWAQLRIPQ-UHFFFAOYSA-N -1 1 319.361 2.795 20 0 DFADMM Cc1ccccc1[C@H](NC(=O)CCCc1nn[n-]n1)C(C)(C)C ZINC000635658379 430339025 /nfs/dbraw/zinc/33/90/25/430339025.db2.gz JXUANBDVCQTAMG-INIZCTEOSA-N -1 1 315.421 2.734 20 0 DFADMM CC(C)(O)CC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000568274079 430342296 /nfs/dbraw/zinc/34/22/96/430342296.db2.gz SIORKGSQCAKSRY-UHFFFAOYSA-N -1 1 322.586 2.908 20 0 DFADMM CCc1nc(SCc2nnc(C(C)(C)C)[nH]2)[n-]c(=O)c1C ZINC000568271957 430342858 /nfs/dbraw/zinc/34/28/58/430342858.db2.gz LTBUBSJGVKWZRQ-UHFFFAOYSA-N -1 1 307.423 2.761 20 0 DFADMM C[C@@]1(CS(=O)(=O)[N-]C2(C(F)F)CCCC2)CC1(F)F ZINC000641496660 430411731 /nfs/dbraw/zinc/41/17/31/430411731.db2.gz KFAFSFXFAPOHCA-VIFPVBQESA-N -1 1 303.321 2.529 20 0 DFADMM Cc1cccc(NC(=O)[C@H](C)Sc2ncc(C)c(=O)[n-]2)c1 ZINC000569001917 430413489 /nfs/dbraw/zinc/41/34/89/430413489.db2.gz OXRAOGMBRIQEGE-NSHDSACASA-N -1 1 303.387 2.918 20 0 DFADMM C[C@@H](c1cccc(F)c1)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000583210000 430373548 /nfs/dbraw/zinc/37/35/48/430373548.db2.gz ZCYANGCGIJGILD-SMDDNHRTSA-N -1 1 318.352 2.514 20 0 DFADMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CO1 ZINC000583378602 430390371 /nfs/dbraw/zinc/39/03/71/430390371.db2.gz AMHVJUMECKCSAD-RITPCOANSA-N -1 1 316.231 2.511 20 0 DFADMM Cc1oc(CN(C)CCN(C)c2ccccc2)cc1C(=O)[O-] ZINC000583446013 430396077 /nfs/dbraw/zinc/39/60/77/430396077.db2.gz KVYMDOCWDLIMFZ-UHFFFAOYSA-N -1 1 302.374 2.854 20 0 DFADMM O=C([O-])C1CCC(NC(=O)c2n[nH]c3ccc(Cl)cc32)CC1 ZINC000568983253 430410510 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1 315.373 2.730 20 0 DFADMM O=C([O-])CCN(Cc1ccc(Cl)cc1F)C[C@@H]1CCCO1 ZINC000580319211 323370152 /nfs/dbraw/zinc/37/01/52/323370152.db2.gz ARNUBVJKNRQBGD-ZDUSSCGKSA-N -1 1 315.772 2.935 20 0 DFADMM CCCCc1noc(CN(CC)C2CCC(C(=O)[O-])CC2)n1 ZINC000580466512 323390888 /nfs/dbraw/zinc/39/08/88/323390888.db2.gz CWYWECRMAXCAFJ-UHFFFAOYSA-N -1 1 309.410 2.878 20 0 DFADMM CO[C@@H](C)C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000580665448 323418645 /nfs/dbraw/zinc/41/86/45/323418645.db2.gz BNYNFCMXOXVJFU-YFKPBYRVSA-N -1 1 308.559 2.782 20 0 DFADMM O=S(=O)([N-][C@H]1CCCC[C@H]1C(F)(F)F)c1cscn1 ZINC000582119161 323619641 /nfs/dbraw/zinc/61/96/41/323619641.db2.gz KGGZECRKPQXJKU-SFYZADRCSA-N -1 1 314.354 2.543 20 0 DFADMM C[C@@H](c1nc(Cc2ccccc2)no1)N1CC[C@](C)(C(=O)[O-])C1 ZINC000584297334 332228031 /nfs/dbraw/zinc/22/80/31/332228031.db2.gz FDRWSJIJKVKIDY-SJCJKPOMSA-N -1 1 315.373 2.518 20 0 DFADMM O=C([O-])c1cccc(OCC[N@H+]2CCc3cc(F)ccc3C2)c1 ZINC000584356602 336148299 /nfs/dbraw/zinc/14/82/99/336148299.db2.gz 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/nfs/dbraw/zinc/00/13/16/526001316.db2.gz XRNMBDQARWKIIP-NSHDSACASA-N -1 1 321.446 2.943 20 0 DFADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000365802104 526703198 /nfs/dbraw/zinc/70/31/98/526703198.db2.gz YPZPKJWYYBPQAK-FVQHAEBGSA-N -1 1 313.397 2.860 20 0 DFADMM CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)CCCCF ZINC000295724476 526997395 /nfs/dbraw/zinc/99/73/95/526997395.db2.gz HFUIQRFUGARZCG-UHFFFAOYSA-N -1 1 322.789 2.790 20 0 DFADMM CC(C)[C@]1(CO)CCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000294573952 527989542 /nfs/dbraw/zinc/98/95/42/527989542.db2.gz FHBYSIBCTGOOTQ-MRXNPFEDSA-N -1 1 313.344 2.541 20 0 DFADMM CCOc1cc(C(=O)NC[C@@H](OC)C2CC2)cc(Cl)c1[O-] ZINC000294464933 528226155 /nfs/dbraw/zinc/22/61/55/528226155.db2.gz IGNVIONTNBEESB-CYBMUJFWSA-N -1 1 313.781 2.599 20 0 DFADMM CCOC(=O)C(C)(C)O[N-]C(=O)CC/C=C/c1ccccc1 ZINC000295776890 528560820 /nfs/dbraw/zinc/56/08/20/528560820.db2.gz XNMVRRHQLHLQRV-XYOKQWHBSA-N -1 1 305.374 2.870 20 0 DFADMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)C2CCOCC2)n1 ZINC000295044310 528613437 /nfs/dbraw/zinc/61/34/37/528613437.db2.gz WZZMYKSJRXYORG-JTQLQIEISA-N -1 1 310.419 2.611 20 0 DFADMM COc1ccc2cc(CNC(=O)c3cncc([O-])c3)ccc2c1 ZINC000171910074 537034375 /nfs/dbraw/zinc/03/43/75/537034375.db2.gz SYPVMFIYUQHQGZ-UHFFFAOYSA-N -1 1 308.337 2.879 20 0 DFADMM C[C@H](CCC(C)(C)C)C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000680476996 545500350 /nfs/dbraw/zinc/50/03/50/545500350.db2.gz MLWGJTFVHFLNPF-OCCSQVGLSA-N -1 1 315.421 2.868 20 0 DFADMM Cc1cnc(C(=O)N2C[C@H](C)OC[C@H]2c2ccccc2)c([O-])c1 ZINC000680950773 545569593 /nfs/dbraw/zinc/56/95/93/545569593.db2.gz XIOLVIABLOTOSZ-ZFWWWQNUSA-N -1 1 312.369 2.698 20 0 DFADMM O=C(c1ccc([O-])c(F)c1)N1CCN(c2ccccc2F)CC1 ZINC000681016232 545581667 /nfs/dbraw/zinc/58/16/67/545581667.db2.gz YVXXVEPQQDEDLS-UHFFFAOYSA-N -1 1 318.323 2.633 20 0 DFADMM COc1ccc(NC(C)=O)cc1NC(=O)c1ccc([O-])c(F)c1 ZINC000681014161 545581965 /nfs/dbraw/zinc/58/19/65/545581965.db2.gz 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/nfs/dbraw/zinc/58/90/26/545589026.db2.gz NXCLNNBRPHWVQN-ZDUSSCGKSA-N -1 1 303.337 2.555 20 0 DFADMM COc1cc(C(=O)Nc2ccc3nccn3c2)cc(Cl)c1[O-] ZINC000682361304 545828861 /nfs/dbraw/zinc/82/88/61/545828861.db2.gz SDDUMHQLCHBISV-UHFFFAOYSA-N -1 1 317.732 2.954 20 0 DFADMM COc1nnc([N-]C(=O)c2ncoc2-c2ccc(C)cc2)s1 ZINC000682681079 545896492 /nfs/dbraw/zinc/89/64/92/545896492.db2.gz RVLNDVGMQXTXPB-UHFFFAOYSA-N -1 1 316.342 2.762 20 0 DFADMM O=C(N[C@H]1CCc2cc(O)ccc2C1)c1c([O-])cccc1F ZINC000683512442 546048174 /nfs/dbraw/zinc/04/81/74/546048174.db2.gz LRSWCSBRGBWMAV-LBPRGKRZSA-N -1 1 301.317 2.524 20 0 DFADMM COc1cccc(-c2nsc([N-]C(=O)c3nccs3)n2)c1 ZINC000683545033 546057999 /nfs/dbraw/zinc/05/79/99/546057999.db2.gz DTGGWIXFSSNBDG-UHFFFAOYSA-N -1 1 318.383 2.923 20 0 DFADMM Cc1c(C(=O)Nc2c([O-])cccc2F)nnn1CC1CCCC1 ZINC000684057179 546144734 /nfs/dbraw/zinc/14/47/34/546144734.db2.gz KJTODSQTDMOJPX-UHFFFAOYSA-N -1 1 318.352 2.874 20 0 DFADMM COCc1cc(C(=O)[N-]c2cc(C3(C)CCCC3)on2)no1 ZINC000684151638 546159112 /nfs/dbraw/zinc/15/91/12/546159112.db2.gz VMJVNHBRNUJCNG-UHFFFAOYSA-N -1 1 305.334 2.893 20 0 DFADMM CC[C@@H](CCO)CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684875658 546296261 /nfs/dbraw/zinc/29/62/61/546296261.db2.gz MSJJTSPZEGGURK-VIFPVBQESA-N -1 1 305.296 2.549 20 0 DFADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CC[C@]2(CCOC2)C1 ZINC000684875855 546296313 /nfs/dbraw/zinc/29/63/13/546296313.db2.gz QJWQKJFZCBYWLO-AWEZNQCLSA-N -1 1 315.291 2.664 20 0 DFADMM CN(C[C@H]1CCC[C@H]1O)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684877214 546297016 /nfs/dbraw/zinc/29/70/16/546297016.db2.gz MKOWMIZHFKBCRY-ZYHUDNBSSA-N -1 1 317.307 2.644 20 0 DFADMM Cc1cccc(F)c1CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000822308326 599068678 /nfs/dbraw/zinc/06/86/78/599068678.db2.gz CUUSLLQFAHYQAA-UHFFFAOYSA-N -1 1 318.743 2.975 20 0 DFADMM Cc1cccc(F)c1CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000822308326 599068679 /nfs/dbraw/zinc/06/86/79/599068679.db2.gz CUUSLLQFAHYQAA-UHFFFAOYSA-N -1 1 318.743 2.975 20 0 DFADMM CC[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000736380414 599140370 /nfs/dbraw/zinc/14/03/70/599140370.db2.gz GGOPVXLXESESPU-AWEZNQCLSA-N -1 1 309.329 2.570 20 0 DFADMM CC[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000736380414 599140372 /nfs/dbraw/zinc/14/03/72/599140372.db2.gz GGOPVXLXESESPU-AWEZNQCLSA-N -1 1 309.329 2.570 20 0 DFADMM CCCC[C@H](CC)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736436197 599151389 /nfs/dbraw/zinc/15/13/89/599151389.db2.gz BEWYFRLLJTZLRJ-NSHDSACASA-N -1 1 303.366 2.635 20 0 DFADMM CCCC[C@H](CC)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736436197 599151390 /nfs/dbraw/zinc/15/13/90/599151390.db2.gz BEWYFRLLJTZLRJ-NSHDSACASA-N -1 1 303.366 2.635 20 0 DFADMM CN(CCC(=O)[O-])CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000737992800 596994819 /nfs/dbraw/zinc/99/48/19/596994819.db2.gz UEVVTIAOVAPUHM-IBGZPJMESA-N -1 1 324.229 2.508 20 0 DFADMM c1cc(-c2nnn[n-]2)oc1CNc1ccc(-c2cnco2)cc1 ZINC000823821306 607313046 /nfs/dbraw/zinc/31/30/46/607313046.db2.gz SEOSTAVWMUXQOF-UHFFFAOYSA-N -1 1 308.301 2.727 20 0 DFADMM c1cc(-c2nn[n-]n2)oc1CNc1ccc(-c2cnco2)cc1 ZINC000823821306 607313047 /nfs/dbraw/zinc/31/30/47/607313047.db2.gz SEOSTAVWMUXQOF-UHFFFAOYSA-N -1 1 308.301 2.727 20 0 DFADMM C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CC[C@H](C(=O)[O-])C1 ZINC000818075588 597530432 /nfs/dbraw/zinc/53/04/32/597530432.db2.gz BJYMZPVGGZGJGV-ONGXEEELSA-N -1 1 321.764 2.858 20 0 DFADMM CCOc1cc(CN2CC[C@@H](C(=O)[O-])C2)cc(Cl)c1OC ZINC000820383002 598128545 /nfs/dbraw/zinc/12/85/45/598128545.db2.gz NDBPEPNNYQRZDP-LLVKDONJSA-N -1 1 313.781 2.654 20 0 DFADMM O=C([O-])C[C@H]1CCCN(Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000821516442 598151654 /nfs/dbraw/zinc/15/16/54/598151654.db2.gz UXDRLAQETHOICL-YPMHNXCESA-N -1 1 310.419 2.681 20 0 DFADMM CCCOc1ncccc1CNCc1cccc(C(=O)[O-])c1 ZINC000263394875 598203185 /nfs/dbraw/zinc/20/31/85/598203185.db2.gz GETCTMXFETTYAB-UHFFFAOYSA-N -1 1 300.358 2.858 20 0 DFADMM CCC1(C)CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000736395841 598245563 /nfs/dbraw/zinc/24/55/63/598245563.db2.gz 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/nfs/dbraw/zinc/39/80/28/599398028.db2.gz IBNDPAUAKCQAKN-UHFFFAOYSA-N -1 1 312.402 2.774 20 0 DFADMM Cc1ccc(C2=CCN(c3cccc(-c4nnn[n-]4)n3)CC2)cc1 ZINC000737330332 599400170 /nfs/dbraw/zinc/40/01/70/599400170.db2.gz NGOAFPWXBAARNL-UHFFFAOYSA-N -1 1 318.384 2.864 20 0 DFADMM Cc1ccc(C2=CCN(c3cccc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000737330332 599400172 /nfs/dbraw/zinc/40/01/72/599400172.db2.gz NGOAFPWXBAARNL-UHFFFAOYSA-N -1 1 318.384 2.864 20 0 DFADMM CC(C)Oc1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000735915850 599403543 /nfs/dbraw/zinc/40/35/43/599403543.db2.gz SWMKBNSFTRFEBN-UHFFFAOYSA-N -1 1 310.361 2.661 20 0 DFADMM CC(C)Oc1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000735915850 599403546 /nfs/dbraw/zinc/40/35/46/599403546.db2.gz SWMKBNSFTRFEBN-UHFFFAOYSA-N -1 1 310.361 2.661 20 0 DFADMM COc1ccc(CC[C@@H](C)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000737089060 599419135 /nfs/dbraw/zinc/41/91/35/599419135.db2.gz UCVJBDZESHELDT-GFCCVEGCSA-N -1 1 324.388 2.704 20 0 DFADMM COc1ccc(CC[C@@H](C)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000737089060 599419136 /nfs/dbraw/zinc/41/91/36/599419136.db2.gz UCVJBDZESHELDT-GFCCVEGCSA-N -1 1 324.388 2.704 20 0 DFADMM COc1ccccc1C(C)(C)CNc1cccc(-c2nnn[n-]2)n1 ZINC000737137736 599420170 /nfs/dbraw/zinc/42/01/70/599420170.db2.gz IVGYNXQXZJYEPJ-UHFFFAOYSA-N -1 1 324.388 2.660 20 0 DFADMM COc1ccccc1C(C)(C)CNc1cccc(-c2nn[n-]n2)n1 ZINC000737137736 599420173 /nfs/dbraw/zinc/42/01/73/599420173.db2.gz IVGYNXQXZJYEPJ-UHFFFAOYSA-N -1 1 324.388 2.660 20 0 DFADMM Cc1cccc2c1OCC[C@@H]2Nc1cccc(-c2nnn[n-]2)n1 ZINC000737409108 599422904 /nfs/dbraw/zinc/42/29/04/599422904.db2.gz NBLHMWKSUTWFMA-LBPRGKRZSA-N -1 1 308.345 2.506 20 0 DFADMM Cc1cccc2c1OCC[C@@H]2Nc1cccc(-c2nn[n-]n2)n1 ZINC000737409108 599422905 /nfs/dbraw/zinc/42/29/05/599422905.db2.gz NBLHMWKSUTWFMA-LBPRGKRZSA-N -1 1 308.345 2.506 20 0 DFADMM C[C@]1(c2ccccc2)CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000736230977 599438795 /nfs/dbraw/zinc/43/87/95/599438795.db2.gz VHOYAGRVYOYKOE-SFHVURJKSA-N -1 1 320.400 2.820 20 0 DFADMM C[C@]1(c2ccccc2)CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000736230977 599438799 /nfs/dbraw/zinc/43/87/99/599438799.db2.gz VHOYAGRVYOYKOE-SFHVURJKSA-N -1 1 320.400 2.820 20 0 DFADMM CCCC[C@H](COC)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000736436739 599442655 /nfs/dbraw/zinc/44/26/55/599442655.db2.gz GAYPWOVOADBVKO-SSDOTTSWSA-N -1 1 316.818 2.594 20 0 DFADMM CCCC[C@H](COC)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000736436739 599442658 /nfs/dbraw/zinc/44/26/58/599442658.db2.gz GAYPWOVOADBVKO-SSDOTTSWSA-N -1 1 316.818 2.594 20 0 DFADMM Cc1ccc(CCOC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000737336848 599496917 /nfs/dbraw/zinc/49/69/17/599496917.db2.gz HWFVBWIIOWGOKR-UHFFFAOYSA-N -1 1 314.370 2.636 20 0 DFADMM C[C@H]1CC(OC(=O)c2sccc2-c2nn[n-]n2)C[C@H](C)C1 ZINC000820649635 599625374 /nfs/dbraw/zinc/62/53/74/599625374.db2.gz NJQNVERSVFVFSE-RKDXNWHRSA-N -1 1 306.391 2.910 20 0 DFADMM COc1cc(CN(Cc2occc2C(=O)[O-])C2CC2)ccc1O ZINC000737882099 599799485 /nfs/dbraw/zinc/79/94/85/599799485.db2.gz YNCKUTWIVBTQMD-UHFFFAOYSA-N -1 1 317.341 2.857 20 0 DFADMM CCCCCC(=O)NC1CCN(Cc2cc(C(=O)[O-])co2)CC1 ZINC000736983255 599850615 /nfs/dbraw/zinc/85/06/15/599850615.db2.gz CKYXPIZFFNQWFB-UHFFFAOYSA-N -1 1 322.405 2.639 20 0 DFADMM CC(C)(C)C(=O)N[C@H]1CCCN(Cc2ccc(C(=O)[O-])cc2)C1 ZINC000263506054 599992491 /nfs/dbraw/zinc/99/24/91/599992491.db2.gz XDLHSMPBJLZUJC-HNNXBMFYSA-N -1 1 318.417 2.512 20 0 DFADMM CN(C)[C@@H](CNc1nc(Cl)c(C(=O)[O-])s1)c1ccco1 ZINC000737358812 600075327 /nfs/dbraw/zinc/07/53/27/600075327.db2.gz QVNHOAGFNFHUBE-ZETCQYMHSA-N -1 1 315.782 2.803 20 0 DFADMM CCC[C@](C)(NCC(=O)Nc1c(CC)cccc1CC)C(=O)[O-] ZINC000736965994 600151735 /nfs/dbraw/zinc/15/17/35/600151735.db2.gz YIPRAQJCSJVITD-SFHVURJKSA-N -1 1 320.433 2.983 20 0 DFADMM CCC[C@@](C)(NCC(=O)Nc1c(CC)cccc1CC)C(=O)[O-] ZINC000736965993 600152021 /nfs/dbraw/zinc/15/20/21/600152021.db2.gz YIPRAQJCSJVITD-GOSISDBHSA-N -1 1 320.433 2.983 20 0 DFADMM Cc1nc(Cl)cc(Oc2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826326182 607866981 /nfs/dbraw/zinc/86/69/81/607866981.db2.gz FCSCNXOUSYWMSX-UHFFFAOYSA-N -1 1 306.688 2.550 20 0 DFADMM O=C([O-])NCc1ccc(NC(=O)c2cccc3cn[nH]c32)cc1 ZINC000739993128 600308223 /nfs/dbraw/zinc/30/82/23/600308223.db2.gz ZBFFZTUTPDNHDL-UHFFFAOYSA-N -1 1 310.313 2.583 20 0 DFADMM C[C@@H](CN(C)CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000042706098 600368672 /nfs/dbraw/zinc/36/86/72/600368672.db2.gz LJUBZKLYAOFJSN-QMMMGPOBSA-N -1 1 319.188 2.584 20 0 DFADMM C[C@H](OC(=O)[C@H]1C[C@H]1C(=O)[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC000736681968 600422877 /nfs/dbraw/zinc/42/28/77/600422877.db2.gz DPBKWYGQWHIDQY-ZQARSLAVSA-N -1 1 308.721 2.541 20 0 DFADMM CC(C)Oc1ccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)cn1 ZINC000736494663 600424134 /nfs/dbraw/zinc/42/41/34/600424134.db2.gz PDIDZOTWHRSBES-MRXNPFEDSA-N -1 1 318.348 2.923 20 0 DFADMM C[C@H](Nc1ccc(C(=O)[O-])nn1)c1nc2ccc(Cl)cc2[nH]1 ZINC000736670698 600432977 /nfs/dbraw/zinc/43/29/77/600432977.db2.gz HBCNQEQEOSJMDM-ZETCQYMHSA-N -1 1 317.736 2.878 20 0 DFADMM COCCN(CCC(=O)[O-])Cc1cc(-c2ccc(C)cc2)no1 ZINC000737795244 600641817 /nfs/dbraw/zinc/64/18/17/600641817.db2.gz ZNRBDSXELKZPDG-UHFFFAOYSA-N -1 1 318.373 2.573 20 0 DFADMM C[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccccc1)N1[C@H](C)CC[C@@H]1C ZINC000736764638 600736646 /nfs/dbraw/zinc/73/66/46/600736646.db2.gz VBGKIKFROVJLRD-QVHKTLOISA-N -1 1 305.374 2.617 20 0 DFADMM C[C@@H]1C[C@@H](C)CN([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000828162714 600792470 /nfs/dbraw/zinc/79/24/70/600792470.db2.gz YOUQWYCRMPOBJX-NQBHXWOUSA-N -1 1 322.430 2.530 20 0 DFADMM CC(C)C[C@@H]1CCN(CC(=O)Nc2ccsc2C(=O)[O-])C1 ZINC000826839914 600799308 /nfs/dbraw/zinc/79/93/08/600799308.db2.gz JFNNWEJHLFJWAL-NSHDSACASA-N -1 1 310.419 2.753 20 0 DFADMM C[C@H](c1nnc(-c2cccs2)o1)N1CCC[C@H](C(=O)[O-])C1 ZINC000736729524 600846060 /nfs/dbraw/zinc/84/60/60/600846060.db2.gz ZUAAWAKZGZUBFV-ZJUUUORDSA-N -1 1 307.375 2.656 20 0 DFADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCC(C)(C)C1 ZINC000832918686 600850448 /nfs/dbraw/zinc/85/04/48/600850448.db2.gz XYQSDLMXPJFORD-LBPRGKRZSA-N -1 1 304.390 2.752 20 0 DFADMM Cc1ccc(-c2cc(C(=O)O[C@H](CC(C)C)C(=O)[O-])[nH]n2)o1 ZINC000832906014 600954802 /nfs/dbraw/zinc/95/48/02/600954802.db2.gz NOLAARZLDDCVBD-CYBMUJFWSA-N -1 1 306.318 2.634 20 0 DFADMM O=C([O-])[C@H](c1ccc(F)cc1)N1CCOC2(CCCCC2)C1 ZINC000833172988 601020092 /nfs/dbraw/zinc/02/00/92/601020092.db2.gz YRPVPKQMZFPJLS-HNNXBMFYSA-N -1 1 307.365 2.987 20 0 DFADMM C[C@](NCC(=O)Nc1cccc2ccccc21)(C(=O)[O-])C1CC1 ZINC000827729314 601038437 /nfs/dbraw/zinc/03/84/37/601038437.db2.gz ZYHHQKAKWPAGQS-GOSISDBHSA-N -1 1 312.369 2.621 20 0 DFADMM CCSCC[C@@H](C)N(C)CC(=O)Nc1ccccc1C(=O)[O-] ZINC000830164219 601053214 /nfs/dbraw/zinc/05/32/14/601053214.db2.gz SCMIISHNNBOQCS-GFCCVEGCSA-N -1 1 324.446 2.787 20 0 DFADMM CCn1ncc2c1CCC[C@@H]2N[C@H](C(=O)[O-])c1ccccc1F ZINC000737312200 601102289 /nfs/dbraw/zinc/10/22/89/601102289.db2.gz MLZBCUWNCUUMSF-HOCLYGCPSA-N -1 1 317.364 2.835 20 0 DFADMM Cc1ccc(NC(=O)c2cc(-c3ccco3)n[nH]2)cc1C(=O)[O-] ZINC000237717073 601109021 /nfs/dbraw/zinc/10/90/21/601109021.db2.gz GPGDKRRFGQIDRF-UHFFFAOYSA-N -1 1 311.297 2.929 20 0 DFADMM Cc1ccc(NC(=O)c2nnc3ccccc3c2O)cc1C(=O)[O-] ZINC000767201119 601110178 /nfs/dbraw/zinc/11/01/78/601110178.db2.gz LXSKGGBMSYENAR-UHFFFAOYSA-N -1 1 323.308 2.594 20 0 DFADMM COc1ccc([C@H](NCc2ccncc2Cl)C(=O)[O-])cc1 ZINC000832252864 601114925 /nfs/dbraw/zinc/11/49/25/601114925.db2.gz SSQPYJMQAAAWMF-AWEZNQCLSA-N -1 1 306.749 2.659 20 0 DFADMM C[C@@H]1CN(Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C(C)(C)C1 ZINC000828463874 601122202 /nfs/dbraw/zinc/12/22/02/601122202.db2.gz RVHDDVNQHUTYMQ-JTQLQIEISA-N -1 1 315.373 2.654 20 0 DFADMM O=C([O-])[C@@H]1CCN(C(=O)c2cc(Cl)c3ccccc3c2O)C1 ZINC000819271202 601209762 /nfs/dbraw/zinc/20/97/62/601209762.db2.gz RHDWARMAXAQJKZ-SECBINFHSA-N -1 1 319.744 2.746 20 0 DFADMM O=C([O-])c1ccc(NS(=O)(=O)c2ccccc2Cl)s1 ZINC000035426870 601357283 /nfs/dbraw/zinc/35/72/83/601357283.db2.gz BRWFRNORMOCBSH-UHFFFAOYSA-N -1 1 317.775 2.901 20 0 DFADMM Cc1nc(NC(=O)c2ccc(O)c(Cl)c2)sc1C(=O)[O-] ZINC000833002124 601378592 /nfs/dbraw/zinc/37/85/92/601378592.db2.gz NPLFXXWRFZEHCM-UHFFFAOYSA-N -1 1 312.734 2.761 20 0 DFADMM C/C(=C\COC(=O)c1[nH]c(-c2ccccc2)nc1C)C(=O)[O-] ZINC000825786852 601417203 /nfs/dbraw/zinc/41/72/03/601417203.db2.gz PJBWMPBOJUTUDA-CSKARUKUSA-N -1 1 300.314 2.573 20 0 DFADMM COc1ccc(CN(C)Cc2ccc(F)cc2C(=O)[O-])cc1O ZINC000832311185 601421000 /nfs/dbraw/zinc/42/10/00/601421000.db2.gz SZXKDDOZWXOIOO-UHFFFAOYSA-N -1 1 319.332 2.870 20 0 DFADMM CC(C)[C@H](C)NC(=O)CN1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000826680895 601430339 /nfs/dbraw/zinc/43/03/39/601430339.db2.gz KINLHKKLXPCPLW-NUEKZKHPSA-N -1 1 324.465 2.503 20 0 DFADMM O=C([O-])[C@@]1(F)CCN(Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000833175431 601441239 /nfs/dbraw/zinc/44/12/39/601441239.db2.gz QLURRQMWJBQFMS-CYBMUJFWSA-N -1 1 321.270 2.626 20 0 DFADMM CCc1oc(C(=O)[O-])cc1COC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000830379030 601466520 /nfs/dbraw/zinc/46/65/20/601466520.db2.gz GZOCTAFMAJTTFG-GRYCIOLGSA-N -1 1 323.389 2.845 20 0 DFADMM CC[C@H]1CCN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)C1 ZINC000829133817 601498157 /nfs/dbraw/zinc/49/81/57/601498157.db2.gz FQZXVDQZVWOMTG-JTQLQIEISA-N -1 1 322.430 2.605 20 0 DFADMM C[C@H]1CN(Cc2csc(Cc3ccccc3)n2)C[C@H]1C(=O)[O-] ZINC000828461966 601513066 /nfs/dbraw/zinc/51/30/66/601513066.db2.gz FUEJPCHGFZWJKH-SWLSCSKDSA-N -1 1 316.426 2.886 20 0 DFADMM C[C@@H]1CN(Cc2ccc(Br)s2)C[C@H]1C(=O)[O-] ZINC000235350837 601519425 /nfs/dbraw/zinc/51/94/25/601519425.db2.gz FDDAGZCHOGYKBB-VXNVDRBHSA-N -1 1 304.209 2.663 20 0 DFADMM CC(C)N(Cc1ccccc1)C(=O)CN[C@@H](C(=O)[O-])C(C)(C)C ZINC000826951354 601601289 /nfs/dbraw/zinc/60/12/89/601601289.db2.gz HFKPTBCROALHBA-INIZCTEOSA-N -1 1 320.433 2.513 20 0 DFADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN(C)[C@@H](C)C1(C)CC1 ZINC000832917483 601612959 /nfs/dbraw/zinc/61/29/59/601612959.db2.gz YGARHCFTCJPLCV-LBPRGKRZSA-N -1 1 304.390 2.752 20 0 DFADMM C[C@H](C(=O)[O-])[C@H](NCc1nccn1C(F)F)c1ccccc1 ZINC000826054815 601655408 /nfs/dbraw/zinc/65/54/08/601655408.db2.gz QTZFETCJTOZWHT-GWCFXTLKSA-N -1 1 309.316 2.830 20 0 DFADMM CC[C@@H]1CCc2ccccc2N1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000825206022 607520561 /nfs/dbraw/zinc/52/05/61/607520561.db2.gz YMQQAPDWHZRDPY-OAHLLOKOSA-N -1 1 320.400 2.993 20 0 DFADMM CC[C@@H]1CCc2ccccc2N1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000825206022 607520563 /nfs/dbraw/zinc/52/05/63/607520563.db2.gz YMQQAPDWHZRDPY-OAHLLOKOSA-N -1 1 320.400 2.993 20 0 DFADMM COC(=O)c1ccc(CN(C)Cc2ccsc2C(=O)[O-])cc1 ZINC000831378884 601806794 /nfs/dbraw/zinc/80/67/94/601806794.db2.gz HTVAFWJHQQAIIS-UHFFFAOYSA-N -1 1 319.382 2.865 20 0 DFADMM O=C([O-])c1ccc(NC(=O)c2cc(F)cc3[nH]cnc32)cc1F ZINC000776647000 601876370 /nfs/dbraw/zinc/87/63/70/601876370.db2.gz WUOJDGNQISBRMU-UHFFFAOYSA-N -1 1 317.251 2.792 20 0 DFADMM COc1ccccc1CSCc1ccnc(-c2nnn[n-]2)c1 ZINC000826220112 607532831 /nfs/dbraw/zinc/53/28/31/607532831.db2.gz CGELAWUFLARFGO-UHFFFAOYSA-N -1 1 313.386 2.704 20 0 DFADMM COc1ccccc1CSCc1ccnc(-c2nn[n-]n2)c1 ZINC000826220112 607532832 /nfs/dbraw/zinc/53/28/32/607532832.db2.gz CGELAWUFLARFGO-UHFFFAOYSA-N -1 1 313.386 2.704 20 0 DFADMM O=C([O-])NC[C@H]1CCN(Cn2c3ccccc3oc2=S)C1 ZINC000740644688 601915994 /nfs/dbraw/zinc/91/59/94/601915994.db2.gz AFFCZIVQKMPXCU-SNVBAGLBSA-N -1 1 307.375 2.511 20 0 DFADMM CC(C)[C@H](C(=O)OCc1ccc(C(=O)[O-])s1)N1CCCC1 ZINC000826677458 602010632 /nfs/dbraw/zinc/01/06/32/602010632.db2.gz TZUQLFBZCVNWRR-CYBMUJFWSA-N -1 1 311.403 2.610 20 0 DFADMM CCC[C@H]1CCCN(CC(=O)N(C)c2ccccc2C(=O)[O-])C1 ZINC000829266503 602016467 /nfs/dbraw/zinc/01/64/67/602016467.db2.gz JMYSHEJLQPZHSW-AWEZNQCLSA-N -1 1 318.417 2.860 20 0 DFADMM CCC[C@@H]1CCCN(CC(=O)N(C)c2ccccc2C(=O)[O-])C1 ZINC000829266505 602016688 /nfs/dbraw/zinc/01/66/88/602016688.db2.gz JMYSHEJLQPZHSW-CQSZACIVSA-N -1 1 318.417 2.860 20 0 DFADMM O=C([O-])c1cc(Cl)cc(NC(=O)[C@@H]2CCCc3[nH]ncc32)c1 ZINC000833297009 602019693 /nfs/dbraw/zinc/01/96/93/602019693.db2.gz BWGFUZNXLUFHNU-LLVKDONJSA-N -1 1 319.748 2.820 20 0 DFADMM O=C([O-])NC[C@@H]1CCN(Cc2cccc(Br)c2)C1 ZINC000740645860 602045063 /nfs/dbraw/zinc/04/50/63/602045063.db2.gz GREBFHFCUAEKEV-NSHDSACASA-N -1 1 313.195 2.539 20 0 DFADMM Cc1ccc(NCc2ccnc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000826291366 607546216 /nfs/dbraw/zinc/54/62/16/607546216.db2.gz BXGWDMNRXBKSFX-UHFFFAOYSA-N -1 1 300.753 2.836 20 0 DFADMM Cc1ccc(NCc2ccnc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000826291366 607546217 /nfs/dbraw/zinc/54/62/17/607546217.db2.gz BXGWDMNRXBKSFX-UHFFFAOYSA-N -1 1 300.753 2.836 20 0 DFADMM Fc1ccc(SCc2ccnc(-c3nnn[n-]3)c2)cc1F ZINC000826376237 607543203 /nfs/dbraw/zinc/54/32/03/607543203.db2.gz UPBRIJRGMYMENS-UHFFFAOYSA-N -1 1 305.313 2.832 20 0 DFADMM Fc1ccc(SCc2ccnc(-c3nn[n-]n3)c2)cc1F ZINC000826376237 607543205 /nfs/dbraw/zinc/54/32/05/607543205.db2.gz UPBRIJRGMYMENS-UHFFFAOYSA-N -1 1 305.313 2.832 20 0 DFADMM Cc1ccc2nc([C@H]3CCCN3C(=O)[C@H](C)CC(=O)[O-])[nH]c2c1 ZINC000832958904 602132817 /nfs/dbraw/zinc/13/28/17/602132817.db2.gz OMTSXHPRCGYWPG-BXUZGUMPSA-N -1 1 315.373 2.646 20 0 DFADMM O=C([O-])Cc1cccc(NC(=O)c2cc(Cl)ccc2O)c1 ZINC000087844331 602141676 /nfs/dbraw/zinc/14/16/76/602141676.db2.gz RPCOLFKVEIWSKQ-UHFFFAOYSA-N -1 1 305.717 2.925 20 0 DFADMM O=C([O-])c1ccc2c(cnn2CN2CCC(C(F)F)CC2)c1 ZINC000833326602 602205413 /nfs/dbraw/zinc/20/54/13/602205413.db2.gz SPNLFDFYFUENHP-UHFFFAOYSA-N -1 1 309.316 2.669 20 0 DFADMM c1ccc(OCC2CC2)c(NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826522979 607552810 /nfs/dbraw/zinc/55/28/10/607552810.db2.gz VWEUYIBQVXLLRX-UHFFFAOYSA-N -1 1 322.372 2.663 20 0 DFADMM c1ccc(OCC2CC2)c(NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826522979 607552811 /nfs/dbraw/zinc/55/28/11/607552811.db2.gz VWEUYIBQVXLLRX-UHFFFAOYSA-N -1 1 322.372 2.663 20 0 DFADMM CC1CCC(N(C(=O)CN[C@H](C(=O)[O-])C(C)(C)C)C2CC2)CC1 ZINC000828226151 602227879 /nfs/dbraw/zinc/22/78/79/602227879.db2.gz OPKHFLXCPVJZRQ-SEEARECTSA-N -1 1 324.465 2.645 20 0 DFADMM Cc1[nH]c(C(=O)[C@@H](C)N2CCC3(CCC3)C2)c(C)c1C(=O)[O-] ZINC000832842961 602240292 /nfs/dbraw/zinc/24/02/92/602240292.db2.gz MXQUJYMDDWSGPS-GFCCVEGCSA-N -1 1 304.390 2.777 20 0 DFADMM O=C([O-])c1coc(CN2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000833339829 602249034 /nfs/dbraw/zinc/24/90/34/602249034.db2.gz OCHNCCMREFXYNU-TZMCWYRMSA-N -1 1 305.330 2.659 20 0 DFADMM O=C([O-])c1ccc(CN2CCc3ccccc3[C@H]2CO)s1 ZINC000833313950 602320595 /nfs/dbraw/zinc/32/05/95/602320595.db2.gz BNBRIDWNTAAGFT-CQSZACIVSA-N -1 1 303.383 2.538 20 0 DFADMM O=C([O-])Nc1ccc(NC(=O)c2cc(=O)c3ccccc3[nH]2)cc1 ZINC000740711774 602501126 /nfs/dbraw/zinc/50/11/26/602501126.db2.gz CIQPWLWRGJCVMW-UHFFFAOYSA-N -1 1 323.308 2.870 20 0 DFADMM CN(C[C@H]1CCN(Cc2ccccc2OC(F)F)C1)C(=O)[O-] ZINC000739664365 602529418 /nfs/dbraw/zinc/52/94/18/602529418.db2.gz FFIKSSRQUOVGJB-LLVKDONJSA-N -1 1 314.332 2.720 20 0 DFADMM CCCN(Cc1cn2c(cccc2C)n1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739359135 602544777 /nfs/dbraw/zinc/54/47/77/602544777.db2.gz ICLYRMXCGRTSTD-HNNXBMFYSA-N -1 1 316.405 2.607 20 0 DFADMM CN(C[C@@H]1CCN(Cn2ccc(-c3ccsc3)n2)C1)C(=O)[O-] ZINC000739662927 602733999 /nfs/dbraw/zinc/73/39/99/602733999.db2.gz CAGGLCLVAKACRH-LBPRGKRZSA-N -1 1 320.418 2.501 20 0 DFADMM CN(C(=O)[O-])c1ccc(OC(=O)c2[nH]nc3c2CCCC3)cc1 ZINC000827913935 603046146 /nfs/dbraw/zinc/04/61/46/603046146.db2.gz AZNFJCFVGUPEKN-UHFFFAOYSA-N -1 1 315.329 2.622 20 0 DFADMM CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1cccc(Cl)c1O ZINC000739300263 603309627 /nfs/dbraw/zinc/30/96/27/603309627.db2.gz YSZPABCUUYOORG-CYBMUJFWSA-N -1 1 300.742 2.811 20 0 DFADMM CN(Cc1cc(Br)cs1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828345819 603487118 /nfs/dbraw/zinc/48/71/18/603487118.db2.gz JGESTTPFZFBMAZ-VIFPVBQESA-N -1 1 319.224 2.695 20 0 DFADMM CCOc1ccc(CN2CCC(CN(CC)C(=O)[O-])CC2)nc1 ZINC000827427597 603495730 /nfs/dbraw/zinc/49/57/30/603495730.db2.gz KZHYXXUMSOUGHD-UHFFFAOYSA-N -1 1 321.421 2.692 20 0 DFADMM CC(C)[C@@](C)(CNC(=O)[O-])NCc1nc2cc(F)ccc2o1 ZINC000824063732 603605351 /nfs/dbraw/zinc/60/53/51/603605351.db2.gz DZPFBWKHLZHAGV-OAHLLOKOSA-N -1 1 309.341 2.739 20 0 DFADMM CO[C@H](C)c1nc(CN[C@](C)(CNC(=O)[O-])C(C)C)cs1 ZINC000828837450 603626883 /nfs/dbraw/zinc/62/68/83/603626883.db2.gz YKEARZLTVHVWNF-QMTHXVAHSA-N -1 1 315.439 2.622 20 0 DFADMM C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000825873005 603704613 /nfs/dbraw/zinc/70/46/13/603704613.db2.gz RWABZCLYAGQXCX-STQMWFEESA-N -1 1 319.405 2.608 20 0 DFADMM CN(Cc1ncc(C(C)(C)C)o1)C1CCC(NC(=O)[O-])CC1 ZINC000828420325 603789614 /nfs/dbraw/zinc/78/96/14/603789614.db2.gz GEYUNGHDHNFIJR-UHFFFAOYSA-N -1 1 309.410 2.983 20 0 DFADMM CC(C)[C@H](CCN(C)[C@H](C)C(=O)Nc1ccccc1)NC(=O)[O-] ZINC000824097941 603854667 /nfs/dbraw/zinc/85/46/67/603854667.db2.gz DSSXERMUTBZCBC-HIFRSBDPSA-N -1 1 321.421 2.628 20 0 DFADMM CC(C)[C@@H](CCN(C)[C@@H](C)C(=O)Nc1ccccc1)NC(=O)[O-] ZINC000824097939 603854775 /nfs/dbraw/zinc/85/47/75/603854775.db2.gz DSSXERMUTBZCBC-DZGCQCFKSA-N -1 1 321.421 2.628 20 0 DFADMM CN(Cc1csc(-c2ccoc2)n1)C1CCN(C(=O)[O-])CC1 ZINC000828412092 603991670 /nfs/dbraw/zinc/99/16/70/603991670.db2.gz ZMKRANOGONNQRP-UHFFFAOYSA-N -1 1 321.402 2.977 20 0 DFADMM O=C([O-])NC[C@H]1CCCN1Cc1ccccc1C(F)(F)F ZINC000832574069 604086333 /nfs/dbraw/zinc/08/63/33/604086333.db2.gz XSMYNWMSJBIGPS-LLVKDONJSA-N -1 1 302.296 2.937 20 0 DFADMM Cc1cccn2cc(CN3CCC[C@@H]([C@@H](C)NC(=O)[O-])C3)nc12 ZINC000830590383 604202139 /nfs/dbraw/zinc/20/21/39/604202139.db2.gz DAOWFQYKHDLTOW-ZIAGYGMSSA-N -1 1 316.405 2.511 20 0 DFADMM Cc1cc(C[C@H](C)NC(=O)Nc2ccc(NC(=O)[O-])cc2)n[nH]1 ZINC000832882796 604305703 /nfs/dbraw/zinc/30/57/03/604305703.db2.gz CFVORJAXFWMTJO-VIFPVBQESA-N -1 1 317.349 2.561 20 0 DFADMM C[C@@]1(c2ccccc2)CN(C[C@@H]2CCCN(C(=O)[O-])C2)CCO1 ZINC000825772974 604352114 /nfs/dbraw/zinc/35/21/14/604352114.db2.gz UREHSQLTABKMAX-YJBOKZPZSA-N -1 1 318.417 2.624 20 0 DFADMM Cc1cccc2ncc(CN3Cc4ccccc4C[C@H]3C(=O)[O-])n21 ZINC000832973514 604466240 /nfs/dbraw/zinc/46/62/40/604466240.db2.gz FEUZGDGAYKQVOY-KRWDZBQOSA-N -1 1 321.380 2.654 20 0 DFADMM O=C([O-])N1CCC(CNCc2nc(C(F)(F)F)cs2)CC1 ZINC000831883455 604514626 /nfs/dbraw/zinc/51/46/26/604514626.db2.gz RHRJFVMYGRRFDG-UHFFFAOYSA-N -1 1 323.340 2.642 20 0 DFADMM CC(C)C[C@@H]1COCCN1Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000833483112 604638576 /nfs/dbraw/zinc/63/85/76/604638576.db2.gz LZQVARHQNGGIPR-GDBMZVCRSA-N -1 1 321.417 2.785 20 0 DFADMM CCn1c2ccccc2nc1CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000833684234 604650169 /nfs/dbraw/zinc/65/01/69/604650169.db2.gz UDYJAXNTHGSMRO-ZDUSSCGKSA-N -1 1 313.401 2.743 20 0 DFADMM CSc1ccc(NC(=O)CN(C[C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC000832780912 604746243 /nfs/dbraw/zinc/74/62/43/604746243.db2.gz LKLHRMJEGJWHCB-LLVKDONJSA-N -1 1 322.430 2.532 20 0 DFADMM C[C@](CO)(NCc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000833517976 604756581 /nfs/dbraw/zinc/75/65/81/604756581.db2.gz GDCOFSHWFPVKGN-QGZVFWFLSA-N -1 1 303.333 2.521 20 0 DFADMM CCc1oc(C(=O)[O-])cc1CN1CC[C@H](Oc2cccnc2)C1 ZINC000830369924 604781352 /nfs/dbraw/zinc/78/13/52/604781352.db2.gz UZNHSJIZSYXZIC-AWEZNQCLSA-N -1 1 316.357 2.589 20 0 DFADMM C[C@H]1CN2CCCC[C@H]2CN1c1nc(Cl)c(C(=O)[O-])s1 ZINC000251636114 604826953 /nfs/dbraw/zinc/82/69/53/604826953.db2.gz FQTJQXHLOUSDTN-IUCAKERBSA-N -1 1 315.826 2.558 20 0 DFADMM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)CN2CCC(C)CC2)cc1 ZINC000825943492 604865963 /nfs/dbraw/zinc/86/59/63/604865963.db2.gz DLUMCUUZZIHDEC-CYBMUJFWSA-N -1 1 319.405 2.686 20 0 DFADMM C[C@@H](NCCNC(=O)[O-])c1ccc(F)cc1Br ZINC000825495279 604910917 /nfs/dbraw/zinc/91/09/17/604910917.db2.gz CVUSGOORJXATAY-SSDOTTSWSA-N -1 1 305.147 2.506 20 0 DFADMM O=C([O-])[C@H](NCc1ccccc1OC1CCC1)c1cccnc1 ZINC000833169016 605003921 /nfs/dbraw/zinc/00/39/21/605003921.db2.gz BMJRNWBXEWBNJJ-QGZVFWFLSA-N -1 1 312.369 2.928 20 0 DFADMM C[C@@H](NC1CN(C(=O)[O-])C1)c1ccc(Br)s1 ZINC000825478669 605096580 /nfs/dbraw/zinc/09/65/80/605096580.db2.gz ILXZPKPBMCKQNH-ZCFIWIBFSA-N -1 1 305.197 2.523 20 0 DFADMM C[C@H]1CC[C@@]2(CCN(CC(=O)Nc3cccc(C(=O)[O-])c3)C2)C1 ZINC000833609915 605138941 /nfs/dbraw/zinc/13/89/41/605138941.db2.gz HGQMHCZFWSDVJO-SCLBCKFNSA-N -1 1 316.401 2.835 20 0 DFADMM CC(C)(C(=O)[O-])[C@H](NCc1cn2cccnc2n1)c1ccccc1 ZINC000833414064 605182886 /nfs/dbraw/zinc/18/28/86/605182886.db2.gz LBLSSFXMXPFJDC-OAHLLOKOSA-N -1 1 324.384 2.671 20 0 DFADMM C[C@@H]1CCOCCN1CCOc1ccc(C(=O)[O-])cc1Cl ZINC000833617052 605203339 /nfs/dbraw/zinc/20/33/39/605203339.db2.gz NGWMLTVGISEADJ-LLVKDONJSA-N -1 1 313.781 2.528 20 0 DFADMM CN(C)Cc1ccc(NCc2ccc(NC(=O)[O-])nc2)cc1F ZINC000828046121 605259330 /nfs/dbraw/zinc/25/93/30/605259330.db2.gz FUQVSZAHUHOIMZ-UHFFFAOYSA-N -1 1 318.352 2.984 20 0 DFADMM O=C([O-])N1CCC(CN2CCc3ccc(F)c(F)c3C2)CC1 ZINC000831878312 605282990 /nfs/dbraw/zinc/28/29/90/605282990.db2.gz FYROHKBKLUVIBX-UHFFFAOYSA-N -1 1 310.344 2.713 20 0 DFADMM C[C@H](O)[C@@H]1CCCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000833525841 605384142 /nfs/dbraw/zinc/38/41/42/605384142.db2.gz FSSIZEOGIQJVJS-RBZYPMLTSA-N -1 1 315.772 2.698 20 0 DFADMM C[C@H](O)[C@@H]1CCCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000833525837 605384554 /nfs/dbraw/zinc/38/45/54/605384554.db2.gz FSSIZEOGIQJVJS-IMSIIYSGSA-N -1 1 315.772 2.698 20 0 DFADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cc3cccnc3Cl)C[C@@H]21 ZINC000834184909 605440964 /nfs/dbraw/zinc/44/09/64/605440964.db2.gz SCEDCLMFXPOUAV-KGYLQXTDSA-N -1 1 309.797 2.603 20 0 DFADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cc3ccc(Cl)nc3)C[C@@H]21 ZINC000834182659 605459203 /nfs/dbraw/zinc/45/92/03/605459203.db2.gz NVQKVHWFQYKTJL-FRRDWIJNSA-N -1 1 309.797 2.603 20 0 DFADMM O=C([O-])N(CC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)C1CC1 ZINC000834004074 605541899 /nfs/dbraw/zinc/54/18/99/605541899.db2.gz YNZHNTBRTFYICN-UHFFFAOYSA-N -1 1 324.287 2.581 20 0 DFADMM O=C([O-])N[C@H]1CCN(Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000834191018 605570592 /nfs/dbraw/zinc/57/05/92/605570592.db2.gz XVEGOKOUCVNCFF-ZDUSSCGKSA-N -1 1 320.780 2.572 20 0 DFADMM O=C([O-])NC[C@@H]1CCN(Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000834226639 605577546 /nfs/dbraw/zinc/57/75/46/605577546.db2.gz ZSFUFKMYNOAASK-VIFPVBQESA-N -1 1 320.286 2.934 20 0 DFADMM O=C([O-])Nc1ccc(NC(=O)c2c(O)cccc2Cl)cn1 ZINC000834262806 605648315 /nfs/dbraw/zinc/64/83/15/605648315.db2.gz UOBVFMLSQFLWBG-UHFFFAOYSA-N -1 1 307.693 2.783 20 0 DFADMM C[C@H]1C[C@@H](CNC(=O)[O-])CN1Cc1ccc(Cl)c(F)c1 ZINC000833834750 605684004 /nfs/dbraw/zinc/68/40/04/605684004.db2.gz QQMABKVXHWHJQY-ONGXEEELSA-N -1 1 300.761 2.957 20 0 DFADMM O=C([O-])N[C@H]1C[C@H](N[C@@H](CO)c2ccccc2)c2ccccc21 ZINC000834156497 605801541 /nfs/dbraw/zinc/80/15/41/605801541.db2.gz AWFSLAQEKGWDCO-ULQDDVLXSA-N -1 1 312.369 2.763 20 0 DFADMM C[C@H](C(=O)OCc1cc(C(=O)[O-])ccc1F)N1CCCCCC1 ZINC000833409453 605815536 /nfs/dbraw/zinc/81/55/36/605815536.db2.gz MGGZEZNTLWMYLK-GFCCVEGCSA-N -1 1 323.364 2.832 20 0 DFADMM O=C([O-])N1CCC2(CCN(Cc3nc4ccccc4o3)C2)CC1 ZINC000834092487 605894286 /nfs/dbraw/zinc/89/42/86/605894286.db2.gz VIVBIRNEAYMPFX-UHFFFAOYSA-N -1 1 315.373 2.794 20 0 DFADMM O=C([O-])Nc1cccc(CN[C@H](CO)c2cccc(F)c2)c1 ZINC000834269644 605934075 /nfs/dbraw/zinc/93/40/75/605934075.db2.gz KOCDGJIBTWCZTD-OAHLLOKOSA-N -1 1 304.321 2.739 20 0 DFADMM C[C@@H]1[C@@H](Cc2ccccc2)CCN1c1cccc(-c2nnn[n-]2)n1 ZINC000820643322 606138896 /nfs/dbraw/zinc/13/88/96/606138896.db2.gz UKOFEZWLGAQITQ-UKRRQHHQSA-N -1 1 320.400 2.719 20 0 DFADMM C[C@@H]1[C@@H](Cc2ccccc2)CCN1c1cccc(-c2nn[n-]n2)n1 ZINC000820643322 606138897 /nfs/dbraw/zinc/13/88/97/606138897.db2.gz UKOFEZWLGAQITQ-UKRRQHHQSA-N -1 1 320.400 2.719 20 0 DFADMM CC(C)(C)SCCOC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819951809 606178271 /nfs/dbraw/zinc/17/82/71/606178271.db2.gz WWQGLGKJTRCAAR-UHFFFAOYSA-N -1 1 312.420 2.617 20 0 DFADMM CC(C)(C)SCCOC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819951809 606178273 /nfs/dbraw/zinc/17/82/73/606178273.db2.gz WWQGLGKJTRCAAR-UHFFFAOYSA-N -1 1 312.420 2.617 20 0 DFADMM C[C@@H]1[C@@H](c2ccccc2)CCN1c1cccc(-c2nnn[n-]2)n1 ZINC000820642755 606231922 /nfs/dbraw/zinc/23/19/22/606231922.db2.gz LHNURWQKCIOMCJ-OCCSQVGLSA-N -1 1 306.373 2.644 20 0 DFADMM C[C@@H]1[C@@H](c2ccccc2)CCN1c1cccc(-c2nn[n-]n2)n1 ZINC000820642755 606231924 /nfs/dbraw/zinc/23/19/24/606231924.db2.gz LHNURWQKCIOMCJ-OCCSQVGLSA-N -1 1 306.373 2.644 20 0 DFADMM CC(C)(C)CCCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000819907463 606293979 /nfs/dbraw/zinc/29/39/79/606293979.db2.gz OMTCYSZYLUVBMG-UHFFFAOYSA-N -1 1 303.366 2.727 20 0 DFADMM CCS[C@@H]1CCC[C@@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC000821456602 606400865 /nfs/dbraw/zinc/40/08/65/606400865.db2.gz QTDGWJDSRWBHAY-GHMZBOCLSA-N -1 1 304.423 2.738 20 0 DFADMM CCS[C@@H]1CCC[C@@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC000821456602 606400867 /nfs/dbraw/zinc/40/08/67/606400867.db2.gz QTDGWJDSRWBHAY-GHMZBOCLSA-N -1 1 304.423 2.738 20 0 DFADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N[C@@H]1CCCSC1 ZINC000823796725 606402281 /nfs/dbraw/zinc/40/22/81/606402281.db2.gz FHKNLKVJITVXGQ-SNVBAGLBSA-N -1 1 312.402 2.722 20 0 DFADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N[C@@H]1CCCSC1 ZINC000823796725 606402282 /nfs/dbraw/zinc/40/22/82/606402282.db2.gz FHKNLKVJITVXGQ-SNVBAGLBSA-N -1 1 312.402 2.722 20 0 DFADMM Cc1nc2cc(NCc3ccc(-c4nn[n-]n4)s3)ccc2o1 ZINC000822458018 606411554 /nfs/dbraw/zinc/41/15/54/606411554.db2.gz BTGBBVMCGNTMGM-UHFFFAOYSA-N -1 1 312.358 2.990 20 0 DFADMM CC[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(OC)cc1 ZINC000820925782 606441670 /nfs/dbraw/zinc/44/16/70/606441670.db2.gz MCVZAAWDBWKXFY-ZDUSSCGKSA-N -1 1 310.361 2.834 20 0 DFADMM CC[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(OC)cc1 ZINC000820925782 606441672 /nfs/dbraw/zinc/44/16/72/606441672.db2.gz MCVZAAWDBWKXFY-ZDUSSCGKSA-N -1 1 310.361 2.834 20 0 DFADMM FC(F)(F)[C@@H]1CCC[C@@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC000822714100 606447386 /nfs/dbraw/zinc/44/73/86/606447386.db2.gz GJOUTODUHUQELI-RKDXNWHRSA-N -1 1 312.299 2.795 20 0 DFADMM FC(F)(F)[C@@H]1CCC[C@@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC000822714100 606447387 /nfs/dbraw/zinc/44/73/87/606447387.db2.gz GJOUTODUHUQELI-RKDXNWHRSA-N -1 1 312.299 2.795 20 0 DFADMM C[C@@H]1CCCC[C@H]1N(C)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820703312 606449669 /nfs/dbraw/zinc/44/96/69/606449669.db2.gz DPVDWHGLWLIYCK-MWLCHTKSSA-N -1 1 306.801 2.930 20 0 DFADMM C[C@@H]1CCCC[C@H]1N(C)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820703312 606449670 /nfs/dbraw/zinc/44/96/70/606449670.db2.gz DPVDWHGLWLIYCK-MWLCHTKSSA-N -1 1 306.801 2.930 20 0 DFADMM Clc1ccc(N2CC[C@@H]2c2ccccc2)nc1-c1nnn[n-]1 ZINC000822573562 606457778 /nfs/dbraw/zinc/45/77/78/606457778.db2.gz ASVQATRWFWBXOS-GFCCVEGCSA-N -1 1 312.764 2.867 20 0 DFADMM Clc1ccc(N2CC[C@@H]2c2ccccc2)nc1-c1nn[n-]n1 ZINC000822573562 606457780 /nfs/dbraw/zinc/45/77/80/606457780.db2.gz ASVQATRWFWBXOS-GFCCVEGCSA-N -1 1 312.764 2.867 20 0 DFADMM c1nc(-c2ccc(Oc3nccnc3-c3nn[n-]n3)cc2)cs1 ZINC000823809504 606471614 /nfs/dbraw/zinc/47/16/14/606471614.db2.gz NEIQMLANLKRBET-UHFFFAOYSA-N -1 1 323.341 2.573 20 0 DFADMM O=C(Nc1ccc2ccccc2n1)c1ccc(-c2nnn[n-]2)s1 ZINC000823355945 606496612 /nfs/dbraw/zinc/49/66/12/606496612.db2.gz GJMGNGMIMFKFGR-UHFFFAOYSA-N -1 1 322.353 2.729 20 0 DFADMM O=C(Nc1ccc2ccccc2n1)c1ccc(-c2nn[n-]n2)s1 ZINC000823355945 606496614 /nfs/dbraw/zinc/49/66/14/606496614.db2.gz GJMGNGMIMFKFGR-UHFFFAOYSA-N -1 1 322.353 2.729 20 0 DFADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC[C@@H]1c1ccccc1 ZINC000823484585 606527183 /nfs/dbraw/zinc/52/71/83/606527183.db2.gz ZIXUHWXTTITQBR-LLVKDONJSA-N -1 1 311.370 2.515 20 0 DFADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC[C@@H]1c1ccccc1 ZINC000823484585 606527185 /nfs/dbraw/zinc/52/71/85/606527185.db2.gz ZIXUHWXTTITQBR-LLVKDONJSA-N -1 1 311.370 2.515 20 0 DFADMM CC(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820038351 606550322 /nfs/dbraw/zinc/55/03/22/606550322.db2.gz MSHFFFWLSSRJKK-WDEREUQCSA-N -1 1 319.434 2.873 20 0 DFADMM CC(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820038351 606550323 /nfs/dbraw/zinc/55/03/23/606550323.db2.gz MSHFFFWLSSRJKK-WDEREUQCSA-N -1 1 319.434 2.873 20 0 DFADMM CC[C@H](C)[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820861810 606567451 /nfs/dbraw/zinc/56/74/51/606567451.db2.gz NWJGMOYYZYEEAZ-WDEREUQCSA-N -1 1 319.434 2.969 20 0 DFADMM CC[C@H](C)[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820861810 606567452 /nfs/dbraw/zinc/56/74/52/606567452.db2.gz NWJGMOYYZYEEAZ-WDEREUQCSA-N -1 1 319.434 2.969 20 0 DFADMM Cc1ccccc1-c1noc(-c2ccc(-c3nnn[n-]3)s2)n1 ZINC000822345989 606620176 /nfs/dbraw/zinc/62/01/76/606620176.db2.gz YVKSANNQMMSGTO-UHFFFAOYSA-N -1 1 310.342 2.954 20 0 DFADMM Cc1ccccc1-c1noc(-c2ccc(-c3nn[n-]n3)s2)n1 ZINC000822345989 606620178 /nfs/dbraw/zinc/62/01/78/606620178.db2.gz YVKSANNQMMSGTO-UHFFFAOYSA-N -1 1 310.342 2.954 20 0 DFADMM CCCC[C@@H](CC)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821040871 606650323 /nfs/dbraw/zinc/65/03/23/606650323.db2.gz UBNAWYVASYIVCM-GFCCVEGCSA-N -1 1 303.366 2.521 20 0 DFADMM CCCC[C@@H](CC)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821040871 606650324 /nfs/dbraw/zinc/65/03/24/606650324.db2.gz UBNAWYVASYIVCM-GFCCVEGCSA-N -1 1 303.366 2.521 20 0 DFADMM CCC1(CC)CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000820955998 606729550 /nfs/dbraw/zinc/72/95/50/606729550.db2.gz GYFYWUNMQSUUFZ-UHFFFAOYSA-N -1 1 312.830 2.993 20 0 DFADMM CCC1(CC)CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000820955998 606729551 /nfs/dbraw/zinc/72/95/51/606729551.db2.gz GYFYWUNMQSUUFZ-UHFFFAOYSA-N -1 1 312.830 2.993 20 0 DFADMM C[C@@H]1CCC[C@@H](CCOC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000820697882 606825808 /nfs/dbraw/zinc/82/58/08/606825808.db2.gz NOXJOSLNWSGICD-NEPJUHHUSA-N -1 1 315.377 2.635 20 0 DFADMM C[C@@H]1CCC[C@@H](CCOC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000820697882 606825809 /nfs/dbraw/zinc/82/58/09/606825809.db2.gz NOXJOSLNWSGICD-NEPJUHHUSA-N -1 1 315.377 2.635 20 0 DFADMM CC1(C)CCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820596838 606873755 /nfs/dbraw/zinc/87/37/55/606873755.db2.gz SECQXNBVPAJTPN-LLVKDONJSA-N -1 1 305.407 2.627 20 0 DFADMM CC1(C)CCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820596838 606873756 /nfs/dbraw/zinc/87/37/56/606873756.db2.gz SECQXNBVPAJTPN-LLVKDONJSA-N -1 1 305.407 2.627 20 0 DFADMM COc1cccc(COc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826216983 607865218 /nfs/dbraw/zinc/86/52/18/607865218.db2.gz UTLHZWFAJRETTC-UHFFFAOYSA-N -1 1 300.293 2.593 20 0 DFADMM COc1cccc(COc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826216983 607865219 /nfs/dbraw/zinc/86/52/19/607865219.db2.gz UTLHZWFAJRETTC-UHFFFAOYSA-N -1 1 300.293 2.593 20 0 DFADMM Cc1nc(Cl)cc(Oc2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826326182 607866980 /nfs/dbraw/zinc/86/69/80/607866980.db2.gz FCSCNXOUSYWMSX-UHFFFAOYSA-N -1 1 306.688 2.550 20 0 DFADMM CC(C)[C@H](CNc1cccc(-c2nnn[n-]2)n1)Nc1ccccc1 ZINC000824191478 607895354 /nfs/dbraw/zinc/89/53/54/607895354.db2.gz FUGSFGHUGFSIDY-HNNXBMFYSA-N -1 1 323.404 2.810 20 0 DFADMM CC(C)[C@H](CNc1cccc(-c2nn[n-]n2)n1)Nc1ccccc1 ZINC000824191478 607895355 /nfs/dbraw/zinc/89/53/55/607895355.db2.gz FUGSFGHUGFSIDY-HNNXBMFYSA-N -1 1 323.404 2.810 20 0 DFADMM Fc1cccc2c1C1(CCC1)CN2c1cccc(-c2nnn[n-]2)n1 ZINC000826378054 607898281 /nfs/dbraw/zinc/89/82/81/607898281.db2.gz SOGGLGYLKODEDJ-UHFFFAOYSA-N -1 1 322.347 2.974 20 0 DFADMM Fc1cccc2c1C1(CCC1)CN2c1cccc(-c2nn[n-]n2)n1 ZINC000826378054 607898282 /nfs/dbraw/zinc/89/82/82/607898282.db2.gz SOGGLGYLKODEDJ-UHFFFAOYSA-N -1 1 322.347 2.974 20 0 DFADMM Fc1cccc(CCN(c2cccc(-c3nnn[n-]3)n2)C2CC2)c1 ZINC000826376834 607902382 /nfs/dbraw/zinc/90/23/82/607902382.db2.gz USIBFDMFYAQIBO-UHFFFAOYSA-N -1 1 324.363 2.612 20 0 DFADMM Fc1cccc(CCN(c2cccc(-c3nn[n-]n3)n2)C2CC2)c1 ZINC000826376834 607902383 /nfs/dbraw/zinc/90/23/83/607902383.db2.gz USIBFDMFYAQIBO-UHFFFAOYSA-N -1 1 324.363 2.612 20 0 DFADMM Fc1cccc(OCc2csc(C3CC3)n2)c1-c1nnn[n-]1 ZINC000826377918 607966115 /nfs/dbraw/zinc/96/61/15/607966115.db2.gz MDBSTYKCCFNIGY-UHFFFAOYSA-N -1 1 317.349 2.919 20 0 DFADMM Fc1cccc(OCc2csc(C3CC3)n2)c1-c1nn[n-]n1 ZINC000826377918 607966116 /nfs/dbraw/zinc/96/61/16/607966116.db2.gz MDBSTYKCCFNIGY-UHFFFAOYSA-N -1 1 317.349 2.919 20 0 DFADMM c1cn(Cc2csc(C3CCCCC3)n2)c(-c2nnn[n-]2)n1 ZINC000826524830 608014023 /nfs/dbraw/zinc/01/40/23/608014023.db2.gz LYGAUPBGTCEBPZ-UHFFFAOYSA-N -1 1 315.406 2.616 20 0 DFADMM c1cn(Cc2csc(C3CCCCC3)n2)c(-c2nn[n-]n2)n1 ZINC000826524830 608014024 /nfs/dbraw/zinc/01/40/24/608014024.db2.gz LYGAUPBGTCEBPZ-UHFFFAOYSA-N -1 1 315.406 2.616 20 0 DFADMM CC[C@@H](C)CCCCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000825060561 608142695 /nfs/dbraw/zinc/14/26/95/608142695.db2.gz QZDHYWZJEUXACR-GFCCVEGCSA-N -1 1 317.393 2.911 20 0 DFADMM CC[C@@H](C)CCCCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825060561 608142696 /nfs/dbraw/zinc/14/26/96/608142696.db2.gz QZDHYWZJEUXACR-GFCCVEGCSA-N -1 1 317.393 2.911 20 0 DFADMM c1cn(Cc2ccc(-c3ccccc3)cc2)c(-c2nnn[n-]2)n1 ZINC000826519136 608147533 /nfs/dbraw/zinc/14/75/33/608147533.db2.gz LSEVVGGXTVIHBB-UHFFFAOYSA-N -1 1 302.341 2.779 20 0 DFADMM c1cn(Cc2ccc(-c3ccccc3)cc2)c(-c2nn[n-]n2)n1 ZINC000826519136 608147535 /nfs/dbraw/zinc/14/75/35/608147535.db2.gz LSEVVGGXTVIHBB-UHFFFAOYSA-N -1 1 302.341 2.779 20 0 DFADMM C[C@@H]1CCCC[C@@H]1N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC000824939976 608173369 /nfs/dbraw/zinc/17/33/69/608173369.db2.gz YOXDSCVOBUQLKU-SFYZADRCSA-N -1 1 312.830 2.992 20 0 DFADMM C[C@@H]1CCCC[C@@H]1N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC000824939976 608173370 /nfs/dbraw/zinc/17/33/70/608173370.db2.gz YOXDSCVOBUQLKU-SFYZADRCSA-N -1 1 312.830 2.992 20 0 DFADMM Clc1nsc(N2CCC[C@H]3CCC[C@@H]32)c1-c1nnn[n-]1 ZINC000826353936 608186253 /nfs/dbraw/zinc/18/62/53/608186253.db2.gz JSEAUFUWCPFECB-SFYZADRCSA-N -1 1 310.814 2.746 20 0 DFADMM Clc1nsc(N2CCC[C@H]3CCC[C@@H]32)c1-c1nn[n-]n1 ZINC000826353936 608186255 /nfs/dbraw/zinc/18/62/55/608186255.db2.gz JSEAUFUWCPFECB-SFYZADRCSA-N -1 1 310.814 2.746 20 0 DFADMM C[C@H]1C[C@H](CNc2cc(-c3nnn[n-]3)nc3ccccc32)CCO1 ZINC000824884037 608195620 /nfs/dbraw/zinc/19/56/20/608195620.db2.gz KRTBCXHJJOMWFP-NWDGAFQWSA-N -1 1 324.388 2.642 20 0 DFADMM C[C@H]1C[C@H](CNc2cc(-c3nn[n-]n3)nc3ccccc32)CCO1 ZINC000824884037 608195621 /nfs/dbraw/zinc/19/56/21/608195621.db2.gz KRTBCXHJJOMWFP-NWDGAFQWSA-N -1 1 324.388 2.642 20 0 DFADMM C[C@H]1CN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC[C@@H]1C ZINC000824962353 608303321 /nfs/dbraw/zinc/30/33/21/608303321.db2.gz TYTOONFDUPJECB-RYUDHWBXSA-N -1 1 308.389 2.897 20 0 DFADMM C[C@H]1CN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC[C@@H]1C ZINC000824962353 608303323 /nfs/dbraw/zinc/30/33/23/608303323.db2.gz TYTOONFDUPJECB-RYUDHWBXSA-N -1 1 308.389 2.897 20 0 DFADMM CC(C)c1ccc([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000824348119 608392953 /nfs/dbraw/zinc/39/29/53/608392953.db2.gz ZZKYHUKBPZYBOG-LLVKDONJSA-N -1 1 309.377 2.953 20 0 DFADMM CC(C)c1ccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000824348119 608392954 /nfs/dbraw/zinc/39/29/54/608392954.db2.gz ZZKYHUKBPZYBOG-LLVKDONJSA-N -1 1 309.377 2.953 20 0 DFADMM c1cc(OC2CCCC2)ccc1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826517770 608395787 /nfs/dbraw/zinc/39/57/87/608395787.db2.gz OBFTTZHFNDWMKF-UHFFFAOYSA-N -1 1 323.360 2.722 20 0 DFADMM c1cc(OC2CCCC2)ccc1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826517770 608395789 /nfs/dbraw/zinc/39/57/89/608395789.db2.gz OBFTTZHFNDWMKF-UHFFFAOYSA-N -1 1 323.360 2.722 20 0 DFADMM c1ccc([C@H]2CCCC[C@@H]2Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826521107 608406197 /nfs/dbraw/zinc/40/61/97/608406197.db2.gz ZSUSXMDBDLVYCZ-KGLIPLIRSA-N -1 1 321.388 2.795 20 0 DFADMM c1ccc([C@H]2CCCC[C@@H]2Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826521107 608406199 /nfs/dbraw/zinc/40/61/99/608406199.db2.gz ZSUSXMDBDLVYCZ-KGLIPLIRSA-N -1 1 321.388 2.795 20 0 DFADMM CC(C)(C)CN(Cc1ccccc1)c1ccc(-c2nnn[n-]2)nn1 ZINC000824085594 608412648 /nfs/dbraw/zinc/41/26/48/608412648.db2.gz HESJCGIRIVGDDT-UHFFFAOYSA-N -1 1 323.404 2.709 20 0 DFADMM CC(C)(C)CN(Cc1ccccc1)c1ccc(-c2nn[n-]n2)nn1 ZINC000824085594 608412650 /nfs/dbraw/zinc/41/26/50/608412650.db2.gz HESJCGIRIVGDDT-UHFFFAOYSA-N -1 1 323.404 2.709 20 0 DFADMM c1cc(N2CCCC3(C2)CCCCCC3)nnc1-c1nnn[n-]1 ZINC000826517303 608427005 /nfs/dbraw/zinc/42/70/05/608427005.db2.gz YEQABUORCZUJFH-UHFFFAOYSA-N -1 1 313.409 2.598 20 0 DFADMM c1cc(N2CCCC3(C2)CCCCCC3)nnc1-c1nn[n-]n1 ZINC000826517303 608427006 /nfs/dbraw/zinc/42/70/06/608427006.db2.gz YEQABUORCZUJFH-UHFFFAOYSA-N -1 1 313.409 2.598 20 0 DFADMM Cc1ccc([C@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826285906 608429451 /nfs/dbraw/zinc/42/94/51/608429451.db2.gz NIMHIALDDJWFOA-OAHLLOKOSA-N -1 1 321.388 2.697 20 0 DFADMM Cc1ccc([C@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826285906 608429453 /nfs/dbraw/zinc/42/94/53/608429453.db2.gz NIMHIALDDJWFOA-OAHLLOKOSA-N -1 1 321.388 2.697 20 0 DFADMM Brc1ccccc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000823832880 608449152 /nfs/dbraw/zinc/44/91/52/608449152.db2.gz XUCPTRBGJUVRCP-UHFFFAOYSA-N -1 1 320.150 2.834 20 0 DFADMM Brc1ccccc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000823832880 608449151 /nfs/dbraw/zinc/44/91/51/608449151.db2.gz XUCPTRBGJUVRCP-UHFFFAOYSA-N -1 1 320.150 2.834 20 0 DFADMM COc1ccc(CCOc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826192413 608475659 /nfs/dbraw/zinc/47/56/59/608475659.db2.gz MMXUUCISEDLBCT-UHFFFAOYSA-N -1 1 314.320 2.636 20 0 DFADMM COc1ccc(CCOc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826192413 608475660 /nfs/dbraw/zinc/47/56/60/608475660.db2.gz MMXUUCISEDLBCT-UHFFFAOYSA-N -1 1 314.320 2.636 20 0 DFADMM C[C@H](c1cc(F)ccc1F)N(C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000824763492 608525914 /nfs/dbraw/zinc/52/59/14/608525914.db2.gz MSVFKRFZGOZEIF-SECBINFHSA-N -1 1 319.315 2.931 20 0 DFADMM C[C@H](c1cc(F)ccc1F)N(C)Cc1ccc(-c2nn[n-]n2)o1 ZINC000824763492 608525915 /nfs/dbraw/zinc/52/59/15/608525915.db2.gz MSVFKRFZGOZEIF-SECBINFHSA-N -1 1 319.315 2.931 20 0 DFADMM CCN(Cc1ccc(-c2nnn[n-]2)o1)Cc1c(F)cccc1F ZINC000825429119 608671067 /nfs/dbraw/zinc/67/10/67/608671067.db2.gz WZBDKBJLOPLHOC-UHFFFAOYSA-N -1 1 319.315 2.760 20 0 DFADMM CCN(Cc1ccc(-c2nn[n-]n2)o1)Cc1c(F)cccc1F ZINC000825429119 608671070 /nfs/dbraw/zinc/67/10/70/608671070.db2.gz WZBDKBJLOPLHOC-UHFFFAOYSA-N -1 1 319.315 2.760 20 0 DFADMM CC1(COC(=O)c2ccc(-c3nnn[n-]3)nc2)CCCCCC1 ZINC000824830750 609154540 /nfs/dbraw/zinc/15/45/40/609154540.db2.gz KMUUYIDJHMTDLT-UHFFFAOYSA-N -1 1 315.377 2.779 20 0 DFADMM CC1(COC(=O)c2ccc(-c3nn[n-]n3)nc2)CCCCCC1 ZINC000824830750 609154542 /nfs/dbraw/zinc/15/45/42/609154542.db2.gz KMUUYIDJHMTDLT-UHFFFAOYSA-N -1 1 315.377 2.779 20 0 DFADMM O=C(OCc1ccc(CF)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826465141 609240979 /nfs/dbraw/zinc/24/09/79/609240979.db2.gz AHQLIMQMQPELQI-UHFFFAOYSA-N -1 1 318.333 2.755 20 0 DFADMM O=C(OCc1ccc(CF)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826465141 609240980 /nfs/dbraw/zinc/24/09/80/609240980.db2.gz AHQLIMQMQPELQI-UHFFFAOYSA-N -1 1 318.333 2.755 20 0 DFADMM CC(C)[C@H](C)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824192459 609350071 /nfs/dbraw/zinc/35/00/71/609350071.db2.gz JZHNWZDUJNWYMA-JTQLQIEISA-N -1 1 315.356 2.648 20 0 DFADMM Cc1c(Cl)cnc(Oc2cccnc2F)c1-c1nn[n-]n1 ZINC000826241257 609572218 /nfs/dbraw/zinc/57/22/18/609572218.db2.gz WXYMWGFVJXIHEJ-UHFFFAOYSA-N -1 1 306.688 2.550 20 0 DFADMM C[C@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC(C)(C)C1 ZINC000824991704 609592324 /nfs/dbraw/zinc/59/23/24/609592324.db2.gz FMIQKUITSVUFQU-SECBINFHSA-N -1 1 306.801 2.788 20 0 DFADMM C[C@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC(C)(C)C1 ZINC000824991704 609592325 /nfs/dbraw/zinc/59/23/25/609592325.db2.gz FMIQKUITSVUFQU-SECBINFHSA-N -1 1 306.801 2.788 20 0 DFADMM O=S(=O)(C[C@H]1CCCCO1)[N-]c1ccc2scnc2c1 ZINC000076936826 185058189 /nfs/dbraw/zinc/05/81/89/185058189.db2.gz LWCZDFUWBACATQ-LLVKDONJSA-N -1 1 312.416 2.607 20 0 DFADMM O=C(c1cc(F)ccc1[O-])N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000081937254 192342067 /nfs/dbraw/zinc/34/20/67/192342067.db2.gz DPDJFQJPICGQET-MRXNPFEDSA-N -1 1 319.307 2.884 20 0 DFADMM O=c1cc(C2CC2)nc(S[C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)[n-]1 ZINC000522117919 398360278 /nfs/dbraw/zinc/36/02/78/398360278.db2.gz VQNOXMNWIVPBPS-DMDPSCGWSA-N -1 1 319.430 2.599 20 0 DFADMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2cccc(C)c2)n1 ZINC000009291554 398374461 /nfs/dbraw/zinc/37/44/61/398374461.db2.gz KMOHOHGTGNGBQG-NSHDSACASA-N -1 1 317.414 2.760 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000081837654 398373915 /nfs/dbraw/zinc/37/39/15/398373915.db2.gz YMDXYBQDCQGTRI-NWDGAFQWSA-N -1 1 321.446 2.911 20 0 DFADMM Cc1cccc(NC(=O)[C@H](C)Sc2nc(C)c(C)c(=O)[n-]2)c1 ZINC000009291576 398375168 /nfs/dbraw/zinc/37/51/68/398375168.db2.gz LYLRMLJRDDEFRH-LBPRGKRZSA-N -1 1 317.414 2.814 20 0 DFADMM C[C@H]1CN(C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)[C@H]1c1ccccc1 ZINC000365774276 290663241 /nfs/dbraw/zinc/66/32/41/290663241.db2.gz DLDUJWXNMASSGQ-DGDAERBZSA-N -1 1 321.384 2.567 20 0 DFADMM C[C@H](OC[C@@H]1CCCO1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000278212830 214026341 /nfs/dbraw/zinc/02/63/41/214026341.db2.gz QHVWFAMWQCSVSO-ONGXEEELSA-N -1 1 308.309 2.838 20 0 DFADMM C[C@@H](OC[C@@H]1CCCO1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000278212824 214025729 /nfs/dbraw/zinc/02/57/29/214025729.db2.gz QHVWFAMWQCSVSO-KOLCDFICSA-N -1 1 308.309 2.838 20 0 DFADMM O=c1cc(CN[C@@H](CCCO)c2ccccc2)nc(C2CC2)[nH]1 ZINC000459384332 299092579 /nfs/dbraw/zinc/09/25/79/299092579.db2.gz IDUVGYYUWNPINX-INIZCTEOSA-N -1 1 313.401 2.663 20 0 DFADMM Cc1n[n-]c(=S)n1CCNC(=O)Nc1cc(C)ccc1F ZINC000084294687 398397022 /nfs/dbraw/zinc/39/70/22/398397022.db2.gz ARFZHYICVBCWJY-UHFFFAOYSA-N -1 1 309.370 2.518 20 0 DFADMM Cc1ccc2oc(N3CCN(CCCCC(=O)[O-])CC3)nc2c1 ZINC000181585878 199323457 /nfs/dbraw/zinc/32/34/57/199323457.db2.gz JBSUXZBRMCSUFC-UHFFFAOYSA-N -1 1 317.389 2.513 20 0 DFADMM CC[C@@H](CSC)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000181615601 199327867 /nfs/dbraw/zinc/32/78/67/199327867.db2.gz CJUPYEREHIPKNA-ZETCQYMHSA-N -1 1 313.366 2.524 20 0 DFADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2CCCOC2)c1 ZINC000182935306 199512951 /nfs/dbraw/zinc/51/29/51/199512951.db2.gz ZCYIERMJNBQSMX-VIFPVBQESA-N -1 1 314.179 2.828 20 0 DFADMM Cc1cc(C(=O)NCCc2n[n-]c(=S)n2C(C)C)ccc1F ZINC000067074867 398415826 /nfs/dbraw/zinc/41/58/26/398415826.db2.gz ZNLJHRFRGYDASQ-UHFFFAOYSA-N -1 1 322.409 2.942 20 0 DFADMM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1csc(Br)c1 ZINC000086257349 398420036 /nfs/dbraw/zinc/42/00/36/398420036.db2.gz JZAVFFFTBWDZGY-VXNVDRBHSA-N -1 1 304.209 2.806 20 0 DFADMM CC[C@H](NCc1ccc(-c2ccc(C(=O)OC)cc2)o1)C(=O)[O-] ZINC000592424001 398424536 /nfs/dbraw/zinc/42/45/36/398424536.db2.gz UONJWMZRKMMZTE-AWEZNQCLSA-N -1 1 317.341 2.686 20 0 DFADMM CCCCCNC(=O)[C@@H](C)Sc1nc(CCC)cc(=O)[n-]1 ZINC000022931058 398421350 /nfs/dbraw/zinc/42/13/50/398421350.db2.gz RDTVNQNBGUAHPQ-LLVKDONJSA-N -1 1 311.451 2.922 20 0 DFADMM COc1ccc(OC)c(CNC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000026395557 398452419 /nfs/dbraw/zinc/45/24/19/398452419.db2.gz WJSSCSKSJNRAOO-UHFFFAOYSA-N -1 1 321.760 2.993 20 0 DFADMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2ccccc2)n1 ZINC000017946292 282371060 /nfs/dbraw/zinc/37/10/60/282371060.db2.gz HRXLNWVCCRYRGJ-LLVKDONJSA-N -1 1 317.414 2.842 20 0 DFADMM O=C(Nc1ccc(Oc2cccnc2)nc1)c1cncc([O-])c1 ZINC000089993725 398473646 /nfs/dbraw/zinc/47/36/46/398473646.db2.gz RYYRYSDPKXAKPT-UHFFFAOYSA-N -1 1 308.297 2.622 20 0 DFADMM COC(=O)c1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1C ZINC000028249039 398472791 /nfs/dbraw/zinc/47/27/91/398472791.db2.gz LXFOADYHVOZQTM-UHFFFAOYSA-N -1 1 323.345 2.722 20 0 DFADMM CCOCCCCNC(=O)c1cc(Br)ccc1[O-] ZINC000048704789 282385515 /nfs/dbraw/zinc/38/55/15/282385515.db2.gz GINGTFJCBAJUDX-UHFFFAOYSA-N -1 1 316.195 2.701 20 0 DFADMM CCOc1cc(C(=O)NC[C@H](C)CCOC)cc(Cl)c1[O-] ZINC000413878687 295746982 /nfs/dbraw/zinc/74/69/82/295746982.db2.gz MQQUFXHPFUSCNA-SNVBAGLBSA-N -1 1 315.797 2.847 20 0 DFADMM COC(=O)[C@H](c1ccccc1C)N1CCC[C@@H](CC(=O)[O-])CC1 ZINC000592990508 398515303 /nfs/dbraw/zinc/51/53/03/398515303.db2.gz ZZWWYOPUKYAHAZ-PBHICJAKSA-N -1 1 319.401 2.786 20 0 DFADMM CC1(C)[C@@H](C(F)(F)F)CCN1Cc1ccc(C(=O)[O-])cn1 ZINC000313969606 398517700 /nfs/dbraw/zinc/51/77/00/398517700.db2.gz DGCODMHFICJDMZ-NSHDSACASA-N -1 1 302.296 2.943 20 0 DFADMM CC(C)[C@H]1N(C(=O)c2cc(F)ccc2[O-])CC12CCOCC2 ZINC000413968357 295753395 /nfs/dbraw/zinc/75/33/95/295753395.db2.gz CFDDKUYNIABIIL-OAHLLOKOSA-N -1 1 307.365 2.809 20 0 DFADMM CC(F)(F)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000559130728 301866112 /nfs/dbraw/zinc/86/61/12/301866112.db2.gz BLMGOIUEOBGCHT-UHFFFAOYSA-N -1 1 321.242 2.778 20 0 DFADMM CCN(Cc1occc1C)C(=O)c1c(C)[n-]c(=O)nc1SC ZINC000413981180 295754471 /nfs/dbraw/zinc/75/44/71/295754471.db2.gz QABBEBBVWIBBEN-UHFFFAOYSA-N -1 1 321.402 2.776 20 0 DFADMM COc1cc(C(=O)NC(C)(C)COC(C)C)cc(Cl)c1[O-] ZINC000414002258 295756624 /nfs/dbraw/zinc/75/66/24/295756624.db2.gz UHKJFHQEUGNENE-UHFFFAOYSA-N -1 1 315.797 2.988 20 0 DFADMM CC(C)(C)CN1C(=O)C(C)(C)N[C@@H]1c1cc(F)c([O-])c(F)c1 ZINC000414179205 295774783 /nfs/dbraw/zinc/77/47/83/295774783.db2.gz INPIATLCSVGKDJ-ZDUSSCGKSA-N -1 1 312.360 2.926 20 0 DFADMM Cc1cc([O-])c(C(=O)C=Cc2ccc(OC(F)F)cc2)c(=O)o1 ZINC000033779443 398546056 /nfs/dbraw/zinc/54/60/56/398546056.db2.gz XFJTYXVVQLNYIB-HJHHMULASA-N -1 1 322.263 2.516 20 0 DFADMM CCOC(=O)c1ccc(NC(=O)c2ccc(OC)cc2[O-])cc1 ZINC000033816381 398546120 /nfs/dbraw/zinc/54/61/20/398546120.db2.gz PGULAHGZTHLJTB-UHFFFAOYSA-N -1 1 315.325 2.830 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCC1=CCCCC1 ZINC000080494747 192162900 /nfs/dbraw/zinc/16/29/00/192162900.db2.gz MNORPHZBNFZLQW-UHFFFAOYSA-N -1 1 307.419 2.833 20 0 DFADMM C[S@@](=O)c1cccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000350611490 398608399 /nfs/dbraw/zinc/60/83/99/398608399.db2.gz ONBWJDSYMLPIOM-JOCHJYFZSA-N -1 1 318.329 2.986 20 0 DFADMM O=C([O-])CCN(Cc1ccccc1)C(=O)c1cccc2c[nH]nc21 ZINC000590410956 398620109 /nfs/dbraw/zinc/62/01/09/398620109.db2.gz JGKYKKYEXLJEBA-UHFFFAOYSA-N -1 1 323.352 2.680 20 0 DFADMM O=C(c1ncccc1[O-])N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000183841351 186223615 /nfs/dbraw/zinc/22/36/15/186223615.db2.gz FAMUFXWJXAXGGO-AWEZNQCLSA-N -1 1 318.760 2.654 20 0 DFADMM C[C@@H](NC(=O)c1cc(Cl)ccc1[O-])C(=O)Nc1ccccc1 ZINC000112019091 282716613 /nfs/dbraw/zinc/71/66/13/282716613.db2.gz SWINOTJHXCZBFG-SNVBAGLBSA-N -1 1 318.760 2.803 20 0 DFADMM O=C(c1ccc([O-])c(F)c1)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000681089512 545594568 /nfs/dbraw/zinc/59/45/68/545594568.db2.gz LIJUEWWJXMAVBX-CQSZACIVSA-N -1 1 319.332 2.946 20 0 DFADMM O=C(Nc1ccn(-c2ccncc2)n1)c1ccc([O-])c(Cl)c1 ZINC000073134063 398664006 /nfs/dbraw/zinc/66/40/06/398664006.db2.gz ZJSWZHHIXAFDAO-UHFFFAOYSA-N -1 1 314.732 2.879 20 0 DFADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc2c(cccc2F)[nH]1 ZINC000045571321 398677983 /nfs/dbraw/zinc/67/79/83/398677983.db2.gz NSAIQIOLJMLKNB-UHFFFAOYSA-N -1 1 313.214 2.696 20 0 DFADMM CN(CCN(C)c1ccccc1)C(=O)c1c([O-])cccc1F ZINC000123661101 282851958 /nfs/dbraw/zinc/85/19/58/282851958.db2.gz MHWIZGQPKXQTER-UHFFFAOYSA-N -1 1 302.349 2.740 20 0 DFADMM COC(=O)C1CCC(NC(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000106675949 398698400 /nfs/dbraw/zinc/69/84/00/398698400.db2.gz LNSBYUNSHVVQAZ-UHFFFAOYSA-N -1 1 311.765 2.507 20 0 DFADMM COC(=O)C1CCC(NC(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000106672619 398698644 /nfs/dbraw/zinc/69/86/44/398698644.db2.gz OMMUZKPXFKQQPR-UHFFFAOYSA-N -1 1 311.765 2.507 20 0 DFADMM NC(=O)c1cccc(CNC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000127545200 282948266 /nfs/dbraw/zinc/94/82/66/282948266.db2.gz LHJNMSJUKBTMJI-UHFFFAOYSA-N -1 1 320.348 2.574 20 0 DFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H](C)C(C)(C)C ZINC000112307905 398733414 /nfs/dbraw/zinc/73/34/14/398733414.db2.gz KPNGTCFULWDEFK-GFCCVEGCSA-N -1 1 318.421 2.535 20 0 DFADMM CNC(=O)c1sc2[n-]c(-c3ccc(Cl)o3)nc(=O)c2c1C ZINC000131441884 283085452 /nfs/dbraw/zinc/08/54/52/283085452.db2.gz SVDCJGPWFDSJJH-UHFFFAOYSA-N -1 1 323.761 2.566 20 0 DFADMM CCOC(=O)c1c[n-]c(NC(=O)c2ccccc2SCC)n1 ZINC000591302928 398746872 /nfs/dbraw/zinc/74/68/72/398746872.db2.gz GEHNUGKKXGTBSG-UHFFFAOYSA-N -1 1 319.386 2.951 20 0 DFADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000047367381 398746165 /nfs/dbraw/zinc/74/61/65/398746165.db2.gz CBUUZCDKKHTPAW-UHFFFAOYSA-N -1 1 304.371 2.754 20 0 DFADMM CC(C)n1c(CCNC(=O)CCC(F)(F)F)n[n-]c1=S ZINC000080173437 192009035 /nfs/dbraw/zinc/00/90/35/192009035.db2.gz LOBXTPLOIYEUSV-UHFFFAOYSA-N -1 1 310.345 2.523 20 0 DFADMM C[C@H]1C[C@H](C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)CC(C)(C)C1 ZINC000279727406 291099886 /nfs/dbraw/zinc/09/98/86/291099886.db2.gz IWOAGUHFUADDKX-ZGNYSXHWSA-N -1 1 300.406 2.743 20 0 DFADMM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000119141439 398774699 /nfs/dbraw/zinc/77/46/99/398774699.db2.gz 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/nfs/dbraw/zinc/93/50/81/295935081.db2.gz GUYZKKKXQJEDHB-ZDUSSCGKSA-N -1 1 318.323 2.913 20 0 DFADMM Cc1ccc2c([O-])c(C(=O)N[C@H](C)c3ccccn3)cnc2n1 ZINC000135339974 283215671 /nfs/dbraw/zinc/21/56/71/283215671.db2.gz ZFUUWBINBVITIN-LLVKDONJSA-N -1 1 308.341 2.530 20 0 DFADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@H](C)c1ccccn1)c2=O ZINC000135339974 283215675 /nfs/dbraw/zinc/21/56/75/283215675.db2.gz ZFUUWBINBVITIN-LLVKDONJSA-N -1 1 308.341 2.530 20 0 DFADMM CC[C@@H](NC(=O)c1c(C)[n-]c(=O)nc1SC)[C@H]1CC1(C)C ZINC000416273814 295937471 /nfs/dbraw/zinc/93/74/71/295937471.db2.gz HNMMDNPGQLEAKQ-NXEZZACHSA-N -1 1 309.435 2.767 20 0 DFADMM CC(C)(C)OC(=O)CN(C(=O)c1ccc([O-])c(F)c1)C1CCC1 ZINC000594430475 398799826 /nfs/dbraw/zinc/79/98/26/398799826.db2.gz ZSCUSLKTPLCGKI-UHFFFAOYSA-N -1 1 323.364 2.868 20 0 DFADMM CCC[C@H](NC(=O)c1cccc(OCC(C)C)c1)c1nn[n-]n1 ZINC000136696435 283243341 /nfs/dbraw/zinc/24/33/41/283243341.db2.gz MBHGZFDKFRJRQE-AWEZNQCLSA-N -1 1 317.393 2.506 20 0 DFADMM 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ZINC000351585359 286160456 /nfs/dbraw/zinc/16/04/56/286160456.db2.gz WMDIWJBVGFUMAK-IUCAKERBSA-N -1 1 314.179 2.827 20 0 DFADMM Cc1noc([C@H](C)[N-]S(=O)(=O)c2csc3ccccc32)n1 ZINC000351664504 286186397 /nfs/dbraw/zinc/18/63/97/286186397.db2.gz LEPLDQMICMNTBK-QMMMGPOBSA-N -1 1 323.399 2.632 20 0 DFADMM COCc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2OC)c1 ZINC000426816169 296641895 /nfs/dbraw/zinc/64/18/95/296641895.db2.gz JAMRERQXLRFYSB-QGZVFWFLSA-N -1 1 315.369 2.757 20 0 DFADMM CC(C)(CF)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000351774763 286215420 /nfs/dbraw/zinc/21/54/20/286215420.db2.gz OBXFKEGESPIVDK-UHFFFAOYSA-N -1 1 316.217 2.537 20 0 DFADMM O=C1CN(Cc2cccc([O-])c2Cl)CN1Cc1ccccc1 ZINC000351795727 286220056 /nfs/dbraw/zinc/22/00/56/286220056.db2.gz POGBXRUFGURTHT-UHFFFAOYSA-N -1 1 316.788 2.848 20 0 DFADMM CCc1cccc(Cl)c1/C=C\c1cc(=O)n2[n-]cnc2n1 ZINC000352034693 286275557 /nfs/dbraw/zinc/27/55/57/286275557.db2.gz GNBYSDDPMXMNBG-SREVYHEPSA-N -1 1 300.749 2.804 20 0 DFADMM Cc1cc(C(F)(F)F)ccc1/C=C\c1cc(=O)n2[n-]cnc2n1 ZINC000352034998 286275837 /nfs/dbraw/zinc/27/58/37/286275837.db2.gz KPACVRHZHRFTAM-HYXAFXHYSA-N -1 1 320.274 2.915 20 0 DFADMM Cc1cnc(C(=O)NCc2csc(-c3ccco3)n2)c([O-])c1 ZINC000427757422 296667188 /nfs/dbraw/zinc/66/71/88/296667188.db2.gz YRKAZSHZUIWYGF-UHFFFAOYSA-N -1 1 315.354 2.742 20 0 DFADMM COc1ccc(CNC(=O)c2ncc(C)cc2[O-])cc1Cl ZINC000427759467 296667273 /nfs/dbraw/zinc/66/72/73/296667273.db2.gz ODLYQAYTNRPLCC-UHFFFAOYSA-N -1 1 306.749 2.688 20 0 DFADMM COCc1ccccc1S(=O)(=O)[N-]c1cc(CC(C)C)n[nH]1 ZINC000352101233 286292010 /nfs/dbraw/zinc/29/20/10/286292010.db2.gz XBQOVRGAQCQIOU-UHFFFAOYSA-N -1 1 323.418 2.555 20 0 DFADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H]2C[C@@H]2c2sccc2C)n1 ZINC000352158007 286307809 /nfs/dbraw/zinc/30/78/09/286307809.db2.gz CNDULODZEYQFCM-VHSXEESVSA-N -1 1 319.386 2.699 20 0 DFADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H](C)OC2CCCCCC2)n1 ZINC000352158485 286307928 /nfs/dbraw/zinc/30/79/28/286307928.db2.gz JVENYEVGHNIEJB-LLVKDONJSA-N 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/nfs/dbraw/zinc/40/42/74/286404274.db2.gz SCHDSUPZIBPBRR-NWDGAFQWSA-N -1 1 312.369 2.944 20 0 DFADMM O=S(=O)([N-]CC(F)(F)c1ccccc1)c1cccs1 ZINC000352728185 286452321 /nfs/dbraw/zinc/45/23/21/286452321.db2.gz UPHBGIAQEROFHY-UHFFFAOYSA-N -1 1 303.355 2.818 20 0 DFADMM Cc1[nH]nc2ncc(C(=O)Nc3ccc([O-])c(Cl)c3)cc12 ZINC000182860256 158008342 /nfs/dbraw/zinc/00/83/42/158008342.db2.gz DERZCZXNYIQVGK-UHFFFAOYSA-N -1 1 302.721 2.878 20 0 DFADMM O=C(CCC(=O)NC1CCCC1)Nc1ccc([O-])c(Cl)c1 ZINC000182872962 158010094 /nfs/dbraw/zinc/01/00/94/158010094.db2.gz DDYHCAMPTDKLIG-UHFFFAOYSA-N -1 1 310.781 2.823 20 0 DFADMM CC[C@H](CC(F)(F)F)NC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000355118144 158277696 /nfs/dbraw/zinc/27/76/96/158277696.db2.gz PABNATZPANLVLW-SSDOTTSWSA-N -1 1 323.340 2.673 20 0 DFADMM CCCc1nc(=NC[C@@H](C(=O)OCC)c2ccccc2)s[n-]1 ZINC000360052887 158434383 /nfs/dbraw/zinc/43/43/83/158434383.db2.gz QLRPCTGBZKCOMX-CYBMUJFWSA-N -1 1 319.430 2.671 20 0 DFADMM CC[C@H]([N-]S(=O)(=O)c1sc(C)cc1C)C(F)(F)F 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O=S(=O)([N-]Cc1ccc(O)cc1)c1c(F)cccc1Cl ZINC000132761429 196281883 /nfs/dbraw/zinc/28/18/83/196281883.db2.gz MIYINBLIEBNZEX-UHFFFAOYSA-N -1 1 315.753 2.663 20 0 DFADMM O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)c1ncccc1[O-] ZINC000132915642 196295942 /nfs/dbraw/zinc/29/59/42/196295942.db2.gz RLRZUETYVGVDOU-UKRRQHHQSA-N -1 1 312.369 2.685 20 0 DFADMM O=C(NCc1ncc(-c2ccccc2)cn1)c1ccc([O-])c(F)c1 ZINC000681069664 545592517 /nfs/dbraw/zinc/59/25/17/545592517.db2.gz HWXANLLKTXHFBM-UHFFFAOYSA-N -1 1 323.327 2.918 20 0 DFADMM C[C@H]1CC(C)(C)C[C@@](CO)(NC(=O)c2ccc([O-])c(F)c2)C1 ZINC000681069876 545592585 /nfs/dbraw/zinc/59/25/85/545592585.db2.gz NZCMOYYZBCELJI-GTNSWQLSSA-N -1 1 309.381 2.838 20 0 DFADMM Cc1cc(C)c(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)s1 ZINC000295698068 225136589 /nfs/dbraw/zinc/13/65/89/225136589.db2.gz DXQFCZHCWADLIR-UHFFFAOYSA-N -1 1 312.420 2.551 20 0 DFADMM O=C(c1ncc2ccccc2c1[O-])N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000668090118 543736186 /nfs/dbraw/zinc/73/61/86/543736186.db2.gz 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/nfs/dbraw/zinc/13/57/20/544135720.db2.gz IORZIOXCOFZKEG-UHFFFAOYSA-N -1 1 301.317 2.529 20 0 DFADMM CCc1ccc(CS(=O)(=O)[N-][C@@H]2CCCC2(F)F)cc1 ZINC000672429289 544137243 /nfs/dbraw/zinc/13/72/43/544137243.db2.gz FIVBKJTXGKMRGS-CYBMUJFWSA-N -1 1 303.374 2.856 20 0 DFADMM Cc1ccc(CS(=O)(=O)[N-][C@H]2CCCC2(F)F)cc1C ZINC000673575603 544185246 /nfs/dbraw/zinc/18/52/46/544185246.db2.gz KGINPNLKGHYEHP-ZDUSSCGKSA-N -1 1 303.374 2.911 20 0 DFADMM O=S(=O)([N-]C1(C(F)F)CCCC1)c1cc(F)cc(F)c1 ZINC000673586521 544185512 /nfs/dbraw/zinc/18/55/12/544185512.db2.gz JLDZNXMVPOEXGI-UHFFFAOYSA-N -1 1 311.300 2.821 20 0 DFADMM O=C(NC[C@H](CO)c1ccc(Cl)cc1)c1c([O-])cccc1F ZINC000673369796 544176824 /nfs/dbraw/zinc/17/68/24/544176824.db2.gz JIODSIPOAAPOJH-LLVKDONJSA-N -1 1 323.751 2.691 20 0 DFADMM COCCC1(C)CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000291346422 222328177 /nfs/dbraw/zinc/32/81/77/222328177.db2.gz XAYHHTLWWQTIRI-UHFFFAOYSA-N -1 1 317.307 2.910 20 0 DFADMM Cc1ncoc1C(=O)[N-]c1nnc(Cc2ccccc2)s1 ZINC000673834045 544201591 /nfs/dbraw/zinc/20/15/91/544201591.db2.gz JNUOGKYNQLQZKY-UHFFFAOYSA-N -1 1 300.343 2.678 20 0 DFADMM CCN(C[C@@H](C)OC)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000291372163 222348312 /nfs/dbraw/zinc/34/83/12/222348312.db2.gz ZJXLIMVNVNTVCL-SECBINFHSA-N -1 1 305.296 2.908 20 0 DFADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ncc(Cl)s2)c1 ZINC000673938670 544209366 /nfs/dbraw/zinc/20/93/66/544209366.db2.gz AKOWGUBHHCMOLQ-UHFFFAOYSA-N -1 1 311.750 2.713 20 0 DFADMM O=C(c1nc2ccccc2c(=O)[n-]1)N(C1CC1)C1CCCCC1 ZINC000674072728 544217538 /nfs/dbraw/zinc/21/75/38/544217538.db2.gz KEOLSTPETLOQIB-UHFFFAOYSA-N -1 1 311.385 2.860 20 0 DFADMM COc1cccc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)c1 ZINC000675547183 544318746 /nfs/dbraw/zinc/31/87/46/544318746.db2.gz PSXFYWMAQGKBJV-UHFFFAOYSA-N -1 1 321.402 2.877 20 0 DFADMM CCCC1(C[N-]S(=O)(=O)c2c(F)cc(OC)cc2F)CC1 ZINC000675328075 544302977 /nfs/dbraw/zinc/30/29/77/544302977.db2.gz BJNYEFOKIGFHAM-UHFFFAOYSA-N -1 1 319.373 2.832 20 0 DFADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)[C@@H]2CCSC2)CC1 ZINC000675592140 544321467 /nfs/dbraw/zinc/32/14/67/544321467.db2.gz GFHSQEIJSLZRLU-CQSZACIVSA-N -1 1 319.426 2.567 20 0 DFADMM Cc1c(NC(=O)c2cc(-c3ccoc3)n[nH]2)cccc1C(=O)[O-] ZINC000675966499 544346522 /nfs/dbraw/zinc/34/65/22/544346522.db2.gz LPCANQOYSQOODF-UHFFFAOYSA-N -1 1 311.297 2.929 20 0 DFADMM Cc1[nH]nc(C(=O)Nc2nc(-c3ccc(O)cc3)cs2)c1[O-] ZINC000676630940 544389235 /nfs/dbraw/zinc/38/92/35/544389235.db2.gz IMNWWFNFAAHIKC-UHFFFAOYSA-N -1 1 316.342 2.505 20 0 DFADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cnn2c1CCCC2 ZINC000676829393 544408418 /nfs/dbraw/zinc/40/84/18/544408418.db2.gz LRLFPDWJTVZPLM-UHFFFAOYSA-N -1 1 323.356 2.567 20 0 DFADMM CCc1cc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)ncn1 ZINC000677231766 544456265 /nfs/dbraw/zinc/45/62/65/544456265.db2.gz FMJPNWUNZIWUOF-UHFFFAOYSA-N -1 1 311.385 2.844 20 0 DFADMM CN1Cc2ccccc2[C@@H](NC(=O)c2cc(Cl)ccc2[O-])C1 ZINC000677497073 544498310 /nfs/dbraw/zinc/49/83/10/544498310.db2.gz 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/nfs/dbraw/zinc/35/93/99/426359399.db2.gz CHGLZPPSZHWZOT-QPUJVOFHSA-N -1 1 316.170 2.883 20 0 DFADMM CC(C)n1cnnc1-c1ccccc1NC(=O)c1cncc([O-])c1 ZINC000339905212 268913472 /nfs/dbraw/zinc/91/34/72/268913472.db2.gz QEMFUIBEYUOUFR-UHFFFAOYSA-N -1 1 323.356 2.879 20 0 DFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1Cc2ccccc2C1 ZINC000176243627 426362923 /nfs/dbraw/zinc/36/29/23/426362923.db2.gz CELPQRCYLXPWOC-UHFFFAOYSA-N -1 1 311.385 2.532 20 0 DFADMM O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ncccc1[O-] ZINC000122726083 426391504 /nfs/dbraw/zinc/39/15/04/426391504.db2.gz HHYQCSXDASNTHO-INIZCTEOSA-N -1 1 305.337 2.702 20 0 DFADMM CCC[C@H](NC(=O)C[C@H]1CCCc2ccccc21)c1nn[n-]n1 ZINC000176747912 426410646 /nfs/dbraw/zinc/41/06/46/426410646.db2.gz HTCINDSOIHDREP-HIFRSBDPSA-N -1 1 313.405 2.667 20 0 DFADMM CCC[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nn[n-]n1 ZINC000176754426 426411640 /nfs/dbraw/zinc/41/16/40/426411640.db2.gz DBNGNSVQZQSLTO-JTQLQIEISA-N -1 1 314.176 2.778 20 0 DFADMM CCC[C@@H](NC(=O)c1cc2c(s1)CC[C@H](C)C2)c1nn[n-]n1 ZINC000176773455 426413543 /nfs/dbraw/zinc/41/35/43/426413543.db2.gz RPEDTYGNRKOVNH-GXSJLCMTSA-N -1 1 319.434 2.657 20 0 DFADMM CCC[C@H](NC(=O)C[C@@H](CC)c1ccccc1)c1nn[n-]n1 ZINC000176792670 426415141 /nfs/dbraw/zinc/41/51/41/426415141.db2.gz GBUDYCNDTKNWSP-OCCSQVGLSA-N -1 1 301.394 2.741 20 0 DFADMM O=C(C[C@H]1CCCN1C(=O)c1ncccc1[O-])c1ccccc1 ZINC000153968148 426415871 /nfs/dbraw/zinc/41/58/71/426415871.db2.gz OFBZCNHRENEBHZ-CQSZACIVSA-N -1 1 310.353 2.665 20 0 DFADMM Cc1cc(C(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)on1 ZINC000176962897 426428150 /nfs/dbraw/zinc/42/81/50/426428150.db2.gz AHBGNAVROCORNV-UHFFFAOYSA-N -1 1 317.736 2.529 20 0 DFADMM CCc1cc(NC(=O)c2cnc3n(C)[n-]cc-3c2=O)ccc1F ZINC000340765434 269009413 /nfs/dbraw/zinc/00/94/13/269009413.db2.gz XCBANMXAJHEHOX-UHFFFAOYSA-N -1 1 314.320 2.628 20 0 DFADMM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000340844351 269020837 /nfs/dbraw/zinc/02/08/37/269020837.db2.gz 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/nfs/dbraw/zinc/50/34/89/426503489.db2.gz FGCSHKULIWFIPN-CYBMUJFWSA-N -1 1 300.358 2.512 20 0 DFADMM CCOc1cc(C(=O)Nc2cnn(C)c2C)cc(Cl)c1[O-] ZINC000186861316 426600477 /nfs/dbraw/zinc/60/04/77/426600477.db2.gz WCNCHFUNVHJHAW-UHFFFAOYSA-N -1 1 309.753 2.739 20 0 DFADMM CCO[C@@H](CCNC(=O)C(=O)c1ccc([O-])cc1)C1CCCC1 ZINC000289194018 426601624 /nfs/dbraw/zinc/60/16/24/426601624.db2.gz LRYHUTAMTOGTBR-INIZCTEOSA-N -1 1 319.401 2.677 20 0 DFADMM Cc1cccc(F)c1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000186903652 426605508 /nfs/dbraw/zinc/60/55/08/426605508.db2.gz FHPVNMHKNRLWBE-UHFFFAOYSA-N -1 1 309.318 2.633 20 0 DFADMM COc1ccc(Cn2ccc(NC(=O)c3ccccc3[O-])n2)cc1 ZINC000186940728 426611752 /nfs/dbraw/zinc/61/17/52/426611752.db2.gz HXWYEVOZJWJVAP-UHFFFAOYSA-N -1 1 323.352 2.898 20 0 DFADMM C[C@H]1CCCC[C@@H]1OCCNC(=O)c1c(F)ccc([O-])c1F ZINC000280678664 426632238 /nfs/dbraw/zinc/63/22/38/426632238.db2.gz CEYYMTQDMIMTPU-GWCFXTLKSA-N -1 1 313.344 2.996 20 0 DFADMM O=c1nc([C@H]2CCCCN2Cc2c(F)cccc2Cl)[nH][n-]1 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CC(C)N(CCC(=O)[O-])C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000236762059 426684779 /nfs/dbraw/zinc/68/47/79/426684779.db2.gz OSOZZAJYSOJECW-UHFFFAOYSA-N -1 1 319.336 2.541 20 0 DFADMM O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ncccc1[O-] ZINC000273588834 426692439 /nfs/dbraw/zinc/69/24/39/426692439.db2.gz SATZAKZAFSGQPT-HIFRSBDPSA-N -1 1 316.332 2.576 20 0 DFADMM O=C(C(=O)N1CC[C@H](Cc2ccccc2)C1)c1ccc([O-])cc1 ZINC000280958040 426695261 /nfs/dbraw/zinc/69/52/61/426695261.db2.gz NBRGLMGUUUHORY-OAHLLOKOSA-N -1 1 309.365 2.666 20 0 DFADMM O=C(N[C@@H](CCO)c1ccco1)c1ccc2ccccc2c1[O-] ZINC000187841702 426698371 /nfs/dbraw/zinc/69/83/71/426698371.db2.gz VGZBBADMOFPGNJ-HNNXBMFYSA-N -1 1 311.337 2.992 20 0 DFADMM Cc1nnc([C@@H](C)NCc2cc(=O)oc3cc([O-])ccc23)s1 ZINC000273631359 426699939 /nfs/dbraw/zinc/69/99/39/426699939.db2.gz SFTAYIACRLLCHL-MRVPVSSYSA-N -1 1 317.370 2.509 20 0 DFADMM C[C@@H](c1cccs1)N(C)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000179435594 426789858 /nfs/dbraw/zinc/78/98/58/426789858.db2.gz 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/nfs/dbraw/zinc/75/60/11/426756011.db2.gz SQNVDXZFRGGFTE-UHFFFAOYSA-N -1 1 301.350 2.901 20 0 DFADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccnc2C)cc1C ZINC000266708661 426765496 /nfs/dbraw/zinc/76/54/96/426765496.db2.gz FEGZVNUWBMLJSR-UHFFFAOYSA-N -1 1 306.387 2.816 20 0 DFADMM Cc1nn(C)c(C)c1CCCNC(=O)c1ccc(Cl)cc1[O-] ZINC000180375658 426857280 /nfs/dbraw/zinc/85/72/80/426857280.db2.gz RFFHKKBAWZISPP-UHFFFAOYSA-N -1 1 321.808 2.759 20 0 DFADMM CCSCCC[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000282222356 426857523 /nfs/dbraw/zinc/85/75/23/426857523.db2.gz HJPZKKSMCJUNID-UHFFFAOYSA-N -1 1 313.366 2.525 20 0 DFADMM O=C(N[C@@H](c1ccccc1)c1cccnc1)c1ncccc1[O-] ZINC000189119030 426820435 /nfs/dbraw/zinc/82/04/35/426820435.db2.gz IDMSUZXUUIVVLR-INIZCTEOSA-N -1 1 305.337 2.702 20 0 DFADMM CC(C)c1nnc2ccc(NC(=O)c3ccc(O)cc3[O-])cn21 ZINC000189276288 426834520 /nfs/dbraw/zinc/83/45/20/426834520.db2.gz KQQSYOIXNVGGEB-UHFFFAOYSA-N -1 1 312.329 2.516 20 0 DFADMM O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)c1ccc(C(F)(F)F)cc1[O-] 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Cc1ccc(Cl)cc1NC(=O)CN1CCC(C)(C(=O)[O-])CC1 ZINC000316648681 426949058 /nfs/dbraw/zinc/94/90/58/426949058.db2.gz HFWKUCNVAUNZJQ-UHFFFAOYSA-N -1 1 324.808 2.774 20 0 DFADMM CCn1c2ccc(F)cc2nc1NC(=O)c1ccc(O)cc1[O-] ZINC000181461124 426950694 /nfs/dbraw/zinc/95/06/94/426950694.db2.gz PEOYESACZZMCIJ-UHFFFAOYSA-N -1 1 315.304 2.859 20 0 DFADMM CSc1cccc(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)c1 ZINC000337749817 426953331 /nfs/dbraw/zinc/95/33/31/426953331.db2.gz FKVNDRVNWYPIDP-UHFFFAOYSA-N -1 1 309.416 2.810 20 0 DFADMM O=S(=O)([N-]Cc1ccc(F)cc1F)c1cccc(F)c1F ZINC000337757041 426957333 /nfs/dbraw/zinc/95/73/33/426957333.db2.gz TYXPBMHPDXJKAJ-UHFFFAOYSA-N -1 1 319.279 2.722 20 0 DFADMM CCSc1cccc(F)c1[N-]C(=O)c1cc(OC)n(C)n1 ZINC000291697866 426957502 /nfs/dbraw/zinc/95/75/02/426957502.db2.gz NGVMAVIEVCZMAW-UHFFFAOYSA-N -1 1 309.366 2.932 20 0 DFADMM CCCc1cc([N-]S(=O)(=O)c2cccc(SC)c2)[nH]n1 ZINC000337787232 426969434 /nfs/dbraw/zinc/96/94/34/426969434.db2.gz XZSQFBSOPFJGQR-UHFFFAOYSA-N -1 1 311.432 2.885 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O=C(/C=C\c1ccc(Br)o1)[N-]O[C@H]1CCCCO1 ZINC000491353668 429351258 /nfs/dbraw/zinc/35/12/58/429351258.db2.gz YKOBULUDMCKRIO-HWPRWLFBSA-N -1 1 316.151 2.630 20 0 DFADMM Cc1cc(C)n([C@H]2CCCN(C(=O)c3cc(F)ccc3[O-])C2)n1 ZINC000365861497 429390742 /nfs/dbraw/zinc/39/07/42/429390742.db2.gz CUVWLRTZTQXZSD-AWEZNQCLSA-N -1 1 317.364 2.822 20 0 DFADMM CO[C@@H](CNC(=O)c1ncccc1[O-])c1ccc(Cl)cc1 ZINC000427237646 429440571 /nfs/dbraw/zinc/44/05/71/429440571.db2.gz QFNBGHZNLNMEFL-ZDUSSCGKSA-N -1 1 306.749 2.558 20 0 DFADMM Cc1cnc(C(=O)N2CCc3ccc(Cl)cc3C2)c([O-])c1 ZINC000427538301 429455827 /nfs/dbraw/zinc/45/58/27/429455827.db2.gz BEYNASJCIIAIOX-UHFFFAOYSA-N -1 1 302.761 2.948 20 0 DFADMM COc1ccccc1S(=O)(=O)[N-]c1nc2ccc(C)cc2[nH]1 ZINC000427646339 429462220 /nfs/dbraw/zinc/46/22/20/429462220.db2.gz HVYVBRLOEZDQGQ-UHFFFAOYSA-N -1 1 317.370 2.681 20 0 DFADMM C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)c1ncccc1[O-] ZINC000427759986 429469475 /nfs/dbraw/zinc/46/94/75/429469475.db2.gz CDSDMXZFLDNCBQ-SECBINFHSA-N -1 1 304.296 2.825 20 0 DFADMM COc1ccc(C)cc1CN[C@@H](C(=O)[O-])c1ccccc1OC ZINC000426771169 429416046 /nfs/dbraw/zinc/41/60/46/429416046.db2.gz ZIEUJNNXMMDZTD-QGZVFWFLSA-N -1 1 315.369 2.928 20 0 DFADMM CC(=O)Nc1ccc(CN[C@@H](CC(=O)[O-])c2ccc(C)o2)cc1 ZINC000426805012 429418247 /nfs/dbraw/zinc/41/82/47/429418247.db2.gz XZNHDAGYGWLYRM-HNNXBMFYSA-N -1 1 316.357 2.852 20 0 DFADMM COc1ccc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)c(OC)c1 ZINC000426829167 429418593 /nfs/dbraw/zinc/41/85/93/429418593.db2.gz NTKSAYFATKLDLH-MRXNPFEDSA-N -1 1 319.332 2.758 20 0 DFADMM Cc1cc(C(=O)[O-])c(NS(=O)(=O)c2ccsc2)cc1F ZINC000518580809 429427888 /nfs/dbraw/zinc/42/78/88/429427888.db2.gz RPIKDUPBIPUORJ-UHFFFAOYSA-N -1 1 315.347 2.695 20 0 DFADMM O=S(=O)([N-]C[C@@H]1CC12CCOCC2)c1cc2ccccc2o1 ZINC000518663148 429428279 /nfs/dbraw/zinc/42/82/79/429428279.db2.gz QTMTXTZMPBFBMA-ZDUSSCGKSA-N -1 1 321.398 2.528 20 0 DFADMM Cc1c(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cnn1C ZINC000427136106 429432244 /nfs/dbraw/zinc/43/22/44/429432244.db2.gz 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CSc1n[nH]c(NC(=O)C=Cc2cc(F)c(F)c(F)c2)n1 ZINC000493543812 429783165 /nfs/dbraw/zinc/78/31/65/429783165.db2.gz BJTMZZLWSYPBSZ-NSCUHMNNSA-N -1 1 314.292 2.596 20 0 DFADMM CSCCCC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451214541 429790104 /nfs/dbraw/zinc/79/01/04/429790104.db2.gz HZEDWZZMRZVRGW-UHFFFAOYSA-N -1 1 317.407 2.993 20 0 DFADMM CCCC[C@@H](COC)[N-]S(=O)(=O)c1sccc1Cl ZINC000451216152 429790345 /nfs/dbraw/zinc/79/03/45/429790345.db2.gz MJOIHDDKFIAVGB-VIFPVBQESA-N -1 1 311.856 2.885 20 0 DFADMM CCC1([N-]S(=O)(=O)c2sccc2Cl)CCOCC1 ZINC000451354439 429815736 /nfs/dbraw/zinc/81/57/36/429815736.db2.gz NICNNDOOYFNTKC-UHFFFAOYSA-N -1 1 309.840 2.639 20 0 DFADMM O=S(=O)([N-][C@H](CO)CC1CCCC1)c1sccc1Cl ZINC000451364717 429816291 /nfs/dbraw/zinc/81/62/91/429816291.db2.gz VYYAJRPWQFWQDS-JTQLQIEISA-N -1 1 323.867 2.621 20 0 DFADMM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2sccc2Cl)CCO1 ZINC000451371655 429818351 /nfs/dbraw/zinc/81/83/51/429818351.db2.gz DXPCKVNIWFMAFQ-MWLCHTKSSA-N -1 1 323.867 2.883 20 0 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430175163 /nfs/dbraw/zinc/17/51/63/430175163.db2.gz ATNICLBDNZAZIA-MUWHJKNJSA-N -1 1 323.443 2.592 20 0 DFADMM CO[C@H]1C[C@@H](N(C)Cc2nc(=O)c3sccc3[n-]2)C12CCC2 ZINC000562735277 430175254 /nfs/dbraw/zinc/17/52/54/430175254.db2.gz LSMXIAZQTXQPLR-NEPJUHHUSA-N -1 1 319.430 2.786 20 0 DFADMM CSc1nc(C)c(CCC(=O)NC2(C3(C)CC3)CC2)c(=O)[n-]1 ZINC000580624169 430139847 /nfs/dbraw/zinc/13/98/47/430139847.db2.gz PMSBQVXVFDVYGJ-UHFFFAOYSA-N -1 1 321.446 2.594 20 0 DFADMM O=C([O-])c1coc(CN2CC[C@@H](Cc3ccc(F)cc3)C2)n1 ZINC000580652433 430143173 /nfs/dbraw/zinc/14/31/73/430143173.db2.gz FOFPYZHAPCYPOD-LBPRGKRZSA-N -1 1 304.321 2.577 20 0 DFADMM Cc1cc(-c2nc(C(=O)[N-]c3n[nH]c(C4CCC4)n3)co2)ccn1 ZINC000562532214 430143383 /nfs/dbraw/zinc/14/33/83/430143383.db2.gz FORBRPYSIFKDNL-UHFFFAOYSA-N -1 1 324.344 2.683 20 0 DFADMM O=C([O-])[C@H]1CCCN(Cc2cc(F)ccc2OC(F)F)C1 ZINC000635021534 430200538 /nfs/dbraw/zinc/20/05/38/430200538.db2.gz DDIQVDGHATVANB-VIFPVBQESA-N -1 1 303.280 2.724 20 0 DFADMM C[C@@H](c1noc(-c2ccccc2)n1)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000581374890 430202626 /nfs/dbraw/zinc/20/26/26/430202626.db2.gz GXHRMLYUCQZUOB-BWACUDIHSA-N -1 1 315.373 2.840 20 0 DFADMM CC1(C)CN(Cc2oncc2C(=O)[O-])CC[C@@H]1C(F)(F)F ZINC000581375004 430202644 /nfs/dbraw/zinc/20/26/44/430202644.db2.gz KZPHCGKLQQURBP-JTQLQIEISA-N -1 1 306.284 2.783 20 0 DFADMM CC(C)(C)[C@H]1CCN(C(=O)c2c(F)ccc([O-])c2F)C[C@@H]1O ZINC000289498154 277257797 /nfs/dbraw/zinc/25/77/97/277257797.db2.gz SPOPPUALFVQXKH-CABZTGNLSA-N -1 1 313.344 2.540 20 0 DFADMM O=C(N[C@@H]1CCO[C@H](c2ccncc2)C1)c1c([O-])cccc1F ZINC000565523706 430214913 /nfs/dbraw/zinc/21/49/13/430214913.db2.gz DSVZEDNTGRFMET-DOMZBBRYSA-N -1 1 316.332 2.576 20 0 DFADMM CCN(Cc1cc(C(=O)[O-])nn1C)[C@H](C)c1cccc(OC)c1 ZINC000635299767 430247024 /nfs/dbraw/zinc/24/70/24/430247024.db2.gz XXSPPBAMADZKLM-GFCCVEGCSA-N -1 1 317.389 2.710 20 0 DFADMM Cn1nc(C(=O)[O-])cc1CN1CCC[C@H]1/C=C/c1ccccc1 ZINC000635309168 430251395 /nfs/dbraw/zinc/25/13/95/430251395.db2.gz UFNAROOOZBPDTG-FEAKQIBJSA-N -1 1 311.385 2.796 20 0 DFADMM Cc1c2cc(F)ccc2oc1CNCc1cc(C(=O)[O-])nn1C ZINC000635309409 430251693 /nfs/dbraw/zinc/25/16/93/430251693.db2.gz OVPRKLMIFVTACI-UHFFFAOYSA-N -1 1 317.320 2.602 20 0 DFADMM CN(Cc1oc(-c2ccccc2)nc1C(=O)[O-])C[C@@H]1CCCO1 ZINC000566360157 430253570 /nfs/dbraw/zinc/25/35/70/430253570.db2.gz RDQXFBPQXWQIJI-ZDUSSCGKSA-N -1 1 316.357 2.651 20 0 DFADMM O=c1[n-]c([C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)n[nH]1 ZINC000581984402 430256264 /nfs/dbraw/zinc/25/62/64/430256264.db2.gz DEGDLSMSDCGFHG-LBPRGKRZSA-N -1 1 306.797 2.586 20 0 DFADMM O=C(CCCc1nn[n-]n1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000635383791 430264068 /nfs/dbraw/zinc/26/40/68/430264068.db2.gz ZUKZOKNCQLKHEB-KRWDZBQOSA-N -1 1 313.405 2.570 20 0 DFADMM CCC(CC)[C@H](NC(=O)CCCc1nn[n-]n1)c1cccs1 ZINC000635406895 430271037 /nfs/dbraw/zinc/27/10/37/430271037.db2.gz NROLMKQGRPEZTK-HNNXBMFYSA-N -1 1 321.450 2.878 20 0 DFADMM CCCN(C(=O)CCCc1nn[n-]n1)[C@H](CC)c1ccccc1 ZINC000635448119 430280909 /nfs/dbraw/zinc/28/09/09/430280909.db2.gz WUUAZHIPUBDWFB-OAHLLOKOSA-N -1 1 315.421 2.912 20 0 DFADMM CSc1nc(CNC(=O)[C@H]2CCC(C)=C(C)C2)cc(=O)[n-]1 ZINC000640654870 430227427 /nfs/dbraw/zinc/22/74/27/430227427.db2.gz CKUCOHSXQFEDML-NSHDSACASA-N -1 1 307.419 2.657 20 0 DFADMM CSc1nc(CNC(=O)C[C@H]2CCCC[C@@H]2C)cc(=O)[n-]1 ZINC000640658511 430228714 /nfs/dbraw/zinc/22/87/14/430228714.db2.gz OLJQKHAXKMJSFV-WDEREUQCSA-N -1 1 309.435 2.737 20 0 DFADMM Cn1ncc(C(=O)Nc2ccc([O-])c(Cl)c2)c1C(F)F ZINC000542816852 430229328 /nfs/dbraw/zinc/22/93/28/430229328.db2.gz LRZOBCQIBFYGJG-UHFFFAOYSA-N -1 1 301.680 2.969 20 0 DFADMM C[C@@H](c1ccc(C(=O)[O-])o1)[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000566073646 430238946 /nfs/dbraw/zinc/23/89/46/430238946.db2.gz HQRBCLIOSHDUNE-RYUDHWBXSA-N -1 1 317.341 2.811 20 0 DFADMM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)C[C@H]1COc2ccccc2O1 ZINC000566073646 430238949 /nfs/dbraw/zinc/23/89/49/430238949.db2.gz HQRBCLIOSHDUNE-RYUDHWBXSA-N -1 1 317.341 2.811 20 0 DFADMM CCCN(CCc1cccc(F)c1)Cc1nc(C(=O)[O-])co1 ZINC000581829690 430241326 /nfs/dbraw/zinc/24/13/26/430241326.db2.gz GSVRDUAPTHSUPJ-UHFFFAOYSA-N -1 1 306.337 2.967 20 0 DFADMM CC1(C)SC[C@@H]1[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000568356740 430350214 /nfs/dbraw/zinc/35/02/14/430350214.db2.gz TYGNEOKSLPEXHX-NSHDSACASA-N -1 1 315.391 2.744 20 0 DFADMM C[C@@H](NC(=O)CCCc1nn[n-]n1)c1cc2ccccc2s1 ZINC000635536468 430301267 /nfs/dbraw/zinc/30/12/67/430301267.db2.gz UOABDFWSGBJUPO-SNVBAGLBSA-N -1 1 315.402 2.615 20 0 DFADMM COCCN(CCOc1cccc(C(=O)[O-])c1)Cc1ccco1 ZINC000568061029 430311241 /nfs/dbraw/zinc/31/12/41/430311241.db2.gz XJQWJLMNRJMZQU-UHFFFAOYSA-N -1 1 319.357 2.505 20 0 DFADMM COC(=O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000545277059 430312126 /nfs/dbraw/zinc/31/21/26/430312126.db2.gz WNZZYGKXKZWBLP-QWRGUYRKSA-N -1 1 311.765 2.964 20 0 DFADMM CC(C)c1nc(CN(Cc2ccccc2)C[C@H](C)C(=O)[O-])n[nH]1 ZINC000568065681 430312507 /nfs/dbraw/zinc/31/25/07/430312507.db2.gz CMWKQTGZURLUAF-ZDUSSCGKSA-N -1 1 316.405 2.651 20 0 DFADMM CC(C)c1nc(CN(Cc2ccccc2)C[C@@H](C)C(=O)[O-])n[nH]1 ZINC000568065680 430313706 /nfs/dbraw/zinc/31/37/06/430313706.db2.gz CMWKQTGZURLUAF-CYBMUJFWSA-N -1 1 316.405 2.651 20 0 DFADMM C[C@H]1CCN(CC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC000568202687 430331041 /nfs/dbraw/zinc/33/10/41/430331041.db2.gz SXEVMJRIILAEKT-QMMMGPOBSA-N -1 1 303.189 2.979 20 0 DFADMM CCc1oc(C(=O)[O-])cc1CN1CCC(c2nc(C)no2)CC1 ZINC000582791242 430333925 /nfs/dbraw/zinc/33/39/25/430333925.db2.gz RWFDHQAQAHYSFA-UHFFFAOYSA-N -1 1 319.361 2.611 20 0 DFADMM CCc1nc(S[C@H](C)C(=O)C2CCOCC2)[n-]c(=O)c1C ZINC000568272359 430341563 /nfs/dbraw/zinc/34/15/63/430341563.db2.gz USSXGDGIKQMSLJ-SNVBAGLBSA-N -1 1 310.419 2.529 20 0 DFADMM Cc1sc(NC(=O)CN2CC[C@H](C)[C@H](C(=O)[O-])C2)c(C)c1C ZINC000583630458 430413395 /nfs/dbraw/zinc/41/33/95/430413395.db2.gz CZDWEBDOKBHNSF-TVQRCGJNSA-N -1 1 324.446 2.654 20 0 DFADMM CC(C)c1nnc([N-][C@H](c2nccn2C)c2ccc(F)cc2)o1 ZINC000583244395 430377267 /nfs/dbraw/zinc/37/72/67/430377267.db2.gz NCTGZBUHAYMUSU-ZDUSSCGKSA-N -1 1 315.352 3.267 20 0 DFADMM O=S(=O)([N-][C@@H]1CCO[C@@H](C2CC2)C1)c1cc2ccccc2o1 ZINC000547322697 430384822 /nfs/dbraw/zinc/38/48/22/430384822.db2.gz FXIQLTKQMKRGNF-UKRRQHHQSA-N -1 1 321.398 2.669 20 0 DFADMM COc1ccc(Cl)c([N-]S(=O)(=O)C[C@@H](OC)C2CC2)c1 ZINC000568750138 430388365 /nfs/dbraw/zinc/38/83/65/430388365.db2.gz WMSZUUWKZSZSJT-CYBMUJFWSA-N -1 1 319.810 2.515 20 0 DFADMM CC(C)(C)[C@H]1CCC[C@H](NC(=O)CCCc2nn[n-]n2)CC1 ZINC000635831265 430388780 /nfs/dbraw/zinc/38/87/80/430388780.db2.gz GLBKWPJPZCHPLH-STQMWFEESA-N -1 1 307.442 2.634 20 0 DFADMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CO1 ZINC000583378601 430390062 /nfs/dbraw/zinc/39/00/62/430390062.db2.gz AMHVJUMECKCSAD-PHDIDXHHSA-N -1 1 316.231 2.511 20 0 DFADMM O=C(CCCc1nn[n-]n1)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000635852880 430394657 /nfs/dbraw/zinc/39/46/57/430394657.db2.gz 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/nfs/dbraw/zinc/44/56/72/430445672.db2.gz XHNYTAWDAIRXHF-JTQLQIEISA-N -1 1 305.765 2.564 20 0 DFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H]1C[C@H]1C1CCC1 ZINC000583989949 430448122 /nfs/dbraw/zinc/44/81/22/430448122.db2.gz XFABIAFWMQPBOK-STQMWFEESA-N -1 1 317.433 2.954 20 0 DFADMM Cc1cc(=O)[nH]c(C(C)(C)NC(=O)c2ccc(Cl)cc2[O-])n1 ZINC000636115456 430466189 /nfs/dbraw/zinc/46/61/89/430466189.db2.gz ZCZWEEZJRHGFFV-UHFFFAOYSA-N -1 1 321.764 2.515 20 0 DFADMM CC(C)c1cccc(NC(=O)CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000569575781 430466282 /nfs/dbraw/zinc/46/62/82/430466282.db2.gz RKSDQNZDIXFLNI-CJNGLKHVSA-N -1 1 318.417 2.791 20 0 DFADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H](n2ccnn2)CC1 ZINC000636188219 430481916 /nfs/dbraw/zinc/48/19/16/430481916.db2.gz GVIXILJBAADRDM-GFCCVEGCSA-N -1 1 320.780 2.505 20 0 DFADMM O=C([O-])C[C@@H]1CCCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000641796235 430477102 /nfs/dbraw/zinc/47/71/02/430477102.db2.gz SNFBDTLVICNDBA-CYBMUJFWSA-N -1 1 315.373 2.813 20 0 DFADMM CCCCN(C(=O)CCCc1nn[n-]n1)[C@@H]1CCC[C@H](C)C1 ZINC000635968226 430424430 /nfs/dbraw/zinc/42/44/30/430424430.db2.gz VUICULVJAANUDA-UONOGXRCSA-N -1 1 307.442 2.730 20 0 DFADMM Cc1cccc(-c2noc(CN(C[C@H](C)C(=O)[O-])C3CC3)n2)c1 ZINC000569130834 430427380 /nfs/dbraw/zinc/42/73/80/430427380.db2.gz YUWYLJVZYXUSFR-LBPRGKRZSA-N -1 1 315.373 2.730 20 0 DFADMM COc1c(C)cnc(C[N@@H+](C2CC2)C2(C(=O)[O-])CCC2)c1C ZINC000569824546 430490703 /nfs/dbraw/zinc/49/07/03/430490703.db2.gz CANFKQOVUJBFHK-UHFFFAOYSA-N -1 1 304.390 2.679 20 0 DFADMM CCc1ccc(-c2noc(CN3CCC[C@H]3CC(=O)[O-])n2)cc1 ZINC000569856864 430491411 /nfs/dbraw/zinc/49/14/11/430491411.db2.gz KKFQOQZBCDNAPM-AWEZNQCLSA-N -1 1 315.373 2.738 20 0 DFADMM CCCC(=O)NC1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000642589935 430521085 /nfs/dbraw/zinc/52/10/85/430521085.db2.gz LVMVBCLBMHLITB-UHFFFAOYSA-N -1 1 324.808 2.567 20 0 DFADMM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1c(F)cccc1F ZINC000636352362 430522578 /nfs/dbraw/zinc/52/25/78/430522578.db2.gz 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Cc1cccc(C)c1NC(=O)[C@H](C)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000647368443 431567941 /nfs/dbraw/zinc/56/79/41/431567941.db2.gz ANQIEOSYQORSKA-BYCMXARLSA-N -1 1 318.417 2.673 20 0 DFADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCOCC12CCC2 ZINC000182073030 280181937 /nfs/dbraw/zinc/18/19/37/280181937.db2.gz ORGZSFJDOYCXGR-UHFFFAOYSA-N -1 1 315.291 2.806 20 0 DFADMM Cc1cccc(NC(=O)[C@@H](C)N2CCC(C)(C(=O)[O-])CC2)c1C ZINC000647376922 431572090 /nfs/dbraw/zinc/57/20/90/431572090.db2.gz DOLQUGPUSULZNU-CQSZACIVSA-N -1 1 318.417 2.817 20 0 DFADMM Cc1cc(C)cc(NC(=O)[C@@H](C)N2CCC(C)(C(=O)[O-])CC2)c1 ZINC000647377044 431573629 /nfs/dbraw/zinc/57/36/29/431573629.db2.gz LPFGZFXVTZNBDR-CQSZACIVSA-N -1 1 318.417 2.817 20 0 DFADMM C[C@H]1CCC[C@]1(O)CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000647474610 431598849 /nfs/dbraw/zinc/59/88/49/431598849.db2.gz RWYHCDXAEQRGGV-XPTSAGLGSA-N -1 1 317.307 2.692 20 0 DFADMM O=C(N[C@@H](C1CC1)C1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000650469186 431578122 /nfs/dbraw/zinc/57/81/22/431578122.db2.gz ANVHQJKSWNEBOF-HNNXBMFYSA-N -1 1 309.793 2.981 20 0 DFADMM O=C([O-])c1cnc(N2CCN(C3CCCCC3)CC2)c(Cl)c1 ZINC000647447143 431584558 /nfs/dbraw/zinc/58/45/58/431584558.db2.gz MYKGTGSDEJLIKM-UHFFFAOYSA-N -1 1 323.824 2.888 20 0 DFADMM CCc1ccncc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000650492557 431589446 /nfs/dbraw/zinc/58/94/46/431589446.db2.gz QCQDHNKZJXFEHC-UHFFFAOYSA-N -1 1 318.398 2.770 20 0 DFADMM Cc1cnc(C(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)c([O-])c1 ZINC000654096620 431650556 /nfs/dbraw/zinc/65/05/56/431650556.db2.gz SKJDKZKLMPHSMU-DGCLKSJQSA-N -1 1 318.398 2.807 20 0 DFADMM C[C@]1(C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1(F)F ZINC000657157016 431612659 /nfs/dbraw/zinc/61/26/59/431612659.db2.gz RPRZDFLBUVHFOH-MRVPVSSYSA-N -1 1 301.767 2.725 20 0 DFADMM CC(C)(C)n1ncc(C(=O)[O-])c1-c1cc(C(F)(F)F)n[nH]1 ZINC000657203444 431624824 /nfs/dbraw/zinc/62/48/24/431624824.db2.gz YMGQBQVMYUXDMG-UHFFFAOYSA-N -1 1 302.256 2.745 20 0 DFADMM O=C(c1ccc([O-])c(F)c1)N1Cc2cnn(-c3ccccc3)c2C1 ZINC000647587952 431632141 /nfs/dbraw/zinc/63/21/41/431632141.db2.gz RCKXCAOCNKITLQ-UHFFFAOYSA-N -1 1 323.327 2.873 20 0 DFADMM Cc1cnc(SCC(=O)N(CC(C)C)CC(C)C)[n-]c1=O ZINC000657261250 431642810 /nfs/dbraw/zinc/64/28/10/431642810.db2.gz ACVIRSJZNGAWTP-UHFFFAOYSA-N -1 1 311.451 2.723 20 0 DFADMM CC(C)Cn1nccc1CN[C@H](C(=O)[O-])c1cccc(F)c1 ZINC000647646034 431644388 /nfs/dbraw/zinc/64/43/88/431644388.db2.gz SUYCINHOVYCYDK-HNNXBMFYSA-N -1 1 305.353 2.594 20 0 DFADMM CC(C)Cn1nccc1CN[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000647646196 431644420 /nfs/dbraw/zinc/64/44/20/431644420.db2.gz XSFMRGIDULPIGR-INIZCTEOSA-N -1 1 319.380 2.984 20 0 DFADMM CCCN(CC)c1ccc(C(=O)Nc2c(C)[n-][nH]c2=O)cc1 ZINC000647815850 431699176 /nfs/dbraw/zinc/69/91/76/431699176.db2.gz OKHDUTINMHERBD-UHFFFAOYSA-N -1 1 302.378 2.912 20 0 DFADMM O=C(c1ccc([O-])c(F)c1)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000650796759 431702750 /nfs/dbraw/zinc/70/27/50/431702750.db2.gz RGUAVQOIERNPTM-NWANDNLSSA-N -1 1 307.365 2.687 20 0 DFADMM C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1cncc([O-])c1 ZINC000375040120 288394656 /nfs/dbraw/zinc/39/46/56/288394656.db2.gz FDHYXQLSHKVFRP-XNJGSVPQSA-N -1 1 312.369 2.778 20 0 DFADMM CCO[C@@H]1C[C@H](N(C)C(=O)c2ncccc2[O-])C12CCCCC2 ZINC000153891299 289064566 /nfs/dbraw/zinc/06/45/66/289064566.db2.gz NSVBLFBSBDWAAJ-LSDHHAIUSA-N -1 1 318.417 2.987 20 0 DFADMM COC(=O)c1ccc([O-])c(NC(=O)c2c(F)cccc2F)c1 ZINC000436502278 297007256 /nfs/dbraw/zinc/00/72/56/297007256.db2.gz BUZKCIBBFBXPBY-UHFFFAOYSA-N -1 1 307.252 2.709 20 0 DFADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCc3ccccc32)c1 ZINC000436505243 297007674 /nfs/dbraw/zinc/00/76/74/297007674.db2.gz MZFXPTFVOVZZNP-CQSZACIVSA-N -1 1 311.337 2.847 20 0 DFADMM O=C(NC1(C(F)F)CC1)c1ccc(Br)cc1[O-] ZINC000436513005 297007804 /nfs/dbraw/zinc/00/78/04/297007804.db2.gz LTGVGJACBMUNRU-UHFFFAOYSA-N -1 1 306.106 2.682 20 0 DFADMM O=C(NCCOc1ccccc1Cl)c1cc(F)ccc1[O-] ZINC000436516659 297008401 /nfs/dbraw/zinc/00/84/01/297008401.db2.gz UYRUEIVLJFIKTG-UHFFFAOYSA-N -1 1 309.724 2.994 20 0 DFADMM CCCN(C(=O)c1ccc([O-])cc1F)[C@H](CC)C(=O)OCC ZINC000436521783 297009089 /nfs/dbraw/zinc/00/90/89/297009089.db2.gz HMAZTAVFIDDOAY-CQSZACIVSA-N -1 1 311.353 2.725 20 0 DFADMM CCOC(=O)CN(CC(C)C)C(=O)c1ccc(Cl)cc1[O-] ZINC000436533201 297010238 /nfs/dbraw/zinc/01/02/38/297010238.db2.gz MKFHDDJRGLNBIG-UHFFFAOYSA-N -1 1 313.781 2.707 20 0 DFADMM Cc1cccn2cc(CNC(=O)c3cc(Cl)ccc3[O-])nc12 ZINC000436556387 297012241 /nfs/dbraw/zinc/01/22/41/297012241.db2.gz OBEZDZCMYZMQHU-UHFFFAOYSA-N -1 1 315.760 2.932 20 0 DFADMM COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1cc(F)ccc1[O-] ZINC000436586286 297015310 /nfs/dbraw/zinc/01/53/10/297015310.db2.gz BEAWSIKRYQVRCX-SJLPKXTDSA-N -1 1 315.344 3.000 20 0 DFADMM C[C@@H](CNC(=O)c1cc(F)ccc1[O-])Oc1cccc(F)c1 ZINC000436591941 297016135 /nfs/dbraw/zinc/01/61/35/297016135.db2.gz RXFNSCLYWSMEJZ-JTQLQIEISA-N -1 1 307.296 2.868 20 0 DFADMM COC(=O)[C@H](CNC(=O)c1cc(Cl)ccc1[O-])CC(C)C ZINC000436592260 297016441 /nfs/dbraw/zinc/01/64/41/297016441.db2.gz SOVCADBFSVZFLP-JTQLQIEISA-N -1 1 313.781 2.611 20 0 DFADMM CNC(=O)Nc1cc(NC(=O)c2ccccc2[O-])ccc1F ZINC000436600922 297017108 /nfs/dbraw/zinc/01/71/08/297017108.db2.gz HHRJGCLJPPLRNE-UHFFFAOYSA-N -1 1 303.293 2.535 20 0 DFADMM O=C(NCc1cnn2ccccc12)c1cc(Cl)ccc1[O-] ZINC000436613515 297018122 /nfs/dbraw/zinc/01/81/22/297018122.db2.gz VXQIKHLHFWYBMG-UHFFFAOYSA-N -1 1 301.733 2.623 20 0 DFADMM C[C@H]1CSC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436621737 297018706 /nfs/dbraw/zinc/01/87/06/297018706.db2.gz AYNVPUHCPNXSEX-OIBJUYFYSA-N -1 1 305.321 2.892 20 0 DFADMM O=C(N[C@H]1C[C@H](c2ccccc2F)C1)C(=O)c1ccc([O-])cc1 ZINC000436632742 297019509 /nfs/dbraw/zinc/01/95/09/297019509.db2.gz FUYSWYYCNGFXKD-JOCQHMNTSA-N -1 1 313.328 2.776 20 0 DFADMM CN(Cc1ccccc1Cl)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436667391 297023175 /nfs/dbraw/zinc/02/31/75/297023175.db2.gz UDSHNMIKDGHBHS-UHFFFAOYSA-N -1 1 303.745 2.887 20 0 DFADMM COc1nc2ccc(NC(=O)c3ccc(O)cc3[O-])cc2s1 ZINC000436664492 297023294 /nfs/dbraw/zinc/02/32/94/297023294.db2.gz LRRWDIQJTBNNIX-UHFFFAOYSA-N -1 1 316.338 2.968 20 0 DFADMM O=C(C(=O)N(Cc1ccccc1)CC(F)F)c1ccc([O-])cc1 ZINC000436704418 297026417 /nfs/dbraw/zinc/02/64/17/297026417.db2.gz OWARBOFZPGOFMA-UHFFFAOYSA-N -1 1 319.307 2.869 20 0 DFADMM Cc1noc([C@@H]2CCCN2C(=O)c2cc(Cl)ccc2[O-])n1 ZINC000436717059 297027775 /nfs/dbraw/zinc/02/77/75/297027775.db2.gz VVCXHYKDLOBWFI-NSHDSACASA-N -1 1 307.737 2.714 20 0 DFADMM C[C@H]1CCC[C@@]1(O)CNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436720046 297028446 /nfs/dbraw/zinc/02/84/46/297028446.db2.gz CECMYJAJMXCANE-LKFCYVNXSA-N -1 1 317.307 2.692 20 0 DFADMM CC(C)[C@H]1CN(C(=O)c2cc3c(cc2O)CCCC3)CC[N@H+]1C ZINC000436727798 297028798 /nfs/dbraw/zinc/02/87/98/297028798.db2.gz CNEJJSGBTSULHX-QGZVFWFLSA-N -1 1 316.445 2.683 20 0 DFADMM C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1ccon1 ZINC000436763909 297032297 /nfs/dbraw/zinc/03/22/97/297032297.db2.gz NFWQSYPYQBYSNZ-SSDOTTSWSA-N -1 1 300.236 2.890 20 0 DFADMM C[C@@H]1C[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2[O-])CCO1 ZINC000436767576 297032873 /nfs/dbraw/zinc/03/28/73/297032873.db2.gz CHGGTIOIVPQIBF-NXEZZACHSA-N -1 1 317.307 2.956 20 0 DFADMM COCC(C)(C)N(C)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436767981 297032904 /nfs/dbraw/zinc/03/29/04/297032904.db2.gz HUEZAZPWVXYNGH-UHFFFAOYSA-N -1 1 301.770 2.551 20 0 DFADMM Cc1ocnc1CNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436765355 297033041 /nfs/dbraw/zinc/03/30/41/297033041.db2.gz XEEFHTLLIGHOKA-UHFFFAOYSA-N -1 1 300.236 2.637 20 0 DFADMM COC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc([O-])cc1F ZINC000436823541 297037516 /nfs/dbraw/zinc/03/75/16/297037516.db2.gz VNAKDANUUVWURW-HNNXBMFYSA-N -1 1 323.364 2.773 20 0 DFADMM COCCN(C(=O)c1cc(F)ccc1[O-])[C@@H]1CCCSC1 ZINC000436806453 297035703 /nfs/dbraw/zinc/03/57/03/297035703.db2.gz GAPNJUZQVJOZHD-GFCCVEGCSA-N -1 1 313.394 2.516 20 0 DFADMM O=C(Nc1cccc(N2CCC2=O)c1)c1ccc([O-])cc1F ZINC000436806256 297035747 /nfs/dbraw/zinc/03/57/47/297035747.db2.gz HYLDJMNGAGKGKI-UHFFFAOYSA-N -1 1 300.289 2.520 20 0 DFADMM Cn1ncc(NC(=O)c2ccc(O)cc2[O-])c1-c1ccccc1 ZINC000436811912 297036184 /nfs/dbraw/zinc/03/61/84/297036184.db2.gz WFXZQAWMVBTXHY-UHFFFAOYSA-N -1 1 309.325 2.751 20 0 DFADMM COc1cc2c(cc1F)CN(C(=O)c1cc(F)ccc1[O-])CC2 ZINC000436813778 297036594 /nfs/dbraw/zinc/03/65/94/297036594.db2.gz GBXZQAIKBUIWNR-UHFFFAOYSA-N -1 1 319.307 2.878 20 0 DFADMM O=C(NCc1nc(-c2ccccc2)no1)c1ccc([O-])cc1F ZINC000436828117 297037926 /nfs/dbraw/zinc/03/79/26/297037926.db2.gz WTWQFIACZSLAKQ-UHFFFAOYSA-N -1 1 313.288 2.511 20 0 DFADMM CCN1C[C@@H](C)N(C(=O)c2cc(F)cc(Cl)c2[O-])C[C@H]1C ZINC000436836192 297038772 /nfs/dbraw/zinc/03/87/72/297038772.db2.gz GNOZGXIOTGQEGZ-NXEZZACHSA-N -1 1 314.788 2.739 20 0 DFADMM COC(=O)[C@@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])[C@H]1C ZINC000436859269 297040407 /nfs/dbraw/zinc/04/04/07/297040407.db2.gz AHDPUKGDKJBTBJ-WCQYABFASA-N -1 1 313.353 2.569 20 0 DFADMM CCN(Cc1cccc(F)c1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436861943 297040650 /nfs/dbraw/zinc/04/06/50/297040650.db2.gz MHDUIJSPFJMEJH-UHFFFAOYSA-N -1 1 301.317 2.763 20 0 DFADMM CC(=O)NC1CCC(N(C)C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000436864575 297041068 /nfs/dbraw/zinc/04/10/68/297041068.db2.gz OCAORODOXDFBHF-UHFFFAOYSA-N -1 1 324.808 2.565 20 0 DFADMM CN(CCc1ccc(Cl)cc1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436890298 297042655 /nfs/dbraw/zinc/04/26/55/297042655.db2.gz YNRHNCQWIYVGAZ-UHFFFAOYSA-N -1 1 317.772 2.929 20 0 DFADMM O=C(Nc1nc2ccsc2s1)C(=O)c1ccc([O-])cc1 ZINC000436896513 297042941 /nfs/dbraw/zinc/04/29/41/297042941.db2.gz NDXWXZXRIJQDAB-UHFFFAOYSA-N -1 1 304.352 2.885 20 0 DFADMM CCOC(=O)C[C@@](C)(NC(=O)c1c([O-])cccc1F)C(C)C ZINC000436897620 297043137 /nfs/dbraw/zinc/04/31/37/297043137.db2.gz SIFGFWJDFSKJKX-MRXNPFEDSA-N -1 1 311.353 2.629 20 0 DFADMM O=C(NCc1noc(C2CC2)n1)c1ccc2ccccc2c1[O-] ZINC000436914817 297044518 /nfs/dbraw/zinc/04/45/18/297044518.db2.gz LIIIJFRPAZXFNH-UHFFFAOYSA-N -1 1 309.325 2.736 20 0 DFADMM CS[C@@H](C)C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436920449 297044852 /nfs/dbraw/zinc/04/48/52/297044852.db2.gz RTWDYFACPOHGBI-LURJTMIESA-N -1 1 312.782 2.521 20 0 DFADMM CS[C@@H](C)C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436920449 297044853 /nfs/dbraw/zinc/04/48/53/297044853.db2.gz RTWDYFACPOHGBI-LURJTMIESA-N -1 1 312.782 2.521 20 0 DFADMM Cc1ccc(CC[C@H](C)NC(=O)C(=O)c2ccc([O-])cc2)o1 ZINC000436921980 297044970 /nfs/dbraw/zinc/04/49/70/297044970.db2.gz LMHNPRNIAAHKOB-NSHDSACASA-N -1 1 301.342 2.614 20 0 DFADMM Cc1ccc(CN(CCO)C(=O)c2cc(Cl)ccc2[O-])o1 ZINC000436925599 297045615 /nfs/dbraw/zinc/04/56/15/297045615.db2.gz CITFXMTZHGZFKU-UHFFFAOYSA-N -1 1 309.749 2.582 20 0 DFADMM CN(CCCC(=O)OC(C)(C)C)C(=O)c1c([O-])cccc1F ZINC000436944243 297046718 /nfs/dbraw/zinc/04/67/18/297046718.db2.gz IYDSFTKMNPKHKS-UHFFFAOYSA-N -1 1 311.353 2.725 20 0 DFADMM O=C(NCCCN1CCc2ccccc21)c1c([O-])cccc1F ZINC000436949820 297047108 /nfs/dbraw/zinc/04/71/08/297047108.db2.gz ZPZNANMOGSFABC-UHFFFAOYSA-N -1 1 314.360 2.714 20 0 DFADMM CCN1C[C@H](C)N(C(=O)c2cc(F)c([O-])c(Cl)c2)C[C@@H]1C ZINC000436978423 297049225 /nfs/dbraw/zinc/04/92/25/297049225.db2.gz HPVVVOBSGDIRPT-UWVGGRQHSA-N -1 1 314.788 2.739 20 0 DFADMM CC(C)OC(=O)CC[C@H](C)NC(=O)c1cc(Cl)ccc1[O-] ZINC000437000130 297051881 /nfs/dbraw/zinc/05/18/81/297051881.db2.gz LWDGXOBCRXVXIX-JTQLQIEISA-N -1 1 313.781 2.896 20 0 DFADMM CCC1(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)CCC1 ZINC000437313076 297059393 /nfs/dbraw/zinc/05/93/93/297059393.db2.gz CTTJTIQHQGDVRJ-UHFFFAOYSA-N -1 1 307.337 2.963 20 0 DFADMM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)c1ncccc1[O-] ZINC000437362269 297060787 /nfs/dbraw/zinc/06/07/87/297060787.db2.gz DCMMITRIARIPNF-JOYOIKCWSA-N -1 1 306.724 2.866 20 0 DFADMM COc1ccc(C(=O)Nc2ccc(-c3n[nH]c(C)n3)cc2)c([O-])c1 ZINC000155346971 295317337 /nfs/dbraw/zinc/31/73/37/295317337.db2.gz ZUXQDINMBJEYAV-UHFFFAOYSA-N -1 1 324.340 2.747 20 0 DFADMM COCCNc1ccccc1CNC(=O)c1cc(F)ccc1[O-] ZINC000155394025 295318257 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CCN1CCc2nc(NC(=O)c3ccc([O-])c(F)c3)sc2C1 ZINC000681016416 545582605 /nfs/dbraw/zinc/58/26/05/545582605.db2.gz VTXHSQZTKXFCHQ-UHFFFAOYSA-N -1 1 321.377 2.618 20 0 DFADMM CCCOc1ncccc1CNC(=O)c1ccc([O-])c(F)c1 ZINC000681022447 545583905 /nfs/dbraw/zinc/58/39/05/545583905.db2.gz IDXMTASDPXERIE-UHFFFAOYSA-N -1 1 304.321 2.645 20 0 DFADMM O=C(c1ccc([O-])c(F)c1)N1CCC(c2ccccn2)CC1 ZINC000681058309 545590477 /nfs/dbraw/zinc/59/04/77/545590477.db2.gz LPQBBXPECKFFTK-UHFFFAOYSA-N -1 1 300.333 2.946 20 0 DFADMM O=C(c1ccc([O-])c(F)c1)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000681039623 545586945 /nfs/dbraw/zinc/58/69/45/545586945.db2.gz NLSHKQZSDUWFPT-INIZCTEOSA-N -1 1 319.307 2.884 20 0 DFADMM Cc1cnn([C@@H]2CCCN(C(=O)c3ccc([O-])c(F)c3)C2)c1 ZINC000681041723 545587198 /nfs/dbraw/zinc/58/71/98/545587198.db2.gz FGEVGCKPJSPBHB-CYBMUJFWSA-N -1 1 303.337 2.514 20 0 DFADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@@H](Nc2ccccc2)C1 ZINC000681040573 545587527 /nfs/dbraw/zinc/58/75/27/545587527.db2.gz AKVZTTKVLLHRQW-CQSZACIVSA-N -1 1 300.333 2.858 20 0 DFADMM Cc1ccc([C@@H]2COCCN2C(=O)c2ccc([O-])c(F)c2)o1 ZINC000681046920 545587828 /nfs/dbraw/zinc/58/78/28/545587828.db2.gz GPALFODFXXLNNB-ZDUSSCGKSA-N -1 1 305.305 2.646 20 0 DFADMM CCCOc1ccc(CNC(=O)c2ccc([O-])c(F)c2)cn1 ZINC000681044553 545588147 /nfs/dbraw/zinc/58/81/47/545588147.db2.gz MBTLCUSZFVBSQI-UHFFFAOYSA-N -1 1 304.321 2.645 20 0 DFADMM COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000681049722 545588758 /nfs/dbraw/zinc/58/87/58/545588758.db2.gz QZGCTHXZPFEOFM-WMZOPIPTSA-N -1 1 315.344 3.000 20 0 DFADMM CC[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1c(C)nn(C)c1C ZINC000681050510 545588930 /nfs/dbraw/zinc/58/89/30/545588930.db2.gz YZWBCUHRCPDIHW-CYBMUJFWSA-N -1 1 305.353 2.763 20 0 DFADMM COc1ccc(O[C@@H](C)CNC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000681049342 545589157 /nfs/dbraw/zinc/58/91/57/545589157.db2.gz ACRNMPZCLQXXPJ-NSHDSACASA-N -1 1 319.332 2.737 20 0 DFADMM O=C(NCCOc1ccccc1Cl)c1ccc([O-])c(F)c1 ZINC000681058637 545591158 /nfs/dbraw/zinc/59/11/58/545591158.db2.gz QWQBPAFBVPGQFQ-UHFFFAOYSA-N -1 1 309.724 2.994 20 0 DFADMM O=C(c1ccc([O-])c(F)c1)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000681089510 545594671 /nfs/dbraw/zinc/59/46/71/545594671.db2.gz LIJUEWWJXMAVBX-AWEZNQCLSA-N -1 1 319.332 2.946 20 0 DFADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@]2(C1)OCc1ccccc12 ZINC000681200434 545609513 /nfs/dbraw/zinc/60/95/13/545609513.db2.gz GYCUMHKNSZLFKQ-GOSISDBHSA-N -1 1 313.328 2.803 20 0 DFADMM O=C([N-]c1nnc(Cc2ccc(F)cc2)s1)c1nccs1 ZINC000683547470 546058598 /nfs/dbraw/zinc/05/85/98/546058598.db2.gz TYPVPABTJUVWFI-UHFFFAOYSA-N -1 1 320.374 2.977 20 0 DFADMM C[C@H](c1ccc(F)cc1)S(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000683688151 546076306 /nfs/dbraw/zinc/07/63/06/546076306.db2.gz BDWUFGYDHRHQAP-SECBINFHSA-N -1 1 311.382 2.776 20 0 DFADMM C[C@H](c1ccc(F)cc1)S(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000683688151 546076311 /nfs/dbraw/zinc/07/63/11/546076311.db2.gz BDWUFGYDHRHQAP-SECBINFHSA-N -1 1 311.382 2.776 20 0 DFADMM COc1ccc([N-]S(=O)(=O)Cc2ccccc2Cl)nc1 ZINC000683708096 546079766 /nfs/dbraw/zinc/07/97/66/546079766.db2.gz OZFDEMNYQYGBIZ-UHFFFAOYSA-N -1 1 312.778 2.686 20 0 DFADMM Cc1[nH]nc(C(=O)Nc2c(-c3ccco3)nc3ccccn32)c1[O-] ZINC000684466193 546226185 /nfs/dbraw/zinc/22/61/85/546226185.db2.gz NAWWILXRLKJMRE-UHFFFAOYSA-N -1 1 323.312 2.584 20 0 DFADMM COCCOC1CCC(C(=O)Nc2c([O-])cccc2F)CC1 ZINC000684470687 546226518 /nfs/dbraw/zinc/22/65/18/546226518.db2.gz NKFMDSCUWBXVOS-UHFFFAOYSA-N -1 1 311.353 2.692 20 0 DFADMM CC(C)(O)[C@H]1CCCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684876708 546296490 /nfs/dbraw/zinc/29/64/90/546296490.db2.gz DFODGNKVUTXIMU-GFCCVEGCSA-N -1 1 317.307 2.787 20 0 DFADMM O=C(N[C@H]1CC[C@@H](CO)CC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684876725 546296557 /nfs/dbraw/zinc/29/65/57/546296557.db2.gz DWKNKZMHOWIPRN-JGZJWPJOSA-N -1 1 317.307 2.692 20 0 DFADMM O=C(N[C@@H]1CCCC[C@@H]1CO)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684876902 546296694 /nfs/dbraw/zinc/29/66/94/546296694.db2.gz FYFAKELUZOXFBN-ZYHUDNBSSA-N -1 1 317.307 2.692 20 0 DFADMM Cc1cc(S(=O)(=O)[N-]c2cnc[nH]2)ccc1C(F)(F)F ZINC000685914001 546408540 /nfs/dbraw/zinc/40/85/40/546408540.db2.gz VXEIZUYABGUPKW-UHFFFAOYSA-N -1 1 305.281 2.538 20 0 DFADMM Cc1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000737343337 598934793 /nfs/dbraw/zinc/93/47/93/598934793.db2.gz VKOKZYSDWBDGSV-UHFFFAOYSA-N -1 1 317.356 2.730 20 0 DFADMM Cc1ccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000737343337 598934795 /nfs/dbraw/zinc/93/47/95/598934795.db2.gz VKOKZYSDWBDGSV-UHFFFAOYSA-N -1 1 317.356 2.730 20 0 DFADMM C[C@H]1CCC[C@@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000736252819 598957782 /nfs/dbraw/zinc/95/77/82/598957782.db2.gz LKNYUJUSBGXKSV-WDEREUQCSA-N -1 1 309.377 2.801 20 0 DFADMM C[C@H]1CCC[C@@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000736252819 598957783 /nfs/dbraw/zinc/95/77/83/598957783.db2.gz LKNYUJUSBGXKSV-WDEREUQCSA-N -1 1 309.377 2.801 20 0 DFADMM Cc1ccccc1N(C(=O)c1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC000737427285 599005094 /nfs/dbraw/zinc/00/50/94/599005094.db2.gz CEXZJQYHPLNOAS-UHFFFAOYSA-N -1 1 322.372 2.625 20 0 DFADMM Cc1ccccc1N(C(=O)c1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC000737427285 599005096 /nfs/dbraw/zinc/00/50/96/599005096.db2.gz CEXZJQYHPLNOAS-UHFFFAOYSA-N -1 1 322.372 2.625 20 0 DFADMM C[C@@H](CNc1cccc(-c2nnn[n-]2)n1)Cc1cccs1 ZINC000820280752 599041536 /nfs/dbraw/zinc/04/15/36/599041536.db2.gz NSRLGACZFJAIBL-SNVBAGLBSA-N -1 1 300.391 2.614 20 0 DFADMM C[C@@H](CNc1cccc(-c2nn[n-]n2)n1)Cc1cccs1 ZINC000820280752 599041537 /nfs/dbraw/zinc/04/15/37/599041537.db2.gz NSRLGACZFJAIBL-SNVBAGLBSA-N -1 1 300.391 2.614 20 0 DFADMM COC(C)(C)C[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000821672648 599045540 /nfs/dbraw/zinc/04/55/40/599045540.db2.gz SENFFSXXMNVKMI-LURJTMIESA-N -1 1 316.818 2.592 20 0 DFADMM COC(C)(C)C[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000821672648 599045543 /nfs/dbraw/zinc/04/55/43/599045543.db2.gz SENFFSXXMNVKMI-LURJTMIESA-N -1 1 316.818 2.592 20 0 DFADMM COC(C)(C)C[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000821672649 599045919 /nfs/dbraw/zinc/04/59/19/599045919.db2.gz SENFFSXXMNVKMI-ZCFIWIBFSA-N -1 1 316.818 2.592 20 0 DFADMM COC(C)(C)C[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000821672649 599045922 /nfs/dbraw/zinc/04/59/22/599045922.db2.gz SENFFSXXMNVKMI-ZCFIWIBFSA-N -1 1 316.818 2.592 20 0 DFADMM C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CC[C@H](C(=O)[O-])C1 ZINC000818075586 597530570 /nfs/dbraw/zinc/53/05/70/597530570.db2.gz BJYMZPVGGZGJGV-KOLCDFICSA-N -1 1 321.764 2.858 20 0 DFADMM O=C([O-])c1ccc(CN[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000821545804 597717334 /nfs/dbraw/zinc/71/73/34/597717334.db2.gz QEMKAQCCSXRZBQ-HNNXBMFYSA-N -1 1 305.761 2.861 20 0 DFADMM CC1(C)Cc2cc(NCc3ccc(-c4nnn[n-]4)o3)ccc2O1 ZINC000820607734 607318058 /nfs/dbraw/zinc/31/80/58/607318058.db2.gz YPVALSXQMWAWNY-UHFFFAOYSA-N -1 1 311.345 2.785 20 0 DFADMM CC1(C)Cc2cc(NCc3ccc(-c4nn[n-]n4)o3)ccc2O1 ZINC000820607734 607318059 /nfs/dbraw/zinc/31/80/59/607318059.db2.gz YPVALSXQMWAWNY-UHFFFAOYSA-N -1 1 311.345 2.785 20 0 DFADMM Cn1c(CN2CCC(C(=O)[O-])CC2)nc2ccc(Cl)cc21 ZINC000821269167 598120182 /nfs/dbraw/zinc/12/01/82/598120182.db2.gz OWNZAZXLZULXPY-UHFFFAOYSA-N -1 1 307.781 2.523 20 0 DFADMM Cc1ccccc1CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000737427215 598571371 /nfs/dbraw/zinc/57/13/71/598571371.db2.gz AYIIULNOMXWEMO-UHFFFAOYSA-N -1 1 300.753 2.836 20 0 DFADMM Cc1ccccc1CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000737427215 598571372 /nfs/dbraw/zinc/57/13/72/598571372.db2.gz AYIIULNOMXWEMO-UHFFFAOYSA-N -1 1 300.753 2.836 20 0 DFADMM Cc1cc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)ccc1F ZINC000737263140 598571762 /nfs/dbraw/zinc/57/17/62/598571762.db2.gz CTXOVBCSIMHTHX-UHFFFAOYSA-N -1 1 318.743 2.975 20 0 DFADMM Cc1cc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)ccc1F ZINC000737263140 598571764 /nfs/dbraw/zinc/57/17/64/598571764.db2.gz CTXOVBCSIMHTHX-UHFFFAOYSA-N -1 1 318.743 2.975 20 0 DFADMM C[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1ccccn1 ZINC000736136474 598591968 /nfs/dbraw/zinc/59/19/68/598591968.db2.gz FOEJXDDEIUZMDB-LURJTMIESA-N -1 1 307.770 2.545 20 0 DFADMM C[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1ccccn1 ZINC000736136474 598591970 /nfs/dbraw/zinc/59/19/70/598591970.db2.gz FOEJXDDEIUZMDB-LURJTMIESA-N -1 1 307.770 2.545 20 0 DFADMM CC(=O)c1ccc(Oc2nnc(C)c(C)c2-c2nn[n-]n2)c(C)c1 ZINC000735497397 598612563 /nfs/dbraw/zinc/61/25/63/598612563.db2.gz AQJWTGNFJTVSQL-UHFFFAOYSA-N -1 1 324.344 2.577 20 0 DFADMM CC(C)(CNc1cccc(-c2nnn[n-]2)n1)c1cccs1 ZINC000735671090 599438620 /nfs/dbraw/zinc/43/86/20/599438620.db2.gz MBSWDIXPANMFGZ-UHFFFAOYSA-N -1 1 300.391 2.713 20 0 DFADMM CC(C)(CNc1cccc(-c2nn[n-]n2)n1)c1cccs1 ZINC000735671090 599438622 /nfs/dbraw/zinc/43/86/22/599438622.db2.gz MBSWDIXPANMFGZ-UHFFFAOYSA-N -1 1 300.391 2.713 20 0 DFADMM CC(C)(C)OCCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000819949975 599505169 /nfs/dbraw/zinc/50/51/69/599505169.db2.gz DSZKZRFGMODTQR-UHFFFAOYSA-N -1 1 312.377 2.642 20 0 DFADMM CC(C)(C)OCCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000819949975 599505171 /nfs/dbraw/zinc/50/51/71/599505171.db2.gz DSZKZRFGMODTQR-UHFFFAOYSA-N -1 1 312.377 2.642 20 0 DFADMM C[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1cccc(O)c1 ZINC000820455832 599516155 /nfs/dbraw/zinc/51/61/55/599516155.db2.gz NQGXSPZAUMZRLI-MRVPVSSYSA-N -1 1 316.752 2.794 20 0 DFADMM C[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1cccc(O)c1 ZINC000820455832 599516158 /nfs/dbraw/zinc/51/61/58/599516158.db2.gz NQGXSPZAUMZRLI-MRVPVSSYSA-N -1 1 316.752 2.794 20 0 DFADMM FC(F)(F)Cc1ccc(Nc2nccnc2-c2nnn[n-]2)cc1 ZINC000822718169 599579997 /nfs/dbraw/zinc/57/99/97/599579997.db2.gz BEFRDKVHZDJVFI-UHFFFAOYSA-N -1 1 321.266 2.505 20 0 DFADMM FC(F)(F)Cc1ccc(Nc2nccnc2-c2nn[n-]n2)cc1 ZINC000822718169 599579998 /nfs/dbraw/zinc/57/99/98/599579998.db2.gz BEFRDKVHZDJVFI-UHFFFAOYSA-N -1 1 321.266 2.505 20 0 DFADMM CC[C@@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736326627 599604174 /nfs/dbraw/zinc/60/41/74/599604174.db2.gz OXNNVOWZCBWXDT-SECBINFHSA-N -1 1 315.333 2.514 20 0 DFADMM CC[C@@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736326627 599604176 /nfs/dbraw/zinc/60/41/76/599604176.db2.gz 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/nfs/dbraw/zinc/86/37/33/607863733.db2.gz ULPFBZPWVUKMIA-UHFFFAOYSA-N -1 1 306.247 2.863 20 0 DFADMM CCCN(CC(=O)Nc1sc(C)c(C)c1C(=O)[O-])C1CC1 ZINC000737010865 600103194 /nfs/dbraw/zinc/10/31/94/600103194.db2.gz MPRMJBUESLZXBJ-UHFFFAOYSA-N -1 1 310.419 2.876 20 0 DFADMM CCC[C@](C)(NCC(=O)N1c2ccccc2CC[C@@H]1C)C(=O)[O-] ZINC000736965111 600151923 /nfs/dbraw/zinc/15/19/23/600151923.db2.gz RSJZLIGUOJOZSR-UGSOOPFHSA-N -1 1 318.417 2.587 20 0 DFADMM CCCCc1nc2ccc(NC(=O)C(C)(C)NC(=O)[O-])cc2[nH]1 ZINC000737004989 600157919 /nfs/dbraw/zinc/15/79/19/600157919.db2.gz YFRMQRUGURYMRB-UHFFFAOYSA-N -1 1 318.377 2.890 20 0 DFADMM CC(C)N(CCCC(=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC000736467863 600318297 /nfs/dbraw/zinc/31/82/97/600318297.db2.gz IBRNMEVNAZWAMA-UHFFFAOYSA-N -1 1 306.406 2.603 20 0 DFADMM C[C@@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1)N1CCCCCC1 ZINC000736218158 600404579 /nfs/dbraw/zinc/40/45/79/600404579.db2.gz LLZITYRFQUXZGW-NSHDSACASA-N -1 1 308.353 2.727 20 0 DFADMM 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606518755 /nfs/dbraw/zinc/51/87/55/606518755.db2.gz UILMZACQGXGLEE-UHFFFAOYSA-N -1 1 313.386 2.509 20 0 DFADMM Cc1ccccc1CN(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822356473 606518756 /nfs/dbraw/zinc/51/87/56/606518756.db2.gz UILMZACQGXGLEE-UHFFFAOYSA-N -1 1 313.386 2.509 20 0 DFADMM C[C@H]1CCCC[C@H]1CCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820698713 606562985 /nfs/dbraw/zinc/56/29/85/606562985.db2.gz WIYFALZWEGNXQX-QWRGUYRKSA-N -1 1 319.434 2.874 20 0 DFADMM C[C@H]1CCCC[C@H]1CCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820698713 606562987 /nfs/dbraw/zinc/56/29/87/606562987.db2.gz WIYFALZWEGNXQX-QWRGUYRKSA-N -1 1 319.434 2.874 20 0 DFADMM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820861805 606567431 /nfs/dbraw/zinc/56/74/31/606567431.db2.gz NWJGMOYYZYEEAZ-GHMZBOCLSA-N -1 1 319.434 2.969 20 0 DFADMM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820861805 606567432 /nfs/dbraw/zinc/56/74/32/606567432.db2.gz NWJGMOYYZYEEAZ-GHMZBOCLSA-N -1 1 319.434 2.969 20 0 DFADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000820462105 606593794 /nfs/dbraw/zinc/59/37/94/606593794.db2.gz UUQLQYLBHFWDEY-XMZIXOGTSA-N -1 1 322.372 2.627 20 0 DFADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000820462105 606593796 /nfs/dbraw/zinc/59/37/96/606593796.db2.gz UUQLQYLBHFWDEY-XMZIXOGTSA-N -1 1 322.372 2.627 20 0 DFADMM O=C(OCc1ccc(F)cc1F)c1sccc1-c1nn[n-]n1 ZINC000823426871 606635338 /nfs/dbraw/zinc/63/53/38/606635338.db2.gz PNJRRGVKPOULBM-UHFFFAOYSA-N -1 1 322.296 2.563 20 0 DFADMM C[C@H]1CCCC[C@@H]1CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820698134 606651759 /nfs/dbraw/zinc/65/17/59/606651759.db2.gz QFDJXLKXMCXMEX-WCQYABFASA-N -1 1 315.377 2.521 20 0 DFADMM C[C@H]1CCCC[C@@H]1CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820698134 606651760 /nfs/dbraw/zinc/65/17/60/606651760.db2.gz QFDJXLKXMCXMEX-WCQYABFASA-N -1 1 315.377 2.521 20 0 DFADMM O=C(CCC1CCCCC1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822950385 606651945 /nfs/dbraw/zinc/65/19/45/606651945.db2.gz MADIWTYUCCPUMS-UHFFFAOYSA-N -1 1 315.377 2.665 20 0 DFADMM O=C(CCC1CCCCC1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822950385 606651946 /nfs/dbraw/zinc/65/19/46/606651946.db2.gz MADIWTYUCCPUMS-UHFFFAOYSA-N -1 1 315.377 2.665 20 0 DFADMM C[C@@H]1CCC[C@H](CCOC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000820697885 606825806 /nfs/dbraw/zinc/82/58/06/606825806.db2.gz NOXJOSLNWSGICD-VXGBXAGGSA-N -1 1 315.377 2.635 20 0 DFADMM C[C@@H]1CCC[C@H](CCOC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000820697885 606825805 /nfs/dbraw/zinc/82/58/05/606825805.db2.gz NOXJOSLNWSGICD-VXGBXAGGSA-N -1 1 315.377 2.635 20 0 DFADMM CC(C)CCC1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000820072486 607117137 /nfs/dbraw/zinc/11/71/37/607117137.db2.gz HNWJCSOABZKBRP-UHFFFAOYSA-N -1 1 300.410 2.914 20 0 DFADMM CC(C)CCC1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000820072486 607117140 /nfs/dbraw/zinc/11/71/40/607117140.db2.gz HNWJCSOABZKBRP-UHFFFAOYSA-N -1 1 300.410 2.914 20 0 DFADMM Cc1cc(Oc2nnc(C)c(C)c2-c2nnn[n-]2)ccc1F ZINC000822212040 607129028 /nfs/dbraw/zinc/12/90/28/607129028.db2.gz ZTRQCUXHWHGMJC-UHFFFAOYSA-N -1 1 300.297 2.513 20 0 DFADMM Cc1cc(Oc2nnc(C)c(C)c2-c2nn[n-]n2)ccc1F ZINC000822212040 607129030 /nfs/dbraw/zinc/12/90/30/607129030.db2.gz ZTRQCUXHWHGMJC-UHFFFAOYSA-N -1 1 300.297 2.513 20 0 DFADMM c1nc(-c2nn[n-]n2)nn1Cc1ccc(C2CCCCC2)cc1 ZINC000823747713 607157716 /nfs/dbraw/zinc/15/77/16/607157716.db2.gz IGQJHSOOOSUUDR-UHFFFAOYSA-N -1 1 309.377 2.554 20 0 DFADMM CCc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1F ZINC000825712191 607772418 /nfs/dbraw/zinc/77/24/18/607772418.db2.gz MQMDFHNQXFOYHU-UHFFFAOYSA-N -1 1 317.349 2.882 20 0 DFADMM CCc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1F ZINC000825712191 607772419 /nfs/dbraw/zinc/77/24/19/607772419.db2.gz MQMDFHNQXFOYHU-UHFFFAOYSA-N -1 1 317.349 2.882 20 0 DFADMM Fc1cccc(COc2cccc(F)c2-c2nnn[n-]2)c1F ZINC000826377495 607863732 /nfs/dbraw/zinc/86/37/32/607863732.db2.gz ULPFBZPWVUKMIA-UHFFFAOYSA-N -1 1 306.247 2.863 20 0 DFADMM CC(C)c1nccc(Oc2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824364759 607866596 /nfs/dbraw/zinc/86/65/96/607866596.db2.gz TXBGJDFWGMTTHD-UHFFFAOYSA-N -1 1 300.297 2.712 20 0 DFADMM CC(C)c1nccc(Oc2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824364759 607866597 /nfs/dbraw/zinc/86/65/97/607866597.db2.gz TXBGJDFWGMTTHD-UHFFFAOYSA-N -1 1 300.297 2.712 20 0 DFADMM Fc1ccc(CN(c2cccc(-c3nnn[n-]3)n2)C2CC2)cc1 ZINC000826374265 607895792 /nfs/dbraw/zinc/89/57/92/607895792.db2.gz SDZJZHPTPYXAHN-UHFFFAOYSA-N -1 1 310.336 2.570 20 0 DFADMM Fc1ccc(CN(c2cccc(-c3nn[n-]n3)n2)C2CC2)cc1 ZINC000826374265 607895793 /nfs/dbraw/zinc/89/57/93/607895793.db2.gz SDZJZHPTPYXAHN-UHFFFAOYSA-N -1 1 310.336 2.570 20 0 DFADMM CCN(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)n1 ZINC000825435349 607897495 /nfs/dbraw/zinc/89/74/95/607897495.db2.gz VDVAXJINBSXVGP-UHFFFAOYSA-N -1 1 314.780 2.942 20 0 DFADMM CCN(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)n1 ZINC000825435349 607897496 /nfs/dbraw/zinc/89/74/96/607897496.db2.gz VDVAXJINBSXVGP-UHFFFAOYSA-N -1 1 314.780 2.942 20 0 DFADMM c1cc(Nc2cccc(-c3nnn[n-]3)n2)cc(N2CCCC2)c1 ZINC000826517400 607897847 /nfs/dbraw/zinc/89/78/47/607897847.db2.gz BFBPZZZRAZKDNN-UHFFFAOYSA-N -1 1 307.361 2.606 20 0 DFADMM c1cc(Nc2cccc(-c3nn[n-]n3)n2)cc(N2CCCC2)c1 ZINC000826517400 607897848 /nfs/dbraw/zinc/89/78/48/607897848.db2.gz BFBPZZZRAZKDNN-UHFFFAOYSA-N -1 1 307.361 2.606 20 0 DFADMM CCN(Cc1c(F)cccc1F)c1cccc(-c2nnn[n-]2)n1 ZINC000825428289 607897859 /nfs/dbraw/zinc/89/78/59/607897859.db2.gz IFTQSRRBJKHUGA-UHFFFAOYSA-N -1 1 316.315 2.566 20 0 DFADMM CCN(Cc1c(F)cccc1F)c1cccc(-c2nn[n-]n2)n1 ZINC000825428289 607897860 /nfs/dbraw/zinc/89/78/60/607897860.db2.gz IFTQSRRBJKHUGA-UHFFFAOYSA-N -1 1 316.315 2.566 20 0 DFADMM C[C@H]1C[C@H](c2cccc(F)c2)N(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000824899547 607900620 /nfs/dbraw/zinc/90/06/20/607900620.db2.gz LDQXYPMVRANVEC-XHDPSFHLSA-N -1 1 324.363 2.988 20 0 DFADMM C[C@H]1C[C@H](c2cccc(F)c2)N(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000824899547 607900621 /nfs/dbraw/zinc/90/06/21/607900621.db2.gz LDQXYPMVRANVEC-XHDPSFHLSA-N -1 1 324.363 2.988 20 0 DFADMM CC(C)CC(C)(C)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824228103 607997245 /nfs/dbraw/zinc/99/72/45/607997245.db2.gz FEJMLGKVHJYHSK-UHFFFAOYSA-N -1 1 303.366 2.583 20 0 DFADMM C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC12CCC2 ZINC000824948373 608199817 /nfs/dbraw/zinc/19/98/17/608199817.db2.gz URKSEDFKVFDVTO-JTQLQIEISA-N -1 1 317.418 2.581 20 0 DFADMM C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC12CCC2 ZINC000824948373 608199818 /nfs/dbraw/zinc/19/98/18/608199818.db2.gz URKSEDFKVFDVTO-JTQLQIEISA-N -1 1 317.418 2.581 20 0 DFADMM Clc1ccc(Oc2ccc(-c3nnn[n-]3)nn2)cc1Cl ZINC000826352741 608388525 /nfs/dbraw/zinc/38/85/25/608388525.db2.gz MJACUEGXWPRLRA-UHFFFAOYSA-N -1 1 309.116 2.756 20 0 DFADMM Clc1ccc(Oc2ccc(-c3nn[n-]n3)nn2)cc1Cl ZINC000826352741 608388526 /nfs/dbraw/zinc/38/85/26/608388526.db2.gz MJACUEGXWPRLRA-UHFFFAOYSA-N -1 1 309.116 2.756 20 0 DFADMM Clc1ccc(Cl)c(Oc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826352425 608388719 /nfs/dbraw/zinc/38/87/19/608388719.db2.gz ZZSGQFZZEPEIRM-UHFFFAOYSA-N -1 1 309.116 2.756 20 0 DFADMM Clc1ccc(Cl)c(Oc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826352425 608388721 /nfs/dbraw/zinc/38/87/21/608388721.db2.gz ZZSGQFZZEPEIRM-UHFFFAOYSA-N -1 1 309.116 2.756 20 0 DFADMM CC(C)(C)c1ccc2c(c1)CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC000824135060 608407918 /nfs/dbraw/zinc/40/79/18/608407918.db2.gz ALWUCGWDXAVVFX-UHFFFAOYSA-N -1 1 321.388 2.648 20 0 DFADMM CC(C)(C)c1ccc2c(c1)CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC000824135060 608407919 /nfs/dbraw/zinc/40/79/19/608407919.db2.gz ALWUCGWDXAVVFX-UHFFFAOYSA-N -1 1 321.388 2.648 20 0 DFADMM c1ccc([C@H](Nc2ccc(-c3nnn[n-]3)nn2)C2CCC2)cc1 ZINC000826520156 608414602 /nfs/dbraw/zinc/41/46/02/608414602.db2.gz BIMZJFQXJOGEHM-HNNXBMFYSA-N -1 1 307.361 2.610 20 0 DFADMM c1ccc([C@H](Nc2ccc(-c3nn[n-]n3)nn2)C2CCC2)cc1 ZINC000826520156 608414604 /nfs/dbraw/zinc/41/46/04/608414604.db2.gz BIMZJFQXJOGEHM-HNNXBMFYSA-N -1 1 307.361 2.610 20 0 DFADMM Cc1ccc(-c2nn[n-]n2)nc1NCCc1ccc(Cl)cc1 ZINC000826280926 608541568 /nfs/dbraw/zinc/54/15/68/608541568.db2.gz WNPYAGHYUNIMHU-UHFFFAOYSA-N -1 1 314.780 2.878 20 0 DFADMM CCOc1cccc([C@H]2C[C@H]2Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC000825648928 608588883 /nfs/dbraw/zinc/58/88/83/608588883.db2.gz GTPDOCSUMLFRGB-UKRRQHHQSA-N -1 1 322.372 2.628 20 0 DFADMM CCOc1cccc([C@H]2C[C@H]2Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC000825648928 608588885 /nfs/dbraw/zinc/58/88/85/608588885.db2.gz GTPDOCSUMLFRGB-UKRRQHHQSA-N -1 1 322.372 2.628 20 0 DFADMM CN(Cc1ccc(-c2nnn[n-]2)o1)Cc1ccc(F)cc1Cl ZINC000825961272 608689339 /nfs/dbraw/zinc/68/93/39/608689339.db2.gz DKGGWSQHEXRWKH-UHFFFAOYSA-N -1 1 321.743 2.884 20 0 DFADMM CN(Cc1ccc(-c2nn[n-]n2)o1)Cc1ccc(F)cc1Cl ZINC000825961272 608689340 /nfs/dbraw/zinc/68/93/40/608689340.db2.gz DKGGWSQHEXRWKH-UHFFFAOYSA-N -1 1 321.743 2.884 20 0 DFADMM C[C@H]1CC[C@@]2(CCN(c3snc(Cl)c3-c3nnn[n-]3)C2)C1 ZINC000824919088 609390361 /nfs/dbraw/zinc/39/03/61/609390361.db2.gz RRDNEIHCDDQSSD-ISVAXAHUSA-N -1 1 324.841 2.993 20 0 DFADMM C[C@H]1CC[C@@]2(CCN(c3snc(Cl)c3-c3nn[n-]n3)C2)C1 ZINC000824919088 609390364 /nfs/dbraw/zinc/39/03/64/609390364.db2.gz RRDNEIHCDDQSSD-ISVAXAHUSA-N -1 1 324.841 2.993 20 0 DFADMM O=c1cc(C(F)F)nc(SCCn2cc(Cl)cn2)[n-]1 ZINC000413002600 295667507 /nfs/dbraw/zinc/66/75/07/295667507.db2.gz OFMWZVJVQAOZHW-UHFFFAOYSA-N -1 1 306.725 2.762 20 0 DFADMM COC(=O)[C@@H](C)CSCc1cc(=O)oc2cc([O-])ccc12 ZINC000078825004 185116210 /nfs/dbraw/zinc/11/62/10/185116210.db2.gz BXOXOFHDIWVYIH-VIFPVBQESA-N -1 1 308.355 2.541 20 0 DFADMM CC[C@H](Sc1ncc(C(=O)OC)[n-]1)C(=O)c1ccccc1 ZINC000278619182 214279303 /nfs/dbraw/zinc/27/93/03/214279303.db2.gz JOOGNESXPRSDJX-LBPRGKRZSA-N -1 1 304.371 2.950 20 0 DFADMM CC[C@H](Sc1nc(C(=O)OC)c[n-]1)C(=O)c1ccccc1 ZINC000278619182 214279306 /nfs/dbraw/zinc/27/93/06/214279306.db2.gz JOOGNESXPRSDJX-LBPRGKRZSA-N -1 1 304.371 2.950 20 0 DFADMM Cc1n[nH]cc1S(=O)(=O)[N-]c1cc(C)c(F)cc1Cl ZINC000312014955 231120699 /nfs/dbraw/zinc/12/06/99/231120699.db2.gz STQDRAGJRQBYEI-UHFFFAOYSA-N -1 1 303.746 2.620 20 0 DFADMM O=C(NC1CCN(c2ccccc2)CC1)c1cc(F)ccc1[O-] ZINC000081951488 192345801 /nfs/dbraw/zinc/34/58/01/192345801.db2.gz XDAOZBLRQIGIFB-UHFFFAOYSA-N -1 1 314.360 2.930 20 0 DFADMM COc1ccc2cc([C@H](C)C(=O)[N-]OCC(C)(C)O)ccc2c1 ZINC000278749516 214373996 /nfs/dbraw/zinc/37/39/96/214373996.db2.gz VNXJPTRRQHRBAO-LBPRGKRZSA-N -1 1 317.385 2.771 20 0 DFADMM CCc1nc(SCC(=O)Nc2ccc(C)cc2)[n-]c(=O)c1C ZINC000006493545 398355621 /nfs/dbraw/zinc/35/56/21/398355621.db2.gz RIEOMLKCISLAEN-UHFFFAOYSA-N -1 1 317.414 2.680 20 0 DFADMM O=C(Nc1ccc(Br)c(F)c1)c1cncc([O-])c1 ZINC000088084585 185239209 /nfs/dbraw/zinc/23/92/09/185239209.db2.gz DVZBQAVREXTKEW-UHFFFAOYSA-N -1 1 311.110 2.941 20 0 DFADMM Cc1cnc(C(=O)N2CCC(OCC3CCCC3)CC2)c([O-])c1 ZINC000330221543 231751108 /nfs/dbraw/zinc/75/11/08/231751108.db2.gz LSWHZLAHYGTKLH-UHFFFAOYSA-N -1 1 318.417 2.907 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC2(CCC2)C[C@@H]1C ZINC000372868552 295689650 /nfs/dbraw/zinc/68/96/50/295689650.db2.gz HOLRGRYKMLGURC-VIFPVBQESA-N -1 1 307.419 2.617 20 0 DFADMM CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(F)ccc1[O-] ZINC000092431758 185317965 /nfs/dbraw/zinc/31/79/65/185317965.db2.gz BKMIBFXNRBYMKN-LBPRGKRZSA-N -1 1 318.352 2.511 20 0 DFADMM CCn1c(CNC(=O)[C@H]2C[C@H]2c2ccc(C)s2)n[n-]c1=S ZINC000066636607 398389869 /nfs/dbraw/zinc/38/98/69/398389869.db2.gz OLFWOLRIGAJWSI-ZJUUUORDSA-N -1 1 322.459 2.750 20 0 DFADMM O=c1cc(CN[C@H](CCCO)c2ccccc2)nc(C2CC2)[nH]1 ZINC000459384333 299092810 /nfs/dbraw/zinc/09/28/10/299092810.db2.gz IDUVGYYUWNPINX-MRXNPFEDSA-N -1 1 313.401 2.663 20 0 DFADMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)n1 ZINC000330881377 529744167 /nfs/dbraw/zinc/74/41/67/529744167.db2.gz AAFLJKXOVQODAM-UHFFFAOYSA-N -1 1 314.436 2.527 20 0 DFADMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000016725980 398402267 /nfs/dbraw/zinc/40/22/67/398402267.db2.gz DVIYWCAUOVQCCY-UHFFFAOYSA-N -1 1 324.789 2.548 20 0 DFADMM CSc1nc(C)c(CCC(=O)N2CCCCCC2)c(=O)[n-]1 ZINC000021959907 398414898 /nfs/dbraw/zinc/41/48/98/398414898.db2.gz PLWMWDAABIYPMU-UHFFFAOYSA-N -1 1 309.435 2.548 20 0 DFADMM NC(=O)c1cccc(CNC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000025333040 398440006 /nfs/dbraw/zinc/44/00/06/398440006.db2.gz VIYGBCXHCAUDKP-UHFFFAOYSA-N -1 1 320.348 2.574 20 0 DFADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(NC(N)=O)cc2)c1 ZINC000026232631 398450660 /nfs/dbraw/zinc/45/06/60/398450660.db2.gz JLLFHKGSLVDRMG-UHFFFAOYSA-N -1 1 319.386 2.595 20 0 DFADMM CC(C)(O)[C@H]1CCCN1Cc1cccc(O)c1Br ZINC000459473262 299115439 /nfs/dbraw/zinc/11/54/39/299115439.db2.gz BLCSMASZRIRQAE-GFCCVEGCSA-N -1 1 314.223 2.890 20 0 DFADMM NC(=O)CC[C@@H]1CCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000330839573 232105519 /nfs/dbraw/zinc/10/55/19/232105519.db2.gz IWCKNIRPVHWGKZ-VIFPVBQESA-N -1 1 312.316 2.838 20 0 DFADMM Cc1ccc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)s1 ZINC000048840545 282386615 /nfs/dbraw/zinc/38/66/15/282386615.db2.gz GMGRCWKSRMZLCA-UHFFFAOYSA-N -1 1 321.345 2.952 20 0 DFADMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000068074921 398477255 /nfs/dbraw/zinc/47/72/55/398477255.db2.gz FFRMKKBHSPOPKO-UHFFFAOYSA-N -1 1 317.366 2.720 20 0 DFADMM O=C(CNC(=O)c1cc(Cl)ccc1[O-])Nc1cccc(F)c1 ZINC000050362856 282393280 /nfs/dbraw/zinc/39/32/80/282393280.db2.gz LVNXICHWZRVRIM-UHFFFAOYSA-N -1 1 322.723 2.553 20 0 DFADMM O=C(NCCOCC(F)(F)F)c1cc2ccccc2cc1[O-] ZINC000029101528 398479805 /nfs/dbraw/zinc/47/98/05/398479805.db2.gz NPOAJQPRDHFAFU-UHFFFAOYSA-N -1 1 313.275 2.854 20 0 DFADMM COc1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)c([O-])c1 ZINC000029282977 398482875 /nfs/dbraw/zinc/48/28/75/398482875.db2.gz PUVZDZWINQJVIW-UHFFFAOYSA-N -1 1 319.264 2.523 20 0 DFADMM NC(=O)c1cc(-c2csc(NCC3CCC3)n2)ccc1[O-] ZINC000063630389 282454444 /nfs/dbraw/zinc/45/44/44/282454444.db2.gz IQKVNSYTVWZKPO-UHFFFAOYSA-N -1 1 303.387 2.827 20 0 DFADMM O=C(CNC(=O)c1cc(Cl)ccc1[O-])Nc1ccc(F)cc1 ZINC000064398500 282458608 /nfs/dbraw/zinc/45/86/08/282458608.db2.gz CYKBLOLGYQEABN-UHFFFAOYSA-N -1 1 322.723 2.553 20 0 DFADMM COc1cc(C(=O)N[C@H]2CS[C@@H](C)C2)cc(Cl)c1[O-] 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COCc1cc(Cl)ccc1[N-]S(=O)(=O)CC(C)(C)OC ZINC000424082921 296483964 /nfs/dbraw/zinc/48/39/64/296483964.db2.gz LZRFOAKGNZJISO-UHFFFAOYSA-N -1 1 321.826 2.653 20 0 DFADMM Cc1nc(C)c(S(=O)(=O)[N-]c2ccnc(C)c2Cl)s1 ZINC000165260941 542748948 /nfs/dbraw/zinc/74/89/48/542748948.db2.gz IENRVESKEQZXEG-UHFFFAOYSA-N -1 1 317.823 2.918 20 0 DFADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc2n[nH]cc21 ZINC000187315817 542819504 /nfs/dbraw/zinc/81/95/04/542819504.db2.gz PPTXGORBTLVOEN-UHFFFAOYSA-N -1 1 301.371 2.926 20 0 DFADMM C[C@@H]1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)[C@H]2CCCC[C@@H]12 ZINC000253558777 542949486 /nfs/dbraw/zinc/94/94/86/542949486.db2.gz ZAHZZZDPHKMEAO-XUJVJEKNSA-N -1 1 311.385 2.986 20 0 DFADMM CC(C)[C@H]1C[C@H](NC(=O)c2ncc3ccccc3c2[O-])CCO1 ZINC000613240376 399828755 /nfs/dbraw/zinc/82/87/55/399828755.db2.gz CRCIIZKZUJNMBH-UKRRQHHQSA-N -1 1 314.385 2.874 20 0 DFADMM COC[C@@H](Cc1ccccc1)NC(=O)c1c(F)ccc([O-])c1F ZINC000348850906 285699794 /nfs/dbraw/zinc/69/97/94/285699794.db2.gz 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Cc1c(Cl)c(CNC[C@H](CC(=O)[O-])C2CCCC2)nn1C ZINC000630472311 399891821 /nfs/dbraw/zinc/89/18/21/399891821.db2.gz KTMUOABHZVNBMC-LBPRGKRZSA-N -1 1 313.829 2.753 20 0 DFADMM CCSc1ccc(Cl)cc1NC(=O)CCc1nn[n-]n1 ZINC000630929320 399949091 /nfs/dbraw/zinc/94/90/91/399949091.db2.gz MLMSQJBFFGOEPD-UHFFFAOYSA-N -1 1 311.798 2.536 20 0 DFADMM CCc1nc(SCc2nc(C3CCC3)no2)[n-]c(=O)c1C ZINC000631017931 399963382 /nfs/dbraw/zinc/96/33/82/399963382.db2.gz STHDAHPWGVNOGF-UHFFFAOYSA-N -1 1 306.391 2.996 20 0 DFADMM Cc1nc(S[C@@H]2CCCN(C(C)C)C2=O)[n-]c(=O)c1C1CC1 ZINC000631024247 399964479 /nfs/dbraw/zinc/96/44/79/399964479.db2.gz PYVTXLVJKNWRRQ-GFCCVEGCSA-N -1 1 321.446 2.860 20 0 DFADMM COCc1noc([C@H](C)Sc2nc(C)c(C3CC3)c(=O)[n-]2)n1 ZINC000631024401 399964588 /nfs/dbraw/zinc/96/45/88/399964588.db2.gz SDJYQNJIOUWHRY-QMMMGPOBSA-N -1 1 322.390 2.751 20 0 DFADMM CCOc1cc(C(=O)N[C@@H]2C[C@@H](C)O[C@@H]2C)cc(Cl)c1[O-] ZINC000634012521 399972170 /nfs/dbraw/zinc/97/21/70/399972170.db2.gz DJMTUZLHVHEBGQ-KBVBSXBZSA-N 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O=C(Nc1cccc(F)c1[O-])[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC000628960282 400065874 /nfs/dbraw/zinc/06/58/74/400065874.db2.gz MZQQFXHDTNNJPC-RISCZKNCSA-N -1 1 320.364 2.651 20 0 DFADMM CC(C)(C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000628960573 400065942 /nfs/dbraw/zinc/06/59/42/400065942.db2.gz JWFNEIMCLMESGH-LBPRGKRZSA-N -1 1 308.353 2.507 20 0 DFADMM O=C(CCNC(=O)C1CCCCC1)Nc1cccc(F)c1[O-] ZINC000628960838 400066014 /nfs/dbraw/zinc/06/60/14/400066014.db2.gz ZFSMJQWYGPDJFV-UHFFFAOYSA-N -1 1 308.353 2.556 20 0 DFADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC[C@H]2COCC[C@@H]21 ZINC000631756154 400072490 /nfs/dbraw/zinc/07/24/90/400072490.db2.gz MOSNWKLMPLHGGU-JSGCOSHPSA-N -1 1 309.793 2.616 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000253550963 146229692 /nfs/dbraw/zinc/22/96/92/146229692.db2.gz WTPNXJBVKOVWRF-JZYVYDRUSA-N -1 1 309.435 2.767 20 0 DFADMM Cc1cc2c[nH]nc2c(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000262206244 146342948 /nfs/dbraw/zinc/34/29/48/146342948.db2.gz KCGOSQMBXUAWIB-CYBMUJFWSA-N -1 1 315.373 2.731 20 0 DFADMM CC(C)c1ccccc1NC(=O)[C@@H](C)N1CCC[C@@H](C(=O)[O-])C1 ZINC000262644644 146380009 /nfs/dbraw/zinc/38/00/09/146380009.db2.gz IDWWHDNBLKDOEU-ZIAGYGMSSA-N -1 1 318.417 2.934 20 0 DFADMM C[C@]1(C(=O)[O-])CCN(Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000263488101 146483973 /nfs/dbraw/zinc/48/39/73/146483973.db2.gz HVJZWVNFVHFJBX-ZDUSSCGKSA-N -1 1 303.280 2.708 20 0 DFADMM Cc1nn(C)cc1CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000354807034 147158593 /nfs/dbraw/zinc/15/85/93/147158593.db2.gz NSFFXULAJXSEJS-UHFFFAOYSA-N -1 1 324.388 2.515 20 0 DFADMM Cc1cccc(C(C)(C)NC(=O)c2c[n-]c3c(cnn3C)c2=O)c1 ZINC000355570715 147368835 /nfs/dbraw/zinc/36/88/35/147368835.db2.gz CSRWVDWIKJPEAV-UHFFFAOYSA-N -1 1 324.384 2.647 20 0 DFADMM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000355604006 147380445 /nfs/dbraw/zinc/38/04/45/147380445.db2.gz ZYSJDQCQEARPSS-RYUDHWBXSA-N -1 1 324.384 2.596 20 0 DFADMM Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(N(C)C)cc2)c1 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CC(=O)Nc1ccc(CNC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000358098662 148242259 /nfs/dbraw/zinc/24/22/59/148242259.db2.gz MRLIPKWWZLPWOP-UHFFFAOYSA-N -1 1 320.295 2.559 20 0 DFADMM CCOc1cc(C(=O)NCCC[C@H](O)CC)cc(Cl)c1[O-] ZINC000358134808 148255545 /nfs/dbraw/zinc/25/55/45/148255545.db2.gz SUUIQRJLPZVPFO-LLVKDONJSA-N -1 1 315.797 2.725 20 0 DFADMM C[C@H](CN(C)C(=O)c1c[n-]c2c(cnn2C)c1=O)c1ccccc1 ZINC000358329553 148331097 /nfs/dbraw/zinc/33/10/97/148331097.db2.gz GKYIEGZTVYBJOS-GFCCVEGCSA-N -1 1 324.384 2.550 20 0 DFADMM O=C(N[C@H](Cc1ccccc1)C(F)(F)F)c1ncccc1[O-] ZINC000358545041 148383706 /nfs/dbraw/zinc/38/37/06/148383706.db2.gz ZIIMWRCJOBXINP-GFCCVEGCSA-N -1 1 310.275 2.691 20 0 DFADMM Cc1cnc(C(=O)NCc2coc(-c3cccs3)n2)c([O-])c1 ZINC000358605628 148396920 /nfs/dbraw/zinc/39/69/20/148396920.db2.gz ZODLKXIBHISOKE-UHFFFAOYSA-N -1 1 315.354 2.742 20 0 DFADMM Cc1cnc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c([O-])c1 ZINC000358606238 148397482 /nfs/dbraw/zinc/39/74/82/148397482.db2.gz 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Cc1ccc(CCC(=O)Nc2n[n-]c(C(F)(F)F)n2)s1 ZINC000352285682 286336293 /nfs/dbraw/zinc/33/62/93/286336293.db2.gz SJQGAGGVXDQTCQ-UHFFFAOYSA-N -1 1 304.297 2.765 20 0 DFADMM CCO[C@@H]1C[C@H](N=c2nc(C(F)(F)F)[n-]s2)C12CCC2 ZINC000375248192 286338187 /nfs/dbraw/zinc/33/81/87/286338187.db2.gz DMCYDXUQEKHICG-JGVFFNPUSA-N -1 1 307.341 2.738 20 0 DFADMM O=S(=O)([N-]CC(F)(F)c1ccccc1)c1ccccc1F ZINC000352734717 286454219 /nfs/dbraw/zinc/45/42/19/286454219.db2.gz ZULBEHSDFRMBSA-UHFFFAOYSA-N -1 1 315.316 2.896 20 0 DFADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1c[nH]c(C2CC2)n1 ZINC000429068106 296729481 /nfs/dbraw/zinc/72/94/81/296729481.db2.gz KXIYDMFQLXIIBO-UHFFFAOYSA-N -1 1 309.329 2.635 20 0 DFADMM Cc1n[nH]cc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182912801 158009343 /nfs/dbraw/zinc/00/93/43/158009343.db2.gz YGXLHHCAYSVQAF-UHFFFAOYSA-N -1 1 310.151 2.747 20 0 DFADMM CCn1cc(C(=O)Nc2cc(C)cc(Br)c2[O-])cn1 ZINC000182915661 158010855 /nfs/dbraw/zinc/01/08/55/158010855.db2.gz AYALMFALNGTZBP-UHFFFAOYSA-N -1 1 324.178 2.932 20 0 DFADMM Cc1cc(Br)c([O-])c(NC(=O)c2cnccn2)c1 ZINC000182914571 158011322 /nfs/dbraw/zinc/01/13/22/158011322.db2.gz RDVWWFOPJSTKDC-UHFFFAOYSA-N -1 1 308.135 2.505 20 0 DFADMM Cc1cnc(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)o1 ZINC000429849489 296761537 /nfs/dbraw/zinc/76/15/37/296761537.db2.gz KPJPSWNSYMLIFC-UHFFFAOYSA-N -1 1 321.185 2.768 20 0 DFADMM Cc1cccc(S(=O)(=O)[N-]c2ccccc2C[S@@](C)=O)c1 ZINC000185652179 158067490 /nfs/dbraw/zinc/06/74/90/158067490.db2.gz WTTQVPACBSZHTL-HXUWFJFHSA-N -1 1 323.439 2.674 20 0 DFADMM CC[C@H](C)[C@H](C(=O)N(C)C[C@H](C)c1nn[n-]n1)c1ccccc1 ZINC000248431737 158176652 /nfs/dbraw/zinc/17/66/52/158176652.db2.gz UKQPCEZKELUWDS-YDHLFZDLSA-N -1 1 315.421 2.592 20 0 DFADMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1nc(-c2ccoc2)no1 ZINC000248564561 158184873 /nfs/dbraw/zinc/18/48/73/158184873.db2.gz PBYCDQFXTADYSX-RTXFEEFZSA-N -1 1 317.345 2.547 20 0 DFADMM CC[C@H](C(=O)N(C)C[C@H](C)c1nn[n-]n1)C1CCC(C)CC1 ZINC000358385550 158375445 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DFADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C)ccc1C ZINC000055311039 425892835 /nfs/dbraw/zinc/89/28/35/425892835.db2.gz QAGJQRJQQUFBBM-UHFFFAOYSA-N -1 1 309.343 2.704 20 0 DFADMM O=C(NCC1CCSCC1)c1ncc2ccccc2c1[O-] ZINC000668721216 543854186 /nfs/dbraw/zinc/85/41/86/543854186.db2.gz HSMUIFRCAGIHDR-UHFFFAOYSA-N -1 1 302.399 2.813 20 0 DFADMM CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)[N-]OC/C=C/Cl ZINC000291891017 287386992 /nfs/dbraw/zinc/38/69/92/287386992.db2.gz RGIBWPLEWJQHAF-NPQIQWPPSA-N -1 1 320.817 2.728 20 0 DFADMM C[C@H]1SCCN(C(=O)c2ncc3ccccc3c2[O-])[C@H]1C ZINC000668894622 543883588 /nfs/dbraw/zinc/88/35/88/543883588.db2.gz YRNOKERXFZQCCT-WDEREUQCSA-N -1 1 302.399 2.906 20 0 DFADMM CC1(C)CC(C(=O)NC2(c3nn[n-]n3)CCCC2)CC(C)(C)C1 ZINC000668869477 543881628 /nfs/dbraw/zinc/88/16/28/543881628.db2.gz ORMBWUVUYVJQFB-UHFFFAOYSA-N -1 1 319.453 2.938 20 0 DFADMM CC[C@@H]1CO[C@@H](C)CN1C(=O)c1ncc2ccccc2c1[O-] ZINC000669262726 543925969 /nfs/dbraw/zinc/92/59/69/543925969.db2.gz 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C[C@@H]1CCN(C(=O)c2ccc(Br)cc2[O-])C[C@H]1F ZINC000679256533 544815312 /nfs/dbraw/zinc/81/53/12/544815312.db2.gz YTGVYTVOOYZTSR-LDYMZIIASA-N -1 1 316.170 2.975 20 0 DFADMM O=C([O-])CCCC[NH+]1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000680016474 544943538 /nfs/dbraw/zinc/94/35/38/544943538.db2.gz DAZCNBFIAFXODM-UHFFFAOYSA-N -1 1 305.374 2.542 20 0 DFADMM CCc1cnc(C(=O)[N-]c2nnc(-c3ccccn3)s2)s1 ZINC000680342433 544993848 /nfs/dbraw/zinc/99/38/48/544993848.db2.gz ANZQOJPOUSNNKV-UHFFFAOYSA-N -1 1 317.399 2.871 20 0 DFADMM COCc1ccccc1[N-]S(=O)(=O)c1ccc(OC)cc1C ZINC000055595137 425894198 /nfs/dbraw/zinc/89/41/98/425894198.db2.gz YBKJCNTWXQUOQP-UHFFFAOYSA-N -1 1 321.398 2.951 20 0 DFADMM COC(=O)Nc1cc([N-]S(=O)(=O)c2ccccc2)ccc1F ZINC000066587851 425905213 /nfs/dbraw/zinc/90/52/13/425905213.db2.gz YARZUGSPDCKTCN-UHFFFAOYSA-N -1 1 324.333 2.805 20 0 DFADMM CCCCc1ccc(CC(=O)NCc2n[n-]c(=S)n2C)cc1 ZINC000066625798 425905368 /nfs/dbraw/zinc/90/53/68/425905368.db2.gz MDSLCFKYXUCANV-UHFFFAOYSA-N -1 1 318.446 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COc1ccc(-c2n[n-]c(S(=O)(=O)CCCC(C)C)n2)cc1 ZINC000683687724 546076391 /nfs/dbraw/zinc/07/63/91/546076391.db2.gz MSAAAVMVDMDACQ-UHFFFAOYSA-N -1 1 323.418 2.690 20 0 DFADMM COc1ccc(-c2nc(S(=O)(=O)CCCC(C)C)n[n-]2)cc1 ZINC000683687724 546076397 /nfs/dbraw/zinc/07/63/97/546076397.db2.gz MSAAAVMVDMDACQ-UHFFFAOYSA-N -1 1 323.418 2.690 20 0 DFADMM O=C(NCc1ccncc1C(F)(F)F)c1ccc([O-])cc1F ZINC000684189659 546167956 /nfs/dbraw/zinc/16/79/56/546167956.db2.gz AFFSXNWDAZVLND-UHFFFAOYSA-N -1 1 314.238 2.875 20 0 DFADMM CC(C)([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(F)F ZINC000684599761 546249997 /nfs/dbraw/zinc/24/99/97/546249997.db2.gz VJLFGLMPSJCGLI-UHFFFAOYSA-N -1 1 301.717 2.801 20 0 DFADMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C[C@H](C)O1 ZINC000684868437 546295811 /nfs/dbraw/zinc/29/58/11/546295811.db2.gz BLXJROUIZQJFOA-DTORHVGOSA-N -1 1 303.280 2.660 20 0 DFADMM C[C@H](O)C1CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)CC1 ZINC000684875573 546296196 /nfs/dbraw/zinc/29/61/96/546296196.db2.gz KGWMEQNRMRPXOO-VIFPVBQESA-N -1 1 317.307 2.644 20 0 DFADMM C[C@@H](CNC(=O)c1ccc(C(F)(F)F)c([O-])c1)C[C@H](C)O ZINC000684875518 546296455 /nfs/dbraw/zinc/29/64/55/546296455.db2.gz IHQNZFZSRKWHIT-BDAKNGLRSA-N -1 1 305.296 2.548 20 0 DFADMM COc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]2C)c(F)c1 ZINC000684924454 546303519 /nfs/dbraw/zinc/30/35/19/546303519.db2.gz GSCVARPHUQREOP-ZJUUUORDSA-N -1 1 319.373 2.688 20 0 DFADMM O=C(Nc1ccc(N2CCC2=O)cc1)c1ccc([O-])c(F)c1 ZINC000684990081 546314522 /nfs/dbraw/zinc/31/45/22/546314522.db2.gz VDHLRMYPAPRKKA-UHFFFAOYSA-N -1 1 300.289 2.520 20 0 DFADMM C[C@@H]1CCC[C@@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000736252816 598957613 /nfs/dbraw/zinc/95/76/13/598957613.db2.gz LKNYUJUSBGXKSV-GHMZBOCLSA-N -1 1 309.377 2.801 20 0 DFADMM C[C@@H]1CCC[C@@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000736252816 598957615 /nfs/dbraw/zinc/95/76/15/598957615.db2.gz LKNYUJUSBGXKSV-GHMZBOCLSA-N -1 1 309.377 2.801 20 0 DFADMM CCCCN(C(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000736451569 598981700 /nfs/dbraw/zinc/98/17/00/598981700.db2.gz MALVNGZWWGIGLG-UHFFFAOYSA-N -1 1 322.372 2.709 20 0 DFADMM CCCCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000736451569 598981702 /nfs/dbraw/zinc/98/17/02/598981702.db2.gz MALVNGZWWGIGLG-UHFFFAOYSA-N -1 1 322.372 2.709 20 0 DFADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCC(C1CC1)C1CC1 ZINC000823796498 599087217 /nfs/dbraw/zinc/08/72/17/599087217.db2.gz CKOMBSBZSRKDLT-UHFFFAOYSA-N -1 1 321.388 2.658 20 0 DFADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCC(C1CC1)C1CC1 ZINC000823796498 599087220 /nfs/dbraw/zinc/08/72/20/599087220.db2.gz CKOMBSBZSRKDLT-UHFFFAOYSA-N -1 1 321.388 2.658 20 0 DFADMM CC[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(C)cc1 ZINC000736380408 599151369 /nfs/dbraw/zinc/15/13/69/599151369.db2.gz GDYSFDNIKHBDJR-HNNXBMFYSA-N -1 1 323.356 2.878 20 0 DFADMM CC[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(C)cc1 ZINC000736380408 599151370 /nfs/dbraw/zinc/15/13/70/599151370.db2.gz GDYSFDNIKHBDJR-HNNXBMFYSA-N -1 1 323.356 2.878 20 0 DFADMM Clc1nsc(N2CCC[C@@H]2c2ccco2)c1-c1nnn[n-]1 ZINC000737584985 599170347 /nfs/dbraw/zinc/17/03/47/599170347.db2.gz VJVVQDKBJZIYQI-SSDOTTSWSA-N -1 1 322.781 2.911 20 0 DFADMM Clc1nsc(N2CCC[C@@H]2c2ccco2)c1-c1nn[n-]n1 ZINC000737584985 599170348 /nfs/dbraw/zinc/17/03/48/599170348.db2.gz VJVVQDKBJZIYQI-SSDOTTSWSA-N -1 1 322.781 2.911 20 0 DFADMM O=C([O-])c1ccc(CNC(=O)c2c[nH]c3ccccc3c2=O)cc1 ZINC000324064539 597147146 /nfs/dbraw/zinc/14/71/46/597147146.db2.gz XCELROPVJNFKKO-UHFFFAOYSA-N -1 1 322.320 2.569 20 0 DFADMM COc1c(Cl)cccc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000821698482 607311479 /nfs/dbraw/zinc/31/14/79/607311479.db2.gz MHRXPPGRJBTRKZ-UHFFFAOYSA-N -1 1 305.725 2.734 20 0 DFADMM COc1c(Cl)cccc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000821698482 607311480 /nfs/dbraw/zinc/31/14/80/607311480.db2.gz MHRXPPGRJBTRKZ-UHFFFAOYSA-N -1 1 305.725 2.734 20 0 DFADMM COc1cc(C)ccc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000821712136 607313022 /nfs/dbraw/zinc/31/30/22/607313022.db2.gz DFBWONDFWFYUTJ-UHFFFAOYSA-N -1 1 301.375 2.857 20 0 DFADMM Cc1cccc(-c2nnc([C@H](C)N3CC[C@H](C(=O)[O-])C3)o2)c1 ZINC000818936081 597530323 /nfs/dbraw/zinc/53/03/23/597530323.db2.gz OBWAPOGUUPQWJE-AAEUAGOBSA-N -1 1 301.346 2.513 20 0 DFADMM CCOc1c(CN2CCC(C(=O)[O-])CC2)c(C)nn1CC(C)C ZINC000820383468 598119630 /nfs/dbraw/zinc/11/96/30/598119630.db2.gz ZCRMQQJECCWVQI-UHFFFAOYSA-N -1 1 323.437 2.543 20 0 DFADMM CCOc1c(Cl)cc(CN2CC[C@@H](C(=O)[O-])C2)cc1OC ZINC000820383475 598129340 /nfs/dbraw/zinc/12/93/40/598129340.db2.gz ZIJRGRQQSAOACL-LLVKDONJSA-N -1 1 313.781 2.654 20 0 DFADMM O=C([O-])Cc1ccccc1NC(=O)c1c(O)cccc1Cl ZINC000821538724 598146092 /nfs/dbraw/zinc/14/60/92/598146092.db2.gz OPOIFHGMLHOXLY-UHFFFAOYSA-N -1 1 305.717 2.925 20 0 DFADMM COc1ccc(-c2cc(CN[C@@H](C(=O)[O-])C(C)C)on2)cc1 ZINC000820805358 598189799 /nfs/dbraw/zinc/18/97/99/598189799.db2.gz VKHVWUOSMXHTES-OAHLLOKOSA-N -1 1 304.346 2.549 20 0 DFADMM COc1c(C)cnc(CNCc2cccc(C(=O)[O-])c2)c1C ZINC000820755332 598203398 /nfs/dbraw/zinc/20/33/98/598203398.db2.gz ZXGAWICKYPDMRH-UHFFFAOYSA-N -1 1 300.358 2.695 20 0 DFADMM C[C@H](CC(=O)[O-])Nc1cccc(CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000820089412 598217840 /nfs/dbraw/zinc/21/78/40/598217840.db2.gz PMUDNDZUMFWIPS-MGPQQGTHSA-N -1 1 306.406 2.571 20 0 DFADMM Clc1cccc(CSc2nccnc2-c2nn[n-]n2)c1 ZINC000737573259 598348605 /nfs/dbraw/zinc/34/86/05/598348605.db2.gz DRQMUFOSUGRGAT-UHFFFAOYSA-N -1 1 304.766 2.602 20 0 DFADMM CC(C)(C)c1ccc(CNc2nccnc2-c2nnn[n-]2)cc1 ZINC000735648446 598348957 /nfs/dbraw/zinc/34/89/57/598348957.db2.gz FFZUTOIOULWFRW-UHFFFAOYSA-N -1 1 309.377 2.566 20 0 DFADMM CC(C)(C)c1ccc(CNc2nccnc2-c2nn[n-]n2)cc1 ZINC000735648446 598348959 /nfs/dbraw/zinc/34/89/59/598348959.db2.gz FFZUTOIOULWFRW-UHFFFAOYSA-N -1 1 309.377 2.566 20 0 DFADMM CC(C)(C)SCCNc1snc(Cl)c1-c1nnn[n-]1 ZINC000735643261 598457393 /nfs/dbraw/zinc/45/73/93/598457393.db2.gz LUUJDZTZDQCELJ-UHFFFAOYSA-N -1 1 318.859 2.920 20 0 DFADMM CC(C)(C)SCCNc1snc(Cl)c1-c1nn[n-]n1 ZINC000735643261 598457394 /nfs/dbraw/zinc/45/73/94/598457394.db2.gz LUUJDZTZDQCELJ-UHFFFAOYSA-N -1 1 318.859 2.920 20 0 DFADMM O=C1Nc2cc(Cl)ccc2C1=Cc1ccc(-c2nnn[n-]2)o1 ZINC000823548115 599378498 /nfs/dbraw/zinc/37/84/98/599378498.db2.gz UBCYSCXMXLABCJ-UXBLZVDNSA-N -1 1 313.704 2.606 20 0 DFADMM O=C1Nc2cc(Cl)ccc2C1=Cc1ccc(-c2nn[n-]n2)o1 ZINC000823548115 599378501 /nfs/dbraw/zinc/37/85/01/599378501.db2.gz UBCYSCXMXLABCJ-UXBLZVDNSA-N -1 1 313.704 2.606 20 0 DFADMM O=C1Nc2ccc(Cl)cc2C1=Cc1ccc(-c2nnn[n-]2)o1 ZINC000823546705 599378659 /nfs/dbraw/zinc/37/86/59/599378659.db2.gz DOMAEMWHEVCJTA-UXBLZVDNSA-N -1 1 313.704 2.606 20 0 DFADMM O=C1Nc2ccc(Cl)cc2C1=Cc1ccc(-c2nn[n-]n2)o1 ZINC000823546705 599378661 /nfs/dbraw/zinc/37/86/61/599378661.db2.gz DOMAEMWHEVCJTA-UXBLZVDNSA-N -1 1 313.704 2.606 20 0 DFADMM C[C@H](OCCCNc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000736163747 599398593 /nfs/dbraw/zinc/39/85/93/599398593.db2.gz JUCQLTHJKFMFNV-ZDUSSCGKSA-N -1 1 324.388 2.842 20 0 DFADMM C[C@H](OCCCNc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000736163747 599398597 /nfs/dbraw/zinc/39/85/97/599398597.db2.gz JUCQLTHJKFMFNV-ZDUSSCGKSA-N -1 1 324.388 2.842 20 0 DFADMM COc1ccc(Cl)cc1CNc1cccc(-c2nnn[n-]2)n1 ZINC000737100069 599411288 /nfs/dbraw/zinc/41/12/88/599411288.db2.gz RHDFSSLFRUNQIR-UHFFFAOYSA-N -1 1 316.752 2.536 20 0 DFADMM COc1ccc(Cl)cc1CNc1cccc(-c2nn[n-]n2)n1 ZINC000737100069 599411290 /nfs/dbraw/zinc/41/12/90/599411290.db2.gz RHDFSSLFRUNQIR-UHFFFAOYSA-N -1 1 316.752 2.536 20 0 DFADMM Cc1cc(C)c(CCNc2cccc(-c3nnn[n-]3)n2)c(C)c1 ZINC000737247295 599412045 /nfs/dbraw/zinc/41/20/45/599412045.db2.gz UNPJRTWFHWBWKW-UHFFFAOYSA-N -1 1 308.389 2.842 20 0 DFADMM Cc1cc(C)c(CCNc2cccc(-c3nn[n-]n3)n2)c(C)c1 ZINC000737247295 599412048 /nfs/dbraw/zinc/41/20/48/599412048.db2.gz UNPJRTWFHWBWKW-UHFFFAOYSA-N -1 1 308.389 2.842 20 0 DFADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1c(F)cccc1F ZINC000736138961 599413787 /nfs/dbraw/zinc/41/37/87/599413787.db2.gz SPHYUSZRHNGTEC-QMMMGPOBSA-N -1 1 302.288 2.713 20 0 DFADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1c(F)cccc1F ZINC000736138961 599413790 /nfs/dbraw/zinc/41/37/90/599413790.db2.gz SPHYUSZRHNGTEC-QMMMGPOBSA-N -1 1 302.288 2.713 20 0 DFADMM C[C@@H](CNc1cccc(-c2nnn[n-]2)n1)COCc1ccccc1 ZINC000736024882 599416002 /nfs/dbraw/zinc/41/60/02/599416002.db2.gz AYEBCMKYILRFKV-ZDUSSCGKSA-N -1 1 324.388 2.527 20 0 DFADMM C[C@@H](CNc1cccc(-c2nn[n-]n2)n1)COCc1ccccc1 ZINC000736024882 599416003 /nfs/dbraw/zinc/41/60/03/599416003.db2.gz AYEBCMKYILRFKV-ZDUSSCGKSA-N -1 1 324.388 2.527 20 0 DFADMM C[C@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)c1ccccn1 ZINC000736136990 599499684 /nfs/dbraw/zinc/49/96/84/599499684.db2.gz IHZVPWXPFPSYSV-NSHDSACASA-N -1 1 317.356 2.983 20 0 DFADMM C[C@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)c1ccccn1 ZINC000736136990 599499687 /nfs/dbraw/zinc/49/96/87/599499687.db2.gz IHZVPWXPFPSYSV-NSHDSACASA-N -1 1 317.356 2.983 20 0 DFADMM CN(Cc1ccoc1C(=O)[O-])C[C@H]1OCCc2ccccc21 ZINC000737494939 599719419 /nfs/dbraw/zinc/71/94/19/599719419.db2.gz GOMFEADROQYGJZ-OAHLLOKOSA-N -1 1 301.342 2.724 20 0 DFADMM O=C([O-])C[C@@H]1CCCCN1Cn1c(=O)oc2cc(Cl)ccc21 ZINC000739638856 599840694 /nfs/dbraw/zinc/84/06/94/599840694.db2.gz CRXZILJEPJVQBA-NSHDSACASA-N -1 1 324.764 2.535 20 0 DFADMM O=C([O-])c1sccc1NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000035306451 599873093 /nfs/dbraw/zinc/87/30/93/599873093.db2.gz OJUZCURRMXXGJK-UHFFFAOYSA-N -1 1 319.310 2.525 20 0 DFADMM Cc1c(Cl)cccc1NC(=O)CN(C[C@H](C)C(=O)[O-])C1CC1 ZINC000738291646 599948836 /nfs/dbraw/zinc/94/88/36/599948836.db2.gz WJXUOPFGOXYVJE-JTQLQIEISA-N -1 1 324.808 2.772 20 0 DFADMM CCN(CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)C(C)C ZINC000737069229 600128090 /nfs/dbraw/zinc/12/80/90/600128090.db2.gz FCCJBVYXTZOYQS-UHFFFAOYSA-N -1 1 310.419 2.604 20 0 DFADMM CC(C)N(C(=O)CNC1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC000736455066 600148842 /nfs/dbraw/zinc/14/88/42/600148842.db2.gz MHUXZPVTTQPTCA-UHFFFAOYSA-N -1 1 318.417 2.805 20 0 DFADMM O=C([O-])C1(NCC(=O)Nc2ccc(Cl)cc2)CCCCC1 ZINC000739308405 600149721 /nfs/dbraw/zinc/14/97/21/600149721.db2.gz JKIXVCRCEYZNSX-UHFFFAOYSA-N -1 1 310.781 2.656 20 0 DFADMM CCN(CC(=O)Nc1sc(C)c(C)c1C(=O)[O-])C1CCC1 ZINC000737069615 600433043 /nfs/dbraw/zinc/43/30/43/600433043.db2.gz LQUWLNVYZSMGDW-UHFFFAOYSA-N -1 1 310.419 2.876 20 0 DFADMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000736717146 600500845 /nfs/dbraw/zinc/50/08/45/600500845.db2.gz LGFUTOVAOLSDAT-STQMWFEESA-N -1 1 320.389 2.516 20 0 DFADMM CCN(CC)C(=O)C1(NCc2occc2C(=O)[O-])CCCCC1 ZINC000737078481 600556294 /nfs/dbraw/zinc/55/62/94/600556294.db2.gz MNFCHWXHYQLOEZ-UHFFFAOYSA-N -1 1 322.405 2.639 20 0 DFADMM CC[C@@](C)(NCC(=O)Nc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000736862941 600563803 /nfs/dbraw/zinc/56/38/03/600563803.db2.gz HBSQKRMGAVWCGJ-QGZVFWFLSA-N -1 1 306.406 2.766 20 0 DFADMM CCN(CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)CC1CC1 ZINC000737069393 600613463 /nfs/dbraw/zinc/61/34/63/600613463.db2.gz HYZACZDLTDZXQQ-UHFFFAOYSA-N -1 1 322.430 2.605 20 0 DFADMM Cc1ccc2nc(CN[C@@H](C(=O)[O-])c3ccccc3F)[nH]c2c1 ZINC000832958654 600695391 /nfs/dbraw/zinc/69/53/91/600695391.db2.gz FKNGVUDWHBGAFF-MRXNPFEDSA-N -1 1 313.332 2.926 20 0 DFADMM C[C@@H]1CN(Cn2ncc3cc(C(=O)[O-])ccc32)C[C@@H](C)S1 ZINC000828470369 600713668 /nfs/dbraw/zinc/71/36/68/600713668.db2.gz GCIYRUYYTRRJDU-GHMZBOCLSA-N -1 1 305.403 2.518 20 0 DFADMM CC(C)[C@H](C(=O)OCc1ccc(C(=O)[O-])cc1)N1CCCC1 ZINC000736348921 600735088 /nfs/dbraw/zinc/73/50/88/600735088.db2.gz DRYAHIZAIKEASR-OAHLLOKOSA-N -1 1 305.374 2.548 20 0 DFADMM C[C@@H](C(=O)OCc1cccc(C(=O)[O-])c1)N1[C@H](C)CC[C@H]1C ZINC000736764902 600736552 /nfs/dbraw/zinc/73/65/52/600736552.db2.gz XSQXWYXRDLESRT-UPJWGTAASA-N -1 1 305.374 2.689 20 0 DFADMM C[C@@H](C(=O)OCc1ccc(F)cc1C(=O)[O-])N1CCCCCC1 ZINC000736226685 600737374 /nfs/dbraw/zinc/73/73/74/600737374.db2.gz LCZDOVKHFJPWCT-LBPRGKRZSA-N -1 1 323.364 2.832 20 0 DFADMM CC(=O)Nc1cccc(CN[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000825913565 600737823 /nfs/dbraw/zinc/73/78/23/600737823.db2.gz UNDXAPWOMAKNOT-INIZCTEOSA-N -1 1 316.332 2.700 20 0 DFADMM 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DFADMM COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1CC[C@@H](C(C)(C)C)C1 ZINC000833702251 605429563 /nfs/dbraw/zinc/42/95/63/605429563.db2.gz RTXPBSOWTTYVKS-CABCVRRESA-N -1 1 319.401 2.967 20 0 DFADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cc3ccc(Cl)cn3)C[C@H]21 ZINC000834184943 605456122 /nfs/dbraw/zinc/45/61/22/605456122.db2.gz SIKCITISSXVZFI-LERXQTSPSA-N -1 1 309.797 2.603 20 0 DFADMM O=C([O-])N[C@@H]1CCC[C@H]2CN(Cc3csc(C4CC4)n3)C[C@@H]21 ZINC000834181938 605458984 /nfs/dbraw/zinc/45/89/84/605458984.db2.gz MSJPSRDVXBVVED-FPMFFAJLSA-N -1 1 321.446 2.889 20 0 DFADMM Cn1cccc1[C@@H]1CCCN1Cc1ccc(NC(=O)[O-])nc1 ZINC000833952678 605463935 /nfs/dbraw/zinc/46/39/35/605463935.db2.gz OSPNQKPKBNQKSK-AWEZNQCLSA-N -1 1 300.362 2.847 20 0 DFADMM O=C([O-])NCC1CCN(Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000834226606 605490298 /nfs/dbraw/zinc/49/02/98/605490298.db2.gz YVDRLDIACJUSBX-UHFFFAOYSA-N -1 1 314.389 2.556 20 0 DFADMM Cc1cc(CN2CCO[C@@H](C(C)C)C2)cc(C)c1OCC(=O)[O-] ZINC000833745515 605492595 /nfs/dbraw/zinc/49/25/95/605492595.db2.gz LXWWMWNTJFPQRA-MRXNPFEDSA-N -1 1 321.417 2.624 20 0 DFADMM O=C([O-])N[C@@H]1CCN(Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000834189223 605568895 /nfs/dbraw/zinc/56/88/95/605568895.db2.gz IOHZSDHJYJIXBD-OAHLLOKOSA-N -1 1 315.348 2.730 20 0 DFADMM O=C([O-])NC[C@H]1CCN(Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000834226638 605577569 /nfs/dbraw/zinc/57/75/69/605577569.db2.gz ZSFUFKMYNOAASK-SECBINFHSA-N -1 1 320.286 2.934 20 0 DFADMM Cc1cccn2c(CN3CCC([C@H](C)NC(=O)[O-])CC3)cnc12 ZINC000833910471 605585953 /nfs/dbraw/zinc/58/59/53/605585953.db2.gz WQSORHXHEAELJM-ZDUSSCGKSA-N -1 1 316.405 2.511 20 0 DFADMM Cc1cncc(CN[C@@H](C)c2ccc(CNC(=O)[O-])nc2C)c1 ZINC000833912934 605648353 /nfs/dbraw/zinc/64/83/53/605648353.db2.gz VULDUNHXVJGIDX-LBPRGKRZSA-N -1 1 314.389 2.712 20 0 DFADMM O=C([O-])NC[C@H](NCc1noc2c1CCCC2)C1CCCCC1 ZINC000834205665 605666851 /nfs/dbraw/zinc/66/68/51/605666851.db2.gz FVDDWQBQOHSHSO-AWEZNQCLSA-N -1 1 321.421 2.860 20 0 DFADMM O=C([O-])N1CC[C@@H](N(Cc2ccc3ccccc3n2)C2CC2)C1 ZINC000834086729 605777093 /nfs/dbraw/zinc/77/70/93/605777093.db2.gz ZTRNHZUZFWSYBF-MRXNPFEDSA-N -1 1 311.385 2.952 20 0 DFADMM Cc1noc(C)c1CN[C@@H]1C[C@@H](NC(=O)[O-])c2ccccc21 ZINC000833933048 605793634 /nfs/dbraw/zinc/79/36/34/605793634.db2.gz USSZTVBJUMZFRJ-HUUCEWRRSA-N -1 1 301.346 2.835 20 0 DFADMM O=C([O-])N[C@@H]1C[C@@H](N[C@@H](CO)c2ccccc2)c2ccccc21 ZINC000834156499 605801506 /nfs/dbraw/zinc/80/15/06/605801506.db2.gz AWFSLAQEKGWDCO-ZACQAIPSSA-N -1 1 312.369 2.763 20 0 DFADMM Cc1nnc(CN[C@H](C)C[C@@H]2CCCCCN2C(=O)[O-])s1 ZINC000833925322 605809616 /nfs/dbraw/zinc/80/96/16/605809616.db2.gz DGGBLKQQBGGOQK-PWSUYJOCSA-N -1 1 312.439 2.637 20 0 DFADMM C[C@@H](C(=O)OCc1cc(C(=O)[O-])ccc1F)N1CCCCCC1 ZINC000833409454 605815134 /nfs/dbraw/zinc/81/51/34/605815134.db2.gz MGGZEZNTLWMYLK-LBPRGKRZSA-N -1 1 323.364 2.832 20 0 DFADMM C[C@@H](CCc1cccc(F)c1)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000833818070 606030149 /nfs/dbraw/zinc/03/01/49/606030149.db2.gz JKQHPWAFBROLKS-HEHGZKQESA-N -1 1 324.396 2.504 20 0 DFADMM Clc1nsc(N2C[C@H]3CCCC[C@@H]3C2)c1-c1nnn[n-]1 ZINC000822591109 606105346 /nfs/dbraw/zinc/10/53/46/606105346.db2.gz RBRCIHKPLQBLCW-HTQZYQBOSA-N -1 1 310.814 2.603 20 0 DFADMM Clc1nsc(N2C[C@H]3CCCC[C@@H]3C2)c1-c1nn[n-]n1 ZINC000822591109 606105347 /nfs/dbraw/zinc/10/53/47/606105347.db2.gz RBRCIHKPLQBLCW-HTQZYQBOSA-N -1 1 310.814 2.603 20 0 DFADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccc(F)c1 ZINC000820512513 606138883 /nfs/dbraw/zinc/13/88/83/606138883.db2.gz LSRUTJBSFOIFHN-QMMMGPOBSA-N -1 1 318.333 2.985 20 0 DFADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)c1cccc(F)c1 ZINC000820512513 606138884 /nfs/dbraw/zinc/13/88/84/606138884.db2.gz LSRUTJBSFOIFHN-QMMMGPOBSA-N -1 1 318.333 2.985 20 0 DFADMM CCO[C@H](CCNc1cccc(-c2nnn[n-]2)n1)C1CCCC1 ZINC000821352151 606143759 /nfs/dbraw/zinc/14/37/59/606143759.db2.gz YBZLJRTYKCCLHC-CQSZACIVSA-N -1 1 316.409 2.659 20 0 DFADMM CCO[C@H](CCNc1cccc(-c2nn[n-]n2)n1)C1CCCC1 ZINC000821352151 606143760 /nfs/dbraw/zinc/14/37/60/606143760.db2.gz YBZLJRTYKCCLHC-CQSZACIVSA-N -1 1 316.409 2.659 20 0 DFADMM O=Cc1ccc(Oc2ncccc2-c2nn[n-]n2)c(Cl)c1 ZINC000823556915 606431096 /nfs/dbraw/zinc/43/10/96/606431096.db2.gz BMDGAKOXYAANMO-UHFFFAOYSA-N -1 1 301.693 2.520 20 0 DFADMM COc1ccc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000821837589 606439045 /nfs/dbraw/zinc/43/90/45/606439045.db2.gz DWIQQMMRFQOUEL-UHFFFAOYSA-N -1 1 302.725 2.667 20 0 DFADMM COc1ccc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000821837589 606439047 /nfs/dbraw/zinc/43/90/47/606439047.db2.gz DWIQQMMRFQOUEL-UHFFFAOYSA-N -1 1 302.725 2.667 20 0 DFADMM Cc1cc(F)ccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822205901 606490395 /nfs/dbraw/zinc/49/03/95/606490395.db2.gz MXNDICJGMOCITL-UHFFFAOYSA-N -1 1 303.322 2.628 20 0 DFADMM Cc1cc(F)ccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822205901 606490396 /nfs/dbraw/zinc/49/03/96/606490396.db2.gz MXNDICJGMOCITL-UHFFFAOYSA-N -1 1 303.322 2.628 20 0 DFADMM CC(C)CCN(C(=O)c1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC000820074114 606502878 /nfs/dbraw/zinc/50/28/78/606502878.db2.gz ZNEFXSBQYKYPRJ-UHFFFAOYSA-N -1 1 305.407 2.579 20 0 DFADMM CC(C)CCN(C(=O)c1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC000820074114 606502880 /nfs/dbraw/zinc/50/28/80/606502880.db2.gz ZNEFXSBQYKYPRJ-UHFFFAOYSA-N -1 1 305.407 2.579 20 0 DFADMM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820697726 606503358 /nfs/dbraw/zinc/50/33/58/606503358.db2.gz LALUAZSXRBIEEC-UWVGGRQHSA-N -1 1 305.407 2.579 20 0 DFADMM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820697726 606503360 /nfs/dbraw/zinc/50/33/60/606503360.db2.gz LALUAZSXRBIEEC-UWVGGRQHSA-N -1 1 305.407 2.579 20 0 DFADMM O=C(c1ccc(-c2nnn[n-]2)s1)N(C1CC1)C1CCCCC1 ZINC000823478096 606506099 /nfs/dbraw/zinc/50/60/99/606506099.db2.gz GIQRMGVFLXEYNH-UHFFFAOYSA-N -1 1 317.418 2.866 20 0 DFADMM O=C(c1ccc(-c2nn[n-]n2)s1)N(C1CC1)C1CCCCC1 ZINC000823478096 606506101 /nfs/dbraw/zinc/50/61/01/606506101.db2.gz GIQRMGVFLXEYNH-UHFFFAOYSA-N -1 1 317.418 2.866 20 0 DFADMM CC(C)C[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820068294 606542389 /nfs/dbraw/zinc/54/23/89/606542389.db2.gz QFXMRIQYNPMWOL-SNVBAGLBSA-N -1 1 305.407 2.579 20 0 DFADMM CC(C)C[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820068294 606542390 /nfs/dbraw/zinc/54/23/90/606542390.db2.gz QFXMRIQYNPMWOL-SNVBAGLBSA-N -1 1 305.407 2.579 20 0 DFADMM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821034062 606576085 /nfs/dbraw/zinc/57/60/85/606576085.db2.gz IGBXIFZPCLCDSL-QWRGUYRKSA-N -1 1 319.434 2.969 20 0 DFADMM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821034062 606576087 /nfs/dbraw/zinc/57/60/87/606576087.db2.gz IGBXIFZPCLCDSL-QWRGUYRKSA-N -1 1 319.434 2.969 20 0 DFADMM c1cc(-c2nc(CCc3ccccc3)no2)sc1-c1nnn[n-]1 ZINC000823780196 606620805 /nfs/dbraw/zinc/62/08/05/606620805.db2.gz PONAWVCJCVICEV-UHFFFAOYSA-N -1 1 324.369 2.763 20 0 DFADMM c1cc(-c2nc(CCc3ccccc3)no2)sc1-c1nn[n-]n1 ZINC000823780196 606620807 /nfs/dbraw/zinc/62/08/07/606620807.db2.gz PONAWVCJCVICEV-UHFFFAOYSA-N -1 1 324.369 2.763 20 0 DFADMM CC(C)(C)CCCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000819906416 606650926 /nfs/dbraw/zinc/65/09/26/606650926.db2.gz GFJKUDMJQKXUHZ-UHFFFAOYSA-N -1 1 303.366 2.521 20 0 DFADMM CC(C)(C)CCCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000819906416 606650927 /nfs/dbraw/zinc/65/09/27/606650927.db2.gz GFJKUDMJQKXUHZ-UHFFFAOYSA-N -1 1 303.366 2.521 20 0 DFADMM O=C(Nc1cccc2ccncc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823366964 606692960 /nfs/dbraw/zinc/69/29/60/606692960.db2.gz BDVKJXCWVURVIY-UHFFFAOYSA-N -1 1 322.353 2.729 20 0 DFADMM O=C(Nc1cccc2ccncc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823366964 606692961 /nfs/dbraw/zinc/69/29/61/606692961.db2.gz BDVKJXCWVURVIY-UHFFFAOYSA-N -1 1 322.353 2.729 20 0 DFADMM C[C@H]1CCC[C@H](CCOC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000820697883 606826017 /nfs/dbraw/zinc/82/60/17/606826017.db2.gz NOXJOSLNWSGICD-NWDGAFQWSA-N -1 1 315.377 2.635 20 0 DFADMM C[C@H]1CCC[C@H](CCOC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000820697883 606826018 /nfs/dbraw/zinc/82/60/18/606826018.db2.gz NOXJOSLNWSGICD-NWDGAFQWSA-N -1 1 315.377 2.635 20 0 DFADMM Fc1ccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)nc1 ZINC000822771208 606881927 /nfs/dbraw/zinc/88/19/27/606881927.db2.gz DZLMAGYUVOBHTI-UHFFFAOYSA-N -1 1 321.319 2.561 20 0 DFADMM Fc1ccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)nc1 ZINC000822771208 606881930 /nfs/dbraw/zinc/88/19/30/606881930.db2.gz DZLMAGYUVOBHTI-UHFFFAOYSA-N -1 1 321.319 2.561 20 0 DFADMM CC(C)c1ccsc1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000820197876 607107753 /nfs/dbraw/zinc/10/77/53/607107753.db2.gz OKUMDRCTJCGHFF-UHFFFAOYSA-N -1 1 320.403 2.760 20 0 DFADMM CC(C)c1ccsc1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000820197876 607107755 /nfs/dbraw/zinc/10/77/55/607107755.db2.gz OKUMDRCTJCGHFF-UHFFFAOYSA-N -1 1 320.403 2.760 20 0 DFADMM C[C@@H](CC(=O)Nc1ncc(-c2nnn[n-]2)s1)C1CCCCC1 ZINC000820225315 607109265 /nfs/dbraw/zinc/10/92/65/607109265.db2.gz GDPLEAGAVQWXRE-VIFPVBQESA-N -1 1 320.422 2.868 20 0 DFADMM C[C@@H](CC(=O)Nc1ncc(-c2nn[n-]n2)s1)C1CCCCC1 ZINC000820225315 607109266 /nfs/dbraw/zinc/10/92/66/607109266.db2.gz GDPLEAGAVQWXRE-VIFPVBQESA-N -1 1 320.422 2.868 20 0 DFADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1cc(F)ccc1F ZINC000824663240 607896306 /nfs/dbraw/zinc/89/63/06/607896306.db2.gz XBCFMPRTOCQRCX-MRVPVSSYSA-N -1 1 302.288 2.713 20 0 DFADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1cc(F)ccc1F ZINC000824663240 607896307 /nfs/dbraw/zinc/89/63/07/607896307.db2.gz XBCFMPRTOCQRCX-MRVPVSSYSA-N -1 1 302.288 2.713 20 0 DFADMM c1nc(CNc2cccc(-c3nnn[n-]3)n2)oc1-c1ccccc1 ZINC000826519097 607896812 /nfs/dbraw/zinc/89/68/12/607896812.db2.gz JXPWZWYXFCKLFC-UHFFFAOYSA-N -1 1 319.328 2.529 20 0 DFADMM c1nc(CNc2cccc(-c3nn[n-]n3)n2)oc1-c1ccccc1 ZINC000826519097 607896813 /nfs/dbraw/zinc/89/68/13/607896813.db2.gz JXPWZWYXFCKLFC-UHFFFAOYSA-N -1 1 319.328 2.529 20 0 DFADMM C[C@H](c1c(F)cccc1F)N(C)c1cccc(-c2nnn[n-]2)n1 ZINC000824763949 607897079 /nfs/dbraw/zinc/89/70/79/607897079.db2.gz QSPVWZLFARRBBS-SECBINFHSA-N -1 1 316.315 2.737 20 0 DFADMM C[C@H](c1c(F)cccc1F)N(C)c1cccc(-c2nn[n-]n2)n1 ZINC000824763949 607897080 /nfs/dbraw/zinc/89/70/80/607897080.db2.gz QSPVWZLFARRBBS-SECBINFHSA-N -1 1 316.315 2.737 20 0 DFADMM Fc1cccc([C@@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)c1 ZINC000826376840 607897819 /nfs/dbraw/zinc/89/78/19/607897819.db2.gz VCSSFAPKQCFDHN-AWEZNQCLSA-N -1 1 310.336 2.742 20 0 DFADMM Fc1cccc([C@@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)c1 ZINC000826376840 607897820 /nfs/dbraw/zinc/89/78/20/607897820.db2.gz VCSSFAPKQCFDHN-AWEZNQCLSA-N -1 1 310.336 2.742 20 0 DFADMM CC(C)N(C)c1cccc(Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC000824289256 607898761 /nfs/dbraw/zinc/89/87/61/607898761.db2.gz YOEDLHHNMAJZEI-UHFFFAOYSA-N -1 1 309.377 2.850 20 0 DFADMM CC(C)N(C)c1cccc(Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC000824289256 607898762 /nfs/dbraw/zinc/89/87/62/607898762.db2.gz YOEDLHHNMAJZEI-UHFFFAOYSA-N -1 1 309.377 2.850 20 0 DFADMM COc1ccc(C[C@H](C)CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826191873 607968170 /nfs/dbraw/zinc/96/81/70/607968170.db2.gz SEOVWXSUVAZFJD-LBPRGKRZSA-N -1 1 324.388 2.561 20 0 DFADMM COc1ccc(C[C@H](C)CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826191873 607968171 /nfs/dbraw/zinc/96/81/71/607968171.db2.gz SEOVWXSUVAZFJD-LBPRGKRZSA-N -1 1 324.388 2.561 20 0 DFADMM O=Cc1cccc(Oc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000826483942 608169793 /nfs/dbraw/zinc/16/97/93/608169793.db2.gz GUDYVWYNJAFHEU-UHFFFAOYSA-N -1 1 307.722 2.581 20 0 DFADMM Clc1nsc(Nc2ccc3n[nH]cc3c2)c1-c1nnn[n-]1 ZINC000826354460 608171237 /nfs/dbraw/zinc/17/12/37/608171237.db2.gz FONPCMQOSBUGNM-UHFFFAOYSA-N -1 1 318.753 2.597 20 0 DFADMM Clc1nsc(Nc2ccc3n[nH]cc3c2)c1-c1nn[n-]n1 ZINC000826354460 608171238 /nfs/dbraw/zinc/17/12/38/608171238.db2.gz FONPCMQOSBUGNM-UHFFFAOYSA-N -1 1 318.753 2.597 20 0 DFADMM C[C@@H]1CCC[C@@H](C)N(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000824927431 608185160 /nfs/dbraw/zinc/18/51/60/608185160.db2.gz OGLVQMUDZJROAE-HTQZYQBOSA-N -1 1 312.830 2.992 20 0 DFADMM C[C@@H]1CCC[C@@H](C)N(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000824927431 608185161 /nfs/dbraw/zinc/18/51/61/608185161.db2.gz OGLVQMUDZJROAE-HTQZYQBOSA-N -1 1 312.830 2.992 20 0 DFADMM CCC1(CC)[C@H](Nc2cccc(-c3nnn[n-]3)n2)[C@H](C)[C@@H]1OC ZINC000825171533 608197120 /nfs/dbraw/zinc/19/71/20/608197120.db2.gz RJIYMVMQLXKMMA-GDLCADMTSA-N -1 1 316.409 2.513 20 0 DFADMM CCC1(CC)[C@H](Nc2cccc(-c3nn[n-]n3)n2)[C@H](C)[C@@H]1OC ZINC000825171533 608197123 /nfs/dbraw/zinc/19/71/23/608197123.db2.gz RJIYMVMQLXKMMA-GDLCADMTSA-N -1 1 316.409 2.513 20 0 DFADMM CC(C)[C@H]1CCCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000824214946 608227728 /nfs/dbraw/zinc/22/77/28/608227728.db2.gz IRKCGNQYLNKVJP-MRVPVSSYSA-N -1 1 312.830 2.992 20 0 DFADMM CC(C)[C@H]1CCCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000824214946 608227729 /nfs/dbraw/zinc/22/77/29/608227729.db2.gz IRKCGNQYLNKVJP-MRVPVSSYSA-N -1 1 312.830 2.992 20 0 DFADMM CC(C)[C@H]1CCCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000824216874 608227803 /nfs/dbraw/zinc/22/78/03/608227803.db2.gz WOKVDDJWEFSVFM-LLVKDONJSA-N -1 1 306.801 2.930 20 0 DFADMM CC(C)[C@H]1CCCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000824216874 608227805 /nfs/dbraw/zinc/22/78/05/608227805.db2.gz WOKVDDJWEFSVFM-LLVKDONJSA-N -1 1 306.801 2.930 20 0 DFADMM CC(C)[C@@H]1C[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CCO1 ZINC000824214693 608242103 /nfs/dbraw/zinc/24/21/03/608242103.db2.gz HGZAGBKVWVNGSU-ONGXEEELSA-N -1 1 322.800 2.531 20 0 DFADMM CC(C)[C@@H]1C[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CCO1 ZINC000824214693 608242105 /nfs/dbraw/zinc/24/21/05/608242105.db2.gz HGZAGBKVWVNGSU-ONGXEEELSA-N -1 1 322.800 2.531 20 0 DFADMM c1ccc(C2(CNc3ccc(-c4nnn[n-]4)nn3)CCCC2)cc1 ZINC000826520373 608394104 /nfs/dbraw/zinc/39/41/04/608394104.db2.gz IBAPIIQKINTVLE-UHFFFAOYSA-N -1 1 321.388 2.581 20 0 DFADMM c1ccc(C2(CNc3ccc(-c4nn[n-]n4)nn3)CCCC2)cc1 ZINC000826520373 608394105 /nfs/dbraw/zinc/39/41/05/608394105.db2.gz IBAPIIQKINTVLE-UHFFFAOYSA-N -1 1 321.388 2.581 20 0 DFADMM C[C@@H](c1cc2ccccc2o1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824764518 608394640 /nfs/dbraw/zinc/39/46/40/608394640.db2.gz WXBIIICXPIJUOO-JTQLQIEISA-N -1 1 321.344 2.600 20 0 DFADMM C[C@@H](c1cc2ccccc2o1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824764518 608394642 /nfs/dbraw/zinc/39/46/42/608394642.db2.gz WXBIIICXPIJUOO-JTQLQIEISA-N -1 1 321.344 2.600 20 0 DFADMM Cc1cc([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)c(C)s1 ZINC000826262076 608396775 /nfs/dbraw/zinc/39/67/75/608396775.db2.gz DKFGVIZRNJDYAG-MRVPVSSYSA-N -1 1 301.379 2.508 20 0 DFADMM Cc1cc([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)c(C)s1 ZINC000826262076 608396776 /nfs/dbraw/zinc/39/67/76/608396776.db2.gz DKFGVIZRNJDYAG-MRVPVSSYSA-N -1 1 301.379 2.508 20 0 DFADMM CCCCOc1cccc(Nc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000825296815 608403136 /nfs/dbraw/zinc/40/31/36/608403136.db2.gz VXIBSOSYGCZRPL-UHFFFAOYSA-N -1 1 311.349 2.579 20 0 DFADMM CCCCOc1cccc(Nc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000825296815 608403137 /nfs/dbraw/zinc/40/31/37/608403137.db2.gz VXIBSOSYGCZRPL-UHFFFAOYSA-N -1 1 311.349 2.579 20 0 DFADMM CC[C@@H](c1ccccc1)N(CC)c1ccc(-c2nnn[n-]2)nn1 ZINC000825158833 608406843 /nfs/dbraw/zinc/40/68/43/608406843.db2.gz BSIUZDOOSGIETE-AWEZNQCLSA-N -1 1 309.377 2.634 20 0 DFADMM CC[C@@H](c1ccccc1)N(CC)c1ccc(-c2nn[n-]n2)nn1 ZINC000825158833 608406846 /nfs/dbraw/zinc/40/68/46/608406846.db2.gz BSIUZDOOSGIETE-AWEZNQCLSA-N -1 1 309.377 2.634 20 0 DFADMM CCC[C@H](CCc1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825242615 608422533 /nfs/dbraw/zinc/42/25/33/608422533.db2.gz WSMDEFPBPAMYSB-CQSZACIVSA-N -1 1 323.404 2.870 20 0 DFADMM CCC[C@H](CCc1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825242615 608422534 /nfs/dbraw/zinc/42/25/34/608422534.db2.gz WSMDEFPBPAMYSB-CQSZACIVSA-N -1 1 323.404 2.870 20 0 DFADMM C[C@@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)c2ccccc21 ZINC000824917053 608436959 /nfs/dbraw/zinc/43/69/59/608436959.db2.gz LNQMNIYSKXXBHH-MFKMUULPSA-N -1 1 307.361 2.707 20 0 DFADMM C[C@@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)c2ccccc21 ZINC000824917053 608436960 /nfs/dbraw/zinc/43/69/60/608436960.db2.gz LNQMNIYSKXXBHH-MFKMUULPSA-N -1 1 307.361 2.707 20 0 DFADMM C[C@@H](c1cc(F)ccc1F)N(C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000824763493 608525833 /nfs/dbraw/zinc/52/58/33/608525833.db2.gz MSVFKRFZGOZEIF-VIFPVBQESA-N -1 1 319.315 2.931 20 0 DFADMM C[C@@H](c1cc(F)ccc1F)N(C)Cc1ccc(-c2nn[n-]n2)o1 ZINC000824763493 608525834 /nfs/dbraw/zinc/52/58/34/608525834.db2.gz MSVFKRFZGOZEIF-VIFPVBQESA-N -1 1 319.315 2.931 20 0 DFADMM C[C@H]1CC(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C[C@H](C)C1 ZINC000824875991 609160816 /nfs/dbraw/zinc/16/08/16/609160816.db2.gz QCQPJFCPEPONBW-NXEZZACHSA-N -1 1 315.377 2.583 20 0 DFADMM CC(C)n1cc2c(n1)[C@H](Nc1cccc(-c3nnn[n-]3)n1)CCC2 ZINC000824371662 609171838 /nfs/dbraw/zinc/17/18/38/609171838.db2.gz NNWJVBUKADGTEY-GFCCVEGCSA-N -1 1 324.392 2.529 20 0 DFADMM CC(C)n1cc2c(n1)[C@H](Nc1cccc(-c3nn[n-]n3)n1)CCC2 ZINC000824371662 609171840 /nfs/dbraw/zinc/17/18/40/609171840.db2.gz NNWJVBUKADGTEY-GFCCVEGCSA-N -1 1 324.392 2.529 20 0 DFADMM CC[C@H](C)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000825067504 609310610 /nfs/dbraw/zinc/31/06/10/609310610.db2.gz KVPTUIQZHXHRAA-VIFPVBQESA-N -1 1 317.780 2.881 20 0 DFADMM Cc1nc2cc(NCc3ccc(-c4nnn[n-]4)o3)ccc2s1 ZINC000826329140 609322583 /nfs/dbraw/zinc/32/25/83/609322583.db2.gz RFGVOZBRRVMPEB-UHFFFAOYSA-N -1 1 312.358 2.990 20 0 DFADMM Cc1nc2cc(NCc3ccc(-c4nn[n-]n4)o3)ccc2s1 ZINC000826329140 609322584 /nfs/dbraw/zinc/32/25/84/609322584.db2.gz RFGVOZBRRVMPEB-UHFFFAOYSA-N -1 1 312.358 2.990 20 0 DFADMM C[C@H]1CC[C@]2(CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C2)C1 ZINC000824916700 609389876 /nfs/dbraw/zinc/38/98/76/609389876.db2.gz LLECSIYCEOTRAI-BONVTDFDSA-N -1 1 318.812 2.932 20 0 DFADMM C[C@H]1CC[C@]2(CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)C2)C1 ZINC000824916700 609389878 /nfs/dbraw/zinc/38/98/78/609389878.db2.gz LLECSIYCEOTRAI-BONVTDFDSA-N -1 1 318.812 2.932 20 0 DFADMM Cc1ccc2c(c1)[C@H](Nc1cccc(-c3nnn[n-]3)n1)[C@@H](C)C2 ZINC000826294730 609570442 /nfs/dbraw/zinc/57/04/42/609570442.db2.gz ZYUCVHNWFDAJJV-MEDUHNTESA-N -1 1 306.373 2.916 20 0 DFADMM Cc1ccc2c(c1)[C@H](Nc1cccc(-c3nn[n-]n3)n1)[C@@H](C)C2 ZINC000826294730 609570445 /nfs/dbraw/zinc/57/04/45/609570445.db2.gz ZYUCVHNWFDAJJV-MEDUHNTESA-N -1 1 306.373 2.916 20 0 DFADMM CN(C[C@@H]1CC=CCC1)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000825909156 609594502 /nfs/dbraw/zinc/59/45/02/609594502.db2.gz SJDUEDBTJWVDKN-GFCCVEGCSA-N -1 1 321.388 2.602 20 0 DFADMM CN(C[C@@H]1CC=CCC1)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000825909156 609594503 /nfs/dbraw/zinc/59/45/03/609594503.db2.gz SJDUEDBTJWVDKN-GFCCVEGCSA-N -1 1 321.388 2.602 20 0 DFADMM C[C@@H]1C[C@@H](CCNc2ccc(Cl)c(-c3nnn[n-]3)n2)CCO1 ZINC000824886316 609596570 /nfs/dbraw/zinc/59/65/70/609596570.db2.gz WZTCWLAXHSTGQM-ZJUUUORDSA-N -1 1 322.800 2.532 20 0 DFADMM C[C@@H]1C[C@@H](CCNc2ccc(Cl)c(-c3nn[n-]n3)n2)CCO1 ZINC000824886316 609596573 /nfs/dbraw/zinc/59/65/73/609596573.db2.gz WZTCWLAXHSTGQM-ZJUUUORDSA-N -1 1 322.800 2.532 20 0 DFADMM CC1(C)OCC(C)(c2nc(-c3ccc([O-])cc3F)no2)CO1 ZINC000278318759 214087541 /nfs/dbraw/zinc/08/75/41/214087541.db2.gz YSFAQQBKHHNSCO-UHFFFAOYSA-N -1 1 308.309 2.622 20 0 DFADMM COC(=O)c1cc(CSc2nc(C)c(C)c(=O)[n-]2)cs1 ZINC000413005254 295667826 /nfs/dbraw/zinc/66/78/26/295667826.db2.gz YVDKOSTYANUISE-UHFFFAOYSA-N -1 1 310.400 2.939 20 0 DFADMM CC[C@H](C)C[C@@H](C)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000081952332 192345238 /nfs/dbraw/zinc/34/52/38/192345238.db2.gz KNHIOVRJBSVMEV-WDEREUQCSA-N -1 1 307.438 2.930 20 0 DFADMM COC(=O)c1c[n-]c(SCc2ccn(C3CCCC3)n2)n1 ZINC000278767754 214386924 /nfs/dbraw/zinc/38/69/24/214386924.db2.gz YBMXOZHIXRSIIJ-UHFFFAOYSA-N -1 1 306.391 2.800 20 0 DFADMM C[C@H]1CC[S@](=O)CCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000365330807 290643243 /nfs/dbraw/zinc/64/32/43/290643243.db2.gz BFAAAVUBYPHCHV-YTEVENLXSA-N -1 1 317.410 2.529 20 0 DFADMM CC[C@@H](C)[C@H](CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)OC ZINC000295800749 529415406 /nfs/dbraw/zinc/41/54/06/529415406.db2.gz DYSYZFHJBYPBGS-PWSUYJOCSA-N -1 1 323.437 2.579 20 0 DFADMM [O-]c1cccc(CNc2ccc(-n3cnnn3)cc2)c1Cl ZINC000328410786 231231281 /nfs/dbraw/zinc/23/12/81/231231281.db2.gz XKWHBPCHQTXMHR-UHFFFAOYSA-N -1 1 301.737 2.633 20 0 DFADMM CC[C@@]1(C)CCN(C(=O)CCc2c(C)nc(SC)[n-]c2=O)C1 ZINC000330981328 529525480 /nfs/dbraw/zinc/52/54/80/529525480.db2.gz JEIXARSOBIHBOK-INIZCTEOSA-N -1 1 323.462 2.794 20 0 DFADMM C[C@@H]1CCC[C@H](CO)[N@H+]1Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000459374132 299090960 /nfs/dbraw/zinc/09/09/60/299090960.db2.gz WUZJGMLUXYFBTL-CZUORRHYSA-N -1 1 313.401 2.585 20 0 DFADMM [O-]c1ccc(-c2noc([C@H]3CCc4n[nH]cc4C3)n2)c(F)c1 ZINC000278195869 214016129 /nfs/dbraw/zinc/01/61/29/214016129.db2.gz PGJGFQLOZZWNJW-QMMMGPOBSA-N -1 1 300.293 2.577 20 0 DFADMM CCc1nc(SCC(=O)N2[C@H](C)CCC[C@@H]2C)[n-]c(=O)c1C ZINC000012962110 398387721 /nfs/dbraw/zinc/38/77/21/398387721.db2.gz CBXOCWCDFXMTEK-PHIMTYICSA-N -1 1 323.462 2.522 20 0 DFADMM CCc1ccc(NC(=O)NCCn2c(C)n[n-]c2=S)cc1 ZINC000084294230 398397069 /nfs/dbraw/zinc/39/70/69/398397069.db2.gz FNBAFKCAENPFJZ-UHFFFAOYSA-N -1 1 305.407 2.633 20 0 DFADMM O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)N1CCCC1 ZINC000017356453 398404099 /nfs/dbraw/zinc/40/40/99/398404099.db2.gz CIXZJFNZYJTRFK-UHFFFAOYSA-N -1 1 322.821 2.883 20 0 DFADMM Cc1cc(S(=O)(=O)[N-]CCC(F)(F)F)c(F)cc1F ZINC000084675139 398406784 /nfs/dbraw/zinc/40/67/84/398406784.db2.gz AOPKBRLUNVDLGW-UHFFFAOYSA-N -1 1 303.252 2.504 20 0 DFADMM CCC[C@H](CC)S(=O)(=O)[N-]c1ccc(F)cc1C(=O)OC ZINC000584841330 398420867 /nfs/dbraw/zinc/42/08/67/398420867.db2.gz GEQJSUGOZJKKLT-NSHDSACASA-N -1 1 317.382 2.933 20 0 DFADMM CCOC(=O)c1cc(NC(=O)c2cncc([O-])c2)ccc1Cl ZINC000585697467 398440459 /nfs/dbraw/zinc/44/04/59/398440459.db2.gz XJKJYICNJWMVBS-UHFFFAOYSA-N -1 1 320.732 2.870 20 0 DFADMM CCOC(C)(C)CNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000444523195 297238679 /nfs/dbraw/zinc/23/86/79/297238679.db2.gz YWTYKAKJHMBOTO-UHFFFAOYSA-N -1 1 305.296 2.956 20 0 DFADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc2c(c1)COC2 ZINC000068074928 398477466 /nfs/dbraw/zinc/47/74/66/398477466.db2.gz JEGLGQOUEYWEAM-UHFFFAOYSA-N -1 1 311.309 2.796 20 0 DFADMM CN1CCC[C@@H](NC(=O)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000592853304 398496626 /nfs/dbraw/zinc/49/66/26/398496626.db2.gz FYPPUODXHQEUCO-MRVPVSSYSA-N -1 1 303.189 2.523 20 0 DFADMM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1cccc2cn[nH]c21 ZINC000068338482 398496933 /nfs/dbraw/zinc/49/69/33/398496933.db2.gz VUUXZDKBYWZVHT-UHFFFAOYSA-N -1 1 321.296 2.571 20 0 DFADMM C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1cccc([O-])c1Br ZINC000459523591 299125253 /nfs/dbraw/zinc/12/52/53/299125253.db2.gz IPQFKEOVNMVVEB-GHMZBOCLSA-N -1 1 313.239 2.679 20 0 DFADMM COc1cc(F)c(S(=O)(=O)[N-]Cc2cccs2)c(F)c1 ZINC000588675487 398502673 /nfs/dbraw/zinc/50/26/73/398502673.db2.gz UAAFGAVKSPHLIG-UHFFFAOYSA-N -1 1 319.354 2.513 20 0 DFADMM COc1cc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@H](C)C2)c(F)c1 ZINC000588678443 398503628 /nfs/dbraw/zinc/50/36/28/398503628.db2.gz YKKRIWSOTMSDKH-UWVGGRQHSA-N -1 1 319.373 2.830 20 0 DFADMM O=S(=O)([N-]CCc1cccc(F)c1)c1cc(F)ccc1F ZINC000031074666 398510687 /nfs/dbraw/zinc/51/06/87/398510687.db2.gz VBTXAOPSYMAWBH-UHFFFAOYSA-N -1 1 315.316 2.625 20 0 DFADMM CC(C)(C)CCC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000091161204 398515965 /nfs/dbraw/zinc/51/59/65/398515965.db2.gz ULQAKKPDQZTMFZ-UHFFFAOYSA-N -1 1 316.398 2.962 20 0 DFADMM CCOC(=O)[C@H](Sc1ncc(C)c(=O)[n-]1)c1ccccc1 ZINC000314908751 398522458 /nfs/dbraw/zinc/52/24/58/398522458.db2.gz OCGCIFHNMJVRAK-GFCCVEGCSA-N -1 1 304.371 2.887 20 0 DFADMM Cc1ccc(C(F)(F)C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000272612011 210012135 /nfs/dbraw/zinc/01/21/35/210012135.db2.gz SNINXPILVIVRLU-UHFFFAOYSA-N -1 1 320.221 2.862 20 0 DFADMM CCn1nc(C)c(CNC(=O)c2ccc(Cl)cc2[O-])c1C ZINC000589389469 398550029 /nfs/dbraw/zinc/55/00/29/398550029.db2.gz DYMCDAVMUNMTRB-UHFFFAOYSA-N -1 1 307.781 2.809 20 0 DFADMM Cn1[n-]cc2/c(=N\C(=O)C3(c4cccc(F)c4)CCC3)ccnc1-2 ZINC000279758059 215120300 /nfs/dbraw/zinc/12/03/00/215120300.db2.gz LQPKGSWNMCDWHA-JCMHNJIXSA-N -1 1 324.359 2.541 20 0 DFADMM CC(=O)Nc1cccc(CNC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000079022817 282602012 /nfs/dbraw/zinc/60/20/12/282602012.db2.gz PMITYZFOVAYNCS-UHFFFAOYSA-N -1 1 318.760 2.934 20 0 DFADMM CCN(Cc1cccs1)C(=O)c1c(C)[n-]c(=O)nc1SC ZINC000080532908 192166553 /nfs/dbraw/zinc/16/65/53/192166553.db2.gz NMYLBONYQFQKLE-UHFFFAOYSA-N -1 1 323.443 2.936 20 0 DFADMM CC[C@H]1CCCN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)C1 ZINC000080547920 192167391 /nfs/dbraw/zinc/16/73/91/192167391.db2.gz YLSYRVICOIDFKJ-LBPRGKRZSA-N -1 1 305.422 2.638 20 0 DFADMM CCCC[C@H](CCC)NC(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287045058 219285618 /nfs/dbraw/zinc/28/56/18/219285618.db2.gz DKGFVWIKMTZSGL-SXPRPLFSSA-N -1 1 303.410 2.822 20 0 DFADMM O=c1cc(C(F)(F)F)nc(SC[C@H]2CCCC[C@@H]2O)[n-]1 ZINC000331359331 233174600 /nfs/dbraw/zinc/17/46/00/233174600.db2.gz WJURTZTYWYPQBQ-SFYZADRCSA-N -1 1 308.325 2.844 20 0 DFADMM O=C(Nc1ccc(N2CCCC2)nc1)c1cc(F)ccc1[O-] ZINC000081934662 282642002 /nfs/dbraw/zinc/64/20/02/282642002.db2.gz XZLNZGBXCSSNEN-UHFFFAOYSA-N -1 1 301.321 2.779 20 0 DFADMM O=C(NC[C@H]1CCN(c2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000081938900 282642063 /nfs/dbraw/zinc/64/20/63/282642063.db2.gz KZDWTGGSRXEVHZ-CYBMUJFWSA-N -1 1 314.360 2.788 20 0 DFADMM O=C([O-])C[C@H]1CCCN1Cc1csc(Br)c1 ZINC000042162883 398585417 /nfs/dbraw/zinc/58/54/17/398585417.db2.gz KQIQJLZYJJKQGC-SECBINFHSA-N -1 1 304.209 2.950 20 0 DFADMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000042219086 398586694 /nfs/dbraw/zinc/58/66/94/398586694.db2.gz OKQWGUDOTQBYKI-UHFFFAOYSA-N -1 1 323.345 2.722 20 0 DFADMM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084938954 282645457 /nfs/dbraw/zinc/64/54/57/282645457.db2.gz FWUACKGLLDKCMP-NSHDSACASA-N -1 1 311.403 2.915 20 0 DFADMM COC(=O)Cc1cccc(NCc2cccc([O-])c2Cl)n1 ZINC000590187722 398603837 /nfs/dbraw/zinc/60/38/37/398603837.db2.gz QLRZUSCUUCZTFE-UHFFFAOYSA-N -1 1 306.749 2.768 20 0 DFADMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc(-n3cccc3)cc2)n1 ZINC000590356673 398616077 /nfs/dbraw/zinc/61/60/77/398616077.db2.gz KCPJHCPNGPDBDS-UHFFFAOYSA-N -1 1 324.340 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CCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129629728 196063347 /nfs/dbraw/zinc/06/33/47/196063347.db2.gz OIDNKJPKYYECNM-LBPRGKRZSA-N -1 1 310.781 2.775 20 0 DFADMM CCSc1cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)ccn1 ZINC000053797302 425888834 /nfs/dbraw/zinc/88/88/34/425888834.db2.gz NGONACVAIXEDMP-UHFFFAOYSA-N -1 1 317.296 2.583 20 0 DFADMM O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ncccc1[O-] ZINC000132915423 196296287 /nfs/dbraw/zinc/29/62/87/196296287.db2.gz RLRZUETYVGVDOU-ZFWWWQNUSA-N -1 1 312.369 2.685 20 0 DFADMM CC(C)(C)C[C@H](CO)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000133126934 196313851 /nfs/dbraw/zinc/31/38/51/196313851.db2.gz BJKRLVTZNHRQFX-SECBINFHSA-N -1 1 323.817 2.555 20 0 DFADMM CC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)[C@@H]1CCCO1 ZINC000133179340 196319354 /nfs/dbraw/zinc/31/93/54/196319354.db2.gz VSYSAHSTZVODHH-NEPJUHHUSA-N -1 1 321.801 2.715 20 0 DFADMM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000134387931 196385632 /nfs/dbraw/zinc/38/56/32/196385632.db2.gz 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/nfs/dbraw/zinc/97/99/71/426979971.db2.gz IVAAOQQFIAXDLY-GFCCVEGCSA-N -1 1 315.369 2.959 20 0 DFADMM C[C@@H](CN(C)C(=O)c1ccc(C2=CCCC2)cc1)c1nn[n-]n1 ZINC000291777492 426984098 /nfs/dbraw/zinc/98/40/98/426984098.db2.gz XAKABDRZAKTXKD-LBPRGKRZSA-N -1 1 311.389 2.643 20 0 DFADMM Cc1ccc(C)c(NC(=O)CN2CCCC[C@@H]2CC(=O)[O-])c1 ZINC000314418330 426927803 /nfs/dbraw/zinc/92/78/03/426927803.db2.gz CWIBAMIUEOCFMJ-CQSZACIVSA-N -1 1 304.390 2.571 20 0 DFADMM CCC[C@H](NC(=O)c1ccc(OCC(C)C)cc1)c1nn[n-]n1 ZINC000268153440 426931635 /nfs/dbraw/zinc/93/16/35/426931635.db2.gz GRUGJWOTNHGJTQ-AWEZNQCLSA-N -1 1 317.393 2.506 20 0 DFADMM COCCS(=O)(=O)[N-]c1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000181319459 426933955 /nfs/dbraw/zinc/93/39/55/426933955.db2.gz LGGUSOXXXCVIRG-UHFFFAOYSA-N -1 1 323.361 2.530 20 0 DFADMM O=C([O-])CC[C@H]1CCCN(Cc2nc(-c3ccsc3)no2)C1 ZINC000315152645 426935146 /nfs/dbraw/zinc/93/51/46/426935146.db2.gz YSTFPTPQLGIDFC-LLVKDONJSA-N -1 1 321.402 2.875 20 0 DFADMM C[C@H](CCc1ccco1)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000337856567 427002879 /nfs/dbraw/zinc/00/28/79/427002879.db2.gz VSLYWWCKVDYGRB-SNVBAGLBSA-N -1 1 315.341 2.857 20 0 DFADMM CO[C@H](C)c1nc(=N[C@H]2CCN(C)[C@@H]2c2ccccc2)s[n-]1 ZINC000337857269 427002949 /nfs/dbraw/zinc/00/29/49/427002949.db2.gz HNERLVRUSSVUBC-KWCYVHTRSA-N -1 1 318.446 2.525 20 0 DFADMM CCSCC[C@H](C)N(C)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000283407470 427009930 /nfs/dbraw/zinc/00/99/30/427009930.db2.gz LNFMXNSHPVFSMM-JTQLQIEISA-N -1 1 324.475 2.622 20 0 DFADMM CCC[C@@H](NC(=O)c1cc2cc(C)ccc2s1)c1nn[n-]n1 ZINC000291877194 427015203 /nfs/dbraw/zinc/01/52/03/427015203.db2.gz HXGQGCKCZGJNMU-LLVKDONJSA-N -1 1 315.402 2.994 20 0 DFADMM CO[C@@H](C)c1nc(=NC[C@H](C)COCc2ccccc2)s[n-]1 ZINC000337913467 427035398 /nfs/dbraw/zinc/03/53/98/427035398.db2.gz LMNMEUWJKMDCEO-STQMWFEESA-N -1 1 321.446 2.932 20 0 DFADMM CC[C@@](NC(=O)c1ccc2ccccc2c1[O-])(C(N)=O)C(C)C ZINC000182429054 427074705 /nfs/dbraw/zinc/07/47/05/427074705.db2.gz 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427147879 /nfs/dbraw/zinc/14/78/79/427147879.db2.gz XRIHZEINMUCJPV-ZYHUDNBSSA-N -1 1 310.419 2.724 20 0 DFADMM C[NH+](C)C[C@@H](NC(=O)c1c([O-])cccc1F)c1ccccc1 ZINC000163776369 271090552 /nfs/dbraw/zinc/09/05/52/271090552.db2.gz KFHYMGVWERCVNQ-CQSZACIVSA-N -1 1 302.349 2.564 20 0 DFADMM COc1ccc(C(=O)Nc2ccc(-c3ncon3)cc2)c([O-])c1 ZINC000171012374 271102602 /nfs/dbraw/zinc/10/26/02/271102602.db2.gz CAJARXDGPNBYFS-UHFFFAOYSA-N -1 1 311.297 2.703 20 0 DFADMM CCN1CCN(C(=O)c2ccc(OC)cc2[O-])c2ccccc21 ZINC000171892848 271107089 /nfs/dbraw/zinc/10/70/89/271107089.db2.gz RLCZSCWXVZKXFX-UHFFFAOYSA-N -1 1 312.369 2.888 20 0 DFADMM CCc1nnc(-c2ccc(NC(=O)c3cncc([O-])c3)cc2)o1 ZINC000175801997 271159178 /nfs/dbraw/zinc/15/91/78/271159178.db2.gz JBIGYHBUVYWYCF-UHFFFAOYSA-N -1 1 310.313 2.652 20 0 DFADMM C[C@@H](C(=O)Nc1ccc2ccccc2c1)N(C)CCC(=O)[O-] ZINC000269299482 427165672 /nfs/dbraw/zinc/16/56/72/427165672.db2.gz PSDWXJAVSBGDRE-LBPRGKRZSA-N -1 1 300.358 2.573 20 0 DFADMM 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2.878 20 0 DFADMM O=C(N[C@H]1CCO[C@H](c2cccnc2)C1)c1cc(F)ccc1[O-] ZINC000297013646 427306006 /nfs/dbraw/zinc/30/60/06/427306006.db2.gz MOWZHQWXBCYQTB-BBRMVZONSA-N -1 1 316.332 2.576 20 0 DFADMM [O-]c1ccc(-c2nc([C@H]3CN4CCC[C@H]4CO3)no2)cc1Cl ZINC000277775048 427312175 /nfs/dbraw/zinc/31/21/75/427312175.db2.gz DZBJZDJJOKKGIM-GXFFZTMASA-N -1 1 321.764 2.631 20 0 DFADMM CC[C@@H](C)c1nc([C@H](C)NC(=O)c2ccc(F)cc2[O-])n[nH]1 ZINC000277787037 427319112 /nfs/dbraw/zinc/31/91/12/427319112.db2.gz JPQLCWJOZZYJNQ-BDAKNGLRSA-N -1 1 306.341 2.654 20 0 DFADMM COc1cccc([C@H](O)C[NH2+]Cc2cccc([O-])c2Cl)c1 ZINC000293449280 427328429 /nfs/dbraw/zinc/32/84/29/427328429.db2.gz CKHUGXWCPWMPHI-OAHLLOKOSA-N -1 1 307.777 2.877 20 0 DFADMM CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(F)cc1[O-] ZINC000270347621 427328925 /nfs/dbraw/zinc/32/89/25/427328925.db2.gz FCSLFLBQVLHRTH-AWEZNQCLSA-N -1 1 320.320 2.517 20 0 DFADMM CCOc1cc(-c2noc([C@@H]3CCOC3)n2)cc(Cl)c1[O-] ZINC000277833796 427336681 /nfs/dbraw/zinc/33/66/81/427336681.db2.gz ICYHLGJLCBPJGR-MRVPVSSYSA-N -1 1 310.737 2.998 20 0 DFADMM CC(=O)N1CCC[C@H](c2nc(-c3ccc([O-])cc3Cl)no2)C1 ZINC000277850227 427338490 /nfs/dbraw/zinc/33/84/90/427338490.db2.gz AOFAISJGGJFGTA-JTQLQIEISA-N -1 1 321.764 2.822 20 0 DFADMM CSc1nc(C)c(CCC(=O)NC[C@H]2CC[C@@H](C)C2)c(=O)[n-]1 ZINC000331088579 427342981 /nfs/dbraw/zinc/34/29/81/427342981.db2.gz TXAIEEFYKXMLNG-PWSUYJOCSA-N -1 1 323.462 2.698 20 0 DFADMM CCOC(=O)c1csc(NC(=O)c2ccc(CC)cc2[O-])n1 ZINC000191408297 427343777 /nfs/dbraw/zinc/34/37/77/427343777.db2.gz MZFBARATNHKTQQ-UHFFFAOYSA-N -1 1 320.370 2.840 20 0 DFADMM [O-]c1cccc(CN2CCC(O)(C(F)(F)F)CC2)c1Cl ZINC000293503518 427346772 /nfs/dbraw/zinc/34/67/72/427346772.db2.gz BRFMSCFCQCRRIR-UHFFFAOYSA-N -1 1 309.715 2.935 20 0 DFADMM COc1cc(NC(=O)c2cncc([O-])c2)ccc1OC(C)C ZINC000183837309 427348214 /nfs/dbraw/zinc/34/82/14/427348214.db2.gz ZDZJDRCBBPPBNU-UHFFFAOYSA-N -1 1 302.330 2.835 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC1CCC2(CC2)CC1 ZINC000277698873 427287860 /nfs/dbraw/zinc/28/78/60/427287860.db2.gz WCJSAMSXVKMNFZ-UHFFFAOYSA-N -1 1 307.419 2.665 20 0 DFADMM Cc1c(C(=O)Nc2ccc(F)cc2[O-])cnn1C1CCOCC1 ZINC000271024890 427376424 /nfs/dbraw/zinc/37/64/24/427376424.db2.gz ZOETVTOZGOUNKC-UHFFFAOYSA-N -1 1 319.336 2.640 20 0 DFADMM CCc1oc(C(=O)Nc2ccc(F)cc2[O-])cc1C(=O)OC ZINC000338553667 427378119 /nfs/dbraw/zinc/37/81/19/427378119.db2.gz ZPEXJOZOSIGOHM-UHFFFAOYSA-N -1 1 307.277 2.726 20 0 DFADMM O=C(c1ncccc1[O-])N1CC[C@H](c2c(F)cccc2F)C1 ZINC000184105046 427393402 /nfs/dbraw/zinc/39/34/02/427393402.db2.gz JXICNCFTPSWCKI-JTQLQIEISA-N -1 1 304.296 2.695 20 0 DFADMM CC(C)(CC[NH2+]Cc1cccc([O-])c1Br)C(=O)[O-] ZINC000263084625 427409606 /nfs/dbraw/zinc/40/96/06/427409606.db2.gz SDSJHOUATRSDBX-UHFFFAOYSA-N -1 1 316.195 2.745 20 0 DFADMM CCOc1cc(C(=O)N[C@@H](C)[C@@H](C)OC)cc(Cl)c1[O-] ZINC000191458759 427354986 /nfs/dbraw/zinc/35/49/86/427354986.db2.gz IWMWJOLVZVSGDZ-DTWKUNHWSA-N -1 1 301.770 2.598 20 0 DFADMM CCn1c(CN2C[C@H](C)C[C@@H](C(=O)[O-])C2)nc2c1cccc2F ZINC000263312645 427459251 /nfs/dbraw/zinc/45/92/51/427459251.db2.gz IEVGIKUQZMPREH-VXGBXAGGSA-N -1 1 319.380 2.738 20 0 DFADMM Cc1cccc(S(=O)(=O)[N-]CC(F)(F)C(F)F)c1Cl ZINC000192136192 427488314 /nfs/dbraw/zinc/48/83/14/427488314.db2.gz VMJJLROYDXQEJF-UHFFFAOYSA-N -1 1 319.707 2.827 20 0 DFADMM CCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cn1 ZINC000184462134 427466966 /nfs/dbraw/zinc/46/69/66/427466966.db2.gz FDAYJTVPCSIVDP-UHFFFAOYSA-N -1 1 306.387 2.898 20 0 DFADMM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2cc(-c3cccs3)on2)C1 ZINC000263357890 427471851 /nfs/dbraw/zinc/47/18/51/427471851.db2.gz RIODXLMSXXWFBC-WDEREUQCSA-N -1 1 306.387 2.946 20 0 DFADMM Cc1cccc2nc(CNC(=O)c3c([O-])cccc3F)n(C)c21 ZINC000184542452 427483279 /nfs/dbraw/zinc/48/32/79/427483279.db2.gz IZJAJOMHRDHSNW-UHFFFAOYSA-N -1 1 313.332 2.656 20 0 DFADMM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000340917878 271758446 /nfs/dbraw/zinc/75/84/46/271758446.db2.gz 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/nfs/dbraw/zinc/40/85/24/430408524.db2.gz RSZLXOIHKJOSGT-UHFFFAOYSA-N -1 1 300.387 2.956 20 0 DFADMM C[C@@H](CN(Cc1nccn1Cc1ccccc1)C1CC1)C(=O)[O-] ZINC000569231217 430434618 /nfs/dbraw/zinc/43/46/18/430434618.db2.gz OBPAHBNCMPUMTP-AWEZNQCLSA-N -1 1 313.401 2.617 20 0 DFADMM COCC1(S(=O)(=O)[N-]c2cc(F)c(SC)c(F)c2)CC1 ZINC000641685535 430441704 /nfs/dbraw/zinc/44/17/04/430441704.db2.gz QBYPVSRJSSMAMK-UHFFFAOYSA-N -1 1 323.386 2.607 20 0 DFADMM CC(C)[C@@]1(C(=O)[O-])CCN([C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000569347935 430445976 /nfs/dbraw/zinc/44/59/76/430445976.db2.gz XMEBJIJUHYKVCA-MEDUHNTESA-N -1 1 309.410 2.861 20 0 DFADMM CCN(C(C)=O)c1nc(CSc2ncc(C)c(=O)[n-]2)cs1 ZINC000584064838 430457411 /nfs/dbraw/zinc/45/74/11/430457411.db2.gz OZYGUEFSHXBORC-UHFFFAOYSA-N -1 1 324.431 2.612 20 0 DFADMM Cc1ccc(C)c(NC(=O)CN2CCC[C@@H](CC(=O)[O-])CC2)c1 ZINC000641794586 430474706 /nfs/dbraw/zinc/47/47/06/430474706.db2.gz VPNNAZPOMLKIEB-OAHLLOKOSA-N -1 1 318.417 2.819 20 0 DFADMM 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DFADMM Cc1c(C(=O)[O-])sc2nc(C)nc(N[C@@H]3CS[C@@H](C)C3)c12 ZINC000572043916 430669343 /nfs/dbraw/zinc/66/93/43/430669343.db2.gz TTYIQYSYPKHMRO-RCOVLWMOSA-N -1 1 323.443 2.734 20 0 DFADMM CC[C@H](CC(=O)N[C@H](c1nn[n-]n1)c1ccccc1)C(C)(C)C ZINC000639570868 430673620 /nfs/dbraw/zinc/67/36/20/430673620.db2.gz PUFNIWWVKVUQAA-HIFRSBDPSA-N -1 1 315.421 2.868 20 0 DFADMM CC[C@@H](CC(=O)N[C@@H](c1nn[n-]n1)c1ccccc1)C(C)(C)C ZINC000639570867 430674050 /nfs/dbraw/zinc/67/40/50/430674050.db2.gz PUFNIWWVKVUQAA-DZGCQCFKSA-N -1 1 315.421 2.868 20 0 DFADMM CN(Cc1nc(=O)c2sccc2[n-]1)C[C@@H]1CC(C)(C)CO1 ZINC000639588797 430677135 /nfs/dbraw/zinc/67/71/35/430677135.db2.gz KKDTVRPRKDWZHS-JTQLQIEISA-N -1 1 307.419 2.644 20 0 DFADMM CC(C)c1scnc1[N-]S(=O)(=O)N1CCCCCC1 ZINC000329333514 278119702 /nfs/dbraw/zinc/11/97/02/278119702.db2.gz NLGSNHBSKKTLKL-UHFFFAOYSA-N -1 1 303.453 2.799 20 0 DFADMM C[C@@H](CCCCO)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000651115100 430709129 /nfs/dbraw/zinc/70/91/29/430709129.db2.gz 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/nfs/dbraw/zinc/58/31/75/545583175.db2.gz NHZJPPMOWHYOML-JTQLQIEISA-N -1 1 317.316 2.794 20 0 DFADMM CNC(=O)c1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1Cl ZINC000681022268 545584013 /nfs/dbraw/zinc/58/40/13/545584013.db2.gz ZHNHKZRKAKAFQR-UHFFFAOYSA-N -1 1 322.723 2.797 20 0 DFADMM COc1cc(CN(C)C(=O)c2ccc([O-])c(F)c2)ccc1O ZINC000681056671 545590358 /nfs/dbraw/zinc/59/03/58/545590358.db2.gz UJLJBTJARICBIE-UHFFFAOYSA-N -1 1 305.305 2.518 20 0 DFADMM CCOc1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1CO ZINC000681056992 545590366 /nfs/dbraw/zinc/59/03/66/545590366.db2.gz FTHZKEZQNPYGAF-UHFFFAOYSA-N -1 1 305.305 2.675 20 0 DFADMM CN(C(=O)c1ccc([O-])c(F)c1)[C@H](CCO)c1ccccc1 ZINC000681058252 545590432 /nfs/dbraw/zinc/59/04/32/545590432.db2.gz LQAQTWUNLQPTNF-OAHLLOKOSA-N -1 1 303.333 2.727 20 0 DFADMM C[C@H](CNC(=O)c1ccc([O-])c(F)c1)Oc1ccc(F)cc1 ZINC000681049761 545588695 /nfs/dbraw/zinc/58/86/95/545588695.db2.gz GZQXDHNMSCIMCY-SNVBAGLBSA-N -1 1 307.296 2.868 20 0 DFADMM COc1ccc(O[C@H](C)CNC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000681049340 545588704 /nfs/dbraw/zinc/58/87/04/545588704.db2.gz ACRNMPZCLQXXPJ-LLVKDONJSA-N -1 1 319.332 2.737 20 0 DFADMM CCO[C@H]1C[C@@H](NC(=O)c2ccc([O-])c(F)c2)C12CCCC2 ZINC000681049905 545589011 /nfs/dbraw/zinc/58/90/11/545589011.db2.gz OPYRNSULKASOBS-CABCVRRESA-N -1 1 307.365 2.999 20 0 DFADMM COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000681049721 545589163 /nfs/dbraw/zinc/58/91/63/545589163.db2.gz QZGCTHXZPFEOFM-SJLPKXTDSA-N -1 1 315.344 3.000 20 0 DFADMM C[C@@]1(c2ccccc2)CN(C(=O)c2ccc([O-])c(F)c2)CCO1 ZINC000681055248 545589449 /nfs/dbraw/zinc/58/94/49/545589449.db2.gz ASTSTOJSYBOEGX-SFHVURJKSA-N -1 1 315.344 2.919 20 0 DFADMM CC(C)(C)c1nnc(CNC(=O)c2ccc([O-])c(F)c2)s1 ZINC000681055275 545589859 /nfs/dbraw/zinc/58/98/59/545589859.db2.gz CHIPRFZDJKMYGW-UHFFFAOYSA-N -1 1 309.366 2.610 20 0 DFADMM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc([O-])c(F)c2)C12CCC2 ZINC000681055740 545590024 /nfs/dbraw/zinc/59/00/24/545590024.db2.gz AQONATGWEYNJJI-GJZGRUSLSA-N -1 1 307.365 2.951 20 0 DFADMM COc1cc(C(=O)Nc2c3c(nn2C)CCC3)cc(Cl)c1[O-] ZINC000682358744 545829117 /nfs/dbraw/zinc/82/91/17/545829117.db2.gz MGFBDVUTKYEEIV-UHFFFAOYSA-N -1 1 321.764 2.529 20 0 DFADMM COc1cc(C(=O)N(C)CCOC(C)(C)C)cc(Cl)c1[O-] ZINC000682362263 545830064 /nfs/dbraw/zinc/83/00/64/545830064.db2.gz VLJDPNKYBUIOOP-UHFFFAOYSA-N -1 1 315.797 2.941 20 0 DFADMM CC(C)[C@H](CNC(=O)c1cc(Cl)ccc1[O-])c1ccnn1C ZINC000682674581 545894900 /nfs/dbraw/zinc/89/49/00/545894900.db2.gz FBJNWPKOVATDOI-ZDUSSCGKSA-N -1 1 321.808 2.949 20 0 DFADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1ccc(C2CCC2)cc1 ZINC000682902443 545938548 /nfs/dbraw/zinc/93/85/48/545938548.db2.gz QJSLREOTBFDWBC-UHFFFAOYSA-N -1 1 311.389 2.667 20 0 DFADMM Cc1nc(C(=O)[N-]c2nc(-c3cccnc3)ns2)sc1C ZINC000683563077 546061475 /nfs/dbraw/zinc/06/14/75/546061475.db2.gz HPFSMJUAAJZVDH-UHFFFAOYSA-N -1 1 317.399 2.926 20 0 DFADMM Cn1c(=O)ccc2ccc(NC(=O)c3ccc([O-])c(F)c3)cc21 ZINC000683880421 546111901 /nfs/dbraw/zinc/11/19/01/546111901.db2.gz NMHMGKJEXPPRPX-UHFFFAOYSA-N -1 1 312.300 2.636 20 0 DFADMM COCc1cncc(-c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000685365820 546343520 /nfs/dbraw/zinc/34/35/20/546343520.db2.gz JTBPZBFQWJVGMF-UHFFFAOYSA-N -1 1 301.277 2.790 20 0 DFADMM CC(C)Oc1ncccc1CNC(=O)c1c(F)ccc([O-])c1F ZINC000685421450 546346705 /nfs/dbraw/zinc/34/67/05/546346705.db2.gz IYSKIXKGHQLSDV-UHFFFAOYSA-N -1 1 322.311 2.783 20 0 DFADMM O=C([N-]c1nnc(Cc2ccccc2)s1)c1cncs1 ZINC000685453627 546352808 /nfs/dbraw/zinc/35/28/08/546352808.db2.gz KUOHXJFKOCXYLQ-UHFFFAOYSA-N -1 1 302.384 2.838 20 0 DFADMM Cc1cc(C(F)(F)F)nn1CC(=O)Nc1c([O-])cccc1F ZINC000685743386 546387711 /nfs/dbraw/zinc/38/77/11/546387711.db2.gz YQSGEHPWYSCYCQ-UHFFFAOYSA-N -1 1 317.242 2.694 20 0 DFADMM Cc1ccc(Nc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000737362059 598933388 /nfs/dbraw/zinc/93/33/88/598933388.db2.gz MFKYUEBTWZJROC-UHFFFAOYSA-N -1 1 303.329 2.862 20 0 DFADMM Cc1ccc(Nc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000737362059 598933390 /nfs/dbraw/zinc/93/33/90/598933390.db2.gz MFKYUEBTWZJROC-UHFFFAOYSA-N -1 1 303.329 2.862 20 0 DFADMM Fc1ccc(Oc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000737656028 598955144 /nfs/dbraw/zinc/95/51/44/598955144.db2.gz GGQGFZDTQCGQQL-UHFFFAOYSA-N -1 1 308.276 2.741 20 0 DFADMM C[C@H]1CC[C@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000737196404 598967629 /nfs/dbraw/zinc/96/76/29/598967629.db2.gz HHIWKRHXVVHLQO-XYPYZODXSA-N -1 1 309.377 2.801 20 0 DFADMM C[C@H]1CC[C@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000737196404 598967630 /nfs/dbraw/zinc/96/76/30/598967630.db2.gz HHIWKRHXVVHLQO-XYPYZODXSA-N -1 1 309.377 2.801 20 0 DFADMM CC[C@@H](C)c1ccccc1OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736330395 598981040 /nfs/dbraw/zinc/98/10/40/598981040.db2.gz XIMFFQFBHAXXHO-LLVKDONJSA-N -1 1 323.356 2.994 20 0 DFADMM CC[C@@H](C)c1ccccc1OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736330395 598981042 /nfs/dbraw/zinc/98/10/42/598981042.db2.gz XIMFFQFBHAXXHO-LLVKDONJSA-N -1 1 323.356 2.994 20 0 DFADMM CCCCCC[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736445715 599151734 /nfs/dbraw/zinc/15/17/34/599151734.db2.gz MNSRLVJQUCGRCM-LLVKDONJSA-N -1 1 303.366 2.777 20 0 DFADMM CCCCCC[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736445715 599151735 /nfs/dbraw/zinc/15/17/35/599151735.db2.gz MNSRLVJQUCGRCM-LLVKDONJSA-N -1 1 303.366 2.777 20 0 DFADMM C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N(C)CCC(=O)[O-] ZINC000818075878 596996137 /nfs/dbraw/zinc/99/61/37/596996137.db2.gz TWKULODQOUSJSD-SECBINFHSA-N -1 1 309.753 2.858 20 0 DFADMM CCc1ccccc1NC(=O)[C@H](C)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000818339289 597080660 /nfs/dbraw/zinc/08/06/60/597080660.db2.gz KMSXRYXKYNIGEC-KBPBESRZSA-N -1 1 318.417 2.763 20 0 DFADMM CSCC[C@@H](C)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC000821962856 607327565 /nfs/dbraw/zinc/32/75/65/607327565.db2.gz XRIABGPLBYYCNN-ZCFIWIBFSA-N -1 1 318.859 2.554 20 0 DFADMM CSCC[C@@H](C)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC000821962856 607327566 /nfs/dbraw/zinc/32/75/66/607327566.db2.gz XRIABGPLBYYCNN-ZCFIWIBFSA-N -1 1 318.859 2.554 20 0 DFADMM Clc1ccc(Cl)c(Oc2nccnc2-c2nn[n-]n2)c1 ZINC000737576301 598336857 /nfs/dbraw/zinc/33/68/57/598336857.db2.gz PCLCVEBAFVKCJX-UHFFFAOYSA-N -1 1 309.116 2.756 20 0 DFADMM CC(C)(C)c1ccc(CCNc2nccnc2-c2nnn[n-]2)cc1 ZINC000735648272 598343638 /nfs/dbraw/zinc/34/36/38/598343638.db2.gz BUODGMUGPUJBHN-UHFFFAOYSA-N -1 1 323.404 2.609 20 0 DFADMM CC(C)(C)c1ccc(CCNc2nccnc2-c2nn[n-]n2)cc1 ZINC000735648272 598343639 /nfs/dbraw/zinc/34/36/39/598343639.db2.gz BUODGMUGPUJBHN-UHFFFAOYSA-N -1 1 323.404 2.609 20 0 DFADMM Cc1c2ccccc2oc1[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC000737209079 598345545 /nfs/dbraw/zinc/34/55/45/598345545.db2.gz JNKBPKYFBNYGTI-JTQLQIEISA-N -1 1 321.344 2.884 20 0 DFADMM Cc1c2ccccc2oc1[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC000737209079 598345546 /nfs/dbraw/zinc/34/55/46/598345546.db2.gz JNKBPKYFBNYGTI-JTQLQIEISA-N -1 1 321.344 2.884 20 0 DFADMM Clc1nsc(N2CC[C@H](c3ccco3)C2)c1-c1nnn[n-]1 ZINC000737583395 598676868 /nfs/dbraw/zinc/67/68/68/598676868.db2.gz KIOZVDPJYIZBIK-ZETCQYMHSA-N -1 1 322.781 2.564 20 0 DFADMM Clc1nsc(N2CC[C@H](c3ccco3)C2)c1-c1nn[n-]n1 ZINC000737583395 598676870 /nfs/dbraw/zinc/67/68/70/598676870.db2.gz KIOZVDPJYIZBIK-ZETCQYMHSA-N -1 1 322.781 2.564 20 0 DFADMM C[C@@H]1CC[C@H](OC(=O)c2sccc2-c2nn[n-]n2)[C@@H](C)C1 ZINC000736244754 599375830 /nfs/dbraw/zinc/37/58/30/599375830.db2.gz MWMYZQUTHSZDKB-YWVKMMECSA-N -1 1 306.391 2.910 20 0 DFADMM CC[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1OC ZINC000736367895 599406096 /nfs/dbraw/zinc/40/60/96/599406096.db2.gz DFGVELLDEGSGRI-LBPRGKRZSA-N -1 1 310.361 2.834 20 0 DFADMM CC[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1OC ZINC000736367895 599406097 /nfs/dbraw/zinc/40/60/97/599406097.db2.gz DFGVELLDEGSGRI-LBPRGKRZSA-N -1 1 310.361 2.834 20 0 DFADMM CC(C)COc1cccc(CNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000735844853 599416062 /nfs/dbraw/zinc/41/60/62/599416062.db2.gz OPZBXBDQJXPAGX-UHFFFAOYSA-N -1 1 324.388 2.909 20 0 DFADMM CC(C)COc1cccc(CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000735844853 599416063 /nfs/dbraw/zinc/41/60/63/599416063.db2.gz OPZBXBDQJXPAGX-UHFFFAOYSA-N -1 1 324.388 2.909 20 0 DFADMM CCOc1ccccc1[C@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000736653957 599419862 /nfs/dbraw/zinc/41/98/62/599419862.db2.gz GUFKJOFEXIHBCE-NSHDSACASA-N -1 1 310.361 2.834 20 0 DFADMM CCOc1ccccc1[C@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000736653957 599419863 /nfs/dbraw/zinc/41/98/63/599419863.db2.gz GUFKJOFEXIHBCE-NSHDSACASA-N -1 1 310.361 2.834 20 0 DFADMM Cc1ccccc1C1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000737419859 599432546 /nfs/dbraw/zinc/43/25/46/599432546.db2.gz CIKQOXFRBWBCBS-UHFFFAOYSA-N -1 1 320.400 2.954 20 0 DFADMM Cc1ccccc1C1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000737419859 599432547 /nfs/dbraw/zinc/43/25/47/599432547.db2.gz CIKQOXFRBWBCBS-UHFFFAOYSA-N -1 1 320.400 2.954 20 0 DFADMM CCCC(O)(CCC)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736434086 599530380 /nfs/dbraw/zinc/53/03/80/599530380.db2.gz CXFLQIYYFUURNJ-UHFFFAOYSA-N -1 1 324.816 2.658 20 0 DFADMM CCCC(O)(CCC)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736434086 599530383 /nfs/dbraw/zinc/53/03/83/599530383.db2.gz CXFLQIYYFUURNJ-UHFFFAOYSA-N -1 1 324.816 2.658 20 0 DFADMM CN(Cc1occc1C(=O)[O-])C[C@H]1OCCc2ccccc21 ZINC000737499359 599719370 /nfs/dbraw/zinc/71/93/70/599719370.db2.gz DNMBLHZGFLKWBW-OAHLLOKOSA-N -1 1 301.342 2.724 20 0 DFADMM CCC1(C)CCN(CC(=O)N(C)c2ccccc2C(=O)[O-])CC1 ZINC000736929462 599752509 /nfs/dbraw/zinc/75/25/09/599752509.db2.gz LNNYESVPQNRODM-UHFFFAOYSA-N -1 1 318.417 2.860 20 0 DFADMM CC(C)(C)[C@H]1CCCN1CC(=O)Nc1ccsc1C(=O)[O-] ZINC000736253614 599792766 /nfs/dbraw/zinc/79/27/66/599792766.db2.gz YJMNDZCFUZEVSW-LLVKDONJSA-N -1 1 310.419 2.895 20 0 DFADMM CN(Cc1cc(C(=O)[O-])co1)C[C@H]1OCCc2ccccc21 ZINC000737454288 599852301 /nfs/dbraw/zinc/85/23/01/599852301.db2.gz IGXNEHQGOWCFRL-MRXNPFEDSA-N -1 1 301.342 2.724 20 0 DFADMM CC(C)c1ccccc1NC(=O)CN(C[C@H](C)C(=O)[O-])C1CC1 ZINC000736577606 599950986 /nfs/dbraw/zinc/95/09/86/599950986.db2.gz DVMPPUVAVJKHOB-ZDUSSCGKSA-N -1 1 318.417 2.934 20 0 DFADMM CC(C)c1cccc(NC(=O)CN(C[C@@H](C)C(=O)[O-])C2CC2)c1 ZINC000736578939 599951032 /nfs/dbraw/zinc/95/10/32/599951032.db2.gz QIEABWRHZLBQGK-CYBMUJFWSA-N -1 1 318.417 2.934 20 0 DFADMM CCOC(=O)N(C)C1CCN([C@@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC000737143893 599994981 /nfs/dbraw/zinc/99/49/81/599994981.db2.gz CDZOEKJBXIRQAT-NSHDSACASA-N -1 1 324.377 2.592 20 0 DFADMM CCCN1CCC[C@@H]1C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000737029552 600121957 /nfs/dbraw/zinc/12/19/57/600121957.db2.gz ANYVXIGBPSLEHL-CYBMUJFWSA-N -1 1 309.341 2.729 20 0 DFADMM O=C(CNC1(C(=O)[O-])CCCCC1)NC1CCCCCCC1 ZINC000739308481 600149758 /nfs/dbraw/zinc/14/97/58/600149758.db2.gz KPSSLLXTYGJJLA-UHFFFAOYSA-N -1 1 310.438 2.593 20 0 DFADMM CCC[C@@](C)(NCC(=O)N(Cc1ccccc1)C(C)C)C(=O)[O-] ZINC000736962160 600155831 /nfs/dbraw/zinc/15/58/31/600155831.db2.gz YZRGYHMDBNXESY-GOSISDBHSA-N -1 1 320.433 2.657 20 0 DFADMM CCCN1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000737030195 600203096 /nfs/dbraw/zinc/20/30/96/600203096.db2.gz MIWPLSNMJKJXFL-CYBMUJFWSA-N -1 1 310.781 2.851 20 0 DFADMM CCC[C@@](C)(NCC(=O)Nc1ccc(SC)cc1)C(=O)[O-] ZINC000736963673 600322746 /nfs/dbraw/zinc/32/27/46/600322746.db2.gz KPPRXDLJLJGSFZ-OAHLLOKOSA-N -1 1 310.419 2.580 20 0 DFADMM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCN(C2CCC2)CC1 ZINC000739515343 600410381 /nfs/dbraw/zinc/41/03/81/600410381.db2.gz HPCOXOWNOBGJPY-HNNXBMFYSA-N -1 1 308.809 2.636 20 0 DFADMM CCOc1ncccc1CN[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737222227 600421475 /nfs/dbraw/zinc/42/14/75/600421475.db2.gz MCUMPZFHEYAXCA-AWEZNQCLSA-N -1 1 304.321 2.535 20 0 DFADMM O=C([O-])[C@H](NCc1cccc2c1OCO2)c1cccc(Cl)c1 ZINC000739500590 600427921 /nfs/dbraw/zinc/42/79/21/600427921.db2.gz PYJXJLGHJWUFBA-CQSZACIVSA-N -1 1 319.744 2.984 20 0 DFADMM CC1(C)CN(CCOc2cccc(C(=O)[O-])c2)C(C)(C)CO1 ZINC000736735769 600627077 /nfs/dbraw/zinc/62/70/77/600627077.db2.gz QSOMTCWJAAWJHF-UHFFFAOYSA-N -1 1 307.390 2.653 20 0 DFADMM CC(C)[C@H](C(=O)OCc1ccc(C(=O)[O-])cc1)N1CCCCC1 ZINC000736349194 600735161 /nfs/dbraw/zinc/73/51/61/600735161.db2.gz IRLRTPJFQQUVCF-MRXNPFEDSA-N 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DFADMM CC(C)[C@@H](C(=O)OCc1ccccc1C(=O)[O-])N1CCCC1 ZINC000833466111 605510838 /nfs/dbraw/zinc/51/08/38/605510838.db2.gz SKMQSIBMIRONGX-HNNXBMFYSA-N -1 1 305.374 2.548 20 0 DFADMM O=C([O-])Nc1cccc(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000834268952 605597452 /nfs/dbraw/zinc/59/74/52/605597452.db2.gz NDVPXFBDCBDKQC-NWDGAFQWSA-N -1 1 318.295 2.664 20 0 DFADMM O=C([O-])Nc1cccc(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000834268954 605597764 /nfs/dbraw/zinc/59/77/64/605597764.db2.gz NDVPXFBDCBDKQC-VXGBXAGGSA-N -1 1 318.295 2.664 20 0 DFADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2cnc(C3CC3)s2)C1 ZINC000833815912 605604391 /nfs/dbraw/zinc/60/43/91/605604391.db2.gz XQGNBRKAOVHOHC-ZYHUDNBSSA-N -1 1 309.435 2.889 20 0 DFADMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2Cc1n[nH]c2ccccc12 ZINC000834162287 605609813 /nfs/dbraw/zinc/60/98/13/605609813.db2.gz SYWHUTPAQSDOGU-YHWZYXNKSA-N -1 1 314.389 2.716 20 0 DFADMM O=C([O-])N[C@H](CN[C@H](c1ccccc1)c1ccccn1)C1CC1 ZINC000834149964 605651733 /nfs/dbraw/zinc/65/17/33/605651733.db2.gz JWHGTLBOCRGHQR-IAGOWNOFSA-N -1 1 311.385 2.807 20 0 DFADMM O=C([O-])N[C@H](CN[C@@H](c1ccccc1)c1ccccn1)C1CC1 ZINC000834149966 605651920 /nfs/dbraw/zinc/65/19/20/605651920.db2.gz JWHGTLBOCRGHQR-SJORKVTESA-N -1 1 311.385 2.807 20 0 DFADMM O=C([O-])N[C@@H](CN[C@H](c1ccccc1)c1ccccn1)C1CC1 ZINC000834149963 605651970 /nfs/dbraw/zinc/65/19/70/605651970.db2.gz JWHGTLBOCRGHQR-DLBZAZTESA-N -1 1 311.385 2.807 20 0 DFADMM Cc1nn(C)cc1[C@H]1CCCN1Cc1ccc(NC(=O)[O-])nc1 ZINC000833919446 605672480 /nfs/dbraw/zinc/67/24/80/605672480.db2.gz KGNXYXAGKUCKMF-CQSZACIVSA-N -1 1 315.377 2.551 20 0 DFADMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1Cc1ccc(F)c(Cl)c1 ZINC000833834775 605683952 /nfs/dbraw/zinc/68/39/52/605683952.db2.gz REQNYVGMRUHSHP-KOLCDFICSA-N -1 1 300.761 2.957 20 0 DFADMM O=C([O-])Nc1ccc(CN[C@H](CO)c2ccc(Cl)cc2)cn1 ZINC000834260538 605787899 /nfs/dbraw/zinc/78/78/99/605787899.db2.gz TVDKSZKNBKUQFT-CYBMUJFWSA-N -1 1 321.764 2.648 20 0 DFADMM O=C([O-])N[C@@H]1C[C@H](N[C@@H]2CCCc3c[nH]nc32)c2ccccc21 ZINC000834160765 605805892 /nfs/dbraw/zinc/80/58/92/605805892.db2.gz WDOCELGBHBHTHH-QLFBSQMISA-N -1 1 312.373 2.830 20 0 DFADMM O=C([O-])N1CC[C@H]([N@@H+](C[C@H](O)c2ccc(Cl)cc2)C2CC2)C1 ZINC000834084525 605809299 /nfs/dbraw/zinc/80/92/99/605809299.db2.gz UUCRMQFMQPMMLS-GJZGRUSLSA-N -1 1 324.808 2.590 20 0 DFADMM Cc1nc2ccc(NC(=O)[C@]3(C)CCCN(C(=O)[O-])C3)cc2[nH]1 ZINC000833915811 605848975 /nfs/dbraw/zinc/84/89/75/605848975.db2.gz DOSRVKKOXKIOGM-MRXNPFEDSA-N -1 1 316.361 2.590 20 0 DFADMM CCc1oc(C(=O)[O-])cc1CN1CCC[C@H](OC(F)F)C1 ZINC000833678172 605857082 /nfs/dbraw/zinc/85/70/82/605857082.db2.gz KDHWVFRJGNXKJK-JTQLQIEISA-N -1 1 303.305 2.744 20 0 DFADMM C[C@@H]1C[C@H](CNC(=O)[O-])CN1Cc1ccc(F)cc1Cl ZINC000833833983 605910027 /nfs/dbraw/zinc/91/00/27/605910027.db2.gz LQSXMJZGSFYZDP-NXEZZACHSA-N -1 1 300.761 2.957 20 0 DFADMM O=C([O-])Nc1cccc(CN[C@H](CO)c2ccc(F)cc2)c1 ZINC000834269893 605935922 /nfs/dbraw/zinc/93/59/22/605935922.db2.gz VQQVDQBNUFGVHF-OAHLLOKOSA-N -1 1 304.321 2.739 20 0 DFADMM O=C([O-])NC[C@H]1CCCN(c2ccnc3cc(F)ccc32)C1 ZINC000834217115 605948697 /nfs/dbraw/zinc/94/86/97/605948697.db2.gz WNFMNWVGWFYUQB-LLVKDONJSA-N -1 1 303.337 2.858 20 0 DFADMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C[C@H](O)c1cccc(Cl)c1 ZINC000834096081 605964945 /nfs/dbraw/zinc/96/49/45/605964945.db2.gz RWVFWWABMAVPIF-ILXRZTDVSA-N -1 1 324.808 2.590 20 0 DFADMM O=C([O-])Nc1ccc(C(=O)Nc2ccccc2-c2nnc[nH]2)cc1 ZINC000834255262 605993295 /nfs/dbraw/zinc/99/32/95/605993295.db2.gz GXVJPHXSPJTFNT-UHFFFAOYSA-N -1 1 323.312 2.814 20 0 DFADMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1Cc1cc(Cl)cc2c1OCC2 ZINC000833827757 606029838 /nfs/dbraw/zinc/02/98/38/606029838.db2.gz AEGDKOIAMPUPBB-MNOVXSKESA-N -1 1 324.808 2.753 20 0 DFADMM C[C@@H](CCc1cccc(F)c1)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000833818072 606029892 /nfs/dbraw/zinc/02/98/92/606029892.db2.gz JKQHPWAFBROLKS-XEZPLFJOSA-N -1 1 324.396 2.504 20 0 DFADMM CC[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C1CCOCC1 ZINC000820925778 606042112 /nfs/dbraw/zinc/04/21/12/606042112.db2.gz LXAOBIAVKBBLIB-NSHDSACASA-N -1 1 322.800 2.532 20 0 DFADMM CC[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C1CCOCC1 ZINC000820925778 606042118 /nfs/dbraw/zinc/04/21/18/606042118.db2.gz LXAOBIAVKBBLIB-NSHDSACASA-N -1 1 322.800 2.532 20 0 DFADMM CN(Cc1nccs1)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821618184 606043609 /nfs/dbraw/zinc/04/36/09/606043609.db2.gz UKQKEGCANGHRQQ-UHFFFAOYSA-N -1 1 323.385 2.508 20 0 DFADMM CN(Cc1nccs1)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821618184 606043615 /nfs/dbraw/zinc/04/36/15/606043615.db2.gz UKQKEGCANGHRQQ-UHFFFAOYSA-N -1 1 323.385 2.508 20 0 DFADMM CCS[C@@H]1CCCC[C@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000821457066 606105415 /nfs/dbraw/zinc/10/54/15/606105415.db2.gz UMEMIVFWNVTDNA-ZYHUDNBSSA-N -1 1 304.423 2.738 20 0 DFADMM CCS[C@@H]1CCCC[C@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000821457066 606105417 /nfs/dbraw/zinc/10/54/17/606105417.db2.gz UMEMIVFWNVTDNA-ZYHUDNBSSA-N -1 1 304.423 2.738 20 0 DFADMM Cc1ccc2c(c1)N(c1ccc(Cl)c(-c3nnn[n-]3)n1)CC2 ZINC000822280676 606462843 /nfs/dbraw/zinc/46/28/43/606462843.db2.gz VXBANTAEUBRXRR-UHFFFAOYSA-N -1 1 312.764 2.918 20 0 DFADMM Cc1ccc2c(c1)N(c1ccc(Cl)c(-c3nn[n-]n3)n1)CC2 ZINC000822280676 606462845 /nfs/dbraw/zinc/46/28/45/606462845.db2.gz VXBANTAEUBRXRR-UHFFFAOYSA-N -1 1 312.764 2.918 20 0 DFADMM O=C(Oc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823455146 606486803 /nfs/dbraw/zinc/48/68/03/606486803.db2.gz XCPVAAIBOHDAIE-UHFFFAOYSA-N -1 1 306.734 2.801 20 0 DFADMM O=C(Oc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823455146 606486804 /nfs/dbraw/zinc/48/68/04/606486804.db2.gz XCPVAAIBOHDAIE-UHFFFAOYSA-N -1 1 306.734 2.801 20 0 DFADMM O=C(Nc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823363446 606487005 /nfs/dbraw/zinc/48/70/05/606487005.db2.gz DZIGMOVDXCKWNH-UHFFFAOYSA-N -1 1 305.750 2.834 20 0 DFADMM O=C(Nc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823363446 606487007 /nfs/dbraw/zinc/48/70/07/606487007.db2.gz DZIGMOVDXCKWNH-UHFFFAOYSA-N -1 1 305.750 2.834 20 0 DFADMM O=C(Nc1cc(Cl)ccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000823299282 606494616 /nfs/dbraw/zinc/49/46/16/606494616.db2.gz PSJZMTUBYZCFOE-UHFFFAOYSA-N -1 1 323.740 2.973 20 0 DFADMM O=C(Nc1cc(Cl)ccc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000823299282 606494617 /nfs/dbraw/zinc/49/46/17/606494617.db2.gz PSJZMTUBYZCFOE-UHFFFAOYSA-N -1 1 323.740 2.973 20 0 DFADMM O=C(Nc1nc(C2CC2)cs1)c1ccc(-c2nnn[n-]2)s1 ZINC000823380119 606507527 /nfs/dbraw/zinc/50/75/27/606507527.db2.gz RFFCFBJUIGOEPV-UHFFFAOYSA-N -1 1 318.387 2.514 20 0 DFADMM O=C(Nc1nc(C2CC2)cs1)c1ccc(-c2nn[n-]n2)s1 ZINC000823380119 606507529 /nfs/dbraw/zinc/50/75/29/606507529.db2.gz RFFCFBJUIGOEPV-UHFFFAOYSA-N -1 1 318.387 2.514 20 0 DFADMM O=C(Oc1cccc2ncccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823454059 606509344 /nfs/dbraw/zinc/50/93/44/606509344.db2.gz KJCGRECRQNVLLZ-UHFFFAOYSA-N -1 1 323.337 2.696 20 0 DFADMM O=C(Oc1cccc2ncccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823454059 606509346 /nfs/dbraw/zinc/50/93/46/606509346.db2.gz KJCGRECRQNVLLZ-UHFFFAOYSA-N -1 1 323.337 2.696 20 0 DFADMM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820678798 606564262 /nfs/dbraw/zinc/56/42/62/606564262.db2.gz YNHPBBFEZAPBAV-OUAUKWLOSA-N -1 1 317.418 2.721 20 0 DFADMM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820678798 606564264 /nfs/dbraw/zinc/56/42/64/606564264.db2.gz YNHPBBFEZAPBAV-OUAUKWLOSA-N -1 1 317.418 2.721 20 0 DFADMM CC1(C)CCC(NC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000820589416 606570707 /nfs/dbraw/zinc/57/07/07/606570707.db2.gz DXIWXOSUTWWRSE-UHFFFAOYSA-N -1 1 305.407 2.627 20 0 DFADMM CC1(C)CCC(NC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000820589416 606570708 /nfs/dbraw/zinc/57/07/08/606570708.db2.gz DXIWXOSUTWWRSE-UHFFFAOYSA-N -1 1 305.407 2.627 20 0 DFADMM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823144557 606575205 /nfs/dbraw/zinc/57/52/05/606575205.db2.gz IKYWVAFMHKTGAN-HBNTYKKESA-N -1 1 317.418 2.627 20 0 DFADMM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823144557 606575208 /nfs/dbraw/zinc/57/52/08/606575208.db2.gz IKYWVAFMHKTGAN-HBNTYKKESA-N -1 1 317.418 2.627 20 0 DFADMM C[C@@H]1CCCC[C@@H]1CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820698133 606651690 /nfs/dbraw/zinc/65/16/90/606651690.db2.gz QFDJXLKXMCXMEX-DGCLKSJQSA-N -1 1 315.377 2.521 20 0 DFADMM C[C@@H]1CCCC[C@@H]1CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820698133 606651691 /nfs/dbraw/zinc/65/16/91/606651691.db2.gz QFDJXLKXMCXMEX-DGCLKSJQSA-N -1 1 315.377 2.521 20 0 DFADMM CCC[C@@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000821040103 606875479 /nfs/dbraw/zinc/87/54/79/606875479.db2.gz INTWFVOHXOGYFC-SNVBAGLBSA-N -1 1 306.801 2.932 20 0 DFADMM CCC[C@@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000821040103 606875481 /nfs/dbraw/zinc/87/54/81/606875481.db2.gz INTWFVOHXOGYFC-SNVBAGLBSA-N -1 1 306.801 2.932 20 0 DFADMM CCC[C@@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000821040811 606875682 /nfs/dbraw/zinc/87/56/82/606875682.db2.gz SJZNRZHMGNHPFF-MRVPVSSYSA-N -1 1 312.830 2.993 20 0 DFADMM CCC[C@@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000821040811 606875684 /nfs/dbraw/zinc/87/56/84/606875684.db2.gz SJZNRZHMGNHPFF-MRVPVSSYSA-N -1 1 312.830 2.993 20 0 DFADMM Fc1cccc([C@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)c1 ZINC000826376841 607897770 /nfs/dbraw/zinc/89/77/70/607897770.db2.gz VCSSFAPKQCFDHN-CQSZACIVSA-N -1 1 310.336 2.742 20 0 DFADMM Fc1cccc([C@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)c1 ZINC000826376841 607897771 /nfs/dbraw/zinc/89/77/71/607897771.db2.gz VCSSFAPKQCFDHN-CQSZACIVSA-N -1 1 310.336 2.742 20 0 DFADMM CCCN(Cc1ccccc1F)c1cccc(-c2nnn[n-]2)n1 ZINC000825322903 607898066 /nfs/dbraw/zinc/89/80/66/607898066.db2.gz LGPUZUVSZURUGK-UHFFFAOYSA-N -1 1 312.352 2.817 20 0 DFADMM CCCN(Cc1ccccc1F)c1cccc(-c2nn[n-]n2)n1 ZINC000825322903 607898067 /nfs/dbraw/zinc/89/80/67/607898067.db2.gz LGPUZUVSZURUGK-UHFFFAOYSA-N -1 1 312.352 2.817 20 0 DFADMM O=Cc1ccc(Oc2cccc(F)c2-c2nnn[n-]2)c(F)c1 ZINC000826484183 607905509 /nfs/dbraw/zinc/90/55/09/607905509.db2.gz REVQIBPZCIGNME-UHFFFAOYSA-N -1 1 302.240 2.750 20 0 DFADMM O=Cc1ccc(Oc2cccc(F)c2-c2nn[n-]n2)c(F)c1 ZINC000826484183 607905510 /nfs/dbraw/zinc/90/55/10/607905510.db2.gz REVQIBPZCIGNME-UHFFFAOYSA-N -1 1 302.240 2.750 20 0 DFADMM CC1CCC(=CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CC1 ZINC000824901279 607997458 /nfs/dbraw/zinc/99/74/58/607997458.db2.gz YHTZOTQUBKVRGM-UHFFFAOYSA-N -1 1 313.361 2.647 20 0 DFADMM Clc1nsc(N2CCC[C@H]2C2CCC2)c1-c1nnn[n-]1 ZINC000826353823 608182520 /nfs/dbraw/zinc/18/25/20/608182520.db2.gz FJYWHSUIDBYFHH-QMMMGPOBSA-N -1 1 310.814 2.746 20 0 DFADMM Clc1nsc(N2CCC[C@H]2C2CCC2)c1-c1nn[n-]n1 ZINC000826353823 608182523 /nfs/dbraw/zinc/18/25/23/608182523.db2.gz FJYWHSUIDBYFHH-QMMMGPOBSA-N -1 1 310.814 2.746 20 0 DFADMM Cc1ccc(CCNc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826287145 608184368 /nfs/dbraw/zinc/18/43/68/608184368.db2.gz FDTYLDDESVGZOA-UHFFFAOYSA-N -1 1 320.809 2.940 20 0 DFADMM Cc1ccc(CCNc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826287145 608184370 /nfs/dbraw/zinc/18/43/70/608184370.db2.gz FDTYLDDESVGZOA-UHFFFAOYSA-N -1 1 320.809 2.940 20 0 DFADMM CC[C@@H](C)CN(CC)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825067362 608188747 /nfs/dbraw/zinc/18/87/47/608188747.db2.gz JULWEZNFYMVOBO-SSDOTTSWSA-N -1 1 300.819 2.849 20 0 DFADMM CC[C@@H](C)CN(CC)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825067362 608188748 /nfs/dbraw/zinc/18/87/48/608188748.db2.gz JULWEZNFYMVOBO-SSDOTTSWSA-N -1 1 300.819 2.849 20 0 DFADMM CC(C)c1ccc(C[C@@H](C)Nc2nccnc2-c2nnn[n-]2)cc1 ZINC000824457203 608305987 /nfs/dbraw/zinc/30/59/87/608305987.db2.gz HFCOPPXKCLEEMD-GFCCVEGCSA-N -1 1 323.404 2.823 20 0 DFADMM CC(C)c1ccc(C[C@@H](C)Nc2nccnc2-c2nn[n-]n2)cc1 ZINC000824457203 608305989 /nfs/dbraw/zinc/30/59/89/608305989.db2.gz HFCOPPXKCLEEMD-GFCCVEGCSA-N -1 1 323.404 2.823 20 0 DFADMM CC(C)OCC(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000824309861 608348376 /nfs/dbraw/zinc/34/83/76/608348376.db2.gz XRPXFAPWKMPNLS-UHFFFAOYSA-N -1 1 323.422 2.589 20 0 DFADMM CC(C)OCC(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000824309861 608348378 /nfs/dbraw/zinc/34/83/78/608348378.db2.gz XRPXFAPWKMPNLS-UHFFFAOYSA-N -1 1 323.422 2.589 20 0 DFADMM CC(C)C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC000824237164 608391385 /nfs/dbraw/zinc/39/13/85/608391385.db2.gz RIYLLENLSHTSPV-CQSZACIVSA-N -1 1 309.377 2.856 20 0 DFADMM CC(C)C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC000824237164 608391386 /nfs/dbraw/zinc/39/13/86/608391386.db2.gz RIYLLENLSHTSPV-CQSZACIVSA-N -1 1 309.377 2.856 20 0 DFADMM Cc1ccccc1[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC000826305716 608418024 /nfs/dbraw/zinc/41/80/24/608418024.db2.gz GUILKUOIAYEAQZ-HNNXBMFYSA-N -1 1 309.377 2.774 20 0 DFADMM Cc1ccccc1[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC000826305716 608418025 /nfs/dbraw/zinc/41/80/25/608418025.db2.gz GUILKUOIAYEAQZ-HNNXBMFYSA-N -1 1 309.377 2.774 20 0 DFADMM CCC(C)(C)c1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000825044097 608435831 /nfs/dbraw/zinc/43/58/31/608435831.db2.gz 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/nfs/dbraw/zinc/88/85/52/608888552.db2.gz VGZRDFBTDHQAIO-UHFFFAOYSA-N -1 1 320.809 2.899 20 0 DFADMM Clc1ccccc1SCCCn1ccnc1-c1nn[n-]n1 ZINC000826354249 608888553 /nfs/dbraw/zinc/88/85/53/608888553.db2.gz VGZRDFBTDHQAIO-UHFFFAOYSA-N -1 1 320.809 2.899 20 0 DFADMM Cc1nc2cc(Nc3cccc(-c4nnn[n-]4)n3)ccc2s1 ZINC000826328811 609317160 /nfs/dbraw/zinc/31/71/60/609317160.db2.gz DTTWWLATINMWBJ-UHFFFAOYSA-N -1 1 309.358 2.923 20 0 DFADMM Cc1nc2cc(Nc3cccc(-c4nn[n-]n4)n3)ccc2s1 ZINC000826328811 609317162 /nfs/dbraw/zinc/31/71/62/609317162.db2.gz DTTWWLATINMWBJ-UHFFFAOYSA-N -1 1 309.358 2.923 20 0 DFADMM CC(C)C[C@@H](C)C[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824228746 609362713 /nfs/dbraw/zinc/36/27/13/609362713.db2.gz KIYLCSFHSKHMLX-NEPJUHHUSA-N -1 1 317.393 2.879 20 0 DFADMM CC(C)C[C@@H](C)C[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824228746 609362716 /nfs/dbraw/zinc/36/27/16/609362716.db2.gz KIYLCSFHSKHMLX-NEPJUHHUSA-N -1 1 317.393 2.879 20 0 DFADMM CN(C[C@H]1CC=CCC1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825907673 609594368 /nfs/dbraw/zinc/59/43/68/609594368.db2.gz AUIJIWNNABFAMV-QMMMGPOBSA-N -1 1 310.814 2.769 20 0 DFADMM CN(C[C@H]1CC=CCC1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825907673 609594371 /nfs/dbraw/zinc/59/43/71/609594371.db2.gz AUIJIWNNABFAMV-QMMMGPOBSA-N -1 1 310.814 2.769 20 0 DFADMM Cc1noc(C)c1CCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000278263668 214054515 /nfs/dbraw/zinc/05/45/15/214054515.db2.gz UZPYVJDZHMKLHF-UHFFFAOYSA-N -1 1 303.293 2.971 20 0 DFADMM O=C([O-])[C@H](CC1CCCCC1)NC(=O)c1n[nH]c2ccccc21 ZINC000323942389 231220734 /nfs/dbraw/zinc/22/07/34/231220734.db2.gz UKGOIEDRSMSPPA-AWEZNQCLSA-N -1 1 315.373 2.716 20 0 DFADMM [O-]c1cccc(CNc2cccc(-n3cnnn3)c2)c1Cl ZINC000328372918 231229687 /nfs/dbraw/zinc/22/96/87/231229687.db2.gz QPCQVLXPHVELGI-UHFFFAOYSA-N -1 1 301.737 2.633 20 0 DFADMM CCc1nnc([N-]C(=O)c2cc(F)c(F)c(F)c2F)s1 ZINC000006634197 398355530 /nfs/dbraw/zinc/35/55/30/398355530.db2.gz PBTSIKKFAHSJEV-UHFFFAOYSA-N -1 1 305.256 2.909 20 0 DFADMM CCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2)c1 ZINC000007323455 398361803 /nfs/dbraw/zinc/36/18/03/398361803.db2.gz LSEBDNSOVHIYKZ-UHFFFAOYSA-N -1 1 319.382 2.836 20 0 DFADMM CCO[C@@H]1C[C@H](N(C)C(=O)c2cc(F)ccc2[O-])C12CCC2 ZINC000092756579 185338310 /nfs/dbraw/zinc/33/83/10/185338310.db2.gz ZGNNPSKNUKIGME-LSDHHAIUSA-N -1 1 307.365 2.951 20 0 DFADMM CCc1cccc(NC(=O)NCCn2c(C)n[n-]c2=S)c1 ZINC000084294536 398397015 /nfs/dbraw/zinc/39/70/15/398397015.db2.gz KZZIBCIUPQKBNL-UHFFFAOYSA-N -1 1 305.407 2.633 20 0 DFADMM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000016726212 398402158 /nfs/dbraw/zinc/40/21/58/398402158.db2.gz SIKSZQZUMYPUGU-UHFFFAOYSA-N -1 1 318.398 2.710 20 0 DFADMM C[C@@H]1CCCN(C(=O)Cn2c(=S)[n-]nc2-c2cccs2)C1 ZINC000016642379 398402211 /nfs/dbraw/zinc/40/22/11/398402211.db2.gz UTGCJVYFMDAWMY-SNVBAGLBSA-N -1 1 322.459 2.928 20 0 DFADMM CC(C)NC(=O)Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1 ZINC000017301217 398404046 /nfs/dbraw/zinc/40/40/46/398404046.db2.gz RDWIJMOHCBBYIW-UHFFFAOYSA-N -1 1 310.810 2.786 20 0 DFADMM CC[C@H](CSC)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000181620173 199328345 /nfs/dbraw/zinc/32/83/45/199328345.db2.gz DUUOCKSYENOLCC-SSDOTTSWSA-N -1 1 313.366 2.524 20 0 DFADMM CCn1cc(C2CCN(Cc3cc(C(=O)[O-])co3)CC2)cn1 ZINC000584785763 398412877 /nfs/dbraw/zinc/41/28/77/398412877.db2.gz PQTOIOWCJBIFCH-UHFFFAOYSA-N -1 1 303.362 2.574 20 0 DFADMM CCC[C@@H](CC)S(=O)(=O)[N-]c1ccc(F)cc1C(=O)OC ZINC000584841329 398421125 /nfs/dbraw/zinc/42/11/25/398421125.db2.gz GEQJSUGOZJKKLT-LLVKDONJSA-N -1 1 317.382 2.933 20 0 DFADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000026252867 398451428 /nfs/dbraw/zinc/45/14/28/398451428.db2.gz RJXDQCXBCWCSLY-IUCAKERBSA-N -1 1 314.242 2.705 20 0 DFADMM O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccc([O-])c(Cl)c1 ZINC000067739012 398454150 /nfs/dbraw/zinc/45/41/50/398454150.db2.gz DZVCROVAOLNKRG-UHFFFAOYSA-N -1 1 319.670 2.900 20 0 DFADMM C[C@@H](COCC(F)(F)F)NC(=O)c1cc(Cl)ccc1[O-] ZINC000049401353 282389991 /nfs/dbraw/zinc/38/99/91/282389991.db2.gz 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O=S(=O)(C[C@@H]1CCCCO1)[N-]c1ccc2ncsc2c1 ZINC000172590357 198118839 /nfs/dbraw/zinc/11/88/39/198118839.db2.gz KKFFQOUZABQJIK-NSHDSACASA-N -1 1 312.416 2.607 20 0 DFADMM CCO[C@@H]1C[C@@H](N(C)C(=O)c2cncc([O-])c2)C12CCCC2 ZINC000172626036 198127296 /nfs/dbraw/zinc/12/72/96/198127296.db2.gz JDWYVROWKLCBIX-HUUCEWRRSA-N -1 1 304.390 2.597 20 0 DFADMM CCO[C@H]1C[C@@H](N(C)C(=O)c2cncc([O-])c2)C12CCCC2 ZINC000172626039 198127716 /nfs/dbraw/zinc/12/77/16/198127716.db2.gz JDWYVROWKLCBIX-CABCVRRESA-N -1 1 304.390 2.597 20 0 DFADMM COc1cc(F)ccc1NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000121794999 282817364 /nfs/dbraw/zinc/81/73/64/282817364.db2.gz AQORTJMGSNUURE-UHFFFAOYSA-N -1 1 318.304 2.751 20 0 DFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H](C(=O)OC(C)(C)C)C1CCCC1 ZINC000597694764 398681206 /nfs/dbraw/zinc/68/12/06/398681206.db2.gz WTWKYRXFSANICS-LLVKDONJSA-N -1 1 323.393 2.510 20 0 DFADMM CSC(C)(C)C[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000173236568 198198980 /nfs/dbraw/zinc/19/89/80/198198980.db2.gz 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0 DFADMM O=C(c1ncc2ccccc2c1[O-])N1CC[C@@]2(CC2(F)F)C1 ZINC000616586225 399487112 /nfs/dbraw/zinc/48/71/12/399487112.db2.gz BUHGXZWOFHZZHK-OAHLLOKOSA-N -1 1 304.296 2.812 20 0 DFADMM Cc1nc(C(=O)[N-]c2cnoc2)nn1-c1ccccc1C(C)C ZINC000623938782 399499150 /nfs/dbraw/zinc/49/91/50/399499150.db2.gz FBPRAFIDHUBOKV-UHFFFAOYSA-N -1 1 311.345 2.939 20 0 DFADMM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C[C@]1(C)CO ZINC000620466732 399504088 /nfs/dbraw/zinc/50/40/88/399504088.db2.gz UJZOACDLJMCYHJ-LKFCYVNXSA-N -1 1 317.307 2.502 20 0 DFADMM Cc1ccc(S(=O)(=O)[N-]C[C@]2(C)CC2(F)F)c(F)c1F ZINC000625281782 399507041 /nfs/dbraw/zinc/50/70/41/399507041.db2.gz SRKNCDYSXPWVDS-NSHDSACASA-N -1 1 311.300 2.597 20 0 DFADMM COC(=O)[C@H]1CCCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000176116554 291825503 /nfs/dbraw/zinc/82/55/03/291825503.db2.gz VASKSNWRVMJKBV-OAHLLOKOSA-N -1 1 313.353 2.713 20 0 DFADMM Cc1cc(S(=O)(=O)[N-][C@H]2CCCOc3ccccc32)sn1 ZINC000631866076 399512442 /nfs/dbraw/zinc/51/24/42/399512442.db2.gz SVZANRWZNGMYSY-LBPRGKRZSA-N -1 1 324.427 2.644 20 0 DFADMM Cc1ccccc1CN(Cc1nc(=O)n(C)[n-]1)Cc1ccccc1 ZINC000347399435 285032673 /nfs/dbraw/zinc/03/26/73/285032673.db2.gz KCVNRZWOFOFJDS-UHFFFAOYSA-N -1 1 322.412 2.619 20 0 DFADMM O=C(CSc1nc([O-])cc(=O)n1C1CCCC1)c1ccoc1 ZINC000629126303 399517444 /nfs/dbraw/zinc/51/74/44/399517444.db2.gz UYINFEJCNYVBCX-UHFFFAOYSA-N -1 1 320.370 2.632 20 0 DFADMM CCC[C@H](C[N-]S(=O)(=O)c1c(F)cccc1Cl)OCC ZINC000625331968 399523764 /nfs/dbraw/zinc/52/37/64/399523764.db2.gz KOVQIENYTNBMIU-SNVBAGLBSA-N -1 1 323.817 2.963 20 0 DFADMM CCC[C@H](C[N-]S(=O)(=O)c1sccc1Cl)OCC ZINC000625342207 399527153 /nfs/dbraw/zinc/52/71/53/399527153.db2.gz SPPGNDQTYZQOBZ-SECBINFHSA-N -1 1 311.856 2.885 20 0 DFADMM CCc1nc(SCc2noc(C3CCC3)n2)[n-]c(=O)c1C ZINC000629184035 399537283 /nfs/dbraw/zinc/53/72/83/399537283.db2.gz IFJVGUVRXAGTPI-UHFFFAOYSA-N -1 1 306.391 2.996 20 0 DFADMM CSc1nc(C)c(CCC(=O)N[C@]2(C)CC=CCC2)c(=O)[n-]1 ZINC000331358973 533073472 /nfs/dbraw/zinc/07/34/72/533073472.db2.gz VWLKJRMSAFKENM-MRXNPFEDSA-N -1 1 321.446 2.760 20 0 DFADMM COC[C@H](NCc1nc(=O)c2sccc2[n-]1)c1ccccc1 ZINC000299686775 533093768 /nfs/dbraw/zinc/09/37/68/533093768.db2.gz NNVPNCZLWCKBPP-ZDUSSCGKSA-N -1 1 315.398 2.874 20 0 DFADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)c1 ZINC000158486007 197277409 /nfs/dbraw/zinc/27/74/09/197277409.db2.gz FFMSKOBBKBPIFC-UHFFFAOYSA-N -1 1 321.402 2.927 20 0 DFADMM C[C@@]1(C[N-]S(=O)(=O)c2ccc(C(F)F)o2)CCCS1 ZINC000632097093 399568325 /nfs/dbraw/zinc/56/83/25/399568325.db2.gz MQMZAVCGUPRCOI-NSHDSACASA-N -1 1 311.375 2.781 20 0 DFADMM CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1cnc(C)s1 ZINC000625494050 399571119 /nfs/dbraw/zinc/57/11/19/399571119.db2.gz BGWHZZCAZDLTJJ-UHFFFAOYSA-N -1 1 312.407 2.801 20 0 DFADMM Cc1ccc2c([n-]cc(C(=O)N(C)Cc3ccsc3)c2=O)[nH+]1 ZINC000612071047 399571177 /nfs/dbraw/zinc/57/11/77/399571177.db2.gz LDDSWJGBUYLZSM-UHFFFAOYSA-N -1 1 313.382 2.978 20 0 DFADMM Cc1ccc2c(n1)[n-]cc(C(=O)N(C)Cc1ccsc1)c2=O ZINC000612071047 399571190 /nfs/dbraw/zinc/57/11/90/399571190.db2.gz LDDSWJGBUYLZSM-UHFFFAOYSA-N -1 1 313.382 2.978 20 0 DFADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C(C)C)cc2)co1 ZINC000157794645 197215567 /nfs/dbraw/zinc/21/55/67/197215567.db2.gz IWBSXUMMWNYHGU-UHFFFAOYSA-N -1 1 322.386 2.563 20 0 DFADMM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C[C@H]1C[C@@H]1C)CC2 ZINC000629359867 399577614 /nfs/dbraw/zinc/57/76/14/399577614.db2.gz ANGRSKRAMRQXEY-LNSITVRQSA-N -1 1 319.401 2.734 20 0 DFADMM O=C([O-])[C@@H]1CN(Cc2cc(CO)ccc2F)Cc2ccccc21 ZINC000629359778 399578040 /nfs/dbraw/zinc/57/80/40/399578040.db2.gz AUYXFNWXHWPREE-MRXNPFEDSA-N -1 1 315.344 2.502 20 0 DFADMM COc1cc(C(=O)NCCC2CC(OC)C2)cc(Cl)c1[O-] ZINC000617026131 399581425 /nfs/dbraw/zinc/58/14/25/399581425.db2.gz CNWIUSQQZGCGGT-UHFFFAOYSA-N -1 1 313.781 2.599 20 0 DFADMM Cc1ccc(CN2CCC(c3ncc(C(=O)[O-])s3)CC2)nc1 ZINC000629369373 399581609 /nfs/dbraw/zinc/58/16/09/399581609.db2.gz XZUQADIKFHQKRU-UHFFFAOYSA-N -1 1 317.414 2.924 20 0 DFADMM O=C([O-])c1cccc(CN2C[C@H](O)C[C@H]2c2ccc(F)cc2)c1 ZINC000263496221 304260550 /nfs/dbraw/zinc/26/05/50/304260550.db2.gz SYQGTDFCPKHMPV-SJORKVTESA-N -1 1 315.344 2.832 20 0 DFADMM CC(C)c1ccc([C@@H]2CCCN2C(=O)CCc2nn[n-]n2)cc1 ZINC000632164443 399589149 /nfs/dbraw/zinc/58/91/49/399589149.db2.gz QVCILTRZNRSGDP-HNNXBMFYSA-N -1 1 313.405 2.619 20 0 DFADMM O=C(Nc1ccc(N2CCC(O)CC2)cc1)c1ccccc1[O-] ZINC000156859547 197146027 /nfs/dbraw/zinc/14/60/27/197146027.db2.gz NFWWNVCNPYEQMU-UHFFFAOYSA-N -1 1 312.369 2.606 20 0 DFADMM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(F)F)o2)CCO1 ZINC000632178066 399594553 /nfs/dbraw/zinc/59/45/53/399594553.db2.gz KKCPRNCSTFFRLL-KOLCDFICSA-N -1 1 323.361 2.699 20 0 DFADMM CCCC1(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)CC1 ZINC000347832572 285195440 /nfs/dbraw/zinc/19/54/40/285195440.db2.gz PBXDYLBHYYXZJE-UHFFFAOYSA-N -1 1 307.337 2.963 20 0 DFADMM CC(C)CO[N-]C(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1 ZINC000156459050 197115061 /nfs/dbraw/zinc/11/50/61/197115061.db2.gz QAAWCBKWESAUOO-GOSISDBHSA-N -1 1 318.417 2.633 20 0 DFADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC[C@@H]1[C@H]1CCCC1=O ZINC000632196253 399600292 /nfs/dbraw/zinc/60/02/92/399600292.db2.gz TWXLSMSEXBXZOM-TZMCWYRMSA-N -1 1 321.804 2.948 20 0 DFADMM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCc3sccc32)sn1 ZINC000632223428 399609716 /nfs/dbraw/zinc/60/97/16/399609716.db2.gz YZZCAMKYLJHNSM-SNVBAGLBSA-N -1 1 314.457 2.869 20 0 DFADMM O=S(=O)([N-]C[C@H]1CC=CCC1)c1ccc(F)c(F)c1F ZINC000049282576 542443218 /nfs/dbraw/zinc/44/32/18/542443218.db2.gz GOMCAVQODZPAMI-VIFPVBQESA-N -1 1 305.321 2.739 20 0 DFADMM O=C([O-])C[C@H]1CCCN(Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000054299340 542450334 /nfs/dbraw/zinc/45/03/34/542450334.db2.gz YDFLFXITKOOWBQ-SNVBAGLBSA-N -1 1 311.765 2.755 20 0 DFADMM O=C([O-])[C@H]1CCCN(Cc2coc(-c3ccccc3F)n2)C1 ZINC000629488258 399620039 /nfs/dbraw/zinc/62/00/39/399620039.db2.gz JCBINVPVZNMASI-NSHDSACASA-N -1 1 304.321 2.777 20 0 DFADMM O=C([O-])[C@@H]1CCCN(Cc2coc(-c3ccccc3F)n2)C1 ZINC000629488254 399620206 /nfs/dbraw/zinc/62/02/06/399620206.db2.gz JCBINVPVZNMASI-LLVKDONJSA-N -1 1 304.321 2.777 20 0 DFADMM C[C@@H]1C[N@@H+](Cc2coc(-c3ccccc3F)n2)C[C@H]1C(=O)[O-] ZINC000629489886 399620784 /nfs/dbraw/zinc/62/07/84/399620784.db2.gz CMJKMBDAEHXMGH-ZWNOBZJWSA-N -1 1 304.321 2.633 20 0 DFADMM Cc1sc(NC(=O)CN2CC[C@@H](C(=O)[O-])[C@H](C)C2)c(C)c1C ZINC000629495195 399621612 /nfs/dbraw/zinc/62/16/12/399621612.db2.gz HDTBHDAGJHBLHR-NOZJJQNGSA-N -1 1 324.446 2.654 20 0 DFADMM CC(C)(C)[C@H]1C[C@H](NC(=O)c2c(F)ccc([O-])c2F)CCO1 ZINC000289475678 221001109 /nfs/dbraw/zinc/00/11/09/221001109.db2.gz PYOYZTUZMOSWIH-BXKDBHETSA-N -1 1 313.344 2.994 20 0 DFADMM CC(C)(C)[C@H]1C[C@@H](NC(=O)c2c(F)ccc([O-])c2F)CCO1 ZINC000289475690 221002482 /nfs/dbraw/zinc/00/24/82/221002482.db2.gz PYOYZTUZMOSWIH-JOYOIKCWSA-N -1 1 313.344 2.994 20 0 DFADMM Cc1[nH]c2ccccc2c1C(=O)CN1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000629501387 399625261 /nfs/dbraw/zinc/62/52/61/399625261.db2.gz UGKVUODERRNJQU-AAEUAGOBSA-N -1 1 314.385 2.702 20 0 DFADMM Cc1nnc(C[N-]c2nc(-c3ccc(C)cc3)no2)n1C1CC1 ZINC000289571809 221075947 /nfs/dbraw/zinc/07/59/47/221075947.db2.gz HXXUNZCIWVORAL-UHFFFAOYSA-N -1 1 310.361 2.892 20 0 DFADMM COC(=O)c1ccoc1CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000289582840 221083373 /nfs/dbraw/zinc/08/33/73/221083373.db2.gz RLPWOHULNRNRAS-UHFFFAOYSA-N -1 1 316.285 2.792 20 0 DFADMM CCO[C@H]1C[C@@H](NC(=O)c2c(F)ccc([O-])c2F)C12CCC2 ZINC000289558690 221066972 /nfs/dbraw/zinc/06/69/72/221066972.db2.gz RQIDQPLRFNZBDH-NEPJUHHUSA-N -1 1 311.328 2.748 20 0 DFADMM CCC[C@H](C)NC(=O)[C@@H](C)Sc1nc(C(F)F)cc(=O)[n-]1 ZINC000289659186 221135977 /nfs/dbraw/zinc/13/59/77/221135977.db2.gz XUGDCRVVQRKDQJ-JGVFFNPUSA-N -1 1 319.377 2.905 20 0 DFADMM O=S(=O)(C[C@H]1CCCC(F)(F)C1)[N-]C1(C(F)F)CC1 ZINC000632309313 399632320 /nfs/dbraw/zinc/63/23/20/399632320.db2.gz ATROVNAUOGECHQ-QMMMGPOBSA-N -1 1 303.321 2.529 20 0 DFADMM Cc1nc(CCNC(=O)c2c(F)ccc([O-])c2F)sc1C ZINC000289799199 221235371 /nfs/dbraw/zinc/23/53/71/221235371.db2.gz MQQRSHYHSQFROU-UHFFFAOYSA-N -1 1 312.341 2.716 20 0 DFADMM CCOc1ccc(CNC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000348055981 285321283 /nfs/dbraw/zinc/32/12/83/285321283.db2.gz WZQPORCAIBIHII-UHFFFAOYSA-N -1 1 307.296 2.999 20 0 DFADMM CN(C[C@H]1CCCC[C@H]1O)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632329778 399638315 /nfs/dbraw/zinc/63/83/15/399638315.db2.gz YCXWYNOSSMHKHD-TZMCWYRMSA-N -1 1 311.809 2.598 20 0 DFADMM O=S(=O)(C[C@@H]1CCC(F)(F)C1)[N-]C1(C(F)F)CCCC1 ZINC000632341140 399641303 /nfs/dbraw/zinc/64/13/03/399641303.db2.gz ZHPALGNCCCAVJM-SECBINFHSA-N -1 1 317.348 2.919 20 0 DFADMM O=S(=O)([N-]CCOCC1CCCC1)c1ccc(C(F)F)o1 ZINC000632432247 399661927 /nfs/dbraw/zinc/66/19/27/399661927.db2.gz ILHKYMZSZSLXJM-UHFFFAOYSA-N -1 1 323.361 2.702 20 0 DFADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC[C@H](OC(F)F)C1 ZINC000632370802 399648697 /nfs/dbraw/zinc/64/86/97/399648697.db2.gz KVEGSQIULJQZKW-JTQLQIEISA-N -1 1 319.735 2.818 20 0 DFADMM C[C@@]1(C2CC2)CN(C(=O)c2ncc3ccccc3c2[O-])CCO1 ZINC000617387471 399685588 /nfs/dbraw/zinc/68/55/88/399685588.db2.gz FAEQYWWHXKXXCP-SFHVURJKSA-N -1 1 312.369 2.582 20 0 DFADMM CC(C)(C)OCCC[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632556272 399690405 /nfs/dbraw/zinc/69/04/05/399690405.db2.gz CZIUYPNAEQKNDX-UHFFFAOYSA-N -1 1 311.350 2.701 20 0 DFADMM O=S(=O)([N-][C@H]1CCCC12CC2)c1ncccc1C(F)(F)F ZINC000632612837 399699968 /nfs/dbraw/zinc/69/99/68/399699968.db2.gz ATUJNFMSBIDZGH-JTQLQIEISA-N -1 1 320.336 2.711 20 0 DFADMM CC(C)(F)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000632608838 399700327 /nfs/dbraw/zinc/70/03/27/399700327.db2.gz ICHHCHBACJBOKW-UHFFFAOYSA-N -1 1 316.217 2.537 20 0 DFADMM CCOC(=O)c1nc([C@@H](C)NC(=O)C2(C)CCCCCC2)n[n-]1 ZINC000603153734 399697086 /nfs/dbraw/zinc/69/70/86/399697086.db2.gz JPYMTUFYSWTUFD-LLVKDONJSA-N -1 1 322.409 2.519 20 0 DFADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)C2(C)CCCCCC2)[n-]1 ZINC000603153734 399697090 /nfs/dbraw/zinc/69/70/90/399697090.db2.gz 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Cc1ccc(C=CC(=O)NCc2n[n-]c(=S)n2C)cc1Cl ZINC000067050038 425908316 /nfs/dbraw/zinc/90/83/16/425908316.db2.gz RGPLOKDARMJUCG-AATRIKPKSA-N -1 1 322.821 2.769 20 0 DFADMM O=C(NCCc1n[n-]c(=S)n1C1CC1)c1cccc(Cl)c1 ZINC000067079373 425908416 /nfs/dbraw/zinc/90/84/16/425908416.db2.gz BAQULWDITVZRHD-UHFFFAOYSA-N -1 1 322.821 2.901 20 0 DFADMM O=C(NCCc1n[n-]c(=S)n1C1CC1)c1ccccc1Cl ZINC000067078600 425908495 /nfs/dbraw/zinc/90/84/95/425908495.db2.gz WWNHZNIOLYAQPP-UHFFFAOYSA-N -1 1 322.821 2.901 20 0 DFADMM Cn1c(CNC(=O)CCCCCc2cccs2)n[n-]c1=S ZINC000067300523 425909846 /nfs/dbraw/zinc/90/98/46/425909846.db2.gz CFOHADUAFQSRNH-UHFFFAOYSA-N -1 1 324.475 2.958 20 0 DFADMM CCC[C@@H](CC1CCCC1)C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000124569405 425926828 /nfs/dbraw/zinc/92/68/28/425926828.db2.gz CPUSXCSCVYPUEZ-OCCSQVGLSA-N -1 1 307.442 2.758 20 0 DFADMM CC1(C)C[C@H]1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000124600505 425928278 /nfs/dbraw/zinc/92/82/78/425928278.db2.gz IHCSPMFWOOMMOV-HNNXBMFYSA-N -1 1 301.386 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ZINC000317020894 268345138 /nfs/dbraw/zinc/34/51/38/268345138.db2.gz KRQZIXFGCWEICV-UHFFFAOYSA-N -1 1 301.342 2.578 20 0 DFADMM Cc1nc([C@@H](C)Sc2nc(C(F)(F)F)cc(=O)[n-]2)no1 ZINC000331343402 268356524 /nfs/dbraw/zinc/35/65/24/268356524.db2.gz UHOOVHVSWKRQOT-SCSAIBSYSA-N -1 1 306.269 2.746 20 0 DFADMM CC(C)n1ncc2c1C[C@@H](NC(=O)c1c([O-])cccc1F)CC2 ZINC000332688989 268361868 /nfs/dbraw/zinc/36/18/68/268361868.db2.gz WBJTUFLDWRQZTE-LBPRGKRZSA-N -1 1 317.364 2.596 20 0 DFADMM Cc1ccnc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000332708703 268363158 /nfs/dbraw/zinc/36/31/58/268363158.db2.gz ZNTZSKYOLARYEC-UHFFFAOYSA-N -1 1 302.399 2.988 20 0 DFADMM Cc1cccnc1CNC(=O)c1ccc(Br)cc1[O-] ZINC000071345345 425986191 /nfs/dbraw/zinc/98/61/91/425986191.db2.gz GRLUXOZLIQSZDU-UHFFFAOYSA-N -1 1 321.174 2.788 20 0 DFADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)CCCC(C)C)o1 ZINC000107697837 426001214 /nfs/dbraw/zinc/00/12/14/426001214.db2.gz VNPWGHIRHRSIOH-LLVKDONJSA-N -1 1 317.407 2.559 20 0 DFADMM COc1ccc(OC)c(CN[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000336852230 268439715 /nfs/dbraw/zinc/43/97/15/268439715.db2.gz MFJUZYGFOJTQDH-MRXNPFEDSA-N -1 1 301.342 2.619 20 0 DFADMM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2C ZINC000104754264 425965852 /nfs/dbraw/zinc/96/58/52/425965852.db2.gz YPPFVGJCGUMZRF-CQSZACIVSA-N -1 1 306.387 2.566 20 0 DFADMM C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1sccc1Br ZINC000070836109 425976885 /nfs/dbraw/zinc/97/68/85/425976885.db2.gz VYDPCYXFMXQSRN-APPZFPTMSA-N -1 1 324.265 2.978 20 0 DFADMM C[C@@H](CNC(=O)c1c([O-])cccc1F)Oc1ccc(F)cc1 ZINC000126688280 426031995 /nfs/dbraw/zinc/03/19/95/426031995.db2.gz GBQNBLIZIGAOJP-JTQLQIEISA-N -1 1 307.296 2.868 20 0 DFADMM CC(C)(CNC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccccc1 ZINC000073890119 426032936 /nfs/dbraw/zinc/03/29/36/426032936.db2.gz UBXVLCTUVQTDSY-UHFFFAOYSA-N -1 1 321.380 2.631 20 0 DFADMM O=C(N[C@@H]1CCCc2ccccc21)c1nc2ccccc2c(=O)[n-]1 ZINC000074272215 426044615 /nfs/dbraw/zinc/04/46/15/426044615.db2.gz KXIHIZBEDAIFPZ-OAHLLOKOSA-N -1 1 319.364 2.731 20 0 DFADMM O=C(c1cncc([O-])c1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000111607963 426053486 /nfs/dbraw/zinc/05/34/86/426053486.db2.gz DXKOGELQEUGDDA-HNNXBMFYSA-N -1 1 318.760 2.654 20 0 DFADMM C[C@H](NC(=O)c1c([O-])cccc1F)c1nc(C(C)(C)C)no1 ZINC000127214158 426056678 /nfs/dbraw/zinc/05/66/78/426056678.db2.gz HHFUOSCECRBZFZ-QMMMGPOBSA-N -1 1 307.325 2.703 20 0 DFADMM CC1(C)CC[C@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000162672046 426072399 /nfs/dbraw/zinc/07/23/99/426072399.db2.gz FVJZWKRYMXZCLT-QMMMGPOBSA-N -1 1 307.337 2.961 20 0 DFADMM O=S(=O)([N-]c1ccc2cc[nH]c2c1)c1ccc2c(c1)OCO2 ZINC000074842507 426057723 /nfs/dbraw/zinc/05/77/23/426057723.db2.gz DAIPICKKTCMQCJ-UHFFFAOYSA-N -1 1 316.338 2.697 20 0 DFADMM CC(C)(C)C[C@H]1CCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000127374886 426063362 /nfs/dbraw/zinc/06/33/62/426063362.db2.gz MDMNYCQOSHPJJE-GFCCVEGCSA-N -1 1 313.401 2.964 20 0 DFADMM COC(=O)c1cccc2nc(NC(=O)CCc3ccoc3)[nH]c21 ZINC000162522727 426067529 /nfs/dbraw/zinc/06/75/29/426067529.db2.gz LQBAWGUQIGDENK-UHFFFAOYSA-N -1 1 313.313 2.514 20 0 DFADMM Cc1cccc(F)c1[N-]S(=O)(=O)c1cccc2c1OCO2 ZINC000337744325 268540773 /nfs/dbraw/zinc/54/07/73/268540773.db2.gz CEPBRAXMMFNUQG-UHFFFAOYSA-N -1 1 309.318 2.664 20 0 DFADMM Cc1ocnc1C(=O)[N-]c1nnc(Cc2ccc(C)cc2)s1 ZINC000108249244 426013299 /nfs/dbraw/zinc/01/32/99/426013299.db2.gz JPSBNJJKKYQTKW-UHFFFAOYSA-N -1 1 314.370 2.986 20 0 DFADMM CC1(C)[C@@H]2CN(C(=O)c3ccc(Br)cc3[O-])C[C@@H]21 ZINC000076482361 426113014 /nfs/dbraw/zinc/11/30/14/426113014.db2.gz JVQOIHLEPKBIDN-PHIMTYICSA-N -1 1 310.191 2.883 20 0 DFADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)c(C(N)=O)c1 ZINC000112334435 426073363 /nfs/dbraw/zinc/07/33/63/426073363.db2.gz AKTFCQLYRAOYSI-UHFFFAOYSA-N -1 1 324.789 2.548 20 0 DFADMM COc1ccc(Cl)cc1CN(C)C(=O)c1ncccc1[O-] ZINC000171237467 426178174 /nfs/dbraw/zinc/17/81/74/426178174.db2.gz VWWNXUOSBDOUNY-UHFFFAOYSA-N -1 1 306.749 2.721 20 0 DFADMM COC(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000171459639 426190440 /nfs/dbraw/zinc/19/04/40/426190440.db2.gz XFFNSUMMHDYHQR-AWEZNQCLSA-N -1 1 313.353 2.571 20 0 DFADMM Cc1c(C[S@](C)=O)cccc1[N-]S(=O)(=O)c1ccccc1 ZINC000116712144 426195209 /nfs/dbraw/zinc/19/52/09/426195209.db2.gz MJBHTEKUCJGQBL-HXUWFJFHSA-N -1 1 323.439 2.674 20 0 DFADMM O=S(=O)([N-][C@H](c1ccccc1)C(F)(F)F)c1cccnc1 ZINC000079908987 426206533 /nfs/dbraw/zinc/20/65/33/426206533.db2.gz OPERHGINOYSMCT-GFCCVEGCSA-N -1 1 316.304 2.664 20 0 DFADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc([S@](C)=O)c1 ZINC000117739373 426222314 /nfs/dbraw/zinc/22/23/14/426222314.db2.gz PAVRCTRNYCDPML-LJQANCHMSA-N -1 1 309.412 2.533 20 0 DFADMM C[C@@H]1Cc2ccccc2CN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000173217903 426236257 /nfs/dbraw/zinc/23/62/57/426236257.db2.gz KKARBRMDQRMYHO-GFCCVEGCSA-N -1 1 319.364 2.510 20 0 DFADMM Cc1nc(C[N-]S(=O)(=O)c2cc(F)ccc2F)sc1C ZINC000173226435 426236281 /nfs/dbraw/zinc/23/62/81/426236281.db2.gz FWQAYQDWRIKVFU-UHFFFAOYSA-N -1 1 318.370 2.517 20 0 DFADMM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000173279677 426238315 /nfs/dbraw/zinc/23/83/15/426238315.db2.gz ZYFKXBSXRNFYPZ-SWLSCSKDSA-N -1 1 313.401 2.964 20 0 DFADMM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc(Cl)ccc1[O-] ZINC000173451186 426240376 /nfs/dbraw/zinc/24/03/76/426240376.db2.gz KPPCWNUQJNQEIR-VIFPVBQESA-N -1 1 321.808 2.757 20 0 DFADMM CCC[C@H](NC(=O)c1ccc(SC(C)C)cc1)c1nn[n-]n1 ZINC000136716043 426244798 /nfs/dbraw/zinc/24/47/98/426244798.db2.gz OHYCLEPQOIAPFA-ZDUSSCGKSA-N -1 1 319.434 2.971 20 0 DFADMM CCc1cnc(NC(=O)NCc2n[n-]c(=S)n2C2CC2)s1 ZINC000085613850 426253211 /nfs/dbraw/zinc/25/32/11/426253211.db2.gz VHLHUHGZXUJSDT-UHFFFAOYSA-N -1 1 324.435 2.616 20 0 DFADMM CCc1nc(S(=O)(=O)Cc2c(Cl)cccc2Cl)n[n-]1 ZINC000086170692 426255986 /nfs/dbraw/zinc/25/59/86/426255986.db2.gz CDFILVNVQWPWBC-UHFFFAOYSA-N -1 1 320.201 2.648 20 0 DFADMM O=C(c1cc(F)ccc1[O-])N1CCN(c2cccs2)CC1 ZINC000137804468 426256816 /nfs/dbraw/zinc/25/68/16/426256816.db2.gz GYBWESGQESBRCW-UHFFFAOYSA-N -1 1 306.362 2.555 20 0 DFADMM CCO[C@H](C)c1nc(CN(C)C(=O)c2ncccc2[O-])cs1 ZINC000174549172 426259245 /nfs/dbraw/zinc/25/92/45/426259245.db2.gz VBOVIRMWQVKILZ-SNVBAGLBSA-N -1 1 321.402 2.613 20 0 DFADMM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000119212817 426270505 /nfs/dbraw/zinc/27/05/05/426270505.db2.gz PYBHPARBYRHWBP-ABAIWWIYSA-N -1 1 311.403 2.508 20 0 DFADMM Cc1cnc(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)o1 ZINC000080631875 426215745 /nfs/dbraw/zinc/21/57/45/426215745.db2.gz GGSDLCIDCQLHHN-UHFFFAOYSA-N -1 1 321.185 2.768 20 0 DFADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000175226348 426289113 /nfs/dbraw/zinc/28/91/13/426289113.db2.gz HKKCMKUVGZEIGD-IINYFYTJSA-N -1 1 322.290 2.666 20 0 DFADMM CCOC(=O)c1cnc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)[n-]1 ZINC000339391648 268804709 /nfs/dbraw/zinc/80/47/09/268804709.db2.gz JUGGJKNULZVNTG-NEPJUHHUSA-N -1 1 305.378 2.741 20 0 DFADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)n1 ZINC000339391648 268804711 /nfs/dbraw/zinc/80/47/11/268804711.db2.gz JUGGJKNULZVNTG-NEPJUHHUSA-N -1 1 305.378 2.741 20 0 DFADMM COC[C@H]([N-]S(=O)(=O)c1cc(C)sc1C)c1ccco1 ZINC000175358370 426299234 /nfs/dbraw/zinc/29/92/34/426299234.db2.gz UZZZDWIYHUFVDD-NSHDSACASA-N -1 1 315.416 2.624 20 0 DFADMM Cc1ccc([C@H](C)CNC(=O)c2nc3ccccc3c(=O)[n-]2)cc1 ZINC000121094497 426321205 /nfs/dbraw/zinc/32/12/05/426321205.db2.gz SGRSWAAPBSUNIW-CYBMUJFWSA-N -1 1 321.380 2.765 20 0 DFADMM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000175837792 426332683 /nfs/dbraw/zinc/33/26/83/426332683.db2.gz BCWYIGPUUFIJCU-JZXOWHBKSA-N -1 1 301.386 2.855 20 0 DFADMM CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@@H](c3nc(C)cs3)C2)n1 ZINC000119428941 426287827 /nfs/dbraw/zinc/28/78/27/426287827.db2.gz GENOOEWVUJYUBT-GFCCVEGCSA-N -1 1 318.446 2.889 20 0 DFADMM CC(C)Oc1cccc(CN(C)C(=O)c2ncccc2[O-])c1 ZINC000152382720 426341623 /nfs/dbraw/zinc/34/16/23/426341623.db2.gz JUOFKDLXOAYRBG-UHFFFAOYSA-N -1 1 300.358 2.847 20 0 DFADMM O=C(N[C@H]1CCCOc2ccc(F)cc21)c1cncc([O-])c1 ZINC000339816604 268895583 /nfs/dbraw/zinc/89/55/83/268895583.db2.gz WSSHSVLWTZVRKR-AWEZNQCLSA-N -1 1 302.305 2.570 20 0 DFADMM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc2ccccc2c1[O-] ZINC000121521919 426348824 /nfs/dbraw/zinc/34/88/24/426348824.db2.gz BKHSGVOWQVDAJN-NWDGAFQWSA-N -1 1 314.385 2.578 20 0 DFADMM O=C(N[C@@H](CO)Cc1ccccc1)c1cc2ccccc2cc1[O-] ZINC000093244245 426354556 /nfs/dbraw/zinc/35/45/56/426354556.db2.gz HKVGPCVHTRWULH-QGZVFWFLSA-N -1 1 321.376 2.879 20 0 DFADMM O=C(Nc1cc(Br)ccc1O)c1cncc([O-])c1 ZINC000176188985 426358869 /nfs/dbraw/zinc/35/88/69/426358869.db2.gz LBUYXDOQRNAZNA-UHFFFAOYSA-N -1 1 309.119 2.508 20 0 DFADMM O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1cc(F)ccc1[O-] ZINC000093912964 426359640 /nfs/dbraw/zinc/35/96/40/426359640.db2.gz AARKYUDNKQIZRI-UHFFFAOYSA-N -1 1 314.316 2.676 20 0 DFADMM Cc1ccc2c([O-])c(C(=O)N3CCSC(C)(C)C3)cnc2n1 ZINC000176450045 426382926 /nfs/dbraw/zinc/38/29/26/426382926.db2.gz KXUYBFNJTYHDEF-UHFFFAOYSA-N -1 1 317.414 2.611 20 0 DFADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCSC(C)(C)C1)c2=O ZINC000176450045 426382929 /nfs/dbraw/zinc/38/29/29/426382929.db2.gz KXUYBFNJTYHDEF-UHFFFAOYSA-N -1 1 317.414 2.611 20 0 DFADMM CCC[C@H](NC(=O)C(C)=Cc1cccc(Cl)c1)c1nn[n-]n1 ZINC000122722029 426390520 /nfs/dbraw/zinc/39/05/20/426390520.db2.gz DCDREWCFLICRAJ-FROQITRMSA-N -1 1 319.796 2.914 20 0 DFADMM CCCCCc1nnc([N-]C(=O)c2ncncc2Cl)s1 ZINC000176536317 426391951 /nfs/dbraw/zinc/39/19/51/426391951.db2.gz NNRPJZWSFUAJQG-UHFFFAOYSA-N -1 1 311.798 2.967 20 0 DFADMM CN(C)c1cccc([C@H]2CCCN2C(=O)c2ncccc2[O-])c1 ZINC000153846771 426410806 /nfs/dbraw/zinc/41/08/06/426410806.db2.gz AHDAJYDOSWOBLO-OAHLLOKOSA-N -1 1 311.385 2.831 20 0 DFADMM COc1cc(C(=O)NC[C@H]2CCCS2)cc(Cl)c1[O-] ZINC000153976589 426415860 /nfs/dbraw/zinc/41/58/60/426415860.db2.gz GYCMXNVVTBCDRT-SECBINFHSA-N -1 1 301.795 2.680 20 0 DFADMM COc1cc(C(=O)N[C@@H](CO)CC(C)(C)C)cc(Cl)c1[O-] ZINC000154014964 426418102 /nfs/dbraw/zinc/41/81/02/426418102.db2.gz RCIZONKKISHEDY-SNVBAGLBSA-N -1 1 315.797 2.581 20 0 DFADMM O=C(NCCOc1ccc(F)cc1F)c1c([O-])cccc1F ZINC000123463174 426436285 /nfs/dbraw/zinc/43/62/85/426436285.db2.gz FFAJLROPQPVWGS-UHFFFAOYSA-N -1 1 311.259 2.618 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC[C@H](CC(C)C)C1 ZINC000177098660 426444411 /nfs/dbraw/zinc/44/44/11/426444411.db2.gz LZBBMHZEHUWYHA-GFCCVEGCSA-N -1 1 323.462 2.699 20 0 DFADMM Cc1nc(SCC(=O)c2ccncc2Cl)[n-]c(=O)c1C ZINC000340706622 269002416 /nfs/dbraw/zinc/00/24/16/269002416.db2.gz IRNZSCMWJLATBH-UHFFFAOYSA-N -1 1 309.778 2.822 20 0 DFADMM COCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)CCC1 ZINC000341067797 269037830 /nfs/dbraw/zinc/03/78/30/269037830.db2.gz RKORYLPVSMSNMC-UHFFFAOYSA-N -1 1 321.801 2.574 20 0 DFADMM Cc1noc([C@H]2CCCN(C(=O)c3ccc(Cl)cc3[O-])C2)n1 ZINC000097128749 426451693 /nfs/dbraw/zinc/45/16/93/426451693.db2.gz MDGSCXIEZFRCOM-JTQLQIEISA-N -1 1 321.764 2.757 20 0 DFADMM O=C(N[C@H](Cc1ccccc1)c1ccccc1F)c1cnn[nH]1 ZINC000154999138 426462347 /nfs/dbraw/zinc/46/23/47/426462347.db2.gz GFMQDUCHXDIPDN-OAHLLOKOSA-N -1 1 310.332 2.658 20 0 DFADMM CC(C)[C@H](CC(=O)N(C)C[C@H](C)c1nn[n-]n1)c1ccccc1 ZINC000124400245 426483201 /nfs/dbraw/zinc/48/32/01/426483201.db2.gz HQYPPDGQRXRTMY-ZFWWWQNUSA-N -1 1 315.421 2.592 20 0 DFADMM O=S(=O)(Cc1ccccc1OC(F)F)c1ccc([O-])cc1 ZINC000195208619 426507313 /nfs/dbraw/zinc/50/73/13/426507313.db2.gz JLDIUQSWOZYOCR-UHFFFAOYSA-N -1 1 314.309 2.968 20 0 DFADMM CCOc1cc(C(=O)N2C[C@H](C)OC[C@@H]2C)cc(Cl)c1[O-] ZINC000186577862 426554918 /nfs/dbraw/zinc/55/49/18/426554918.db2.gz YWIWNUNNUZSKSI-UWVGGRQHSA-N -1 1 313.781 2.694 20 0 DFADMM CCOc1ccc(NC(=O)c2cncc([O-])c2)c2ncccc12 ZINC000186453641 426531521 /nfs/dbraw/zinc/53/15/21/426531521.db2.gz QWSOOAAFDXTCNZ-UHFFFAOYSA-N -1 1 309.325 2.986 20 0 DFADMM CCC1(CC)CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000186485571 426537547 /nfs/dbraw/zinc/53/75/47/426537547.db2.gz CTPIFNNVQVJHMV-UHFFFAOYSA-N -1 1 313.401 2.966 20 0 DFADMM O=S(=O)(C[C@H]1CCCCO1)[N-]c1cccc2ccc(O)cc21 ZINC000272355051 426505559 /nfs/dbraw/zinc/50/55/59/426505559.db2.gz YNUWCHNMKBWSGG-CQSZACIVSA-N -1 1 321.398 2.856 20 0 DFADMM O=C(NCc1ccn2ccnc2c1)c1cc(Cl)ccc1[O-] ZINC000178095142 426569601 /nfs/dbraw/zinc/56/96/01/426569601.db2.gz GJBQXQDOBBYYBI-UHFFFAOYSA-N -1 1 301.733 2.623 20 0 DFADMM CC(=O)N[C@H](c1nc(-c2ccc([O-])cc2F)no1)C1CCCC1 ZINC000289106813 426583755 /nfs/dbraw/zinc/58/37/55/426583755.db2.gz PCUBWTFDUYMXPA-AWEZNQCLSA-N -1 1 319.336 2.949 20 0 DFADMM CCOc1cc(C(=O)NC[C@@H](CC)CCO)cc(Cl)c1[O-] ZINC000186860180 426600524 /nfs/dbraw/zinc/60/05/24/426600524.db2.gz SRPYLLFVZVBXSG-JTQLQIEISA-N -1 1 315.797 2.583 20 0 DFADMM Cc1cccc(F)c1S(=O)(=O)Nc1cccc(C(=O)[O-])c1 ZINC000186903585 426605413 /nfs/dbraw/zinc/60/54/13/426605413.db2.gz UARLQUSVFOXNCR-UHFFFAOYSA-N -1 1 309.318 2.633 20 0 DFADMM CC[C@@H](CCO)NC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000186592194 426559245 /nfs/dbraw/zinc/55/92/45/426559245.db2.gz JIXPSCWZLHJJPS-QMMMGPOBSA-N -1 1 313.810 2.682 20 0 DFADMM CCOc1cc(C(=O)N[C@H](C)[C@@H]2CCCO2)cc(Cl)c1[O-] ZINC000186604184 426562910 /nfs/dbraw/zinc/56/29/10/426562910.db2.gz DNZJGIGDXLGKIG-SKDRFNHKSA-N -1 1 313.781 2.742 20 0 DFADMM CCc1cc2c(C[NH2+][C@@H](CO)C(C)(C)C)cc(=O)oc2cc1[O-] ZINC000265426278 426635284 /nfs/dbraw/zinc/63/52/84/426635284.db2.gz LEXBKOTXHQCOAX-INIZCTEOSA-N -1 1 319.401 2.558 20 0 DFADMM CCS[C@H]1CCCCN(C(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000280808638 426659594 /nfs/dbraw/zinc/65/95/94/426659594.db2.gz QJMKCUAQUKHCJN-AWEZNQCLSA-N -1 1 307.415 2.709 20 0 DFADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N2 ZINC000187450783 426663804 /nfs/dbraw/zinc/66/38/04/426663804.db2.gz BUCZQJWTTYRJQY-UHFFFAOYSA-N -1 1 316.382 2.544 20 0 DFADMM CCc1cccc(OCCSc2nc(C(=O)OC)c[n-]2)c1 ZINC000187588407 426674712 /nfs/dbraw/zinc/67/47/12/426674712.db2.gz GXSFWHJJXROEGW-UHFFFAOYSA-N -1 1 306.387 2.930 20 0 DFADMM Cc1ccc(-c2cc(C(=O)N(CC(=O)[O-])CC(C)C)n[nH]2)cc1 ZINC000236687952 426675452 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/nfs/dbraw/zinc/32/63/51/318326351.db2.gz RJAGNDPDUGNODZ-UHFFFAOYSA-N -1 1 301.346 2.503 20 0 DFADMM Cc1cccc([C@H]2CCCN2C(=O)C(=O)c2ccc([O-])cc2)n1 ZINC000579757774 318352401 /nfs/dbraw/zinc/35/24/01/318352401.db2.gz VTCDQZOOHPAMMX-MRXNPFEDSA-N -1 1 310.353 2.642 20 0 DFADMM CC1(C)CN(C(=O)c2c(F)ccc([O-])c2F)[C@@H]1[C@@H]1CCCO1 ZINC000580195850 318382242 /nfs/dbraw/zinc/38/22/42/318382242.db2.gz MYRJLBWCGFCOLL-SMDDNHRTSA-N -1 1 311.328 2.700 20 0 DFADMM Cc1cc(Cl)ccc1NC(=O)CN1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000397008336 323354055 /nfs/dbraw/zinc/35/40/55/323354055.db2.gz BGSVTLDEPOMCIC-VXGBXAGGSA-N -1 1 324.808 2.772 20 0 DFADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1csc(-c2ccccn2)n1 ZINC000397034179 323354067 /nfs/dbraw/zinc/35/40/67/323354067.db2.gz MRYHDPAZSFNAPI-VXGBXAGGSA-N -1 1 317.414 2.890 20 0 DFADMM Cc1ccc(NC(=O)CN2C[C@H](C(=O)[O-])CC[C@H]2C)cc1Cl ZINC000397019364 323354483 /nfs/dbraw/zinc/35/44/83/323354483.db2.gz GLTDLAWEJORTQZ-VXGBXAGGSA-N -1 1 324.808 2.772 20 0 DFADMM Cc1cc(C)c(NC(=O)CN2C[C@H](C(=O)[O-])CC[C@H]2C)c(C)c1 ZINC000397510612 323355216 /nfs/dbraw/zinc/35/52/16/323355216.db2.gz XHTDPLJTBWAXOP-HUUCEWRRSA-N -1 1 318.417 2.735 20 0 DFADMM C[C@@H]1C[C@@H](CCNc2nc3[nH][n-]cc-3c(=O)n2)CC(C)(C)C1 ZINC000580396459 323377972 /nfs/dbraw/zinc/37/79/72/323377972.db2.gz GDFDCIJWMIRIFS-GHMZBOCLSA-N -1 1 303.410 2.696 20 0 DFADMM Cc1c(=O)[n-]c(SC[C@@H]2COCCO2)nc1-c1ccccc1 ZINC000580522744 323396389 /nfs/dbraw/zinc/39/63/89/323396389.db2.gz UXVXJPGTKMENJX-ZDUSSCGKSA-N -1 1 318.398 2.665 20 0 DFADMM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2cscn2)c(F)c1 ZINC000580571040 323406878 /nfs/dbraw/zinc/40/68/78/323406878.db2.gz VMBROGHTZNEJFJ-MRVPVSSYSA-N -1 1 318.370 2.769 20 0 DFADMM COc1ccc(NC(=O)c2ccc(O)cc2[O-])c2ncccc12 ZINC000581463265 323525041 /nfs/dbraw/zinc/52/50/41/323525041.db2.gz AUZIYPGWVYPREA-UHFFFAOYSA-N -1 1 310.309 2.907 20 0 DFADMM COCC1(C(=O)[O-])CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000581613522 323550359 /nfs/dbraw/zinc/55/03/59/323550359.db2.gz 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525271279 /nfs/dbraw/zinc/27/12/79/525271279.db2.gz PWKURRGTVJPQLC-NSHDSACASA-N -1 1 309.325 2.933 20 0 DFADMM O=S(=O)([N-]CCCCF)c1ccc(Br)s1 ZINC000309116660 534867340 /nfs/dbraw/zinc/86/73/40/534867340.db2.gz LVJDRXOEEZBSRJ-UHFFFAOYSA-N -1 1 316.217 2.539 20 0 DFADMM O=C(OCC1CC1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000365161382 526417225 /nfs/dbraw/zinc/41/72/25/526417225.db2.gz VCEHEDNCTYCLNM-UHFFFAOYSA-N -1 1 303.358 2.834 20 0 DFADMM O=C(c1ccc(Cl)cc1[O-])N1CCC(n2cccn2)CC1 ZINC000365081440 526679068 /nfs/dbraw/zinc/67/90/68/526679068.db2.gz DNZHTUQUOWXNPW-UHFFFAOYSA-N -1 1 305.765 2.719 20 0 DFADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc(Cn2cccn2)on1 ZINC000368639195 527236337 /nfs/dbraw/zinc/23/63/37/527236337.db2.gz SPIQRPPVXIPUCV-UHFFFAOYSA-N -1 1 318.720 2.531 20 0 DFADMM CC(C)C1CCN(C(=O)c2ccc3n[n-]c(=S)n3c2)CC1 ZINC000294832868 527650936 /nfs/dbraw/zinc/65/09/36/527650936.db2.gz FENATKNAMYMYHV-UHFFFAOYSA-N -1 1 304.419 2.526 20 0 DFADMM CC(C)CCCC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000294904819 527702207 /nfs/dbraw/zinc/70/22/07/527702207.db2.gz HQLTUCMFOLJWJK-UHFFFAOYSA-N -1 1 316.398 2.962 20 0 DFADMM CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)c1c([O-])cccc1F ZINC000331760643 528333130 /nfs/dbraw/zinc/33/31/30/528333130.db2.gz BNCLQVQIBRIDMI-LLVKDONJSA-N -1 1 318.352 2.511 20 0 DFADMM CCC(CC)(CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)OC ZINC000294683627 528687011 /nfs/dbraw/zinc/68/70/11/528687011.db2.gz PPHNFANJXBFNLT-UHFFFAOYSA-N -1 1 323.437 2.723 20 0 DFADMM CC1(C)CCCC[C@@H]1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000332479519 528913016 /nfs/dbraw/zinc/91/30/16/528913016.db2.gz XUEWQUWLHHVACI-GFCCVEGCSA-N -1 1 307.394 2.698 20 0 DFADMM CC(C)[C@H]1CCC[C@@H](NC(=O)/N=c2/ccnc3n(C)[n-]cc2-3)C1 ZINC000287805130 535182769 /nfs/dbraw/zinc/18/27/69/535182769.db2.gz YBEZQWHENIGSAQ-CQABLMBNSA-N -1 1 315.421 2.678 20 0 DFADMM COC(=O)c1c[n-]c(SCCOc2cc(C)ccc2C)n1 ZINC000187582452 536863344 /nfs/dbraw/zinc/86/33/44/536863344.db2.gz JCMURJFJEXIAAW-UHFFFAOYSA-N -1 1 306.387 2.984 20 0 DFADMM Cc1csc([C@H](NC(=O)c2ncc(C)cc2[O-])C2CC2)n1 ZINC000680845766 545551495 /nfs/dbraw/zinc/55/14/95/545551495.db2.gz FIGSTGLTFDGGMX-GFCCVEGCSA-N -1 1 303.387 2.742 20 0 DFADMM CCO[C@H]1C[C@H](N(C)C(=O)c2ncc(C)cc2[O-])C12CCCC2 ZINC000680846758 545551618 /nfs/dbraw/zinc/55/16/18/545551618.db2.gz VYLXYWZQDAKQFS-GJZGRUSLSA-N -1 1 318.417 2.905 20 0 DFADMM COc1ccc(OC)c(CCNC(=O)c2ccc([O-])c(F)c2)c1 ZINC000681021542 545583593 /nfs/dbraw/zinc/58/35/93/545583593.db2.gz WHOOVBRLUQQCRC-UHFFFAOYSA-N -1 1 319.332 2.521 20 0 DFADMM O=C(N[C@@H](CCCO)c1ccccc1)c1ccc([O-])c(F)c1 ZINC000681056365 545590417 /nfs/dbraw/zinc/59/04/17/545590417.db2.gz HUYYQZWBGOMGAV-HNNXBMFYSA-N -1 1 303.333 2.775 20 0 DFADMM O=C(NCc1ccc(OCC2CC2)nc1)c1ccc([O-])c(F)c1 ZINC000681038013 545586694 /nfs/dbraw/zinc/58/66/94/545586694.db2.gz TXEBJQLDODTISB-UHFFFAOYSA-N -1 1 316.332 2.645 20 0 DFADMM O=C(NCCc1nc2c(s1)CCCC2)c1ccc([O-])c(F)c1 ZINC000681038462 545586728 /nfs/dbraw/zinc/58/67/28/545586728.db2.gz KPIIWKZHLROFHQ-UHFFFAOYSA-N 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XRMSWHXLHBYPHU-UHFFFAOYSA-N -1 1 314.385 2.693 20 0 DFADMM CC(C)[C@H](CNC(=O)c1ccc(Cl)cc1[O-])c1ccnn1C ZINC000682674948 545895212 /nfs/dbraw/zinc/89/52/12/545895212.db2.gz HWWNOGSSZZQDOQ-ZDUSSCGKSA-N -1 1 321.808 2.949 20 0 DFADMM COC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000682814486 545920526 /nfs/dbraw/zinc/92/05/26/545920526.db2.gz QRZSGXZSPMLWFH-HNNXBMFYSA-N -1 1 317.360 2.861 20 0 DFADMM CCOCc1nnc([N-]Cc2nc3ccc(F)cc3s2)o1 ZINC000683345738 546015806 /nfs/dbraw/zinc/01/58/06/546015806.db2.gz KSPCGJNPJKVYSG-UHFFFAOYSA-N -1 1 308.338 2.967 20 0 DFADMM CCCc1cc([N-]S(=O)(=O)c2c(C)cc(C)cc2OC)n[nH]1 ZINC000683708047 546080144 /nfs/dbraw/zinc/08/01/44/546080144.db2.gz MDLGEJJNSTVWSA-UHFFFAOYSA-N -1 1 323.418 2.788 20 0 DFADMM CC(C)OCCCNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684870274 546295758 /nfs/dbraw/zinc/29/57/58/546295758.db2.gz WUZJQESRVWRWAL-UHFFFAOYSA-N -1 1 305.296 2.956 20 0 DFADMM CC(C)(C)C[C@@H](O)CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684876736 546296207 /nfs/dbraw/zinc/29/62/07/546296207.db2.gz XFLKUJDCGIMFBP-SNVBAGLBSA-N -1 1 319.323 2.938 20 0 DFADMM COCc1cncc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000685366095 546343157 /nfs/dbraw/zinc/34/31/57/546343157.db2.gz NGNBMBCBKWPFFV-UHFFFAOYSA-N -1 1 301.277 2.790 20 0 DFADMM Fc1cccc(C2(CNc3cccc(-c4nnn[n-]4)n3)CC2)c1 ZINC000737668526 598855975 /nfs/dbraw/zinc/85/59/75/598855975.db2.gz VVPIRBGYAWNMLR-UHFFFAOYSA-N -1 1 310.336 2.545 20 0 DFADMM Fc1cccc(C2(CNc3cccc(-c4nn[n-]n4)n3)CC2)c1 ZINC000737668526 598855976 /nfs/dbraw/zinc/85/59/76/598855976.db2.gz VVPIRBGYAWNMLR-UHFFFAOYSA-N -1 1 310.336 2.545 20 0 DFADMM CCCC[C@@H](CCC)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736438944 599138599 /nfs/dbraw/zinc/13/85/99/599138599.db2.gz PRPGENXLWJYPLH-GFCCVEGCSA-N -1 1 303.366 2.777 20 0 DFADMM CCCC[C@@H](CCC)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736438944 599138601 /nfs/dbraw/zinc/13/86/01/599138601.db2.gz PRPGENXLWJYPLH-GFCCVEGCSA-N -1 1 303.366 2.777 20 0 DFADMM C[C@@H](COC(=O)c1sccc1-c1nn[n-]n1)c1ccccc1 ZINC000736036510 599215992 /nfs/dbraw/zinc/21/59/92/599215992.db2.gz BWFFLLHSTOMBCH-JTQLQIEISA-N -1 1 314.370 2.889 20 0 DFADMM CC[C@@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000736403918 599230690 /nfs/dbraw/zinc/23/06/90/599230690.db2.gz ZEQBTYXMSWOUEC-MRVPVSSYSA-N -1 1 312.830 2.993 20 0 DFADMM CC[C@@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000736403918 599230691 /nfs/dbraw/zinc/23/06/91/599230691.db2.gz ZEQBTYXMSWOUEC-MRVPVSSYSA-N -1 1 312.830 2.993 20 0 DFADMM Cc1ccc(-c2nnc(CN3CCC[C@H](CC(=O)[O-])C3)o2)cc1 ZINC000320453088 597077912 /nfs/dbraw/zinc/07/79/12/597077912.db2.gz JZXJDJMGQBESAU-CYBMUJFWSA-N -1 1 315.373 2.732 20 0 DFADMM O=C([O-])C[C@H]1CCCN(Cc2nnc(-c3cccc(F)c3)o2)C1 ZINC000819380176 597084380 /nfs/dbraw/zinc/08/43/80/597084380.db2.gz JMSFOAMBLKZLBV-LLVKDONJSA-N -1 1 319.336 2.562 20 0 DFADMM O=C([O-])c1ccc(CNCc2ccc(Br)cn2)cc1 ZINC000819683811 597137690 /nfs/dbraw/zinc/13/76/90/597137690.db2.gz USNKDROXVGATQO-UHFFFAOYSA-N -1 1 321.174 2.832 20 0 DFADMM O=C([O-])[C@@H]1CCN(Cc2coc(-c3c(F)cccc3F)n2)C1 ZINC000821510687 597375539 /nfs/dbraw/zinc/37/55/39/597375539.db2.gz IYNMLFVGAWUZIX-SECBINFHSA-N -1 1 308.284 2.526 20 0 DFADMM c1cnn(-c2cccc(NCc3ccc(-c4nn[n-]n4)s3)c2)c1 ZINC000823757036 607312037 /nfs/dbraw/zinc/31/20/37/607312037.db2.gz JUYFEKMFXURMTO-UHFFFAOYSA-N -1 1 323.385 2.726 20 0 DFADMM CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N1CC[C@H](C(=O)[O-])C1 ZINC000818136114 597524867 /nfs/dbraw/zinc/52/48/67/597524867.db2.gz JTIJTKSOFQUYDZ-MJBXVCDLSA-N -1 1 318.417 2.934 20 0 DFADMM O=C([O-])CCCCN1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000821516268 597812692 /nfs/dbraw/zinc/81/26/92/597812692.db2.gz NFNHBOXEBGFKCA-UHFFFAOYSA-N -1 1 317.364 2.624 20 0 DFADMM Cc1csc([C@H](Nc2cccc(-c3nnn[n-]3)n2)C2CC2)n1 ZINC000822409306 607327513 /nfs/dbraw/zinc/32/75/13/607327513.db2.gz PMXQCBWFQYJXGZ-GFCCVEGCSA-N -1 1 313.390 2.590 20 0 DFADMM Cc1csc([C@H](Nc2cccc(-c3nn[n-]n3)n2)C2CC2)n1 ZINC000822409306 607327514 /nfs/dbraw/zinc/32/75/14/607327514.db2.gz PMXQCBWFQYJXGZ-GFCCVEGCSA-N -1 1 313.390 2.590 20 0 DFADMM CC(C)n1ncc2cc(CN3CC[C@@H](C(=O)[O-])C3)c(Cl)nc21 ZINC000820066855 598129439 /nfs/dbraw/zinc/12/94/39/598129439.db2.gz LGMDGSIXWIWTHY-SNVBAGLBSA-N -1 1 322.796 2.572 20 0 DFADMM Clc1ccc(Oc2nccnc2-c2nn[n-]n2)cc1Cl ZINC000737572779 598336490 /nfs/dbraw/zinc/33/64/90/598336490.db2.gz FAJLTAPJBDPCTQ-UHFFFAOYSA-N -1 1 309.116 2.756 20 0 DFADMM Cc1c2ccccc2oc1[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC000737209080 598345704 /nfs/dbraw/zinc/34/57/04/598345704.db2.gz JNKBPKYFBNYGTI-SNVBAGLBSA-N -1 1 321.344 2.884 20 0 DFADMM Cc1c2ccccc2oc1[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC000737209080 598345705 /nfs/dbraw/zinc/34/57/05/598345705.db2.gz JNKBPKYFBNYGTI-SNVBAGLBSA-N -1 1 321.344 2.884 20 0 DFADMM C[C@H](Sc1nccnc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000736194128 598349556 /nfs/dbraw/zinc/34/95/56/598349556.db2.gz ZSIZQIRXSFCBQZ-QMMMGPOBSA-N -1 1 302.338 2.649 20 0 DFADMM Clc1cccc(Cl)c1CNc1nccnc1-c1nnn[n-]1 ZINC000737573201 598349812 /nfs/dbraw/zinc/34/98/12/598349812.db2.gz AWECSVTYWOQDKP-UHFFFAOYSA-N -1 1 322.159 2.576 20 0 DFADMM Clc1cccc(Cl)c1CNc1nccnc1-c1nn[n-]n1 ZINC000737573201 598349814 /nfs/dbraw/zinc/34/98/14/598349814.db2.gz AWECSVTYWOQDKP-UHFFFAOYSA-N -1 1 322.159 2.576 20 0 DFADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)c1ccc2c(c1)CCCC2 ZINC000736136622 598385223 /nfs/dbraw/zinc/38/52/23/598385223.db2.gz IKBYJMMCJVXHGR-LLVKDONJSA-N -1 1 321.388 2.709 20 0 DFADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)c1ccc2c(c1)CCCC2 ZINC000736136622 598385224 /nfs/dbraw/zinc/38/52/24/598385224.db2.gz IKBYJMMCJVXHGR-LLVKDONJSA-N -1 1 321.388 2.709 20 0 DFADMM CN(Cc1cccc(F)c1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736828775 598570803 /nfs/dbraw/zinc/57/08/03/598570803.db2.gz RVKMLOKNHQISJQ-UHFFFAOYSA-N -1 1 318.743 2.691 20 0 DFADMM CN(Cc1cccc(F)c1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736828775 598570805 /nfs/dbraw/zinc/57/08/05/598570805.db2.gz RVKMLOKNHQISJQ-UHFFFAOYSA-N -1 1 318.743 2.691 20 0 DFADMM Cc1cccc(CCNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000737391429 598579400 /nfs/dbraw/zinc/57/94/00/598579400.db2.gz BDKNDBCZCWBNRG-UHFFFAOYSA-N -1 1 314.780 2.878 20 0 DFADMM Cc1cccc(CCNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000737391429 598579401 /nfs/dbraw/zinc/57/94/01/598579401.db2.gz BDKNDBCZCWBNRG-UHFFFAOYSA-N -1 1 314.780 2.878 20 0 DFADMM Clc1ccc(CNc2snc(Cl)c2-c2nnn[n-]2)o1 ZINC000737574549 598636498 /nfs/dbraw/zinc/63/64/98/598636498.db2.gz HDGVGZUTNHHKDX-UHFFFAOYSA-N -1 1 317.161 2.835 20 0 DFADMM Clc1ccc(CNc2snc(Cl)c2-c2nn[n-]n2)o1 ZINC000737574549 598636500 /nfs/dbraw/zinc/63/65/00/598636500.db2.gz HDGVGZUTNHHKDX-UHFFFAOYSA-N -1 1 317.161 2.835 20 0 DFADMM Clc1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)o1 ZINC000737577184 598636722 /nfs/dbraw/zinc/63/67/22/598636722.db2.gz UVERAOSSFJDJLM-UHFFFAOYSA-N -1 1 311.132 2.774 20 0 DFADMM Clc1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)o1 ZINC000737577184 598636723 /nfs/dbraw/zinc/63/67/23/598636723.db2.gz UVERAOSSFJDJLM-UHFFFAOYSA-N -1 1 311.132 2.774 20 0 DFADMM Cc1ccccc1[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1 ZINC000737424391 598774544 /nfs/dbraw/zinc/77/45/44/598774544.db2.gz YAVONZMFRSGAPO-CYBMUJFWSA-N -1 1 307.361 2.528 20 0 DFADMM Cc1ccccc1[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1 ZINC000737424391 598774546 /nfs/dbraw/zinc/77/45/46/598774546.db2.gz YAVONZMFRSGAPO-CYBMUJFWSA-N -1 1 307.361 2.528 20 0 DFADMM COc1ccc(C)cc1[C@@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000737073307 599397664 /nfs/dbraw/zinc/39/76/64/599397664.db2.gz BFDZYORWWQTMTO-LLVKDONJSA-N -1 1 310.361 2.752 20 0 DFADMM COc1ccc(C)cc1[C@@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000737073307 599397667 /nfs/dbraw/zinc/39/76/67/599397667.db2.gz BFDZYORWWQTMTO-LLVKDONJSA-N -1 1 310.361 2.752 20 0 DFADMM c1coc([C@@H](NCc2ccc(-c3nnn[n-]3)o2)c2ccccc2)c1 ZINC000823772330 599398080 /nfs/dbraw/zinc/39/80/80/599398080.db2.gz JQEXFWHHBYNJEK-INIZCTEOSA-N -1 1 321.340 2.932 20 0 DFADMM c1coc([C@@H](NCc2ccc(-c3nn[n-]n3)o2)c2ccccc2)c1 ZINC000823772330 599398083 /nfs/dbraw/zinc/39/80/83/599398083.db2.gz JQEXFWHHBYNJEK-INIZCTEOSA-N -1 1 321.340 2.932 20 0 DFADMM CCN(CCNc1cccc(-c2nnn[n-]2)n1)c1ccccc1C ZINC000736537860 599409419 /nfs/dbraw/zinc/40/94/19/599409419.db2.gz XMCKGJRMNDSBPF-UHFFFAOYSA-N -1 1 323.404 2.509 20 0 DFADMM CCN(CCNc1cccc(-c2nn[n-]n2)n1)c1ccccc1C ZINC000736537860 599409422 /nfs/dbraw/zinc/40/94/22/599409422.db2.gz XMCKGJRMNDSBPF-UHFFFAOYSA-N -1 1 323.404 2.509 20 0 DFADMM CC(C)c1ccc(OCCNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000735928632 599411545 /nfs/dbraw/zinc/41/15/45/599411545.db2.gz NKMOQHRXTBWMKL-UHFFFAOYSA-N -1 1 324.388 2.876 20 0 DFADMM CC(C)c1ccc(OCCNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000735928632 599411549 /nfs/dbraw/zinc/41/15/49/599411549.db2.gz NKMOQHRXTBWMKL-UHFFFAOYSA-N -1 1 324.388 2.876 20 0 DFADMM Cc1ccccc1[C@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000737422614 599425297 /nfs/dbraw/zinc/42/52/97/599425297.db2.gz NALHBURCTGNEPJ-ZDUSSCGKSA-N -1 1 306.373 2.564 20 0 DFADMM Cc1ccccc1[C@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000737422614 599425301 /nfs/dbraw/zinc/42/53/01/599425301.db2.gz NALHBURCTGNEPJ-ZDUSSCGKSA-N -1 1 306.373 2.564 20 0 DFADMM CC[C@](C)(NCc1ccc(-c2nnn[n-]2)o1)c1nc(C)cs1 ZINC000820853726 599447255 /nfs/dbraw/zinc/44/72/55/599447255.db2.gz OOFDYDYORVPHHB-AWEZNQCLSA-N -1 1 318.406 2.640 20 0 DFADMM Cc1ncsc1CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000822482345 599525881 /nfs/dbraw/zinc/52/58/81/599525881.db2.gz QJOLDYARKVAKGE-UHFFFAOYSA-N -1 1 323.385 2.792 20 0 DFADMM Cc1ncsc1CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000822482345 599525884 /nfs/dbraw/zinc/52/58/84/599525884.db2.gz QJOLDYARKVAKGE-UHFFFAOYSA-N -1 1 323.385 2.792 20 0 DFADMM CSc1ccc(F)cc1CNc1cccc(-c2nnn[n-]2)n1 ZINC000821983417 599686918 /nfs/dbraw/zinc/68/69/18/599686918.db2.gz HLGCXISBIOVSAI-UHFFFAOYSA-N -1 1 316.365 2.735 20 0 DFADMM CSc1ccc(F)cc1CNc1cccc(-c2nn[n-]n2)n1 ZINC000821983417 599686919 /nfs/dbraw/zinc/68/69/19/599686919.db2.gz HLGCXISBIOVSAI-UHFFFAOYSA-N -1 1 316.365 2.735 20 0 DFADMM CN(Cc1ccoc1C(=O)[O-])C[C@@H]1OCCc2ccccc21 ZINC000737494938 599719432 /nfs/dbraw/zinc/71/94/32/599719432.db2.gz GOMFEADROQYGJZ-HNNXBMFYSA-N -1 1 301.342 2.724 20 0 DFADMM CCCCc1nc2ccc(NC(=O)CCCNC(=O)[O-])cc2[nH]1 ZINC000737004887 599726421 /nfs/dbraw/zinc/72/64/21/599726421.db2.gz WVJBVUZDUNILOA-UHFFFAOYSA-N -1 1 318.377 2.892 20 0 DFADMM CCN1CCCC[C@H]1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000737117150 599771838 /nfs/dbraw/zinc/77/18/38/599771838.db2.gz XMKKFZGLPVAPED-HNNXBMFYSA-N -1 1 304.390 2.517 20 0 DFADMM CC[C@H]1CCCN1CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000736940844 599772913 /nfs/dbraw/zinc/77/29/13/599772913.db2.gz UWLIHCYYDCLJFA-JTQLQIEISA-N -1 1 322.430 2.748 20 0 DFADMM C[C@@H](c1nnc(-c2ccccc2)o1)N1CCC[C@@H](C(=O)[O-])C1 ZINC000736727123 600138210 /nfs/dbraw/zinc/13/82/10/600138210.db2.gz CXAPBNKFTFWVTN-WCQYABFASA-N -1 1 301.346 2.594 20 0 DFADMM Cc1cc2c[nH]nc2c(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000738320298 600194324 /nfs/dbraw/zinc/19/43/24/600194324.db2.gz QFERMCXUHPCBKG-INIZCTEOSA-N -1 1 323.352 2.769 20 0 DFADMM CC[C@@H]1CCCN(CC(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC000736941560 600319435 /nfs/dbraw/zinc/31/94/35/600319435.db2.gz WXFMLPKBTQITDS-CYBMUJFWSA-N -1 1 304.390 2.835 20 0 DFADMM CCOc1ncccc1CN[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737222229 600421409 /nfs/dbraw/zinc/42/14/09/600421409.db2.gz MCUMPZFHEYAXCA-CQSZACIVSA-N -1 1 304.321 2.535 20 0 DFADMM C[C@H](OC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC000736681965 600422790 /nfs/dbraw/zinc/42/27/90/600422790.db2.gz DPBKWYGQWHIDQY-NBEYISGCSA-N -1 1 308.721 2.541 20 0 DFADMM CC(C)N(CCC(=O)[O-])Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000736469047 600446182 /nfs/dbraw/zinc/44/61/82/600446182.db2.gz VRGUUXANXBACLG-UHFFFAOYSA-N -1 1 323.780 2.674 20 0 DFADMM O=C([O-])C1(NCC(=O)N2CCC[C@H]3CCCC[C@@H]32)CCCCC1 ZINC000739308706 600460456 /nfs/dbraw/zinc/46/04/56/600460456.db2.gz VMJZEMWYIJKJHE-CABCVRRESA-N -1 1 322.449 2.545 20 0 DFADMM C[C@H]1SCCN(Cn2ncc3cc(C(=O)[O-])ccc32)[C@@H]1C ZINC000736837283 600488697 /nfs/dbraw/zinc/48/86/97/600488697.db2.gz LZGHMWYJTVZLKO-GHMZBOCLSA-N -1 1 305.403 2.518 20 0 DFADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3ccccc3c2)c[nH]1 ZINC000097286886 600669898 /nfs/dbraw/zinc/66/98/98/600669898.db2.gz JHRNYDUBSJUIQH-UHFFFAOYSA-N -1 1 316.338 2.667 20 0 DFADMM C[C@@H]1CN(Cn2ncc3cc(C(=O)[O-])ccc32)C[C@H](C)S1 ZINC000828470371 600713713 /nfs/dbraw/zinc/71/37/13/600713713.db2.gz GCIYRUYYTRRJDU-PHIMTYICSA-N -1 1 305.403 2.518 20 0 DFADMM CC[C@@H]1CN(Cn2ncc3cc(C(=O)[O-])ccc32)CCS1 ZINC000829149033 600718309 /nfs/dbraw/zinc/71/83/09/600718309.db2.gz CWUNSQCBFIMCKJ-CYBMUJFWSA-N -1 1 305.403 2.519 20 0 DFADMM COc1ccc(-c2n[nH]c(SC/C=C(\C)C(=O)[O-])n2)cc1 ZINC000832134447 600726955 /nfs/dbraw/zinc/72/69/55/600726955.db2.gz SWVAGZPXMAPFFT-VQHVLOKHSA-N -1 1 305.359 2.603 20 0 DFADMM C/C(=C\CSc1nc(C=Cc2ccc(C)o2)n[nH]1)C(=O)[O-] ZINC000825792397 600727266 /nfs/dbraw/zinc/72/72/66/600727266.db2.gz DPJHVSHXYYOTKE-BZWSEGBZSA-N -1 1 305.359 3.000 20 0 DFADMM CC(C)[C@@H](C(=O)OCc1ccoc1C(=O)[O-])N1CCCCC1 ZINC000736349518 600735336 /nfs/dbraw/zinc/73/53/36/600735336.db2.gz NETOIISVOOVTTN-ZDUSSCGKSA-N -1 1 309.362 2.532 20 0 DFADMM Cc1sc(NC(=O)CN(C[C@H](C)C(=O)[O-])C2CC2)c(C)c1C ZINC000833033829 600823892 /nfs/dbraw/zinc/82/38/92/600823892.db2.gz IIBKHMSWVHNDAB-VIFPVBQESA-N -1 1 324.446 2.797 20 0 DFADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CC[C@@H](CC(C)C)C1 ZINC000832914457 600824452 /nfs/dbraw/zinc/82/44/52/600824452.db2.gz CMXDBLPIXCBTJM-AWEZNQCLSA-N -1 1 318.417 3.000 20 0 DFADMM Cc1nc2ccc(NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)cc2[nH]1 ZINC000320637436 600875886 /nfs/dbraw/zinc/87/58/86/600875886.db2.gz CYRMFRJBSFBQQA-QWRGUYRKSA-N -1 1 301.346 2.701 20 0 DFADMM O=C([O-])c1ccc(NC(=O)CN2CCC3(CCCC3)C2)cc1 ZINC000833104537 601039539 /nfs/dbraw/zinc/03/95/39/601039539.db2.gz CYYDHDWPAOEABG-UHFFFAOYSA-N -1 1 302.374 2.589 20 0 DFADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1C[C@H](C)CC[C@@H]1C ZINC000832915999 601052036 /nfs/dbraw/zinc/05/20/36/601052036.db2.gz MGAKWEAXUUXSSR-YPMHNXCESA-N -1 1 304.390 2.752 20 0 DFADMM Cc1oc(CN(C)C[C@H](O)c2ccc(F)cc2C)cc1C(=O)[O-] ZINC000832889627 601112714 /nfs/dbraw/zinc/11/27/14/601112714.db2.gz LHGNCGXNIZSTLX-INIZCTEOSA-N -1 1 321.348 2.899 20 0 DFADMM CC(C)COc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cn1 ZINC000820102678 607491845 /nfs/dbraw/zinc/49/18/45/607491845.db2.gz GTIVHJSYBUUBBF-UHFFFAOYSA-N -1 1 314.349 2.502 20 0 DFADMM CC(C)COc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cn1 ZINC000820102678 607491846 /nfs/dbraw/zinc/49/18/46/607491846.db2.gz GTIVHJSYBUUBBF-UHFFFAOYSA-N -1 1 314.349 2.502 20 0 DFADMM COCCC(C)(C)Nc1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC000831676687 601380896 /nfs/dbraw/zinc/38/08/96/601380896.db2.gz SQEFHIXSIPTLPJ-UHFFFAOYSA-N -1 1 323.418 2.655 20 0 DFADMM CCc1oc(C(=O)[O-])cc1CN(C)Cc1ccc(O)c(OC)c1 ZINC000830363883 601414865 /nfs/dbraw/zinc/41/48/65/601414865.db2.gz ZNABQTXECMKDLK-UHFFFAOYSA-N -1 1 319.357 2.886 20 0 DFADMM O=C([O-])[C@@]1(F)CCN(CCOc2ccc3ccccc3c2)C1 ZINC000833174292 601441513 /nfs/dbraw/zinc/44/15/13/601441513.db2.gz DHWBYXYQEKCTPJ-QGZVFWFLSA-N -1 1 303.333 2.717 20 0 DFADMM CCc1oc(C(=O)[O-])cc1COC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000830379033 601466511 /nfs/dbraw/zinc/46/65/11/601466511.db2.gz GZOCTAFMAJTTFG-UTUOFQBUSA-N -1 1 323.389 2.845 20 0 DFADMM CCc1oc(C(=O)[O-])cc1COC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000830379031 601466533 /nfs/dbraw/zinc/46/65/33/601466533.db2.gz GZOCTAFMAJTTFG-SRVKXCTJSA-N -1 1 323.389 2.845 20 0 DFADMM C[C@@H]1CN(Cc2nnc(-c3ccc(Cl)cc3)o2)C[C@@H]1C(=O)[O-] ZINC000314959966 601510725 /nfs/dbraw/zinc/51/07/25/601510725.db2.gz ADZAWGSXEMUQTN-SKDRFNHKSA-N -1 1 321.764 2.543 20 0 DFADMM C[C@@H]1CN(Cc2nnc(-c3cccc(Cl)c3)o2)C[C@H]1C(=O)[O-] ZINC000828463079 601514632 /nfs/dbraw/zinc/51/46/32/601514632.db2.gz OHSJNRDPNAAIDU-BXKDBHETSA-N -1 1 321.764 2.543 20 0 DFADMM CCC1(CC)CCN(CC(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC000829055354 601544007 /nfs/dbraw/zinc/54/40/07/601544007.db2.gz HHPIVMDRPNBHTD-UHFFFAOYSA-N -1 1 304.390 2.835 20 0 DFADMM CCCN(CCC)Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC000041619993 601574994 /nfs/dbraw/zinc/57/49/94/601574994.db2.gz JOTSGDCLRDJLDP-UHFFFAOYSA-N -1 1 323.418 2.613 20 0 DFADMM CCCCNC(=O)C1(NCc2ccc(C(=O)[O-])o2)CCCCC1 ZINC000829396942 601598629 /nfs/dbraw/zinc/59/86/29/601598629.db2.gz ZFAQQXPXHXOVDP-UHFFFAOYSA-N -1 1 322.405 2.687 20 0 DFADMM Cc1cc(C(=O)CN2CCCC[C@H]2CC(=O)[O-])c(C)n1C1CC1 ZINC000832859179 601599019 /nfs/dbraw/zinc/59/90/19/601599019.db2.gz PKPIWHAXORHXNH-HNNXBMFYSA-N -1 1 318.417 2.952 20 0 DFADMM Cc1sc(C(=O)[O-])cc1CN1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000833033110 601633490 /nfs/dbraw/zinc/63/34/90/601633490.db2.gz VKMFEXULFRCNGH-MWLCHTKSSA-N -1 1 323.336 2.642 20 0 DFADMM CC[C@@H](C(=O)OCc1ccc(C(=O)[O-])c(F)c1)N(CC)CC ZINC000828603158 601730538 /nfs/dbraw/zinc/73/05/38/601730538.db2.gz DHWMMMXDEBPMPQ-AWEZNQCLSA-N -1 1 311.353 2.688 20 0 DFADMM O=C([O-])c1sccc1CN1CCC[C@H](OCC(F)(F)F)C1 ZINC000833348198 601829605 /nfs/dbraw/zinc/82/96/05/601829605.db2.gz DBAZRBNLNNSTNY-JTQLQIEISA-N -1 1 323.336 2.990 20 0 DFADMM CCc1ccc([C@@H](C)NC(=O)CN[C@@H](C(=O)[O-])C(C)(C)C)cc1 ZINC000830239530 601875969 /nfs/dbraw/zinc/87/59/69/601875969.db2.gz YTAZGJVCWSIISL-WBMJQRKESA-N -1 1 320.433 2.515 20 0 DFADMM O=C([O-])c1ccc(NC(=O)Cc2n[nH]c3ccccc32)cc1F ZINC000767205398 601876360 /nfs/dbraw/zinc/87/63/60/601876360.db2.gz HMJDTGIEOXYMCG-UHFFFAOYSA-N -1 1 313.288 2.581 20 0 DFADMM CSc1ccccc1NC(=O)[C@H](C)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000832790625 601932952 /nfs/dbraw/zinc/93/29/52/601932952.db2.gz PCRSFMLANIPAAD-MEDUHNTESA-N -1 1 322.430 2.532 20 0 DFADMM CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2ccc(C(=O)[O-])s2)C1 ZINC000826130132 601951975 /nfs/dbraw/zinc/95/19/75/601951975.db2.gz GWANSEOFAAYWTL-LLVKDONJSA-N -1 1 324.446 2.573 20 0 DFADMM CCc1noc(C)c1CSCc1ccnc(-c2nnn[n-]2)c1 ZINC000825772103 607535466 /nfs/dbraw/zinc/53/54/66/607535466.db2.gz ZSYYDMFFOUXUAM-UHFFFAOYSA-N -1 1 316.390 2.554 20 0 DFADMM CCc1noc(C)c1CSCc1ccnc(-c2nn[n-]n2)c1 ZINC000825772103 607535468 /nfs/dbraw/zinc/53/54/68/607535468.db2.gz ZSYYDMFFOUXUAM-UHFFFAOYSA-N -1 1 316.390 2.554 20 0 DFADMM C[C@@H]1CC[C@H](C)N1CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000828214482 601971018 /nfs/dbraw/zinc/97/10/18/601971018.db2.gz OKKJJDCPNFYCFS-AOOOYVTPSA-N -1 1 322.430 2.746 20 0 DFADMM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CCC[C@@H](CO)C1 ZINC000833172663 602032568 /nfs/dbraw/zinc/03/25/68/602032568.db2.gz VWISHPFIEJLEEL-RNCFNFMXSA-N -1 1 318.200 2.823 20 0 DFADMM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CCC(CO)CC1 ZINC000833170777 602035498 /nfs/dbraw/zinc/03/54/98/602035498.db2.gz JZZNSASOIKBKEB-ZDUSSCGKSA-N -1 1 318.200 2.823 20 0 DFADMM O=C([O-])c1coc(CNC2(c3cccc(F)c3)CCOCC2)c1 ZINC000833338976 602051658 /nfs/dbraw/zinc/05/16/58/602051658.db2.gz AWATYBKZNMEBFH-UHFFFAOYSA-N -1 1 319.332 2.912 20 0 DFADMM FC(F)(F)c1cccc(NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826369071 607546224 /nfs/dbraw/zinc/54/62/24/607546224.db2.gz LLSDBCOYZGDFAI-UHFFFAOYSA-N -1 1 320.278 2.893 20 0 DFADMM FC(F)(F)c1cccc(NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826369071 607546225 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KPJDSCHZQKCUKY-UHFFFAOYSA-N -1 1 302.378 2.872 20 0 DFADMM O=C([O-])N[C@H]1C[C@H](N[C@H](CO)c2ccccc2)c2ccccc21 ZINC000834156498 605799143 /nfs/dbraw/zinc/79/91/43/605799143.db2.gz AWFSLAQEKGWDCO-YESZJQIVSA-N -1 1 312.369 2.763 20 0 DFADMM COC(=O)c1ccc(F)c(CN[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000820685347 605839412 /nfs/dbraw/zinc/83/94/12/605839412.db2.gz PNVWEWKUNFFDFC-HNNXBMFYSA-N -1 1 317.316 2.528 20 0 DFADMM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@H](OC(F)F)C1 ZINC000833678174 605857066 /nfs/dbraw/zinc/85/70/66/605857066.db2.gz KDHWVFRJGNXKJK-SNVBAGLBSA-N -1 1 303.305 2.744 20 0 DFADMM C[C@H]1C[C@H](CNC(=O)[O-])CN1Cc1ccc(F)cc1Cl ZINC000833833985 605909869 /nfs/dbraw/zinc/90/98/69/605909869.db2.gz LQSXMJZGSFYZDP-VHSXEESVSA-N -1 1 300.761 2.957 20 0 DFADMM O=C([O-])N[C@H]1CCN(Cc2cc(Cl)cc3cccnc32)C1 ZINC000740597343 605935508 /nfs/dbraw/zinc/93/55/08/605935508.db2.gz YHMONHPNRGJGTI-ZDUSSCGKSA-N -1 1 305.765 2.730 20 0 DFADMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2Cc1nc2ccccc2o1 ZINC000832239843 605939426 /nfs/dbraw/zinc/93/94/26/605939426.db2.gz QYISSPYGVOOSDT-YHWZYXNKSA-N -1 1 315.373 2.981 20 0 DFADMM O=C([O-])N1CC[C@@H](N[C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000834082571 605983410 /nfs/dbraw/zinc/98/34/10/605983410.db2.gz HAEHLCSMKCKCBH-HZPDHXFCSA-N -1 1 315.348 2.652 20 0 DFADMM O=C([O-])N1CC[C@@H](N[C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000834082562 605983549 /nfs/dbraw/zinc/98/35/49/605983549.db2.gz HAEHLCSMKCKCBH-CVEARBPZSA-N -1 1 315.348 2.652 20 0 DFADMM Cc1cc(S(=O)(=O)Nc2ccc(NC(=O)[O-])cc2)c(C)o1 ZINC000833902339 606013112 /nfs/dbraw/zinc/01/31/12/606013112.db2.gz YXRIMINRUALHRN-UHFFFAOYSA-N -1 1 310.331 2.787 20 0 DFADMM O=C([O-])NCC1CCN(Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000834223887 606016855 /nfs/dbraw/zinc/01/68/55/606016855.db2.gz GSEDIZUUNQELSO-UHFFFAOYSA-N -1 1 324.808 2.755 20 0 DFADMM O=C([O-])NC[C@H]1CCCN(Cc2cc(Cl)cc3c2OCC3)C1 ZINC000834221358 606019356 /nfs/dbraw/zinc/01/93/56/606019356.db2.gz ROMAXCBFXAGCLT-LLVKDONJSA-N -1 1 324.808 2.755 20 0 DFADMM C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000833832161 606024599 /nfs/dbraw/zinc/02/45/99/606024599.db2.gz VHCIPRPTUZVJJN-BZNIZROVSA-N -1 1 316.361 2.718 20 0 DFADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1F ZINC000820512998 606135184 /nfs/dbraw/zinc/13/51/84/606135184.db2.gz RTADAEBOGPVICS-MRVPVSSYSA-N -1 1 318.333 2.985 20 0 DFADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1F ZINC000820512998 606135186 /nfs/dbraw/zinc/13/51/86/606135186.db2.gz RTADAEBOGPVICS-MRVPVSSYSA-N -1 1 318.333 2.985 20 0 DFADMM Cc1nnc(Oc2cccc3c2CCCC3)c(-c2nnn[n-]2)c1C ZINC000822514100 606139888 /nfs/dbraw/zinc/13/98/88/606139888.db2.gz BTPGSDCMWQWFAV-UHFFFAOYSA-N -1 1 322.372 2.945 20 0 DFADMM Cc1nnc(Oc2cccc3c2CCCC3)c(-c2nn[n-]n2)c1C ZINC000822514100 606139890 /nfs/dbraw/zinc/13/98/90/606139890.db2.gz BTPGSDCMWQWFAV-UHFFFAOYSA-N -1 1 322.372 2.945 20 0 DFADMM CC(C)[C@@H](CNc1cccc(-c2nnn[n-]2)n1)c1cccnc1 ZINC000820021079 606229192 /nfs/dbraw/zinc/22/91/92/606229192.db2.gz PBJYAHKTVYTHAW-CYBMUJFWSA-N -1 1 309.377 2.508 20 0 DFADMM CC(C)[C@@H](CNc1cccc(-c2nn[n-]n2)n1)c1cccnc1 ZINC000820021079 606229193 /nfs/dbraw/zinc/22/91/93/606229193.db2.gz PBJYAHKTVYTHAW-CYBMUJFWSA-N -1 1 309.377 2.508 20 0 DFADMM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820698985 606295423 /nfs/dbraw/zinc/29/54/23/606295423.db2.gz XEXHTERDUHSOPJ-GHMZBOCLSA-N -1 1 315.377 2.727 20 0 DFADMM CCCCO[C@H]1C[C@H](Nc2cccc(-c3nnn[n-]3)n2)C1(C)C ZINC000821071514 606402743 /nfs/dbraw/zinc/40/27/43/606402743.db2.gz GZVYPZRJMRKKHQ-STQMWFEESA-N -1 1 316.409 2.657 20 0 DFADMM CCCCO[C@H]1C[C@H](Nc2cccc(-c3nn[n-]n3)n2)C1(C)C ZINC000821071514 606402745 /nfs/dbraw/zinc/40/27/45/606402745.db2.gz GZVYPZRJMRKKHQ-STQMWFEESA-N -1 1 316.409 2.657 20 0 DFADMM CCN(Cc1ccccc1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821230048 606438709 /nfs/dbraw/zinc/43/87/09/606438709.db2.gz ALVWCFFUYRNNMJ-UHFFFAOYSA-N -1 1 314.780 2.942 20 0 DFADMM CCN(Cc1ccccc1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821230048 606438711 /nfs/dbraw/zinc/43/87/11/606438711.db2.gz ALVWCFFUYRNNMJ-UHFFFAOYSA-N -1 1 314.780 2.942 20 0 DFADMM FC(F)(F)[C@H]1CCC[C@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC000822714098 606447503 /nfs/dbraw/zinc/44/75/03/606447503.db2.gz GJOUTODUHUQELI-IUCAKERBSA-N -1 1 312.299 2.795 20 0 DFADMM FC(F)(F)[C@H]1CCC[C@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC000822714098 606447505 /nfs/dbraw/zinc/44/75/05/606447505.db2.gz GJOUTODUHUQELI-IUCAKERBSA-N -1 1 312.299 2.795 20 0 DFADMM C[C@@H](c1ccccn1)N(C)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820569926 606461788 /nfs/dbraw/zinc/46/17/88/606461788.db2.gz AZLUOMLAELFMRH-VIFPVBQESA-N -1 1 315.768 2.508 20 0 DFADMM C[C@@H](c1ccccn1)N(C)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820569926 606461789 /nfs/dbraw/zinc/46/17/89/606461789.db2.gz AZLUOMLAELFMRH-VIFPVBQESA-N -1 1 315.768 2.508 20 0 DFADMM O=C(NCc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823249961 606486155 /nfs/dbraw/zinc/48/61/55/606486155.db2.gz NCLQEJOOURFUOM-UHFFFAOYSA-N -1 1 319.777 2.512 20 0 DFADMM O=C(NCc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823249961 606486156 /nfs/dbraw/zinc/48/61/56/606486156.db2.gz NCLQEJOOURFUOM-UHFFFAOYSA-N -1 1 319.777 2.512 20 0 DFADMM O=C(Nc1ccc2ncccc2c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823355500 606512374 /nfs/dbraw/zinc/51/23/74/606512374.db2.gz DKYJREDACCKCPZ-UHFFFAOYSA-N -1 1 322.353 2.729 20 0 DFADMM O=C(Nc1ccc2ncccc2c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823355500 606512376 /nfs/dbraw/zinc/51/23/76/606512376.db2.gz DKYJREDACCKCPZ-UHFFFAOYSA-N -1 1 322.353 2.729 20 0 DFADMM CC(C)N(C(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000820112228 606514114 /nfs/dbraw/zinc/51/41/14/606514114.db2.gz NPRYXTXBDYGOLZ-UHFFFAOYSA-N -1 1 313.386 2.983 20 0 DFADMM CC(C)N(C(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000820112228 606514115 /nfs/dbraw/zinc/51/41/15/606514115.db2.gz NPRYXTXBDYGOLZ-UHFFFAOYSA-N -1 1 313.386 2.983 20 0 DFADMM CCC1CCC(CNC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000820972886 606528777 /nfs/dbraw/zinc/52/87/77/606528777.db2.gz RLTJKHXBDRACRF-UHFFFAOYSA-N -1 1 319.434 2.874 20 0 DFADMM CCC1CCC(CNC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000820972886 606528779 /nfs/dbraw/zinc/52/87/79/606528779.db2.gz RLTJKHXBDRACRF-UHFFFAOYSA-N -1 1 319.434 2.874 20 0 DFADMM CC(C)(C)C[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819907965 606538794 /nfs/dbraw/zinc/53/87/94/606538794.db2.gz VBAFVLQQMBKPCC-JTQLQIEISA-N -1 1 319.434 2.969 20 0 DFADMM CC(C)(C)C[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819907965 606538796 /nfs/dbraw/zinc/53/87/96/606538796.db2.gz VBAFVLQQMBKPCC-JTQLQIEISA-N -1 1 319.434 2.969 20 0 DFADMM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820678796 606564402 /nfs/dbraw/zinc/56/44/02/606564402.db2.gz YNHPBBFEZAPBAV-GMTAPVOTSA-N -1 1 317.418 2.721 20 0 DFADMM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820678796 606564403 /nfs/dbraw/zinc/56/44/03/606564403.db2.gz YNHPBBFEZAPBAV-GMTAPVOTSA-N -1 1 317.418 2.721 20 0 DFADMM O=C(N[C@H]1C[C@H]1C1CCCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823144187 606573576 /nfs/dbraw/zinc/57/35/76/606573576.db2.gz CLDNYNOGKAFWGH-QWRGUYRKSA-N -1 1 317.418 2.627 20 0 DFADMM O=C(N[C@H]1C[C@H]1C1CCCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823144187 606573578 /nfs/dbraw/zinc/57/35/78/606573578.db2.gz CLDNYNOGKAFWGH-QWRGUYRKSA-N -1 1 317.418 2.627 20 0 DFADMM O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823144188 606573621 /nfs/dbraw/zinc/57/36/21/606573621.db2.gz CLDNYNOGKAFWGH-WDEREUQCSA-N -1 1 317.418 2.627 20 0 DFADMM O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823144188 606573623 /nfs/dbraw/zinc/57/36/23/606573623.db2.gz CLDNYNOGKAFWGH-WDEREUQCSA-N -1 1 317.418 2.627 20 0 DFADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cnc1Cl ZINC000822209590 606640436 /nfs/dbraw/zinc/64/04/36/606640436.db2.gz PADQVDALVIKFIR-UHFFFAOYSA-N -1 1 320.765 2.537 20 0 DFADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cnc1Cl ZINC000822209590 606640437 /nfs/dbraw/zinc/64/04/37/606640437.db2.gz PADQVDALVIKFIR-UHFFFAOYSA-N -1 1 320.765 2.537 20 0 DFADMM Cc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)s2)s1 ZINC000822238898 606686832 /nfs/dbraw/zinc/68/68/32/606686832.db2.gz YXVCTMKAHOISJT-UHFFFAOYSA-N -1 1 306.372 2.655 20 0 DFADMM Cc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)s2)s1 ZINC000822238898 606686833 /nfs/dbraw/zinc/68/68/33/606686833.db2.gz YXVCTMKAHOISJT-UHFFFAOYSA-N -1 1 306.372 2.655 20 0 DFADMM CCC1(CC)CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820956861 606691229 /nfs/dbraw/zinc/69/12/29/606691229.db2.gz KNOFLPVEDJXNMB-UHFFFAOYSA-N -1 1 305.407 2.581 20 0 DFADMM CCC1(CC)CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820956861 606691230 /nfs/dbraw/zinc/69/12/30/606691230.db2.gz KNOFLPVEDJXNMB-UHFFFAOYSA-N -1 1 305.407 2.581 20 0 DFADMM O=C(Nc1cc(F)cc(Cl)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823299408 606937181 /nfs/dbraw/zinc/93/71/81/606937181.db2.gz WBGPSZBBUKWHCJ-UHFFFAOYSA-N -1 1 323.740 2.973 20 0 DFADMM O=C(Nc1cc(F)cc(Cl)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823299408 606937182 /nfs/dbraw/zinc/93/71/82/606937182.db2.gz WBGPSZBBUKWHCJ-UHFFFAOYSA-N -1 1 323.740 2.973 20 0 DFADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N1CCC2(CCC2)C1 ZINC000823791283 606948655 /nfs/dbraw/zinc/94/86/55/606948655.db2.gz ANUFMSLBNWBFKA-UHFFFAOYSA-N -1 1 306.373 2.795 20 0 DFADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N1CCC2(CCC2)C1 ZINC000823791283 606948656 /nfs/dbraw/zinc/94/86/56/606948656.db2.gz ANUFMSLBNWBFKA-UHFFFAOYSA-N -1 1 306.373 2.795 20 0 DFADMM Cc1ccc2ccccc2c1Cn1cccc(-c2nn[n-]n2)c1=O ZINC000822280007 606980968 /nfs/dbraw/zinc/98/09/68/606980968.db2.gz HEAQSMJDUPGSPD-UHFFFAOYSA-N -1 1 317.352 2.538 20 0 DFADMM O=C(CSc1cccc(-c2nn[nH]n2)c1)c1ccc([O-])cc1 ZINC000823070812 607014457 /nfs/dbraw/zinc/01/44/57/607014457.db2.gz PFPKSRWWZHODFL-UHFFFAOYSA-N -1 1 312.354 2.547 20 0 DFADMM Fc1cccc(OC[C@@H]2CC2(Cl)Cl)c1-c1nnn[n-]1 ZINC000826378127 607864789 /nfs/dbraw/zinc/86/47/89/607864789.db2.gz WNJAEEJDVIQWCE-LURJTMIESA-N -1 1 303.124 2.578 20 0 DFADMM Fc1cccc(OC[C@@H]2CC2(Cl)Cl)c1-c1nn[n-]n1 ZINC000826378127 607864790 /nfs/dbraw/zinc/86/47/90/607864790.db2.gz WNJAEEJDVIQWCE-LURJTMIESA-N -1 1 303.124 2.578 20 0 DFADMM Fc1cccc(OCc2cccc(Cl)n2)c1-c1nnn[n-]1 ZINC000826377885 607865212 /nfs/dbraw/zinc/86/52/12/607865212.db2.gz KTPFNVKSVYERMD-UHFFFAOYSA-N -1 1 305.700 2.633 20 0 DFADMM Fc1cccc(OCc2cccc(Cl)n2)c1-c1nn[n-]n1 ZINC000826377885 607865213 /nfs/dbraw/zinc/86/52/13/607865213.db2.gz KTPFNVKSVYERMD-UHFFFAOYSA-N -1 1 305.700 2.633 20 0 DFADMM Fc1cccc(Oc2ncnc3sccc32)c1-c1nnn[n-]1 ZINC000826378207 607867402 /nfs/dbraw/zinc/86/74/02/607867402.db2.gz ZRMBNUYFENBMAG-UHFFFAOYSA-N -1 1 314.305 2.803 20 0 DFADMM Fc1cccc(Oc2ncnc3sccc32)c1-c1nn[n-]n1 ZINC000826378207 607867403 /nfs/dbraw/zinc/86/74/03/607867403.db2.gz ZRMBNUYFENBMAG-UHFFFAOYSA-N -1 1 314.305 2.803 20 0 DFADMM Cc1ccc(C[C@@H](C)N(C)c2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826286429 607900235 /nfs/dbraw/zinc/90/02/35/607900235.db2.gz BPSSNLNDPAKHKE-CYBMUJFWSA-N -1 1 308.389 2.638 20 0 DFADMM Cc1ccc(C[C@@H](C)N(C)c2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826286429 607900236 /nfs/dbraw/zinc/90/02/36/607900236.db2.gz BPSSNLNDPAKHKE-CYBMUJFWSA-N -1 1 308.389 2.638 20 0 DFADMM C[C@H]1CCN(c2cccc(-c3nnn[n-]3)n2)[C@H]1c1cccc(F)c1 ZINC000824962117 607900834 /nfs/dbraw/zinc/90/08/34/607900834.db2.gz OLRVINCAFHQLEH-MEDUHNTESA-N -1 1 324.363 2.988 20 0 DFADMM C[C@H]1CCN(c2cccc(-c3nn[n-]n3)n2)[C@H]1c1cccc(F)c1 ZINC000824962117 607900835 /nfs/dbraw/zinc/90/08/35/607900835.db2.gz OLRVINCAFHQLEH-MEDUHNTESA-N -1 1 324.363 2.988 20 0 DFADMM C[C@@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)c1ccc[nH]1 ZINC000824650586 608016831 /nfs/dbraw/zinc/01/68/31/608016831.db2.gz SDRGYZCJYQSYHV-SNVBAGLBSA-N -1 1 305.345 2.916 20 0 DFADMM C[C@@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)c1ccc[nH]1 ZINC000824650586 608016832 /nfs/dbraw/zinc/01/68/32/608016832.db2.gz SDRGYZCJYQSYHV-SNVBAGLBSA-N -1 1 305.345 2.916 20 0 DFADMM Fc1ccc2c(c1)N(c1snc(Cl)c1-c1nnn[n-]1)CC2 ZINC000826375986 608181584 /nfs/dbraw/zinc/18/15/84/608181584.db2.gz JZYYPFHIDKPMAX-UHFFFAOYSA-N -1 1 322.756 2.810 20 0 DFADMM Fc1ccc2c(c1)N(c1snc(Cl)c1-c1nn[n-]n1)CC2 ZINC000826375986 608181586 /nfs/dbraw/zinc/18/15/86/608181586.db2.gz JZYYPFHIDKPMAX-UHFFFAOYSA-N -1 1 322.756 2.810 20 0 DFADMM CCCCCN(CCCCC)c1ccc(-c2nnn[n-]2)nn1 ZINC000825271626 608400094 /nfs/dbraw/zinc/40/00/94/608400094.db2.gz LUVKPQKOMGQCNI-UHFFFAOYSA-N -1 1 303.414 2.844 20 0 DFADMM CCCCCN(CCCCC)c1ccc(-c2nn[n-]n2)nn1 ZINC000825271626 608400096 /nfs/dbraw/zinc/40/00/96/608400096.db2.gz LUVKPQKOMGQCNI-UHFFFAOYSA-N -1 1 303.414 2.844 20 0 DFADMM C[C@H](c1cccc(Cl)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824771655 608401355 /nfs/dbraw/zinc/40/13/55/608401355.db2.gz RYXRJMMQUWYIFE-SECBINFHSA-N -1 1 315.768 2.508 20 0 DFADMM C[C@H](c1cccc(Cl)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824771655 608401357 /nfs/dbraw/zinc/40/13/57/608401357.db2.gz RYXRJMMQUWYIFE-SECBINFHSA-N -1 1 315.768 2.508 20 0 DFADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(F)c(Cl)c1 ZINC000824656433 608402414 /nfs/dbraw/zinc/40/24/14/608402414.db2.gz JYXYNZYGEUAYAP-SSDOTTSWSA-N -1 1 319.731 2.622 20 0 DFADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(F)c(Cl)c1 ZINC000824656433 608402416 /nfs/dbraw/zinc/40/24/16/608402416.db2.gz JYXYNZYGEUAYAP-SSDOTTSWSA-N -1 1 319.731 2.622 20 0 DFADMM Cc1cccc(CN(CC(C)C)c2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826298319 608407446 /nfs/dbraw/zinc/40/74/46/608407446.db2.gz NOHXMWUXERMCOO-UHFFFAOYSA-N -1 1 323.404 2.628 20 0 DFADMM Cc1cccc(CN(CC(C)C)c2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826298319 608407448 /nfs/dbraw/zinc/40/74/48/608407448.db2.gz NOHXMWUXERMCOO-UHFFFAOYSA-N -1 1 323.404 2.628 20 0 DFADMM c1nc(-c2ccc(Oc3ccc(-c4nnn[n-]4)nn3)cc2)cs1 ZINC000826526485 608429807 /nfs/dbraw/zinc/42/98/07/608429807.db2.gz AONKTWXGAVYRKT-UHFFFAOYSA-N -1 1 323.341 2.573 20 0 DFADMM c1nc(-c2ccc(Oc3ccc(-c4nn[n-]n4)nn3)cc2)cs1 ZINC000826526485 608429809 /nfs/dbraw/zinc/42/98/09/608429809.db2.gz AONKTWXGAVYRKT-UHFFFAOYSA-N -1 1 323.341 2.573 20 0 DFADMM CC1(C)CCc2ccccc2[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824808540 608437028 /nfs/dbraw/zinc/43/70/28/608437028.db2.gz UXELBZHZSHDJPQ-OAHLLOKOSA-N -1 1 321.388 2.782 20 0 DFADMM CC1(C)CCc2ccccc2[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824808540 608437029 /nfs/dbraw/zinc/43/70/29/608437029.db2.gz UXELBZHZSHDJPQ-OAHLLOKOSA-N -1 1 321.388 2.782 20 0 DFADMM CN(Cc1ccc(-c2nnn[n-]2)o1)Cc1ccccc1Cl ZINC000825961652 608500599 /nfs/dbraw/zinc/50/05/99/608500599.db2.gz KNLPRPQKROBRON-UHFFFAOYSA-N -1 1 303.753 2.745 20 0 DFADMM CN(Cc1ccc(-c2nn[n-]n2)o1)Cc1ccccc1Cl ZINC000825961652 608500601 /nfs/dbraw/zinc/50/06/01/608500601.db2.gz KNLPRPQKROBRON-UHFFFAOYSA-N -1 1 303.753 2.745 20 0 DFADMM Cc1ccc(-c2nn[n-]n2)nc1NCc1ccc(Cl)cc1 ZINC000826280391 608541169 /nfs/dbraw/zinc/54/11/69/608541169.db2.gz ABRLXQFBWDQNDD-UHFFFAOYSA-N -1 1 300.753 2.836 20 0 DFADMM Cc1ccc2c(c1)[C@@H](Nc1cccc(-c3nnn[n-]3)n1)[C@@H](C)C2 ZINC000826294731 609570666 /nfs/dbraw/zinc/57/06/66/609570666.db2.gz ZYUCVHNWFDAJJV-ZBEGNZNMSA-N -1 1 306.373 2.916 20 0 DFADMM Cc1ccc2c(c1)[C@@H](Nc1cccc(-c3nn[n-]n3)n1)[C@@H](C)C2 ZINC000826294731 609570668 /nfs/dbraw/zinc/57/06/68/609570668.db2.gz ZYUCVHNWFDAJJV-ZBEGNZNMSA-N -1 1 306.373 2.916 20 0 DFADMM CC(C)CCC(=O)NCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000278291845 214069561 /nfs/dbraw/zinc/06/95/61/214069561.db2.gz WYQPEFKTGXGVFT-UHFFFAOYSA-N -1 1 307.325 2.634 20 0 DFADMM [O-]c1ccc(-c2noc([C@@H]3CCc4n[nH]cc4C3)n2)cc1F ZINC000278325066 214090495 /nfs/dbraw/zinc/09/04/95/214090495.db2.gz ZDRCNCVIUYXJEG-SECBINFHSA-N -1 1 300.293 2.577 20 0 DFADMM CC(C)(C)c1ccc(CCCCC(=O)Nc2nnn[n-]2)cc1 ZINC000076964296 185061686 /nfs/dbraw/zinc/06/16/86/185061686.db2.gz LDGVTKSASOVZKM-UHFFFAOYSA-N -1 1 301.394 2.849 20 0 DFADMM CC(C)(C)c1ccc(CCCCC(=O)Nc2nn[n-]n2)cc1 ZINC000076964296 185061688 /nfs/dbraw/zinc/06/16/88/185061688.db2.gz LDGVTKSASOVZKM-UHFFFAOYSA-N -1 1 301.394 2.849 20 0 DFADMM CCOc1ccccc1OCCSc1nc(C(=O)OC)c[n-]1 ZINC000278771879 214390213 /nfs/dbraw/zinc/39/02/13/214390213.db2.gz YGSWUWJQMNWYFT-UHFFFAOYSA-N -1 1 322.386 2.766 20 0 DFADMM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1 ZINC000065833377 398347200 /nfs/dbraw/zinc/34/72/00/398347200.db2.gz NYTTZMJPCVEAAA-UHFFFAOYSA-N -1 1 318.398 2.779 20 0 DFADMM CCn1cc(S(=O)(=O)[N-]c2c(C)c(F)ccc2Cl)cn1 ZINC000278881609 214465207 /nfs/dbraw/zinc/46/52/07/214465207.db2.gz OPZBZJDYSMWCQX-UHFFFAOYSA-N -1 1 317.773 2.805 20 0 DFADMM CCn1ccnc1C[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000295838329 529571054 /nfs/dbraw/zinc/57/10/54/529571054.db2.gz VLQDFYVPEYKDGZ-UHFFFAOYSA-N -1 1 315.270 2.589 20 0 DFADMM Cc1cc(=O)[nH]cc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000443903153 297228216 /nfs/dbraw/zinc/22/82/16/297228216.db2.gz SSXQMEUQNYJVDW-UHFFFAOYSA-N -1 1 316.741 2.689 20 0 DFADMM Cc1noc([C@@H]2CCCCN2C(=O)c2ccc([O-])cc2F)n1 ZINC000286605304 219079140 /nfs/dbraw/zinc/07/91/40/219079140.db2.gz ZZQPSPQVLNPOMV-ZDUSSCGKSA-N -1 1 305.309 2.590 20 0 DFADMM Cc1noc(C(C)C)c1C(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000066639136 398389821 /nfs/dbraw/zinc/38/98/21/398389821.db2.gz DZGUPAJLOUKGJH-UHFFFAOYSA-N -1 1 323.422 2.871 20 0 DFADMM COc1ccc(C)cc1[C@@H](C)[N-]S(=O)(=O)c1c(C)noc1C ZINC000015331872 398394981 /nfs/dbraw/zinc/39/49/81/398394981.db2.gz AVBTVEREPHNDJI-SNVBAGLBSA-N -1 1 324.402 2.648 20 0 DFADMM CCc1nc(C)c(C(=O)[N-]c2nnc(C(F)(F)F)s2)o1 ZINC000292450196 529720899 /nfs/dbraw/zinc/72/08/99/529720899.db2.gz IOWASGYZRNMALH-UHFFFAOYSA-N -1 1 306.269 2.668 20 0 DFADMM Cc1ncccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000084505086 398403406 /nfs/dbraw/zinc/40/34/06/398403406.db2.gz VLTATPHMELJSQM-UHFFFAOYSA-N -1 1 318.398 2.904 20 0 DFADMM Cc1nc(-c2ccc(N[C@H](C)c3ccn(C)n3)nc2)[n-]c(=O)c1C ZINC000413442458 295708995 /nfs/dbraw/zinc/70/89/95/295708995.db2.gz ADUWMJDMWLRQEF-GFCCVEGCSA-N -1 1 324.388 2.768 20 0 DFADMM C[N@@H+](Cc1cc(F)cc(F)c1)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459425523 299102742 /nfs/dbraw/zinc/10/27/42/299102742.db2.gz MHLSSTACDDGAQC-UHFFFAOYSA-N -1 1 305.328 2.970 20 0 DFADMM CC(=O)Nc1ccc(CNC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000022511530 398418552 /nfs/dbraw/zinc/41/85/52/398418552.db2.gz GDGSADOWVMWVAZ-UHFFFAOYSA-N -1 1 318.760 2.934 20 0 DFADMM COc1ccc(NC(=O)c2ccccc2[O-])cc1NC(C)=O ZINC000026618084 398455570 /nfs/dbraw/zinc/45/55/70/398455570.db2.gz GIHHVQUADPBVNZ-UHFFFAOYSA-N -1 1 300.314 2.612 20 0 DFADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccsc1 ZINC000089750359 398465189 /nfs/dbraw/zinc/46/51/89/398465189.db2.gz BFZPKUDSTBALNV-UHFFFAOYSA-N -1 1 303.386 2.617 20 0 DFADMM O=S(=O)([N-]C[C@@H]1CC=CCC1)c1ccc(Br)o1 ZINC000330808142 232083173 /nfs/dbraw/zinc/08/31/73/232083173.db2.gz IIDCYVCJMKXLNC-SECBINFHSA-N -1 1 320.208 2.677 20 0 DFADMM COCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000068075773 398477323 /nfs/dbraw/zinc/47/73/23/398477323.db2.gz SKSCQHUFNIWGLJ-UHFFFAOYSA-N -1 1 319.382 2.664 20 0 DFADMM O=C(Nc1ccc(NC(=O)c2cncc([O-])c2)cc1)c1ccco1 ZINC000109042902 185548359 /nfs/dbraw/zinc/54/83/59/185548359.db2.gz ILCQZXPZIUVYDA-UHFFFAOYSA-N -1 1 323.308 2.885 20 0 DFADMM CN1CCC[C@H](NC(=O)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000592853307 398496419 /nfs/dbraw/zinc/49/64/19/398496419.db2.gz FYPPUODXHQEUCO-QMMMGPOBSA-N -1 1 303.189 2.523 20 0 DFADMM O=C(c1cc(Cl)ccc1[O-])N1CCOC[C@H]1CC(F)F ZINC000286790408 219168175 /nfs/dbraw/zinc/16/81/75/219168175.db2.gz TWZOEFTUBKFDAZ-SECBINFHSA-N -1 1 305.708 2.542 20 0 DFADMM COc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2C)c(F)c1 ZINC000588672027 398502772 /nfs/dbraw/zinc/50/27/72/398502772.db2.gz HXSDKIIQVFYUKB-ZANVPECISA-N -1 1 319.373 2.830 20 0 DFADMM CCN(CCSC)C(=O)c1ccc(Br)cc1[O-] ZINC000592917583 398508291 /nfs/dbraw/zinc/50/82/91/398508291.db2.gz JGGDYWKZPKPWQL-UHFFFAOYSA-N -1 1 318.236 2.980 20 0 DFADMM CCN(CCSC)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000592922225 398509225 /nfs/dbraw/zinc/50/92/25/398509225.db2.gz RDOIFUJPYIZHHT-UHFFFAOYSA-N -1 1 303.811 2.879 20 0 DFADMM O=C([O-])C[C@H]1CSCCN1CCSc1ccccc1F ZINC000091132148 398510956 /nfs/dbraw/zinc/51/09/56/398510956.db2.gz LGMFHGFKTFTABB-NSHDSACASA-N -1 1 315.435 2.810 20 0 DFADMM O=C([O-])C[C@H]1CSCCN1CCOc1ccccc1Cl ZINC000091131693 398511156 /nfs/dbraw/zinc/51/11/56/398511156.db2.gz OWWLZFAQINNILN-NSHDSACASA-N -1 1 315.822 2.611 20 0 DFADMM CCc1ccc(C(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)c([O-])c1 ZINC000279629155 215018032 /nfs/dbraw/zinc/01/80/32/215018032.db2.gz CZVQQSQUDMBFHS-LBPRGKRZSA-N -1 1 315.373 2.824 20 0 DFADMM COC(=O)[C@H](c1ccccc1C)N1CCC[C@H](CC(=O)[O-])CC1 ZINC000592990511 398515226 /nfs/dbraw/zinc/51/52/26/398515226.db2.gz ZZWWYOPUKYAHAZ-YOEHRIQHSA-N -1 1 319.401 2.786 20 0 DFADMM CCOC(=O)[C@@H](Sc1ncc(C)c(=O)[n-]1)c1ccccc1 ZINC000314908752 398522222 /nfs/dbraw/zinc/52/22/22/398522222.db2.gz OCGCIFHNMJVRAK-LBPRGKRZSA-N -1 1 304.371 2.887 20 0 DFADMM C[C@H]1[C@@H](CO)CCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000414047173 295760799 /nfs/dbraw/zinc/76/07/99/295760799.db2.gz YIGZTIVYZRIYBA-VHSXEESVSA-N -1 1 317.307 2.644 20 0 DFADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@H](F)C1 ZINC000567118974 302337615 /nfs/dbraw/zinc/33/76/15/302337615.db2.gz SBUKTUCSNWWODS-VIFPVBQESA-N -1 1 302.143 2.729 20 0 DFADMM CCOCCC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000032548878 398533140 /nfs/dbraw/zinc/53/31/40/398533140.db2.gz JJWKTGMRNSBVNB-UHFFFAOYSA-N -1 1 318.247 2.760 20 0 DFADMM CC[C@@H](CC(=O)/N=c1/ccnc2n(C)[n-]cc1-2)c1ccccc1 ZINC000279735144 215102758 /nfs/dbraw/zinc/10/27/58/215102758.db2.gz JSOLFHNIMDWLNE-JPDJOPTESA-N -1 1 308.385 2.864 20 0 DFADMM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1nn[n-]n1 ZINC000034363095 398548343 /nfs/dbraw/zinc/54/83/43/398548343.db2.gz RNHNVOQBSCXWNQ-UHFFFAOYSA-N -1 1 320.765 2.537 20 0 DFADMM Cc1cc([O-])c(C(=O)C=Cc2ccccc2OC(F)F)c(=O)o1 ZINC000035104425 398549294 /nfs/dbraw/zinc/54/92/94/398549294.db2.gz FIDWZKBNRJKPJM-AFNCTOJWSA-N -1 1 322.263 2.516 20 0 DFADMM O=C(NCc1nc(-c2cccs2)no1)c1cc(F)ccc1[O-] ZINC000080022204 282617018 /nfs/dbraw/zinc/61/70/18/282617018.db2.gz FTBMCJPRRJUODZ-UHFFFAOYSA-N -1 1 319.317 2.573 20 0 DFADMM Cc1nnc2n1CCC[C@@H]2NC(=O)c1ccc2ccccc2c1[O-] ZINC000092423382 398575053 /nfs/dbraw/zinc/57/50/53/398575053.db2.gz WQTBIVBGCLXHKN-HNNXBMFYSA-N -1 1 322.368 2.710 20 0 DFADMM CCCC[C@@H](CCC)NC(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287045054 219285180 /nfs/dbraw/zinc/28/51/80/219285180.db2.gz DKGFVWIKMTZSGL-KMCFQHSYSA-N -1 1 303.410 2.822 20 0 DFADMM CC(=O)N[C@H](CC1CCC1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000279972906 215281633 /nfs/dbraw/zinc/28/16/33/215281633.db2.gz ULFGXFLVMAZYAS-CYBMUJFWSA-N -1 1 310.781 2.679 20 0 DFADMM CCc1onc(C)c1[N-]C(=O)c1csc(-c2cnccn2)n1 ZINC000089398831 282652659 /nfs/dbraw/zinc/65/26/59/282652659.db2.gz DKJWGCREYHMVTO-UHFFFAOYSA-N -1 1 315.358 2.711 20 0 DFADMM CC(C)C(=O)C[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000133656584 186003977 /nfs/dbraw/zinc/00/39/77/186003977.db2.gz HPDIBKVMOHOZAC-UHFFFAOYSA-N -1 1 324.229 2.638 20 0 DFADMM O=C(CCCCc1cn[nH]n1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000139536941 186022985 /nfs/dbraw/zinc/02/29/85/186022985.db2.gz IQMNDVFHFSHMFV-UHFFFAOYSA-N -1 1 317.374 2.586 20 0 DFADMM CCC[C@H](NC(=O)c1cc(C)c(Cl)cc1C)c1nn[n-]n1 ZINC000280010452 215309120 /nfs/dbraw/zinc/30/91/20/215309120.db2.gz SSVCNDCQIJAOEJ-LBPRGKRZSA-N -1 1 307.785 2.741 20 0 DFADMM COC(=O)[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000171462911 186163385 /nfs/dbraw/zinc/16/33/85/186163385.db2.gz COJYLFWNCCACCJ-CYBMUJFWSA-N -1 1 313.353 2.571 20 0 DFADMM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2c(F)cccc2F)s1 ZINC000175631059 186182669 /nfs/dbraw/zinc/18/26/69/186182669.db2.gz OLJHTELGNOPMFK-MRVPVSSYSA-N -1 1 318.370 2.769 20 0 DFADMM O=C(c1cncc([O-])c1)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000183840766 186223050 /nfs/dbraw/zinc/22/30/50/186223050.db2.gz YRDAZGQXTDUKQT-OAHLLOKOSA-N -1 1 318.760 2.654 20 0 DFADMM O=C(c1ncccc1[O-])N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000183841369 186223420 /nfs/dbraw/zinc/22/34/20/186223420.db2.gz FAMUFXWJXAXGGO-CQSZACIVSA-N -1 1 318.760 2.654 20 0 DFADMM O=S(=O)(C[C@H]1CCCO1)[N-]c1ccc2oc(C3CC3)nc2c1 ZINC000172365588 198086210 /nfs/dbraw/zinc/08/62/10/198086210.db2.gz OFZNUIZDENVKMC-GFCCVEGCSA-N -1 1 322.386 2.626 20 0 DFADMM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)cc1 ZINC000388257848 398667593 /nfs/dbraw/zinc/66/75/93/398667593.db2.gz AODNUJGVWGIQHD-UHFFFAOYSA-N -1 1 323.418 2.907 20 0 DFADMM Cc1ccc(N(C)C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1 ZINC000080621963 192174454 /nfs/dbraw/zinc/17/44/54/192174454.db2.gz GWSFTFNLXFSWMM-UHFFFAOYSA-N -1 1 313.401 2.961 20 0 DFADMM CC(C)(CO)CCC[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000121695057 282814308 /nfs/dbraw/zinc/81/43/08/282814308.db2.gz DJBJDMZPFPIAAD-UHFFFAOYSA-N -1 1 311.403 2.510 20 0 DFADMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c(Cl)c1 ZINC000398264513 398682354 /nfs/dbraw/zinc/68/23/54/398682354.db2.gz BSBLQEOCKUFVRJ-NSHDSACASA-N -1 1 320.748 2.678 20 0 DFADMM Cc1ncc(CN(C)CCOc2cccc(C(=O)[O-])c2)s1 ZINC000400125501 398684275 /nfs/dbraw/zinc/68/42/75/398684275.db2.gz RWEDALVRKJSBNS-UHFFFAOYSA-N -1 1 306.387 2.661 20 0 DFADMM CCn1ccnc1[C@H]1CCCCN1C(=O)c1ncc(C)cc1[O-] ZINC000331903977 234257302 /nfs/dbraw/zinc/25/73/02/234257302.db2.gz MCKBESNSBVETBM-CYBMUJFWSA-N -1 1 314.389 2.679 20 0 DFADMM 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1 323.364 2.868 20 0 DFADMM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1cccc(C)c1C ZINC000115593280 426169233 /nfs/dbraw/zinc/16/92/33/426169233.db2.gz FCTCZYMYAVOAPD-NSHDSACASA-N -1 1 308.403 2.948 20 0 DFADMM COc1ccc(NC(=O)c2cncc([O-])c2)cc1Br ZINC000078470503 426171189 /nfs/dbraw/zinc/17/11/89/426171189.db2.gz GXGRJKPDNTVFTQ-UHFFFAOYSA-N -1 1 323.146 2.811 20 0 DFADMM Cn1c(Cc2csc(NC(=O)CCC3CC3)n2)n[n-]c1=S ZINC000115709161 426172372 /nfs/dbraw/zinc/17/23/72/426172372.db2.gz OSCAAYPRWFTXEB-UHFFFAOYSA-N -1 1 323.447 2.654 20 0 DFADMM CC1(C)C[C@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)CCO1 ZINC000133166164 426172739 /nfs/dbraw/zinc/17/27/39/426172739.db2.gz DAQMCYWVPXGUOI-SECBINFHSA-N -1 1 321.801 2.715 20 0 DFADMM Cn1cc([C@H]2CCN(C(=O)c3ccc4ccccc4c3[O-])C2)cn1 ZINC000116117674 426179968 /nfs/dbraw/zinc/17/99/68/426179968.db2.gz RIGDTAPNEDFTKC-AWEZNQCLSA-N -1 1 321.380 2.909 20 0 DFADMM CN(CC(=O)OC(C)(C)C)C(=O)c1ccc2ccccc2c1[O-] ZINC000171300130 426182546 /nfs/dbraw/zinc/18/25/46/426182546.db2.gz LYPNWXPIYZZAEM-UHFFFAOYSA-N -1 1 315.369 2.959 20 0 DFADMM O=S(=O)([N-]c1cc(F)ccc1OCC(F)(F)F)C1CC1 ZINC000171332652 426184332 /nfs/dbraw/zinc/18/43/32/426184332.db2.gz HCDOXBNOLNAJAF-UHFFFAOYSA-N -1 1 313.272 2.671 20 0 DFADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(-c2nc[nH]n2)cc1 ZINC000117739605 426222509 /nfs/dbraw/zinc/22/25/09/426222509.db2.gz DURDGEWINCEOIW-UHFFFAOYSA-N -1 1 314.370 2.581 20 0 DFADMM C[C@@H]1Oc2ccc(NC(=O)c3cc(F)ccc3[O-])cc2NC1=O ZINC000081933065 426226759 /nfs/dbraw/zinc/22/67/59/426226759.db2.gz BIJOYHCCOIAQFK-QMMMGPOBSA-N -1 1 316.288 2.503 20 0 DFADMM CN(CCOc1ccccc1F)C(=O)c1cc(F)ccc1[O-] ZINC000081931537 426227223 /nfs/dbraw/zinc/22/72/23/426227223.db2.gz BMXFYDTUAAPILO-UHFFFAOYSA-N -1 1 307.296 2.821 20 0 DFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC1C[C@H](C)C[C@H](C)C1 ZINC000081812652 426227333 /nfs/dbraw/zinc/22/73/33/426227333.db2.gz ITBCBWUXCNBGAB-QYJAPNMZSA-N -1 1 319.449 2.930 20 0 DFADMM CC(C)C[C@H]1C[C@H]([N-]S(=O)(=O)c2sccc2F)CCO1 ZINC000338945939 268744421 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COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)cn1 ZINC000117227349 426209470 /nfs/dbraw/zinc/20/94/70/426209470.db2.gz YHGYMSZOVZONJA-UHFFFAOYSA-N -1 1 322.386 2.516 20 0 DFADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1nc(C(C)(C)C)no1 ZINC000080032568 426209657 /nfs/dbraw/zinc/20/96/57/426209657.db2.gz JCXWYDCDYZMTND-QMMMGPOBSA-N -1 1 307.325 2.703 20 0 DFADMM O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1cncc([O-])c1 ZINC000171866423 426216837 /nfs/dbraw/zinc/21/68/37/426216837.db2.gz JNVBCJCNKPYTGM-WMLDXEAASA-N -1 1 312.369 2.685 20 0 DFADMM Cc1csc2nc(-c3cccc(OCC(F)F)n3)[n-]c(=O)c12 ZINC000089583700 426298058 /nfs/dbraw/zinc/29/80/58/426298058.db2.gz SKLOGYPTISYFNL-UHFFFAOYSA-N -1 1 323.324 2.999 20 0 DFADMM COc1ccc(OC)c([C@@H](C)[N-]C(=O)C(F)(F)C(F)F)c1 ZINC000175772020 426327148 /nfs/dbraw/zinc/32/71/48/426327148.db2.gz KOWDXCFLZASOKG-SSDOTTSWSA-N -1 1 309.259 2.781 20 0 DFADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cn1 ZINC000121320701 426334293 /nfs/dbraw/zinc/33/42/93/426334293.db2.gz 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/nfs/dbraw/zinc/35/47/03/426354703.db2.gz ICROSMVTNYMFBV-ZDUSSCGKSA-N -1 1 318.760 2.734 20 0 DFADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NCC(F)F)c([O-])c1 ZINC000176313848 426368752 /nfs/dbraw/zinc/36/87/52/426368752.db2.gz IQLJSQHTXCHQCN-UHFFFAOYSA-N -1 1 316.304 2.734 20 0 DFADMM CCC[C@@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1nn[n-]n1 ZINC000176749317 426410134 /nfs/dbraw/zinc/41/01/34/426410134.db2.gz XLRILEOHATXGTK-SNVBAGLBSA-N -1 1 318.768 2.606 20 0 DFADMM CCC[C@H](NC(=O)C[C@@H]1CCCc2ccccc21)c1nn[n-]n1 ZINC000176747883 426410459 /nfs/dbraw/zinc/41/04/59/426410459.db2.gz HTCINDSOIHDREP-ZFWWWQNUSA-N -1 1 313.405 2.667 20 0 DFADMM CCC[C@@H](NC(=O)CCc1ccc(Cl)s1)c1nn[n-]n1 ZINC000176767315 426413226 /nfs/dbraw/zinc/41/32/26/426413226.db2.gz UPWNJJYJZKRTPJ-SECBINFHSA-N -1 1 313.814 2.505 20 0 DFADMM CCC[C@@H](NC(=O)c1cc(Cl)ccc1Cl)c1nn[n-]n1 ZINC000176777250 426413827 /nfs/dbraw/zinc/41/38/27/426413827.db2.gz LXGPFLUODCMMKW-SNVBAGLBSA-N -1 1 314.176 2.778 20 0 DFADMM Cc1[nH+]ccn1CCCN(C)C(=O)Cc1ccc(O)cc1Cl ZINC000153978929 426415616 /nfs/dbraw/zinc/41/56/16/426415616.db2.gz KPYOKYMNMGKOPT-UHFFFAOYSA-N -1 1 321.808 2.642 20 0 DFADMM Cc1ccc([C@@H]2CN(C(=O)c3cc(F)ccc3[O-])CCO2)o1 ZINC000154308044 426436034 /nfs/dbraw/zinc/43/60/34/426436034.db2.gz IHKRZQGTJUNBFB-HNNXBMFYSA-N -1 1 305.305 2.646 20 0 DFADMM C[C@@H](Nc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(F)c2ccccc21 ZINC000340773285 269011157 /nfs/dbraw/zinc/01/11/57/269011157.db2.gz GCATYIMMGUTTPX-SECBINFHSA-N -1 1 323.331 2.897 20 0 DFADMM CC[C@H](CSC)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000340974353 269031466 /nfs/dbraw/zinc/03/14/66/269031466.db2.gz QLAZUQXEHGNSHP-SECBINFHSA-N -1 1 311.831 2.899 20 0 DFADMM Cc1ccc(C(=O)NC2(c3nn[n-]n3)CCCC2)c(Cl)c1C ZINC000341300665 269064207 /nfs/dbraw/zinc/06/42/07/269064207.db2.gz DZKREFUDBSGPDH-UHFFFAOYSA-N -1 1 319.796 2.669 20 0 DFADMM O=C(Nc1cccc(-c2nnco2)c1)c1c(F)ccc([O-])c1F ZINC000341314034 269067510 /nfs/dbraw/zinc/06/75/10/269067510.db2.gz LGHFACZGWYUOMT-UHFFFAOYSA-N -1 1 317.251 2.973 20 0 DFADMM O=S(=O)(Cc1cccc(F)c1)[N-]c1ccc(Cl)cn1 ZINC000177300681 426465290 /nfs/dbraw/zinc/46/52/90/426465290.db2.gz JKOVEKBIRNRFPX-UHFFFAOYSA-N -1 1 300.742 2.816 20 0 DFADMM CC(C)[C@@H](NC(=O)c1c([O-])cccc1F)c1nc(C2CC2)no1 ZINC000124111725 426470087 /nfs/dbraw/zinc/47/00/87/426470087.db2.gz NFBOEFPVEBQAMH-CYBMUJFWSA-N -1 1 319.336 2.919 20 0 DFADMM CC(C)[C@@H](CC(=O)N(C)C[C@H](C)c1nn[n-]n1)c1ccccc1 ZINC000124400004 426483268 /nfs/dbraw/zinc/48/32/68/426483268.db2.gz HQYPPDGQRXRTMY-DZGCQCFKSA-N -1 1 315.421 2.592 20 0 DFADMM Cc1nn(C)cc1S(=O)(=O)[N-]c1cc(C)c(F)cc1Cl ZINC000288129737 426509817 /nfs/dbraw/zinc/50/98/17/426509817.db2.gz DPKNRLOEPHMWEI-UHFFFAOYSA-N -1 1 317.773 2.630 20 0 DFADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000272482591 426537610 /nfs/dbraw/zinc/53/76/10/426537610.db2.gz QZMHBIUEWKKCNM-UHFFFAOYSA-N -1 1 301.318 2.765 20 0 DFADMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)N2CCCCC2)n1 ZINC000195550178 426539518 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CC(=O)N[C@@H](CC(C)C)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000288960316 426558721 /nfs/dbraw/zinc/55/87/21/426558721.db2.gz DBNSXYSCQOVGHL-LBPRGKRZSA-N -1 1 307.325 2.805 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC1C(C)(C)C1(C)C ZINC000280637498 426620425 /nfs/dbraw/zinc/62/04/25/426620425.db2.gz SXYTYXFGWPSSES-UHFFFAOYSA-N -1 1 309.435 2.625 20 0 DFADMM Cn1[n-]cc2/c(=N/C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]34)ccnc1-2 ZINC000289381470 426643579 /nfs/dbraw/zinc/64/35/79/426643579.db2.gz JEDUNZAFURPOQQ-HQPUIKHQSA-N -1 1 312.417 2.887 20 0 DFADMM O=c1nc([C@H]2CCCCN2Cc2cccc(Cl)c2F)[nH][n-]1 ZINC000289444469 426658770 /nfs/dbraw/zinc/65/87/70/426658770.db2.gz WVGXOHSKXHEEDO-LLVKDONJSA-N -1 1 310.760 2.618 20 0 DFADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc([S@](C)=O)cc1 ZINC000187504812 426666864 /nfs/dbraw/zinc/66/68/64/426666864.db2.gz ICYXCNUCJSJLJM-FQEVSTJZSA-N -1 1 323.439 2.787 20 0 DFADMM CCCCN(CC(F)(F)F)C(=O)C(=O)c1ccc([O-])cc1 ZINC000280913278 426684286 /nfs/dbraw/zinc/68/42/86/426684286.db2.gz 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/nfs/dbraw/zinc/35/10/44/318351044.db2.gz JMTWNDGEKQDDPG-NXEZZACHSA-N -1 1 314.788 2.739 20 0 DFADMM O=S(=O)([N-]c1cnc[nH]1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000580017413 318368854 /nfs/dbraw/zinc/36/88/54/318368854.db2.gz HSRSRLGDGBGASL-UHFFFAOYSA-N -1 1 311.366 2.782 20 0 DFADMM CCNC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000193651809 323257298 /nfs/dbraw/zinc/25/72/98/323257298.db2.gz URQJUYYLXUBLMQ-UHFFFAOYSA-N -1 1 319.386 2.629 20 0 DFADMM O=C(Nc1ccn(Cc2ccccc2)n1)c1ccc(O)cc1[O-] ZINC000193794410 323258973 /nfs/dbraw/zinc/25/89/73/323258973.db2.gz AXLSYCLCBUSCIA-UHFFFAOYSA-N -1 1 309.325 2.595 20 0 DFADMM Cc1c(Cl)cccc1NC(=O)CN1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000397046680 323354387 /nfs/dbraw/zinc/35/43/87/323354387.db2.gz VWPSYBMEBZSBKL-CMPLNLGQSA-N -1 1 324.808 2.772 20 0 DFADMM Cc1ccc(-c2noc(CN3C[C@H](C(=O)[O-])CC[C@@H]3C)n2)cc1 ZINC000397493279 323355569 /nfs/dbraw/zinc/35/55/69/323355569.db2.gz NLHHRTXQXFZIDL-GXTWGEPZSA-N -1 1 315.373 2.730 20 0 DFADMM Cc1cnc(SCC(=O)N[C@H](C)c2cccs2)[n-]c1=O ZINC000581499723 323532878 /nfs/dbraw/zinc/53/28/78/323532878.db2.gz QFTIZIGNXBKDHE-SECBINFHSA-N -1 1 309.416 2.522 20 0 DFADMM CCOc1cc(C(=O)N2CCOC[C@H](C)C2)cc(Cl)c1[O-] ZINC000364965209 520658809 /nfs/dbraw/zinc/65/88/09/520658809.db2.gz SXPKDPWXXFHLEV-SNVBAGLBSA-N -1 1 313.781 2.553 20 0 DFADMM C[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)N1CCCCCC1 ZINC000188150871 526002984 /nfs/dbraw/zinc/00/29/84/526002984.db2.gz XRNMBDQARWKIIP-LLVKDONJSA-N -1 1 321.446 2.943 20 0 DFADMM CC(C)C1(C)CCN(C(=O)c2ccc3n[n-]c(=S)n3c2)CC1 ZINC000295856841 527596099 /nfs/dbraw/zinc/59/60/99/527596099.db2.gz XXUJTYJNDHALEA-UHFFFAOYSA-N -1 1 318.446 2.916 20 0 DFADMM CCOc1cc(C(=O)N2C[C@@H](F)[C@@H](F)C2)cc(Cl)c1[O-] ZINC000296915088 528219723 /nfs/dbraw/zinc/21/97/23/528219723.db2.gz MRDVTPBNMBFXOH-AOOOYVTPSA-N -1 1 305.708 2.576 20 0 DFADMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)C2CCOCC2)n1 ZINC000295044311 528614225 /nfs/dbraw/zinc/61/42/25/528614225.db2.gz 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ZINC000361976536 535769396 /nfs/dbraw/zinc/76/93/96/535769396.db2.gz JUBUFCUBVDZNCG-UWVGGRQHSA-N -1 1 323.817 2.555 20 0 DFADMM CCc1ccc(NC(=O)c2cnc3n(C)[n-]cc-3c2=O)cc1F ZINC000358410306 536189823 /nfs/dbraw/zinc/18/98/23/536189823.db2.gz KFNPEEVGXLUZMG-UHFFFAOYSA-N -1 1 314.320 2.628 20 0 DFADMM COc1ccccc1CNC(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000357557093 537047058 /nfs/dbraw/zinc/04/70/58/537047058.db2.gz KHCZVZOYXYONIZ-UHFFFAOYSA-N -1 1 323.352 2.582 20 0 DFADMM COc1ccccc1CNC(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000357557093 537047060 /nfs/dbraw/zinc/04/70/60/537047060.db2.gz KHCZVZOYXYONIZ-UHFFFAOYSA-N -1 1 323.352 2.582 20 0 DFADMM Cc1nc2ccccc2n1CCNC(=O)c1ccc([O-])c(F)c1 ZINC000681015865 545581535 /nfs/dbraw/zinc/58/15/35/545581535.db2.gz ITYDNCZDCPBKQK-UHFFFAOYSA-N -1 1 313.332 2.619 20 0 DFADMM C[C@H]1Oc2ccc(NC(=O)c3ccc([O-])c(F)c3)cc2NC1=O ZINC000681016401 545582541 /nfs/dbraw/zinc/58/25/41/545582541.db2.gz VHOMEUBBFANRBR-MRVPVSSYSA-N -1 1 316.288 2.503 20 0 DFADMM C[C@@H](CNC(=O)c1ccc([O-])c(F)c1)N(C)c1ccccc1 ZINC000681019601 545582745 /nfs/dbraw/zinc/58/27/45/545582745.db2.gz LMUKHMWESYWNEH-LBPRGKRZSA-N -1 1 302.349 2.786 20 0 DFADMM COCCN(Cc1ccccc1)C(=O)c1ccc([O-])c(F)c1 ZINC000681016991 545583070 /nfs/dbraw/zinc/58/30/70/545583070.db2.gz SHHVMUAAQBPTCS-UHFFFAOYSA-N -1 1 303.333 2.820 20 0 DFADMM COCCOc1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000681017468 545583138 /nfs/dbraw/zinc/58/31/38/545583138.db2.gz AOQUFBHEIJVGMW-UHFFFAOYSA-N -1 1 305.305 2.809 20 0 DFADMM O=C(NC1CCN(c2ccccc2)CC1)c1ccc([O-])c(F)c1 ZINC000681021488 545584060 /nfs/dbraw/zinc/58/40/60/545584060.db2.gz VACBMUVUROYFPJ-UHFFFAOYSA-N -1 1 314.360 2.930 20 0 DFADMM C[C@@H]1Cc2ccccc2N1CCNC(=O)c1ccc([O-])c(F)c1 ZINC000681032737 545585917 /nfs/dbraw/zinc/58/59/17/545585917.db2.gz MJBKBRCVMKXVLR-GFCCVEGCSA-N -1 1 314.360 2.712 20 0 DFADMM NC(=O)c1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1Cl ZINC000681045301 545588219 /nfs/dbraw/zinc/58/82/19/545588219.db2.gz PSMNVZDTVADSHF-UHFFFAOYSA-N -1 1 308.696 2.536 20 0 DFADMM COc1cccc2c1OCC[C@H]2NC(=O)c1ccc([O-])cc1F ZINC000681516520 545660916 /nfs/dbraw/zinc/66/09/16/545660916.db2.gz XEPJFMGJDXDADM-CQSZACIVSA-N -1 1 317.316 2.794 20 0 DFADMM CC(C)(C)OCc1cc(CNC(=O)c2ccc([O-])c(F)c2)no1 ZINC000681627948 545684959 /nfs/dbraw/zinc/68/49/59/545684959.db2.gz FCSZINGSGDSWSC-UHFFFAOYSA-N -1 1 322.336 2.764 20 0 DFADMM CO[C@@]1(C(F)(F)F)CCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000682018099 545775162 /nfs/dbraw/zinc/77/51/62/545775162.db2.gz RJYDPGQSKJVHAT-ZDUSSCGKSA-N -1 1 321.270 2.715 20 0 DFADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)C12CC(c3ccccc3)(C1)C2 ZINC000682882116 545934615 /nfs/dbraw/zinc/93/46/15/545934615.db2.gz GIQJDSSGPARIDI-UHFFFAOYSA-N -1 1 322.290 2.884 20 0 DFADMM CC[C@@]1([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCOC1 ZINC000682937271 545944516 /nfs/dbraw/zinc/94/45/16/545944516.db2.gz HCVMWJLZXOHWRL-GFCCVEGCSA-N -1 1 324.229 2.841 20 0 DFADMM CC[C@H](C)c1nnc([C@@H](C)NC(=O)c2ccc([O-])c(F)c2)[nH]1 ZINC000683122062 545976152 /nfs/dbraw/zinc/97/61/52/545976152.db2.gz UATMXUAQTIXSGB-DTWKUNHWSA-N -1 1 306.341 2.654 20 0 DFADMM O=C([N-]c1nnc(Cc2ccccc2)s1)c1nccs1 ZINC000683535172 546055859 /nfs/dbraw/zinc/05/58/59/546055859.db2.gz JHVNBJGEBJOGNO-UHFFFAOYSA-N -1 1 302.384 2.838 20 0 DFADMM CCCC(C)(C)CC(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000683892856 546113619 /nfs/dbraw/zinc/11/36/19/546113619.db2.gz NOWILHSOBMTECV-CQSZACIVSA-N -1 1 301.394 2.622 20 0 DFADMM CC(C)([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(F)F ZINC000684597304 546249334 /nfs/dbraw/zinc/24/93/34/546249334.db2.gz GYQUFLXMXHNFED-UHFFFAOYSA-N -1 1 301.717 2.801 20 0 DFADMM C[C@@H](O)C1CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)CC1 ZINC000684875572 546296515 /nfs/dbraw/zinc/29/65/15/546296515.db2.gz KGWMEQNRMRPXOO-SECBINFHSA-N -1 1 317.307 2.644 20 0 DFADMM CN(C[C@@H]1CCC[C@@H]1O)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684877212 546296854 /nfs/dbraw/zinc/29/68/54/546296854.db2.gz MKOWMIZHFKBCRY-JQWIXIFHSA-N -1 1 317.307 2.644 20 0 DFADMM CC(C)(C)C[C@@H](CO)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684876991 546296885 /nfs/dbraw/zinc/29/68/85/546296885.db2.gz JDZOJZMVCZSXMC-JTQLQIEISA-N -1 1 319.323 2.938 20 0 DFADMM CC1(CNc2c3ccccc3nnc2-c2nnn[n-]2)CCCC1 ZINC000736216409 598966425 /nfs/dbraw/zinc/96/64/25/598966425.db2.gz HWKCICIHDLVKMO-UHFFFAOYSA-N -1 1 309.377 2.802 20 0 DFADMM CC1(CNc2c3ccccc3nnc2-c2nn[n-]n2)CCCC1 ZINC000736216409 598966426 /nfs/dbraw/zinc/96/64/26/598966426.db2.gz HWKCICIHDLVKMO-UHFFFAOYSA-N -1 1 309.377 2.802 20 0 DFADMM CC[C@H](C)c1ccccc1OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736330396 598981225 /nfs/dbraw/zinc/98/12/25/598981225.db2.gz XIMFFQFBHAXXHO-NSHDSACASA-N -1 1 323.356 2.994 20 0 DFADMM CC[C@H](C)c1ccccc1OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736330396 598981227 /nfs/dbraw/zinc/98/12/27/598981227.db2.gz XIMFFQFBHAXXHO-NSHDSACASA-N -1 1 323.356 2.994 20 0 DFADMM FC(F)(F)Cc1cccc(Nc2nccnc2-c2nnn[n-]2)c1 ZINC000822718533 599085979 /nfs/dbraw/zinc/08/59/79/599085979.db2.gz LZHZCVBYTFIKDZ-UHFFFAOYSA-N -1 1 321.266 2.505 20 0 DFADMM FC(F)(F)Cc1cccc(Nc2nccnc2-c2nn[n-]n2)c1 ZINC000822718533 599085981 /nfs/dbraw/zinc/08/59/81/599085981.db2.gz LZHZCVBYTFIKDZ-UHFFFAOYSA-N -1 1 321.266 2.505 20 0 DFADMM CC(C)[C@@H](C)Sc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000820020465 599098942 /nfs/dbraw/zinc/09/89/42/599098942.db2.gz HLYLXWBQERXNDD-SECBINFHSA-N -1 1 300.391 2.947 20 0 DFADMM CC[C@H](C)c1ccc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736327436 599149457 /nfs/dbraw/zinc/14/94/57/599149457.db2.gz KXUQVUNRYYYBLV-NSHDSACASA-N -1 1 323.356 2.994 20 0 DFADMM CC[C@H](C)c1ccc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736327436 599149460 /nfs/dbraw/zinc/14/94/60/599149460.db2.gz KXUQVUNRYYYBLV-NSHDSACASA-N -1 1 323.356 2.994 20 0 DFADMM Fc1cccc2c1nc(-c1ccc(-c3nnn[n-]3)o1)n2C1CC1 ZINC000822792399 599156634 /nfs/dbraw/zinc/15/66/34/599156634.db2.gz VHOSKSVXJOUKFO-UHFFFAOYSA-N -1 1 310.292 2.950 20 0 DFADMM Fc1cccc2c1nc(-c1ccc(-c3nn[n-]n3)o1)n2C1CC1 ZINC000822792399 599156636 /nfs/dbraw/zinc/15/66/36/599156636.db2.gz VHOSKSVXJOUKFO-UHFFFAOYSA-N -1 1 310.292 2.950 20 0 DFADMM C[C@H](COC(=O)c1sccc1-c1nn[n-]n1)c1ccccc1 ZINC000736036511 599215935 /nfs/dbraw/zinc/21/59/35/599215935.db2.gz BWFFLLHSTOMBCH-SNVBAGLBSA-N -1 1 314.370 2.889 20 0 DFADMM CN(CCC(=O)[O-])CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000737992802 596994743 /nfs/dbraw/zinc/99/47/43/596994743.db2.gz UEVVTIAOVAPUHM-LJQANCHMSA-N -1 1 324.229 2.508 20 0 DFADMM CCc1ccccc1NC(=O)[C@H](C)N1CCC[C@H](CC(=O)[O-])C1 ZINC000818339291 597079916 /nfs/dbraw/zinc/07/99/16/597079916.db2.gz KMSXRYXKYNIGEC-UONOGXRCSA-N -1 1 318.417 2.763 20 0 DFADMM Cc1ccc2cccc(NCc3ccc(-c4nnn[n-]4)o3)c2n1 ZINC000822279647 607311859 /nfs/dbraw/zinc/31/18/59/607311859.db2.gz DUPTXMCITQQRPP-UHFFFAOYSA-N -1 1 306.329 2.928 20 0 DFADMM Cc1ccc2cccc(NCc3ccc(-c4nn[n-]n4)o3)c2n1 ZINC000822279647 607311860 /nfs/dbraw/zinc/31/18/60/607311860.db2.gz DUPTXMCITQQRPP-UHFFFAOYSA-N -1 1 306.329 2.928 20 0 DFADMM C[C@H](c1nc2ccccc2n1C(F)F)N1CC[C@@H](C(=O)[O-])C1 ZINC000246741956 597530920 /nfs/dbraw/zinc/53/09/20/597530920.db2.gz ZBUVCNVITRRWKC-NXEZZACHSA-N -1 1 309.316 2.899 20 0 DFADMM Cc1nn2c(CN3CCC(C(=O)[O-])CC3)c(C(C)C)nc2s1 ZINC000821216455 598121774 /nfs/dbraw/zinc/12/17/74/598121774.db2.gz BRYRUXMAVUBXFX-UHFFFAOYSA-N -1 1 322.434 2.519 20 0 DFADMM Fc1cccc(Oc2cccc(-c3nnco3)c2)c1-c1nnn[n-]1 ZINC000737662664 598237206 /nfs/dbraw/zinc/23/72/06/598237206.db2.gz CRDUKLMCQFFBON-UHFFFAOYSA-N -1 1 324.275 2.848 20 0 DFADMM Fc1cccc(Oc2cccc(-c3nnco3)c2)c1-c1nn[n-]n1 ZINC000737662664 598237209 /nfs/dbraw/zinc/23/72/09/598237209.db2.gz CRDUKLMCQFFBON-UHFFFAOYSA-N -1 1 324.275 2.848 20 0 DFADMM Clc1ccc(NCCc2cccs2)nc1-c1nnn[n-]1 ZINC000737574808 598275156 /nfs/dbraw/zinc/27/51/56/598275156.db2.gz PTOLNGFFBPZYMN-UHFFFAOYSA-N -1 1 306.782 2.631 20 0 DFADMM Clc1ccc(NCCc2cccs2)nc1-c1nn[n-]n1 ZINC000737574808 598275157 /nfs/dbraw/zinc/27/51/57/598275157.db2.gz PTOLNGFFBPZYMN-UHFFFAOYSA-N -1 1 306.782 2.631 20 0 DFADMM Cc1cc(Oc2nccnc2-c2nn[n-]n2)cc(C)c1Cl ZINC000737280978 598344131 /nfs/dbraw/zinc/34/41/31/598344131.db2.gz WKUSMEIZULXCRB-UHFFFAOYSA-N -1 1 302.725 2.719 20 0 DFADMM CCCCC1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC000736441340 598348211 /nfs/dbraw/zinc/34/82/11/598348211.db2.gz PVWQRLDYRJPWHK-UHFFFAOYSA-N -1 1 301.398 2.818 20 0 DFADMM CCCCC1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC000736441340 598348213 /nfs/dbraw/zinc/34/82/13/598348213.db2.gz PVWQRLDYRJPWHK-UHFFFAOYSA-N -1 1 301.398 2.818 20 0 DFADMM Cc1nc([C@@H](C)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cs1 ZINC000737469748 598580054 /nfs/dbraw/zinc/58/00/54/598580054.db2.gz CCXSVCIERQXMFW-ZCFIWIBFSA-N -1 1 321.797 2.853 20 0 DFADMM Cc1nc([C@@H](C)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cs1 ZINC000737469748 598580056 /nfs/dbraw/zinc/58/00/56/598580056.db2.gz CCXSVCIERQXMFW-ZCFIWIBFSA-N -1 1 321.797 2.853 20 0 DFADMM CCN(CCNc1cccc(-c2nnn[n-]2)n1)c1cccc(C)c1 ZINC000736537494 599396802 /nfs/dbraw/zinc/39/68/02/599396802.db2.gz UPOYSGLGPKBRPA-UHFFFAOYSA-N -1 1 323.404 2.509 20 0 DFADMM CCN(CCNc1cccc(-c2nn[n-]n2)n1)c1cccc(C)c1 ZINC000736537494 599396805 /nfs/dbraw/zinc/39/68/05/599396805.db2.gz UPOYSGLGPKBRPA-UHFFFAOYSA-N -1 1 323.404 2.509 20 0 DFADMM CN(Cc1nc2ccccc2s1)c1cccc(-c2nnn[n-]2)n1 ZINC000736830857 599398034 /nfs/dbraw/zinc/39/80/34/599398034.db2.gz ATOKRKDVUXCKQR-UHFFFAOYSA-N -1 1 323.385 2.508 20 0 DFADMM CN(Cc1nc2ccccc2s1)c1cccc(-c2nn[n-]n2)n1 ZINC000736830857 599398037 /nfs/dbraw/zinc/39/80/37/599398037.db2.gz ATOKRKDVUXCKQR-UHFFFAOYSA-N -1 1 323.385 2.508 20 0 DFADMM COc1ccc2c(c1)CCC[C@@H]2Nc1cccc(-c2nnn[n-]2)n1 ZINC000737115313 599419610 /nfs/dbraw/zinc/41/96/10/599419610.db2.gz NUFXDDQSBCNQBT-AWEZNQCLSA-N -1 1 322.372 2.760 20 0 DFADMM COc1ccc2c(c1)CCC[C@@H]2Nc1cccc(-c2nn[n-]n2)n1 ZINC000737115313 599419614 /nfs/dbraw/zinc/41/96/14/599419614.db2.gz NUFXDDQSBCNQBT-AWEZNQCLSA-N -1 1 322.372 2.760 20 0 DFADMM Fc1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1Cl ZINC000737649305 599424885 /nfs/dbraw/zinc/42/48/85/599424885.db2.gz NDUJIBJRORHMNQ-UHFFFAOYSA-N -1 1 304.716 2.666 20 0 DFADMM Fc1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1Cl ZINC000737649305 599424887 /nfs/dbraw/zinc/42/48/87/599424887.db2.gz NDUJIBJRORHMNQ-UHFFFAOYSA-N -1 1 304.716 2.666 20 0 DFADMM C[C@@H]1C[C@@H](c2ccccc2)CN1c1cccc(-c2nnn[n-]2)n1 ZINC000736238251 599437908 /nfs/dbraw/zinc/43/79/08/599437908.db2.gz YGWNOKZMLJFQQA-TZMCWYRMSA-N -1 1 306.373 2.644 20 0 DFADMM C[C@@H]1C[C@@H](c2ccccc2)CN1c1cccc(-c2nn[n-]n2)n1 ZINC000736238251 599437909 /nfs/dbraw/zinc/43/79/09/599437909.db2.gz YGWNOKZMLJFQQA-TZMCWYRMSA-N -1 1 306.373 2.644 20 0 DFADMM Fc1cccc(F)c1[C@H]1C[C@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000737661669 599439764 /nfs/dbraw/zinc/43/97/64/599439764.db2.gz OOXCFMIYSUPTLB-QPUJVOFHSA-N -1 1 314.299 2.508 20 0 DFADMM Fc1cccc(F)c1[C@H]1C[C@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000737661669 599439766 /nfs/dbraw/zinc/43/97/66/599439766.db2.gz OOXCFMIYSUPTLB-QPUJVOFHSA-N -1 1 314.299 2.508 20 0 DFADMM CCc1ccc([C@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)o1 ZINC000736690255 599440626 /nfs/dbraw/zinc/44/06/26/599440626.db2.gz ZFJKGRKUNOXNKP-CYBMUJFWSA-N -1 1 310.361 2.759 20 0 DFADMM CCc1ccc([C@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)o1 ZINC000736690255 599440628 /nfs/dbraw/zinc/44/06/28/599440628.db2.gz ZFJKGRKUNOXNKP-CYBMUJFWSA-N -1 1 310.361 2.759 20 0 DFADMM CN(Cc1cscn1)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821616723 599495276 /nfs/dbraw/zinc/49/52/76/599495276.db2.gz DXWBHCCQEYBENU-UHFFFAOYSA-N -1 1 323.385 2.508 20 0 DFADMM CN(Cc1cscn1)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821616723 599495277 /nfs/dbraw/zinc/49/52/77/599495277.db2.gz DXWBHCCQEYBENU-UHFFFAOYSA-N -1 1 323.385 2.508 20 0 DFADMM Cc1ccccc1[C@H]1C[C@H](C)N(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000737421461 599529510 /nfs/dbraw/zinc/52/95/10/599529510.db2.gz IWRNILIRFOPMAX-KBPBESRZSA-N -1 1 320.400 2.953 20 0 DFADMM Cc1ccccc1[C@H]1C[C@H](C)N(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000737421461 599529512 /nfs/dbraw/zinc/52/95/12/599529512.db2.gz IWRNILIRFOPMAX-KBPBESRZSA-N -1 1 320.400 2.953 20 0 DFADMM c1ccc2c(c1)CN(c1cc(-c3nnn[n-]3)nc3ccccc31)C2 ZINC000823798792 599543835 /nfs/dbraw/zinc/54/38/35/599543835.db2.gz YNMBYQLCMSMQJJ-UHFFFAOYSA-N -1 1 314.352 2.935 20 0 DFADMM c1ccc2c(c1)CN(c1cc(-c3nn[n-]n3)nc3ccccc31)C2 ZINC000823798792 599543837 /nfs/dbraw/zinc/54/38/37/599543837.db2.gz YNMBYQLCMSMQJJ-UHFFFAOYSA-N -1 1 314.352 2.935 20 0 DFADMM CSCC[C@@H](C)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821962513 599564148 /nfs/dbraw/zinc/56/41/48/599564148.db2.gz RCCJMMKZBZVWDT-SNVBAGLBSA-N -1 1 314.418 2.968 20 0 DFADMM CSCC[C@@H](C)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821962513 599564150 /nfs/dbraw/zinc/56/41/50/599564150.db2.gz RCCJMMKZBZVWDT-SNVBAGLBSA-N -1 1 314.418 2.968 20 0 DFADMM c1oc(-c2ccccc2)nc1CNc1cccc(-c2nnn[n-]2)n1 ZINC000823767754 599586547 /nfs/dbraw/zinc/58/65/47/599586547.db2.gz WRJYUHPJVWTPND-UHFFFAOYSA-N -1 1 319.328 2.529 20 0 DFADMM c1oc(-c2ccccc2)nc1CNc1cccc(-c2nn[n-]n2)n1 ZINC000823767754 599586549 /nfs/dbraw/zinc/58/65/49/599586549.db2.gz WRJYUHPJVWTPND-UHFFFAOYSA-N -1 1 319.328 2.529 20 0 DFADMM CC(C)C[C@@H]1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000820067072 599686486 /nfs/dbraw/zinc/68/64/86/599686486.db2.gz BWAURYOJKOONJZ-LBPRGKRZSA-N -1 1 323.404 2.682 20 0 DFADMM CC(C)C[C@@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000820067072 599686487 /nfs/dbraw/zinc/68/64/87/599686487.db2.gz BWAURYOJKOONJZ-LBPRGKRZSA-N -1 1 323.404 2.682 20 0 DFADMM CO[C@@]1(C)C[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1(C)C ZINC000821678987 599688316 /nfs/dbraw/zinc/68/83/16/599688316.db2.gz VKZQKSFIAQGIAR-XPTSAGLGSA-N -1 1 322.800 2.531 20 0 DFADMM CO[C@@]1(C)C[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1(C)C ZINC000821678987 599688317 /nfs/dbraw/zinc/68/83/17/599688317.db2.gz VKZQKSFIAQGIAR-XPTSAGLGSA-N -1 1 322.800 2.531 20 0 DFADMM Cc1nc(C)c(-c2nn[n-]n2)c(SC/C(Cl)=C\Cl)n1 ZINC000822427807 599697537 /nfs/dbraw/zinc/69/75/37/599697537.db2.gz VPNTYVVWOQAOGZ-XVNBXDOJSA-N -1 1 317.205 2.685 20 0 DFADMM C[C@H](c1nnc(-c2ccccc2)o1)N1CCC(C(=O)[O-])CC1 ZINC000736727059 599966236 /nfs/dbraw/zinc/96/62/36/599966236.db2.gz BBWQAHZUGPBEMJ-LLVKDONJSA-N -1 1 301.346 2.594 20 0 DFADMM O=C([O-])[C@@H]1CC12CCN(Cn1cc(-c3ccccc3)cn1)CC2 ZINC000739536072 600280155 /nfs/dbraw/zinc/28/01/55/600280155.db2.gz CFZGKWIOOHGROA-INIZCTEOSA-N -1 1 311.385 2.694 20 0 DFADMM O=C([O-])[C@H]1CC12CCN(Cn1ccc(-c3cccs3)n1)CC2 ZINC000739536188 600281134 /nfs/dbraw/zinc/28/11/34/600281134.db2.gz GBWBZLFNCVJTKZ-GFCCVEGCSA-N -1 1 317.414 2.756 20 0 DFADMM CCCCCC[C@H](C)NC(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736982849 600295324 /nfs/dbraw/zinc/29/53/24/600295324.db2.gz DEMLBGJHDCUZLF-GJZGRUSLSA-N -1 1 324.465 2.648 20 0 DFADMM Cc1cc(-c2noc([C@@H](C)N(C)C[C@@H](C)C(=O)[O-])n2)ccc1F ZINC000738314199 600376075 /nfs/dbraw/zinc/37/60/75/600376075.db2.gz LDHSIBUVYWGGDB-GHMZBOCLSA-N -1 1 321.352 2.898 20 0 DFADMM CCN1C(=O)N=NC1S[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737296374 600378046 /nfs/dbraw/zinc/37/80/46/600378046.db2.gz ZDFBCKISBIOLPB-SECBINFHSA-N -1 1 313.766 2.575 20 0 DFADMM C[C@@H]1SCCN(Cn2ncc3cc(C(=O)[O-])ccc32)[C@H]1C ZINC000736837287 600488786 /nfs/dbraw/zinc/48/87/86/600488786.db2.gz LZGHMWYJTVZLKO-QWRGUYRKSA-N -1 1 305.403 2.518 20 0 DFADMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC000736717145 600501011 /nfs/dbraw/zinc/50/10/11/600501011.db2.gz LGFUTOVAOLSDAT-QWHCGFSZSA-N -1 1 320.389 2.516 20 0 DFADMM COCCN(CCC(=O)[O-])Cc1nc(-c2cccs2)oc1C ZINC000737794979 600641132 /nfs/dbraw/zinc/64/11/32/600641132.db2.gz UYHBLQDSWVAYHD-UHFFFAOYSA-N -1 1 324.402 2.635 20 0 DFADMM CC(C)[C@H]1CN(Cn2ncc3cc(C(=O)[O-])ccc32)CCS1 ZINC000826741244 600717325 /nfs/dbraw/zinc/71/73/25/600717325.db2.gz AGFNZCWNHGGKSE-OAHLLOKOSA-N -1 1 319.430 2.765 20 0 DFADMM Cc1nc2ccc(NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)cc2[nH]1 ZINC000320637434 600875855 /nfs/dbraw/zinc/87/58/55/600875855.db2.gz CYRMFRJBSFBQQA-GHMZBOCLSA-N -1 1 301.346 2.701 20 0 DFADMM CCN(CC)C(=O)C1(NCc2ccc(C(=O)[O-])o2)CCCCC1 ZINC000737078083 600957406 /nfs/dbraw/zinc/95/74/06/600957406.db2.gz IJTJITFASXRPEV-UHFFFAOYSA-N -1 1 322.405 2.639 20 0 DFADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCC[C@@H]2CCC[C@@H]21 ZINC000832917329 601019627 /nfs/dbraw/zinc/01/96/27/601019627.db2.gz WSGRHVZKCNWROY-BBRMVZONSA-N -1 1 316.401 2.896 20 0 DFADMM Cc1ccc(NC(=O)c2cn[nH]c2-c2ccncc2)cc1C(=O)[O-] ZINC000832948052 601109624 /nfs/dbraw/zinc/10/96/24/601109624.db2.gz PEWUQEYYKLFPTP-UHFFFAOYSA-N -1 1 322.324 2.731 20 0 DFADMM CC(C)Oc1ncccc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000820178485 607491971 /nfs/dbraw/zinc/49/19/71/607491971.db2.gz RIFGGOUIXFSKIH-UHFFFAOYSA-N -1 1 316.390 2.723 20 0 DFADMM O=C([O-])[C@@H](c1ccc(Cl)cc1Cl)N1CCC[C@H](CO)C1 ZINC000833171780 601154065 /nfs/dbraw/zinc/15/40/65/601154065.db2.gz PURYEHUTANIIHA-TVQRCGJNSA-N -1 1 318.200 2.823 20 0 DFADMM COc1ccccc1CN(C/C=C(\C)C(=O)[O-])C[C@@H]1CCCO1 ZINC000832614010 601168319 /nfs/dbraw/zinc/16/83/19/601168319.db2.gz VPOXIXVBHOSREG-IDJPSDCMSA-N -1 1 319.401 2.707 20 0 DFADMM Cc1ccnc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1 ZINC000314392937 601359327 /nfs/dbraw/zinc/35/93/27/601359327.db2.gz WCTCFGQOOHCPAI-UHFFFAOYSA-N -1 1 320.370 2.506 20 0 DFADMM Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)n1 ZINC000314095500 601359638 /nfs/dbraw/zinc/35/96/38/601359638.db2.gz YKZMODPLELNKFZ-UHFFFAOYSA-N -1 1 320.370 2.506 20 0 DFADMM CCc1oc(C(=O)[O-])cc1CN1CCC[C@H](n2cc(C)cn2)C1 ZINC000830369305 601416720 /nfs/dbraw/zinc/41/67/20/601416720.db2.gz LZMYFQFLMJWCDW-AWEZNQCLSA-N -1 1 317.389 2.882 20 0 DFADMM O=C([O-])c1sccc1NC(=O)CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000833106119 601425701 /nfs/dbraw/zinc/42/57/01/601425701.db2.gz NTLPACSAUURRNK-PHIMTYICSA-N -1 1 308.403 2.507 20 0 DFADMM C[C@@H](c1nnc(-c2cccs2)o1)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828423658 601517024 /nfs/dbraw/zinc/51/70/24/601517024.db2.gz LUAQRUOTQJJTCO-KXUCPTDWSA-N -1 1 307.375 2.512 20 0 DFADMM O=C([O-])CCC(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000833223864 601518157 /nfs/dbraw/zinc/51/81/57/601518157.db2.gz WYYDZHQLWNRENS-LBPRGKRZSA-N -1 1 321.764 2.745 20 0 DFADMM C[C@@H]1CN(Cc2cc(F)ccc2Br)C[C@@H]1C(=O)[O-] ZINC000111254679 601524572 /nfs/dbraw/zinc/52/45/72/601524572.db2.gz LQTVDQMTTVLOBX-KCJUWKMLSA-N -1 1 316.170 2.741 20 0 DFADMM Cc1ccc(NC(=O)[C@H](C)N2C[C@@H](C)[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC000832942726 601536083 /nfs/dbraw/zinc/53/60/83/601536083.db2.gz KAIAVQNOFALVRJ-GRYCIOLGSA-N -1 1 324.808 2.628 20 0 DFADMM CCCCNC(=O)C1(NCc2ccoc2C(=O)[O-])CCCCC1 ZINC000829394912 601598434 /nfs/dbraw/zinc/59/84/34/601598434.db2.gz BGCMDCMGXVKDOE-UHFFFAOYSA-N -1 1 322.405 2.687 20 0 DFADMM Cc1ccc(/C=C\S(=O)(=O)Nc2csnc2C(=O)[O-])cc1 ZINC000832930652 601602755 /nfs/dbraw/zinc/60/27/55/601602755.db2.gz YYRUEVNQTKWNMH-SREVYHEPSA-N -1 1 324.383 2.562 20 0 DFADMM Cc1ccc(/C=C/S(=O)(=O)Nc2csnc2C(=O)[O-])cc1 ZINC000832930654 601602939 /nfs/dbraw/zinc/60/29/39/601602939.db2.gz YYRUEVNQTKWNMH-VOTSOKGWSA-N -1 1 324.383 2.562 20 0 DFADMM COC(=O)c1coc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000831467302 601653636 /nfs/dbraw/zinc/65/36/36/601653636.db2.gz WABOGQUVNLPTIX-ABAIWWIYSA-N -1 1 317.341 2.618 20 0 DFADMM COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccsc1C(=O)[O-] ZINC000831099416 601808114 /nfs/dbraw/zinc/80/81/14/601808114.db2.gz GKPDZAHURACZBG-DRZSPHRISA-N -1 1 323.414 2.752 20 0 DFADMM CC(C)[C@H](NCC(=O)Nc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000827092127 601822708 /nfs/dbraw/zinc/82/27/08/601822708.db2.gz WBJFYQKVXITPDI-HNNXBMFYSA-N -1 1 306.406 2.621 20 0 DFADMM O=C([O-])CCC1CCN(C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000833224430 601842435 /nfs/dbraw/zinc/84/24/35/601842435.db2.gz IQMLSJKDERSBNB-CQSZACIVSA-N -1 1 313.344 2.575 20 0 DFADMM C[C@@H](c1nnc(-c2cccs2)o1)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000827966399 601917989 /nfs/dbraw/zinc/91/79/89/601917989.db2.gz PRSGPULBKFQSJP-LKFCYVNXSA-N -1 1 307.375 2.656 20 0 DFADMM CN(CCOc1cccc(C(=O)[O-])c1)Cc1cc(Cl)cn1C ZINC000830792607 601966143 /nfs/dbraw/zinc/96/61/43/601966143.db2.gz XDERKANGXYSVDU-UHFFFAOYSA-N -1 1 322.792 2.888 20 0 DFADMM Cc1sc(C(=O)[O-])cc1COC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000833030731 602016911 /nfs/dbraw/zinc/01/69/11/602016911.db2.gz BLCLDTZHPMUBLX-JTQLQIEISA-N -1 1 320.370 2.641 20 0 DFADMM Fc1ccc(OCc2ccnc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000826376348 607540881 /nfs/dbraw/zinc/54/08/81/607540881.db2.gz ZKCXKFJMMLUWME-UHFFFAOYSA-N -1 1 305.700 2.633 20 0 DFADMM Fc1ccc(OCc2ccnc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000826376348 607540883 /nfs/dbraw/zinc/54/08/83/607540883.db2.gz ZKCXKFJMMLUWME-UHFFFAOYSA-N -1 1 305.700 2.633 20 0 DFADMM COc1ccc([C@@H](NCCNC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000739895527 602053056 /nfs/dbraw/zinc/05/30/56/602053056.db2.gz VFWNPXMBYPAZOJ-INIZCTEOSA-N -1 1 318.348 2.781 20 0 DFADMM C[C@@H](CC(=O)[O-])C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000827311505 602158299 /nfs/dbraw/zinc/15/82/99/602158299.db2.gz SUKRMOYDHNBSFA-JTQLQIEISA-N -1 1 324.340 2.674 20 0 DFADMM COc1cc(OC)cc([C@H](NCc2ccccc2F)C(=O)[O-])c1 ZINC000832058265 602164903 /nfs/dbraw/zinc/16/49/03/602164903.db2.gz XGPBRLZSDWIJGM-INIZCTEOSA-N -1 1 319.332 2.758 20 0 DFADMM O=C([O-])[C@@H]1C[C@@H](O)CN1Cc1ccc(C2CCCCC2)cc1 ZINC000833291415 602204536 /nfs/dbraw/zinc/20/45/36/602204536.db2.gz QBGFNNIQMNMBPQ-SJORKVTESA-N -1 1 303.402 2.754 20 0 DFADMM CCc1cccc(C)c1NC(=O)CN[C@H](C(=O)[O-])C(C)(C)C ZINC000830259711 602224830 /nfs/dbraw/zinc/22/48/30/602224830.db2.gz FJFRBTNAYOSMAY-OAHLLOKOSA-N -1 1 306.406 2.585 20 0 DFADMM CC(C)N(Cc1ccccc1)C(=O)CN[C@H](C(=O)[O-])C(C)(C)C ZINC000826951355 602226540 /nfs/dbraw/zinc/22/65/40/602226540.db2.gz HFKPTBCROALHBA-MRXNPFEDSA-N -1 1 320.433 2.513 20 0 DFADMM COc1ccc(Cl)cc1CN1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739906671 602537087 /nfs/dbraw/zinc/53/70/87/602537087.db2.gz KNQGXGBQMWZRBF-LLVKDONJSA-N -1 1 312.797 2.780 20 0 DFADMM COc1cc(CN2CCC[C@@H](N(C)C(=O)[O-])C2)ccc1SC ZINC000739860058 602735507 /nfs/dbraw/zinc/73/55/07/602735507.db2.gz NRPLOIIYJJDUFV-CYBMUJFWSA-N -1 1 324.446 2.991 20 0 DFADMM C[C@H](CC(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1)NC(=O)[O-] ZINC000824693858 602782859 /nfs/dbraw/zinc/78/28/59/602782859.db2.gz DFKMMXVXHBSOHX-SECBINFHSA-N -1 1 316.361 2.815 20 0 DFADMM COc1c(Cl)cc(Cl)cc1CN[C@H]1CCN(C(=O)[O-])C1 ZINC000739849210 602879357 /nfs/dbraw/zinc/87/93/57/602879357.db2.gz RPMAZFXMIQKKLS-JTQLQIEISA-N -1 1 319.188 2.844 20 0 DFADMM CCc1[nH]ncc1C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000827551922 603187152 /nfs/dbraw/zinc/18/71/52/603187152.db2.gz RGZCJBFKZLBJSP-VIFPVBQESA-N -1 1 302.334 2.553 20 0 DFADMM Cc1ccc(-c2cc(CN(C)[C@@H]3CCN(C(=O)[O-])C3)on2)cc1 ZINC000830148705 603487027 /nfs/dbraw/zinc/48/70/27/603487027.db2.gz GOMLDQNQNWYSBX-CQSZACIVSA-N -1 1 315.373 2.834 20 0 DFADMM COc1ccc(C2(NCc3ccc(NC(=O)[O-])nc3)CC2)cc1 ZINC000829332031 603552906 /nfs/dbraw/zinc/55/29/06/603552906.db2.gz OCILMMLKLUELLN-UHFFFAOYSA-N -1 1 313.357 2.959 20 0 DFADMM COc1cc(CN2CC[C@H](N(C)C(=O)[O-])C2)ccc1SC ZINC000829116774 603818380 /nfs/dbraw/zinc/81/83/80/603818380.db2.gz XTTGIUKHIZYKKS-LBPRGKRZSA-N -1 1 310.419 2.601 20 0 DFADMM C[C@@H](c1ccccn1)N1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000825645135 604235010 /nfs/dbraw/zinc/23/50/10/604235010.db2.gz LUWSIUIQOCHNJO-ZDUSSCGKSA-N -1 1 303.406 2.997 20 0 DFADMM CC(C)[C@H](C(=O)Nc1cc(C(=O)[O-])cs1)N1CCCCC1 ZINC000826676994 604312251 /nfs/dbraw/zinc/31/22/51/604312251.db2.gz NKIXJFOTFXXAGF-CYBMUJFWSA-N -1 1 310.419 2.895 20 0 DFADMM CN(Cc1ccn(C2CCCC2)n1)C1CCN(C(=O)[O-])CC1 ZINC000828407152 604365789 /nfs/dbraw/zinc/36/57/89/604365789.db2.gz QYNRRSPACDGZOM-UHFFFAOYSA-N -1 1 306.410 2.572 20 0 DFADMM O=C([O-])c1cccc(CN2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000821549007 604369916 /nfs/dbraw/zinc/36/99/16/604369916.db2.gz CQUMQXXWJKOTIB-CYBMUJFWSA-N -1 1 317.307 2.520 20 0 DFADMM CC(C)OC[C@@H](C(=O)[O-])N(C)CCOc1ccc(Cl)cc1 ZINC000827016931 604404465 /nfs/dbraw/zinc/40/44/65/604404465.db2.gz UBZLFXJEKNKYHJ-AWEZNQCLSA-N -1 1 315.797 2.529 20 0 DFADMM O=C([O-])N1CCC[C@H]1CNCc1csc(-c2ccco2)n1 ZINC000832018782 604417564 /nfs/dbraw/zinc/41/75/64/604417564.db2.gz QRTVKIAVYUEZMF-NSHDSACASA-N -1 1 307.375 2.635 20 0 DFADMM CC(C)(C)n1cc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])cn1 ZINC000826529423 604466406 /nfs/dbraw/zinc/46/64/06/604466406.db2.gz HARVHOUPQYMHPE-INIZCTEOSA-N -1 1 313.401 2.650 20 0 DFADMM C/C(=C/CN1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1)C(=O)[O-] ZINC000833382121 604473995 /nfs/dbraw/zinc/47/39/95/604473995.db2.gz GZKCJPWFIGOBID-FWLQQBITSA-N -1 1 312.373 2.640 20 0 DFADMM CCc1oc(C(=O)[O-])cc1CNC(C)(C)C(=O)NCC(C)(C)C ZINC000833679223 604483671 /nfs/dbraw/zinc/48/36/71/604483671.db2.gz WVSNCCBFMOXWRE-UHFFFAOYSA-N -1 1 324.421 2.571 20 0 DFADMM CC(C)N(C)CC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833496187 604576421 /nfs/dbraw/zinc/57/64/21/604576421.db2.gz WSGHPCHUMUGBJT-UHFFFAOYSA-N -1 1 310.419 2.532 20 0 DFADMM C[C@H](Oc1ccc(CN2CCO[C@H]3CCCC[C@H]32)cc1)C(=O)[O-] ZINC000833542333 604583840 /nfs/dbraw/zinc/58/38/40/604583840.db2.gz UJFJXFBWUOQAEQ-XKQJLSEDSA-N -1 1 319.401 2.682 20 0 DFADMM C[C@@H](Oc1ccc(CN2CCOC(C)(C)[C@@H]2C)cc1)C(=O)[O-] ZINC000833538586 604655114 /nfs/dbraw/zinc/65/51/14/604655114.db2.gz DMZVJSGFWVTIRD-OLZOCXBDSA-N -1 1 307.390 2.538 20 0 DFADMM C[C@H]1CN(Cc2ccc(F)c(C(F)(F)F)c2)C[C@H]1C(=O)[O-] ZINC000251685993 604668265 /nfs/dbraw/zinc/66/82/65/604668265.db2.gz IBGDGYZXBCSGIG-WCBMZHEXSA-N -1 1 305.271 2.997 20 0 DFADMM O=C([O-])C[C@@H](NC(=O)c1cccc2nc[nH]c21)c1cccs1 ZINC000833772599 604868095 /nfs/dbraw/zinc/86/80/95/604868095.db2.gz DSSMJMQQHORFPM-LLVKDONJSA-N -1 1 315.354 2.570 20 0 DFADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)OCc2ccccc2)C1 ZINC000833420902 604935290 /nfs/dbraw/zinc/93/52/90/604935290.db2.gz BVXVXOGPXQUKBM-OAHLLOKOSA-N -1 1 319.401 2.553 20 0 DFADMM C[C@@H](NCCN(C)C(=O)[O-])c1sccc1Br ZINC000825495932 604952473 /nfs/dbraw/zinc/95/24/73/604952473.db2.gz KXRDMZVBGSDFQK-SSDOTTSWSA-N -1 1 307.213 2.771 20 0 DFADMM COc1ccc(F)cc1[C@H](C)N[C@H](C(=O)[O-])c1cccnc1 ZINC000832378407 604973223 /nfs/dbraw/zinc/97/32/23/604973223.db2.gz MMPHUNMBJYNJOQ-BONVTDFDSA-N -1 1 304.321 2.706 20 0 DFADMM O=C([O-])C[C@H]1CCCN1CN1C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000833211123 604982531 /nfs/dbraw/zinc/98/25/31/604982531.db2.gz SSKAELXOLPJSIP-KGLIPLIRSA-N -1 1 322.792 2.510 20 0 DFADMM COc1ccc(OC)c([C@H](C)N[C@@H](C(=O)[O-])c2cccnc2)c1 ZINC000832431101 604987317 /nfs/dbraw/zinc/98/73/17/604987317.db2.gz LGTCZLATZCIDEL-MEDUHNTESA-N -1 1 316.357 2.575 20 0 DFADMM C[C@@]1(NCc2noc(-c3ccsc3)n2)CCCC[C@H]1C(=O)[O-] ZINC000833569224 605060046 /nfs/dbraw/zinc/06/00/46/605060046.db2.gz KNMIVXVUXMURIA-XHDPSFHLSA-N -1 1 321.402 2.921 20 0 DFADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C=C1CCC(C)(C)CC1 ZINC000833625764 605102435 /nfs/dbraw/zinc/10/24/35/605102435.db2.gz XXHANEILEYWZMA-AWEZNQCLSA-N -1 1 322.449 2.520 20 0 DFADMM C[C@@H](NCCN(C(=O)[O-])C1CCCCCC1)c1cnccn1 ZINC000825495606 605114916 /nfs/dbraw/zinc/11/49/16/605114916.db2.gz HQBBGYWDFCPZSH-CYBMUJFWSA-N -1 1 306.410 2.830 20 0 DFADMM CC(C)(C)C[C@H](Sc1nc(-c2ccccn2)n[nH]1)C(=O)[O-] ZINC000833431003 605155207 /nfs/dbraw/zinc/15/52/07/605155207.db2.gz ZXJYVQBCWUURFH-JTQLQIEISA-N -1 1 306.391 2.848 20 0 DFADMM CCN1C[C@H](C)N(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)C[C@@H]1C ZINC000833659003 605159755 /nfs/dbraw/zinc/15/97/55/605159755.db2.gz XMKGXLDIRSRCPA-STQMWFEESA-N -1 1 319.405 2.640 20 0 DFADMM CC(C)[C@H]1CN(C)CCN1C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000833471509 605167059 /nfs/dbraw/zinc/16/70/59/605167059.db2.gz LRNFKXYJVBZODI-CQSZACIVSA-N -1 1 320.393 2.580 20 0 DFADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCc3c(Cl)cccc3C2)O1 ZINC000833576738 605339816 /nfs/dbraw/zinc/33/98/16/605339816.db2.gz DCEDEORMDXYUOG-LBPRGKRZSA-N -1 1 307.777 2.846 20 0 DFADMM CC1=C(C(=O)[O-])C[C@H](CN2CCc3cccc(F)c3[C@H]2C)O1 ZINC000833577476 605340849 /nfs/dbraw/zinc/34/08/49/605340849.db2.gz HWCDYTAUKDPMKW-ZWNOBZJWSA-N -1 1 305.349 2.892 20 0 DFADMM CC(C)N1CCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC000833498357 605369144 /nfs/dbraw/zinc/36/91/44/605369144.db2.gz GKROESCSLBBFGG-AWEZNQCLSA-N -1 1 314.788 2.631 20 0 DFADMM O=C([O-])N[C@@H]1CCC[C@H]2CN(Cc3ccc(Cl)nc3)C[C@H]21 ZINC000834182669 605458514 /nfs/dbraw/zinc/45/85/14/605458514.db2.gz NVQKVHWFQYKTJL-YNEHKIRRSA-N -1 1 309.797 2.603 20 0 DFADMM CC(C)(C)Oc1cccc(CN2CCC[C@H](CNC(=O)[O-])C2)n1 ZINC000833789945 605516314 /nfs/dbraw/zinc/51/63/14/605516314.db2.gz FZMLQXZPGMRCBD-CYBMUJFWSA-N -1 1 321.421 2.739 20 0 DFADMM O=C([O-])N1CCC[C@H]1CCC(=O)Nc1cccc(Cl)c1O ZINC000833997414 605539216 /nfs/dbraw/zinc/53/92/16/605539216.db2.gz YCXZRLIRVBDEMF-VIFPVBQESA-N -1 1 312.753 2.907 20 0 DFADMM O=C([O-])Nc1cccc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000834268953 605597699 /nfs/dbraw/zinc/59/76/99/605597699.db2.gz NDVPXFBDCBDKQC-RYUDHWBXSA-N -1 1 318.295 2.664 20 0 DFADMM O=C([O-])Nc1ccc(C(=O)Nc2ccc3nc[nH]c3c2)c(O)c1 ZINC000834256862 605645936 /nfs/dbraw/zinc/64/59/36/605645936.db2.gz SHXWDHKXCYEGRN-UHFFFAOYSA-N -1 1 312.285 2.611 20 0 DFADMM O=C([O-])N1CCC[C@H](N[C@@H](c2ccccc2)c2ccccn2)C1 ZINC000834098280 605648755 /nfs/dbraw/zinc/64/87/55/605648755.db2.gz IYWGFCNYQBIPOS-RDJZCZTQSA-N -1 1 311.385 2.903 20 0 DFADMM C[C@H]1C[C@H](CNC(=O)[O-])CN1Cc1ccc(Cl)c(F)c1 ZINC000833834747 605683672 /nfs/dbraw/zinc/68/36/72/605683672.db2.gz QQMABKVXHWHJQY-GXSJLCMTSA-N -1 1 300.761 2.957 20 0 DFADMM O=C([O-])N[C@@H]1C[C@@H](NCc2cccc(F)n2)c2ccccc21 ZINC000834159484 605808682 /nfs/dbraw/zinc/80/86/82/605808682.db2.gz UDRLFDASAXLZKF-ZIAGYGMSSA-N -1 1 301.321 2.764 20 0 DFADMM O=C(OC/C=C/c1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823400605 606135935 /nfs/dbraw/zinc/13/59/35/606135935.db2.gz HNXRDPUIJDUKTB-QPJJXVBHSA-N -1 1 312.354 2.798 20 0 DFADMM O=C(OC/C=C/c1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823400605 606135936 /nfs/dbraw/zinc/13/59/36/606135936.db2.gz HNXRDPUIJDUKTB-QPJJXVBHSA-N -1 1 312.354 2.798 20 0 DFADMM C[C@@H]1c2ccccc2CN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820827896 606137451 /nfs/dbraw/zinc/13/74/51/606137451.db2.gz YQOIFZZUWLBYDI-SECBINFHSA-N -1 1 312.764 2.996 20 0 DFADMM C[C@@H]1c2ccccc2CN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820827896 606137452 /nfs/dbraw/zinc/13/74/52/606137452.db2.gz YQOIFZZUWLBYDI-SECBINFHSA-N -1 1 312.764 2.996 20 0 DFADMM CCc1ccccc1OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821497549 606176488 /nfs/dbraw/zinc/17/64/88/606176488.db2.gz VUEMPDDVCOKGHB-UHFFFAOYSA-N -1 1 300.343 2.710 20 0 DFADMM CCc1ccccc1OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821497549 606176489 /nfs/dbraw/zinc/17/64/89/606176489.db2.gz VUEMPDDVCOKGHB-UHFFFAOYSA-N -1 1 300.343 2.710 20 0 DFADMM C[C@H]1CCCC[C@H]1CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820698987 606295270 /nfs/dbraw/zinc/29/52/70/606295270.db2.gz XEXHTERDUHSOPJ-QWRGUYRKSA-N -1 1 315.377 2.727 20 0 DFADMM CCC(CC)N(CC(C)C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820898243 606325046 /nfs/dbraw/zinc/32/50/46/606325046.db2.gz WZNUPNSUBCMSNY-UHFFFAOYSA-N -1 1 316.409 2.549 20 0 DFADMM CCC(CC)N(CC(C)C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820898243 606325047 /nfs/dbraw/zinc/32/50/47/606325047.db2.gz WZNUPNSUBCMSNY-UHFFFAOYSA-N -1 1 316.409 2.549 20 0 DFADMM Fc1cccc(C[C@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)c1 ZINC000822786702 606399945 /nfs/dbraw/zinc/39/99/45/606399945.db2.gz NDUKHDAALYGEFO-CQSZACIVSA-N -1 1 324.363 2.612 20 0 DFADMM Fc1cccc(C[C@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)c1 ZINC000822786702 606399947 /nfs/dbraw/zinc/39/99/47/606399947.db2.gz NDUKHDAALYGEFO-CQSZACIVSA-N -1 1 324.363 2.612 20 0 DFADMM CCN(Cc1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)n1 ZINC000821222092 606454942 /nfs/dbraw/zinc/45/49/42/606454942.db2.gz OLLGPRNYXDISFB-UHFFFAOYSA-N -1 1 314.780 2.942 20 0 DFADMM CCN(Cc1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)n1 ZINC000821222092 606454943 /nfs/dbraw/zinc/45/49/43/606454943.db2.gz OLLGPRNYXDISFB-UHFFFAOYSA-N -1 1 314.780 2.942 20 0 DFADMM Oc1ccc(Sc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000823733448 606458135 /nfs/dbraw/zinc/45/81/35/606458135.db2.gz XERIDBKIWHWLGO-UHFFFAOYSA-N -1 1 305.750 2.772 20 0 DFADMM Oc1ccc(Sc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000823733448 606458136 /nfs/dbraw/zinc/45/81/36/606458136.db2.gz XERIDBKIWHWLGO-UHFFFAOYSA-N -1 1 305.750 2.772 20 0 DFADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)c1ccncc1 ZINC000820280455 606476620 /nfs/dbraw/zinc/47/66/20/606476620.db2.gz GUAKOPOLMRNFKQ-ZETCQYMHSA-N -1 1 321.797 2.587 20 0 DFADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)c1ccncc1 ZINC000820280455 606476621 /nfs/dbraw/zinc/47/66/21/606476621.db2.gz GUAKOPOLMRNFKQ-ZETCQYMHSA-N -1 1 321.797 2.587 20 0 DFADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)s1)c1cccc(C)c1 ZINC000821161158 606503467 /nfs/dbraw/zinc/50/34/67/606503467.db2.gz VMSMNFKWRFFAGD-UHFFFAOYSA-N -1 1 313.386 2.903 20 0 DFADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)s1)c1cccc(C)c1 ZINC000821161158 606503469 /nfs/dbraw/zinc/50/34/69/606503469.db2.gz VMSMNFKWRFFAGD-UHFFFAOYSA-N -1 1 313.386 2.903 20 0 DFADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(C)cc1 ZINC000821161131 606503619 /nfs/dbraw/zinc/50/36/19/606503619.db2.gz VGILJBMWOVSIHO-UHFFFAOYSA-N -1 1 313.386 2.903 20 0 DFADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(C)cc1 ZINC000821161131 606503620 /nfs/dbraw/zinc/50/36/20/606503620.db2.gz VGILJBMWOVSIHO-UHFFFAOYSA-N -1 1 313.386 2.903 20 0 DFADMM CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000820920270 606503629 /nfs/dbraw/zinc/50/36/29/606503629.db2.gz OMQHTSMKCRPTHJ-LLVKDONJSA-N -1 1 313.386 2.809 20 0 DFADMM CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000820920270 606503631 /nfs/dbraw/zinc/50/36/31/606503631.db2.gz OMQHTSMKCRPTHJ-LLVKDONJSA-N -1 1 313.386 2.809 20 0 DFADMM CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820980152 606509792 /nfs/dbraw/zinc/50/97/92/606509792.db2.gz KSQSEOYKBVOAMU-UWVGGRQHSA-N -1 1 305.407 2.627 20 0 DFADMM CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820980152 606509793 /nfs/dbraw/zinc/50/97/93/606509793.db2.gz KSQSEOYKBVOAMU-UWVGGRQHSA-N -1 1 305.407 2.627 20 0 DFADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)c2ccccc21 ZINC000820742182 606511325 /nfs/dbraw/zinc/51/13/25/606511325.db2.gz HXEJVWJWYUOCIM-VIFPVBQESA-N -1 1 311.370 2.692 20 0 DFADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)c2ccccc21 ZINC000820742182 606511327 /nfs/dbraw/zinc/51/13/27/606511327.db2.gz HXEJVWJWYUOCIM-VIFPVBQESA-N -1 1 311.370 2.692 20 0 DFADMM CN(CC1CCCCC1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821596706 606522654 /nfs/dbraw/zinc/52/26/54/606522654.db2.gz RZAWZOVWVFOQDX-UHFFFAOYSA-N -1 1 305.407 2.581 20 0 DFADMM CN(CC1CCCCC1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821596706 606522653 /nfs/dbraw/zinc/52/26/53/606522653.db2.gz RZAWZOVWVFOQDX-UHFFFAOYSA-N -1 1 305.407 2.581 20 0 DFADMM C[C@H]1CCC[C@@H](CCNC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820697375 606564785 /nfs/dbraw/zinc/56/47/85/606564785.db2.gz GIXLYJHPFJETQI-QWRGUYRKSA-N -1 1 319.434 2.874 20 0 DFADMM C[C@H]1CCC[C@@H](CCNC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820697375 606564787 /nfs/dbraw/zinc/56/47/87/606564787.db2.gz GIXLYJHPFJETQI-QWRGUYRKSA-N -1 1 319.434 2.874 20 0 DFADMM CC[C@H]1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820972375 606571090 /nfs/dbraw/zinc/57/10/90/606571090.db2.gz NUKXOTBFTGDMTL-VHSXEESVSA-N -1 1 305.407 2.627 20 0 DFADMM CC[C@H]1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820972375 606571092 /nfs/dbraw/zinc/57/10/92/606571092.db2.gz NUKXOTBFTGDMTL-VHSXEESVSA-N -1 1 305.407 2.627 20 0 DFADMM C[C@@H]1CCC[C@@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820696877 606572518 /nfs/dbraw/zinc/57/25/18/606572518.db2.gz CQHCCZPBUVEHSX-NXEZZACHSA-N -1 1 305.407 2.579 20 0 DFADMM C[C@@H]1CCC[C@@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820696877 606572520 /nfs/dbraw/zinc/57/25/20/606572520.db2.gz CQHCCZPBUVEHSX-NXEZZACHSA-N -1 1 305.407 2.579 20 0 DFADMM CC[C@@]1(C)CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820951399 606577282 /nfs/dbraw/zinc/57/72/82/606577282.db2.gz ZQTGIWGEMCSNEB-AWEZNQCLSA-N -1 1 305.407 2.581 20 0 DFADMM CC[C@@]1(C)CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820951399 606577284 /nfs/dbraw/zinc/57/72/84/606577284.db2.gz ZQTGIWGEMCSNEB-AWEZNQCLSA-N -1 1 305.407 2.581 20 0 DFADMM CCC[C@]1(C)CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821027006 606579196 /nfs/dbraw/zinc/57/91/96/606579196.db2.gz JOWWTGMGRYRZPX-OAHLLOKOSA-N -1 1 319.434 2.971 20 0 DFADMM CCC[C@]1(C)CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821027006 606579197 /nfs/dbraw/zinc/57/91/97/606579197.db2.gz JOWWTGMGRYRZPX-OAHLLOKOSA-N -1 1 319.434 2.971 20 0 DFADMM FC(F)COc1ccccc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000822732874 606796885 /nfs/dbraw/zinc/79/68/85/606796885.db2.gz NIQPXHJMBUBQNZ-UHFFFAOYSA-N -1 1 321.287 2.716 20 0 DFADMM FC(F)COc1ccccc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000822732874 606796887 /nfs/dbraw/zinc/79/68/87/606796887.db2.gz NIQPXHJMBUBQNZ-UHFFFAOYSA-N -1 1 321.287 2.716 20 0 DFADMM CCCC1(CNc2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000821034080 607117201 /nfs/dbraw/zinc/11/72/01/607117201.db2.gz ILYQMDSCWOVNAX-UHFFFAOYSA-N -1 1 309.377 2.802 20 0 DFADMM CCCC1(CNc2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000821034080 607117203 /nfs/dbraw/zinc/11/72/03/607117203.db2.gz ILYQMDSCWOVNAX-UHFFFAOYSA-N -1 1 309.377 2.802 20 0 DFADMM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821014455 607164397 /nfs/dbraw/zinc/16/43/97/607164397.db2.gz HJMRLDKYFVDHAO-GHMZBOCLSA-N -1 1 319.434 2.969 20 0 DFADMM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821014455 607164399 /nfs/dbraw/zinc/16/43/99/607164399.db2.gz HJMRLDKYFVDHAO-GHMZBOCLSA-N -1 1 319.434 2.969 20 0 DFADMM c1[nH]c(Sc2cccc(-c3nnn[n-]3)n2)nc1-c1ccccc1 ZINC000826518966 607896849 /nfs/dbraw/zinc/89/68/49/607896849.db2.gz DZDXSQFPYUDXJR-UHFFFAOYSA-N -1 1 321.369 2.803 20 0 DFADMM c1[nH]c(Sc2cccc(-c3nn[n-]n3)n2)nc1-c1ccccc1 ZINC000826518966 607896850 /nfs/dbraw/zinc/89/68/50/607896850.db2.gz DZDXSQFPYUDXJR-UHFFFAOYSA-N -1 1 321.369 2.803 20 0 DFADMM Fc1cc(Nc2cccc(-c3nnn[n-]3)n2)ccc1OC(F)F ZINC000826373094 607897667 /nfs/dbraw/zinc/89/76/67/607897667.db2.gz ZBBQKNUNYAGOCT-UHFFFAOYSA-N -1 1 322.250 2.746 20 0 DFADMM Fc1cc(Nc2cccc(-c3nn[n-]n3)n2)ccc1OC(F)F ZINC000826373094 607897668 /nfs/dbraw/zinc/89/76/68/607897668.db2.gz ZBBQKNUNYAGOCT-UHFFFAOYSA-N -1 1 322.250 2.746 20 0 DFADMM CCn1c(C)cc2c1CCC[C@H]2Nc1cccc(-c2nnn[n-]2)n1 ZINC000825782836 607898069 /nfs/dbraw/zinc/89/80/69/607898069.db2.gz RGFZCBIJTGDYCU-CYBMUJFWSA-N -1 1 323.404 2.881 20 0 DFADMM CCn1c(C)cc2c1CCC[C@H]2Nc1cccc(-c2nn[n-]n2)n1 ZINC000825782836 607898070 /nfs/dbraw/zinc/89/80/70/607898070.db2.gz RGFZCBIJTGDYCU-CYBMUJFWSA-N -1 1 323.404 2.881 20 0 DFADMM c1cc(Nc2ccc(NC3CCCC3)nc2)nc(-c2nn[n-]n2)c1 ZINC000826517818 607898664 /nfs/dbraw/zinc/89/86/64/607898664.db2.gz PRJWHZUKWRKTEB-UHFFFAOYSA-N -1 1 322.376 2.755 20 0 DFADMM Cc1ccc(Nc2cccc(-c3nnn[n-]3)n2)cc1OC(F)F ZINC000826291548 607900212 /nfs/dbraw/zinc/90/02/12/607900212.db2.gz LAHKAVGQIOQUEA-UHFFFAOYSA-N -1 1 318.287 2.915 20 0 DFADMM Cc1ccc(Nc2cccc(-c3nn[n-]n3)n2)cc1OC(F)F ZINC000826291548 607900213 /nfs/dbraw/zinc/90/02/13/607900213.db2.gz LAHKAVGQIOQUEA-UHFFFAOYSA-N -1 1 318.287 2.915 20 0 DFADMM Cc1cc(C)cc(C[C@@H](C)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC000826264388 607901055 /nfs/dbraw/zinc/90/10/55/607901055.db2.gz MQIVUJURAJSXGD-CYBMUJFWSA-N -1 1 308.389 2.922 20 0 DFADMM Cc1cc(C)cc(C[C@@H](C)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC000826264388 607901056 /nfs/dbraw/zinc/90/10/56/607901056.db2.gz MQIVUJURAJSXGD-CYBMUJFWSA-N -1 1 308.389 2.922 20 0 DFADMM Cc1cc(C)cc(C[C@H](C)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC000826264389 607901092 /nfs/dbraw/zinc/90/10/92/607901092.db2.gz MQIVUJURAJSXGD-ZDUSSCGKSA-N -1 1 308.389 2.922 20 0 DFADMM Cc1cc(C)cc(C[C@H](C)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC000826264389 607901093 /nfs/dbraw/zinc/90/10/93/607901093.db2.gz MQIVUJURAJSXGD-ZDUSSCGKSA-N -1 1 308.389 2.922 20 0 DFADMM CC1(C)CCC[C@@H](C(=O)OCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC000824802365 607916710 /nfs/dbraw/zinc/91/67/10/607916710.db2.gz MGSPRQVOJOTFFY-GFCCVEGCSA-N -1 1 315.377 2.521 20 0 DFADMM CC1(C)CCC[C@@H](C(=O)OCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC000824802365 607916711 /nfs/dbraw/zinc/91/67/11/607916711.db2.gz MGSPRQVOJOTFFY-GFCCVEGCSA-N -1 1 315.377 2.521 20 0 DFADMM Clc1ccc(CSc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826351939 607988189 /nfs/dbraw/zinc/98/81/89/607988189.db2.gz HPCUSZWRYKLCNK-UHFFFAOYSA-N -1 1 304.766 2.602 20 0 DFADMM Clc1ccc(CSc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826351939 607988190 /nfs/dbraw/zinc/98/81/90/607988190.db2.gz HPCUSZWRYKLCNK-UHFFFAOYSA-N -1 1 304.766 2.602 20 0 DFADMM CCCC[C@H](CC)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825260728 607998530 /nfs/dbraw/zinc/99/85/30/607998530.db2.gz QUOACXWDGZWYDW-JTQLQIEISA-N -1 1 303.366 2.727 20 0 DFADMM Cc1cc(C)c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c(C)c1 ZINC000826263095 608075527 /nfs/dbraw/zinc/07/55/27/608075527.db2.gz KXGQNAJCHUUWMS-UHFFFAOYSA-N -1 1 323.356 2.750 20 0 DFADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N1CC[C@@H](C2CC2)C1 ZINC000826522500 608152296 /nfs/dbraw/zinc/15/22/96/608152296.db2.gz DLKHGVPNGDQHBC-GFCCVEGCSA-N -1 1 306.373 2.651 20 0 DFADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N1CC[C@@H](C2CC2)C1 ZINC000826522500 608152297 /nfs/dbraw/zinc/15/22/97/608152297.db2.gz DLKHGVPNGDQHBC-GFCCVEGCSA-N -1 1 306.373 2.651 20 0 DFADMM Cc1cccc2c1CCN2c1snc(Cl)c1-c1nnn[n-]1 ZINC000826305331 608181341 /nfs/dbraw/zinc/18/13/41/608181341.db2.gz SHQIEXPLZBUEIC-UHFFFAOYSA-N -1 1 318.793 2.979 20 0 DFADMM Cc1cccc2c1CCN2c1snc(Cl)c1-c1nn[n-]n1 ZINC000826305331 608181343 /nfs/dbraw/zinc/18/13/43/608181343.db2.gz SHQIEXPLZBUEIC-UHFFFAOYSA-N -1 1 318.793 2.979 20 0 DFADMM Clc1nsc(N[C@@H]2CC3CCC2CC3)c1-c1nnn[n-]1 ZINC000826354227 608191241 /nfs/dbraw/zinc/19/12/41/608191241.db2.gz UFVKPFZSPGBNKH-KAVNDROISA-N -1 1 310.814 2.967 20 0 DFADMM Clc1nsc(N[C@@H]2CC3CCC2CC3)c1-c1nn[n-]n1 ZINC000826354227 608191242 /nfs/dbraw/zinc/19/12/42/608191242.db2.gz UFVKPFZSPGBNKH-KAVNDROISA-N -1 1 310.814 2.967 20 0 DFADMM CC(C)[C@H]1C[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CCO1 ZINC000824214689 608242517 /nfs/dbraw/zinc/24/25/17/608242517.db2.gz HGZAGBKVWVNGSU-GXSJLCMTSA-N -1 1 322.800 2.531 20 0 DFADMM CC(C)[C@H]1C[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CCO1 ZINC000824214689 608242518 /nfs/dbraw/zinc/24/25/18/608242518.db2.gz HGZAGBKVWVNGSU-GXSJLCMTSA-N -1 1 322.800 2.531 20 0 DFADMM Cc1scc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1C ZINC000826350522 608321334 /nfs/dbraw/zinc/32/13/34/608321334.db2.gz ZWSULCYKIKTFSH-UHFFFAOYSA-N -1 1 315.358 2.503 20 0 DFADMM Fc1cc(Cl)cc(F)c1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000826372106 608389086 /nfs/dbraw/zinc/38/90/86/608389086.db2.gz HWPWQRMFJFEDNI-UHFFFAOYSA-N -1 1 322.706 2.805 20 0 DFADMM Fc1cc(Cl)cc(F)c1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000826372106 608389087 /nfs/dbraw/zinc/38/90/87/608389087.db2.gz HWPWQRMFJFEDNI-UHFFFAOYSA-N -1 1 322.706 2.805 20 0 DFADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(Cl)s1 ZINC000824656495 608396917 /nfs/dbraw/zinc/39/69/17/608396917.db2.gz KYPZLSBUKYAAGI-LURJTMIESA-N -1 1 307.770 2.545 20 0 DFADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(Cl)s1 ZINC000824656495 608396918 /nfs/dbraw/zinc/39/69/18/608396918.db2.gz KYPZLSBUKYAAGI-LURJTMIESA-N -1 1 307.770 2.545 20 0 DFADMM CCC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CCCCC1 ZINC000825242722 608411122 /nfs/dbraw/zinc/41/11/22/608411122.db2.gz ZIMNCEOFEPROQZ-GFCCVEGCSA-N -1 1 301.398 2.818 20 0 DFADMM CCC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CCCCC1 ZINC000825242722 608411123 /nfs/dbraw/zinc/41/11/23/608411123.db2.gz ZIMNCEOFEPROQZ-GFCCVEGCSA-N -1 1 301.398 2.818 20 0 DFADMM C[C@@H](CCC1CCCCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824400979 608419751 /nfs/dbraw/zinc/41/97/51/608419751.db2.gz NHPGOBFHNNYJLR-NSHDSACASA-N -1 1 301.398 2.818 20 0 DFADMM C[C@@H](CCC1CCCCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824400979 608419752 /nfs/dbraw/zinc/41/97/52/608419752.db2.gz NHPGOBFHNNYJLR-NSHDSACASA-N -1 1 301.398 2.818 20 0 DFADMM COc1ccccc1[C@@H](C)Sc1ccc(-c2nnn[n-]2)nn1 ZINC000826219174 608424703 /nfs/dbraw/zinc/42/47/03/608424703.db2.gz VDBBRQADRPHKAS-SECBINFHSA-N -1 1 314.374 2.519 20 0 DFADMM COc1ccccc1[C@@H](C)Sc1ccc(-c2nn[n-]n2)nn1 ZINC000826219174 608424705 /nfs/dbraw/zinc/42/47/05/608424705.db2.gz VDBBRQADRPHKAS-SECBINFHSA-N -1 1 314.374 2.519 20 0 DFADMM c1ccc([C@H](CC2CC2)Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826520772 608425543 /nfs/dbraw/zinc/42/55/43/608425543.db2.gz QXBPJGLVTGOGSD-AWEZNQCLSA-N -1 1 307.361 2.610 20 0 DFADMM c1ccc([C@H](CC2CC2)Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826520772 608425544 /nfs/dbraw/zinc/42/55/44/608425544.db2.gz QXBPJGLVTGOGSD-AWEZNQCLSA-N -1 1 307.361 2.610 20 0 DFADMM c1ccc2c(c1)CCC[C@@H]2Sc1ccc(-c2nnn[n-]2)nn1 ZINC000826523499 608432609 /nfs/dbraw/zinc/43/26/09/608432609.db2.gz ONULHIHICWPNEM-ZDUSSCGKSA-N -1 1 310.386 2.826 20 0 DFADMM c1ccc2c(c1)CCC[C@@H]2Sc1ccc(-c2nn[n-]n2)nn1 ZINC000826523499 608432610 /nfs/dbraw/zinc/43/26/10/608432610.db2.gz ONULHIHICWPNEM-ZDUSSCGKSA-N -1 1 310.386 2.826 20 0 DFADMM Cc1ccc(C)c([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826285198 608433131 /nfs/dbraw/zinc/43/31/31/608433131.db2.gz RQOQHTOQWBZOIJ-HNNXBMFYSA-N -1 1 321.388 2.615 20 0 DFADMM Cc1ccc(C)c([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826285198 608433132 /nfs/dbraw/zinc/43/31/32/608433132.db2.gz RQOQHTOQWBZOIJ-HNNXBMFYSA-N -1 1 321.388 2.615 20 0 DFADMM CC(C)C1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000824217107 608433683 /nfs/dbraw/zinc/43/36/83/608433683.db2.gz YHXDFQFVPMHWLC-UHFFFAOYSA-N -1 1 301.398 2.531 20 0 DFADMM CC(C)C1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000824217107 608433684 /nfs/dbraw/zinc/43/36/84/608433684.db2.gz YHXDFQFVPMHWLC-UHFFFAOYSA-N -1 1 301.398 2.531 20 0 DFADMM CC(C)(C)C[C@@H](NCc1ccc(-c2nn[n-]n2)o1)C(F)(F)F ZINC000824085961 609344338 /nfs/dbraw/zinc/34/43/38/609344338.db2.gz IBVVGPVIPKCNMQ-SNVBAGLBSA-N -1 1 317.315 2.916 20 0 DFADMM CC(C)(C)C[C@@H](NCc1ccc(-c2nnn[n-]2)o1)C(F)(F)F ZINC000824085961 609344336 /nfs/dbraw/zinc/34/43/36/609344336.db2.gz IBVVGPVIPKCNMQ-SNVBAGLBSA-N -1 1 317.315 2.916 20 0 DFADMM CC(C)C[C@H](C)C[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824228747 609362214 /nfs/dbraw/zinc/36/22/14/609362214.db2.gz KIYLCSFHSKHMLX-NWDGAFQWSA-N -1 1 317.393 2.879 20 0 DFADMM CC(C)C[C@H](C)C[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824228747 609362216 /nfs/dbraw/zinc/36/22/16/609362216.db2.gz KIYLCSFHSKHMLX-NWDGAFQWSA-N -1 1 317.393 2.879 20 0 DFADMM C[C@@H]1CC[C@@]2(CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC000824914979 609396247 /nfs/dbraw/zinc/39/62/47/609396247.db2.gz AUSANQBQJDTINY-MEBBXXQBSA-N -1 1 317.418 2.581 20 0 DFADMM C[C@@H]1CC[C@@]2(CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC000824914979 609396249 /nfs/dbraw/zinc/39/62/49/609396249.db2.gz AUSANQBQJDTINY-MEBBXXQBSA-N -1 1 317.418 2.581 20 0 DFADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2NCC[C@H]1CCCCO1 ZINC000826523338 609582274 /nfs/dbraw/zinc/58/22/74/609582274.db2.gz JHNYQTCWGFWDJS-GFCCVEGCSA-N -1 1 324.388 2.786 20 0 DFADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2NCC[C@H]1CCCCO1 ZINC000826523338 609582276 /nfs/dbraw/zinc/58/22/76/609582276.db2.gz JHNYQTCWGFWDJS-GFCCVEGCSA-N -1 1 324.388 2.786 20 0 DFADMM C[C@H]1C[C@H](CCNc2ccc(Cl)c(-c3nnn[n-]3)n2)CCO1 ZINC000824886315 609596337 /nfs/dbraw/zinc/59/63/37/609596337.db2.gz WZTCWLAXHSTGQM-VHSXEESVSA-N -1 1 322.800 2.532 20 0 DFADMM C[C@H]1C[C@H](CCNc2ccc(Cl)c(-c3nn[n-]n3)n2)CCO1 ZINC000824886315 609596340 /nfs/dbraw/zinc/59/63/40/609596340.db2.gz WZTCWLAXHSTGQM-VHSXEESVSA-N -1 1 322.800 2.532 20 0 DFADMM [O-]c1ccc(-c2noc([C@H]3CCc4n[nH]cc4C3)n2)cc1F ZINC000278325070 214090517 /nfs/dbraw/zinc/09/05/17/214090517.db2.gz ZDRCNCVIUYXJEG-VIFPVBQESA-N -1 1 300.293 2.577 20 0 DFADMM O=C(N[C@@H]1CCC[C@@H](CO)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000412929409 295661566 /nfs/dbraw/zinc/66/15/66/295661566.db2.gz FNAPAPQLHGLFFZ-MWLCHTKSSA-N -1 1 317.307 2.692 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H](C)C1CCCCC1 ZINC000081830343 192331042 /nfs/dbraw/zinc/33/10/42/192331042.db2.gz CYXXEGWVTHHFCX-SECBINFHSA-N -1 1 309.435 2.911 20 0 DFADMM CC[C@@H](Sc1ncc(C(=O)OC)[n-]1)C(=O)c1ccccc1 ZINC000278619179 214279579 /nfs/dbraw/zinc/27/95/79/214279579.db2.gz JOOGNESXPRSDJX-GFCCVEGCSA-N -1 1 304.371 2.950 20 0 DFADMM CC[C@@H](Sc1nc(C(=O)OC)c[n-]1)C(=O)c1ccccc1 ZINC000278619179 214279582 /nfs/dbraw/zinc/27/95/82/214279582.db2.gz JOOGNESXPRSDJX-GFCCVEGCSA-N -1 1 304.371 2.950 20 0 DFADMM CC[C@@H](C)[C@@H](CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)OC ZINC000295800750 529395979 /nfs/dbraw/zinc/39/59/79/529395979.db2.gz DYSYZFHJBYPBGS-ZYHUDNBSSA-N -1 1 323.437 2.579 20 0 DFADMM COc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2)c1OC ZINC000315195016 231138758 /nfs/dbraw/zinc/13/87/58/231138758.db2.gz LBIPZJOWYJLJII-OAHLLOKOSA-N -1 1 301.342 2.619 20 0 DFADMM O=C(Nc1ccccc1OCC(F)(F)F)c1cncc([O-])c1 ZINC000315918564 231144792 /nfs/dbraw/zinc/14/47/92/231144792.db2.gz VONNWPDNKOHLKO-UHFFFAOYSA-N -1 1 312.247 2.981 20 0 DFADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000007052642 398358434 /nfs/dbraw/zinc/35/84/34/398358434.db2.gz HWNITBICECSAHX-UHFFFAOYSA-N -1 1 319.382 2.973 20 0 DFADMM O=S(=O)([N-]c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000007054640 398358483 /nfs/dbraw/zinc/35/84/83/398358483.db2.gz FMCPOJDZAHCFGD-UHFFFAOYSA-N -1 1 305.355 2.649 20 0 DFADMM C[N@@H+](Cc1cc(=O)[nH]c(C2CC2)n1)[C@H](CCO)c1ccccc1 ZINC000459341794 299082980 /nfs/dbraw/zinc/08/29/80/299082980.db2.gz FJKCWQRZYJBUBF-MRXNPFEDSA-N -1 1 313.401 2.615 20 0 DFADMM CC1(C)CC[C@H]1[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000286634172 219095095 /nfs/dbraw/zinc/09/50/95/219095095.db2.gz IPPPUTZLJBWCME-MRVPVSSYSA-N -1 1 309.218 2.855 20 0 DFADMM CCOC(=O)CC(C)(C)CCSc1nc(C(=O)OC)c[n-]1 ZINC000286696284 219114482 /nfs/dbraw/zinc/11/44/82/219114482.db2.gz ZQOODCYSIPBEPX-UHFFFAOYSA-N -1 1 314.407 2.658 20 0 DFADMM COc1ccc(C(=O)Nc2ccc(N3CCCC3)nc2)c([O-])c1 ZINC000022326489 398417401 /nfs/dbraw/zinc/41/74/01/398417401.db2.gz OONGDOBSHINWHY-UHFFFAOYSA-N -1 1 313.357 2.648 20 0 DFADMM CC[C@H](NCc1ccc(-c2ccccc2C(=O)OC)o1)C(=O)[O-] ZINC000592422278 398424270 /nfs/dbraw/zinc/42/42/70/398424270.db2.gz KLNZNCKUWYDSKU-AWEZNQCLSA-N -1 1 317.341 2.686 20 0 DFADMM COc1ccc(Br)c(CN(C)C(C)(C)C(=O)[O-])c1 ZINC000087790245 398432080 /nfs/dbraw/zinc/43/20/80/398432080.db2.gz APEVQGPWKHGADJ-UHFFFAOYSA-N -1 1 316.195 2.753 20 0 DFADMM Cc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2F)cc1F ZINC000024711574 398433380 /nfs/dbraw/zinc/43/33/80/398433380.db2.gz OOENQPXRKQTLOQ-UHFFFAOYSA-N -1 1 315.316 2.891 20 0 DFADMM Cc1ccc2cc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)[nH]c2c1 ZINC000026251714 398451820 /nfs/dbraw/zinc/45/18/20/398451820.db2.gz WXWCOLJIZCDXNU-UHFFFAOYSA-N -1 1 309.251 2.866 20 0 DFADMM CN(C)[C@H](CN=c1[n-]c(-c2ccccc2)no1)c1ccccc1 ZINC000588159019 398485825 /nfs/dbraw/zinc/48/58/25/398485825.db2.gz MRCQTEJLFJKCLY-MRXNPFEDSA-N -1 1 308.385 2.873 20 0 DFADMM COCCCCCNC(=O)c1ccc(Br)cc1[O-] ZINC000057558594 282433433 /nfs/dbraw/zinc/43/34/33/282433433.db2.gz LSTUGJJNLIRQAN-UHFFFAOYSA-N -1 1 316.195 2.701 20 0 DFADMM COc1cc(F)c(S(=O)(=O)[N-]CCC2CCCC2)c(F)c1 ZINC000588677433 398502532 /nfs/dbraw/zinc/50/25/32/398502532.db2.gz VIEPOCWQNPAZBJ-UHFFFAOYSA-N -1 1 319.373 2.832 20 0 DFADMM COC(=O)c1ccc(CNC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000068768578 398525158 /nfs/dbraw/zinc/52/51/58/398525158.db2.gz GEUNNYDWYYEZNQ-UHFFFAOYSA-N -1 1 319.744 2.762 20 0 DFADMM CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2C)c1 ZINC000316610979 398531905 /nfs/dbraw/zinc/53/19/05/398531905.db2.gz LFZHYYJYVFRCBG-UHFFFAOYSA-N -1 1 318.398 2.546 20 0 DFADMM C[C@@H](c1ccc2ccccc2c1)N(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC000091556379 398535989 /nfs/dbraw/zinc/53/59/89/398535989.db2.gz CBFKEQAPPXOUSE-LBPRGKRZSA-N -1 1 308.385 2.977 20 0 DFADMM O=c1[n-]c(CSc2nnc(Nc3ccccc3F)s2)n[nH]1 ZINC000091559530 398536042 /nfs/dbraw/zinc/53/60/42/398536042.db2.gz XPQVKURSNDROKT-UHFFFAOYSA-N -1 1 324.366 2.537 20 0 DFADMM CC(=O)Nc1cccc(CNC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000032745862 398536962 /nfs/dbraw/zinc/53/69/62/398536962.db2.gz BOXXOGZOVZSDEC-UHFFFAOYSA-N -1 1 318.760 2.934 20 0 DFADMM COc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)c1 ZINC000589436700 398551587 /nfs/dbraw/zinc/55/15/87/398551587.db2.gz RZBJURMKDXMRAI-UHFFFAOYSA-N -1 1 319.382 2.821 20 0 DFADMM Cc1ccc([C@H](C)CNC(=O)/N=c2/ccnc3n(C)[n-]cc2-3)cc1 ZINC000287009356 219267823 /nfs/dbraw/zinc/26/78/23/219267823.db2.gz BODUZUAFAONYCG-GTMGWDBPSA-N -1 1 323.400 2.575 20 0 DFADMM Cn1[n-]cc2/c(=N\C(=O)N3CCC[C@@H](C(C)(C)C)C3)ccnc1-2 ZINC000287033949 219279312 /nfs/dbraw/zinc/27/93/12/219279312.db2.gz CVFZYNABWXORTF-KMCFQHSYSA-N -1 1 315.421 2.632 20 0 DFADMM O=c1cc(C(F)(F)F)nc(SC[C@H]2CCCC[C@H]2O)[n-]1 ZINC000331359329 233174675 /nfs/dbraw/zinc/17/46/75/233174675.db2.gz WJURTZTYWYPQBQ-HTQZYQBOSA-N -1 1 308.325 2.844 20 0 DFADMM O=C([O-])C[C@@H]1CCCN1Cc1ccc(Br)s1 ZINC000042163743 398585430 /nfs/dbraw/zinc/58/54/30/398585430.db2.gz TTZQXSTYBHFKRB-QMMMGPOBSA-N -1 1 304.209 2.950 20 0 DFADMM COC(=O)c1ccc(Cl)c(C[N@H+]2[C@@H](C)CC[C@H]2C(=O)[O-])c1 ZINC000593290348 398590653 /nfs/dbraw/zinc/59/06/53/398590653.db2.gz FZNDRLOAYMQKGI-ZANVPECISA-N -1 1 311.765 2.564 20 0 DFADMM O=C(c1cc(F)ccc1[O-])N(CCCO)Cc1ccccc1 ZINC000092762923 398599799 /nfs/dbraw/zinc/59/97/99/398599799.db2.gz HVRBWCGHWVJHLM-UHFFFAOYSA-N -1 1 303.333 2.556 20 0 DFADMM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1csc(-c2ccccn2)n1 ZINC000092925719 398607672 /nfs/dbraw/zinc/60/76/72/398607672.db2.gz PCIHVJKMFHKTGV-ZYHUDNBSSA-N -1 1 303.387 2.500 20 0 DFADMM C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000092928438 398607808 /nfs/dbraw/zinc/60/78/08/398607808.db2.gz SLFKIGLESSYAAC-APPDUMDISA-N -1 1 315.344 2.996 20 0 DFADMM CCc1noc(C)c1-c1noc(-c2ccc(OC)cc2[O-])n1 ZINC000351026259 398613498 /nfs/dbraw/zinc/61/34/98/398613498.db2.gz RSPIQTKSBOWDJO-UHFFFAOYSA-N -1 1 301.302 2.977 20 0 DFADMM CCC[C@@H](NC(=O)c1cc(C)c(Cl)cc1C)c1nn[n-]n1 ZINC000280010450 215309582 /nfs/dbraw/zinc/30/95/82/215309582.db2.gz SSVCNDCQIJAOEJ-GFCCVEGCSA-N -1 1 307.785 2.741 20 0 DFADMM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCc2c1cccc2C ZINC000104754260 282695839 /nfs/dbraw/zinc/69/58/39/282695839.db2.gz YPPFVGJCGUMZRF-AWEZNQCLSA-N -1 1 306.387 2.566 20 0 DFADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)c1 ZINC000044668050 398651326 /nfs/dbraw/zinc/65/13/26/398651326.db2.gz XGBAYQKYHDGFMQ-UHFFFAOYSA-N -1 1 324.789 2.548 20 0 DFADMM CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000119212930 282761482 /nfs/dbraw/zinc/76/14/82/282761482.db2.gz PYBHPARBYRHWBP-NHYWBVRUSA-N -1 1 311.403 2.508 20 0 DFADMM O=S(=O)(C[C@H]1CCCCO1)[N-]c1ccc2ncsc2c1 ZINC000172590360 198119073 /nfs/dbraw/zinc/11/90/73/198119073.db2.gz KKFFQOUZABQJIK-LLVKDONJSA-N -1 1 312.416 2.607 20 0 DFADMM COCc1cc(CNC(=O)c2c([O-])cccc2F)ccc1F ZINC000123656076 282852049 /nfs/dbraw/zinc/85/20/49/282852049.db2.gz GUEPNBXLFSKXED-UHFFFAOYSA-N -1 1 307.296 2.747 20 0 DFADMM CN(C(=O)c1cncc([O-])c1)[C@H]1CCCN(c2ccccc2)C1 ZINC000173631876 198234881 /nfs/dbraw/zinc/23/48/81/198234881.db2.gz PMFAGDIRMHKUII-INIZCTEOSA-N -1 1 311.385 2.528 20 0 DFADMM CCCN(CC(=O)OCC)C(=O)c1cc2ccccc2cc1[O-] ZINC000125222971 282878198 /nfs/dbraw/zinc/87/81/98/282878198.db2.gz BRMRDVGOHYZAPB-UHFFFAOYSA-N -1 1 315.369 2.961 20 0 DFADMM CC(C)OCCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000073688988 398695048 /nfs/dbraw/zinc/69/50/48/398695048.db2.gz LVYJJAOYACYROH-UHFFFAOYSA-N -1 1 319.401 2.629 20 0 DFADMM COCCc1ccc(S(=O)(=O)[N-]c2cccc(OC)c2)cc1 ZINC000073743368 398697425 /nfs/dbraw/zinc/69/74/25/398697425.db2.gz LZADCBXXTVXNQV-UHFFFAOYSA-N -1 1 321.398 2.685 20 0 DFADMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)oc3c2)cc1 ZINC000073957081 398712725 /nfs/dbraw/zinc/71/27/25/398712725.db2.gz 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ZINC000075402855 426072457 /nfs/dbraw/zinc/07/24/57/426072457.db2.gz JYUTZKSEBKAIIG-GFCCVEGCSA-N -1 1 301.390 2.868 20 0 DFADMM CC(C)c1ncc(C(=O)Nc2cc(-c3nccn3C)n[nH]2)s1 ZINC000127262966 426057921 /nfs/dbraw/zinc/05/79/21/426057921.db2.gz OLJSRBAVYIEEJS-UHFFFAOYSA-N -1 1 316.390 2.642 20 0 DFADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2C)c1 ZINC000074928377 426058544 /nfs/dbraw/zinc/05/85/44/426058544.db2.gz DYHTWQUPLJHTLT-UHFFFAOYSA-N -1 1 304.371 2.754 20 0 DFADMM Cc1nc2cc([N-]S(=O)(=O)c3ccccc3C)ccc2n1C ZINC000074985748 426059758 /nfs/dbraw/zinc/05/97/58/426059758.db2.gz NZKAKRUTMSSPST-UHFFFAOYSA-N -1 1 315.398 2.991 20 0 DFADMM Cn1c(NC(=O)c2ccccc2[O-])nc2cc(Cl)ccc21 ZINC000072047645 426008119 /nfs/dbraw/zinc/00/81/19/426008119.db2.gz SNWCUTKEKNXOHQ-UHFFFAOYSA-N -1 1 301.733 3.185 20 0 DFADMM CC(C)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)[nH]n1 ZINC000126155943 426008167 /nfs/dbraw/zinc/00/81/67/426008167.db2.gz DZWBZNJMNXXKSO-UHFFFAOYSA-N -1 1 305.403 2.823 20 0 DFADMM CCCc1cc([N-]S(=O)(=O)c2cc3ccccc3o2)n[nH]1 ZINC000126472656 426021586 /nfs/dbraw/zinc/02/15/86/426021586.db2.gz LKJVGONFIDZWHY-UHFFFAOYSA-N -1 1 305.359 2.909 20 0 DFADMM COC(=O)c1cc(CNC(=O)c2ccc(Cl)cc2[O-])oc1C ZINC000076147856 426102016 /nfs/dbraw/zinc/10/20/16/426102016.db2.gz KFLSYLREIWHZTF-UHFFFAOYSA-N -1 1 323.732 2.664 20 0 DFADMM COCC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1F)C(C)(C)C ZINC000337960595 268586584 /nfs/dbraw/zinc/58/65/84/268586584.db2.gz YDPBSILYEHDOMW-GFCCVEGCSA-N -1 1 321.389 2.694 20 0 DFADMM O=C([O-])[C@@H]1CCCN(Cc2ncc(-c3ccccc3F)o2)C1 ZINC000164670208 426117259 /nfs/dbraw/zinc/11/72/59/426117259.db2.gz UUZYRUNAKHZDPO-LLVKDONJSA-N -1 1 304.321 2.777 20 0 DFADMM Cc1cccc(C(C)(C)NC(=O)c2nc3ccccc3c(=O)[n-]2)c1 ZINC000076775104 426117322 /nfs/dbraw/zinc/11/73/22/426117322.db2.gz DKXOBXAVUMYDBG-UHFFFAOYSA-N -1 1 321.380 2.897 20 0 DFADMM COc1ccc(CNC(=O)c2ccc(Cl)cc2[O-])cc1O ZINC000077499113 426136371 /nfs/dbraw/zinc/13/63/71/426136371.db2.gz APVWAVJIXPLLBZ-UHFFFAOYSA-N -1 1 307.733 2.690 20 0 DFADMM CCSCC[C@H](C)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000075546336 426077341 /nfs/dbraw/zinc/07/73/41/426077341.db2.gz CRUFPLNYSOEWEK-NSHDSACASA-N -1 1 319.430 2.939 20 0 DFADMM O=S(=O)([N-]c1cccc(-n2ccnc2)c1)c1ccc(F)cc1 ZINC000077510707 426137577 /nfs/dbraw/zinc/13/75/77/426137577.db2.gz KAZGGVKPVKYKAU-UHFFFAOYSA-N -1 1 317.345 2.812 20 0 DFADMM O=C(N[C@H]1CCCC[C@H]1n1cccn1)c1c([O-])cccc1F ZINC000127683918 426079773 /nfs/dbraw/zinc/07/97/73/426079773.db2.gz CIDYDUKMQDYEDP-QWHCGFSZSA-N -1 1 303.337 2.642 20 0 DFADMM Cc1ccccc1C1(CNC(=O)c2ccc3[nH]nnc3c2)CC1 ZINC000171020358 426164859 /nfs/dbraw/zinc/16/48/59/426164859.db2.gz ZYHHZXBNVRTSLO-UHFFFAOYSA-N -1 1 306.369 2.728 20 0 DFADMM O=C(C=Cc1ccc(Cl)c(C(F)(F)F)c1)Nc1nnn[n-]1 ZINC000078379996 426166990 /nfs/dbraw/zinc/16/69/90/426166990.db2.gz PNPFDRZITHIMNO-DUXPYHPUSA-N -1 1 317.658 2.524 20 0 DFADMM O=C(C=Cc1ccc(Cl)c(C(F)(F)F)c1)Nc1nn[n-]n1 ZINC000078379996 426166992 /nfs/dbraw/zinc/16/69/92/426166992.db2.gz PNPFDRZITHIMNO-DUXPYHPUSA-N -1 1 317.658 2.524 20 0 DFADMM COc1cc(CN(C)C(=O)c2ncccc2[O-])ccc1SC ZINC000171284419 426181289 /nfs/dbraw/zinc/18/12/89/426181289.db2.gz KIMMRIAYXHSTAT-UHFFFAOYSA-N -1 1 318.398 2.790 20 0 DFADMM COCCN(CCCC(=O)[O-])Cc1ccc(F)cc1Cl ZINC000116399692 426188941 /nfs/dbraw/zinc/18/89/41/426188941.db2.gz HHBQIJYTKZLICL-UHFFFAOYSA-N -1 1 303.761 2.792 20 0 DFADMM O=C([N-]CCCc1nc(-c2ccncc2)cs1)C(F)(F)F ZINC000171569362 426195228 /nfs/dbraw/zinc/19/52/28/426195228.db2.gz GDVAMXWVKCMODK-UHFFFAOYSA-N -1 1 315.320 2.816 20 0 DFADMM O=C(CNC(=O)c1cc(F)ccc1[O-])Nc1ccc(Cl)cc1 ZINC000081945229 426227057 /nfs/dbraw/zinc/22/70/57/426227057.db2.gz UKYQQTIJZBQUGY-UHFFFAOYSA-N -1 1 322.723 2.553 20 0 DFADMM CCC1(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)CCC1 ZINC000084382135 426237396 /nfs/dbraw/zinc/23/73/96/426237396.db2.gz AAFOPLXBQDMVEF-UHFFFAOYSA-N -1 1 305.422 2.686 20 0 DFADMM O=C(C=Cc1sc2ccccc2c1Cl)Nc1nnn[n-]1 ZINC000118685838 426241290 /nfs/dbraw/zinc/24/12/90/426241290.db2.gz NGTIDGZKVHJIOH-AATRIKPKSA-N -1 1 305.750 2.720 20 0 DFADMM O=C(C=Cc1sc2ccccc2c1Cl)Nc1nn[n-]n1 ZINC000118685838 426241292 /nfs/dbraw/zinc/24/12/92/426241292.db2.gz NGTIDGZKVHJIOH-AATRIKPKSA-N -1 1 305.750 2.720 20 0 DFADMM COc1ccc(C(=O)N2C[C@@H](C)Oc3cc(F)ccc32)c([O-])c1 ZINC000173522288 426242538 /nfs/dbraw/zinc/24/25/38/426242538.db2.gz VTOGCOYLWZUZEK-SNVBAGLBSA-N -1 1 317.316 2.968 20 0 DFADMM CCC[C@@H](NC(=O)C[C@@H](c1ccccc1)C(C)C)c1nn[n-]n1 ZINC000136718938 426244997 /nfs/dbraw/zinc/24/49/97/426244997.db2.gz UQCXVKRCXAGWDM-HUUCEWRRSA-N -1 1 315.421 2.987 20 0 DFADMM O=C(c1c([O-])cnc2ccccc21)N1CCO[C@@H](c2ccco2)C1 ZINC000137114071 426251095 /nfs/dbraw/zinc/25/10/95/426251095.db2.gz CORKNYWVRLYZPS-MRXNPFEDSA-N -1 1 324.336 2.747 20 0 DFADMM C[C@H](c1ccc(Cl)cc1Cl)S(=O)(=O)c1ncn[n-]1 ZINC000086169546 426255549 /nfs/dbraw/zinc/25/55/49/426255549.db2.gz RYOMEMSLXPZPEI-ZCFIWIBFSA-N -1 1 306.174 2.646 20 0 DFADMM C[C@H](c1ccc(Cl)cc1Cl)S(=O)(=O)c1nc[n-]n1 ZINC000086169546 426255551 /nfs/dbraw/zinc/25/55/51/426255551.db2.gz RYOMEMSLXPZPEI-ZCFIWIBFSA-N -1 1 306.174 2.646 20 0 DFADMM Cc1ccc(NC(=O)c2cc(C)ccc2[N-]S(C)(=O)=O)cc1 ZINC000148555403 426259365 /nfs/dbraw/zinc/25/93/65/426259365.db2.gz BQBAISXMLNLEDJ-UHFFFAOYSA-N -1 1 318.398 2.927 20 0 DFADMM O=S(=O)(Cc1cnn(-c2ccccc2)c1)c1ccc([O-])cc1 ZINC000119081960 426260807 /nfs/dbraw/zinc/26/08/07/426260807.db2.gz RFZQAVRFCLFPHT-UHFFFAOYSA-N -1 1 314.366 2.552 20 0 DFADMM O=S(=O)(C[C@H]1CCCCO1)[N-]c1ccc(Cl)c(F)c1 ZINC000150845205 426264114 /nfs/dbraw/zinc/26/41/14/426264114.db2.gz OSNBPSCIDNHVQU-SNVBAGLBSA-N -1 1 307.774 2.790 20 0 DFADMM O=C(c1c([O-])cnc2ccccc21)N1CCOC2(CCCC2)C1 ZINC000150953131 426269515 /nfs/dbraw/zinc/26/95/15/426269515.db2.gz JZCNSUVTPTXMFI-UHFFFAOYSA-N -1 1 312.369 2.726 20 0 DFADMM CCOc1cc(CNC(=O)c2cc(F)ccc2[O-])ccc1OC ZINC000080028156 426210205 /nfs/dbraw/zinc/21/02/05/426210205.db2.gz HKQIBPORZZHPJD-UHFFFAOYSA-N -1 1 319.332 2.869 20 0 DFADMM COc1cc(C(=O)NCC[C@@H]2CCCCO2)cc(Cl)c1[O-] ZINC000135249433 426211221 /nfs/dbraw/zinc/21/12/21/426211221.db2.gz OSHJFWXFQNFNGQ-NSHDSACASA-N -1 1 313.781 2.743 20 0 DFADMM COc1ccc2cccc(CC(=O)[N-]O[C@H]3CCCCO3)c2c1 ZINC000151756707 426311680 /nfs/dbraw/zinc/31/16/80/426311680.db2.gz QMYROJYLSQZXAS-SFHVURJKSA-N -1 1 315.369 2.965 20 0 DFADMM Cc1cccc2nc(-c3ccc(-n4cccn4)nc3)[n-]c(=O)c12 ZINC000339571236 268838671 /nfs/dbraw/zinc/83/86/71/268838671.db2.gz FKWYZDVNZWVWNC-UHFFFAOYSA-N -1 1 303.325 2.892 20 0 DFADMM COc1ccc(OC)c([C@H](C)[N-]C(=O)C(F)(F)C(F)F)c1 ZINC000175772004 426327024 /nfs/dbraw/zinc/32/70/24/426327024.db2.gz KOWDXCFLZASOKG-ZETCQYMHSA-N -1 1 309.259 2.781 20 0 DFADMM C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000175863684 426334219 /nfs/dbraw/zinc/33/42/19/426334219.db2.gz SAZLOSKFPINQSY-VIFPVBQESA-N -1 1 313.781 2.848 20 0 DFADMM COc1ccccc1C[C@H](NC(=O)c1cncc([O-])c1)C(C)C ZINC000175864438 426334711 /nfs/dbraw/zinc/33/47/11/426334711.db2.gz RSNRHNFIETXZSQ-INIZCTEOSA-N -1 1 314.385 2.793 20 0 DFADMM O=C(c1cc2ccccc2cc1[O-])N1CCCC2(C1)OCCO2 ZINC000152270989 426335524 /nfs/dbraw/zinc/33/55/24/426335524.db2.gz ABICFCVXNZXUFM-UHFFFAOYSA-N -1 1 313.353 2.525 20 0 DFADMM CCOCc1ccccc1CNC(=O)c1c([O-])cccc1F ZINC000119323273 426278031 /nfs/dbraw/zinc/27/80/31/426278031.db2.gz JJUQNOBCCRIXMF-UHFFFAOYSA-N -1 1 303.333 2.998 20 0 DFADMM O=C(c1cc(F)ccc1[O-])N1CCCN(c2ccccc2)CC1 ZINC000175201782 426286907 /nfs/dbraw/zinc/28/69/07/426286907.db2.gz NCNZEMPQAIPUTQ-UHFFFAOYSA-N -1 1 314.360 2.884 20 0 DFADMM O=C(c1ncccc1[O-])N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000153640343 426396535 /nfs/dbraw/zinc/39/65/35/426396535.db2.gz NKBJLSOLKUOIPY-SFHVURJKSA-N -1 1 319.364 2.834 20 0 DFADMM O=C(NCc1ccc2c(c1)OCCCO2)c1c([O-])cccc1F ZINC000122858186 426398225 /nfs/dbraw/zinc/39/82/25/426398225.db2.gz JWLUZKMLVSCOQR-UHFFFAOYSA-N -1 1 317.316 2.623 20 0 DFADMM O=C(N[C@@H](c1ccccc1)c1ccncc1)c1ncccc1[O-] ZINC000153753496 426404437 /nfs/dbraw/zinc/40/44/37/426404437.db2.gz JTSIOWCYFYAGGV-INIZCTEOSA-N -1 1 305.337 2.702 20 0 DFADMM O=C(NCCCc1nc2ccccc2[nH]1)c1c([O-])cccc1F ZINC000121422530 426340988 /nfs/dbraw/zinc/34/09/88/426340988.db2.gz YSOVAHSJAUXFOS-UHFFFAOYSA-N -1 1 313.332 2.770 20 0 DFADMM C[C@@H](CC(=O)c1cccs1)NC(=O)c1cc(F)ccc1[O-] ZINC000093098872 426352954 /nfs/dbraw/zinc/35/29/54/426352954.db2.gz QKYHFMMWCOFTTK-VIFPVBQESA-N -1 1 307.346 2.984 20 0 DFADMM C[C@H](CNC(=O)c1ccc2ccccc2c1[O-])Cn1ccnc1 ZINC000094167125 426361245 /nfs/dbraw/zinc/36/12/45/426361245.db2.gz GNEFABRDKDZNER-CYBMUJFWSA-N -1 1 309.369 2.808 20 0 DFADMM Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)c1cncc([O-])c1)CC3 ZINC000340001769 268928151 /nfs/dbraw/zinc/92/81/51/268928151.db2.gz BOYLAJFOWYSJCC-ZDUSSCGKSA-N -1 1 321.380 2.864 20 0 DFADMM CCC[C@]1(C)CCCN(C(=O)c2c(C)[n-]c(=O)nc2SC)C1 ZINC000176491917 426387886 /nfs/dbraw/zinc/38/78/86/426387886.db2.gz KWOXKBFDSCMVJM-MRXNPFEDSA-N -1 1 323.462 2.843 20 0 DFADMM CCc1nc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)n[nH]1 ZINC000123018112 426409301 /nfs/dbraw/zinc/40/93/01/426409301.db2.gz BWGNYHDPBPOJFV-UHFFFAOYSA-N -1 1 317.736 2.928 20 0 DFADMM O=C(Cc1cnn(-c2ccccc2)c1)Nc1ccc(F)cc1[O-] ZINC000340326808 268964367 /nfs/dbraw/zinc/96/43/67/268964367.db2.gz FFALJIABKUTCKI-UHFFFAOYSA-N -1 1 311.316 2.898 20 0 DFADMM C[C@H](NC(=O)c1cncc([O-])c1)c1cccc(N2CCCC2)c1 ZINC000176848084 426419405 /nfs/dbraw/zinc/41/94/05/426419405.db2.gz BNSROOFGXXYQGO-ZDUSSCGKSA-N -1 1 311.385 2.878 20 0 DFADMM O=S(=O)([N-]CCCOCC1CC1)c1cc(Cl)ccc1F ZINC000340723212 269004584 /nfs/dbraw/zinc/00/45/84/269004584.db2.gz DFYPVTDBQCTSFI-UHFFFAOYSA-N -1 1 321.801 2.574 20 0 DFADMM Cc1csc(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)n1 ZINC000340862939 269023533 /nfs/dbraw/zinc/02/35/33/269023533.db2.gz PRNNKAVDXHNILR-UHFFFAOYSA-N -1 1 320.798 2.723 20 0 DFADMM Cc1n[nH]c([N-]S(=O)(=O)c2cccc3ccccc32)c1C ZINC000123798109 426453709 /nfs/dbraw/zinc/45/37/09/426453709.db2.gz DZAGUQKFGMWMIQ-UHFFFAOYSA-N -1 1 301.371 2.981 20 0 DFADMM C[C@H](CC1CCCCC1)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155489555 426473303 /nfs/dbraw/zinc/47/33/03/426473303.db2.gz FOULIKUTEKDYCR-TZMCWYRMSA-N -1 1 305.426 2.512 20 0 DFADMM CCCc1cc([N-]S(=O)(=O)c2cccc3cccnc32)n[nH]1 ZINC000177750409 426514684 /nfs/dbraw/zinc/51/46/84/426514684.db2.gz GOCVKIUERXVMNT-UHFFFAOYSA-N -1 1 316.386 2.711 20 0 DFADMM COCC[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccc(C)o1 ZINC000272508561 426542493 /nfs/dbraw/zinc/54/24/93/426542493.db2.gz QHWZXKLOFCLZNV-CQSZACIVSA-N -1 1 307.321 2.940 20 0 DFADMM CC(C)(C)OCc1cc(C(=O)[N-]c2cccc3nonc32)no1 ZINC000288913654 426550641 /nfs/dbraw/zinc/55/06/41/426550641.db2.gz UIFKBDJMQCSCNX-UHFFFAOYSA-N -1 1 316.317 2.778 20 0 DFADMM CCOc1cc(C(=O)N2C[C@@H](C)OC[C@@H]2C)cc(Cl)c1[O-] ZINC000186577881 426555440 /nfs/dbraw/zinc/55/54/40/426555440.db2.gz YWIWNUNNUZSKSI-VHSXEESVSA-N -1 1 313.781 2.694 20 0 DFADMM O=S(=O)([N-]CCC[C@@H]1CCCCO1)c1cccc(F)c1F ZINC000186173133 426490821 /nfs/dbraw/zinc/49/08/21/426490821.db2.gz GFARGBYYJMQBCZ-NSHDSACASA-N -1 1 319.373 2.592 20 0 DFADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(CC)(CC)CC)o1 ZINC000177515035 426491667 /nfs/dbraw/zinc/49/16/67/426491667.db2.gz CVRGHHPEQUAHJO-UHFFFAOYSA-N -1 1 317.407 2.703 20 0 DFADMM C[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1F)c1nccs1 ZINC000186692865 426578628 /nfs/dbraw/zinc/57/86/28/426578628.db2.gz NKWKOVYBFJXEHJ-QMMMGPOBSA-N -1 1 318.370 2.503 20 0 DFADMM O=C(NC[C@@H]1CCSC1)c1cc(Br)ccc1[O-] ZINC000229695465 426637909 /nfs/dbraw/zinc/63/79/09/426637909.db2.gz KVAOGSZNHHREQO-QMMMGPOBSA-N -1 1 316.220 2.638 20 0 DFADMM O=C(NC[C@H]1CCSC1)c1cc(Br)ccc1[O-] ZINC000229695469 426639925 /nfs/dbraw/zinc/63/99/25/426639925.db2.gz KVAOGSZNHHREQO-MRVPVSSYSA-N -1 1 316.220 2.638 20 0 DFADMM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000265503174 426647383 /nfs/dbraw/zinc/64/73/83/426647383.db2.gz LCZPZADMXWNMJZ-ZSDNHXBWSA-N -1 1 317.410 2.527 20 0 DFADMM O=C(NCC1(c2ccccc2)CCC1)C(=O)c1ccc([O-])cc1 ZINC000280816375 426662003 /nfs/dbraw/zinc/66/20/03/426662003.db2.gz RSTULLMEMMSTKZ-UHFFFAOYSA-N -1 1 309.365 2.813 20 0 DFADMM CCC(CC)c1nnc(NC(=O)C(=O)c2ccc([O-])cc2)s1 ZINC000280831940 426665333 /nfs/dbraw/zinc/66/53/33/426665333.db2.gz TVACHMLOHIAFBV-UHFFFAOYSA-N -1 1 319.386 2.969 20 0 DFADMM CCc1ccccc1S(=O)(=O)[N-]c1cc(CO)ccc1C ZINC000187467345 426666393 /nfs/dbraw/zinc/66/63/93/426666393.db2.gz FONHTMCYDBQGNW-UHFFFAOYSA-N -1 1 305.399 2.851 20 0 DFADMM O=C(NCCc1nc2cc(F)ccc2[nH]1)c1c([O-])cccc1F ZINC000187524728 426668738 /nfs/dbraw/zinc/66/87/38/426668738.db2.gz QFGNCLLMANTMRX-UHFFFAOYSA-N -1 1 317.295 2.519 20 0 DFADMM C[C@H](CO[N-]C(=O)[C@H](C)c1ccccc1)NC(=O)OC(C)(C)C ZINC000273555258 426685007 /nfs/dbraw/zinc/68/50/07/426685007.db2.gz VMZOHODWTNPHEO-CHWSQXEVSA-N -1 1 322.405 2.751 20 0 DFADMM COc1cccc(F)c1[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000187052561 426624705 /nfs/dbraw/zinc/62/47/05/426624705.db2.gz LRVBGPYACXJXDZ-UHFFFAOYSA-N -1 1 323.345 2.838 20 0 DFADMM CCn1nc(C)c(S(=O)(=O)[N-]c2cccc(F)c2F)c1C ZINC000265893235 426704823 /nfs/dbraw/zinc/70/48/23/426704823.db2.gz 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CC(=O)c1ccsc1[N-]S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000427352251 429445067 /nfs/dbraw/zinc/44/50/67/429445067.db2.gz MPILJHMZMLRWOX-NXEZZACHSA-N -1 1 316.448 2.585 20 0 DFADMM C[C@]1(c2ccc(F)cc2)CCN(C(=O)c2cncc([O-])c2)C1 ZINC000366475121 429459542 /nfs/dbraw/zinc/45/95/42/429459542.db2.gz LZWMWOOEMJXJQW-KRWDZBQOSA-N -1 1 300.333 2.730 20 0 DFADMM Cc1ccc2nc([N-]S(=O)(=O)c3cc(F)cc(F)c3)[nH]c2c1 ZINC000427627144 429460844 /nfs/dbraw/zinc/46/08/44/429460844.db2.gz XOGWGTNWELVCKK-UHFFFAOYSA-N -1 1 323.324 2.950 20 0 DFADMM O=S(=O)(Cc1ccccc1)[N-]c1ccc(OC(F)F)cn1 ZINC000427642900 429461785 /nfs/dbraw/zinc/46/17/85/429461785.db2.gz USOTXJFFVULNAH-UHFFFAOYSA-N -1 1 314.313 2.625 20 0 DFADMM O=C(N[C@H]1CCC[C@H]1OCc1ccccc1)c1ncccc1[O-] ZINC000427770193 429469464 /nfs/dbraw/zinc/46/94/64/429469464.db2.gz XFKNKDRLLOPCNG-GOEBONIOSA-N -1 1 312.369 2.655 20 0 DFADMM COc1ccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1O ZINC000426729414 429412002 /nfs/dbraw/zinc/41/20/02/429412002.db2.gz CQCMDQVKCHIYNB-HNNXBMFYSA-N -1 1 321.760 2.970 20 0 DFADMM CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)c1ncccc1[O-] ZINC000428012320 429483365 /nfs/dbraw/zinc/48/33/65/429483365.db2.gz DJUZCRHOWQHGLX-BONVTDFDSA-N -1 1 320.776 2.947 20 0 DFADMM COC[C@@H](NC(=O)c1ncc(C)cc1[O-])c1ccc(Cl)cc1 ZINC000428073568 429488646 /nfs/dbraw/zinc/48/86/46/429488646.db2.gz XILXZXKDQNTRHE-CYBMUJFWSA-N -1 1 320.776 2.867 20 0 DFADMM CNC(=O)c1ccc(/C=C/C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000492248931 429494640 /nfs/dbraw/zinc/49/46/40/429494640.db2.gz OKIMUFSRZNQAQZ-RUDMXATFSA-N -1 1 314.316 2.543 20 0 DFADMM Cc1cnc(C(=O)N2CC[C@]3(C2)CCc2ccccc2O3)c([O-])c1 ZINC000520314442 429509965 /nfs/dbraw/zinc/50/99/65/429509965.db2.gz WFPCXFLGCBBYHQ-IBGZPJMESA-N -1 1 324.380 2.706 20 0 DFADMM CSc1nc(C)c(CCC(=O)N2CCCC23CCC3)c(=O)[n-]1 ZINC000366774583 429510385 /nfs/dbraw/zinc/51/03/85/429510385.db2.gz JKMCOJRQWJBKPQ-UHFFFAOYSA-N -1 1 321.446 2.690 20 0 DFADMM COc1ccc(C2CCN(C(=O)c3cncc([O-])c3)CC2)cc1 ZINC000366964193 429548775 /nfs/dbraw/zinc/54/87/75/429548775.db2.gz SERBGXDVJHHLKR-UHFFFAOYSA-N -1 1 312.369 2.816 20 0 DFADMM O=C([O-])c1coc(CN2CCC[C@H]2Cc2ccc(F)cc2)n1 ZINC000521447397 429553448 /nfs/dbraw/zinc/55/34/48/429553448.db2.gz XYDSXJHXDJEPHW-ZDUSSCGKSA-N -1 1 304.321 2.719 20 0 DFADMM CSc1nc(C)c(CCC(=O)N[C@@H]2C[C@@]2(C)C(C)C)c(=O)[n-]1 ZINC000458110030 429581051 /nfs/dbraw/zinc/58/10/51/429581051.db2.gz OPVLVVLYHJLRME-WBMJQRKESA-N -1 1 323.462 2.696 20 0 DFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1C[C@@]1(C)C(C)C ZINC000458121183 429583733 /nfs/dbraw/zinc/58/37/33/429583733.db2.gz XDSNTCBQJCOQPH-DIFFPNOSSA-N -1 1 305.422 2.953 20 0 DFADMM CO[C@H]1CCN(Cc2ccc(Cl)cc2F)[C@H](C(=O)[O-])C1 ZINC000521070957 429537965 /nfs/dbraw/zinc/53/79/65/429537965.db2.gz VPTUXVDUMHGFNY-AAEUAGOBSA-N -1 1 301.745 2.543 20 0 DFADMM CCOc1cc(C(=O)N[C@@H]2CCO[C@H]2CC)cc(Cl)c1[O-] ZINC000458295614 429615260 /nfs/dbraw/zinc/61/52/60/429615260.db2.gz GNACSTJVZSEEHA-NEPJUHHUSA-N -1 1 313.781 2.742 20 0 DFADMM C[C@H](Cc1ccsc1)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000523110256 429598881 /nfs/dbraw/zinc/59/88/81/429598881.db2.gz LNODAVASGNWEBC-SECBINFHSA-N -1 1 317.382 2.936 20 0 DFADMM O=C(NC[C@H]1OCCc2ccccc21)c1c(F)ccc([O-])c1F ZINC000367671106 429696722 /nfs/dbraw/zinc/69/67/22/429696722.db2.gz ODOWWUAGFZWODE-CQSZACIVSA-N -1 1 319.307 2.714 20 0 DFADMM Cc1ccccc1-c1noc([C@H](C)N(C)CCCC(=O)[O-])n1 ZINC000430644094 429704545 /nfs/dbraw/zinc/70/45/45/429704545.db2.gz AFVBKIAIJIBUIM-LBPRGKRZSA-N -1 1 303.362 2.903 20 0 DFADMM CC[C@@H](O)[C@H](CC)Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000450858587 429715542 /nfs/dbraw/zinc/71/55/42/429715542.db2.gz LGROKPGMHKWKGX-UONOGXRCSA-N -1 1 316.405 2.822 20 0 DFADMM CC1(C)[C@H](N=c2nc(C(F)(F)F)[n-]s2)[C@@H]2CCCO[C@H]21 ZINC000367840507 429726587 /nfs/dbraw/zinc/72/65/87/429726587.db2.gz GYOSEQIOLRYTNF-XLPZGREQSA-N -1 1 307.341 2.594 20 0 DFADMM CC(C)(C)c1nc(CN2CCC(c3n[n-]c(=O)o3)CC2)cs1 ZINC000450915028 429728826 /nfs/dbraw/zinc/72/88/26/429728826.db2.gz OSLIPYARFLNFQV-UHFFFAOYSA-N -1 1 322.434 2.909 20 0 DFADMM Cn1[n-]cc2c(=NC(=O)/C=C\c3cc4ccccc4o3)ccnc1-2 ZINC000493616067 429796236 /nfs/dbraw/zinc/79/62/36/429796236.db2.gz KKJILYCZUKPHDB-CDFNMPCLSA-N -1 1 318.336 2.740 20 0 DFADMM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2sccc2Cl)CCO1 ZINC000451371651 429819219 /nfs/dbraw/zinc/81/92/19/429819219.db2.gz DXPCKVNIWFMAFQ-GXSJLCMTSA-N -1 1 323.867 2.883 20 0 DFADMM O=S(=O)([N-]C[C@H]1CCCCS1)c1sccc1Cl ZINC000451387601 429821350 /nfs/dbraw/zinc/82/13/50/429821350.db2.gz DYLVPUQOJOLNNA-MRVPVSSYSA-N -1 1 311.881 2.966 20 0 DFADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc(F)ccc1Cl ZINC000432410549 429821456 /nfs/dbraw/zinc/82/14/56/429821456.db2.gz PVGLECXPCJHCQD-UHFFFAOYSA-N -1 1 308.622 2.868 20 0 DFADMM O=C(NC1CCC1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000368355644 429836730 /nfs/dbraw/zinc/83/67/30/429836730.db2.gz YIALXYVVCNZOCL-UHFFFAOYSA-N -1 1 302.374 2.549 20 0 DFADMM Cc1nc([C@H](C)N=c2nc(-c3ccccc3C)[n-]s2)n[nH]1 ZINC000528018836 429837231 /nfs/dbraw/zinc/83/72/31/429837231.db2.gz NPTYWZOKFKVPRK-VIFPVBQESA-N -1 1 300.391 2.535 20 0 DFADMM O=S(=O)([N-][C@H]1CC[C@H](F)C1)c1cc2cc(F)ccc2o1 ZINC000451555448 429854044 /nfs/dbraw/zinc/85/40/44/429854044.db2.gz RXWLKEZRMXDPEG-QWRGUYRKSA-N -1 1 301.314 2.741 20 0 DFADMM CC[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)C(F)F ZINC000451638154 429865434 /nfs/dbraw/zinc/86/54/34/429865434.db2.gz ZGPBCVUXILOLSO-DTWKUNHWSA-N -1 1 305.337 2.775 20 0 DFADMM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000528544838 429898738 /nfs/dbraw/zinc/89/87/38/429898738.db2.gz AJVHLFVMAYXOOM-JNIYBQFBSA-N -1 1 309.387 2.523 20 0 DFADMM CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1Cl)OC ZINC000451677185 429870788 /nfs/dbraw/zinc/87/07/88/429870788.db2.gz GKDIMEGSLIBPFM-JOYOIKCWSA-N -1 1 323.817 2.819 20 0 DFADMM CCc1nc(=N[C@H]2c3ccccc3CC[C@@H]2N(C)C)s[n-]1 ZINC000362319559 276684819 /nfs/dbraw/zinc/68/48/19/276684819.db2.gz NPBQIQSWSLOFSR-ZFWWWQNUSA-N -1 1 302.447 2.552 20 0 DFADMM Cc1cc(C(F)F)oc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000624606822 429936853 /nfs/dbraw/zinc/93/68/53/429936853.db2.gz VUHNNGAVBPSEMT-UHFFFAOYSA-N -1 1 309.244 3.567 20 0 DFADMM O=C(c1ncccc1[O-])N1CCC[C@@H](COc2ccccc2)C1 ZINC000369446432 429944798 /nfs/dbraw/zinc/94/47/98/429944798.db2.gz DHZHYQJTRFCKKG-CQSZACIVSA-N -1 1 312.369 2.718 20 0 DFADMM COC(=O)c1ccc([O-])c(NC(=O)C[C@@H](C)n2cccc2)c1 ZINC000574293881 430029966 /nfs/dbraw/zinc/02/99/66/430029966.db2.gz QEGOGAGRNGWWGP-LLVKDONJSA-N -1 1 302.330 2.570 20 0 DFADMM CCc1c(=O)n(CCOC)[n-]c1-c1cccc(C(F)(F)F)c1 ZINC000634596264 430048898 /nfs/dbraw/zinc/04/88/98/430048898.db2.gz AQCZYESELLWRSC-LBPRGKRZSA-N -1 1 314.307 2.924 20 0 DFADMM CC(C)c1c(Cc2ccccc2)[n-]n(C[C@@H]2CCCO2)c1=O ZINC000634598552 430049104 /nfs/dbraw/zinc/04/91/04/430049104.db2.gz NNYALFGVJNGOBT-RDJZCZTQSA-N -1 1 300.402 2.879 20 0 DFADMM O=C(NCC[C@H]1CCCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000529602086 430037182 /nfs/dbraw/zinc/03/71/82/430037182.db2.gz WYWXSHQXBLWIKQ-SNVBAGLBSA-N -1 1 317.307 2.958 20 0 DFADMM CC1(C)C[C@@H](NC(=O)c2cn[nH]c2-c2ccccn2)C(C)(C)O1 ZINC000558956928 429994906 /nfs/dbraw/zinc/99/49/06/429994906.db2.gz IANXKYMXFMLCAA-CYBMUJFWSA-N -1 1 314.389 2.548 20 0 DFADMM NC(=O)[C@H]1CC[C@@H]1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529539702 430023446 /nfs/dbraw/zinc/02/34/46/430023446.db2.gz SPKMRLJUPXBOFN-QWRGUYRKSA-N -1 1 318.760 2.649 20 0 DFADMM O=S(=O)(CCOCC1CCC1)[N-]c1cc(F)c(F)cc1F ZINC000634789057 430114802 /nfs/dbraw/zinc/11/48/02/430114802.db2.gz VYMFNFLWFBBJJL-UHFFFAOYSA-N -1 1 323.336 2.662 20 0 DFADMM Cc1ccc(-c2cc(NC(=O)c3c(F)ccc([O-])c3F)[nH]n2)o1 ZINC000561987504 430104513 /nfs/dbraw/zinc/10/45/13/430104513.db2.gz ULIDTODILBFJEZ-UHFFFAOYSA-N -1 1 319.267 3.214 20 0 DFADMM CCc1c(=O)n(C[C@H](C)O)[n-]c1-c1cccc(C(F)(F)F)c1 ZINC000634613079 430051662 /nfs/dbraw/zinc/05/16/62/430051662.db2.gz OPYMLQWBTOXNTB-CABZTGNLSA-N -1 1 314.307 2.659 20 0 DFADMM COc1cc(C(=O)[O-])ccc1N1N=C2CC[C@H](C)C[C@H]2C1=O ZINC000634612285 430052056 /nfs/dbraw/zinc/05/20/56/430052056.db2.gz UFBVPXJBOGKHCH-GXSJLCMTSA-N -1 1 302.330 2.532 20 0 DFADMM COc1cc(C(=O)[O-])ccc1-n1[nH]c2c(c1=O)C[C@@H](C)CC2 ZINC000634612285 430052058 /nfs/dbraw/zinc/05/20/58/430052058.db2.gz UFBVPXJBOGKHCH-GXSJLCMTSA-N -1 1 302.330 2.532 20 0 DFADMM Cc1cccc(-n2[n-]c3c(c2=O)CCN(Cc2ccccc2)C3)n1 ZINC000634613206 430053664 /nfs/dbraw/zinc/05/36/64/430053664.db2.gz SHYYWMRFDQQPNN-INIZCTEOSA-N -1 1 320.396 2.615 20 0 DFADMM CCc1[n-]n(-c2nccc(N(CC)CC)n2)c(=O)c1C(C)C ZINC000634617683 430053872 /nfs/dbraw/zinc/05/38/72/430053872.db2.gz VIGFKYCWYZIFBN-AWEZNQCLSA-N -1 1 303.410 2.708 20 0 DFADMM CCc1[n-]n(-c2nnc(-c3ccccn3)s2)c(=O)c1C(C)C ZINC000634624131 430057343 /nfs/dbraw/zinc/05/73/43/430057343.db2.gz YGKOEEZGPBZPNY-LBPRGKRZSA-N -1 1 315.402 2.985 20 0 DFADMM CCc1c(=O)n(C[C@H](O)CC)[n-]c1-c1ccc(F)cc1Cl ZINC000634627531 430057700 /nfs/dbraw/zinc/05/77/00/430057700.db2.gz FJOBZYAUDVTHMA-GHMZBOCLSA-N -1 1 312.772 2.823 20 0 DFADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc(C)ns2)[nH]n1 ZINC000634656554 430067576 /nfs/dbraw/zinc/06/75/76/430067576.db2.gz SQUNSKJMNGJJCQ-MRVPVSSYSA-N -1 1 314.436 2.879 20 0 DFADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2nc(C3CCC3)no2)C1 ZINC000634692945 430081963 /nfs/dbraw/zinc/08/19/63/430081963.db2.gz NEPFYHOZAVFPNE-GFCCVEGCSA-N -1 1 307.394 2.660 20 0 DFADMM O=C([O-])C12CCC(CC1)N2Cc1ncc(-c2cccs2)o1 ZINC000634697060 430082445 /nfs/dbraw/zinc/08/24/45/430082445.db2.gz YVLMIMZJJLZAAR-UHFFFAOYSA-N -1 1 304.371 2.985 20 0 DFADMM O=C([O-])C12CCC(CC1)N2Cc1csc(-c2ccoc2)n1 ZINC000634697050 430083482 /nfs/dbraw/zinc/08/34/82/430083482.db2.gz YKHRZNIAXYRTJF-UHFFFAOYSA-N -1 1 304.371 2.985 20 0 DFADMM CCc1nc(SCc2nc(-c3ccco3)no2)[n-]c(=O)c1C ZINC000580844813 430156687 /nfs/dbraw/zinc/15/66/87/430156687.db2.gz QIFQKYKWFYJMDC-UHFFFAOYSA-N -1 1 318.358 2.988 20 0 DFADMM Cc1cnc(S[C@H](C)C(=O)N(C)Cc2ccccc2)[n-]c1=O ZINC000580963520 430166627 /nfs/dbraw/zinc/16/66/27/430166627.db2.gz OXNRYPSMKCEXBM-GFCCVEGCSA-N 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/nfs/dbraw/zinc/25/10/85/430251085.db2.gz WOFQAJSKCMIVKK-CQSZACIVSA-N -1 1 317.389 2.758 20 0 DFADMM COc1ccc([C@H]2CCN(Cc3nc(C(=O)[O-])cs3)C2)cc1 ZINC000566358350 430252718 /nfs/dbraw/zinc/25/27/18/430252718.db2.gz ICENIGFOWLKSOK-LBPRGKRZSA-N -1 1 318.398 2.839 20 0 DFADMM CSc1ccccc1[C@H](C)NCc1cc(C(=O)[O-])nn1C ZINC000635313857 430253139 /nfs/dbraw/zinc/25/31/39/430253139.db2.gz PBMSWFFBNUTCCP-JTQLQIEISA-N -1 1 305.403 2.691 20 0 DFADMM COc1ccc(OCCN(C)Cc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000566360120 430253214 /nfs/dbraw/zinc/25/32/14/430253214.db2.gz QESVZYXLUAVREL-UHFFFAOYSA-N -1 1 319.357 2.806 20 0 DFADMM O=C([O-])[C@H]1CCCN(Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000635322011 430255695 /nfs/dbraw/zinc/25/56/95/430255695.db2.gz AXHQQGLELDBLRS-JTQLQIEISA-N -1 1 321.327 2.652 20 0 DFADMM CCc1oc(C(=O)OC)cc1CSc1ncc(C)c(=O)[n-]1 ZINC000582133224 430270522 /nfs/dbraw/zinc/27/05/22/430270522.db2.gz NPHDTKVWEHYDCX-UHFFFAOYSA-N -1 1 308.359 2.725 20 0 DFADMM C[C@H](CN(C)Cc1ccc(OCC(=O)[O-])cc1)C(F)(F)F ZINC000567172911 430277742 /nfs/dbraw/zinc/27/77/42/430277742.db2.gz DCQFDFKPUHXICK-SNVBAGLBSA-N -1 1 305.296 2.780 20 0 DFADMM CC[C@H]1CCCC[C@@H]1C(=O)NCc1cc(=O)[n-]c(SC)n1 ZINC000640655597 430226267 /nfs/dbraw/zinc/22/62/67/430226267.db2.gz OEJSVYGKGPRDLJ-JQWIXIFHSA-N -1 1 309.435 2.737 20 0 DFADMM CSc1nc(CNC(=O)c2occc2C(C)C)cc(=O)[n-]1 ZINC000640655319 430226299 /nfs/dbraw/zinc/22/62/99/430226299.db2.gz LBVQXOBDUNLDPW-UHFFFAOYSA-N -1 1 307.375 2.551 20 0 DFADMM CSc1nc(CNC(=O)[C@H]2CCCC[C@@H]2C2CC2)cc(=O)[n-]1 ZINC000640654824 430226579 /nfs/dbraw/zinc/22/65/79/430226579.db2.gz ASVUVQXCRMIOKI-OLZOCXBDSA-N -1 1 321.446 2.737 20 0 DFADMM CSc1nc(CNC(=O)[C@@H]2CCCC[C@H]2C2CC2)cc(=O)[n-]1 ZINC000640654825 430227126 /nfs/dbraw/zinc/22/71/26/430227126.db2.gz ASVUVQXCRMIOKI-QWHCGFSZSA-N -1 1 321.446 2.737 20 0 DFADMM CSc1nc(CNC(=O)[C@@H]2CCCC[C@@H]2C2CC2)cc(=O)[n-]1 ZINC000640654823 430227203 /nfs/dbraw/zinc/22/72/03/430227203.db2.gz ASVUVQXCRMIOKI-CHWSQXEVSA-N -1 1 321.446 2.737 20 0 DFADMM CSc1nc(CNC(=O)C[C@@H]2CCC[C@H](C)C2)cc(=O)[n-]1 ZINC000640659547 430228437 /nfs/dbraw/zinc/22/84/37/430228437.db2.gz YSGPTMVJLWIYPH-WDEREUQCSA-N -1 1 309.435 2.737 20 0 DFADMM CSc1nc(CNC(=O)c2sccc2C2CC2)cc(=O)[n-]1 ZINC000640657139 430229024 /nfs/dbraw/zinc/22/90/24/430229024.db2.gz BCZMIHOKAJWUQV-UHFFFAOYSA-N -1 1 321.427 2.773 20 0 DFADMM C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000565832991 430230868 /nfs/dbraw/zinc/23/08/68/430230868.db2.gz GLJXZUBGEFNPBK-JTNHKYCSSA-N -1 1 324.808 2.710 20 0 DFADMM O=S(=O)([N-]c1cnc2c(c1)CCCC2)c1ccc(F)cc1 ZINC000542929527 430231547 /nfs/dbraw/zinc/23/15/47/430231547.db2.gz YYUIKSNNTBRCIT-UHFFFAOYSA-N -1 1 306.362 2.900 20 0 DFADMM Cc1ccc(C)c([C@@H]2CCCN2C(=O)CCCc2nn[n-]n2)c1 ZINC000635690718 430349537 /nfs/dbraw/zinc/34/95/37/430349537.db2.gz WDGOQESABUEELP-HNNXBMFYSA-N -1 1 313.405 2.503 20 0 DFADMM CO[C@H]1C[C@H](CC(=O)[O-])N(Cc2nc(C(C)(C)C)cs2)C1 ZINC000567905749 430294311 /nfs/dbraw/zinc/29/43/11/430294311.db2.gz PLZXQWIDNKOMEV-MNOVXSKESA-N -1 1 312.435 2.505 20 0 DFADMM Cc1ccc([C@@H](CN=c2[n-]c(C3CCC3)no2)N(C)C)cc1 ZINC000568025182 430307563 /nfs/dbraw/zinc/30/75/63/430307563.db2.gz BLRBDPFTDJDXIH-OAHLLOKOSA-N -1 1 300.406 2.782 20 0 DFADMM Cc1c(=O)[n-]c(SCc2cn(C)nn2)nc1-c1ccccc1 ZINC000545227814 430307589 /nfs/dbraw/zinc/30/75/89/430307589.db2.gz IOJIFAGTUXTNOG-UHFFFAOYSA-N -1 1 313.386 2.578 20 0 DFADMM CC[C@H](NC(=O)CCCc1nn[n-]n1)c1ccc(Cl)s1 ZINC000635568411 430309396 /nfs/dbraw/zinc/30/93/96/430309396.db2.gz HNIKUPSCGBUTGO-QMMMGPOBSA-N -1 1 313.814 2.505 20 0 DFADMM CSc1nc(C)c(CCc2nc([C@@H]3C[C@@H]3C)no2)c(=O)[n-]1 ZINC000545773021 430328236 /nfs/dbraw/zinc/32/82/36/430328236.db2.gz BOVXTTBBTXBZSJ-OIBJUYFYSA-N -1 1 306.391 2.504 20 0 DFADMM COc1cc(C(=O)NCc2oc(C)nc2C)cc(Cl)c1[O-] ZINC000568212270 430332301 /nfs/dbraw/zinc/33/23/01/430332301.db2.gz YBINZNDAVICXIV-UHFFFAOYSA-N -1 1 310.737 2.589 20 0 DFADMM CC[C@H](C(=O)N1CCC[C@@H](c2nn[n-]n2)C1)C1CCC(C)CC1 ZINC000546602649 430357948 /nfs/dbraw/zinc/35/79/48/430357948.db2.gz CFPSLYRZVMWTMZ-CVSAEHQPSA-N -1 1 319.453 2.758 20 0 DFADMM CC[N@@H+](CCOc1ccccc1C)Cc1ccc(C(=O)[O-])cn1 ZINC000583155373 430370713 /nfs/dbraw/zinc/37/07/13/430370713.db2.gz WKDZDJPBXVFYDI-UHFFFAOYSA-N -1 1 314.385 2.989 20 0 DFADMM C[C@H]1CN(Cc2oc(-c3ccccc3)nc2C(=O)[O-])CCS1 ZINC000568641450 430377438 /nfs/dbraw/zinc/37/74/38/430377438.db2.gz KVURAYYJUYXMJL-NSHDSACASA-N -1 1 318.398 2.977 20 0 DFADMM CC(C)C[C@@H](CNC(=O)c1n[nH]c2ccc(Cl)cc21)C(=O)[O-] ZINC000583262669 430379657 /nfs/dbraw/zinc/37/96/57/430379657.db2.gz CEPIZZCNEYJFCY-VIFPVBQESA-N -1 1 323.780 2.693 20 0 DFADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](F)C2)cc1F ZINC000568860707 430399118 /nfs/dbraw/zinc/39/91/18/430399118.db2.gz FXLBBRYAWPQEAK-VHSXEESVSA-N -1 1 307.337 2.832 20 0 DFADMM CCCC[C@H](C(=O)[O-])N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000568890998 430403470 /nfs/dbraw/zinc/40/34/70/430403470.db2.gz QZMKOPBWIMIKTO-HUUCEWRRSA-N -1 1 313.344 2.982 20 0 DFADMM CC(C)OCc1ccccc1CNC(=O)c1ncccc1[O-] ZINC000547647242 430407786 /nfs/dbraw/zinc/40/77/86/430407786.db2.gz KXVUQPVUCQPNDP-UHFFFAOYSA-N -1 1 300.358 2.642 20 0 DFADMM CC(C)Oc1ccc(CCNC(=O)c2ncccc2[O-])cc1 ZINC000547971808 430433637 /nfs/dbraw/zinc/43/36/37/430433637.db2.gz DGOAOMMRTXIVEM-UHFFFAOYSA-N -1 1 300.358 2.547 20 0 DFADMM CC(C)CN(C(=O)CCCc1nn[n-]n1)c1cccc(Cl)c1 ZINC000636005107 430436793 /nfs/dbraw/zinc/43/67/93/430436793.db2.gz CGNPWBFDCYZMEG-UHFFFAOYSA-N -1 1 321.812 2.865 20 0 DFADMM CC(C)(C)c1cccc(C(=O)NC2(c3nn[n-]n3)CCCC2)c1 ZINC000569256739 430437494 /nfs/dbraw/zinc/43/74/94/430437494.db2.gz MGSDQQKBADWQBB-UHFFFAOYSA-N -1 1 313.405 2.697 20 0 DFADMM Oc1cccnc1C[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000569290277 430439385 /nfs/dbraw/zinc/43/93/85/430439385.db2.gz KYBIFNVQIPOFIF-UHFFFAOYSA-N -1 1 315.392 2.634 20 0 DFADMM COc1ncccc1[N-]S(=O)(=O)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000641683177 430442123 /nfs/dbraw/zinc/44/21/23/430442123.db2.gz VRJNPUJBQGEPQB-GXTWGEPZSA-N -1 1 322.361 2.527 20 0 DFADMM CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1cc(F)c(F)c(F)c1 ZINC000641684625 430442403 /nfs/dbraw/zinc/44/24/03/430442403.db2.gz RDRWYSNUKQNDRB-NWDGAFQWSA-N -1 1 323.336 2.803 20 0 DFADMM CCCOc1cc(C)ccc1[N-]S(=O)(=O)C1(COC)CC1 ZINC000641683151 430442447 /nfs/dbraw/zinc/44/24/47/430442447.db2.gz VPECJFYCUHZPHO-UHFFFAOYSA-N -1 1 313.419 2.705 20 0 DFADMM C[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(F)F ZINC000641702688 430445005 /nfs/dbraw/zinc/44/50/05/430445005.db2.gz TWFRNQUNBFXRNX-LURJTMIESA-N -1 1 303.252 2.637 20 0 DFADMM C[C@@H]([N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1)C(F)F ZINC000641702836 430445845 /nfs/dbraw/zinc/44/58/45/430445845.db2.gz XBAIRQQOTJMYCN-ZCFIWIBFSA-N -1 1 301.717 2.552 20 0 DFADMM C[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1)C(F)F ZINC000641703046 430446233 /nfs/dbraw/zinc/44/62/33/430446233.db2.gz ZNGXOQOZFVKGDF-ZCFIWIBFSA-N -1 1 301.717 2.552 20 0 DFADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1CCCC[C@@H]1C1CC1 ZINC000569366123 430447631 /nfs/dbraw/zinc/44/76/31/430447631.db2.gz QTJBGBGVYWJHNY-BDAKNGLRSA-N -1 1 302.300 2.978 20 0 DFADMM Cc1cccc(C)c1NC(=O)CN1CCC[C@@H](CC(=O)[O-])CC1 ZINC000641793845 430473985 /nfs/dbraw/zinc/47/39/85/430473985.db2.gz NQSLHHSFKZQAEC-OAHLLOKOSA-N -1 1 318.417 2.819 20 0 DFADMM CSc1cc(Cl)ccc1NC(=O)CCCc1nn[n-]n1 ZINC000636158457 430476357 /nfs/dbraw/zinc/47/63/57/430476357.db2.gz QFVOGIBPJUERRJ-UHFFFAOYSA-N -1 1 311.798 2.536 20 0 DFADMM Cc1ccccc1NC(=O)[C@H](C)N1CCC[C@@H](CC(=O)[O-])CC1 ZINC000641796560 430477216 /nfs/dbraw/zinc/47/72/16/430477216.db2.gz ZLOPBMOUSIYFQZ-LSDHHAIUSA-N -1 1 318.417 2.899 20 0 DFADMM C[C@@]1(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CCNC1=O ZINC000636242808 430492806 /nfs/dbraw/zinc/49/28/06/430492806.db2.gz LDSPUQSKCIGCDJ-MRXNPFEDSA-N -1 1 318.760 2.664 20 0 DFADMM CCOC(=O)c1cnc([N-]c2ccn(CCC(C)C)n2)s1 ZINC000596189715 430509396 /nfs/dbraw/zinc/50/93/96/430509396.db2.gz PZKUQDCQHDNJHE-UHFFFAOYSA-N -1 1 308.407 3.306 20 0 DFADMM CCn1c(CN2CCC[C@](C)(C(=O)[O-])C2)nc2cc(F)ccc21 ZINC000570402865 430541177 /nfs/dbraw/zinc/54/11/77/430541177.db2.gz CRJHFHVQSCGKHQ-KRWDZBQOSA-N -1 1 319.380 2.882 20 0 DFADMM CCOc1cc(C(=O)N2CC(OC(C)C)C2)cc(Cl)c1[O-] ZINC000636327743 430516051 /nfs/dbraw/zinc/51/60/51/430516051.db2.gz QJZAYRVVHRDVAJ-UHFFFAOYSA-N -1 1 313.781 2.694 20 0 DFADMM CC(C)c1cc(C(=O)[N-]c2nnc([C@H]3CCCO3)s2)no1 ZINC000636353514 430522292 /nfs/dbraw/zinc/52/22/92/430522292.db2.gz DXIBNSVDIUNGEY-SECBINFHSA-N -1 1 308.363 2.753 20 0 DFADMM CCCC[C@H](COC)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000551493902 430556004 /nfs/dbraw/zinc/55/60/04/430556004.db2.gz NRIJZIJEBIBUQF-LLVKDONJSA-N -1 1 323.817 2.963 20 0 DFADMM C[C@@H](CC(=O)[O-])N(C)Cc1ccc(F)cc1Br ZINC000570986947 430593421 /nfs/dbraw/zinc/59/34/21/430593421.db2.gz SKDFXYSKOGQMFC-QMMMGPOBSA-N -1 1 304.159 2.883 20 0 DFADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)[C@H]1CC12CC2 ZINC000643370355 430594166 /nfs/dbraw/zinc/59/41/66/430594166.db2.gz VDCYOCFDSSOAAA-MRVPVSSYSA-N -1 1 304.737 2.569 20 0 DFADMM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)[C@H]1CC12CC2 ZINC000643370355 430594170 /nfs/dbraw/zinc/59/41/70/430594170.db2.gz VDCYOCFDSSOAAA-MRVPVSSYSA-N -1 1 304.737 2.569 20 0 DFADMM CCOC(=O)c1nc(C)[nH]c1NC(=O)[C@@H](C)Cc1ccccc1 ZINC000571835618 430655848 /nfs/dbraw/zinc/65/58/48/430655848.db2.gz CDJUFDIEWBFGJJ-NSHDSACASA-N -1 1 315.373 2.712 20 0 DFADMM CCS[C@@H]1CCC[C@H]1NC(=O)c1cn[nH]c1-c1ccccn1 ZINC000571830169 430656018 /nfs/dbraw/zinc/65/60/18/430656018.db2.gz OXNKNLYZZWYLNM-TZMCWYRMSA-N -1 1 316.430 2.876 20 0 DFADMM CC[C@@H]1CN(C(=O)c2ncc3ccccc3c2[O-])CCCO1 ZINC000643612746 430619185 /nfs/dbraw/zinc/61/91/85/430619185.db2.gz AHIFGDUAXQLIIF-CYBMUJFWSA-N -1 1 300.358 2.582 20 0 DFADMM CO[C@@H]1[C@@H](C)[C@H]([N-]S(=O)(=O)c2cc3ccccc3o2)C1(C)C ZINC000553538294 430619603 /nfs/dbraw/zinc/61/96/03/430619603.db2.gz GRUZCXQBZCXKCD-NZVBXONLSA-N -1 1 323.414 2.771 20 0 DFADMM CC(C)Oc1ccccc1CN1CCSC[C@@H]1CC(=O)[O-] ZINC000571932074 430661662 /nfs/dbraw/zinc/66/16/62/430661662.db2.gz ZFKXAIQQFVPMBN-AWEZNQCLSA-N -1 1 309.431 2.866 20 0 DFADMM O=C(CC1CCCCCC1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000571705307 430646982 /nfs/dbraw/zinc/64/69/82/430646982.db2.gz VEQKPNSCKSRYLF-UHFFFAOYSA-N -1 1 307.394 2.842 20 0 DFADMM O=C(Nc1nc(-c2cc3ccccc3o2)n[nH]1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000573057437 430699322 /nfs/dbraw/zinc/69/93/22/430699322.db2.gz MBBUBKUWYPZOKR-GDLCADMTSA-N -1 1 324.340 2.581 20 0 DFADMM Cc1ccn([C@@H](C)Cc2nc(-c3ccc([O-])cc3F)no2)n1 ZINC000664848588 430761753 /nfs/dbraw/zinc/76/17/53/430761753.db2.gz VBIYRVSMOBUQSK-JTQLQIEISA-N -1 1 302.309 2.890 20 0 DFADMM Cn1cncc1[C@H]1CCCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000644591168 430762721 /nfs/dbraw/zinc/76/27/21/430762721.db2.gz LQKPVFLYIMAKNE-CYBMUJFWSA-N -1 1 303.337 2.632 20 0 DFADMM C[C@@H]1CN(C(=O)c2c[n-]c3c(cnn3C)c2=O)[C@@H]1c1ccccc1 ZINC000179525129 288056343 /nfs/dbraw/zinc/05/63/43/288056343.db2.gz QLGUUAUEFCKNSL-ABAIWWIYSA-N -1 1 322.368 2.507 20 0 DFADMM CCc1[n-][nH]c(=NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)c1Br ZINC000651424547 430792352 /nfs/dbraw/zinc/79/23/52/430792352.db2.gz GGYJUXXQKXKAHP-KXUCPTDWSA-N -1 1 324.222 2.697 20 0 DFADMM Cc1cccc(C)c1CS(=O)(=O)[N-][C@@H]1CCCC1(F)F ZINC000645087259 430899614 /nfs/dbraw/zinc/89/96/14/430899614.db2.gz PVMRLHGQGIITRM-CYBMUJFWSA-N -1 1 303.374 2.911 20 0 DFADMM Cc1cc(F)c(S(=O)(=O)[N-]C2(C3CCC3)CC2)c(F)c1 ZINC000651871891 430899672 /nfs/dbraw/zinc/89/96/72/430899672.db2.gz HXJJRWHXJZLTMN-UHFFFAOYSA-N -1 1 301.358 2.884 20 0 DFADMM C[C@@H](COCC1CC1)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000651887708 430906130 /nfs/dbraw/zinc/90/61/30/430906130.db2.gz YEEUQJRJVBRKCB-VIFPVBQESA-N -1 1 321.801 2.573 20 0 DFADMM [O-]c1cccc(CNCc2n[nH]cc2Br)c1Cl ZINC000645156670 430917648 /nfs/dbraw/zinc/91/76/48/430917648.db2.gz UBHJDFRJJSYDNR-UHFFFAOYSA-N -1 1 316.586 2.821 20 0 DFADMM CC(C)[C@H](NC(=O)c1cc(F)ccc1[O-])C1(CO)CC=CC1 ZINC000655178406 430924575 /nfs/dbraw/zinc/92/45/75/430924575.db2.gz ZMABHIQKVDHFBK-HNNXBMFYSA-N -1 1 307.365 2.614 20 0 DFADMM CCC[C@@H]1CCC[C@H]1C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000648894399 430928080 /nfs/dbraw/zinc/92/80/80/430928080.db2.gz BVUUUZPTEVQPAR-BPLDGKMQSA-N -1 1 313.405 2.622 20 0 DFADMM C[C@H]1CN(C(=O)C(=O)c2ccc([O-])cc2)CC2(CCCCC2)O1 ZINC000655381754 430984663 /nfs/dbraw/zinc/98/46/63/430984663.db2.gz TXUKKBHYDCFTLZ-ZDUSSCGKSA-N -1 1 317.385 2.525 20 0 DFADMM C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000645427511 430998619 /nfs/dbraw/zinc/99/86/19/430998619.db2.gz RWFTZXPWRYRSNB-GXSJLCMTSA-N -1 1 322.352 2.957 20 0 DFADMM O=C(NCc1nnc(C2CC2)s1)c1ccc(Cl)cc1[O-] ZINC000665671437 430998984 /nfs/dbraw/zinc/99/89/84/430998984.db2.gz HZSQDPVTWBYCAJ-UHFFFAOYSA-N -1 1 309.778 2.705 20 0 DFADMM O=S(=O)([N-][C@@H]1CCC[C@H](C(F)(F)F)C1)c1cscn1 ZINC000645453447 431004197 /nfs/dbraw/zinc/00/41/97/431004197.db2.gz BXMHQUMHLZVKLL-JGVFFNPUSA-N -1 1 314.354 2.543 20 0 DFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000649121958 431005020 /nfs/dbraw/zinc/00/50/20/431005020.db2.gz 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ZINC000652433206 431051657 /nfs/dbraw/zinc/05/16/57/431051657.db2.gz XQIDFSFJXGCMPL-UHFFFAOYSA-N -1 1 311.385 2.895 20 0 DFADMM C[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000645692613 431052071 /nfs/dbraw/zinc/05/20/71/431052071.db2.gz VUUWZRWXDNNUMO-VHSXEESVSA-N -1 1 322.352 2.815 20 0 DFADMM COc1ccc(-c2cc(CN3CCC[C@@]3(C)C(=O)[O-])on2)cc1 ZINC000652481483 431066532 /nfs/dbraw/zinc/06/65/32/431066532.db2.gz PVGHVKGMQITREI-KRWDZBQOSA-N -1 1 316.357 2.789 20 0 DFADMM Cc1cccc2nc(CN3CCc4ccccc4[C@@H]3C(=O)[O-])cn21 ZINC000652486303 431067753 /nfs/dbraw/zinc/06/77/53/431067753.db2.gz IGPHSXDGMILHRS-GOSISDBHSA-N -1 1 321.380 2.827 20 0 DFADMM CCCCCc1cc(C(=O)N(CC(=O)[O-])CC(C)(C)C)n[nH]1 ZINC000659782362 431108910 /nfs/dbraw/zinc/10/89/10/431108910.db2.gz SCNJLXPWRXGYIQ-UHFFFAOYSA-N -1 1 309.410 2.715 20 0 DFADMM O=C([O-])c1cccc2c1CCN(CCOCC1CCCC1)C2 ZINC000659792261 431112866 /nfs/dbraw/zinc/11/28/66/431112866.db2.gz IMCAVAYGWMGVJU-UHFFFAOYSA-N -1 1 303.402 2.950 20 0 DFADMM COc1cccc(CN2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])n1 ZINC000659793629 431113601 /nfs/dbraw/zinc/11/36/01/431113601.db2.gz FIZMTJDYPDRYDE-ZBFHGGJFSA-N -1 1 318.417 2.946 20 0 DFADMM CO[C@H]1CCN(Cc2ccc(F)c(Cl)c2)[C@@H](C(=O)[O-])C1 ZINC000659794961 431114084 /nfs/dbraw/zinc/11/40/84/431114084.db2.gz HGPRPNBFWCBCGA-GXFFZTMASA-N -1 1 301.745 2.543 20 0 DFADMM O=C([O-])c1sccc1CN1CCOC(C2CC2)(C2CC2)C1 ZINC000659799627 431116564 /nfs/dbraw/zinc/11/65/64/431116564.db2.gz GHZFEXYDKDCVQU-UHFFFAOYSA-N -1 1 307.415 2.837 20 0 DFADMM Cc1ccccc1-c1cnc(CN(C)[C@H]2C[C@@H](C(=O)[O-])C2)o1 ZINC000659801029 431120256 /nfs/dbraw/zinc/12/02/56/431120256.db2.gz CUBIZCICMIIFTF-BETUJISGSA-N -1 1 300.358 2.945 20 0 DFADMM Cc1onc(CN(C)C[C@H]2CCc3ccccc32)c1C(=O)[O-] ZINC000659803462 431120715 /nfs/dbraw/zinc/12/07/15/431120715.db2.gz HXANCPSXEJPYCV-CYBMUJFWSA-N -1 1 300.358 2.843 20 0 DFADMM C[C@H]1CN(CCC(C)(C)CC(=O)[O-])C[C@H](CC(F)(F)F)O1 ZINC000659805391 431123232 /nfs/dbraw/zinc/12/32/32/431123232.db2.gz 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UAVVFFQTMHQEFX-HNNXBMFYSA-N -1 1 307.419 2.524 20 0 DFADMM CC1(C)CN(Cc2cccc([O-])c2Cl)C[C@@]2(CCOC2)O1 ZINC000294745369 529125045 /nfs/dbraw/zinc/12/50/45/529125045.db2.gz QZXRSYPJBRECDE-MRXNPFEDSA-N -1 1 311.809 2.816 20 0 DFADMM CCOc1cc(C(=O)N2CC(C(F)F)C2)cc(Cl)c1[O-] ZINC000680818034 545547376 /nfs/dbraw/zinc/54/73/76/545547376.db2.gz LSSSYVKWLBQPAE-UHFFFAOYSA-N -1 1 305.708 2.781 20 0 DFADMM C[C@@H](CNC(=O)c1ccc([O-])c(F)c1)N1CCc2ccccc21 ZINC000681018544 545582787 /nfs/dbraw/zinc/58/27/87/545582787.db2.gz MXCOJORSBHMFIR-LBPRGKRZSA-N -1 1 314.360 2.712 20 0 DFADMM Cc1cccc(C)c1OCCNC(=O)c1ccc([O-])c(F)c1 ZINC000681019045 545583012 /nfs/dbraw/zinc/58/30/12/545583012.db2.gz FUZWKPJREBRCQJ-UHFFFAOYSA-N -1 1 303.333 2.957 20 0 DFADMM C[C@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000681020094 545583960 /nfs/dbraw/zinc/58/39/60/545583960.db2.gz WYRRBKLAJIWSHN-QMMMGPOBSA-N -1 1 315.304 2.604 20 0 DFADMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc2c(c1)CC(=O)N2 ZINC000681020352 545584002 /nfs/dbraw/zinc/58/40/02/545584002.db2.gz ZSBCAKNYCFTDKZ-SECBINFHSA-N -1 1 314.316 2.517 20 0 DFADMM CN(C)c1cccc(CN(C)C(=O)c2ccc([O-])c(F)c2)c1 ZINC000681058219 545590566 /nfs/dbraw/zinc/59/05/66/545590566.db2.gz IXLFXJHQCDCOMN-UHFFFAOYSA-N -1 1 302.349 2.870 20 0 DFADMM COc1ccc(CCNC(=O)c2ccc([O-])c(F)c2)c(OC)c1 ZINC000681036473 545586234 /nfs/dbraw/zinc/58/62/34/545586234.db2.gz DHJIOFPOSVUWJT-UHFFFAOYSA-N -1 1 319.332 2.521 20 0 DFADMM Cc1nc(-c2ccc(NC(=O)c3ccc([O-])c(F)c3)cc2)n[nH]1 ZINC000681038030 545586787 /nfs/dbraw/zinc/58/67/87/545586787.db2.gz UVYMRAMGQMTMOK-UHFFFAOYSA-N -1 1 312.304 2.877 20 0 DFADMM O=C(Nc1cnn(CC(F)(F)F)c1)c1ccc([O-])c(F)c1 ZINC000681047818 545587934 /nfs/dbraw/zinc/58/79/34/545587934.db2.gz JQBKYBLIWZVFTJ-UHFFFAOYSA-N -1 1 303.215 2.542 20 0 DFADMM O=C(NCc1nc(C(F)(F)F)cs1)c1ccc([O-])c(F)c1 ZINC000681049726 545588945 /nfs/dbraw/zinc/58/89/45/545588945.db2.gz RDJSWIJYXXRQHF-UHFFFAOYSA-N -1 1 320.267 2.937 20 0 DFADMM O=C(c1ccc([O-])c(F)c1)N1CCOC[C@H]1c1ccccc1 ZINC000681051822 545589112 /nfs/dbraw/zinc/58/91/12/545589112.db2.gz HTYQCWZAJZROAC-HNNXBMFYSA-N -1 1 301.317 2.745 20 0 DFADMM COc1ccccc1O[C@H](C)CNC(=O)c1ccc([O-])c(F)c1 ZINC000681050955 545589136 /nfs/dbraw/zinc/58/91/36/545589136.db2.gz USHHDRVGEPYUJF-LLVKDONJSA-N -1 1 319.332 2.737 20 0 DFADMM Cn1cc([C@@H](NC(=O)c2ccc([O-])c(F)c2)C(C)(C)C)cn1 ZINC000681053585 545589406 /nfs/dbraw/zinc/58/94/06/545589406.db2.gz UTFHCVNPXNZWPX-CQSZACIVSA-N -1 1 305.353 2.782 20 0 DFADMM CN1Cc2cc(NC(=O)c3ccc([O-])c(F)c3)ccc2NC1=O ZINC000681360934 545632220 /nfs/dbraw/zinc/63/22/20/545632220.db2.gz UWDQROIGFQJCAT-UHFFFAOYSA-N -1 1 315.304 2.761 20 0 DFADMM Cc1nc2c([nH]1)C[C@H](C(=O)Nc1cc(F)cc(Cl)c1[O-])CC2 ZINC000681539492 545668574 /nfs/dbraw/zinc/66/85/74/545668574.db2.gz AXVKCCXSLWWPNB-MRVPVSSYSA-N -1 1 323.755 2.960 20 0 DFADMM Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ncc(C)cc1[O-] ZINC000681717206 545707886 /nfs/dbraw/zinc/70/78/86/545707886.db2.gz TZRBOVNGVGQPDI-UHFFFAOYSA-N -1 1 322.368 2.520 20 0 DFADMM Cc1cnc(C(=O)N2CCc3cc(F)ccc3[C@@H]2C)c([O-])c1 ZINC000681732552 545710040 /nfs/dbraw/zinc/71/00/40/545710040.db2.gz HKBZTAYBVHMJAF-NSHDSACASA-N -1 1 300.333 2.994 20 0 DFADMM CO[C@@]1(C(F)(F)F)CCCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000682015817 545773696 /nfs/dbraw/zinc/77/36/96/545773696.db2.gz GNHCHKDJCIEOEX-ZDUSSCGKSA-N -1 1 321.270 2.715 20 0 DFADMM COC1CCC(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)CC1 ZINC000682034508 545780870 /nfs/dbraw/zinc/78/08/70/545780870.db2.gz SYEGOYLPHCOKEB-UHFFFAOYSA-N -1 1 304.350 2.517 20 0 DFADMM CCOC1CCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)CC1 ZINC000682358318 545827697 /nfs/dbraw/zinc/82/76/97/545827697.db2.gz AEBOJOTZRXTJRI-UHFFFAOYSA-N -1 1 313.781 2.695 20 0 DFADMM COc1cc(C(=O)N2CCC[C@H](OC)CC2)cc(Cl)c1[O-] ZINC000682363910 545830916 /nfs/dbraw/zinc/83/09/16/545830916.db2.gz OPTLCEXORCNTKZ-NSHDSACASA-N -1 1 313.781 2.695 20 0 DFADMM O=C(Nc1ccncc1[O-])c1cc(F)c(C(F)(F)F)c(F)c1 ZINC000683250411 545995811 /nfs/dbraw/zinc/99/58/11/545995811.db2.gz IHLNKXKTQCXTLV-UHFFFAOYSA-N -1 1 318.201 2.758 20 0 DFADMM Cc1cc(=O)c2cc(NC(=O)c3ccc([O-])c(F)c3)ccc2[nH]1 ZINC000683252109 545996175 /nfs/dbraw/zinc/99/61/75/545996175.db2.gz AYCJOHSGHJLWSV-UHFFFAOYSA-N -1 1 312.300 2.934 20 0 DFADMM Cc1nc(C(=O)[N-]c2nnc(C(F)(F)F)s2)sc1C ZINC000683533469 546054628 /nfs/dbraw/zinc/05/46/28/546054628.db2.gz CPLBXSBROAQBHF-UHFFFAOYSA-N -1 1 308.310 2.883 20 0 DFADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccnn1CC(F)F ZINC000684058779 546144753 /nfs/dbraw/zinc/14/47/53/546144753.db2.gz RCZGNNIPJDXJLM-UHFFFAOYSA-N -1 1 301.680 2.760 20 0 DFADMM Cc1cccc([N-]S(=O)(=O)c2c(Cl)cnn2C)c1Cl ZINC000684653527 546257345 /nfs/dbraw/zinc/25/73/45/546257345.db2.gz SVTUNGPAXYCVCB-UHFFFAOYSA-N -1 1 320.201 2.836 20 0 DFADMM C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2C(=O)c2ncccc2[O-])C1 ZINC000684860543 546294397 /nfs/dbraw/zinc/29/43/97/546294397.db2.gz FDJNNDRWRJCTFL-BARDWOONSA-N -1 1 318.417 2.579 20 0 DFADMM CC1(C)CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)CCO1 ZINC000684871609 546295793 /nfs/dbraw/zinc/29/57/93/546295793.db2.gz ODSINSXJHHMHTQ-UHFFFAOYSA-N -1 1 303.280 2.662 20 0 DFADMM O=C(NC[C@@H]1CCCCO1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684874894 546296075 /nfs/dbraw/zinc/29/60/75/546296075.db2.gz WUWLACBNHRSODN-JTQLQIEISA-N -1 1 303.280 2.710 20 0 DFADMM C[C@H](O)C[C@H](C)CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684875520 546296116 /nfs/dbraw/zinc/29/61/16/546296116.db2.gz IHQNZFZSRKWHIT-IUCAKERBSA-N -1 1 305.296 2.548 20 0 DFADMM CN(CC(=O)Nc1cccc(Cl)c1)Cc1ncccc1[O-] ZINC000685409721 546344957 /nfs/dbraw/zinc/34/49/57/546344957.db2.gz IFEBYPXQHWTSCQ-UHFFFAOYSA-N -1 1 305.765 2.511 20 0 DFADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)C2(CCF)CC2)CC1 ZINC000685582934 546372210 /nfs/dbraw/zinc/37/22/10/546372210.db2.gz GXZVOWHKOJTVSO-UHFFFAOYSA-N -1 1 319.376 2.953 20 0 DFADMM C[C@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)C(C)(C)C ZINC000736026782 598969557 /nfs/dbraw/zinc/96/95/57/598969557.db2.gz QYJZRENTJBOVAB-SNVBAGLBSA-N -1 1 311.393 2.904 20 0 DFADMM C[C@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)C(C)(C)C ZINC000736026782 598969558 /nfs/dbraw/zinc/96/95/58/598969558.db2.gz QYJZRENTJBOVAB-SNVBAGLBSA-N -1 1 311.393 2.904 20 0 DFADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)nc1)c1cc(C)ccc1C ZINC000736506454 598989106 /nfs/dbraw/zinc/98/91/06/598989106.db2.gz YSIAURCFDFOHTI-UHFFFAOYSA-N -1 1 322.372 2.545 20 0 DFADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)c1cc(C)ccc1C ZINC000736506454 598989107 /nfs/dbraw/zinc/98/91/07/598989107.db2.gz YSIAURCFDFOHTI-UHFFFAOYSA-N -1 1 322.372 2.545 20 0 DFADMM CC[C@]1(C)CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000820951259 599089704 /nfs/dbraw/zinc/08/97/04/599089704.db2.gz XCGXACHWEBBYCN-GFCCVEGCSA-N -1 1 312.830 2.993 20 0 DFADMM CC[C@]1(C)CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000820951259 599089706 /nfs/dbraw/zinc/08/97/06/599089706.db2.gz XCGXACHWEBBYCN-GFCCVEGCSA-N -1 1 312.830 2.993 20 0 DFADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CCC2(CCCC2)C1 ZINC000823792000 599094853 /nfs/dbraw/zinc/09/48/53/599094853.db2.gz MFJGUBARDBLQJQ-UHFFFAOYSA-N -1 1 321.388 2.580 20 0 DFADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CCC2(CCCC2)C1 ZINC000823792000 599094856 /nfs/dbraw/zinc/09/48/56/599094856.db2.gz MFJGUBARDBLQJQ-UHFFFAOYSA-N -1 1 321.388 2.580 20 0 DFADMM CCC[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000736436116 599154371 /nfs/dbraw/zinc/15/43/71/599154371.db2.gz OREQOKHBUJKTAS-OAHLLOKOSA-N -1 1 323.356 2.960 20 0 DFADMM CCC[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000736436116 599154372 /nfs/dbraw/zinc/15/43/72/599154372.db2.gz OREQOKHBUJKTAS-OAHLLOKOSA-N -1 1 323.356 2.960 20 0 DFADMM CC[C@@H](COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000736355104 599154728 /nfs/dbraw/zinc/15/47/28/599154728.db2.gz XTSAFKUPNUWTIJ-LBPRGKRZSA-N -1 1 323.356 2.612 20 0 DFADMM CC[C@@H](COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000736355104 599154729 /nfs/dbraw/zinc/15/47/29/599154729.db2.gz XTSAFKUPNUWTIJ-LBPRGKRZSA-N -1 1 323.356 2.612 20 0 DFADMM O=C([O-])c1sccc1NC(=O)CN1CCC[C@H]1C1CCC1 ZINC000739284828 599874505 /nfs/dbraw/zinc/87/45/05/599874505.db2.gz VKJKQQHMILRALH-LBPRGKRZSA-N -1 1 308.403 2.649 20 0 DFADMM CN(CCC(=O)[O-])Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000818467753 597237234 /nfs/dbraw/zinc/23/72/34/597237234.db2.gz FWUUBJQTIUBMFB-UHFFFAOYSA-N -1 1 302.252 2.753 20 0 DFADMM Clc1ccc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)cn1 ZINC000822578294 607305637 /nfs/dbraw/zinc/30/56/37/607305637.db2.gz GJCFKJQPARTZHW-UHFFFAOYSA-N -1 1 309.116 2.756 20 0 DFADMM Clc1ccc(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)cn1 ZINC000822578294 607305638 /nfs/dbraw/zinc/30/56/38/607305638.db2.gz GJCFKJQPARTZHW-UHFFFAOYSA-N -1 1 309.116 2.756 20 0 DFADMM COc1ccc(CN2CCC(C(=O)[O-])CC2)c(OC(F)F)c1 ZINC000820832447 598119595 /nfs/dbraw/zinc/11/95/95/598119595.db2.gz OIXRDSLKYNRWJW-UHFFFAOYSA-N -1 1 315.316 2.593 20 0 DFADMM COCCc1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000737012851 598234750 /nfs/dbraw/zinc/23/47/50/598234750.db2.gz BYDBZPBJFZWOOM-UHFFFAOYSA-N -1 1 314.320 2.987 20 0 DFADMM COCCc1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000737012851 598234751 /nfs/dbraw/zinc/23/47/51/598234751.db2.gz BYDBZPBJFZWOOM-UHFFFAOYSA-N -1 1 314.320 2.987 20 0 DFADMM C[C@H](CN(C)CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000736570267 600370394 /nfs/dbraw/zinc/37/03/94/600370394.db2.gz CMKAUIOBRRAHKJ-MRVPVSSYSA-N -1 1 319.188 2.584 20 0 DFADMM Clc1ccc(N[C@H]2C[C@@H]2c2ccccc2)nc1-c1nnn[n-]1 ZINC000737574163 598578150 /nfs/dbraw/zinc/57/81/50/598578150.db2.gz LJPLGWYFLRFNAY-PWSUYJOCSA-N -1 1 312.764 2.883 20 0 DFADMM Clc1ccc(N[C@H]2C[C@@H]2c2ccccc2)nc1-c1nn[n-]n1 ZINC000737574163 598578151 /nfs/dbraw/zinc/57/81/51/598578151.db2.gz LJPLGWYFLRFNAY-PWSUYJOCSA-N -1 1 312.764 2.883 20 0 DFADMM COc1ccc([C@@H](C)Nc2cccc(-c3nnn[n-]3)n2)cc1F ZINC000737077269 599397636 /nfs/dbraw/zinc/39/76/36/599397636.db2.gz VKQQGOLKXJVNMD-SECBINFHSA-N -1 1 314.324 2.583 20 0 DFADMM COc1ccc([C@@H](C)Nc2cccc(-c3nn[n-]n3)n2)cc1F ZINC000737077269 599397639 /nfs/dbraw/zinc/39/76/39/599397639.db2.gz VKQQGOLKXJVNMD-SECBINFHSA-N -1 1 314.324 2.583 20 0 DFADMM C[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1c(F)cccc1F ZINC000820431513 599408539 /nfs/dbraw/zinc/40/85/39/599408539.db2.gz GGMCOUYWBHYNMK-QMMMGPOBSA-N -1 1 305.288 2.589 20 0 DFADMM C[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1c(F)cccc1F ZINC000820431513 599408542 /nfs/dbraw/zinc/40/85/42/599408542.db2.gz GGMCOUYWBHYNMK-QMMMGPOBSA-N -1 1 305.288 2.589 20 0 DFADMM Cc1cccc(C(C)(C)CNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000737385400 599419766 /nfs/dbraw/zinc/41/97/66/599419766.db2.gz SDFVVWMAQBKUAB-UHFFFAOYSA-N -1 1 308.389 2.960 20 0 DFADMM Cc1cccc(C(C)(C)CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000737385400 599419768 /nfs/dbraw/zinc/41/97/68/599419768.db2.gz SDFVVWMAQBKUAB-UHFFFAOYSA-N -1 1 308.389 2.960 20 0 DFADMM FC(F)(F)c1ccccc1CNc1cccc(-c2nnn[n-]2)n1 ZINC000737634995 599420627 /nfs/dbraw/zinc/42/06/27/599420627.db2.gz CLRTYBOJOGVSCS-UHFFFAOYSA-N -1 1 320.278 2.893 20 0 DFADMM FC(F)(F)c1ccccc1CNc1cccc(-c2nn[n-]n2)n1 ZINC000737634995 599420630 /nfs/dbraw/zinc/42/06/30/599420630.db2.gz CLRTYBOJOGVSCS-UHFFFAOYSA-N -1 1 320.278 2.893 20 0 DFADMM Cc1cccc2[nH]cc(CCNc3cccc(-c4nnn[n-]4)n3)c21 ZINC000737408357 599427473 /nfs/dbraw/zinc/42/74/73/599427473.db2.gz KRIVWIGVRKKGOR-UHFFFAOYSA-N -1 1 319.372 2.706 20 0 DFADMM Cc1cccc2[nH]cc(CCNc3cccc(-c4nn[n-]n4)n3)c21 ZINC000737408357 599427476 /nfs/dbraw/zinc/42/74/76/599427476.db2.gz KRIVWIGVRKKGOR-UHFFFAOYSA-N -1 1 319.372 2.706 20 0 DFADMM Fc1cccc(F)c1[C@@H]1C[C@@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000737661664 599439742 /nfs/dbraw/zinc/43/97/42/599439742.db2.gz OOXCFMIYSUPTLB-PELKAZGASA-N -1 1 314.299 2.508 20 0 DFADMM Fc1cccc(F)c1[C@@H]1C[C@@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000737661664 599439744 /nfs/dbraw/zinc/43/97/44/599439744.db2.gz OOXCFMIYSUPTLB-PELKAZGASA-N -1 1 314.299 2.508 20 0 DFADMM CCC(CC)c1cc(CNCc2ccc(-c3nnn[n-]3)o2)on1 ZINC000820897687 599449239 /nfs/dbraw/zinc/44/92/39/599449239.db2.gz LQUHFFVJUCRIMB-UHFFFAOYSA-N -1 1 316.365 2.641 20 0 DFADMM CCC(CC)c1cc(CNCc2ccc(-c3nn[n-]n3)o2)on1 ZINC000820897687 599449241 /nfs/dbraw/zinc/44/92/41/599449241.db2.gz LQUHFFVJUCRIMB-UHFFFAOYSA-N -1 1 316.365 2.641 20 0 DFADMM Fc1cccc(Oc2cccc(-n3cccn3)c2)c1-c1nnn[n-]1 ZINC000737666278 599527562 /nfs/dbraw/zinc/52/75/62/599527562.db2.gz WDBQHXINYIVZFF-UHFFFAOYSA-N -1 1 322.303 2.984 20 0 DFADMM Fc1cccc(Oc2cccc(-n3cccn3)c2)c1-c1nn[n-]n1 ZINC000737666278 599527564 /nfs/dbraw/zinc/52/75/64/599527564.db2.gz WDBQHXINYIVZFF-UHFFFAOYSA-N -1 1 322.303 2.984 20 0 DFADMM CSCCCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821962060 599564238 /nfs/dbraw/zinc/56/42/38/599564238.db2.gz ONELZQBYDXWPBB-UHFFFAOYSA-N -1 1 300.391 2.580 20 0 DFADMM CSCCCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821962060 599564240 /nfs/dbraw/zinc/56/42/40/599564240.db2.gz ONELZQBYDXWPBB-UHFFFAOYSA-N -1 1 300.391 2.580 20 0 DFADMM CCC1(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)CCOCC1 ZINC000820961776 599688917 /nfs/dbraw/zinc/68/89/17/599688917.db2.gz BAGRZHWLMYLQLK-UHFFFAOYSA-N -1 1 322.800 2.534 20 0 DFADMM CCC1(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)CCOCC1 ZINC000820961776 599688918 /nfs/dbraw/zinc/68/89/18/599688918.db2.gz BAGRZHWLMYLQLK-UHFFFAOYSA-N -1 1 322.800 2.534 20 0 DFADMM COc1ccc([N+](=O)[O-])cc1CN[C@H](C(=O)[O-])c1ccccc1 ZINC000321283962 599783832 /nfs/dbraw/zinc/78/38/32/599783832.db2.gz GJTUPHDFUATVKD-HNNXBMFYSA-N -1 1 316.313 2.519 20 0 DFADMM O=C([O-])C[C@H]1CCCCN1Cn1c(=O)oc2cc(Cl)ccc21 ZINC000739638854 599840376 /nfs/dbraw/zinc/84/03/76/599840376.db2.gz CRXZILJEPJVQBA-LLVKDONJSA-N -1 1 324.764 2.535 20 0 DFADMM COc1ccc(F)cc1CN1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000321221922 599964925 /nfs/dbraw/zinc/96/49/25/599964925.db2.gz KTPRTWMLVBQPGB-INIZCTEOSA-N -1 1 315.344 2.846 20 0 DFADMM C[C@H](CN(C)Cc1coc(-c2ccc(F)c(F)c2)n1)C(=O)[O-] ZINC000736576941 600002419 /nfs/dbraw/zinc/00/24/19/600002419.db2.gz RRPSGCKIZSYGFP-SECBINFHSA-N -1 1 310.300 2.772 20 0 DFADMM Cc1cccc(-c2nnc([C@H](C)N3CCC(C(=O)[O-])CC3)o2)c1 ZINC000738306268 600034162 /nfs/dbraw/zinc/03/41/62/600034162.db2.gz GQUFURPUNPOYDA-LBPRGKRZSA-N -1 1 315.373 2.903 20 0 DFADMM Cc1[nH]c2ccccc2c1C(=O)CN1CCCC[C@H]1CC(=O)[O-] ZINC000738246417 600087604 /nfs/dbraw/zinc/08/76/04/600087604.db2.gz FPNBRIXYAKDONW-ZDUSSCGKSA-N -1 1 314.385 2.988 20 0 DFADMM C[C@H](CN(C)Cc1nnc(-c2cccc(Cl)c2)o1)C(=O)[O-] ZINC000736576825 600110696 /nfs/dbraw/zinc/11/06/96/600110696.db2.gz MLHHEYIABNJYQW-SECBINFHSA-N -1 1 309.753 2.543 20 0 DFADMM O=C([O-])[C@@H]1CCCN(Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000314553237 600137293 /nfs/dbraw/zinc/13/72/93/600137293.db2.gz ZGRCBKUQTQHJSR-SNVBAGLBSA-N -1 1 321.764 2.687 20 0 DFADMM O=C([O-])[C@@H]1CCCN(Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000314417096 600140592 /nfs/dbraw/zinc/14/05/92/600140592.db2.gz DWMMSHROSFBDJS-LLVKDONJSA-N -1 1 321.764 2.687 20 0 DFADMM C[C@@H](c1ccccc1)N(C)C(=O)CNC1(C(=O)[O-])CCCCC1 ZINC000736725139 600149723 /nfs/dbraw/zinc/14/97/23/600149723.db2.gz SBPHKLBWKYVVBR-AWEZNQCLSA-N -1 1 318.417 2.583 20 0 DFADMM CCC[C@](C)(NCC(=O)Nc1c(C)cc(C)cc1C)C(=O)[O-] ZINC000314526886 600154045 /nfs/dbraw/zinc/15/40/45/600154045.db2.gz RSRNCNIUCRXCFP-KRWDZBQOSA-N -1 1 306.406 2.783 20 0 DFADMM Cc1cc(NC(=O)c2cc(=O)c3ccccc3[nH]2)c(C(=O)[O-])[nH]1 ZINC000322224710 600256419 /nfs/dbraw/zinc/25/64/19/600256419.db2.gz VNTKCMVIYYGZHK-UHFFFAOYSA-N -1 1 311.297 2.527 20 0 DFADMM CCCCCC[C@@H](C)NC(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736982848 600295782 /nfs/dbraw/zinc/29/57/82/600295782.db2.gz DEMLBGJHDCUZLF-CABCVRRESA-N -1 1 324.465 2.648 20 0 DFADMM CCCCCCN(C)CC(=O)Nc1cccc(C(=O)[O-])c1O ZINC000736983508 600362679 /nfs/dbraw/zinc/36/26/79/600362679.db2.gz NJIAHPVPSBAIEQ-UHFFFAOYSA-N -1 1 308.378 2.541 20 0 DFADMM C[C@H](CN(C)CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000042706101 600368375 /nfs/dbraw/zinc/36/83/75/600368375.db2.gz LJUBZKLYAOFJSN-MRVPVSSYSA-N -1 1 319.188 2.584 20 0 DFADMM O=C([O-])c1ccc(CNCc2c[nH]nc2-c2cccs2)o1 ZINC000740132071 600524324 /nfs/dbraw/zinc/52/43/24/600524324.db2.gz BTDNIFURYPARAT-UHFFFAOYSA-N -1 1 303.343 2.719 20 0 DFADMM CC(C)CN(CCC(=O)[O-])C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000736432486 600639017 /nfs/dbraw/zinc/63/90/17/600639017.db2.gz FKBUIUUSOVPULA-UHFFFAOYSA-N -1 1 315.373 2.650 20 0 DFADMM C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1)N1[C@H](C)CC[C@@H]1C ZINC000736761388 600736889 /nfs/dbraw/zinc/73/68/89/600736889.db2.gz ICURAFMEZIQUSU-OZTPJHRESA-N -1 1 323.364 2.756 20 0 DFADMM Cc1sc(NC(=O)CN(CCC(=O)[O-])C(C)C)c(C)c1C ZINC000833033503 600829874 /nfs/dbraw/zinc/82/98/74/600829874.db2.gz BRQZCOABFFJEMJ-UHFFFAOYSA-N -1 1 312.435 2.797 20 0 DFADMM C[C@H]1CCc2ccccc2N1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000824966585 607481253 /nfs/dbraw/zinc/48/12/53/607481253.db2.gz BXAMNJUMVXMRDE-LBPRGKRZSA-N -1 1 306.373 2.603 20 0 DFADMM C[C@H]1CCc2ccccc2N1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000824966585 607481255 /nfs/dbraw/zinc/48/12/55/607481255.db2.gz BXAMNJUMVXMRDE-LBPRGKRZSA-N -1 1 306.373 2.603 20 0 DFADMM COc1cc(CN(C)Cc2cc(C(=O)[O-])oc2C)ccc1O ZINC000831989482 601001775 /nfs/dbraw/zinc/00/17/75/601001775.db2.gz CXAYFRUVUZKWQV-UHFFFAOYSA-N -1 1 305.330 2.632 20 0 DFADMM COc1ccc([C@H](NCc2cccc(Cl)n2)C(=O)[O-])cc1 ZINC000832252921 601005291 /nfs/dbraw/zinc/00/52/91/601005291.db2.gz UENDAPFWOIZYLL-AWEZNQCLSA-N -1 1 306.749 2.659 20 0 DFADMM O=C([O-])[C@@H](c1ccccc1F)N1CCc2ccc(O)cc2C1 ZINC000833173529 601015238 /nfs/dbraw/zinc/01/52/38/601015238.db2.gz BGIAGDGPXBQOGR-MRXNPFEDSA-N -1 1 301.317 2.715 20 0 DFADMM CC(C)C1CCN(CC(=O)Nc2ccc(C(=O)[O-])cc2)CC1 ZINC000826736311 601018108 /nfs/dbraw/zinc/01/81/08/601018108.db2.gz RUVANKWCLYTIIN-UHFFFAOYSA-N -1 1 304.390 2.691 20 0 DFADMM Cc1ccc(-c2cc(CN[C@@](C)(C(=O)[O-])C3CC3)on2)cc1 ZINC000832906168 601039387 /nfs/dbraw/zinc/03/93/87/601039387.db2.gz RQLBJXYJFFDWQQ-QGZVFWFLSA-N -1 1 300.358 2.993 20 0 DFADMM CCSCC[C@@H](C)N(C)CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000830164571 601051362 /nfs/dbraw/zinc/05/13/62/601051362.db2.gz ZKSDIOZNPHZDAT-GFCCVEGCSA-N -1 1 324.446 2.787 20 0 DFADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)NCCCCCCC(=O)[O-] ZINC000832847576 601081274 /nfs/dbraw/zinc/08/12/74/601081274.db2.gz MZHKBRISUHOCNF-UHFFFAOYSA-N -1 1 321.299 2.502 20 0 DFADMM C[C@H]1CN(Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C(C)(C)C1 ZINC000828463875 601122360 /nfs/dbraw/zinc/12/23/60/601122360.db2.gz RVHDDVNQHUTYMQ-SNVBAGLBSA-N -1 1 315.373 2.654 20 0 DFADMM CC(C)c1cn(CN(C[C@@H](C)C(=O)[O-])C2CC2)c(=S)n1C ZINC000827454507 601299465 /nfs/dbraw/zinc/29/94/65/601299465.db2.gz BDOOEXSSHZSKPR-LLVKDONJSA-N -1 1 311.451 2.822 20 0 DFADMM CN(Cc1ccc([S@@](C)=O)cc1)Cc1cccc(C(=O)[O-])c1 ZINC000820602174 601376649 /nfs/dbraw/zinc/37/66/49/601376649.db2.gz KWRAVFIWSMLZAV-JOCHJYFZSA-N -1 1 317.410 2.754 20 0 DFADMM CCCn1c(=O)[nH]nc1SCc1cc(C(=O)[O-])oc1CC ZINC000829580522 601395252 /nfs/dbraw/zinc/39/52/52/601395252.db2.gz XTRCYORFSCWXOK-UHFFFAOYSA-N -1 1 311.363 2.540 20 0 DFADMM CN(Cc1ccc(C(=O)[O-])cc1)Cc1ccc(-n2ccnc2)nc1 ZINC000830819306 601412911 /nfs/dbraw/zinc/41/29/11/601412911.db2.gz BZGMXZHENRPXMK-UHFFFAOYSA-N -1 1 322.368 2.598 20 0 DFADMM Cc1nc(NC(=O)c2cc(C)cc3c[nH]nc32)sc1C(=O)[O-] ZINC000832866936 601435968 /nfs/dbraw/zinc/43/59/68/601435968.db2.gz JALINOYEEQCULR-UHFFFAOYSA-N -1 1 316.342 2.587 20 0 DFADMM COC[C@](C)(CC(=O)[O-])NCc1c(Cl)cccc1Cl ZINC000831579188 601488759 /nfs/dbraw/zinc/48/87/59/601488759.db2.gz WYHSFOIOGXBDMW-ZDUSSCGKSA-N -1 1 306.189 2.963 20 0 DFADMM CCC1CCC(NCC(=O)Nc2ccccc2C)(C(=O)[O-])CC1 ZINC000829107582 601496112 /nfs/dbraw/zinc/49/61/12/601496112.db2.gz OKPOSOUXTMLXPJ-UHFFFAOYSA-N -1 1 318.417 2.947 20 0 DFADMM C[C@H]1CN(Cc2nnc(-c3ccc(Cl)cc3)o2)C[C@@H]1C(=O)[O-] ZINC000314959961 601510305 /nfs/dbraw/zinc/51/03/05/601510305.db2.gz ADZAWGSXEMUQTN-CABZTGNLSA-N -1 1 321.764 2.543 20 0 DFADMM C[C@@H](c1nnc(-c2cccs2)o1)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828423662 601517298 /nfs/dbraw/zinc/51/72/98/601517298.db2.gz LUAQRUOTQJJTCO-UTLUCORTSA-N -1 1 307.375 2.512 20 0 DFADMM O=C([O-])[C@@H]1c2ccccc2CCN1Cc1cn2ccccc2n1 ZINC000321357886 601543178 /nfs/dbraw/zinc/54/31/78/601543178.db2.gz TVXMAVJAXXSWLM-KRWDZBQOSA-N -1 1 307.353 2.518 20 0 DFADMM CCC1(CC)CCN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000829056450 601544403 /nfs/dbraw/zinc/54/44/03/601544403.db2.gz VZNBRALFOMBZAR-UHFFFAOYSA-N -1 1 304.390 2.835 20 0 DFADMM Cc1ccc([C@H](C)NC(=O)CN[C@@H](C(=O)[O-])C(C)(C)C)cc1C ZINC000832921103 601602177 /nfs/dbraw/zinc/60/21/77/601602177.db2.gz LPJHFYUAPGNHDW-BBRMVZONSA-N -1 1 320.433 2.570 20 0 DFADMM CCC(CC)(CC(=O)[O-])NCc1nc(Cc2ccccc2)no1 ZINC000828803861 601633924 /nfs/dbraw/zinc/63/39/24/601633924.db2.gz COYCOMMWXSDIGY-UHFFFAOYSA-N -1 1 317.389 2.784 20 0 DFADMM COc1ccc(CN(C)Cc2ccc(C(=O)[O-])c(F)c2)cc1O ZINC000832311049 601642268 /nfs/dbraw/zinc/64/22/68/601642268.db2.gz NCJOWGKZDAHNFL-UHFFFAOYSA-N -1 1 319.332 2.870 20 0 DFADMM CCCCCC(C)(C)C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000829305457 601812944 /nfs/dbraw/zinc/81/29/44/601812944.db2.gz XWWKYEZPSORMHI-CQSZACIVSA-N -1 1 312.454 2.600 20 0 DFADMM CCn1c2ccccc2n(CN2C[C@@H](C)[C@H](C(=O)[O-])C2)c1=S ZINC000830408115 601819137 /nfs/dbraw/zinc/81/91/37/601819137.db2.gz KSABJHHGVAOFIL-VXGBXAGGSA-N -1 1 319.430 2.802 20 0 DFADMM CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2ccsc2C(=O)[O-])C1 ZINC000826130877 601823887 /nfs/dbraw/zinc/82/38/87/601823887.db2.gz RZXKMNQUFWNVSZ-GFCCVEGCSA-N -1 1 324.446 2.573 20 0 DFADMM CC(C)(C)C(=O)N[C@H]1CCCN(Cc2ccsc2C(=O)[O-])C1 ZINC000826130879 601823935 /nfs/dbraw/zinc/82/39/35/601823935.db2.gz RZXKMNQUFWNVSZ-LBPRGKRZSA-N -1 1 324.446 2.573 20 0 DFADMM CCc1cccc(C)c1NC(=O)CN[C@@H](C(=O)[O-])C(C)(C)C ZINC000830259710 601870900 /nfs/dbraw/zinc/87/09/00/601870900.db2.gz FJFRBTNAYOSMAY-HNNXBMFYSA-N -1 1 306.406 2.585 20 0 DFADMM CC(C)[C@@H](C(=O)OCc1ccc(C(=O)[O-])s1)N1CCCC1 ZINC000826677460 602010733 /nfs/dbraw/zinc/01/07/33/602010733.db2.gz TZUQLFBZCVNWRR-ZDUSSCGKSA-N -1 1 311.403 2.610 20 0 DFADMM COc1c(C)cnc(CN2CCCC[C@@H]2[C@H](C)NC(=O)[O-])c1C ZINC000739847459 602071232 /nfs/dbraw/zinc/07/12/32/602071232.db2.gz ZQQIYKRPFXHXAW-DZGCQCFKSA-N -1 1 321.421 2.718 20 0 DFADMM CCCCc1nc2ccc(NC(=O)[C@H](C)CC(=O)[O-])cc2[nH]1 ZINC000829441478 602128573 /nfs/dbraw/zinc/12/85/73/602128573.db2.gz VCFMMPMCUOQTQE-SNVBAGLBSA-N -1 1 303.362 2.955 20 0 DFADMM Fc1ccc(NCc2ccnc(-c3nnn[n-]3)c2)cc1Cl ZINC000826375423 607546704 /nfs/dbraw/zinc/54/67/04/607546704.db2.gz MYEQBLCPQOBZRT-UHFFFAOYSA-N -1 1 304.716 2.666 20 0 DFADMM Fc1ccc(NCc2ccnc(-c3nn[n-]n3)c2)cc1Cl ZINC000826375423 607546706 /nfs/dbraw/zinc/54/67/06/607546706.db2.gz MYEQBLCPQOBZRT-UHFFFAOYSA-N -1 1 304.716 2.666 20 0 DFADMM CC[C@H](C)[C@@H](NCC(=O)Nc1c(C)cc(C)cc1C)C(=O)[O-] ZINC000828738066 602263961 /nfs/dbraw/zinc/26/39/61/602263961.db2.gz MIUPJCTYGWQCTP-MEDUHNTESA-N -1 1 306.406 2.639 20 0 DFADMM COc1ccc(CN2CCCC[C@H]2[C@@H](C)NC(=O)[O-])cc1F ZINC000739906216 602266313 /nfs/dbraw/zinc/26/63/13/602266313.db2.gz LKXAKPYSNODYPD-RISCZKNCSA-N -1 1 310.369 2.845 20 0 DFADMM O=C([O-])c1cc(F)ccc1CN1CCc2ccccc2[C@H]1CO ZINC000833299501 602319497 /nfs/dbraw/zinc/31/94/97/602319497.db2.gz RQXFJOGYSRDVQL-QGZVFWFLSA-N -1 1 315.344 2.616 20 0 DFADMM Cc1cc(C[N@@H+]2CCC[C@@H]2c2cn(C)nc2C)oc1C(=O)[O-] ZINC000832883009 602344512 /nfs/dbraw/zinc/34/45/12/602344512.db2.gz OZQDGRZULRBLIE-CQSZACIVSA-N -1 1 303.362 2.665 20 0 DFADMM Cc1cc(CN2CCC[C@@H]2c2cn(C)nc2C)oc1C(=O)[O-] ZINC000832883009 602344515 /nfs/dbraw/zinc/34/45/15/602344515.db2.gz OZQDGRZULRBLIE-CQSZACIVSA-N -1 1 303.362 2.665 20 0 DFADMM CN(C[C@H]1CCN(Cn2c3ccccc3oc2=S)C1)C(=O)[O-] ZINC000739664808 602526251 /nfs/dbraw/zinc/52/62/51/602526251.db2.gz PIBPOMBHQUTFSF-LLVKDONJSA-N -1 1 321.402 2.853 20 0 DFADMM CN(C(=O)[O-])[C@@H]1CCCN(c2ccnc3cc(F)ccc32)C1 ZINC000739585743 602861646 /nfs/dbraw/zinc/86/16/46/602861646.db2.gz DJVZYWPQMARXQX-GFCCVEGCSA-N -1 1 303.337 2.953 20 0 DFADMM CN(Cc1cc(Br)cs1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828345818 603487178 /nfs/dbraw/zinc/48/71/78/603487178.db2.gz JGESTTPFZFBMAZ-SECBINFHSA-N -1 1 319.224 2.695 20 0 DFADMM CCN(CC1CCN(Cc2nc(C)c(C)s2)CC1)C(=O)[O-] ZINC000827098762 603525830 /nfs/dbraw/zinc/52/58/30/603525830.db2.gz 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/nfs/dbraw/zinc/50/36/40/606503640.db2.gz LALUAZSXRBIEEC-ZJUUUORDSA-N -1 1 305.407 2.579 20 0 DFADMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820697728 606503641 /nfs/dbraw/zinc/50/36/41/606503641.db2.gz LALUAZSXRBIEEC-ZJUUUORDSA-N -1 1 305.407 2.579 20 0 DFADMM Cc1cccc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822303817 606506087 /nfs/dbraw/zinc/50/60/87/606506087.db2.gz KOHMBYORQYOFES-UHFFFAOYSA-N -1 1 313.386 2.509 20 0 DFADMM Cc1cccc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822303817 606506089 /nfs/dbraw/zinc/50/60/89/606506089.db2.gz KOHMBYORQYOFES-UHFFFAOYSA-N -1 1 313.386 2.509 20 0 DFADMM CCCCN(C(=O)c1ccc(-c2nnn[n-]2)s1)[C@@H](C)CC ZINC000821061692 606506469 /nfs/dbraw/zinc/50/64/69/606506469.db2.gz SDEXVZJRCFTDFV-JTQLQIEISA-N -1 1 307.423 2.969 20 0 DFADMM CCCCN(C(=O)c1ccc(-c2nn[n-]n2)s1)[C@@H](C)CC ZINC000821061692 606506471 /nfs/dbraw/zinc/50/64/71/606506471.db2.gz SDEXVZJRCFTDFV-JTQLQIEISA-N -1 1 307.423 2.969 20 0 DFADMM Cc1ccc(N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)cc1C ZINC000822241457 606517166 /nfs/dbraw/zinc/51/71/66/606517166.db2.gz XHIVGEJLNAGGIX-UHFFFAOYSA-N -1 1 313.386 2.822 20 0 DFADMM Cc1ccc(N(C)C(=O)c2ccc(-c3nn[n-]n3)s2)cc1C ZINC000822241457 606517167 /nfs/dbraw/zinc/51/71/67/606517167.db2.gz XHIVGEJLNAGGIX-UHFFFAOYSA-N -1 1 313.386 2.822 20 0 DFADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@H]1C1CCCC1 ZINC000823482838 606530148 /nfs/dbraw/zinc/53/01/48/606530148.db2.gz AJZVQJGXZKODGX-NSHDSACASA-N -1 1 317.418 2.723 20 0 DFADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@H]1C1CCCC1 ZINC000823482838 606530150 /nfs/dbraw/zinc/53/01/50/606530150.db2.gz AJZVQJGXZKODGX-NSHDSACASA-N -1 1 317.418 2.723 20 0 DFADMM O=C(Nc1cccc2[nH]ccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823367023 606545332 /nfs/dbraw/zinc/54/53/32/606545332.db2.gz DOCGBQSWPIAJRL-UHFFFAOYSA-N -1 1 310.342 2.662 20 0 DFADMM O=C(Nc1cccc2[nH]ccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823367023 606545334 /nfs/dbraw/zinc/54/53/34/606545334.db2.gz DOCGBQSWPIAJRL-UHFFFAOYSA-N -1 1 310.342 2.662 20 0 DFADMM CC[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000820981345 606565216 /nfs/dbraw/zinc/56/52/16/606565216.db2.gz RMUUVBHNHULWIM-SNVBAGLBSA-N -1 1 305.407 2.581 20 0 DFADMM CC[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000820981345 606565218 /nfs/dbraw/zinc/56/52/18/606565218.db2.gz RMUUVBHNHULWIM-SNVBAGLBSA-N -1 1 305.407 2.581 20 0 DFADMM CC(C)c1cnc(NC(=O)c2ccc(-c3nnn[n-]3)s2)s1 ZINC000820196716 606573372 /nfs/dbraw/zinc/57/33/72/606573372.db2.gz AMFISIRNRBFECM-UHFFFAOYSA-N -1 1 320.403 2.760 20 0 DFADMM CC(C)c1cnc(NC(=O)c2ccc(-c3nn[n-]n3)s2)s1 ZINC000820196716 606573374 /nfs/dbraw/zinc/57/33/74/606573374.db2.gz AMFISIRNRBFECM-UHFFFAOYSA-N -1 1 320.403 2.760 20 0 DFADMM O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823144185 606573540 /nfs/dbraw/zinc/57/35/40/606573540.db2.gz CLDNYNOGKAFWGH-GHMZBOCLSA-N -1 1 317.418 2.627 20 0 DFADMM O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823144185 606573543 /nfs/dbraw/zinc/57/35/43/606573543.db2.gz CLDNYNOGKAFWGH-GHMZBOCLSA-N -1 1 317.418 2.627 20 0 DFADMM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823144556 606575256 /nfs/dbraw/zinc/57/52/56/606575256.db2.gz IKYWVAFMHKTGAN-GMTAPVOTSA-N -1 1 317.418 2.627 20 0 DFADMM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823144556 606575258 /nfs/dbraw/zinc/57/52/58/606575258.db2.gz IKYWVAFMHKTGAN-GMTAPVOTSA-N -1 1 317.418 2.627 20 0 DFADMM CCC[C@H]1[C@H](C)CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821034061 606576066 /nfs/dbraw/zinc/57/60/66/606576066.db2.gz IGBXIFZPCLCDSL-MNOVXSKESA-N -1 1 319.434 2.969 20 0 DFADMM CCC[C@H]1[C@H](C)CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821034061 606576068 /nfs/dbraw/zinc/57/60/68/606576068.db2.gz IGBXIFZPCLCDSL-MNOVXSKESA-N -1 1 319.434 2.969 20 0 DFADMM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820649226 606581826 /nfs/dbraw/zinc/58/18/26/606581826.db2.gz JYYQUAZOJPAPIG-ZJUUUORDSA-N -1 1 319.434 2.873 20 0 DFADMM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820649226 606581827 /nfs/dbraw/zinc/58/18/27/606581827.db2.gz JYYQUAZOJPAPIG-ZJUUUORDSA-N -1 1 319.434 2.873 20 0 DFADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)[C@H]1Oc2ccccc2[C@H]1C ZINC000820462100 606593532 /nfs/dbraw/zinc/59/35/32/606593532.db2.gz UUQLQYLBHFWDEY-GDLVEWKHSA-N -1 1 322.372 2.627 20 0 DFADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)[C@H]1Oc2ccccc2[C@H]1C ZINC000820462100 606593533 /nfs/dbraw/zinc/59/35/33/606593533.db2.gz UUQLQYLBHFWDEY-GDLVEWKHSA-N -1 1 322.372 2.627 20 0 DFADMM Fc1cccc(-c2noc(-c3ccc(-c4nnn[n-]4)s3)n2)c1 ZINC000822786297 606620208 /nfs/dbraw/zinc/62/02/08/606620208.db2.gz IKEFGTUVLUYOTD-UHFFFAOYSA-N -1 1 314.305 2.784 20 0 DFADMM Fc1cccc(-c2noc(-c3ccc(-c4nn[n-]n4)s3)n2)c1 ZINC000822786297 606620210 /nfs/dbraw/zinc/62/02/10/606620210.db2.gz IKEFGTUVLUYOTD-UHFFFAOYSA-N -1 1 314.305 2.784 20 0 DFADMM CCC1(CNC(=O)c2ccc(-c3nnn[n-]3)s2)CCCC1 ZINC000820962295 606743726 /nfs/dbraw/zinc/74/37/26/606743726.db2.gz NMYAANOAAKDXEA-UHFFFAOYSA-N -1 1 305.407 2.628 20 0 DFADMM CCC1(CNC(=O)c2ccc(-c3nn[n-]n3)s2)CCCC1 ZINC000820962295 606743728 /nfs/dbraw/zinc/74/37/28/606743728.db2.gz NMYAANOAAKDXEA-UHFFFAOYSA-N -1 1 305.407 2.628 20 0 DFADMM O=c1c(-c2nn[n-]n2)cn(C/C(Cl)=C\Cl)c2ccccc12 ZINC000823656390 606867846 /nfs/dbraw/zinc/86/78/46/606867846.db2.gz CVSPPPNZBYIFNQ-VMPITWQZSA-N -1 1 322.155 2.501 20 0 DFADMM CCC[C@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000821040812 606875309 /nfs/dbraw/zinc/87/53/09/606875309.db2.gz SJZNRZHMGNHPFF-QMMMGPOBSA-N -1 1 312.830 2.993 20 0 DFADMM CCC[C@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000821040812 606875310 /nfs/dbraw/zinc/87/53/10/606875310.db2.gz SJZNRZHMGNHPFF-QMMMGPOBSA-N -1 1 312.830 2.993 20 0 DFADMM Cc1cc(OC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1F ZINC000822210865 607160095 /nfs/dbraw/zinc/16/00/95/607160095.db2.gz UKCNELKGNKFWNA-UHFFFAOYSA-N -1 1 304.306 2.595 20 0 DFADMM Cc1cc(OC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1F ZINC000822210865 607160097 /nfs/dbraw/zinc/16/00/97/607160097.db2.gz UKCNELKGNKFWNA-UHFFFAOYSA-N -1 1 304.306 2.595 20 0 DFADMM CC(C)(CNC(=O)c1ccc(-c2nnn[n-]2)s1)C1CCCC1 ZINC000824158436 607794441 /nfs/dbraw/zinc/79/44/41/607794441.db2.gz WUUFEARJQCXARO-UHFFFAOYSA-N -1 1 319.434 2.874 20 0 DFADMM CC(C)(CNC(=O)c1ccc(-c2nn[n-]n2)s1)C1CCCC1 ZINC000824158436 607794442 /nfs/dbraw/zinc/79/44/42/607794442.db2.gz WUUFEARJQCXARO-UHFFFAOYSA-N -1 1 319.434 2.874 20 0 DFADMM CC1(CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCCCC1 ZINC000824818664 607809239 /nfs/dbraw/zinc/80/92/39/607809239.db2.gz UZPLWYUELJNZSU-UHFFFAOYSA-N -1 1 315.377 2.871 20 0 DFADMM Cc1ccccc1CN(c1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC000826307228 607897269 /nfs/dbraw/zinc/89/72/69/607897269.db2.gz ZHQDSQFZCXNERR-UHFFFAOYSA-N -1 1 306.373 2.739 20 0 DFADMM Cc1ccccc1CN(c1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC000826307228 607897270 /nfs/dbraw/zinc/89/72/70/607897270.db2.gz ZHQDSQFZCXNERR-UHFFFAOYSA-N -1 1 306.373 2.739 20 0 DFADMM CCCN(Cc1ccc(OC)cc1)c1cccc(-c2nnn[n-]2)n1 ZINC000825322955 607897937 /nfs/dbraw/zinc/89/79/37/607897937.db2.gz MGWBENAYGUBGHT-UHFFFAOYSA-N -1 1 324.388 2.687 20 0 DFADMM CCCN(Cc1ccc(OC)cc1)c1cccc(-c2nn[n-]n2)n1 ZINC000825322955 607897938 /nfs/dbraw/zinc/89/79/38/607897938.db2.gz MGWBENAYGUBGHT-UHFFFAOYSA-N -1 1 324.388 2.687 20 0 DFADMM CCn1c(C)cc2c1CCC[C@@H]2Nc1cccc(-c2nnn[n-]2)n1 ZINC000825782837 607897949 /nfs/dbraw/zinc/89/79/49/607897949.db2.gz RGFZCBIJTGDYCU-ZDUSSCGKSA-N -1 1 323.404 2.881 20 0 DFADMM CCn1c(C)cc2c1CCC[C@@H]2Nc1cccc(-c2nn[n-]n2)n1 ZINC000825782837 607897950 /nfs/dbraw/zinc/89/79/50/607897950.db2.gz RGFZCBIJTGDYCU-ZDUSSCGKSA-N -1 1 323.404 2.881 20 0 DFADMM CCCN(Cc1ccc(F)cc1)c1cccc(-c2nnn[n-]2)n1 ZINC000825323334 607898098 /nfs/dbraw/zinc/89/80/98/607898098.db2.gz TWWGEUMRALUKOL-UHFFFAOYSA-N -1 1 312.352 2.817 20 0 DFADMM CCCN(Cc1ccc(F)cc1)c1cccc(-c2nn[n-]n2)n1 ZINC000825323334 607898099 /nfs/dbraw/zinc/89/80/99/607898099.db2.gz TWWGEUMRALUKOL-UHFFFAOYSA-N -1 1 312.352 2.817 20 0 DFADMM C[C@@H]1C[C@H](c2ccccc2F)N(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000824899698 607900629 /nfs/dbraw/zinc/90/06/29/607900629.db2.gz NEPKZRKPTYXHSC-IAQYHMDHSA-N -1 1 324.363 2.988 20 0 DFADMM C[C@@H]1C[C@H](c2ccccc2F)N(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000824899698 607900630 /nfs/dbraw/zinc/90/06/30/607900630.db2.gz NEPKZRKPTYXHSC-IAQYHMDHSA-N -1 1 324.363 2.988 20 0 DFADMM [O-]c1ccc(-c2nc3ccc(-c4nn[nH]n4)cc3[nH]2)cc1Cl ZINC000826510944 607974591 /nfs/dbraw/zinc/97/45/91/607974591.db2.gz TWZHLUXTMRTICU-UHFFFAOYSA-N -1 1 312.720 2.769 20 0 DFADMM CC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(Cl)cc1 ZINC000825149194 607988286 /nfs/dbraw/zinc/98/82/86/607988286.db2.gz WXZHTAKOWOJWPV-LLVKDONJSA-N -1 1 315.768 2.873 20 0 DFADMM CC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(Cl)cc1 ZINC000825149194 607988287 /nfs/dbraw/zinc/98/82/87/607988287.db2.gz WXZHTAKOWOJWPV-LLVKDONJSA-N -1 1 315.768 2.873 20 0 DFADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)C1CCCCC1 ZINC000826418606 608023497 /nfs/dbraw/zinc/02/34/97/608023497.db2.gz NXGJPHGMZFLRQD-UHFFFAOYSA-N -1 1 304.325 2.534 20 0 DFADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)C1CCCCC1 ZINC000826418606 608023498 /nfs/dbraw/zinc/02/34/98/608023498.db2.gz NXGJPHGMZFLRQD-UHFFFAOYSA-N -1 1 304.325 2.534 20 0 DFADMM Cc1ccnn1-c1ccccc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000826315864 608135935 /nfs/dbraw/zinc/13/59/35/608135935.db2.gz WWTQDAAJAQABPX-UHFFFAOYSA-N -1 1 321.344 2.566 20 0 DFADMM Cc1ccnn1-c1ccccc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000826315864 608135936 /nfs/dbraw/zinc/13/59/36/608135936.db2.gz WWTQDAAJAQABPX-UHFFFAOYSA-N -1 1 321.344 2.566 20 0 DFADMM C[C@@H](c1cccnc1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC000824772990 608178736 /nfs/dbraw/zinc/17/87/36/608178736.db2.gz XKLSLKYUOUIKIW-ZETCQYMHSA-N -1 1 321.797 2.569 20 0 DFADMM C[C@@H](c1cccnc1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC000824772990 608178738 /nfs/dbraw/zinc/17/87/38/608178738.db2.gz XKLSLKYUOUIKIW-ZETCQYMHSA-N -1 1 321.797 2.569 20 0 DFADMM C[C@@H]1CCC[C@H](C)CN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000824927432 608184957 /nfs/dbraw/zinc/18/49/57/608184957.db2.gz OGLVQMUDZJROAE-JGVFFNPUSA-N -1 1 312.830 2.992 20 0 DFADMM C[C@@H]1CCC[C@H](C)CN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000824927432 608184959 /nfs/dbraw/zinc/18/49/59/608184959.db2.gz OGLVQMUDZJROAE-JGVFFNPUSA-N -1 1 312.830 2.992 20 0 DFADMM CC[C@H](C)CN(CC)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825067365 608188469 /nfs/dbraw/zinc/18/84/69/608188469.db2.gz JULWEZNFYMVOBO-ZETCQYMHSA-N -1 1 300.819 2.849 20 0 DFADMM CC[C@H](C)CN(CC)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825067365 608188471 /nfs/dbraw/zinc/18/84/71/608188471.db2.gz JULWEZNFYMVOBO-ZETCQYMHSA-N -1 1 300.819 2.849 20 0 DFADMM CC(C)c1nsc(Oc2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824371658 608191705 /nfs/dbraw/zinc/19/17/05/608191705.db2.gz NKGWLZQSWMCALC-UHFFFAOYSA-N -1 1 306.326 2.773 20 0 DFADMM CC(C)c1nsc(Oc2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824371658 608191706 /nfs/dbraw/zinc/19/17/06/608191706.db2.gz NKGWLZQSWMCALC-UHFFFAOYSA-N -1 1 306.326 2.773 20 0 DFADMM CCC1(CC)[C@H](Nc2cccc(-c3nnn[n-]3)n2)[C@@H](C)[C@@H]1OC ZINC000825171536 608196947 /nfs/dbraw/zinc/19/69/47/608196947.db2.gz RJIYMVMQLXKMMA-HONMWMINSA-N -1 1 316.409 2.513 20 0 DFADMM CCC1(CC)[C@H](Nc2cccc(-c3nn[n-]n3)n2)[C@@H](C)[C@@H]1OC ZINC000825171536 608196949 /nfs/dbraw/zinc/19/69/49/608196949.db2.gz RJIYMVMQLXKMMA-HONMWMINSA-N -1 1 316.409 2.513 20 0 DFADMM Cc1cccc(C)c1[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826297076 608249211 /nfs/dbraw/zinc/24/92/11/608249211.db2.gz UOBGCVXNAADOQH-GFCCVEGCSA-N -1 1 323.356 2.797 20 0 DFADMM Cc1cccc(C)c1[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826297076 608249214 /nfs/dbraw/zinc/24/92/14/608249214.db2.gz UOBGCVXNAADOQH-GFCCVEGCSA-N -1 1 323.356 2.797 20 0 DFADMM Cc1cc(NCc2ccc(-c3nnn[n-]3)o2)nn1-c1ccccc1 ZINC000826271541 608251981 /nfs/dbraw/zinc/25/19/81/608251981.db2.gz WFOYNMBTHODGKD-UHFFFAOYSA-N -1 1 321.344 2.566 20 0 DFADMM Cc1cc(NCc2ccc(-c3nn[n-]n3)o2)nn1-c1ccccc1 ZINC000826271541 608251983 /nfs/dbraw/zinc/25/19/83/608251983.db2.gz WFOYNMBTHODGKD-UHFFFAOYSA-N -1 1 321.344 2.566 20 0 DFADMM CC(C)(C)c1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000824135265 608405736 /nfs/dbraw/zinc/40/57/36/608405736.db2.gz DARRWWAGLXRBMZ-UHFFFAOYSA-N -1 1 309.377 2.566 20 0 DFADMM CC(C)(C)c1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000824135265 608405738 /nfs/dbraw/zinc/40/57/38/608405738.db2.gz DARRWWAGLXRBMZ-UHFFFAOYSA-N -1 1 309.377 2.566 20 0 DFADMM c1ccc([C@@H]2CCCC[C@@H]2Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826521106 608405884 /nfs/dbraw/zinc/40/58/84/608405884.db2.gz ZSUSXMDBDLVYCZ-KBPBESRZSA-N -1 1 321.388 2.795 20 0 DFADMM c1ccc([C@@H]2CCCC[C@@H]2Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826521106 608405885 /nfs/dbraw/zinc/40/58/85/608405885.db2.gz ZSUSXMDBDLVYCZ-KBPBESRZSA-N -1 1 321.388 2.795 20 0 DFADMM Cc1ccc(-c2nn[n-]n2)nc1NCc1cccc(Cl)c1 ZINC000826280984 608541689 /nfs/dbraw/zinc/54/16/89/608541689.db2.gz YXIYAYOHYICTBN-UHFFFAOYSA-N -1 1 300.753 2.836 20 0 DFADMM CCOc1cccc([C@H]2C[C@@H]2Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC000825648927 608588739 /nfs/dbraw/zinc/58/87/39/608588739.db2.gz GTPDOCSUMLFRGB-HIFRSBDPSA-N -1 1 322.372 2.628 20 0 DFADMM CCOc1cccc([C@H]2C[C@@H]2Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC000825648927 608588740 /nfs/dbraw/zinc/58/87/40/608588740.db2.gz GTPDOCSUMLFRGB-HIFRSBDPSA-N -1 1 322.372 2.628 20 0 DFADMM C[C@@H]1CC(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C[C@@H](C)C1 ZINC000824875992 609161034 /nfs/dbraw/zinc/16/10/34/609161034.db2.gz QCQPJFCPEPONBW-UWVGGRQHSA-N -1 1 315.377 2.583 20 0 DFADMM Cc1cc(NCc2ccc(-c3nn[n-]n3)s2)cnc1Cl ZINC000826271382 609266204 /nfs/dbraw/zinc/26/62/04/609266204.db2.gz OUSNBQGZBUZZDN-UHFFFAOYSA-N -1 1 306.782 2.897 20 0 DFADMM CC(C)CCNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824249659 609277483 /nfs/dbraw/zinc/27/74/83/609277483.db2.gz QLEFIHZIGPJGAV-UHFFFAOYSA-N -1 1 315.356 2.650 20 0 DFADMM CCCCCNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825276342 609278770 /nfs/dbraw/zinc/27/87/70/609278770.db2.gz WQMPOCYXDSYNPG-UHFFFAOYSA-N -1 1 315.356 2.794 20 0 DFADMM CC1(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CCCCCC1 ZINC000824783967 609295451 /nfs/dbraw/zinc/29/54/51/609295451.db2.gz LOGBAOLOWOUOJU-UHFFFAOYSA-N -1 1 315.377 2.665 20 0 DFADMM CC1(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CCCCCC1 ZINC000824783967 609295453 /nfs/dbraw/zinc/29/54/53/609295453.db2.gz LOGBAOLOWOUOJU-UHFFFAOYSA-N -1 1 315.377 2.665 20 0 DFADMM CC(C)Oc1cc(F)ccc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000824319698 609446004 /nfs/dbraw/zinc/44/60/04/609446004.db2.gz YYSGJWSLHMRSHG-UHFFFAOYSA-N -1 1 317.324 2.998 20 0 DFADMM CC(C)Oc1cc(F)ccc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000824319698 609446007 /nfs/dbraw/zinc/44/60/07/609446007.db2.gz YYSGJWSLHMRSHG-UHFFFAOYSA-N -1 1 317.324 2.998 20 0 DFADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2NCC[C@@H]1CCCCO1 ZINC000826523339 609582402 /nfs/dbraw/zinc/58/24/02/609582402.db2.gz JHNYQTCWGFWDJS-LBPRGKRZSA-N -1 1 324.388 2.786 20 0 DFADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2NCC[C@@H]1CCCCO1 ZINC000826523339 609582403 /nfs/dbraw/zinc/58/24/03/609582403.db2.gz JHNYQTCWGFWDJS-LBPRGKRZSA-N -1 1 324.388 2.786 20 0 DFADMM CC(C)(C)[C@@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000824079339 609602188 /nfs/dbraw/zinc/60/21/88/609602188.db2.gz OVPLVUZPXGPFRC-SECBINFHSA-N -1 1 306.801 2.788 20 0 DFADMM CC(C)(C)[C@@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000824079339 609602191 /nfs/dbraw/zinc/60/21/91/609602191.db2.gz OVPLVUZPXGPFRC-SECBINFHSA-N -1 1 306.801 2.788 20 0 DFADMM O=C1SCCN1Cc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278316699 214086204 /nfs/dbraw/zinc/08/62/04/214086204.db2.gz YONQQOAJCOVKPI-UHFFFAOYSA-N -1 1 311.750 2.764 20 0 DFADMM Cc1nn(C)c(C)c1OCc1nc(-c2ccc([O-])cc2F)no1 ZINC000278322888 214090461 /nfs/dbraw/zinc/09/04/61/214090461.db2.gz YZMBPOMAAYPHON-UHFFFAOYSA-N -1 1 318.308 2.511 20 0 DFADMM COC(=O)c1cnc(SCOC(=O)OC2CCCCC2)[n-]1 ZINC000278577988 214249959 /nfs/dbraw/zinc/24/99/59/214249959.db2.gz FINAGKSGTAAISG-UHFFFAOYSA-N -1 1 314.363 2.732 20 0 DFADMM COC(=O)c1c[n-]c(SCOC(=O)OC2CCCCC2)n1 ZINC000278577988 214249961 /nfs/dbraw/zinc/24/99/61/214249961.db2.gz FINAGKSGTAAISG-UHFFFAOYSA-N -1 1 314.363 2.732 20 0 DFADMM CC[C@@H](NC(=O)c1ccc2ccccc2c1[O-])C(OC)OC ZINC000278580093 214251345 /nfs/dbraw/zinc/25/13/45/214251345.db2.gz JJTSHTVYUXDWEB-CQSZACIVSA-N -1 1 303.358 2.673 20 0 DFADMM COC(=O)c1cnc(S[C@@H](C(=O)OC)c2ccccc2C)[n-]1 ZINC000278637616 214293125 /nfs/dbraw/zinc/29/31/25/214293125.db2.gz LFKVOUFHXQBAIN-GFCCVEGCSA-N -1 1 320.370 2.511 20 0 DFADMM COC(=O)c1c[n-]c(S[C@@H](C(=O)OC)c2ccccc2C)n1 ZINC000278637616 214293128 /nfs/dbraw/zinc/29/31/28/214293128.db2.gz LFKVOUFHXQBAIN-GFCCVEGCSA-N -1 1 320.370 2.511 20 0 DFADMM COC(=O)c1cnc(S[C@H](C(=O)OC)c2ccccc2C)[n-]1 ZINC000278637619 214293911 /nfs/dbraw/zinc/29/39/11/214293911.db2.gz LFKVOUFHXQBAIN-LBPRGKRZSA-N -1 1 320.370 2.511 20 0 DFADMM COC(=O)c1c[n-]c(S[C@H](C(=O)OC)c2ccccc2C)n1 ZINC000278637619 214293914 /nfs/dbraw/zinc/29/39/14/214293914.db2.gz LFKVOUFHXQBAIN-LBPRGKRZSA-N -1 1 320.370 2.511 20 0 DFADMM O=C(CSc1nc([O-])cc(=O)n1C1CCCC1)CC1CC1 ZINC000278651460 214303194 /nfs/dbraw/zinc/30/31/94/214303194.db2.gz DKIGNZGKCXSNGP-UHFFFAOYSA-N -1 1 308.403 2.525 20 0 DFADMM O=C(CSc1nc(=O)cc([O-])n1C1CCCC1)CC1CC1 ZINC000278651460 214303198 /nfs/dbraw/zinc/30/31/98/214303198.db2.gz DKIGNZGKCXSNGP-UHFFFAOYSA-N -1 1 308.403 2.525 20 0 DFADMM O=C([O-])CC[C@@H]1CCCCN1CC(=O)Nc1cccc(Cl)c1 ZINC000314951666 231137662 /nfs/dbraw/zinc/13/76/62/231137662.db2.gz VVCODQVBFJQBJX-AWEZNQCLSA-N -1 1 324.808 2.998 20 0 DFADMM Cc1ccc(F)c(S(=O)(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC000315665613 231143502 /nfs/dbraw/zinc/14/35/02/231143502.db2.gz JTDISOPOIIGTCF-UHFFFAOYSA-N -1 1 323.345 2.942 20 0 DFADMM [O-]c1cccc(CNc2ccc(N3CCOCC3)nc2)c1Cl ZINC000328268199 231228319 /nfs/dbraw/zinc/22/83/19/231228319.db2.gz WIFLCPGQCDXYTK-UHFFFAOYSA-N -1 1 319.792 2.889 20 0 DFADMM O=c1cc(C2CC2)nc(S[C@H]2C[C@@H]3CCCC[C@H]3NC2=O)[n-]1 ZINC000522117920 398360360 /nfs/dbraw/zinc/36/03/60/398360360.db2.gz VQNOXMNWIVPBPS-LOWVWBTDSA-N -1 1 319.430 2.599 20 0 DFADMM COc1ccc(Br)c(CN(C)CCCC(=O)[O-])c1 ZINC000087790200 185232234 /nfs/dbraw/zinc/23/22/34/185232234.db2.gz WAXCHQHRSVXLAJ-UHFFFAOYSA-N -1 1 316.195 2.754 20 0 DFADMM Cc1nn(C)c(C)c1Cc1nc(-c2ccc([O-])cc2F)no1 ZINC000278226125 214033381 /nfs/dbraw/zinc/03/33/81/214033381.db2.gz RIIKLZNJXUPTDV-UHFFFAOYSA-N -1 1 302.309 2.522 20 0 DFADMM O=S(=O)([N-]c1scnc1C1CC1)N1CCCCCC1 ZINC000328908121 231383250 /nfs/dbraw/zinc/38/32/50/231383250.db2.gz LYTDNIZVBPNHDV-UHFFFAOYSA-N -1 1 301.437 2.553 20 0 DFADMM C[C@H]1CCc2nc(NC(=O)C(=O)c3ccc([O-])cc3)sc2C1 ZINC000332317674 290654036 /nfs/dbraw/zinc/65/40/36/290654036.db2.gz IZCVTDYVPWHNGG-VIFPVBQESA-N -1 1 316.382 2.795 20 0 DFADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C(N)=O)c2)c1 ZINC000066587196 398386020 /nfs/dbraw/zinc/38/60/20/398386020.db2.gz AZWNHDYEHQIMMJ-UHFFFAOYSA-N -1 1 318.398 2.512 20 0 DFADMM Cc1nc(-c2ccc(NC[C@@H]3CC[C@H](C)O3)nc2)[n-]c(=O)c1C ZINC000413376099 295702842 /nfs/dbraw/zinc/70/28/42/295702842.db2.gz MCPZKURTWJBLLW-HZMBPMFUSA-N -1 1 314.389 2.840 20 0 DFADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2CCCCO2)c1 ZINC000182925841 199510896 /nfs/dbraw/zinc/51/08/96/199510896.db2.gz RQHDQJXSLAVDBS-LLVKDONJSA-N -1 1 314.179 2.971 20 0 DFADMM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1ccc(Br)s1 ZINC000086269878 398420069 /nfs/dbraw/zinc/42/00/69/398420069.db2.gz BDRYIRLQPPIWGM-APPZFPTMSA-N -1 1 304.209 2.806 20 0 DFADMM CCOC(=O)c1c[n-]c(NC(=O)C2(Cc3ccccc3)CC2)n1 ZINC000585682208 398440224 /nfs/dbraw/zinc/44/02/24/398440224.db2.gz HOAVPWTUICQFQE-UHFFFAOYSA-N -1 1 313.357 2.548 20 0 DFADMM CCOC(=O)c1c[n-]c(NC(=O)c2cc3ccc(C)cc3[nH]2)n1 ZINC000585682642 398440310 /nfs/dbraw/zinc/44/03/10/398440310.db2.gz XFZSVRFJBLINDB-UHFFFAOYSA-N -1 1 312.329 2.628 20 0 DFADMM O=C(c1ccc(Cl)cc1[O-])N(CCO)Cc1ccccc1 ZINC000048132753 282381579 /nfs/dbraw/zinc/38/15/79/282381579.db2.gz WHPMGMZOZPADGL-UHFFFAOYSA-N -1 1 305.761 2.680 20 0 DFADMM CCOCCCCNC(=O)c1ccc(Br)cc1[O-] ZINC000049448565 282390428 /nfs/dbraw/zinc/39/04/28/282390428.db2.gz FCHUAMDEDHKDDQ-UHFFFAOYSA-N -1 1 316.195 2.701 20 0 DFADMM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000055637784 282420079 /nfs/dbraw/zinc/42/00/79/282420079.db2.gz NTWQIWFEMQSGQW-UHFFFAOYSA-N -1 1 320.370 2.974 20 0 DFADMM NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000030016825 398494775 /nfs/dbraw/zinc/49/47/75/398494775.db2.gz SAVGPCGLJFMFKA-UHFFFAOYSA-N -1 1 320.348 2.826 20 0 DFADMM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1c(F)cc(OC)cc1F ZINC000588680502 398503350 /nfs/dbraw/zinc/50/33/50/398503350.db2.gz VHEMEHWQQDPPKA-IUCAKERBSA-N -1 1 307.362 2.686 20 0 DFADMM COC[C@H]([N-]S(=O)(=O)c1cc(C)c(C)s1)c1ccco1 ZINC000091043765 398505479 /nfs/dbraw/zinc/50/54/79/398505479.db2.gz SJLZTICNOWYJFJ-NSHDSACASA-N -1 1 315.416 2.624 20 0 DFADMM CCOc1cc(C(=O)NC[C@@H](C)CCOC)cc(Cl)c1[O-] ZINC000413878686 295747002 /nfs/dbraw/zinc/74/70/02/295747002.db2.gz MQQUFXHPFUSCNA-JTQLQIEISA-N -1 1 315.797 2.847 20 0 DFADMM C[C@@H](C(=O)OC(C)(C)C)N(C(=O)c1cc(F)ccc1[O-])C1CC1 ZINC000413913112 295749008 /nfs/dbraw/zinc/74/90/08/295749008.db2.gz JUSSBHYSHDXTNB-JTQLQIEISA-N -1 1 323.364 2.866 20 0 DFADMM CC(C)(C)OC(=O)c1nc(-c2ccc([O-])c(C(N)=O)c2)cs1 ZINC000592996283 398515991 /nfs/dbraw/zinc/51/59/91/398515991.db2.gz VRKZQSCVNSQXHT-UHFFFAOYSA-N -1 1 320.370 2.570 20 0 DFADMM CCN(Cc1cnn(C)c1)C(=O)c1cc2ccccc2cc1[O-] ZINC000068444077 282489853 /nfs/dbraw/zinc/48/98/53/282489853.db2.gz DHMGEYNSUJULTR-UHFFFAOYSA-N -1 1 309.369 2.941 20 0 DFADMM COc1cc(C(=O)NC[C@@H]2C[C@H](C)O[C@@H]2C)cc(Cl)c1[O-] ZINC000414000914 295756236 /nfs/dbraw/zinc/75/62/36/295756236.db2.gz FGGUREQCKVYYKP-NGZCFLSTSA-N -1 1 313.781 2.598 20 0 DFADMM Cc1cc(C2CCN(C(=O)c3ccc([O-])c(F)c3)CC2)[nH]n1 ZINC000681063822 545591281 /nfs/dbraw/zinc/59/12/81/545591281.db2.gz HSCLFHAITZFYPL-UHFFFAOYSA-N -1 1 303.337 2.583 20 0 DFADMM O=C(Nc1cnn(-c2ccncc2)c1)c1c([O-])cc(F)cc1F ZINC000589185640 398533254 /nfs/dbraw/zinc/53/32/54/398533254.db2.gz ILHWITBDHWVHSO-UHFFFAOYSA-N -1 1 316.267 2.503 20 0 DFADMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000074927876 282545199 /nfs/dbraw/zinc/54/51/99/282545199.db2.gz URZHYGCPJQKJHA-UHFFFAOYSA-N -1 1 305.355 2.833 20 0 DFADMM Cc1ccc(-c2noc(CN3CCC[C@](C)(C(=O)[O-])C3)n2)cc1 ZINC000320605780 398548533 /nfs/dbraw/zinc/54/85/33/398548533.db2.gz YUXMVYJSLDBELJ-KRWDZBQOSA-N -1 1 315.373 2.732 20 0 DFADMM CCOC(=O)c1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000589422538 398551117 /nfs/dbraw/zinc/55/11/17/398551117.db2.gz SQMKKSQPDLDZAO-UHFFFAOYSA-N -1 1 303.289 2.960 20 0 DFADMM COc1cc(OC)c(NC(=O)c2cc(F)ccc2[O-])cc1F ZINC000092431176 398575851 /nfs/dbraw/zinc/57/58/51/398575851.db2.gz JEHSLSQDBBKCAO-UHFFFAOYSA-N -1 1 309.268 2.940 20 0 DFADMM Cn1[n-]cc2/c(=N\C(=O)c3ccc(C(C)(C)C)cc3)ccnc1-2 ZINC000279959129 215271849 /nfs/dbraw/zinc/27/18/49/215271849.db2.gz YAMXKEOHQZZNKX-QNGOZBTKSA-N -1 1 308.385 2.892 20 0 DFADMM CC(C)n1c(CCNc2nc(C3CC3)ns2)n[n-]c1=S ZINC000092655452 398589964 /nfs/dbraw/zinc/58/99/64/398589964.db2.gz ICTIPBQCWVAERG-UHFFFAOYSA-N -1 1 310.452 2.905 20 0 DFADMM CC(C)c1nsc(NCCn2c(=S)[n-]nc2C2CC2)n1 ZINC000092663484 398592043 /nfs/dbraw/zinc/59/20/43/398592043.db2.gz IUOVLYONULQYMA-UHFFFAOYSA-N -1 1 310.452 2.905 20 0 DFADMM CCc1nsc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000092687628 398595634 /nfs/dbraw/zinc/59/56/34/398595634.db2.gz DIUSOXFWSRETTJ-UHFFFAOYSA-N -1 1 317.414 2.905 20 0 DFADMM CCCc1cc([N-]S(=O)(=O)Cc2ccc(F)cc2F)n[nH]1 ZINC000092864691 398604134 /nfs/dbraw/zinc/60/41/34/398604134.db2.gz YBIDXWXKUYTSST-UHFFFAOYSA-N -1 1 315.345 2.582 20 0 DFADMM CS[C@@H](C)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043008874 398610331 /nfs/dbraw/zinc/61/03/31/398610331.db2.gz MYQQNHRHTQLKER-NSHDSACASA-N -1 1 307.415 2.565 20 0 DFADMM COC(=O)c1c[n-]c(SCC(=O)c2ccc(Cl)cc2)n1 ZINC000143089456 186033412 /nfs/dbraw/zinc/03/34/12/186033412.db2.gz AONCPRCBLSYARV-UHFFFAOYSA-N -1 1 310.762 2.825 20 0 DFADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cccc(Cl)c1F ZINC000150757510 186064109 /nfs/dbraw/zinc/06/41/09/186064109.db2.gz SLHMYKTZMLHVBH-UHFFFAOYSA-N -1 1 308.622 2.868 20 0 DFADMM COC(=O)c1cccc(NC(=O)c2cc(F)ccc2[O-])c1C ZINC000093924376 398651132 /nfs/dbraw/zinc/65/11/32/398651132.db2.gz KOHOEXVORISMGV-UHFFFAOYSA-N -1 1 303.289 2.879 20 0 DFADMM O=C(c1cncc([O-])c1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000072346729 191127404 /nfs/dbraw/zinc/12/74/04/191127404.db2.gz FKXRWLAEVTYHKC-OAHLLOKOSA-N -1 1 308.341 2.641 20 0 DFADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cnc(C(C)C)nc2)c1 ZINC000280042114 215333626 /nfs/dbraw/zinc/33/36/26/215333626.db2.gz WVMLQMDKJVHVCP-UHFFFAOYSA-N -1 1 314.345 2.516 20 0 DFADMM O=C(NCCCNc1ccccn1)c1cc(Cl)ccc1[O-] ZINC000115161901 282735497 /nfs/dbraw/zinc/73/54/97/282735497.db2.gz FZNKRDGCKANUGA-UHFFFAOYSA-N -1 1 305.765 2.673 20 0 DFADMM COC(=O)NCc1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000117168485 282745164 /nfs/dbraw/zinc/74/51/64/282745164.db2.gz CFCYCTUPTAKYSN-UHFFFAOYSA-N -1 1 300.314 2.501 20 0 DFADMM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1C ZINC000096697673 398661227 /nfs/dbraw/zinc/66/12/27/398661227.db2.gz WEQAWYDRLPKFGY-UHFFFAOYSA-N -1 1 321.354 2.503 20 0 DFADMM CCCn1ccnc1CCCN(C)C(=O)c1ccc([O-])cc1F ZINC000277196885 213360769 /nfs/dbraw/zinc/36/07/69/213360769.db2.gz CFGOAKOLOYOXKU-UHFFFAOYSA-N -1 1 319.380 2.843 20 0 DFADMM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)[N-]CC(F)F ZINC000173809536 198255023 /nfs/dbraw/zinc/25/50/23/198255023.db2.gz QHIKEQBRWWCOPE-UHFFFAOYSA-N -1 1 304.145 2.678 20 0 DFADMM CC(F)(F)CCNC(=O)c1ccc(Br)c([O-])c1 ZINC000357770365 535205508 /nfs/dbraw/zinc/20/55/08/535205508.db2.gz FWUXDCMUSOQNLI-UHFFFAOYSA-N -1 1 308.122 2.930 20 0 DFADMM O=C([N-]c1nnc(Cc2ccccc2F)s1)c1cocn1 ZINC000108208163 398707735 /nfs/dbraw/zinc/70/77/35/398707735.db2.gz JPWVLSDDVICTTE-UHFFFAOYSA-N -1 1 304.306 2.508 20 0 DFADMM COc1ccccc1O[C@H](C)CNC(=O)c1c([O-])cccc1F ZINC000126753428 282921423 /nfs/dbraw/zinc/92/14/23/282921423.db2.gz FPSWZHNEVZTWOW-LLVKDONJSA-N -1 1 319.332 2.737 20 0 DFADMM O=C(NCc1ccccc1-n1ccnc1)c1ccc([O-])c(F)c1 ZINC000681063654 545591431 /nfs/dbraw/zinc/59/14/31/545591431.db2.gz FHUXAMQWAPUKLK-UHFFFAOYSA-N -1 1 311.316 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O=C(c1ncccc1[O-])N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC000131843609 196203868 /nfs/dbraw/zinc/20/38/68/196203868.db2.gz BUXQGVYNEUOEPP-KBPBESRZSA-N -1 1 316.401 2.931 20 0 DFADMM CSCCCC[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000132701161 196277524 /nfs/dbraw/zinc/27/75/24/196277524.db2.gz WSHOVTXXTACZRU-UHFFFAOYSA-N -1 1 311.831 2.901 20 0 DFADMM Cc1nc([C@H]2CCCCCN2C(=O)c2ccc([O-])c(F)c2)no1 ZINC000681068319 545592766 /nfs/dbraw/zinc/59/27/66/545592766.db2.gz PYMXUZYRUKSSEZ-CYBMUJFWSA-N -1 1 319.336 2.980 20 0 DFADMM O=C(NCCCNc1cccc(F)c1)c1ccc([O-])c(F)c1 ZINC000681070727 545592674 /nfs/dbraw/zinc/59/26/74/545592674.db2.gz YMNXLDLDXAVILI-UHFFFAOYSA-N -1 1 306.312 2.902 20 0 DFADMM C[C@H]1CC(C)(C)C[C@](CO)(NC(=O)c2ccc([O-])c(F)c2)C1 ZINC000681069874 545592747 /nfs/dbraw/zinc/59/27/47/545592747.db2.gz NZCMOYYZBCELJI-APPDUMDISA-N -1 1 309.381 2.838 20 0 DFADMM CSc1n[nH]c(NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)n1 ZINC000667618741 543642219 /nfs/dbraw/zinc/64/22/19/543642219.db2.gz HATDVRGSIDWBCT-CPCISQLKSA-N 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544166487 /nfs/dbraw/zinc/16/64/87/544166487.db2.gz LREJEXCHHYLPQX-ONGXEEELSA-N -1 1 315.291 2.764 20 0 DFADMM Cc1nc(C)c(S(=O)(=O)[N-]C2(C(F)F)CCCC2)s1 ZINC000673586262 544185344 /nfs/dbraw/zinc/18/53/44/544185344.db2.gz JTRXFCCFYCRUGM-UHFFFAOYSA-N -1 1 310.391 2.616 20 0 DFADMM O=C(NC[C@@H](CO)c1ccc(Cl)cc1)c1ccc([O-])cc1F ZINC000673377744 544177445 /nfs/dbraw/zinc/17/74/45/544177445.db2.gz UPUYBXYSOZMJBH-NSHDSACASA-N -1 1 323.751 2.691 20 0 DFADMM CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(F)cc(OC)cc1F ZINC000675036455 544281988 /nfs/dbraw/zinc/28/19/88/544281988.db2.gz JDDOXVKXQLHAIP-ZANVPECISA-N -1 1 319.373 2.830 20 0 DFADMM O=C([O-])C[C@H]1CCCN(Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000676232493 544364907 /nfs/dbraw/zinc/36/49/07/544364907.db2.gz CVROFQTYVAKWLR-CYBMUJFWSA-N -1 1 317.364 2.698 20 0 DFADMM Cc1n[nH]c([N-]S(=O)(=O)c2cc(C)cc3cccnc32)c1C ZINC000676634090 544389623 /nfs/dbraw/zinc/38/96/23/544389623.db2.gz QMIQTKMAWIRKKL-UHFFFAOYSA-N -1 1 316.386 2.684 20 0 DFADMM Cc1[nH]nc(C(=O)Nc2cccc(Oc3ccccn3)c2)c1[O-] ZINC000676699519 544393820 /nfs/dbraw/zinc/39/38/20/544393820.db2.gz OACTUUUALZFRAV-UHFFFAOYSA-N -1 1 310.313 2.863 20 0 DFADMM O=C(c1ccc(Br)c([O-])c1)N1CC2(CC(F)C2)C1 ZINC000677930460 544567571 /nfs/dbraw/zinc/56/75/71/544567571.db2.gz OLZCQIMYRDUGFH-UHFFFAOYSA-N -1 1 314.154 2.729 20 0 DFADMM COCc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)cc1 ZINC000678716522 544711538 /nfs/dbraw/zinc/71/15/38/544711538.db2.gz GCGOZJLSBCWQFM-UHFFFAOYSA-N -1 1 323.418 2.654 20 0 DFADMM Cc1nn(C)c2c1N(C(=O)c1cc3ccccc3cc1[O-])CCO2 ZINC000678933774 544752149 /nfs/dbraw/zinc/75/21/49/544752149.db2.gz MDEWUIHOVQTQJR-UHFFFAOYSA-N -1 1 323.352 2.627 20 0 DFADMM C[C@@H]1COCCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000678965514 544758088 /nfs/dbraw/zinc/75/80/88/544758088.db2.gz VMBNCCJTXLBRTI-SECBINFHSA-N -1 1 303.280 2.662 20 0 DFADMM C[C@H]1CCN(C(=O)c2ccc(Br)cc2[O-])C[C@H]1F ZINC000679256502 544815421 /nfs/dbraw/zinc/81/54/21/544815421.db2.gz YTGVYTVOOYZTSR-GZMMTYOYSA-N -1 1 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Cc1nccnc1CN1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000634693371 430081583 /nfs/dbraw/zinc/08/15/83/430081583.db2.gz WRHDIGMLBJXYGW-GDBMZVCRSA-N -1 1 303.406 2.640 20 0 DFADMM O=C([O-])C12CCC(CC1)N2Cc1ncccc1C(F)(F)F ZINC000634696155 430082904 /nfs/dbraw/zinc/08/29/04/430082904.db2.gz LYMLODHSAATGRO-UHFFFAOYSA-N -1 1 300.280 2.682 20 0 DFADMM Cc1cc(C)c(O)c([N-]S(=O)(=O)c2ccc(N(C)C)cc2)c1 ZINC000634796739 430115962 /nfs/dbraw/zinc/11/59/62/430115962.db2.gz DESTZENDRCFXSI-UHFFFAOYSA-N -1 1 320.414 2.876 20 0 DFADMM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc3ccccc3o2)C1(C)C ZINC000530770811 430123290 /nfs/dbraw/zinc/12/32/90/430123290.db2.gz CNLBFTNSUBENSO-QWHCGFSZSA-N -1 1 309.387 2.525 20 0 DFADMM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1n[nH]c(C(C)C)n1 ZINC000580660558 430141678 /nfs/dbraw/zinc/14/16/78/430141678.db2.gz REMCHRQPVIFNJN-CQSZACIVSA-N -1 1 316.405 2.966 20 0 DFADMM CO[C@H](C)C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000580665447 430142026 /nfs/dbraw/zinc/14/20/26/430142026.db2.gz BNYNFCMXOXVJFU-RXMQYKEDSA-N -1 1 308.559 2.782 20 0 DFADMM O=C([N-]c1ncn(Cc2ccccc2)n1)c1sccc1F ZINC000581144715 430182071 /nfs/dbraw/zinc/18/20/71/430182071.db2.gz PFTLHLIYVXMGNG-UHFFFAOYSA-N -1 1 302.334 2.779 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1Cc2ccccc2[C@@H]1C ZINC000541243373 430187116 /nfs/dbraw/zinc/18/71/16/430187116.db2.gz GFDPNISWGVCXHF-JTQLQIEISA-N -1 1 315.398 2.930 20 0 DFADMM COC[C@]1(C(=O)[O-])CCN(Cc2csc(C3CCCC3)n2)C1 ZINC000581256116 430191894 /nfs/dbraw/zinc/19/18/94/430191894.db2.gz MRKBILFYHHTADC-INIZCTEOSA-N -1 1 324.446 2.724 20 0 DFADMM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2ncccc2C(F)(F)F)C1 ZINC000635017067 430198127 /nfs/dbraw/zinc/19/81/27/430198127.db2.gz DGELCEUZZNELLF-VHSXEESVSA-N -1 1 302.296 2.643 20 0 DFADMM O=C(NCc1cc2n(n1)CCCC2)c1cc(Cl)ccc1[O-] ZINC000640626787 430219285 /nfs/dbraw/zinc/21/92/85/430219285.db2.gz NIMQLEZSQVJZKA-UHFFFAOYSA-N -1 1 305.765 2.508 20 0 DFADMM O=C(NCc1cc2n(n1)CCCC2)c1ccc(Cl)cc1[O-] ZINC000640626781 430219766 /nfs/dbraw/zinc/21/97/66/430219766.db2.gz NECVLLAQWFBSKT-UHFFFAOYSA-N -1 1 305.765 2.508 20 0 DFADMM CC(C)(C)C[C@H](NC(=O)CCCc1nn[n-]n1)c1ccccc1 ZINC000635296647 430246363 /nfs/dbraw/zinc/24/63/63/430246363.db2.gz KGJJTVMGVBGQIF-AWEZNQCLSA-N -1 1 315.421 2.816 20 0 DFADMM CCN(Cc1cc(C(=O)[O-])nn1C)[C@@H](C)c1cccc(OC)c1 ZINC000635299776 430247068 /nfs/dbraw/zinc/24/70/68/430247068.db2.gz XXSPPBAMADZKLM-LBPRGKRZSA-N -1 1 317.389 2.710 20 0 DFADMM COC(=O)c1c[n-]c(SCCC=Cc2cncc(OC)c2)n1 ZINC000566209608 430247713 /nfs/dbraw/zinc/24/77/13/430247713.db2.gz JJPCSVGSZYLDMX-HWKANZROSA-N -1 1 319.386 2.796 20 0 DFADMM CCO[C@@H]1C[C@@H](N(C)Cc2cc(C(=O)[O-])nn2C)C1(CC)CC ZINC000635304237 430249785 /nfs/dbraw/zinc/24/97/85/430249785.db2.gz QYIOCNCRHFNUIJ-HUUCEWRRSA-N -1 1 323.437 2.534 20 0 DFADMM CCOc1ccccc1[C@H](CC)NCc1cc(C(=O)[O-])nn1C ZINC000635306704 430250364 /nfs/dbraw/zinc/25/03/64/430250364.db2.gz WOFQAJSKCMIVKK-AWEZNQCLSA-N -1 1 317.389 2.758 20 0 DFADMM COc1cc(CN(CCC(F)(F)F)CC(=O)[O-])cc(OC)c1 ZINC000566360843 430253915 /nfs/dbraw/zinc/25/39/15/430253915.db2.gz BFQYDNAXNMREDZ-UHFFFAOYSA-N -1 1 321.295 2.543 20 0 DFADMM Cn1ncc2cc(C(=O)Nc3ccc([O-])c(Cl)c3)cnc21 ZINC000543746192 430263131 /nfs/dbraw/zinc/26/31/31/430263131.db2.gz VJLOYCLIZIOCAU-UHFFFAOYSA-N -1 1 302.721 2.580 20 0 DFADMM COc1cc(C(=O)Nc2cc(C(C)C)[nH]n2)cc(Cl)c1[O-] ZINC000567172858 430277895 /nfs/dbraw/zinc/27/78/95/430277895.db2.gz AYVYXLSZCHOPHC-UHFFFAOYSA-N -1 1 309.753 3.153 20 0 DFADMM CCCCN(C(=O)CCCc1nn[n-]n1)[C@@H](C)c1ccc(C)o1 ZINC000635448620 430280894 /nfs/dbraw/zinc/28/08/94/430280894.db2.gz WJWFEJDMUXKZBN-ZDUSSCGKSA-N -1 1 319.409 2.814 20 0 DFADMM CC(C)[C@H]1CN(c2c(C(=O)[O-])c[nH+]c3ccccc32)CC[N@H+]1C ZINC000582244143 430281969 /nfs/dbraw/zinc/28/19/69/430281969.db2.gz MWVUOINMENDJOP-MRXNPFEDSA-N -1 1 313.401 2.709 20 0 DFADMM CSc1nc(CNC(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)cc(=O)[n-]1 ZINC000640656312 430226532 /nfs/dbraw/zinc/22/65/32/430226532.db2.gz XTLXJFOHYQRNTJ-GARJFASQSA-N -1 1 309.435 2.593 20 0 DFADMM CSc1nc(CNC(=O)c2cccc(C(C)C)c2)cc(=O)[n-]1 ZINC000640654839 430226735 /nfs/dbraw/zinc/22/67/35/430226735.db2.gz BGUNFSFXKFVKGK-UHFFFAOYSA-N -1 1 317.414 2.958 20 0 DFADMM Cc1nnsc1CN(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000581829651 430240751 /nfs/dbraw/zinc/24/07/51/430240751.db2.gz FQBZVXXIQIFXAX-NSHDSACASA-N -1 1 305.403 2.569 20 0 DFADMM CCC[C@@H](C)S(=O)(=O)[N-]c1ccn(Cc2ccccc2)n1 ZINC000582304307 430288340 /nfs/dbraw/zinc/28/83/40/430288340.db2.gz IZWWLZQJRXLMLB-CYBMUJFWSA-N -1 1 307.419 2.862 20 0 DFADMM Cn1ncc2ccc(CNC(=O)c3cc(Cl)ccc3[O-])cc21 ZINC000582394165 430296214 /nfs/dbraw/zinc/29/62/14/430296214.db2.gz KPVAYYKQYKKZDH-UHFFFAOYSA-N -1 1 315.760 2.862 20 0 DFADMM CCOc1cc(C(=O)N[C@@H](COC)C(C)C)cc(Cl)c1[O-] ZINC000545148081 430301894 /nfs/dbraw/zinc/30/18/94/430301894.db2.gz GLCRWOJQUHAZJQ-LBPRGKRZSA-N -1 1 315.797 2.845 20 0 DFADMM C[C@@H]1CN(c2c(C(=O)[O-])cnc3ccccc32)C[C@H](C2CC2)O1 ZINC000582728241 430328265 /nfs/dbraw/zinc/32/82/65/430328265.db2.gz YSMPTHZZBLJTBM-BDJLRTHQSA-N -1 1 312.369 2.937 20 0 DFADMM Cc1cnc(S[C@@H]2CCCN(c3ccccc3)C2=O)[n-]c1=O ZINC000568270783 430342163 /nfs/dbraw/zinc/34/21/63/430342163.db2.gz RNCNLKXGDKYKLT-CYBMUJFWSA-N -1 1 315.398 2.778 20 0 DFADMM O=C([O-])COCCN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000582909197 430348118 /nfs/dbraw/zinc/34/81/18/430348118.db2.gz ILBKXTIWWQYOAB-GFCCVEGCSA-N -1 1 306.387 2.534 20 0 DFADMM Cc1sc(NC(=O)CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c(C)c1C ZINC000583630457 430413911 /nfs/dbraw/zinc/41/39/11/430413911.db2.gz CZDWEBDOKBHNSF-RNCFNFMXSA-N -1 1 324.446 2.654 20 0 DFADMM C[C@@H]1CC(C[N-]S(=O)(=O)c2cc3ccccc3o2)C[C@@H](C)O1 ZINC000546972786 430375279 /nfs/dbraw/zinc/37/52/79/430375279.db2.gz DJECYSLBVOARFN-VXGBXAGGSA-N -1 1 323.414 2.915 20 0 DFADMM CC(C)c1nnc([N-][C@@H](c2nccn2C)c2ccc(F)cc2)o1 ZINC000583244394 430378109 /nfs/dbraw/zinc/37/81/09/430378109.db2.gz NCTGZBUHAYMUSU-CYBMUJFWSA-N -1 1 315.352 3.267 20 0 DFADMM Cc1nnc([C@H](C)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)s1 ZINC000583267662 430379022 /nfs/dbraw/zinc/37/90/22/430379022.db2.gz AZHUHSBTGGHZIV-MEDUHNTESA-N -1 1 317.414 2.636 20 0 DFADMM COc1ccc(C)cc1CN[C@H](CC(=O)[O-])c1ccncc1 ZINC000583333332 430386806 /nfs/dbraw/zinc/38/68/06/430386806.db2.gz LPTJSSXESGFEGO-OAHLLOKOSA-N -1 1 300.358 2.704 20 0 DFADMM CC(C)(C)c1nc(CNC2(c3nn[n-]n3)CCCC2)cs1 ZINC000547449039 430394870 /nfs/dbraw/zinc/39/48/70/430394870.db2.gz RANRBLSTPUCGHW-UHFFFAOYSA-N -1 1 306.439 2.513 20 0 DFADMM C[C@H](CN(Cc1nccn1Cc1ccccc1)C1CC1)C(=O)[O-] ZINC000569231218 430435018 /nfs/dbraw/zinc/43/50/18/430435018.db2.gz OBPAHBNCMPUMTP-CQSZACIVSA-N -1 1 313.401 2.617 20 0 DFADMM CC(=O)c1cccc([N-]S(=O)(=O)CCC2CCCC2)c1O ZINC000641686521 430443819 /nfs/dbraw/zinc/44/38/19/430443819.db2.gz VEZGOFXUJCOHBN-UHFFFAOYSA-N -1 1 311.403 2.917 20 0 DFADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)C(CC)CC)n[n-]1 ZINC000548067777 430444736 /nfs/dbraw/zinc/44/47/36/430444736.db2.gz UBKCSBLKUMLJDB-GFCCVEGCSA-N -1 1 324.425 2.621 20 0 DFADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)C(CC)CC)[n-]1 ZINC000548067777 430444740 /nfs/dbraw/zinc/44/47/40/430444740.db2.gz UBKCSBLKUMLJDB-GFCCVEGCSA-N -1 1 324.425 2.621 20 0 DFADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)C(CC)CC)n1 ZINC000548067777 430444742 /nfs/dbraw/zinc/44/47/42/430444742.db2.gz UBKCSBLKUMLJDB-GFCCVEGCSA-N -1 1 324.425 2.621 20 0 DFADMM C[C@H]([N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1)C(F)F ZINC000641702088 430445518 /nfs/dbraw/zinc/44/55/18/430445518.db2.gz MRPZIDCNVPKCKG-ZETCQYMHSA-N -1 1 317.279 2.778 20 0 DFADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1CCCC[C@H]1C1CC1 ZINC000569366124 430447274 /nfs/dbraw/zinc/44/72/74/430447274.db2.gz QTJBGBGVYWJHNY-DTWKUNHWSA-N -1 1 302.300 2.978 20 0 DFADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1CCCC[C@@H]1C1CC1 ZINC000569366126 430448008 /nfs/dbraw/zinc/44/80/08/430448008.db2.gz QTJBGBGVYWJHNY-RKDXNWHRSA-N -1 1 302.300 2.978 20 0 DFADMM O=C([O-])C1(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)CC1 ZINC000569463905 430456937 /nfs/dbraw/zinc/45/69/37/430456937.db2.gz SGJUWVNKIRNVBZ-UHFFFAOYSA-N -1 1 305.218 2.668 20 0 DFADMM CO[C@@H]1Cc2ccccc2N(C(=O)c2ccc([O-])cc2F)C1 ZINC000374481025 277694401 /nfs/dbraw/zinc/69/44/01/277694401.db2.gz YSRVVCFVQDEQSO-CYBMUJFWSA-N -1 1 301.317 2.749 20 0 DFADMM Cc1ccc(NC(=O)CN2CCC[C@@H](CC(=O)[O-])CC2)c(C)c1 ZINC000641792785 430474991 /nfs/dbraw/zinc/47/49/91/430474991.db2.gz DUXOQVDIBIADMU-OAHLLOKOSA-N -1 1 318.417 2.819 20 0 DFADMM O=C(NCc1nc2cc(F)ccc2o1)c1ccc([O-])cc1F ZINC000569158086 430428707 /nfs/dbraw/zinc/42/87/07/430428707.db2.gz OAKDFJZSGQCHIC-UHFFFAOYSA-N -1 1 304.252 2.742 20 0 DFADMM C[C@]1(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CCNC1=O ZINC000636242807 430493094 /nfs/dbraw/zinc/49/30/94/430493094.db2.gz LDSPUQSKCIGCDJ-INIZCTEOSA-N -1 1 318.760 2.664 20 0 DFADMM C[C@@H](CC(=O)[O-])N(C)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000569869190 430493176 /nfs/dbraw/zinc/49/31/76/430493176.db2.gz QVZKCEUMOTXRJG-VIFPVBQESA-N -1 1 321.764 2.665 20 0 DFADMM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1scnc1C1CC1 ZINC000636355442 430521642 /nfs/dbraw/zinc/52/16/42/430521642.db2.gz PERWAWAGUJBCJF-QMMMGPOBSA-N -1 1 322.415 2.976 20 0 DFADMM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1ccc(C(F)F)o1 ZINC000636359959 430522958 /nfs/dbraw/zinc/52/29/58/430522958.db2.gz WIGKNNNWBBIPRQ-QMMMGPOBSA-N -1 1 315.301 3.173 20 0 DFADMM Cc1cccc(CS(=O)(=O)[N-]c2cc3c(cn2)CCC3)c1 ZINC000570642718 430561711 /nfs/dbraw/zinc/56/17/11/430561711.db2.gz UPSZEABOGDPPMO-UHFFFAOYSA-N -1 1 302.399 2.821 20 0 DFADMM C[C@@H](c1ccc(C(=O)[O-])o1)[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000570649550 430562994 /nfs/dbraw/zinc/56/29/94/430562994.db2.gz LMTPPPCEKDEUGC-DRZSPHRISA-N -1 1 321.398 2.808 20 0 DFADMM C[C@H]1CCN(Cc2cc(-c3cccs3)on2)C[C@H]1C(=O)[O-] ZINC000570801677 430578093 /nfs/dbraw/zinc/57/80/93/430578093.db2.gz VWYLYYFINZDFPN-CMPLNLGQSA-N -1 1 306.387 2.946 20 0 DFADMM O=C(CSc1ccc(C2CCCCC2)cc1)Nc1nnn[n-]1 ZINC000570807821 430578267 /nfs/dbraw/zinc/57/82/67/430578267.db2.gz KSHQOLAWUMKNND-UHFFFAOYSA-N -1 1 317.418 2.978 20 0 DFADMM O=C(CSc1ccc(C2CCCCC2)cc1)Nc1nn[n-]n1 ZINC000570807821 430578275 /nfs/dbraw/zinc/57/82/75/430578275.db2.gz KSHQOLAWUMKNND-UHFFFAOYSA-N -1 1 317.418 2.978 20 0 DFADMM COc1cc(C(=O)Nc2cc([C@@H]3C[C@H]3C)[nH]n2)cc(Cl)c1[O-] ZINC000616443918 430586337 /nfs/dbraw/zinc/58/63/37/430586337.db2.gz SRQCJBGXHPXEIS-VXNVDRBHSA-N -1 1 321.764 3.153 20 0 DFADMM C[C@H]1CCN(Cc2coc(-c3ccccc3)n2)C[C@H]1C(=O)[O-] ZINC000570964687 430592557 /nfs/dbraw/zinc/59/25/57/430592557.db2.gz WYQQBTIIMMEJFD-SWLSCSKDSA-N -1 1 300.358 2.884 20 0 DFADMM O=C(c1ccc2ccccc2c1[O-])N1CCOc2ccncc21 ZINC000552438373 430596658 /nfs/dbraw/zinc/59/66/58/430596658.db2.gz TXSKFRMEPVZOHM-UHFFFAOYSA-N -1 1 306.321 2.980 20 0 DFADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2ccn(-c3cccc(F)c3)n2)C1 ZINC000643436105 430599827 /nfs/dbraw/zinc/59/98/27/430599827.db2.gz GZJTVKBKNKHRFE-CHWSQXEVSA-N -1 1 317.364 2.554 20 0 DFADMM CCc1nc(SCc2occc2C(=O)OC)[n-]c(=O)c1C ZINC000571897121 430660784 /nfs/dbraw/zinc/66/07/84/430660784.db2.gz PHCHAQGDJDDDRJ-UHFFFAOYSA-N -1 1 308.359 2.725 20 0 DFADMM O=C1CN(Cc2ccccc2)[C@@H](c2cccc([O-])c2Cl)N1 ZINC000639413812 430636583 /nfs/dbraw/zinc/63/65/83/430636583.db2.gz IBOAGBVWEFABRL-INIZCTEOSA-N -1 1 302.761 2.676 20 0 DFADMM CCC[C@H](C)C(=O)N[C@@H](CC(C)C)c1n[n-]c(C(=O)OCC)n1 ZINC000571584176 430639429 /nfs/dbraw/zinc/63/94/29/430639429.db2.gz NWEOWPGIBWHGOJ-RYUDHWBXSA-N -1 1 324.425 2.621 20 0 DFADMM CCC[C@H](C)C(=O)N[C@@H](CC(C)C)c1nnc(C(=O)OCC)[n-]1 ZINC000571584176 430639432 /nfs/dbraw/zinc/63/94/32/430639432.db2.gz NWEOWPGIBWHGOJ-RYUDHWBXSA-N -1 1 324.425 2.621 20 0 DFADMM CCC[C@H](C)C(=O)N[C@@H](CC(C)C)c1nc(C(=O)OCC)n[n-]1 ZINC000571584176 430639435 /nfs/dbraw/zinc/63/94/35/430639435.db2.gz NWEOWPGIBWHGOJ-RYUDHWBXSA-N -1 1 324.425 2.621 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@H]1CCC[C@@H]1C1CC1 ZINC000571741773 430649562 /nfs/dbraw/zinc/64/95/62/430649562.db2.gz JQUUXFKUXCAPMY-VXGBXAGGSA-N -1 1 321.446 2.769 20 0 DFADMM 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O=C(N[C@@H]1CCO[C@@H](c2cccnc2)C1)c1ccc([O-])c(F)c1 ZINC000649065873 430993301 /nfs/dbraw/zinc/99/33/01/430993301.db2.gz WTDOGUOPPYMEIW-CZUORRHYSA-N -1 1 316.332 2.576 20 0 DFADMM CN(c1nc(CN2CCC[C@H](CC(=O)[O-])CC2)cs1)C1CC1 ZINC000662202971 430995467 /nfs/dbraw/zinc/99/54/67/430995467.db2.gz ACMWYDODHWPDBL-LBPRGKRZSA-N -1 1 323.462 2.819 20 0 DFADMM C[C@@H](CN(C)Cc1ncc(Br)cc1Cl)C(=O)[O-] ZINC000662210668 430999953 /nfs/dbraw/zinc/99/99/53/430999953.db2.gz JBDSWJGMQMVGIW-ZETCQYMHSA-N -1 1 321.602 2.650 20 0 DFADMM Cc1ccc2c([O-])c(C(=O)N3CC[C@H](C4CCC4)C3)cnc2n1 ZINC000665677644 431000571 /nfs/dbraw/zinc/00/05/71/431000571.db2.gz BCJXOJACMPUNQE-ZDUSSCGKSA-N -1 1 311.385 2.906 20 0 DFADMM Cc1ccc2c(=O)c(C(=O)N3CC[C@H](C4CCC4)C3)c[n-]c2n1 ZINC000665677644 431000573 /nfs/dbraw/zinc/00/05/73/431000573.db2.gz BCJXOJACMPUNQE-ZDUSSCGKSA-N -1 1 311.385 2.906 20 0 DFADMM C[C@@H](C(=O)Nc1ccccc1)N1CCC(CCC(=O)[O-])CC1 ZINC000662219285 431002146 /nfs/dbraw/zinc/00/21/46/431002146.db2.gz 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431069943 /nfs/dbraw/zinc/06/99/43/431069943.db2.gz CVORELARQXZGGN-JTQLQIEISA-N -1 1 321.389 2.694 20 0 DFADMM CCN(CC)[C@H](C(=O)NC[C@H](C(=O)[O-])C(C)C)c1ccccc1 ZINC000655567170 431049920 /nfs/dbraw/zinc/04/99/20/431049920.db2.gz LNSAIWCCTPMDPC-HOTGVXAUSA-N -1 1 320.433 2.543 20 0 DFADMM Cc1n[nH]c(C(C)C)c1C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655576312 431052766 /nfs/dbraw/zinc/05/27/66/431052766.db2.gz PLTKEAKEZZZGCU-ADEWGFFLSA-N -1 1 321.421 2.707 20 0 DFADMM CCOc1cccc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)n1 ZINC000652470497 431061638 /nfs/dbraw/zinc/06/16/38/431061638.db2.gz ZGXSMQWTFRCMHD-MRXNPFEDSA-N -1 1 312.369 2.664 20 0 DFADMM O=C([O-])CCN(Cc1nc(-c2ccc(F)cc2)no1)CC1CC1 ZINC000652468437 431062384 /nfs/dbraw/zinc/06/23/84/431062384.db2.gz HCKBZYRXRAURCL-UHFFFAOYSA-N -1 1 319.336 2.562 20 0 DFADMM CCOCCCN(Cc1noc2c1CCCC2)C[C@H](C)C(=O)[O-] ZINC000652481007 431066291 /nfs/dbraw/zinc/06/62/91/431066291.db2.gz YHGZFJRLRWSIMG-ZDUSSCGKSA-N -1 1 324.421 2.503 20 0 DFADMM O=C([O-])c1ccc2c(c1)CN(CCN1CCc3ccccc31)C2 ZINC000659790541 431110283 /nfs/dbraw/zinc/11/02/83/431110283.db2.gz HLYOZTSHZFFJRP-UHFFFAOYSA-N -1 1 308.381 2.763 20 0 DFADMM O=C([O-])c1ccc(CN2CCOC(C3CC3)(C3CC3)C2)s1 ZINC000659799380 431116996 /nfs/dbraw/zinc/11/69/96/431116996.db2.gz CFLOLONAQUOYFE-UHFFFAOYSA-N -1 1 307.415 2.837 20 0 DFADMM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CC[C@@]2(O)C[C@H]2C1 ZINC000659800067 431117653 /nfs/dbraw/zinc/11/76/53/431117653.db2.gz NGIDPQOYZZOCFU-DUFXMDAXSA-N -1 1 316.184 2.576 20 0 DFADMM COC1(C(F)(F)F)CCN(Cc2csc(C(=O)[O-])c2)CC1 ZINC000659797585 431117892 /nfs/dbraw/zinc/11/78/92/431117892.db2.gz NVDALMQQIAYGKG-UHFFFAOYSA-N -1 1 323.336 2.990 20 0 DFADMM CC[C@H](OCCNC(=O)c1cncc([O-])c1)c1ccccc1 ZINC000652755279 431126499 /nfs/dbraw/zinc/12/64/99/431126499.db2.gz ASJWHVZGVORNKY-INIZCTEOSA-N -1 1 300.358 2.685 20 0 DFADMM O=C([O-])c1cc(F)ccc1CN1CCOC(C2CC2)(C2CC2)C1 ZINC000659799815 431118482 /nfs/dbraw/zinc/11/84/82/431118482.db2.gz IUSAMRBQZNYWDT-UHFFFAOYSA-N -1 1 319.376 2.915 20 0 DFADMM C[C@@H]1CN(Cc2ccn(-c3cccc(F)c3)n2)CC[C@H]1C(=O)[O-] ZINC000652497409 431071839 /nfs/dbraw/zinc/07/18/39/431071839.db2.gz UXWKQUOPAXKOSD-MLGOLLRUSA-N -1 1 317.364 2.554 20 0 DFADMM C[C@H](c1nc(C2CC2)no1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000652499540 431072818 /nfs/dbraw/zinc/07/28/18/431072818.db2.gz ATXZZYREDBEENX-ZYHUDNBSSA-N -1 1 307.394 2.831 20 0 DFADMM C[C@@H]1CN(Cc2nc3cc(Cl)ccc3n2C)CC[C@H]1C(=O)[O-] ZINC000652497466 431072943 /nfs/dbraw/zinc/07/29/43/431072943.db2.gz WMQKYARDKLJXKX-ZYHUDNBSSA-N -1 1 321.808 2.769 20 0 DFADMM C[C@H]1CCN(Cc2ncccc2C(F)(F)F)[C@@H](C(=O)[O-])C1 ZINC000652502570 431073236 /nfs/dbraw/zinc/07/32/36/431073236.db2.gz DRHBHUTYSVOTFA-JOYOIKCWSA-N -1 1 302.296 2.786 20 0 DFADMM C[C@@H]1CN(Cc2ncccc2C(F)(F)F)CC[C@@H]1C(=O)[O-] ZINC000652497600 431073808 /nfs/dbraw/zinc/07/38/08/431073808.db2.gz ZYQUZNWUMNDHNE-ZJUUUORDSA-N -1 1 302.296 2.643 20 0 DFADMM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](C)CC(F)F)cc1F 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301085200 /nfs/dbraw/zinc/08/52/00/301085200.db2.gz PXNVJHCSLWCATQ-UHFFFAOYSA-N -1 1 319.361 2.822 20 0 DFADMM CCOc1ccc(S(=O)(=O)[N-]c2cncc(C)c2)cc1C ZINC000531430230 301091392 /nfs/dbraw/zinc/09/13/92/301091392.db2.gz GYFPDJFFKFJWGS-UHFFFAOYSA-N -1 1 306.387 2.898 20 0 DFADMM O=S(=O)([N-]c1cc(C2CCCCC2)n[nH]1)c1cccnc1 ZINC000531629512 301100567 /nfs/dbraw/zinc/10/05/67/301100567.db2.gz WIACSHOPWPRXIN-UHFFFAOYSA-N -1 1 306.391 2.653 20 0 DFADMM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@H]21)c1cc2ccccc2o1 ZINC000531856862 301115122 /nfs/dbraw/zinc/11/51/22/301115122.db2.gz DTEKPMHFOGDPSA-GZBFAFLISA-N -1 1 321.398 2.669 20 0 DFADMM CCC[C@@H](NC(=O)CNC1(C(=O)[O-])CCCC1)c1ccccc1 ZINC000533202789 301190638 /nfs/dbraw/zinc/19/06/38/301190638.db2.gz YWEJCNBLYFGSOO-OAHLLOKOSA-N -1 1 318.417 2.631 20 0 DFADMM Cc1n[nH]c([N-]S(=O)(=O)c2cccnc2)c1-c1ccccc1 ZINC000534680913 301235525 /nfs/dbraw/zinc/23/55/25/301235525.db2.gz AEADUOKQPNOQNX-UHFFFAOYSA-N -1 1 314.370 2.581 20 0 DFADMM CCc1cc(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])on1 ZINC000537427817 301300038 /nfs/dbraw/zinc/30/00/38/301300038.db2.gz MOHMIWUHZMPEFW-UHFFFAOYSA-N -1 1 314.263 2.891 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCCc1cccs1 ZINC000537709228 301309476 /nfs/dbraw/zinc/30/94/76/301309476.db2.gz AMZZMIPDFHJZGY-UHFFFAOYSA-N -1 1 323.443 2.637 20 0 DFADMM COc1ccc([O-])c(S(=O)(=O)N(C)c2cccc(C)c2C)c1 ZINC000538297855 301319303 /nfs/dbraw/zinc/31/93/03/301319303.db2.gz CTSWHBKVXDSAEQ-UHFFFAOYSA-N -1 1 321.398 2.843 20 0 DFADMM CCOC(=O)c1cc(NC(=O)c2cc3cc(C)ccc3o2)n[nH]1 ZINC000538649854 301325455 /nfs/dbraw/zinc/32/54/55/301325455.db2.gz LPDXRIQALBPYEF-UHFFFAOYSA-N -1 1 313.313 2.893 20 0 DFADMM COC(=O)c1oc(CSc2nc(C)c(C)c(=O)[n-]2)cc1C ZINC000540714196 301367730 /nfs/dbraw/zinc/36/77/30/301367730.db2.gz COPJVGCGVUSUPJ-UHFFFAOYSA-N -1 1 308.359 2.779 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC/C=C/c1ccccc1 ZINC000540887218 301372317 /nfs/dbraw/zinc/37/23/17/301372317.db2.gz SHHXSGJWECLKMW-RMKNXTFCSA-N -1 1 315.398 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/nfs/dbraw/zinc/14/20/38/302142038.db2.gz OBTMEYYLNDFUDZ-SNVBAGLBSA-N -1 1 321.327 2.588 20 0 DFADMM O=C([O-])[C@H](c1cccnc1)N1CCC(C(=O)c2ccccc2)CC1 ZINC000564577991 302142534 /nfs/dbraw/zinc/14/25/34/302142534.db2.gz SLGNQEGYMWHBSL-KRWDZBQOSA-N -1 1 324.380 2.802 20 0 DFADMM CCC[N@@H+](Cc1oncc1C(=O)[O-])[C@H]1C[C@@H](OCC)C1(C)C ZINC000565103362 302194408 /nfs/dbraw/zinc/19/44/08/302194408.db2.gz FMQNIALDEBFNAX-UONOGXRCSA-N -1 1 310.394 2.788 20 0 DFADMM COc1cccc(C[C@H]2CCCN2Cc2nc(C(=O)[O-])co2)c1 ZINC000565106250 302195008 /nfs/dbraw/zinc/19/50/08/302195008.db2.gz WFXIRQICMLQXLY-CYBMUJFWSA-N -1 1 316.357 2.589 20 0 DFADMM CC(C)c1nc([C@H]2CCCN(Cc3ccc(C(=O)[O-])o3)C2)no1 ZINC000565105012 302195047 /nfs/dbraw/zinc/19/50/47/302195047.db2.gz QELLSHQIWLHRTH-NSHDSACASA-N -1 1 319.361 2.864 20 0 DFADMM Cc1cnc(S[C@@H](C(=O)N2CCC[C@H](C)C2)C(C)C)[n-]c1=O ZINC000565241684 302212028 /nfs/dbraw/zinc/21/20/28/302212028.db2.gz WHPJWFTTZSHBKZ-WCQYABFASA-N -1 1 323.462 2.866 20 0 DFADMM CO[C@@H]1CCN(Cc2ccc(F)cc2Cl)[C@H](C(=O)[O-])C1 ZINC000565253964 302213479 /nfs/dbraw/zinc/21/34/79/302213479.db2.gz LDEFAKPJALZIKS-YPMHNXCESA-N -1 1 301.745 2.543 20 0 DFADMM Cc1nnc(CSc2nc(C(F)F)cc(=O)[n-]2)n1C1CC1 ZINC000565566816 302230181 /nfs/dbraw/zinc/23/01/81/302230181.db2.gz QHIMVCJLHBTASV-UHFFFAOYSA-N -1 1 313.333 2.647 20 0 DFADMM C[C@@H](NCc1ncccc1[O-])c1nc(-c2cccc(F)c2)no1 ZINC000565859459 302245401 /nfs/dbraw/zinc/24/54/01/302245401.db2.gz DPFKTFDXKIZTRG-SNVBAGLBSA-N -1 1 314.320 2.827 20 0 DFADMM C[C@@H]1CCN(Cc2cn3cc(Cl)ccc3n2)C[C@@H]1C(=O)[O-] ZINC000566220630 302268481 /nfs/dbraw/zinc/26/84/81/302268481.db2.gz KQPUXYDBMKLWQE-MFKMUULPSA-N -1 1 307.781 2.530 20 0 DFADMM C[C@H]1CCN(Cc2cn3cc(Cl)ccc3n2)C[C@@H]1C(=O)[O-] ZINC000566220627 302268614 /nfs/dbraw/zinc/26/86/14/302268614.db2.gz KQPUXYDBMKLWQE-GWCFXTLKSA-N -1 1 307.781 2.530 20 0 DFADMM CCc1ccc(-c2noc(CN3CC[C@H](C(=O)[O-])[C@@H]3C)n2)cc1 ZINC000566368930 302282691 /nfs/dbraw/zinc/28/26/91/302282691.db2.gz 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/nfs/dbraw/zinc/69/43/11/302694311.db2.gz XJPKVQSPFPSWBD-LBPRGKRZSA-N -1 1 310.357 2.612 20 0 DFADMM Cn1[n-]cc2/c(=N/C(=O)N3CCCC34CCCCC4)ccnc1-2 ZINC000376668652 302890669 /nfs/dbraw/zinc/89/06/69/302890669.db2.gz AQYVUKAOYFEGHO-XSFVSMFZSA-N -1 1 313.405 2.672 20 0 DFADMM Cc1cc(NC(=O)c2cncc([O-])c2)nn1-c1cccc(F)c1 ZINC000180960160 316047441 /nfs/dbraw/zinc/04/74/41/316047441.db2.gz QMNZEAXZIUPVHA-UHFFFAOYSA-N -1 1 312.304 2.673 20 0 DFADMM CCOC(=O)c1cc(NC(=O)c2cc(CC)c(CC)o2)n[nH]1 ZINC000183283282 316136385 /nfs/dbraw/zinc/13/63/85/316136385.db2.gz QQKUEKFLWGAHKD-UHFFFAOYSA-N -1 1 305.334 2.557 20 0 DFADMM CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2sccc2C)n[nH]1 ZINC000183278199 316136683 /nfs/dbraw/zinc/13/66/83/316136683.db2.gz OXLIUZRXCZYVMN-NXEZZACHSA-N -1 1 319.386 2.699 20 0 DFADMM C[C@H](Cc1nc(-c2ccc([O-])c(F)c2)no1)N1CCCCC1=O ZINC000350600934 316411950 /nfs/dbraw/zinc/41/19/50/316411950.db2.gz DQNLREJZYNPBDP-SNVBAGLBSA-N -1 1 319.336 2.525 20 0 DFADMM COCc1ncc(-c2nc(-c3ccc([O-])cc3F)no2)s1 ZINC000350614255 316414559 /nfs/dbraw/zinc/41/45/59/316414559.db2.gz REINTLIFXUYRNJ-UHFFFAOYSA-N -1 1 307.306 2.851 20 0 DFADMM Cc1nc(C)c(-c2nc(-c3ccc([O-])cc3F)no2)nc1C ZINC000350611884 316414662 /nfs/dbraw/zinc/41/46/62/316414662.db2.gz PAIZEMZBKPZQIS-UHFFFAOYSA-N -1 1 300.293 2.964 20 0 DFADMM CCOc1cc(-c2noc(-c3cncnc3)n2)cc(Cl)c1[O-] ZINC000350793254 316426154 /nfs/dbraw/zinc/42/61/54/316426154.db2.gz MFKRSZNXOHVQLM-UHFFFAOYSA-N -1 1 318.720 2.951 20 0 DFADMM CCc1cc(-c2nc(-c3ccc([O-])cc3F)no2)cc(=O)[nH]1 ZINC000350810074 316427951 /nfs/dbraw/zinc/42/79/51/316427951.db2.gz CHDQYEDAZVYJKP-UHFFFAOYSA-N -1 1 301.277 2.911 20 0 DFADMM COCc1cc(-c2nc(-c3ccc([O-])cc3Cl)no2)no1 ZINC000350812819 316428326 /nfs/dbraw/zinc/42/83/26/316428326.db2.gz IBRJQXURKMXWJC-UHFFFAOYSA-N -1 1 307.693 2.897 20 0 DFADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3cncs3)no2)c1 ZINC000350910688 316440746 /nfs/dbraw/zinc/44/07/46/316440746.db2.gz VLFPCLNDKDGICP-UHFFFAOYSA-N -1 1 302.315 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KVNNGCOQSRFXBI-UHFFFAOYSA-N -1 1 314.332 2.551 20 0 DFADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc([S@@](C)=O)c1 ZINC000488227244 317376883 /nfs/dbraw/zinc/37/68/83/317376883.db2.gz XUMONLSJLKKFEO-HXUWFJFHSA-N -1 1 323.439 2.787 20 0 DFADMM Cc1ccc(O)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000530145510 317772469 /nfs/dbraw/zinc/77/24/69/317772469.db2.gz UMLNJTRRQOQISU-UHFFFAOYSA-N -1 1 319.382 2.826 20 0 DFADMM O=S(=O)([N-]CC[C@H]1CCCCO1)c1cc2ccccc2o1 ZINC000542799784 317821111 /nfs/dbraw/zinc/82/11/11/317821111.db2.gz BIBXOLMAJWARNH-CYBMUJFWSA-N -1 1 309.387 2.670 20 0 DFADMM O=S(=O)([N-][C@H](CO)c1ccsc1)c1cc2ccccc2o1 ZINC000547441048 317848322 /nfs/dbraw/zinc/84/83/22/317848322.db2.gz VOUWETOXHUYJDK-GFCCVEGCSA-N -1 1 323.395 2.506 20 0 DFADMM Cc1cnc(SCCCn2c3ccccc3[nH]c2=O)[n-]c1=O ZINC000566497837 317952853 /nfs/dbraw/zinc/95/28/53/317952853.db2.gz LZNJHWZWSNJJGG-UHFFFAOYSA-N -1 1 316.386 2.728 20 0 DFADMM C[C@@H]1CN(Cc2nc3ccccc3n2C(F)F)C[C@]1(C)C(=O)[O-] ZINC000574884824 318047747 /nfs/dbraw/zinc/04/77/47/318047747.db2.gz UYAAKOMZPPWZPM-HWPZZCPQSA-N -1 1 323.343 2.974 20 0 DFADMM C[C@@H]1CN(Cc2nc3ccccc3n2C(F)F)C[C@@]1(C)C(=O)[O-] ZINC000574884825 318047785 /nfs/dbraw/zinc/04/77/85/318047785.db2.gz UYAAKOMZPPWZPM-QLJPJBMISA-N -1 1 323.343 2.974 20 0 DFADMM COc1ncc(CN2[C@H](C)[C@H](C(=O)[O-])CC[C@@H]2C)cc1Cl ZINC000576718859 318145885 /nfs/dbraw/zinc/14/58/85/318145885.db2.gz JMCIGJXKZICQSA-HOSYDEDBSA-N -1 1 312.797 2.817 20 0 DFADMM C[C@@H]1CCN(Cc2ccc(Br)cc2)C[C@@H]1C(=O)[O-] ZINC000576823256 318152431 /nfs/dbraw/zinc/15/24/31/318152431.db2.gz UNDAKKAMVDLHBS-MFKMUULPSA-N -1 1 312.207 2.992 20 0 DFADMM C[C@H](c1noc(-c2ccccc2)n1)N1CC[C@](C)(C(=O)[O-])C1 ZINC000577185776 318176745 /nfs/dbraw/zinc/17/67/45/318176745.db2.gz ZTFFRUHIXCOZKU-BZNIZROVSA-N -1 1 301.346 2.594 20 0 DFADMM C[C@@]1(C(=O)[O-])CCN(Cc2nnc(-c3ccccc3)s2)C1 ZINC000579133042 318310091 /nfs/dbraw/zinc/31/00/91/318310091.db2.gz CPXFCTKDYNJUBP-OAHLLOKOSA-N -1 1 303.387 2.502 20 0 DFADMM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(F)(F)F)o1 ZINC000580069457 318373023 /nfs/dbraw/zinc/37/30/23/318373023.db2.gz GCFIQCIVTPZINX-VHSXEESVSA-N -1 1 311.325 2.987 20 0 DFADMM COc1ccc(C(=O)Nc2ccn(Cc3ccccc3)n2)c([O-])c1 ZINC000193794360 323258965 /nfs/dbraw/zinc/25/89/65/323258965.db2.gz VWIRKBOBYKHGNE-UHFFFAOYSA-N -1 1 323.352 2.898 20 0 DFADMM O=C(Nc1ccc(=O)[nH]c1)c1cc(Br)ccc1[O-] ZINC000381328538 323294114 /nfs/dbraw/zinc/29/41/14/323294114.db2.gz HTXDTFJSQCUOIS-UHFFFAOYSA-N -1 1 309.119 2.508 20 0 DFADMM Cc1ccc(Cl)cc1NC(=O)CN1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000397046254 323354244 /nfs/dbraw/zinc/35/42/44/323354244.db2.gz VKZFSCSHXRCKMN-NWDGAFQWSA-N -1 1 324.808 2.772 20 0 DFADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1csc(-c2ccccn2)n1 ZINC000397034172 323354378 /nfs/dbraw/zinc/35/43/78/323354378.db2.gz MRYHDPAZSFNAPI-NEPJUHHUSA-N -1 1 317.414 2.890 20 0 DFADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1nc(-c2ccc(F)cc2)no1 ZINC000397505815 323355481 /nfs/dbraw/zinc/35/54/81/323355481.db2.gz UTQVHTBCDNJXFR-JQWIXIFHSA-N -1 1 319.336 2.561 20 0 DFADMM Cc1ccc(-c2noc(CN3C[C@H](C(=O)[O-])CC[C@H]3C)n2)cc1 ZINC000397493289 323355577 /nfs/dbraw/zinc/35/55/77/323355577.db2.gz NLHHRTXQXFZIDL-TZMCWYRMSA-N -1 1 315.373 2.730 20 0 DFADMM O=C(NCC[C@@H]1CCOC1)c1c([O-])cnc2ccc(Cl)cc21 ZINC000582558520 323694668 /nfs/dbraw/zinc/69/46/68/323694668.db2.gz NLDQHPCJXXQMRK-SNVBAGLBSA-N -1 1 320.776 2.750 20 0 DFADMM Cc1cnc(S[C@H](C(=O)NCc2ccco2)C(C)C)[n-]c1=O ZINC000583764422 323911150 /nfs/dbraw/zinc/91/11/50/323911150.db2.gz IPHKPNOQLGAPLQ-LBPRGKRZSA-N -1 1 321.402 2.517 20 0 DFADMM Cc1ccc(NS(=O)(=O)c2c(C)cccc2F)c(C(=O)[O-])c1 ZINC000584267039 332176686 /nfs/dbraw/zinc/17/66/86/332176686.db2.gz ANJXMJRHVLAIID-UHFFFAOYSA-N -1 1 323.345 2.942 20 0 DFADMM COC[C@@]1(C(=O)[O-])CCCN(Cc2c(F)cccc2Cl)C1 ZINC000584415990 337322505 /nfs/dbraw/zinc/32/25/05/337322505.db2.gz HDDCPWQIZCQMSQ-OAHLLOKOSA-N -1 1 315.772 2.792 20 0 DFADMM COc1cccc([C@H]2CCCN2Cc2oncc2C(=O)[O-])c1 ZINC000584475213 337346214 /nfs/dbraw/zinc/34/62/14/337346214.db2.gz YGAARJOPBQRDPS-CQSZACIVSA-N -1 1 302.330 2.719 20 0 DFADMM C[C@@H]1CCN(C(=O)c2ccc3n[n-]c(=S)n3c2)CC12CCC2 ZINC000297481812 534009323 /nfs/dbraw/zinc/00/93/23/534009323.db2.gz LULOENXJDLGDKZ-LLVKDONJSA-N -1 1 316.430 2.670 20 0 DFADMM CCOc1ccc([N-]S(=O)(=O)c2c(C)noc2C)c(F)c1 ZINC000414405275 517729690 /nfs/dbraw/zinc/72/96/90/517729690.db2.gz IZQOFYFDGYIANJ-UHFFFAOYSA-N -1 1 314.338 2.630 20 0 DFADMM CCOc1ccc([C@@H](C)NC(=O)c2ncccc2[O-])cc1OC ZINC000338053876 517732540 /nfs/dbraw/zinc/73/25/40/517732540.db2.gz MHSYTJJHTSNOBE-LLVKDONJSA-N -1 1 316.357 2.686 20 0 DFADMM CC=C(CC)C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000365113364 518501983 /nfs/dbraw/zinc/50/19/83/518501983.db2.gz PMIUCGRHWSBRSN-DGDCUBRUSA-N -1 1 323.759 2.554 20 0 DFADMM C/C=C(\CC)C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000365113364 518501989 /nfs/dbraw/zinc/50/19/89/518501989.db2.gz PMIUCGRHWSBRSN-DGDCUBRUSA-N -1 1 323.759 2.554 20 0 DFADMM Cc1nc(S[C@H]2CCCN(CC(C)(C)C)C2=O)[n-]c(=O)c1C ZINC000330892477 534533005 /nfs/dbraw/zinc/53/30/05/534533005.db2.gz ISNBDRCEYLLVRB-LBPRGKRZSA-N -1 1 323.462 2.928 20 0 DFADMM CCCc1cc(=O)[n-]c(SCc2nnc3n2CCCCC3)n1 ZINC000365101238 521383196 /nfs/dbraw/zinc/38/31/96/521383196.db2.gz QEZXLQWZLGUCOT-UHFFFAOYSA-N -1 1 319.434 2.745 20 0 DFADMM COC[C@H]1CCCCN(C(=O)c2c([O-])cnc3ccccc32)C1 ZINC000364244631 522816472 /nfs/dbraw/zinc/81/64/72/522816472.db2.gz ZCUHXOKXELFJNP-ZDUSSCGKSA-N -1 1 314.385 2.829 20 0 DFADMM C[C@H](CN(C)Cc1cccc(F)c1Br)C(=O)[O-] ZINC000156962789 524296000 /nfs/dbraw/zinc/29/60/00/524296000.db2.gz YWQQZGOGVMULAA-MRVPVSSYSA-N -1 1 304.159 2.741 20 0 DFADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1C[C@H]2CC[C@@H](C1)O2 ZINC000368481936 526578994 /nfs/dbraw/zinc/57/89/94/526578994.db2.gz HZIAZAVSIXSHSB-PHIMTYICSA-N -1 1 318.760 2.597 20 0 DFADMM CC(C)(C)[C@@H]1CCCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000332526730 526652756 /nfs/dbraw/zinc/65/27/56/526652756.db2.gz CQCHJAWFWRPPQJ-GFCCVEGCSA-N -1 1 313.401 2.821 20 0 DFADMM O=C(c1ncccc1[O-])N1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000364493910 526921485 /nfs/dbraw/zinc/92/14/85/526921485.db2.gz YPGALEAIIVITMF-SNVBAGLBSA-N -1 1 324.789 2.716 20 0 DFADMM CCCc1cc(C(=O)[N-]c2nnc(C(F)(F)F)s2)no1 ZINC000294584078 528597881 /nfs/dbraw/zinc/59/78/81/528597881.db2.gz QAAILAVPXXOQON-UHFFFAOYSA-N -1 1 306.269 2.750 20 0 DFADMM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ncc(C)cc2[O-])C12CCCC2 ZINC000680846759 545551330 /nfs/dbraw/zinc/55/13/30/545551330.db2.gz VYLXYWZQDAKQFS-HUUCEWRRSA-N -1 1 318.417 2.905 20 0 DFADMM COCc1cncc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000680939316 545567827 /nfs/dbraw/zinc/56/78/27/545567827.db2.gz BGYNCGAOJGJYLP-UHFFFAOYSA-N -1 1 324.340 2.576 20 0 DFADMM Cc1ccccc1N1CCN(C(=O)c2ccc([O-])c(F)c2)CC1 ZINC000681015393 545581603 /nfs/dbraw/zinc/58/16/03/545581603.db2.gz DQZLFARUWDNPQG-UHFFFAOYSA-N -1 1 314.360 2.802 20 0 DFADMM CN1CCN(C(=O)c2ccc([O-])c(F)c2)[C@@H](c2ccccc2)C1 ZINC000681013920 545581696 /nfs/dbraw/zinc/58/16/96/545581696.db2.gz AJYYXAPPIRJUCX-MRXNPFEDSA-N -1 1 314.360 2.660 20 0 DFADMM O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1ccc([O-])c(F)c1 ZINC000681014504 545582011 /nfs/dbraw/zinc/58/20/11/545582011.db2.gz ORDDMYSRQVVYGJ-UHFFFAOYSA-N -1 1 314.316 2.676 20 0 DFADMM O=C(Nc1ccc(-n2cncn2)c(F)c1)c1ccc([O-])c(F)c1 ZINC000681019147 545582423 /nfs/dbraw/zinc/58/24/23/545582423.db2.gz ROHJODHWTNXDLL-UHFFFAOYSA-N -1 1 316.267 2.503 20 0 DFADMM CCC(=O)Nc1cccc(CNC(=O)c2ccc([O-])c(F)c2)c1 ZINC000681018656 545582712 /nfs/dbraw/zinc/58/27/12/545582712.db2.gz ICXOCDRQECODRW-UHFFFAOYSA-N -1 1 316.332 2.810 20 0 DFADMM O=C(NCCCN1CCc2ccccc21)c1ccc([O-])c(F)c1 ZINC000681016951 545582995 /nfs/dbraw/zinc/58/29/95/545582995.db2.gz QESLRYMINLQDCM-UHFFFAOYSA-N -1 1 314.360 2.714 20 0 DFADMM C[C@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc2c(c1)CC(=O)N2 ZINC000681020355 545583932 /nfs/dbraw/zinc/58/39/32/545583932.db2.gz ZSBCAKNYCFTDKZ-VIFPVBQESA-N -1 1 314.316 2.517 20 0 DFADMM Cc1cc(C)n([C@H]2CCCN(C(=O)c3ccc([O-])c(F)c3)C2)n1 ZINC000681042287 545587432 /nfs/dbraw/zinc/58/74/32/545587432.db2.gz PLLRWPGEJLCXEA-AWEZNQCLSA-N -1 1 317.364 2.822 20 0 DFADMM COc1ccc(C2(NC(=O)c3ccc([O-])c(F)c3)CC2)cc1 ZINC000681044876 545588023 /nfs/dbraw/zinc/58/80/23/545588023.db2.gz KSPDXHYXYHYJNE-UHFFFAOYSA-N -1 1 301.317 2.959 20 0 DFADMM O=C(NCCc1nc2cc(F)ccc2[nH]1)c1ccc([O-])c(F)c1 ZINC000681052496 545588822 /nfs/dbraw/zinc/58/88/22/545588822.db2.gz QODJSEBHRXQPDF-UHFFFAOYSA-N -1 1 317.295 2.519 20 0 DFADMM Cn1cc(-c2csc(NC(=O)c3ccc([O-])c(F)c3)n2)cn1 ZINC000681048790 545588844 /nfs/dbraw/zinc/58/88/44/545588844.db2.gz HIFDAYQKBVHZRY-UHFFFAOYSA-N -1 1 318.333 2.641 20 0 DFADMM COc1ccccc1O[C@@H](C)CNC(=O)c1ccc([O-])c(F)c1 ZINC000681050956 545589050 /nfs/dbraw/zinc/58/90/50/545589050.db2.gz USHHDRVGEPYUJF-NSHDSACASA-N -1 1 319.332 2.737 20 0 DFADMM O=C(Nc1c([O-])cccc1F)[C@@H](O)Cc1ccccc1Cl ZINC000681345137 545630479 /nfs/dbraw/zinc/63/04/79/545630479.db2.gz LAPTYMUUJLKTRC-ZDUSSCGKSA-N -1 1 309.724 2.727 20 0 DFADMM CC[C@@H](CO)N(Cc1ccccc1)C(=O)c1ccc([O-])c(F)c1 ZINC000681745017 545712571 /nfs/dbraw/zinc/71/25/71/545712571.db2.gz MKWTYFYTEQBSBL-HNNXBMFYSA-N -1 1 317.360 2.945 20 0 DFADMM O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)c1ccc([O-])c(F)c1 ZINC000681865708 545741944 /nfs/dbraw/zinc/74/19/44/545741944.db2.gz CHVYSNLMHYSATB-GOEBONIOSA-N -1 1 316.332 2.576 20 0 DFADMM COC1CCC(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CC1 ZINC000682028916 545778891 /nfs/dbraw/zinc/77/88/91/545778891.db2.gz AHGRVNGNMNCTET-UHFFFAOYSA-N -1 1 315.373 2.926 20 0 DFADMM CSc1nnc(C[N-]c2nc(-c3ccccc3)no2)s1 ZINC000682082543 545793933 /nfs/dbraw/zinc/79/39/33/545793933.db2.gz OXCWICZXYFPOSS-UHFFFAOYSA-N -1 1 305.388 2.922 20 0 DFADMM COc1cc(C(=O)N[C@H]2CCC(F)(F)C2)cc(Cl)c1[O-] ZINC000682362179 545830013 /nfs/dbraw/zinc/83/00/13/545830013.db2.gz RCSRXKRILIQGAH-QMMMGPOBSA-N -1 1 305.708 2.972 20 0 DFADMM O=C(c1ccc([O-])c(F)c1)N1CCC(c2ccncc2)CC1 ZINC000683259138 545997704 /nfs/dbraw/zinc/99/77/04/545997704.db2.gz FCFQCOPPTGHICS-UHFFFAOYSA-N -1 1 300.333 2.946 20 0 DFADMM CCC[C@H](CC)S(=O)(=O)[N-]c1ccn(Cc2ccncc2)n1 ZINC000684844431 546290177 /nfs/dbraw/zinc/29/01/77/546290177.db2.gz FGGWNOPCXPTYSZ-AWEZNQCLSA-N -1 1 322.434 2.647 20 0 DFADMM NC(=O)c1cccc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)c1 ZINC000684870857 546295354 /nfs/dbraw/zinc/29/53/54/546295354.db2.gz MXJPGACSJXKXPD-UHFFFAOYSA-N -1 1 324.258 2.762 20 0 DFADMM NC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)cc1 ZINC000684869503 546295639 /nfs/dbraw/zinc/29/56/39/546295639.db2.gz TZPNYOQIFDTETN-UHFFFAOYSA-N -1 1 324.258 2.762 20 0 DFADMM O=S(=O)(CC1Cc2ccccc2C1)[N-][C@@H]1CCCC1(F)F ZINC000685512105 546361481 /nfs/dbraw/zinc/36/14/81/546361481.db2.gz TUDDXWDSSQOULE-CQSZACIVSA-N -1 1 315.385 2.509 20 0 DFADMM CC(C)c1cc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)on1 ZINC000735922167 598915012 /nfs/dbraw/zinc/91/50/12/598915012.db2.gz HHJPNWAFMMAMBW-UHFFFAOYSA-N -1 1 319.756 2.639 20 0 DFADMM CC(C)c1cc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)on1 ZINC000735922167 598915014 /nfs/dbraw/zinc/91/50/14/598915014.db2.gz HHJPNWAFMMAMBW-UHFFFAOYSA-N -1 1 319.756 2.639 20 0 DFADMM Fc1ccc(Nc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000737656115 598955085 /nfs/dbraw/zinc/95/50/85/598955085.db2.gz IUWDNGIVZFNXEC-UHFFFAOYSA-N -1 1 307.292 2.693 20 0 DFADMM Fc1ccc(Nc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000737656115 598955086 /nfs/dbraw/zinc/95/50/86/598955086.db2.gz IUWDNGIVZFNXEC-UHFFFAOYSA-N -1 1 307.292 2.693 20 0 DFADMM C[C@@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)C(C)(C)C ZINC000736026781 598969185 /nfs/dbraw/zinc/96/91/85/598969185.db2.gz QYJZRENTJBOVAB-JTQLQIEISA-N -1 1 311.393 2.904 20 0 DFADMM C[C@@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)C(C)(C)C ZINC000736026781 598969187 /nfs/dbraw/zinc/96/91/87/598969187.db2.gz QYJZRENTJBOVAB-JTQLQIEISA-N -1 1 311.393 2.904 20 0 DFADMM CCc1ccc(-c2noc(-c3ccc(-c4nnn[n-]4)nc3)n2)cc1 ZINC000736677824 599009768 /nfs/dbraw/zinc/00/97/68/599009768.db2.gz ORWNHEGHGCNJAJ-UHFFFAOYSA-N -1 1 319.328 2.541 20 0 DFADMM CCc1ccc(-c2noc(-c3ccc(-c4nn[n-]n4)nc3)n2)cc1 ZINC000736677824 599009769 /nfs/dbraw/zinc/00/97/69/599009769.db2.gz ORWNHEGHGCNJAJ-UHFFFAOYSA-N -1 1 319.328 2.541 20 0 DFADMM C[C@H](OC(=O)c1sccc1-c1nn[n-]n1)c1cccs1 ZINC000736166048 599026701 /nfs/dbraw/zinc/02/67/01/599026701.db2.gz XZXAMSPZCMTGRK-ZETCQYMHSA-N -1 1 306.372 2.908 20 0 DFADMM C[C@H](CNc1cccc(-c2nnn[n-]2)n1)Cc1cccs1 ZINC000820280751 599041295 /nfs/dbraw/zinc/04/12/95/599041295.db2.gz NSRLGACZFJAIBL-JTQLQIEISA-N -1 1 300.391 2.614 20 0 DFADMM C[C@H](CNc1cccc(-c2nn[n-]n2)n1)Cc1cccs1 ZINC000820280751 599041298 /nfs/dbraw/zinc/04/12/98/599041298.db2.gz NSRLGACZFJAIBL-JTQLQIEISA-N -1 1 300.391 2.614 20 0 DFADMM COc1cccc(F)c1[C@@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000821872728 599055639 /nfs/dbraw/zinc/05/56/39/599055639.db2.gz OMGHFGQRHVNALX-SECBINFHSA-N -1 1 314.324 2.583 20 0 DFADMM COc1cccc(F)c1[C@@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000821872728 599055642 /nfs/dbraw/zinc/05/56/42/599055642.db2.gz OMGHFGQRHVNALX-SECBINFHSA-N -1 1 314.324 2.583 20 0 DFADMM CC(C)c1ccc(CCCNc2nccnc2-c2nnn[n-]2)cc1 ZINC000735925196 599206214 /nfs/dbraw/zinc/20/62/14/599206214.db2.gz ZAHIEAWCZAHPGJ-UHFFFAOYSA-N -1 1 323.404 2.825 20 0 DFADMM CC(C)c1ccc(CCCNc2nccnc2-c2nn[n-]n2)cc1 ZINC000735925196 599206217 /nfs/dbraw/zinc/20/62/17/599206217.db2.gz ZAHIEAWCZAHPGJ-UHFFFAOYSA-N -1 1 323.404 2.825 20 0 DFADMM CCc1ccccc1NC(=O)[C@@H](C)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000818339290 597079941 /nfs/dbraw/zinc/07/99/41/597079941.db2.gz KMSXRYXKYNIGEC-KGLIPLIRSA-N -1 1 318.417 2.763 20 0 DFADMM CSCc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000821969975 607316299 /nfs/dbraw/zinc/31/62/99/607316299.db2.gz HTFDWKBYUUZSQK-UHFFFAOYSA-N -1 1 301.375 2.935 20 0 DFADMM CSCc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000821969975 607316300 /nfs/dbraw/zinc/31/63/00/607316300.db2.gz HTFDWKBYUUZSQK-UHFFFAOYSA-N -1 1 301.375 2.935 20 0 DFADMM FC(F)Oc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000822731944 607308375 /nfs/dbraw/zinc/30/83/75/607308375.db2.gz FTVPSTGOHIZUJZ-UHFFFAOYSA-N -1 1 307.260 2.673 20 0 DFADMM FC(F)Oc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000822731944 607308376 /nfs/dbraw/zinc/30/83/76/607308376.db2.gz FTVPSTGOHIZUJZ-UHFFFAOYSA-N -1 1 307.260 2.673 20 0 DFADMM COc1ccc(NCc2ccc(-c3nn[n-]n3)s2)c(C)c1 ZINC000821835960 607311431 /nfs/dbraw/zinc/31/14/31/607311431.db2.gz VLYXPNAIVTYMMW-UHFFFAOYSA-N -1 1 301.375 2.857 20 0 DFADMM O=C([O-])[C@@H]1CCN(Cc2csc(Cc3ccccc3)n2)C1 ZINC000178904359 597530906 /nfs/dbraw/zinc/53/09/06/597530906.db2.gz YMLXDTOSJZLFFR-CYBMUJFWSA-N -1 1 302.399 2.640 20 0 DFADMM COc1ccc(OC(F)F)c(CN2CCC(C(=O)[O-])CC2)c1 ZINC000820849707 598119483 /nfs/dbraw/zinc/11/94/83/598119483.db2.gz RDESRHDAOYSALF-UHFFFAOYSA-N -1 1 315.316 2.593 20 0 DFADMM CC(C)c1nc([C@H](C)NC(=O)Nc2ccccc2C(=O)[O-])n[nH]1 ZINC000820061792 598179060 /nfs/dbraw/zinc/17/90/60/598179060.db2.gz REQSDDUBFQLGMS-VIFPVBQESA-N -1 1 317.349 2.509 20 0 DFADMM CCc1cccc(C)c1NC(=O)CN[C@H](C(=O)[O-])[C@@H](C)CC ZINC000263128721 598187486 /nfs/dbraw/zinc/18/74/86/598187486.db2.gz MUXMGHULYABUFV-ZBEGNZNMSA-N -1 1 306.406 2.585 20 0 DFADMM CC(C)[C@@H](NCC(=O)Nc1ccccc1C(C)(C)C)C(=O)[O-] ZINC000820041784 598188526 /nfs/dbraw/zinc/18/85/26/598188526.db2.gz REWADZYDJMOPEY-OAHLLOKOSA-N -1 1 306.406 2.621 20 0 DFADMM C[C@H](CC(=O)[O-])N[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000820072210 598215031 /nfs/dbraw/zinc/21/50/31/598215031.db2.gz OSTRJLMGNBMUFG-YGRLFVJLSA-N -1 1 307.781 2.616 20 0 DFADMM Clc1ccc(NCCc2ccccc2)nc1-c1nnn[n-]1 ZINC000737573435 598274470 /nfs/dbraw/zinc/27/44/70/598274470.db2.gz HNMNOAHQIMBLCF-UHFFFAOYSA-N -1 1 300.753 2.570 20 0 DFADMM Clc1ccc(NCCc2ccccc2)nc1-c1nn[n-]n1 ZINC000737573435 598274471 /nfs/dbraw/zinc/27/44/71/598274471.db2.gz HNMNOAHQIMBLCF-UHFFFAOYSA-N -1 1 300.753 2.570 20 0 DFADMM CN(Cc1ccsc1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736830065 598275372 /nfs/dbraw/zinc/27/53/72/598275372.db2.gz PXHUHLGSTPLMJB-UHFFFAOYSA-N -1 1 306.782 2.613 20 0 DFADMM CN(Cc1ccsc1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736830065 598275374 /nfs/dbraw/zinc/27/53/74/598275374.db2.gz PXHUHLGSTPLMJB-UHFFFAOYSA-N -1 1 306.782 2.613 20 0 DFADMM Clc1ccc(CSc2nccnc2-c2nn[n-]n2)cc1 ZINC000737577308 598336827 /nfs/dbraw/zinc/33/68/27/598336827.db2.gz VNSWZQDQLMMTPC-UHFFFAOYSA-N -1 1 304.766 2.602 20 0 DFADMM CN(Cc1ccccc1F)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736828497 598570630 /nfs/dbraw/zinc/57/06/30/598570630.db2.gz MNZUJPZIAGMKIJ-UHFFFAOYSA-N -1 1 318.743 2.691 20 0 DFADMM CN(Cc1ccccc1F)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736828497 598570632 /nfs/dbraw/zinc/57/06/32/598570632.db2.gz MNZUJPZIAGMKIJ-UHFFFAOYSA-N -1 1 318.743 2.691 20 0 DFADMM Cc1ccccc1CCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000737427055 598571568 /nfs/dbraw/zinc/57/15/68/598571568.db2.gz PRUGXEKEDXGASY-UHFFFAOYSA-N -1 1 314.780 2.878 20 0 DFADMM Cc1ccccc1CCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000737427055 598571569 /nfs/dbraw/zinc/57/15/69/598571569.db2.gz PRUGXEKEDXGASY-UHFFFAOYSA-N -1 1 314.780 2.878 20 0 DFADMM Cc1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)s1 ZINC000737342216 598574982 /nfs/dbraw/zinc/57/49/82/598574982.db2.gz MXVKVJSKLBVHOO-UHFFFAOYSA-N -1 1 306.782 2.897 20 0 DFADMM Cc1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)s1 ZINC000737342216 598574983 /nfs/dbraw/zinc/57/49/83/598574983.db2.gz MXVKVJSKLBVHOO-UHFFFAOYSA-N -1 1 306.782 2.897 20 0 DFADMM Fc1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c(F)c1 ZINC000737650362 598577960 /nfs/dbraw/zinc/57/79/60/598577960.db2.gz QVTZWJDTDNPOJF-UHFFFAOYSA-N -1 1 322.706 2.805 20 0 DFADMM Fc1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c(F)c1 ZINC000737650362 598577962 /nfs/dbraw/zinc/57/79/62/598577962.db2.gz QVTZWJDTDNPOJF-UHFFFAOYSA-N -1 1 322.706 2.805 20 0 DFADMM Clc1cccc(CCNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000737574571 599397713 /nfs/dbraw/zinc/39/77/13/599397713.db2.gz MDGUOKZKTJNJKO-UHFFFAOYSA-N -1 1 300.753 2.570 20 0 DFADMM Clc1cccc(CCNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000737574571 599397717 /nfs/dbraw/zinc/39/77/17/599397717.db2.gz MDGUOKZKTJNJKO-UHFFFAOYSA-N -1 1 300.753 2.570 20 0 DFADMM FC(F)(F)c1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000737635703 599401133 /nfs/dbraw/zinc/40/11/33/599401133.db2.gz NHBJVKVWPDSCPX-UHFFFAOYSA-N -1 1 320.278 2.893 20 0 DFADMM FC(F)(F)c1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000737635703 599401135 /nfs/dbraw/zinc/40/11/35/599401135.db2.gz NHBJVKVWPDSCPX-UHFFFAOYSA-N -1 1 320.278 2.893 20 0 DFADMM C[C@H](Cc1ccccc1Cl)Nc1cccc(-c2nnn[n-]2)n1 ZINC000736059456 599408545 /nfs/dbraw/zinc/40/85/45/599408545.db2.gz SNWITZHKBKEACQ-SNVBAGLBSA-N -1 1 314.780 2.958 20 0 DFADMM C[C@H](Cc1ccccc1Cl)Nc1cccc(-c2nn[n-]n2)n1 ZINC000736059456 599408548 /nfs/dbraw/zinc/40/85/48/599408548.db2.gz SNWITZHKBKEACQ-SNVBAGLBSA-N -1 1 314.780 2.958 20 0 DFADMM CCCOCc1ccccc1CNc1cccc(-c2nnn[n-]2)n1 ZINC000736489016 599412135 /nfs/dbraw/zinc/41/21/35/599412135.db2.gz SCAPODWJYISIAW-UHFFFAOYSA-N -1 1 324.388 2.800 20 0 DFADMM CCCOCc1ccccc1CNc1cccc(-c2nn[n-]n2)n1 ZINC000736489016 599412136 /nfs/dbraw/zinc/41/21/36/599412136.db2.gz SCAPODWJYISIAW-UHFFFAOYSA-N -1 1 324.388 2.800 20 0 DFADMM CC(C)(CNc1cccc(-c2nnn[n-]2)n1)c1ccccc1F ZINC000735671302 599421729 /nfs/dbraw/zinc/42/17/29/599421729.db2.gz SFWBOIMRIAQXCI-UHFFFAOYSA-N -1 1 312.352 2.791 20 0 DFADMM CC(C)(CNc1cccc(-c2nn[n-]n2)n1)c1ccccc1F ZINC000735671302 599421732 /nfs/dbraw/zinc/42/17/32/599421732.db2.gz SFWBOIMRIAQXCI-UHFFFAOYSA-N -1 1 312.352 2.791 20 0 DFADMM Cc1ccc(C[C@H](C)Nc2cccc(-c3nn[n-]n3)n2)c(C)c1 ZINC000737333513 599434674 /nfs/dbraw/zinc/43/46/74/599434674.db2.gz CBBMFUDHMGGAMO-ZDUSSCGKSA-N -1 1 308.389 2.922 20 0 DFADMM Cc1ccc(C[C@H](C)Nc2cccc(-c3nnn[n-]3)n2)c(C)c1 ZINC000737333513 599434673 /nfs/dbraw/zinc/43/46/73/599434673.db2.gz CBBMFUDHMGGAMO-ZDUSSCGKSA-N -1 1 308.389 2.922 20 0 DFADMM C[C@H]1C[C@@H](c2ccccc2)CN1c1cccc(-c2nnn[n-]2)n1 ZINC000736237644 599437929 /nfs/dbraw/zinc/43/79/29/599437929.db2.gz YGWNOKZMLJFQQA-GXTWGEPZSA-N -1 1 306.373 2.644 20 0 DFADMM C[C@H]1C[C@@H](c2ccccc2)CN1c1cccc(-c2nn[n-]n2)n1 ZINC000736237644 599437931 /nfs/dbraw/zinc/43/79/31/599437931.db2.gz YGWNOKZMLJFQQA-GXTWGEPZSA-N -1 1 306.373 2.644 20 0 DFADMM Cc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1OC(F)F ZINC000822255129 599440568 /nfs/dbraw/zinc/44/05/68/599440568.db2.gz WLSVAVSJFSTLBS-UHFFFAOYSA-N -1 1 321.287 2.982 20 0 DFADMM Cc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1OC(F)F ZINC000822255129 599440570 /nfs/dbraw/zinc/44/05/70/599440570.db2.gz WLSVAVSJFSTLBS-UHFFFAOYSA-N -1 1 321.287 2.982 20 0 DFADMM Cc1occc1CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000822552444 599491257 /nfs/dbraw/zinc/49/12/57/599491257.db2.gz AJEHDRMHCZTUPM-UHFFFAOYSA-N -1 1 306.329 2.928 20 0 DFADMM Cc1occc1CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000822552444 599491258 /nfs/dbraw/zinc/49/12/58/599491258.db2.gz AJEHDRMHCZTUPM-UHFFFAOYSA-N -1 1 306.329 2.928 20 0 DFADMM Cc1cccc2c(CCNc3cccc(-c4nnn[n-]4)n3)c[nH]c21 ZINC000822331637 599579556 /nfs/dbraw/zinc/57/95/56/599579556.db2.gz IVWXCUUBCYFIKD-UHFFFAOYSA-N -1 1 319.372 2.706 20 0 DFADMM Cc1cccc2c(CCNc3cccc(-c4nn[n-]n4)n3)c[nH]c21 ZINC000822331637 599579557 /nfs/dbraw/zinc/57/95/57/599579557.db2.gz IVWXCUUBCYFIKD-UHFFFAOYSA-N -1 1 319.372 2.706 20 0 DFADMM c1ccc(CC2(CNc3cccc(-c4nnn[n-]4)n3)CC2)cc1 ZINC000823780370 607386557 /nfs/dbraw/zinc/38/65/57/607386557.db2.gz RXRMKKOWTSLEPS-UHFFFAOYSA-N -1 1 306.373 2.697 20 0 DFADMM c1ccc(CC2(CNc3cccc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000823780370 607386559 /nfs/dbraw/zinc/38/65/59/607386559.db2.gz RXRMKKOWTSLEPS-UHFFFAOYSA-N -1 1 306.373 2.697 20 0 DFADMM CC[C@H](C)[C@H](NC(=O)CN1CCC2(CCCCC2)CC1)C(=O)[O-] ZINC000736879454 599853272 /nfs/dbraw/zinc/85/32/72/599853272.db2.gz QNLBNSYVPLFXRT-HOCLYGCPSA-N -1 1 324.465 2.648 20 0 DFADMM COc1ccc([C@H](NCc2cc(F)ccc2F)C(=O)[O-])cc1 ZINC000737967591 599857481 /nfs/dbraw/zinc/85/74/81/599857481.db2.gz CFNFKRLGIWZSDE-HNNXBMFYSA-N -1 1 307.296 2.889 20 0 DFADMM CC(C)(C(=O)NOCc1cc(C(=O)[O-])co1)c1ccccc1 ZINC000736224125 599923470 /nfs/dbraw/zinc/92/34/70/599923470.db2.gz WHHVIQQDDPXVLD-UHFFFAOYSA-N -1 1 303.314 2.503 20 0 DFADMM CC(C)c1cccc(NC(=O)CN(C[C@H](C)C(=O)[O-])C2CC2)c1 ZINC000736578940 599951182 /nfs/dbraw/zinc/95/11/82/599951182.db2.gz QIEABWRHZLBQGK-ZDUSSCGKSA-N -1 1 318.417 2.934 20 0 DFADMM CCc1cccc(C)c1NC(=O)CNC1(C(=O)[O-])CCCCC1 ZINC000737268034 600150387 /nfs/dbraw/zinc/15/03/87/600150387.db2.gz XTGHPDRCVBYHQQ-UHFFFAOYSA-N -1 1 318.417 2.873 20 0 DFADMM CCC[C@@](C)(NCC(=O)N[C@H](C)c1ccc(CC)cc1)C(=O)[O-] ZINC000736961371 600154915 /nfs/dbraw/zinc/15/49/15/600154915.db2.gz ARAMPIWETVUKEI-FZKQIMNGSA-N -1 1 320.433 2.659 20 0 DFADMM O=C([O-])[C@@H](NC[C@@H]1OCCc2sccc21)c1ccccc1 ZINC000833168601 600758540 /nfs/dbraw/zinc/75/85/40/600758540.db2.gz YEPMXLZMXFJMCP-ZFWWWQNUSA-N -1 1 303.383 2.777 20 0 DFADMM CCC[C@@](C)(NCC(=O)Nc1sc(C)c(C)c1C)C(=O)[O-] ZINC000829193804 600831492 /nfs/dbraw/zinc/83/14/92/600831492.db2.gz JGDNVHYPSBBNGS-OAHLLOKOSA-N -1 1 312.435 2.845 20 0 DFADMM O=C([O-])c1sccc1NC(=O)CN1CCC[C@@H]2CCC[C@@H]21 ZINC000833107167 600833616 /nfs/dbraw/zinc/83/36/16/600833616.db2.gz ZOCBTNJJYGIYRI-JQWIXIFHSA-N -1 1 308.403 2.649 20 0 DFADMM CN(C(=O)CN1C2CCCC1CCC2)c1ccccc1C(=O)[O-] ZINC000830477752 600834444 /nfs/dbraw/zinc/83/44/44/600834444.db2.gz DEMYMUJPJMXHPD-UHFFFAOYSA-N -1 1 316.401 2.755 20 0 DFADMM C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000828214341 600835821 /nfs/dbraw/zinc/83/58/21/600835821.db2.gz KXKGAXRJUNKSKI-NXEZZACHSA-N -1 1 310.781 2.850 20 0 DFADMM Cc1oc(CN(C)[C@H](CCO)c2ccccc2)cc1C(=O)[O-] ZINC000833025709 600841074 /nfs/dbraw/zinc/84/10/74/600841074.db2.gz PYOXQXPBFUGLCI-MRXNPFEDSA-N -1 1 303.358 2.842 20 0 DFADMM COCCN(CCC(=O)[O-])Cc1cc(Cl)ccc1Cl ZINC000737793941 600954585 /nfs/dbraw/zinc/95/45/85/600954585.db2.gz GGWCSMCLXBJQGR-UHFFFAOYSA-N -1 1 306.189 2.917 20 0 DFADMM CC(C)C1CCN(CC(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC000826736019 601018307 /nfs/dbraw/zinc/01/83/07/601018307.db2.gz MBMFUADWZZAIAG-UHFFFAOYSA-N -1 1 304.390 2.691 20 0 DFADMM Cc1cccc(C(C)C)c1NC(=O)CN[C@@](C)(C(=O)[O-])C1CC1 ZINC000832965454 601034804 /nfs/dbraw/zinc/03/48/04/601034804.db2.gz BNIRTVOLMNLCMY-GOSISDBHSA-N -1 1 318.417 2.900 20 0 DFADMM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cn[nH]c1-c1ccncc1 ZINC000832916683 601080155 /nfs/dbraw/zinc/08/01/55/601080155.db2.gz YLQKHIDVRVYNAR-UHFFFAOYSA-N -1 1 322.324 2.731 20 0 DFADMM CCCCC[C@@H](C)CC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000829305165 601102493 /nfs/dbraw/zinc/10/24/93/601102493.db2.gz UBNHHNUJEDSLAG-HUUCEWRRSA-N -1 1 312.454 2.600 20 0 DFADMM CC[C@@H](C)c1ccc(NC(=O)CN[C@@](C)(C(=O)[O-])C2CC2)cc1 ZINC000828764844 601174315 /nfs/dbraw/zinc/17/43/15/601174315.db2.gz OJMMWKKCSYBDRB-KZULUSFZSA-N -1 1 318.417 2.982 20 0 DFADMM CN(C)Cc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2)cc1F ZINC000820543710 601225407 /nfs/dbraw/zinc/22/54/07/601225407.db2.gz OVUCNYGFOXHOLM-UHFFFAOYSA-N -1 1 316.332 2.838 20 0 DFADMM CCC(C)(C)NC(=O)CN1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000828612063 601430434 /nfs/dbraw/zinc/43/04/34/601430434.db2.gz NCPLOUBSDWZGLT-HUUCEWRRSA-N -1 1 324.465 2.647 20 0 DFADMM COC[C@](C)(CC(=O)[O-])NCc1coc(-c2ccc(C)cc2)n1 ZINC000831585383 601488214 /nfs/dbraw/zinc/48/82/14/601488214.db2.gz MVKLTVNETNZNKS-KRWDZBQOSA-N -1 1 318.373 2.619 20 0 DFADMM CCC1CCC(NCC(=O)N2C[C@H](C)C[C@@H](C)C2)(C(=O)[O-])CC1 ZINC000829101478 601494020 /nfs/dbraw/zinc/49/40/20/601494020.db2.gz PKTQFQLGWRCKBH-VBCSKYIJSA-N -1 1 324.465 2.504 20 0 DFADMM CCC1CCC(NCC(=O)N(C)c2ccccc2)(C(=O)[O-])CC1 ZINC000829101310 601495187 /nfs/dbraw/zinc/49/51/87/601495187.db2.gz NUNSRORDUWQNBE-UHFFFAOYSA-N -1 1 318.417 2.663 20 0 DFADMM CCC1CCC(NCC(=O)N2[C@H](C)CCC[C@H]2C)(C(=O)[O-])CC1 ZINC000829101495 601495881 /nfs/dbraw/zinc/49/58/81/601495881.db2.gz PYKJETRCMJXJDM-VBCSKYIJSA-N -1 1 324.465 2.789 20 0 DFADMM C[C@@H]1CN(CC(=O)Nc2ccccc2C(C)(C)C)C[C@@H]1C(=O)[O-] ZINC000828440609 601501881 /nfs/dbraw/zinc/50/18/81/601501881.db2.gz NIRUHIOZQPTCSR-OLZOCXBDSA-N -1 1 318.417 2.575 20 0 DFADMM C[C@H]1CN(Cc2csc(Br)c2)C[C@@H]1C(=O)[O-] ZINC000082557797 601508131 /nfs/dbraw/zinc/50/81/31/601508131.db2.gz 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ZINC000324770026 601541022 /nfs/dbraw/zinc/54/10/22/601541022.db2.gz YWIWKECZFGVDQJ-QGZVFWFLSA-N -1 1 321.380 2.827 20 0 DFADMM CC(C)N(Cc1ccnc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000824297405 607518800 /nfs/dbraw/zinc/51/88/00/607518800.db2.gz VWFSEJHIPCZJNF-UHFFFAOYSA-N -1 1 312.352 2.816 20 0 DFADMM CC(C)N(Cc1ccnc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000824297405 607518802 /nfs/dbraw/zinc/51/88/02/607518802.db2.gz VWFSEJHIPCZJNF-UHFFFAOYSA-N -1 1 312.352 2.816 20 0 DFADMM COC(=O)c1coc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000831467303 601653821 /nfs/dbraw/zinc/65/38/21/601653821.db2.gz WABOGQUVNLPTIX-IAQYHMDHSA-N -1 1 317.341 2.618 20 0 DFADMM c1ccc(N(Cc2ccnc(-c3nnn[n-]3)c2)CC2CC2)cc1 ZINC000826521862 607524514 /nfs/dbraw/zinc/52/45/14/607524514.db2.gz BOJYHNGCVLTPOQ-UHFFFAOYSA-N -1 1 306.373 2.678 20 0 DFADMM c1ccc(N(Cc2ccnc(-c3nn[n-]n3)c2)CC2CC2)cc1 ZINC000826521862 607524516 /nfs/dbraw/zinc/52/45/16/607524516.db2.gz BOJYHNGCVLTPOQ-UHFFFAOYSA-N -1 1 306.373 2.678 20 0 DFADMM CC(C)[C@H](NCC(=O)Nc1ccccc1C(C)(C)C)C(=O)[O-] ZINC000827092091 601823637 /nfs/dbraw/zinc/82/36/37/601823637.db2.gz REWADZYDJMOPEY-HNNXBMFYSA-N -1 1 306.406 2.621 20 0 DFADMM COC(=O)c1cccc(CN[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000831453468 601852308 /nfs/dbraw/zinc/85/23/08/601852308.db2.gz PVXGLJNSSMQGQS-OAHLLOKOSA-N -1 1 317.316 2.528 20 0 DFADMM c1ccc(OCCSCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826522699 607533489 /nfs/dbraw/zinc/53/34/89/607533489.db2.gz KXDCIEOHWCDAJE-UHFFFAOYSA-N -1 1 313.386 2.574 20 0 DFADMM c1ccc(OCCSCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000826522699 607533490 /nfs/dbraw/zinc/53/34/90/607533490.db2.gz KXDCIEOHWCDAJE-UHFFFAOYSA-N -1 1 313.386 2.574 20 0 DFADMM CCc1ccc(-c2noc(CN3CC[C@@](C)(C(=O)[O-])C3)n2)cc1 ZINC000263137023 601923167 /nfs/dbraw/zinc/92/31/67/601923167.db2.gz MDPTUUYYVKJUPR-QGZVFWFLSA-N -1 1 315.373 2.596 20 0 DFADMM O=C([O-])c1ccc(COC(=O)c2cc(-c3ccco3)n[nH]2)s1 ZINC000833352661 602003013 /nfs/dbraw/zinc/00/30/13/602003013.db2.gz IFISJNKNUVMSJW-UHFFFAOYSA-N -1 1 318.310 2.786 20 0 DFADMM COc1cccc(C(C)(C)CNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000826214316 607543584 /nfs/dbraw/zinc/54/35/84/607543584.db2.gz HXYJPOSZQGHDHZ-UHFFFAOYSA-N -1 1 324.388 2.660 20 0 DFADMM COc1cccc(C(C)(C)CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000826214316 607543586 /nfs/dbraw/zinc/54/35/86/607543586.db2.gz HXYJPOSZQGHDHZ-UHFFFAOYSA-N -1 1 324.388 2.660 20 0 DFADMM CCCCc1nc2ccc(NC(=O)[C@@H](C)CC(=O)[O-])cc2[nH]1 ZINC000829441472 602128615 /nfs/dbraw/zinc/12/86/15/602128615.db2.gz VCFMMPMCUOQTQE-JTQLQIEISA-N -1 1 303.362 2.955 20 0 DFADMM CCOc1ccc(NCc2ccnc(-c3nnn[n-]3)c2)c(C)c1 ZINC000825643324 607549295 /nfs/dbraw/zinc/54/92/95/607549295.db2.gz MLCHZTPEEWQQPG-UHFFFAOYSA-N -1 1 310.361 2.581 20 0 DFADMM CCOc1ccc(NCc2ccnc(-c3nn[n-]n3)c2)c(C)c1 ZINC000825643324 607549297 /nfs/dbraw/zinc/54/92/97/607549297.db2.gz MLCHZTPEEWQQPG-UHFFFAOYSA-N -1 1 310.361 2.581 20 0 DFADMM CC[C@@](C)(CC(=O)[O-])NCc1nc(-c2ccc(C)cc2)no1 ZINC000828672045 602219303 /nfs/dbraw/zinc/21/93/03/602219303.db2.gz 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C[C@H]1CC[C@H](C)N1CC(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000825871743 603956628 /nfs/dbraw/zinc/95/66/28/603956628.db2.gz HBMJQOKCIDTOKR-RYUDHWBXSA-N -1 1 317.389 2.538 20 0 DFADMM O=C([O-])NC[C@H]1CCCN1Cc1cc(-c2ccc(F)cc2)no1 ZINC000832573032 604071217 /nfs/dbraw/zinc/07/12/17/604071217.db2.gz JRCGHJSLJVQTHY-CYBMUJFWSA-N -1 1 319.336 2.713 20 0 DFADMM O=C([O-])NC[C@@H]1CCCN1Cc1cc(-c2ccc(F)cc2)no1 ZINC000832573033 604072033 /nfs/dbraw/zinc/07/20/33/604072033.db2.gz JRCGHJSLJVQTHY-ZDUSSCGKSA-N -1 1 319.336 2.713 20 0 DFADMM Cc1cccc2nc(CN3CCC[C@@H]([C@H](C)NC(=O)[O-])C3)cn21 ZINC000830539084 604194618 /nfs/dbraw/zinc/19/46/18/604194618.db2.gz PJULPTNELRJDTA-UONOGXRCSA-N -1 1 316.405 2.511 20 0 DFADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2nc3ccccc3o2)C1 ZINC000825273761 604221061 /nfs/dbraw/zinc/22/10/61/604221061.db2.gz QTGVFUXFPZUHSA-RYUDHWBXSA-N -1 1 303.362 2.696 20 0 DFADMM Cc1cc(N[C@H]2CCCN(C(=O)[O-])C2)c2cc(F)ccc2n1 ZINC000832896358 604263981 /nfs/dbraw/zinc/26/39/81/604263981.db2.gz 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20 0 DFADMM COc1ccc(CN[C@@H](C(=O)[O-])c2cccnc2)cc1Cl ZINC000832340519 605008568 /nfs/dbraw/zinc/00/85/68/605008568.db2.gz FBURXQJGAAEBJQ-CQSZACIVSA-N -1 1 306.749 2.659 20 0 DFADMM C[C@@H](NC(=O)[O-])c1ccc(CN[C@H](C)c2cnccn2)cc1 ZINC000825397659 605117993 /nfs/dbraw/zinc/11/79/93/605117993.db2.gz NZZDBMSKNBJXRM-VXGBXAGGSA-N -1 1 300.362 2.656 20 0 DFADMM C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CCN1C ZINC000833621070 605132288 /nfs/dbraw/zinc/13/22/88/605132288.db2.gz HNIOWXHUDRECEK-NOZJJQNGSA-N -1 1 317.216 2.755 20 0 DFADMM CCN1C[C@H](C)N(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)C[C@H]1C ZINC000833659001 605159742 /nfs/dbraw/zinc/15/97/42/605159742.db2.gz XMKGXLDIRSRCPA-OLZOCXBDSA-N -1 1 319.405 2.640 20 0 DFADMM C[C@@H]1CC[C@@H](CCC(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)O1 ZINC000833601972 605179663 /nfs/dbraw/zinc/17/96/63/605179663.db2.gz GBBAHMVICAPCRL-ZJUUUORDSA-N -1 1 317.345 2.547 20 0 DFADMM C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833602371 605318684 /nfs/dbraw/zinc/31/86/84/605318684.db2.gz IJGCXVRRXOXTLS-AOOOYVTPSA-N -1 1 309.341 2.727 20 0 DFADMM CC1=C(C(=O)[O-])C[C@H](CN2CCc3cc(F)ccc3[C@H]2C)O1 ZINC000833581167 605342565 /nfs/dbraw/zinc/34/25/65/605342565.db2.gz UNPIRIAFZRJHTE-QMTHXVAHSA-N -1 1 305.349 2.892 20 0 DFADMM O=C([O-])N1CCC[C@@H]1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000834055260 605542581 /nfs/dbraw/zinc/54/25/81/605542581.db2.gz PWGZZGUIVVSIRT-SNVBAGLBSA-N -1 1 324.287 2.581 20 0 DFADMM O=C([O-])NC[C@H]1CCCN(Cc2cnc(C3CCC3)s2)C1 ZINC000834217852 605556279 /nfs/dbraw/zinc/55/62/79/605556279.db2.gz ZHZKHDROULEERU-LLVKDONJSA-N -1 1 309.435 2.890 20 0 DFADMM O=C([O-])NC[C@@H]1CCCCN1CC1=Cc2ccccc2OC1 ZINC000834217376 605558074 /nfs/dbraw/zinc/55/80/74/605558074.db2.gz DFFFRUYSQHWMEV-HNNXBMFYSA-N -1 1 302.374 2.585 20 0 DFADMM O=C([O-])N[C@H]1CCN(Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000834189220 605569091 /nfs/dbraw/zinc/56/90/91/605569091.db2.gz IOHZSDHJYJIXBD-HNNXBMFYSA-N -1 1 315.348 2.730 20 0 DFADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2cnn(C(C)(C)C)c2)C1 ZINC000833811631 605604370 /nfs/dbraw/zinc/60/43/70/605604370.db2.gz CWMIJXSPOSSODI-OCCSQVGLSA-N -1 1 308.426 2.506 20 0 DFADMM Cc1noc(C)c1CN[C@@H]1C[C@H](NC(=O)[O-])c2ccccc21 ZINC000833933044 605793454 /nfs/dbraw/zinc/79/34/54/605793454.db2.gz USSZTVBJUMZFRJ-CABCVRRESA-N -1 1 301.346 2.835 20 0 DFADMM O=C([O-])N[C@@H]1C[C@H](N[C@H]2c3ccccc3C[C@H]2O)c2ccccc21 ZINC000834159992 605803460 /nfs/dbraw/zinc/80/34/60/605803460.db2.gz RESHXHBVDCXOBU-MLHJIOFPSA-N -1 1 324.380 2.688 20 0 DFADMM Cc1nnc(CN[C@@H](C)C[C@H]2CCCCCN2C(=O)[O-])s1 ZINC000833925309 605809909 /nfs/dbraw/zinc/80/99/09/605809909.db2.gz DGGBLKQQBGGOQK-CMPLNLGQSA-N -1 1 312.439 2.637 20 0 DFADMM O=C([O-])N[C@H]1CCN(Cc2c(Cl)ccc3cccnc32)C1 ZINC000740596777 605911568 /nfs/dbraw/zinc/91/15/68/605911568.db2.gz OJGKQQPVZCCRSG-NSHDSACASA-N -1 1 305.765 2.730 20 0 DFADMM O=C([O-])N[C@H]1CCC[C@H]1NCc1coc(-c2ccccc2)n1 ZINC000834176812 605985505 /nfs/dbraw/zinc/98/55/05/605985505.db2.gz USZUKFBHOQPFEH-KGLIPLIRSA-N -1 1 301.346 2.620 20 0 DFADMM CCS[C@H]1CCCC[C@@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000821457062 606105649 /nfs/dbraw/zinc/10/56/49/606105649.db2.gz UMEMIVFWNVTDNA-JQWIXIFHSA-N -1 1 304.423 2.738 20 0 DFADMM CCS[C@H]1CCCC[C@@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000821457062 606105651 /nfs/dbraw/zinc/10/56/51/606105651.db2.gz UMEMIVFWNVTDNA-JQWIXIFHSA-N -1 1 304.423 2.738 20 0 DFADMM COc1ccccc1[C@@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000821890955 606124860 /nfs/dbraw/zinc/12/48/60/606124860.db2.gz TVDKHCQFGDUDDP-AWEZNQCLSA-N -1 1 322.372 2.612 20 0 DFADMM COc1ccccc1[C@@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000821890955 606124862 /nfs/dbraw/zinc/12/48/62/606124862.db2.gz TVDKHCQFGDUDDP-AWEZNQCLSA-N -1 1 322.372 2.612 20 0 DFADMM O=C(CC1CCCCCC1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822941503 606128911 /nfs/dbraw/zinc/12/89/11/606128911.db2.gz XWVFVBMHMPVEKH-UHFFFAOYSA-N -1 1 315.377 2.871 20 0 DFADMM C[C@H]1[C@H](Cc2ccccc2)CCN1c1cccc(-c2nnn[n-]2)n1 ZINC000820643323 606138659 /nfs/dbraw/zinc/13/86/59/606138659.db2.gz UKOFEZWLGAQITQ-ZFWWWQNUSA-N -1 1 320.400 2.719 20 0 DFADMM C[C@H]1[C@H](Cc2ccccc2)CCN1c1cccc(-c2nn[n-]n2)n1 ZINC000820643323 606138660 /nfs/dbraw/zinc/13/86/60/606138660.db2.gz UKOFEZWLGAQITQ-ZFWWWQNUSA-N -1 1 320.400 2.719 20 0 DFADMM CC(=CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccccc1 ZINC000819764556 606294096 /nfs/dbraw/zinc/29/40/96/606294096.db2.gz JNXXAHIQTGDZOQ-LUAWRHEFSA-N -1 1 321.340 2.614 20 0 DFADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C1CCCCCCC1 ZINC000823289817 606295609 /nfs/dbraw/zinc/29/56/09/606295609.db2.gz PFOCNYMADNDGCK-UHFFFAOYSA-N -1 1 315.377 2.871 20 0 DFADMM Fc1cccc(C2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)c1 ZINC000822786767 606426125 /nfs/dbraw/zinc/42/61/25/606426125.db2.gz OXOGFFATJWLWBB-UHFFFAOYSA-N -1 1 324.363 2.785 20 0 DFADMM Fc1cccc(C2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)c1 ZINC000822786767 606426128 /nfs/dbraw/zinc/42/61/28/606426128.db2.gz OXOGFFATJWLWBB-UHFFFAOYSA-N -1 1 324.363 2.785 20 0 DFADMM O=Cc1ccc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000823556921 606439284 /nfs/dbraw/zinc/43/92/84/606439284.db2.gz BSWWCQQYKZJSIM-UHFFFAOYSA-N -1 1 301.693 2.520 20 0 DFADMM O=Cc1ccc(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000823556921 606439286 /nfs/dbraw/zinc/43/92/86/606439286.db2.gz BSWWCQQYKZJSIM-UHFFFAOYSA-N -1 1 301.693 2.520 20 0 DFADMM CCc1cnc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)s1 ZINC000821499298 606471385 /nfs/dbraw/zinc/47/13/85/606471385.db2.gz HWYHNVOKZDOTJQ-UHFFFAOYSA-N -1 1 321.797 2.546 20 0 DFADMM CCc1cnc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)s1 ZINC000821499298 606471386 /nfs/dbraw/zinc/47/13/86/606471386.db2.gz HWYHNVOKZDOTJQ-UHFFFAOYSA-N -1 1 321.797 2.546 20 0 DFADMM O=C(Oc1ccccc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000823453911 606486773 /nfs/dbraw/zinc/48/67/73/606486773.db2.gz FJTARQWWYFCEJS-UHFFFAOYSA-N -1 1 306.734 2.801 20 0 DFADMM O=C(Oc1ccccc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000823453911 606486774 /nfs/dbraw/zinc/48/67/74/606486774.db2.gz FJTARQWWYFCEJS-UHFFFAOYSA-N -1 1 306.734 2.801 20 0 DFADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820697725 606503291 /nfs/dbraw/zinc/50/32/91/606503291.db2.gz LALUAZSXRBIEEC-NXEZZACHSA-N -1 1 305.407 2.579 20 0 DFADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820697725 606503293 /nfs/dbraw/zinc/50/32/93/606503293.db2.gz LALUAZSXRBIEEC-NXEZZACHSA-N -1 1 305.407 2.579 20 0 DFADMM Cc1ccc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822229266 606504032 /nfs/dbraw/zinc/50/40/32/606504032.db2.gz QLOANGFPKDYUPL-SNVBAGLBSA-N -1 1 313.386 2.728 20 0 DFADMM Cc1ccc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822229266 606504033 /nfs/dbraw/zinc/50/40/33/606504033.db2.gz QLOANGFPKDYUPL-SNVBAGLBSA-N -1 1 313.386 2.728 20 0 DFADMM O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823144186 606573616 /nfs/dbraw/zinc/57/36/16/606573616.db2.gz CLDNYNOGKAFWGH-MNOVXSKESA-N -1 1 317.418 2.627 20 0 DFADMM O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823144186 606573617 /nfs/dbraw/zinc/57/36/17/606573617.db2.gz CLDNYNOGKAFWGH-MNOVXSKESA-N -1 1 317.418 2.627 20 0 DFADMM C[C@@H]1c2ccccc2CN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820827381 606580863 /nfs/dbraw/zinc/58/08/63/606580863.db2.gz SKBCZGMIWDBJKV-SECBINFHSA-N -1 1 311.370 2.645 20 0 DFADMM C[C@@H]1c2ccccc2CN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820827381 606580864 /nfs/dbraw/zinc/58/08/64/606580864.db2.gz SKBCZGMIWDBJKV-SECBINFHSA-N -1 1 311.370 2.645 20 0 DFADMM O=C(Nc1cccc2cnccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823367743 606592164 /nfs/dbraw/zinc/59/21/64/606592164.db2.gz OYCRBWXTTVNJCA-UHFFFAOYSA-N -1 1 322.353 2.729 20 0 DFADMM O=C(Nc1cccc2cnccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823367743 606592166 /nfs/dbraw/zinc/59/21/66/606592166.db2.gz OYCRBWXTTVNJCA-UHFFFAOYSA-N -1 1 322.353 2.729 20 0 DFADMM CC1(CNc2cc(-c3nnn[n-]3)nc3ccccc32)CCOCC1 ZINC000820623731 606608891 /nfs/dbraw/zinc/60/88/91/606608891.db2.gz XCQJNIMCESYNLG-UHFFFAOYSA-N -1 1 324.388 2.644 20 0 DFADMM CC1(CNc2cc(-c3nn[n-]n3)nc3ccccc32)CCOCC1 ZINC000820623731 606608892 /nfs/dbraw/zinc/60/88/92/606608892.db2.gz XCQJNIMCESYNLG-UHFFFAOYSA-N -1 1 324.388 2.644 20 0 DFADMM CCCC[C@@H](CCC)CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821040408 606625682 /nfs/dbraw/zinc/62/56/82/606625682.db2.gz LIRRQHBVYFFFSZ-GFCCVEGCSA-N -1 1 316.409 2.598 20 0 DFADMM CCCC[C@@H](CCC)CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821040408 606625683 /nfs/dbraw/zinc/62/56/83/606625683.db2.gz LIRRQHBVYFFFSZ-GFCCVEGCSA-N -1 1 316.409 2.598 20 0 DFADMM C[C@H]1CCC[C@@H](CCOC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000820697884 606826255 /nfs/dbraw/zinc/82/62/55/606826255.db2.gz NOXJOSLNWSGICD-RYUDHWBXSA-N -1 1 315.377 2.635 20 0 DFADMM C[C@H]1CCC[C@@H](CCOC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000820697884 606826257 /nfs/dbraw/zinc/82/62/57/606826257.db2.gz NOXJOSLNWSGICD-RYUDHWBXSA-N -1 1 315.377 2.635 20 0 DFADMM Cc1c(C)c(C)c(Cn2cccc(-c3nn[n-]n3)c2=O)c(C)c1C ZINC000822020909 606980156 /nfs/dbraw/zinc/98/01/56/606980156.db2.gz NIMAJQRHDAOZAR-UHFFFAOYSA-N -1 1 323.400 2.619 20 0 DFADMM CCC[C@H](C)[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821014458 607164374 /nfs/dbraw/zinc/16/43/74/607164374.db2.gz HJMRLDKYFVDHAO-WDEREUQCSA-N -1 1 319.434 2.969 20 0 DFADMM CCC[C@H](C)[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821014458 607164375 /nfs/dbraw/zinc/16/43/75/607164375.db2.gz HJMRLDKYFVDHAO-WDEREUQCSA-N -1 1 319.434 2.969 20 0 DFADMM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821014457 607164528 /nfs/dbraw/zinc/16/45/28/607164528.db2.gz HJMRLDKYFVDHAO-QWRGUYRKSA-N -1 1 319.434 2.969 20 0 DFADMM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821014457 607164529 /nfs/dbraw/zinc/16/45/29/607164529.db2.gz HJMRLDKYFVDHAO-QWRGUYRKSA-N -1 1 319.434 2.969 20 0 DFADMM O=C(Nc1cccc2ccsc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000826457360 607772680 /nfs/dbraw/zinc/77/26/80/607772680.db2.gz YACBBXGUTARYMX-UHFFFAOYSA-N -1 1 322.353 2.729 20 0 DFADMM O=C(Nc1cccc2ccsc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000826457360 607772681 /nfs/dbraw/zinc/77/26/81/607772681.db2.gz YACBBXGUTARYMX-UHFFFAOYSA-N -1 1 322.353 2.729 20 0 DFADMM Fc1ccc(F)c(COc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826374769 607864725 /nfs/dbraw/zinc/86/47/25/607864725.db2.gz LRTCMAWLUNWQBQ-UHFFFAOYSA-N -1 1 306.247 2.863 20 0 DFADMM Fc1ccc(F)c(COc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826374769 607864726 /nfs/dbraw/zinc/86/47/26/607864726.db2.gz LRTCMAWLUNWQBQ-UHFFFAOYSA-N -1 1 306.247 2.863 20 0 DFADMM Fc1cccc(OCCOc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826377962 607865461 /nfs/dbraw/zinc/86/54/61/607865461.db2.gz OSNRTUBCOZBYCY-UHFFFAOYSA-N -1 1 318.283 2.603 20 0 DFADMM Fc1cccc(OCCOc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826377962 607865462 /nfs/dbraw/zinc/86/54/62/607865462.db2.gz OSNRTUBCOZBYCY-UHFFFAOYSA-N -1 1 318.283 2.603 20 0 DFADMM Cc1ccc(OCCOc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826292229 607866264 /nfs/dbraw/zinc/86/62/64/607866264.db2.gz LZUMWFLBEXPNLQ-UHFFFAOYSA-N -1 1 314.320 2.772 20 0 DFADMM Cc1ccc(OCCOc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826292229 607866265 /nfs/dbraw/zinc/86/62/65/607866265.db2.gz LZUMWFLBEXPNLQ-UHFFFAOYSA-N -1 1 314.320 2.772 20 0 DFADMM Cc1cc(Oc2cccc(F)c2-c2nnn[n-]2)nc(C2CC2)n1 ZINC000826271734 607866865 /nfs/dbraw/zinc/86/68/65/607866865.db2.gz FHRYHYYIVLROFQ-UHFFFAOYSA-N -1 1 312.308 2.774 20 0 DFADMM Cc1cc(Oc2cccc(F)c2-c2nn[n-]n2)nc(C2CC2)n1 ZINC000826271734 607866866 /nfs/dbraw/zinc/86/68/66/607866866.db2.gz FHRYHYYIVLROFQ-UHFFFAOYSA-N -1 1 312.308 2.774 20 0 DFADMM C[C@H]1C[C@@H](c2cccc(F)c2)N(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000824899546 607900533 /nfs/dbraw/zinc/90/05/33/607900533.db2.gz LDQXYPMVRANVEC-NHYWBVRUSA-N -1 1 324.363 2.988 20 0 DFADMM C[C@H]1C[C@@H](c2cccc(F)c2)N(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000824899546 607900534 /nfs/dbraw/zinc/90/05/34/607900534.db2.gz LDQXYPMVRANVEC-NHYWBVRUSA-N -1 1 324.363 2.988 20 0 DFADMM C[C@H]1CCN(c2cccc(-c3nnn[n-]3)n2)[C@H](c2ccco2)C1 ZINC000824962566 607900919 /nfs/dbraw/zinc/90/09/19/607900919.db2.gz VSDXZIDOYXDYSN-AAEUAGOBSA-N -1 1 310.361 2.832 20 0 DFADMM C[C@H]1CCN(c2cccc(-c3nn[n-]n3)n2)[C@H](c2ccco2)C1 ZINC000824962566 607900920 /nfs/dbraw/zinc/90/09/20/607900920.db2.gz VSDXZIDOYXDYSN-AAEUAGOBSA-N -1 1 310.361 2.832 20 0 DFADMM C[C@@H]1C[C@@H]1C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000824900016 607929384 /nfs/dbraw/zinc/92/93/84/607929384.db2.gz RPEIMKMODQKARL-SFYZADRCSA-N -1 1 305.407 2.820 20 0 DFADMM C[C@@H]1C[C@@H]1C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000824900016 607929385 /nfs/dbraw/zinc/92/93/85/607929385.db2.gz RPEIMKMODQKARL-SFYZADRCSA-N -1 1 305.407 2.820 20 0 DFADMM C[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC12CCC2 ZINC000824962034 608195853 /nfs/dbraw/zinc/19/58/53/608195853.db2.gz MZMPJZSIISVAEV-MRVPVSSYSA-N -1 1 324.841 2.993 20 0 DFADMM C[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC12CCC2 ZINC000824962034 608195855 /nfs/dbraw/zinc/19/58/55/608195855.db2.gz MZMPJZSIISVAEV-MRVPVSSYSA-N -1 1 324.841 2.993 20 0 DFADMM CC(C)CCN(CCC(C)C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824249911 608394792 /nfs/dbraw/zinc/39/47/92/608394792.db2.gz XEIWCXMAQQAFNV-UHFFFAOYSA-N -1 1 303.414 2.555 20 0 DFADMM CC(C)CCN(CCC(C)C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824249911 608394794 /nfs/dbraw/zinc/39/47/94/608394794.db2.gz XEIWCXMAQQAFNV-UHFFFAOYSA-N -1 1 303.414 2.555 20 0 DFADMM c1cc(N2CCC[C@H]2CC2CCCCC2)nnc1-c1nnn[n-]1 ZINC000826517016 608409087 /nfs/dbraw/zinc/40/90/87/608409087.db2.gz MDBGDHOFFLKMGV-ZDUSSCGKSA-N -1 1 313.409 2.596 20 0 DFADMM c1cc(N2CCC[C@H]2CC2CCCCC2)nnc1-c1nn[n-]n1 ZINC000826517016 608409088 /nfs/dbraw/zinc/40/90/88/608409088.db2.gz MDBGDHOFFLKMGV-ZDUSSCGKSA-N -1 1 313.409 2.596 20 0 DFADMM CC(C)CC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C ZINC000824243594 608419085 /nfs/dbraw/zinc/41/90/85/608419085.db2.gz JUPZBRXJCNPXLM-LBPRGKRZSA-N -1 1 303.414 2.920 20 0 DFADMM CC(C)CC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C ZINC000824243594 608419087 /nfs/dbraw/zinc/41/90/87/608419087.db2.gz JUPZBRXJCNPXLM-LBPRGKRZSA-N -1 1 303.414 2.920 20 0 DFADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1c(F)cccc1Cl ZINC000824650866 608427189 /nfs/dbraw/zinc/42/71/89/608427189.db2.gz VBMOADDDBDNEPR-ZETCQYMHSA-N -1 1 319.731 2.622 20 0 DFADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1c(F)cccc1Cl ZINC000824650866 608427191 /nfs/dbraw/zinc/42/71/91/608427191.db2.gz VBMOADDDBDNEPR-ZETCQYMHSA-N -1 1 319.731 2.622 20 0 DFADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1c(F)cccc1Cl ZINC000824650865 608427258 /nfs/dbraw/zinc/42/72/58/608427258.db2.gz VBMOADDDBDNEPR-SSDOTTSWSA-N -1 1 319.731 2.622 20 0 DFADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1c(F)cccc1Cl ZINC000824650865 608427260 /nfs/dbraw/zinc/42/72/60/608427260.db2.gz VBMOADDDBDNEPR-SSDOTTSWSA-N -1 1 319.731 2.622 20 0 DFADMM Cc1ccc([C@@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826285905 608429695 /nfs/dbraw/zinc/42/96/95/608429695.db2.gz NIMHIALDDJWFOA-HNNXBMFYSA-N -1 1 321.388 2.697 20 0 DFADMM Cc1ccc([C@@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826285905 608429696 /nfs/dbraw/zinc/42/96/96/608429696.db2.gz NIMHIALDDJWFOA-HNNXBMFYSA-N -1 1 321.388 2.697 20 0 DFADMM c1cc(N2CCC[C@H]2CCC2CCCC2)nnc1-c1nnn[n-]1 ZINC000826517053 608434777 /nfs/dbraw/zinc/43/47/77/608434777.db2.gz NPFSCYKRJFSQLX-ZDUSSCGKSA-N -1 1 313.409 2.596 20 0 DFADMM c1cc(N2CCC[C@H]2CCC2CCCC2)nnc1-c1nn[n-]n1 ZINC000826517053 608434779 /nfs/dbraw/zinc/43/47/79/608434779.db2.gz NPFSCYKRJFSQLX-ZDUSSCGKSA-N -1 1 313.409 2.596 20 0 DFADMM CCC(CC)[C@@H]1C[C@H](Nc2cccc(-c3nnn[n-]3)n2)CCO1 ZINC000825106543 609322254 /nfs/dbraw/zinc/32/22/54/609322254.db2.gz FWKUWQKHMSYDRY-OCCSQVGLSA-N -1 1 316.409 2.657 20 0 DFADMM CCC(CC)[C@@H]1C[C@H](Nc2cccc(-c3nn[n-]n3)n2)CCO1 ZINC000825106543 609322256 /nfs/dbraw/zinc/32/22/56/609322256.db2.gz FWKUWQKHMSYDRY-OCCSQVGLSA-N -1 1 316.409 2.657 20 0 DFADMM CC(C)(C)[C@H]1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000824079126 609601810 /nfs/dbraw/zinc/60/18/10/609601810.db2.gz NALDBCYRENUNNT-NSHDSACASA-N -1 1 323.404 2.682 20 0 DFADMM CC(C)(C)[C@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000824079126 609601811 /nfs/dbraw/zinc/60/18/11/609601811.db2.gz NALDBCYRENUNNT-NSHDSACASA-N -1 1 323.404 2.682 20 0 DFADMM CC(C)c1nnc(CCc2nc(-c3ccc([O-])cc3F)no2)o1 ZINC000278267786 214057758 /nfs/dbraw/zinc/05/77/58/214057758.db2.gz VJHPGQUVPYFBJB-UHFFFAOYSA-N -1 1 318.308 2.873 20 0 DFADMM CC[C@H](COCC(F)(F)F)NC(=O)c1c([O-])cccc1F ZINC000295546039 529401411 /nfs/dbraw/zinc/40/14/11/529401411.db2.gz YEGNIGKMRHYTMF-MRVPVSSYSA-N -1 1 309.259 2.619 20 0 DFADMM Cc1cc(S(=O)(=O)[N-]c2ccc(=O)[nH]c2)sc1Cl ZINC000311226716 231118250 /nfs/dbraw/zinc/11/82/50/231118250.db2.gz PVKQKLVPWZLMHG-UHFFFAOYSA-N -1 1 304.780 2.611 20 0 DFADMM O=C(c1cc(F)ccc1[O-])N1CCO[C@H](c2ccccc2F)C1 ZINC000081958717 192346136 /nfs/dbraw/zinc/34/61/36/192346136.db2.gz UMKXLDHQWYFPMS-INIZCTEOSA-N -1 1 319.307 2.884 20 0 DFADMM Cc1nc(S(=O)(=O)[N-][C@@H](C2CC2)C2CCC2)sc1C ZINC000516856071 300363687 /nfs/dbraw/zinc/36/36/87/300363687.db2.gz JONOKGVRIOAHCM-GFCCVEGCSA-N -1 1 300.449 2.617 20 0 DFADMM Cc1ccc(NCc2cccc([O-])c2Cl)cc1-n1cnnn1 ZINC000328242115 231228853 /nfs/dbraw/zinc/22/88/53/231228853.db2.gz RAJDARUSCOVSFX-UHFFFAOYSA-N -1 1 315.764 2.942 20 0 DFADMM C[N@@H+](CCCC(=O)OC(C)(C)C)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459350958 299086403 /nfs/dbraw/zinc/08/64/03/299086403.db2.gz ZDVGZNSIRAZXKY-UHFFFAOYSA-N -1 1 321.421 2.613 20 0 DFADMM Cc1cccc(NC(=O)[C@@H](C)Sc2nc(C)c(C)c(=O)[n-]2)c1 ZINC000009291573 398375085 /nfs/dbraw/zinc/37/50/85/398375085.db2.gz LYLRMLJRDDEFRH-GFCCVEGCSA-N -1 1 317.414 2.814 20 0 DFADMM CCn1c(CNC(=O)[C@H]2C[C@@H]2c2ccc(C)s2)n[n-]c1=S ZINC000066636605 398389973 /nfs/dbraw/zinc/38/99/73/398389973.db2.gz OLFWOLRIGAJWSI-UWVGGRQHSA-N -1 1 322.459 2.750 20 0 DFADMM Cc1cc(C(=O)NCc2n[n-]c(=S)n2C2CC2)ccc1F ZINC000066638210 398390002 /nfs/dbraw/zinc/39/00/02/398390002.db2.gz USGWVLJFHIMBFO-UHFFFAOYSA-N -1 1 306.366 2.653 20 0 DFADMM Cc1nc(CC[N-]S(=O)(=O)c2cc3ccccc3o2)cs1 ZINC000084936303 398411601 /nfs/dbraw/zinc/41/16/01/398411601.db2.gz NLKZDNSGMJHWQQ-UHFFFAOYSA-N -1 1 322.411 2.719 20 0 DFADMM CCCc1cc(=O)[n-]c(SCc2nc(CC(C)C)no2)n1 ZINC000066965070 398411767 /nfs/dbraw/zinc/41/17/67/398411767.db2.gz XEJHTQJDXXLXIL-UHFFFAOYSA-N -1 1 308.407 2.596 20 0 DFADMM COc1ccc(-c2cnc(CN(C)[C@H](C)CC(=O)[O-])o2)cc1 ZINC000584791610 398414009 /nfs/dbraw/zinc/41/40/09/398414009.db2.gz JBGGXORNLGJRBR-LLVKDONJSA-N -1 1 304.346 2.645 20 0 DFADMM O=S(=O)([N-]Cc1ccc(Cl)o1)c1cccc(F)c1F ZINC000585767038 398446142 /nfs/dbraw/zinc/44/61/42/398446142.db2.gz NQKKYPZYLUHZKA-UHFFFAOYSA-N -1 1 307.705 2.690 20 0 DFADMM Cc1noc([C@@H]2CCCN2C(=O)c2ccc(Cl)cc2[O-])n1 ZINC000286741514 219140165 /nfs/dbraw/zinc/14/01/65/219140165.db2.gz WHINQEDWLKWPPK-NSHDSACASA-N -1 1 307.737 2.714 20 0 DFADMM O=C(c1ccc(Cl)cc1[O-])N1CCC(O)(C(F)(F)F)CC1 ZINC000089947304 398471695 /nfs/dbraw/zinc/47/16/95/398471695.db2.gz MRBWLGXRXDCVTP-UHFFFAOYSA-N -1 1 323.698 2.575 20 0 DFADMM CCO[C@@H]1C[C@@H](NC(=O)c2cc(Cl)ccc2[O-])[C@@H]1SC ZINC000592710334 398472422 /nfs/dbraw/zinc/47/24/22/398472422.db2.gz HDULTQOCOJPATF-RTXFEEFZSA-N -1 1 315.822 2.684 20 0 DFADMM NC(=O)CC[C@H]1CCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000330839570 232105304 /nfs/dbraw/zinc/10/53/04/232105304.db2.gz IWCKNIRPVHWGKZ-SECBINFHSA-N -1 1 312.316 2.838 20 0 DFADMM O=S(=O)([N-]c1cccc2[nH]ccc21)c1ccc2c(c1)COC2 ZINC000068076662 398477045 /nfs/dbraw/zinc/47/70/45/398477045.db2.gz BSTQPBOXWRLUAO-UHFFFAOYSA-N -1 1 314.366 2.999 20 0 DFADMM C[N@H+](CCCCCO)Cc1cccc(O)c1Br ZINC000459498720 299121372 /nfs/dbraw/zinc/12/13/72/299121372.db2.gz CEXUWGZLMUJRNB-UHFFFAOYSA-N -1 1 302.212 2.749 20 0 DFADMM CC(C)(C)OC(=O)[C@@H]1C[C@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000592804268 398487527 /nfs/dbraw/zinc/48/75/27/398487527.db2.gz XMTQVMPNADKFCE-HTQZYQBOSA-N -1 1 313.300 2.587 20 0 DFADMM O=C(NCc1ccc2c(c1)OCO2)c1ccc(Cl)cc1[O-] ZINC000058655992 282440461 /nfs/dbraw/zinc/44/04/61/282440461.db2.gz BITSYTQXIWBOIG-UHFFFAOYSA-N -1 1 305.717 2.704 20 0 DFADMM COc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCC[C@H]2C)c(F)c1 ZINC000588672023 398502630 /nfs/dbraw/zinc/50/26/30/398502630.db2.gz HXSDKIIQVFYUKB-RNCFNFMXSA-N -1 1 319.373 2.830 20 0 DFADMM CCc1nn(C)cc1[N-]S(=O)(=O)C[C@@H](C)c1ccccc1 ZINC000091021318 398502705 /nfs/dbraw/zinc/50/27/05/398502705.db2.gz RYQYHLMPHFOKCX-GFCCVEGCSA-N -1 1 307.419 2.528 20 0 DFADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C)C2)c(F)c1 ZINC000588678441 398502753 /nfs/dbraw/zinc/50/27/53/398502753.db2.gz YKKRIWSOTMSDKH-NXEZZACHSA-N -1 1 319.373 2.830 20 0 DFADMM COc1cc(F)c(S(=O)(=O)[N-]C2CCCCC2)c(F)c1 ZINC000588673279 398502923 /nfs/dbraw/zinc/50/29/23/398502923.db2.gz UVHILKFDGYYVNJ-UHFFFAOYSA-N -1 1 305.346 2.584 20 0 DFADMM CC[C@H]([N-]S(=O)(=O)c1c(F)cc(OC)cc1F)C(C)C ZINC000588679325 398503966 /nfs/dbraw/zinc/50/39/66/398503966.db2.gz CNUBFQVZDLOSHD-LBPRGKRZSA-N -1 1 307.362 2.686 20 0 DFADMM CCCc1cc(=O)[n-]c(S[C@@H](C)c2nc(COC)no2)n1 ZINC000181863421 199364417 /nfs/dbraw/zinc/36/44/17/199364417.db2.gz JZHJQCAQPMHYSO-QMMMGPOBSA-N -1 1 310.379 2.517 20 0 DFADMM CC=CC=CC(=O)N1CCC(c2n[n-]c(=S)n2CC)CC1 ZINC000068453635 190768416 /nfs/dbraw/zinc/76/84/16/190768416.db2.gz KLNSCNFFGLVBJO-TWTPFVCWSA-N -1 1 306.435 2.799 20 0 DFADMM CCOC(=O)[C@H](CC)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000592990000 398515336 /nfs/dbraw/zinc/51/53/36/398515336.db2.gz GRQJQWZLUSQDEA-INIZCTEOSA-N -1 1 319.401 2.906 20 0 DFADMM C[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000313736092 398516613 /nfs/dbraw/zinc/51/66/13/398516613.db2.gz AZZZQVZIVXQMDM-CABZTGNLSA-N -1 1 312.753 2.791 20 0 DFADMM O=C(Nc1ccn(-c2ncccc2F)n1)c1ccc([O-])c(F)c1 ZINC000681059531 545591236 /nfs/dbraw/zinc/59/12/36/545591236.db2.gz WKSCOXJYQOXLQD-UHFFFAOYSA-N -1 1 316.267 2.503 20 0 DFADMM C[C@@H]1C[C@H](C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)CC(C)(C)C1 ZINC000279727398 215096732 /nfs/dbraw/zinc/09/67/32/215096732.db2.gz IWOAGUHFUADDKX-YDGRJCAWSA-N -1 1 300.406 2.743 20 0 DFADMM O=C(NCCC(F)(F)F)c1cc(Br)ccc1[O-] ZINC000075391637 282552241 /nfs/dbraw/zinc/55/22/41/282552241.db2.gz CEWBJXDFEJBYBW-UHFFFAOYSA-N -1 1 312.085 2.837 20 0 DFADMM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1ccccc1F ZINC000036180589 398551932 /nfs/dbraw/zinc/55/19/32/398551932.db2.gz KBUJTGYTCDCIII-UHFFFAOYSA-N -1 1 313.325 2.786 20 0 DFADMM O=C(Nc1nnc(-c2ccccn2)s1)c1cc(F)ccc1[O-] ZINC000080003910 282616313 /nfs/dbraw/zinc/61/63/13/282616313.db2.gz GBUXVCGKZWNRAE-UHFFFAOYSA-N -1 1 316.317 2.697 20 0 DFADMM Cc1nnc2n1CCC[C@H]2NC(=O)c1cc2ccccc2cc1[O-] ZINC000092423335 398575022 /nfs/dbraw/zinc/57/50/22/398575022.db2.gz BMSIGYUDANTSPM-OAHLLOKOSA-N -1 1 322.368 2.710 20 0 DFADMM Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1nc(Cl)ccc1[O-] ZINC000279891159 215211625 /nfs/dbraw/zinc/21/16/25/215211625.db2.gz ZETYUIZTQFIBBV-SSDOTTSWSA-N -1 1 308.769 2.913 20 0 DFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000080540016 192166028 /nfs/dbraw/zinc/16/60/28/192166028.db2.gz ZFPTYPUNCKZWLR-CMPLNLGQSA-N -1 1 305.422 2.684 20 0 DFADMM CCc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c1 ZINC000080923281 282626632 /nfs/dbraw/zinc/62/66/32/282626632.db2.gz SDKRIOHLCKAURK-UHFFFAOYSA-N -1 1 319.382 2.821 20 0 DFADMM Cc1ccc(OCCN(C)C(=O)c2cc(F)ccc2[O-])cc1 ZINC000081931408 282641518 /nfs/dbraw/zinc/64/15/18/282641518.db2.gz IHCDDMZYQHVHRI-UHFFFAOYSA-N -1 1 303.333 2.991 20 0 DFADMM CC(C)c1cc(C(=O)[N-]c2ncn(Cc3ccccc3)n2)on1 ZINC000070803036 398599972 /nfs/dbraw/zinc/59/99/72/398599972.db2.gz ZJVKLOACDPNCFJ-UHFFFAOYSA-N -1 1 311.345 2.690 20 0 DFADMM [O-]c1ccc(-c2noc(COC[C@H]3CCOC3)n2)c(Cl)c1 ZINC000350813261 398610715 /nfs/dbraw/zinc/61/07/15/398610715.db2.gz JEXCSOAXSZULDX-VIFPVBQESA-N -1 1 310.737 2.649 20 0 DFADMM CCOC(=O)[C@H]1CSCCN1Cc1cccc([O-])c1Cl ZINC000590344433 398615579 /nfs/dbraw/zinc/61/55/79/398615579.db2.gz PBQPXZZVOLJYPL-LLVKDONJSA-N -1 1 315.822 2.526 20 0 DFADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(F)c1 ZINC000043588667 398626188 /nfs/dbraw/zinc/62/61/88/398626188.db2.gz KZGFUBYYAHOLGB-UHFFFAOYSA-N -1 1 322.361 2.840 20 0 DFADMM Cc1[nH]n(C)c2nnc(NC(=O)c3cc4ccccc4cc3[O-])c1-2 ZINC000094150163 398655100 /nfs/dbraw/zinc/65/51/00/398655100.db2.gz FBIWCOIIYSOGKJ-UHFFFAOYSA-N -1 1 321.340 2.716 20 0 DFADMM CC(C)(C)CCNC(=O)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000289301822 186608878 /nfs/dbraw/zinc/60/88/78/186608878.db2.gz BOTIRIQUMHUIPP-UHFFFAOYSA-N -1 1 319.377 2.764 20 0 DFADMM O=S(=O)(C[C@@H]1CCCO1)[N-]c1ccc2oc(C3CC3)nc2c1 ZINC000172365584 198086367 /nfs/dbraw/zinc/08/63/67/198086367.db2.gz OFZNUIZDENVKMC-LBPRGKRZSA-N -1 1 322.386 2.626 20 0 DFADMM O=C(NC1CCN(c2ccccc2)CC1)c1c([O-])cccc1F ZINC000120580294 282790044 /nfs/dbraw/zinc/79/00/44/282790044.db2.gz TYVXZUUTUHRCDA-UHFFFAOYSA-N -1 1 314.360 2.930 20 0 DFADMM CS[C@@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccccc1 ZINC000172522647 198108930 /nfs/dbraw/zinc/10/89/30/198108930.db2.gz VMNTZXINJWPWAR-MRVPVSSYSA-N -1 1 316.308 2.866 20 0 DFADMM CCS[C@H](C)c1noc(C[N@@H+](CCC(=O)[O-])CC2CC2)n1 ZINC000593743403 398679536 /nfs/dbraw/zinc/67/95/36/398679536.db2.gz CRQYUVWKKOKETI-SNVBAGLBSA-N -1 1 313.423 2.570 20 0 DFADMM CCS[C@H](C)c1noc(CN(CCC(=O)[O-])CC2CC2)n1 ZINC000593743403 398679538 /nfs/dbraw/zinc/67/95/38/398679538.db2.gz CRQYUVWKKOKETI-SNVBAGLBSA-N -1 1 313.423 2.570 20 0 DFADMM O=C([N-]c1nnc(-c2ccco2)s1)c1cc(C2CC2)on1 ZINC000073544030 398686630 /nfs/dbraw/zinc/68/66/30/398686630.db2.gz NQZCMFPUZYMCGE-UHFFFAOYSA-N -1 1 302.315 2.916 20 0 DFADMM CC(C)c1nncn1CCNC(=O)c1ccc2ccccc2c1[O-] ZINC000174346509 198321866 /nfs/dbraw/zinc/32/18/66/198321866.db2.gz RADHNRHQPRMYQC-UHFFFAOYSA-N -1 1 324.384 2.690 20 0 DFADMM Cc1nc(NC(=O)[C@@H](C)C2CC2)sc1-c1n[n-]c(=S)n1C ZINC000175256470 198452780 /nfs/dbraw/zinc/45/27/80/198452780.db2.gz JNKNZCNOWQYINQ-LURJTMIESA-N -1 1 323.447 2.894 20 0 DFADMM CCCc1nc(=NC[C@@H](c2ccc(C)cc2)N(C)C)s[n-]1 ZINC000461784585 299220894 /nfs/dbraw/zinc/22/08/94/299220894.db2.gz LWZOHBGIIHRRKB-AWEZNQCLSA-N -1 1 304.463 2.936 20 0 DFADMM Cc1cccc([C@@H](C)C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c1 ZINC000332469024 235003330 /nfs/dbraw/zinc/00/33/30/235003330.db2.gz WUQLYGQRVQZRLQ-OCCSQVGLSA-N -1 1 315.373 2.593 20 0 DFADMM Cc1cccc([C@H](C)C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c1 ZINC000332469021 235004255 /nfs/dbraw/zinc/00/42/55/235004255.db2.gz 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/nfs/dbraw/zinc/04/18/87/426041887.db2.gz CZDBVMPCTKBUIK-SNVBAGLBSA-N -1 1 313.332 2.909 20 0 DFADMM C[C@@]1(C(=O)[O-])CCN(Cc2ccc(Br)c(F)c2)C1 ZINC000161955081 426047097 /nfs/dbraw/zinc/04/70/97/426047097.db2.gz ONHGVRHTDFGBFG-CYBMUJFWSA-N -1 1 316.170 2.885 20 0 DFADMM O=C(N[C@H]1CCOc2c(Cl)cccc21)c1cncc([O-])c1 ZINC000111578501 426053051 /nfs/dbraw/zinc/05/30/51/426053051.db2.gz HNLQZSZHPAIINE-ZDUSSCGKSA-N -1 1 304.733 2.694 20 0 DFADMM O=C(Nc1cccc(NC(=O)c2cncc([O-])c2)c1)c1ccoc1 ZINC000111590128 426053570 /nfs/dbraw/zinc/05/35/70/426053570.db2.gz SOXLISTWNIQMPB-UHFFFAOYSA-N -1 1 323.308 2.885 20 0 DFADMM COc1ccc2ccccc2c1CNC(=O)c1cncc([O-])c1 ZINC000111559044 426053649 /nfs/dbraw/zinc/05/36/49/426053649.db2.gz DNUQZPJMFCMUMB-UHFFFAOYSA-N -1 1 308.337 2.879 20 0 DFADMM Cc1csc(=O)n1CCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111666401 426054773 /nfs/dbraw/zinc/05/47/73/426054773.db2.gz HJIVUMIEEACHHO-UHFFFAOYSA-N -1 1 312.778 2.606 20 0 DFADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C)cc1 ZINC000075082581 426062570 /nfs/dbraw/zinc/06/25/70/426062570.db2.gz KHESZCCIOSMLFM-UHFFFAOYSA-N -1 1 322.361 2.893 20 0 DFADMM O=C(CCNC(=O)c1ccc(Cl)cc1[O-])Nc1ccccc1 ZINC000113102776 426104950 /nfs/dbraw/zinc/10/49/50/426104950.db2.gz IZGLKECOYRFMPN-UHFFFAOYSA-N -1 1 318.760 2.804 20 0 DFADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)CCC(C)(C)C)o1 ZINC000076300247 426106480 /nfs/dbraw/zinc/10/64/80/426106480.db2.gz BTRWKKPNTGOWKK-JTQLQIEISA-N -1 1 317.407 2.559 20 0 DFADMM C[C@@H]1CN(c2ccc(NC(=O)c3ccccc3[O-])cc2)CCO1 ZINC000076444772 426111651 /nfs/dbraw/zinc/11/16/51/426111651.db2.gz OLYNNHUGKFRFTA-CYBMUJFWSA-N -1 1 312.369 2.870 20 0 DFADMM CCc1ccc(-c2noc(CN3CCC[C@@H](C(=O)[O-])C3)n2)cc1 ZINC000164613796 426114981 /nfs/dbraw/zinc/11/49/81/426114981.db2.gz NCRZFBHPMPIKPF-CQSZACIVSA-N -1 1 315.373 2.596 20 0 DFADMM Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CCC[C@H](C(=O)[O-])C1 ZINC000164558076 426115914 /nfs/dbraw/zinc/11/59/14/426115914.db2.gz YOWWRAWPSJEAEL-NEPJUHHUSA-N -1 1 324.808 2.772 20 0 DFADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)nc2C)cc1C ZINC000128726306 426130254 /nfs/dbraw/zinc/13/02/54/426130254.db2.gz KQZKBISAUNVVDZ-UHFFFAOYSA-N -1 1 306.387 2.816 20 0 DFADMM O=C(NCc1ccccc1CO)c1ccc2ccccc2c1[O-] ZINC000127610106 426076697 /nfs/dbraw/zinc/07/66/97/426076697.db2.gz BGRPQGOWOSTLDZ-UHFFFAOYSA-N -1 1 307.349 2.968 20 0 DFADMM O=C(c1ncccc1[O-])N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000131844047 426166974 /nfs/dbraw/zinc/16/69/74/426166974.db2.gz BUXQGVYNEUOEPP-KGLIPLIRSA-N -1 1 316.401 2.931 20 0 DFADMM CC(C)OCCCC[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000133366794 426174504 /nfs/dbraw/zinc/17/45/04/426174504.db2.gz WRBMIHMSCPLPPV-UHFFFAOYSA-N -1 1 323.817 2.963 20 0 DFADMM CCCc1n[n-]c(=S)n1CC(=O)NCCc1ccc(C)cc1 ZINC000116208481 426183125 /nfs/dbraw/zinc/18/31/25/426183125.db2.gz DGOYRDWSTNRMPW-UHFFFAOYSA-N -1 1 318.446 2.561 20 0 DFADMM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2sccc2F)s1 ZINC000338949975 268745331 /nfs/dbraw/zinc/74/53/31/268745331.db2.gz DISYCLUIBHDPNA-SSDOTTSWSA-N -1 1 320.436 2.734 20 0 DFADMM Cc1cccc(NC(=O)NCc2n[n-]c(=S)n2C)c1Cl ZINC000085616776 426253504 /nfs/dbraw/zinc/25/35/04/426253504.db2.gz IVACNTOSVAAPLW-UHFFFAOYSA-N -1 1 311.798 2.761 20 0 DFADMM CC(=O)Nc1cccc([C@H](C)NC(=O)c2cc(F)ccc2[O-])c1 ZINC000080001952 426208645 /nfs/dbraw/zinc/20/86/45/426208645.db2.gz FSQLOWBJNPUFQB-JTQLQIEISA-N -1 1 316.332 2.981 20 0 DFADMM Cc1cc(F)ccc1-c1ccc(C(=O)Nc2nnn[n-]2)cc1F ZINC000117412640 426215012 /nfs/dbraw/zinc/21/50/12/426215012.db2.gz LSULPONKEQLMEA-UHFFFAOYSA-N -1 1 315.283 2.706 20 0 DFADMM Cc1cc(F)ccc1-c1ccc(C(=O)Nc2nn[n-]n2)cc1F ZINC000117412640 426215015 /nfs/dbraw/zinc/21/50/15/426215015.db2.gz LSULPONKEQLMEA-UHFFFAOYSA-N -1 1 315.283 2.706 20 0 DFADMM O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cncc([O-])c1 ZINC000171862390 426217091 /nfs/dbraw/zinc/21/70/91/426217091.db2.gz HCASHBLRDBISQV-MRXNPFEDSA-N -1 1 314.341 2.597 20 0 DFADMM CC(C)c1ccccc1OCCNC(=O)c1cncc([O-])c1 ZINC000171879502 426217311 /nfs/dbraw/zinc/21/73/11/426217311.db2.gz BBMJOONNDCXWSN-UHFFFAOYSA-N -1 1 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426384709 /nfs/dbraw/zinc/38/47/09/426384709.db2.gz ZWHJVLIPSAYSKC-UHFFFAOYSA-N -1 1 316.361 2.669 20 0 DFADMM COC(=O)C1(NC(=O)c2c([O-])cccc2F)CCCCCC1 ZINC000122665126 426387150 /nfs/dbraw/zinc/38/71/50/426387150.db2.gz YSLLBEZGEJLYGG-UHFFFAOYSA-N -1 1 309.337 2.527 20 0 DFADMM CCO[C@@H]1C[C@H](N(C)C(=O)c2ncccc2[O-])C12CCCC2 ZINC000153880437 426411268 /nfs/dbraw/zinc/41/12/68/426411268.db2.gz PXICUQCQLNLIJJ-UONOGXRCSA-N -1 1 304.390 2.597 20 0 DFADMM CCC[C@@H](NC(=O)c1ccc(CSCC)cc1)c1nn[n-]n1 ZINC000176778309 426414277 /nfs/dbraw/zinc/41/42/77/426414277.db2.gz BLAFQVQNFKILON-CYBMUJFWSA-N -1 1 319.434 2.724 20 0 DFADMM CCC[C@@H](NC(=O)c1oc2c(cccc2C)c1C)c1nn[n-]n1 ZINC000176785969 426414441 /nfs/dbraw/zinc/41/44/41/426414441.db2.gz DNZSDTBAAWLCSK-GFCCVEGCSA-N -1 1 313.361 2.834 20 0 DFADMM COc1ccc2c(c1)[n-]cc(C(=O)N(C)CCC1CC1)c2=O ZINC000153997545 426417548 /nfs/dbraw/zinc/41/75/48/426417548.db2.gz VLKREBXRRPJQJK-UHFFFAOYSA-N -1 1 300.358 2.821 20 0 DFADMM CN(CCOc1ccc(F)cc1)C(=O)c1cc(F)ccc1[O-] ZINC000176978035 426431267 /nfs/dbraw/zinc/43/12/67/426431267.db2.gz GQMHHGIGZCUSSN-UHFFFAOYSA-N -1 1 307.296 2.821 20 0 DFADMM O=C(NCc1sccc1Br)c1cncc([O-])c1 ZINC000096481516 426434043 /nfs/dbraw/zinc/43/40/43/426434043.db2.gz RHQGQAQCDIZFMR-UHFFFAOYSA-N -1 1 313.176 2.541 20 0 DFADMM CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2F)O1 ZINC000340964358 269029458 /nfs/dbraw/zinc/02/94/58/269029458.db2.gz VWXFJNMFZMPWOX-JTQLQIEISA-N -1 1 321.801 2.715 20 0 DFADMM CO[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000340973412 269030784 /nfs/dbraw/zinc/03/07/84/269030784.db2.gz PTVGPDOFXLJTFP-SKDRFNHKSA-N -1 1 321.801 2.573 20 0 DFADMM CC(C)c1scnc1[N-]S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000341081963 269041397 /nfs/dbraw/zinc/04/13/97/269041397.db2.gz BJSAFNSAJQIKSL-PHIMTYICSA-N -1 1 317.480 2.901 20 0 DFADMM Cc1ccc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1 ZINC000123711797 426448826 /nfs/dbraw/zinc/44/88/26/426448826.db2.gz IRXJKLJECOKWNG-UHFFFAOYSA-N -1 1 313.401 2.614 20 0 DFADMM Cc1noc([C@@H]2CCCN(C(=O)c3ccc(Cl)cc3[O-])C2)n1 ZINC000097128747 426451779 /nfs/dbraw/zinc/45/17/79/426451779.db2.gz MDGSCXIEZFRCOM-SNVBAGLBSA-N -1 1 321.764 2.757 20 0 DFADMM O=C(c1ccc(Cl)cc1[O-])N1CCCC[C@@H]1c1ncon1 ZINC000123881176 426458437 /nfs/dbraw/zinc/45/84/37/426458437.db2.gz YUZSTMOXPZDSLG-LLVKDONJSA-N -1 1 307.737 2.796 20 0 DFADMM O=C(N[C@@H](Cc1ccccc1)c1ccccc1F)c1cnn[nH]1 ZINC000154999045 426461701 /nfs/dbraw/zinc/46/17/01/426461701.db2.gz GFMQDUCHXDIPDN-HNNXBMFYSA-N -1 1 310.332 2.658 20 0 DFADMM C[C@@H](CC1CCCCC1)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155489459 426473159 /nfs/dbraw/zinc/47/31/59/426473159.db2.gz FOULIKUTEKDYCR-GXTWGEPZSA-N -1 1 305.426 2.512 20 0 DFADMM CC[C@H](CC(=O)N(C)C[C@@H](C)c1nn[n-]n1)c1ccc(C)cc1 ZINC000124228087 426476710 /nfs/dbraw/zinc/47/67/10/426476710.db2.gz ROFSVONUWTWCBE-ZIAGYGMSSA-N -1 1 315.421 2.654 20 0 DFADMM O=S(=O)([N-]c1ccc2c(c1)CCCO2)c1cccc(F)c1 ZINC000195451112 426525763 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310.825 2.926 20 0 DFADMM CCN(CC)Cc1ccc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])o1 ZINC000321805204 426969519 /nfs/dbraw/zinc/96/95/19/426969519.db2.gz ZGUZGIDQEKVQNT-ZDUSSCGKSA-N -1 1 324.421 2.598 20 0 DFADMM C[C@H](NC(=O)c1ccc([O-])cc1F)c1ccc(NC(N)=O)cc1 ZINC000181881338 426989681 /nfs/dbraw/zinc/98/96/81/426989681.db2.gz LYDQUZUVHCOWGT-VIFPVBQESA-N -1 1 317.320 2.513 20 0 DFADMM Cc1csc([C@H]2CN(C(=O)c3cc(F)ccc3[O-])CCO2)n1 ZINC000283048472 426939522 /nfs/dbraw/zinc/93/95/22/426939522.db2.gz IUJRZFQGUBHQGB-CYBMUJFWSA-N -1 1 322.361 2.510 20 0 DFADMM O=C(c1cc(Br)ccc1[O-])N1CCC(CF)CC1 ZINC000296049879 427058699 /nfs/dbraw/zinc/05/86/99/427058699.db2.gz XYYLYGIUKPVJAI-UHFFFAOYSA-N -1 1 316.170 2.976 20 0 DFADMM CCN(C(=O)c1c[n-]c2c(cnn2C)c1=O)[C@H]1CCCC[C@H]1C ZINC000181915761 426996321 /nfs/dbraw/zinc/99/63/21/426996321.db2.gz JZKLJCVLLDKHTD-RISCZKNCSA-N -1 1 316.405 2.715 20 0 DFADMM Cc1cc(C)cc(C2(C(=O)/N=c3/ccnc4n(C)[n-]cc3-4)CC2)c1 ZINC000283333763 426997099 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Cc1ccc2c(C[N@@H+](C)C[C@H](O)C(F)(F)F)ccc(O)c2n1 ZINC000338280320 427232314 /nfs/dbraw/zinc/23/23/14/427232314.db2.gz KHIOEJIMMXPPPL-ZDUSSCGKSA-N -1 1 314.307 2.604 20 0 DFADMM CCS[C@@H]1CCCCN(C(=O)c2cc(F)cc3nn[nH]c32)C1 ZINC000277594910 427255728 /nfs/dbraw/zinc/25/57/28/427255728.db2.gz GLEYCNLTXQEVQK-LLVKDONJSA-N -1 1 322.409 2.845 20 0 DFADMM O=C(N[C@@H]1CCCOCC1)c1c([O-])cnc2ccc(Cl)cc21 ZINC000338402906 427304092 /nfs/dbraw/zinc/30/40/92/427304092.db2.gz ZYNRQIYXTCQJJL-LLVKDONJSA-N -1 1 320.776 2.893 20 0 DFADMM CC[C@H](C)CCC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000285683752 427306363 /nfs/dbraw/zinc/30/63/63/427306363.db2.gz BMJNTPICMFXIED-JTQLQIEISA-N -1 1 316.398 2.962 20 0 DFADMM CC[C@@H](CCO)CNC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000338416510 427309252 /nfs/dbraw/zinc/30/92/52/427309252.db2.gz QAYJTHDPQJFMAS-JTQLQIEISA-N -1 1 322.792 2.732 20 0 DFADMM CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(F)cc1[O-] ZINC000270338061 427327812 /nfs/dbraw/zinc/32/78/12/427327812.db2.gz 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O=C([O-])c1ccc(CN2C[C@H](O)C[C@H]2c2cccc(F)c2)cc1 ZINC000263385511 427477783 /nfs/dbraw/zinc/47/77/83/427477783.db2.gz CTTHYMHRWLVKDB-SJORKVTESA-N -1 1 315.344 2.832 20 0 DFADMM OC[C@H](CN=c1nc(C(F)(F)F)[n-]s1)C1CCCCC1 ZINC000338769452 427478153 /nfs/dbraw/zinc/47/81/53/427478153.db2.gz YTQSOGFOYMNEIM-VIFPVBQESA-N -1 1 309.357 2.580 20 0 DFADMM CC(C)(CO)[C@@H](NCc1ccc(C(=O)[O-])cc1)c1cccnc1 ZINC000263394447 427479611 /nfs/dbraw/zinc/47/96/11/427479611.db2.gz GEBUXKCTTRVAGT-INIZCTEOSA-N -1 1 314.385 2.629 20 0 DFADMM CC[C@H](C)[C@H](NCC(=O)Nc1ccc(C(C)C)cc1)C(=O)[O-] ZINC000263154026 427424712 /nfs/dbraw/zinc/42/47/12/427424712.db2.gz PUPJZVSDXMJIKA-LRDDRELGSA-N -1 1 306.406 2.837 20 0 DFADMM CNC(=O)CC[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000286305242 427487357 /nfs/dbraw/zinc/48/73/57/427487357.db2.gz WFVSTKLPAQOPRL-LBPRGKRZSA-N -1 1 324.808 2.567 20 0 DFADMM CO[C@@H](C)CN(C)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000286367346 427503988 /nfs/dbraw/zinc/50/39/88/427503988.db2.gz 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/nfs/dbraw/zinc/20/83/32/429208332.db2.gz OOBFCJYLZWCDIG-UHFFFAOYSA-N -1 1 315.373 2.630 20 0 DFADMM O=C(c1ncccc1[O-])N1CCS[C@@H](c2ccccc2)C1 ZINC000364478546 429210966 /nfs/dbraw/zinc/21/09/66/429210966.db2.gz GRBLYCBBNSJKTL-CQSZACIVSA-N -1 1 300.383 2.718 20 0 DFADMM CC[C@H](C(=O)NC(C)(C)CCC(=O)[O-])N(C)Cc1ccccc1 ZINC000455835153 429215760 /nfs/dbraw/zinc/21/57/60/429215760.db2.gz RXAMDTPBJLYIAI-OAHLLOKOSA-N -1 1 320.433 2.657 20 0 DFADMM O=C(c1ccc([O-])cc1F)N1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425129489 429236843 /nfs/dbraw/zinc/23/68/43/429236843.db2.gz HAAIYUAJZFNCNL-MRXNPFEDSA-N -1 1 319.376 2.953 20 0 DFADMM O=C(c1cc(F)ccc1[O-])N1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425129837 429236854 /nfs/dbraw/zinc/23/68/54/429236854.db2.gz HSIPVRNLQHLOQY-MRXNPFEDSA-N -1 1 319.376 2.953 20 0 DFADMM CC[C@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cc(C)cc2F)CCO1 ZINC000425191795 429244655 /nfs/dbraw/zinc/24/46/55/429244655.db2.gz XYHSWFGVDLKXQD-MNOVXSKESA-N -1 1 319.373 2.509 20 0 DFADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)c1 ZINC000443398847 429248017 /nfs/dbraw/zinc/24/80/17/429248017.db2.gz JZCNLNIKJBVSPV-UHFFFAOYSA-N -1 1 317.370 2.762 20 0 DFADMM CC(C)c1nc(=N[C@@H](C)CCCNC(=O)OC(C)(C)C)o[n-]1 ZINC000495864157 429281979 /nfs/dbraw/zinc/28/19/79/429281979.db2.gz HDXJTSIDBYOEMB-NSHDSACASA-N -1 1 312.414 2.720 20 0 DFADMM CC1(C)COC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000456542162 429320754 /nfs/dbraw/zinc/32/07/54/429320754.db2.gz NLYLEXYUHSBXMO-NSHDSACASA-N -1 1 303.280 2.566 20 0 DFADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000456372723 429289775 /nfs/dbraw/zinc/28/97/75/429289775.db2.gz GGFAINPXNPXFAS-WZRBSPASSA-N -1 1 309.793 2.669 20 0 DFADMM O=C([O-])C[C@H]1CCCN(C(=O)c2[nH]nc3ccc(Cl)cc32)C1 ZINC000517741871 429395230 /nfs/dbraw/zinc/39/52/30/429395230.db2.gz HIZZGPYDTGGWRY-SECBINFHSA-N -1 1 321.764 2.543 20 0 DFADMM O=C([O-])Cc1ccccc1CNCc1c[nH]c(-c2ccccc2)n1 ZINC000426690629 429408910 /nfs/dbraw/zinc/40/89/10/429408910.db2.gz 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429451592 /nfs/dbraw/zinc/45/15/92/429451592.db2.gz PPCKRVKJGAPAKL-UHFFFAOYSA-N -1 1 317.395 2.954 20 0 DFADMM CC(C)CN1C[C@H](c2nc(-c3ccc([O-])cc3F)no2)CC1=O ZINC000519298645 429453758 /nfs/dbraw/zinc/45/37/58/429453758.db2.gz BRBOTJANHHEGGJ-SNVBAGLBSA-N -1 1 319.336 2.553 20 0 DFADMM Cc1cnc(C(=O)N[C@@H](C)c2noc(-c3ccccc3)n2)c([O-])c1 ZINC000427751570 429469489 /nfs/dbraw/zinc/46/94/89/429469489.db2.gz GCYLXXCRBZVTJK-NSHDSACASA-N -1 1 324.340 2.637 20 0 DFADMM CCOc1ccc2c(c1)CCN(C(=O)c1ncc(C)cc1[O-])C2 ZINC000427772187 429469497 /nfs/dbraw/zinc/46/94/97/429469497.db2.gz UEKMMYJPVNLCJU-UHFFFAOYSA-N -1 1 312.369 2.693 20 0 DFADMM COc1cccc(-c2nc(CN(C)C[C@H](C)C(=O)[O-])cs2)c1 ZINC000518199626 429414334 /nfs/dbraw/zinc/41/43/34/429414334.db2.gz ANNWADXWCDFJLO-NSHDSACASA-N -1 1 320.414 2.971 20 0 DFADMM Cn1c(CN[C@H](CC(=O)[O-])c2ccccc2)nc2ccccc21 ZINC000426818715 429418904 /nfs/dbraw/zinc/41/89/04/429418904.db2.gz GHALFCNRMHKPQR-OAHLLOKOSA-N -1 1 309.369 2.879 20 0 DFADMM Cc1ncccc1CN[C@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000426827460 429418982 /nfs/dbraw/zinc/41/89/82/429418982.db2.gz RYJAUGGKKYBKOQ-OAHLLOKOSA-N -1 1 306.312 2.974 20 0 DFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](C)CC(C)(C)C ZINC000457206969 429427322 /nfs/dbraw/zinc/42/73/22/429427322.db2.gz CVHDUIGZQFGZQI-SNVBAGLBSA-N -1 1 318.421 2.535 20 0 DFADMM CC(C)(C)OC(=O)[C@@]1(C)CCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000457246987 429433489 /nfs/dbraw/zinc/43/34/89/429433489.db2.gz WVEOYARTGKGCJB-KRWDZBQOSA-N -1 1 323.364 2.725 20 0 DFADMM C[C@@H](c1cccnc1)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000519645236 429476285 /nfs/dbraw/zinc/47/62/85/429476285.db2.gz PUMHMLFSCQKTMM-ZDUSSCGKSA-N -1 1 300.358 2.738 20 0 DFADMM CN(Cc1ccc(C(=O)[O-])s1)C[C@@H]1COc2ccccc2O1 ZINC000519828540 429494078 /nfs/dbraw/zinc/49/40/78/429494078.db2.gz OSVBUATUCDVKGB-LLVKDONJSA-N -1 1 319.382 2.718 20 0 DFADMM C[C@H](NC(=O)c1ccc([O-])cc1F)c1nc2c(s1)CCC2 ZINC000457915812 429548540 /nfs/dbraw/zinc/54/85/40/429548540.db2.gz JRIQCAVASAASTN-QMMMGPOBSA-N -1 1 306.362 2.968 20 0 DFADMM C[C@H](NC(=O)c1c([O-])cccc1F)c1nc2c(s1)CCC2 ZINC000457932725 429552037 /nfs/dbraw/zinc/55/20/37/429552037.db2.gz SJRBJXUPBOLVDL-QMMMGPOBSA-N -1 1 306.362 2.968 20 0 DFADMM CN(CCCOc1ccc(Cl)cc1)Cc1oncc1C(=O)[O-] ZINC000521446676 429553494 /nfs/dbraw/zinc/55/34/94/429553494.db2.gz JWNGQZYYYLDLSR-UHFFFAOYSA-N -1 1 324.764 2.927 20 0 DFADMM Cc1cnc(C(=O)N2CCc3cccc(Cl)c3C2)c([O-])c1 ZINC000458006125 429563416 /nfs/dbraw/zinc/56/34/16/429563416.db2.gz BUVILSTYSAWBKC-UHFFFAOYSA-N -1 1 302.761 2.948 20 0 DFADMM COc1cc(C(=O)N2CCC(C)(OC)CC2)cc(Cl)c1[O-] ZINC000428649796 429541986 /nfs/dbraw/zinc/54/19/86/429541986.db2.gz MJFNESZFHYXLDP-UHFFFAOYSA-N -1 1 313.781 2.695 20 0 DFADMM Cc1cnc(C[N-]S(=O)(=O)c2cccc(Cl)c2F)s1 ZINC000525182912 429647663 /nfs/dbraw/zinc/64/76/63/429647663.db2.gz FXXXIRLNDIFZSK-UHFFFAOYSA-N -1 1 320.798 2.723 20 0 DFADMM O=C(CC/C=C\c1ccccc1)NC1(c2nn[n-]n2)CCCC1 ZINC000523156355 429601794 /nfs/dbraw/zinc/60/17/94/429601794.db2.gz RALHTBPBRRKVSU-WMZJFQQLSA-N -1 1 311.389 2.579 20 0 DFADMM CC(C)[C@H]1C[C@@H](CN=c2nc(C(F)(F)F)[n-]s2)CCO1 ZINC000450741973 429690068 /nfs/dbraw/zinc/69/00/68/429690068.db2.gz ZEJAWHHUQLVUKG-DTWKUNHWSA-N -1 1 309.357 2.842 20 0 DFADMM O=C(c1cccc2nn[nH]c21)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000526123548 429702815 /nfs/dbraw/zinc/70/28/15/429702815.db2.gz LIBSYOWURCZMNB-CQSZACIVSA-N -1 1 324.359 2.944 20 0 DFADMM O=S(=O)([N-][C@@H]1[C@@H]2CCC[C@@H]21)c1sccc1Br ZINC000486865071 429754233 /nfs/dbraw/zinc/75/42/33/429754233.db2.gz KCFMIHTWBXRWMH-SRSLHRDFSA-N -1 1 322.249 2.587 20 0 DFADMM Cc1ccc2c(c1)[C@@H](NC(=O)c1c(F)ccc([O-])c1F)CO2 ZINC000368052579 429775772 /nfs/dbraw/zinc/77/57/72/429775772.db2.gz XAVRSFUXAWXJJE-NSHDSACASA-N -1 1 305.280 2.842 20 0 DFADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@@H](n2cccn2)C1 ZINC000368292194 429825638 /nfs/dbraw/zinc/82/56/38/429825638.db2.gz VAIDTQCAVFWCPE-OAHLLOKOSA-N -1 1 307.353 2.829 20 0 DFADMM CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)[N-]OCC(C)C ZINC000493909163 429848728 /nfs/dbraw/zinc/84/87/28/429848728.db2.gz UYZHHWQEQCOWOE-OAHLLOKOSA-N -1 1 302.415 2.631 20 0 DFADMM COC1(CC[N-]S(=O)(=O)c2sccc2Cl)CCC1 ZINC000451580771 429857634 /nfs/dbraw/zinc/85/76/34/429857634.db2.gz IPLRVTFQXPSBPI-UHFFFAOYSA-N -1 1 309.840 2.639 20 0 DFADMM CC[C@H]([N-]S(=O)(=O)c1sccc1Cl)[C@@H]1CCCO1 ZINC000451337883 429814215 /nfs/dbraw/zinc/81/42/15/429814215.db2.gz HJIRZUJXEDIJGY-UWVGGRQHSA-N -1 1 309.840 2.637 20 0 DFADMM O=S(=O)([N-]C[C@@H]1CC[C@H]2C[C@H]2C1)c1cccc(F)c1F ZINC000528454937 429890362 /nfs/dbraw/zinc/89/03/62/429890362.db2.gz ZKMLKZORZOODOU-OUAUKWLOSA-N -1 1 301.358 2.679 20 0 DFADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cc2cscc2s1 ZINC000528600170 429901711 /nfs/dbraw/zinc/90/17/11/429901711.db2.gz YMUBQVAGTMIIBY-UHFFFAOYSA-N -1 1 319.415 2.675 20 0 DFADMM COc1ccnc(CN2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1 ZINC000573507482 429958544 /nfs/dbraw/zinc/95/85/44/429958544.db2.gz ZYZSONYQYPBYFN-PBHICJAKSA-N -1 1 318.417 2.946 20 0 DFADMM CC1(C)CN(Cc2ncccc2[O-])C[C@@](C)(C(F)(F)F)O1 ZINC000573749438 429978641 /nfs/dbraw/zinc/97/86/41/429978641.db2.gz INVCZQBHXYKSEF-ZDUSSCGKSA-N -1 1 304.312 2.719 20 0 DFADMM Cc1ccc(-n2cnc3c2CCN(Cc2ncccc2[O-])C3)cc1 ZINC000573288220 429941695 /nfs/dbraw/zinc/94/16/95/429941695.db2.gz RGHWGUJOFKLNQC-UHFFFAOYSA-N -1 1 320.396 2.840 20 0 DFADMM CCCc1[n-]n(C[C@@H]2COc3ccccc3O2)c(=O)c1CC ZINC000634590263 430045181 /nfs/dbraw/zinc/04/51/81/430045181.db2.gz UTFJYUCWLUEGCR-OLZOCXBDSA-N -1 1 302.374 2.851 20 0 DFADMM CCc1c(-c2cccc(OC)c2)[n-]n(Cc2cccnc2)c1=O ZINC000634592119 430046880 /nfs/dbraw/zinc/04/68/80/430046880.db2.gz YPTHYAQUOPHGJB-MRXNPFEDSA-N -1 1 309.369 2.863 20 0 DFADMM O=C(Nc1ccncc1[O-])c1ccc(Oc2ccccc2)cn1 ZINC000559775031 430013375 /nfs/dbraw/zinc/01/33/75/430013375.db2.gz BRJDXGQSHMQJJU-UHFFFAOYSA-N -1 1 307.309 2.649 20 0 DFADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1cccnc1C(F)(F)F ZINC000530209818 430104413 /nfs/dbraw/zinc/10/44/13/430104413.db2.gz DQEIZTHUXQIEIC-MWLCHTKSSA-N -1 1 302.296 2.786 20 0 DFADMM COc1ccc(-c2[n-]n(CCc3ccccn3)c(=O)c2C)cc1 ZINC000634614709 430053445 /nfs/dbraw/zinc/05/34/45/430053445.db2.gz KZKQDQDWIDVUOG-CYBMUJFWSA-N -1 1 309.369 2.515 20 0 DFADMM C[C@H](CCc1ccc2c(c1)OCO2)n1[n-]c2c(c1=O)CCC2 ZINC000634627241 430057756 /nfs/dbraw/zinc/05/77/56/430057756.db2.gz YIBCVBUHWAQTFV-YPMHNXCESA-N -1 1 300.358 2.735 20 0 DFADMM CCc1c(C)[n-]n([C@H](C)CCc2ccc3c(c2)OCO3)c1=O ZINC000634627134 430057846 /nfs/dbraw/zinc/05/78/46/430057846.db2.gz VZNBGBAZROBQKK-RISCZKNCSA-N -1 1 302.374 2.981 20 0 DFADMM CCc1c(=O)n([C@@H]2CCSC2)[n-]c1-c1cccc(OC)c1 ZINC000634628005 430058047 /nfs/dbraw/zinc/05/80/47/430058047.db2.gz PEFRZNLAUBVHOX-TZMCWYRMSA-N -1 1 304.415 2.773 20 0 DFADMM CC(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000561106215 430077050 /nfs/dbraw/zinc/07/70/50/430077050.db2.gz MQCBCBWYPHDLAT-BETUJISGSA-N -1 1 309.387 2.667 20 0 DFADMM Cc1onc(CN2CCC3(CCSCC3)CC2)c1C(=O)[O-] ZINC000634696071 430080299 /nfs/dbraw/zinc/08/02/99/430080299.db2.gz IRBRQLOPIMJCDB-UHFFFAOYSA-N -1 1 310.419 2.790 20 0 DFADMM CC(C)[C@H](C)N1Cc2cccc(NC(=O)[C@H]3C[C@H]3C(=O)[O-])c2C1 ZINC000634821404 430123927 /nfs/dbraw/zinc/12/39/27/430123927.db2.gz WVWLAPMISNZSAT-FPMFFAJLSA-N -1 1 316.401 2.706 20 0 DFADMM CCCN(CC(=O)Nc1ccccc1C)[C@H](C(=O)[O-])C1CC1 ZINC000635015898 430198900 /nfs/dbraw/zinc/19/89/00/430198900.db2.gz TWECMBVWLFXMBU-INIZCTEOSA-N -1 1 304.390 2.509 20 0 DFADMM C[C@@H](NC(=O)CCCc1nn[n-]n1)c1cccc2ccccc21 ZINC000635115337 430211994 /nfs/dbraw/zinc/21/19/94/430211994.db2.gz NOMSQECELSKYIY-GFCCVEGCSA-N -1 1 309.373 2.553 20 0 DFADMM CC(C)Oc1cccc([C@H](C)NCc2cc(C(=O)[O-])nn2C)c1 ZINC000635305536 430251188 /nfs/dbraw/zinc/25/11/88/430251188.db2.gz PPEGYZGORGWZQQ-LBPRGKRZSA-N -1 1 317.389 2.756 20 0 DFADMM C[C@@H](NCc1cc(C(=O)[O-])nn1C)c1ccc(F)c(Cl)c1 ZINC000635306094 430251458 /nfs/dbraw/zinc/25/14/58/430251458.db2.gz OVDBISKNACBTFH-MRVPVSSYSA-N -1 1 311.744 2.762 20 0 DFADMM CCCCO[C@@H]1C[C@H](N(C)Cc2oncc2C(=O)[O-])C1(C)C ZINC000566360772 430252909 /nfs/dbraw/zinc/25/29/09/430252909.db2.gz AXLMOMZDXDRXFJ-UONOGXRCSA-N -1 1 310.394 2.788 20 0 DFADMM O=C(CCCc1nn[n-]n1)N1CCCCC[C@@H]1c1ccccc1 ZINC000635374906 430264367 /nfs/dbraw/zinc/26/43/67/430264367.db2.gz LGWUZRYBXPDGNM-OAHLLOKOSA-N -1 1 313.405 2.666 20 0 DFADMM C[C@H]1CCN(Cc2nc3ccc(F)cc3s2)C[C@@H]1C(=O)[O-] ZINC000582122618 430271107 /nfs/dbraw/zinc/27/11/07/430271107.db2.gz UDGGHZMCYPNDQV-ONGXEEELSA-N -1 1 308.378 2.978 20 0 DFADMM CC(C)CCOc1cccc(NC(=O)CCCc2nn[n-]n2)c1 ZINC000635425124 430276969 /nfs/dbraw/zinc/27/69/69/430276969.db2.gz IVJBAHZYAIFBDO-UHFFFAOYSA-N -1 1 317.393 2.586 20 0 DFADMM O=C([O-])c1ccc(CN2CCC[C@H](OCC3CC3)C2)c(F)c1 ZINC000567173399 430278158 /nfs/dbraw/zinc/27/81/58/430278158.db2.gz YPWLZNWAOIEZHK-HNNXBMFYSA-N -1 1 307.365 2.915 20 0 DFADMM CSc1nc(CNC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)cc(=O)[n-]1 ZINC000640654287 430226716 /nfs/dbraw/zinc/22/67/16/430226716.db2.gz QBCJKKAUTWKKJJ-IMRBUKKESA-N -1 1 321.446 2.737 20 0 DFADMM CSc1nc(CNC(=O)c2cc(C(C)C)oc2C)cc(=O)[n-]1 ZINC000640656390 430227149 /nfs/dbraw/zinc/22/71/49/430227149.db2.gz ZCUVQUZLAQYVHC-UHFFFAOYSA-N -1 1 321.402 2.859 20 0 DFADMM CCc1cc(C(=O)NCc2cc(=O)[n-]c(SC)n2)oc1CC ZINC000640655884 430227385 /nfs/dbraw/zinc/22/73/85/430227385.db2.gz LLTSIODGPINGHW-UHFFFAOYSA-N -1 1 321.402 2.552 20 0 DFADMM CCC[C@@H]1CCC[C@H]1C(=O)NCc1cc(=O)[n-]c(SC)n1 ZINC000640655930 430227510 /nfs/dbraw/zinc/22/75/10/430227510.db2.gz SJKGCFVLUFIWAN-ZYHUDNBSSA-N -1 1 309.435 2.737 20 0 DFADMM CSc1nc(CNC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)cc(=O)[n-]1 ZINC000640656865 430227632 /nfs/dbraw/zinc/22/76/32/430227632.db2.gz WDBVIRSQDDFJNO-URLYPYJESA-N -1 1 309.435 2.593 20 0 DFADMM CSc1nc(CNC(=O)[C@H](C)c2cccc(C)c2)cc(=O)[n-]1 ZINC000640657510 430229143 /nfs/dbraw/zinc/22/91/43/430229143.db2.gz GGDCRGZPOLHNSX-LLVKDONJSA-N -1 1 317.414 2.632 20 0 DFADMM Cc1nnsc1CN(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000581829650 430241310 /nfs/dbraw/zinc/24/13/10/430241310.db2.gz FQBZVXXIQIFXAX-LLVKDONJSA-N -1 1 305.403 2.569 20 0 DFADMM CCCCCNC(=O)[C@H](C)Sc1nc(CC)c(C)c(=O)[n-]1 ZINC000582431858 430300421 /nfs/dbraw/zinc/30/04/21/430300421.db2.gz SXWSUVQQNDKZDY-NSHDSACASA-N -1 1 311.451 2.840 20 0 DFADMM Cc1oc(CN(C)CCOc2ccccc2F)cc1C(=O)[O-] ZINC000582671930 430323715 /nfs/dbraw/zinc/32/37/15/430323715.db2.gz YIDRNGQZXNKLLY-UHFFFAOYSA-N -1 1 307.321 2.936 20 0 DFADMM C[C@@H]1[C@@H](C)N(C(=O)c2cccc(C(F)(F)F)c2[O-])CCN1C ZINC000568207518 430332569 /nfs/dbraw/zinc/33/25/69/430332569.db2.gz IUUJFXXSNWFKKQ-NXEZZACHSA-N -1 1 316.323 2.576 20 0 DFADMM O=C([O-])[C@H](C1CC1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000582790890 430333379 /nfs/dbraw/zinc/33/33/79/430333379.db2.gz KCBDWOMCNYRWJS-KBPBESRZSA-N -1 1 313.756 2.716 20 0 DFADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cccc2ccsc21 ZINC000545940694 430335482 /nfs/dbraw/zinc/33/54/82/430335482.db2.gz FXDQLIUTMHNJGV-UHFFFAOYSA-N -1 1 313.386 2.614 20 0 DFADMM C[C@H]1CCN(Cc2nc3ccc(Cl)cc3n2C)C[C@@H]1C(=O)[O-] ZINC000569004179 430413521 /nfs/dbraw/zinc/41/35/21/430413521.db2.gz YEGQTFYKAQQWSN-JQWIXIFHSA-N -1 1 321.808 2.769 20 0 DFADMM Cc1cnc(SCc2ccn(CC(F)(F)F)n2)[n-]c1=O ZINC000582975208 430351957 /nfs/dbraw/zinc/35/19/57/430351957.db2.gz FNUWZKOAXIZDFI-UHFFFAOYSA-N -1 1 304.297 2.542 20 0 DFADMM O=C([O-])[C@]1(c2ccccc2)CCN(Cc2nccn2C(F)F)C1 ZINC000568402466 430357136 /nfs/dbraw/zinc/35/71/36/430357136.db2.gz JMPYGICUABVKOV-MRXNPFEDSA-N -1 1 321.327 2.507 20 0 DFADMM CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000583087392 430363292 /nfs/dbraw/zinc/36/32/92/430363292.db2.gz TWNQRLXMBXOJES-LLVKDONJSA-N -1 1 323.343 2.836 20 0 DFADMM CSc1ccc(S(=O)(=O)[N-]c2cnc[nH]2)cc1Cl ZINC000583235605 430376746 /nfs/dbraw/zinc/37/67/46/430376746.db2.gz FWAOJOZMGMYTRC-UHFFFAOYSA-N -1 1 303.796 2.586 20 0 DFADMM C[C@H]1CCN(Cc2cc(-c3ccccc3)on2)C[C@H]1C(=O)[O-] ZINC000583266704 430379130 /nfs/dbraw/zinc/37/91/30/430379130.db2.gz TYNXEXFRGWJWNG-SWLSCSKDSA-N -1 1 300.358 2.884 20 0 DFADMM Cn1cncc1CCCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000568883888 430401661 /nfs/dbraw/zinc/40/16/61/430401661.db2.gz XOJJMZBXOIPIPD-UHFFFAOYSA-N -1 1 318.324 2.659 20 0 DFADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)C(CC)CC)n[n-]1 ZINC000548067778 430443542 /nfs/dbraw/zinc/44/35/42/430443542.db2.gz UBKCSBLKUMLJDB-LBPRGKRZSA-N -1 1 324.425 2.621 20 0 DFADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)C(CC)CC)[n-]1 ZINC000548067778 430443547 /nfs/dbraw/zinc/44/35/47/430443547.db2.gz UBKCSBLKUMLJDB-LBPRGKRZSA-N -1 1 324.425 2.621 20 0 DFADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)C(CC)CC)n1 ZINC000548067778 430443550 /nfs/dbraw/zinc/44/35/50/430443550.db2.gz UBKCSBLKUMLJDB-LBPRGKRZSA-N -1 1 324.425 2.621 20 0 DFADMM COCC1(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)CC1 ZINC000641685857 430443808 /nfs/dbraw/zinc/44/38/08/430443808.db2.gz OJLNFPUYEKFBNJ-UHFFFAOYSA-N -1 1 316.398 2.567 20 0 DFADMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(F)F ZINC000641704939 430447916 /nfs/dbraw/zinc/44/79/16/430447916.db2.gz JAVHVPCPZXHKCL-YFKPBYRVSA-N -1 1 304.145 2.925 20 0 DFADMM CC(C)c1cccc(NC(=O)CN2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000569575782 430466344 /nfs/dbraw/zinc/46/63/44/430466344.db2.gz RKSDQNZDIXFLNI-CZUORRHYSA-N -1 1 318.417 2.791 20 0 DFADMM COc1cccc(CCNC(=O)c2c([O-])cccc2F)c1OC ZINC000548450281 430477302 /nfs/dbraw/zinc/47/73/02/430477302.db2.gz JIRNPTVMIDMQJO-UHFFFAOYSA-N -1 1 319.332 2.521 20 0 DFADMM CCCC(=O)NC1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000642589914 430520527 /nfs/dbraw/zinc/52/05/27/430520527.db2.gz KZKIAWHSZHYCRZ-UHFFFAOYSA-N -1 1 324.808 2.567 20 0 DFADMM CCc1noc(C)c1C(=O)[N-]c1nnc([C@H]2CCCO2)s1 ZINC000636350471 430520708 /nfs/dbraw/zinc/52/07/08/430520708.db2.gz IDWQBNCVCMTEMI-SECBINFHSA-N -1 1 308.363 2.501 20 0 DFADMM CCc1noc(C)c1C(=O)[N-]c1nnc([C@@H]2CCCO2)s1 ZINC000636350472 430520749 /nfs/dbraw/zinc/52/07/49/430520749.db2.gz IDWQBNCVCMTEMI-VIFPVBQESA-N -1 1 308.363 2.501 20 0 DFADMM CC(C)(C)c1cc(C(=O)[N-]c2nnc([C@@H]3CCCO3)s2)no1 ZINC000636356005 430522542 /nfs/dbraw/zinc/52/25/42/430522542.db2.gz SFTIQWGLINHXQZ-VIFPVBQESA-N -1 1 322.390 2.927 20 0 DFADMM CCc1nc(C(=O)[N-]c2nnc([C@@H]3CCCO3)s2)c(C)o1 ZINC000636356998 430523560 /nfs/dbraw/zinc/52/35/60/430523560.db2.gz JTDCSCQENJIBBR-QMMMGPOBSA-N -1 1 308.363 2.501 20 0 DFADMM O=C(c1ccc([O-])c(F)c1)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000642966345 430540109 /nfs/dbraw/zinc/54/01/09/430540109.db2.gz CLDAZOXMYYCNDY-CABCVRRESA-N -1 1 305.349 2.705 20 0 DFADMM C[C@H](c1ccc(C(=O)[O-])o1)[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000570649591 430563532 /nfs/dbraw/zinc/56/35/32/430563532.db2.gz LMTPPPCEKDEUGC-WXHSDQCUSA-N -1 1 321.398 2.808 20 0 DFADMM Cc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c2c1CCC2 ZINC000570666530 430564303 /nfs/dbraw/zinc/56/43/03/430564303.db2.gz GVBCFCDMGIADIC-UHFFFAOYSA-N -1 1 310.279 2.873 20 0 DFADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)[C@@]12C[C@@H]1CCC2 ZINC000570673178 430564791 /nfs/dbraw/zinc/56/47/91/430564791.db2.gz AHLCRPZMYITINY-VFZGTOFNSA-N -1 1 318.764 2.959 20 0 DFADMM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)[C@@]12C[C@@H]1CCC2 ZINC000570673178 430564794 /nfs/dbraw/zinc/56/47/94/430564794.db2.gz AHLCRPZMYITINY-VFZGTOFNSA-N -1 1 318.764 2.959 20 0 DFADMM C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000551893341 430569008 /nfs/dbraw/zinc/56/90/08/430569008.db2.gz IBRMJFZDSAUNRE-IINYFYTJSA-N -1 1 313.357 2.726 20 0 DFADMM O=C(Nc1c([O-])cc(Br)cc1Cl)[C@H]1CCCO1 ZINC000552206462 430589736 /nfs/dbraw/zinc/58/97/36/430589736.db2.gz VRINSJSQXOZELM-SECBINFHSA-N -1 1 320.570 2.926 20 0 DFADMM C[C@H](CC(=O)[O-])N(C)Cc1ccc(F)cc1Br ZINC000570986946 430594585 /nfs/dbraw/zinc/59/45/85/430594585.db2.gz SKDFXYSKOGQMFC-MRVPVSSYSA-N -1 1 304.159 2.883 20 0 DFADMM CCC[N@H+](CC(=O)N1CCC(C(=O)[O-])CC1)CC1CCCCC1 ZINC000643054329 430546105 /nfs/dbraw/zinc/54/61/05/430546105.db2.gz KDHNEJRLZLGLLT-UHFFFAOYSA-N -1 1 324.465 2.602 20 0 DFADMM CCCn1c2ccccc2nc1CN1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000571921084 430661602 /nfs/dbraw/zinc/66/16/02/430661602.db2.gz ZFEWCLLJAQLXJM-KGLIPLIRSA-N -1 1 315.417 2.989 20 0 DFADMM CCC[C@@H](C)C(=O)N[C@H](CC(C)C)c1n[n-]c(C(=O)OCC)n1 ZINC000571584178 430639796 /nfs/dbraw/zinc/63/97/96/430639796.db2.gz NWEOWPGIBWHGOJ-VXGBXAGGSA-N -1 1 324.425 2.621 20 0 DFADMM CCC[C@@H](C)C(=O)N[C@H](CC(C)C)c1nnc(C(=O)OCC)[n-]1 ZINC000571584178 430639800 /nfs/dbraw/zinc/63/98/00/430639800.db2.gz NWEOWPGIBWHGOJ-VXGBXAGGSA-N -1 1 324.425 2.621 20 0 DFADMM CCC[C@@H](C)C(=O)N[C@H](CC(C)C)c1nc(C(=O)OCC)n[n-]1 ZINC000571584178 430639802 /nfs/dbraw/zinc/63/98/02/430639802.db2.gz NWEOWPGIBWHGOJ-VXGBXAGGSA-N -1 1 324.425 2.621 20 0 DFADMM Cn1c2ccccc2nc1CN1CCC(CCC(=O)[O-])CC1 ZINC000571691379 430645705 /nfs/dbraw/zinc/64/57/05/430645705.db2.gz SELSWFLVIFCIFS-UHFFFAOYSA-N -1 1 301.390 2.650 20 0 DFADMM CC(C)(C(=O)[O-])C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000572121557 430672074 /nfs/dbraw/zinc/67/20/74/430672074.db2.gz 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COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000681049718 545588491 /nfs/dbraw/zinc/58/84/91/545588491.db2.gz QZGCTHXZPFEOFM-AEFFLSMTSA-N -1 1 315.344 3.000 20 0 DFADMM CCn1ncc2c1CCC[C@H]2NC(=O)c1ccc([O-])c(F)c1 ZINC000681052082 545588610 /nfs/dbraw/zinc/58/86/10/545588610.db2.gz NXCLNNBRPHWVQN-CYBMUJFWSA-N -1 1 303.337 2.555 20 0 DFADMM COc1cccc2c1CC[C@@H]2NC(=O)c1ccc([O-])c(F)c1 ZINC000681055271 545589998 /nfs/dbraw/zinc/58/99/98/545589998.db2.gz CHECUORIPAMWFC-AWEZNQCLSA-N -1 1 301.317 2.957 20 0 DFADMM COc1cccc(S(=O)(=O)[N-]c2ccc(F)c(OC)c2)c1 ZINC000681967490 545762434 /nfs/dbraw/zinc/76/24/34/545762434.db2.gz GTMWAWIGTWCKPB-UHFFFAOYSA-N -1 1 311.334 2.644 20 0 DFADMM CO[C@@]1(C(F)(F)F)CCCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000682016708 545775602 /nfs/dbraw/zinc/77/56/02/545775602.db2.gz JYXUKOBSYKWUEI-ZDUSSCGKSA-N -1 1 321.270 2.715 20 0 DFADMM COc1nnc([N-]C(=O)c2csc(-c3ccc(C)o3)n2)s1 ZINC000682681320 545896504 /nfs/dbraw/zinc/89/65/04/545896504.db2.gz WYZJTJMKWZNAKI-UHFFFAOYSA-N -1 1 322.371 2.824 20 0 DFADMM CC(C)=CCNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000682886473 545936228 /nfs/dbraw/zinc/93/62/28/545936228.db2.gz FSLFKFOHLXUCFC-UHFFFAOYSA-N -1 1 316.401 2.963 20 0 DFADMM COc1ccc([C@H](CC(=O)[O-])NCc2cnn(C(C)C)c2)cc1 ZINC000683170939 545983845 /nfs/dbraw/zinc/98/38/45/545983845.db2.gz CEICTTOIBPZCQY-INIZCTEOSA-N -1 1 317.389 2.778 20 0 DFADMM O=C(N[C@H]1CCc2cc(O)ccc2C1)c1ccc([O-])c(F)c1 ZINC000683504761 546046621 /nfs/dbraw/zinc/04/66/21/546046621.db2.gz IZUMKHPSBWVZRG-ZDUSSCGKSA-N -1 1 301.317 2.524 20 0 DFADMM CC(C)(C)c1n[n-]c(S(=O)(=O)[C@@H]2CCc3ccccc32)n1 ZINC000683730947 546082600 /nfs/dbraw/zinc/08/26/00/546082600.db2.gz ZKORBCUVFRVNLN-GFCCVEGCSA-N -1 1 305.403 2.563 20 0 DFADMM CC(C)(C)c1nc(S(=O)(=O)[C@@H]2CCc3ccccc32)n[n-]1 ZINC000683730947 546082604 /nfs/dbraw/zinc/08/26/04/546082604.db2.gz ZKORBCUVFRVNLN-GFCCVEGCSA-N -1 1 305.403 2.563 20 0 DFADMM C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2C(=O)c2ncccc2[O-])C1 ZINC000684860546 546294086 /nfs/dbraw/zinc/29/40/86/546294086.db2.gz FDJNNDRWRJCTFL-KBXIAJHMSA-N -1 1 318.417 2.579 20 0 DFADMM COC[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000684874718 546296266 /nfs/dbraw/zinc/29/62/66/546296266.db2.gz WNHKOTSUMXKFDP-JTQLQIEISA-N -1 1 317.307 2.910 20 0 DFADMM O=C(c1c(F)ccc([O-])c1F)N1CCC[C@H](OC(F)F)C1 ZINC000685463395 546355473 /nfs/dbraw/zinc/35/54/73/546355473.db2.gz RXLLRCYOVDHZGI-ZETCQYMHSA-N -1 1 307.243 2.514 20 0 DFADMM O=C(NCC1(c2ccccn2)CC1)c1c(F)ccc([O-])c1F ZINC000685465230 546356220 /nfs/dbraw/zinc/35/62/20/546356220.db2.gz KGIDJDZKSNSLND-UHFFFAOYSA-N -1 1 304.296 2.527 20 0 DFADMM O=C([O-])C[C@H]1CCCN(Cn2ccc(-c3cccs3)n2)C1 ZINC000819385189 597043414 /nfs/dbraw/zinc/04/34/14/597043414.db2.gz BGJOETSEAYSXOR-GFCCVEGCSA-N -1 1 305.403 2.756 20 0 DFADMM Cc1ccc(-c2nnc(CN3CCC[C@@H](CC(=O)[O-])C3)o2)cc1 ZINC000320453091 597078522 /nfs/dbraw/zinc/07/85/22/597078522.db2.gz JZXJDJMGQBESAU-ZDUSSCGKSA-N -1 1 315.373 2.732 20 0 DFADMM O=C([O-])c1ccc(CNCc2c(Cl)nc3ccccn32)cc1 ZINC000819676111 597135648 /nfs/dbraw/zinc/13/56/48/597135648.db2.gz UPRJSTKFQJPAJR-UHFFFAOYSA-N -1 1 315.760 2.976 20 0 DFADMM Brc1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000819688326 607307541 /nfs/dbraw/zinc/30/75/41/607307541.db2.gz GTFSFMNQBHBGMB-UHFFFAOYSA-N -1 1 320.150 2.834 20 0 DFADMM Brc1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000819688326 607307542 /nfs/dbraw/zinc/30/75/42/607307542.db2.gz GTFSFMNQBHBGMB-UHFFFAOYSA-N -1 1 320.150 2.834 20 0 DFADMM Cc1cc(N2CCCC2)ccc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000822207447 607308202 /nfs/dbraw/zinc/30/82/02/607308202.db2.gz WQWJWEIOKNUNOH-UHFFFAOYSA-N -1 1 324.388 2.980 20 0 DFADMM CC1(C)Oc2ccc(NCc3ccc(-c4nnn[n-]4)o3)cc2O1 ZINC000820607549 607312169 /nfs/dbraw/zinc/31/21/69/607312169.db2.gz VJIVHIYZPKIRJU-UHFFFAOYSA-N -1 1 313.317 2.579 20 0 DFADMM CC1(C)Oc2ccc(NCc3ccc(-c4nn[n-]n4)o3)cc2O1 ZINC000820607549 607312170 /nfs/dbraw/zinc/31/21/70/607312170.db2.gz VJIVHIYZPKIRJU-UHFFFAOYSA-N -1 1 313.317 2.579 20 0 DFADMM Fc1ccc(Sc2nccnc2-c2nn[n-]n2)cc1Cl ZINC000737656394 598338252 /nfs/dbraw/zinc/33/82/52/598338252.db2.gz MASPLKOWXAWSMA-UHFFFAOYSA-N -1 1 308.729 2.600 20 0 DFADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)c1ccc2c(c1)CCCC2 ZINC000736136623 598385191 /nfs/dbraw/zinc/38/51/91/598385191.db2.gz IKBYJMMCJVXHGR-NSHDSACASA-N -1 1 321.388 2.709 20 0 DFADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)c1ccc2c(c1)CCCC2 ZINC000736136623 598385193 /nfs/dbraw/zinc/38/51/93/598385193.db2.gz IKBYJMMCJVXHGR-NSHDSACASA-N -1 1 321.388 2.709 20 0 DFADMM C[C@H]1CCC[C@H](N(C)c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000736247156 598573125 /nfs/dbraw/zinc/57/31/25/598573125.db2.gz AOGJQPGLTMYSCS-UWVGGRQHSA-N -1 1 306.801 2.930 20 0 DFADMM C[C@H]1CCC[C@H](N(C)c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000736247156 598573127 /nfs/dbraw/zinc/57/31/27/598573127.db2.gz AOGJQPGLTMYSCS-UWVGGRQHSA-N -1 1 306.801 2.930 20 0 DFADMM Cc1nc([C@H](C)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cs1 ZINC000737469747 598580085 /nfs/dbraw/zinc/58/00/85/598580085.db2.gz CCXSVCIERQXMFW-LURJTMIESA-N -1 1 321.797 2.853 20 0 DFADMM Cc1nc([C@H](C)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cs1 ZINC000737469747 598580086 /nfs/dbraw/zinc/58/00/86/598580086.db2.gz CCXSVCIERQXMFW-LURJTMIESA-N -1 1 321.797 2.853 20 0 DFADMM C[C@@H](N(C)c1snc(Cl)c1-c1nnn[n-]1)C(C)(C)C ZINC000736095246 598813728 /nfs/dbraw/zinc/81/37/28/598813728.db2.gz DCEPYVXTLDCMKA-ZCFIWIBFSA-N -1 1 300.819 2.847 20 0 DFADMM C[C@@H](N(C)c1snc(Cl)c1-c1nn[n-]n1)C(C)(C)C ZINC000736095246 598813729 /nfs/dbraw/zinc/81/37/29/598813729.db2.gz DCEPYVXTLDCMKA-ZCFIWIBFSA-N -1 1 300.819 2.847 20 0 DFADMM COc1ccc(CC[C@H](C)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000737089062 599419110 /nfs/dbraw/zinc/41/91/10/599419110.db2.gz UCVJBDZESHELDT-LBPRGKRZSA-N -1 1 324.388 2.704 20 0 DFADMM COc1ccc(CC[C@H](C)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000737089062 599419111 /nfs/dbraw/zinc/41/91/11/599419111.db2.gz UCVJBDZESHELDT-LBPRGKRZSA-N -1 1 324.388 2.704 20 0 DFADMM Cc1ccc(C[C@@H](C)Nc2cccc(-c3nnn[n-]3)n2)c(C)c1 ZINC000737333511 599434907 /nfs/dbraw/zinc/43/49/07/599434907.db2.gz CBBMFUDHMGGAMO-CYBMUJFWSA-N -1 1 308.389 2.922 20 0 DFADMM Cc1ccc(C[C@@H](C)Nc2cccc(-c3nn[n-]n3)n2)c(C)c1 ZINC000737333511 599434910 /nfs/dbraw/zinc/43/49/10/599434910.db2.gz CBBMFUDHMGGAMO-CYBMUJFWSA-N -1 1 308.389 2.922 20 0 DFADMM Cc1ccc(C[C@@H](C)Nc2cccc(-c3nnn[n-]3)n2)s1 ZINC000737334892 599529361 /nfs/dbraw/zinc/52/93/61/599529361.db2.gz OBGZREPCDCOFFY-SECBINFHSA-N -1 1 300.391 2.675 20 0 DFADMM Cc1ccc(C[C@@H](C)Nc2cccc(-c3nn[n-]n3)n2)s1 ZINC000737334892 599529362 /nfs/dbraw/zinc/52/93/62/599529362.db2.gz OBGZREPCDCOFFY-SECBINFHSA-N -1 1 300.391 2.675 20 0 DFADMM CSCCCCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821962014 599564363 /nfs/dbraw/zinc/56/43/63/599564363.db2.gz NMPJXLDFROLRRA-UHFFFAOYSA-N -1 1 314.418 2.970 20 0 DFADMM CSCCCCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821962014 599564365 /nfs/dbraw/zinc/56/43/65/599564365.db2.gz NMPJXLDFROLRRA-UHFFFAOYSA-N -1 1 314.418 2.970 20 0 DFADMM CN(Cc1ccc(C(=O)[O-])o1)C[C@@H]1OCCc2ccccc21 ZINC000737470516 599719195 /nfs/dbraw/zinc/71/91/95/599719195.db2.gz GCTNFUYGZSBAKT-INIZCTEOSA-N -1 1 301.342 2.724 20 0 DFADMM COc1ccc([C@H](NCc2cc(F)ccc2OC)C(=O)[O-])cc1 ZINC000737969200 599861884 /nfs/dbraw/zinc/86/18/84/599861884.db2.gz JGQQCZZQXQHJQG-INIZCTEOSA-N -1 1 319.332 2.758 20 0 DFADMM CC(C)Cc1ccc([C@H](C)NC(=O)CNC(C)(C)C(=O)[O-])cc1 ZINC000736454166 599924778 /nfs/dbraw/zinc/92/47/78/599924778.db2.gz RGNYFWDZCLKILM-ZDUSSCGKSA-N -1 1 320.433 2.515 20 0 DFADMM C[C@@H](c1nnc(-c2ccccc2)o1)N1CCC(C(=O)[O-])CC1 ZINC000736727062 599966419 /nfs/dbraw/zinc/96/64/19/599966419.db2.gz BBWQAHZUGPBEMJ-NSHDSACASA-N -1 1 301.346 2.594 20 0 DFADMM Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@@H](C(=O)[O-])C(C)C ZINC000738228371 600029761 /nfs/dbraw/zinc/02/97/61/600029761.db2.gz SVOPAJNQTCXZOR-CYBMUJFWSA-N -1 1 302.330 2.651 20 0 DFADMM O=C([O-])C[C@@H]1CCCCN1CC(=O)c1c[nH]c2ccccc12 ZINC000739637133 600088552 /nfs/dbraw/zinc/08/85/52/600088552.db2.gz YBTSZBXTPGVAFJ-LBPRGKRZSA-N -1 1 300.358 2.680 20 0 DFADMM O=C([O-])c1ccc(NC(=O)CN2CCCc3ccccc3C2)cc1 ZINC000739290011 600094521 /nfs/dbraw/zinc/09/45/21/600094521.db2.gz MWUDHADJWOAWKI-UHFFFAOYSA-N -1 1 324.380 2.772 20 0 DFADMM CCC[C@@](C)(NCC(=O)N(C)[C@@H](C)c1ccc(F)cc1)C(=O)[O-] ZINC000736959570 600153001 /nfs/dbraw/zinc/15/30/01/600153001.db2.gz GVQDZBCEAGHJFM-YVEFUNNKSA-N -1 1 324.396 2.578 20 0 DFADMM CC(C)[C@H]1CCCCN1CC(=O)Nc1ccsc1C(=O)[O-] ZINC000736396881 600319912 /nfs/dbraw/zinc/31/99/12/600319912.db2.gz YNRGLKDMGZUVMS-GFCCVEGCSA-N -1 1 310.419 2.895 20 0 DFADMM CCCN1CCC[C@H]1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000737029913 600487784 /nfs/dbraw/zinc/48/77/84/600487784.db2.gz HEPAIULQWMKFHJ-ZDUSSCGKSA-N -1 1 310.781 2.851 20 0 DFADMM CCc1cc(CNC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)[nH]n1 ZINC000737253988 600512716 /nfs/dbraw/zinc/51/27/16/600512716.db2.gz MTIAOBNUZXAJIP-UHFFFAOYSA-N -1 1 321.312 2.523 20 0 DFADMM CC(C)[C@H](C(=O)OCc1ccoc1C(=O)[O-])N1CCCCC1 ZINC000736349517 600735201 /nfs/dbraw/zinc/73/52/01/600735201.db2.gz NETOIISVOOVTTN-CYBMUJFWSA-N -1 1 309.362 2.532 20 0 DFADMM CCCN(C)CC(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000737007391 600787380 /nfs/dbraw/zinc/78/73/80/600787380.db2.gz GVUHRKCSCVCSDI-UHFFFAOYSA-N -1 1 300.358 2.818 20 0 DFADMM CCC[C@]1(C)CCCN(CC(=O)N[C@H](C(=O)[O-])[C@H](C)CC)C1 ZINC000829238034 600861280 /nfs/dbraw/zinc/86/12/80/600861280.db2.gz JJEQJVGBECDQOC-UKPHBRMFSA-N -1 1 312.454 2.504 20 0 DFADMM CC(C)CSCCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000824275527 607905378 /nfs/dbraw/zinc/90/53/78/607905378.db2.gz VSRXDFSHSCOIQR-UHFFFAOYSA-N -1 1 312.830 2.716 20 0 DFADMM CC(C)CSCCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000824275527 607905379 /nfs/dbraw/zinc/90/53/79/607905379.db2.gz VSRXDFSHSCOIQR-UHFFFAOYSA-N -1 1 312.830 2.716 20 0 DFADMM CN(CCOc1cccc(C(=O)[O-])c1)Cc1ccc(Cl)nc1 ZINC000830792005 601006012 /nfs/dbraw/zinc/00/60/12/601006012.db2.gz LSFZTRUPLVYOGP-UHFFFAOYSA-N -1 1 320.776 2.944 20 0 DFADMM COC[C@](C)(CC(=O)[O-])NCc1nc(-c2ccccc2)oc1C ZINC000831586297 601136660 /nfs/dbraw/zinc/13/66/60/601136660.db2.gz UWAVSXIGSXWVQZ-KRWDZBQOSA-N -1 1 318.373 2.619 20 0 DFADMM Cc1cc(COC(=O)c2cccc3[nH]ncc32)oc1C(=O)[O-] ZINC000832885074 601303713 /nfs/dbraw/zinc/30/37/13/601303713.db2.gz ILJGZWPYXDCUPM-UHFFFAOYSA-N -1 1 300.270 2.520 20 0 DFADMM CC(C)CCCCCC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000826849033 601373012 /nfs/dbraw/zinc/37/30/12/601373012.db2.gz PSWIBLQHUPNAMQ-OAHLLOKOSA-N -1 1 312.454 2.600 20 0 DFADMM CN(Cc1ccc(C(=O)[O-])cc1)Cc1ccc([S@](C)=O)cc1 ZINC000820602083 601376589 /nfs/dbraw/zinc/37/65/89/601376589.db2.gz DCDNMDGRSLZADL-QFIPXVFZSA-N -1 1 317.410 2.754 20 0 DFADMM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@H](n2cc(C)cn2)C1 ZINC000830369306 601416710 /nfs/dbraw/zinc/41/67/10/601416710.db2.gz LZMYFQFLMJWCDW-CQSZACIVSA-N -1 1 317.389 2.882 20 0 DFADMM CCCCCCN(C)CC(=O)Nc1nc(C)c(C(=O)[O-])s1 ZINC000829356362 601435995 /nfs/dbraw/zinc/43/59/95/601435995.db2.gz BZEWAECFOCEEFN-UHFFFAOYSA-N -1 1 313.423 2.600 20 0 DFADMM CCc1oc(C(=O)[O-])cc1CN(C)[C@H](CO)c1ccccc1 ZINC000830355300 601447402 /nfs/dbraw/zinc/44/74/02/601447402.db2.gz HMKITXCKGIGOTA-CQSZACIVSA-N -1 1 303.358 2.706 20 0 DFADMM CCC1CCC(NCC(=O)Nc2cccc(C)c2)(C(=O)[O-])CC1 ZINC000829107228 601495521 /nfs/dbraw/zinc/49/55/21/601495521.db2.gz KIYLYPMUOCHVTP-UHFFFAOYSA-N -1 1 318.417 2.947 20 0 DFADMM CCC1CCC(NCC(=O)NCC2CCCCC2)(C(=O)[O-])CC1 ZINC000829101345 601495702 /nfs/dbraw/zinc/49/57/02/601495702.db2.gz NZGYZWRUAWHFCT-UHFFFAOYSA-N -1 1 324.465 2.696 20 0 DFADMM CCC1CCC(NCC(=O)N2CCCC[C@@H]2CC)(C(=O)[O-])CC1 ZINC000829101846 601495947 /nfs/dbraw/zinc/49/59/47/601495947.db2.gz YKRRTNBRKOTNCG-CSLYMUCUSA-N -1 1 324.465 2.791 20 0 DFADMM CCC1CCC(NCc2cc(C)c(C(=O)OC)o2)(C(=O)[O-])CC1 ZINC000829107205 601496182 /nfs/dbraw/zinc/49/61/82/601496182.db2.gz JYKWTOYYYPZIQK-UHFFFAOYSA-N -1 1 323.389 2.888 20 0 DFADMM C[C@@H]1CN(Cc2ccc(Br)c(F)c2)C[C@@H]1C(=O)[O-] ZINC000161953608 601504240 /nfs/dbraw/zinc/50/42/40/601504240.db2.gz SLPBGFPXHGDKOF-SCZZXKLOSA-N 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JFCFSJYGOCRSCV-UHFFFAOYSA-N -1 1 324.363 2.662 20 0 DFADMM Cc1ccc(F)c2c1CCCN2Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826289684 607520008 /nfs/dbraw/zinc/52/00/08/607520008.db2.gz JFCFSJYGOCRSCV-UHFFFAOYSA-N -1 1 324.363 2.662 20 0 DFADMM CC[C@H](C(=O)OCc1ccc(C(=O)[O-])c(F)c1)N(CC)CC ZINC000828603159 601730812 /nfs/dbraw/zinc/73/08/12/601730812.db2.gz DHWMMMXDEBPMPQ-CQSZACIVSA-N -1 1 311.353 2.688 20 0 DFADMM O=C([O-])c1sccc1CSc1nc(-c2cccnc2)n[nH]1 ZINC000833348853 601809963 /nfs/dbraw/zinc/80/99/63/601809963.db2.gz SCPGVKJKHSQMQJ-UHFFFAOYSA-N -1 1 318.383 2.919 20 0 DFADMM O=C([O-])CN(C(=O)c1cc(-c2ccccc2)[nH]n1)C1CCCC1 ZINC000319781927 601869854 /nfs/dbraw/zinc/86/98/54/601869854.db2.gz YPWHZFGXTUIPLS-UHFFFAOYSA-N -1 1 313.357 2.546 20 0 DFADMM O=C([O-])c1cc(F)ccc1COc1ccccc1-c1nnc[nH]1 ZINC000833298729 601933908 /nfs/dbraw/zinc/93/39/08/601933908.db2.gz CRBJQHBRIJONQR-UHFFFAOYSA-N -1 1 313.288 2.888 20 0 DFADMM CC(C)(C)C(=O)N[C@H]1CCCN(Cc2ccc(C(=O)[O-])s2)C1 ZINC000826130134 601951692 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C[C@@H](CC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)C1CCCCC1 ZINC000833513591 605111212 /nfs/dbraw/zinc/11/12/12/605111212.db2.gz IPAMZQLPHMQTEZ-LSDHHAIUSA-N -1 1 324.465 2.600 20 0 DFADMM C[C@@H]1CC[C@]2(CCN(CC(=O)Nc3ccc(C(=O)[O-])cc3)C2)C1 ZINC000833609242 605140938 /nfs/dbraw/zinc/14/09/38/605140938.db2.gz HAFUWALZBXYMNK-ACJLOTCBSA-N -1 1 316.401 2.835 20 0 DFADMM CC(C)CC1(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)CCCC1 ZINC000833481934 605157323 /nfs/dbraw/zinc/15/73/23/605157323.db2.gz XZGHNIRKLGEUIU-OAHLLOKOSA-N -1 1 324.465 2.600 20 0 DFADMM CCN1C[C@@H](C)N(C(=O)Nc2ccc(C)cc2C(=O)[O-])C[C@H]1C ZINC000833657147 605164428 /nfs/dbraw/zinc/16/44/28/605164428.db2.gz LKYDGZFUIWDYNY-CHWSQXEVSA-N -1 1 319.405 2.640 20 0 DFADMM CC1=C(C(=O)[O-])C[C@H](CN2CCc3c(Cl)cccc3C2)O1 ZINC000833576737 605339795 /nfs/dbraw/zinc/33/97/95/605339795.db2.gz DCEDEORMDXYUOG-GFCCVEGCSA-N -1 1 307.777 2.846 20 0 DFADMM C[C@H](O)[C@H]1CCCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000833525839 605384457 /nfs/dbraw/zinc/38/44/57/605384457.db2.gz FSSIZEOGIQJVJS-PKFCDNJMSA-N -1 1 315.772 2.698 20 0 DFADMM CC1=C(C(=O)[O-])C[C@@H](CN(C)Cc2cc(F)c(F)c(F)c2)O1 ZINC000833579592 605387441 /nfs/dbraw/zinc/38/74/41/605387441.db2.gz ZXTJPIRVWPONJC-JTQLQIEISA-N -1 1 315.291 2.683 20 0 DFADMM CC(C)(C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)c1cccnc1 ZINC000833412149 605403934 /nfs/dbraw/zinc/40/39/34/605403934.db2.gz ZJOXKWMQHFXXKD-UHFFFAOYSA-N -1 1 324.340 2.572 20 0 DFADMM O=C([O-])Nc1ccc(NC(=O)c2cccc(-c3nnc[nH]3)c2)cc1 ZINC000834262821 605430776 /nfs/dbraw/zinc/43/07/76/605430776.db2.gz VEWOOSURXPIJTQ-UHFFFAOYSA-N -1 1 323.312 2.814 20 0 DFADMM CC(C)(C)[C@H]1CCN(CC(=O)Nc2ccsc2C(=O)[O-])C1 ZINC000833427008 605432380 /nfs/dbraw/zinc/43/23/80/605432380.db2.gz XLMWYZUGMLFZOB-JTQLQIEISA-N -1 1 310.419 2.753 20 0 DFADMM CCCN(Cc1nnc(C(C)(C)C)o1)C1CCN(C(=O)[O-])CC1 ZINC000826916706 605476509 /nfs/dbraw/zinc/47/65/09/605476509.db2.gz QHLVKVGPQBAFFK-UHFFFAOYSA-N -1 1 324.425 2.722 20 0 DFADMM Cc1cccc(-c2noc(CNC3(CC(=O)[O-])CCC3)n2)c1 ZINC000833752504 605496866 /nfs/dbraw/zinc/49/68/66/605496866.db2.gz WMXXEGVKPNVOMB-UHFFFAOYSA-N -1 1 301.346 2.532 20 0 DFADMM O=C([O-])NC[C@H]1CCN(Cc2cnc(-c3cccs3)s2)C1 ZINC000834224674 605576013 /nfs/dbraw/zinc/57/60/13/605576013.db2.gz DHHDMIQEUNMGMJ-SNVBAGLBSA-N -1 1 323.443 2.961 20 0 DFADMM O=C([O-])N[C@@H](CN[C@@H](c1ccccc1)c1ccccn1)C1CC1 ZINC000834149965 605652005 /nfs/dbraw/zinc/65/20/05/605652005.db2.gz JWHGTLBOCRGHQR-IRXDYDNUSA-N -1 1 311.385 2.807 20 0 DFADMM CC(C)[C@@H](C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1)N(C)C ZINC000825416926 605669990 /nfs/dbraw/zinc/66/99/90/605669990.db2.gz NDMKENAERYJRJB-RISCZKNCSA-N -1 1 307.394 2.540 20 0 DFADMM O=C([O-])N[C@H]1C[C@H](N[C@@H]2c3ccccc3C[C@@H]2O)c2ccccc21 ZINC000834159210 605795608 /nfs/dbraw/zinc/79/56/08/605795608.db2.gz RESHXHBVDCXOBU-XLAORIBOSA-N -1 1 324.380 2.688 20 0 DFADMM O=C([O-])N[C@@H]1C[C@H](N[C@@H]2c3ccccc3C[C@H]2O)c2ccccc21 ZINC000834159987 605803241 /nfs/dbraw/zinc/80/32/41/605803241.db2.gz RESHXHBVDCXOBU-BSDSXHPESA-N -1 1 324.380 2.688 20 0 DFADMM O=C([O-])N1CCc2cc(NC(=O)c3ccc(F)cc3O)ccc21 ZINC000834052894 605829352 /nfs/dbraw/zinc/82/93/52/605829352.db2.gz LNYQLVFXKKRVOS-UHFFFAOYSA-N -1 1 316.288 2.824 20 0 DFADMM O=C([O-])Nc1ccc(NC(=O)c2ccc(O)c(Cl)c2)cn1 ZINC000834262405 605857443 /nfs/dbraw/zinc/85/74/43/605857443.db2.gz PJMUSVAZQMRALV-UHFFFAOYSA-N -1 1 307.693 2.783 20 0 DFADMM O=C([O-])N1CCC2(C[C@@H]2C(=O)Nc2cccc(Cl)c2O)CC1 ZINC000834053360 605927894 /nfs/dbraw/zinc/92/78/94/605927894.db2.gz LQTCXECDKULKCZ-SECBINFHSA-N -1 1 324.764 2.764 20 0 DFADMM CCn1c2ccccc2nc1[C@@H](C)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000833867766 605944907 /nfs/dbraw/zinc/94/49/07/605944907.db2.gz SMIOQIOLEYOQOH-CHWSQXEVSA-N -1 1 316.405 2.849 20 0 DFADMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2Cc1nc2c(s1)CCC2 ZINC000834161548 605995664 /nfs/dbraw/zinc/99/56/64/605995664.db2.gz ASSLKSQJVPTRSF-YOGCLGLASA-N -1 1 321.446 2.785 20 0 DFADMM C[C@H]1C[C@@H](CNC(=O)[O-])CN1Cc1cc(Cl)cc2c1OCC2 ZINC000833827758 606029924 /nfs/dbraw/zinc/02/99/24/606029924.db2.gz AEGDKOIAMPUPBB-QWRGUYRKSA-N -1 1 324.808 2.753 20 0 DFADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2nc3c(s2)CCCC3)C1 ZINC000833816312 606069852 /nfs/dbraw/zinc/06/98/52/606069852.db2.gz ZAYVGTWQBFDWTG-RYUDHWBXSA-N -1 1 323.462 2.890 20 0 DFADMM Cc1ccc(C)c(COC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822231777 606136489 /nfs/dbraw/zinc/13/64/89/606136489.db2.gz HDUQODJXXNAICZ-UHFFFAOYSA-N -1 1 314.370 2.902 20 0 DFADMM Cc1ccc(C)c(COC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822231777 606136491 /nfs/dbraw/zinc/13/64/91/606136491.db2.gz HDUQODJXXNAICZ-UHFFFAOYSA-N -1 1 314.370 2.902 20 0 DFADMM O=C(OCc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823430884 606138375 /nfs/dbraw/zinc/13/83/75/606138375.db2.gz LCMYNJHJLNJLMV-UHFFFAOYSA-N -1 1 320.761 2.939 20 0 DFADMM O=C(OCc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823430884 606138376 /nfs/dbraw/zinc/13/83/76/606138376.db2.gz LCMYNJHJLNJLMV-UHFFFAOYSA-N -1 1 320.761 2.939 20 0 DFADMM CC(C)n1ccnc1Sc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820214417 606443912 /nfs/dbraw/zinc/44/39/12/606443912.db2.gz AIRDPVUWHBDNCF-UHFFFAOYSA-N -1 1 321.797 2.844 20 0 DFADMM CC(C)n1ccnc1Sc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820214417 606443913 /nfs/dbraw/zinc/44/39/13/606443913.db2.gz AIRDPVUWHBDNCF-UHFFFAOYSA-N -1 1 321.797 2.844 20 0 DFADMM CC(C)C[C@@H]1CCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820068837 606462074 /nfs/dbraw/zinc/46/20/74/606462074.db2.gz UWLPRDRVTWMKBW-JTQLQIEISA-N -1 1 306.801 2.930 20 0 DFADMM CC(C)C[C@@H]1CCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820068837 606462076 /nfs/dbraw/zinc/46/20/76/606462076.db2.gz UWLPRDRVTWMKBW-JTQLQIEISA-N -1 1 306.801 2.930 20 0 DFADMM O=C(Oc1ccc2ccncc2c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823454370 606490988 /nfs/dbraw/zinc/49/09/88/606490988.db2.gz OUHWGKBBMWFSMS-UHFFFAOYSA-N -1 1 323.337 2.696 20 0 DFADMM O=C(Oc1ccc2ccncc2c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823454370 606490989 /nfs/dbraw/zinc/49/09/89/606490989.db2.gz OUHWGKBBMWFSMS-UHFFFAOYSA-N -1 1 323.337 2.696 20 0 DFADMM CCCCCN(C(=O)c1ccc(-c2nnn[n-]2)s1)C(C)C ZINC000821055862 606506629 /nfs/dbraw/zinc/50/66/29/606506629.db2.gz HZNHBGPUFNRHRB-UHFFFAOYSA-N -1 1 307.423 2.969 20 0 DFADMM CCCCCN(C(=O)c1ccc(-c2nn[n-]n2)s1)C(C)C ZINC000821055862 606506631 /nfs/dbraw/zinc/50/66/31/606506631.db2.gz HZNHBGPUFNRHRB-UHFFFAOYSA-N -1 1 307.423 2.969 20 0 DFADMM CCc1nc(NC(=O)c2ccc(-c3nnn[n-]3)s2)sc1C ZINC000821510024 606511660 /nfs/dbraw/zinc/51/16/60/606511660.db2.gz SPMUIWWNYNUMAT-UHFFFAOYSA-N -1 1 320.403 2.508 20 0 DFADMM CCc1nc(NC(=O)c2ccc(-c3nn[n-]n3)s2)sc1C ZINC000821510024 606511662 /nfs/dbraw/zinc/51/16/62/606511662.db2.gz SPMUIWWNYNUMAT-UHFFFAOYSA-N -1 1 320.403 2.508 20 0 DFADMM Cc1cc2cc(NC(=O)c3ccc(-c4nnn[n-]4)s3)ccc2[nH]1 ZINC000822212836 606524647 /nfs/dbraw/zinc/52/46/47/606524647.db2.gz JDGVZLWOZZQLLZ-UHFFFAOYSA-N -1 1 324.369 2.970 20 0 DFADMM Cc1cc2cc(NC(=O)c3ccc(-c4nn[n-]n4)s3)ccc2[nH]1 ZINC000822212836 606524648 /nfs/dbraw/zinc/52/46/48/606524648.db2.gz JDGVZLWOZZQLLZ-UHFFFAOYSA-N -1 1 324.369 2.970 20 0 DFADMM CCC[C@@]1(C)CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821027004 606579220 /nfs/dbraw/zinc/57/92/20/606579220.db2.gz JOWWTGMGRYRZPX-HNNXBMFYSA-N -1 1 319.434 2.971 20 0 DFADMM CCC[C@@]1(C)CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821027004 606579221 /nfs/dbraw/zinc/57/92/21/606579221.db2.gz JOWWTGMGRYRZPX-HNNXBMFYSA-N -1 1 319.434 2.971 20 0 DFADMM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820649222 606581988 /nfs/dbraw/zinc/58/19/88/606581988.db2.gz JYYQUAZOJPAPIG-UWVGGRQHSA-N -1 1 319.434 2.873 20 0 DFADMM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820649222 606581990 /nfs/dbraw/zinc/58/19/90/606581990.db2.gz JYYQUAZOJPAPIG-UWVGGRQHSA-N -1 1 319.434 2.873 20 0 DFADMM c1cc(-c2noc(-c3ccc(-c4nnn[n-]4)s3)n2)cs1 ZINC000823748453 606620570 /nfs/dbraw/zinc/62/05/70/606620570.db2.gz XUEWSFCGHHLNFK-UHFFFAOYSA-N -1 1 302.344 2.707 20 0 DFADMM c1cc(-c2noc(-c3ccc(-c4nn[n-]n4)s3)n2)cs1 ZINC000823748453 606620571 /nfs/dbraw/zinc/62/05/71/606620571.db2.gz XUEWSFCGHHLNFK-UHFFFAOYSA-N -1 1 302.344 2.707 20 0 DFADMM C[C@H]1CCC[C@H](CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC000820697430 606646603 /nfs/dbraw/zinc/64/66/03/606646603.db2.gz HEVJALZNCMBFIL-RYUDHWBXSA-N -1 1 315.377 2.521 20 0 DFADMM C[C@H]1CCC[C@H](CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC000820697430 606646604 /nfs/dbraw/zinc/64/66/04/606646604.db2.gz HEVJALZNCMBFIL-RYUDHWBXSA-N -1 1 315.377 2.521 20 0 DFADMM CCc1nnc(Oc2cccc(F)c2)c(-c2nnn[n-]2)c1CC ZINC000821547762 606909720 /nfs/dbraw/zinc/90/97/20/606909720.db2.gz BJGCAEOXUNLKEK-UHFFFAOYSA-N -1 1 314.324 2.713 20 0 DFADMM CCc1nnc(Oc2cccc(F)c2)c(-c2nn[n-]n2)c1CC ZINC000821547762 606909722 /nfs/dbraw/zinc/90/97/22/606909722.db2.gz BJGCAEOXUNLKEK-UHFFFAOYSA-N -1 1 314.324 2.713 20 0 DFADMM C[C@H](CC(=O)Nc1ncc(-c2nnn[n-]2)s1)C1CCCCC1 ZINC000820225314 607109887 /nfs/dbraw/zinc/10/98/87/607109887.db2.gz GDPLEAGAVQWXRE-SECBINFHSA-N -1 1 320.422 2.868 20 0 DFADMM C[C@H](CC(=O)Nc1ncc(-c2nn[n-]n2)s1)C1CCCCC1 ZINC000820225314 607109889 /nfs/dbraw/zinc/10/98/89/607109889.db2.gz GDPLEAGAVQWXRE-SECBINFHSA-N -1 1 320.422 2.868 20 0 DFADMM FC1(F)CCC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000822736983 607131269 /nfs/dbraw/zinc/13/12/69/607131269.db2.gz NKVHOVCYYRXMQT-RXMQYKEDSA-N -1 1 320.756 2.966 20 0 DFADMM FC1(F)CCC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000822736983 607131270 /nfs/dbraw/zinc/13/12/70/607131270.db2.gz NKVHOVCYYRXMQT-RXMQYKEDSA-N -1 1 320.756 2.966 20 0 DFADMM COCCC1(CNc2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000821686801 607175655 /nfs/dbraw/zinc/17/56/55/607175655.db2.gz AEBMEUGSBBKLSO-UHFFFAOYSA-N -1 1 324.388 2.644 20 0 DFADMM COCCC1(CNc2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000821686801 607175656 /nfs/dbraw/zinc/17/56/56/607175656.db2.gz AEBMEUGSBBKLSO-UHFFFAOYSA-N -1 1 324.388 2.644 20 0 DFADMM CSc1ccc(NCc2ccc(-c3nn[n-]n3)s2)nc1 ZINC000821982753 607228915 /nfs/dbraw/zinc/22/89/15/607228915.db2.gz AKIPVOCOLKZHMT-UHFFFAOYSA-N -1 1 304.404 2.657 20 0 DFADMM CC(C)[C@@H](CNc1cccc(-c2nnn[n-]2)n1)Nc1ccccc1 ZINC000824191479 607895524 /nfs/dbraw/zinc/89/55/24/607895524.db2.gz FUGSFGHUGFSIDY-OAHLLOKOSA-N -1 1 323.404 2.810 20 0 DFADMM CC(C)[C@@H](CNc1cccc(-c2nn[n-]n2)n1)Nc1ccccc1 ZINC000824191479 607895525 /nfs/dbraw/zinc/89/55/25/607895525.db2.gz FUGSFGHUGFSIDY-OAHLLOKOSA-N -1 1 323.404 2.810 20 0 DFADMM C[C@@H](c1c(F)cccc1F)N(C)c1cccc(-c2nnn[n-]2)n1 ZINC000824763950 607896930 /nfs/dbraw/zinc/89/69/30/607896930.db2.gz QSPVWZLFARRBBS-VIFPVBQESA-N -1 1 316.315 2.737 20 0 DFADMM C[C@@H](c1c(F)cccc1F)N(C)c1cccc(-c2nn[n-]n2)n1 ZINC000824763950 607896931 /nfs/dbraw/zinc/89/69/31/607896931.db2.gz QSPVWZLFARRBBS-VIFPVBQESA-N -1 1 316.315 2.737 20 0 DFADMM Cc1ccc(C[C@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826287201 607900229 /nfs/dbraw/zinc/90/02/29/607900229.db2.gz GZSCKUMRNZWIGI-OAHLLOKOSA-N -1 1 320.400 2.782 20 0 DFADMM Cc1ccc(C[C@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826287201 607900230 /nfs/dbraw/zinc/90/02/30/607900230.db2.gz GZSCKUMRNZWIGI-OAHLLOKOSA-N -1 1 320.400 2.782 20 0 DFADMM C[C@@H]1CCN(c2cccc(-c3nnn[n-]3)n2)[C@@H](c2ccco2)C1 ZINC000824962567 607900671 /nfs/dbraw/zinc/90/06/71/607900671.db2.gz VSDXZIDOYXDYSN-DGCLKSJQSA-N -1 1 310.361 2.832 20 0 DFADMM C[C@@H]1CCN(c2cccc(-c3nn[n-]n3)n2)[C@@H](c2ccco2)C1 ZINC000824962567 607900672 /nfs/dbraw/zinc/90/06/72/607900672.db2.gz VSDXZIDOYXDYSN-DGCLKSJQSA-N -1 1 310.361 2.832 20 0 DFADMM CC(C)(C)c1cc(NC(=O)C2CCC2)c(-c2nnn[n-]2)s1 ZINC000824130477 607930106 /nfs/dbraw/zinc/93/01/06/607930106.db2.gz KUHMWPWZFQGQLX-UHFFFAOYSA-N -1 1 305.407 2.964 20 0 DFADMM CC(C)(C)c1cc(NC(=O)C2CCC2)c(-c2nn[n-]n2)s1 ZINC000824130477 607930107 /nfs/dbraw/zinc/93/01/07/607930107.db2.gz KUHMWPWZFQGQLX-UHFFFAOYSA-N -1 1 305.407 2.964 20 0 DFADMM C[C@H](c1ccccn1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC000824770446 608178719 /nfs/dbraw/zinc/17/87/19/608178719.db2.gz KPKBOVYLCZYZAG-SSDOTTSWSA-N -1 1 321.797 2.569 20 0 DFADMM C[C@H](c1ccccn1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC000824770446 608178720 /nfs/dbraw/zinc/17/87/20/608178720.db2.gz KPKBOVYLCZYZAG-SSDOTTSWSA-N -1 1 321.797 2.569 20 0 DFADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N[C@@H]1CC12CCCCC2 ZINC000826523714 608194985 /nfs/dbraw/zinc/19/49/85/608194985.db2.gz VIQPOTZROWIVAW-CYBMUJFWSA-N -1 1 321.388 2.945 20 0 DFADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N[C@@H]1CC12CCCCC2 ZINC000826523714 608194986 /nfs/dbraw/zinc/19/49/86/608194986.db2.gz VIQPOTZROWIVAW-CYBMUJFWSA-N -1 1 321.388 2.945 20 0 DFADMM CC(C)[C@@H]1CCCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000824216875 608227985 /nfs/dbraw/zinc/22/79/85/608227985.db2.gz WOKVDDJWEFSVFM-NSHDSACASA-N -1 1 306.801 2.930 20 0 DFADMM CC(C)[C@@H]1CCCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000824216875 608227986 /nfs/dbraw/zinc/22/79/86/608227986.db2.gz WOKVDDJWEFSVFM-NSHDSACASA-N -1 1 306.801 2.930 20 0 DFADMM c1cc(-c2ccccc2)oc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826518858 608402517 /nfs/dbraw/zinc/40/25/17/608402517.db2.gz AAXZPUBPCSBKHY-UHFFFAOYSA-N -1 1 319.328 2.529 20 0 DFADMM c1cc(-c2ccccc2)oc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826518858 608402518 /nfs/dbraw/zinc/40/25/18/608402518.db2.gz AAXZPUBPCSBKHY-UHFFFAOYSA-N -1 1 319.328 2.529 20 0 DFADMM CC[C@H](C)Oc1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000825074621 608403440 /nfs/dbraw/zinc/40/34/40/608403440.db2.gz IKTNWCJZCVMTIB-JTQLQIEISA-N -1 1 311.349 2.578 20 0 DFADMM CC[C@H](C)Oc1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000825074621 608403441 /nfs/dbraw/zinc/40/34/41/608403441.db2.gz IKTNWCJZCVMTIB-JTQLQIEISA-N -1 1 311.349 2.578 20 0 DFADMM CC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1cccc(Cl)c1 ZINC000825148643 608425875 /nfs/dbraw/zinc/42/58/75/608425875.db2.gz RJDOAJGAJFBHFG-NSHDSACASA-N -1 1 315.768 2.873 20 0 DFADMM CC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1cccc(Cl)c1 ZINC000825148643 608425876 /nfs/dbraw/zinc/42/58/76/608425876.db2.gz RJDOAJGAJFBHFG-NSHDSACASA-N -1 1 315.768 2.873 20 0 DFADMM CC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(Cl)s1 ZINC000825146616 608429262 /nfs/dbraw/zinc/42/92/62/608429262.db2.gz DRSUDNGULISGQL-SSDOTTSWSA-N -1 1 321.797 2.935 20 0 DFADMM CC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(Cl)s1 ZINC000825146616 608429263 /nfs/dbraw/zinc/42/92/63/608429263.db2.gz DRSUDNGULISGQL-SSDOTTSWSA-N -1 1 321.797 2.935 20 0 DFADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC(c2ccccc2)CC1 ZINC000826280146 608541990 /nfs/dbraw/zinc/54/19/90/608541990.db2.gz PGGQQCIHZCMFIN-UHFFFAOYSA-N -1 1 320.400 2.954 20 0 DFADMM c1cc(-c2nn[n-]n2)sc1CNc1cnn(-c2ccccc2)c1 ZINC000826519682 608567245 /nfs/dbraw/zinc/56/72/45/608567245.db2.gz JPDCZAXHEDAHDA-UHFFFAOYSA-N -1 1 323.385 2.726 20 0 DFADMM c1cn(CCCc2cccc3ccccc32)c(-c2nnn[n-]2)n1 ZINC000826522481 608888476 /nfs/dbraw/zinc/88/84/76/608888476.db2.gz CLFOYHASQYCSLT-UHFFFAOYSA-N -1 1 304.357 2.849 20 0 DFADMM c1cn(CCCc2cccc3ccccc32)c(-c2nn[n-]n2)n1 ZINC000826522481 608888477 /nfs/dbraw/zinc/88/84/77/608888477.db2.gz CLFOYHASQYCSLT-UHFFFAOYSA-N -1 1 304.357 2.849 20 0 DFADMM CC[C@H](C)CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825066936 609278512 /nfs/dbraw/zinc/27/85/12/609278512.db2.gz FVZXPPPWCMXSCZ-JTQLQIEISA-N -1 1 315.356 2.650 20 0 DFADMM C[C@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)[C@@H]1CCCOC1 ZINC000824651459 609564341 /nfs/dbraw/zinc/56/43/41/609564341.db2.gz ZVNQQDUYLFOVOK-NWDGAFQWSA-N -1 1 324.388 2.642 20 0 DFADMM C[C@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)[C@@H]1CCCOC1 ZINC000824651459 609564342 /nfs/dbraw/zinc/56/43/42/609564342.db2.gz ZVNQQDUYLFOVOK-NWDGAFQWSA-N -1 1 324.388 2.642 20 0 DFADMM CCO[C@@H]1C[C@H](NC(=O)c2ccc([O-])cc2F)C12CCCC2 ZINC000181245328 199270518 /nfs/dbraw/zinc/27/05/18/199270518.db2.gz SLOQSNSMCWAERN-LSDHHAIUSA-N -1 1 307.365 2.999 20 0 DFADMM CC[C@@H]1CN(Cc2cccc([O-])c2Cl)C[C@@H](C)[S@@]1=O ZINC000294824892 529397780 /nfs/dbraw/zinc/39/77/80/529397780.db2.gz XYAIICQWHJYKGK-UDTOPMKXSA-N -1 1 301.839 2.777 20 0 DFADMM COC(=O)c1c[n-]c(SCc2cc(OC)ccc2OC)n1 ZINC000278692763 214331458 /nfs/dbraw/zinc/33/14/58/214331458.db2.gz QDLDKZWDBTXFDK-UHFFFAOYSA-N -1 1 308.359 2.506 20 0 DFADMM CCc1n[nH]c([N-]S(=O)(=O)c2c(C)cc(C)cc2OC)c1C ZINC000331337918 529470185 /nfs/dbraw/zinc/47/01/85/529470185.db2.gz ZXICABKBGKWTQR-UHFFFAOYSA-N -1 1 323.418 2.707 20 0 DFADMM O=c1cc(CN2CCC(c3nccs3)CC2)nc(C2CC2)[nH]1 ZINC000459331110 299082062 /nfs/dbraw/zinc/08/20/62/299082062.db2.gz UNBHXACGNQOMTQ-UHFFFAOYSA-N -1 1 316.430 2.896 20 0 DFADMM COc1ccc(Br)c(NC(=O)c2cncc([O-])c2)c1 ZINC000088331375 185246119 /nfs/dbraw/zinc/24/61/19/185246119.db2.gz GYTJMVLUTCEPQZ-UHFFFAOYSA-N -1 1 323.146 2.811 20 0 DFADMM CCCc1n[n-]c(=S)n1CC(=O)NCc1ccc(C)cc1 ZINC000016645129 398402068 /nfs/dbraw/zinc/40/20/68/398402068.db2.gz AQFNSIOSEDYHNW-UHFFFAOYSA-N -1 1 304.419 2.518 20 0 DFADMM CC(C)c1cccc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)c1 ZINC000016728226 398402101 /nfs/dbraw/zinc/40/21/01/398402101.db2.gz HOPUZXLMZAFBOC-UHFFFAOYSA-N -1 1 318.398 2.710 20 0 DFADMM O=S(=O)([N-]CC1CCSCC1)c1cc2ccccc2o1 ZINC000084938151 398411135 /nfs/dbraw/zinc/41/11/35/398411135.db2.gz KKKTYNFSFUBVDJ-UHFFFAOYSA-N -1 1 311.428 2.854 20 0 DFADMM CCNC(=O)CCn1c(=S)[n-]nc1-c1ccc(OCC)cc1 ZINC000023028461 398422168 /nfs/dbraw/zinc/42/21/68/398422168.db2.gz VPUSAOGKBUMXSE-UHFFFAOYSA-N -1 1 320.418 2.533 20 0 DFADMM CCc1nc(SCc2csc(NC(C)=O)n2)[n-]c(=O)c1C ZINC000584851433 398422599 /nfs/dbraw/zinc/42/25/99/398422599.db2.gz VVJZWJQGORYFGZ-UHFFFAOYSA-N -1 1 324.431 2.760 20 0 DFADMM O=C([O-])c1ccccc1CC1CCN(Cc2ccno2)CC1 ZINC000584849938 398422997 /nfs/dbraw/zinc/42/29/97/398422997.db2.gz OCTNIBAWRUSTFY-UHFFFAOYSA-N -1 1 300.358 2.828 20 0 DFADMM CSc1nc(C)c(CCC(=O)NCCCC(C)C)c(=O)[n-]1 ZINC000025802902 398446120 /nfs/dbraw/zinc/44/61/20/398446120.db2.gz MNVLKVBGGYQRMO-UHFFFAOYSA-N -1 1 311.451 2.698 20 0 DFADMM C[C@H](NC(=O)C1CCCC1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000272766543 210169561 /nfs/dbraw/zinc/16/95/61/210169561.db2.gz RKBMYAXKYAOTSJ-VIFPVBQESA-N -1 1 310.781 2.679 20 0 DFADMM O=C(NCc1ccnc(Oc2ccccc2)c1)c1ncccc1[O-] ZINC000586751901 398452362 /nfs/dbraw/zinc/45/23/62/398452362.db2.gz UFLFKICNEPZPCU-UHFFFAOYSA-N -1 1 321.336 2.905 20 0 DFADMM O=S(=O)([N-]c1cc(F)cc(F)c1)c1ccc2c(c1)COC2 ZINC000068075267 398477540 /nfs/dbraw/zinc/47/75/40/398477540.db2.gz QSWYWXNYKLDWNN-UHFFFAOYSA-N -1 1 311.309 2.796 20 0 DFADMM COC(=O)c1cc([C@H](C)S(=O)(=O)c2ccc([O-])cc2)oc1C ZINC000292280156 398482500 /nfs/dbraw/zinc/48/25/00/398482500.db2.gz HZYNDKDRUUGRNN-JTQLQIEISA-N -1 1 324.354 2.615 20 0 DFADMM CCC1(CC)[C@H](N(C)C(=O)c2ncc(C)cc2[O-])C[C@@H]1OC ZINC000332423343 282405259 /nfs/dbraw/zinc/40/52/59/282405259.db2.gz DERZPNFCBBBZJN-KGLIPLIRSA-N -1 1 306.406 2.761 20 0 DFADMM CCC[C@H](C)N(C)C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000029447784 398485646 /nfs/dbraw/zinc/48/56/46/398485646.db2.gz AKDSQVGWQZCDRV-JTQLQIEISA-N -1 1 311.451 2.792 20 0 DFADMM CC(C)(C)OC(=O)C(C)(C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000592804028 398487599 /nfs/dbraw/zinc/48/75/99/398487599.db2.gz OLOKVELIMBWBGA-UHFFFAOYSA-N -1 1 315.316 2.977 20 0 DFADMM COC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000055637794 282420300 /nfs/dbraw/zinc/42/03/00/282420300.db2.gz TZKFXNNVWGBWKY-UHFFFAOYSA-N -1 1 324.333 2.805 20 0 DFADMM CC(C)NC(=O)Cc1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000029916225 398493901 /nfs/dbraw/zinc/49/39/01/398493901.db2.gz GNUQFOGJFVSZIF-UHFFFAOYSA-N -1 1 312.369 2.712 20 0 DFADMM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(OC)cc1F ZINC000588680503 398503612 /nfs/dbraw/zinc/50/36/12/398503612.db2.gz VHEMEHWQQDPPKA-RKDXNWHRSA-N -1 1 307.362 2.686 20 0 DFADMM COc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CC=CCC2)c(F)c1 ZINC000588683443 398503866 /nfs/dbraw/zinc/50/38/66/398503866.db2.gz RYEZBIASYZYPCZ-SNVBAGLBSA-N -1 1 317.357 2.608 20 0 DFADMM COc1cc(C(=O)N[C@@H]2C[C@H]2c2ccco2)cc(Cl)c1[O-] ZINC000414034899 295759455 /nfs/dbraw/zinc/75/94/55/295759455.db2.gz NFBWDBXNSJFKMW-MWLCHTKSSA-N -1 1 307.733 2.933 20 0 DFADMM CCOC(=O)[C@@H](NCc1ncccc1[O-])c1ccc(Cl)cc1 ZINC000589177226 398532090 /nfs/dbraw/zinc/53/20/90/398532090.db2.gz RDVIGDRPQLJOPN-HNNXBMFYSA-N -1 1 320.776 2.835 20 0 DFADMM CC[C@H](CC(=O)/N=c1/ccnc2n(C)[n-]cc1-2)c1ccccc1 ZINC000279736237 215102252 /nfs/dbraw/zinc/10/22/52/215102252.db2.gz JSOLFHNIMDWLNE-QIAIEURZSA-N -1 1 308.385 2.864 20 0 DFADMM CCc1[nH]nc(NC(=O)c2ccccc2[O-])c1Br ZINC000091992337 398552144 /nfs/dbraw/zinc/55/21/44/398552144.db2.gz YKBHAGRAMAMUBA-UHFFFAOYSA-N -1 1 310.151 2.693 20 0 DFADMM COc1ccc2[nH]nc(NC(=O)c3ccc([O-])c(F)c3)c2c1 ZINC000681062981 545591339 /nfs/dbraw/zinc/59/13/39/545591339.db2.gz GSLDKCHOEXHJLA-UHFFFAOYSA-N -1 1 301.277 2.669 20 0 DFADMM CSCCONC(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000279826545 215179621 /nfs/dbraw/zinc/17/96/21/215179621.db2.gz DQBTXCYNWHQDMW-UHFFFAOYSA-N -1 1 310.404 2.621 20 0 DFADMM CN(C(=O)/N=c1/ccnc2n(C)[n-]cc1-2)C1CCC(C)(C)CC1 ZINC000287025932 219275081 /nfs/dbraw/zinc/27/50/81/219275081.db2.gz CKVKBGHKIYQFJO-ZHZULCJRSA-N -1 1 315.421 2.774 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc(C)c(F)c1 ZINC000080504822 192163315 /nfs/dbraw/zinc/16/33/15/192163315.db2.gz ZVZRDUZKTDSJFE-UHFFFAOYSA-N -1 1 321.377 2.590 20 0 DFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000080540032 192165763 /nfs/dbraw/zinc/16/57/63/192165763.db2.gz ZFPTYPUNCKZWLR-PWSUYJOCSA-N -1 1 305.422 2.684 20 0 DFADMM CCc1cccc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)c1 ZINC000080938416 282627132 /nfs/dbraw/zinc/62/71/32/282627132.db2.gz ZGSZQTXNWVYFHE-UHFFFAOYSA-N -1 1 301.371 2.926 20 0 DFADMM CCOc1ccc(Cl)c([N-]S(=O)(=O)CC(C)(C)OC)c1 ZINC000414381142 295795448 /nfs/dbraw/zinc/79/54/48/295795448.db2.gz HZPALTASRBGVKX-UHFFFAOYSA-N -1 1 321.826 2.905 20 0 DFADMM CCCC1CCC(NC(=O)/N=c2/ccnc3n(C)[n-]cc2-3)CC1 ZINC000287064201 219293549 /nfs/dbraw/zinc/29/35/49/219293549.db2.gz GWWMOSIDPIXQTP-QNGOZBTKSA-N -1 1 315.421 2.822 20 0 DFADMM CCc1sc(C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)cc1C ZINC000279983100 215289981 /nfs/dbraw/zinc/28/99/81/215289981.db2.gz ZOCZNKVVKVJBAM-WQRHYEAKSA-N -1 1 300.387 2.526 20 0 DFADMM CC(C)CNC(=O)CCn1c(-c2cccs2)n[n-]c1=S ZINC000138326608 186015976 /nfs/dbraw/zinc/01/59/76/186015976.db2.gz SFMOCGDSMSREAL-UHFFFAOYSA-N -1 1 310.448 2.831 20 0 DFADMM COc1ccc(-c2nsc([N-]C(=O)c3cncs3)n2)cc1 ZINC000590682465 398651432 /nfs/dbraw/zinc/65/14/32/398651432.db2.gz PYLBOJFLFYOWQR-UHFFFAOYSA-N -1 1 318.383 2.923 20 0 DFADMM COC(=O)c1ccnc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000114558714 282732014 /nfs/dbraw/zinc/73/20/14/282732014.db2.gz QDLLDIGCKORZCY-UHFFFAOYSA-N -1 1 322.320 2.979 20 0 DFADMM Cc1ccc(OC2CCN(C(=O)c3cncc([O-])c3)CC2)cc1 ZINC000172082581 198036830 /nfs/dbraw/zinc/03/68/30/198036830.db2.gz MASYOMVRWQOOHM-UHFFFAOYSA-N -1 1 312.369 2.779 20 0 DFADMM Cc1ccc2nc(-c3cccc(OC[C@@H](C)O)c3)[n-]c(=O)c2c1 ZINC000073157673 398665454 /nfs/dbraw/zinc/66/54/54/398665454.db2.gz PTVFLXSKHPMMSB-GFCCVEGCSA-N -1 1 310.353 2.658 20 0 DFADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)nc2)c(C)c1C ZINC000121300478 282806557 /nfs/dbraw/zinc/80/65/57/282806557.db2.gz UXEUWBVVUXQZAL-UHFFFAOYSA-N -1 1 306.387 2.816 20 0 DFADMM C[C@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)c1cccc(F)c1 ZINC000173200917 198194364 /nfs/dbraw/zinc/19/43/64/198194364.db2.gz LSQZXPUCQAHJJP-LURJTMIESA-N -1 1 302.231 2.705 20 0 DFADMM O=C(NCCOc1ccc(F)c(F)c1)c1c([O-])cccc1F ZINC000123466132 282849184 /nfs/dbraw/zinc/84/91/84/282849184.db2.gz HRCGEPUAXUDHTN-UHFFFAOYSA-N -1 1 311.259 2.618 20 0 DFADMM COc1ccc(F)c([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000123691727 282853205 /nfs/dbraw/zinc/85/32/05/282853205.db2.gz ZQEHRZDTCJXSBI-UHFFFAOYSA-N -1 1 324.308 2.646 20 0 DFADMM CC(C)(C)OC(=O)CN(CC1CC1)C(=O)c1ccc([O-])c(F)c1 ZINC000593820274 398693675 /nfs/dbraw/zinc/69/36/75/398693675.db2.gz QPRXWCDMUQMRAE-UHFFFAOYSA-N -1 1 323.364 2.725 20 0 DFADMM CC1(C)[C@@H]2CN(C(=O)c3cc(Br)ccc3[O-])C[C@@H]21 ZINC000174025623 198282021 /nfs/dbraw/zinc/28/20/21/198282021.db2.gz RFVQZCOXVXNYNB-PHIMTYICSA-N -1 1 310.191 2.883 20 0 DFADMM C[C@@H]1CCC(=O)[C@H](Sc2nc([O-])cc(=O)n2C2CCCC2)C1 ZINC000331983035 234350732 /nfs/dbraw/zinc/35/07/32/234350732.db2.gz TVGVBOJFFXLMED-ZWNOBZJWSA-N -1 1 322.430 2.914 20 0 DFADMM C[C@@H]1CCC(=O)[C@H](Sc2nc(=O)cc([O-])n2C2CCCC2)C1 ZINC000331983035 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CCOC(=O)c1c[n-]c(NC(=O)CCc2cccc(Cl)c2)n1 ZINC000591303283 398746655 /nfs/dbraw/zinc/74/66/55/398746655.db2.gz RRIGQNGPPPJBFW-UHFFFAOYSA-N -1 1 321.764 2.811 20 0 DFADMM C[C@@H](CNC(=O)c1cc2ccccc2cc1[O-])Cn1cccn1 ZINC000047420105 398748922 /nfs/dbraw/zinc/74/89/22/398748922.db2.gz DOGXBIBWSKCIQG-ZDUSSCGKSA-N -1 1 309.369 2.808 20 0 DFADMM COCCOCCCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000132830591 283131186 /nfs/dbraw/zinc/13/11/86/283131186.db2.gz HFMRUPQGISJFBY-UHFFFAOYSA-N -1 1 317.385 2.718 20 0 DFADMM O=C(CNC(=O)c1c([O-])cccc1F)Nc1ccc(Cl)cc1 ZINC000132885401 283132848 /nfs/dbraw/zinc/13/28/48/283132848.db2.gz SIXBACKZWBZNPO-UHFFFAOYSA-N -1 1 322.723 2.553 20 0 DFADMM Cc1cccc(CNC(=O)c2ccc(Br)c([O-])c2)n1 ZINC000133195166 283143713 /nfs/dbraw/zinc/14/37/13/283143713.db2.gz GKASJIKWSONHTF-UHFFFAOYSA-N -1 1 321.174 2.788 20 0 DFADMM CSc1nc(C)c(CCC(=O)N2C[C@H](C)[C@@H](C)[C@@H]2C)c(=O)[n-]1 ZINC000416071465 295917735 /nfs/dbraw/zinc/91/77/35/295917735.db2.gz LUFGJWJHXUKTMF-UMNHJUIQSA-N -1 1 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/nfs/dbraw/zinc/47/66/90/304476690.db2.gz USJLGOMICCSGCN-UHFFFAOYSA-N -1 1 311.328 2.703 20 0 DFADMM C[C@@H]1CN(C(=O)c2ccc3n[n-]c(=S)n3c2)[C@H]2CCCC[C@@H]12 ZINC000295685997 225124386 /nfs/dbraw/zinc/12/43/86/225124386.db2.gz NGOUWMPBZXEZRF-WXHSDQCUSA-N -1 1 316.430 2.669 20 0 DFADMM O=C(c1ccc([O-])c(F)c1)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000669633382 543977776 /nfs/dbraw/zinc/97/77/76/543977776.db2.gz KWKKLWQPDMBBIU-ZFWWWQNUSA-N -1 1 319.307 2.619 20 0 DFADMM O=C(c1ccc([O-])c(F)c1)N1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000669633380 543977980 /nfs/dbraw/zinc/97/79/80/543977980.db2.gz KWKKLWQPDMBBIU-HIFRSBDPSA-N -1 1 319.307 2.619 20 0 DFADMM Cc1csc([C@@H]2CN(C(=O)c3ccc([O-])c(F)c3)CCO2)n1 ZINC000669931124 544008457 /nfs/dbraw/zinc/00/84/57/544008457.db2.gz VEDXPZAYRDOBKV-ZDUSSCGKSA-N -1 1 322.361 2.510 20 0 DFADMM Cc1nc(C(=O)[N-]c2nnc(Cc3ccccc3F)s2)co1 ZINC000669950313 544011133 /nfs/dbraw/zinc/01/11/33/544011133.db2.gz LGVGDDORCUOILA-UHFFFAOYSA-N -1 1 318.333 2.817 20 0 DFADMM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(-c2nc(C)c(C)o2)cc1 ZINC000669820892 543997616 /nfs/dbraw/zinc/99/76/16/543997616.db2.gz SHLZTXLDEOBUNO-JTQLQIEISA-N -1 1 324.402 2.735 20 0 DFADMM C[C@@H]1OCCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)[C@H]1C ZINC000670419360 544039107 /nfs/dbraw/zinc/03/91/07/544039107.db2.gz ICQUPNGEGGJSKG-IUCAKERBSA-N -1 1 303.280 2.660 20 0 DFADMM CCC[C@@H](NC(=O)c1cc(C)cc2c(C)ccnc12)c1nn[n-]n1 ZINC000670802707 544051319 /nfs/dbraw/zinc/05/13/19/544051319.db2.gz LESRBIRDGDPMSB-CQSZACIVSA-N -1 1 324.388 2.636 20 0 DFADMM Cc1nc(SC[C@@H]2COc3ccccc3O2)[n-]c(=O)c1C ZINC000671164635 544058514 /nfs/dbraw/zinc/05/85/14/544058514.db2.gz XECUWCZVEUMHAZ-NSHDSACASA-N -1 1 304.371 2.731 20 0 DFADMM O=C(Nc1nncn1C1CC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000671868287 544115487 /nfs/dbraw/zinc/11/54/87/544115487.db2.gz QHAYNNLBGKHDLG-UHFFFAOYSA-N -1 1 312.251 2.590 20 0 DFADMM Cc1n[nH]cc1C1CCN(C(=O)c2ccc([O-])c(F)c2)CC1 ZINC000671902502 544116666 /nfs/dbraw/zinc/11/66/66/544116666.db2.gz 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/nfs/dbraw/zinc/28/34/98/544283498.db2.gz XKVCVNXHKYLSQB-UHFFFAOYSA-N -1 1 321.354 2.508 20 0 DFADMM CC[C@H]1CN2CCCC[C@H]2CN1C(=O)c1c([O-])cc(F)cc1F ZINC000674759519 544255562 /nfs/dbraw/zinc/25/55/62/544255562.db2.gz JRBSIURDWXQPIK-STQMWFEESA-N -1 1 324.371 2.759 20 0 DFADMM O=S(=O)([N-]c1cc(C2CC2)n[nH]1)c1ccc(F)c(Cl)c1 ZINC000675547737 544318645 /nfs/dbraw/zinc/31/86/45/544318645.db2.gz JGTDBTNBWLFOQW-UHFFFAOYSA-N -1 1 315.757 2.880 20 0 DFADMM CO[C@@H](CNC(=O)c1cncc([O-])c1)c1ccccc1Cl ZINC000675708866 544330589 /nfs/dbraw/zinc/33/05/89/544330589.db2.gz MWBJPQJOTYFQEB-AWEZNQCLSA-N -1 1 306.749 2.558 20 0 DFADMM Cc1ccc2c([O-])c(C(=O)N[C@@H]3CCC(F)(F)C3)cnc2n1 ZINC000675708940 544330780 /nfs/dbraw/zinc/33/07/80/544330780.db2.gz PLICUYPVSYZXII-SECBINFHSA-N -1 1 307.300 2.561 20 0 DFADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@@H]1CCC(F)(F)C1)c2=O ZINC000675708940 544330781 /nfs/dbraw/zinc/33/07/81/544330781.db2.gz PLICUYPVSYZXII-SECBINFHSA-N -1 1 307.300 2.561 20 0 DFADMM CC1(C)CCC(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)CC1 ZINC000676123432 544358493 /nfs/dbraw/zinc/35/84/93/544358493.db2.gz LPBAMNJZFUFTQU-AWEZNQCLSA-N -1 1 313.405 2.622 20 0 DFADMM O=C([O-])C[C@@H]1CCCN(Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000676232495 544364884 /nfs/dbraw/zinc/36/48/84/544364884.db2.gz CVROFQTYVAKWLR-ZDUSSCGKSA-N -1 1 317.364 2.698 20 0 DFADMM C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCC[C@H](CC(=O)[O-])C1 ZINC000676232995 544365228 /nfs/dbraw/zinc/36/52/28/544365228.db2.gz LJCWDVMORYSVDB-NWDGAFQWSA-N -1 1 324.808 2.854 20 0 DFADMM Cc1[nH]nc(C(=O)Nc2ccccc2NCC(F)(F)F)c1[O-] ZINC000676631902 544389454 /nfs/dbraw/zinc/38/94/54/544389454.db2.gz JYIOKSMDWRZSAE-UHFFFAOYSA-N -1 1 314.267 2.650 20 0 DFADMM CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(F)cc1[O-] ZINC000677590413 544509107 /nfs/dbraw/zinc/50/91/07/544509107.db2.gz VFZBEWVMNSWVFZ-GFCCVEGCSA-N -1 1 308.353 2.507 20 0 DFADMM CCCCc1ccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1 ZINC000677928606 544566739 /nfs/dbraw/zinc/56/67/39/544566739.db2.gz DSADGHHRAHPDAM-OAHLLOKOSA-N -1 1 313.405 2.562 20 0 DFADMM CSc1cc(NC(=O)c2cc(NC(C)=O)ccc2[O-])ccn1 ZINC000678058298 544590428 /nfs/dbraw/zinc/59/04/28/544590428.db2.gz MAYDVBKCJNLZTQ-UHFFFAOYSA-N -1 1 317.370 2.720 20 0 DFADMM C[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])C[C@@H](C(F)(F)F)O1 ZINC000678314882 544649867 /nfs/dbraw/zinc/64/98/67/544649867.db2.gz FCXTWHRTLJTAIH-CPCISQLKSA-N -1 1 323.698 2.837 20 0 DFADMM O=C(Cc1ccc(Br)cc1)[N-]O[C@H]1CCCCO1 ZINC000299495156 229154108 /nfs/dbraw/zinc/15/41/08/229154108.db2.gz DRRJUFZKUMJGBY-ZDUSSCGKSA-N -1 1 314.179 2.566 20 0 DFADMM c1nnc(C[N-]c2nc(-c3ccccc3)no2)n1-c1ccccc1 ZINC000678708091 544710844 /nfs/dbraw/zinc/71/08/44/544710844.db2.gz KOAPLQHFQWSKSP-UHFFFAOYSA-N -1 1 318.340 2.929 20 0 DFADMM C[C@@H](C[C@@H]1CCOC1)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000678964906 544758286 /nfs/dbraw/zinc/75/82/86/544758286.db2.gz QQVOIOZFPXZZFL-UWVGGRQHSA-N -1 1 317.307 2.956 20 0 DFADMM CCn1cc(CC(=O)[N-]O[C@@H]2CCCCO2)c2ccccc21 ZINC000299722904 229361352 /nfs/dbraw/zinc/36/13/52/229361352.db2.gz XRDTWGAPXRXKIN-QGZVFWFLSA-N -1 1 302.374 2.778 20 0 DFADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@H](OC(F)F)C1 ZINC000679717221 544904695 /nfs/dbraw/zinc/90/46/95/544904695.db2.gz QLCAGGHBEAOUET-VIFPVBQESA-N -1 1 305.708 2.889 20 0 DFADMM O=C(N[C@@H]1COc2cc(F)cc(F)c21)c1cc(F)ccc1[O-] ZINC000680307177 544987352 /nfs/dbraw/zinc/98/73/52/544987352.db2.gz KZRACYKGJBHUAB-LLVKDONJSA-N -1 1 309.243 2.673 20 0 DFADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1Cl ZINC000055549415 425893942 /nfs/dbraw/zinc/89/39/42/425893942.db2.gz ATZDTJSUTSOWBL-UHFFFAOYSA-N -1 1 324.789 2.548 20 0 DFADMM COCCOc1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000055640422 425894334 /nfs/dbraw/zinc/89/43/34/425894334.db2.gz NUFKGIILJRDQPQ-UHFFFAOYSA-N -1 1 321.398 2.821 20 0 DFADMM COC(=O)N(C)c1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000057374339 425896421 /nfs/dbraw/zinc/89/64/21/425896421.db2.gz QEGCLWXWRVDREM-UHFFFAOYSA-N -1 1 300.314 2.847 20 0 DFADMM CCn1c(CCNC(=O)c2ccc(C)c(Cl)c2)n[n-]c1=S ZINC000067077762 425908527 /nfs/dbraw/zinc/90/85/27/425908527.db2.gz JZILZLOHVVUFKY-UHFFFAOYSA-N -1 1 324.837 2.895 20 0 DFADMM O=S(=O)([N-][C@@H]1C[C@H]1c1ccccc1)c1cc(F)ccc1F ZINC000067877616 425914353 /nfs/dbraw/zinc/91/43/53/425914353.db2.gz ADLMDYIQWDXBPK-GXTWGEPZSA-N -1 1 309.337 2.799 20 0 DFADMM NC(=O)c1cc(-c2csc(-c3cccc(O)c3)n2)ccc1[O-] ZINC000068479905 425918314 /nfs/dbraw/zinc/91/83/14/425918314.db2.gz HCXOIKISTCOZEP-UHFFFAOYSA-N -1 1 312.350 2.987 20 0 DFADMM C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])C(=O)N1CCCC[C@@H]1C ZINC000102477569 425921500 /nfs/dbraw/zinc/92/15/00/425921500.db2.gz RPQIJXSECYAOGB-WDEREUQCSA-N -1 1 324.808 2.565 20 0 DFADMM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000103176375 425937601 /nfs/dbraw/zinc/93/76/01/425937601.db2.gz JEWUNALHKCXNQB-JSGCOSHPSA-N -1 1 313.401 2.868 20 0 DFADMM COc1cc(S(=O)(=O)[N-]c2ccccc2N(C)C)ccc1F ZINC000190985330 267982731 /nfs/dbraw/zinc/98/27/31/267982731.db2.gz MZFZOGOIUNVVJF-UHFFFAOYSA-N -1 1 324.377 2.701 20 0 DFADMM O=S(=O)([N-]c1ccc(N2CCCC2)nc1)c1ccc(F)cc1 ZINC000036352889 425845840 /nfs/dbraw/zinc/84/58/40/425845840.db2.gz AQEZVIUTBGLXMX-UHFFFAOYSA-N -1 1 321.377 2.622 20 0 DFADMM CC(C)N(CC(=O)[O-])Cc1cc(F)ccc1Br ZINC000037994791 425849766 /nfs/dbraw/zinc/84/97/66/425849766.db2.gz PHLGXONEOGDYQC-UHFFFAOYSA-N -1 1 304.159 2.883 20 0 DFADMM COC(=O)C[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000038026474 425850294 /nfs/dbraw/zinc/85/02/94/425850294.db2.gz DDSFARCPMMWOSH-LLVKDONJSA-N -1 1 311.765 2.603 20 0 DFADMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2ccccc2C)n1 ZINC000041626068 425852408 /nfs/dbraw/zinc/85/24/08/425852408.db2.gz SOKPHFYXVUTSSC-LLVKDONJSA-N -1 1 317.414 2.760 20 0 DFADMM CCCCC[N-]S(=O)(=O)c1sccc1Br ZINC000042350710 425853236 /nfs/dbraw/zinc/85/32/36/425853236.db2.gz LDXFACCLKNLISL-UHFFFAOYSA-N -1 1 312.254 2.979 20 0 DFADMM COC[C@@H](Cc1ccccc1)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000191428744 268000585 /nfs/dbraw/zinc/00/05/85/268000585.db2.gz RYJBVOYZKHDNMR-OAHLLOKOSA-N -1 1 317.360 2.861 20 0 DFADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3cc[nH]c3c2)cs1 ZINC000193483435 268070059 /nfs/dbraw/zinc/07/00/59/268070059.db2.gz HPFUBOFSRMNGRJ-UHFFFAOYSA-N -1 1 322.367 2.728 20 0 DFADMM COC(=O)c1c[n-]c(SCC(=O)c2ccc(F)c(C)c2)n1 ZINC000193545792 268071295 /nfs/dbraw/zinc/07/12/95/268071295.db2.gz JQXRSPJTCVJROE-UHFFFAOYSA-N -1 1 308.334 2.619 20 0 DFADMM COC(=O)c1c[n-]c(SCc2nc3ccccc3nc2C)n1 ZINC000193559761 268072710 /nfs/dbraw/zinc/07/27/10/268072710.db2.gz PSGVCSHACDEIEL-UHFFFAOYSA-N -1 1 314.370 2.740 20 0 DFADMM CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(O)cc2[O-])c1 ZINC000193617218 268073944 /nfs/dbraw/zinc/07/39/44/268073944.db2.gz HLMSNZALBFHFHS-UHFFFAOYSA-N -1 1 320.732 2.962 20 0 DFADMM CCc1cc(=O)[n-]c(S[C@@H](C)c2cc(C)c(C(=O)OC)o2)n1 ZINC000195064679 268125824 /nfs/dbraw/zinc/12/58/24/268125824.db2.gz JJMRCPPMYKDAFL-VIFPVBQESA-N -1 1 322.386 2.874 20 0 DFADMM CCOc1cc(C(=O)NCc2cnn(CC)c2)cc(Cl)c1[O-] ZINC000273821768 268255238 /nfs/dbraw/zinc/25/52/38/268255238.db2.gz DBIKJEXPHCLTFO-UHFFFAOYSA-N 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GIOLMLMLJMVPFZ-CYBMUJFWSA-N -1 1 316.195 2.700 20 0 DFADMM Cc1cncc(CNC(=O)c2cc(Br)ccc2[O-])c1 ZINC000124939203 425946430 /nfs/dbraw/zinc/94/64/30/425946430.db2.gz RFEYDTDZZBPJGL-UHFFFAOYSA-N -1 1 321.174 2.788 20 0 DFADMM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2)ccc1C(N)=O ZINC000103425958 425946574 /nfs/dbraw/zinc/94/65/74/425946574.db2.gz YZQPXYSCFJHNCP-UHFFFAOYSA-N -1 1 324.789 2.548 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H](C)c1ccccc1C ZINC000125193015 425957016 /nfs/dbraw/zinc/95/70/16/425957016.db2.gz SNDAJIPZSFYSMZ-JTQLQIEISA-N -1 1 317.414 2.600 20 0 DFADMM O=C(c1cncc([O-])c1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000109042495 426026877 /nfs/dbraw/zinc/02/68/77/426026877.db2.gz NTKPAXKKYFZZPV-HNNXBMFYSA-N -1 1 318.760 2.654 20 0 DFADMM CC[C@H]1CN(C(=O)c2cnc3nc(C)ccc3c2[O-])CCS1 ZINC000075385709 426071603 /nfs/dbraw/zinc/07/16/03/426071603.db2.gz KPHYYKRCYQRFIE-NSHDSACASA-N -1 1 317.414 2.611 20 0 DFADMM CC[C@H]1CN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)CCS1 ZINC000075385709 426071605 /nfs/dbraw/zinc/07/16/05/426071605.db2.gz KPHYYKRCYQRFIE-NSHDSACASA-N -1 1 317.414 2.611 20 0 DFADMM CC(C)(C)OC(=O)NCC1([N-]C(=O)C(F)(F)F)CCCC1 ZINC000110962569 426036215 /nfs/dbraw/zinc/03/62/15/426036215.db2.gz IKSKICMNQWMIGR-UHFFFAOYSA-N -1 1 310.316 2.502 20 0 DFADMM Cc1ccccc1[C@@H](C)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000074272247 426045061 /nfs/dbraw/zinc/04/50/61/426045061.db2.gz LGBXBNYHAXUKBB-GFCCVEGCSA-N -1 1 307.353 2.723 20 0 DFADMM O=C(NCC1(c2ccc(Cl)cc2)CC1)c1cncc([O-])c1 ZINC000111598434 426053095 /nfs/dbraw/zinc/05/30/95/426053095.db2.gz UCHPRVVZSDCVIA-UHFFFAOYSA-N -1 1 302.761 2.902 20 0 DFADMM CC(C)(C)NC(=O)c1cccc(NC(=O)c2cncc([O-])c2)c1 ZINC000111571125 426053414 /nfs/dbraw/zinc/05/34/14/426053414.db2.gz DDEHVHUXCPTGQB-UHFFFAOYSA-N -1 1 313.357 2.568 20 0 DFADMM COCCOc1ccc(NC(=O)c2cncc([O-])c2)cc1Cl ZINC000111576657 426053480 /nfs/dbraw/zinc/05/34/80/426053480.db2.gz MXIGKVNKZOUHCV-UHFFFAOYSA-N -1 1 322.748 2.718 20 0 DFADMM COc1cc(F)cc2sc(NC(=O)c3cncc([O-])c3)nc21 ZINC000111608902 426053626 /nfs/dbraw/zinc/05/36/26/426053626.db2.gz OUUGEGLMYYZLTE-UHFFFAOYSA-N -1 1 319.317 2.797 20 0 DFADMM COc1ccc(Br)cc1NC(=O)c1cncc([O-])c1 ZINC000111685118 426055952 /nfs/dbraw/zinc/05/59/52/426055952.db2.gz JXPPDDBOIWGLRM-UHFFFAOYSA-N -1 1 323.146 2.811 20 0 DFADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)ncn3C)c(C)c1 ZINC000074837688 426057760 /nfs/dbraw/zinc/05/77/60/426057760.db2.gz YSFOSHSDFVSSJK-UHFFFAOYSA-N -1 1 315.398 2.991 20 0 DFADMM Cc1cc(C(=O)[N-]c2nnc(Cc3ccccc3F)s2)no1 ZINC000108206958 426012169 /nfs/dbraw/zinc/01/21/69/426012169.db2.gz FRBWAOLCSBHGIF-UHFFFAOYSA-N -1 1 318.333 2.817 20 0 DFADMM O=S(=O)([N-][C@@H]1CC=CCC1)c1sccc1Br ZINC000076308559 426106526 /nfs/dbraw/zinc/10/65/26/426106526.db2.gz IWPZGVSMFJZOBG-MRVPVSSYSA-N -1 1 322.249 2.898 20 0 DFADMM O=C(/C=C/c1c(Cl)nc2ccccn21)[N-]O[C@H]1CCCCO1 ZINC000128258405 426109066 /nfs/dbraw/zinc/10/90/66/426109066.db2.gz XBJPIIJZLDXYSX-NPQIQWPPSA-N -1 1 321.764 2.575 20 0 DFADMM O=C(N[C@@H]1CCCOc2ccc(F)cc21)c1ncccc1[O-] ZINC000338049782 268609580 /nfs/dbraw/zinc/60/95/80/268609580.db2.gz HHBWQHKJNAURMD-GFCCVEGCSA-N -1 1 302.305 2.570 20 0 DFADMM CCSCC[C@@H](C)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000075546334 426077242 /nfs/dbraw/zinc/07/72/42/426077242.db2.gz CRUFPLNYSOEWEK-LLVKDONJSA-N -1 1 319.430 2.939 20 0 DFADMM O=C(N[C@H]1CCCC[C@@H]1n1cccn1)c1c([O-])cccc1F ZINC000127683467 426080460 /nfs/dbraw/zinc/08/04/60/426080460.db2.gz CIDYDUKMQDYEDP-STQMWFEESA-N -1 1 303.337 2.642 20 0 DFADMM Cc1ccc2cccc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)c2n1 ZINC000131885056 426167200 /nfs/dbraw/zinc/16/72/00/426167200.db2.gz UQLCMZLNKSJTDP-UHFFFAOYSA-N -1 1 321.262 2.932 20 0 DFADMM CN(Cc1ccncc1)C(=O)c1ccc(Br)c([O-])c1 ZINC000133003329 426171847 /nfs/dbraw/zinc/17/18/47/426171847.db2.gz WYOFNFUERWMCAM-UHFFFAOYSA-N -1 1 321.174 2.822 20 0 DFADMM CC[C@H](CSC)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000133310275 426172487 /nfs/dbraw/zinc/17/24/87/426172487.db2.gz VZMFXWYOVLIFNU-MRVPVSSYSA-N -1 1 311.831 2.899 20 0 DFADMM CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)cc1 ZINC000078739394 426183818 /nfs/dbraw/zinc/18/38/18/426183818.db2.gz GPNGKVBHKINLAS-UHFFFAOYSA-N -1 1 318.398 2.710 20 0 DFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)c1ccccc1 ZINC000078775975 426186105 /nfs/dbraw/zinc/18/61/05/426186105.db2.gz XKSSDCOWMBNXNC-NSHDSACASA-N -1 1 313.401 2.867 20 0 DFADMM O=C(c1ccc2[nH]nnc2c1)N1CCCC[C@@H]1c1nccs1 ZINC000172214785 426223859 /nfs/dbraw/zinc/22/38/59/426223859.db2.gz HKMKMUZWMSCORQ-CYBMUJFWSA-N -1 1 313.386 2.782 20 0 DFADMM O=C(Nc1nnn[n-]1)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000081773370 426225858 /nfs/dbraw/zinc/22/58/58/426225858.db2.gz NYUYHTJCAPBHBG-UHFFFAOYSA-N -1 1 314.736 2.531 20 0 DFADMM O=C(Nc1nn[n-]n1)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000081773370 426225862 /nfs/dbraw/zinc/22/58/62/426225862.db2.gz NYUYHTJCAPBHBG-UHFFFAOYSA-N -1 1 314.736 2.531 20 0 DFADMM O=C(Nc1cccc(N2CCOC2=O)c1)c1cc(F)ccc1[O-] ZINC000081938291 426226812 /nfs/dbraw/zinc/22/68/12/426226812.db2.gz UVNKTHSERGWYMT-UHFFFAOYSA-N -1 1 316.288 2.740 20 0 DFADMM O=C(Nc1nc2c(s1)C(=O)CCC2)c1cc(F)ccc1[O-] ZINC000081958523 426227612 /nfs/dbraw/zinc/22/76/12/426227612.db2.gz YUIZGZDSWVIOMX-UHFFFAOYSA-N -1 1 306.318 2.759 20 0 DFADMM CCC[C@@H](NC(=O)c1ccc(SC(C)C)cc1)c1nn[n-]n1 ZINC000136716089 426244545 /nfs/dbraw/zinc/24/45/45/426244545.db2.gz OHYCLEPQOIAPFA-CYBMUJFWSA-N -1 1 319.434 2.971 20 0 DFADMM CCC[C@@H](NC(=O)C=Cc1ccccc1Cl)c1nn[n-]n1 ZINC000136679388 426245146 /nfs/dbraw/zinc/24/51/46/426245146.db2.gz BRCOMTBAVOSKLM-IDVQTMNDSA-N -1 1 305.769 2.524 20 0 DFADMM CC[C@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)[C@@H]1CCCO1 ZINC000135220266 426209578 /nfs/dbraw/zinc/20/95/78/426209578.db2.gz JARWYMGENDXJIK-RYUDHWBXSA-N -1 1 313.781 2.742 20 0 DFADMM CCC[C@@H]1CN(C(=O)c2cc(Cl)c([O-])c(OC)c2)CCO1 ZINC000135221627 426210161 /nfs/dbraw/zinc/21/01/61/426210161.db2.gz SZMICCVBMOBNTH-LLVKDONJSA-N -1 1 313.781 2.695 20 0 DFADMM O=C(c1cncc([O-])c1)N1CCC(OCc2ccccc2)CC1 ZINC000171763517 426210658 /nfs/dbraw/zinc/21/06/58/426210658.db2.gz DTAWPOWPWPRLIU-UHFFFAOYSA-N -1 1 312.369 2.609 20 0 DFADMM CCn1c(=S)[n-]nc1[C@H]1CCCN(C(=O)CC2CCC2)C1 ZINC000080076222 426211153 /nfs/dbraw/zinc/21/11/53/426211153.db2.gz RBGQDGRFCFOZKE-LBPRGKRZSA-N -1 1 308.451 2.857 20 0 DFADMM Cc1ccc2c([O-])c(C(=O)N[C@@H](C)c3cccnc3)cnc2n1 ZINC000135283815 426212234 /nfs/dbraw/zinc/21/22/34/426212234.db2.gz FVFCWYCEILXSSB-NSHDSACASA-N -1 1 308.341 2.530 20 0 DFADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@@H](C)c1cccnc1)c2=O ZINC000135283815 426212236 /nfs/dbraw/zinc/21/22/36/426212236.db2.gz FVFCWYCEILXSSB-NSHDSACASA-N -1 1 308.341 2.530 20 0 DFADMM C[C@H](c1cccc(O)c1)N(C)CC(=O)[N-]OCc1ccccc1 ZINC000119483970 426291874 /nfs/dbraw/zinc/29/18/74/426291874.db2.gz BYOXIEPSGCKDLF-CQSZACIVSA-N -1 1 314.385 2.633 20 0 DFADMM COc1ccc(OCCCNC(=O)c2c([O-])cccc2F)cc1 ZINC000120732729 426315278 /nfs/dbraw/zinc/31/52/78/426315278.db2.gz MFBXNWGKABULJS-UHFFFAOYSA-N -1 1 319.332 2.739 20 0 DFADMM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1ccc(C)c(F)c1 ZINC000088795802 426279194 /nfs/dbraw/zinc/27/91/94/426279194.db2.gz GPHKWWNORYWIKI-VIFPVBQESA-N -1 1 312.366 2.778 20 0 DFADMM COc1ccc(C)cc1NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000121656114 426351264 /nfs/dbraw/zinc/35/12/64/426351264.db2.gz RBFOLAMWMBIHHX-UHFFFAOYSA-N -1 1 314.341 2.920 20 0 DFADMM CNC(=O)Nc1cccc(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000093911045 426360006 /nfs/dbraw/zinc/36/00/06/426360006.db2.gz PGQYBOFDZKRZID-UHFFFAOYSA-N -1 1 303.293 2.535 20 0 DFADMM C[C@@H](CNC(=O)c1ccc2ccccc2c1[O-])Cn1ccnc1 ZINC000094167123 426361038 /nfs/dbraw/zinc/36/10/38/426361038.db2.gz GNEFABRDKDZNER-ZDUSSCGKSA-N -1 1 309.369 2.808 20 0 DFADMM CCOc1cc(C)ccc1[N-]S(=O)(=O)CCOC(C)C ZINC000176464661 426384607 /nfs/dbraw/zinc/38/46/07/426384607.db2.gz SFCKBPBQLKBDMS-UHFFFAOYSA-N -1 1 301.408 2.560 20 0 DFADMM CCC[C@@H](NC(=O)C(C)=Cc1cccc(Cl)c1)c1nn[n-]n1 ZINC000122722212 426391124 /nfs/dbraw/zinc/39/11/24/426391124.db2.gz DCDREWCFLICRAJ-AORWBKJGSA-N -1 1 319.796 2.914 20 0 DFADMM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(N2CCCC2)nn1 ZINC000153563454 426392481 /nfs/dbraw/zinc/39/24/81/426392481.db2.gz BIKVHOZAXYWCLB-UHFFFAOYSA-N -1 1 318.764 2.688 20 0 DFADMM CCC[C@@H](NC(=O)C=C(C)c1ccccc1Cl)c1nn[n-]n1 ZINC000176742073 426410007 /nfs/dbraw/zinc/41/00/07/426410007.db2.gz GBYFJNYXMWFQMG-WTNCMQEWSA-N -1 1 319.796 2.914 20 0 DFADMM CCC[C@H](NC(=O)c1csc2c1CC[C@@H](C)C2)c1nn[n-]n1 ZINC000176753956 426411475 /nfs/dbraw/zinc/41/14/75/426411475.db2.gz ACEAHDFZRCQYKZ-SKDRFNHKSA-N -1 1 319.434 2.657 20 0 DFADMM CCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nn[n-]n1 ZINC000176772207 426412242 /nfs/dbraw/zinc/41/22/42/426412242.db2.gz ISCOMGFQAKAYEZ-JTQLQIEISA-N -1 1 314.176 2.778 20 0 DFADMM CCC[C@H](NC(=O)c1cc2c(cc(C)cc2C)[nH]1)c1nn[n-]n1 ZINC000176761046 426412486 /nfs/dbraw/zinc/41/24/86/426412486.db2.gz DWRVLCFGYMPCBJ-LBPRGKRZSA-N -1 1 312.377 2.569 20 0 DFADMM CCC[C@H](NC(=O)CCc1ccc2ccccc2c1)c1nn[n-]n1 ZINC000176791688 426415286 /nfs/dbraw/zinc/41/52/86/426415286.db2.gz MCDDWSDAFITVQZ-INIZCTEOSA-N -1 1 323.400 2.943 20 0 DFADMM CC[C@@H](CSC)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000340974357 269031303 /nfs/dbraw/zinc/03/13/03/269031303.db2.gz QLAZUQXEHGNSHP-VIFPVBQESA-N -1 1 311.831 2.899 20 0 DFADMM CC(C)c1scnc1[N-]S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000341081965 269040991 /nfs/dbraw/zinc/04/09/91/269040991.db2.gz BJSAFNSAJQIKSL-QWRGUYRKSA-N -1 1 317.480 2.901 20 0 DFADMM O=C(Nc1ccc2c(c1)CCC(=O)N2)c1c(F)ccc([O-])c1F ZINC000341269116 269056065 /nfs/dbraw/zinc/05/60/65/269056065.db2.gz BZWQUNKMJLPTJC-UHFFFAOYSA-N -1 1 318.279 2.807 20 0 DFADMM CSc1nc(C)c(CCC(=O)Nc2cscc2C)c(=O)[n-]1 ZINC000154652715 426449580 /nfs/dbraw/zinc/44/95/80/426449580.db2.gz GNULQUCLBXZSSR-UHFFFAOYSA-N -1 1 323.443 2.741 20 0 DFADMM Cc1cc(C[C@@H](C)NC(=O)c2cc(F)cc(Cl)c2[O-])n[nH]1 ZINC000123964384 426463718 /nfs/dbraw/zinc/46/37/18/426463718.db2.gz PGGZWJOONYIONX-SSDOTTSWSA-N -1 1 311.744 2.577 20 0 DFADMM C[C@H](Cc1cccs1)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000101571304 426485131 /nfs/dbraw/zinc/48/51/31/426485131.db2.gz JHAQIVNNQIGIMR-SECBINFHSA-N -1 1 317.382 2.936 20 0 DFADMM CCCc1cc(=O)[n-]c(SCC(=O)c2c(C)noc2C)n1 ZINC000186363592 426512909 /nfs/dbraw/zinc/51/29/09/426512909.db2.gz PXFOOULAYXGSGN-UHFFFAOYSA-N -1 1 307.375 2.715 20 0 DFADMM CN(CC(F)(F)Br)C(=O)c1ccc([O-])cc1F ZINC000288427858 426522997 /nfs/dbraw/zinc/52/29/97/426522997.db2.gz XWKBVWJHXRBDLS-UHFFFAOYSA-N -1 1 312.085 2.591 20 0 DFADMM O=C(NC[C@@H](Cc1ccccc1)c1ccccc1)c1cnn[nH]1 ZINC000177618290 426499640 /nfs/dbraw/zinc/49/96/40/426499640.db2.gz CQIIHJMYDNUORL-MRXNPFEDSA-N -1 1 306.369 2.561 20 0 DFADMM O=S(=O)([N-]CCF)c1ccc(Cl)cc1C(F)(F)F ZINC000280486261 426584797 /nfs/dbraw/zinc/58/47/97/426584797.db2.gz APFDQSNYBWECKT-UHFFFAOYSA-N -1 1 305.680 2.607 20 0 DFADMM CC(C)Oc1cc(CNC(=O)c2c(F)ccc([O-])c2F)ccn1 ZINC000289145637 426592442 /nfs/dbraw/zinc/59/24/42/426592442.db2.gz AQXKVSCTUUKXTB-UHFFFAOYSA-N -1 1 322.311 2.783 20 0 DFADMM CCO[C@H](CCNC(=O)c1c(F)ccc([O-])c1F)C(C)C ZINC000289184048 426599931 /nfs/dbraw/zinc/59/99/31/426599931.db2.gz ALWBGVFZLOLZEF-GFCCVEGCSA-N -1 1 301.333 2.851 20 0 DFADMM C[C@@H](CCO)C1(CNC(=O)c2c(F)ccc([O-])c2F)CCC1 ZINC000289408119 426649972 /nfs/dbraw/zinc/64/99/72/426649972.db2.gz HLXVOIKKODNQBN-JTQLQIEISA-N -1 1 313.344 2.589 20 0 DFADMM CCCC(O)(CCC)CNC(=O)c1c(F)ccc([O-])c1F ZINC000280855701 426671613 /nfs/dbraw/zinc/67/16/13/426671613.db2.gz CXVXOAWENFQWCJ-UHFFFAOYSA-N -1 1 301.333 2.732 20 0 DFADMM O=C(C(=O)N1CCC[C@@H]1Cc1ccccc1)c1ccc([O-])cc1 ZINC000280879673 426676509 /nfs/dbraw/zinc/67/65/09/426676509.db2.gz YOAYYTBDTXFOQW-MRXNPFEDSA-N -1 1 309.365 2.809 20 0 DFADMM O=C(N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)c1cncc([O-])c1 ZINC000280651488 426624545 /nfs/dbraw/zinc/62/45/45/426624545.db2.gz SOEXROBFOZVDEQ-SWLSCSKDSA-N -1 1 300.333 2.992 20 0 DFADMM COc1ccccc1[C@@H](NC(=O)c1cncc([O-])c1)c1ccco1 ZINC000178830291 426702927 /nfs/dbraw/zinc/70/29/27/426702927.db2.gz LKUMSPKPXDGIQB-QGZVFWFLSA-N -1 1 324.336 2.908 20 0 DFADMM O=C([O-])CCN1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000238159979 426710357 /nfs/dbraw/zinc/71/03/57/426710357.db2.gz ANHZVGYINYJXIW-CYBMUJFWSA-N -1 1 301.346 2.738 20 0 DFADMM Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CC[C@H](C(=O)[O-])C1 ZINC000178900751 426716021 /nfs/dbraw/zinc/71/60/21/426716021.db2.gz PMRFDPBGPXJMCV-KBPBESRZSA-N -1 1 318.417 2.852 20 0 DFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC(C)=C(C)C1 ZINC000281874347 426784282 /nfs/dbraw/zinc/78/42/82/426784282.db2.gz RPQVVUXNFJVIDZ-UHFFFAOYSA-N -1 1 303.406 2.970 20 0 DFADMM CCO[C@H](C)c1noc(CSc2nc(C3CC3)cc(=O)[n-]2)n1 ZINC000188145899 426725632 /nfs/dbraw/zinc/72/56/32/426725632.db2.gz OISQUSMKUOOGSI-MRVPVSSYSA-N -1 1 322.390 2.832 20 0 DFADMM Cc1c(=O)[n-]c(SCc2ncccn2)nc1-c1ccccc1 ZINC000188184366 426729196 /nfs/dbraw/zinc/72/91/96/426729196.db2.gz ZWEZDQJPLQGEGM-UHFFFAOYSA-N -1 1 310.382 2.828 20 0 DFADMM CCCN(C)S(=O)(=O)[N-]c1c(C)noc1-c1ccccc1 ZINC000274285429 426737118 /nfs/dbraw/zinc/73/71/18/426737118.db2.gz 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SNFPPIKODVMENL-SPGKTFTMSA-N -1 1 305.324 2.955 20 0 DFADMM COc1cccc(C)c1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000435722414 429160881 /nfs/dbraw/zinc/16/08/81/429160881.db2.gz MYWZVHPQOXSRIL-UHFFFAOYSA-N -1 1 321.354 2.503 20 0 DFADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CC[C@H]1c1ccccc1F ZINC000364087852 429169357 /nfs/dbraw/zinc/16/93/57/429169357.db2.gz CMJUNSCNRRSXTP-HNNXBMFYSA-N -1 1 323.327 2.649 20 0 DFADMM CC(C)CN(C(=O)CN1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-])C(C)C ZINC000455673114 429196523 /nfs/dbraw/zinc/19/65/23/429196523.db2.gz ZJSWKZRVHTUAJG-OAGGEKHMSA-N -1 1 324.465 2.597 20 0 DFADMM CC(C)c1nnc(CCN=c2nc(C(F)(F)F)[n-]s2)s1 ZINC000488722566 429190976 /nfs/dbraw/zinc/19/09/76/429190976.db2.gz OYHVMVJYAAIVEC-UHFFFAOYSA-N -1 1 323.369 2.608 20 0 DFADMM CC[C@@H](C(=O)N[C@H](CC(C)C)C(=O)[O-])N(C)Cc1ccccc1 ZINC000455774550 429211308 /nfs/dbraw/zinc/21/13/08/429211308.db2.gz CPSFDHMTNWQMTF-CVEARBPZSA-N -1 1 320.433 2.513 20 0 DFADMM O=C(Nc1cc(C(F)(F)F)n[nH]1)c1cc2ccccc2cc1[O-] ZINC000436960749 429204171 /nfs/dbraw/zinc/20/41/71/429204171.db2.gz HYNWVSQPPQUJMC-UHFFFAOYSA-N -1 1 321.258 3.540 20 0 DFADMM O=C(NC1(CF)CCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000456057621 429235845 /nfs/dbraw/zinc/23/58/45/429235845.db2.gz CIRBUTMZWSSBIF-UHFFFAOYSA-N -1 1 321.270 2.660 20 0 DFADMM Cc1csc(C[N-]S(=O)(=O)c2c(F)cc(C)cc2F)n1 ZINC000425140697 429237571 /nfs/dbraw/zinc/23/75/71/429237571.db2.gz GLRJKNXKOBAQHH-UHFFFAOYSA-N -1 1 318.370 2.517 20 0 DFADMM COc1cc(C(=O)NCc2ccncc2C)cc(Cl)c1[O-] ZINC000442822487 429237633 /nfs/dbraw/zinc/23/76/33/429237633.db2.gz ORFGKNOZXNXXIW-UHFFFAOYSA-N -1 1 306.749 2.688 20 0 DFADMM Cc1cnc(C(=O)N(C)[C@H](CO)c2ccc(Cl)cc2)c([O-])c1 ZINC000456073201 429238082 /nfs/dbraw/zinc/23/80/82/429238082.db2.gz JATCTXYMZFWARB-CYBMUJFWSA-N -1 1 320.776 2.555 20 0 DFADMM CC[C@@H](CSC)[N-]S(=O)(=O)c1c(F)cc(C)cc1F ZINC000425167615 429241363 /nfs/dbraw/zinc/24/13/63/429241363.db2.gz GEUCOWCSWZPOEA-VIFPVBQESA-N -1 1 309.403 2.693 20 0 DFADMM CCOC[C@@H]([N-]S(=O)(=O)c1c(F)cc(C)cc1F)C(C)C ZINC000425176122 429243323 /nfs/dbraw/zinc/24/33/23/429243323.db2.gz LVVMFIJRKKFVHZ-CYBMUJFWSA-N -1 1 321.389 2.613 20 0 DFADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000456110627 429243384 /nfs/dbraw/zinc/24/33/84/429243384.db2.gz FIAYQQJXFUDERT-YUTCNCBUSA-N -1 1 309.793 2.811 20 0 DFADMM CSCCCC[N-]S(=O)(=O)c1c(F)cc(C)cc1F ZINC000425216420 429246799 /nfs/dbraw/zinc/24/67/99/429246799.db2.gz LIUHJFBQWBCKGD-UHFFFAOYSA-N -1 1 309.403 2.695 20 0 DFADMM C[C@@]1(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)C[C@@H]1F ZINC000425252473 429253260 /nfs/dbraw/zinc/25/32/60/429253260.db2.gz HNZBPIDKPLNRSU-TVQRCGJNSA-N -1 1 310.716 2.517 20 0 DFADMM C[C@@]1(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)C[C@@H]1F ZINC000425252473 429253262 /nfs/dbraw/zinc/25/32/62/429253262.db2.gz HNZBPIDKPLNRSU-TVQRCGJNSA-N -1 1 310.716 2.517 20 0 DFADMM COc1ccc2c(c1)CC[N@H+]([C@H](C)c1nc(C)cc(=O)[n-]1)CC2 ZINC000364709790 429253619 /nfs/dbraw/zinc/25/36/19/429253619.db2.gz PEMZOZSDYKEAFH-CYBMUJFWSA-N -1 1 313.401 2.661 20 0 DFADMM CSc1cccc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c1 ZINC000425295283 429259065 /nfs/dbraw/zinc/25/90/65/429259065.db2.gz FIBKGZIBXCDRDW-LLVKDONJSA-N -1 1 319.386 2.517 20 0 DFADMM CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)[N-]OC/C=C\Cl ZINC000497278286 429323780 /nfs/dbraw/zinc/32/37/80/429323780.db2.gz RGIBWPLEWJQHAF-DANTVBBOSA-N -1 1 320.817 2.728 20 0 DFADMM O=C(C(=O)N1CC2(CCC2)[C@@H]1c1ccco1)c1ccc([O-])cc1 ZINC000456599366 429328020 /nfs/dbraw/zinc/32/80/20/429328020.db2.gz XYVSYNDJINXLRS-INIZCTEOSA-N -1 1 311.337 2.922 20 0 DFADMM CN(Cc1cn2c(n1)CCCC2)C(=O)c1ccc(Cl)cc1[O-] ZINC000365381960 429309687 /nfs/dbraw/zinc/30/96/87/429309687.db2.gz VRCAJDFFACEJCW-UHFFFAOYSA-N -1 1 319.792 2.851 20 0 DFADMM O=C([O-])C[C@@H]1CCCN(C(=O)c2[nH]nc3ccc(Cl)cc32)C1 ZINC000517741872 429395855 /nfs/dbraw/zinc/39/58/55/429395855.db2.gz HIZZGPYDTGGWRY-VIFPVBQESA-N -1 1 321.764 2.543 20 0 DFADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@@H](CCCO)C1 ZINC000457134351 429408645 /nfs/dbraw/zinc/40/86/45/429408645.db2.gz FHXGZHSGYLPTAY-SNVBAGLBSA-N -1 1 317.307 2.646 20 0 DFADMM Cc1ocnc1C(=O)[N-]c1nnc(Cc2ccc(F)cc2)s1 ZINC000518036539 429409187 /nfs/dbraw/zinc/40/91/87/429409187.db2.gz GPPJWHLNWCCAHW-UHFFFAOYSA-N -1 1 318.333 2.817 20 0 DFADMM C[C@H](O[N-]C(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1ccccc1 ZINC000365816949 429378280 /nfs/dbraw/zinc/37/82/80/429378280.db2.gz UPRHACANSAWKDD-ZFWWWQNUSA-N -1 1 316.401 2.587 20 0 DFADMM C[C@H](C1CC1)n1cc([N-]c2nnc(-c3ccccn3)s2)cn1 ZINC000516806005 429382845 /nfs/dbraw/zinc/38/28/45/429382845.db2.gz IPOPDUORMUSEPZ-SNVBAGLBSA-N -1 1 312.402 3.511 20 0 DFADMM COc1ccccc1C[C@H](C)N(C)C(=O)c1ncc(C)cc1[O-] ZINC000427227976 429440292 /nfs/dbraw/zinc/44/02/92/429440292.db2.gz QFYSHYNTLHKHGQ-ZDUSSCGKSA-N -1 1 314.385 2.807 20 0 DFADMM Cc1ccc2nc([N-]S(=O)(=O)c3cc(F)ccc3F)[nH]c2c1 ZINC000427632519 429461139 /nfs/dbraw/zinc/46/11/39/429461139.db2.gz WMHQHJPBNAZKMT-UHFFFAOYSA-N -1 1 323.324 2.950 20 0 DFADMM Cc1cnc(C(=O)N[C@H](C)c2noc(-c3ccccc3)n2)c([O-])c1 ZINC000427751569 429469032 /nfs/dbraw/zinc/46/90/32/429469032.db2.gz GCYLXXCRBZVTJK-LLVKDONJSA-N -1 1 324.340 2.637 20 0 DFADMM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)c(OC)c1 ZINC000426811608 429417422 /nfs/dbraw/zinc/41/74/22/429417422.db2.gz ULYCHQXJBAYYLL-INIZCTEOSA-N -1 1 319.332 2.758 20 0 DFADMM O=C(C=Cc1cc2ccccc2o1)NC1(c2nn[n-]n2)CCCC1 ZINC000491845197 429418618 /nfs/dbraw/zinc/41/86/18/429418618.db2.gz NGRSZUMNTZCLPE-FPLPWBNLSA-N -1 1 323.356 2.545 20 0 DFADMM O=C(c1cc(=O)c2ccccc2[n-]1)N1Cc2ccccc2CO1 ZINC000366162738 429428205 /nfs/dbraw/zinc/42/82/05/429428205.db2.gz VAGCIKQYVBFCSW-UHFFFAOYSA-N -1 1 306.321 2.616 20 0 DFADMM O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ncccc1[O-] ZINC000427137843 429436262 /nfs/dbraw/zinc/43/62/62/429436262.db2.gz UHSFTLVBXBKAOG-VHSXEESVSA-N -1 1 302.296 2.886 20 0 DFADMM O=C(N[C@@H](Cc1ccccn1)c1ccccc1)c1ncccc1[O-] ZINC000427838995 429473900 /nfs/dbraw/zinc/47/39/00/429473900.db2.gz TWWKMVCIASVGMG-INIZCTEOSA-N -1 1 319.364 2.896 20 0 DFADMM CC[C@H](c1ccccc1)N(CC(=O)OC)Cc1ncccc1[O-] ZINC000520557265 429520283 /nfs/dbraw/zinc/52/02/83/429520283.db2.gz GHJXMOPKXJXYLW-MRXNPFEDSA-N -1 1 314.385 2.914 20 0 DFADMM COC(=O)c1cccc2nc(NC(=O)C[C@@H]3CC[C@H]4C[C@H]43)[nH]c21 ZINC000450188324 429578236 /nfs/dbraw/zinc/57/82/36/429578236.db2.gz MZATYFBFDGPGOB-JBLDHEPKSA-N -1 1 313.357 2.724 20 0 DFADMM CC(C)c1nc(CN2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)n[nH]1 ZINC000521070732 429536854 /nfs/dbraw/zinc/53/68/54/429536854.db2.gz GMAROUZAJGJNHN-KBPBESRZSA-N -1 1 314.389 2.718 20 0 DFADMM COc1cc2nc(-c3ccc4cc[nH]c4n3)[n-]c(=O)c2cc1OC ZINC000429564752 429616957 /nfs/dbraw/zinc/61/69/57/429616957.db2.gz QFUHHGLTHUBFMZ-UHFFFAOYSA-N -1 1 322.324 2.896 20 0 DFADMM CCC1(c2ccccc2)CN(C(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000458217724 429602428 /nfs/dbraw/zinc/60/24/28/429602428.db2.gz PHQYPRIZSQHGRA-UHFFFAOYSA-N -1 1 309.365 2.765 20 0 DFADMM CCC[C@@H](NC(=O)C=Cc1ccc(C2CC2)cc1)c1nn[n-]n1 ZINC000493014528 429668284 /nfs/dbraw/zinc/66/82/84/429668284.db2.gz DGOQZUBCAZHKBZ-UJNBGNEJSA-N -1 1 311.389 2.748 20 0 DFADMM CC(C)c1ccc(/C=C\CC(=O)NC2(c3nn[n-]n3)CC2)cc1 ZINC000430312324 429675930 /nfs/dbraw/zinc/67/59/30/429675930.db2.gz BFSPZYZCWVAKPR-ARJAWSKDSA-N -1 1 311.389 2.532 20 0 DFADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)C1(CCF)CC1 ZINC000450707761 429682975 /nfs/dbraw/zinc/68/29/75/429682975.db2.gz QNIHQTGJVSIMJT-UHFFFAOYSA-N -1 1 324.743 2.909 20 0 DFADMM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)C1(CCF)CC1 ZINC000450707761 429682979 /nfs/dbraw/zinc/68/29/79/429682979.db2.gz QNIHQTGJVSIMJT-UHFFFAOYSA-N -1 1 324.743 2.909 20 0 DFADMM CN(CCCC(=O)[O-])Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000430664715 429707435 /nfs/dbraw/zinc/70/74/35/429707435.db2.gz WUXUUPIHEHHIAT-UHFFFAOYSA-N -1 1 313.401 2.658 20 0 DFADMM COC(=O)c1csc(CSc2nc(C3CC3)cc(=O)[n-]2)n1 ZINC000450910142 429727372 /nfs/dbraw/zinc/72/73/72/429727372.db2.gz PGXQLTIKOKRNRE-UHFFFAOYSA-N -1 1 323.399 2.595 20 0 DFADMM CC(C)OCCC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000450964711 429740233 /nfs/dbraw/zinc/74/02/33/429740233.db2.gz CBNGNZQCHXNNOL-UHFFFAOYSA-N -1 1 315.366 2.665 20 0 DFADMM O=C(C=CC1CCOCC1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000493377664 429749565 /nfs/dbraw/zinc/74/95/65/429749565.db2.gz BHSLFDPTHQTWTM-LZCJLJQNSA-N -1 1 313.357 2.704 20 0 DFADMM CCc1[nH]nc([N-]S(=O)(=O)Cc2c(C)cccc2C)c1C ZINC000451009027 429750541 /nfs/dbraw/zinc/75/05/41/429750541.db2.gz YYSPZVIPYYQJQU-UHFFFAOYSA-N -1 1 307.419 2.839 20 0 DFADMM C[C@@H]([N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1)C(C)(F)F ZINC000451069238 429761614 /nfs/dbraw/zinc/76/16/14/429761614.db2.gz KOJLXGJNHSSORH-SSDOTTSWSA-N -1 1 315.744 2.942 20 0 DFADMM Cc1cccnc1C1(CNC(=O)c2cc(F)ccc2[O-])CC1 ZINC000368245983 429816138 /nfs/dbraw/zinc/81/61/38/429816138.db2.gz WDFUONFZXVGSLB-UHFFFAOYSA-N -1 1 300.333 2.696 20 0 DFADMM CCC(=O)C[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451404944 429823563 /nfs/dbraw/zinc/82/35/63/429823563.db2.gz NZHXLOMNPHKAEY-UHFFFAOYSA-N -1 1 317.819 2.812 20 0 DFADMM COC(=O)c1c[n-]c(SCCN2CCCc3ccccc32)n1 ZINC000432663536 429834621 /nfs/dbraw/zinc/83/46/21/429834621.db2.gz JIJLMLMKNSEYIS-UHFFFAOYSA-N -1 1 317.414 2.741 20 0 DFADMM CCOC(=O)c1cnc(C(C)=Cc2sccc2OC)[n-]c1=O ZINC000432707627 429834998 /nfs/dbraw/zinc/83/49/98/429834998.db2.gz YTFQUMRQBCQCDZ-CLFYSBASSA-N -1 1 320.370 2.990 20 0 DFADMM O=c1[nH]nc(SCCc2ccccc2F)n1C[C@@H]1CCCO1 ZINC000432724444 429835817 /nfs/dbraw/zinc/83/58/17/429835817.db2.gz GBQBSGINMCPLKV-LBPRGKRZSA-N -1 1 323.393 2.637 20 0 DFADMM Cc1ccccc1-c1nc(=NCc2n[nH]c(C(C)C)n2)s[n-]1 ZINC000528031580 429838641 /nfs/dbraw/zinc/83/86/41/429838641.db2.gz WLVSEZJTHDZOCT-UHFFFAOYSA-N -1 1 314.418 2.789 20 0 DFADMM O=c1cc(C[N@H+]2CCCO[C@@H]3CCC[C@@H]32)c2ccc(O)cc2o1 ZINC000368460902 429852321 /nfs/dbraw/zinc/85/23/21/429852321.db2.gz DGNUJQCJIFJTDX-JKSUJKDBSA-N -1 1 315.369 2.642 20 0 DFADMM CC(=O)Nc1ccc([O-])c(-c2nc([C@@H]3CC[C@@H](C)O3)no2)c1 ZINC000528239427 429865045 /nfs/dbraw/zinc/86/50/45/429865045.db2.gz NUFCPAAPFZXBMN-OQPBUACISA-N -1 1 303.318 2.641 20 0 DFADMM CCC[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1Cl)OC ZINC000451639424 429865257 /nfs/dbraw/zinc/86/52/57/429865257.db2.gz MEEUBZYBUBKFFL-VIFPVBQESA-N -1 1 309.790 2.573 20 0 DFADMM CC[C@H]([N-]S(=O)(=O)c1sccc1Cl)[C@H]1CCCO1 ZINC000451337884 429814363 /nfs/dbraw/zinc/81/43/63/429814363.db2.gz HJIRZUJXEDIJGY-VHSXEESVSA-N -1 1 309.840 2.637 20 0 DFADMM CCC=C(C)C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000368651761 429882806 /nfs/dbraw/zinc/88/28/06/429882806.db2.gz HWGAYIVVUROTLI-GXWOQWCDSA-N -1 1 323.759 2.554 20 0 DFADMM CC/C=C(\C)C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000368651761 429882807 /nfs/dbraw/zinc/88/28/07/429882807.db2.gz HWGAYIVVUROTLI-GXWOQWCDSA-N -1 1 323.759 2.554 20 0 DFADMM O=S(=O)([N-]CC[C@@H]1CCCOC1)c1cc2ccccc2o1 ZINC000528451572 429890225 /nfs/dbraw/zinc/89/02/25/429890225.db2.gz UKXHPAAALYQRRK-LBPRGKRZSA-N -1 1 309.387 2.528 20 0 DFADMM C[C@H]([N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)C(C)(F)F ZINC000451688016 429871555 /nfs/dbraw/zinc/87/15/55/429871555.db2.gz JCEDQEIFWWROHP-DTWKUNHWSA-N -1 1 305.337 2.775 20 0 DFADMM C[C@H]([N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)C(C)(F)F ZINC000451688017 429871591 /nfs/dbraw/zinc/87/15/91/429871591.db2.gz JCEDQEIFWWROHP-IUCAKERBSA-N -1 1 305.337 2.775 20 0 DFADMM O=C([N-]OCC(F)F)[C@@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000529030070 429953042 /nfs/dbraw/zinc/95/30/42/429953042.db2.gz NOHBIYZIRLCJHA-LBPRGKRZSA-N -1 1 318.751 2.617 20 0 DFADMM COCC1(C[N-]S(=O)(=O)c2cc3ccccc3o2)CCCC1 ZINC000560313667 430031078 /nfs/dbraw/zinc/03/10/78/430031078.db2.gz DWLATTCRFQMFBO-UHFFFAOYSA-N -1 1 323.414 2.918 20 0 DFADMM O=c1c2c([n-]n1C[C@@H]1COc3ccccc3O1)CCCCCC2 ZINC000634589953 430044816 /nfs/dbraw/zinc/04/48/16/430044816.db2.gz MYDANLFBHSZTSQ-KGLIPLIRSA-N -1 1 314.385 2.995 20 0 DFADMM CCc1c(-c2cccc(C)c2)[n-]n(-c2nccc(OC)n2)c1=O ZINC000634589784 430045093 /nfs/dbraw/zinc/04/50/93/430045093.db2.gz IHZBXTYMXMDIGC-ZDUSSCGKSA-N -1 1 310.357 2.571 20 0 DFADMM CC(F)(F)C[N-]S(=O)(=O)N1CCC2(CCCCC2)CC1 ZINC000559130099 429997990 /nfs/dbraw/zinc/99/79/90/429997990.db2.gz DRHFVBKFNREYGJ-UHFFFAOYSA-N -1 1 310.410 2.522 20 0 DFADMM Cc1nc(S(=O)(=O)[N-][C@]2(C)C[C@H]2c2ccccc2)sc1C ZINC000559129731 429998937 /nfs/dbraw/zinc/99/89/37/429998937.db2.gz CRIIXEXMNFXAEY-DZGCQCFKSA-N -1 1 322.455 2.984 20 0 DFADMM O=C([O-])c1ccc(CN2CCN(Cc3ccsc3)CC2)cc1 ZINC000574157792 430015841 /nfs/dbraw/zinc/01/58/41/430015841.db2.gz BFTHZTUNTCSYDM-UHFFFAOYSA-N -1 1 316.426 2.764 20 0 DFADMM COC1(CS(=O)(=O)[N-]c2ccc3c(c2)CCCC3=O)CCC1 ZINC000634792945 430114889 /nfs/dbraw/zinc/11/48/89/430114889.db2.gz OPUJZHGQRJSUML-UHFFFAOYSA-N -1 1 323.414 2.516 20 0 DFADMM CCc1c(-c2cccc(C)c2)[n-]n(-c2nccnc2OC)c1=O ZINC000634610548 430051748 /nfs/dbraw/zinc/05/17/48/430051748.db2.gz ZQPWZGRYYKLTMC-ZDUSSCGKSA-N -1 1 310.357 2.571 20 0 DFADMM CCCc1ncc(C(=O)Nc2[nH]c(C)nc2C(=O)OCC)s1 ZINC000562258459 430113101 /nfs/dbraw/zinc/11/31/01/430113101.db2.gz PJZXJPIKAJFZMV-UHFFFAOYSA-N -1 1 322.390 2.556 20 0 DFADMM CCc1c(=O)n(CC(C)(C)O)[n-]c1-c1ccc(F)cc1Cl ZINC000634635045 430061557 /nfs/dbraw/zinc/06/15/57/430061557.db2.gz SMDZLTXYRNVYIH-SNVBAGLBSA-N -1 1 312.772 2.823 20 0 DFADMM COc1cccc(Cl)c1[N-]S(=O)(=O)C[C@@H](OC)C1CC1 ZINC000634664115 430069048 /nfs/dbraw/zinc/06/90/48/430069048.db2.gz OPIRETGEQHNGMC-GFCCVEGCSA-N -1 1 319.810 2.515 20 0 DFADMM COc1ccc(C(C)(C)NC(=O)c2cncc([O-])c2)cc1F ZINC000529849289 430076637 /nfs/dbraw/zinc/07/66/37/430076637.db2.gz FLOLIKINKNIAKE-UHFFFAOYSA-N -1 1 304.321 2.600 20 0 DFADMM O=C([O-])COCCNc1ccnc2cc(C(F)(F)F)ccc21 ZINC000634964540 430177144 /nfs/dbraw/zinc/17/71/44/430177144.db2.gz CMQSKNVKSGITPY-UHFFFAOYSA-N -1 1 314.263 2.767 20 0 DFADMM CCOc1cc(C(=O)Nc2cc(C(C)C)[nH]n2)cc(Cl)c1[O-] ZINC000578329993 430120062 /nfs/dbraw/zinc/12/00/62/430120062.db2.gz XNSBOOZCAIELNF-UHFFFAOYSA-N -1 1 323.780 3.543 20 0 DFADMM O=S(=O)([N-]C[C@@H]1CCCCS1)c1cc2ccccc2o1 ZINC000542238860 430206331 /nfs/dbraw/zinc/20/63/31/430206331.db2.gz OJVOWHRTTCEHML-LBPRGKRZSA-N -1 1 311.428 2.997 20 0 DFADMM Cc1onc(CN(C[C@H]2CCCO2)C2CCCC2)c1C(=O)[O-] ZINC000565485993 430213897 /nfs/dbraw/zinc/21/38/97/430213897.db2.gz HPWWKPJTFFGOLR-CYBMUJFWSA-N -1 1 308.378 2.605 20 0 DFADMM CCn1c2ccccc2nc1CN1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000566226657 430249661 /nfs/dbraw/zinc/24/96/61/430249661.db2.gz KXOGSCRAKQTVII-STQMWFEESA-N -1 1 301.390 2.599 20 0 DFADMM Cn1nc(C(=O)[O-])cc1CNC(C)(C)c1cccc(Cl)c1 ZINC000635309954 430250765 /nfs/dbraw/zinc/25/07/65/430250765.db2.gz WGVIBRLARAMKFP-UHFFFAOYSA-N -1 1 307.781 2.797 20 0 DFADMM Cn1nc(C(=O)[O-])cc1CN[C@H]1CCCc2ccc(Cl)cc21 ZINC000635315109 430252340 /nfs/dbraw/zinc/25/23/40/430252340.db2.gz QFPRYVKWKMRBOE-AWEZNQCLSA-N -1 1 319.792 2.939 20 0 DFADMM COc1ccc(-c2nc(CN(C)C[C@H](C)C(=O)[O-])cs2)cc1 ZINC000566359738 430253326 /nfs/dbraw/zinc/25/33/26/430253326.db2.gz WMFVLZXRRIOBOH-NSHDSACASA-N -1 1 320.414 2.971 20 0 DFADMM O=C([O-])[C@H](C1CC1)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000566361766 430253812 /nfs/dbraw/zinc/25/38/12/430253812.db2.gz NFXASNPBPDMPON-KGLIPLIRSA-N -1 1 313.756 2.716 20 0 DFADMM CCOc1cc(CN2CCC[C@H](C(=O)[O-])C2)cc(Cl)c1O ZINC000635322480 430255600 /nfs/dbraw/zinc/25/56/00/430255600.db2.gz IFNAGDOWYLBJGY-NSHDSACASA-N -1 1 313.781 2.741 20 0 DFADMM CC(C)(C)[C@@H](NC(=O)CCCc1nn[n-]n1)c1ccc(F)cc1 ZINC000635335097 430257722 /nfs/dbraw/zinc/25/77/22/430257722.db2.gz GCCBUGOBVDLUOI-HNNXBMFYSA-N -1 1 319.384 2.565 20 0 DFADMM Cc1cnc(SCc2nc([C@@H](C)OCC(C)C)no2)[n-]c1=O ZINC000566498161 430265978 /nfs/dbraw/zinc/26/59/78/430265978.db2.gz VSRACAWPRBVEMG-SNVBAGLBSA-N -1 1 324.406 2.900 20 0 DFADMM CCC(CC)[C@@H](NC(=O)CCCc1nn[n-]n1)c1cccs1 ZINC000635406899 430270541 /nfs/dbraw/zinc/27/05/41/430270541.db2.gz NROLMKQGRPEZTK-OAHLLOKOSA-N -1 1 321.450 2.878 20 0 DFADMM CSc1nc(CNC(=O)C2=CCC(C)(C)CC2)cc(=O)[n-]1 ZINC000640655015 430226975 /nfs/dbraw/zinc/22/69/75/430226975.db2.gz HRUWMMUUKXBYRV-UHFFFAOYSA-N -1 1 307.419 2.657 20 0 DFADMM CSc1nc(CNC(=O)[C@@H]2CCC(C)=C(C)C2)cc(=O)[n-]1 ZINC000640654869 430227372 /nfs/dbraw/zinc/22/73/72/430227372.db2.gz CKUCOHSXQFEDML-LLVKDONJSA-N -1 1 307.419 2.657 20 0 DFADMM CSc1nc(CNC(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)cc(=O)[n-]1 ZINC000640656315 430227535 /nfs/dbraw/zinc/22/75/35/430227535.db2.gz XTLXJFOHYQRNTJ-OUAUKWLOSA-N -1 1 309.435 2.593 20 0 DFADMM CSc1nc(CNC(=O)c2cc(C)sc2C)cc(=O)[n-]1 ZINC000640658007 430229063 /nfs/dbraw/zinc/22/90/63/430229063.db2.gz LHRMRZNQBRLHKD-UHFFFAOYSA-N -1 1 309.416 2.512 20 0 DFADMM CSc1nc(CNC(=O)C[C@@H](C)c2ccccc2)cc(=O)[n-]1 ZINC000640657338 430229085 /nfs/dbraw/zinc/22/90/85/430229085.db2.gz GLEXZNIKWRRRBM-LLVKDONJSA-N -1 1 317.414 2.714 20 0 DFADMM C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000565832993 430230284 /nfs/dbraw/zinc/23/02/84/430230284.db2.gz GLJXZUBGEFNPBK-UHIISALHSA-N -1 1 324.808 2.710 20 0 DFADMM O=C([O-])CCN(Cc1nc2ccccc2s1)C[C@H]1CCCO1 ZINC000582365234 430294598 /nfs/dbraw/zinc/29/45/98/430294598.db2.gz NCZOKCLIRPJZNT-GFCCVEGCSA-N -1 1 320.414 2.752 20 0 DFADMM Cc1nc2ccccc2nc1CN(C)[C@@H](CC(C)C)C(=O)[O-] ZINC000568062528 430310883 /nfs/dbraw/zinc/31/08/83/430310883.db2.gz GKWLEGPMACBVID-INIZCTEOSA-N -1 1 301.390 2.869 20 0 DFADMM Cc1cccc([C@H](NC(=O)CCCc2nn[n-]n2)C(C)(C)C)c1 ZINC000635651659 430335994 /nfs/dbraw/zinc/33/59/94/430335994.db2.gz FPDYHLLXTGUHCJ-INIZCTEOSA-N -1 1 315.421 2.734 20 0 DFADMM Cc1cc(NC(=O)[C@H]2CCCCN2C(C)C)ccc1C(=O)[O-] ZINC000582845387 430339753 /nfs/dbraw/zinc/33/97/53/430339753.db2.gz RVASLBGIPYCTEA-OAHLLOKOSA-N -1 1 304.390 2.895 20 0 DFADMM CC1(C)CC(C[N-]S(=O)(=O)c2ccc(Br)o2)C1 ZINC000547717802 430415155 /nfs/dbraw/zinc/41/51/55/430415155.db2.gz DFHVULDLCAPZGI-UHFFFAOYSA-N -1 1 322.224 2.757 20 0 DFADMM Cc1c(Cl)cc(NC(=O)CCCc2nn[n-]n2)cc1Cl ZINC000635943036 430417709 /nfs/dbraw/zinc/41/77/09/430417709.db2.gz XHZODRXQVQYWLY-UHFFFAOYSA-N -1 1 314.176 2.776 20 0 DFADMM O=S(=O)([N-][C@@H]1CCO[C@H](C2CC2)C1)c1cc2ccccc2o1 ZINC000547322696 430384367 /nfs/dbraw/zinc/38/43/67/430384367.db2.gz FXIQLTKQMKRGNF-HIFRSBDPSA-N -1 1 321.398 2.669 20 0 DFADMM CC(C)c1ccccc1NC(=O)CN1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000568883080 430402921 /nfs/dbraw/zinc/40/29/21/430402921.db2.gz OFHVPVMNUJSEJZ-UKRRQHHQSA-N -1 1 318.417 2.791 20 0 DFADMM CSc1nc(CNC(=O)c2ccc(C(C)C)cc2)cc(=O)[n-]1 ZINC000585125831 430480686 /nfs/dbraw/zinc/48/06/86/430480686.db2.gz HBDBDXSIHJNEHC-UHFFFAOYSA-N -1 1 317.414 2.958 20 0 DFADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)CCC(C)C)n[n-]1 ZINC000548056343 430440866 /nfs/dbraw/zinc/44/08/66/430440866.db2.gz YLSXIXATNZDABA-GFCCVEGCSA-N -1 1 324.425 2.621 20 0 DFADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)CCC(C)C)[n-]1 ZINC000548056343 430440870 /nfs/dbraw/zinc/44/08/70/430440870.db2.gz YLSXIXATNZDABA-GFCCVEGCSA-N -1 1 324.425 2.621 20 0 DFADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)CCC(C)C)n1 ZINC000548056343 430440873 /nfs/dbraw/zinc/44/08/73/430440873.db2.gz YLSXIXATNZDABA-GFCCVEGCSA-N -1 1 324.425 2.621 20 0 DFADMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1c(O)cccc1Cl ZINC000641687262 430443366 /nfs/dbraw/zinc/44/33/66/430443366.db2.gz LOJBXSVXTUBDRG-JTQLQIEISA-N -1 1 321.826 2.848 20 0 DFADMM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(F)F ZINC000641701410 430445746 /nfs/dbraw/zinc/44/57/46/430445746.db2.gz HFGVZHMEMPJYBU-RXMQYKEDSA-N -1 1 321.242 2.776 20 0 DFADMM C[C@@H]([N-]S(=O)(=O)Cc1ccccc1C(F)(F)F)C(F)F ZINC000641700834 430445870 /nfs/dbraw/zinc/44/58/70/430445870.db2.gz BJFJKVOXGZDQME-SSDOTTSWSA-N -1 1 317.279 2.778 20 0 DFADMM CN(CCc1cnccn1)Cc1cc(C(=O)[O-])ccc1Cl ZINC000569347946 430446006 /nfs/dbraw/zinc/44/60/06/430446006.db2.gz XWKWXRWXDRWNQM-UHFFFAOYSA-N -1 1 305.765 2.503 20 0 DFADMM CC1(C)C[C@H](c2ccccc2)N(C(=O)CCCc2nn[n-]n2)C1 ZINC000636058246 430451886 /nfs/dbraw/zinc/45/18/86/430451886.db2.gz NLEOKVVINFEPDH-CQSZACIVSA-N -1 1 313.405 2.522 20 0 DFADMM CC(C)N1CCCC[C@@H]1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000584172511 430466086 /nfs/dbraw/zinc/46/60/86/430466086.db2.gz SRGOPRLFPMPNJT-MRXNPFEDSA-N -1 1 318.417 2.905 20 0 DFADMM Cc1ccc(NC(=O)CN2CCC[C@H](CC(=O)[O-])CC2)cc1 ZINC000641793486 430474634 /nfs/dbraw/zinc/47/46/34/430474634.db2.gz JMIMHYLINLDBRG-AWEZNQCLSA-N -1 1 304.390 2.510 20 0 DFADMM Cc1ccccc1NC(=O)CN1CCC[C@H](CC(=O)[O-])CC1 ZINC000641795206 430474903 /nfs/dbraw/zinc/47/49/03/430474903.db2.gz ZXMWOMNELHILAI-AWEZNQCLSA-N -1 1 304.390 2.510 20 0 DFADMM Cc1cccc(C)c1[C@H]1CCCN1C(=O)CCCc1nn[n-]n1 ZINC000636157418 430476689 /nfs/dbraw/zinc/47/66/89/430476689.db2.gz MMEPEGHOOJWXRJ-CQSZACIVSA-N -1 1 313.405 2.503 20 0 DFADMM CN(C(=O)CCCc1nn[n-]n1)C1CC(C)(C)CC(C)(C)C1 ZINC000636172883 430479668 /nfs/dbraw/zinc/47/96/68/430479668.db2.gz HBPZMDOFIFFTSJ-UHFFFAOYSA-N -1 1 307.442 2.586 20 0 DFADMM C[C@H]1CCN(Cc2ccn(-c3ccc(F)cc3)n2)C[C@@H]1C(=O)[O-] ZINC000569810334 430488796 /nfs/dbraw/zinc/48/87/96/430488796.db2.gz JKILSWRGRPROHO-LRDDRELGSA-N -1 1 317.364 2.554 20 0 DFADMM Cc1oc(C2CC2)nc1C(=O)[N-]c1nnc([C@H]2CCCO2)s1 ZINC000636356898 430523268 /nfs/dbraw/zinc/52/32/68/430523268.db2.gz IWBGQCLVMBISSP-SECBINFHSA-N -1 1 320.374 2.816 20 0 DFADMM O=C(Nc1cc(CCc2ccccc2)[nH]n1)c1ccccc1[O-] ZINC000607190162 430559107 /nfs/dbraw/zinc/55/91/07/430559107.db2.gz RCVMQDKIAALZDC-UHFFFAOYSA-N -1 1 307.353 3.153 20 0 DFADMM Cc1nnsc1CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000570849586 430582713 /nfs/dbraw/zinc/58/27/13/430582713.db2.gz RLZKTCQLEWNOMS-UHFFFAOYSA-N -1 1 324.431 2.516 20 0 DFADMM CSc1ccc([O-])c(C(=O)Nc2cc([C@@H]3C[C@@H]3C)[nH]n2)c1 ZINC000616445768 430586382 /nfs/dbraw/zinc/58/63/82/430586382.db2.gz XMSCMMXJKZVZCY-WCBMZHEXSA-N -1 1 303.387 3.213 20 0 DFADMM COc1cc(C(=O)Nc2cc([C@@H]3C[C@@H]3C)[nH]n2)cc(Cl)c1[O-] ZINC000616443917 430586664 /nfs/dbraw/zinc/58/66/64/430586664.db2.gz SRQCJBGXHPXEIS-IONNQARKSA-N -1 1 321.764 3.153 20 0 DFADMM COCCCN(C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000570933930 430591627 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/nfs/dbraw/zinc/25/19/54/546251954.db2.gz UBJLLYDSGUQVCB-VHSXEESVSA-N -1 1 319.373 2.688 20 0 DFADMM CC(C)(C)C(=O)CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684877764 546296961 /nfs/dbraw/zinc/29/69/61/546296961.db2.gz WMNHGPZWZPLYSZ-UHFFFAOYSA-N -1 1 303.280 2.756 20 0 DFADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H](C)c1ccc(C(C)C)cc1 ZINC000685489736 546359019 /nfs/dbraw/zinc/35/90/19/546359019.db2.gz UIMCXWQTJYLSBG-SNVBAGLBSA-N -1 1 323.418 2.728 20 0 DFADMM COc1cnccc1[C@@H](C)NC(=O)c1c(F)ccc([O-])c1F ZINC000685477651 546359410 /nfs/dbraw/zinc/35/94/10/546359410.db2.gz LFQNITWHBSQWLG-MRVPVSSYSA-N -1 1 308.284 2.565 20 0 DFADMM Cc1noc(C)c1[C@H](C)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000737536223 598870559 /nfs/dbraw/zinc/87/05/59/598870559.db2.gz FYPPGTGFCFMASI-LURJTMIESA-N -1 1 319.756 2.693 20 0 DFADMM Cc1noc(C)c1[C@H](C)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000737536223 598870560 /nfs/dbraw/zinc/87/05/60/598870560.db2.gz FYPPGTGFCFMASI-LURJTMIESA-N -1 1 319.756 2.693 20 0 DFADMM CN(c1c2ccccc2nnc1-c1nnn[n-]1)C1CCCCC1 ZINC000736841692 598933474 /nfs/dbraw/zinc/93/34/74/598933474.db2.gz IIPGKQPHFABYJG-UHFFFAOYSA-N -1 1 309.377 2.579 20 0 DFADMM CN(c1c2ccccc2nnc1-c1nn[n-]n1)C1CCCCC1 ZINC000736841692 598933476 /nfs/dbraw/zinc/93/34/76/598933476.db2.gz IIPGKQPHFABYJG-UHFFFAOYSA-N -1 1 309.377 2.579 20 0 DFADMM C[C@H]1CCC[C@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000736252818 598957970 /nfs/dbraw/zinc/95/79/70/598957970.db2.gz LKNYUJUSBGXKSV-QWRGUYRKSA-N -1 1 309.377 2.801 20 0 DFADMM C[C@H]1CCC[C@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000736252818 598957971 /nfs/dbraw/zinc/95/79/71/598957971.db2.gz LKNYUJUSBGXKSV-QWRGUYRKSA-N -1 1 309.377 2.801 20 0 DFADMM CN(Cc1ccsc1)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736829552 598956107 /nfs/dbraw/zinc/95/61/07/598956107.db2.gz GQVQGAHBOZVWBP-UHFFFAOYSA-N -1 1 323.385 2.508 20 0 DFADMM CN(Cc1ccsc1)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736829552 598956109 /nfs/dbraw/zinc/95/61/09/598956109.db2.gz GQVQGAHBOZVWBP-UHFFFAOYSA-N -1 1 323.385 2.508 20 0 DFADMM CC(C)c1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000735929397 598983155 /nfs/dbraw/zinc/98/31/55/598983155.db2.gz YGRAWWXFZOQJSI-UHFFFAOYSA-N -1 1 308.345 2.637 20 0 DFADMM CC(C)c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000735929397 598983156 /nfs/dbraw/zinc/98/31/56/598983156.db2.gz YGRAWWXFZOQJSI-UHFFFAOYSA-N -1 1 308.345 2.637 20 0 DFADMM CC(C)C1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000820047264 599053929 /nfs/dbraw/zinc/05/39/29/599053929.db2.gz WVZPJELZZQVMJZ-UHFFFAOYSA-N -1 1 312.830 2.849 20 0 DFADMM CC(C)C1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000820047264 599053931 /nfs/dbraw/zinc/05/39/31/599053931.db2.gz WVZPJELZZQVMJZ-UHFFFAOYSA-N -1 1 312.830 2.849 20 0 DFADMM CS[C@@H]1CC[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000821949163 599073021 /nfs/dbraw/zinc/07/30/21/599073021.db2.gz FRMMYPPFKXHZGL-JGVFFNPUSA-N -1 1 310.814 2.611 20 0 DFADMM CS[C@@H]1CC[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000821949163 599073024 /nfs/dbraw/zinc/07/30/24/599073024.db2.gz FRMMYPPFKXHZGL-JGVFFNPUSA-N -1 1 310.814 2.611 20 0 DFADMM CCCC[C@H](CCC)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736438945 599138550 /nfs/dbraw/zinc/13/85/50/599138550.db2.gz PRPGENXLWJYPLH-LBPRGKRZSA-N -1 1 303.366 2.777 20 0 DFADMM CCCC[C@H](CCC)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736438945 599138552 /nfs/dbraw/zinc/13/85/52/599138552.db2.gz PRPGENXLWJYPLH-LBPRGKRZSA-N -1 1 303.366 2.777 20 0 DFADMM Cc1ccc(C(C)C)cc1OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737316502 599150859 /nfs/dbraw/zinc/15/08/59/599150859.db2.gz DHBNNFBQWOOCER-UHFFFAOYSA-N -1 1 323.356 2.913 20 0 DFADMM Cc1ccc(C(C)C)cc1OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737316502 599150861 /nfs/dbraw/zinc/15/08/61/599150861.db2.gz DHBNNFBQWOOCER-UHFFFAOYSA-N -1 1 323.356 2.913 20 0 DFADMM CCCCCC[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736445716 599151906 /nfs/dbraw/zinc/15/19/06/599151906.db2.gz MNSRLVJQUCGRCM-NSHDSACASA-N -1 1 303.366 2.777 20 0 DFADMM CCCCCC[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736445716 599151908 /nfs/dbraw/zinc/15/19/08/599151908.db2.gz MNSRLVJQUCGRCM-NSHDSACASA-N -1 1 303.366 2.777 20 0 DFADMM Clc1ccc(N2CCC[C@H]2c2ccco2)nc1-c1nnn[n-]1 ZINC000737574543 599169689 /nfs/dbraw/zinc/16/96/89/599169689.db2.gz HCMJFIJOOXXSRE-JTQLQIEISA-N -1 1 316.752 2.850 20 0 DFADMM Clc1ccc(N2CCC[C@H]2c2ccco2)nc1-c1nn[n-]n1 ZINC000737574543 599169690 /nfs/dbraw/zinc/16/96/90/599169690.db2.gz HCMJFIJOOXXSRE-JTQLQIEISA-N -1 1 316.752 2.850 20 0 DFADMM CCC[C@](C)(NC(=O)[O-])C(=O)Nc1cccc(Cl)c1O ZINC000739300266 603310010 /nfs/dbraw/zinc/31/00/10/603310010.db2.gz YSZPABCUUYOORG-ZDUSSCGKSA-N -1 1 300.742 2.811 20 0 DFADMM CN(CCC(=O)[O-])C(=O)c1cc(Cl)c2ccccc2c1O ZINC000818439939 597013338 /nfs/dbraw/zinc/01/33/38/597013338.db2.gz PJSHSFFPBFFWQZ-UHFFFAOYSA-N -1 1 307.733 2.746 20 0 DFADMM O=C([O-])C[C@@H]1CCCN(Cn2ccc(-c3cccs3)n2)C1 ZINC000819385190 597042916 /nfs/dbraw/zinc/04/29/16/597042916.db2.gz BGJOETSEAYSXOR-LBPRGKRZSA-N -1 1 305.403 2.756 20 0 DFADMM O=C([O-])c1ccc(COC(=O)Cc2[nH]nc3ccccc32)cc1 ZINC000819170468 597314925 /nfs/dbraw/zinc/31/49/25/597314925.db2.gz UXCBNGUJCHVTNQ-UHFFFAOYSA-N -1 1 310.309 2.547 20 0 DFADMM CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N1CC[C@@H](C(=O)[O-])C1 ZINC000818136112 597525328 /nfs/dbraw/zinc/52/53/28/597525328.db2.gz JTIJTKSOFQUYDZ-MELADBBJSA-N -1 1 318.417 2.934 20 0 DFADMM COc1ccc(-c2nc(CN3CC[C@@H](C(=O)[O-])C3)cs2)cc1 ZINC000178894633 597531600 /nfs/dbraw/zinc/53/16/00/597531600.db2.gz PNNKOJPAYXWOPT-GFCCVEGCSA-N -1 1 318.398 2.725 20 0 DFADMM FCCOc1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000822737486 607319138 /nfs/dbraw/zinc/31/91/38/607319138.db2.gz XEKQPVFUNZINCM-UHFFFAOYSA-N -1 1 319.365 2.889 20 0 DFADMM CC[C@@H](Cc1ccccc1)N(C)c1cccc(-c2nnn[n-]2)n1 ZINC000820913160 607327106 /nfs/dbraw/zinc/32/71/06/607327106.db2.gz CYYIIQAXUCTBPZ-AWEZNQCLSA-N -1 1 308.389 2.719 20 0 DFADMM CC[C@@H](Cc1ccccc1)N(C)c1cccc(-c2nn[n-]n2)n1 ZINC000820913160 607327107 /nfs/dbraw/zinc/32/71/07/607327107.db2.gz CYYIIQAXUCTBPZ-AWEZNQCLSA-N -1 1 308.389 2.719 20 0 DFADMM C[C@H](CC(=O)[O-])NCc1csc(CCc2ccccc2)n1 ZINC000820088798 598216309 /nfs/dbraw/zinc/21/63/09/598216309.db2.gz GNMKHNGANFYNCI-GFCCVEGCSA-N -1 1 304.415 2.881 20 0 DFADMM CC(C)(C)c1nc(Sc2cccc(F)c2-c2nn[n-]n2)n[nH]1 ZINC000735654928 598235654 /nfs/dbraw/zinc/23/56/54/598235654.db2.gz LFEXQHUXZMBTJO-UHFFFAOYSA-N -1 1 319.369 2.573 20 0 DFADMM CC(C)c1ccc([C@H](C)Nc2nccnc2-c2nnn[n-]2)cc1 ZINC000735924408 598340588 /nfs/dbraw/zinc/34/05/88/598340588.db2.gz SMVQHEDRFSOHIQ-NSHDSACASA-N -1 1 309.377 2.953 20 0 DFADMM CC(C)c1ccc([C@H](C)Nc2nccnc2-c2nn[n-]n2)cc1 ZINC000735924408 598340590 /nfs/dbraw/zinc/34/05/90/598340590.db2.gz SMVQHEDRFSOHIQ-NSHDSACASA-N -1 1 309.377 2.953 20 0 DFADMM CCCCOc1cccc(Nc2nccnc2-c2nnn[n-]2)c1 ZINC000736463416 598347022 /nfs/dbraw/zinc/34/70/22/598347022.db2.gz NALJQHIAACWIOM-UHFFFAOYSA-N -1 1 311.349 2.579 20 0 DFADMM CCCCOc1cccc(Nc2nccnc2-c2nn[n-]n2)c1 ZINC000736463416 598347023 /nfs/dbraw/zinc/34/70/23/598347023.db2.gz NALJQHIAACWIOM-UHFFFAOYSA-N -1 1 311.349 2.579 20 0 DFADMM Cc1ccccc1Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000737427319 598504187 /nfs/dbraw/zinc/50/41/87/598504187.db2.gz CNQNOZUQISTWIB-UHFFFAOYSA-N -1 1 317.352 2.538 20 0 DFADMM C[C@@H]1CCC[C@@H](N(C)c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000736247155 598572804 /nfs/dbraw/zinc/57/28/04/598572804.db2.gz AOGJQPGLTMYSCS-NXEZZACHSA-N -1 1 306.801 2.930 20 0 DFADMM C[C@@H]1CCC[C@@H](N(C)c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000736247155 598572805 /nfs/dbraw/zinc/57/28/05/598572805.db2.gz AOGJQPGLTMYSCS-NXEZZACHSA-N -1 1 306.801 2.930 20 0 DFADMM Clc1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cn1 ZINC000737575375 598576671 /nfs/dbraw/zinc/57/66/71/598576671.db2.gz JHVVEAXHGSQOLP-UHFFFAOYSA-N -1 1 322.159 2.576 20 0 DFADMM Clc1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cn1 ZINC000737575375 598576673 /nfs/dbraw/zinc/57/66/73/598576673.db2.gz JHVVEAXHGSQOLP-UHFFFAOYSA-N -1 1 322.159 2.576 20 0 DFADMM CC[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1nc(C)cs1 ZINC000736367941 599429507 /nfs/dbraw/zinc/42/95/07/599429507.db2.gz DLZJEJFYBHZQSM-VIFPVBQESA-N -1 1 301.379 2.590 20 0 DFADMM CC[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1nc(C)cs1 ZINC000736367941 599429510 /nfs/dbraw/zinc/42/95/10/599429510.db2.gz DLZJEJFYBHZQSM-VIFPVBQESA-N -1 1 301.379 2.590 20 0 DFADMM c1cc(-c2nnn[n-]2)oc1CNc1ccc(OCC2CC2)cc1 ZINC000823763103 599438585 /nfs/dbraw/zinc/43/85/85/599438585.db2.gz ZUFXXBFIWOVZBK-UHFFFAOYSA-N -1 1 311.345 2.861 20 0 DFADMM c1cc(-c2nn[n-]n2)oc1CNc1ccc(OCC2CC2)cc1 ZINC000823763103 599438587 /nfs/dbraw/zinc/43/85/87/599438587.db2.gz ZUFXXBFIWOVZBK-UHFFFAOYSA-N -1 1 311.345 2.861 20 0 DFADMM Fc1cccc(F)c1[C@H]1C[C@@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000737661671 599439325 /nfs/dbraw/zinc/43/93/25/599439325.db2.gz OOXCFMIYSUPTLB-UFBFGSQYSA-N -1 1 314.299 2.508 20 0 DFADMM Fc1cccc(F)c1[C@H]1C[C@@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000737661671 599439328 /nfs/dbraw/zinc/43/93/28/599439328.db2.gz OOXCFMIYSUPTLB-UFBFGSQYSA-N -1 1 314.299 2.508 20 0 DFADMM CCc1ccc([C@@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)o1 ZINC000736690259 599440527 /nfs/dbraw/zinc/44/05/27/599440527.db2.gz ZFJKGRKUNOXNKP-ZDUSSCGKSA-N -1 1 310.361 2.759 20 0 DFADMM CCc1ccc([C@@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)o1 ZINC000736690259 599440530 /nfs/dbraw/zinc/44/05/30/599440530.db2.gz ZFJKGRKUNOXNKP-ZDUSSCGKSA-N -1 1 310.361 2.759 20 0 DFADMM C[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1cccc(O)c1 ZINC000820461008 599516437 /nfs/dbraw/zinc/51/64/37/599516437.db2.gz DMEFVKQUIBQPJX-LURJTMIESA-N -1 1 322.781 2.855 20 0 DFADMM C[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1cccc(O)c1 ZINC000820461008 599516439 /nfs/dbraw/zinc/51/64/39/599516439.db2.gz DMEFVKQUIBQPJX-LURJTMIESA-N -1 1 322.781 2.855 20 0 DFADMM CC[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccncc1 ZINC000820925076 599573794 /nfs/dbraw/zinc/57/37/94/599573794.db2.gz CXWSKYRFDDRICC-NSHDSACASA-N -1 1 315.768 2.873 20 0 DFADMM CC[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccncc1 ZINC000820925076 599573797 /nfs/dbraw/zinc/57/37/97/599573797.db2.gz CXWSKYRFDDRICC-NSHDSACASA-N -1 1 315.768 2.873 20 0 DFADMM CC(C)C[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000820068866 599686642 /nfs/dbraw/zinc/68/66/42/599686642.db2.gz VIGZLDJJNNYODH-QMMMGPOBSA-N -1 1 312.830 2.849 20 0 DFADMM CC(C)C[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000820068866 599686643 /nfs/dbraw/zinc/68/66/43/599686643.db2.gz VIGZLDJJNNYODH-QMMMGPOBSA-N -1 1 312.830 2.849 20 0 DFADMM CO[C@]1(C)C[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1(C)C ZINC000821678985 599688400 /nfs/dbraw/zinc/68/84/00/599688400.db2.gz VKZQKSFIAQGIAR-LKFCYVNXSA-N -1 1 322.800 2.531 20 0 DFADMM CO[C@]1(C)C[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1(C)C ZINC000821678985 599688401 /nfs/dbraw/zinc/68/84/01/599688401.db2.gz VKZQKSFIAQGIAR-LKFCYVNXSA-N -1 1 322.800 2.531 20 0 DFADMM CCC1(C)CCN(CC(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC000736928999 599718290 /nfs/dbraw/zinc/71/82/90/599718290.db2.gz HYZRXAXDWLCKLV-UHFFFAOYSA-N -1 1 304.390 2.835 20 0 DFADMM CC[C@H](C)[C@@H](NC(=O)CN1CCC2(CCCCC2)CC1)C(=O)[O-] ZINC000736879450 599853377 /nfs/dbraw/zinc/85/33/77/599853377.db2.gz QNLBNSYVPLFXRT-GOEBONIOSA-N -1 1 324.465 2.648 20 0 DFADMM O=C([O-])CN(C(=O)c1cc(=O)c2ccccc2[nH]1)c1ccccc1 ZINC000324511366 600197407 /nfs/dbraw/zinc/19/74/07/600197407.db2.gz UHWSBLQXIKYIIO-UHFFFAOYSA-N -1 1 322.320 2.672 20 0 DFADMM O=C([O-])[C@@H]1CC12CCN(Cn1ccc(-c3ccsc3)n1)CC2 ZINC000739536659 600280092 /nfs/dbraw/zinc/28/00/92/600280092.db2.gz OBWPXXXELBDSIJ-ZDUSSCGKSA-N -1 1 317.414 2.756 20 0 DFADMM CC[C@@H]1CCCN(CC(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC000736939467 600319294 /nfs/dbraw/zinc/31/92/94/600319294.db2.gz OJJKKJBBRANUIJ-CYBMUJFWSA-N -1 1 304.390 2.835 20 0 DFADMM O=C([O-])[C@H]1CN(C(=O)c2c(O)cccc2Cl)c2ccccc21 ZINC000739613978 600366342 /nfs/dbraw/zinc/36/63/42/600366342.db2.gz NLKPPPBYKFEHAQ-JTQLQIEISA-N -1 1 317.728 2.874 20 0 DFADMM CC(C)N(CCC(=O)[O-])CC(=O)Nc1cccc2c1N=S=N2 ZINC000314630902 600394494 /nfs/dbraw/zinc/39/44/94/600394494.db2.gz YIAQSXWBRACZTP-UHFFFAOYSA-N -1 1 322.390 2.537 20 0 DFADMM C[C@@H](C(=O)Nc1cc(C(=O)[O-])ccc1F)N1CCCCCC1 ZINC000736217633 600404636 /nfs/dbraw/zinc/40/46/36/600404636.db2.gz ZELRDXRDBSWPGI-NSHDSACASA-N -1 1 308.353 2.727 20 0 DFADMM O=C([O-])[C@@H](NCc1cccc2c1OCO2)c1cccc(Cl)c1 ZINC000739500589 600427769 /nfs/dbraw/zinc/42/77/69/600427769.db2.gz PYJXJLGHJWUFBA-AWEZNQCLSA-N -1 1 319.744 2.984 20 0 DFADMM CCCOc1ncccc1CN[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737035119 600429009 /nfs/dbraw/zinc/42/90/09/600429009.db2.gz GLLBPABJJKLCMD-OAHLLOKOSA-N -1 1 318.348 2.925 20 0 DFADMM O=C([O-])C1(NCC(=O)N2CCC[C@H]3CCCC[C@H]32)CCCCC1 ZINC000739308708 600460528 /nfs/dbraw/zinc/46/05/28/600460528.db2.gz VMJZEMWYIJKJHE-HUUCEWRRSA-N -1 1 322.449 2.545 20 0 DFADMM CCCCCCN(C)CC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000736984319 600483680 /nfs/dbraw/zinc/48/36/80/600483680.db2.gz WEVNAGCTISTENA-UHFFFAOYSA-N -1 1 310.369 2.975 20 0 DFADMM Cc1c(NC(=O)c2nnc3ccccc3c2O)cccc1C(=O)[O-] ZINC000738306702 600483734 /nfs/dbraw/zinc/48/37/34/600483734.db2.gz ZXPQKRLTQYIJMN-UHFFFAOYSA-N -1 1 323.308 2.594 20 0 DFADMM CC(C)N(CCC(=O)[O-])CN1C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000826946578 600712982 /nfs/dbraw/zinc/71/29/82/600712982.db2.gz CCYQAGXWOOZLSN-CQSZACIVSA-N -1 1 324.808 2.756 20 0 DFADMM C/C(=C/CSc1nc(C=Cc2ccc(C)o2)n[nH]1)C(=O)[O-] ZINC000825792399 600727323 /nfs/dbraw/zinc/72/73/23/600727323.db2.gz DPJHVSHXYYOTKE-LZWBOMALSA-N -1 1 305.359 3.000 20 0 DFADMM C/C(=C\CSc1nc(-c2cc(F)cc(F)c2)n[nH]1)C(=O)[O-] ZINC000825792761 600729191 /nfs/dbraw/zinc/72/91/91/600729191.db2.gz IMXQMECFWNEQEL-FARCUNLSSA-N -1 1 311.313 2.873 20 0 DFADMM COC(=O)c1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000831384836 600731274 /nfs/dbraw/zinc/73/12/74/600731274.db2.gz CZURZQGUAAOVRU-HNNXBMFYSA-N -1 1 317.316 2.528 20 0 DFADMM CC(C)Oc1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)cn1 ZINC000827054611 600738828 /nfs/dbraw/zinc/73/88/28/600738828.db2.gz LYUUCXKRQAFICB-INIZCTEOSA-N -1 1 318.348 2.923 20 0 DFADMM C[C@@H]1C[C@@H](C)CN([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000828162716 600792831 /nfs/dbraw/zinc/79/28/31/600792831.db2.gz 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-1 1 310.342 2.662 20 0 DFADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)s1)[C@H]1CCCC[C@@H]1C ZINC000821160629 606547423 /nfs/dbraw/zinc/54/74/23/606547423.db2.gz NQTYLVLWWUQCDU-QWRGUYRKSA-N -1 1 319.434 2.969 20 0 DFADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)s1)[C@H]1CCCC[C@@H]1C ZINC000821160629 606547424 /nfs/dbraw/zinc/54/74/24/606547424.db2.gz NQTYLVLWWUQCDU-QWRGUYRKSA-N -1 1 319.434 2.969 20 0 DFADMM CC(C)(C)[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819906730 606551207 /nfs/dbraw/zinc/55/12/07/606551207.db2.gz JSOMVAUTTOMZGM-LLVKDONJSA-N -1 1 305.407 2.579 20 0 DFADMM CC(C)(C)[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819906730 606551209 /nfs/dbraw/zinc/55/12/09/606551209.db2.gz JSOMVAUTTOMZGM-LLVKDONJSA-N -1 1 305.407 2.579 20 0 DFADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC2(CC2)c2ccccc21 ZINC000823483962 606570338 /nfs/dbraw/zinc/57/03/38/606570338.db2.gz QEZQMWGNVJEALR-UHFFFAOYSA-N -1 1 323.381 2.620 20 0 DFADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC2(CC2)c2ccccc21 ZINC000823483962 606570339 /nfs/dbraw/zinc/57/03/39/606570339.db2.gz QEZQMWGNVJEALR-UHFFFAOYSA-N -1 1 323.381 2.620 20 0 DFADMM CC1(C)CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000820595311 606572559 /nfs/dbraw/zinc/57/25/59/606572559.db2.gz HESMSFRRAPTJDX-UHFFFAOYSA-N -1 1 305.407 2.581 20 0 DFADMM CC1(C)CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000820595311 606572561 /nfs/dbraw/zinc/57/25/61/606572561.db2.gz HESMSFRRAPTJDX-UHFFFAOYSA-N -1 1 305.407 2.581 20 0 DFADMM CCCCCC[C@H](C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821049221 606651765 /nfs/dbraw/zinc/65/17/65/606651765.db2.gz IZPUHHHMTKCMEE-LBPRGKRZSA-N -1 1 317.393 2.911 20 0 DFADMM CCCCCC[C@H](C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821049221 606651766 /nfs/dbraw/zinc/65/17/66/606651766.db2.gz IZPUHHHMTKCMEE-LBPRGKRZSA-N -1 1 317.393 2.911 20 0 DFADMM CCC[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821039622 606872525 /nfs/dbraw/zinc/87/25/25/606872525.db2.gz FNISRTCWPAGPQQ-JTQLQIEISA-N -1 1 305.407 2.581 20 0 DFADMM CCC[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821039622 606872527 /nfs/dbraw/zinc/87/25/27/606872527.db2.gz FNISRTCWPAGPQQ-JTQLQIEISA-N -1 1 305.407 2.581 20 0 DFADMM FC1(F)CC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000822736477 606881653 /nfs/dbraw/zinc/88/16/53/606881653.db2.gz FENLJLJNHULSKZ-SCSAIBSYSA-N -1 1 306.729 2.576 20 0 DFADMM FC1(F)CC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000822736477 606881655 /nfs/dbraw/zinc/88/16/55/606881655.db2.gz FENLJLJNHULSKZ-SCSAIBSYSA-N -1 1 306.729 2.576 20 0 DFADMM FC1(F)CC[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000822736592 606881719 /nfs/dbraw/zinc/88/17/19/606881719.db2.gz HQJPGDAAQCOKQT-ZCFIWIBFSA-N -1 1 300.700 2.515 20 0 DFADMM FC1(F)CC[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000822736592 606881720 /nfs/dbraw/zinc/88/17/20/606881720.db2.gz HQJPGDAAQCOKQT-ZCFIWIBFSA-N -1 1 300.700 2.515 20 0 DFADMM c1coc(-c2cccc(NCc3ccc(-c4nnn[n-]4)o3)c2)n1 ZINC000826517327 607822280 /nfs/dbraw/zinc/82/22/80/607822280.db2.gz YSHJDZBHXMMIJO-UHFFFAOYSA-N -1 1 308.301 2.727 20 0 DFADMM c1coc(-c2cccc(NCc3ccc(-c4nn[n-]n4)o3)c2)n1 ZINC000826517327 607822281 /nfs/dbraw/zinc/82/22/81/607822281.db2.gz YSHJDZBHXMMIJO-UHFFFAOYSA-N -1 1 308.301 2.727 20 0 DFADMM Cc1cccc2nc(COc3cccc(F)c3-c3nnn[n-]3)cn21 ZINC000826305075 607865362 /nfs/dbraw/zinc/86/53/62/607865362.db2.gz JPZOJGQLJJLKAQ-UHFFFAOYSA-N -1 1 324.319 2.541 20 0 DFADMM Cc1cccc2nc(COc3cccc(F)c3-c3nn[n-]n3)cn21 ZINC000826305075 607865363 /nfs/dbraw/zinc/86/53/63/607865363.db2.gz JPZOJGQLJJLKAQ-UHFFFAOYSA-N -1 1 324.319 2.541 20 0 DFADMM Fc1cccc(Oc2ncnc3ccccc32)c1-c1nnn[n-]1 ZINC000826377999 607867013 /nfs/dbraw/zinc/86/70/13/607867013.db2.gz QEDOYQQIWKUSQK-UHFFFAOYSA-N -1 1 308.276 2.741 20 0 DFADMM Fc1cccc(Oc2ncnc3ccccc32)c1-c1nn[n-]n1 ZINC000826377999 607867014 /nfs/dbraw/zinc/86/70/14/607867014.db2.gz QEDOYQQIWKUSQK-UHFFFAOYSA-N -1 1 308.276 2.741 20 0 DFADMM CC1(C)CN(c2cccc(-c3nnn[n-]3)n2)[C@@H]1c1ccccc1 ZINC000824813476 607897314 /nfs/dbraw/zinc/89/73/14/607897314.db2.gz ZSGGKVDHYKGJMX-OAHLLOKOSA-N -1 1 306.373 2.849 20 0 DFADMM CC1(C)CN(c2cccc(-c3nn[n-]n3)n2)[C@@H]1c1ccccc1 ZINC000824813476 607897315 /nfs/dbraw/zinc/89/73/15/607897315.db2.gz ZSGGKVDHYKGJMX-OAHLLOKOSA-N -1 1 306.373 2.849 20 0 DFADMM O=Cc1ccc(Oc2cccc(-c3nnn[n-]3)n2)c(Cl)c1 ZINC000826483833 607897836 /nfs/dbraw/zinc/89/78/36/607897836.db2.gz BIZJLYRYCCBLMG-UHFFFAOYSA-N -1 1 301.693 2.520 20 0 DFADMM O=Cc1ccc(Oc2cccc(-c3nn[n-]n3)n2)c(Cl)c1 ZINC000826483833 607897837 /nfs/dbraw/zinc/89/78/37/607897837.db2.gz BIZJLYRYCCBLMG-UHFFFAOYSA-N -1 1 301.693 2.520 20 0 DFADMM Fc1ccc(CCN(c2cccc(-c3nnn[n-]3)n2)C2CC2)cc1 ZINC000826374240 607902532 /nfs/dbraw/zinc/90/25/32/607902532.db2.gz RJAGYQWSBSOYDD-UHFFFAOYSA-N -1 1 324.363 2.612 20 0 DFADMM Fc1ccc(CCN(c2cccc(-c3nn[n-]n3)n2)C2CC2)cc1 ZINC000826374240 607902533 /nfs/dbraw/zinc/90/25/33/607902533.db2.gz RJAGYQWSBSOYDD-UHFFFAOYSA-N -1 1 324.363 2.612 20 0 DFADMM COc1ccc(C[C@@H](C)CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826191872 607968102 /nfs/dbraw/zinc/96/81/02/607968102.db2.gz SEOVWXSUVAZFJD-GFCCVEGCSA-N -1 1 324.388 2.561 20 0 DFADMM COc1ccc(C[C@@H](C)CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826191872 607968103 /nfs/dbraw/zinc/96/81/03/607968103.db2.gz SEOVWXSUVAZFJD-GFCCVEGCSA-N -1 1 324.388 2.561 20 0 DFADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCCC12CCCCC2 ZINC000826472422 608009619 /nfs/dbraw/zinc/00/96/19/608009619.db2.gz KFVLJPFNWWMQHD-UHFFFAOYSA-N -1 1 317.418 2.867 20 0 DFADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCC12CCCCC2 ZINC000826472422 608009620 /nfs/dbraw/zinc/00/96/20/608009620.db2.gz KFVLJPFNWWMQHD-UHFFFAOYSA-N -1 1 317.418 2.867 20 0 DFADMM C[C@H]1CCc2ccccc2[C@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000824969005 608099678 /nfs/dbraw/zinc/09/96/78/608099678.db2.gz RZQFSCPBZQQETG-ZBEGNZNMSA-N -1 1 306.373 2.997 20 0 DFADMM C[C@H]1CCc2ccccc2[C@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000824969005 608099679 /nfs/dbraw/zinc/09/96/79/608099679.db2.gz RZQFSCPBZQQETG-ZBEGNZNMSA-N -1 1 306.373 2.997 20 0 DFADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N1CC[C@H](C2CC2)C1 ZINC000826522501 608151915 /nfs/dbraw/zinc/15/19/15/608151915.db2.gz DLKHGVPNGDQHBC-LBPRGKRZSA-N -1 1 306.373 2.651 20 0 DFADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N1CC[C@H](C2CC2)C1 ZINC000826522501 608151917 /nfs/dbraw/zinc/15/19/17/608151917.db2.gz DLKHGVPNGDQHBC-LBPRGKRZSA-N -1 1 306.373 2.651 20 0 DFADMM COc1ccc(Nc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826210163 608168682 /nfs/dbraw/zinc/16/86/82/608168682.db2.gz HCYDNWSNLRDUKQ-UHFFFAOYSA-N -1 1 308.754 2.729 20 0 DFADMM COc1ccc(Nc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826210163 608168684 /nfs/dbraw/zinc/16/86/84/608168684.db2.gz HCYDNWSNLRDUKQ-UHFFFAOYSA-N -1 1 308.754 2.729 20 0 DFADMM Oc1ccc(Sc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826511578 608177738 /nfs/dbraw/zinc/17/77/38/608177738.db2.gz WHLHKPFZSIUGRL-UHFFFAOYSA-N -1 1 311.779 2.833 20 0 DFADMM Oc1ccc(Sc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826511578 608177739 /nfs/dbraw/zinc/17/77/39/608177739.db2.gz WHLHKPFZSIUGRL-UHFFFAOYSA-N -1 1 311.779 2.833 20 0 DFADMM Clc1nsc(N2CCC[C@H]3CCC[C@H]32)c1-c1nnn[n-]1 ZINC000826353934 608186472 /nfs/dbraw/zinc/18/64/72/608186472.db2.gz JSEAUFUWCPFECB-HTQZYQBOSA-N -1 1 310.814 2.746 20 0 DFADMM Clc1nsc(N2CCC[C@H]3CCC[C@H]32)c1-c1nn[n-]n1 ZINC000826353934 608186473 /nfs/dbraw/zinc/18/64/73/608186473.db2.gz JSEAUFUWCPFECB-HTQZYQBOSA-N -1 1 310.814 2.746 20 0 DFADMM Cc1ccncc1[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826315556 608334512 /nfs/dbraw/zinc/33/45/12/608334512.db2.gz MNQJKXMNZGRLCK-VIFPVBQESA-N -1 1 315.358 2.550 20 0 DFADMM Cc1ccncc1[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826315556 608334514 /nfs/dbraw/zinc/33/45/14/608334514.db2.gz MNQJKXMNZGRLCK-VIFPVBQESA-N -1 1 315.358 2.550 20 0 DFADMM CSc1cccc(NCc2ccnc(-c3nnn[n-]3)c2)c1C ZINC000826230676 608390656 /nfs/dbraw/zinc/39/06/56/608390656.db2.gz FFAHIFDQVYPQQV-UHFFFAOYSA-N -1 1 312.402 2.904 20 0 DFADMM CSc1cccc(NCc2ccnc(-c3nn[n-]n3)c2)c1C ZINC000826230676 608390659 /nfs/dbraw/zinc/39/06/59/608390659.db2.gz FFAHIFDQVYPQQV-UHFFFAOYSA-N -1 1 312.402 2.904 20 0 DFADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(Cl)s1 ZINC000824656496 608396852 /nfs/dbraw/zinc/39/68/52/608396852.db2.gz KYPZLSBUKYAAGI-ZCFIWIBFSA-N -1 1 307.770 2.545 20 0 DFADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(Cl)s1 ZINC000824656496 608396853 /nfs/dbraw/zinc/39/68/53/608396853.db2.gz KYPZLSBUKYAAGI-ZCFIWIBFSA-N -1 1 307.770 2.545 20 0 DFADMM CC[C@H](CSC)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000825128169 608416438 /nfs/dbraw/zinc/41/64/38/608416438.db2.gz ROEYGURFEFNFHL-RXMQYKEDSA-N -1 1 304.832 2.530 20 0 DFADMM CC[C@H](CSC)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000825128169 608416439 /nfs/dbraw/zinc/41/64/39/608416439.db2.gz ROEYGURFEFNFHL-RXMQYKEDSA-N -1 1 304.832 2.530 20 0 DFADMM Cc1ccccc1[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC000826305717 608418261 /nfs/dbraw/zinc/41/82/61/608418261.db2.gz GUILKUOIAYEAQZ-OAHLLOKOSA-N -1 1 309.377 2.774 20 0 DFADMM Cc1ccccc1[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC000826305717 608418263 /nfs/dbraw/zinc/41/82/63/608418263.db2.gz GUILKUOIAYEAQZ-OAHLLOKOSA-N -1 1 309.377 2.774 20 0 DFADMM FC(F)(F)Cc1cccc(Nc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826367728 608426765 /nfs/dbraw/zinc/42/67/65/608426765.db2.gz LPZZEVJBWBCTHJ-UHFFFAOYSA-N -1 1 321.266 2.505 20 0 DFADMM FC(F)(F)Cc1cccc(Nc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826367728 608426767 /nfs/dbraw/zinc/42/67/67/608426767.db2.gz LPZZEVJBWBCTHJ-UHFFFAOYSA-N -1 1 321.266 2.505 20 0 DFADMM CC(C)c1nnc(NCc2ccc(-c3nn[n-]n3)s2)s1 ZINC000824364541 609265666 /nfs/dbraw/zinc/26/56/66/609265666.db2.gz KWALEJNTLYBBIQ-UHFFFAOYSA-N -1 1 307.408 2.515 20 0 DFADMM C[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1cncc(F)c1 ZINC000824655536 609386390 /nfs/dbraw/zinc/38/63/90/609386390.db2.gz DGQWZNNWLBYRRM-SSDOTTSWSA-N -1 1 319.731 2.622 20 0 DFADMM C[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1cncc(F)c1 ZINC000824655536 609386392 /nfs/dbraw/zinc/38/63/92/609386392.db2.gz DGQWZNNWLBYRRM-SSDOTTSWSA-N -1 1 319.731 2.622 20 0 DFADMM C[C@H]1CC[C@]2(CCN(c3snc(Cl)c3-c3nn[n-]n3)C2)C1 ZINC000824919093 609390219 /nfs/dbraw/zinc/39/02/19/609390219.db2.gz RRDNEIHCDDQSSD-SDBXPKJASA-N -1 1 324.841 2.993 20 0 DFADMM C[C@H]1CC[C@]2(CCN(c3snc(Cl)c3-c3nnn[n-]3)C2)C1 ZINC000824919093 609390218 /nfs/dbraw/zinc/39/02/18/609390218.db2.gz RRDNEIHCDDQSSD-SDBXPKJASA-N -1 1 324.841 2.993 20 0 DFADMM CN(C[C@@H]1CC=CCC1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825907672 609594602 /nfs/dbraw/zinc/59/46/02/609594602.db2.gz AUIJIWNNABFAMV-MRVPVSSYSA-N -1 1 310.814 2.769 20 0 DFADMM CN(C[C@H]1CC=CCC1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000825908521 609594565 /nfs/dbraw/zinc/59/45/65/609594565.db2.gz JABWUQZMKYOHSG-JTQLQIEISA-N -1 1 304.785 2.708 20 0 DFADMM CN(C[C@H]1CC=CCC1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000825908521 609594566 /nfs/dbraw/zinc/59/45/66/609594566.db2.gz JABWUQZMKYOHSG-JTQLQIEISA-N -1 1 304.785 2.708 20 0 DFADMM CN(C[C@@H]1CC=CCC1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825907672 609594603 /nfs/dbraw/zinc/59/46/03/609594603.db2.gz AUIJIWNNABFAMV-MRVPVSSYSA-N -1 1 310.814 2.769 20 0 DFADMM CC(C)(C)[C@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000824079341 609601992 /nfs/dbraw/zinc/60/19/92/609601992.db2.gz OVPLVUZPXGPFRC-VIFPVBQESA-N -1 1 306.801 2.788 20 0 DFADMM CC(C)(C)[C@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000824079341 609601995 /nfs/dbraw/zinc/60/19/95/609601995.db2.gz OVPLVUZPXGPFRC-VIFPVBQESA-N -1 1 306.801 2.788 20 0 DFADMM Cc1cc(C)cc([C@@H]2CCN(c3cccc(-c4nnn[n-]4)n3)C2)c1 ZINC000826264537 609602679 /nfs/dbraw/zinc/60/26/79/609602679.db2.gz RODIBFCHCSHFRE-CQSZACIVSA-N -1 1 320.400 2.872 20 0 DFADMM Cc1cc(C)cc([C@@H]2CCN(c3cccc(-c4nn[n-]n4)n3)C2)c1 ZINC000826264537 609602680 /nfs/dbraw/zinc/60/26/80/609602680.db2.gz RODIBFCHCSHFRE-CQSZACIVSA-N -1 1 320.400 2.872 20 0 DFADMM CC(C)(C)OC(=O)NCCc1nc(-c2ccc([O-])cc2F)no1 ZINC000278329937 214093568 /nfs/dbraw/zinc/09/35/68/214093568.db2.gz ZQAAWHVVCHJHRL-UHFFFAOYSA-N -1 1 323.324 2.649 20 0 DFADMM CCCc1cc(=O)[n-]c(SCc2nnc(C)n2CCC)n1 ZINC000162225674 197554026 /nfs/dbraw/zinc/55/40/26/197554026.db2.gz XFJCNWAUKVJZDB-UHFFFAOYSA-N -1 1 307.423 2.737 20 0 DFADMM CCO[C@@H]1C[C@@H](NC(=O)c2ccc([O-])cc2F)C12CCCC2 ZINC000181245361 199270868 /nfs/dbraw/zinc/27/08/68/199270868.db2.gz SLOQSNSMCWAERN-HUUCEWRRSA-N -1 1 307.365 2.999 20 0 DFADMM C[C@@H]1COCC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000278442344 214156349 /nfs/dbraw/zinc/15/63/49/214156349.db2.gz HRWNOPKFABTOBY-LDYMZIIASA-N -1 1 303.280 2.566 20 0 DFADMM COC(=O)c1cccnc1CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000413005541 295667791 /nfs/dbraw/zinc/66/77/91/295667791.db2.gz MUSRYECPPLZKFR-UHFFFAOYSA-N -1 1 317.370 2.534 20 0 DFADMM COC(=O)C[C@H](C)SCc1cc(=O)oc2cc([O-])ccc12 ZINC000078814800 185114232 /nfs/dbraw/zinc/11/42/32/185114232.db2.gz AXHLAGKWNKZKFY-VIFPVBQESA-N -1 1 308.355 2.683 20 0 DFADMM O=c1cc(C2CC2)nc(S[C@@H]2C[C@H]3CCCC[C@H]3NC2=O)[n-]1 ZINC000522117921 398360314 /nfs/dbraw/zinc/36/03/14/398360314.db2.gz VQNOXMNWIVPBPS-NQBHXWOUSA-N -1 1 319.430 2.599 20 0 DFADMM O=c1cc(C2CC2)nc(S[C@H]2C[C@H]3CCCC[C@H]3NC2=O)[n-]1 ZINC000522117922 398360371 /nfs/dbraw/zinc/36/03/71/398360371.db2.gz VQNOXMNWIVPBPS-WZRBSPASSA-N -1 1 319.430 2.599 20 0 DFADMM Cc1n[n-]c(=S)n1CCNC(=O)C/C=C/c1ccc(F)cc1 ZINC000081829198 398373031 /nfs/dbraw/zinc/37/30/31/398373031.db2.gz NFARCHKYHQDPBH-NSCUHMNNSA-N -1 1 320.393 2.608 20 0 DFADMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2cccc(C)c2)n1 ZINC000009291556 398375111 /nfs/dbraw/zinc/37/51/11/398375111.db2.gz KMOHOHGTGNGBQG-LLVKDONJSA-N -1 1 317.414 2.760 20 0 DFADMM CC(C)OC(=O)CCNC(=O)c1cc2ccccc2cc1[O-] ZINC000010667941 398378795 /nfs/dbraw/zinc/37/87/95/398378795.db2.gz OUYSWSFZHLKRIH-UHFFFAOYSA-N -1 1 301.342 2.617 20 0 DFADMM Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1C(N)=O ZINC000066587193 398385861 /nfs/dbraw/zinc/38/58/61/398385861.db2.gz QIFJWVJXNRDFCO-UHFFFAOYSA-N -1 1 324.789 2.548 20 0 DFADMM C[C@H]1CCC[C@H](CO)[N@H+]1Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000459374134 299090920 /nfs/dbraw/zinc/09/09/20/299090920.db2.gz WUZJGMLUXYFBTL-XJKSGUPXSA-N -1 1 313.401 2.585 20 0 DFADMM CC1(C)CC[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000286634177 219094788 /nfs/dbraw/zinc/09/47/88/219094788.db2.gz IPPPUTZLJBWCME-QMMMGPOBSA-N -1 1 309.218 2.855 20 0 DFADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CC[C@@H](C2CCCC2)C1 ZINC000584773750 398410323 /nfs/dbraw/zinc/41/03/23/398410323.db2.gz LVDLDIULMGSXIK-CYBMUJFWSA-N -1 1 311.385 2.575 20 0 DFADMM CN(CC(=O)OC(C)(C)C)C(=O)c1cc2ccccc2cc1[O-] ZINC000299588436 529840523 /nfs/dbraw/zinc/84/05/23/529840523.db2.gz DMGXJJBCKMGGLD-UHFFFAOYSA-N -1 1 315.369 2.959 20 0 DFADMM CCOC1CC2(C1)CCN(C(=O)c1c(F)ccc([O-])c1F)C2 ZINC000286691078 219112620 /nfs/dbraw/zinc/11/26/20/219112620.db2.gz NVSGFDSDXYTVRX-UHFFFAOYSA-N -1 1 311.328 2.702 20 0 DFADMM O=C(c1ccc(C2=CCCC2)cc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000584811939 398414506 /nfs/dbraw/zinc/41/45/06/398414506.db2.gz JTJOHZIWMKNCSA-INIZCTEOSA-N -1 1 323.400 2.787 20 0 DFADMM CCCCN(CC)C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000022086171 398415960 /nfs/dbraw/zinc/41/59/60/398415960.db2.gz CYUMWPIZSIZEKZ-UHFFFAOYSA-N -1 1 311.451 2.794 20 0 DFADMM O=S(=O)(Cc1c(F)cccc1F)[N-]c1c[nH]nc1C1CC1 ZINC000584849823 398422733 /nfs/dbraw/zinc/42/27/33/398422733.db2.gz MBMPJSBVUBPTJK-UHFFFAOYSA-N -1 1 313.329 2.507 20 0 DFADMM Cc1cc(F)c(CNCCSC[C@H](C)C(=O)[O-])c(F)c1 ZINC000592461896 398429500 /nfs/dbraw/zinc/42/95/00/398429500.db2.gz OFVLBFFAGJACMC-JTQLQIEISA-N -1 1 303.374 2.817 20 0 DFADMM CCc1cccc([N-]S(=O)(=O)c2cccc(C(=O)OC)c2)c1 ZINC000024257699 398429846 /nfs/dbraw/zinc/42/98/46/398429846.db2.gz OYLWFGXRZOSBQR-UHFFFAOYSA-N -1 1 319.382 2.836 20 0 DFADMM C[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)n1nnnc1C(C)(C)C ZINC000272761005 210165098 /nfs/dbraw/zinc/16/50/98/210165098.db2.gz QHRBMUFHESXZPP-QMMMGPOBSA-N -1 1 323.784 2.529 20 0 DFADMM COCc1nc(C(=O)[N-]c2nc(C(C)(C)C)ns2)cs1 ZINC000068071215 398476527 /nfs/dbraw/zinc/47/65/27/398476527.db2.gz KHNJNQVXQSJSGT-UHFFFAOYSA-N -1 1 312.420 2.691 20 0 DFADMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1F ZINC000068075844 398477267 /nfs/dbraw/zinc/47/72/67/398477267.db2.gz JCVUQXDBGNGOBT-UHFFFAOYSA-N -1 1 323.345 2.665 20 0 DFADMM O=C(NCCOc1ccc(F)cc1)c1cc(Cl)ccc1[O-] ZINC000030132081 398496124 /nfs/dbraw/zinc/49/61/24/398496124.db2.gz QVHNQCVWIWMCMN-UHFFFAOYSA-N -1 1 309.724 2.994 20 0 DFADMM CCc1nn(C)cc1[N-]S(=O)(=O)C[C@H](C)c1ccccc1 ZINC000091021320 398502880 /nfs/dbraw/zinc/50/28/80/398502880.db2.gz RYQYHLMPHFOKCX-LBPRGKRZSA-N -1 1 307.419 2.528 20 0 DFADMM CC(C)n1c(=S)[n-]nc1C1CCN(C(=O)[C@H]2C[C@H]2C)CC1 ZINC000068447137 398504812 /nfs/dbraw/zinc/50/48/12/398504812.db2.gz GZALYOKIQLZXDA-PWSUYJOCSA-N -1 1 308.451 2.884 20 0 DFADMM Cc1ncccc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000091051693 398506163 /nfs/dbraw/zinc/50/61/63/398506163.db2.gz DSVVXXJWVXKLIR-UHFFFAOYSA-N -1 1 306.387 2.978 20 0 DFADMM CC(=O)c1ccccc1OCCSc1ncc(C)c(=O)[n-]1 ZINC000313950409 398517800 /nfs/dbraw/zinc/51/78/00/398517800.db2.gz CAXHGNXFFGPLAM-UHFFFAOYSA-N -1 1 304.371 2.864 20 0 DFADMM COc1cc(C(=O)NC[C@@H]2C[C@@H](C)O[C@@H]2C)cc(Cl)c1[O-] ZINC000414000912 295756226 /nfs/dbraw/zinc/75/62/26/295756226.db2.gz FGGUREQCKVYYKP-KKZNHRDASA-N -1 1 313.781 2.598 20 0 DFADMM CCOc1ccc(NC(=O)c2cncc([O-])c2)cc1OCC ZINC000315486771 398525916 /nfs/dbraw/zinc/52/59/16/398525916.db2.gz BPXSSFURMAUKQR-UHFFFAOYSA-N -1 1 302.330 2.837 20 0 DFADMM COc1ccc(C(=O)Nc2ccn(-c3ccccc3)n2)c([O-])c1 ZINC000073910469 282530009 /nfs/dbraw/zinc/53/00/09/282530009.db2.gz KLDBROJLALHVGG-UHFFFAOYSA-N -1 1 309.325 2.839 20 0 DFADMM COc1cccc(S(=O)(=O)[N-]c2ccc3nc(C)oc3c2)c1 ZINC000589429620 398551567 /nfs/dbraw/zinc/55/15/67/398551567.db2.gz GSCHEERDVCCOSV-UHFFFAOYSA-N -1 1 318.354 2.946 20 0 DFADMM O=C(/C=C/c1c(Cl)nc2ccccn21)[N-]O[C@@H]1CCCCO1 ZINC000128258236 282974033 /nfs/dbraw/zinc/97/40/33/282974033.db2.gz XBJPIIJZLDXYSX-HSBSLETESA-N -1 1 321.764 2.575 20 0 DFADMM C[C@@H](NC(=O)c1cc(Cl)ccc1[O-])c1nnc2ccccn21 ZINC000078600153 282596742 /nfs/dbraw/zinc/59/67/42/282596742.db2.gz DKBLSAYVFUVXEH-SECBINFHSA-N -1 1 316.748 2.579 20 0 DFADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H](C)c2ccc(Cl)cc2)n1 ZINC000593151093 398559920 /nfs/dbraw/zinc/55/99/20/398559920.db2.gz SGOONOVEQJINFY-SECBINFHSA-N -1 1 321.764 2.982 20 0 DFADMM O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@H]1CCCN1C1CC1 ZINC000279808574 304005523 /nfs/dbraw/zinc/00/55/23/304005523.db2.gz JDVVPSZQFORTTP-GFCCVEGCSA-N -1 1 303.387 2.682 20 0 DFADMM O=C(Nc1ccc2c(c1)NC(=O)CS2)c1cc(F)ccc1[O-] ZINC000080001172 282616483 /nfs/dbraw/zinc/61/64/83/282616483.db2.gz HRHVGAONPZEDHD-UHFFFAOYSA-N -1 1 318.329 2.828 20 0 DFADMM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1nc(Cl)ccc1[O-] ZINC000279891165 215211833 /nfs/dbraw/zinc/21/18/33/215211833.db2.gz ZETYUIZTQFIBBV-ZETCQYMHSA-N -1 1 308.769 2.913 20 0 DFADMM O=c1cc(C(F)(F)F)nc(SC[C@@H]2CCCC[C@H]2O)[n-]1 ZINC000331359330 233172869 /nfs/dbraw/zinc/17/28/69/233172869.db2.gz WJURTZTYWYPQBQ-JGVFFNPUSA-N -1 1 308.325 2.844 20 0 DFADMM COc1ccc(F)c([N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000088546977 282649331 /nfs/dbraw/zinc/64/93/31/282649331.db2.gz ARNPJUYDSBCQNW-UHFFFAOYSA-N -1 1 317.288 2.913 20 0 DFADMM COC(=O)Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1 ZINC000042626866 398597262 /nfs/dbraw/zinc/59/72/62/398597262.db2.gz IGDVUVOUULPDSP-UHFFFAOYSA-N -1 1 319.382 2.511 20 0 DFADMM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1csc(-c2ccccn2)n1 ZINC000092925723 398607757 /nfs/dbraw/zinc/60/77/57/398607757.db2.gz PCIHVJKMFHKTGV-PWSUYJOCSA-N -1 1 303.387 2.500 20 0 DFADMM O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)c1ncccc1[O-] ZINC000133784475 186012239 /nfs/dbraw/zinc/01/22/39/186012239.db2.gz NYQWEBSTHHTGFM-INIZCTEOSA-N -1 1 323.327 2.841 20 0 DFADMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc(C(C)C)cc2O)n1 ZINC000590355939 398616190 /nfs/dbraw/zinc/61/61/90/398616190.db2.gz CPZNGDRUUZHFEZ-UHFFFAOYSA-N -1 1 317.345 2.668 20 0 DFADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1c(F)cccc1Cl ZINC000078379913 304013728 /nfs/dbraw/zinc/01/37/28/304013728.db2.gz MEFWWUOCNLUVNY-UHFFFAOYSA-N -1 1 308.622 2.868 20 0 DFADMM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1cc(C(C)C)no1 ZINC000093313024 398629936 /nfs/dbraw/zinc/62/99/36/398629936.db2.gz DQQQQLWWFNOXHC-UHFFFAOYSA-N 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/nfs/dbraw/zinc/38/45/97/213384597.db2.gz ISVKYAOOJRKLGC-MLGOLLRUSA-N -1 1 300.358 2.642 20 0 DFADMM CC(C)Oc1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)c(F)c1 ZINC000172367806 198086507 /nfs/dbraw/zinc/08/65/07/198086507.db2.gz WGOONCRMBPTYLD-LBPRGKRZSA-N -1 1 317.382 2.534 20 0 DFADMM COc1ccc(C(=O)Nc2ccccc2-n2cccn2)c([O-])c1 ZINC000120610740 282790516 /nfs/dbraw/zinc/79/05/16/282790516.db2.gz DIOLGUGNGQIMLH-UHFFFAOYSA-N -1 1 309.325 2.839 20 0 DFADMM COC(=O)c1c[n-]c(SCCOc2ccccc2C(C)=O)n1 ZINC000277182010 213350539 /nfs/dbraw/zinc/35/05/39/213350539.db2.gz AHSINWOLUZXCKO-UHFFFAOYSA-N -1 1 320.370 2.570 20 0 DFADMM CSc1nsc([N-]C(=O)c2oc3c(c2C)C(=O)CCC3)n1 ZINC000172641758 198130620 /nfs/dbraw/zinc/13/06/20/198130620.db2.gz NBWNFHVDESTKKF-UHFFFAOYSA-N -1 1 323.399 2.933 20 0 DFADMM O=C(NC[C@@H]1CCCS1)c1ccc(Br)cc1[O-] ZINC000122171098 282825811 /nfs/dbraw/zinc/82/58/11/282825811.db2.gz FDBOLOSMNMGPNW-VIFPVBQESA-N -1 1 316.220 2.780 20 0 DFADMM CS[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000590863918 398690493 /nfs/dbraw/zinc/69/04/93/398690493.db2.gz XDPABWRDBPGAFO-SECBINFHSA-N -1 1 305.321 2.989 20 0 DFADMM CC(C)(C)OC(=O)CN(CC1CC1)C(=O)c1cc(F)ccc1[O-] ZINC000593819954 398692828 /nfs/dbraw/zinc/69/28/28/398692828.db2.gz KGQDXRQCXIRHRH-UHFFFAOYSA-N -1 1 323.364 2.725 20 0 DFADMM CC(C)(C)OC(=O)C[C@H]1CCCCN1C(=O)c1cncc([O-])c1 ZINC000593850886 398696971 /nfs/dbraw/zinc/69/69/71/398696971.db2.gz OTTUUIGUXOCMGV-CYBMUJFWSA-N -1 1 320.389 2.514 20 0 DFADMM Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000681060029 545591484 /nfs/dbraw/zinc/59/14/84/545591484.db2.gz RMMSEXJTCJGJMP-CYBMUJFWSA-N -1 1 303.337 2.849 20 0 DFADMM CCC(=O)N1CCC[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000129543309 283019722 /nfs/dbraw/zinc/01/97/22/283019722.db2.gz FUUHVJSYVXRJJC-SNVBAGLBSA-N -1 1 310.781 2.633 20 0 DFADMM COc1ccc(C(=O)Nc2cccc(-c3nnco3)c2)c([O-])c1 ZINC000130088489 283039262 /nfs/dbraw/zinc/03/92/62/283039262.db2.gz NYHAJNJQTZSWMW-UHFFFAOYSA-N -1 1 311.297 2.703 20 0 DFADMM Cc1cc(S(=O)(=O)[N-]c2cccc(O)c2F)c(F)cc1F ZINC000131511917 283088282 /nfs/dbraw/zinc/08/82/82/283088282.db2.gz LXVZJJJIDRUAFC-UHFFFAOYSA-N -1 1 317.288 2.919 20 0 DFADMM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000113946949 398742697 /nfs/dbraw/zinc/74/26/97/398742697.db2.gz XXOOTPYWVDTOBC-MRVPVSSYSA-N -1 1 316.329 2.609 20 0 DFADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H]2C[C@@H]2C)c1 ZINC000076001447 191551047 /nfs/dbraw/zinc/55/10/47/191551047.db2.gz DBELLWXXXUQALZ-AAEUAGOBSA-N -1 1 316.430 2.831 20 0 DFADMM O=S(=O)(c1ncn[n-]1)[C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000133260596 283145547 /nfs/dbraw/zinc/14/55/47/283145547.db2.gz MLJLWGXXYYDPQQ-SNVBAGLBSA-N -1 1 318.185 2.573 20 0 DFADMM O=S(=O)(c1nc[n-]n1)[C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000133260596 283145549 /nfs/dbraw/zinc/14/55/49/283145549.db2.gz MLJLWGXXYYDPQQ-SNVBAGLBSA-N -1 1 318.185 2.573 20 0 DFADMM COc1ccc2nc(-c3cccc(-n4cccn4)c3)[n-]c(=O)c2c1 ZINC000116989127 398763696 /nfs/dbraw/zinc/76/36/96/398763696.db2.gz 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NCWGNABWHGQNFD-LSDHHAIUSA-N -1 1 315.756 2.901 20 0 DFADMM CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cc(Cl)ccc1[O-] ZINC000436709074 297026872 /nfs/dbraw/zinc/02/68/72/297026872.db2.gz XHNFKOCFNBPPTL-AWEZNQCLSA-N -1 1 319.788 2.721 20 0 DFADMM C[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(F)cc1F ZINC000436669016 297023571 /nfs/dbraw/zinc/02/35/71/297023571.db2.gz YXNJCNIOVRJGFG-VIFPVBQESA-N -1 1 305.280 2.731 20 0 DFADMM Cc1ccn2cc(CNC(=O)c3cc(Cl)ccc3[O-])nc2c1 ZINC000436688574 297025184 /nfs/dbraw/zinc/02/51/84/297025184.db2.gz LSNWZHXNGJYPLB-UHFFFAOYSA-N -1 1 315.760 2.932 20 0 DFADMM O=C(C(=O)N1CCc2c(Cl)cccc2C1)c1ccc([O-])cc1 ZINC000436696086 297025607 /nfs/dbraw/zinc/02/56/07/297025607.db2.gz GHEJNMHBWMIRMS-UHFFFAOYSA-N -1 1 315.756 2.813 20 0 DFADMM O=C(Nc1ccc(OCCCO)cc1)c1cc(F)ccc1[O-] ZINC000436695385 297025691 /nfs/dbraw/zinc/02/56/91/297025691.db2.gz DRONKTHVWAUCIB-UHFFFAOYSA-N -1 1 305.305 2.545 20 0 DFADMM Cc1cc(C)cc(C[C@H](C)NC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000436699162 297025971 /nfs/dbraw/zinc/02/59/71/297025971.db2.gz PDZJOWVQYWVWEM-AWEZNQCLSA-N -1 1 311.381 2.939 20 0 DFADMM O=C(Nc1ccc(OCCCO)cc1)c1ccc([O-])cc1F ZINC000436697840 297026265 /nfs/dbraw/zinc/02/62/65/297026265.db2.gz OIEPSMWRXLHOJH-UHFFFAOYSA-N -1 1 305.305 2.545 20 0 DFADMM CC(=O)c1ccc([O-])c(NC(=O)c2ccccc2CN(C)C)c1 ZINC000436707608 297026842 /nfs/dbraw/zinc/02/68/42/297026842.db2.gz SQGADNOYLSAQGV-UHFFFAOYSA-N -1 1 312.369 2.909 20 0 DFADMM CCO[C@H]1C[C@@H](NC(=O)C(=O)c2ccc([O-])cc2)C1(CC)CC ZINC000436708125 297026853 /nfs/dbraw/zinc/02/68/53/297026853.db2.gz ZZNIEAATIBVEJX-CABCVRRESA-N -1 1 319.401 2.675 20 0 DFADMM C[C@]1(CNC(=O)c2cc(Cl)ccc2[O-])CCO[C@H]1C1CC1 ZINC000436747722 297031059 /nfs/dbraw/zinc/03/10/59/297031059.db2.gz MWBJVILDZDMYKR-GOEBONIOSA-N -1 1 309.793 2.981 20 0 DFADMM O=C(N[C@@H]1CCN(c2ccccc2F)C1)c1ccc([O-])cc1F ZINC000436750658 297031261 /nfs/dbraw/zinc/03/12/61/297031261.db2.gz OOXKDOFSJPIJRH-LLVKDONJSA-N -1 1 318.323 2.679 20 0 DFADMM COCCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])C1CC1 ZINC000436750810 297031416 /nfs/dbraw/zinc/03/14/16/297031416.db2.gz HIJOCSPYELAUER-UHFFFAOYSA-N -1 1 303.280 2.662 20 0 DFADMM Cc1cccc2nc(CNC(=O)c3ccc(Cl)cc3[O-])cn21 ZINC000436717929 297027811 /nfs/dbraw/zinc/02/78/11/297027811.db2.gz IPNHYPADTGPUBO-UHFFFAOYSA-N -1 1 315.760 2.932 20 0 DFADMM CN(CCCNC(=O)c1ccc(Cl)cc1[O-])CC(F)(F)F ZINC000436720709 297028358 /nfs/dbraw/zinc/02/83/58/297028358.db2.gz GRWLKTJZEIWXIB-UHFFFAOYSA-N -1 1 324.730 2.660 20 0 DFADMM CSc1nnc(CNC(=O)c2ccc(Cl)cc2[O-])s1 ZINC000436740863 297030429 /nfs/dbraw/zinc/03/04/29/297030429.db2.gz SRSKSJPFUXPJRX-UHFFFAOYSA-N -1 1 315.807 2.549 20 0 DFADMM O=C(N[C@@H]1CC[C@H](F)C1)c1ccc(Br)cc1[O-] ZINC000436744807 297030891 /nfs/dbraw/zinc/03/08/91/297030891.db2.gz PVQWLNHAMDVIFY-DTWKUNHWSA-N -1 1 302.143 2.775 20 0 DFADMM CC[C@@H](C[C@@H](C)CO)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436768213 297032949 /nfs/dbraw/zinc/03/29/49/297032949.db2.gz HTDMKRNZJIECMJ-KOLCDFICSA-N -1 1 319.323 2.938 20 0 DFADMM CCc1nn(C)cc1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436782302 297034031 /nfs/dbraw/zinc/03/40/31/297034031.db2.gz WZOFKCRHVRZSII-UHFFFAOYSA-N -1 1 309.753 2.602 20 0 DFADMM C[C@](CO)(CNC(=O)c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000436791693 297034200 /nfs/dbraw/zinc/03/42/00/297034200.db2.gz LMKFYVHRXGBQOU-QGZVFWFLSA-N -1 1 319.788 2.726 20 0 DFADMM COc1ccc(C(=O)Nc2cccc(OCC(F)F)n2)c([O-])c1 ZINC000436809973 297036130 /nfs/dbraw/zinc/03/61/30/297036130.db2.gz QCGUFAPBIYFOBO-UHFFFAOYSA-N -1 1 324.283 2.692 20 0 DFADMM O=C(c1ccc([O-])cc1F)N1Cc2cnn(-c3ccccc3)c2C1 ZINC000436809500 297036259 /nfs/dbraw/zinc/03/62/59/297036259.db2.gz UBKSPBRHUKPLLR-UHFFFAOYSA-N -1 1 323.327 2.873 20 0 DFADMM O=C(c1cc(Cl)ccc1[O-])N(CCO)Cc1cccc(F)c1 ZINC000436821409 297036893 /nfs/dbraw/zinc/03/68/93/297036893.db2.gz WDYUBQUNYGWCHF-UHFFFAOYSA-N -1 1 323.751 2.819 20 0 DFADMM COCCN(Cc1scnc1C)C(=O)c1cc(F)ccc1[O-] ZINC000436822648 297036908 /nfs/dbraw/zinc/03/69/08/297036908.db2.gz QESKSJHVSFPVHV-UHFFFAOYSA-N -1 1 324.377 2.585 20 0 DFADMM Cc1cccc2c1OC[C@@H](NC(=O)c1cc(F)ccc1[O-])C2 ZINC000436819001 297037157 /nfs/dbraw/zinc/03/71/57/297037157.db2.gz HKAVRANHQTZPNO-ZDUSSCGKSA-N -1 1 301.317 2.573 20 0 DFADMM Cn1c(NC(=O)c2ccc([O-])cc2F)nc2ccc(F)cc21 ZINC000436821708 297037200 /nfs/dbraw/zinc/03/72/00/297037200.db2.gz XNUTUXGFUIPBKV-UHFFFAOYSA-N -1 1 303.268 2.809 20 0 DFADMM CCC(=O)Nc1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000436902481 297043476 /nfs/dbraw/zinc/04/34/76/297043476.db2.gz QBRDXGCEXOFQMV-UHFFFAOYSA-N -1 1 312.325 2.562 20 0 DFADMM CC(C)[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1nncn1C ZINC000436849925 297039575 /nfs/dbraw/zinc/03/95/75/297039575.db2.gz WHCQDAHCWFDDTC-MRXNPFEDSA-N -1 1 324.384 2.801 20 0 DFADMM COC(=O)[C@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])[C@H]1C ZINC000436859266 297040457 /nfs/dbraw/zinc/04/04/57/297040457.db2.gz AHDPUKGDKJBTBJ-AAEUAGOBSA-N -1 1 313.353 2.569 20 0 DFADMM COc1ccc(C(=O)Nc2cc(OC)c(C)c(OC)c2)c([O-])c1 ZINC000436859117 297040519 /nfs/dbraw/zinc/04/05/19/297040519.db2.gz XEOOXCHOGUVQAI-UHFFFAOYSA-N -1 1 317.341 2.979 20 0 DFADMM COc1ncc(/C=C\c2nc(-c3ccc([O-])c(F)c3)no2)cn1 ZINC000436873562 297041137 /nfs/dbraw/zinc/04/11/37/297041137.db2.gz NHUNEPACAIIIHZ-DJWKRKHSSA-N -1 1 314.276 2.550 20 0 DFADMM CCc1nnc([C@H](C)NC(=O)c2ccc3ccccc3c2[O-])[nH]1 ZINC000436914023 297044310 /nfs/dbraw/zinc/04/43/10/297044310.db2.gz KDHCELQQTARJHL-JTQLQIEISA-N -1 1 310.357 2.717 20 0 DFADMM Cc1nn(C)c(C)c1NC(=O)c1cc(Br)ccc1[O-] ZINC000436933217 297045687 /nfs/dbraw/zinc/04/56/87/297045687.db2.gz HEELGGGTMNDAIX-UHFFFAOYSA-N -1 1 324.178 2.757 20 0 DFADMM CCOc1cc(C)ccc1CNC(=O)C(=O)c1ccc([O-])cc1 ZINC000436943971 297046764 /nfs/dbraw/zinc/04/67/64/297046764.db2.gz NZGFJZGVNQDEQU-UHFFFAOYSA-N -1 1 313.353 2.598 20 0 DFADMM C[C@]1(c2ccccc2)CCN(C(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000436944502 297046778 /nfs/dbraw/zinc/04/67/78/297046778.db2.gz QJYGPJUYGWQJEK-IBGZPJMESA-N -1 1 309.365 2.765 20 0 DFADMM [O-]c1ccc(-c2noc(C[C@@H](O)Cc3ccccc3)n2)c(F)c1 ZINC000436954921 297047615 /nfs/dbraw/zinc/04/76/15/297047615.db2.gz IWVVCWTUUZPLEF-ZDUSSCGKSA-N -1 1 314.316 2.727 20 0 DFADMM CCCCn1ncc(NC(=O)C(=O)c2ccc([O-])cc2)c1C ZINC000436969166 297048522 /nfs/dbraw/zinc/04/85/22/297048522.db2.gz YRQGHWJODSELBR-UHFFFAOYSA-N -1 1 301.346 2.519 20 0 DFADMM COc1ccc2c(c1)[C@@H](NC(=O)c1c([O-])cccc1F)CCO2 ZINC000436989266 297050845 /nfs/dbraw/zinc/05/08/45/297050845.db2.gz NQZRHGCGCYFBQN-ZDUSSCGKSA-N -1 1 317.316 2.794 20 0 DFADMM C[C@@]1(CNC(=O)C(=O)c2ccc([O-])cc2)CCCc2ccccc21 ZINC000436992343 297051330 /nfs/dbraw/zinc/05/13/30/297051330.db2.gz USMPKACBOSETOV-FQEVSTJZSA-N -1 1 323.392 2.985 20 0 DFADMM O=C(c1cc(F)ccc1[O-])N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000437000155 297051857 /nfs/dbraw/zinc/05/18/57/297051857.db2.gz NTGVVOPCQIDYCU-UKRRQHHQSA-N -1 1 319.307 2.619 20 0 DFADMM Cn1[n-]cc2/c(=N\C(=O)c3cc4c(s3)CCCC4)ccnc1-2 ZINC000279819752 294132903 /nfs/dbraw/zinc/13/29/03/294132903.db2.gz 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/nfs/dbraw/zinc/08/54/64/297085464.db2.gz NIHBISFXFZFXOH-UHFFFAOYSA-N -1 1 321.402 2.674 20 0 DFADMM O=C(Nc1cccc(-c2cn[nH]n2)c1)c1cc(F)c([O-])c(F)c1 ZINC000442675080 297200557 /nfs/dbraw/zinc/20/05/57/297200557.db2.gz XTFJBPLBTFLRRJ-UHFFFAOYSA-N -1 1 316.267 2.708 20 0 DFADMM COc1cc(C(=O)N[C@H](C)[C@H]2CCCCO2)cc(Cl)c1[O-] ZINC000442794745 297206598 /nfs/dbraw/zinc/20/65/98/297206598.db2.gz DJENNLLBOSDKFT-BXKDBHETSA-N -1 1 313.781 2.742 20 0 DFADMM Cc1cc(=O)[nH]cc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000443904596 297228190 /nfs/dbraw/zinc/22/81/90/297228190.db2.gz VXBZNILUWXOZHK-UHFFFAOYSA-N -1 1 316.741 2.689 20 0 DFADMM O=S(=O)(CC[C@@H]1CCCO1)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447485506 297304623 /nfs/dbraw/zinc/30/46/23/297304623.db2.gz ZSWKKYKMGGOTSW-ZDUSSCGKSA-N -1 1 324.377 2.559 20 0 DFADMM O=S(=O)(CC[C@@H]1CCCO1)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447485506 297304624 /nfs/dbraw/zinc/30/46/24/297304624.db2.gz ZSWKKYKMGGOTSW-ZDUSSCGKSA-N -1 1 324.377 2.559 20 0 DFADMM CC[C@H]([N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1)C(F)F ZINC000451079980 297744118 /nfs/dbraw/zinc/74/41/18/297744118.db2.gz IITLYCJIMVPZPA-JTQLQIEISA-N -1 1 315.744 2.942 20 0 DFADMM CC[C@@H](CSC)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451366346 297795080 /nfs/dbraw/zinc/79/50/80/297795080.db2.gz INFBHIJCMDCQDV-NSHDSACASA-N -1 1 317.407 2.992 20 0 DFADMM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2sccc2Cl)CCO1 ZINC000451371653 297796654 /nfs/dbraw/zinc/79/66/54/297796654.db2.gz DXPCKVNIWFMAFQ-KOLCDFICSA-N -1 1 323.867 2.883 20 0 DFADMM O=S(=O)([N-]CCCC1CCOCC1)c1sccc1Cl ZINC000451610620 297843690 /nfs/dbraw/zinc/84/36/90/297843690.db2.gz HCNSPCRIFOIVPI-UHFFFAOYSA-N -1 1 323.867 2.887 20 0 DFADMM CC[C@H]([N-]S(=O)(=O)Cc1cccc2cccnc21)C(F)F ZINC000451623548 297846424 /nfs/dbraw/zinc/84/64/24/297846424.db2.gz KOGITMYETMFINX-LBPRGKRZSA-N -1 1 314.357 2.698 20 0 DFADMM CC[C@@H]([N-]S(=O)(=O)C[C@H](C)COC1CCCC1)C(F)F ZINC000451630142 297847903 /nfs/dbraw/zinc/84/79/03/297847903.db2.gz LJTQOBQHEXCEMK-ZYHUDNBSSA-N -1 1 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597084479 /nfs/dbraw/zinc/08/44/79/597084479.db2.gz JMSFOAMBLKZLBV-NSHDSACASA-N -1 1 319.336 2.562 20 0 DFADMM CC[C@@H](NCc1csc(COc2ccc(C)cc2)n1)C(=O)[O-] ZINC000818323873 597153855 /nfs/dbraw/zinc/15/38/55/597153855.db2.gz PANLDJKTDMYQOB-CQSZACIVSA-N -1 1 320.414 2.983 20 0 DFADMM CCSCC[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000821462287 607327210 /nfs/dbraw/zinc/32/72/10/607327210.db2.gz YKORWAJNNZSARK-LURJTMIESA-N -1 1 318.859 2.920 20 0 DFADMM CCSCC[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000821462287 607327211 /nfs/dbraw/zinc/32/72/11/607327211.db2.gz YKORWAJNNZSARK-LURJTMIESA-N -1 1 318.859 2.920 20 0 DFADMM CC(C)n1ncc2cc(CN3CC[C@H](C(=O)[O-])C3)c(Cl)nc21 ZINC000820066854 598129384 /nfs/dbraw/zinc/12/93/84/598129384.db2.gz LGMDGSIXWIWTHY-JTQLQIEISA-N -1 1 322.796 2.572 20 0 DFADMM O=C([O-])C[C@H]1CCCN(Cc2occc2Br)C1 ZINC000236426655 598151173 /nfs/dbraw/zinc/15/11/73/598151173.db2.gz TYQLYKXHHQUBGO-SECBINFHSA-N -1 1 302.168 2.729 20 0 DFADMM CC(C)(C)c1ccc2c(c1)CCN2c1nccnc1-c1nnn[n-]1 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FC(F)(F)CCCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000822714921 599359060 /nfs/dbraw/zinc/35/90/60/599359060.db2.gz WBLOJCUHNWLKGY-UHFFFAOYSA-N -1 1 306.679 2.670 20 0 DFADMM C[C@@H]1CC[C@@H](OC(=O)c2sccc2-c2nn[n-]n2)[C@H](C)C1 ZINC000736244751 599375806 /nfs/dbraw/zinc/37/58/06/599375806.db2.gz MWMYZQUTHSZDKB-FXPVBKGRSA-N -1 1 306.391 2.910 20 0 DFADMM CN(Cc1ccc(Cl)s1)c1cccc(-c2nnn[n-]2)n1 ZINC000736816420 599396517 /nfs/dbraw/zinc/39/65/17/599396517.db2.gz GVNQVFGRNJZMOA-UHFFFAOYSA-N -1 1 306.782 2.613 20 0 DFADMM CN(Cc1ccc(Cl)s1)c1cccc(-c2nn[n-]n2)n1 ZINC000736816420 599396519 /nfs/dbraw/zinc/39/65/19/599396519.db2.gz GVNQVFGRNJZMOA-UHFFFAOYSA-N -1 1 306.782 2.613 20 0 DFADMM CCc1cccc2c1OCC[C@@H]2Nc1cccc(-c2nnn[n-]2)n1 ZINC000736694984 599425331 /nfs/dbraw/zinc/42/53/31/599425331.db2.gz FURZKYRCEJPITP-ZDUSSCGKSA-N -1 1 322.372 2.760 20 0 DFADMM CCc1cccc2c1OCC[C@@H]2Nc1cccc(-c2nn[n-]n2)n1 ZINC000736694984 599425333 /nfs/dbraw/zinc/42/53/33/599425333.db2.gz FURZKYRCEJPITP-ZDUSSCGKSA-N -1 1 322.372 2.760 20 0 DFADMM Fc1ccc(CCNc2cccc(-c3nnn[n-]3)n2)c(Cl)c1 ZINC000737647052 599439446 /nfs/dbraw/zinc/43/94/46/599439446.db2.gz CJMXQJGWDYSYDT-UHFFFAOYSA-N -1 1 318.743 2.709 20 0 DFADMM Fc1ccc(CCNc2cccc(-c3nn[n-]n3)n2)c(Cl)c1 ZINC000737647052 599439449 /nfs/dbraw/zinc/43/94/49/599439449.db2.gz CJMXQJGWDYSYDT-UHFFFAOYSA-N -1 1 318.743 2.709 20 0 DFADMM Fc1ccc2[nH]cc(CCNc3cccc(-c4nnn[n-]4)n3)c2c1 ZINC000737656368 599441718 /nfs/dbraw/zinc/44/17/18/599441718.db2.gz LGLINDQGBGFFFH-UHFFFAOYSA-N -1 1 323.335 2.537 20 0 DFADMM Fc1ccc2[nH]cc(CCNc3cccc(-c4nn[n-]n4)n3)c2c1 ZINC000737656368 599441719 /nfs/dbraw/zinc/44/17/19/599441719.db2.gz LGLINDQGBGFFFH-UHFFFAOYSA-N -1 1 323.335 2.537 20 0 DFADMM CCCCC1CCC(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])CC1 ZINC000319236821 599777417 /nfs/dbraw/zinc/77/74/17/599777417.db2.gz LUHSZXCAOSSGOZ-PIMMBPRGSA-N -1 1 321.421 2.518 20 0 DFADMM CC[C@@H](C)N(C)CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000736885089 599780993 /nfs/dbraw/zinc/78/09/93/599780993.db2.gz 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/nfs/dbraw/zinc/41/44/93/607414493.db2.gz SCDMKPBBBTWXIY-NSHDSACASA-N -1 1 315.377 2.635 20 0 DFADMM O=C([O-])C[C@H]1CCCCN1CC(=O)c1c[nH]c2ccccc12 ZINC000739637132 600087878 /nfs/dbraw/zinc/08/78/78/600087878.db2.gz YBTSZBXTPGVAFJ-GFCCVEGCSA-N -1 1 300.358 2.680 20 0 DFADMM CC(C)(C)OC(=O)C1CCN(Cc2occc2C(=O)[O-])CC1 ZINC000736262354 600143377 /nfs/dbraw/zinc/14/33/77/600143377.db2.gz KNUVYEUYZTXBGO-UHFFFAOYSA-N -1 1 309.362 2.532 20 0 DFADMM CCc1ccc(NC(=O)CNC2(C(=O)[O-])CCCCC2)cc1 ZINC000737264316 600149366 /nfs/dbraw/zinc/14/93/66/600149366.db2.gz ASXQIGPCSAXALV-UHFFFAOYSA-N -1 1 304.390 2.565 20 0 DFADMM CCC[C@@](C)(NCC(=O)Nc1ccc(C(C)C)cc1)C(=O)[O-] ZINC000314383212 600151227 /nfs/dbraw/zinc/15/12/27/600151227.db2.gz UKVPYKPVGDQUGX-QGZVFWFLSA-N -1 1 306.406 2.982 20 0 DFADMM CCC[C@](C)(NCC(=O)N1c2ccccc2CC[C@H]1C)C(=O)[O-] ZINC000736965108 600151931 /nfs/dbraw/zinc/15/19/31/600151931.db2.gz RSJZLIGUOJOZSR-ACJLOTCBSA-N -1 1 318.417 2.587 20 0 DFADMM CCC[C@](C)(NCC(=O)N(C)[C@H](C)c1ccc(F)cc1)C(=O)[O-] ZINC000736959567 600152883 /nfs/dbraw/zinc/15/28/83/600152883.db2.gz GVQDZBCEAGHJFM-PXAZEXFGSA-N -1 1 324.396 2.578 20 0 DFADMM COc1c(C)cnc(CNCc2ccc(C(=O)[O-])cc2)c1C ZINC000737839475 600174057 /nfs/dbraw/zinc/17/40/57/600174057.db2.gz HYEHPVVCPLQGKQ-UHFFFAOYSA-N -1 1 300.358 2.695 20 0 DFADMM O=C([O-])[C@@H]1CC12CCN(Cn1ccc(-c3ccccc3)n1)CC2 ZINC000739537060 600281699 /nfs/dbraw/zinc/28/16/99/600281699.db2.gz UBURUEHFXCPMKF-HNNXBMFYSA-N -1 1 311.385 2.694 20 0 DFADMM CC[C@@H]1CCCN(CC(=O)Nc2ccsc2C(=O)[O-])CC1 ZINC000736937787 600319942 /nfs/dbraw/zinc/31/99/42/600319942.db2.gz ABFXQVAXXOEMML-LLVKDONJSA-N -1 1 310.419 2.897 20 0 DFADMM CC[C@H](C)CN(C)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000736881074 600324434 /nfs/dbraw/zinc/32/44/34/600324434.db2.gz VHSLKEBKXYNNJQ-JTQLQIEISA-N -1 1 303.362 2.512 20 0 DFADMM CC[C@@H](C)CN(C)CC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000736879930 600324721 /nfs/dbraw/zinc/32/47/21/600324721.db2.gz 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CC(C)c1noc([C@H](C)N2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@@H]3C2)n1 ZINC000833800905 605455054 /nfs/dbraw/zinc/45/50/54/605455054.db2.gz YGMHUDKLWCKMQR-WUHRBBMRSA-N -1 1 322.409 2.622 20 0 DFADMM Cn1cccc1[C@H]1CCCN1Cc1ccc(NC(=O)[O-])nc1 ZINC000833952680 605464212 /nfs/dbraw/zinc/46/42/12/605464212.db2.gz OSPNQKPKBNQKSK-CQSZACIVSA-N -1 1 300.362 2.847 20 0 DFADMM O=C([O-])N1CCC(CCN2CCO[C@@H](c3ccccc3)C2)CC1 ZINC000834076233 605468169 /nfs/dbraw/zinc/46/81/69/605468169.db2.gz WMDXETMOCWTJCA-QGZVFWFLSA-N -1 1 318.417 2.840 20 0 DFADMM CCCN(Cc1nc(CC(C)C)no1)C1CCN(C(=O)[O-])CC1 ZINC000826917037 605469621 /nfs/dbraw/zinc/46/96/21/605469621.db2.gz WGVFMIDNKHIUFE-UHFFFAOYSA-N -1 1 324.425 2.623 20 0 DFADMM O=C([O-])N1CCc2cccc(CNc3ccc4nn[nH]c4c3)c21 ZINC000834119216 605640714 /nfs/dbraw/zinc/64/07/14/605640714.db2.gz CPJFFLVIGHCAEE-UHFFFAOYSA-N -1 1 309.329 2.611 20 0 DFADMM O=C([O-])N1CCc2cccc(CNc3ccc4n[nH]nc4c3)c21 ZINC000834119216 605640717 /nfs/dbraw/zinc/64/07/17/605640717.db2.gz CPJFFLVIGHCAEE-UHFFFAOYSA-N -1 1 309.329 2.611 20 0 DFADMM O=C([O-])N1CCC[C@H](N[C@H](c2ccccc2)c2ccccn2)C1 ZINC000834098278 605648856 /nfs/dbraw/zinc/64/88/56/605648856.db2.gz IYWGFCNYQBIPOS-DOTOQJQBSA-N -1 1 311.385 2.903 20 0 DFADMM C[C@H]1C[C@H](CNC(=O)[O-])CN1Cc1c(F)cccc1Cl ZINC000833830416 605887409 /nfs/dbraw/zinc/88/74/09/605887409.db2.gz IWSDFPTWAMFTRY-VHSXEESVSA-N -1 1 300.761 2.957 20 0 DFADMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1Cc1c(F)cccc1Cl ZINC000833830417 605887495 /nfs/dbraw/zinc/88/74/95/605887495.db2.gz IWSDFPTWAMFTRY-ZJUUUORDSA-N -1 1 300.761 2.957 20 0 DFADMM CCN(CC)c1ncc(CN2CCCCC[C@@H]2C(=O)[O-])s1 ZINC000833654089 605929953 /nfs/dbraw/zinc/92/99/53/605929953.db2.gz AEFFLMDPFVXJSP-CYBMUJFWSA-N -1 1 311.451 2.819 20 0 DFADMM O=C([O-])N[C@@H]1CCC[C@H]1NCc1coc(-c2ccccc2)n1 ZINC000834176815 605985403 /nfs/dbraw/zinc/98/54/03/605985403.db2.gz USZUKFBHOQPFEH-ZIAGYGMSSA-N -1 1 301.346 2.620 20 0 DFADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1F ZINC000820512999 606135260 /nfs/dbraw/zinc/13/52/60/606135260.db2.gz RTADAEBOGPVICS-QMMMGPOBSA-N -1 1 318.333 2.985 20 0 DFADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1F ZINC000820512999 606135262 /nfs/dbraw/zinc/13/52/62/606135262.db2.gz RTADAEBOGPVICS-QMMMGPOBSA-N -1 1 318.333 2.985 20 0 DFADMM C[C@@H]1[C@H](Cc2ccccc2)CCN1c1cccc(-c2nnn[n-]2)n1 ZINC000820643321 606138656 /nfs/dbraw/zinc/13/86/56/606138656.db2.gz UKOFEZWLGAQITQ-HIFRSBDPSA-N -1 1 320.400 2.719 20 0 DFADMM C[C@@H]1[C@H](Cc2ccccc2)CCN1c1cccc(-c2nn[n-]n2)n1 ZINC000820643321 606138657 /nfs/dbraw/zinc/13/86/57/606138657.db2.gz UKOFEZWLGAQITQ-HIFRSBDPSA-N -1 1 320.400 2.719 20 0 DFADMM C[C@H](Cc1ccccc1)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820298872 606177061 /nfs/dbraw/zinc/17/70/61/606177061.db2.gz BVURVKRNOHGPSH-SNVBAGLBSA-N -1 1 314.370 2.716 20 0 DFADMM C[C@H](Cc1ccccc1)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820298872 606177062 /nfs/dbraw/zinc/17/70/62/606177062.db2.gz BVURVKRNOHGPSH-SNVBAGLBSA-N -1 1 314.370 2.716 20 0 DFADMM Clc1ccc(Sc2nccn2C2CC2)nc1-c1nnn[n-]1 ZINC000822582825 606447380 /nfs/dbraw/zinc/44/73/80/606447380.db2.gz XTDBKGAJBXIGEC-UHFFFAOYSA-N -1 1 319.781 2.598 20 0 DFADMM Clc1ccc(Sc2nccn2C2CC2)nc1-c1nn[n-]n1 ZINC000822582825 606447381 /nfs/dbraw/zinc/44/73/81/606447381.db2.gz XTDBKGAJBXIGEC-UHFFFAOYSA-N -1 1 319.781 2.598 20 0 DFADMM Cc1ccc([C@@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)cc1 ZINC000822233409 606448920 /nfs/dbraw/zinc/44/89/20/606448920.db2.gz OGKLXFITKDGGSK-HNNXBMFYSA-N -1 1 306.373 2.912 20 0 DFADMM Cc1ccc([C@@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)cc1 ZINC000822233409 606448921 /nfs/dbraw/zinc/44/89/21/606448921.db2.gz OGKLXFITKDGGSK-HNNXBMFYSA-N -1 1 306.373 2.912 20 0 DFADMM C[C@H]1CCCC[C@H]1N(C)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820703307 606449741 /nfs/dbraw/zinc/44/97/41/606449741.db2.gz DPVDWHGLWLIYCK-GXSJLCMTSA-N -1 1 306.801 2.930 20 0 DFADMM C[C@H]1CCCC[C@H]1N(C)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820703307 606449743 /nfs/dbraw/zinc/44/97/43/606449743.db2.gz DPVDWHGLWLIYCK-GXSJLCMTSA-N -1 1 306.801 2.930 20 0 DFADMM C[C@@H]1CCC[C@H](C)CN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820696734 606467992 /nfs/dbraw/zinc/46/79/92/606467992.db2.gz BQPDHUOXIHKLRX-VHSXEESVSA-N -1 1 306.801 2.930 20 0 DFADMM C[C@@H]1CCC[C@H](C)CN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820696734 606467993 /nfs/dbraw/zinc/46/79/93/606467993.db2.gz BQPDHUOXIHKLRX-VHSXEESVSA-N -1 1 306.801 2.930 20 0 DFADMM CCO[C@@H]1C[C@@H](Nc2cccc(-c3nnn[n-]3)n2)C1(CC)CC ZINC000821359668 606477403 /nfs/dbraw/zinc/47/74/03/606477403.db2.gz ORAPMVFWZXDPAA-CHWSQXEVSA-N -1 1 316.409 2.657 20 0 DFADMM CCO[C@@H]1C[C@@H](Nc2cccc(-c3nn[n-]n3)n2)C1(CC)CC ZINC000821359668 606477405 /nfs/dbraw/zinc/47/74/05/606477405.db2.gz ORAPMVFWZXDPAA-CHWSQXEVSA-N -1 1 316.409 2.657 20 0 DFADMM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c(F)c1 ZINC000822255113 606489200 /nfs/dbraw/zinc/48/92/00/606489200.db2.gz VXONZIJSPXPQQW-UHFFFAOYSA-N -1 1 303.322 2.628 20 0 DFADMM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c(F)c1 ZINC000822255113 606489201 /nfs/dbraw/zinc/48/92/01/606489201.db2.gz VXONZIJSPXPQQW-UHFFFAOYSA-N -1 1 303.322 2.628 20 0 DFADMM C[C@@H]1CCC[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820698107 606504805 /nfs/dbraw/zinc/50/48/05/606504805.db2.gz PXMUNJZRLYOEQP-ZJUUUORDSA-N -1 1 305.407 2.579 20 0 DFADMM C[C@@H]1CCC[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820698107 606504807 /nfs/dbraw/zinc/50/48/07/606504807.db2.gz PXMUNJZRLYOEQP-ZJUUUORDSA-N -1 1 305.407 2.579 20 0 DFADMM Cc1ccc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)s2)s1 ZINC000822237449 606549678 /nfs/dbraw/zinc/54/96/78/606549678.db2.gz UFKISHUMIZCLOP-UHFFFAOYSA-N -1 1 319.415 2.570 20 0 DFADMM Cc1ccc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)s2)s1 ZINC000822237449 606549677 /nfs/dbraw/zinc/54/96/77/606549677.db2.gz UFKISHUMIZCLOP-UHFFFAOYSA-N -1 1 319.415 2.570 20 0 DFADMM CC(C)(C)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000819906677 606564292 /nfs/dbraw/zinc/56/42/92/606564292.db2.gz IOPNTGJAQZEULW-UHFFFAOYSA-N -1 1 319.434 2.827 20 0 DFADMM CC(C)(C)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000819906677 606564294 /nfs/dbraw/zinc/56/42/94/606564294.db2.gz IOPNTGJAQZEULW-UHFFFAOYSA-N -1 1 319.434 2.827 20 0 DFADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000820462104 606593766 /nfs/dbraw/zinc/59/37/66/606593766.db2.gz UUQLQYLBHFWDEY-OHUAYANFSA-N -1 1 322.372 2.627 20 0 DFADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000820462104 606593768 /nfs/dbraw/zinc/59/37/68/606593768.db2.gz UUQLQYLBHFWDEY-OHUAYANFSA-N -1 1 322.372 2.627 20 0 DFADMM C[C@H](CC(=O)OCc1ccnc(-c2nnn[n-]2)c1)CC(C)(C)C ZINC000820225850 606651016 /nfs/dbraw/zinc/65/10/16/606651016.db2.gz QOWRQSLPYHKAQQ-LLVKDONJSA-N -1 1 317.393 2.767 20 0 DFADMM C[C@H](CC(=O)OCc1ccnc(-c2nn[n-]n2)c1)CC(C)(C)C ZINC000820225850 606651017 /nfs/dbraw/zinc/65/10/17/606651017.db2.gz QOWRQSLPYHKAQQ-LLVKDONJSA-N -1 1 317.393 2.767 20 0 DFADMM CC(C)[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000820044927 606725706 /nfs/dbraw/zinc/72/57/06/606725706.db2.gz JBXKYCYRSSQWAG-GFCCVEGCSA-N -1 1 308.389 2.897 20 0 DFADMM CC(C)[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000820044927 606725708 /nfs/dbraw/zinc/72/57/08/606725708.db2.gz JBXKYCYRSSQWAG-GFCCVEGCSA-N -1 1 308.389 2.897 20 0 DFADMM Cc1nc(COc2cccc(F)c2-c2nnn[n-]2)sc1C ZINC000826326585 607865221 /nfs/dbraw/zinc/86/52/21/607865221.db2.gz WKLMVJSSMLGOHL-UHFFFAOYSA-N -1 1 305.338 2.658 20 0 DFADMM Cc1nc(COc2cccc(F)c2-c2nn[n-]n2)sc1C ZINC000826326585 607865222 /nfs/dbraw/zinc/86/52/22/607865222.db2.gz WKLMVJSSMLGOHL-UHFFFAOYSA-N -1 1 305.338 2.658 20 0 DFADMM COCc1cccc(COc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826164733 607865272 /nfs/dbraw/zinc/86/52/72/607865272.db2.gz NLCHVGCSKOTKPS-UHFFFAOYSA-N -1 1 314.320 2.731 20 0 DFADMM COCc1cccc(COc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826164733 607865273 /nfs/dbraw/zinc/86/52/73/607865273.db2.gz NLCHVGCSKOTKPS-UHFFFAOYSA-N -1 1 314.320 2.731 20 0 DFADMM CC(C)(C)c1nccc(Oc2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824141580 607866479 /nfs/dbraw/zinc/86/64/79/607866479.db2.gz JXSASILNAOOKFX-UHFFFAOYSA-N -1 1 314.324 2.886 20 0 DFADMM CC(C)(C)c1nccc(Oc2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824141580 607866480 /nfs/dbraw/zinc/86/64/80/607866480.db2.gz JXSASILNAOOKFX-UHFFFAOYSA-N -1 1 314.324 2.886 20 0 DFADMM CC(C)C(=O)Nc1ccc(Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000824184950 607894672 /nfs/dbraw/zinc/89/46/72/607894672.db2.gz OORYGZURRHWBQE-UHFFFAOYSA-N -1 1 323.360 2.600 20 0 DFADMM CC(C)C(=O)Nc1ccc(Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000824184950 607894673 /nfs/dbraw/zinc/89/46/73/607894673.db2.gz OORYGZURRHWBQE-UHFFFAOYSA-N -1 1 323.360 2.600 20 0 DFADMM CC(C)OCc1ccc(Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000824315689 607896972 /nfs/dbraw/zinc/89/69/72/607896972.db2.gz UIGDDDGMNOUINX-UHFFFAOYSA-N -1 1 310.361 2.930 20 0 DFADMM CC(C)OCc1ccc(Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000824315689 607896973 /nfs/dbraw/zinc/89/69/73/607896973.db2.gz UIGDDDGMNOUINX-UHFFFAOYSA-N -1 1 310.361 2.930 20 0 DFADMM CCOc1ccc(Nc2cccc(-c3nnn[n-]3)n2)cc1F ZINC000825643279 607897367 /nfs/dbraw/zinc/89/73/67/607897367.db2.gz KNXVDVLZQHNAEC-UHFFFAOYSA-N -1 1 300.297 2.543 20 0 DFADMM CCOc1ccc(Nc2cccc(-c3nn[n-]n3)n2)cc1F ZINC000825643279 607897368 /nfs/dbraw/zinc/89/73/68/607897368.db2.gz KNXVDVLZQHNAEC-UHFFFAOYSA-N -1 1 300.297 2.543 20 0 DFADMM COc1ccccc1CC(C)(C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000826219567 607901931 /nfs/dbraw/zinc/90/19/31/607901931.db2.gz ICMRFVSVLIVUGZ-UHFFFAOYSA-N -1 1 324.388 2.704 20 0 DFADMM COc1ccccc1CC(C)(C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000826219567 607901932 /nfs/dbraw/zinc/90/19/32/607901932.db2.gz ICMRFVSVLIVUGZ-UHFFFAOYSA-N -1 1 324.388 2.704 20 0 DFADMM Cc1nnc(Oc2ccc(Cl)c(F)c2)c(-c2nnn[n-]2)c1C ZINC000826337042 608053036 /nfs/dbraw/zinc/05/30/36/608053036.db2.gz ZREQKSXRJJIBJE-UHFFFAOYSA-N -1 1 320.715 2.858 20 0 DFADMM Cc1nnc(Oc2ccc(Cl)c(F)c2)c(-c2nn[n-]n2)c1C ZINC000826337042 608053037 /nfs/dbraw/zinc/05/30/37/608053037.db2.gz ZREQKSXRJJIBJE-UHFFFAOYSA-N -1 1 320.715 2.858 20 0 DFADMM Clc1nsc(N2CCc3ccccc32)c1-c1nnn[n-]1 ZINC000826353796 608169179 /nfs/dbraw/zinc/16/91/79/608169179.db2.gz DNNBCCASQPLQFE-UHFFFAOYSA-N -1 1 304.766 2.671 20 0 DFADMM Clc1nsc(N2CCc3ccccc32)c1-c1nn[n-]n1 ZINC000826353796 608169181 /nfs/dbraw/zinc/16/91/81/608169181.db2.gz DNNBCCASQPLQFE-UHFFFAOYSA-N -1 1 304.766 2.671 20 0 DFADMM Clc1nsc(N2CC[C@@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC000826354039 608177156 /nfs/dbraw/zinc/17/71/56/608177156.db2.gz NUCVDMAFKVCLJC-SECBINFHSA-N -1 1 318.793 2.928 20 0 DFADMM Clc1nsc(N2CC[C@@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC000826354039 608177158 /nfs/dbraw/zinc/17/71/58/608177158.db2.gz NUCVDMAFKVCLJC-SECBINFHSA-N -1 1 318.793 2.928 20 0 DFADMM Clc1nsc(N2CCC[C@@H]3CCC[C@H]32)c1-c1nn[n-]n1 ZINC000826353935 608186263 /nfs/dbraw/zinc/18/62/63/608186263.db2.gz JSEAUFUWCPFECB-JGVFFNPUSA-N -1 1 310.814 2.746 20 0 DFADMM Clc1nsc(N2CCC[C@@H]3CCC[C@H]32)c1-c1nnn[n-]1 ZINC000826353935 608186261 /nfs/dbraw/zinc/18/62/61/608186261.db2.gz JSEAUFUWCPFECB-JGVFFNPUSA-N -1 1 310.814 2.746 20 0 DFADMM C[C@H]1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C[C@H]1C ZINC000824962352 608303333 /nfs/dbraw/zinc/30/33/33/608303333.db2.gz TYTOONFDUPJECB-NWDGAFQWSA-N -1 1 308.389 2.897 20 0 DFADMM C[C@H]1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C[C@H]1C ZINC000824962352 608303335 /nfs/dbraw/zinc/30/33/35/608303335.db2.gz TYTOONFDUPJECB-NWDGAFQWSA-N -1 1 308.389 2.897 20 0 DFADMM CO[C@H]1CCC[C@@H]1CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000826146304 608417180 /nfs/dbraw/zinc/41/71/80/608417180.db2.gz SXTXAVPLOYCHKZ-BZNIZROVSA-N -1 1 324.388 2.642 20 0 DFADMM CO[C@H]1CCC[C@@H]1CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000826146304 608417181 /nfs/dbraw/zinc/41/71/81/608417181.db2.gz SXTXAVPLOYCHKZ-BZNIZROVSA-N -1 1 324.388 2.642 20 0 DFADMM c1cc(Nc2ccc(-c3nnn[n-]3)nn2)cc(NC2CCCC2)c1 ZINC000826516989 608419984 /nfs/dbraw/zinc/41/99/84/608419984.db2.gz LKNIKIQGOSQTNP-UHFFFAOYSA-N -1 1 322.376 2.755 20 0 DFADMM c1cc(Nc2ccc(-c3nn[n-]n3)nn2)cc(NC2CCCC2)c1 ZINC000826516989 608419985 /nfs/dbraw/zinc/41/99/85/608419985.db2.gz LKNIKIQGOSQTNP-UHFFFAOYSA-N -1 1 322.376 2.755 20 0 DFADMM c1ccc2c(c1)CCC[C@H]2Sc1ccc(-c2nnn[n-]2)nn1 ZINC000826523498 608432787 /nfs/dbraw/zinc/43/27/87/608432787.db2.gz ONULHIHICWPNEM-CYBMUJFWSA-N -1 1 310.386 2.826 20 0 DFADMM c1ccc2c(c1)CCC[C@H]2Sc1ccc(-c2nn[n-]n2)nn1 ZINC000826523498 608432788 /nfs/dbraw/zinc/43/27/88/608432788.db2.gz ONULHIHICWPNEM-CYBMUJFWSA-N -1 1 310.386 2.826 20 0 DFADMM Cc1ccc(-c2nn[n-]n2)nc1N(C)Cc1ccccc1Cl ZINC000826280062 608541203 /nfs/dbraw/zinc/54/12/03/608541203.db2.gz MNOCMDCLKNCTBH-UHFFFAOYSA-N -1 1 314.780 2.860 20 0 DFADMM COc1ccc(F)cc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000826208868 608568831 /nfs/dbraw/zinc/56/88/31/608568831.db2.gz CZTMWMBSAUVWJH-UHFFFAOYSA-N -1 1 305.338 2.688 20 0 DFADMM Clc1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)nc1 ZINC000826352383 608585795 /nfs/dbraw/zinc/58/57/95/608585795.db2.gz YPUUKJHEXUSWPV-UHFFFAOYSA-N -1 1 322.159 2.576 20 0 DFADMM Clc1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)nc1 ZINC000826352383 608585797 /nfs/dbraw/zinc/58/57/97/608585797.db2.gz YPUUKJHEXUSWPV-UHFFFAOYSA-N -1 1 322.159 2.576 20 0 DFADMM Cc1csc([C@H]2CCCN2Cc2ccc(-c3nnn[n-]3)o2)n1 ZINC000826320541 608663891 /nfs/dbraw/zinc/66/38/91/608663891.db2.gz UZJUWBIGJDPURB-LLVKDONJSA-N -1 1 316.390 2.562 20 0 DFADMM c1csc([C@@H]2CCCCN2Cc2ccc(-c3nnn[n-]3)o2)n1 ZINC000826526025 608665389 /nfs/dbraw/zinc/66/53/89/608665389.db2.gz IHXGTXRNOWXXQB-NSHDSACASA-N -1 1 316.390 2.643 20 0 DFADMM c1csc([C@@H]2CCCCN2Cc2ccc(-c3nn[n-]n3)o2)n1 ZINC000826526025 608665391 /nfs/dbraw/zinc/66/53/91/608665391.db2.gz IHXGTXRNOWXXQB-NSHDSACASA-N -1 1 316.390 2.643 20 0 DFADMM Fc1cccc(F)c1COc1cccc(F)c1-c1nnn[n-]1 ZINC000826377267 609517862 /nfs/dbraw/zinc/51/78/62/609517862.db2.gz LDPNMTJZGXLCPB-UHFFFAOYSA-N -1 1 306.247 2.863 20 0 DFADMM Fc1cccc(F)c1COc1cccc(F)c1-c1nn[n-]n1 ZINC000826377267 609517863 /nfs/dbraw/zinc/51/78/63/609517863.db2.gz LDPNMTJZGXLCPB-UHFFFAOYSA-N -1 1 306.247 2.863 20 0 DFADMM C[C@@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC(C)(C)C1 ZINC000824991705 609592279 /nfs/dbraw/zinc/59/22/79/609592279.db2.gz FMIQKUITSVUFQU-VIFPVBQESA-N -1 1 306.801 2.788 20 0 DFADMM C[C@@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC(C)(C)C1 ZINC000824991705 609592281 /nfs/dbraw/zinc/59/22/81/609592281.db2.gz FMIQKUITSVUFQU-VIFPVBQESA-N -1 1 306.801 2.788 20 0 DFADMM CN(C[C@@H]1CC=CCC1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000825908522 609594484 /nfs/dbraw/zinc/59/44/84/609594484.db2.gz JABWUQZMKYOHSG-SNVBAGLBSA-N -1 1 304.785 2.708 20 0 DFADMM CN(C[C@@H]1CC=CCC1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000825908522 609594487 /nfs/dbraw/zinc/59/44/87/609594487.db2.gz JABWUQZMKYOHSG-SNVBAGLBSA-N -1 1 304.785 2.708 20 0 DFADMM C[C@@H]1C[C@H](CCNc2ccc(Cl)c(-c3nnn[n-]3)n2)CCO1 ZINC000824886313 609596539 /nfs/dbraw/zinc/59/65/39/609596539.db2.gz WZTCWLAXHSTGQM-NXEZZACHSA-N -1 1 322.800 2.532 20 0 DFADMM C[C@@H]1C[C@H](CCNc2ccc(Cl)c(-c3nn[n-]n3)n2)CCO1 ZINC000824886313 609596540 /nfs/dbraw/zinc/59/65/40/609596540.db2.gz WZTCWLAXHSTGQM-NXEZZACHSA-N -1 1 322.800 2.532 20 0 DFADMM CCO[C@H]1C[C@H](NC(=O)c2ccc([O-])cc2F)C12CCCC2 ZINC000181245343 199271090 /nfs/dbraw/zinc/27/10/90/199271090.db2.gz SLOQSNSMCWAERN-GJZGRUSLSA-N -1 1 307.365 2.999 20 0 DFADMM CCO[C@H]1C[C@@H](NC(=O)c2ccc([O-])cc2F)C12CCCC2 ZINC000181245377 199271188 /nfs/dbraw/zinc/27/11/88/199271188.db2.gz SLOQSNSMCWAERN-CABCVRRESA-N -1 1 307.365 2.999 20 0 DFADMM C[C@@H](Cn1ccc2ccccc21)C(=O)[N-]O[C@H]1CCCCO1 ZINC000286550508 219048817 /nfs/dbraw/zinc/04/88/17/219048817.db2.gz UUHDKILCNDKJCD-BBRMVZONSA-N -1 1 302.374 2.852 20 0 DFADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1COc2ccccc2O1 ZINC000082192683 185174446 /nfs/dbraw/zinc/17/44/46/185174446.db2.gz OYKRZTFMCLTVEV-AWEZNQCLSA-N -1 1 305.717 2.824 20 0 DFADMM CO[C@H](C)c1nc(CS(=O)(=O)c2ccc([O-])cc2)cs1 ZINC000083025749 185211433 /nfs/dbraw/zinc/21/14/33/185211433.db2.gz CUPCOFAWUNBBKJ-SECBINFHSA-N -1 1 313.400 2.530 20 0 DFADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000007053401 398358229 /nfs/dbraw/zinc/35/82/29/398358229.db2.gz UPBOJUNMPZTUBD-UHFFFAOYSA-N -1 1 319.382 2.973 20 0 DFADMM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C)cc1F ZINC000007428141 398362456 /nfs/dbraw/zinc/36/24/56/398362456.db2.gz COVRJPXTQMNANM-UHFFFAOYSA-N -1 1 323.345 2.722 20 0 DFADMM Cc1cc(C)c(CNC(=O)c2ccc3ccccc3c2[O-])c(=O)[nH]1 ZINC000010458971 398378632 /nfs/dbraw/zinc/37/86/32/398378632.db2.gz XEYMPPRIYVYFGR-UHFFFAOYSA-N -1 1 322.364 2.781 20 0 DFADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1C(N)=O ZINC000066587181 398385885 /nfs/dbraw/zinc/38/58/85/398385885.db2.gz HJWLCHYWKVSBBX-UHFFFAOYSA-N -1 1 324.789 2.548 20 0 DFADMM CCn1c(CNC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)n[n-]c1=S ZINC000066636606 398389742 /nfs/dbraw/zinc/38/97/42/398389742.db2.gz OLFWOLRIGAJWSI-NXEZZACHSA-N -1 1 322.459 2.750 20 0 DFADMM CCn1c(CNC(=O)[C@@H]2C[C@@H]2c2ccc(C)s2)n[n-]c1=S ZINC000066636604 398390018 /nfs/dbraw/zinc/39/00/18/398390018.db2.gz OLFWOLRIGAJWSI-VHSXEESVSA-N -1 1 322.459 2.750 20 0 DFADMM CC(C)Cc1ccc([C@@H](NCc2n[nH]c(=O)[n-]2)C(C)C)cc1 ZINC000092619206 185329585 /nfs/dbraw/zinc/32/95/85/185329585.db2.gz TTWPFHPSWGWZNH-INIZCTEOSA-N -1 1 302.422 2.783 20 0 DFADMM O=C(CSc1nnnn1C1CCCCC1)c1ccc([O-])cc1 ZINC000016295650 398399300 /nfs/dbraw/zinc/39/93/00/398399300.db2.gz PKGPURNVWWEHMP-UHFFFAOYSA-N -1 1 318.402 2.859 20 0 DFADMM CC1CCN(C(=O)Cn2c(=S)[n-]nc2-c2cccs2)CC1 ZINC000017355640 398403742 /nfs/dbraw/zinc/40/37/42/398403742.db2.gz ZXJLQZHUSPBHQK-UHFFFAOYSA-N -1 1 322.459 2.928 20 0 DFADMM O=S(=O)([N-]c1cccc(O)c1F)c1ccccc1Cl ZINC000127893528 282961520 /nfs/dbraw/zinc/96/15/20/282961520.db2.gz FEJMJEGWWKPYST-UHFFFAOYSA-N -1 1 301.726 2.986 20 0 DFADMM CCC(CC)(CC(=O)Nc1ccc([N+](=O)[O-])cc1O)C(=O)[O-] ZINC000022730337 398420509 /nfs/dbraw/zinc/42/05/09/398420509.db2.gz DSCBGNUZNACEBT-UHFFFAOYSA-N -1 1 310.306 2.520 20 0 DFADMM Cc1ccc2c(c1)[C@@H](NC(=O)c1nc3ccccc3c(=O)[n-]1)CC2 ZINC000592469820 398430444 /nfs/dbraw/zinc/43/04/44/398430444.db2.gz GLXXNVTYCAUIOX-INIZCTEOSA-N -1 1 319.364 2.649 20 0 DFADMM CCN(CCC(=O)[O-])Cc1cc(OC)ccc1Br ZINC000087790185 398432299 /nfs/dbraw/zinc/43/22/99/398432299.db2.gz DNNZLQYZLGWNQI-UHFFFAOYSA-N -1 1 316.195 2.754 20 0 DFADMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000068075086 398477534 /nfs/dbraw/zinc/47/75/34/398477534.db2.gz NLAYXSFXTNDRLV-UHFFFAOYSA-N -1 1 307.346 2.965 20 0 DFADMM COC(=O)c1cc([C@@H](C)S(=O)(=O)c2ccc([O-])cc2)oc1C ZINC000292280161 398482402 /nfs/dbraw/zinc/48/24/02/398482402.db2.gz HZYNDKDRUUGRNN-SNVBAGLBSA-N -1 1 324.354 2.615 20 0 DFADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(NC(N)=O)c2)c1 ZINC000029322098 398483542 /nfs/dbraw/zinc/48/35/42/398483542.db2.gz YCNNGZLRPQLZFY-UHFFFAOYSA-N -1 1 319.386 2.595 20 0 DFADMM CN(C)[C@@H](CN=c1[n-]c(-c2ccccc2)no1)c1ccccc1 ZINC000588159018 398485923 /nfs/dbraw/zinc/48/59/23/398485923.db2.gz MRCQTEJLFJKCLY-INIZCTEOSA-N -1 1 308.385 2.873 20 0 DFADMM CS(=O)(=O)c1ccc(SCC(=O)c2ccc([O-])cc2)cc1 ZINC000060393888 282442561 /nfs/dbraw/zinc/44/25/61/282442561.db2.gz KRPNVNHBCPAMIV-UHFFFAOYSA-N -1 1 322.407 2.771 20 0 DFADMM CC(C)n1c(=S)[n-]nc1C1CCN(C(=O)c2cc[nH]c2)CC1 ZINC000068447191 190767728 /nfs/dbraw/zinc/76/77/28/190767728.db2.gz IKLNTRNYROVPRM-UHFFFAOYSA-N -1 1 319.434 2.869 20 0 DFADMM COc1cc(C(=O)N[C@H]2CS[C@H](C)C2)cc(Cl)c1[O-] ZINC000413945665 295751208 /nfs/dbraw/zinc/75/12/08/295751208.db2.gz GHFYVKSWTZMXHJ-VXNVDRBHSA-N -1 1 301.795 2.678 20 0 DFADMM CC(C)SCC[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000286856947 219196800 /nfs/dbraw/zinc/19/68/00/219196800.db2.gz XSCXGXHZZQFIDN-UHFFFAOYSA-N -1 1 313.366 2.524 20 0 DFADMM O=C([O-])[C@@H]1Cc2ccccc2CN1Cc1cc(F)cc(F)c1 ZINC000318740265 398539933 /nfs/dbraw/zinc/53/99/33/398539933.db2.gz WEYNCIZEHODIHA-INIZCTEOSA-N -1 1 303.308 2.976 20 0 DFADMM O=C([O-])CCC1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000320337357 398547397 /nfs/dbraw/zinc/54/73/97/398547397.db2.gz ALYREGYNTHZZFC-UHFFFAOYSA-N -1 1 315.373 2.813 20 0 DFADMM CC(C)(C)[C@H]1CN(Cc2cc(=O)oc3cc([O-])ccc23)CCO1 ZINC000279749640 215113804 /nfs/dbraw/zinc/11/38/04/215113804.db2.gz LGNVOXIYAKYPOC-MRXNPFEDSA-N -1 1 317.385 2.746 20 0 DFADMM COc1cc([N-]S(=O)(=O)c2cccc(C)c2)cc(OC)c1 ZINC000069117415 398550235 /nfs/dbraw/zinc/55/02/35/398550235.db2.gz VPMQPAHMIIVPLF-UHFFFAOYSA-N -1 1 307.371 2.813 20 0 DFADMM Cc1ccc([C@@H](C)CNC(=O)/N=c2/ccnc3n(C)[n-]cc2-3)cc1 ZINC000287009354 219268159 /nfs/dbraw/zinc/26/81/59/219268159.db2.gz BODUZUAFAONYCG-ACIHENLCSA-N -1 1 323.400 2.575 20 0 DFADMM Cc1cnc(C(=O)N2CCC[C@@H](CC(C)(C)C(N)=O)C2)c([O-])c1 ZINC000331346155 233130311 /nfs/dbraw/zinc/13/03/11/233130311.db2.gz VWSNXNVOHRLATO-LBPRGKRZSA-N -1 1 319.405 2.899 20 0 DFADMM CCOC(=O)C(C)(C)n1cc([N-]c2nc(C(C)C)ns2)cn1 ZINC000092685210 398594737 /nfs/dbraw/zinc/59/47/37/398594737.db2.gz GUXXBMZMCHJFRE-UHFFFAOYSA-N -1 1 323.422 2.900 20 0 DFADMM COC1(c2noc(-c3[n-]cnc3C(=O)c3ccccc3)n2)CCC1 ZINC000350192353 398598917 /nfs/dbraw/zinc/59/89/17/398598917.db2.gz WHAPEJUIHSQMFR-UHFFFAOYSA-N -1 1 324.340 2.716 20 0 DFADMM C[S@](=O)c1cccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000350611492 398607801 /nfs/dbraw/zinc/60/78/01/398607801.db2.gz ONBWJDSYMLPIOM-QFIPXVFZSA-N -1 1 318.329 2.986 20 0 DFADMM C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000092928436 398607869 /nfs/dbraw/zinc/60/78/69/398607869.db2.gz SLFKIGLESSYAAC-GTNSWQLSSA-N -1 1 315.344 2.996 20 0 DFADMM O=C(N[C@H](c1cccc(F)c1)c1ccccn1)c1ncccc1[O-] ZINC000133784264 186011990 /nfs/dbraw/zinc/01/19/90/186011990.db2.gz NYQWEBSTHHTGFM-MRXNPFEDSA-N -1 1 323.327 2.841 20 0 DFADMM O=S(=O)([N-]C(C1CC1)C1CC1)c1cc(F)c(F)cc1F ZINC000170939548 197855624 /nfs/dbraw/zinc/85/56/24/197855624.db2.gz BXSJEFAFYYIIIH-UHFFFAOYSA-N -1 1 305.321 2.571 20 0 DFADMM O=c1cc(CN2CCOC3(CCCC3)C2)c2ccc([O-])cc2o1 ZINC000139775144 186023840 /nfs/dbraw/zinc/02/38/40/186023840.db2.gz MHUNAQOPWQYOEM-UHFFFAOYSA-N -1 1 315.369 2.644 20 0 DFADMM CCOC(=O)c1c[n-]c(NC(=O)c2csc3c2CCCC3)n1 ZINC000590356888 398616333 /nfs/dbraw/zinc/61/63/33/398616333.db2.gz WZUOTISRYIHHHI-UHFFFAOYSA-N -1 1 319.386 2.779 20 0 DFADMM Cc1cccc(C(C)(C)NC(=O)/N=c2/ccnc3n(C)[n-]cc2-3)c1 ZINC000287184981 219366126 /nfs/dbraw/zinc/36/61/26/219366126.db2.gz NUBPZVNDGPZSOE-QNGOZBTKSA-N -1 1 323.400 2.707 20 0 DFADMM CC(C)(C)OC(=O)[C@@H](C(=O)Nc1ccc(F)cc1[O-])C1CC1 ZINC000597441955 398641406 /nfs/dbraw/zinc/64/14/06/398641406.db2.gz INNIOHPVSTVLPQ-CYBMUJFWSA-N -1 1 309.337 2.838 20 0 DFADMM O=C(CSC1CC1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000590647183 398644681 /nfs/dbraw/zinc/64/46/81/398644681.db2.gz HGGFVTSCIWZBQG-UHFFFAOYSA-N -1 1 319.426 2.709 20 0 DFADMM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000186022962 186232352 /nfs/dbraw/zinc/23/23/52/186232352.db2.gz MYYFPNCHFYPEFS-GIPNMCIBSA-N -1 1 315.291 2.782 20 0 DFADMM Cc1occc1CN(C)C(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000194227828 186270792 /nfs/dbraw/zinc/27/07/92/186270792.db2.gz OQCZMPLAZJEMNE-UHFFFAOYSA-N -1 1 311.341 2.817 20 0 DFADMM Cc1occc1CN(C)C(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000194227828 186270793 /nfs/dbraw/zinc/27/07/93/186270793.db2.gz OQCZMPLAZJEMNE-UHFFFAOYSA-N -1 1 311.341 2.817 20 0 DFADMM COC(=O)c1c[n-]c(SCC(=O)C(C)(C)c2ccccc2)n1 ZINC000280043385 215333687 /nfs/dbraw/zinc/33/36/87/215333687.db2.gz XGQSTPCYIOSZJY-UHFFFAOYSA-N -1 1 318.398 2.835 20 0 DFADMM CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000117986073 282748994 /nfs/dbraw/zinc/74/89/94/282748994.db2.gz CQPBPWGREOTWCG-CYBMUJFWSA-N -1 1 324.808 2.519 20 0 DFADMM COc1ccc([C@H](CC(=O)[O-])NCc2occc2C)cc1OC ZINC000277245619 213392279 /nfs/dbraw/zinc/39/22/79/213392279.db2.gz JNTVNNVXDBKITI-ZDUSSCGKSA-N -1 1 319.357 2.911 20 0 DFADMM CCOc1cc2c(cc1NC(=O)c1cncc([O-])c1)O[C@@H](C)C2 ZINC000171910063 198005891 /nfs/dbraw/zinc/00/58/91/198005891.db2.gz SKRIQYJQDPIJAG-JTQLQIEISA-N -1 1 314.341 2.762 20 0 DFADMM COc1ccc(C(=O)Nc2nnc(-c3ccco3)s2)c([O-])c1 ZINC000073118726 398662828 /nfs/dbraw/zinc/66/28/28/398662828.db2.gz YFWNMCGYVXBFPV-UHFFFAOYSA-N -1 1 317.326 2.765 20 0 DFADMM CS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000593623143 398663302 /nfs/dbraw/zinc/66/33/02/398663302.db2.gz VTCXAQIFJRYBSS-VXGBXAGGSA-N -1 1 321.414 2.917 20 0 DFADMM C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1C(=O)[O-] ZINC000385861359 398663535 /nfs/dbraw/zinc/66/35/35/398663535.db2.gz JSGIKSLCCMSSCA-BXKDBHETSA-N -1 1 312.753 2.791 20 0 DFADMM COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](CCC(=O)[O-])C1 ZINC000390632826 398671695 /nfs/dbraw/zinc/67/16/95/398671695.db2.gz FMRBTZRYRXSHFC-LBPRGKRZSA-N -1 1 322.361 2.680 20 0 DFADMM COc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3)c([O-])c1 ZINC000121684300 282813588 /nfs/dbraw/zinc/81/35/88/282813588.db2.gz SDRUEPGJKOCJFW-UHFFFAOYSA-N -1 1 312.325 2.538 20 0 DFADMM Cc1ncc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(C)C)s1 ZINC000445697873 297265053 /nfs/dbraw/zinc/26/50/53/297265053.db2.gz VAGYVIMSVXYDRF-QMMMGPOBSA-N -1 1 316.370 2.707 20 0 DFADMM Cc1cnc(C(=O)N2CCC[C@H]2c2noc(C(C)C)n2)c([O-])c1 ZINC000331854256 234198038 /nfs/dbraw/zinc/19/80/38/234198038.db2.gz 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CC[C@](C)(CNC(=O)c1ccc(Br)cc1[O-])OC ZINC000323217784 268349636 /nfs/dbraw/zinc/34/96/36/268349636.db2.gz KWBINVCAAIEACI-CYBMUJFWSA-N -1 1 316.195 2.700 20 0 DFADMM Cc1nc(SCC(=O)N(CC(C)C)C(C)C)[n-]c(=O)c1C ZINC000330675822 268354034 /nfs/dbraw/zinc/35/40/34/268354034.db2.gz JQUUPBDTHRLYDB-UHFFFAOYSA-N -1 1 311.451 2.784 20 0 DFADMM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1c(C)cccc1C ZINC000330847254 268354773 /nfs/dbraw/zinc/35/47/73/268354773.db2.gz COKKAKRXBXLUKP-LLVKDONJSA-N -1 1 308.403 2.948 20 0 DFADMM Cc1nc(S(=O)(=O)[N-][C@H]2CCc3ccccc3C2)sc1C ZINC000333020924 268369571 /nfs/dbraw/zinc/36/95/71/268369571.db2.gz IYMUXQOIARVCGM-AWEZNQCLSA-N -1 1 322.455 2.596 20 0 DFADMM CC(C)c1ncsc1[N-]S(=O)(=O)N1CCCCCC1 ZINC000333270684 268387996 /nfs/dbraw/zinc/38/79/96/268387996.db2.gz CKUJMEBWXZVWGG-UHFFFAOYSA-N -1 1 303.453 2.799 20 0 DFADMM Cc1noc(C)c1C(=O)[N-]c1nc(Cc2ccccc2)ns1 ZINC000107198103 425985131 /nfs/dbraw/zinc/98/51/31/425985131.db2.gz MKTZQSCEYGXTAD-UHFFFAOYSA-N -1 1 314.370 2.986 20 0 DFADMM Cc1ocnc1C(=O)[N-]c1nc(Cc2ccccc2)ns1 ZINC000107197413 425985698 /nfs/dbraw/zinc/98/56/98/425985698.db2.gz LXZIDVUMLBDZJS-UHFFFAOYSA-N -1 1 300.343 2.678 20 0 DFADMM Cc1ocnc1C(=O)[N-]c1nnc(Cc2cccc(F)c2)s1 ZINC000107165052 425985754 /nfs/dbraw/zinc/98/57/54/425985754.db2.gz ZPWUAEQWMWPXSS-UHFFFAOYSA-N -1 1 318.333 2.817 20 0 DFADMM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)CC(C)(C)C)o1 ZINC000107697913 426001017 /nfs/dbraw/zinc/00/10/17/426001017.db2.gz MAJMPSAKHRULPQ-UHFFFAOYSA-N -1 1 317.407 2.559 20 0 DFADMM O=C(NC[C@H](O)Cc1ccccc1)c1cc2ccccc2cc1[O-] ZINC000104910260 425966409 /nfs/dbraw/zinc/96/64/09/425966409.db2.gz DZWIZEAKEZTHPC-QGZVFWFLSA-N -1 1 321.376 2.879 20 0 DFADMM O=C([O-])[C@@H]1CCCN(Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000070458610 425972355 /nfs/dbraw/zinc/97/23/55/425972355.db2.gz SMUQOSMPWNBIQU-LLVKDONJSA-N -1 1 321.764 2.687 20 0 DFADMM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2nc(-c3ccco3)n[nH]2)c1 ZINC000106904178 425979177 /nfs/dbraw/zinc/97/91/77/425979177.db2.gz YOLGVZQPLXHYOG-QWHCGFSZSA-N -1 1 324.340 2.816 20 0 DFADMM Cc1cccc(C)c1OCCCNC(=O)c1cncc([O-])c1 ZINC000111578435 426052890 /nfs/dbraw/zinc/05/28/90/426052890.db2.gz OSDWSJHLKBANIQ-UHFFFAOYSA-N -1 1 300.358 2.603 20 0 DFADMM O=C(c1cncc([O-])c1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000111607965 426053601 /nfs/dbraw/zinc/05/36/01/426053601.db2.gz DXKOGELQEUGDDA-OAHLLOKOSA-N -1 1 318.760 2.654 20 0 DFADMM Cn1cnc2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc21 ZINC000074837681 426057716 /nfs/dbraw/zinc/05/77/16/426057716.db2.gz BOFHTCBYGOWWLO-UHFFFAOYSA-N -1 1 305.334 2.513 20 0 DFADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)cc1 ZINC000126151591 426008265 /nfs/dbraw/zinc/00/82/65/426008265.db2.gz MMYOKGOEFZTCLM-UHFFFAOYSA-N -1 1 307.375 2.537 20 0 DFADMM CCC1(CC)[C@H](N=c2nc([C@H](C)OC)[n-]s2)[C@@H](C)[C@@H]1OC ZINC000337784308 268546971 /nfs/dbraw/zinc/54/69/71/268546971.db2.gz AGAYSWWDRDJGLK-KXNHARMFSA-N -1 1 313.467 2.919 20 0 DFADMM O=C(N[C@@H](c1nccs1)c1ccccc1)c1ncccc1[O-] ZINC000126401482 426018374 /nfs/dbraw/zinc/01/83/74/426018374.db2.gz URQFZGXTKKPMDB-CYBMUJFWSA-N -1 1 311.366 2.763 20 0 DFADMM Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCC[C@H](C(=O)[O-])C1 ZINC000164608016 426115412 /nfs/dbraw/zinc/11/54/12/426115412.db2.gz YQFICFXZXRBDMT-NEPJUHHUSA-N -1 1 324.808 2.772 20 0 DFADMM CC(C)[C@@H]1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)CCS1 ZINC000075540508 426077492 /nfs/dbraw/zinc/07/74/92/426077492.db2.gz MXLQBWCHGVFOMY-ZDUSSCGKSA-N -1 1 317.414 2.549 20 0 DFADMM Cc1cc(C)c2[nH]cc(C(=O)[N-]O[C@H]3CCCCO3)c(=O)c2c1 ZINC000162895224 426081675 /nfs/dbraw/zinc/08/16/75/426081675.db2.gz XFRHSBYPCHBFRX-AWEZNQCLSA-N -1 1 316.357 2.745 20 0 DFADMM CC[C@H](C)C(=O)Nc1nc(Cc2n[n-]c(=S)n2C)cs1 ZINC000170688377 426144842 /nfs/dbraw/zinc/14/48/42/426144842.db2.gz DLIVTXJZTWJSHA-ZETCQYMHSA-N -1 1 311.436 2.510 20 0 DFADMM C[C@@H]1CN(C(=O)c2cc(Br)ccc2[O-])CCS1 ZINC000170901790 426158994 /nfs/dbraw/zinc/15/89/94/426158994.db2.gz RBCLYPHYZSSVNX-MRVPVSSYSA-N -1 1 316.220 2.732 20 0 DFADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(C[S@@](C)=O)c1 ZINC000115313478 426161172 /nfs/dbraw/zinc/16/11/72/426161172.db2.gz MXZGACWCHYZVQK-FQEVSTJZSA-N -1 1 323.439 2.674 20 0 DFADMM CN(CCOc1cccc(Cl)c1)C(=O)c1ncccc1[O-] ZINC000171237677 426178822 /nfs/dbraw/zinc/17/88/22/426178822.db2.gz MJSRAEVNTLYJKM-UHFFFAOYSA-N -1 1 306.749 2.592 20 0 DFADMM COc1cc(C)c([C@H](C)NC(=O)c2ncccc2[O-])cc1OC ZINC000171255016 426179665 /nfs/dbraw/zinc/17/96/65/426179665.db2.gz SSGFDKCRLCIKGV-NSHDSACASA-N -1 1 316.357 2.604 20 0 DFADMM CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2c([O-])cccc2F)C1 ZINC000078806948 426186925 /nfs/dbraw/zinc/18/69/25/426186925.db2.gz JQDVEAUJWQNJHS-NSHDSACASA-N -1 1 322.380 2.755 20 0 DFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCCC(C)(C)C ZINC000081803168 426225847 /nfs/dbraw/zinc/22/58/47/426225847.db2.gz IKQFBMIZRQKXTN-UHFFFAOYSA-N -1 1 307.438 2.932 20 0 DFADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000135906191 426230781 /nfs/dbraw/zinc/23/07/81/426230781.db2.gz JJODBFKDKFULSE-SNVBAGLBSA-N -1 1 322.792 2.775 20 0 DFADMM CCC[C@H](NC(=O)CCCc1cc(C)sc1C)c1nn[n-]n1 ZINC000136664583 426243535 /nfs/dbraw/zinc/24/35/35/426243535.db2.gz OQVUQDYKEJRPJU-ZDUSSCGKSA-N -1 1 321.450 2.858 20 0 DFADMM CCC[C@@H](NC(=O)C=C(C)c1ccccc1Cl)c1nn[n-]n1 ZINC000136718300 426244287 /nfs/dbraw/zinc/24/42/87/426244287.db2.gz GBYFJNYXMWFQMG-ASCRHOAZSA-N -1 1 319.796 2.914 20 0 DFADMM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1ncccc1[O-] ZINC000119093322 426261592 /nfs/dbraw/zinc/26/15/92/426261592.db2.gz HFDOIJACRIEHMV-JTQLQIEISA-N -1 1 302.378 2.538 20 0 DFADMM O=C(N[C@@H]1CCSc2c(F)cccc21)c1cncc([O-])c1 ZINC000171763773 426210449 /nfs/dbraw/zinc/21/04/49/426210449.db2.gz JWIYKKTUKAGBPC-CYBMUJFWSA-N -1 1 304.346 2.893 20 0 DFADMM CC(C)[C@@H](C(=O)NCCc1n[n-]c(=S)n1C)c1ccccc1 ZINC000080038517 426211001 /nfs/dbraw/zinc/21/10/01/426211001.db2.gz IVDXECBHZZPBLM-CQSZACIVSA-N -1 1 318.446 2.576 20 0 DFADMM O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1cncc([O-])c1 ZINC000171866429 426216711 /nfs/dbraw/zinc/21/67/11/426216711.db2.gz JNVBCJCNKPYTGM-PBHICJAKSA-N -1 1 312.369 2.685 20 0 DFADMM Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000175223092 426288899 /nfs/dbraw/zinc/28/88/99/426288899.db2.gz HEMXSOHDBLBRTA-AWEZNQCLSA-N -1 1 317.364 2.859 20 0 DFADMM Cc1cscc1NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000151347116 426291363 /nfs/dbraw/zinc/29/13/63/426291363.db2.gz JKABLCYGSRXEID-UHFFFAOYSA-N -1 1 305.403 2.998 20 0 DFADMM O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccccc1[O-] ZINC000119705568 426301619 /nfs/dbraw/zinc/30/16/19/426301619.db2.gz QVRCCSPBYTUSST-UHFFFAOYSA-N -1 1 310.353 2.881 20 0 DFADMM C[C@H](c1cccc(Cl)c1)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000151802761 426312919 /nfs/dbraw/zinc/31/29/19/426312919.db2.gz UYULFDDYXFITAZ-MRVPVSSYSA-N -1 1 311.794 2.870 20 0 DFADMM O=C(NCc1cccc(-c2ccccn2)c1)c1ncccc1[O-] ZINC000120979114 426318300 /nfs/dbraw/zinc/31/83/00/426318300.db2.gz SOQOVKORTCOLGE-UHFFFAOYSA-N -1 1 305.337 2.779 20 0 DFADMM O=c1cc(C(F)(F)F)nc(CNc2cc(F)ccc2F)[n-]1 ZINC000090371175 426326463 /nfs/dbraw/zinc/32/64/63/426326463.db2.gz NWWNCOUNNBAWGH-UHFFFAOYSA-N -1 1 305.206 2.679 20 0 DFADMM Cc1nc(C2(NC(=O)c3ccc(Cl)cc3[O-])CCCC2)no1 ZINC000121303996 426332710 /nfs/dbraw/zinc/33/27/10/426332710.db2.gz BZBQRVCCWNIKJY-UHFFFAOYSA-N -1 1 321.764 2.936 20 0 DFADMM C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000175863698 426334409 /nfs/dbraw/zinc/33/44/09/426334409.db2.gz SAZLOSKFPINQSY-SECBINFHSA-N -1 1 313.781 2.848 20 0 DFADMM C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)c1cncc([O-])c1 ZINC000339916758 268916068 /nfs/dbraw/zinc/91/60/68/268916068.db2.gz XLHQCDUWHWTTFC-SECBINFHSA-N -1 1 304.296 2.825 20 0 DFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CC[C@H](C)CC1 ZINC000176259947 426364017 /nfs/dbraw/zinc/36/40/17/426364017.db2.gz IXPOQLXEYPOVRZ-KLPPZKSPSA-N -1 1 305.422 2.684 20 0 DFADMM Cc1ccc2nc([C@H]3CCCN3C(=O)c3ncccc3O)[nH]c2c1 ZINC000153816009 426407441 /nfs/dbraw/zinc/40/74/41/426407441.db2.gz DDPXYVGDODVURZ-CQSZACIVSA-N -1 1 322.368 2.949 20 0 DFADMM Cc1ccc2[nH]c([C@H]3CCCN3C(=O)c3ncccc3[O-])nc2c1 ZINC000153816009 426407445 /nfs/dbraw/zinc/40/74/45/426407445.db2.gz DDPXYVGDODVURZ-CQSZACIVSA-N -1 1 322.368 2.949 20 0 DFADMM Cc1ccc2nc([C@H]3CCCN3C(=O)c3ncccc3[O-])[nH]c2c1 ZINC000153816009 426407448 /nfs/dbraw/zinc/40/74/48/426407448.db2.gz DDPXYVGDODVURZ-CQSZACIVSA-N -1 1 322.368 2.949 20 0 DFADMM COC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1C ZINC000176722155 426407665 /nfs/dbraw/zinc/40/76/65/426407665.db2.gz JDIMUYLSDRZEKS-UHFFFAOYSA-N -1 1 305.355 2.582 20 0 DFADMM CCC[C@@H](NC(=O)c1cc2c(s1)CC[C@@H](C)C2)c1nn[n-]n1 ZINC000176773491 426413534 /nfs/dbraw/zinc/41/35/34/426413534.db2.gz RPEDTYGNRKOVNH-MWLCHTKSSA-N -1 1 319.434 2.657 20 0 DFADMM CCc1nc2c(s1)[C@H](N(C)C(=O)c1ncccc1[O-])CCC2 ZINC000154002334 426418637 /nfs/dbraw/zinc/41/86/37/426418637.db2.gz CXWLJLIEMWOXQE-LLVKDONJSA-N -1 1 317.414 2.956 20 0 DFADMM C[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)[C@@H](C)c1ccccc1 ZINC000177027037 426435729 /nfs/dbraw/zinc/43/57/29/426435729.db2.gz FXYVDMNXXSASKW-OLZOCXBDSA-N -1 1 321.380 2.845 20 0 DFADMM CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000340873340 269025301 /nfs/dbraw/zinc/02/53/01/269025301.db2.gz BTCUTPFKTXTBLD-WCBMZHEXSA-N -1 1 307.337 2.961 20 0 DFADMM COC[C@@](C)(NCc1cc(-c2ccccc2)cs1)C(=O)[O-] ZINC000340699804 269001264 /nfs/dbraw/zinc/00/12/64/269001264.db2.gz VTRQUCVSNVSQBP-MRXNPFEDSA-N -1 1 305.399 2.994 20 0 DFADMM C[C@H](Nc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(F)c2ccccc21 ZINC000340773286 269010871 /nfs/dbraw/zinc/01/08/71/269010871.db2.gz GCATYIMMGUTTPX-VIFPVBQESA-N -1 1 323.331 2.897 20 0 DFADMM CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000340873301 269025284 /nfs/dbraw/zinc/02/52/84/269025284.db2.gz BTCUTPFKTXTBLD-PSASIEDQSA-N -1 1 307.337 2.961 20 0 DFADMM CO[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000340973404 269030935 /nfs/dbraw/zinc/03/09/35/269030935.db2.gz PTVGPDOFXLJTFP-JOYOIKCWSA-N -1 1 321.801 2.573 20 0 DFADMM CCCCc1cc([N-]S(=O)(=O)c2ccc(COC)cc2)[nH]n1 ZINC000340993256 269034403 /nfs/dbraw/zinc/03/44/03/269034403.db2.gz LFNQYTXFHQBHPR-UHFFFAOYSA-N -1 1 323.418 2.700 20 0 DFADMM CC1(C)SC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000341080047 269040351 /nfs/dbraw/zinc/04/03/51/269040351.db2.gz RHEMQLLUZFXUSJ-SNVBAGLBSA-N -1 1 309.815 2.651 20 0 DFADMM C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccc([O-])cc1F ZINC000154835270 426457427 /nfs/dbraw/zinc/45/74/27/426457427.db2.gz KWAMQZHYSBKJRD-UHFFFAOYSA-N -1 1 316.376 2.735 20 0 DFADMM CC(C)[C@H](NC(=O)c1c([O-])cccc1F)c1nc(C2CC2)no1 ZINC000124111553 426470559 /nfs/dbraw/zinc/47/05/59/426470559.db2.gz NFBOEFPVEBQAMH-ZDUSSCGKSA-N -1 1 319.336 2.919 20 0 DFADMM CCc1ncsc1C(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000124156134 426472659 /nfs/dbraw/zinc/47/26/59/426472659.db2.gz BBMMASJQZFGFPU-UHFFFAOYSA-N -1 1 303.347 2.644 20 0 DFADMM COC(=O)[C@@]1(C)CCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000177394262 426475315 /nfs/dbraw/zinc/47/53/15/426475315.db2.gz VALIASZUANMQKK-SFHVURJKSA-N -1 1 313.353 2.571 20 0 DFADMM CC[C@H](C)[C@H](O)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000272396837 426515419 /nfs/dbraw/zinc/51/54/19/426515419.db2.gz BODOGCBSYXEUNY-KWQFWETISA-N -1 1 316.195 2.809 20 0 DFADMM CCc1cccc(S(=O)(=O)[N-]c2cc(CN(C)C)ccn2)c1 ZINC000177928683 426541252 /nfs/dbraw/zinc/54/12/52/426541252.db2.gz YAZYEOCIPNAYBN-UHFFFAOYSA-N -1 1 319.430 2.506 20 0 DFADMM CCOc1cc(C(=O)NC[C@@H]2CCCOC2)cc(Cl)c1[O-] ZINC000186667413 426574834 /nfs/dbraw/zinc/57/48/34/426574834.db2.gz JBDZIDCIUFPSCZ-JTQLQIEISA-N -1 1 313.781 2.601 20 0 DFADMM COc1cccc(OC)c1S(=O)(=O)[N-]c1ccccc1F ZINC000186904299 426605558 /nfs/dbraw/zinc/60/55/58/426605558.db2.gz TUYXMLYMDVBDLD-UHFFFAOYSA-N -1 1 311.334 2.644 20 0 DFADMM O=C(Nc1cc([C@H]2CCCOC2)[nH]n1)c1c(F)ccc([O-])c1F ZINC000289260826 426615856 /nfs/dbraw/zinc/61/58/56/426615856.db2.gz CAHCBCDHMXYNOC-QMMMGPOBSA-N -1 1 323.299 2.540 20 0 DFADMM O=c1nc([C@H]2CCCCN2Cc2ccc(Cl)c(F)c2)[nH][n-]1 ZINC000289394155 426646203 /nfs/dbraw/zinc/64/62/03/426646203.db2.gz RGNPSXGLBFPKHP-GFCCVEGCSA-N -1 1 310.760 2.618 20 0 DFADMM CCCOc1ncccc1CNC(=O)c1c(F)ccc([O-])c1F ZINC000280743621 426646744 /nfs/dbraw/zinc/64/67/44/426646744.db2.gz JXYBQQHDTVWZMY-UHFFFAOYSA-N -1 1 322.311 2.784 20 0 DFADMM O=c1nc([C@H]2CCCCN2Cc2ccc(F)cc2Cl)[nH][n-]1 ZINC000289405803 426650269 /nfs/dbraw/zinc/65/02/69/426650269.db2.gz SLQNVBSKZORFLE-GFCCVEGCSA-N -1 1 310.760 2.618 20 0 DFADMM O=C(N[C@@H]1CCOC2(CCCC2)C1)c1c(F)ccc([O-])c1F ZINC000289771290 426675596 /nfs/dbraw/zinc/67/55/96/426675596.db2.gz KOWLPFCJVUSMQE-SNVBAGLBSA-N -1 1 311.328 2.892 20 0 DFADMM O=C(C(=O)N1CCC(OC2CCCC2)CC1)c1ccc([O-])cc1 ZINC000280890204 426677525 /nfs/dbraw/zinc/67/75/25/426677525.db2.gz ZLHFVFJKXDHJIB-UHFFFAOYSA-N -1 1 317.385 2.525 20 0 DFADMM CCSc1cc(CNC(=O)c2ccc([O-])cc2F)ccn1 ZINC000187042524 426625334 /nfs/dbraw/zinc/62/53/34/426625334.db2.gz AVUYUUQCTBMTFJ-UHFFFAOYSA-N -1 1 306.362 2.968 20 0 DFADMM COc1cccc(F)c1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000187052880 426625566 /nfs/dbraw/zinc/62/55/66/426625566.db2.gz DMECOCXUENDBRL-UHFFFAOYSA-N -1 1 317.288 2.913 20 0 DFADMM CCOC(=O)c1cnc(C(C)=Cc2cccc(OC)c2)[n-]c1=O ZINC000188022150 426716151 /nfs/dbraw/zinc/71/61/51/426716151.db2.gz BEPHXSYXDIQAEB-DHZHZOJOSA-N -1 1 314.341 2.516 20 0 DFADMM Cc1cccc(CS(=O)(=O)[N-]c2cc(C3CC3)nc(C)n2)c1 ZINC000187757133 426691631 /nfs/dbraw/zinc/69/16/31/426691631.db2.gz YBZKCVZBACHMBA-UHFFFAOYSA-N -1 1 317.414 2.913 20 0 DFADMM O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(Cl)cc1[O-] ZINC000245795928 426771762 /nfs/dbraw/zinc/77/17/62/426771762.db2.gz JHXXAGAQRJPSJX-MRVWCRGKSA-N -1 1 307.777 2.733 20 0 DFADMM CCc1cc(=O)[n-]c(SCc2nc(-c3ccsc3)no2)n1 ZINC000188111058 426724681 /nfs/dbraw/zinc/72/46/81/426724681.db2.gz JPXLCYMOSYSHJI-UHFFFAOYSA-N -1 1 320.399 2.736 20 0 DFADMM O=C(c1c(F)ccc([O-])c1F)N1CCC([C@H]2CCCO2)CC1 ZINC000290285070 426731874 /nfs/dbraw/zinc/73/18/74/426731874.db2.gz ZMRZACKDEPIBLI-CYBMUJFWSA-N -1 1 311.328 2.702 20 0 DFADMM CCOC[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(C)C ZINC000188380598 426745881 /nfs/dbraw/zinc/74/58/81/426745881.db2.gz NRQKKAIUMMOPGA-LBPRGKRZSA-N -1 1 323.817 2.819 20 0 DFADMM C[C@H]1CN(C(=O)c2c[n-]c3c(cnn3C)c2=O)[C@@H]1c1ccccc1 ZINC000179525138 426797544 /nfs/dbraw/zinc/79/75/44/426797544.db2.gz QLGUUAUEFCKNSL-NHYWBVRUSA-N -1 1 322.368 2.507 20 0 DFADMM C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])[C@@H]1CCCO1 ZINC000180369800 426857255 /nfs/dbraw/zinc/85/72/55/426857255.db2.gz MIZYFHFSUOWEHJ-PELKAZGASA-N -1 1 303.280 2.708 20 0 DFADMM CC1(C)CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CCO1 ZINC000180391881 426857403 /nfs/dbraw/zinc/85/74/03/426857403.db2.gz RDAYWMOQJRPNCY-UHFFFAOYSA-N -1 1 303.280 2.662 20 0 DFADMM CN(CCC1CCCCC1)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000179470431 426792249 /nfs/dbraw/zinc/79/22/49/426792249.db2.gz KYBXTLRPDKFFQG-UHFFFAOYSA-N -1 1 316.405 2.716 20 0 DFADMM O=C(c1ccc([O-])cc1F)N1CCC=C(Br)C1 ZINC000282279145 426869791 /nfs/dbraw/zinc/86/97/91/426869791.db2.gz KXFHZFQPQNAUQG-UHFFFAOYSA-N -1 1 300.127 2.656 20 0 DFADMM 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[O-]c1ccc(-c2noc(C[C@@H](O)Cc3ccccc3)n2)cc1F ZINC000436955534 297047832 /nfs/dbraw/zinc/04/78/32/297047832.db2.gz KYCZCSHHCOFJCU-ZDUSSCGKSA-N -1 1 314.316 2.727 20 0 DFADMM O=C(NCc1ccn(-c2ccccc2)n1)c1c([O-])cccc1F ZINC000436962428 297048203 /nfs/dbraw/zinc/04/82/03/297048203.db2.gz XCDDGTTXTSAZNM-UHFFFAOYSA-N -1 1 311.316 2.647 20 0 DFADMM CC(=O)c1ccc(O)c(NC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000436974064 297049004 /nfs/dbraw/zinc/04/90/04/297049004.db2.gz ZYSUXNGMMQOYCY-UHFFFAOYSA-N -1 1 307.252 2.831 20 0 DFADMM O=C(N[C@@H]1CCCc2cc(F)ccc21)C(=O)c1ccc([O-])cc1 ZINC000436980877 297049735 /nfs/dbraw/zinc/04/97/35/297049735.db2.gz PHMRJRJFZDTTOW-MRXNPFEDSA-N -1 1 313.328 2.908 20 0 DFADMM CC(C)c1ccc(C(=O)Nc2n[nH]c(-c3ccncc3)n2)c([O-])c1 ZINC000436976480 297049392 /nfs/dbraw/zinc/04/93/92/297049392.db2.gz BUFFDQGJKMZNHO-UHFFFAOYSA-N -1 1 323.356 2.948 20 0 DFADMM CC(C)(CNC(=O)C(=O)c1ccc([O-])cc1)Oc1ccccc1 ZINC000437002216 297052112 /nfs/dbraw/zinc/05/21/12/297052112.db2.gz 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CN(Cc1nc2ccccc2n1C)C(=O)c1ccc([O-])c(F)c1 ZINC000681046173 545588191 /nfs/dbraw/zinc/58/81/91/545588191.db2.gz FZUVZKKCJHJILE-UHFFFAOYSA-N -1 1 313.332 2.690 20 0 DFADMM Cc1nc([C@H]2CCCCN2C(=O)c2ccc([O-])c(F)c2)no1 ZINC000681048248 545588813 /nfs/dbraw/zinc/58/88/13/545588813.db2.gz DBIHLSILURCWCU-GFCCVEGCSA-N -1 1 305.309 2.590 20 0 DFADMM C[C@H](CNC(=O)c1ccc([O-])c(F)c1)Oc1ccccc1F ZINC000681049875 545588911 /nfs/dbraw/zinc/58/89/11/545588911.db2.gz IPXIPVKTGUJSRG-SNVBAGLBSA-N -1 1 307.296 2.868 20 0 DFADMM CC(C)(O)COc1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000681053022 545589150 /nfs/dbraw/zinc/58/91/50/545589150.db2.gz OVJGSBKJRUQXLR-UHFFFAOYSA-N -1 1 319.332 2.933 20 0 DFADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@H]1[C@@H]1CCCCC1=O ZINC000681054381 545589737 /nfs/dbraw/zinc/58/97/37/545589737.db2.gz REABPKQLQYFQCH-JSGCOSHPSA-N -1 1 305.349 2.895 20 0 DFADMM Cc1cnccc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000681197186 545609301 /nfs/dbraw/zinc/60/93/01/545609301.db2.gz RREQFPPCJKIEBI-UHFFFAOYSA-N -1 1 324.380 2.831 20 0 DFADMM O=C([N-]c1nnc(CC(F)(F)F)s1)c1coc(C2CC2)n1 ZINC000681606291 545679397 /nfs/dbraw/zinc/67/93/97/545679397.db2.gz ZGEILMCMOXFUSP-UHFFFAOYSA-N -1 1 318.280 2.761 20 0 DFADMM CO[C@@H](CNC(=O)c1ncc(C)cc1[O-])c1ccccc1Cl ZINC000681739203 545711788 /nfs/dbraw/zinc/71/17/88/545711788.db2.gz JEJFMOJORNCNBC-AWEZNQCLSA-N -1 1 320.776 2.867 20 0 DFADMM COc1ccc(C(=O)Nc2cc(CO)c(C)cc2C)c([O-])c1 ZINC000682581621 545879038 /nfs/dbraw/zinc/87/90/38/545879038.db2.gz HYPLFOUVZXQUCG-UHFFFAOYSA-N -1 1 301.342 2.762 20 0 DFADMM CC[C@]1(NC(=O)c2ccc(C(F)(F)F)cc2[O-])CCOC1 ZINC000682981425 545953586 /nfs/dbraw/zinc/95/35/86/545953586.db2.gz WTNJGARSASGJRL-ZDUSSCGKSA-N -1 1 303.280 2.710 20 0 DFADMM CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2c([O-])cc(F)cc2F)n[nH]1 ZINC000683122080 545975959 /nfs/dbraw/zinc/97/59/59/545975959.db2.gz UIUPCROLPUEBIC-HTQZYQBOSA-N -1 1 324.331 2.793 20 0 DFADMM COc1ccc(CN[C@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000683172709 545983549 /nfs/dbraw/zinc/98/35/49/545983549.db2.gz GJNPNOXDIBLMHG-HNNXBMFYSA-N -1 1 307.296 2.889 20 0 DFADMM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(C)cn2)cc1 ZINC000683171209 545983792 /nfs/dbraw/zinc/98/37/92/545983792.db2.gz GVXBEGNKWVLLOJ-INIZCTEOSA-N -1 1 300.358 2.704 20 0 DFADMM CC1(C)CCCC[C@H]1C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000684127602 546155771 /nfs/dbraw/zinc/15/57/71/546155771.db2.gz MHLKEPYJCCFVGE-KBPBESRZSA-N -1 1 313.405 2.622 20 0 DFADMM O=C(NCc1nc(-c2cccs2)c[nH]1)c1ccc([O-])c(F)c1 ZINC000684296595 546190422 /nfs/dbraw/zinc/19/04/22/546190422.db2.gz ATGAXJLHTZMURY-UHFFFAOYSA-N -1 1 317.345 2.913 20 0 DFADMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C[C@@H](C)O1 ZINC000684868439 546295378 /nfs/dbraw/zinc/29/53/78/546295378.db2.gz BLXJROUIZQJFOA-RKDXNWHRSA-N -1 1 303.280 2.660 20 0 DFADMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)[C@@H](C)CO1 ZINC000684870353 546295560 /nfs/dbraw/zinc/29/55/60/546295560.db2.gz BYLBFKSUMOZUIX-DTWKUNHWSA-N -1 1 303.280 2.660 20 0 DFADMM O=C(c1c(F)ccc([O-])c1F)N1CCc2ccc(O)cc2CC1 ZINC000685428648 546348723 /nfs/dbraw/zinc/34/87/23/546348723.db2.gz GSKIRPAVILPCPO-UHFFFAOYSA-N -1 1 319.307 2.617 20 0 DFADMM CC(C)(C)c1ccc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735651676 598978547 /nfs/dbraw/zinc/97/85/47/598978547.db2.gz VKAMEBJBIZQALW-UHFFFAOYSA-N -1 1 323.356 2.778 20 0 DFADMM CC(C)(C)c1ccc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735651676 598978548 /nfs/dbraw/zinc/97/85/48/598978548.db2.gz VKAMEBJBIZQALW-UHFFFAOYSA-N -1 1 323.356 2.778 20 0 DFADMM C[C@@H](OC(=O)c1sccc1-c1nn[n-]n1)c1cccs1 ZINC000736166047 599026631 /nfs/dbraw/zinc/02/66/31/599026631.db2.gz XZXAMSPZCMTGRK-SSDOTTSWSA-N -1 1 306.372 2.908 20 0 DFADMM CS[C@H]1CC[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000821949164 599072721 /nfs/dbraw/zinc/07/27/21/599072721.db2.gz FRMMYPPFKXHZGL-SFYZADRCSA-N -1 1 310.814 2.611 20 0 DFADMM CS[C@H]1CC[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000821949164 599072724 /nfs/dbraw/zinc/07/27/24/599072724.db2.gz FRMMYPPFKXHZGL-SFYZADRCSA-N -1 1 310.814 2.611 20 0 DFADMM Clc1nsc(NCC(C2CC2)C2CC2)c1-c1nnn[n-]1 ZINC000822591947 599084374 /nfs/dbraw/zinc/08/43/74/599084374.db2.gz ZHSWCYAIVVLHRD-UHFFFAOYSA-N -1 1 310.814 2.825 20 0 DFADMM Clc1nsc(NCC(C2CC2)C2CC2)c1-c1nn[n-]n1 ZINC000822591947 599084376 /nfs/dbraw/zinc/08/43/76/599084376.db2.gz ZHSWCYAIVVLHRD-UHFFFAOYSA-N -1 1 310.814 2.825 20 0 DFADMM c1cnc(N2CCCC3(C2)CCCCCC3)c(-c2nnn[n-]2)n1 ZINC000823808536 599088884 /nfs/dbraw/zinc/08/88/84/599088884.db2.gz BQCNPIKFEUPWMA-UHFFFAOYSA-N -1 1 313.409 2.598 20 0 DFADMM c1cnc(N2CCCC3(C2)CCCCCC3)c(-c2nn[n-]n2)n1 ZINC000823808536 599088888 /nfs/dbraw/zinc/08/88/88/599088888.db2.gz BQCNPIKFEUPWMA-UHFFFAOYSA-N -1 1 313.409 2.598 20 0 DFADMM C[C@@H](C(=O)[O-])N(C)C(=O)c1cc(Cl)c2ccccc2c1O ZINC000817756888 596919363 /nfs/dbraw/zinc/91/93/63/596919363.db2.gz CAYYIENFSIZFIL-QMMMGPOBSA-N -1 1 307.733 2.744 20 0 DFADMM c1cc(-c2nnn[n-]2)oc1CNc1ccc(N2CCCC2)cc1 ZINC000823758003 607308618 /nfs/dbraw/zinc/30/86/18/607308618.db2.gz ZSAAGEXXHWICIO-UHFFFAOYSA-N -1 1 310.361 2.672 20 0 DFADMM c1cc(-c2nn[n-]n2)oc1CNc1ccc(N2CCCC2)cc1 ZINC000823758003 607308619 /nfs/dbraw/zinc/30/86/19/607308619.db2.gz ZSAAGEXXHWICIO-UHFFFAOYSA-N -1 1 310.361 2.672 20 0 DFADMM COc1ccc(OC)c(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000821842247 607310801 /nfs/dbraw/zinc/31/08/01/607310801.db2.gz QUUKOBXPZPVZHG-UHFFFAOYSA-N -1 1 317.374 2.558 20 0 DFADMM Cc1ccc(NCc2ccc(-c3nnn[n-]3)o2)c2cccnc12 ZINC000822255278 607311868 /nfs/dbraw/zinc/31/18/68/607311868.db2.gz YJYXGUFJTMZVDK-UHFFFAOYSA-N -1 1 306.329 2.928 20 0 DFADMM Cc1ccc(NCc2ccc(-c3nn[n-]n3)o2)c2cccnc12 ZINC000822255278 607311869 /nfs/dbraw/zinc/31/18/69/607311869.db2.gz YJYXGUFJTMZVDK-UHFFFAOYSA-N -1 1 306.329 2.928 20 0 DFADMM C[C@H](NCCCCC(=O)[O-])c1ncc(Br)s1 ZINC000820142008 598171163 /nfs/dbraw/zinc/17/11/63/598171163.db2.gz MDMGCIISXABEHV-ZETCQYMHSA-N -1 1 307.213 2.811 20 0 DFADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)c1ccc2c(c1)CCCC2 ZINC000736136805 598338735 /nfs/dbraw/zinc/33/87/35/598338735.db2.gz IPMULKLVRACOIY-LLVKDONJSA-N -1 1 321.388 2.709 20 0 DFADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)c1ccc2c(c1)CCCC2 ZINC000736136805 598338737 /nfs/dbraw/zinc/33/87/37/598338737.db2.gz IPMULKLVRACOIY-LLVKDONJSA-N -1 1 321.388 2.709 20 0 DFADMM Clc1ccc(Oc2cnc(-c3nnn[n-]3)cn2)cc1Cl ZINC000737572945 598384746 /nfs/dbraw/zinc/38/47/46/598384746.db2.gz HMDHXAIPFOAGDY-UHFFFAOYSA-N -1 1 309.116 2.756 20 0 DFADMM Clc1ccc(Oc2cnc(-c3nn[n-]n3)cn2)cc1Cl ZINC000737572945 598384748 /nfs/dbraw/zinc/38/47/48/598384748.db2.gz HMDHXAIPFOAGDY-UHFFFAOYSA-N -1 1 309.116 2.756 20 0 DFADMM C[C@H](N(C)c1snc(Cl)c1-c1nnn[n-]1)C(C)(C)C ZINC000736095244 598813868 /nfs/dbraw/zinc/81/38/68/598813868.db2.gz DCEPYVXTLDCMKA-LURJTMIESA-N -1 1 300.819 2.847 20 0 DFADMM C[C@H](N(C)c1snc(Cl)c1-c1nn[n-]n1)C(C)(C)C ZINC000736095244 598813870 /nfs/dbraw/zinc/81/38/70/598813870.db2.gz DCEPYVXTLDCMKA-LURJTMIESA-N -1 1 300.819 2.847 20 0 DFADMM CCCOc1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000736489840 599411995 /nfs/dbraw/zinc/41/19/95/599411995.db2.gz BRCIXPRLTJGWBJ-UHFFFAOYSA-N -1 1 310.361 2.663 20 0 DFADMM CCCOc1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000736489840 599411998 /nfs/dbraw/zinc/41/19/98/599411998.db2.gz BRCIXPRLTJGWBJ-UHFFFAOYSA-N -1 1 310.361 2.663 20 0 DFADMM CC(C)Oc1ccccc1CNc1cccc(-c2nnn[n-]2)n1 ZINC000735913501 599413492 /nfs/dbraw/zinc/41/34/92/599413492.db2.gz JBEZKJPXSNJXQX-UHFFFAOYSA-N -1 1 310.361 2.661 20 0 DFADMM CC(C)Oc1ccccc1CNc1cccc(-c2nn[n-]n2)n1 ZINC000735913501 599413495 /nfs/dbraw/zinc/41/34/95/599413495.db2.gz JBEZKJPXSNJXQX-UHFFFAOYSA-N -1 1 310.361 2.661 20 0 DFADMM Fc1ccc2c(CCNc3cccc(-c4nnn[n-]4)n3)c[nH]c2c1 ZINC000737664967 599422916 /nfs/dbraw/zinc/42/29/16/599422916.db2.gz GUSHMRUAYINDIT-UHFFFAOYSA-N -1 1 323.335 2.537 20 0 DFADMM Fc1ccc2c(CCNc3cccc(-c4nn[n-]n4)n3)c[nH]c2c1 ZINC000737664967 599422917 /nfs/dbraw/zinc/42/29/17/599422917.db2.gz GUSHMRUAYINDIT-UHFFFAOYSA-N -1 1 323.335 2.537 20 0 DFADMM CC(C)(C)c1csc(CNCc2ccc(-c3nnn[n-]3)o2)n1 ZINC000819965288 599430289 /nfs/dbraw/zinc/43/02/89/599430289.db2.gz ABZGFMFMICWQGV-UHFFFAOYSA-N -1 1 318.406 2.504 20 0 DFADMM CC(C)(C)c1csc(CNCc2ccc(-c3nn[n-]n3)o2)n1 ZINC000819965288 599430292 /nfs/dbraw/zinc/43/02/92/599430292.db2.gz ABZGFMFMICWQGV-UHFFFAOYSA-N -1 1 318.406 2.504 20 0 DFADMM CC(C)(C)[C@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000735596024 599438747 /nfs/dbraw/zinc/43/87/47/599438747.db2.gz IAEYLRGBCXTKFZ-LBPRGKRZSA-N -1 1 300.410 2.914 20 0 DFADMM CC(C)(C)[C@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000735596024 599438749 /nfs/dbraw/zinc/43/87/49/599438749.db2.gz IAEYLRGBCXTKFZ-LBPRGKRZSA-N -1 1 300.410 2.914 20 0 DFADMM Fc1cccc(F)c1[C@@H]1C[C@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000737661668 599439435 /nfs/dbraw/zinc/43/94/35/599439435.db2.gz OOXCFMIYSUPTLB-PRHODGIISA-N -1 1 314.299 2.508 20 0 DFADMM Fc1cccc(F)c1[C@@H]1C[C@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000737661668 599439437 /nfs/dbraw/zinc/43/94/37/599439437.db2.gz OOXCFMIYSUPTLB-PRHODGIISA-N -1 1 314.299 2.508 20 0 DFADMM Cc1noc(C)c1CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000822522026 599496306 /nfs/dbraw/zinc/49/63/06/599496306.db2.gz BIOHUOUYRJLHFX-UHFFFAOYSA-N -1 1 321.344 2.632 20 0 DFADMM Cc1noc(C)c1CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000822522026 599496308 /nfs/dbraw/zinc/49/63/08/599496308.db2.gz BIOHUOUYRJLHFX-UHFFFAOYSA-N -1 1 321.344 2.632 20 0 DFADMM CC(C)C[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000820068865 599686596 /nfs/dbraw/zinc/68/65/96/599686596.db2.gz VIGZLDJJNNYODH-MRVPVSSYSA-N -1 1 312.830 2.849 20 0 DFADMM CC(C)C[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000820068865 599686597 /nfs/dbraw/zinc/68/65/97/599686597.db2.gz VIGZLDJJNNYODH-MRVPVSSYSA-N -1 1 312.830 2.849 20 0 DFADMM O=C([O-])[C@H](c1ccc(F)cc1)N1CCOc2ccccc2C1 ZINC000739519204 599712703 /nfs/dbraw/zinc/71/27/03/599712703.db2.gz WRCFKQNHPPOAOV-INIZCTEOSA-N -1 1 301.317 2.846 20 0 DFADMM O=C([O-])c1sccc1NS(=O)(=O)c1cccc(Cl)c1 ZINC000035306487 599873179 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ZINC000736966083 600153425 /nfs/dbraw/zinc/15/34/25/600153425.db2.gz ZMRVOFDMWSNNFJ-FUHWJXTLSA-N -1 1 320.433 2.733 20 0 DFADMM CC(C)OC1CCN(Cn2ncc3cc(C(=O)[O-])ccc32)CC1 ZINC000736484514 600166477 /nfs/dbraw/zinc/16/64/77/600166477.db2.gz DOYJRISLXFQNDZ-UHFFFAOYSA-N -1 1 317.389 2.581 20 0 DFADMM CSCC[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000738188245 600218351 /nfs/dbraw/zinc/21/83/51/600218351.db2.gz ZUXLIXLDNSYPSD-GFCCVEGCSA-N -1 1 324.446 2.705 20 0 DFADMM CSCC[C@@H](C)N(C)CC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000738188245 600218353 /nfs/dbraw/zinc/21/83/53/600218353.db2.gz ZUXLIXLDNSYPSD-GFCCVEGCSA-N -1 1 324.446 2.705 20 0 DFADMM CC[C@](NC(=O)c1cccc2n[nH]cc21)(C(=O)[O-])c1ccccc1 ZINC000736918856 600258669 /nfs/dbraw/zinc/25/86/69/600258669.db2.gz AZDMSKAWVWTMHK-GOSISDBHSA-N -1 1 323.352 2.683 20 0 DFADMM CN(Cc1cc(F)ccc1Br)C(C)(C)C(=O)[O-] ZINC000061173228 600306720 /nfs/dbraw/zinc/30/67/20/600306720.db2.gz CSBMBOVJWCTTKH-UHFFFAOYSA-N -1 1 304.159 2.883 20 0 DFADMM 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/nfs/dbraw/zinc/49/43/18/606494318.db2.gz FGRXDBPIUQMQAP-UHFFFAOYSA-N -1 1 318.383 2.869 20 0 DFADMM CSc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821983251 606494320 /nfs/dbraw/zinc/49/43/20/606494320.db2.gz FGRXDBPIUQMQAP-UHFFFAOYSA-N -1 1 318.383 2.869 20 0 DFADMM O=C(NCCCC1CCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823187695 606502379 /nfs/dbraw/zinc/50/23/79/606502379.db2.gz NWDVKOZFMTZHBU-UHFFFAOYSA-N -1 1 305.407 2.628 20 0 DFADMM O=C(NCCCC1CCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823187695 606502378 /nfs/dbraw/zinc/50/23/78/606502378.db2.gz NWDVKOZFMTZHBU-UHFFFAOYSA-N -1 1 305.407 2.628 20 0 DFADMM CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820980158 606509762 /nfs/dbraw/zinc/50/97/62/606509762.db2.gz KSQSEOYKBVOAMU-ZJUUUORDSA-N -1 1 305.407 2.627 20 0 DFADMM CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820980158 606509763 /nfs/dbraw/zinc/50/97/63/606509763.db2.gz KSQSEOYKBVOAMU-ZJUUUORDSA-N -1 1 305.407 2.627 20 0 DFADMM C[C@@H]1CCCC[C@@H]1CCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820698711 606563091 /nfs/dbraw/zinc/56/30/91/606563091.db2.gz WIYFALZWEGNXQX-GHMZBOCLSA-N -1 1 319.434 2.874 20 0 DFADMM C[C@@H]1CCCC[C@@H]1CCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820698711 606563093 /nfs/dbraw/zinc/56/30/93/606563093.db2.gz WIYFALZWEGNXQX-GHMZBOCLSA-N -1 1 319.434 2.874 20 0 DFADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(F)cc1F ZINC000736137047 606593246 /nfs/dbraw/zinc/59/32/46/606593246.db2.gz JYLICWVFDOYEJD-MRVPVSSYSA-N -1 1 302.288 2.713 20 0 DFADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(F)cc1F ZINC000736137047 606593245 /nfs/dbraw/zinc/59/32/45/606593245.db2.gz JYLICWVFDOYEJD-MRVPVSSYSA-N -1 1 302.288 2.713 20 0 DFADMM CC(C)c1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000820192027 606649261 /nfs/dbraw/zinc/64/92/61/606649261.db2.gz DYLWNJZGQQVFDP-UHFFFAOYSA-N -1 1 323.356 2.742 20 0 DFADMM CC(C)c1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000820192027 606649262 /nfs/dbraw/zinc/64/92/62/606649262.db2.gz DYLWNJZGQQVFDP-UHFFFAOYSA-N -1 1 323.356 2.742 20 0 DFADMM FC1(F)CC[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000822736591 606881590 /nfs/dbraw/zinc/88/15/90/606881590.db2.gz HQJPGDAAQCOKQT-LURJTMIESA-N -1 1 300.700 2.515 20 0 DFADMM FC1(F)CC[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000822736591 606881592 /nfs/dbraw/zinc/88/15/92/606881592.db2.gz HQJPGDAAQCOKQT-LURJTMIESA-N -1 1 300.700 2.515 20 0 DFADMM Cc1cc(Cl)ncc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822201988 607101796 /nfs/dbraw/zinc/10/17/96/607101796.db2.gz FQRUJOOOOLJGDT-UHFFFAOYSA-N -1 1 320.765 2.537 20 0 DFADMM Cc1cc(Cl)ncc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822201988 607101797 /nfs/dbraw/zinc/10/17/97/607101797.db2.gz FQRUJOOOOLJGDT-UHFFFAOYSA-N -1 1 320.765 2.537 20 0 DFADMM c1cc(N[C@H]2CCOC3(CCCCC3)C2)nc(-c2nnn[n-]2)c1 ZINC000823756711 607131691 /nfs/dbraw/zinc/13/16/91/607131691.db2.gz FRPPMGJVVNUKBN-LBPRGKRZSA-N -1 1 314.393 2.556 20 0 DFADMM c1cc(N[C@H]2CCOC3(CCCCC3)C2)nc(-c2nn[n-]n2)c1 ZINC000823756711 607131693 /nfs/dbraw/zinc/13/16/93/607131693.db2.gz FRPPMGJVVNUKBN-LBPRGKRZSA-N -1 1 314.393 2.556 20 0 DFADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N[C@H]1CC2CCC1CC2 ZINC000823798178 607131998 /nfs/dbraw/zinc/13/19/98/607131998.db2.gz UXXZVCAIJRGMNG-MGULZYLOSA-N -1 1 321.388 2.801 20 0 DFADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N[C@H]1CC2CCC1CC2 ZINC000823798178 607132000 /nfs/dbraw/zinc/13/20/00/607132000.db2.gz UXXZVCAIJRGMNG-MGULZYLOSA-N -1 1 321.388 2.801 20 0 DFADMM c1cc(Nc2ccc(N3CCCC3)cc2)nc(-c2nn[n-]n2)c1 ZINC000826516824 607895046 /nfs/dbraw/zinc/89/50/46/607895046.db2.gz CXKZHEMMUIQKIS-UHFFFAOYSA-N -1 1 307.361 2.606 20 0 DFADMM Cc1nc2ccc(Nc3cccc(-c4nnn[n-]4)n3)cc2s1 ZINC000826329198 607895695 /nfs/dbraw/zinc/89/56/95/607895695.db2.gz TXQCOIJMPQXMTQ-UHFFFAOYSA-N -1 1 309.358 2.923 20 0 DFADMM Cc1nc2ccc(Nc3cccc(-c4nn[n-]n4)n3)cc2s1 ZINC000826329198 607895696 /nfs/dbraw/zinc/89/56/96/607895696.db2.gz TXQCOIJMPQXMTQ-UHFFFAOYSA-N -1 1 309.358 2.923 20 0 DFADMM FC(F)(F)c1ccc(Sc2cccc(-c3nnn[n-]3)n2)nc1 ZINC000826369260 607895731 /nfs/dbraw/zinc/89/57/31/607895731.db2.gz UQRNQKXTENXSBA-UHFFFAOYSA-N -1 1 324.291 2.827 20 0 DFADMM FC(F)(F)c1ccc(Sc2cccc(-c3nn[n-]n3)n2)nc1 ZINC000826369260 607895732 /nfs/dbraw/zinc/89/57/32/607895732.db2.gz UQRNQKXTENXSBA-UHFFFAOYSA-N -1 1 324.291 2.827 20 0 DFADMM CC1(C)CN(c2cccc(-c3nnn[n-]3)n2)[C@H]1c1ccccc1 ZINC000824813475 607897249 /nfs/dbraw/zinc/89/72/49/607897249.db2.gz ZSGGKVDHYKGJMX-HNNXBMFYSA-N -1 1 306.373 2.849 20 0 DFADMM CC1(C)CN(c2cccc(-c3nn[n-]n3)n2)[C@H]1c1ccccc1 ZINC000824813475 607897250 /nfs/dbraw/zinc/89/72/50/607897250.db2.gz ZSGGKVDHYKGJMX-HNNXBMFYSA-N -1 1 306.373 2.849 20 0 DFADMM c1c(CNc2cccc(-c3nnn[n-]3)n2)noc1-c1ccccc1 ZINC000826519241 607898541 /nfs/dbraw/zinc/89/85/41/607898541.db2.gz PVSXZEVHHGPJFY-UHFFFAOYSA-N -1 1 319.328 2.529 20 0 DFADMM c1c(CNc2cccc(-c3nn[n-]n3)n2)noc1-c1ccccc1 ZINC000826519241 607898542 /nfs/dbraw/zinc/89/85/42/607898542.db2.gz PVSXZEVHHGPJFY-UHFFFAOYSA-N -1 1 319.328 2.529 20 0 DFADMM COc1ccc(C)cc1CSc1cccc(-c2nnn[n-]2)n1 ZINC000826190124 607902318 /nfs/dbraw/zinc/90/23/18/607902318.db2.gz QBPFBXXHYKWHCH-UHFFFAOYSA-N -1 1 313.386 2.871 20 0 DFADMM COc1ccc(C)cc1CSc1cccc(-c2nn[n-]n2)n1 ZINC000826190124 607902319 /nfs/dbraw/zinc/90/23/19/607902319.db2.gz QBPFBXXHYKWHCH-UHFFFAOYSA-N -1 1 313.386 2.871 20 0 DFADMM O=C(Oc1ccc(Cl)c(F)c1)c1sccc1-c1nn[n-]n1 ZINC000826468418 608074347 /nfs/dbraw/zinc/07/43/47/608074347.db2.gz PKKOZBDMMJHWNW-UHFFFAOYSA-N -1 1 324.724 2.940 20 0 DFADMM C[C@@H]1CCC[C@@H](COC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000824927427 608170401 /nfs/dbraw/zinc/17/04/01/608170401.db2.gz OFYJIDGKUKXDBH-NXEZZACHSA-N -1 1 306.391 2.911 20 0 DFADMM CC(C)Cn1cc(Nc2snc(Cl)c2-c2nnn[n-]2)cn1 ZINC000824280644 608186852 /nfs/dbraw/zinc/18/68/52/608186852.db2.gz RYXMZTDMIWABBI-UHFFFAOYSA-N -1 1 324.801 2.573 20 0 DFADMM CC(C)Cn1cc(Nc2snc(Cl)c2-c2nn[n-]n2)cn1 ZINC000824280644 608186853 /nfs/dbraw/zinc/18/68/53/608186853.db2.gz RYXMZTDMIWABBI-UHFFFAOYSA-N -1 1 324.801 2.573 20 0 DFADMM Cc1c2ccccc2oc1[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826235908 608400185 /nfs/dbraw/zinc/40/01/85/608400185.db2.gz UJUVSPHPJOTNAM-SNVBAGLBSA-N -1 1 321.344 2.884 20 0 DFADMM Cc1c2ccccc2oc1[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826235908 608400186 /nfs/dbraw/zinc/40/01/86/608400186.db2.gz UJUVSPHPJOTNAM-SNVBAGLBSA-N -1 1 321.344 2.884 20 0 DFADMM CC(C)C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1cccs1 ZINC000824235874 608428297 /nfs/dbraw/zinc/42/82/97/608428297.db2.gz LFNOHINCWVNECI-LLVKDONJSA-N -1 1 315.406 2.918 20 0 DFADMM CC(C)C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1cccs1 ZINC000824235874 608428299 /nfs/dbraw/zinc/42/82/99/608428299.db2.gz LFNOHINCWVNECI-LLVKDONJSA-N -1 1 315.406 2.918 20 0 DFADMM CSc1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1Cl ZINC000826230737 608428380 /nfs/dbraw/zinc/42/83/80/608428380.db2.gz HZZBXLMHQVYBBA-UHFFFAOYSA-N -1 1 319.781 2.776 20 0 DFADMM CSc1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1Cl ZINC000826230737 608428382 /nfs/dbraw/zinc/42/83/82/608428382.db2.gz HZZBXLMHQVYBBA-UHFFFAOYSA-N -1 1 319.781 2.776 20 0 DFADMM C[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)c2ccccc21 ZINC000824917052 608436756 /nfs/dbraw/zinc/43/67/56/608436756.db2.gz LNQMNIYSKXXBHH-GXFFZTMASA-N -1 1 307.361 2.707 20 0 DFADMM C[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)c2ccccc21 ZINC000824917052 608436758 /nfs/dbraw/zinc/43/67/58/608436758.db2.gz LNQMNIYSKXXBHH-GXFFZTMASA-N -1 1 307.361 2.707 20 0 DFADMM CC(C)(CNc1ccc(-c2nnn[n-]2)nn1)C1CCCCC1 ZINC000824157189 608439899 /nfs/dbraw/zinc/43/98/99/608439899.db2.gz CUBPYPZPRWOXHI-UHFFFAOYSA-N -1 1 301.398 2.675 20 0 DFADMM CC(C)(CNc1ccc(-c2nn[n-]n2)nn1)C1CCCCC1 ZINC000824157189 608439901 /nfs/dbraw/zinc/43/99/01/608439901.db2.gz CUBPYPZPRWOXHI-UHFFFAOYSA-N -1 1 301.398 2.675 20 0 DFADMM CCOc1ccc(CN(C)c2nc(-c3nn[n-]n3)ccc2C)cc1 ZINC000825638275 608540389 /nfs/dbraw/zinc/54/03/89/608540389.db2.gz IPEZIQURUUGWKV-UHFFFAOYSA-N -1 1 324.388 2.605 20 0 DFADMM c1cn(CCCOc2ccc3ccccc3c2)c(-c2nnn[n-]2)n1 ZINC000826524465 608888969 /nfs/dbraw/zinc/88/89/69/608888969.db2.gz WPUJPOMWFQAKOQ-UHFFFAOYSA-N -1 1 320.356 2.686 20 0 DFADMM c1cn(CCCOc2ccc3ccccc3c2)c(-c2nn[n-]n2)n1 ZINC000826524465 608888973 /nfs/dbraw/zinc/88/89/73/608888973.db2.gz WPUJPOMWFQAKOQ-UHFFFAOYSA-N -1 1 320.356 2.686 20 0 DFADMM Fc1cccc(OCc2ccc3c(c2)COC3)c1-c1nnn[n-]1 ZINC000826377796 609313178 /nfs/dbraw/zinc/31/31/78/609313178.db2.gz GIXQJVJOSXFNIJ-UHFFFAOYSA-N -1 1 312.304 2.615 20 0 DFADMM Fc1cccc(OCc2ccc3c(c2)COC3)c1-c1nn[n-]n1 ZINC000826377796 609313179 /nfs/dbraw/zinc/31/31/79/609313179.db2.gz GIXQJVJOSXFNIJ-UHFFFAOYSA-N -1 1 312.304 2.615 20 0 DFADMM C[C@@H]1CC[C@@]2(CCN(c3snc(Cl)c3-c3nnn[n-]3)C2)C1 ZINC000824919084 609390221 /nfs/dbraw/zinc/39/02/21/609390221.db2.gz RRDNEIHCDDQSSD-AMIZOPFISA-N -1 1 324.841 2.993 20 0 DFADMM C[C@@H]1CC[C@@]2(CCN(c3snc(Cl)c3-c3nn[n-]n3)C2)C1 ZINC000824919084 609390222 /nfs/dbraw/zinc/39/02/22/609390222.db2.gz RRDNEIHCDDQSSD-AMIZOPFISA-N -1 1 324.841 2.993 20 0 DFADMM C[C@@H]1CN(c2c3ccccc3nnc2-c2nnn[n-]2)CC(C)(C)C1 ZINC000824993813 609592258 /nfs/dbraw/zinc/59/22/58/609592258.db2.gz SGLYEXLQQNEJOH-NSHDSACASA-N -1 1 323.404 2.682 20 0 DFADMM C[C@@H]1CN(c2c3ccccc3nnc2-c2nn[n-]n2)CC(C)(C)C1 ZINC000824993813 609592259 /nfs/dbraw/zinc/59/22/59/609592259.db2.gz SGLYEXLQQNEJOH-NSHDSACASA-N -1 1 323.404 2.682 20 0 DFADMM Cc1noc(CCCc2nc(-c3ccc([O-])cc3Cl)no2)n1 ZINC000278269792 214058032 /nfs/dbraw/zinc/05/80/32/214058032.db2.gz VMXBEYLDUREIOX-UHFFFAOYSA-N -1 1 320.736 2.962 20 0 DFADMM O=C([O-])CC[C@@H]1CCCCN1CC(=O)Nc1ccc(Cl)cc1 ZINC000314902571 231135144 /nfs/dbraw/zinc/13/51/44/231135144.db2.gz NFKDMUZQDOHNSQ-AWEZNQCLSA-N -1 1 324.808 2.998 20 0 DFADMM Cc1ncoc1C(=O)[N-]c1nnc(Cc2cccc(F)c2)s1 ZINC000081688301 398367380 /nfs/dbraw/zinc/36/73/80/398367380.db2.gz QTGWIAHQHSYUGA-UHFFFAOYSA-N -1 1 318.333 2.817 20 0 DFADMM C[N@@H+](Cc1cc(=O)[nH]c(C2CC2)n1)[C@@H](CCO)c1ccccc1 ZINC000459341793 299083568 /nfs/dbraw/zinc/08/35/68/299083568.db2.gz FJKCWQRZYJBUBF-INIZCTEOSA-N -1 1 313.401 2.615 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000081837162 398373969 /nfs/dbraw/zinc/37/39/69/398373969.db2.gz AMRUXULQLIDIGF-VXGBXAGGSA-N -1 1 321.446 2.911 20 0 DFADMM CSc1nc(C)c(CCC(=O)Nc2cccc(F)c2)c(=O)[n-]1 ZINC000014207744 398389681 /nfs/dbraw/zinc/38/96/81/398389681.db2.gz PRHXEUPQMMBLJS-UHFFFAOYSA-N -1 1 321.377 2.511 20 0 DFADMM Cc1n[n-]c(=S)n1CCNC(=O)Nc1cccc(C)c1C ZINC000084293387 398397010 /nfs/dbraw/zinc/39/70/10/398397010.db2.gz OBTWMBHGRPIROU-UHFFFAOYSA-N -1 1 305.407 2.688 20 0 DFADMM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1csc(Br)c1 ZINC000086257359 398419690 /nfs/dbraw/zinc/41/96/90/398419690.db2.gz JZAVFFFTBWDZGY-CBAPKCEASA-N -1 1 304.209 2.806 20 0 DFADMM CCc1nc(S(=O)(=O)[C@@H](CC)c2ccc(F)cc2F)n[n-]1 ZINC000086170476 398418671 /nfs/dbraw/zinc/41/86/71/398418671.db2.gz HFOMSHLGJJOATN-NSHDSACASA-N -1 1 315.345 2.570 20 0 DFADMM CCc1nc(S(=O)(=O)[C@H](CC)c2ccc(F)cc2F)n[n-]1 ZINC000086170477 398419095 /nfs/dbraw/zinc/41/90/95/398419095.db2.gz HFOMSHLGJJOATN-LLVKDONJSA-N -1 1 315.345 2.570 20 0 DFADMM O=C(NCCc1cn2ccccc2n1)c1cc(Cl)ccc1[O-] ZINC000023319437 398424269 /nfs/dbraw/zinc/42/42/69/398424269.db2.gz ISSGYOANZIWAOI-UHFFFAOYSA-N -1 1 315.760 2.666 20 0 DFADMM COC(=O)CCCN(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000025072355 398436865 /nfs/dbraw/zinc/43/68/65/398436865.db2.gz ZANCVRVRJRYLJH-UHFFFAOYSA-N -1 1 301.342 2.571 20 0 DFADMM COC(=O)c1sc(NC(=O)c2ccc(OC)cc2[O-])cc1C ZINC000592538383 398444459 /nfs/dbraw/zinc/44/44/59/398444459.db2.gz RMJTZJJJNYGSSR-UHFFFAOYSA-N -1 1 321.354 2.810 20 0 DFADMM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2c(F)cccc2Cl)CCO1 ZINC000330913396 232156526 /nfs/dbraw/zinc/15/65/26/232156526.db2.gz HSKVSMBJYZDLRN-VHSXEESVSA-N -1 1 321.801 2.573 20 0 DFADMM C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1cccc([O-])c1Br ZINC000459523609 299125077 /nfs/dbraw/zinc/12/50/77/299125077.db2.gz IPQFKEOVNMVVEB-WDEREUQCSA-N -1 1 313.239 2.679 20 0 DFADMM C[C@H]1CN(Cc2ccc(Br)o2)CC[C@@H]1C(=O)[O-] ZINC000304386217 398503605 /nfs/dbraw/zinc/50/36/05/398503605.db2.gz LQESOGYZCNZLNI-WPRPVWTQSA-N -1 1 302.168 2.585 20 0 DFADMM Cc1nsc([N-]C(=O)c2cnc(Oc3ccccc3)cn2)n1 ZINC000091063432 398506707 /nfs/dbraw/zinc/50/67/07/398506707.db2.gz MHQQRCFLELYERR-UHFFFAOYSA-N -1 1 313.342 2.681 20 0 DFADMM CO[C@H](C)C(=O)Nc1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000065070971 282460973 /nfs/dbraw/zinc/46/09/73/282460973.db2.gz RWAJWGPJZQQTPY-LLVKDONJSA-N -1 1 314.341 2.618 20 0 DFADMM COc1ncccc1CNC(=O)c1cc2ccccc2cc1[O-] ZINC000031319436 398514030 /nfs/dbraw/zinc/51/40/30/398514030.db2.gz HJUFHWUOZZYMRE-UHFFFAOYSA-N -1 1 308.337 2.879 20 0 DFADMM C[C@H](c1ccccn1)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000068369847 282487843 /nfs/dbraw/zinc/48/78/43/282487843.db2.gz KDDFGCMPXGFIOZ-LLVKDONJSA-N -1 1 308.341 2.564 20 0 DFADMM CCOc1ccc(C(C)=O)cc1CN1CCC[C@H]1CC(=O)[O-] ZINC000315292534 398524129 /nfs/dbraw/zinc/52/41/29/398524129.db2.gz HQQUQIFVNQIXKC-HNNXBMFYSA-N -1 1 305.374 2.727 20 0 DFADMM O=S(=O)([N-]c1cccc(O)c1)c1ccc(F)c(Cl)c1 ZINC000033914639 398547616 /nfs/dbraw/zinc/54/76/16/398547616.db2.gz IUULQJZCQSTLSK-UHFFFAOYSA-N -1 1 301.726 2.986 20 0 DFADMM CCOc1ccc(C(C)=O)cc1CN1CCC[C@@](C)(C(=O)[O-])C1 ZINC000320916502 398550881 /nfs/dbraw/zinc/55/08/81/398550881.db2.gz PTVHSMMSUPJBRW-GOSISDBHSA-N -1 1 319.401 2.975 20 0 DFADMM O=C([O-])c1cccc2c1CCN(CCOc1ccc(F)cc1)C2 ZINC000322351783 398557666 /nfs/dbraw/zinc/55/76/66/398557666.db2.gz DRNJFCVUKVTJTP-UHFFFAOYSA-N -1 1 315.344 2.961 20 0 DFADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCCC[C@@H]1CCO ZINC000182014186 199374382 /nfs/dbraw/zinc/37/43/82/199374382.db2.gz WNBFTWVMPSUUJF-LLVKDONJSA-N -1 1 317.307 2.788 20 0 DFADMM O=C(Nc1ccc2c(c1)NC(=O)CC2)c1cc(F)ccc1[O-] ZINC000080030582 282617558 /nfs/dbraw/zinc/61/75/58/282617558.db2.gz VDNWWFNFGPOGST-UHFFFAOYSA-N -1 1 300.289 2.668 20 0 DFADMM CC[C@H](NC(=O)c1cncc([O-])c1)c1ccc(OC)c(OC)c1 ZINC000287034688 219280995 /nfs/dbraw/zinc/28/09/95/219280995.db2.gz RBEWLQFTFVZFMV-AWEZNQCLSA-N -1 1 316.357 2.686 20 0 DFADMM CCc1onc(-c2ccccc2)c1C(=O)[N-]N1CCCCC1=O 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CSC[C@@H]1CCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000597402562 398636151 /nfs/dbraw/zinc/63/61/51/398636151.db2.gz DJFIVSUDBVZLDJ-LBPRGKRZSA-N -1 1 302.399 2.908 20 0 DFADMM CC[C@]1(C)Oc2ccc(NC(=O)c3cncc([O-])c3)cc2O1 ZINC000276796687 186466468 /nfs/dbraw/zinc/46/64/68/186466468.db2.gz RXDZOZHJWVYQFI-MRXNPFEDSA-N -1 1 300.314 2.937 20 0 DFADMM CC(C)(C)OC(=O)CNC(=O)c1ccc2ccccc2c1[O-] ZINC000115722294 282739520 /nfs/dbraw/zinc/73/95/20/282739520.db2.gz YOWVGRPKFSERJS-UHFFFAOYSA-N -1 1 301.342 2.617 20 0 DFADMM CS[C@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccccc1 ZINC000172522645 198109632 /nfs/dbraw/zinc/10/96/32/198109632.db2.gz VMNTZXINJWPWAR-QMMMGPOBSA-N -1 1 316.308 2.866 20 0 DFADMM Cc1n[nH]cc1CCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000121460178 282808937 /nfs/dbraw/zinc/80/89/37/282808937.db2.gz SBGCOJSRJZJPKS-UHFFFAOYSA-N -1 1 309.369 2.940 20 0 DFADMM CCc1sc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cc1C ZINC000331850389 234196936 /nfs/dbraw/zinc/19/69/36/234196936.db2.gz QPXKHXQBQOSNKU-SNVBAGLBSA-N -1 1 321.402 2.727 20 0 DFADMM COC(=O)CCCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000123568145 282850567 /nfs/dbraw/zinc/85/05/67/282850567.db2.gz ZZTXXZDUVIKZQR-UHFFFAOYSA-N -1 1 301.342 2.619 20 0 DFADMM CCC(CC)n1ccc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)n1 ZINC000405513241 398695114 /nfs/dbraw/zinc/69/51/14/398695114.db2.gz ZFJLPVBUJDGSRP-OAHLLOKOSA-N -1 1 305.422 2.931 20 0 DFADMM CC(C)([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(C)(F)F ZINC000406869718 398695157 /nfs/dbraw/zinc/69/51/57/398695157.db2.gz BOWJINQRCJHYBN-UHFFFAOYSA-N -1 1 322.764 2.924 20 0 DFADMM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000107081959 398701163 /nfs/dbraw/zinc/70/11/63/398701163.db2.gz XFGBKVVDELOUTO-UHFFFAOYSA-N -1 1 311.790 2.942 20 0 DFADMM CN(CC(=O)Nc1ccccc1)C(=O)c1cc(Cl)ccc1[O-] ZINC000046619386 398713864 /nfs/dbraw/zinc/71/38/64/398713864.db2.gz RHYIYHAQYOPPOR-UHFFFAOYSA-N -1 1 318.760 2.756 20 0 DFADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc(-n2cccn2)ccn1 ZINC000129436011 283015479 /nfs/dbraw/zinc/01/54/79/283015479.db2.gz 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/nfs/dbraw/zinc/78/84/01/398788401.db2.gz HVPBCKOVGQEZQO-UHFFFAOYSA-N -1 1 311.385 2.720 20 0 DFADMM CCOCCCCNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000134964739 283204740 /nfs/dbraw/zinc/20/47/40/283204740.db2.gz NMEMUDDQZIKSHJ-UHFFFAOYSA-N -1 1 301.770 2.601 20 0 DFADMM CC[C@H]1CN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C[C@H](C)O1 ZINC000135095413 283208884 /nfs/dbraw/zinc/20/88/84/283208884.db2.gz SNCVBIBREFFDPJ-ONGXEEELSA-N -1 1 313.781 2.694 20 0 DFADMM COc1cc(C(=O)N[C@@H](CCO)C(C)(C)C)cc(Cl)c1[O-] ZINC000135224676 283211703 /nfs/dbraw/zinc/21/17/03/283211703.db2.gz KAUMLCHRRJEEGA-LBPRGKRZSA-N -1 1 315.797 2.581 20 0 DFADMM CC(C)OC(=O)C[C@@H](NC(=O)c1c([O-])cccc1F)C(C)C ZINC000594407293 398794182 /nfs/dbraw/zinc/79/41/82/398794182.db2.gz ICYITABNZASTTA-GFCCVEGCSA-N -1 1 311.353 2.627 20 0 DFADMM Cc1n[nH]c([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1C ZINC000135401423 283218491 /nfs/dbraw/zinc/21/84/91/283218491.db2.gz JLVOBXNWWFMHMX-UHFFFAOYSA-N -1 1 319.308 2.846 20 0 DFADMM COc1ccc2cc(C(=O)Nc3ccncc3[O-])c(C)nc2c1 ZINC000135404409 283219178 /nfs/dbraw/zinc/21/91/78/283219178.db2.gz ZKQTXLPKKXYNCX-UHFFFAOYSA-N -1 1 309.325 2.905 20 0 DFADMM Cc1cccc(Nc2ccccc2C(=O)Nc2nnn[n-]2)c1C ZINC000135472873 283221893 /nfs/dbraw/zinc/22/18/93/283221893.db2.gz PTTIMQZLPYYJST-UHFFFAOYSA-N -1 1 308.345 2.812 20 0 DFADMM Cc1cccc(Nc2ccccc2C(=O)Nc2nn[n-]n2)c1C ZINC000135472873 283221896 /nfs/dbraw/zinc/22/18/96/283221896.db2.gz PTTIMQZLPYYJST-UHFFFAOYSA-N -1 1 308.345 2.812 20 0 DFADMM CCC[C@@H](NC(=O)[C@@H](C)c1cc2ccccc2o1)c1nn[n-]n1 ZINC000136648915 283242472 /nfs/dbraw/zinc/24/24/72/283242472.db2.gz NREQGSMUGCRSNQ-CMPLNLGQSA-N -1 1 313.361 2.707 20 0 DFADMM Cc1cc([N-]C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)no1 ZINC000136935958 283246159 /nfs/dbraw/zinc/24/61/59/283246159.db2.gz AYIFPAAXCAFSQI-UHFFFAOYSA-N -1 1 311.297 2.825 20 0 DFADMM Cn1[n-]cc2/c(=N\C(=O)NCCCCC(C)(C)C)ccnc1-2 ZINC000287585012 219607226 /nfs/dbraw/zinc/60/72/26/219607226.db2.gz LOMMQKTUTVAJBT-MOSHPQCFSA-N -1 1 303.410 2.680 20 0 DFADMM C[C@@]1([N-]S(=O)(=O)c2ccc(F)c(F)c2F)CC=CCC1 ZINC000416553223 295954150 /nfs/dbraw/zinc/95/41/50/295954150.db2.gz DMZJECPMASVCFN-CYBMUJFWSA-N -1 1 305.321 2.881 20 0 DFADMM C[C@]1([N-]S(=O)(=O)c2ccc(F)c(F)c2F)CC=CCC1 ZINC000416553225 295954295 /nfs/dbraw/zinc/95/42/95/295954295.db2.gz DMZJECPMASVCFN-ZDUSSCGKSA-N -1 1 305.321 2.881 20 0 DFADMM O=C(Nc1ccccc1OCC(F)F)c1ccc(O)cc1[O-] ZINC000151821456 283297455 /nfs/dbraw/zinc/29/74/55/283297455.db2.gz SYLPNWNQJJYOLY-UHFFFAOYSA-N -1 1 309.268 2.994 20 0 DFADMM O=S(=O)([N-]C[C@H]1CC12CC2)c1sccc1Br ZINC000416643883 295960286 /nfs/dbraw/zinc/96/02/86/295960286.db2.gz HTWXXSKLKIQERV-SSDOTTSWSA-N -1 1 322.249 2.589 20 0 DFADMM C[C@H]1CN(C(=O)c2ccc(Br)c([O-])c2)CCS1 ZINC000152393574 283321346 /nfs/dbraw/zinc/32/13/46/283321346.db2.gz BAAAOWHIFOTZPV-QMMMGPOBSA-N -1 1 316.220 2.732 20 0 DFADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)cc1F ZINC000134706620 398867196 /nfs/dbraw/zinc/86/71/96/398867196.db2.gz HCDRHKPFKHQUIW-UHFFFAOYSA-N -1 1 311.382 2.956 20 0 DFADMM COC(=O)CC1(CNC(=O)c2cc(F)ccc2[O-])CCCCC1 ZINC000598790577 398873470 /nfs/dbraw/zinc/87/34/70/398873470.db2.gz SBMPFGHYQBXPPY-UHFFFAOYSA-N -1 1 323.364 2.775 20 0 DFADMM CC(C)OC(=O)C[C@@H]1CCCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000185420310 199851450 /nfs/dbraw/zinc/85/14/50/199851450.db2.gz ZEFOEMOWJDLSNH-LBPRGKRZSA-N -1 1 323.364 2.725 20 0 DFADMM COC(=O)CCc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000175221157 283399474 /nfs/dbraw/zinc/39/94/74/283399474.db2.gz VWVFAYIRCRRPNI-UHFFFAOYSA-N -1 1 317.316 2.889 20 0 DFADMM CSc1nsc([N-]C(=O)c2cc(F)cc3nccnc32)n1 ZINC000175524463 283406441 /nfs/dbraw/zinc/40/64/41/283406441.db2.gz WHYLKTUHRNLDHJ-UHFFFAOYSA-N -1 1 321.362 2.595 20 0 DFADMM CC(C)(C)C[C@@H](O)C[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000185727151 199881345 /nfs/dbraw/zinc/88/13/45/199881345.db2.gz PYSFTVGBSXKSSS-SECBINFHSA-N -1 1 323.817 2.555 20 0 DFADMM O=C(N[C@H](Cc1ccccc1)C1CC1)C(=O)c1ccc([O-])cc1 ZINC000280819167 215892016 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C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000287750009 219709885 /nfs/dbraw/zinc/70/98/85/219709885.db2.gz LLSDWDGTNXFTRC-CXAGYDPISA-N -1 1 309.365 2.980 20 0 DFADMM O=C(Nc1ccccc1)c1ccc(=NO[C@H]2CCCCO2)[n-]n1 ZINC000077955868 398931380 /nfs/dbraw/zinc/93/13/80/398931380.db2.gz FZVXMCRGYGIFSQ-HNNXBMFYSA-N -1 1 314.345 2.599 20 0 DFADMM COc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1F ZINC000055619164 398937177 /nfs/dbraw/zinc/93/71/77/398937177.db2.gz YIDQTVVYJVNCCD-UHFFFAOYSA-N -1 1 317.288 2.913 20 0 DFADMM O=C(NCc1nn[n-]n1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000599334333 398955354 /nfs/dbraw/zinc/95/53/54/398955354.db2.gz LYRTYWUGSWDQNH-UHFFFAOYSA-N -1 1 319.777 2.512 20 0 DFADMM Cc1noc2ncc(NC(=O)c3cn[nH]c3-c3ccncc3)cc12 ZINC000471986528 299319251 /nfs/dbraw/zinc/31/92/51/299319251.db2.gz RMBZITAOMMHKDW-UHFFFAOYSA-N -1 1 320.312 2.569 20 0 DFADMM O=C(c1ncc2ccccc2c1[O-])N1CCC[C@@H](OC(F)F)C1 ZINC000613381291 398965831 /nfs/dbraw/zinc/96/58/31/398965831.db2.gz WWLHHZKRQKDNJI-LLVKDONJSA-N 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/nfs/dbraw/zinc/30/26/91/216302691.db2.gz RLRKHODPFPYALD-LBPRGKRZSA-N -1 1 315.369 2.959 20 0 DFADMM Cn1c(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)nc2ccccc21 ZINC000417626057 296036625 /nfs/dbraw/zinc/03/66/25/296036625.db2.gz MPCZNBFKRAHEGH-GOEBONIOSA-N -1 1 321.380 2.976 20 0 DFADMM COC[C@H](NCc1ccc(-c2ccccc2F)s1)C(=O)[O-] ZINC000417635365 296037072 /nfs/dbraw/zinc/03/70/72/296037072.db2.gz WNHVRDHJDPQZHF-ZDUSSCGKSA-N -1 1 309.362 2.743 20 0 DFADMM C[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)N(C)CC(F)(F)F ZINC000193635186 201092805 /nfs/dbraw/zinc/09/28/05/201092805.db2.gz DBZGITOJGSGVIT-SSDOTTSWSA-N -1 1 310.703 2.867 20 0 DFADMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)N2CCCC[C@H]2CC)n1 ZINC000195059185 201334299 /nfs/dbraw/zinc/33/42/99/201334299.db2.gz MOKIGLJHNYRSKW-WCQYABFASA-N -1 1 323.462 2.604 20 0 DFADMM COC(=O)CCc1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000613504154 399006076 /nfs/dbraw/zinc/00/60/76/399006076.db2.gz HBFTXEIGIBTHKJ-UHFFFAOYSA-N -1 1 317.316 2.889 20 0 DFADMM C[S@](=O)Cc1cccc(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000613510321 399007108 /nfs/dbraw/zinc/00/71/08/399007108.db2.gz WLAAKNMGCNOLEP-NRFANRHFSA-N -1 1 307.346 2.662 20 0 DFADMM O=S(=O)(C[C@H]1CCCO1)[N-]c1ccc(-c2nccs2)cc1 ZINC000605291329 399009408 /nfs/dbraw/zinc/00/94/08/399009408.db2.gz TUVUQTJUMFXWPE-CYBMUJFWSA-N -1 1 324.427 2.731 20 0 DFADMM CCCN(CC(=O)OC(C)(C)C)C(=O)c1ccc([O-])c(F)c1 ZINC000613531420 399013258 /nfs/dbraw/zinc/01/32/58/399013258.db2.gz IPBQPQDKCUXGHI-UHFFFAOYSA-N -1 1 311.353 2.725 20 0 DFADMM O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)c1ncc2ccccc2c1[O-] ZINC000613545129 399015405 /nfs/dbraw/zinc/01/54/05/399015405.db2.gz NASNVZYTJXBYNX-UKRRQHHQSA-N -1 1 312.369 2.628 20 0 DFADMM COc1ccc2c(c1)OC[C@@H](C(=O)Nc1c([O-])cccc1F)C2 ZINC000605434814 399019668 /nfs/dbraw/zinc/01/96/68/399019668.db2.gz CJBVNTDEUKIRSH-NSHDSACASA-N -1 1 317.316 2.730 20 0 DFADMM Cc1ccccc1[C@H](C)CC(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000605530942 399030229 /nfs/dbraw/zinc/03/02/29/399030229.db2.gz FARQPQBRIUSUOO-CYBMUJFWSA-N -1 1 313.405 2.587 20 0 DFADMM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000171091177 399035201 /nfs/dbraw/zinc/03/52/01/399035201.db2.gz KOXKNWLVAGFOOB-UHFFFAOYSA-N -1 1 303.746 2.620 20 0 DFADMM Cn1cnnc1[C@@H]1CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000091700463 193094247 /nfs/dbraw/zinc/09/42/47/193094247.db2.gz RCJWXFPQGFNYFF-HNNXBMFYSA-N -1 1 322.368 2.651 20 0 DFADMM CC(C)(C)/C=C\C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000255552247 283888078 /nfs/dbraw/zinc/88/80/78/283888078.db2.gz QFKIYLJYQOFCER-FPLPWBNLSA-N -1 1 314.382 2.738 20 0 DFADMM O=C(c1cncc([O-])c1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000171763329 399057606 /nfs/dbraw/zinc/05/76/06/399057606.db2.gz SGKOGRQDGSOREZ-LBPRGKRZSA-N -1 1 323.352 2.948 20 0 DFADMM Cc1nccc(-c2cccc(NC(=O)c3cncc([O-])c3)c2)n1 ZINC000171862909 399061391 /nfs/dbraw/zinc/06/13/91/399061391.db2.gz YLXGEGAGSQCYBE-UHFFFAOYSA-N -1 1 306.325 2.805 20 0 DFADMM C[C@@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])CC[S@@]1=O ZINC000277069282 283963257 /nfs/dbraw/zinc/96/32/57/283963257.db2.gz ABUVPVJIJTYRSE-IPQOISQHSA-N -1 1 317.410 2.529 20 0 DFADMM COC(=O)c1cccc2nc(NC(=O)[C@H]3CCCC34CC4)[nH]c21 ZINC000599703795 399070539 /nfs/dbraw/zinc/07/05/39/399070539.db2.gz BIQURJKKYGJSEI-LLVKDONJSA-N -1 1 313.357 2.868 20 0 DFADMM CN(C[C@@H]1OCCc2ccccc21)C(=O)c1cc(F)ccc1[O-] ZINC000080022978 399109456 /nfs/dbraw/zinc/10/94/56/399109456.db2.gz RZNHIVLEKVLDEX-KRWDZBQOSA-N -1 1 315.344 2.917 20 0 DFADMM O=C([O-])CCCN1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000262288291 203251799 /nfs/dbraw/zinc/25/17/99/203251799.db2.gz XCGRGGJXSMSFNL-ZDUSSCGKSA-N -1 1 317.307 2.944 20 0 DFADMM O=C(NCc1n[n-]c(=S)n1C1CC1)c1cccc2cc[nH]c21 ZINC000080061356 399114009 /nfs/dbraw/zinc/11/40/09/399114009.db2.gz SIMJMKQJUDJHNL-UHFFFAOYSA-N -1 1 313.386 2.687 20 0 DFADMM CSc1cccc(NC(=O)[C@@H](C)N2CCC(C(=O)[O-])CC2)c1 ZINC000262669135 203372849 /nfs/dbraw/zinc/37/28/49/203372849.db2.gz QXJICBBTMHTRRW-LLVKDONJSA-N -1 1 322.430 2.532 20 0 DFADMM Cc1ccc(-c2cnc(CN3CCC(C(=O)[O-])CC3)o2)cc1 ZINC000262665564 203373721 /nfs/dbraw/zinc/37/37/21/203373721.db2.gz PHQPFJYAVPDLIE-UHFFFAOYSA-N -1 1 300.358 2.947 20 0 DFADMM Cn1c(CN2CCC(C(=O)[O-])CC2)nc2cc(Cl)ccc21 ZINC000262669102 203374290 /nfs/dbraw/zinc/37/42/90/203374290.db2.gz QVRXGGOFRZRYLY-UHFFFAOYSA-N -1 1 307.781 2.523 20 0 DFADMM Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCC[C@@H](C(=O)[O-])C1 ZINC000262699903 203385353 /nfs/dbraw/zinc/38/53/53/203385353.db2.gz YOWWRAWPSJEAEL-NWDGAFQWSA-N -1 1 324.808 2.772 20 0 DFADMM NC(=O)c1cc(-c2csc(C(=O)c3ccccc3)n2)ccc1[O-] ZINC000060379091 399126409 /nfs/dbraw/zinc/12/64/09/399126409.db2.gz HYWWQNDVKNOYQE-UHFFFAOYSA-N -1 1 324.361 2.846 20 0 DFADMM C[C@]1(C(=O)[O-])CCN(Cc2cc(F)cc(Br)c2)C1 ZINC000093996346 193336788 /nfs/dbraw/zinc/33/67/88/193336788.db2.gz DIQPVUFHSQIRQP-ZDUSSCGKSA-N -1 1 316.170 2.885 20 0 DFADMM O=C(Cc1ccc(-n2cccn2)cc1)Nc1ccc(F)cc1[O-] ZINC000340327959 284174757 /nfs/dbraw/zinc/17/47/57/284174757.db2.gz IGNSJYNKXSJEJO-UHFFFAOYSA-N -1 1 311.316 2.898 20 0 DFADMM CCC[C@H](C)N1C[C@H](C(=O)Nc2ccc(F)cc2[O-])CC1=O ZINC000340328660 284174870 /nfs/dbraw/zinc/17/48/70/284174870.db2.gz QHYDZADTTGYTTQ-WDEREUQCSA-N -1 1 308.353 2.507 20 0 DFADMM O=C(Nc1ccc(F)cc1[O-])c1ncccc1OCC(F)F ZINC000340331917 284176984 /nfs/dbraw/zinc/17/69/84/284176984.db2.gz FDYMDBMPKGYBBS-UHFFFAOYSA-N -1 1 312.247 2.823 20 0 DFADMM CCC(=O)N[C@@H](C(=O)Nc1ccc(F)cc1[O-])c1ccccc1 ZINC000340331832 284177033 /nfs/dbraw/zinc/17/70/33/284177033.db2.gz YZSIYHSBCLMPBO-MRXNPFEDSA-N -1 1 316.332 2.737 20 0 DFADMM Cc1ccc([C@@H]2COCCN2C(=O)c2cc(F)ccc2[O-])o1 ZINC000094154495 193347189 /nfs/dbraw/zinc/34/71/89/193347189.db2.gz BQKFTGDIAKEAFA-ZDUSSCGKSA-N -1 1 305.305 2.646 20 0 DFADMM O=C(CCc1ccc2c(c1)OCCO2)Nc1ccc(F)cc1[O-] ZINC000340331166 284176403 /nfs/dbraw/zinc/17/64/03/284176403.db2.gz YPQTZNULNZYNMA-UHFFFAOYSA-N -1 1 317.316 2.874 20 0 DFADMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)[C@@H]1CCCCO1 ZINC000340948816 284223526 /nfs/dbraw/zinc/22/35/26/284223526.db2.gz FQQNWBISOZZJIG-CABZTGNLSA-N -1 1 321.801 2.715 20 0 DFADMM O=C(C[C@H]1CCc2ccccc2C1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000264956053 204300122 /nfs/dbraw/zinc/30/01/22/204300122.db2.gz WKICHKKTBRNYQC-VIFPVBQESA-N -1 1 324.306 2.957 20 0 DFADMM COc1cc(C(=O)NC[C@H]2CCC[C@H](C)O2)cc(Cl)c1[O-] ZINC000618570094 399162911 /nfs/dbraw/zinc/16/29/11/399162911.db2.gz UCSWJTDKWNNGPR-GXSJLCMTSA-N -1 1 313.781 2.742 20 0 DFADMM CN(C[C@@H]1CCOC1)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000282494491 217038301 /nfs/dbraw/zinc/03/83/01/217038301.db2.gz NPSMKPLKVVUKRV-JTQLQIEISA-N -1 1 320.776 2.702 20 0 DFADMM C[C@H](O)C[C@@H]1CCCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000614214815 399177478 /nfs/dbraw/zinc/17/74/78/399177478.db2.gz QBXYAZCKNSCQLF-JSGCOSHPSA-N -1 1 314.385 2.706 20 0 DFADMM COC(=O)c1ccc([O-])c(NC(=O)C(C)(C)C2CCOCC2)c1 ZINC000282711971 217194810 /nfs/dbraw/zinc/19/48/10/217194810.db2.gz GOJUSVZAHOXGHQ-UHFFFAOYSA-N -1 1 321.373 2.570 20 0 DFADMM Cc1n[nH]c(C)c1[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000194622513 399180416 /nfs/dbraw/zinc/18/04/16/399180416.db2.gz FMXFCVPARXVLRM-UHFFFAOYSA-N -1 1 317.773 2.761 20 0 DFADMM CO[C@@]1(C)CCCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000614237532 399185333 /nfs/dbraw/zinc/18/53/33/399185333.db2.gz GWSIMOPHUMKSBR-KRWDZBQOSA-N -1 1 300.358 2.582 20 0 DFADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccccc2F)c1 ZINC000063452469 399189277 /nfs/dbraw/zinc/18/92/77/399189277.db2.gz JWFCGURBEIPRTF-UHFFFAOYSA-N -1 1 322.361 2.758 20 0 DFADMM C[C@@H](O)c1ncc(C(=O)[N-]c2nnc(C(C)(C)C)s2)s1 ZINC000282885164 217301538 /nfs/dbraw/zinc/30/15/38/217301538.db2.gz BOUYRJBNXSJPEY-ZCFIWIBFSA-N -1 1 312.420 2.598 20 0 DFADMM CC[C@@H](C)N(CC)C(=O)c1c[n-]c2cc(OC)ccc2c1=O ZINC000622133882 399206053 /nfs/dbraw/zinc/20/60/53/399206053.db2.gz NSRFPNLWZIQFMB-LLVKDONJSA-N -1 1 302.374 2.797 20 0 DFADMM O=S(=O)([N-]C[C@H]1CC12CCSCC2)c1sccc1F ZINC000420710503 296198304 /nfs/dbraw/zinc/19/83/04/296198304.db2.gz VUADQFZCPHDYIV-SECBINFHSA-N -1 1 321.464 2.699 20 0 DFADMM C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2C(=O)c2cncc([O-])c2)C1 ZINC000614335496 399211759 /nfs/dbraw/zinc/21/17/59/399211759.db2.gz SKQZOKGUCLIPQG-ZCPGHIKRSA-N -1 1 318.417 2.579 20 0 DFADMM CCCc1cc(=O)[n-]c(SCC2(C(=O)OC)CCCC2)n1 ZINC000487133969 299445153 /nfs/dbraw/zinc/44/51/53/299445153.db2.gz YYCUSDXDGSQTAN-UHFFFAOYSA-N -1 1 310.419 2.960 20 0 DFADMM CCc1nc(S[C@@H](C)c2nc(C(=O)OC)co2)[n-]c(=O)c1C ZINC000601083614 399221210 /nfs/dbraw/zinc/22/12/10/399221210.db2.gz IQCLDUOEXXXORZ-QMMMGPOBSA-N -1 1 323.374 2.681 20 0 DFADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC2(CCO2)CC1 ZINC000374429436 296206144 /nfs/dbraw/zinc/20/61/44/296206144.db2.gz NRNYWTAHVGVWQM-UHFFFAOYSA-N -1 1 315.291 2.806 20 0 DFADMM O=C(NCC[C@@H]1CC1(F)F)c1ccc(Br)cc1[O-] ZINC000622201140 399223452 /nfs/dbraw/zinc/22/34/52/399223452.db2.gz DLGOMIICKPNCAL-SSDOTTSWSA-N -1 1 320.133 2.930 20 0 DFADMM CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(O)cccc1F ZINC000622339653 399248107 /nfs/dbraw/zinc/24/81/07/399248107.db2.gz AWVGGWKPHHYCRD-CYBMUJFWSA-N -1 1 308.397 2.916 20 0 DFADMM CSc1ccc([O-])c(C(=O)Nc2nnc(C)n2C2CC2)c1 ZINC000614606161 399252503 /nfs/dbraw/zinc/25/25/03/399252503.db2.gz AKKBXPUTTYBIEA-UHFFFAOYSA-N -1 1 304.375 2.601 20 0 DFADMM O=c1[n-]n(Cc2cccc(F)c2)c(=O)c2cc(F)c(F)cc12 ZINC000608347718 399254566 /nfs/dbraw/zinc/25/45/66/399254566.db2.gz KYKWWCPUYNYRIW-UHFFFAOYSA-N -1 1 306.243 2.568 20 0 DFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H]1CCC[C@H]1C ZINC000343846702 284523998 /nfs/dbraw/zinc/52/39/98/284523998.db2.gz BNWGANLXKMEOAS-PWSUYJOCSA-N -1 1 305.422 2.954 20 0 DFADMM COc1cccc(COCC(=O)Nc2c([O-])cccc2F)c1 ZINC000608365958 399257085 /nfs/dbraw/zinc/25/70/85/399257085.db2.gz DLEXSBZDMRMSFV-UHFFFAOYSA-N -1 1 305.305 2.695 20 0 DFADMM O=C(CCC1CCCC1)NCC(=O)Nc1c([O-])cccc1F ZINC000608367092 399257165 /nfs/dbraw/zinc/25/71/65/399257165.db2.gz HZJAEKITUDVHRE-UHFFFAOYSA-N -1 1 308.353 2.556 20 0 DFADMM O=C(NCc1ccnc(C(F)(F)F)c1)c1c([O-])cccc1F ZINC000622638973 399264125 /nfs/dbraw/zinc/26/41/25/399264125.db2.gz VKVMQGZYFIVISH-UHFFFAOYSA-N -1 1 314.238 2.875 20 0 DFADMM COc1ccc(F)c([N-]S(=O)(=O)C[C@H](CC(C)C)OC)c1 ZINC000421153838 296238419 /nfs/dbraw/zinc/23/84/19/296238419.db2.gz MJPBDGPRQIHJBH-LBPRGKRZSA-N -1 1 319.398 2.637 20 0 DFADMM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1nc2ccccc2c(=O)[n-]1 ZINC000608489432 399269934 /nfs/dbraw/zinc/26/99/34/399269934.db2.gz WGJHHNIVVDVXGF-JHJVBQTASA-N -1 1 311.385 2.622 20 0 DFADMM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1nc2ccccc2c(=O)[n-]1 ZINC000608489433 399269975 /nfs/dbraw/zinc/26/99/75/399269975.db2.gz WGJHHNIVVDVXGF-RWMBFGLXSA-N -1 1 311.385 2.622 20 0 DFADMM CC(C)[C@H](NC(=O)c1cc(F)ccc1[O-])C1(CO)CCCC1 ZINC000622742481 399270359 /nfs/dbraw/zinc/27/03/59/399270359.db2.gz LNAVWROEAQCBTL-HNNXBMFYSA-N -1 1 309.381 2.838 20 0 DFADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CC[C@H]1c1cccc(F)c1 ZINC000608489926 399270217 /nfs/dbraw/zinc/27/02/17/399270217.db2.gz CFYMBBSROFDXDR-HNNXBMFYSA-N -1 1 323.327 2.649 20 0 DFADMM 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/nfs/dbraw/zinc/36/04/09/426360409.db2.gz RMQKEIPBLQFPBX-UHFFFAOYSA-N -1 1 318.304 2.751 20 0 DFADMM Cc1nc(-c2cccc(NC(=O)c3cc(F)ccc3[O-])c2)n[nH]1 ZINC000094031858 426360485 /nfs/dbraw/zinc/36/04/85/426360485.db2.gz VUHWIPSRSZEMOY-UHFFFAOYSA-N -1 1 312.304 2.877 20 0 DFADMM CCO[C@H]1C[C@H](N(C)C(=O)c2cncc([O-])c2)C1(CC)CC ZINC000176325091 426370688 /nfs/dbraw/zinc/37/06/88/426370688.db2.gz CRRCWEFMWAMUDJ-GJZGRUSLSA-N -1 1 306.406 2.843 20 0 DFADMM COc1cc(C(=O)N(C)Cc2ccncc2)cc(Cl)c1[O-] ZINC000153524627 426389287 /nfs/dbraw/zinc/38/92/87/426389287.db2.gz UWPLVTRBMFXOHV-UHFFFAOYSA-N -1 1 306.749 2.721 20 0 DFADMM C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000340223199 268953047 /nfs/dbraw/zinc/95/30/47/268953047.db2.gz TZYQRXGKAXQFPV-SCZZXKLOSA-N -1 1 307.337 2.961 20 0 DFADMM CCC[C@H](NC(=O)c1cccc(Cl)c1Cl)c1nn[n-]n1 ZINC000176769250 426413247 /nfs/dbraw/zinc/41/32/47/426413247.db2.gz NNZBMURECUPWPS-VIFPVBQESA-N -1 1 314.176 2.778 20 0 DFADMM CCC[C@H](NC(=O)CCCCc1ccc(C)cc1)c1nn[n-]n1 ZINC000176774980 426414167 /nfs/dbraw/zinc/41/41/67/426414167.db2.gz ABCLEKVWVHLQCS-HNNXBMFYSA-N -1 1 315.421 2.879 20 0 DFADMM CCC[C@@H](NC(=O)C[C@H](CC)c1ccccc1)c1nn[n-]n1 ZINC000176792709 426414667 /nfs/dbraw/zinc/41/46/67/426414667.db2.gz GBUDYCNDTKNWSP-GXTWGEPZSA-N -1 1 301.394 2.741 20 0 DFADMM COc1cc(C(=O)N(C)Cc2cccn2C)cc(Cl)c1[O-] ZINC000153991871 426417650 /nfs/dbraw/zinc/41/76/50/426417650.db2.gz RWRLMYYBBUAKLO-UHFFFAOYSA-N -1 1 308.765 2.665 20 0 DFADMM O=c1nc(CN2CC[C@@H](c3ccccc3)C2)[n-]c2ccsc21 ZINC000123355228 426428352 /nfs/dbraw/zinc/42/83/52/426428352.db2.gz AHGQTJXQEPJYJO-CYBMUJFWSA-N -1 1 311.410 2.974 20 0 DFADMM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000177027055 426436663 /nfs/dbraw/zinc/43/66/63/426436663.db2.gz FXYVDMNXXSASKW-STQMWFEESA-N -1 1 321.380 2.845 20 0 DFADMM O=C([O-])CNCc1ccc(-c2cccc(Br)c2)o1 ZINC000340698441 269001330 /nfs/dbraw/zinc/00/13/30/269001330.db2.gz OXZJVQOPFFEJBF-UHFFFAOYSA-N -1 1 310.147 2.883 20 0 DFADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2)cc1 ZINC000340790150 269014193 /nfs/dbraw/zinc/01/41/93/269014193.db2.gz OKVUAZAMCLUXBO-UHFFFAOYSA-N -1 1 307.371 2.648 20 0 DFADMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000340801893 269015754 /nfs/dbraw/zinc/01/57/54/269015754.db2.gz UJTRARLQWBRHEF-UHFFFAOYSA-N -1 1 318.398 2.579 20 0 DFADMM O=S(=O)([N-]CCC1CCOCC1)c1cc(Cl)ccc1F ZINC000340847359 269021685 /nfs/dbraw/zinc/02/16/85/269021685.db2.gz PQPRBBYTUSYEGF-UHFFFAOYSA-N -1 1 321.801 2.574 20 0 DFADMM C/C=C/c1ccc([N-]S(=O)(=O)c2ccc(OC)nc2)cc1 ZINC000341066568 269037449 /nfs/dbraw/zinc/03/74/49/269037449.db2.gz PZMHEKSHZDBEEV-ONEGZZNKSA-N -1 1 304.371 2.924 20 0 DFADMM O=C(NCC1(Cc2ccccc2)CC1)c1ccc2[nH]nnc2c1 ZINC000124095895 426469745 /nfs/dbraw/zinc/46/97/45/426469745.db2.gz JUPVSMJLDCWZRQ-UHFFFAOYSA-N -1 1 306.369 2.711 20 0 DFADMM COC(=O)[C@@]1(C)CCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000177393582 426475043 /nfs/dbraw/zinc/47/50/43/426475043.db2.gz 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/nfs/dbraw/zinc/48/96/03/426489603.db2.gz PMMDBPBEJAGTKL-GFCCVEGCSA-N -1 1 323.352 2.948 20 0 DFADMM O=C1CCCC[C@H](c2nc(-c3ccc([O-])cc3Cl)no2)N1 ZINC000289102743 426584281 /nfs/dbraw/zinc/58/42/81/426584281.db2.gz OTPNTPHXGCAVKO-LLVKDONJSA-N -1 1 307.737 2.827 20 0 DFADMM CCOc1cc(C(=O)NCCCCCOC)cc(Cl)c1[O-] ZINC000186717777 426584715 /nfs/dbraw/zinc/58/47/15/426584715.db2.gz QJZOMTFYRFOTGK-UHFFFAOYSA-N -1 1 315.797 2.991 20 0 DFADMM O=C(c1ccc(O)cc1[O-])N1CCN(C2CC2)c2ccccc21 ZINC000186778544 426594385 /nfs/dbraw/zinc/59/43/85/426594385.db2.gz RHANCADLGRWHKC-UHFFFAOYSA-N -1 1 310.353 2.727 20 0 DFADMM CCOc1cc(C(=O)NCC(C)(C)OC)cc(Cl)c1[O-] ZINC000186837362 426598753 /nfs/dbraw/zinc/59/87/53/426598753.db2.gz SCCSPELBKGCONS-UHFFFAOYSA-N -1 1 301.770 2.599 20 0 DFADMM CCO[C@@H](CCNC(=O)c1c(F)ccc([O-])c1F)C(C)C ZINC000289184049 426600456 /nfs/dbraw/zinc/60/04/56/426600456.db2.gz ALWBGVFZLOLZEF-LBPRGKRZSA-N -1 1 301.333 2.851 20 0 DFADMM CCOc1cc(C(=O)N[C@H](COC)C2CC2)cc(Cl)c1[O-] 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C[C@@H](CO[N-]C(=O)[C@@H](C)c1ccccc1)NC(=O)OC(C)(C)C ZINC000273555270 426684517 /nfs/dbraw/zinc/68/45/17/426684517.db2.gz VMZOHODWTNPHEO-STQMWFEESA-N -1 1 322.405 2.751 20 0 DFADMM CC[C@H](C)NC(=O)[C@H](C)Sc1nc(C(F)F)cc(=O)[n-]1 ZINC000289310700 426626126 /nfs/dbraw/zinc/62/61/26/426626126.db2.gz CRAWOJGHDCDPBQ-BQBZGAKWSA-N -1 1 305.350 2.515 20 0 DFADMM CCCCc1nc(CN2CCCC[C@H]2c2nc(=O)[n-][nH]2)cs1 ZINC000289330812 426630134 /nfs/dbraw/zinc/63/01/34/426630134.db2.gz KVOIZIMUNBVZJW-LBPRGKRZSA-N -1 1 321.450 2.624 20 0 DFADMM C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CC[C@H](C(=O)[O-])C1 ZINC000178898927 426716097 /nfs/dbraw/zinc/71/60/97/426716097.db2.gz ZOFXWSCOVUPOBH-KOLCDFICSA-N -1 1 321.764 2.858 20 0 DFADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(OC)nc1C ZINC000188082537 426722501 /nfs/dbraw/zinc/72/25/01/426722501.db2.gz KSGPLYGMFBRLCA-UHFFFAOYSA-N -1 1 306.387 2.762 20 0 DFADMM CC1(C)CN(C(=O)c2ncccc2[O-])C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000281838908 426777078 /nfs/dbraw/zinc/77/70/78/426777078.db2.gz 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CC(C)n1c(SCC(=O)c2ccc([O-])cc2)nnc1N(C)C ZINC000521218396 429542952 /nfs/dbraw/zinc/54/29/52/429542952.db2.gz LFASHDFNPJLABE-UHFFFAOYSA-N -1 1 320.418 2.606 20 0 DFADMM COCCOc1ccc(CC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000430268508 429669080 /nfs/dbraw/zinc/66/90/80/429669080.db2.gz JZECTYPTHQFGAH-UHFFFAOYSA-N -1 1 319.332 2.738 20 0 DFADMM CCC[C@@H](CC1CCCCC1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000430311633 429676659 /nfs/dbraw/zinc/67/66/59/429676659.db2.gz JWHPKTXKHIOQOO-ZDUSSCGKSA-N -1 1 305.426 2.692 20 0 DFADMM CC(C)[C@@H](CO)[C@H](N=c1nc(C(F)(F)F)[n-]s1)C(C)C ZINC000450771986 429696597 /nfs/dbraw/zinc/69/65/97/429696597.db2.gz OWCLTCHACKJQEL-RKDXNWHRSA-N -1 1 311.373 2.680 20 0 DFADMM C[C@@H](C(=O)Nc1cc(Cl)ccc1F)N(C)CCCC(=O)[O-] ZINC000430659718 429706683 /nfs/dbraw/zinc/70/66/83/429706683.db2.gz BGUACYACBMYOHU-VIFPVBQESA-N -1 1 316.760 2.603 20 0 DFADMM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@H]1C[C@H]1c1nc[nH]n1 ZINC000368147464 429799270 /nfs/dbraw/zinc/79/92/70/429799270.db2.gz 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CC[C@@H](C)[C@@H](C[N-]S(=O)(=O)c1sccc1Cl)OC ZINC000451680707 429870565 /nfs/dbraw/zinc/87/05/65/429870565.db2.gz MOITVUFVSMDONG-PSASIEDQSA-N -1 1 311.856 2.741 20 0 DFADMM C[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)C(C)(F)F ZINC000451688015 429871519 /nfs/dbraw/zinc/87/15/19/429871519.db2.gz JCEDQEIFWWROHP-BDAKNGLRSA-N -1 1 305.337 2.775 20 0 DFADMM Cc1conc1C(=O)[N-]c1nnc(CC2CCCCC2)s1 ZINC000630927843 429968906 /nfs/dbraw/zinc/96/89/06/429968906.db2.gz RLFQUUGHEWSVPQ-UHFFFAOYSA-N -1 1 306.391 3.210 20 0 DFADMM COCCCN(CCOC)Cc1cc(C(=O)[O-])ccc1Cl ZINC000573809035 429984866 /nfs/dbraw/zinc/98/48/66/429984866.db2.gz STSWEHBRPFIMRR-UHFFFAOYSA-N -1 1 315.797 2.523 20 0 DFADMM O=C(c1c(F)ccc([O-])c1F)N1CCC=C(c2cccnc2)C1 ZINC000573883645 429991620 /nfs/dbraw/zinc/99/16/20/429991620.db2.gz CXIGYAOQMTWFMM-UHFFFAOYSA-N -1 1 316.307 2.995 20 0 DFADMM CC(C)c1c(Cc2ccccc2)[n-]n(C2CCOCC2)c1=O ZINC000634602200 430048263 /nfs/dbraw/zinc/04/82/63/430048263.db2.gz JMHPHVXXJGDVSK-QGZVFWFLSA-N -1 1 300.402 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ZINC000634656969 430067522 /nfs/dbraw/zinc/06/75/22/430067522.db2.gz OTWGFRLWJIXFOB-UHFFFAOYSA-N -1 1 323.393 2.547 20 0 DFADMM O=C(c1cncc([O-])c1)N1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000529905664 430083846 /nfs/dbraw/zinc/08/38/46/430083846.db2.gz ILKRPXOFLRMCMH-IBGZPJMESA-N -1 1 324.380 2.787 20 0 DFADMM O=C([O-])[C@@H]1CCCN(Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000580838522 430156858 /nfs/dbraw/zinc/15/68/58/430156858.db2.gz LRKHECJYFLTDLQ-CYBMUJFWSA-N -1 1 313.357 2.566 20 0 DFADMM CCc1nc(SCC(=O)c2ccccc2O)[n-]c(=O)c1C ZINC000580963455 430165681 /nfs/dbraw/zinc/16/56/81/430165681.db2.gz OJFAQUAWLKKPQN-UHFFFAOYSA-N -1 1 304.371 2.734 20 0 DFADMM Cc1nc(-c2ccc(N[C@H]3CCOC3(C)C)nc2)[n-]c(=O)c1C ZINC000562703396 430169358 /nfs/dbraw/zinc/16/93/58/430169358.db2.gz NQBKWUQBFUOIOA-ZDUSSCGKSA-N -1 1 314.389 2.840 20 0 DFADMM CO[C@H]1C[C@H](N(C)Cc2nc(=O)c3sccc3[n-]2)C12CCC2 ZINC000562735279 430174473 /nfs/dbraw/zinc/17/44/73/430174473.db2.gz LSMXIAZQTXQPLR-RYUDHWBXSA-N -1 1 319.430 2.786 20 0 DFADMM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2ncccc2C(F)(F)F)C1 ZINC000635017066 430197895 /nfs/dbraw/zinc/19/78/95/430197895.db2.gz DGELCEUZZNELLF-UWVGGRQHSA-N -1 1 302.296 2.643 20 0 DFADMM COC(=O)c1ccc([O-])c(NC(=O)CO[C@@H]2CCC[C@@H](C)C2)c1 ZINC000581381813 430203436 /nfs/dbraw/zinc/20/34/36/430203436.db2.gz LTMGLOBHAONIEP-DGCLKSJQSA-N -1 1 321.373 2.713 20 0 DFADMM C[C@@]1([N-]S(=O)(=O)c2cc3ccccc3o2)CCO[C@H]1C1CC1 ZINC000542320575 430208543 /nfs/dbraw/zinc/20/85/43/430208543.db2.gz QOOPOGAZSINUTR-JKSUJKDBSA-N -1 1 321.398 2.669 20 0 DFADMM Cc1cnc(SCC(=O)N(C)[C@H](C)c2ccccc2)[n-]c1=O ZINC000581559643 430221318 /nfs/dbraw/zinc/22/13/18/430221318.db2.gz HJRXIZQCEOGPMV-GFCCVEGCSA-N -1 1 317.414 2.802 20 0 DFADMM CCN1[C@H](C)CN(C(=O)c2cc(F)cc(Cl)c2[O-])C[C@@H]1C ZINC000640617508 430216009 /nfs/dbraw/zinc/21/60/09/430216009.db2.gz MEIOTYZPVBLLHU-AOOOYVTPSA-N -1 1 314.788 2.739 20 0 DFADMM CCCCO[C@H]1C[C@H](N(C)Cc2cc(C(=O)[O-])nn2C)C1(C)C ZINC000635303211 430248779 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Cc1cc(C)c(CN(C)CC(=O)[O-])c(OCc2ccccc2)n1 ZINC000566362759 430255394 /nfs/dbraw/zinc/25/53/94/430255394.db2.gz VCQLWXKOZYXTSD-UHFFFAOYSA-N -1 1 314.385 2.794 20 0 DFADMM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2cc3ccccc3o2)CCO1 ZINC000544102911 430272070 /nfs/dbraw/zinc/27/20/70/430272070.db2.gz FBKZHLMGBVOZOX-CHWSQXEVSA-N -1 1 323.414 2.916 20 0 DFADMM CSc1nc(CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)cc(=O)[n-]1 ZINC000640656807 430226807 /nfs/dbraw/zinc/22/68/07/430226807.db2.gz TZUGMUFNKCJBDB-HAQNSBGRSA-N -1 1 323.462 2.983 20 0 DFADMM CSc1nc(CNC(=O)C2(C)CCCCCC2)cc(=O)[n-]1 ZINC000640655562 430227177 /nfs/dbraw/zinc/22/71/77/430227177.db2.gz HFCLMKFROMXCRT-UHFFFAOYSA-N -1 1 309.435 2.881 20 0 DFADMM CCCc1ccc(C(=O)NCc2cc(=O)[n-]c(SC)n2)s1 ZINC000640653801 430227447 /nfs/dbraw/zinc/22/74/47/430227447.db2.gz HFOYQOSYJZSHER-UHFFFAOYSA-N -1 1 323.443 2.848 20 0 DFADMM CSc1nc(CNC(=O)CCCC2CCCC2)cc(=O)[n-]1 ZINC000640658329 430228504 /nfs/dbraw/zinc/22/85/04/430228504.db2.gz NOCAPDMUIGXKIP-UHFFFAOYSA-N -1 1 309.435 2.881 20 0 DFADMM CSc1nc(CNC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)cc(=O)[n-]1 ZINC000640657349 430228781 /nfs/dbraw/zinc/22/87/81/430228781.db2.gz GRABZKWUPYTTGH-YPMHNXCESA-N -1 1 321.446 2.759 20 0 DFADMM C[C@@H]1C[N@@H+](Cc2csc(-c3ccoc3)n2)C[C@]1(C)C(=O)[O-] ZINC000566073953 430239871 /nfs/dbraw/zinc/23/98/71/430239871.db2.gz KNSJEDKYXOKQOW-BMIGLBTASA-N -1 1 306.387 2.946 20 0 DFADMM CO[C@H]1C[C@H](CC(=O)[O-])N(Cc2ccc(Cl)cc2F)C1 ZINC000568072594 430313836 /nfs/dbraw/zinc/31/38/36/430313836.db2.gz HTEQOYUFSKCSGW-NEPJUHHUSA-N -1 1 301.745 2.543 20 0 DFADMM CC(=O)N1CCc2c1cccc2NC(=O)c1ccc([O-])cc1F ZINC000546013052 430342145 /nfs/dbraw/zinc/34/21/45/430342145.db2.gz AYMPUPZMPYKKEL-UHFFFAOYSA-N -1 1 314.316 2.693 20 0 DFADMM CC(C)(C)c1cccc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c1 ZINC000583639481 430414754 /nfs/dbraw/zinc/41/47/54/430414754.db2.gz IPSCOHWKSFRGHL-ZDUSSCGKSA-N -1 1 313.405 2.517 20 0 DFADMM CCC(C)(C)c1ccc(CNC(=O)CCCc2nn[n-]n2)cc1 ZINC000635722915 430358627 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IIDCYVCJMKXLNC-VIFPVBQESA-N -1 1 320.208 2.677 20 0 DFADMM Cn1cc(NC(=O)c2cc(F)ccc2[O-])c(-c2ccccn2)n1 ZINC000367449608 527271753 /nfs/dbraw/zinc/27/17/53/527271753.db2.gz VMQYUEIVAWPODT-UHFFFAOYSA-N -1 1 312.304 2.579 20 0 DFADMM CCOc1cc(C(=O)N2CCCn3nccc32)cc(Cl)c1[O-] ZINC000331846367 528214648 /nfs/dbraw/zinc/21/46/48/528214648.db2.gz VCHLREYCMWBVOE-UHFFFAOYSA-N -1 1 321.764 2.691 20 0 DFADMM CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)c1ncccc1[O-] ZINC000361598488 534966101 /nfs/dbraw/zinc/96/61/01/534966101.db2.gz FDBJDSQXKPOVRD-LBPRGKRZSA-N -1 1 314.389 2.546 20 0 DFADMM COc1ccc(-c2nc(Cc3ccc4c(c3)CCO4)no2)c([O-])c1 ZINC000680724015 545535030 /nfs/dbraw/zinc/53/50/30/545535030.db2.gz OTLYFYPYWLHRHJ-UHFFFAOYSA-N -1 1 324.336 2.977 20 0 DFADMM Cc1cnc([C@@H](NC(=O)c2ncc(C)cc2[O-])C2CC2)s1 ZINC000680845864 545551169 /nfs/dbraw/zinc/55/11/69/545551169.db2.gz GZUXMLWYLJVBCN-LBPRGKRZSA-N -1 1 303.387 2.742 20 0 DFADMM C[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000680977110 545573835 /nfs/dbraw/zinc/57/38/35/545573835.db2.gz VFMCUAACCRBPBR-ZJUUUORDSA-N -1 1 321.801 2.573 20 0 DFADMM Cc1ccc(OCCNC(=O)c2ccc([O-])c(F)c2)c(C)c1 ZINC000681015894 545581994 /nfs/dbraw/zinc/58/19/94/545581994.db2.gz JDGMORKKJSRGJR-UHFFFAOYSA-N -1 1 303.333 2.957 20 0 DFADMM CN(C(=O)c1ccc([O-])c(F)c1)[C@@H](CCO)c1ccccc1 ZINC000681058251 545590490 /nfs/dbraw/zinc/59/04/90/545590490.db2.gz LQAQTWUNLQPTNF-HNNXBMFYSA-N -1 1 303.333 2.727 20 0 DFADMM O=C(Nc1ccccc1O[C@H]1CCOC1)c1ccc([O-])c(F)c1 ZINC000681056219 545590630 /nfs/dbraw/zinc/59/06/30/545590630.db2.gz WVPKZDHONCGMEZ-LBPRGKRZSA-N -1 1 317.316 2.951 20 0 DFADMM CC(=O)N(C)c1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000681032920 545585553 /nfs/dbraw/zinc/58/55/53/545585553.db2.gz YNPMWSPHICEOQM-UHFFFAOYSA-N -1 1 302.305 2.766 20 0 DFADMM COc1c(C)cnc(CN(C)C(=O)c2ccc([O-])c(F)c2)c1C ZINC000681036793 545586528 /nfs/dbraw/zinc/58/65/28/545586528.db2.gz AMEZDSJBZVLOJD-UHFFFAOYSA-N -1 1 318.348 2.824 20 0 DFADMM CCOc1ccccc1CCNC(=O)c1ccc([O-])c(F)c1 ZINC000681040002 545587301 /nfs/dbraw/zinc/58/73/01/545587301.db2.gz XCUPIEFWSKKGHJ-UHFFFAOYSA-N -1 1 303.333 2.903 20 0 DFADMM COc1cccc(C[C@@H](C)NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000681046223 545587893 /nfs/dbraw/zinc/58/78/93/545587893.db2.gz HSIXYHRGYADVAK-LLVKDONJSA-N -1 1 303.333 2.901 20 0 DFADMM CC(C)n1ncc2c1C[C@@H](NC(=O)c1ccc([O-])c(F)c1)CC2 ZINC000681048839 545588687 /nfs/dbraw/zinc/58/86/87/545588687.db2.gz PUOUJRHGCWXBGO-ZDUSSCGKSA-N -1 1 317.364 2.596 20 0 DFADMM COc1cc(CCNC(=O)c2ccc([O-])c(F)c2)ccc1C ZINC000681048891 545588875 /nfs/dbraw/zinc/58/88/75/545588875.db2.gz JBSQEDLVABQJRW-UHFFFAOYSA-N -1 1 303.333 2.821 20 0 DFADMM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc([O-])c(F)c2)C12CCC2 ZINC000681055742 545589654 /nfs/dbraw/zinc/58/96/54/545589654.db2.gz AQONATGWEYNJJI-LSDHHAIUSA-N -1 1 307.365 2.951 20 0 DFADMM O=C(c1ccc([O-])c(F)c1)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000681054525 545589894 /nfs/dbraw/zinc/58/98/94/545589894.db2.gz RSRMMDPSUJEHMR-UHFFFAOYSA-N -1 1 311.316 2.647 20 0 DFADMM COc1ccc2c(c1)CC[C@H](NC(=O)c1c([O-])cccc1F)C2 ZINC000681350871 545630931 /nfs/dbraw/zinc/63/09/31/545630931.db2.gz LRXNCOSUMAVEPD-ZDUSSCGKSA-N -1 1 315.344 2.827 20 0 DFADMM Cc1cnc(C(=O)N[C@@H]2COc3c2cccc3Cl)c([O-])c1 ZINC000681737129 545710174 /nfs/dbraw/zinc/71/01/74/545710174.db2.gz ZGISIKKUCDVDIS-LLVKDONJSA-N -1 1 304.733 2.613 20 0 DFADMM O=C(Nc1c([O-])cccc1F)c1cccc(C(=O)NC2CC2)c1 ZINC000682240923 545822951 /nfs/dbraw/zinc/82/29/51/545822951.db2.gz WHHHMWWRTPJRIX-UHFFFAOYSA-N -1 1 314.316 2.676 20 0 DFADMM COc1cc(C(=O)N(C)c2c(C)noc2C)cc(Cl)c1[O-] ZINC000682362609 545830216 /nfs/dbraw/zinc/83/02/16/545830216.db2.gz KVLVXNXCSREAOV-UHFFFAOYSA-N -1 1 310.737 2.936 20 0 DFADMM COc1cccc(S(=O)(=O)[N-]c2cc3c[nH]nc3cc2C)c1 ZINC000682901362 545938277 /nfs/dbraw/zinc/93/82/77/545938277.db2.gz JTMWQJFQIBPWEJ-UHFFFAOYSA-N -1 1 317.370 2.681 20 0 DFADMM CCC(C)(C)C[N-]S(=O)(=O)c1c(F)cc(OC)cc1F ZINC000683197125 545988019 /nfs/dbraw/zinc/98/80/19/545988019.db2.gz YOMGLZNSYPFNRM-UHFFFAOYSA-N -1 1 307.362 2.688 20 0 DFADMM O=C(N[C@@H]1CCc2cc(O)ccc2C1)c1cc(F)ccc1[O-] ZINC000683506885 546046699 /nfs/dbraw/zinc/04/66/99/546046699.db2.gz BWDIPKRUMLRZNI-CYBMUJFWSA-N -1 1 301.317 2.524 20 0 DFADMM CO[C@H]1CCOc2c([N-]S(=O)(=O)CCC3CC3)cccc21 ZINC000684097766 546150713 /nfs/dbraw/zinc/15/07/13/546150713.db2.gz OSTPGFRPTNQRIH-AWEZNQCLSA-N -1 1 311.403 2.698 20 0 DFADMM CC[C@](C)(OC)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000684562387 546243995 /nfs/dbraw/zinc/24/39/95/546243995.db2.gz VYLRYLKEEHLMPY-SFHVURJKSA-N -1 1 319.401 2.629 20 0 DFADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H](CC(C)C)c1ccccc1 ZINC000684841380 546289531 /nfs/dbraw/zinc/28/95/31/546289531.db2.gz XSMZWJVJMUHLHM-ZDUSSCGKSA-N -1 1 323.418 2.631 20 0 DFADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H](CC(C)C)c1ccccc1 ZINC000684841379 546289568 /nfs/dbraw/zinc/28/95/68/546289568.db2.gz XSMZWJVJMUHLHM-CYBMUJFWSA-N -1 1 323.418 2.631 20 0 DFADMM O=C(NCCCOCC1CC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684870101 546295384 /nfs/dbraw/zinc/29/53/84/546295384.db2.gz LDXOAQWKDGMTQZ-UHFFFAOYSA-N -1 1 317.307 2.958 20 0 DFADMM O=C(NC[C@H]1CCCCO1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684874895 546296362 /nfs/dbraw/zinc/29/63/62/546296362.db2.gz WUWLACBNHRSODN-SNVBAGLBSA-N -1 1 303.280 2.710 20 0 DFADMM COC[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000684874720 546296424 /nfs/dbraw/zinc/29/64/24/546296424.db2.gz WNHKOTSUMXKFDP-SNVBAGLBSA-N -1 1 317.307 2.910 20 0 DFADMM O=C(c1c(F)ccc([O-])c1F)N1CC(Oc2ccccc2)C1 ZINC000685431337 546348714 /nfs/dbraw/zinc/34/87/14/546348714.db2.gz AKMQLUMACPIXNI-UHFFFAOYSA-N -1 1 305.280 2.574 20 0 DFADMM Clc1nsc(NCC2CCSCC2)c1-c1nnn[n-]1 ZINC000737584982 598829008 /nfs/dbraw/zinc/82/90/08/598829008.db2.gz VIPPNFBMAMYFOV-UHFFFAOYSA-N -1 1 316.843 2.532 20 0 DFADMM Clc1nsc(NCC2CCSCC2)c1-c1nn[n-]n1 ZINC000737584982 598829010 /nfs/dbraw/zinc/82/90/10/598829010.db2.gz VIPPNFBMAMYFOV-UHFFFAOYSA-N -1 1 316.843 2.532 20 0 DFADMM Fc1cccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000737659956 598959058 /nfs/dbraw/zinc/95/90/58/598959058.db2.gz GTFLDTMRISCASJ-UHFFFAOYSA-N -1 1 321.319 2.561 20 0 DFADMM Fc1cccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000737659956 598959060 /nfs/dbraw/zinc/95/90/60/598959060.db2.gz GTFLDTMRISCASJ-UHFFFAOYSA-N -1 1 321.319 2.561 20 0 DFADMM CC[C@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000736401595 598971186 /nfs/dbraw/zinc/97/11/86/598971186.db2.gz KBIBWSRHRZTRQL-LBPRGKRZSA-N -1 1 323.404 2.826 20 0 DFADMM CC[C@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000736401595 598971188 /nfs/dbraw/zinc/97/11/88/598971188.db2.gz KBIBWSRHRZTRQL-LBPRGKRZSA-N -1 1 323.404 2.826 20 0 DFADMM CC(C)(C)c1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735652125 598978847 /nfs/dbraw/zinc/97/88/47/598978847.db2.gz BEBZHSXTMBCQII-UHFFFAOYSA-N -1 1 322.372 2.812 20 0 DFADMM CC(C)(C)c1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735652125 598978849 /nfs/dbraw/zinc/97/88/49/598978849.db2.gz BEBZHSXTMBCQII-UHFFFAOYSA-N -1 1 322.372 2.812 20 0 DFADMM CC(C)(C)c1cccc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000735652797 598980925 /nfs/dbraw/zinc/98/09/25/598980925.db2.gz RTMKNNWGNJJDQD-UHFFFAOYSA-N -1 1 323.356 2.778 20 0 DFADMM CC(C)(C)c1cccc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000735652797 598980926 /nfs/dbraw/zinc/98/09/26/598980926.db2.gz RTMKNNWGNJJDQD-UHFFFAOYSA-N -1 1 323.356 2.778 20 0 DFADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)nc1)c1cc(C)cc(C)c1 ZINC000736506103 598989464 /nfs/dbraw/zinc/98/94/64/598989464.db2.gz RHXOKBUJXKUBFU-UHFFFAOYSA-N -1 1 322.372 2.545 20 0 DFADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)c1cc(C)cc(C)c1 ZINC000736506103 598989466 /nfs/dbraw/zinc/98/94/66/598989466.db2.gz RHXOKBUJXKUBFU-UHFFFAOYSA-N -1 1 322.372 2.545 20 0 DFADMM CC1(C)CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000820594836 599038121 /nfs/dbraw/zinc/03/81/21/599038121.db2.gz DEIPWYNPKMRJBU-UHFFFAOYSA-N -1 1 306.801 2.932 20 0 DFADMM CC1(C)CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000820594836 599038124 /nfs/dbraw/zinc/03/81/24/599038124.db2.gz DEIPWYNPKMRJBU-UHFFFAOYSA-N -1 1 306.801 2.932 20 0 DFADMM CCN(CCNCc1ccc(Br)cc1F)C(=O)[O-] ZINC000739434175 602311229 /nfs/dbraw/zinc/31/12/29/602311229.db2.gz MTKWPWBTMQHUFA-UHFFFAOYSA-N -1 1 319.174 2.678 20 0 DFADMM CCCC[C@@H](CC)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736436194 599151715 /nfs/dbraw/zinc/15/17/15/599151715.db2.gz BEWYFRLLJTZLRJ-LLVKDONJSA-N -1 1 303.366 2.635 20 0 DFADMM CCCC[C@@H](CC)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736436194 599151717 /nfs/dbraw/zinc/15/17/17/599151717.db2.gz BEWYFRLLJTZLRJ-LLVKDONJSA-N -1 1 303.366 2.635 20 0 DFADMM Clc1ccc(N2CCC[C@@H]2c2ccco2)nc1-c1nnn[n-]1 ZINC000737574545 599169837 /nfs/dbraw/zinc/16/98/37/599169837.db2.gz HCMJFIJOOXXSRE-SNVBAGLBSA-N -1 1 316.752 2.850 20 0 DFADMM Clc1ccc(N2CCC[C@@H]2c2ccco2)nc1-c1nn[n-]n1 ZINC000737574545 599169838 /nfs/dbraw/zinc/16/98/38/599169838.db2.gz HCMJFIJOOXXSRE-SNVBAGLBSA-N -1 1 316.752 2.850 20 0 DFADMM CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N(C)CCC(=O)[O-] ZINC000818136074 596996492 /nfs/dbraw/zinc/99/64/92/596996492.db2.gz DULPLRHLQGTIIE-STQMWFEESA-N -1 1 306.406 2.934 20 0 DFADMM CCc1cccc(CC)c1NC(=O)[C@H](C)N(C)CCC(=O)[O-] ZINC000062453806 596999667 /nfs/dbraw/zinc/99/96/67/596999667.db2.gz REAOEDXPSBERCT-LBPRGKRZSA-N -1 1 306.406 2.545 20 0 DFADMM CN(CC(=O)[O-])Cn1cc(C(F)(F)F)cc(Cl)c1=S ZINC000739631371 597053640 /nfs/dbraw/zinc/05/36/40/597053640.db2.gz DJHMEOLVPWIYBM-UHFFFAOYSA-N -1 1 314.716 2.864 20 0 DFADMM Cc1cccc(NC(=O)[C@@H](C)N2CCC[C@H](CC(=O)[O-])C2)c1C ZINC000818944289 597080218 /nfs/dbraw/zinc/08/02/18/597080218.db2.gz OKVAMUAYILPGAB-HUUCEWRRSA-N -1 1 318.417 2.817 20 0 DFADMM CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N1CC[C@@H](C(=O)[O-])C1 ZINC000818136105 597525334 /nfs/dbraw/zinc/52/53/34/597525334.db2.gz JTIJTKSOFQUYDZ-BFHYXJOUSA-N -1 1 318.417 2.934 20 0 DFADMM CC(C)N(CCCCC(=O)[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000737636143 597793973 /nfs/dbraw/zinc/79/39/73/597793973.db2.gz LWWYSAFRIHZDTD-UHFFFAOYSA-N -1 1 317.389 2.801 20 0 DFADMM CCSCC[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000821462288 607327123 /nfs/dbraw/zinc/32/71/23/607327123.db2.gz YKORWAJNNZSARK-ZCFIWIBFSA-N -1 1 318.859 2.920 20 0 DFADMM CCSCC[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000821462288 607327124 /nfs/dbraw/zinc/32/71/24/607327124.db2.gz YKORWAJNNZSARK-ZCFIWIBFSA-N -1 1 318.859 2.920 20 0 DFADMM CCOc1cccc(CN2CC[C@H](C(=O)[O-])C2)c1OC(F)F ZINC000820391598 598129162 /nfs/dbraw/zinc/12/91/62/598129162.db2.gz CTRKKIYRYWVMOR-NSHDSACASA-N -1 1 315.316 2.593 20 0 DFADMM CC(C)n1ncc2cc(CN(C)[C@H](C)C(=O)[O-])c(Cl)nc21 ZINC000819888850 598130829 /nfs/dbraw/zinc/13/08/29/598130829.db2.gz FMGVNZOKJGJJME-SECBINFHSA-N -1 1 310.785 2.571 20 0 DFADMM Fc1ccccc1CCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000737669071 598275998 /nfs/dbraw/zinc/27/59/98/598275998.db2.gz IVZLATCNDFADSA-UHFFFAOYSA-N -1 1 318.743 2.709 20 0 DFADMM Fc1ccccc1CCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000737669071 598276000 /nfs/dbraw/zinc/27/60/00/598276000.db2.gz IVZLATCNDFADSA-UHFFFAOYSA-N -1 1 318.743 2.709 20 0 DFADMM Clc1ccc(CNc2nccnc2-c2nnn[n-]2)c(Cl)c1 ZINC000737577171 598336697 /nfs/dbraw/zinc/33/66/97/598336697.db2.gz USSFBNOAMYJZDZ-UHFFFAOYSA-N -1 1 322.159 2.576 20 0 DFADMM Clc1ccc(CNc2nccnc2-c2nn[n-]n2)c(Cl)c1 ZINC000737577171 598336699 /nfs/dbraw/zinc/33/66/99/598336699.db2.gz USSFBNOAMYJZDZ-UHFFFAOYSA-N -1 1 322.159 2.576 20 0 DFADMM Clc1ccc(NC[C@H]2CC2(Cl)Cl)nc1-c1nnn[n-]1 ZINC000737574110 598571637 /nfs/dbraw/zinc/57/16/37/598571637.db2.gz LDQJEAYIUQSIHP-RXMQYKEDSA-N -1 1 319.583 2.521 20 0 DFADMM Clc1ccc(NC[C@H]2CC2(Cl)Cl)nc1-c1nn[n-]n1 ZINC000737574110 598571639 /nfs/dbraw/zinc/57/16/39/598571639.db2.gz LDQJEAYIUQSIHP-RXMQYKEDSA-N -1 1 319.583 2.521 20 0 DFADMM Cc1cccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000737393862 598573906 /nfs/dbraw/zinc/57/39/06/598573906.db2.gz NJRBEOVVUKTYJD-UHFFFAOYSA-N -1 1 300.753 2.836 20 0 DFADMM Cc1cccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000737393862 598573907 /nfs/dbraw/zinc/57/39/07/598573907.db2.gz NJRBEOVVUKTYJD-UHFFFAOYSA-N -1 1 300.753 2.836 20 0 DFADMM Cc1ccccc1[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1 ZINC000737424393 598774373 /nfs/dbraw/zinc/77/43/73/598774373.db2.gz YAVONZMFRSGAPO-ZDUSSCGKSA-N -1 1 307.361 2.528 20 0 DFADMM Cc1ccccc1[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1 ZINC000737424393 598774375 /nfs/dbraw/zinc/77/43/75/598774375.db2.gz YAVONZMFRSGAPO-ZDUSSCGKSA-N -1 1 307.361 2.528 20 0 DFADMM O=C1Nc2ccc(Cl)cc2C1=Cc1ccc(-c2nnn[n-]2)o1 ZINC000823546703 599378112 /nfs/dbraw/zinc/37/81/12/599378112.db2.gz DOMAEMWHEVCJTA-POHAHGRESA-N -1 1 313.704 2.606 20 0 DFADMM O=C1Nc2ccc(Cl)cc2C1=Cc1ccc(-c2nn[n-]n2)o1 ZINC000823546703 599378115 /nfs/dbraw/zinc/37/81/15/599378115.db2.gz DOMAEMWHEVCJTA-POHAHGRESA-N -1 1 313.704 2.606 20 0 DFADMM FC(F)(F)c1cccc(CNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000737637049 599395273 /nfs/dbraw/zinc/39/52/73/599395273.db2.gz YIFMXORXTCNWHN-UHFFFAOYSA-N -1 1 320.278 2.893 20 0 DFADMM FC(F)(F)c1cccc(CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000737637049 599395279 /nfs/dbraw/zinc/39/52/79/599395279.db2.gz YIFMXORXTCNWHN-UHFFFAOYSA-N -1 1 320.278 2.893 20 0 DFADMM Cc1ccc(CCCNc2cccc(-c3nnn[n-]3)n2)c(C)c1 ZINC000737338510 599397412 /nfs/dbraw/zinc/39/74/12/599397412.db2.gz ULFSHGCMRLYMGQ-UHFFFAOYSA-N -1 1 308.389 2.923 20 0 DFADMM Cc1ccc(CCCNc2cccc(-c3nn[n-]n3)n2)c(C)c1 ZINC000737338510 599397414 /nfs/dbraw/zinc/39/74/14/599397414.db2.gz ULFSHGCMRLYMGQ-UHFFFAOYSA-N -1 1 308.389 2.923 20 0 DFADMM CC(C)Oc1cccc(CNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000735913835 599410435 /nfs/dbraw/zinc/41/04/35/599410435.db2.gz SBCWMIIPMHEHLJ-UHFFFAOYSA-N -1 1 310.361 2.661 20 0 DFADMM CC(C)Oc1cccc(CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000735913835 599410438 /nfs/dbraw/zinc/41/04/38/599410438.db2.gz SBCWMIIPMHEHLJ-UHFFFAOYSA-N -1 1 310.361 2.661 20 0 DFADMM Cc1ccc(CCNc2cc(-c3nnn[n-]3)nc3ccccc32)o1 ZINC000822236148 599474102 /nfs/dbraw/zinc/47/41/02/599474102.db2.gz LUGNQGGYDIRNGY-UHFFFAOYSA-N -1 1 320.356 2.971 20 0 DFADMM Cc1ccc(CCNc2cc(-c3nn[n-]n3)nc3ccccc32)o1 ZINC000822236148 599474105 /nfs/dbraw/zinc/47/41/05/599474105.db2.gz LUGNQGGYDIRNGY-UHFFFAOYSA-N -1 1 320.356 2.971 20 0 DFADMM COCCCCCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821687107 599506084 /nfs/dbraw/zinc/50/60/84/599506084.db2.gz OQHTWBCMVUKAGT-UHFFFAOYSA-N -1 1 312.377 2.644 20 0 DFADMM COCCCCCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821687107 599506086 /nfs/dbraw/zinc/50/60/86/599506086.db2.gz OQHTWBCMVUKAGT-UHFFFAOYSA-N -1 1 312.377 2.644 20 0 DFADMM C[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1cccc(O)c1 ZINC000820455835 599516529 /nfs/dbraw/zinc/51/65/29/599516529.db2.gz NQGXSPZAUMZRLI-QMMMGPOBSA-N -1 1 316.752 2.794 20 0 DFADMM C[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1cccc(O)c1 ZINC000820455835 599516531 /nfs/dbraw/zinc/51/65/31/599516531.db2.gz NQGXSPZAUMZRLI-QMMMGPOBSA-N -1 1 316.752 2.794 20 0 DFADMM Cc1ccccc1[C@@H]1C[C@@H](C)N(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000737421466 599529564 /nfs/dbraw/zinc/52/95/64/599529564.db2.gz IWRNILIRFOPMAX-ZIAGYGMSSA-N -1 1 320.400 2.953 20 0 DFADMM Cc1ccccc1[C@@H]1C[C@@H](C)N(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000737421466 599529567 /nfs/dbraw/zinc/52/95/67/599529567.db2.gz IWRNILIRFOPMAX-ZIAGYGMSSA-N -1 1 320.400 2.953 20 0 DFADMM COc1ccc([C@@H](C)CCNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000821777703 599587899 /nfs/dbraw/zinc/58/78/99/599587899.db2.gz LMQQMKCKUKRRRW-LBPRGKRZSA-N -1 1 324.388 2.876 20 0 DFADMM COc1ccc([C@@H](C)CCNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000821777703 599587903 /nfs/dbraw/zinc/58/79/03/599587903.db2.gz LMQQMKCKUKRRRW-LBPRGKRZSA-N -1 1 324.388 2.876 20 0 DFADMM CN(CC[S@@](=O)c1ccccc1)Cc1ccc(C(=O)[O-])cc1 ZINC000737449171 599779925 /nfs/dbraw/zinc/77/99/25/599779925.db2.gz NHZQGUWGFLKKBH-JOCHJYFZSA-N -1 1 317.410 2.624 20 0 DFADMM COc1ccc([N+](=O)[O-])cc1CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000321283965 599783872 /nfs/dbraw/zinc/78/38/72/599783872.db2.gz GJTUPHDFUATVKD-OAHLLOKOSA-N -1 1 316.313 2.519 20 0 DFADMM COc1ccc([C@H](NCc2cc(C)ccc2OC)C(=O)[O-])cc1 ZINC000737973607 599858346 /nfs/dbraw/zinc/85/83/46/599858346.db2.gz QVVBZBGTQVMUSR-KRWDZBQOSA-N -1 1 315.369 2.928 20 0 DFADMM CC(C)Cc1ccc([C@@H](C)NC(=O)CNC(C)(C)C(=O)[O-])cc1 ZINC000736454164 599924745 /nfs/dbraw/zinc/92/47/45/599924745.db2.gz RGNYFWDZCLKILM-CYBMUJFWSA-N -1 1 320.433 2.515 20 0 DFADMM CC(C)N(C(=O)CN(C[C@@H](C)C(=O)[O-])C1CC1)c1ccccc1 ZINC000736577636 599950380 /nfs/dbraw/zinc/95/03/80/599950380.db2.gz FFSNQLCZPQQEES-CQSZACIVSA-N -1 1 318.417 2.613 20 0 DFADMM Cc1cccc(-c2nnc([C@@H](C)N3CCC[C@H](C(=O)[O-])C3)o2)c1 ZINC000738305706 600137584 /nfs/dbraw/zinc/13/75/84/600137584.db2.gz DVIOQWDTNULCIH-OCCSQVGLSA-N -1 1 315.373 2.903 20 0 DFADMM CCC[C@@](C)(NCC(=O)Nc1cccc(SC)c1)C(=O)[O-] ZINC000736964287 600152939 /nfs/dbraw/zinc/15/29/39/600152939.db2.gz MNHZBZRUJLSSJT-OAHLLOKOSA-N -1 1 310.419 2.580 20 0 DFADMM CCC[C@](C)(NCC(=O)N[C@H](c1ccccc1)C(C)C)C(=O)[O-] ZINC000736966191 600153469 /nfs/dbraw/zinc/15/34/69/600153469.db2.gz ZMRVOFDMWSNNFJ-WMZOPIPTSA-N -1 1 320.433 2.733 20 0 DFADMM O=C([O-])COc1cccc(C(=O)Nc2cccc(Cl)c2O)c1 ZINC000739825517 600269123 /nfs/dbraw/zinc/26/91/23/600269123.db2.gz GPTFUSPKIXVZLA-UHFFFAOYSA-N -1 1 321.716 2.761 20 0 DFADMM CC(C)N(C(=O)CNC1(C(=O)[O-])CCCCC1)C1CCCC1 ZINC000736454515 600318255 /nfs/dbraw/zinc/31/82/55/600318255.db2.gz HZQXFHWHGRNGDM-UHFFFAOYSA-N -1 1 310.438 2.543 20 0 DFADMM CC[C@H](C)[C@@H](NC(=O)CN1CCCC2(CCCCC2)C1)C(=O)[O-] ZINC000736879843 600337942 /nfs/dbraw/zinc/33/79/42/600337942.db2.gz RSFIXBUXODGYHF-GOEBONIOSA-N -1 1 324.465 2.648 20 0 DFADMM Cc1cc(C)c(NC(=O)CN(C)C[C@H](C)C(=O)[O-])c(Cl)c1 ZINC000042706956 600362196 /nfs/dbraw/zinc/36/21/96/600362196.db2.gz FDJIGMSUHFVIPD-NSHDSACASA-N -1 1 312.797 2.548 20 0 DFADMM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1cccs1)N1CCCCCC1 ZINC000736212244 600382967 /nfs/dbraw/zinc/38/29/67/600382967.db2.gz RWZJPRVXEZLEGW-OLZOCXBDSA-N -1 1 324.446 2.645 20 0 DFADMM COc1c(C)cnc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)c1C ZINC000737840102 600430991 /nfs/dbraw/zinc/43/09/91/600430991.db2.gz QUIQSXWFPJPBDH-OAHLLOKOSA-N -1 1 318.348 2.762 20 0 DFADMM O=C([O-])c1ccc(CNCc2c[nH]nc2-c2ccc(F)cc2)o1 ZINC000740132240 600524169 /nfs/dbraw/zinc/52/41/69/600524169.db2.gz IKJMFMSDXUAGJK-UHFFFAOYSA-N -1 1 315.304 2.797 20 0 DFADMM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1CCC(F)(F)F ZINC000736823399 600712710 /nfs/dbraw/zinc/71/27/10/600712710.db2.gz LLRFXDLNKQUHFX-LLVKDONJSA-N -1 1 316.323 2.848 20 0 DFADMM C[C@H](OC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C)c1ccc(C(=O)[O-])o1 ZINC000736682702 600736285 /nfs/dbraw/zinc/73/62/85/600736285.db2.gz GNIULYUCUVYZFZ-BJDJZHNGSA-N -1 1 309.362 2.843 20 0 DFADMM CC(C)C[C@H]1CCN(CC(=O)Nc2ccsc2C(=O)[O-])C1 ZINC000826839912 600799475 /nfs/dbraw/zinc/79/94/75/600799475.db2.gz JFNNWEJHLFJWAL-LLVKDONJSA-N -1 1 310.419 2.753 20 0 DFADMM C[C@@H](CN(Cc1nnc(-c2cccc(F)c2)o1)C1CC1)C(=O)[O-] ZINC000827454809 600823678 /nfs/dbraw/zinc/82/36/78/600823678.db2.gz FUPIVVTUMZBMJP-JTQLQIEISA-N -1 1 319.336 2.561 20 0 DFADMM Cc1[nH]c(C(=O)CN2CC[C@@H](CC(C)C)C2)c(C)c1C(=O)[O-] ZINC000832843551 600824464 /nfs/dbraw/zinc/82/44/64/600824464.db2.gz DMOGVQNOTYUERH-ZDUSSCGKSA-N -1 1 306.406 2.880 20 0 DFADMM Cc1oc(C(=O)[O-])cc1CN(C)[C@H](CCO)c1ccccc1 ZINC000833024456 600841136 /nfs/dbraw/zinc/84/11/36/600841136.db2.gz CHZDWQYOLXDURH-OAHLLOKOSA-N -1 1 303.358 2.842 20 0 DFADMM CC(C)C[C@H](NC(=O)CN1CCC(C2CCCC2)CC1)C(=O)[O-] ZINC000826785978 600841443 /nfs/dbraw/zinc/84/14/43/600841443.db2.gz ILZZJRJDDRSYFL-INIZCTEOSA-N -1 1 324.465 2.504 20 0 DFADMM O=C([O-])C[C@H]1CN(C(=O)c2cccc3[nH]ncc32)c2ccccc21 ZINC000739647326 600908438 /nfs/dbraw/zinc/90/84/38/600908438.db2.gz UGWATEINOSDEED-NSHDSACASA-N -1 1 321.336 2.782 20 0 DFADMM C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000828214840 600936343 /nfs/dbraw/zinc/93/63/43/600936343.db2.gz UJAOGSLSVKHLKU-LZWOXQAQSA-N -1 1 318.417 2.582 20 0 DFADMM O=C([O-])c1ccccc1NC(=O)CN1CCC[C@H]2CCC[C@H]21 ZINC000833106833 601019776 /nfs/dbraw/zinc/01/97/76/601019776.db2.gz XBDDDHQECNSEGK-IUODEOHRSA-N -1 1 302.374 2.588 20 0 DFADMM Cc1ccc(-c2cc(CN[C@](C)(C(=O)[O-])C3CC3)on2)cc1 ZINC000832906167 601039447 /nfs/dbraw/zinc/03/94/47/601039447.db2.gz RQLBJXYJFFDWQQ-KRWDZBQOSA-N -1 1 300.358 2.993 20 0 DFADMM O=C([O-])[C@@H](c1ccc(Cl)cc1Cl)N1CCC[C@@H](CO)C1 ZINC000833171778 601154012 /nfs/dbraw/zinc/15/40/12/601154012.db2.gz PURYEHUTANIIHA-NOZJJQNGSA-N -1 1 318.200 2.823 20 0 DFADMM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1CCC[C@@H](CO)C1 ZINC000833171779 601154220 /nfs/dbraw/zinc/15/42/20/601154220.db2.gz PURYEHUTANIIHA-RNCFNFMXSA-N -1 1 318.200 2.823 20 0 DFADMM O=C([O-])[C@H](OC(=O)c1c(F)cc(O)cc1F)c1ccccc1 ZINC000833350023 601189389 /nfs/dbraw/zinc/18/93/89/601189389.db2.gz HXMROBAPDJEMHE-CYBMUJFWSA-N -1 1 308.236 2.653 20 0 DFADMM O=C([O-])C[C@@H](O)CSc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000833264454 601208376 /nfs/dbraw/zinc/20/83/76/601208376.db2.gz BBJWKGIPXFYRBN-SSDOTTSWSA-N -1 1 320.292 2.509 20 0 DFADMM COc1cc(C)c(CNCc2ccc(C(=O)[O-])o2)cc1OC ZINC000756285669 601329804 /nfs/dbraw/zinc/32/98/04/601329804.db2.gz MALQGPQLBVOQTK-UHFFFAOYSA-N -1 1 305.330 2.593 20 0 DFADMM CC(C)[C@H](C)NC(=O)CN1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000826680889 601430200 /nfs/dbraw/zinc/43/02/00/601430200.db2.gz KINLHKKLXPCPLW-BPUTZDHNSA-N -1 1 324.465 2.503 20 0 DFADMM O=C([O-])[C@@]1(F)CCN(CCCOc2ccc(Cl)cc2)C1 ZINC000833176047 601448152 /nfs/dbraw/zinc/44/81/52/601448152.db2.gz WCEXZQBWHIXJIU-CQSZACIVSA-N -1 1 301.745 2.608 20 0 DFADMM CC(C)[C@@H](C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1)N1CCCC1 ZINC000827802577 601466259 /nfs/dbraw/zinc/46/62/59/601466259.db2.gz FZPQZXFXSMSNIP-FZMZJTMJSA-N -1 1 309.362 2.702 20 0 DFADMM CCc1oc(C(=O)[O-])cc1COC(=O)[C@@H](C(C)C)N1CCCC1 ZINC000830378913 601466639 /nfs/dbraw/zinc/46/66/39/601466639.db2.gz BGZLNRHXWUBLIO-OAHLLOKOSA-N -1 1 323.389 2.704 20 0 DFADMM CCC1CCC(NCC(=O)N[C@@H]2CCCC[C@H]2C)(C(=O)[O-])CC1 ZINC000829100969 601494996 /nfs/dbraw/zinc/49/49/96/601494996.db2.gz FTEUSIPQHMCTAH-XYSPPFBYSA-N -1 1 324.465 2.695 20 0 DFADMM C[C@H]1CN(Cc2nnc(-c3cccc(Cl)c3)o2)C[C@H]1C(=O)[O-] ZINC000828463085 601514927 /nfs/dbraw/zinc/51/49/27/601514927.db2.gz OHSJNRDPNAAIDU-JOYOIKCWSA-N -1 1 321.764 2.543 20 0 DFADMM C[C@H]1CN(Cc2ccc(F)c(Br)c2)C[C@H]1C(=O)[O-] ZINC000251722315 601540862 /nfs/dbraw/zinc/54/08/62/601540862.db2.gz JYSAGQSAONGNHC-WCBMZHEXSA-N -1 1 316.170 2.741 20 0 DFADMM C[C@@H](N(C)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)C1(C)CC1 ZINC000827603169 601612376 /nfs/dbraw/zinc/61/23/76/601612376.db2.gz GUBQTRWUWTYBNM-SNVBAGLBSA-N -1 1 315.373 2.654 20 0 DFADMM Cc1sc(C(=O)[O-])cc1CN1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000833033109 601633417 /nfs/dbraw/zinc/63/34/17/601633417.db2.gz VKMFEXULFRCNGH-KOLCDFICSA-N -1 1 323.336 2.642 20 0 DFADMM Cc1cc(C)c2c(c1)N(Cc1ccnc(-c3nnn[n-]3)c1)CCC2 ZINC000826263745 607520184 /nfs/dbraw/zinc/52/01/84/607520184.db2.gz ORTQMNDVEKVMRM-UHFFFAOYSA-N -1 1 320.400 2.831 20 0 DFADMM Cc1cc(C)c2c(c1)N(Cc1ccnc(-c3nn[n-]n3)c1)CCC2 ZINC000826263745 607520185 /nfs/dbraw/zinc/52/01/85/607520185.db2.gz ORTQMNDVEKVMRM-UHFFFAOYSA-N -1 1 320.400 2.831 20 0 DFADMM C[C@@H](C(=O)OCc1ccc(C(=O)[O-])c(F)c1)N1CCCCCC1 ZINC000826064394 601730590 /nfs/dbraw/zinc/73/05/90/601730590.db2.gz JPQRKBKRVGISIU-LBPRGKRZSA-N -1 1 323.364 2.832 20 0 DFADMM C[C@@H](C(=O)OCc1ccc(C(=O)[O-])c(F)c1)N1[C@H](C)CC[C@@H]1C ZINC000828214743 601730680 /nfs/dbraw/zinc/73/06/80/601730680.db2.gz RNVSSFSTMSQLOE-TUAOUCFPSA-N -1 1 323.364 2.828 20 0 DFADMM c1cnn(-c2ccccc2NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000826519749 607524269 /nfs/dbraw/zinc/52/42/69/607524269.db2.gz MILLMVKUDQXVCZ-UHFFFAOYSA-N -1 1 323.385 2.726 20 0 DFADMM O=C([O-])CCC1CCN(C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000833224568 601843396 /nfs/dbraw/zinc/84/33/96/601843396.db2.gz ZYBPJQDHGCHZNO-OAHLLOKOSA-N -1 1 313.344 2.575 20 0 DFADMM CC(C)[C@H](NC(=O)CN[C@@H](C(=O)[O-])C(C)(C)C)c1ccccc1 ZINC000826693761 601869165 /nfs/dbraw/zinc/86/91/65/601869165.db2.gz MMEOUTOGZPCAQL-HOTGVXAUSA-N -1 1 320.433 2.589 20 0 DFADMM O=C([O-])CN(C(=O)c1cc(-c2cccs2)[nH]n1)C1CCCC1 ZINC000833244544 601872331 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CCn1c2ccccc2nc1[C@H](C)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000833867768 605944716 /nfs/dbraw/zinc/94/47/16/605944716.db2.gz SMIOQIOLEYOQOH-QWHCGFSZSA-N -1 1 316.405 2.849 20 0 DFADMM Cc1noc(C)c1CCN1CCN(C(=O)[O-])CC12CCCCC2 ZINC000833932031 606095076 /nfs/dbraw/zinc/09/50/76/606095076.db2.gz UHMQYYCXIDIPSD-UHFFFAOYSA-N -1 1 321.421 2.832 20 0 DFADMM O=C(OC/C=C\c1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823400604 606136035 /nfs/dbraw/zinc/13/60/35/606136035.db2.gz HNXRDPUIJDUKTB-DAXSKMNVSA-N -1 1 312.354 2.798 20 0 DFADMM O=C(OC/C=C\c1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823400604 606136037 /nfs/dbraw/zinc/13/60/37/606136037.db2.gz HNXRDPUIJDUKTB-DAXSKMNVSA-N -1 1 312.354 2.798 20 0 DFADMM Fc1ccc(F)c(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000822774308 606465724 /nfs/dbraw/zinc/46/57/24/606465724.db2.gz JSJUHPXAAXHZLJ-UHFFFAOYSA-N -1 1 309.663 2.986 20 0 DFADMM Fc1ccc(F)c(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000822774308 606465725 /nfs/dbraw/zinc/46/57/25/606465725.db2.gz JSJUHPXAAXHZLJ-UHFFFAOYSA-N -1 1 309.663 2.986 20 0 DFADMM CCCC[C@@H](CC)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821040782 606485680 /nfs/dbraw/zinc/48/56/80/606485680.db2.gz RJKTUYRCZWYKOK-SNVBAGLBSA-N -1 1 307.423 2.874 20 0 DFADMM CCCC[C@@H](CC)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821040782 606485682 /nfs/dbraw/zinc/48/56/82/606485682.db2.gz RJKTUYRCZWYKOK-SNVBAGLBSA-N -1 1 307.423 2.874 20 0 DFADMM Cc1cccc(C)c1OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822294345 606486164 /nfs/dbraw/zinc/48/61/64/606486164.db2.gz XMGUNWBTFUKLRV-UHFFFAOYSA-N -1 1 300.343 2.764 20 0 DFADMM Cc1cccc(C)c1OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822294345 606486165 /nfs/dbraw/zinc/48/61/65/606486165.db2.gz XMGUNWBTFUKLRV-UHFFFAOYSA-N -1 1 300.343 2.764 20 0 DFADMM O=C(NCc1ccccc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000823261703 606487931 /nfs/dbraw/zinc/48/79/31/606487931.db2.gz QTZRTJHBBKOJSJ-UHFFFAOYSA-N -1 1 319.777 2.512 20 0 DFADMM O=C(NCc1ccccc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000823261703 606487933 /nfs/dbraw/zinc/48/79/33/606487933.db2.gz QTZRTJHBBKOJSJ-UHFFFAOYSA-N -1 1 319.777 2.512 20 0 DFADMM CCc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821486549 606488727 /nfs/dbraw/zinc/48/87/27/606488727.db2.gz GBCWIIHZSZSFJR-UHFFFAOYSA-N -1 1 300.343 2.710 20 0 DFADMM CCc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821486549 606488730 /nfs/dbraw/zinc/48/87/30/606488730.db2.gz GBCWIIHZSZSFJR-UHFFFAOYSA-N -1 1 300.343 2.710 20 0 DFADMM CSc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821989444 606489288 /nfs/dbraw/zinc/48/92/88/606489288.db2.gz LCRWNYHMYNPPNE-UHFFFAOYSA-N -1 1 317.399 2.902 20 0 DFADMM CSc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821989444 606489290 /nfs/dbraw/zinc/48/92/90/606489290.db2.gz LCRWNYHMYNPPNE-UHFFFAOYSA-N -1 1 317.399 2.902 20 0 DFADMM Cn1ccc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)cc21 ZINC000822690401 606531147 /nfs/dbraw/zinc/53/11/47/606531147.db2.gz YBKMCWFFIMKILK-UHFFFAOYSA-N -1 1 324.369 2.672 20 0 DFADMM Cn1ccc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cc21 ZINC000822690401 606531148 /nfs/dbraw/zinc/53/11/48/606531148.db2.gz YBKMCWFFIMKILK-UHFFFAOYSA-N -1 1 324.369 2.672 20 0 DFADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C1CCCCC1 ZINC000820390180 606570374 /nfs/dbraw/zinc/57/03/74/606570374.db2.gz FVPYQHORXOQQIX-VIFPVBQESA-N -1 1 305.407 2.627 20 0 DFADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C1CCCCC1 ZINC000820390180 606570375 /nfs/dbraw/zinc/57/03/75/606570375.db2.gz FVPYQHORXOQQIX-VIFPVBQESA-N -1 1 305.407 2.627 20 0 DFADMM CSc1cc(C)ccc1CNc1cccc(-c2nnn[n-]2)n1 ZINC000821978995 606800801 /nfs/dbraw/zinc/80/08/01/606800801.db2.gz NWZQFNQLWMDHCJ-UHFFFAOYSA-N -1 1 312.402 2.904 20 0 DFADMM CSc1cc(C)ccc1CNc1cccc(-c2nn[n-]n2)n1 ZINC000821978995 606800803 /nfs/dbraw/zinc/80/08/03/606800803.db2.gz NWZQFNQLWMDHCJ-UHFFFAOYSA-N -1 1 312.402 2.904 20 0 DFADMM CCc1nnc(Oc2ccc(F)cc2)c(-c2nnn[n-]2)c1CC ZINC000821548690 606916349 /nfs/dbraw/zinc/91/63/49/606916349.db2.gz UDDCRBCVNNKNPG-UHFFFAOYSA-N -1 1 314.324 2.713 20 0 DFADMM CCc1nnc(Oc2ccc(F)cc2)c(-c2nn[n-]n2)c1CC ZINC000821548690 606916351 /nfs/dbraw/zinc/91/63/51/606916351.db2.gz UDDCRBCVNNKNPG-UHFFFAOYSA-N -1 1 314.324 2.713 20 0 DFADMM COc1ccccc1COc1cccc(F)c1-c1nnn[n-]1 ZINC000826220115 607863543 /nfs/dbraw/zinc/86/35/43/607863543.db2.gz CHUUTLBBDPYTQR-UHFFFAOYSA-N -1 1 300.293 2.593 20 0 DFADMM COc1ccccc1COc1cccc(F)c1-c1nn[n-]n1 ZINC000826220115 607863544 /nfs/dbraw/zinc/86/35/44/607863544.db2.gz CHUUTLBBDPYTQR-UHFFFAOYSA-N -1 1 300.293 2.593 20 0 DFADMM Fc1cccc(OCc2ccnc(Cl)c2)c1-c1nnn[n-]1 ZINC000826378070 607863842 /nfs/dbraw/zinc/86/38/42/607863842.db2.gz SYGMVFLFYJCLIU-UHFFFAOYSA-N -1 1 305.700 2.633 20 0 DFADMM Fc1cccc(OCc2ccnc(Cl)c2)c1-c1nn[n-]n1 ZINC000826378070 607863843 /nfs/dbraw/zinc/86/38/43/607863843.db2.gz SYGMVFLFYJCLIU-UHFFFAOYSA-N -1 1 305.700 2.633 20 0 DFADMM Fc1cccc(OC[C@H]2CC2(Cl)Cl)c1-c1nnn[n-]1 ZINC000826378128 607864623 /nfs/dbraw/zinc/86/46/23/607864623.db2.gz WNJAEEJDVIQWCE-ZCFIWIBFSA-N -1 1 303.124 2.578 20 0 DFADMM Fc1cccc(OC[C@H]2CC2(Cl)Cl)c1-c1nn[n-]n1 ZINC000826378128 607864624 /nfs/dbraw/zinc/86/46/24/607864624.db2.gz WNJAEEJDVIQWCE-ZCFIWIBFSA-N -1 1 303.124 2.578 20 0 DFADMM Cc1ccccc1C[C@@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000826306519 607900262 /nfs/dbraw/zinc/90/02/62/607900262.db2.gz BUKVTEJZPSIYHS-HNNXBMFYSA-N -1 1 320.400 2.782 20 0 DFADMM Cc1ccccc1C[C@@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000826306519 607900263 /nfs/dbraw/zinc/90/02/63/607900263.db2.gz BUKVTEJZPSIYHS-HNNXBMFYSA-N -1 1 320.400 2.782 20 0 DFADMM C[C@@H]1CCN(c2cccc(-c3nnn[n-]3)n2)[C@H](c2ccco2)C1 ZINC000824962569 607900910 /nfs/dbraw/zinc/90/09/10/607900910.db2.gz VSDXZIDOYXDYSN-YPMHNXCESA-N -1 1 310.361 2.832 20 0 DFADMM C[C@@H]1CCN(c2cccc(-c3nn[n-]n3)n2)[C@H](c2ccco2)C1 ZINC000824962569 607900911 /nfs/dbraw/zinc/90/09/11/607900911.db2.gz VSDXZIDOYXDYSN-YPMHNXCESA-N -1 1 310.361 2.832 20 0 DFADMM Clc1ccc([C@@H]2CCN2c2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826351245 607900980 /nfs/dbraw/zinc/90/09/80/607900980.db2.gz FHLBMACNUYFUKE-ZDUSSCGKSA-N -1 1 312.764 2.867 20 0 DFADMM Clc1ccc([C@@H]2CCN2c2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826351245 607900981 /nfs/dbraw/zinc/90/09/81/607900981.db2.gz FHLBMACNUYFUKE-ZDUSSCGKSA-N -1 1 312.764 2.867 20 0 DFADMM Fc1cc(OCc2ccnc(-c3nnn[n-]3)c2)ccc1Cl ZINC000826373059 608078247 /nfs/dbraw/zinc/07/82/47/608078247.db2.gz YCMYEKSLYQNGSP-UHFFFAOYSA-N -1 1 305.700 2.633 20 0 DFADMM Fc1cc(OCc2ccnc(-c3nn[n-]n3)c2)ccc1Cl ZINC000826373059 608078248 /nfs/dbraw/zinc/07/82/48/608078248.db2.gz YCMYEKSLYQNGSP-UHFFFAOYSA-N -1 1 305.700 2.633 20 0 DFADMM C[C@H]1CCC[C@H](C)N(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000824927434 608185154 /nfs/dbraw/zinc/18/51/54/608185154.db2.gz OGLVQMUDZJROAE-YUMQZZPRSA-N -1 1 312.830 2.992 20 0 DFADMM C[C@H]1CCC[C@H](C)N(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000824927434 608185155 /nfs/dbraw/zinc/18/51/55/608185155.db2.gz OGLVQMUDZJROAE-YUMQZZPRSA-N -1 1 312.830 2.992 20 0 DFADMM CC(C)[C@@H]1C[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CCO1 ZINC000824214691 608242129 /nfs/dbraw/zinc/24/21/29/608242129.db2.gz HGZAGBKVWVNGSU-KOLCDFICSA-N -1 1 322.800 2.531 20 0 DFADMM CC(C)[C@@H]1C[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CCO1 ZINC000824214691 608242130 /nfs/dbraw/zinc/24/21/30/608242130.db2.gz HGZAGBKVWVNGSU-KOLCDFICSA-N -1 1 322.800 2.531 20 0 DFADMM Cc1ccsc1CCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000826316173 608294469 /nfs/dbraw/zinc/29/44/69/608294469.db2.gz GFAYWKXWMCPNCL-UHFFFAOYSA-N -1 1 320.809 2.940 20 0 DFADMM Cc1ccsc1CCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000826316173 608294470 /nfs/dbraw/zinc/29/44/70/608294470.db2.gz GFAYWKXWMCPNCL-UHFFFAOYSA-N -1 1 320.809 2.940 20 0 DFADMM Clc1cccc(Cl)c1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826353163 608407155 /nfs/dbraw/zinc/40/71/55/608407155.db2.gz DRHAIDQWFBZWHA-UHFFFAOYSA-N -1 1 322.159 2.576 20 0 DFADMM Clc1cccc(Cl)c1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826353163 608407156 /nfs/dbraw/zinc/40/71/56/608407156.db2.gz DRHAIDQWFBZWHA-UHFFFAOYSA-N -1 1 322.159 2.576 20 0 DFADMM c1ccc2c(c1)CCCC[C@@H]2Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826523131 608411225 /nfs/dbraw/zinc/41/12/25/608411225.db2.gz BJUUDKCFCRMNIL-ZDUSSCGKSA-N -1 1 307.361 2.536 20 0 DFADMM c1ccc2c(c1)CCCC[C@@H]2Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826523131 608411226 /nfs/dbraw/zinc/41/12/26/608411226.db2.gz BJUUDKCFCRMNIL-ZDUSSCGKSA-N -1 1 307.361 2.536 20 0 DFADMM CC[C@H](CSC)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000825126614 608416645 /nfs/dbraw/zinc/41/66/45/608416645.db2.gz JGRHERDMYPPHBS-SNVBAGLBSA-N -1 1 314.418 2.968 20 0 DFADMM CC[C@H](CSC)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000825126614 608416647 /nfs/dbraw/zinc/41/66/47/608416647.db2.gz JGRHERDMYPPHBS-SNVBAGLBSA-N -1 1 314.418 2.968 20 0 DFADMM CC(C)C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1cccs1 ZINC000824235875 608428512 /nfs/dbraw/zinc/42/85/12/608428512.db2.gz LFNOHINCWVNECI-NSHDSACASA-N -1 1 315.406 2.918 20 0 DFADMM CC(C)C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1cccs1 ZINC000824235875 608428514 /nfs/dbraw/zinc/42/85/14/608428514.db2.gz LFNOHINCWVNECI-NSHDSACASA-N -1 1 315.406 2.918 20 0 DFADMM CC1(C)CC[C@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000824801108 608555979 /nfs/dbraw/zinc/55/59/79/608555979.db2.gz AZUFWICJUQIRJG-JTQLQIEISA-N -1 1 309.377 2.801 20 0 DFADMM CC1(C)CC[C@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000824801108 608555981 /nfs/dbraw/zinc/55/59/81/608555981.db2.gz AZUFWICJUQIRJG-JTQLQIEISA-N -1 1 309.377 2.801 20 0 DFADMM c1csc([C@H]2CCCCN2Cc2ccc(-c3nnn[n-]3)o2)n1 ZINC000826526024 608665149 /nfs/dbraw/zinc/66/51/49/608665149.db2.gz IHXGTXRNOWXXQB-LLVKDONJSA-N -1 1 316.390 2.643 20 0 DFADMM c1csc([C@H]2CCCCN2Cc2ccc(-c3nn[n-]n3)o2)n1 ZINC000826526024 608665150 /nfs/dbraw/zinc/66/51/50/608665150.db2.gz IHXGTXRNOWXXQB-LLVKDONJSA-N -1 1 316.390 2.643 20 0 DFADMM FC(F)(F)CN(Cc1ccc(-c2nnn[n-]2)o1)CC1CCC1 ZINC000826367855 608831925 /nfs/dbraw/zinc/83/19/25/608831925.db2.gz QYUWVCTWFPKRRD-UHFFFAOYSA-N -1 1 315.299 2.624 20 0 DFADMM FC(F)(F)CN(Cc1ccc(-c2nn[n-]n2)o1)CC1CCC1 ZINC000826367855 608831927 /nfs/dbraw/zinc/83/19/27/608831927.db2.gz QYUWVCTWFPKRRD-UHFFFAOYSA-N -1 1 315.299 2.624 20 0 DFADMM Clc1cccc2c1CCN2Cc1ccc(-c2nnn[n-]2)o1 ZINC000826353359 609174992 /nfs/dbraw/zinc/17/49/92/609174992.db2.gz MCNRHNDWTLFNKP-UHFFFAOYSA-N -1 1 301.737 2.676 20 0 DFADMM Clc1cccc2c1CCN2Cc1ccc(-c2nn[n-]n2)o1 ZINC000826353359 609174994 /nfs/dbraw/zinc/17/49/94/609174994.db2.gz MCNRHNDWTLFNKP-UHFFFAOYSA-N -1 1 301.737 2.676 20 0 DFADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc(-c2nn[nH]n2)cs1 ZINC000826454774 609254903 /nfs/dbraw/zinc/25/49/03/609254903.db2.gz KPNVCCDEIKYMOD-UHFFFAOYSA-N -1 1 321.749 2.540 20 0 DFADMM CC[C@@H](C)CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825066939 609278670 /nfs/dbraw/zinc/27/86/70/609278670.db2.gz FVZXPPPWCMXSCZ-SNVBAGLBSA-N -1 1 315.356 2.650 20 0 DFADMM C[C@@H]1CC[C@]2(CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C2)C1 ZINC000824916697 609389829 /nfs/dbraw/zinc/38/98/29/609389829.db2.gz LLECSIYCEOTRAI-BMIGLBTASA-N -1 1 318.812 2.932 20 0 DFADMM C[C@@H]1CC[C@]2(CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)C2)C1 ZINC000824916697 609389831 /nfs/dbraw/zinc/38/98/31/609389831.db2.gz LLECSIYCEOTRAI-BMIGLBTASA-N -1 1 318.812 2.932 20 0 DFADMM C[C@H]1CC[C@@]2(CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C2)C1 ZINC000824916705 609390094 /nfs/dbraw/zinc/39/00/94/609390094.db2.gz LLECSIYCEOTRAI-ZUZCIYMTSA-N -1 1 318.812 2.932 20 0 DFADMM C[C@H]1CC[C@@]2(CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)C2)C1 ZINC000824916705 609390097 /nfs/dbraw/zinc/39/00/97/609390097.db2.gz LLECSIYCEOTRAI-ZUZCIYMTSA-N -1 1 318.812 2.932 20 0 DFADMM C[C@@H]1CC[C@]2(CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC000824914977 609396163 /nfs/dbraw/zinc/39/61/63/609396163.db2.gz AUSANQBQJDTINY-BMIGLBTASA-N -1 1 317.418 2.581 20 0 DFADMM C[C@@H]1CC[C@]2(CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC000824914977 609396165 /nfs/dbraw/zinc/39/61/65/609396165.db2.gz AUSANQBQJDTINY-BMIGLBTASA-N -1 1 317.418 2.581 20 0 DFADMM Cc1nc2c(s1)[C@@H](Nc1cccc(-c3nnn[n-]3)n1)CCC2 ZINC000826328097 609565253 /nfs/dbraw/zinc/56/52/53/609565253.db2.gz GESQOMIFSXAQIM-JTQLQIEISA-N -1 1 313.390 2.516 20 0 DFADMM Cc1nc2c(s1)[C@@H](Nc1cccc(-c3nn[n-]n3)n1)CCC2 ZINC000826328097 609565255 /nfs/dbraw/zinc/56/52/55/609565255.db2.gz GESQOMIFSXAQIM-JTQLQIEISA-N -1 1 313.390 2.516 20 0 DFADMM C[C@H](NC(=O)c1ccc([O-])cc1F)c1nc(C(C)(C)C)no1 ZINC000181245756 199271147 /nfs/dbraw/zinc/27/11/47/199271147.db2.gz WXUDZGZVNAHEGI-QMMMGPOBSA-N -1 1 307.325 2.703 20 0 DFADMM Cc1cccc(S(=O)(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1F ZINC000313224928 231123676 /nfs/dbraw/zinc/12/36/76/231123676.db2.gz AZTNEEDMXOBMAF-UHFFFAOYSA-N -1 1 323.345 2.942 20 0 DFADMM COC(=O)c1c[n-]c(SCCCCC(=O)OC(C)(C)C)n1 ZINC000278735770 214365611 /nfs/dbraw/zinc/36/56/11/214365611.db2.gz UZESRFMEZJKZEW-UHFFFAOYSA-N -1 1 314.407 2.800 20 0 DFADMM CCc1nc(SCC(=O)N2[C@H](C)CCC[C@H]2C)[n-]c(=O)c1C ZINC000005625524 398352282 /nfs/dbraw/zinc/35/22/82/398352282.db2.gz CBXOCWCDFXMTEK-GHMZBOCLSA-N -1 1 323.462 2.522 20 0 DFADMM Cc1n[n-]c(=S)n1CCNC(=O)c1c(C)cc(C)cc1C ZINC000090685128 185309718 /nfs/dbraw/zinc/30/97/18/185309718.db2.gz VVWRIUQJEOYYLD-UHFFFAOYSA-N -1 1 304.419 2.604 20 0 DFADMM CSc1ccc(NC(=O)NCCn2c(C)n[n-]c2=S)cc1 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O=c1cc(/C=C/c2ccc(C(F)(F)F)s2)nc2nc[n-]n21 ZINC000352034437 286275514 /nfs/dbraw/zinc/27/55/14/286275514.db2.gz BQOCTJRHADYCMY-OWOJBTEDSA-N -1 1 312.276 2.668 20 0 DFADMM Cc1cc(Cl)cc(C)c1/C=C/c1cc(=O)n2[n-]cnc2n1 ZINC000352034849 286275571 /nfs/dbraw/zinc/27/55/71/286275571.db2.gz IPRONKQEZDNJHR-ONEGZZNKSA-N -1 1 300.749 2.858 20 0 DFADMM O=c1cc(/C=C\c2cc(C(F)(F)F)ccc2F)nc2nc[n-]n21 ZINC000352034541 286275648 /nfs/dbraw/zinc/27/56/48/286275648.db2.gz DEXAJIOCBXBGIW-IWQZZHSRSA-N -1 1 324.237 2.746 20 0 DFADMM Cc1nc(S(=O)(=O)[N-]C[C@@H](C)c2ccccc2)sc1C ZINC000352067316 286284242 /nfs/dbraw/zinc/28/42/42/286284242.db2.gz IGGBVMRRCJSJQU-SNVBAGLBSA-N -1 1 310.444 2.842 20 0 DFADMM O=C(Nc1ccc2c(c1)COC2)c1cn[nH]c1-c1ccncc1 ZINC000352131947 286300378 /nfs/dbraw/zinc/30/03/78/286300378.db2.gz WUKMQNABZUSZDB-UHFFFAOYSA-N -1 1 306.325 2.754 20 0 DFADMM CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1ncc(C)cc1[O-] ZINC000428018804 296676453 /nfs/dbraw/zinc/67/64/53/296676453.db2.gz XPMAFRQXYFYETQ-ZBEGNZNMSA-N 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/nfs/dbraw/zinc/17/17/04/426171704.db2.gz QHOQGVLVCQBFNG-UHFFFAOYSA-N -1 1 315.760 2.666 20 0 DFADMM Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ncccc1[O-] ZINC000171236838 426178408 /nfs/dbraw/zinc/17/84/08/426178408.db2.gz HHJDRCLBEOCUDP-UHFFFAOYSA-N -1 1 322.368 2.520 20 0 DFADMM O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)c1ncccc1[O-] ZINC000171273803 426180854 /nfs/dbraw/zinc/18/08/54/426180854.db2.gz NGVQQFQBGNLQGF-YOEHRIQHSA-N -1 1 312.369 2.685 20 0 DFADMM COCc1cccc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)c1 ZINC000171333542 426184290 /nfs/dbraw/zinc/18/42/90/426184290.db2.gz ANAYMQGEELTLCE-UHFFFAOYSA-N -1 1 317.370 2.510 20 0 DFADMM O=C(Nc1ccc(CN2CCCC2=O)cc1)c1ccccc1[O-] ZINC000079230126 426190710 /nfs/dbraw/zinc/19/07/10/426190710.db2.gz UATWSTREYLJGPY-UHFFFAOYSA-N -1 1 310.353 2.767 20 0 DFADMM O=C(Nc1nc(-c2ccco2)n[nH]1)[C@H]1CSc2ccccc21 ZINC000118329613 426233129 /nfs/dbraw/zinc/23/31/29/426233129.db2.gz OCYUBJKGODHVLV-JTQLQIEISA-N -1 1 312.354 2.893 20 0 DFADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1CSc2ccccc21 ZINC000118318624 426233511 /nfs/dbraw/zinc/23/35/11/426233511.db2.gz LVUIBTVVJNPQMA-ZETCQYMHSA-N -1 1 314.292 2.652 20 0 DFADMM CC(C)C1([N-]S(=O)(=O)c2ccc(Br)o2)CC1 ZINC000339037121 268754773 /nfs/dbraw/zinc/75/47/73/268754773.db2.gz GHCVZMTXNROINB-UHFFFAOYSA-N -1 1 308.197 2.509 20 0 DFADMM CCOc1ncccc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000339118647 268757395 /nfs/dbraw/zinc/75/73/95/268757395.db2.gz FKUCTJIDXADKMG-UHFFFAOYSA-N -1 1 324.340 2.828 20 0 DFADMM CCO[C@@H](C)c1nc(CN(C)C(=O)c2ncccc2[O-])cs1 ZINC000174549158 426259873 /nfs/dbraw/zinc/25/98/73/426259873.db2.gz VBOVIRMWQVKILZ-JTQLQIEISA-N -1 1 321.402 2.613 20 0 DFADMM COc1cc(C(=O)N[C@H](C)C2CCOCC2)cc(Cl)c1[O-] ZINC000135179084 426209040 /nfs/dbraw/zinc/20/90/40/426209040.db2.gz VRAHJZVGHMRDJJ-SECBINFHSA-N -1 1 313.781 2.599 20 0 DFADMM O=C(NCc1nc(C(F)(F)F)cs1)c1cc(F)ccc1[O-] ZINC000080029939 426209307 /nfs/dbraw/zinc/20/93/07/426209307.db2.gz OUWRXCZQKYEUAI-UHFFFAOYSA-N -1 1 320.267 2.937 20 0 DFADMM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000175276209 426293129 /nfs/dbraw/zinc/29/31/29/426293129.db2.gz HFWRIPNXSPBZLY-GHMZBOCLSA-N -1 1 321.414 2.917 20 0 DFADMM Cn1ccnc1-c1cc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)[nH]n1 ZINC000119525246 426294301 /nfs/dbraw/zinc/29/43/01/426294301.db2.gz IZGVCINXJWSGQX-QWHCGFSZSA-N -1 1 313.405 2.965 20 0 DFADMM COC(=O)c1cc(C(C)(C)NCc2cccc([O-])c2Cl)no1 ZINC000339401499 268809294 /nfs/dbraw/zinc/80/92/94/268809294.db2.gz BBNJDWGDTFKPCZ-UHFFFAOYSA-N -1 1 324.764 2.845 20 0 DFADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@H](Oc2cccnc2)C1 ZINC000151531807 426301266 /nfs/dbraw/zinc/30/12/66/426301266.db2.gz RSNGRDFBLVCPAX-ZDUSSCGKSA-N -1 1 318.760 2.734 20 0 DFADMM CC[C@H](CNC(=O)c1cncc([O-])c1)Oc1cccc(C)c1 ZINC000175469005 426307392 /nfs/dbraw/zinc/30/73/92/426307392.db2.gz ZHPOISKZNQHBFW-OAHLLOKOSA-N -1 1 300.358 2.683 20 0 DFADMM CCCOc1ncccc1CNC(=O)c1c([O-])cccc1F ZINC000120904500 426316716 /nfs/dbraw/zinc/31/67/16/426316716.db2.gz PLHJFPOYXKKFIJ-UHFFFAOYSA-N -1 1 304.321 2.645 20 0 DFADMM O=C(NCc1ccnc(OC2CCC2)c1)c1cc(F)ccc1[O-] ZINC000089956549 426322627 /nfs/dbraw/zinc/32/26/27/426322627.db2.gz AICPWZIJLKPJAD-UHFFFAOYSA-N -1 1 316.332 2.788 20 0 DFADMM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1cncc([O-])c1 ZINC000175826840 426330423 /nfs/dbraw/zinc/33/04/23/426330423.db2.gz QINIXPAVFYLFTF-INIZCTEOSA-N -1 1 302.349 2.923 20 0 DFADMM O=C(c1ncccc1[O-])N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000153644654 426396975 /nfs/dbraw/zinc/39/69/75/426396975.db2.gz SCAFIOSRPJQOCN-OAHLLOKOSA-N -1 1 312.369 2.609 20 0 DFADMM O=C(c1ncccc1[O-])N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000153675972 426399015 /nfs/dbraw/zinc/39/90/15/426399015.db2.gz CBVSNEWSKNPYLE-CQSZACIVSA-N -1 1 300.333 2.774 20 0 DFADMM O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ncccc1[O-] ZINC000153677171 426399414 /nfs/dbraw/zinc/39/94/14/426399414.db2.gz WZHDGQBHDOHZDG-LSDHHAIUSA-N -1 1 316.332 2.576 20 0 DFADMM COc1cc(C(=O)N[C@@H]2COc3ccccc32)cc(Cl)c1[O-] ZINC000153692296 426399892 /nfs/dbraw/zinc/39/98/92/426399892.db2.gz IGHBILPXGKKURG-GFCCVEGCSA-N -1 1 319.744 2.918 20 0 DFADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)c1 ZINC000176671752 426403602 /nfs/dbraw/zinc/40/36/02/426403602.db2.gz LGTPKMREXJTEGH-UHFFFAOYSA-N -1 1 322.361 2.893 20 0 DFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[C@H](C)CC1 ZINC000176140702 426354491 /nfs/dbraw/zinc/35/44/91/426354491.db2.gz CEVZMQHRYOHLLI-NSHDSACASA-N -1 1 305.422 2.638 20 0 DFADMM Cc1cc(O)ccc1NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000154042348 426421792 /nfs/dbraw/zinc/42/17/92/426421792.db2.gz CCIQADGEABTPPZ-UHFFFAOYSA-N -1 1 315.373 2.642 20 0 DFADMM O=S(=O)([N-][C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1cccc(F)c1F ZINC000154240973 426432187 /nfs/dbraw/zinc/43/21/87/426432187.db2.gz VILHOVISAONLJI-SGIREYDYSA-N -1 1 321.348 2.581 20 0 DFADMM CCCCOCCC[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000340722851 269004664 /nfs/dbraw/zinc/00/46/64/269004664.db2.gz ZIGHLDCUVRMNQJ-UHFFFAOYSA-N -1 1 323.817 2.964 20 0 DFADMM CO[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000340973392 269030708 /nfs/dbraw/zinc/03/07/08/269030708.db2.gz PTVGPDOFXLJTFP-BXKDBHETSA-N -1 1 321.801 2.573 20 0 DFADMM CO[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000340973399 269031037 /nfs/dbraw/zinc/03/10/37/269031037.db2.gz PTVGPDOFXLJTFP-CABZTGNLSA-N -1 1 321.801 2.573 20 0 DFADMM NC(=O)C[C@H](NC(=O)c1ccc(Cl)cc1[O-])C1CCCCC1 ZINC000177282824 426463506 /nfs/dbraw/zinc/46/35/06/426463506.db2.gz ZMVSKRUBQLWITG-ZDUSSCGKSA-N -1 1 324.808 2.600 20 0 DFADMM CCOC(=O)CN(C(=O)c1cc2ccccc2cc1[O-])C1CC1 ZINC000098109738 426478543 /nfs/dbraw/zinc/47/85/43/426478543.db2.gz CXGATYLANAWOGX-UHFFFAOYSA-N -1 1 313.353 2.713 20 0 DFADMM O=C(c1ccc2[nH]nnc2c1)N1CCC(OC2CCCC2)CC1 ZINC000195461955 426528163 /nfs/dbraw/zinc/52/81/63/426528163.db2.gz CUWQIYMMUUQIHA-UHFFFAOYSA-N -1 1 314.389 2.522 20 0 DFADMM CCOc1cc(C(=O)NCCc2cccnc2)cc(Cl)c1[O-] ZINC000186447613 426528822 /nfs/dbraw/zinc/52/88/22/426528822.db2.gz XSQRMBKEOFUGMW-UHFFFAOYSA-N -1 1 320.776 2.812 20 0 DFADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1ccccc1C ZINC000272475966 426536835 /nfs/dbraw/zinc/53/68/35/426536835.db2.gz QDEXFVJYTCJKGI-UHFFFAOYSA-N -1 1 301.318 2.765 20 0 DFADMM CC(C)CC[C@H](O)CN(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000280284248 426540671 /nfs/dbraw/zinc/54/06/71/426540671.db2.gz SWBVSFFIALNXAZ-NSHDSACASA-N -1 1 309.435 2.626 20 0 DFADMM COC(=O)CC1(CNC(=O)c2ccc([O-])cc2F)CCCCC1 ZINC000186558075 426550497 /nfs/dbraw/zinc/55/04/97/426550497.db2.gz WEWUPYUJSLGJQZ-UHFFFAOYSA-N -1 1 323.364 2.775 20 0 DFADMM CO[C@@H]1CCC[C@H](CC(=O)Nc2nc(-c3ccco3)n[nH]2)C1 ZINC000280334920 426551586 /nfs/dbraw/zinc/55/15/86/426551586.db2.gz RKZQOJDHBNBPAA-WDEREUQCSA-N -1 1 304.350 2.599 20 0 DFADMM C[C@H](OCCCNC(=O)c1ncccc1[O-])c1ccccc1 ZINC000194656188 426489683 /nfs/dbraw/zinc/48/96/83/426489683.db2.gz VDMVEXWQRKYCAX-ZDUSSCGKSA-N -1 1 300.358 2.685 20 0 DFADMM COC1(C[N-]S(=O)(=O)c2cccc(F)c2F)CCCCC1 ZINC000186283589 426500443 /nfs/dbraw/zinc/50/04/43/426500443.db2.gz QESBEMKVJYSLOH-UHFFFAOYSA-N -1 1 319.373 2.592 20 0 DFADMM Cc1ccc(-c2cc(C(=O)Nc3cccc(C(=O)[O-])c3)[nH]n2)o1 ZINC000178177645 426581960 /nfs/dbraw/zinc/58/19/60/426581960.db2.gz DGDUDUJFCJBLQM-UHFFFAOYSA-N -1 1 311.297 2.929 20 0 DFADMM CC[C@@H](O)[C@H]1CCCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000265194924 426594722 /nfs/dbraw/zinc/59/47/22/426594722.db2.gz IXYFOAGVJWWYOA-VXGBXAGGSA-N -1 1 307.419 2.522 20 0 DFADMM CCOc1cc(C(=O)NC[C@](C)(O)C(C)C)cc(Cl)c1[O-] ZINC000186842179 426599226 /nfs/dbraw/zinc/59/92/26/426599226.db2.gz QKEBKCJHLXGTMJ-HNNXBMFYSA-N -1 1 315.797 2.581 20 0 DFADMM CO[C@]1(C)CCCN(Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000280595299 426611519 /nfs/dbraw/zinc/61/15/19/426611519.db2.gz URAIIDQMDUOVPP-OAHLLOKOSA-N -1 1 307.419 2.788 20 0 DFADMM CCC[C@H](NC(=O)c1ccc(-c2ccccc2)o1)c1nn[n-]n1 ZINC000273199082 426613840 /nfs/dbraw/zinc/61/38/40/426613840.db2.gz KVGIAQPIVNXXLL-LBPRGKRZSA-N -1 1 311.345 2.731 20 0 DFADMM CCC[C@@H](NCC(=O)Nc1ccc2ccccc2c1)C(=O)[O-] ZINC000273218310 426618970 /nfs/dbraw/zinc/61/89/70/426618970.db2.gz YMXWSSMLNWXTMK-OAHLLOKOSA-N -1 1 300.358 2.621 20 0 DFADMM CC[C@H](CCO)NC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000186592215 426559371 /nfs/dbraw/zinc/55/93/71/426559371.db2.gz JIXPSCWZLHJJPS-MRVPVSSYSA-N -1 1 313.810 2.682 20 0 DFADMM CN(C(=O)C(=O)c1ccc([O-])cc1)[C@H]1CCc2ccccc2C1 ZINC000280708019 426638366 /nfs/dbraw/zinc/63/83/66/426638366.db2.gz GACWCVAAERYCEN-INIZCTEOSA-N -1 1 309.365 2.591 20 0 DFADMM Cc1cc(C2CCN(C(=O)c3c(F)ccc([O-])c3F)CC2)[nH]n1 ZINC000289387308 426642396 /nfs/dbraw/zinc/64/23/96/426642396.db2.gz DHSRVWUHEJYRCJ-UHFFFAOYSA-N -1 1 321.327 2.722 20 0 DFADMM CCS[C@H]1CCCC[C@@H]1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000280888825 426678287 /nfs/dbraw/zinc/67/82/87/426678287.db2.gz GQQCDUYFSYDFMU-KBPBESRZSA-N -1 1 307.415 2.755 20 0 DFADMM C[C@H](CO[N-]C(=O)[C@@H](C)c1ccccc1)NC(=O)OC(C)(C)C ZINC000273555262 426685097 /nfs/dbraw/zinc/68/50/97/426685097.db2.gz VMZOHODWTNPHEO-OLZOCXBDSA-N -1 1 322.405 2.751 20 0 DFADMM O=C([O-])[C@@H]1CCN(Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000178898084 426716732 /nfs/dbraw/zinc/71/67/32/426716732.db2.gz ZFLWSHJVXTZFLD-LLVKDONJSA-N -1 1 306.362 2.856 20 0 DFADMM O=C([O-])[C@@H]1CCN(Cc2ncc(-c3ccccc3Cl)o2)C1 ZINC000178904730 426718737 /nfs/dbraw/zinc/71/87/37/426718737.db2.gz CMLFKLTZGTUFNT-SNVBAGLBSA-N -1 1 306.749 2.902 20 0 DFADMM C[S@](=O)C1(CNC(=O)c2cc3ccccc3cc2[O-])CCC1 ZINC000281842045 426776649 /nfs/dbraw/zinc/77/66/49/426776649.db2.gz QZMZFCSAMNNWLV-QFIPXVFZSA-N -1 1 317.410 2.576 20 0 DFADMM CC[C@@H](C)c1nnc([C@@H](C)NC(=O)c2c(F)ccc([O-])c2F)[nH]1 ZINC000290275315 426730276 /nfs/dbraw/zinc/73/02/76/426730276.db2.gz YLVRTXJXRQBYAJ-HTQZYQBOSA-N -1 1 324.331 2.793 20 0 DFADMM O=C([N-]c1nnc(C(F)(F)F)s1)c1cn2ccnc2s1 ZINC000188273783 426738142 /nfs/dbraw/zinc/73/81/42/426738142.db2.gz MHAALYBCMSMROO-UHFFFAOYSA-N -1 1 319.293 2.518 20 0 DFADMM O=S(=O)([N-]C[C@H]1CCC(F)(F)C1)c1cccc(F)c1F ZINC000281742748 426755824 /nfs/dbraw/zinc/75/58/24/426755824.db2.gz RRMNJVYMEIERFO-QMMMGPOBSA-N -1 1 311.300 2.679 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H](C)c1ccccc1 ZINC000266993103 426808719 /nfs/dbraw/zinc/80/87/19/426808719.db2.gz WCOXTZVOGWAFOD-SECBINFHSA-N -1 1 303.387 2.704 20 0 DFADMM COc1ccc2nc(NC([O-])=NO[C@@H]3CCCCO3)sc2c1 ZINC000274788433 426837476 /nfs/dbraw/zinc/83/74/76/426837476.db2.gz XNSHGQZRPFPQLW-GFCCVEGCSA-N -1 1 323.374 2.885 20 0 DFADMM COc1ccc2nc(NC(=O)[N-]O[C@@H]3CCCCO3)sc2c1 ZINC000274788433 426837481 /nfs/dbraw/zinc/83/74/81/426837481.db2.gz XNSHGQZRPFPQLW-GFCCVEGCSA-N -1 1 323.374 2.885 20 0 DFADMM COc1cc(C)c(S(=O)(=O)[N-]c2ncccc2F)cc1C ZINC000180257131 426849034 /nfs/dbraw/zinc/84/90/34/426849034.db2.gz WPSGSLYMMAKCIS-UHFFFAOYSA-N -1 1 310.350 2.647 20 0 DFADMM COC(=O)c1c[n-]c(SCc2nnc(-c3ccccc3)o2)n1 ZINC000189436426 426855032 /nfs/dbraw/zinc/85/50/32/426855032.db2.gz HRUDNHGILCEONI-UHFFFAOYSA-N -1 1 316.342 2.539 20 0 DFADMM CCn1nc(C)c(CN(C)Cc2ccc(C(=O)[O-])cc2)c1C ZINC000307953339 426915891 /nfs/dbraw/zinc/91/58/91/426915891.db2.gz JAVKUXPBTAPXTC-UHFFFAOYSA-N -1 1 301.390 2.850 20 0 DFADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccc2c(c1)OCCO2 ZINC000181124067 426919148 /nfs/dbraw/zinc/91/91/48/426919148.db2.gz KJKBXLYUZLMDOR-SNVBAGLBSA-N -1 1 317.316 2.794 20 0 DFADMM Cc1nc(-c2ccc(NC(=O)c3ccc([O-])cc3F)cc2)n[nH]1 ZINC000181195029 426923944 /nfs/dbraw/zinc/92/39/44/426923944.db2.gz ATCOQABFMZTKHM-UHFFFAOYSA-N -1 1 312.304 2.877 20 0 DFADMM CCC[C@@H](CCO)CNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180627351 426874376 /nfs/dbraw/zinc/87/43/76/426874376.db2.gz OKAZGJTXJNYVQA-JTQLQIEISA-N -1 1 319.323 2.940 20 0 DFADMM COC(=O)C[C@H]1CSCCN1Cc1cccc([O-])c1Cl ZINC000295253283 426878976 /nfs/dbraw/zinc/87/89/76/426878976.db2.gz GFQSMOCSNKBIBN-NSHDSACASA-N -1 1 315.822 2.526 20 0 DFADMM CCC1(CC)CCN(C(=O)c2c(C)[n-]c(=O)nc2SC)C1 ZINC000268034904 426894145 /nfs/dbraw/zinc/89/41/45/426894145.db2.gz ZIGJKSYQLBQHAE-UHFFFAOYSA-N -1 1 309.435 2.865 20 0 DFADMM COc1cnccc1[C@H](C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000189600159 426903106 /nfs/dbraw/zinc/90/31/06/426903106.db2.gz 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CC1(C)Cc2ccsc2CN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000457322339 429445200 /nfs/dbraw/zinc/44/52/00/429445200.db2.gz VVDHMNDJEKDDAL-UHFFFAOYSA-N -1 1 315.394 3.000 20 0 DFADMM Cc1ccc2nc([N-]S(=O)(=O)c3cccc(C)c3)[nH]c2c1 ZINC000427645874 429462585 /nfs/dbraw/zinc/46/25/85/429462585.db2.gz FURYDENCMSLODG-UHFFFAOYSA-N -1 1 301.371 2.981 20 0 DFADMM CCOc1cccc(CN[C@H](CC(=O)[O-])c2ccccc2)n1 ZINC000426768652 429415625 /nfs/dbraw/zinc/41/56/25/429415625.db2.gz AZAKBKCWMXPVAT-OAHLLOKOSA-N -1 1 300.358 2.786 20 0 DFADMM COc1ccc([C@@H](NCc2cnn(C(C)C)c2)C(=O)[O-])cc1F ZINC000426798014 429416709 /nfs/dbraw/zinc/41/67/09/429416709.db2.gz CXFYLTKJGFLCKD-OAHLLOKOSA-N -1 1 321.352 2.527 20 0 DFADMM COc1ccccc1C[C@@H](C)N(C)Cc1noc(C)c1C(=O)[O-] ZINC000520823721 429530003 /nfs/dbraw/zinc/53/00/03/429530003.db2.gz LUPZYNLSUWXJSR-LLVKDONJSA-N -1 1 318.373 2.753 20 0 DFADMM CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)c1ncccc1[O-] ZINC000428012322 429483313 /nfs/dbraw/zinc/48/33/13/429483313.db2.gz DJUZCRHOWQHGLX-ZUZCIYMTSA-N -1 1 320.776 2.947 20 0 DFADMM Cc1ccc2c([O-])c(C(=O)N3CC[C@@H](CC4CC4)C3)cnc2n1 ZINC000519864789 429495407 /nfs/dbraw/zinc/49/54/07/429495407.db2.gz SQVRQBWODPACKG-ZDUSSCGKSA-N -1 1 311.385 2.906 20 0 DFADMM Cc1ccc2c(=O)c(C(=O)N3CC[C@@H](CC4CC4)C3)c[n-]c2n1 ZINC000519864789 429495413 /nfs/dbraw/zinc/49/54/13/429495413.db2.gz SQVRQBWODPACKG-ZDUSSCGKSA-N -1 1 311.385 2.906 20 0 DFADMM Cc1ccc2c([O-])c(C(=O)N3CC[C@H](CC4CC4)C3)cnc2n1 ZINC000519864785 429496154 /nfs/dbraw/zinc/49/61/54/429496154.db2.gz SQVRQBWODPACKG-CYBMUJFWSA-N -1 1 311.385 2.906 20 0 DFADMM Cc1ccc2c(=O)c(C(=O)N3CC[C@H](CC4CC4)C3)c[n-]c2n1 ZINC000519864785 429496159 /nfs/dbraw/zinc/49/61/59/429496159.db2.gz SQVRQBWODPACKG-CYBMUJFWSA-N -1 1 311.385 2.906 20 0 DFADMM O=C([O-])C[C@@H]1CCCN1Cc1nnc(-c2ccccc2)s1 ZINC000520823431 429530722 /nfs/dbraw/zinc/53/07/22/429530722.db2.gz FPAVQTAZDIYLMH-LBPRGKRZSA-N -1 1 303.387 2.644 20 0 DFADMM CC(C)(C)c1ccc(CS(=O)(=O)c2n[n-]c(C3CC3)n2)cc1 ZINC000520357246 429510843 /nfs/dbraw/zinc/51/08/43/429510843.db2.gz IILHPZRUNOUFTJ-UHFFFAOYSA-N -1 1 319.430 2.954 20 0 DFADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1nc2c(s1)CCC2 ZINC000457932721 429550843 /nfs/dbraw/zinc/55/08/43/429550843.db2.gz SJRBJXUPBOLVDL-MRVPVSSYSA-N -1 1 306.362 2.968 20 0 DFADMM O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@@H]1CCCc2cn[nH]c21 ZINC000367022194 429560109 /nfs/dbraw/zinc/56/01/09/429560109.db2.gz SIJGREKGWILAKC-SNVBAGLBSA-N -1 1 314.370 2.898 20 0 DFADMM O=C(NC1(CO)CCSCC1)c1ccc2ccccc2c1[O-] ZINC000458055350 429572605 /nfs/dbraw/zinc/57/26/05/429572605.db2.gz JMWWVRFIGZYHTE-UHFFFAOYSA-N -1 1 317.410 2.533 20 0 DFADMM CC1(C)CCCC[C@H]1CC(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000367123732 429583709 /nfs/dbraw/zinc/58/37/09/429583709.db2.gz WRQAHILIALWWSU-OLZOCXBDSA-N -1 1 305.426 2.512 20 0 DFADMM CCOc1cc(C(=O)N(CC)[C@H]2CCOC2)cc(Cl)c1[O-] ZINC000428575172 429535933 /nfs/dbraw/zinc/53/59/33/429535933.db2.gz PCXZYCDSPCVKGM-NSHDSACASA-N -1 1 313.781 2.695 20 0 DFADMM C[C@@H](CN(C)C(=O)c1cc(F)ccc1[O-])C(=O)OC(C)(C)C ZINC000458401976 429633929 /nfs/dbraw/zinc/63/39/29/429633929.db2.gz VIHOLIDNGFKQAB-JTQLQIEISA-N -1 1 311.353 2.581 20 0 DFADMM CCC[C@H](CC1CCCCC1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000430311632 429675797 /nfs/dbraw/zinc/67/57/97/429675797.db2.gz JWHPKTXKHIOQOO-CYBMUJFWSA-N -1 1 305.426 2.692 20 0 DFADMM C[C@H]1C[C@H]1CC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000450700050 429682003 /nfs/dbraw/zinc/68/20/03/429682003.db2.gz DELJGANTKFNRTO-CBAPKCEASA-N -1 1 306.753 2.815 20 0 DFADMM C[C@H]1C[C@H]1CC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000450700050 429682006 /nfs/dbraw/zinc/68/20/06/429682006.db2.gz DELJGANTKFNRTO-CBAPKCEASA-N -1 1 306.753 2.815 20 0 DFADMM Cc1cc(C)c(NC(=O)[C@@H](C)N2CCC(C(=O)[O-])CC2)c(C)c1 ZINC000430672333 429709571 /nfs/dbraw/zinc/70/95/71/429709571.db2.gz STSSBBPCGMVTIW-CQSZACIVSA-N -1 1 318.417 2.735 20 0 DFADMM C[C@@H]1CC[C@@](C)(/C=C/C(=O)NC(C)(C)c2nn[n-]n2)C1(C)C ZINC000493315271 429735919 /nfs/dbraw/zinc/73/59/19/429735919.db2.gz FJJVNUKUOWYLHO-YUBODXAXSA-N -1 1 305.426 2.570 20 0 DFADMM COCc1ccccc1S(=O)(=O)[N-]c1cccc2c1CCO2 ZINC000527277425 429739296 /nfs/dbraw/zinc/73/92/96/429739296.db2.gz XBDFLLRSAHBTOI-UHFFFAOYSA-N -1 1 319.382 2.569 20 0 DFADMM Cc1csc(S(=O)(=O)[N-]c2c(C)n[nH]c2C(F)F)c1 ZINC000450986878 429744783 /nfs/dbraw/zinc/74/47/83/429744783.db2.gz SEHRQIYZLJFZSW-UHFFFAOYSA-N -1 1 307.347 2.826 20 0 DFADMM O=C(C=CC1CCOCC1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000493377663 429750265 /nfs/dbraw/zinc/75/02/65/429750265.db2.gz BHSLFDPTHQTWTM-BHQIHCQQSA-N -1 1 313.357 2.704 20 0 DFADMM CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(F)F ZINC000451084381 429765013 /nfs/dbraw/zinc/76/50/13/429765013.db2.gz RDAWTMBFKHUKKF-QMMMGPOBSA-N -1 1 301.717 2.801 20 0 DFADMM CC(C)c1ncc2c(n1)CCN(C(=O)c1ccc([O-])c(F)c1)C2 ZINC000527625420 429767851 /nfs/dbraw/zinc/76/78/51/429767851.db2.gz QUKDAMAKHPUQMK-UHFFFAOYSA-N -1 1 315.348 2.643 20 0 DFADMM CN(C)c1ccnc(NC(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000432409318 429822359 /nfs/dbraw/zinc/82/23/59/429822359.db2.gz FUPVLYRKDZUYFG-UHFFFAOYSA-N -1 1 307.741 2.546 20 0 DFADMM CC[C@@H]([N-]S(=O)(=O)CCC1Cc2ccccc2C1)C(F)F ZINC000451627172 429863979 /nfs/dbraw/zinc/86/39/79/429863979.db2.gz XBRSMLYSHLHCKV-CQSZACIVSA-N -1 1 317.401 2.755 20 0 DFADMM C[C@]1(C[N-]S(=O)(=O)c2sccc2Cl)CCCS1 ZINC000451311680 429808442 /nfs/dbraw/zinc/80/84/42/429808442.db2.gz FFTXZKKWNPEKBU-SNVBAGLBSA-N -1 1 311.881 2.966 20 0 DFADMM O=S(=O)([N-]CC[C@H]1CCCOC1)c1c(F)cccc1Cl ZINC000528450800 429889933 /nfs/dbraw/zinc/88/99/33/429889933.db2.gz PZHBWFBGPZHKKN-SNVBAGLBSA-N -1 1 321.801 2.574 20 0 DFADMM CO[C@H](CN1CCCC[C@@H]1c1n[nH]c(=O)[n-]1)c1ccc(F)cc1 ZINC000528504395 429894835 /nfs/dbraw/zinc/89/48/35/429894835.db2.gz MVYDXJUDESQSCC-ZIAGYGMSSA-N -1 1 320.368 2.564 20 0 DFADMM CC(C)CN(Cc1nc(=O)n(C)[n-]1)c1ccc(F)c(Cl)c1 ZINC000528613437 429901651 /nfs/dbraw/zinc/90/16/51/429901651.db2.gz PWHVNLMEDKICEH-UHFFFAOYSA-N -1 1 312.776 2.564 20 0 DFADMM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)[N-]c1c[nH]cn1 ZINC000573498267 429957731 /nfs/dbraw/zinc/95/77/31/429957731.db2.gz FAASEYZNTJKKQP-UHFFFAOYSA-N -1 1 306.174 2.658 20 0 DFADMM CCn1c(C[N@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)nc2cc(F)ccc21 ZINC000573563907 429961521 /nfs/dbraw/zinc/96/15/21/429961521.db2.gz KBEOFPDFEKKKLS-RYUDHWBXSA-N -1 1 319.380 2.880 20 0 DFADMM CCn1c(CN2C[C@@H](C(=O)[O-])CC[C@@H]2C)nc2cc(F)ccc21 ZINC000573563907 429961526 /nfs/dbraw/zinc/96/15/26/429961526.db2.gz KBEOFPDFEKKKLS-RYUDHWBXSA-N -1 1 319.380 2.880 20 0 DFADMM CCCCOCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000369448387 429947352 /nfs/dbraw/zinc/94/73/52/429947352.db2.gz UGVIWIYLGJICIE-UHFFFAOYSA-N -1 1 319.401 2.630 20 0 DFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000529578873 430033919 /nfs/dbraw/zinc/03/39/19/430033919.db2.gz FJONTJJYLWRMKA-FRRDWIJNSA-N -1 1 317.433 2.954 20 0 DFADMM Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(Cc3nccs3)CC2)n1 ZINC000639986389 430045439 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C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1cccnc1C(F)(F)F ZINC000530209819 430104614 /nfs/dbraw/zinc/10/46/14/430104614.db2.gz DQEIZTHUXQIEIC-ONGXEEELSA-N -1 1 302.296 2.786 20 0 DFADMM CCc1c(C)[n-]n(-c2cc(CC)nc(-c3ccccn3)n2)c1=O ZINC000634604185 430050875 /nfs/dbraw/zinc/05/08/75/430050875.db2.gz XPKAQJSIOPSTLB-ZDUSSCGKSA-N -1 1 309.373 2.850 20 0 DFADMM O=C(N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12)c1cncc([O-])c1 ZINC000529684948 430050960 /nfs/dbraw/zinc/05/09/60/430050960.db2.gz MFGVTRUXQPAHTI-RRFJBIMHSA-N -1 1 300.745 2.509 20 0 DFADMM CCc1c(-c2cccc(C)c2)[n-]n(-c2nc(C)cc(OC)n2)c1=O ZINC000634607538 430051211 /nfs/dbraw/zinc/05/12/11/430051211.db2.gz ARKFSCUNIXONRW-AWEZNQCLSA-N -1 1 324.384 2.879 20 0 DFADMM COc1cc(C(=O)[O-])ccc1N1N=C2CC[C@H](C)C[C@@H]2C1=O ZINC000634612288 430052254 /nfs/dbraw/zinc/05/22/54/430052254.db2.gz UFBVPXJBOGKHCH-ONGXEEELSA-N -1 1 302.330 2.532 20 0 DFADMM COc1cc(C(=O)[O-])ccc1-n1[nH]c2c(c1=O)C[C@@H](C)CC2 ZINC000634612288 430052259 /nfs/dbraw/zinc/05/22/59/430052259.db2.gz UFBVPXJBOGKHCH-ONGXEEELSA-N -1 1 302.330 2.532 20 0 DFADMM COc1ccc(-c2[n-]n([C@@H](C)C(F)(F)F)c(=O)c2C)cc1 ZINC000634631081 430059858 /nfs/dbraw/zinc/05/98/58/430059858.db2.gz KMPPCEVAKIRIQZ-IUCAKERBSA-N -1 1 300.280 2.828 20 0 DFADMM Cn1[n-]c(CN2CC[C@@H](c3ccccc3)c3ccccc32)nc1=O ZINC000640035434 430065423 /nfs/dbraw/zinc/06/54/23/430065423.db2.gz FMQSTTPWGBNANW-HNNXBMFYSA-N -1 1 320.396 2.651 20 0 DFADMM O=C([O-])C12CCC(CC1)N2Cc1coc(-c2cccs2)n1 ZINC000634696674 430083117 /nfs/dbraw/zinc/08/31/17/430083117.db2.gz HWUCGFHENKLPHU-UHFFFAOYSA-N -1 1 304.371 2.985 20 0 DFADMM CCn1c(CN2C3CCC2(C(=O)[O-])CC3)nc2c1cccc2F ZINC000634696608 430083741 /nfs/dbraw/zinc/08/37/41/430083741.db2.gz FHYLNZLWMZPMBA-UHFFFAOYSA-N -1 1 317.364 2.777 20 0 DFADMM CCCn1ncc([N-]c2nn3cc(C)nc3s2)c1C1CC1 ZINC000562703419 430170165 /nfs/dbraw/zinc/17/01/65/430170165.db2.gz ZEFZBIJRCKGHKZ-UHFFFAOYSA-N -1 1 302.407 3.327 20 0 DFADMM CCCCN1Cc2cccc(NC(=O)C3CC(C(=O)[O-])C3)c2C1 ZINC000634821372 430123287 /nfs/dbraw/zinc/12/32/87/430123287.db2.gz VSVDCHPGGIRFCK-UHFFFAOYSA-N -1 1 316.401 2.852 20 0 DFADMM CC1(C)[C@H]([N-]S(=O)(=O)c2cc3ccccc3o2)[C@@H]2CCO[C@H]21 ZINC000531010493 430130231 /nfs/dbraw/zinc/13/02/31/430130231.db2.gz XMXGISNZRUNUOG-NILFDRSVSA-N -1 1 321.398 2.525 20 0 DFADMM Cc1ccc(-c2n[n-]c(S(=O)(=O)CC3CCCC3)n2)cc1 ZINC000562496693 430139329 /nfs/dbraw/zinc/13/93/29/430139329.db2.gz NBMCBPMSRQEBIN-UHFFFAOYSA-N -1 1 305.403 2.744 20 0 DFADMM Cc1ccc(-c2nc(S(=O)(=O)CC3CCCC3)n[n-]2)cc1 ZINC000562496693 430139331 /nfs/dbraw/zinc/13/93/31/430139331.db2.gz NBMCBPMSRQEBIN-UHFFFAOYSA-N -1 1 305.403 2.744 20 0 DFADMM O=C([O-])c1cccc(CN2CCN(c3cccc(F)c3)CC2)c1 ZINC000635022394 430199745 /nfs/dbraw/zinc/19/97/45/430199745.db2.gz YKDYHFMMAUUHGE-UHFFFAOYSA-N -1 1 314.360 2.846 20 0 DFADMM O=C([O-])C[C@H]1CCCN1Cc1csc(Nc2ccccc2)n1 ZINC000565485332 430214405 /nfs/dbraw/zinc/21/44/05/430214405.db2.gz CHBAVPTWIMENDA-CQSZACIVSA-N -1 1 317.414 3.326 20 0 DFADMM Cn1nc(C(=O)[O-])cc1CN[C@H]1CCCc2c(F)cc(F)cc21 ZINC000635312059 430252183 /nfs/dbraw/zinc/25/21/83/430252183.db2.gz WVUVKSIJKSLTON-AWEZNQCLSA-N -1 1 321.327 2.564 20 0 DFADMM CCCN(Cc1cc(C(=O)[O-])nn1C)Cc1ccc(OC)cc1 ZINC000635315141 430253269 /nfs/dbraw/zinc/25/32/69/430253269.db2.gz QVVAACYVOKFCGZ-UHFFFAOYSA-N -1 1 317.389 2.539 20 0 DFADMM CSc1ccccc1[C@@H](C)NCc1cc(C(=O)[O-])nn1C ZINC000635313858 430253475 /nfs/dbraw/zinc/25/34/75/430253475.db2.gz PBMSWFFBNUTCCP-SNVBAGLBSA-N -1 1 305.403 2.691 20 0 DFADMM CCN(Cc1cc(C(=O)[O-])co1)C[C@H]1COc2ccccc2O1 ZINC000566359357 430253533 /nfs/dbraw/zinc/25/35/33/430253533.db2.gz RJWKMDDDQRVVPP-AWEZNQCLSA-N -1 1 317.341 2.640 20 0 DFADMM Cn1nc(C(=O)[O-])cc1CNCc1ccc(C(C)(F)F)cc1 ZINC000635313451 430253559 /nfs/dbraw/zinc/25/35/59/430253559.db2.gz WQSDTVYAJWCWDX-UHFFFAOYSA-N -1 1 309.316 2.520 20 0 DFADMM COc1ccc(-c2nc(CN(C)C[C@@H](C)C(=O)[O-])cs2)cc1 ZINC000566359737 430254485 /nfs/dbraw/zinc/25/44/85/430254485.db2.gz WMFVLZXRRIOBOH-LLVKDONJSA-N -1 1 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ZINC000338150559 526135262 /nfs/dbraw/zinc/13/52/62/526135262.db2.gz KOOJQJNQYVQOBT-UHFFFAOYSA-N -1 1 313.382 2.678 20 0 DFADMM Cc1ccc2c(n1)[n-]cc(C(=O)NCCc1ccsc1)c2=O ZINC000338150559 526135268 /nfs/dbraw/zinc/13/52/68/526135268.db2.gz KOOJQJNQYVQOBT-UHFFFAOYSA-N -1 1 313.382 2.678 20 0 DFADMM CC(C)(C)OC(=O)[C@@]1(C)CCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000331309948 526513786 /nfs/dbraw/zinc/51/37/86/526513786.db2.gz BQEDREOTOLZHBD-KRWDZBQOSA-N -1 1 323.364 2.725 20 0 DFADMM CCC[C@H]1CCC[C@@H]1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000331941000 528377402 /nfs/dbraw/zinc/37/74/02/528377402.db2.gz PJRLSJXMKWHKSG-AAEUAGOBSA-N -1 1 307.394 2.698 20 0 DFADMM CCOC(=O)C(C)(C)O[N-]C(=O)Cc1cccc2ccccc21 ZINC000295730422 528561338 /nfs/dbraw/zinc/56/13/38/528561338.db2.gz RLDUCOCPZYLBQT-UHFFFAOYSA-N -1 1 315.369 2.772 20 0 DFADMM CC[C@H]1C[C@H](C)CN1C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000330936412 529324903 /nfs/dbraw/zinc/32/49/03/529324903.db2.gz RWJMUAYOIWACFP-JQWIXIFHSA-N -1 1 323.462 2.792 20 0 DFADMM CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)C1(C)C ZINC000361979409 536798686 /nfs/dbraw/zinc/79/86/86/536798686.db2.gz WATVYHCWMOCVGN-GHMZBOCLSA-N -1 1 321.801 2.571 20 0 DFADMM COc1cc2c(cc1C(=O)Nc1c([O-])cccc1F)OCO2 ZINC000680594449 545515954 /nfs/dbraw/zinc/51/59/54/545515954.db2.gz OVYWUGPDVHIFKK-UHFFFAOYSA-N -1 1 305.261 2.521 20 0 DFADMM Cc1cnc(C(=O)N2C[C@@H](C)OC[C@H]2c2ccccc2)c([O-])c1 ZINC000680950771 545569390 /nfs/dbraw/zinc/56/93/90/545569390.db2.gz XIOLVIABLOTOSZ-HIFRSBDPSA-N -1 1 312.369 2.698 20 0 DFADMM O=C(Nc1ccc2c(c1)CCC(=O)N2)c1ccc([O-])c(F)c1 ZINC000681019197 545582796 /nfs/dbraw/zinc/58/27/96/545582796.db2.gz SPUWGJHOUXMGAE-UHFFFAOYSA-N -1 1 300.289 2.668 20 0 DFADMM CC(C)Oc1ncccc1CNC(=O)c1ccc([O-])c(F)c1 ZINC000681019609 545584097 /nfs/dbraw/zinc/58/40/97/545584097.db2.gz MABHMPDADCKFIO-UHFFFAOYSA-N -1 1 304.321 2.644 20 0 DFADMM COc1ccc(CN(C)C(=O)c2ccc([O-])c(F)c2)cc1O ZINC000681056600 545590362 /nfs/dbraw/zinc/59/03/62/545590362.db2.gz QXNUEEKNBIXMJR-UHFFFAOYSA-N -1 1 305.305 2.518 20 0 DFADMM O=C(c1ccc([O-])c(F)c1)N1CCO[C@@H](c2cccs2)C1 ZINC000681056977 545590755 /nfs/dbraw/zinc/59/07/55/545590755.db2.gz YKQCJPLEYOEDLA-CYBMUJFWSA-N -1 1 307.346 2.807 20 0 DFADMM C[C@H]1Cc2ccccc2N1CCNC(=O)c1ccc([O-])c(F)c1 ZINC000681032738 545585905 /nfs/dbraw/zinc/58/59/05/545585905.db2.gz MJBKBRCVMKXVLR-LBPRGKRZSA-N -1 1 314.360 2.712 20 0 DFADMM Cc1ccc(Cn2nccc2NC(=O)c2ccc([O-])c(F)c2)o1 ZINC000681045160 545588077 /nfs/dbraw/zinc/58/80/77/545588077.db2.gz VHGYYOGOOYCJQO-UHFFFAOYSA-N -1 1 315.304 2.930 20 0 DFADMM Cc1nn(C)cc1[C@@H]1CCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000681055286 545589969 /nfs/dbraw/zinc/58/99/69/545589969.db2.gz CXNWSVCYQQEHDR-AWEZNQCLSA-N -1 1 303.337 2.551 20 0 DFADMM Cn1cc([C@H]2CCCN(C(=O)c3cc(Cl)ccc3[O-])C2)cn1 ZINC000681378954 545634826 /nfs/dbraw/zinc/63/48/26/545634826.db2.gz DGQZVURHONCCKS-NSHDSACASA-N -1 1 319.792 2.799 20 0 DFADMM Cc1cnc(C(=O)N2C[C@@H](C(F)(F)F)CC[C@@H]2C)c([O-])c1 ZINC000681743499 545713054 /nfs/dbraw/zinc/71/30/54/545713054.db2.gz PDRIWLBIZFAAGH-UWVGGRQHSA-N -1 1 302.296 2.899 20 0 DFADMM COc1cc(C(=O)NC[C@@H](C)c2ccncc2)cc(Cl)c1[O-] ZINC000682362666 545829729 /nfs/dbraw/zinc/82/97/29/545829729.db2.gz NWJYTBHYTHGXND-SNVBAGLBSA-N -1 1 320.776 2.983 20 0 DFADMM COc1cc(C(=O)N2CCc3ncccc3C2)cc(Cl)c1[O-] ZINC000682361610 545829811 /nfs/dbraw/zinc/82/98/11/545829811.db2.gz DLZBBBNYKQRLBF-UHFFFAOYSA-N -1 1 318.760 2.648 20 0 DFADMM COCCc1ccccc1[N-]S(=O)(=O)c1cccc(OC)c1 ZINC000682415433 545842006 /nfs/dbraw/zinc/84/20/06/545842006.db2.gz AECVMQPAQUINJO-UHFFFAOYSA-N -1 1 321.398 2.685 20 0 DFADMM CCc1c(NC(=O)C2=C([O-])C(C)N=N2)cnn1C(CC)CC ZINC000682985258 545954283 /nfs/dbraw/zinc/95/42/83/545954283.db2.gz OQIFLWKWWPMPBQ-UHFFFAOYSA-N -1 1 305.382 2.796 20 0 DFADMM Cn1cc(C(=O)Nc2c([O-])cccc2F)c2ccccc2c1=O ZINC000683249396 545995780 /nfs/dbraw/zinc/99/57/80/545995780.db2.gz ZAHLSZCWLDTNJK-UHFFFAOYSA-N -1 1 312.300 2.636 20 0 DFADMM CC(=O)Nc1ccc(C(=O)Nc2c([O-])cccc2F)cc1F ZINC000683415082 546029430 /nfs/dbraw/zinc/02/94/30/546029430.db2.gz BBTKJLRIRCBURW-UHFFFAOYSA-N -1 1 306.268 2.881 20 0 DFADMM CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1ccc([O-])c(F)c1 ZINC000683648023 546072302 /nfs/dbraw/zinc/07/23/02/546072302.db2.gz OUGQLMAWGQFECT-UHFFFAOYSA-N -1 1 305.353 2.824 20 0 DFADMM COc1nnc([N-]C(=O)c2ccc(F)c(Cl)c2F)s1 ZINC000683904119 546117894 /nfs/dbraw/zinc/11/78/94/546117894.db2.gz JJSFHKOMIPZRCF-UHFFFAOYSA-N -1 1 305.693 2.731 20 0 DFADMM C[C@H](NC(=O)c1ccc(C(F)(F)F)c([O-])c1)[C@@H]1CCCO1 ZINC000684871722 546295820 /nfs/dbraw/zinc/29/58/20/546295820.db2.gz PGOJADDYOWWNGI-UFBFGSQYSA-N -1 1 303.280 2.708 20 0 DFADMM CC(C)(C)C[C@H](O)CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684876731 546296546 /nfs/dbraw/zinc/29/65/46/546296546.db2.gz XFLKUJDCGIMFBP-JTQLQIEISA-N -1 1 319.323 2.938 20 0 DFADMM CC[C@@H](C)[C@H](O)CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684877457 546296889 /nfs/dbraw/zinc/29/68/89/546296889.db2.gz QDZVOSBQJYPNQI-PRHODGIISA-N -1 1 305.296 2.548 20 0 DFADMM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]c1cnc[nH]1 ZINC000685913999 546408563 /nfs/dbraw/zinc/40/85/63/546408563.db2.gz VTRNFHZKSOVRFO-UHFFFAOYSA-N -1 1 311.750 2.919 20 0 DFADMM C[C@@H]1CCCC[C@@H]1Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736276574 598934132 /nfs/dbraw/zinc/93/41/32/598934132.db2.gz ZRERSJLRHGJQPD-PWSUYJOCSA-N -1 1 309.377 2.801 20 0 DFADMM C[C@@H]1CCCC[C@@H]1Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736276574 598934134 /nfs/dbraw/zinc/93/41/34/598934134.db2.gz ZRERSJLRHGJQPD-PWSUYJOCSA-N -1 1 309.377 2.801 20 0 DFADMM C[C@@H]1CCCC[C@H]1Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736276575 598934297 /nfs/dbraw/zinc/93/42/97/598934297.db2.gz ZRERSJLRHGJQPD-ZYHUDNBSSA-N -1 1 309.377 2.801 20 0 DFADMM C[C@@H]1CCCC[C@H]1Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736276575 598934299 /nfs/dbraw/zinc/93/42/99/598934299.db2.gz ZRERSJLRHGJQPD-ZYHUDNBSSA-N -1 1 309.377 2.801 20 0 DFADMM CC(C)CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000735817542 598988260 /nfs/dbraw/zinc/98/82/60/598988260.db2.gz BVYSREUFDZFWPO-UHFFFAOYSA-N -1 1 322.372 2.565 20 0 DFADMM CC(C)CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000735817542 598988261 /nfs/dbraw/zinc/98/82/61/598988261.db2.gz BVYSREUFDZFWPO-UHFFFAOYSA-N -1 1 322.372 2.565 20 0 DFADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(C)c1C ZINC000736506311 598989157 /nfs/dbraw/zinc/98/91/57/598989157.db2.gz UBQSELPSMHEVIE-UHFFFAOYSA-N -1 1 322.372 2.545 20 0 DFADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(C)c1C ZINC000736506311 598989158 /nfs/dbraw/zinc/98/91/58/598989158.db2.gz UBQSELPSMHEVIE-UHFFFAOYSA-N -1 1 322.372 2.545 20 0 DFADMM O=C(O[C@@H]1CCc2ccccc21)c1sccc1-c1nn[n-]n1 ZINC000738220661 599027251 /nfs/dbraw/zinc/02/72/51/599027251.db2.gz SHTISRPXPRQOSB-GFCCVEGCSA-N -1 1 312.354 2.773 20 0 DFADMM COc1cccc(F)c1[C@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000821872729 599055203 /nfs/dbraw/zinc/05/52/03/599055203.db2.gz OMGHFGQRHVNALX-VIFPVBQESA-N -1 1 314.324 2.583 20 0 DFADMM COc1cccc(F)c1[C@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000821872729 599055206 /nfs/dbraw/zinc/05/52/06/599055206.db2.gz OMGHFGQRHVNALX-VIFPVBQESA-N -1 1 314.324 2.583 20 0 DFADMM CS[C@@H]1CC[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000821949156 599073221 /nfs/dbraw/zinc/07/32/21/599073221.db2.gz FRMMYPPFKXHZGL-HTQZYQBOSA-N -1 1 310.814 2.611 20 0 DFADMM CS[C@@H]1CC[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000821949156 599073224 /nfs/dbraw/zinc/07/32/24/599073224.db2.gz FRMMYPPFKXHZGL-HTQZYQBOSA-N -1 1 310.814 2.611 20 0 DFADMM C[C@@H](CNc1cccc(-c2nnn[n-]2)n1)c1ccc(F)cc1F ZINC000820280582 599097319 /nfs/dbraw/zinc/09/73/19/599097319.db2.gz JPEAVSARZLYUOG-VIFPVBQESA-N -1 1 316.315 2.756 20 0 DFADMM C[C@@H](CNc1cccc(-c2nn[n-]n2)n1)c1ccc(F)cc1F ZINC000820280582 599097322 /nfs/dbraw/zinc/09/73/22/599097322.db2.gz JPEAVSARZLYUOG-VIFPVBQESA-N -1 1 316.315 2.756 20 0 DFADMM O=c1c(-c2nn[n-]n2)cn(CC2CCC2)c2ccc(Cl)cc12 ZINC000823657650 599126806 /nfs/dbraw/zinc/12/68/06/599126806.db2.gz SXEOQANHBYKLMP-UHFFFAOYSA-N -1 1 315.764 2.635 20 0 DFADMM C[C@@H]1C[C@@H](C)CN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000736226970 599252583 /nfs/dbraw/zinc/25/25/83/599252583.db2.gz KAFZLGCFYDCADR-VXGBXAGGSA-N -1 1 308.389 2.897 20 0 DFADMM C[C@@H]1C[C@@H](C)CN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000736226970 599252586 /nfs/dbraw/zinc/25/25/86/599252586.db2.gz KAFZLGCFYDCADR-VXGBXAGGSA-N -1 1 308.389 2.897 20 0 DFADMM CC(C)OCCCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820141853 607302784 /nfs/dbraw/zinc/30/27/84/607302784.db2.gz BHVVVSHFAKFGEL-UHFFFAOYSA-N -1 1 312.377 2.642 20 0 DFADMM CC(C)OCCCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820141853 607302785 /nfs/dbraw/zinc/30/27/85/607302785.db2.gz BHVVVSHFAKFGEL-UHFFFAOYSA-N -1 1 312.377 2.642 20 0 DFADMM COc1c(F)cc(F)cc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000821698467 607315797 /nfs/dbraw/zinc/31/57/97/607315797.db2.gz LPAIHCRDUUUURH-UHFFFAOYSA-N -1 1 323.328 2.827 20 0 DFADMM Cc1cccc(-c2nnc([C@@H](C)N3CC[C@H](C(=O)[O-])C3)o2)c1 ZINC000818936084 597530508 /nfs/dbraw/zinc/53/05/08/597530508.db2.gz OBWAPOGUUPQWJE-YPMHNXCESA-N -1 1 301.346 2.513 20 0 DFADMM O=C([O-])C1CCN(Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000821511959 598120051 /nfs/dbraw/zinc/12/00/51/598120051.db2.gz WWDBXKXZLSRQER-UHFFFAOYSA-N -1 1 321.327 2.652 20 0 DFADMM CCOc1cc(CN2CC[C@H](C(=O)[O-])C2)cc(Cl)c1OC ZINC000820383003 598128359 /nfs/dbraw/zinc/12/83/59/598128359.db2.gz NDBPEPNNYQRZDP-NSHDSACASA-N -1 1 313.781 2.654 20 0 DFADMM CN(Cc1ccc(C(C)(C)C)cc1)c1nccnc1-c1nnn[n-]1 ZINC000736817000 598336631 /nfs/dbraw/zinc/33/66/31/598336631.db2.gz SUQDXDPKTTXNRX-UHFFFAOYSA-N -1 1 323.404 2.591 20 0 DFADMM CN(Cc1ccc(C(C)(C)C)cc1)c1nccnc1-c1nn[n-]n1 ZINC000736817000 598336633 /nfs/dbraw/zinc/33/66/33/598336633.db2.gz SUQDXDPKTTXNRX-UHFFFAOYSA-N -1 1 323.404 2.591 20 0 DFADMM CCCCOCCCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736461565 598570867 /nfs/dbraw/zinc/57/08/67/598570867.db2.gz WPGHYWSCFYQUAU-UHFFFAOYSA-N -1 1 310.789 2.534 20 0 DFADMM CCCCOCCCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736461565 598570868 /nfs/dbraw/zinc/57/08/68/598570868.db2.gz WPGHYWSCFYQUAU-UHFFFAOYSA-N -1 1 310.789 2.534 20 0 DFADMM Clc1ccc(N2CC[C@H](c3ccco3)C2)nc1-c1nnn[n-]1 ZINC000737574661 598675508 /nfs/dbraw/zinc/67/55/08/598675508.db2.gz JAJFTCNSBVKNMQ-VIFPVBQESA-N -1 1 316.752 2.502 20 0 DFADMM Clc1ccc(N2CC[C@H](c3ccco3)C2)nc1-c1nn[n-]n1 ZINC000737574661 598675509 /nfs/dbraw/zinc/67/55/09/598675509.db2.gz JAJFTCNSBVKNMQ-VIFPVBQESA-N -1 1 316.752 2.502 20 0 DFADMM Clc1nsc(N2CC[C@@H](c3ccco3)C2)c1-c1nnn[n-]1 ZINC000737583394 598677320 /nfs/dbraw/zinc/67/73/20/598677320.db2.gz KIOZVDPJYIZBIK-SSDOTTSWSA-N -1 1 322.781 2.564 20 0 DFADMM Clc1nsc(N2CC[C@@H](c3ccco3)C2)c1-c1nn[n-]n1 ZINC000737583394 598677321 /nfs/dbraw/zinc/67/73/21/598677321.db2.gz KIOZVDPJYIZBIK-SSDOTTSWSA-N -1 1 322.781 2.564 20 0 DFADMM O=C1Nc2cc(Cl)ccc2C1=Cc1ccc(-c2nnn[n-]2)o1 ZINC000823548114 599378806 /nfs/dbraw/zinc/37/88/06/599378806.db2.gz UBCYSCXMXLABCJ-POHAHGRESA-N -1 1 313.704 2.606 20 0 DFADMM O=C1Nc2cc(Cl)ccc2C1=Cc1ccc(-c2nn[n-]n2)o1 ZINC000823548114 599378810 /nfs/dbraw/zinc/37/88/10/599378810.db2.gz UBCYSCXMXLABCJ-POHAHGRESA-N -1 1 313.704 2.606 20 0 DFADMM Clc1ccc(CCNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000737577138 599393785 /nfs/dbraw/zinc/39/37/85/599393785.db2.gz UAVSEMHNGYLHKZ-UHFFFAOYSA-N -1 1 300.753 2.570 20 0 DFADMM Clc1ccc(CCNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000737577138 599393787 /nfs/dbraw/zinc/39/37/87/599393787.db2.gz UAVSEMHNGYLHKZ-UHFFFAOYSA-N -1 1 300.753 2.570 20 0 DFADMM CCOc1ccccc1[C@@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000736653955 599419579 /nfs/dbraw/zinc/41/95/79/599419579.db2.gz GUFKJOFEXIHBCE-LLVKDONJSA-N -1 1 310.361 2.834 20 0 DFADMM CCOc1ccccc1[C@@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000736653955 599419582 /nfs/dbraw/zinc/41/95/82/599419582.db2.gz GUFKJOFEXIHBCE-LLVKDONJSA-N -1 1 310.361 2.834 20 0 DFADMM Cc1[nH]c2ccccc2c1CCNc1cccc(-c2nn[n-]n2)n1 ZINC000737201058 599426997 /nfs/dbraw/zinc/42/69/97/599426997.db2.gz YGNFITAQGVWYCM-UHFFFAOYSA-N -1 1 319.372 2.706 20 0 DFADMM Cc1[nH]c2ccccc2c1CCNc1cccc(-c2nnn[n-]2)n1 ZINC000737201058 599426996 /nfs/dbraw/zinc/42/69/96/599426996.db2.gz YGNFITAQGVWYCM-UHFFFAOYSA-N -1 1 319.372 2.706 20 0 DFADMM Clc1nsc(NCCNc2ccccc2)c1-c1nnn[n-]1 ZINC000737584953 599441893 /nfs/dbraw/zinc/44/18/93/599441893.db2.gz UJAZMWAECIGVDI-UHFFFAOYSA-N -1 1 321.797 2.501 20 0 DFADMM Clc1nsc(NCCNc2ccccc2)c1-c1nn[n-]n1 ZINC000737584953 599441895 /nfs/dbraw/zinc/44/18/95/599441895.db2.gz UJAZMWAECIGVDI-UHFFFAOYSA-N -1 1 321.797 2.501 20 0 DFADMM CSCCCCNc1snc(Cl)c1-c1nnn[n-]1 ZINC000737182473 599443187 /nfs/dbraw/zinc/44/31/87/599443187.db2.gz ONIDZROHJVQYEA-UHFFFAOYSA-N -1 1 304.832 2.532 20 0 DFADMM CSCCCCNc1snc(Cl)c1-c1nn[n-]n1 ZINC000737182473 599443191 /nfs/dbraw/zinc/44/31/91/599443191.db2.gz ONIDZROHJVQYEA-UHFFFAOYSA-N -1 1 304.832 2.532 20 0 DFADMM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1cccc(-c2nnn[n-]2)n1 ZINC000736235637 599472210 /nfs/dbraw/zinc/47/22/10/599472210.db2.gz OZSMRVROOXJKKV-YPMHNXCESA-N -1 1 324.363 2.783 20 0 DFADMM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1cccc(-c2nn[n-]n2)n1 ZINC000736235637 599472212 /nfs/dbraw/zinc/47/22/12/599472212.db2.gz OZSMRVROOXJKKV-YPMHNXCESA-N -1 1 324.363 2.783 20 0 DFADMM Cc1ccc(C[C@H](C)Nc2cccc(-c3nnn[n-]3)n2)s1 ZINC000737334893 599529223 /nfs/dbraw/zinc/52/92/23/599529223.db2.gz OBGZREPCDCOFFY-VIFPVBQESA-N -1 1 300.391 2.675 20 0 DFADMM Cc1ccc(C[C@H](C)Nc2cccc(-c3nn[n-]n3)n2)s1 ZINC000737334893 599529226 /nfs/dbraw/zinc/52/92/26/599529226.db2.gz OBGZREPCDCOFFY-VIFPVBQESA-N -1 1 300.391 2.675 20 0 DFADMM Fc1cccc(Oc2ccc(-n3cccn3)cc2)c1-c1nnn[n-]1 ZINC000737666524 599529494 /nfs/dbraw/zinc/52/94/94/599529494.db2.gz YRMXGPGPMMMIIA-UHFFFAOYSA-N -1 1 322.303 2.984 20 0 DFADMM Fc1cccc(Oc2ccc(-n3cccn3)cc2)c1-c1nn[n-]n1 ZINC000737666524 599529496 /nfs/dbraw/zinc/52/94/96/599529496.db2.gz YRMXGPGPMMMIIA-UHFFFAOYSA-N -1 1 322.303 2.984 20 0 DFADMM CC(C)(C(=O)NOCc1occc1C(=O)[O-])c1ccccc1 ZINC000736223239 599923579 /nfs/dbraw/zinc/92/35/79/599923579.db2.gz CGFNLXWBIGJSTD-UHFFFAOYSA-N -1 1 303.314 2.503 20 0 DFADMM C[C@@H]1CCC[C@@H](C)N1CC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000736774988 599953708 /nfs/dbraw/zinc/95/37/08/599953708.db2.gz MDJMHUSUIOUYSE-CHWSQXEVSA-N -1 1 304.390 2.611 20 0 DFADMM CCCc1nc(COc2cccc(F)c2-c2nn[n-]n2)cs1 ZINC000825351412 607863215 /nfs/dbraw/zinc/86/32/15/607863215.db2.gz DFNKLWZKYSCFCT-UHFFFAOYSA-N -1 1 319.365 2.994 20 0 DFADMM O=C([O-])[C@@H]1CCCN(Cc2csc(-c3ccccn3)n2)C1 ZINC000035297092 600133099 /nfs/dbraw/zinc/13/30/99/600133099.db2.gz ZHUWNRNCIGGOAO-LLVKDONJSA-N -1 1 303.387 2.502 20 0 DFADMM CCC[C@](C)(NCC(=O)Nc1ccccc1C(C)C)C(=O)[O-] ZINC000314289652 600152489 /nfs/dbraw/zinc/15/24/89/600152489.db2.gz MGKZKVLKCNTJON-KRWDZBQOSA-N -1 1 306.406 2.982 20 0 DFADMM CCc1cc(CNC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)n[nH]1 ZINC000737255130 600285418 /nfs/dbraw/zinc/28/54/18/600285418.db2.gz VXFHWDYYWPTCRV-UHFFFAOYSA-N -1 1 322.752 2.645 20 0 DFADMM CC(C)[C@@H]1CCCCN1CC(=O)Nc1ccsc1C(=O)[O-] ZINC000736396884 600319717 /nfs/dbraw/zinc/31/97/17/600319717.db2.gz YNRGLKDMGZUVMS-LBPRGKRZSA-N -1 1 310.419 2.895 20 0 DFADMM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1cccs1)N1CCCCCC1 ZINC000736212243 600382860 /nfs/dbraw/zinc/38/28/60/600382860.db2.gz RWZJPRVXEZLEGW-CHWSQXEVSA-N -1 1 324.446 2.645 20 0 DFADMM CCC(C)(C)N(C)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000736859115 600395314 /nfs/dbraw/zinc/39/53/14/600395314.db2.gz MEMQPJHDHCLLSY-UHFFFAOYSA-N -1 1 303.362 2.654 20 0 DFADMM CC(C)c1ncc2c(n1)CN([C@@H](C(=O)[O-])c1ccccc1)CC2 ZINC000736524714 600408001 /nfs/dbraw/zinc/40/80/01/600408001.db2.gz ONXCXFMFTITMFC-MRXNPFEDSA-N -1 1 311.385 2.784 20 0 DFADMM CC(C)c1ncc2c(n1)CN([C@H](C(=O)[O-])c1ccccc1)CC2 ZINC000736524712 600408152 /nfs/dbraw/zinc/40/81/52/600408152.db2.gz ONXCXFMFTITMFC-INIZCTEOSA-N -1 1 311.385 2.784 20 0 DFADMM O=C([O-])C1(NCC(=O)N2CCC[C@@H]3CCCC[C@H]32)CCCCC1 ZINC000739308709 600460416 /nfs/dbraw/zinc/46/04/16/600460416.db2.gz VMJZEMWYIJKJHE-LSDHHAIUSA-N -1 1 322.449 2.545 20 0 DFADMM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000736717144 600500957 /nfs/dbraw/zinc/50/09/57/600500957.db2.gz LGFUTOVAOLSDAT-OLZOCXBDSA-N -1 1 320.389 2.516 20 0 DFADMM C[C@H](OC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)c1ccc(C(=O)[O-])o1 ZINC000736682710 600736169 /nfs/dbraw/zinc/73/61/69/600736169.db2.gz GNIULYUCUVYZFZ-WYUUTHIRSA-N -1 1 309.362 2.843 20 0 DFADMM C[C@@H](C(=O)OCc1ccc(C(=O)[O-])cc1)N1[C@H](C)CC[C@H]1C ZINC000736760241 600736548 /nfs/dbraw/zinc/73/65/48/600736548.db2.gz AVBCBIAVASKKAH-UPJWGTAASA-N -1 1 305.374 2.689 20 0 DFADMM C[C@@H]1C[C@H](C)CN([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000828162713 600792526 /nfs/dbraw/zinc/79/25/26/600792526.db2.gz YOUQWYCRMPOBJX-LOWVWBTDSA-N -1 1 322.430 2.530 20 0 DFADMM CC(C)C[C@H]1CCN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000826841019 600823657 /nfs/dbraw/zinc/82/36/57/600823657.db2.gz SWOXDZOLXKSBHM-CYBMUJFWSA-N -1 1 304.390 2.691 20 0 DFADMM CC[C@H](C)[C@@H](NC(=O)CN1CCC(C2CCCC2)CC1)C(=O)[O-] ZINC000828714460 600841211 /nfs/dbraw/zinc/84/12/11/600841211.db2.gz APEDCRLWNUPVKX-SUMWQHHRSA-N -1 1 324.465 2.504 20 0 DFADMM CC[C@H](Sc1nc(-c2ccc3c(c2)CCC3)n[nH]1)C(=O)[O-] ZINC000736929571 600991903 /nfs/dbraw/zinc/99/19/03/600991903.db2.gz RIILWUIVUPHCJQ-LBPRGKRZSA-N -1 1 303.387 2.916 20 0 DFADMM CC(C)c1ccc(NC(=O)CN[C@](C)(C(=O)[O-])C2CC2)cc1 ZINC000827125127 601036519 /nfs/dbraw/zinc/03/65/19/601036519.db2.gz XUJADQZTFXMJPY-KRWDZBQOSA-N -1 1 304.390 2.591 20 0 DFADMM COC[C@@](C)(CC(=O)[O-])NCc1nc(-c2ccccc2)oc1C ZINC000831586298 601136733 /nfs/dbraw/zinc/13/67/33/601136733.db2.gz UWAVSXIGSXWVQZ-QGZVFWFLSA-N -1 1 318.373 2.619 20 0 DFADMM CC(C)c1cccc(NC(=O)CN[C@](C)(C(=O)[O-])C2CC2)c1 ZINC000827134397 601175252 /nfs/dbraw/zinc/17/52/52/601175252.db2.gz XOCZKPCEDXDJFW-KRWDZBQOSA-N -1 1 304.390 2.591 20 0 DFADMM O=C([O-])CCCCNC(=O)c1c(O)cc(Cl)cc1Cl ZINC000821518864 601209787 /nfs/dbraw/zinc/20/97/87/601209787.db2.gz MMIFNFUUYOQSDL-UHFFFAOYSA-N -1 1 306.145 2.684 20 0 DFADMM CC(C)c1cn(CN2CCCC[C@@H]2CC(=O)[O-])c(=S)n1C ZINC000827140087 601299776 /nfs/dbraw/zinc/29/97/76/601299776.db2.gz XYYWGZPWWUUINI-GFCCVEGCSA-N -1 1 311.451 2.966 20 0 DFADMM CCc1oc(C(=O)[O-])cc1CN(C)[C@@H](CO)c1ccccc1 ZINC000830355298 601447413 /nfs/dbraw/zinc/44/74/13/601447413.db2.gz HMKITXCKGIGOTA-AWEZNQCLSA-N -1 1 303.358 2.706 20 0 DFADMM COC[C@@](C)(CC(=O)[O-])NCc1csc(-c2ccccc2)n1 ZINC000831585986 601487431 /nfs/dbraw/zinc/48/74/31/601487431.db2.gz QSDLRGFHYJQQDR-MRXNPFEDSA-N -1 1 320.414 2.780 20 0 DFADMM COC[C@@](C)(CC(=O)[O-])NCc1coc(-c2ccc(C)cc2)n1 ZINC000831585384 601488229 /nfs/dbraw/zinc/48/82/29/601488229.db2.gz MVKLTVNETNZNKS-QGZVFWFLSA-N -1 1 318.373 2.619 20 0 DFADMM Cc1ccc(-c2nc(CN3C[C@H](C)[C@H](C(=O)[O-])C3)cs2)o1 ZINC000832906971 601536150 /nfs/dbraw/zinc/53/61/50/601536150.db2.gz ANANRVAWAVDYCJ-JOYOIKCWSA-N -1 1 306.387 2.864 20 0 DFADMM CCCN(CCC)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000829492043 601574935 /nfs/dbraw/zinc/57/49/35/601574935.db2.gz OOHJHBSBZXRQAT-UHFFFAOYSA-N -1 1 303.362 2.656 20 0 DFADMM Cc1cc(C(=O)CN(CCC(=O)[O-])C(C)C)c(C)n1C1CC1 ZINC000832857885 601598769 /nfs/dbraw/zinc/59/87/69/601598769.db2.gz CRWQBHFRWJKWKM-UHFFFAOYSA-N -1 1 306.406 2.808 20 0 DFADMM CCN(CC)C(=O)[C@H]1CCCN1Cc1cc(C(=O)[O-])sc1C ZINC000829648455 601636017 /nfs/dbraw/zinc/63/60/17/601636017.db2.gz NLCCBPQVSPEAAK-CYBMUJFWSA-N -1 1 324.446 2.588 20 0 DFADMM CC[C@H]1CCc2ccccc2N1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000825206020 607520717 /nfs/dbraw/zinc/52/07/17/607520717.db2.gz YMQQAPDWHZRDPY-HNNXBMFYSA-N -1 1 320.400 2.993 20 0 DFADMM CC[C@H]1CCc2ccccc2N1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000825206020 607520720 /nfs/dbraw/zinc/52/07/20/607520720.db2.gz YMQQAPDWHZRDPY-HNNXBMFYSA-N -1 1 320.400 2.993 20 0 DFADMM COc1ccc(CN(C)Cc2ccsc2C(=O)[O-])cc1O ZINC000832310746 601829093 /nfs/dbraw/zinc/82/90/93/601829093.db2.gz GDFGIBMJDPABHL-UHFFFAOYSA-N -1 1 307.371 2.793 20 0 DFADMM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1ccsc1C(=O)[O-] ZINC000829140288 601837944 /nfs/dbraw/zinc/83/79/44/601837944.db2.gz CUQOOTXQFYJIKI-KGLIPLIRSA-N -1 1 324.446 2.668 20 0 DFADMM CCCCN1C(=O)N=NC1SCc1ccc(C(=O)[O-])s1 ZINC000829447979 601845068 /nfs/dbraw/zinc/84/50/68/601845068.db2.gz UTSCHKPMCUPFJQ-UHFFFAOYSA-N -1 1 313.404 2.836 20 0 DFADMM COC(=O)c1cccc(CN[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000831453467 601852143 /nfs/dbraw/zinc/85/21/43/601852143.db2.gz PVXGLJNSSMQGQS-HNNXBMFYSA-N -1 1 317.316 2.528 20 0 DFADMM O=C([O-])C[C@H]1CSCCN1CCc1c(F)cccc1Cl ZINC000833222412 601888437 /nfs/dbraw/zinc/88/84/37/601888437.db2.gz ZYPYJSNQOZUCJH-JTQLQIEISA-N -1 1 317.813 2.914 20 0 DFADMM Cc1ccc(NC(=O)[C@H](C)N2CC[C@@](C)(C(=O)[O-])C2)c(Cl)c1 ZINC000832943375 601930696 /nfs/dbraw/zinc/93/06/96/601930696.db2.gz XDRIJBHQDWWCKM-MEDUHNTESA-N -1 1 324.808 2.772 20 0 DFADMM O=C([O-])NC[C@H]1CCN(Cc2ccccc2C(F)(F)F)C1 ZINC000740647274 601958353 /nfs/dbraw/zinc/95/83/53/601958353.db2.gz ZZLGFHUQEWMMTQ-SNVBAGLBSA-N -1 1 302.296 2.795 20 0 DFADMM CC[C@H](C)[C@@H](NCC(=O)Nc1cccc2ccccc21)C(=O)[O-] ZINC000828739384 601969074 /nfs/dbraw/zinc/96/90/74/601969074.db2.gz REDHGLBHGDVOJN-YVEFUNNKSA-N -1 1 314.385 2.867 20 0 DFADMM O=C([O-])c1ccc(NC(=O)[C@H]2CCCc3[nH]ncc32)cc1Cl ZINC000833318488 602019809 /nfs/dbraw/zinc/01/98/09/602019809.db2.gz GEBLRVKDPOQRRG-VIFPVBQESA-N -1 1 319.748 2.820 20 0 DFADMM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC(CO)CC1 ZINC000833170776 602035024 /nfs/dbraw/zinc/03/50/24/602035024.db2.gz JZZNSASOIKBKEB-CYBMUJFWSA-N -1 1 318.200 2.823 20 0 DFADMM Fc1ccc(Cl)cc1OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826374992 607547978 /nfs/dbraw/zinc/54/79/78/607547978.db2.gz VOLKOPXSOZJGKS-UHFFFAOYSA-N -1 1 305.700 2.633 20 0 DFADMM Fc1ccc(Cl)cc1OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826374992 607547979 /nfs/dbraw/zinc/54/79/79/607547979.db2.gz VOLKOPXSOZJGKS-UHFFFAOYSA-N -1 1 305.700 2.633 20 0 DFADMM Fc1cc(NCc2ccnc(-c3nnn[n-]3)c2)ccc1Cl ZINC000826372748 607549555 /nfs/dbraw/zinc/54/95/55/607549555.db2.gz KFEWFGYEYMYMFL-UHFFFAOYSA-N -1 1 304.716 2.666 20 0 DFADMM Fc1cc(NCc2ccnc(-c3nn[n-]n3)c2)ccc1Cl ZINC000826372748 607549557 /nfs/dbraw/zinc/54/95/57/607549557.db2.gz KFEWFGYEYMYMFL-UHFFFAOYSA-N -1 1 304.716 2.666 20 0 DFADMM CC[C@](C)(CC(=O)[O-])NCc1nnc(-c2cccc(F)c2)o1 ZINC000828671464 602220572 /nfs/dbraw/zinc/22/05/72/602220572.db2.gz DIJITXIYHZFUBQ-OAHLLOKOSA-N -1 1 307.325 2.609 20 0 DFADMM CC[C@](C)(CC(=O)[O-])NCc1nc(CCc2ccccc2)no1 ZINC000828672793 602222148 /nfs/dbraw/zinc/22/21/48/602222148.db2.gz VWZIRORSNMOGMH-QGZVFWFLSA-N -1 1 317.389 2.588 20 0 DFADMM CC(C)N(C(=O)CN[C@H](C(=O)[O-])C(C)(C)C)c1ccccc1 ZINC000826924585 602227783 /nfs/dbraw/zinc/22/77/83/602227783.db2.gz KPDHNXRXCZHNSP-OAHLLOKOSA-N -1 1 306.406 2.517 20 0 DFADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCC2(CCC2)C1 ZINC000832914679 602240496 /nfs/dbraw/zinc/24/04/96/602240496.db2.gz GHXIFWBRFYIYFK-CYBMUJFWSA-N -1 1 316.401 2.896 20 0 DFADMM CC[C@@H](C)[C@H](NCC(=O)Nc1c(C)cc(C)cc1C)C(=O)[O-] ZINC000828737868 602264039 /nfs/dbraw/zinc/26/40/39/602264039.db2.gz MIUPJCTYGWQCTP-BZNIZROVSA-N -1 1 306.406 2.639 20 0 DFADMM O=C([O-])c1sccc1CN1CCc2ccccc2[C@H]1CO ZINC000833348417 602320080 /nfs/dbraw/zinc/32/00/80/602320080.db2.gz JWISQCVXVKLSIT-CQSZACIVSA-N -1 1 303.383 2.538 20 0 DFADMM CCc1oc(C(=O)[O-])cc1CN1CCC[C@H]1c1cn(C)nc1C ZINC000830369658 602344493 /nfs/dbraw/zinc/34/44/93/602344493.db2.gz RRGSRIZPDLUSEQ-AWEZNQCLSA-N -1 1 317.389 2.919 20 0 DFADMM Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])c(C)o1 ZINC000833015713 602345064 /nfs/dbraw/zinc/34/50/64/602345064.db2.gz NOLUYYUCSJXWIZ-HNNXBMFYSA-N -1 1 303.362 2.665 20 0 DFADMM Cc1nn(C)cc1[C@@H]1CCCN1Cc1cc(C(=O)[O-])c(C)o1 ZINC000833015713 602345068 /nfs/dbraw/zinc/34/50/68/602345068.db2.gz NOLUYYUCSJXWIZ-HNNXBMFYSA-N -1 1 303.362 2.665 20 0 DFADMM O=C([O-])Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC000740703282 602653390 /nfs/dbraw/zinc/65/33/90/602653390.db2.gz JYWAUQUXAYYIOU-UHFFFAOYSA-N -1 1 316.335 2.778 20 0 DFADMM CN(C(=O)[O-])[C@H]1CCCN(c2ccnc3cc(F)ccc32)C1 ZINC000739585745 602861956 /nfs/dbraw/zinc/86/19/56/602861956.db2.gz 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DFADMM CC(C)CN(CCC(=O)[O-])Cc1c(Cl)nc(Cl)n1C ZINC000833486568 604578833 /nfs/dbraw/zinc/57/88/33/604578833.db2.gz NJYUSHNSHFGMBW-UHFFFAOYSA-N -1 1 308.209 2.660 20 0 DFADMM Cc1cc([C@H](C)OC(=O)[C@@H]2CCCc3[nH]ncc32)oc1C(=O)[O-] ZINC000832878943 604600767 /nfs/dbraw/zinc/60/07/67/604600767.db2.gz ZJTZRLOJJCKUBG-VHSXEESVSA-N -1 1 318.329 2.734 20 0 DFADMM CCn1ccnc1CN[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000830423955 604629374 /nfs/dbraw/zinc/62/93/74/604629374.db2.gz BEBKQXCIBCHPPY-HNNXBMFYSA-N -1 1 301.390 2.845 20 0 DFADMM C[C@@H]1CN(Cc2ccc(F)c(C(F)(F)F)c2)C[C@H]1C(=O)[O-] ZINC000235359588 604668271 /nfs/dbraw/zinc/66/82/71/604668271.db2.gz IBGDGYZXBCSGIG-PSASIEDQSA-N -1 1 305.271 2.997 20 0 DFADMM O=C([O-])c1ccc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)cc1F ZINC000833165344 604746727 /nfs/dbraw/zinc/74/67/27/604746727.db2.gz HAJFRXNVXCNKCY-UHFFFAOYSA-N -1 1 317.198 2.518 20 0 DFADMM Cc1cc(C)c(NC(=O)CN(C[C@H](C)C(=O)[O-])C2CC2)c(C)c1 ZINC000832876041 604747531 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C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CCN1C ZINC000833621072 605132137 /nfs/dbraw/zinc/13/21/37/605132137.db2.gz HNIOWXHUDRECEK-RNCFNFMXSA-N -1 1 317.216 2.755 20 0 DFADMM CC(C)C[C@H](NC(=O)[O-])C(=O)Nc1cccc(Cl)c1O ZINC000736414755 605155881 /nfs/dbraw/zinc/15/58/81/605155881.db2.gz DXZKQMLGCVDXKT-JTQLQIEISA-N -1 1 300.742 2.666 20 0 DFADMM O=C([O-])[C@@H]1CC12CCN(Cc1nc3c(s1)CCCC3)CC2 ZINC000833771482 605198379 /nfs/dbraw/zinc/19/83/79/605198379.db2.gz GUYPWRJFZRNHGG-NSHDSACASA-N -1 1 306.431 2.709 20 0 DFADMM C[C@H](O)C1CCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC000833525518 605375936 /nfs/dbraw/zinc/37/59/36/605375936.db2.gz DJDKZSUPMYLLSI-LKFCYVNXSA-N -1 1 315.772 2.698 20 0 DFADMM O=C([O-])N[C@H]1CCCN(Cc2ccc(OCC(F)F)cc2)C1 ZINC000834184874 605492780 /nfs/dbraw/zinc/49/27/80/605492780.db2.gz XFOCEBDOCAFBIL-LBPRGKRZSA-N -1 1 314.332 2.563 20 0 DFADMM O=C([O-])Nc1ccc(CN2CCC(c3ccccn3)CC2)cn1 ZINC000834260529 605553572 /nfs/dbraw/zinc/55/35/72/605553572.db2.gz 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C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(F)cc1 ZINC000820511641 606132043 /nfs/dbraw/zinc/13/20/43/606132043.db2.gz ACXYQFGBQVWWKK-QMMMGPOBSA-N -1 1 318.333 2.985 20 0 DFADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(F)cc1 ZINC000820511641 606132045 /nfs/dbraw/zinc/13/20/45/606132045.db2.gz ACXYQFGBQVWWKK-QMMMGPOBSA-N -1 1 318.333 2.985 20 0 DFADMM Cc1cc(COC(=O)c2ccc(-c3nnn[n-]3)s2)c(C)s1 ZINC000822201285 606133929 /nfs/dbraw/zinc/13/39/29/606133929.db2.gz YWTRVJDHKHOQIQ-UHFFFAOYSA-N -1 1 320.399 2.964 20 0 DFADMM Cc1cc(COC(=O)c2ccc(-c3nn[n-]n3)s2)c(C)s1 ZINC000822201285 606133931 /nfs/dbraw/zinc/13/39/31/606133931.db2.gz YWTRVJDHKHOQIQ-UHFFFAOYSA-N -1 1 320.399 2.964 20 0 DFADMM CN(Cc1cc2ccccc2o1)c1cccc(-c2nnn[n-]2)n1 ZINC000821608843 606140737 /nfs/dbraw/zinc/14/07/37/606140737.db2.gz XDJMCVZMPQTHSP-UHFFFAOYSA-N -1 1 306.329 2.644 20 0 DFADMM CN(Cc1cc2ccccc2o1)c1cccc(-c2nn[n-]n2)n1 ZINC000821608843 606140738 /nfs/dbraw/zinc/14/07/38/606140738.db2.gz XDJMCVZMPQTHSP-UHFFFAOYSA-N -1 1 306.329 2.644 20 0 DFADMM C[C@H]1C[C@H](OC(=O)c2ccc(-c3nnn[n-]3)s2)C[C@@H](C)C1 ZINC000820650916 606180066 /nfs/dbraw/zinc/18/00/66/606180066.db2.gz YXXRSFKMOKTARH-MYJAWHEDSA-N -1 1 306.391 2.910 20 0 DFADMM C[C@H]1C[C@H](OC(=O)c2ccc(-c3nn[n-]n3)s2)C[C@@H](C)C1 ZINC000820650916 606180068 /nfs/dbraw/zinc/18/00/68/606180068.db2.gz YXXRSFKMOKTARH-MYJAWHEDSA-N -1 1 306.391 2.910 20 0 DFADMM CC(C)C[C@@H](C)CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820055213 606294129 /nfs/dbraw/zinc/29/41/29/606294129.db2.gz FPGSPQZCTGHHOI-SNVBAGLBSA-N -1 1 303.366 2.583 20 0 DFADMM Cc1csc(Sc2ccc(Cl)c(-c3nnn[n-]3)n2)n1 ZINC000822414909 606440390 /nfs/dbraw/zinc/44/03/90/606440390.db2.gz ZYARIHUOKBHKAN-UHFFFAOYSA-N -1 1 310.795 2.831 20 0 DFADMM Cc1csc(Sc2ccc(Cl)c(-c3nn[n-]n3)n2)n1 ZINC000822414909 606440391 /nfs/dbraw/zinc/44/03/91/606440391.db2.gz ZYARIHUOKBHKAN-UHFFFAOYSA-N -1 1 310.795 2.831 20 0 DFADMM Fc1ccc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1F ZINC000822782886 606440698 /nfs/dbraw/zinc/44/06/98/606440698.db2.gz KSSSSUYYQBCDCM-UHFFFAOYSA-N -1 1 309.663 2.986 20 0 DFADMM Fc1ccc(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1F ZINC000822782886 606440699 /nfs/dbraw/zinc/44/06/99/606440699.db2.gz KSSSSUYYQBCDCM-UHFFFAOYSA-N -1 1 309.663 2.986 20 0 DFADMM C[C@H](c1cc(F)ccc1F)N(C)c1cccc(-c2nnn[n-]2)n1 ZINC000820557354 606457094 /nfs/dbraw/zinc/45/70/94/606457094.db2.gz YVIYECQHHDBPSK-SECBINFHSA-N -1 1 316.315 2.737 20 0 DFADMM C[C@H](c1cc(F)ccc1F)N(C)c1cccc(-c2nn[n-]n2)n1 ZINC000820557354 606457096 /nfs/dbraw/zinc/45/70/96/606457096.db2.gz YVIYECQHHDBPSK-SECBINFHSA-N -1 1 316.315 2.737 20 0 DFADMM Clc1ccc(NC[C@H]2Cc3ccccc32)nc1-c1nnn[n-]1 ZINC000822578954 606459643 /nfs/dbraw/zinc/45/96/43/606459643.db2.gz UFAGXBWIFXQXLZ-SNVBAGLBSA-N -1 1 312.764 2.667 20 0 DFADMM Clc1ccc(NC[C@H]2Cc3ccccc32)nc1-c1nn[n-]n1 ZINC000822578954 606459645 /nfs/dbraw/zinc/45/96/45/606459645.db2.gz UFAGXBWIFXQXLZ-SNVBAGLBSA-N -1 1 312.764 2.667 20 0 DFADMM CCN(CCC(F)(F)F)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821206447 606461782 /nfs/dbraw/zinc/46/17/82/606461782.db2.gz BGUJAQQXMFXJAH-UHFFFAOYSA-N -1 1 320.706 2.694 20 0 DFADMM CCN(CCC(F)(F)F)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821206447 606461783 /nfs/dbraw/zinc/46/17/83/606461783.db2.gz BGUJAQQXMFXJAH-UHFFFAOYSA-N -1 1 320.706 2.694 20 0 DFADMM Cc1ccc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822229265 606504229 /nfs/dbraw/zinc/50/42/29/606504229.db2.gz QLOANGFPKDYUPL-JTQLQIEISA-N -1 1 313.386 2.728 20 0 DFADMM Cc1ccc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822229265 606504230 /nfs/dbraw/zinc/50/42/30/606504230.db2.gz QLOANGFPKDYUPL-JTQLQIEISA-N -1 1 313.386 2.728 20 0 DFADMM CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820980149 606509748 /nfs/dbraw/zinc/50/97/48/606509748.db2.gz KSQSEOYKBVOAMU-NXEZZACHSA-N -1 1 305.407 2.627 20 0 DFADMM CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820980149 606509749 /nfs/dbraw/zinc/50/97/49/606509749.db2.gz KSQSEOYKBVOAMU-NXEZZACHSA-N -1 1 305.407 2.627 20 0 DFADMM CCC(CC)CN(CC)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820893803 606510077 /nfs/dbraw/zinc/51/00/77/606510077.db2.gz VUFCGTFYQPDFOU-UHFFFAOYSA-N -1 1 307.423 2.827 20 0 DFADMM CCC(CC)CN(CC)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820893803 606510078 /nfs/dbraw/zinc/51/00/78/606510078.db2.gz VUFCGTFYQPDFOU-UHFFFAOYSA-N -1 1 307.423 2.827 20 0 DFADMM CC[C@@H](C)[C@H](C)N(C(=O)c1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC000820862198 606551866 /nfs/dbraw/zinc/55/18/66/606551866.db2.gz PRRDIURJCUZQRB-ZJUUUORDSA-N -1 1 319.434 2.967 20 0 DFADMM CC[C@@H](C)[C@H](C)N(C(=O)c1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC000820862198 606551868 /nfs/dbraw/zinc/55/18/68/606551868.db2.gz PRRDIURJCUZQRB-ZJUUUORDSA-N -1 1 319.434 2.967 20 0 DFADMM CC[C@@H](C)[C@@H](C)N(C(=O)c1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC000820862189 606551871 /nfs/dbraw/zinc/55/18/71/606551871.db2.gz PRRDIURJCUZQRB-NXEZZACHSA-N -1 1 319.434 2.967 20 0 DFADMM CC[C@@H](C)[C@@H](C)N(C(=O)c1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC000820862189 606551874 /nfs/dbraw/zinc/55/18/74/606551874.db2.gz PRRDIURJCUZQRB-NXEZZACHSA-N -1 1 319.434 2.967 20 0 DFADMM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820678799 606564465 /nfs/dbraw/zinc/56/44/65/606564465.db2.gz YNHPBBFEZAPBAV-VWYCJHECSA-N -1 1 317.418 2.721 20 0 DFADMM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820678799 606564466 /nfs/dbraw/zinc/56/44/66/606564466.db2.gz YNHPBBFEZAPBAV-VWYCJHECSA-N -1 1 317.418 2.721 20 0 DFADMM CC(C)[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820037793 606566221 /nfs/dbraw/zinc/56/62/21/606566221.db2.gz HXADBCDQPSJHQD-SNVBAGLBSA-N -1 1 305.407 2.579 20 0 DFADMM CC(C)[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820037793 606566222 /nfs/dbraw/zinc/56/62/22/606566222.db2.gz HXADBCDQPSJHQD-SNVBAGLBSA-N -1 1 305.407 2.579 20 0 DFADMM CCCCCC(C)(C)CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821043968 606687266 /nfs/dbraw/zinc/68/72/66/606687266.db2.gz WLWJMNQXQGKGQK-UHFFFAOYSA-N -1 1 316.409 2.598 20 0 DFADMM CCCCCC(C)(C)CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821043968 606687267 /nfs/dbraw/zinc/68/72/67/606687267.db2.gz WLWJMNQXQGKGQK-UHFFFAOYSA-N -1 1 316.409 2.598 20 0 DFADMM CCC(CC)(CC)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820882614 607048606 /nfs/dbraw/zinc/04/86/06/607048606.db2.gz VMUZBOPLBVXVEP-UHFFFAOYSA-N -1 1 307.423 2.874 20 0 DFADMM CCC(CC)(CC)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820882614 607048608 /nfs/dbraw/zinc/04/86/08/607048608.db2.gz VMUZBOPLBVXVEP-UHFFFAOYSA-N -1 1 307.423 2.874 20 0 DFADMM CCCc1nc(COc2cccc(F)c2-c2nnn[n-]2)cs1 ZINC000825351412 607863214 /nfs/dbraw/zinc/86/32/14/607863214.db2.gz DFNKLWZKYSCFCT-UHFFFAOYSA-N -1 1 319.365 2.994 20 0 DFADMM Fc1ccc(COc2cccc(F)c2-c2nnn[n-]2)c(F)c1 ZINC000826375041 607866109 /nfs/dbraw/zinc/86/61/09/607866109.db2.gz XEZPXZJJWFVGPK-UHFFFAOYSA-N -1 1 306.247 2.863 20 0 DFADMM Fc1ccc(COc2cccc(F)c2-c2nn[n-]n2)c(F)c1 ZINC000826375041 607866110 /nfs/dbraw/zinc/86/61/10/607866110.db2.gz XEZPXZJJWFVGPK-UHFFFAOYSA-N -1 1 306.247 2.863 20 0 DFADMM c1cc(Nc2cccc(-c3nnn[n-]3)n2)cc(N2CCCCC2)c1 ZINC000826517825 607897595 /nfs/dbraw/zinc/89/75/95/607897595.db2.gz PXQCQWOIARRKCR-UHFFFAOYSA-N -1 1 321.388 2.996 20 0 DFADMM c1cc(Nc2cccc(-c3nn[n-]n3)n2)cc(N2CCCCC2)c1 ZINC000826517825 607897596 /nfs/dbraw/zinc/89/75/96/607897596.db2.gz PXQCQWOIARRKCR-UHFFFAOYSA-N -1 1 321.388 2.996 20 0 DFADMM C[C@H]1C[C@H]1C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000824900015 607929390 /nfs/dbraw/zinc/92/93/90/607929390.db2.gz RPEIMKMODQKARL-JGVFFNPUSA-N -1 1 305.407 2.820 20 0 DFADMM C[C@H]1C[C@H]1C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000824900015 607929391 /nfs/dbraw/zinc/92/93/91/607929391.db2.gz RPEIMKMODQKARL-JGVFFNPUSA-N -1 1 305.407 2.820 20 0 DFADMM CC[C@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccccc1 ZINC000825038578 607998377 /nfs/dbraw/zinc/99/83/77/607998377.db2.gz FSSZRAWUDLCBKK-ZDUSSCGKSA-N -1 1 323.356 2.705 20 0 DFADMM Clc1nsc(N2CCc3ccsc3C2)c1-c1nnn[n-]1 ZINC000826353916 608019072 /nfs/dbraw/zinc/01/90/72/608019072.db2.gz JCYHZCSRMSFLET-UHFFFAOYSA-N -1 1 324.822 2.601 20 0 DFADMM Clc1nsc(N2CCc3ccsc3C2)c1-c1nn[n-]n1 ZINC000826353916 608019073 /nfs/dbraw/zinc/01/90/73/608019073.db2.gz JCYHZCSRMSFLET-UHFFFAOYSA-N -1 1 324.822 2.601 20 0 DFADMM Clc1nsc(Oc2cccnc2Cl)c1-c1nn[n-]n1 ZINC000826353890 608184442 /nfs/dbraw/zinc/18/44/42/608184442.db2.gz HXFBKDHTDMRZGI-UHFFFAOYSA-N -1 1 315.145 2.817 20 0 DFADMM C[C@@H]1CCC[C@H](C)N(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000824927433 608184896 /nfs/dbraw/zinc/18/48/96/608184896.db2.gz OGLVQMUDZJROAE-SFYZADRCSA-N -1 1 312.830 2.992 20 0 DFADMM C[C@@H]1CCC[C@H](C)N(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000824927433 608184899 /nfs/dbraw/zinc/18/48/99/608184899.db2.gz OGLVQMUDZJROAE-SFYZADRCSA-N -1 1 312.830 2.992 20 0 DFADMM Cc1cc(Oc2ccc(-c3nnn[n-]3)nn2)cc(C)c1Cl ZINC000826271769 608399780 /nfs/dbraw/zinc/39/97/80/608399780.db2.gz GRAYSCYKCSTDTQ-UHFFFAOYSA-N -1 1 302.725 2.719 20 0 DFADMM Cc1cc(Oc2ccc(-c3nn[n-]n3)nn2)cc(C)c1Cl ZINC000826271769 608399782 /nfs/dbraw/zinc/39/97/82/608399782.db2.gz GRAYSCYKCSTDTQ-UHFFFAOYSA-N -1 1 302.725 2.719 20 0 DFADMM CCc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1CC ZINC000825712405 608431027 /nfs/dbraw/zinc/43/10/27/608431027.db2.gz QTAFXMBNDDQPCB-UHFFFAOYSA-N -1 1 322.372 2.639 20 0 DFADMM CCc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1CC ZINC000825712405 608431029 /nfs/dbraw/zinc/43/10/29/608431029.db2.gz QTAFXMBNDDQPCB-UHFFFAOYSA-N -1 1 322.372 2.639 20 0 DFADMM c1cc(N2CCC[C@@H]2CCC2CCCC2)nnc1-c1nnn[n-]1 ZINC000826517052 608434894 /nfs/dbraw/zinc/43/48/94/608434894.db2.gz NPFSCYKRJFSQLX-CYBMUJFWSA-N -1 1 313.409 2.596 20 0 DFADMM c1cc(N2CCC[C@@H]2CCC2CCCC2)nnc1-c1nn[n-]n1 ZINC000826517052 608434896 /nfs/dbraw/zinc/43/48/96/608434896.db2.gz NPFSCYKRJFSQLX-CYBMUJFWSA-N -1 1 313.409 2.596 20 0 DFADMM CC1(C)CCc2ccccc2[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824808537 608437022 /nfs/dbraw/zinc/43/70/22/608437022.db2.gz UXELBZHZSHDJPQ-HNNXBMFYSA-N -1 1 321.388 2.782 20 0 DFADMM CC1(C)CCc2ccccc2[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824808537 608437023 /nfs/dbraw/zinc/43/70/23/608437023.db2.gz UXELBZHZSHDJPQ-HNNXBMFYSA-N -1 1 321.388 2.782 20 0 DFADMM Cc1ccc(-c2nn[n-]n2)nc1N(C)Cc1cccc(Cl)c1 ZINC000826280344 608540809 /nfs/dbraw/zinc/54/08/09/608540809.db2.gz YELVFFPWIBZMHJ-UHFFFAOYSA-N -1 1 314.780 2.860 20 0 DFADMM Cc1csc([C@@H]2CCCN2Cc2ccc(-c3nnn[n-]3)o2)n1 ZINC000826320542 608663905 /nfs/dbraw/zinc/66/39/05/608663905.db2.gz UZJUWBIGJDPURB-NSHDSACASA-N -1 1 316.390 2.562 20 0 DFADMM C[C@H]1C[C@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C[C@@H](C)C1 ZINC000824875990 609160834 /nfs/dbraw/zinc/16/08/34/609160834.db2.gz QCQPJFCPEPONBW-IAZYJMLFSA-N -1 1 315.377 2.583 20 0 DFADMM CC[C@@H](C)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000825067503 609310841 /nfs/dbraw/zinc/31/08/41/609310841.db2.gz KVPTUIQZHXHRAA-SECBINFHSA-N -1 1 317.780 2.881 20 0 DFADMM C[C@H]1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C[C@@H]1F ZINC000824962206 609319460 /nfs/dbraw/zinc/31/94/60/609319460.db2.gz QCPCJWQUOANAGA-JQWIXIFHSA-N -1 1 312.352 2.599 20 0 DFADMM C[C@H]1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C[C@@H]1F ZINC000824962206 609319462 /nfs/dbraw/zinc/31/94/62/609319462.db2.gz QCPCJWQUOANAGA-JQWIXIFHSA-N -1 1 312.352 2.599 20 0 DFADMM Cc1ccc2c(c1)[C@H](Nc1cccc(-c3nnn[n-]3)n1)[C@H](C)C2 ZINC000826294728 609570587 /nfs/dbraw/zinc/57/05/87/609570587.db2.gz ZYUCVHNWFDAJJV-BDJLRTHQSA-N -1 1 306.373 2.916 20 0 DFADMM Cc1ccc2c(c1)[C@H](Nc1cccc(-c3nn[n-]n3)n1)[C@H](C)C2 ZINC000826294728 609570590 /nfs/dbraw/zinc/57/05/90/609570590.db2.gz ZYUCVHNWFDAJJV-BDJLRTHQSA-N -1 1 306.373 2.916 20 0 DFADMM C[C@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)CC(C)(C)C1 ZINC000825000170 609592480 /nfs/dbraw/zinc/59/24/80/609592480.db2.gz NNXCCUOKEPYUSN-SSDOTTSWSA-N -1 1 312.830 2.849 20 0 DFADMM C[C@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)CC(C)(C)C1 ZINC000825000170 609592482 /nfs/dbraw/zinc/59/24/82/609592482.db2.gz NNXCCUOKEPYUSN-SSDOTTSWSA-N -1 1 312.830 2.849 20 0 DFADMM C[C@H]1C[C@@H](CCNc2ccc(Cl)c(-c3nnn[n-]3)n2)CCO1 ZINC000824886314 609596251 /nfs/dbraw/zinc/59/62/51/609596251.db2.gz WZTCWLAXHSTGQM-UWVGGRQHSA-N -1 1 322.800 2.532 20 0 DFADMM C[C@H]1C[C@@H](CCNc2ccc(Cl)c(-c3nn[n-]n3)n2)CCO1 ZINC000824886314 609596254 /nfs/dbraw/zinc/59/62/54/609596254.db2.gz WZTCWLAXHSTGQM-UWVGGRQHSA-N -1 1 322.800 2.532 20 0 DFADMM Cc1cccc(OC(=O)c2ccc(-c3nnn[n-]3)s2)c1F ZINC000826300422 609621599 /nfs/dbraw/zinc/62/15/99/609621599.db2.gz UTBWABCNZFEDSJ-UHFFFAOYSA-N -1 1 304.306 2.595 20 0 DFADMM Cc1cccc(OC(=O)c2ccc(-c3nn[n-]n3)s2)c1F ZINC000826300422 609621601 /nfs/dbraw/zinc/62/16/01/609621601.db2.gz UTBWABCNZFEDSJ-UHFFFAOYSA-N -1 1 304.306 2.595 20 0 DFADMM Cc1ccc2c([O-])c(C(=O)N(C)CCc3ccccc3)cnc2n1 ZINC000076871293 185047831 /nfs/dbraw/zinc/04/78/31/185047831.db2.gz ZLVYTUOMFWRLQL-UHFFFAOYSA-N -1 1 321.380 2.959 20 0 DFADMM Cc1ccc2c(n1)[n-]cc(C(=O)N(C)CCc1ccccc1)c2=O ZINC000076871293 185047833 /nfs/dbraw/zinc/04/78/33/185047833.db2.gz ZLVYTUOMFWRLQL-UHFFFAOYSA-N -1 1 321.380 2.959 20 0 DFADMM CCn1c(=S)[n-]nc1[C@H]1CCCN(C(=O)C2CC=CC2)C1 ZINC000076994400 185064385 /nfs/dbraw/zinc/06/43/85/185064385.db2.gz XMFZKDYAAZEKJY-LBPRGKRZSA-N -1 1 306.435 2.633 20 0 DFADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)c1nc(C(C)(C)C)no1 ZINC000181245778 199270959 /nfs/dbraw/zinc/27/09/59/199270959.db2.gz WXUDZGZVNAHEGI-MRVPVSSYSA-N -1 1 307.325 2.703 20 0 DFADMM CC[C@@H]1C[C@@H](C)CN1C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000330936414 529421694 /nfs/dbraw/zinc/42/16/94/529421694.db2.gz RWJMUAYOIWACFP-ZYHUDNBSSA-N -1 1 323.462 2.792 20 0 DFADMM CCc1cc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)sc1C ZINC000331820973 529512749 /nfs/dbraw/zinc/51/27/49/529512749.db2.gz MSMASQMLBLIWNV-LLVKDONJSA-N -1 1 321.402 2.727 20 0 DFADMM CCc1cc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)oc1CC ZINC000331909006 529513010 /nfs/dbraw/zinc/51/30/10/529513010.db2.gz YDYRPQXPKBWOJW-LLVKDONJSA-N -1 1 319.361 2.513 20 0 DFADMM Cc1nc(S[C@@H](C)C(=O)Nc2ccccc2)[n-]c(=O)c1C ZINC000009291361 398374746 /nfs/dbraw/zinc/37/47/46/398374746.db2.gz UJIPRKDZSJVTNW-NSHDSACASA-N -1 1 303.387 2.506 20 0 DFADMM Cc1nc(C)c(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)s1 ZINC000081927576 398375221 /nfs/dbraw/zinc/37/52/21/398375221.db2.gz QJCUEIFYHMTSFA-UHFFFAOYSA-N -1 1 320.418 2.701 20 0 DFADMM CC(C)OC(=O)CCNC(=O)c1ccc2ccccc2c1[O-] ZINC000010669321 398379203 /nfs/dbraw/zinc/37/92/03/398379203.db2.gz GGPFDRVOBLVTTF-UHFFFAOYSA-N -1 1 301.342 2.617 20 0 DFADMM [O-]c1ccc(-c2noc([C@@H]3CCc4c[nH]nc4C3)n2)c(F)c1 ZINC000278201808 214020733 /nfs/dbraw/zinc/02/07/33/214020733.db2.gz POVIIZZEFMRVIX-MRVPVSSYSA-N -1 1 300.293 2.577 20 0 DFADMM CC(C)(C)c1ccc([C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)cc1 ZINC000092617541 185329443 /nfs/dbraw/zinc/32/94/43/185329443.db2.gz MTEYOLIZNKAEPS-AWEZNQCLSA-N -1 1 300.406 2.733 20 0 DFADMM CCO[C@H]1C[C@H](N(C)C(=O)c2cc(F)ccc2[O-])C12CCC2 ZINC000092756581 185338188 /nfs/dbraw/zinc/33/81/88/185338188.db2.gz ZGNNPSKNUKIGME-GJZGRUSLSA-N -1 1 307.365 2.951 20 0 DFADMM Cc1n[n-]c(=S)n1CCNC(=O)Nc1ccc(C)c(C)c1 ZINC000084293451 398397041 /nfs/dbraw/zinc/39/70/41/398397041.db2.gz ZCVWGNRUHHMXNW-UHFFFAOYSA-N -1 1 305.407 2.688 20 0 DFADMM 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COC(=O)c1c[n-]c(S[C@@H](C)C(=O)Nc2ccccc2C)n1 ZINC000187584160 200131577 /nfs/dbraw/zinc/13/15/77/200131577.db2.gz XUECBHDGIILBBM-JTQLQIEISA-N -1 1 319.386 2.624 20 0 DFADMM O=C(N[C@H]1CCC[C@H]1CCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000187837660 200164569 /nfs/dbraw/zinc/16/45/69/200164569.db2.gz IPIUIZXHXIWMKL-CABZTGNLSA-N -1 1 317.307 2.692 20 0 DFADMM C[C@H]1OCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])[C@@H]1C ZINC000180730979 291203079 /nfs/dbraw/zinc/20/30/79/291203079.db2.gz DEUZOOVBIBOCGZ-RKDXNWHRSA-N -1 1 303.280 2.660 20 0 DFADMM CCC(CC)(CC)[N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1 ZINC000595315997 398921890 /nfs/dbraw/zinc/92/18/90/398921890.db2.gz WTFWGTSQSGFFSO-UHFFFAOYSA-N -1 1 317.407 2.622 20 0 DFADMM CC(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000150837133 398922033 /nfs/dbraw/zinc/92/20/33/398922033.db2.gz ORGFYHPTPIPPRG-CJNGLKHVSA-N -1 1 323.414 2.772 20 0 DFADMM COc1c(F)ccc(F)c1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000152346196 398930424 /nfs/dbraw/zinc/93/04/24/398930424.db2.gz 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ZINC000433816861 296919703 /nfs/dbraw/zinc/91/97/03/296919703.db2.gz AFLMGOQZQMXPHC-UHFFFAOYSA-N -1 1 321.354 2.508 20 0 DFADMM CO[C@H](C)CN(C(=O)c1ncc2ccccc2c1[O-])C(C)C ZINC000669086319 543905858 /nfs/dbraw/zinc/90/58/58/543905858.db2.gz JJRWOBUZVAMJNL-GFCCVEGCSA-N -1 1 302.374 2.826 20 0 DFADMM COc1cc(C(=O)N2CC(C(F)(F)F)C2)cc(Cl)c1[O-] ZINC000669331723 543934357 /nfs/dbraw/zinc/93/43/57/543934357.db2.gz QKGSMRVPZVCLCL-UHFFFAOYSA-N -1 1 309.671 2.689 20 0 DFADMM CCOC[C@@H](NCc1c(Cl)cccc1OC(F)F)C(=O)[O-] ZINC000669481491 543955176 /nfs/dbraw/zinc/95/51/76/543955176.db2.gz GUHJJOKMUYPQKH-SNVBAGLBSA-N -1 1 323.723 2.521 20 0 DFADMM Cc1nc(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)co1 ZINC000669958542 544012452 /nfs/dbraw/zinc/01/24/52/544012452.db2.gz ZTZVBQYSXFQJEU-SNAWJCMRSA-N -1 1 302.315 2.850 20 0 DFADMM CCOc1cccc(CN[C@@H](CC(=O)[O-])c2cccs2)n1 ZINC000671162648 544057987 /nfs/dbraw/zinc/05/79/87/544057987.db2.gz QIWAHJCATZINSM-LBPRGKRZSA-N -1 1 306.387 2.847 20 0 DFADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)cn1 ZINC000671660844 544094605 /nfs/dbraw/zinc/09/46/05/544094605.db2.gz KXKZCVRBMNRPGJ-UHFFFAOYSA-N -1 1 304.371 2.768 20 0 DFADMM COc1cccc(S(=O)(=O)[N-]c2ccc(F)c(C(C)=O)c2)c1 ZINC000671662586 544094762 /nfs/dbraw/zinc/09/47/62/544094762.db2.gz RURXXPWLJQFBGA-UHFFFAOYSA-N -1 1 323.345 2.838 20 0 DFADMM Cn1ccc2ccc(NC(=O)c3ccc([O-])c(F)c3)cc2c1=O ZINC000671927001 544117009 /nfs/dbraw/zinc/11/70/09/544117009.db2.gz PXOSCUMANWKTRR-UHFFFAOYSA-N -1 1 312.300 2.636 20 0 DFADMM C[C@@H]1CSC[C@@H]1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000672222372 544129647 /nfs/dbraw/zinc/12/96/47/544129647.db2.gz ULAMGCJUBHBXDB-XCBNKYQSSA-N -1 1 305.321 2.892 20 0 DFADMM CCOc1nc(C(=O)[N-]c2onc(C(F)(F)F)c2CC)co1 ZINC000673085260 544167632 /nfs/dbraw/zinc/16/76/32/544167632.db2.gz QCVIZGHIMNLMBJ-UHFFFAOYSA-N -1 1 319.239 2.895 20 0 DFADMM O=S(=O)(Cc1ccccc1F)[N-]C1(C(F)F)CCCC1 ZINC000673586560 544185455 /nfs/dbraw/zinc/18/54/55/544185455.db2.gz MLBCJLSTBNKDIJ-UHFFFAOYSA-N -1 1 307.337 2.823 20 0 DFADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCC2(C)C)c(F)c1 ZINC000674262929 544227764 /nfs/dbraw/zinc/22/77/64/544227764.db2.gz MNIQOUBVVWOTIH-GFCCVEGCSA-N -1 1 319.373 2.830 20 0 DFADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)[C@H]2CCSC2)CC1 ZINC000675592139 544321139 /nfs/dbraw/zinc/32/11/39/544321139.db2.gz GFHSQEIJSLZRLU-AWEZNQCLSA-N -1 1 319.426 2.567 20 0 DFADMM O=C(c1cc(F)ccc1[O-])N1CC(c2nc3ccccc3[nH]2)C1 ZINC000675525810 544317554 /nfs/dbraw/zinc/31/75/54/544317554.db2.gz ACXPMHPEQDJIKG-UHFFFAOYSA-N -1 1 311.316 2.647 20 0 DFADMM CCc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)sc2C)cc1 ZINC000675277911 544297880 /nfs/dbraw/zinc/29/78/80/544297880.db2.gz SPNJKQDIWIWNLT-UHFFFAOYSA-N -1 1 324.427 2.519 20 0 DFADMM Cc1cc(S(=O)(=O)[N-][C@H]2CCC(F)(F)C2)c(F)cc1F ZINC000675636782 544324461 /nfs/dbraw/zinc/32/44/61/544324461.db2.gz NHLYCECHHSPOLW-QMMMGPOBSA-N -1 1 311.300 2.739 20 0 DFADMM Cc1cccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)c1O ZINC000675628809 544323489 /nfs/dbraw/zinc/32/34/89/544323489.db2.gz QFJOBVLVEHDCMJ-UHFFFAOYSA-N -1 1 321.354 2.508 20 0 DFADMM Cn1cc([C@H]2CCCN(C(=O)c3ccc(Cl)cc3[O-])C2)cn1 ZINC000681383722 545635414 /nfs/dbraw/zinc/63/54/14/545635414.db2.gz TUSXLERBQOESEY-NSHDSACASA-N -1 1 319.792 2.799 20 0 DFADMM CCc1cccc(CC)c1S(=O)(=O)[N-]c1[nH]nc(C)c1C ZINC000676634357 544389665 /nfs/dbraw/zinc/38/96/65/544389665.db2.gz XWYLCXAEOJUCQY-UHFFFAOYSA-N -1 1 307.419 2.952 20 0 DFADMM O=S(=O)([N-]Cc1ccc(O)cc1)c1cc2ccccc2o1 ZINC000676844182 544409792 /nfs/dbraw/zinc/40/97/92/544409792.db2.gz OGOSTKGTTYAQBT-UHFFFAOYSA-N -1 1 303.339 2.617 20 0 DFADMM CC1(C)CCC[C@H](C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)C1 ZINC000677403493 544482787 /nfs/dbraw/zinc/48/27/87/544482787.db2.gz RHGBURJELDSUND-UONOGXRCSA-N -1 1 313.405 2.622 20 0 DFADMM Cn1cc(C(=O)Nc2ccc(F)cc2[O-])c(-c2ccncc2)n1 ZINC000677589714 544509450 /nfs/dbraw/zinc/50/94/50/544509450.db2.gz NLAVHRZWSBYIBS-UHFFFAOYSA-N -1 1 312.304 2.579 20 0 DFADMM CCn1nc(C)cc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000677843205 544549885 /nfs/dbraw/zinc/54/98/85/544549885.db2.gz SRJCAIFHBYOPPT-UHFFFAOYSA-N -1 1 311.345 2.559 20 0 DFADMM CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)[N-]OCC(C)C ZINC000493909162 299848428 /nfs/dbraw/zinc/84/84/28/299848428.db2.gz UYZHHWQEQCOWOE-HNNXBMFYSA-N -1 1 302.415 2.631 20 0 DFADMM COC[C@H]1CCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000678962588 544757811 /nfs/dbraw/zinc/75/78/11/544757811.db2.gz CDMTWOVDDPYLNC-SNVBAGLBSA-N -1 1 303.280 2.662 20 0 DFADMM Cc1nc(SCc2nc(-c3ccccn3)no2)[n-]c(=O)c1C ZINC000679009735 544766865 /nfs/dbraw/zinc/76/68/65/544766865.db2.gz RPNWNWMTWQPPOM-UHFFFAOYSA-N -1 1 315.358 2.536 20 0 DFADMM O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1cccc(O)c1 ZINC000679636948 544886001 /nfs/dbraw/zinc/88/60/01/544886001.db2.gz YKQWHCNVNJAAOW-UHFFFAOYSA-N -1 1 301.733 2.852 20 0 DFADMM Cc1ccc(-c2noc([N-]Cc3nnc(C(C)C)n3C)n2)cc1 ZINC000302121084 230105955 /nfs/dbraw/zinc/10/59/55/230105955.db2.gz GDKGWGFENJEGFQ-UHFFFAOYSA-N -1 1 312.377 2.909 20 0 DFADMM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccccn1 ZINC000060497183 425898791 /nfs/dbraw/zinc/89/87/91/425898791.db2.gz DRXDIBXSAHBZMQ-MRVPVSSYSA-N -1 1 316.304 2.538 20 0 DFADMM CC(C)n1c(CNC(=O)C2(c3ccccc3)CC2)n[n-]c1=S ZINC000066639247 425905547 /nfs/dbraw/zinc/90/55/47/425905547.db2.gz AMOBNEHNTOTLNO-UHFFFAOYSA-N -1 1 316.430 2.870 20 0 DFADMM CCCc1cc(=O)[n-]c(SCC(=O)c2cc(F)ccc2F)n1 ZINC000007654247 267377140 /nfs/dbraw/zinc/37/71/40/267377140.db2.gz WDRJBZXFNOJFNR-UHFFFAOYSA-N -1 1 324.352 2.976 20 0 DFADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000007323220 425640869 /nfs/dbraw/zinc/64/08/69/425640869.db2.gz URGGSQILYHLXHE-UHFFFAOYSA-N -1 1 319.382 2.891 20 0 DFADMM C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000032473714 425838927 /nfs/dbraw/zinc/83/89/27/425838927.db2.gz CWVGCHRBXVMCBW-NTSWFWBYSA-N -1 1 300.232 2.989 20 0 DFADMM CCn1nc(C)c(S(=O)(=O)[N-]c2cc(F)ccc2F)c1C ZINC000035670852 425844482 /nfs/dbraw/zinc/84/44/82/425844482.db2.gz RNZHMWYNMTXLRG-UHFFFAOYSA-N -1 1 315.345 2.599 20 0 DFADMM CCCc1cc(=O)[n-]c(SCC(=O)Cc2ccccc2)n1 ZINC000037354139 425847639 /nfs/dbraw/zinc/84/76/39/425847639.db2.gz ZDPGJUVTRAKPGN-UHFFFAOYSA-N -1 1 302.399 2.626 20 0 DFADMM C[C@H](Cc1cccs1)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000038565969 425851138 /nfs/dbraw/zinc/85/11/38/425851138.db2.gz VPIBWRALFIWZTA-SECBINFHSA-N -1 1 317.382 2.936 20 0 DFADMM Cc1ccc2c([O-])c(C(=O)N3CCS[C@H](C)CC3)cnc2n1 ZINC000191975839 268020631 /nfs/dbraw/zinc/02/06/31/268020631.db2.gz NYFGMJCVVJWKKL-LLVKDONJSA-N -1 1 317.414 2.611 20 0 DFADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCS[C@H](C)CC1)c2=O ZINC000191975839 268020632 /nfs/dbraw/zinc/02/06/32/268020632.db2.gz NYFGMJCVVJWKKL-LLVKDONJSA-N -1 1 317.414 2.611 20 0 DFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)C1CCCCC1 ZINC000193083837 268058911 /nfs/dbraw/zinc/05/89/11/268058911.db2.gz MXGSZGXCBNNXMC-UHFFFAOYSA-N -1 1 305.422 2.781 20 0 DFADMM CCOc1cc(C(=O)NCc2ccncc2)cc(Cl)c1[O-] ZINC000193152603 268061957 /nfs/dbraw/zinc/06/19/57/268061957.db2.gz DARUGPOZGDNPAC-UHFFFAOYSA-N -1 1 306.749 2.769 20 0 DFADMM O=C(N[C@H](CCc1ccccc1)c1ccccc1)c1cnn[nH]1 ZINC000194205662 268094665 /nfs/dbraw/zinc/09/46/65/268094665.db2.gz AWXATIOSFIUWOS-MRXNPFEDSA-N -1 1 306.369 2.909 20 0 DFADMM CCc1cc(=O)[n-]c(SCCc2ccc3c(c2)CCO3)n1 ZINC000195058203 268126030 /nfs/dbraw/zinc/12/60/30/268126030.db2.gz OYIBXIVCFKSWEY-UHFFFAOYSA-N -1 1 302.399 2.602 20 0 DFADMM CC[C@H](C)N1CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)CC1 ZINC000296983635 268307507 /nfs/dbraw/zinc/30/75/07/268307507.db2.gz PJDGBDYVRIVYOV-JTQLQIEISA-N -1 1 314.788 2.741 20 0 DFADMM COC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccccc1 ZINC000315213162 268342566 /nfs/dbraw/zinc/34/25/66/268342566.db2.gz GHHGANVACXJFPM-AWEZNQCLSA-N -1 1 319.744 2.690 20 0 DFADMM O=C(c1ccc([O-])cc1F)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000317885427 268345547 /nfs/dbraw/zinc/34/55/47/268345547.db2.gz DYUMWTQPCQVUHL-BMFZPTHFSA-N -1 1 307.365 2.687 20 0 DFADMM COc1cc(-c2noc(-c3ccc([O-])cc3F)n2)ccc1O ZINC000318085526 268345946 /nfs/dbraw/zinc/34/59/46/268345946.db2.gz KACPEJRBYUZZSY-UHFFFAOYSA-N -1 1 302.261 2.963 20 0 DFADMM CCCc1cc(=O)[n-]c(SCc2ncccc2C(=O)OC)n1 ZINC000319153575 268346313 /nfs/dbraw/zinc/34/63/13/268346313.db2.gz JQXUXKFZDXHFRO-UHFFFAOYSA-N -1 1 319.386 2.609 20 0 DFADMM CC[C@](C)(CNC(=O)c1cc(Br)ccc1[O-])OC ZINC000323237319 268349470 /nfs/dbraw/zinc/34/94/70/268349470.db2.gz PUDOBLHBUUHQFD-CYBMUJFWSA-N -1 1 316.195 2.700 20 0 DFADMM COc1cc(C(=O)N2CCCC[C@H]2C(N)=O)cc(Cl)c1[O-] ZINC000330641152 268354151 /nfs/dbraw/zinc/35/41/51/268354151.db2.gz DADVBJCWKFPEGQ-JTQLQIEISA-N -1 1 312.753 2.584 20 0 DFADMM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@H]21)c1sccc1Cl ZINC000333061642 268372131 /nfs/dbraw/zinc/37/21/31/268372131.db2.gz IKQXOOKEUDCOJN-JMJZKYOTSA-N -1 1 321.851 2.637 20 0 DFADMM Cc1nc(S(=O)(=O)[N-][C@@H](C)Cc2cccs2)sc1C ZINC000333252153 268386129 /nfs/dbraw/zinc/38/61/29/268386129.db2.gz KNNOKBKZSNMHBB-QMMMGPOBSA-N -1 1 316.473 2.731 20 0 DFADMM Cc1cccc(CNC(=O)c2ccc(Br)cc2[O-])n1 ZINC000049448615 425879336 /nfs/dbraw/zinc/87/93/36/425879336.db2.gz OFEJISQVUQTVTD-UHFFFAOYSA-N -1 1 321.174 2.788 20 0 DFADMM CCN(C)C(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000071867790 425996183 /nfs/dbraw/zinc/99/61/83/425996183.db2.gz OSPVVHOQPMTSMH-UHFFFAOYSA-N -1 1 304.419 2.785 20 0 DFADMM Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)c1 ZINC000336849431 268439363 /nfs/dbraw/zinc/43/93/63/268439363.db2.gz DMEUWDODDJWRSI-UHFFFAOYSA-N -1 1 321.354 2.508 20 0 DFADMM O=S(=O)([N-]c1cccc(-c2ncon2)c1)c1ccccc1 ZINC000158760497 425946836 /nfs/dbraw/zinc/94/68/36/425946836.db2.gz ZTTCJWYKGGYTNL-UHFFFAOYSA-N -1 1 301.327 2.537 20 0 DFADMM CC(C)C[C@H](C)OCCC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000125441467 425971778 /nfs/dbraw/zinc/97/17/78/425971778.db2.gz KHLSIPTWMVBKJR-QMMMGPOBSA-N -1 1 308.304 2.603 20 0 DFADMM CC(C)C[C@@H](C)OCCC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000125441364 425972060 /nfs/dbraw/zinc/97/20/60/425972060.db2.gz KHLSIPTWMVBKJR-MRVPVSSYSA-N -1 1 308.304 2.603 20 0 DFADMM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2nc(-c3ccco3)n[nH]2)c1 ZINC000106904177 425980071 /nfs/dbraw/zinc/98/00/71/425980071.db2.gz YOLGVZQPLXHYOG-OLZOCXBDSA-N -1 1 324.340 2.816 20 0 DFADMM C[C@@H](CNC(=O)c1c([O-])cccc1F)Oc1ccccc1F ZINC000126683441 426031960 /nfs/dbraw/zinc/03/19/60/426031960.db2.gz BJKKNLUVIUAOMM-JTQLQIEISA-N -1 1 307.296 2.868 20 0 DFADMM O=C(Nc1ccc(N2CCCCC2)cn1)c1ccc(O)cc1[O-] ZINC000110309154 426034038 /nfs/dbraw/zinc/03/40/38/426034038.db2.gz QAVFRVSZLJIKTN-UHFFFAOYSA-N -1 1 313.357 2.735 20 0 DFADMM CCc1ccc([C@@H](C)NC(=O)c2nc3ccccc3c(=O)[n-]2)cc1 ZINC000074272235 426044572 /nfs/dbraw/zinc/04/45/72/426044572.db2.gz VWFCUPIXJAUPML-GFCCVEGCSA-N -1 1 321.380 2.977 20 0 DFADMM CSC[C@H](C)NC(=O)c1ccc(Br)c([O-])c1 ZINC000161970269 426047661 /nfs/dbraw/zinc/04/76/61/426047661.db2.gz DILZHRMHRCNHQK-ZETCQYMHSA-N -1 1 304.209 2.636 20 0 DFADMM O=C(CSc1ccccc1)Nc1nc(-c2ccccn2)n[nH]1 ZINC000127442641 426066549 /nfs/dbraw/zinc/06/65/49/426066549.db2.gz XVJHOWYDCHVPIR-UHFFFAOYSA-N -1 1 311.370 2.598 20 0 DFADMM O=S(=O)(Cc1ccn(-c2ccccc2)n1)c1ccc([O-])cc1 ZINC000108593141 426019118 /nfs/dbraw/zinc/01/91/18/426019118.db2.gz ASNQVPGKABLPHA-UHFFFAOYSA-N -1 1 314.366 2.552 20 0 DFADMM CC[C@@H](Cc1ccccc1)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000075961421 426090695 /nfs/dbraw/zinc/09/06/95/426090695.db2.gz SYOWWKAGTRLLBL-AWEZNQCLSA-N -1 1 321.380 2.674 20 0 DFADMM CN(CCC(=O)OC(C)(C)C)C(=O)c1cc(Cl)ccc1[O-] ZINC000163485931 426101413 /nfs/dbraw/zinc/10/14/13/426101413.db2.gz AHMLGLPNFVMVMK-UHFFFAOYSA-N -1 1 313.781 2.849 20 0 DFADMM CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc([O-])c(Cl)c1 ZINC000076229553 426104432 /nfs/dbraw/zinc/10/44/32/426104432.db2.gz UCCMBHSVQRFUIK-CYBMUJFWSA-N -1 1 324.764 2.579 20 0 DFADMM Cc1ccccc1-c1noc([C@@H](C)N2CCC[C@H](C(=O)[O-])C2)n1 ZINC000164560889 426116157 /nfs/dbraw/zinc/11/61/57/426116157.db2.gz OWHYWMZSLYNIFC-OLZOCXBDSA-N -1 1 315.373 2.903 20 0 DFADMM Cc1cc(S(=O)(=O)[N-]c2ncccc2Cl)ccc1F ZINC000128631365 426126270 /nfs/dbraw/zinc/12/62/70/426126270.db2.gz RCHSSJHWLQFUTF-UHFFFAOYSA-N -1 1 300.742 2.983 20 0 DFADMM CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000128785218 426132326 /nfs/dbraw/zinc/13/23/26/426132326.db2.gz FMSVLZKYAMDSEE-LBPRGKRZSA-N -1 1 311.403 2.508 20 0 DFADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(C(N)=O)c(Cl)c1 ZINC000112334555 426073038 /nfs/dbraw/zinc/07/30/38/426073038.db2.gz JGEVUVSJCYFQJH-UHFFFAOYSA-N -1 1 324.789 2.548 20 0 DFADMM CC(C)(C)[S@@](=O)CCNC(=O)c1ccc2ccccc2c1[O-] ZINC000112394406 426075966 /nfs/dbraw/zinc/07/59/66/426075966.db2.gz BKBLXWRJEHUEIA-JOCHJYFZSA-N -1 1 319.426 2.822 20 0 DFADMM O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)c1c([O-])cccc1F ZINC000127683252 426079669 /nfs/dbraw/zinc/07/96/69/426079669.db2.gz CIDYDUKMQDYEDP-OLZOCXBDSA-N -1 1 303.337 2.642 20 0 DFADMM O=S(=O)([N-][C@@H]1C=CCCC1)c1sccc1Br ZINC000127770070 426085479 /nfs/dbraw/zinc/08/54/79/426085479.db2.gz QCAZVSURSLHCPE-MRVPVSSYSA-N -1 1 322.249 2.898 20 0 DFADMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000077688350 426145201 /nfs/dbraw/zinc/14/52/01/426145201.db2.gz LXVCEJNJJNHHLB-UHFFFAOYSA-N -1 1 324.789 2.548 20 0 DFADMM CCO[C@@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccccc1 ZINC000170849617 426153925 /nfs/dbraw/zinc/15/39/25/426153925.db2.gz KRBIKLCDKRBNKT-SECBINFHSA-N -1 1 314.267 2.540 20 0 DFADMM O=C(Nc1ccc(F)cc1[O-])c1coc(C2CCOCC2)n1 ZINC000338415699 268673393 /nfs/dbraw/zinc/67/33/93/268673393.db2.gz KAQPSAJPSCKEET-UHFFFAOYSA-N -1 1 306.293 2.666 20 0 DFADMM CCN(C(=O)c1nc2ccccc2c(=O)[n-]1)[C@H](C)c1cccnc1 ZINC000115638684 426169686 /nfs/dbraw/zinc/16/96/86/426169686.db2.gz PGYNRWZNNKJOQF-GFCCVEGCSA-N -1 1 322.368 2.541 20 0 DFADMM C[C@H]1CCC[C@@H](CCNC(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000115640313 426169709 /nfs/dbraw/zinc/16/97/09/426169709.db2.gz DFEZKPFBLFCXFR-STQMWFEESA-N -1 1 313.401 2.869 20 0 DFADMM COc1ccc(CCCN(C)C(=O)c2ncccc2[O-])cc1 ZINC000171267907 426180330 /nfs/dbraw/zinc/18/03/30/426180330.db2.gz 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/nfs/dbraw/zinc/22/61/80/426226180.db2.gz SMZQCSAKDKABOA-UHFFFAOYSA-N -1 1 323.106 2.673 20 0 DFADMM Cc1nc2ccccc2n1CCNC(=O)c1cc(F)ccc1[O-] ZINC000081932262 426226730 /nfs/dbraw/zinc/22/67/30/426226730.db2.gz SGURZEIPXMIQQR-UHFFFAOYSA-N -1 1 313.332 2.619 20 0 DFADMM C[C@H]1CN2CCCC[C@@H]2CN1C(=O)c1ccc([O-])c(Cl)c1 ZINC000083704956 426230839 /nfs/dbraw/zinc/23/08/39/426230839.db2.gz XFGLDYZGBCYSFJ-WCQYABFASA-N -1 1 308.809 2.744 20 0 DFADMM COc1ccc(S(=O)(=O)[N-]c2cnccc2C)c(C)c1C ZINC000085235423 426249284 /nfs/dbraw/zinc/24/92/84/426249284.db2.gz OJZAJIFQKTYSSD-UHFFFAOYSA-N -1 1 306.387 2.816 20 0 DFADMM CCc1nc(S(=O)(=O)Cc2ccc(Cl)cc2Cl)n[n-]1 ZINC000086170462 426255743 /nfs/dbraw/zinc/25/57/43/426255743.db2.gz AXRPYHQWKVQLLW-UHFFFAOYSA-N -1 1 320.201 2.648 20 0 DFADMM Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1cncc([O-])c1 ZINC000119089190 426261391 /nfs/dbraw/zinc/26/13/91/426261391.db2.gz VTJWVFLUDRHGBP-SNVBAGLBSA-N -1 1 302.378 2.538 20 0 DFADMM Cc1ccc2c([O-])c(C(=O)N[C@H](C)c3cccnc3)cnc2n1 ZINC000135283838 426212019 /nfs/dbraw/zinc/21/20/19/426212019.db2.gz FVFCWYCEILXSSB-LLVKDONJSA-N -1 1 308.341 2.530 20 0 DFADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@H](C)c1cccnc1)c2=O ZINC000135283838 426212023 /nfs/dbraw/zinc/21/20/23/426212023.db2.gz FVFCWYCEILXSSB-LLVKDONJSA-N -1 1 308.341 2.530 20 0 DFADMM COc1ccccc1C[C@@H]1CCCN1C(=O)c1cncc([O-])c1 ZINC000171867881 426216258 /nfs/dbraw/zinc/21/62/58/426216258.db2.gz CXHGVVSXAOQPQU-HNNXBMFYSA-N -1 1 312.369 2.643 20 0 DFADMM Cc1cccc([C@@H](C)C(=O)Nc2cc(-c3nccn3C)n[nH]2)c1 ZINC000119441100 426289139 /nfs/dbraw/zinc/28/91/39/426289139.db2.gz VFGXDDHNSDHLHR-GFCCVEGCSA-N -1 1 309.373 2.861 20 0 DFADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@H](Oc2cccnc2)C1 ZINC000151531731 426300619 /nfs/dbraw/zinc/30/06/19/426300619.db2.gz RSNGRDFBLVCPAX-CYBMUJFWSA-N -1 1 318.760 2.734 20 0 DFADMM COC(=O)C[C@H](NC(=O)c1c([O-])cccc1F)c1ccccc1 ZINC000119901546 426304052 /nfs/dbraw/zinc/30/40/52/426304052.db2.gz ADLLNWCWGYXHNU-ZDUSSCGKSA-N -1 1 317.316 2.566 20 0 DFADMM COc1ccc(CCCNC(=O)c2c([O-])cccc2F)cc1 ZINC000120498616 426311750 /nfs/dbraw/zinc/31/17/50/426311750.db2.gz JBLLLUVIXDMVTL-UHFFFAOYSA-N -1 1 303.333 2.903 20 0 DFADMM O=c1cc(C(F)(F)F)nc(CNc2cc(F)cc(F)c2)[n-]1 ZINC000090371155 426325986 /nfs/dbraw/zinc/32/59/86/426325986.db2.gz DQVTWZFDWZSZPM-UHFFFAOYSA-N -1 1 305.206 2.679 20 0 DFADMM O=C(NC[C@@H](CO)c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000088404140 426276260 /nfs/dbraw/zinc/27/62/60/426276260.db2.gz AHZKFCXFIYFIEY-LBPRGKRZSA-N -1 1 305.761 2.552 20 0 DFADMM CCC(=O)c1cccc(NC(=O)c2cnc3c(cnn3C)c2O)c1 ZINC000119395517 426285460 /nfs/dbraw/zinc/28/54/60/426285460.db2.gz WKBUXGWKKRQDBE-UHFFFAOYSA-N -1 1 324.340 2.519 20 0 DFADMM CCC(=O)c1cccc(NC(=O)c2cnc3n(C)[nH]cc-3c2=O)c1 ZINC000119395517 426285466 /nfs/dbraw/zinc/28/54/66/426285466.db2.gz WKBUXGWKKRQDBE-UHFFFAOYSA-N -1 1 324.340 2.519 20 0 DFADMM O=C(N[C@@H]1CCCC[C@H]1n1cccn1)c1cc(F)ccc1[O-] ZINC000091992186 426345861 /nfs/dbraw/zinc/34/58/61/426345861.db2.gz XMUHNWBNMCPZSV-ZIAGYGMSSA-N -1 1 303.337 2.642 20 0 DFADMM C[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc2c(c1)CCC(=O)N2 ZINC000176022288 426346509 /nfs/dbraw/zinc/34/65/09/426346509.db2.gz DBOBCUXDZRJZAC-ZETCQYMHSA-N -1 1 318.270 2.649 20 0 DFADMM O=C(N[C@H]1c2ccccc2C[C@H]1O)c1cc2ccccc2cc1[O-] ZINC000092765186 426352682 /nfs/dbraw/zinc/35/26/82/426352682.db2.gz VTYPURWBBSYARD-MOPGFXCFSA-N -1 1 319.360 2.934 20 0 DFADMM CCn1cnnc1-c1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000121957537 426356584 /nfs/dbraw/zinc/35/65/84/426356584.db2.gz MWEFFJMZIZSOQE-UHFFFAOYSA-N -1 1 308.341 2.923 20 0 DFADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccc(NC(N)=O)cc1 ZINC000093964916 426360224 /nfs/dbraw/zinc/36/02/24/426360224.db2.gz HKNSQPCKMKWAMC-VIFPVBQESA-N -1 1 317.320 2.513 20 0 DFADMM Cc1c(C[S@@](C)=O)cccc1NC(=O)c1cc(F)ccc1[O-] ZINC000094154291 426361555 /nfs/dbraw/zinc/36/15/55/426361555.db2.gz SIVOZGZTZCAVTI-QFIPXVFZSA-N -1 1 321.373 2.971 20 0 DFADMM CCC[C@@]1(C)CCCN(C(=O)c2c(C)[n-]c(=O)nc2SC)C1 ZINC000176491932 426387534 /nfs/dbraw/zinc/38/75/34/426387534.db2.gz KWOXKBFDSCMVJM-INIZCTEOSA-N -1 1 323.462 2.843 20 0 DFADMM CCC[C@@H](NC(=O)c1cc2cc(F)ccc2s1)c1nn[n-]n1 ZINC000176742779 426410362 /nfs/dbraw/zinc/41/03/62/426410362.db2.gz WJINLUCMNXUFAK-SNVBAGLBSA-N -1 1 319.365 2.825 20 0 DFADMM CCC[C@H](NC(=O)C=Cc1ccc([C@@H]2C[C@@H]2C)o1)c1nn[n-]n1 ZINC000176756166 426411286 /nfs/dbraw/zinc/41/12/86/426411286.db2.gz URQCZYNEMQCCNB-KBYQYCLXSA-N -1 1 315.377 2.587 20 0 DFADMM CCC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl)c1nn[n-]n1 ZINC000176755003 426411831 /nfs/dbraw/zinc/41/18/31/426411831.db2.gz ZJIMUCBQKWCDKR-MDZLAQPJSA-N -1 1 319.796 2.614 20 0 DFADMM COc1cc(C(=O)NCC(C)(C)C[C@@H](C)O)cc(Cl)c1[O-] ZINC000153925099 426413398 /nfs/dbraw/zinc/41/33/98/426413398.db2.gz FKIWIBOHBVTXDA-SECBINFHSA-N -1 1 315.797 2.581 20 0 DFADMM CCC[C@@H](NC(=O)C=Cc1ccc(Cl)s1)c1nn[n-]n1 ZINC000176787038 426415162 /nfs/dbraw/zinc/41/51/62/426415162.db2.gz YAQMDVSDKQXTMA-VPIOIWJLSA-N -1 1 311.798 2.585 20 0 DFADMM CCC(CC)n1nccc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000123385437 426430653 /nfs/dbraw/zinc/43/06/53/426430653.db2.gz RFYXYQKTDFYCTC-UHFFFAOYSA-N -1 1 316.287 2.633 20 0 DFADMM O=C(NCCCNc1cccc(F)c1)c1c([O-])cccc1F ZINC000123458871 426435421 /nfs/dbraw/zinc/43/54/21/426435421.db2.gz UZRSQVXIPLNMTI-UHFFFAOYSA-N -1 1 306.312 2.902 20 0 DFADMM O=C(N[C@@H]1CCC[C@@H]1F)c1ccc(Br)c([O-])c1 ZINC000340782772 269012733 /nfs/dbraw/zinc/01/27/33/269012733.db2.gz JOODBPWAHZHKGO-VHSXEESVSA-N -1 1 302.143 2.775 20 0 DFADMM CC(C)c1scnc1[N-]S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000341081962 269041010 /nfs/dbraw/zinc/04/10/10/269041010.db2.gz BJSAFNSAJQIKSL-GHMZBOCLSA-N -1 1 317.480 2.901 20 0 DFADMM COCc1ncsc1C(=O)[N-]c1c(F)cc(F)cc1F ZINC000341421541 269074482 /nfs/dbraw/zinc/07/44/82/269074482.db2.gz PLDMFINOCNDYPA-UHFFFAOYSA-N -1 1 302.277 2.959 20 0 DFADMM Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccc([O-])cc2F)o1 ZINC000154835520 426457846 /nfs/dbraw/zinc/45/78/46/426457846.db2.gz BXAAMLDGUMPIJV-UHFFFAOYSA-N -1 1 320.364 2.637 20 0 DFADMM O=C(CC(F)(F)F)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000097406315 426466701 /nfs/dbraw/zinc/46/67/01/426466701.db2.gz VVNBBUAQMPZBKS-UHFFFAOYSA-N -1 1 315.291 2.766 20 0 DFADMM O=S(=O)([N-][C@H]1CCCc2occc21)c1cccc(F)c1F ZINC000101570642 426484852 /nfs/dbraw/zinc/48/48/52/426484852.db2.gz SIIRACCZWLAPAS-NSHDSACASA-N -1 1 313.325 2.914 20 0 DFADMM CN(CCC1CCCCC1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000101603880 426485003 /nfs/dbraw/zinc/48/50/03/426485003.db2.gz MEXUNDCFHFIPOP-UHFFFAOYSA-N -1 1 313.401 2.966 20 0 DFADMM CC[C@H](C)CN(CC)C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000177991083 426551193 /nfs/dbraw/zinc/55/11/93/426551193.db2.gz SBHQFQFVCDWMDI-NSHDSACASA-N -1 1 307.438 2.884 20 0 DFADMM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000186161152 426489915 /nfs/dbraw/zinc/48/99/15/426489915.db2.gz YFAOSWSRXGHXNG-RYUDHWBXSA-N -1 1 318.377 2.989 20 0 DFADMM COC1(C[N-]S(=O)(=O)c2cc(F)ccc2F)CCCCC1 ZINC000186273723 426499008 /nfs/dbraw/zinc/49/90/08/426499008.db2.gz IBUPOCNYYRPNDH-UHFFFAOYSA-N -1 1 319.373 2.592 20 0 DFADMM CCCCOCCNC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000186714130 426584215 /nfs/dbraw/zinc/58/42/15/426584215.db2.gz WDXJTWFOPQJHQQ-UHFFFAOYSA-N -1 1 315.797 2.991 20 0 DFADMM C[C@H](NC(=O)c1c([O-])cccc1F)c1nc2ccccc2n1C ZINC000186717230 426584346 /nfs/dbraw/zinc/58/43/46/426584346.db2.gz NIRPSSCZNBUKDS-JTQLQIEISA-N -1 1 313.332 2.909 20 0 DFADMM CC(F)(F)C(=O)[N-][C@H]1COc2cc(F)c(Br)cc21 ZINC000289291154 426621246 /nfs/dbraw/zinc/62/12/46/426621246.db2.gz UJLXELHUKPPQCC-QMMMGPOBSA-N -1 1 324.096 2.793 20 0 DFADMM CC1(C[N-]S(=O)(=O)c2sccc2Br)CC1 ZINC000224009410 426592240 /nfs/dbraw/zinc/59/22/40/426592240.db2.gz BBZYDMBKECEGLW-UHFFFAOYSA-N -1 1 310.238 2.589 20 0 DFADMM COC1(CNC(=O)c2c(F)ccc([O-])c2F)CCC(C)CC1 ZINC000289265445 426616891 /nfs/dbraw/zinc/61/68/91/426616891.db2.gz CLAJWDVUJIMFLI-UHFFFAOYSA-N -1 1 313.344 2.996 20 0 DFADMM CCCc1cc([N-]S(=O)(=O)c2ccccc2SC)[nH]n1 ZINC000186998185 426618264 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Cc1nccnc1CN1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000634693374 430080263 /nfs/dbraw/zinc/08/02/63/430080263.db2.gz WRHDIGMLBJXYGW-ZBFHGGJFSA-N -1 1 303.406 2.640 20 0 DFADMM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2nc(C3CCC3)no2)C1 ZINC000634692946 430080980 /nfs/dbraw/zinc/08/09/80/430080980.db2.gz NEPFYHOZAVFPNE-LBPRGKRZSA-N -1 1 307.394 2.660 20 0 DFADMM CCC[C@H](C)[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000580777708 430152609 /nfs/dbraw/zinc/15/26/09/430152609.db2.gz DQXAIOYUSARNSA-CABZTGNLSA-N -1 1 323.817 2.555 20 0 DFADMM Cc1nc(-c2ccc(N[C@@H]3CCOC3(C)C)nc2)[n-]c(=O)c1C ZINC000562703394 430168968 /nfs/dbraw/zinc/16/89/68/430168968.db2.gz NQBKWUQBFUOIOA-CYBMUJFWSA-N -1 1 314.389 2.840 20 0 DFADMM CCO[C@H](CS(=O)(=O)[N-]c1cccc2cnccc21)C1CC1 ZINC000634798333 430116523 /nfs/dbraw/zinc/11/65/23/430116523.db2.gz TXCMNBZOFCQXMV-MRXNPFEDSA-N -1 1 320.414 2.792 20 0 DFADMM CC(C)CCN1Cc2cccc(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])c2C1 ZINC000634820816 430122449 /nfs/dbraw/zinc/12/24/49/430122449.db2.gz FXIKMGHLVCTAGZ-ZIAGYGMSSA-N -1 1 316.401 2.708 20 0 DFADMM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc3ccccc3o2)C1(C)C ZINC000530770812 430124211 /nfs/dbraw/zinc/12/42/11/430124211.db2.gz CNLBFTNSUBENSO-STQMWFEESA-N -1 1 309.387 2.525 20 0 DFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CC12CCCC2 ZINC000562386711 430126539 /nfs/dbraw/zinc/12/65/39/430126539.db2.gz ZQCWTRCXCIJCKC-NSHDSACASA-N -1 1 303.406 2.851 20 0 DFADMM O=C(N[C@H]1CCO[C@@H]1c1ccncc1)c1ccc(Cl)cc1[O-] ZINC000562412890 430129177 /nfs/dbraw/zinc/12/91/77/430129177.db2.gz ROCAEFKQJBDSFK-DZGCQCFKSA-N -1 1 318.760 2.701 20 0 DFADMM C[C@@H](NC(=O)CCCc1nn[n-]n1)c1ccc2ccccc2c1 ZINC000635114038 430212148 /nfs/dbraw/zinc/21/21/48/430212148.db2.gz YHBJKUIFUPFRLB-GFCCVEGCSA-N -1 1 309.373 2.553 20 0 DFADMM CCN1CCN(C(=O)c2cccc(C(F)(F)F)c2[O-])[C@@H](C)C1 ZINC000581557077 430218464 /nfs/dbraw/zinc/21/84/64/430218464.db2.gz AJCBIOCPRQSXQQ-JTQLQIEISA-N -1 1 316.323 2.577 20 0 DFADMM Cn1nc(C(=O)[O-])cc1CN(Cc1ccccc1)C(C)(C)C ZINC000635300118 430247334 /nfs/dbraw/zinc/24/73/34/430247334.db2.gz KBWVGCMKSFDLGJ-UHFFFAOYSA-N -1 1 301.390 2.919 20 0 DFADMM CC(C)[C@@H](c1ccccc1)N(C)Cc1cc(C(=O)[O-])nn1C ZINC000635301831 430248280 /nfs/dbraw/zinc/24/82/80/430248280.db2.gz AHFQKUSHOTXXHG-INIZCTEOSA-N -1 1 301.390 2.947 20 0 DFADMM O=C([O-])c1csc(CN2CC[C@H](Cc3ccccc3)C2)n1 ZINC000581889495 430248594 /nfs/dbraw/zinc/24/85/94/430248594.db2.gz YBXDWUGPSOYKQM-CYBMUJFWSA-N -1 1 302.399 2.906 20 0 DFADMM CCCCO[C@@H]1C[C@@H](N(C)Cc2oncc2C(=O)[O-])C1(C)C ZINC000566360773 430253491 /nfs/dbraw/zinc/25/34/91/430253491.db2.gz AXLMOMZDXDRXFJ-ZIAGYGMSSA-N -1 1 310.394 2.788 20 0 DFADMM CCCn1ccc2cc(NC(=O)CCCc3nn[n-]n3)ccc21 ZINC000635460033 430285035 /nfs/dbraw/zinc/28/50/35/430285035.db2.gz RTXXSCLTGDCWLG-UHFFFAOYSA-N -1 1 312.377 2.526 20 0 DFADMM Cc1ccc2ncc(CN3CCC[C@@H](c4n[nH]c(=O)[n-]4)C3)cc2c1 ZINC000582287451 430285170 /nfs/dbraw/zinc/28/51/70/430285170.db2.gz AGXVSHPDZSPVDT-CQSZACIVSA-N -1 1 323.400 2.747 20 0 DFADMM O=C([O-])Cc1ccc(NC(=O)c2cc(F)cc3[nH]cnc32)cc1 ZINC000544391609 430281004 /nfs/dbraw/zinc/28/10/04/430281004.db2.gz NPYYUWGWVGIMDF-UHFFFAOYSA-N -1 1 313.288 2.581 20 0 DFADMM Cc1nnc([C@H]2CCN(C(=O)c3cc4ccccc4cc3[O-])C2)[nH]1 ZINC000581713021 430234227 /nfs/dbraw/zinc/23/42/27/430234227.db2.gz OCMCHXBEOXXTIP-AWEZNQCLSA-N -1 1 322.368 2.602 20 0 DFADMM Cc1ccc(CC[N@@H+](CCOCC(=O)[O-])Cc2ccco2)cc1 ZINC000566072970 430238965 /nfs/dbraw/zinc/23/89/65/430238965.db2.gz BMLIYUNQOMCVIT-UHFFFAOYSA-N -1 1 317.385 2.734 20 0 DFADMM C[C@@H](c1ccc(C(=O)[O-])o1)[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000566073644 430239173 /nfs/dbraw/zinc/23/91/73/430239173.db2.gz HQRBCLIOSHDUNE-NWDGAFQWSA-N -1 1 317.341 2.811 20 0 DFADMM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)C[C@@H]1COc2ccccc2O1 ZINC000566073644 430239179 /nfs/dbraw/zinc/23/91/79/430239179.db2.gz HQRBCLIOSHDUNE-NWDGAFQWSA-N -1 1 317.341 2.811 20 0 DFADMM Cc1ccccc1-c1noc([C@H](C)[N@H+]2CC[C@](C)(C(=O)[O-])C2)n1 ZINC000566075161 430239215 /nfs/dbraw/zinc/23/92/15/430239215.db2.gz WYVDSJSXYVIIDI-SJCJKPOMSA-N -1 1 315.373 2.903 20 0 DFADMM Cc1ccc(C)c([C@H]2CCCN2C(=O)CCCc2nn[n-]n2)c1 ZINC000635690719 430349823 /nfs/dbraw/zinc/34/98/23/430349823.db2.gz WDGOQESABUEELP-OAHLLOKOSA-N -1 1 313.405 2.503 20 0 DFADMM CC(C)c1ccc(C(C)(C)NC(=O)CCCc2nn[n-]n2)cc1 ZINC000635503317 430295911 /nfs/dbraw/zinc/29/59/11/430295911.db2.gz JSVPDVOWTIIFMV-UHFFFAOYSA-N -1 1 315.421 2.697 20 0 DFADMM O=C([O-])CCN(Cc1cc(F)ccc1Cl)C[C@@H]1CCCO1 ZINC000568058270 430311412 /nfs/dbraw/zinc/31/14/12/430311412.db2.gz LOEFXBXTJQZLDD-ZDUSSCGKSA-N -1 1 315.772 2.935 20 0 DFADMM CN(CCc1cnccn1)Cc1cccc(C(=O)[O-])c1Cl ZINC000568064985 430312432 /nfs/dbraw/zinc/31/24/32/430312432.db2.gz XJDSRZXKEDUAMW-UHFFFAOYSA-N -1 1 305.765 2.503 20 0 DFADMM COc1ncccc1CN(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000568098889 430317534 /nfs/dbraw/zinc/31/75/34/430317534.db2.gz YBZXAWVFZDDFRE-CQSZACIVSA-N -1 1 314.385 2.813 20 0 DFADMM CC(C)(C)c1ccc(C(=O)NC2(c3nn[n-]n3)CC2)cc1Cl ZINC000568137260 430320596 /nfs/dbraw/zinc/32/05/96/430320596.db2.gz GUYJOLYVBNACDG-UHFFFAOYSA-N -1 1 319.796 2.570 20 0 DFADMM Cc1n[nH]c(C(C)C)c1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000582709653 430324619 /nfs/dbraw/zinc/32/46/19/430324619.db2.gz QVTUGHSTHDUYSZ-UHFFFAOYSA-N -1 1 301.346 2.721 20 0 DFADMM Cc1cc(C)c(NC(=O)CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)c(C)c1 ZINC000568391044 430354114 /nfs/dbraw/zinc/35/41/14/430354114.db2.gz YBZLJLLXVXCIDZ-WFASDCNBSA-N -1 1 318.417 2.593 20 0 DFADMM CC[C@@H](C(=O)N1CCC[C@@H](c2nn[n-]n2)C1)C1CCC(C)CC1 ZINC000546602650 430357490 /nfs/dbraw/zinc/35/74/90/430357490.db2.gz CFPSLYRZVMWTMZ-NEXFUWMNSA-N -1 1 319.453 2.758 20 0 DFADMM CC(=O)[C@@H]([N-]S(=O)(=O)CC1(C)CCC1)c1ccccc1F ZINC000641537174 430417104 /nfs/dbraw/zinc/41/71/04/430417104.db2.gz CGIZBIQRRPKQIW-CQSZACIVSA-N -1 1 313.394 2.565 20 0 DFADMM CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000583087393 430362815 /nfs/dbraw/zinc/36/28/15/430362815.db2.gz TWNQRLXMBXOJES-NSHDSACASA-N -1 1 323.343 2.836 20 0 DFADMM C[C@@H]1CCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000641245719 430367806 /nfs/dbraw/zinc/36/78/06/430367806.db2.gz WYMKPCSUOPCTME-MRVPVSSYSA-N -1 1 321.174 2.937 20 0 DFADMM Cc1nc(NC(=O)[C@@H](C)Sc2ncc(C)c(=O)[n-]2)sc1C ZINC000583215607 430376293 /nfs/dbraw/zinc/37/62/93/430376293.db2.gz VIXNVVYVUWHTBK-SECBINFHSA-N -1 1 324.431 2.683 20 0 DFADMM COc1ccc2c(c1)[n-]cc(C(=O)N1CC(C)=C[C@@H](C)C1)c2=O ZINC000583241833 430376581 /nfs/dbraw/zinc/37/65/81/430376581.db2.gz LDLRCUSNUCBRRO-LLVKDONJSA-N -1 1 312.369 2.575 20 0 DFADMM Cc1nnc([C@@H](C)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)s1 ZINC000583267661 430378689 /nfs/dbraw/zinc/37/86/89/430378689.db2.gz AZHUHSBTGGHZIV-BZNIZROVSA-N -1 1 317.414 2.636 20 0 DFADMM CCC(C)(C)c1ccc(NC(=O)CCCc2nn[n-]n2)cc1 ZINC000635873857 430401235 /nfs/dbraw/zinc/40/12/35/430401235.db2.gz KJXGBRKNMFQTRK-UHFFFAOYSA-N -1 1 301.394 2.849 20 0 DFADMM CC(C)c1ccccc1NC(=O)CN1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000568883079 430401616 /nfs/dbraw/zinc/40/16/16/430401616.db2.gz OFHVPVMNUJSEJZ-HIFRSBDPSA-N -1 1 318.417 2.791 20 0 DFADMM CCn1cc(N(CC(C)C)C(=O)c2ccc(OC)cc2[O-])cn1 ZINC000636005192 430436129 /nfs/dbraw/zinc/43/61/29/430436129.db2.gz QENCZNMGYHFZOZ-UHFFFAOYSA-N -1 1 317.389 2.920 20 0 DFADMM C[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(F)F ZINC000641702941 430446000 /nfs/dbraw/zinc/44/60/00/430446000.db2.gz XMITXFBAHVXJNG-YFKPBYRVSA-N -1 1 321.242 2.776 20 0 DFADMM CCc1nc(S[C@H](C)C(=O)NC2CCCC2)[n-]c(=O)c1C ZINC000569473272 430457848 /nfs/dbraw/zinc/45/78/48/430457848.db2.gz XSBJVFTXFZNQFL-SNVBAGLBSA-N -1 1 309.435 2.592 20 0 DFADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H](n2ccnn2)CC1 ZINC000636188220 430481734 /nfs/dbraw/zinc/48/17/34/430481734.db2.gz GVIXILJBAADRDM-LBPRGKRZSA-N -1 1 320.780 2.505 20 0 DFADMM C[C@@H](NC(=O)CN1CCC[C@@H](CC(=O)[O-])CC1)c1cccs1 ZINC000641795087 430474270 /nfs/dbraw/zinc/47/42/70/430474270.db2.gz DTYYKDUMSIOQBW-CHWSQXEVSA-N -1 1 324.446 2.502 20 0 DFADMM C[C@H](CC(=O)[O-])N(C)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000569869187 430493089 /nfs/dbraw/zinc/49/30/89/430493089.db2.gz QVZKCEUMOTXRJG-SECBINFHSA-N -1 1 321.764 2.665 20 0 DFADMM COC[C@@]1(C(=O)[O-])CCCN(Cc2csc(C(C)C)n2)C1 ZINC000569935006 430499876 /nfs/dbraw/zinc/49/98/76/430499876.db2.gz DPKBGQPFKBZXOH-OAHLLOKOSA-N -1 1 312.435 2.580 20 0 DFADMM CCc1nc(C)c(C(=O)[N-]c2nnc([C@@H]3CCCO3)s2)o1 ZINC000636358423 430523278 /nfs/dbraw/zinc/52/32/78/430523278.db2.gz SFSHXWYRCMUUEQ-QMMMGPOBSA-N -1 1 308.363 2.501 20 0 DFADMM CCc1ccc(C(=O)Nc2nnc([C@H]3CCCO3)s2)c([O-])c1 ZINC000636358889 430523747 /nfs/dbraw/zinc/52/37/47/430523747.db2.gz NNCYZIOSXSNBQH-GFCCVEGCSA-N -1 1 319.386 2.910 20 0 DFADMM CC(F)(F)C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000549514653 430527955 /nfs/dbraw/zinc/52/79/55/430527955.db2.gz XCSKNJUYDUWIHW-UHFFFAOYSA-N -1 1 304.145 2.927 20 0 DFADMM C[C@H]1C[C@@H](CO)CCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000636397212 430535135 /nfs/dbraw/zinc/53/51/35/430535135.db2.gz YEIROZHEILBXEX-UWVGGRQHSA-N -1 1 317.307 2.644 20 0 DFADMM O=C(NCCCCF)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000643442376 430601493 /nfs/dbraw/zinc/60/14/93/430601493.db2.gz VMHAQXFPEXAEHN-UHFFFAOYSA-N -1 1 322.380 2.746 20 0 DFADMM Cc1[nH]nc([N-]S(=O)(=O)CCc2cccc(Cl)c2)c1C ZINC000552022533 430580061 /nfs/dbraw/zinc/58/00/61/430580061.db2.gz MXIDIGIOJZSYBT-UHFFFAOYSA-N -1 1 313.810 2.664 20 0 DFADMM O=C(Nc1cc(C2CC2)[nH]n1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000616333856 430584429 /nfs/dbraw/zinc/58/44/29/430584429.db2.gz IVVOGRSWCHHOGG-UHFFFAOYSA-N -1 1 311.263 3.264 20 0 DFADMM O=C([O-])CCC(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000554070094 430628042 /nfs/dbraw/zinc/62/80/42/430628042.db2.gz JFJYWNZYTFEKHK-SFHVURJKSA-N -1 1 323.352 2.633 20 0 DFADMM O=C(NCc1ncc(-c2ccccc2)o1)C(=O)c1ccc([O-])cc1 ZINC000554503690 430639365 /nfs/dbraw/zinc/63/93/65/430639365.db2.gz DDOAPVFHNLGFQA-UHFFFAOYSA-N -1 1 322.320 2.546 20 0 DFADMM CCn1cc(C[N@@H+](C)CC[C@@H](C(=O)[O-])c2ccccc2)cn1 ZINC000572048583 430669551 /nfs/dbraw/zinc/66/95/51/430669551.db2.gz LLDQMKQXULMOGK-MRXNPFEDSA-N -1 1 301.390 2.593 20 0 DFADMM COC(=O)c1c[n-]c(SCc2cnc(OC)c(Cl)c2)n1 ZINC000555768649 430673126 /nfs/dbraw/zinc/67/31/26/430673126.db2.gz QGKNGQWCLPPBPP-UHFFFAOYSA-N -1 1 313.766 2.546 20 0 DFADMM CCc1nc(SCC(=O)N[C@@H]2CCCC[C@@H]2C)[n-]c(=O)c1C ZINC000572180160 430675684 /nfs/dbraw/zinc/67/56/84/430675684.db2.gz OXSGQRHZIBZXDW-GXFFZTMASA-N -1 1 323.462 2.840 20 0 DFADMM O=C(c1cccc(C2CC2)c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000572422603 430686846 /nfs/dbraw/zinc/68/68/46/430686846.db2.gz DCLUJKNZWIQTNO-UHFFFAOYSA-N -1 1 313.357 2.672 20 0 DFADMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])[C@H](C)CO1 ZINC000180378424 288027902 /nfs/dbraw/zinc/02/79/02/288027902.db2.gz XNHCPGUZQYRFDD-RKDXNWHRSA-N -1 1 303.280 2.660 20 0 DFADMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CCS1 ZINC000180510494 288027974 /nfs/dbraw/zinc/02/79/74/288027974.db2.gz PGHVYOMTRGJIRA-MRVPVSSYSA-N -1 1 305.321 2.989 20 0 DFADMM CCc1ccc(NC(=O)CN2CCC[C@@H](CC(=O)[O-])CC2)cc1 ZINC000648421203 430780991 /nfs/dbraw/zinc/78/09/91/430780991.db2.gz SYJKCBVQWQTIGQ-OAHLLOKOSA-N -1 1 318.417 2.764 20 0 DFADMM C[C@H](C(=O)Nc1cccc(F)c1)N1CCC[C@@H](CC(=O)[O-])CC1 ZINC000648422352 430782483 /nfs/dbraw/zinc/78/24/83/430782483.db2.gz PKDVNWQNOQDLHM-CHWSQXEVSA-N -1 1 322.380 2.730 20 0 DFADMM Cc1c(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cnn1C ZINC000644635673 430776049 /nfs/dbraw/zinc/77/60/49/430776049.db2.gz MUCUFFXLLUHSHP-UHFFFAOYSA-N -1 1 320.201 2.836 20 0 DFADMM O=C(CCC1CCCCCC1)NC1(c2nn[n-]n2)CCCC1 ZINC000654807207 430814906 /nfs/dbraw/zinc/81/49/06/430814906.db2.gz YSFASEXWSKOHHC-UHFFFAOYSA-N -1 1 305.426 2.836 20 0 DFADMM O=C(Nc1nnn[n-]1)c1ccccc1NCCC1=CCCCC1 ZINC000654809768 430817448 /nfs/dbraw/zinc/81/74/48/430817448.db2.gz CJYDWNVUWMCXKF-UHFFFAOYSA-N -1 1 312.377 2.754 20 0 DFADMM O=C(Nc1nn[n-]n1)c1ccccc1NCCC1=CCCCC1 ZINC000654809768 430817452 /nfs/dbraw/zinc/81/74/52/430817452.db2.gz CJYDWNVUWMCXKF-UHFFFAOYSA-N -1 1 312.377 2.754 20 0 DFADMM Cc1nn(CC2CC2)c(C)c1CC(=O)Nc1c([O-])cccc1F ZINC000651586886 430824765 /nfs/dbraw/zinc/82/47/65/430824765.db2.gz QZNOCOUYGMTGCN-UHFFFAOYSA-N -1 1 317.364 2.936 20 0 DFADMM CCN(C(=O)c1ccc(C(F)(F)F)c([O-])c1)[C@H]1CCOC1 ZINC000644706071 430797061 /nfs/dbraw/zinc/79/70/61/430797061.db2.gz VWEINGYSZDVKLY-JTQLQIEISA-N -1 1 303.280 2.662 20 0 DFADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])[C@@H](O)C(F)(F)F ZINC000644739529 430807516 /nfs/dbraw/zinc/80/75/16/430807516.db2.gz BDDKCIOWQPXHTP-AMIZOPFISA-N -1 1 313.275 2.587 20 0 DFADMM O=S(=O)(Cc1ccc(Cl)cc1)[N-][C@H]1CCCC1(F)F ZINC000651706537 430853018 /nfs/dbraw/zinc/85/30/18/430853018.db2.gz FDHASFWBDMVEOT-NSHDSACASA-N -1 1 309.765 2.947 20 0 DFADMM CC(C)(C)C1CC(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)C1 ZINC000644884215 430857852 /nfs/dbraw/zinc/85/78/52/430857852.db2.gz GGWWGAGNRCMXII-VOMCLLRMSA-N -1 1 307.394 2.554 20 0 DFADMM O=C([O-])c1ccc(CNCc2cccnc2N2CCCC2)cc1 ZINC000665339240 430901722 /nfs/dbraw/zinc/90/17/22/430901722.db2.gz ZRSWDJJDOOIAKP-UHFFFAOYSA-N -1 1 311.385 2.670 20 0 DFADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CCc2ncncc2C1 ZINC000648836709 430908489 /nfs/dbraw/zinc/90/84/89/430908489.db2.gz LJBFOWKLGJEGDA-VIFPVBQESA-N -1 1 303.749 2.579 20 0 DFADMM CCC(C)(C)N1CCN(C(=O)c2c([O-])cc(F)cc2F)CC1 ZINC000655271762 430946153 /nfs/dbraw/zinc/94/61/53/430946153.db2.gz LQPPGJZNYTXQDD-UHFFFAOYSA-N -1 1 312.360 2.617 20 0 DFADMM C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1C(=O)c1cncc([O-])c1 ZINC000649084193 430995402 /nfs/dbraw/zinc/99/54/02/430995402.db2.gz HLQJYQXPJPUSSY-BZNIZROVSA-N -1 1 316.332 2.529 20 0 DFADMM O=C([O-])[C@@H]1CCCN(Cc2cccc(F)c2OC(F)F)C1 ZINC000662205670 430998071 /nfs/dbraw/zinc/99/80/71/430998071.db2.gz MKNWTLBUBDUQLE-SNVBAGLBSA-N -1 1 303.280 2.724 20 0 DFADMM O=C([O-])[C@H]1CCCCN1Cc1cccc(F)c1OC(F)F ZINC000662207162 430998374 /nfs/dbraw/zinc/99/83/74/430998374.db2.gz YXFVYBYYTIQFHQ-LLVKDONJSA-N -1 1 303.280 2.866 20 0 DFADMM C[C@H](NC(=O)C(=O)c1ccc([O-])cc1)C1CCC(F)(F)CC1 ZINC000655340056 430966685 /nfs/dbraw/zinc/96/66/85/430966685.db2.gz BCJLLNZJBALRCO-JTQLQIEISA-N -1 1 311.328 2.905 20 0 DFADMM CCC(C)(C)C[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000645681519 431049417 /nfs/dbraw/zinc/04/94/17/431049417.db2.gz UMFIPWSEGPDBGF-UHFFFAOYSA-N -1 1 310.341 2.815 20 0 DFADMM C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2ncccc2C(F)(F)F)C1 ZINC000645691517 431051880 /nfs/dbraw/zinc/05/18/80/431051880.db2.gz MAEYZMISPHCCNV-ZJUUUORDSA-N -1 1 322.352 2.815 20 0 DFADMM O=S(=O)([N-]c1cnn(-c2ccccc2)c1C(F)F)C1CC1 ZINC000655588464 431056818 /nfs/dbraw/zinc/05/68/18/431056818.db2.gz AIBRXTZIXNFBBK-UHFFFAOYSA-N -1 1 313.329 2.714 20 0 DFADMM Cc1oc(CN(C)Cc2cccc(N(C)C)c2)cc1C(=O)[O-] ZINC000652454385 431056904 /nfs/dbraw/zinc/05/69/04/431056904.db2.gz QZPJABYLFFVAIQ-UHFFFAOYSA-N -1 1 302.374 2.984 20 0 DFADMM CC(C)C1([N-]S(=O)(=O)c2ncccc2C(F)(F)F)CC1 ZINC000645734853 431059414 /nfs/dbraw/zinc/05/94/14/431059414.db2.gz XJMWEHDFMQGBGF-UHFFFAOYSA-N -1 1 308.325 2.567 20 0 DFADMM O=C([O-])[C@@H]1CN(CCN2CCc3ccccc32)Cc2ccccc21 ZINC000652470421 431061772 /nfs/dbraw/zinc/06/17/72/431061772.db2.gz WSWAHDUCIDPZLW-GOSISDBHSA-N -1 1 322.408 2.733 20 0 DFADMM O=C([O-])CCN(Cc1cccc(F)c1F)C[C@@H]1CCCCO1 ZINC000652483490 431064752 /nfs/dbraw/zinc/06/47/52/431064752.db2.gz BVDPNGRTOATMGN-ZDUSSCGKSA-N -1 1 313.344 2.811 20 0 DFADMM CC1([N-]S(=O)(=O)c2sccc2Br)CC=CC1 ZINC000655626256 431067194 /nfs/dbraw/zinc/06/71/94/431067194.db2.gz GCRHZFCDGWOROA-UHFFFAOYSA-N -1 1 322.249 2.898 20 0 DFADMM CO[C@@H](Cc1ccccc1)CN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000659790693 431111074 /nfs/dbraw/zinc/11/10/74/431111074.db2.gz KLHWGVAYUALATE-SFHVURJKSA-N -1 1 311.381 2.958 20 0 DFADMM COc1cccc(CN2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])n1 ZINC000659793626 431114521 /nfs/dbraw/zinc/11/45/21/431114521.db2.gz FIZMTJDYPDRYDE-GDBMZVCRSA-N -1 1 318.417 2.946 20 0 DFADMM O=C([O-])[C@H]1CC[C@@H](c2ccccc2)N1CCO[C@@H]1CC1(F)F ZINC000659794123 431115082 /nfs/dbraw/zinc/11/50/82/431115082.db2.gz UZJHZEISMKGPBW-BFHYXJOUSA-N -1 1 311.328 2.701 20 0 DFADMM CCc1oc(C(=O)[O-])cc1CN1CCC(c2ccon2)CC1 ZINC000659802259 431120124 /nfs/dbraw/zinc/12/01/24/431120124.db2.gz PYOLQNIMKMRRNX-UHFFFAOYSA-N -1 1 304.346 2.908 20 0 DFADMM CCC[C@@H](C)[C@H](CO)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000652743630 431120661 /nfs/dbraw/zinc/12/06/61/431120661.db2.gz ZMSNEYVKMDRNHD-SKDRFNHKSA-N -1 1 315.797 2.581 20 0 DFADMM COc1cc(C(=O)N2CCCC(F)(F)C2)cc(Cl)c1[O-] ZINC000652744796 431121152 /nfs/dbraw/zinc/12/11/52/431121152.db2.gz WUXYVHSXWWRDCE-UHFFFAOYSA-N -1 1 305.708 2.926 20 0 DFADMM C[C@@H]1CN(Cc2ncc(-c3cccs3)o2)CC[C@@H]1C(=O)[O-] ZINC000652497110 431070937 /nfs/dbraw/zinc/07/09/37/431070937.db2.gz LOBFWTXSLBRJKD-MNOVXSKESA-N -1 1 306.387 2.946 20 0 DFADMM C[C@@H](c1nc(C2CC2)no1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000652499537 431073644 /nfs/dbraw/zinc/07/36/44/431073644.db2.gz ATXZZYREDBEENX-CMPLNLGQSA-N -1 1 307.394 2.831 20 0 DFADMM O=C([O-])c1coc(=NC[C@H](Cc2ccccc2)C(F)(F)F)[nH]1 ZINC000649396988 431088590 /nfs/dbraw/zinc/08/85/90/431088590.db2.gz OJTQMFYYDSDQNX-JTQLQIEISA-N -1 1 314.263 2.628 20 0 DFADMM O=S(=O)([N-][C@@H]1CC[C@H]2C[C@H]2C1)c1cc(Cl)ccc1F ZINC000645872518 431097110 /nfs/dbraw/zinc/09/71/10/431097110.db2.gz OAPFDQIFQIIBNG-ATZCPNFKSA-N -1 1 303.786 2.946 20 0 DFADMM C[C@@H]1Cc2ccccc2N(C(=O)c2cnc3n(C)[n-]cc-3c2=O)C1 ZINC000358330269 279017993 /nfs/dbraw/zinc/01/79/93/279017993.db2.gz IKHXSBPSTSVLPG-LLVKDONJSA-N -1 1 322.368 2.513 20 0 DFADMM C[C@H](C(=O)[O-])N(C)Cc1c(Cl)cc(Cl)cc1N(C)C ZINC000263425773 279239790 /nfs/dbraw/zinc/23/97/90/279239790.db2.gz QLMLSPMUJXBLNH-MRVPVSSYSA-N -1 1 305.205 2.964 20 0 DFADMM Cc1noc([C@H]2CCCCN2C(=O)c2cc(F)ccc2[O-])n1 ZINC000286419778 279257674 /nfs/dbraw/zinc/25/76/74/279257674.db2.gz MYDQKQVFDNIVIB-GFCCVEGCSA-N -1 1 305.309 2.590 20 0 DFADMM Cc1ccnc(NC(=O)CN(C)Cc2cccc([O-])c2Cl)c1 ZINC000646069846 431170380 /nfs/dbraw/zinc/17/03/80/431170380.db2.gz JNYXRTUJZBUULK-UHFFFAOYSA-N -1 1 319.792 2.820 20 0 DFADMM CO[C@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1CCCC1 ZINC000666314713 431188241 /nfs/dbraw/zinc/18/82/41/431188241.db2.gz WSNXEIDLIWPSGC-INIZCTEOSA-N -1 1 315.373 2.926 20 0 DFADMM CCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)[C@@H]1CCCOC1 ZINC000652817025 431148720 /nfs/dbraw/zinc/14/87/20/431148720.db2.gz KNGDMTVWVHHDQO-LLVKDONJSA-N -1 1 313.781 2.695 20 0 DFADMM Cc1nocc1CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000646049925 431157488 /nfs/dbraw/zinc/15/74/88/431157488.db2.gz YBDALERXTQPFAP-UHFFFAOYSA-N -1 1 300.358 2.784 20 0 DFADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1cccc2c1OC(F)(F)O2 ZINC000655930191 431224307 /nfs/dbraw/zinc/22/43/07/431224307.db2.gz KQAHXRUDXOUEMN-GXSJLCMTSA-N -1 1 313.300 2.693 20 0 DFADMM CC1(C)[C@H](C[N-]S(=O)(=O)c2sccc2Cl)C1(F)F ZINC000660022773 431239897 /nfs/dbraw/zinc/23/98/97/431239897.db2.gz RSUSRPHLEBTSGO-ZETCQYMHSA-N -1 1 315.794 2.971 20 0 DFADMM CC1(C)C[C@]1(C)[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000660050287 431246930 /nfs/dbraw/zinc/24/69/30/431246930.db2.gz CBDYVJLZUCQDLI-NSHDSACASA-N -1 1 308.325 2.567 20 0 DFADMM CC(C)[C@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)C1CC1 ZINC000660045374 431247134 /nfs/dbraw/zinc/24/71/34/431247134.db2.gz XCKVCRKXKHQYCQ-NSHDSACASA-N -1 1 322.352 2.813 20 0 DFADMM CC(C)CC1([N-]S(=O)(=O)c2ncccc2C(F)(F)F)CC1 ZINC000660065031 431253938 /nfs/dbraw/zinc/25/39/38/431253938.db2.gz ZNBSUGGZMDDLKJ-UHFFFAOYSA-N -1 1 322.352 2.957 20 0 DFADMM Cc1nc2ccc(NC(=O)[C@@H](C(=O)[O-])C3CCCC3)cc2[nH]1 ZINC000663085220 431282745 /nfs/dbraw/zinc/28/27/45/431282745.db2.gz NUXYLRLRYYQYLN-AWEZNQCLSA-N -1 1 301.346 2.701 20 0 DFADMM Cc1ccc(CS(=O)(=O)[N-]C(C)(C)C(C)(F)F)c(F)c1 ZINC000656186153 431297164 /nfs/dbraw/zinc/29/71/64/431297164.db2.gz HIVSSWXSDLBEJS-UHFFFAOYSA-N -1 1 309.353 2.987 20 0 DFADMM Cc1[n-][nH]c(=O)c1NC(=O)C(C)(C)Oc1cccc(Cl)c1 ZINC000646410320 431299315 /nfs/dbraw/zinc/29/93/15/431299315.db2.gz CTOLVCBLTILYLG-UHFFFAOYSA-N -1 1 309.753 2.873 20 0 DFADMM C[C@H]1CN([C@@H](C(=O)[O-])c2cccnc2)CC2(CCCCC2)O1 ZINC000656192422 431299681 /nfs/dbraw/zinc/29/96/81/431299681.db2.gz UEVGLVKKCSJCBO-DZGCQCFKSA-N -1 1 304.390 2.631 20 0 DFADMM CCOc1ccccc1OCCCC(=O)Nc1c(C)[n-][nH]c1=O ZINC000646409128 431300729 /nfs/dbraw/zinc/30/07/29/431300729.db2.gz JUBNBRVAFFGVAX-UHFFFAOYSA-N -1 1 319.361 2.620 20 0 DFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1csc(-c2ccccc2F)n1 ZINC000646413455 431302096 /nfs/dbraw/zinc/30/20/96/431302096.db2.gz ZUQZEHWVLLVGNO-UHFFFAOYSA-N -1 1 318.333 2.939 20 0 DFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000646413052 431303529 /nfs/dbraw/zinc/30/35/29/431303529.db2.gz QEIDAPKQLRVEGZ-UHFFFAOYSA-N -1 1 317.736 2.515 20 0 DFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H](OC(C)(C)C)c1ccccc1 ZINC000646412870 431304125 /nfs/dbraw/zinc/30/41/25/431304125.db2.gz FBPKMIZDRKUDDI-ZDUSSCGKSA-N -1 1 303.362 2.919 20 0 DFADMM [O-]c1cccc2c(NCc3nnc([C@@H]4CCCO4)[n-]3)cc[nH+]c12 ZINC000656208589 431311801 /nfs/dbraw/zinc/31/18/01/431311801.db2.gz KWQISMWOQKRUBL-ZDUSSCGKSA-N -1 1 311.345 2.522 20 0 DFADMM O=C(c1ncc2ccccc2c1[O-])N1CCO[C@@H]2CCCC[C@H]21 ZINC000666670879 431320089 /nfs/dbraw/zinc/32/00/89/431320089.db2.gz OUDVKVUBTIEOEG-HUUCEWRRSA-N -1 1 312.369 2.724 20 0 DFADMM O=S(=O)([N-][C@H]1CCC(F)(F)C1)c1sccc1Cl ZINC000649854312 431331687 /nfs/dbraw/zinc/33/16/87/431331687.db2.gz ZIZAYXYZQSQBAI-LURJTMIESA-N -1 1 301.767 2.868 20 0 DFADMM CC(C)([N-]S(=O)(=O)Cc1c(F)cccc1Cl)C(F)F ZINC000649968062 431390174 /nfs/dbraw/zinc/39/01/74/431390174.db2.gz NSZBOKOSWQVCSF-UHFFFAOYSA-N -1 1 315.744 2.942 20 0 DFADMM COCCN(C(=O)c1ncc2ccccc2c1[O-])C1CCCC1 ZINC000667023154 431449515 /nfs/dbraw/zinc/44/95/15/431449515.db2.gz DVJDGSSGJIQQPG-UHFFFAOYSA-N -1 1 314.385 2.972 20 0 DFADMM CO[C@H](CS(=O)(=O)[N-]c1ccccc1F)C1CCCC1 ZINC000656614127 431450311 /nfs/dbraw/zinc/45/03/11/431450311.db2.gz VJVVRMOKPQUZBC-CQSZACIVSA-N -1 1 301.383 2.773 20 0 DFADMM CO[C@H](CS(=O)(=O)[N-]c1cc(Cl)ccc1F)C(C)C ZINC000647122990 431470565 /nfs/dbraw/zinc/47/05/65/431470565.db2.gz KFEWESHUJONHMB-GFCCVEGCSA-N -1 1 309.790 2.892 20 0 DFADMM CCc1nc2ccc([N-]S(=O)(=O)C[C@H](C)OC)cc2s1 ZINC000647136508 431471560 /nfs/dbraw/zinc/47/15/60/431471560.db2.gz QLHMVOVEEFZHLP-VIFPVBQESA-N -1 1 314.432 2.635 20 0 DFADMM COc1ccc(F)c(CN[C@H](CC(=O)[O-])c2ccncc2)c1 ZINC000656567274 431430532 /nfs/dbraw/zinc/43/05/32/431430532.db2.gz JRYNBJRMKPYYQK-OAHLLOKOSA-N -1 1 304.321 2.535 20 0 DFADMM Cc1cc(C)nc([N-]S(=O)(=O)CCc2ccccc2F)c1 ZINC000656730401 431494093 /nfs/dbraw/zinc/49/40/93/431494093.db2.gz HXYKQGYACHPSDB-UHFFFAOYSA-N -1 1 308.378 2.822 20 0 DFADMM Cc1[nH]nc([N-]S(=O)(=O)Cc2cc(F)ccc2Cl)c1C ZINC000656732785 431494215 /nfs/dbraw/zinc/49/42/15/431494215.db2.gz XFDTYJSDSSDWLM-UHFFFAOYSA-N -1 1 317.773 2.761 20 0 DFADMM CO[C@@H](CS(=O)(=O)[N-]c1cncc(F)c1)C1CCCCC1 ZINC000656737187 431495354 /nfs/dbraw/zinc/49/53/54/431495354.db2.gz GYDXPIJYHMJHPF-AWEZNQCLSA-N -1 1 316.398 2.558 20 0 DFADMM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(Cc2cccc(F)c2)C1 ZINC000656756312 431502556 /nfs/dbraw/zinc/50/25/56/431502556.db2.gz 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Cc1nc([C@@H]2CCCCN2C(=O)c2ccc([O-])c(F)c2)no1 ZINC000681048250 545588583 /nfs/dbraw/zinc/58/85/83/545588583.db2.gz DBIHLSILURCWCU-LBPRGKRZSA-N -1 1 305.309 2.590 20 0 DFADMM O=C(Nc1ccc2c(c1)NC(=O)CC2)c1ccc([O-])c(F)c1 ZINC000681050894 545588807 /nfs/dbraw/zinc/58/88/07/545588807.db2.gz NZKOXNXNHVXOBR-UHFFFAOYSA-N -1 1 300.289 2.668 20 0 DFADMM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc([O-])c(F)c2)C12CCC2 ZINC000681055741 545590113 /nfs/dbraw/zinc/59/01/13/545590113.db2.gz AQONATGWEYNJJI-HUUCEWRRSA-N -1 1 307.365 2.951 20 0 DFADMM CCn1nccc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000681480167 545649535 /nfs/dbraw/zinc/64/95/35/545649535.db2.gz CCXLOHQUYUENQQ-UHFFFAOYSA-N -1 1 324.178 2.932 20 0 DFADMM CCCN(Cc1ccc(OC)cc1)C(=O)c1ncccc1[O-] ZINC000681711126 545707720 /nfs/dbraw/zinc/70/77/20/545707720.db2.gz PVYCEHGLVLCULI-UHFFFAOYSA-N -1 1 300.358 2.848 20 0 DFADMM Cc1cnc(C(=O)NCc2nc3cc(Cl)ccc3[nH]2)c([O-])c1 ZINC000681729598 545708899 /nfs/dbraw/zinc/70/88/99/545708899.db2.gz DNKBCASCKCARNI-UHFFFAOYSA-N -1 1 316.748 2.555 20 0 DFADMM COc1cccc(S(=O)(=O)[N-]c2cc(CCC(C)C)n[nH]2)c1 ZINC000682492266 545859971 /nfs/dbraw/zinc/85/99/71/545859971.db2.gz DTENILVCTMSFMI-UHFFFAOYSA-N -1 1 323.418 2.808 20 0 DFADMM CC[C@H](C(=O)[O-])N1CCc2c(F)cc(Br)cc2C1 ZINC000682853869 545928224 /nfs/dbraw/zinc/92/82/24/545928224.db2.gz YFUVQZQRBOPTHF-GFCCVEGCSA-N -1 1 316.170 2.810 20 0 DFADMM CN(C)c1cccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)c1 ZINC000683142463 545979343 /nfs/dbraw/zinc/97/93/43/545979343.db2.gz JLSUEQVGDYCVGZ-UHFFFAOYSA-N -1 1 322.434 2.574 20 0 DFADMM COc1ccc([C@@H](CC(=O)[O-])NCc2cnn(C(C)C)c2)cc1 ZINC000683170941 545983587 /nfs/dbraw/zinc/98/35/87/545983587.db2.gz CEICTTOIBPZCQY-MRXNPFEDSA-N -1 1 317.389 2.778 20 0 DFADMM O=C([O-])c1cccc(CNCc2cncc(Br)c2)c1 ZINC000683176971 545984792 /nfs/dbraw/zinc/98/47/92/545984792.db2.gz ZVYVHABHEAQPGY-UHFFFAOYSA-N -1 1 321.174 2.832 20 0 DFADMM O=C([O-])C[C@@H](NCc1nc2c(s1)CCC2)c1ccccc1 ZINC000683173496 545984819 /nfs/dbraw/zinc/98/48/19/545984819.db2.gz JUUCANSWTFJCSU-CYBMUJFWSA-N -1 1 302.399 2.937 20 0 DFADMM O=C([N-]c1nnc(Cc2ccccc2F)s1)c1nccs1 ZINC000683547742 546058434 /nfs/dbraw/zinc/05/84/34/546058434.db2.gz DFUKYYSYMBVCCY-UHFFFAOYSA-N -1 1 320.374 2.977 20 0 DFADMM CN(C)c1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)cc1 ZINC000683924117 546120825 /nfs/dbraw/zinc/12/08/25/546120825.db2.gz FVDOVBUXXYXWFC-UHFFFAOYSA-N -1 1 322.434 2.574 20 0 DFADMM C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2C(=O)c2ncccc2[O-])C1 ZINC000684860551 546294393 /nfs/dbraw/zinc/29/43/93/546294393.db2.gz FDJNNDRWRJCTFL-TUVASFSCSA-N -1 1 318.417 2.579 20 0 DFADMM C[C@@H](NC(=O)c1ccc(C(F)(F)F)c([O-])c1)[C@@H]1CCCO1 ZINC000684871719 546295573 /nfs/dbraw/zinc/29/55/73/546295573.db2.gz PGOJADDYOWWNGI-PELKAZGASA-N -1 1 303.280 2.708 20 0 DFADMM C[C@H](O)CC(C)(C)CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684876307 546296230 /nfs/dbraw/zinc/29/62/30/546296230.db2.gz SJPXLGWMPPDMHT-VIFPVBQESA-N -1 1 319.323 2.938 20 0 DFADMM O=C(NC[C@H]1CCCC[C@H]1O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684875545 546296353 /nfs/dbraw/zinc/29/63/53/546296353.db2.gz JOJBJTVMKCFFIR-ZYHUDNBSSA-N -1 1 317.307 2.692 20 0 DFADMM Cc1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)s1 ZINC000737343573 598960098 /nfs/dbraw/zinc/96/00/98/598960098.db2.gz YKDNRQPWKXOQLL-UHFFFAOYSA-N -1 1 323.385 2.792 20 0 DFADMM Cc1ccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)s1 ZINC000737343573 598960100 /nfs/dbraw/zinc/96/01/00/598960100.db2.gz YKDNRQPWKXOQLL-UHFFFAOYSA-N -1 1 323.385 2.792 20 0 DFADMM CC[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000736380415 599140489 /nfs/dbraw/zinc/14/04/89/599140489.db2.gz GGOPVXLXESESPU-CQSZACIVSA-N -1 1 309.329 2.570 20 0 DFADMM CC[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000736380415 599140490 /nfs/dbraw/zinc/14/04/90/599140490.db2.gz GGOPVXLXESESPU-CQSZACIVSA-N -1 1 309.329 2.570 20 0 DFADMM CCCc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736496245 599142329 /nfs/dbraw/zinc/14/23/29/599142329.db2.gz AZBBFCHNEUIIFT-UHFFFAOYSA-N -1 1 323.356 2.571 20 0 DFADMM CCCc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736496245 599142331 /nfs/dbraw/zinc/14/23/31/599142331.db2.gz AZBBFCHNEUIIFT-UHFFFAOYSA-N -1 1 323.356 2.571 20 0 DFADMM CC[C@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000736403854 599230722 /nfs/dbraw/zinc/23/07/22/599230722.db2.gz XRPOPWRULADARW-JTQLQIEISA-N -1 1 306.801 2.932 20 0 DFADMM CC[C@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000736403854 599230723 /nfs/dbraw/zinc/23/07/23/599230723.db2.gz XRPOPWRULADARW-JTQLQIEISA-N -1 1 306.801 2.932 20 0 DFADMM CCc1ccccc1NC(=O)[C@@H](C)N1CCC[C@H](CC(=O)[O-])C1 ZINC000818339292 597079957 /nfs/dbraw/zinc/07/99/57/597079957.db2.gz KMSXRYXKYNIGEC-ZIAGYGMSSA-N -1 1 318.417 2.763 20 0 DFADMM c1cc(-c2nnn[n-]2)oc1CNc1cccc(-c2cnco2)c1 ZINC000823757550 607312774 /nfs/dbraw/zinc/31/27/74/607312774.db2.gz RPRNTGAPXLYUOP-UHFFFAOYSA-N -1 1 308.301 2.727 20 0 DFADMM c1cc(-c2nn[n-]n2)oc1CNc1cccc(-c2cnco2)c1 ZINC000823757550 607312775 /nfs/dbraw/zinc/31/27/75/607312775.db2.gz RPRNTGAPXLYUOP-UHFFFAOYSA-N -1 1 308.301 2.727 20 0 DFADMM COc1ccc(-c2nc(CN3CC[C@H](C(=O)[O-])C3)cs2)cc1 ZINC000178894618 597531435 /nfs/dbraw/zinc/53/14/35/597531435.db2.gz PNNKOJPAYXWOPT-LBPRGKRZSA-N -1 1 318.398 2.725 20 0 DFADMM Cc1nc(-c2ccccc2)[nH]c1C(=O)OCCCCC(=O)[O-] ZINC000738149782 597834579 /nfs/dbraw/zinc/83/45/79/597834579.db2.gz ZUODMXVLZDWLBT-UHFFFAOYSA-N -1 1 302.330 2.797 20 0 DFADMM CC[C@H](Cc1ccccc1)N(C)c1cccc(-c2nnn[n-]2)n1 ZINC000820913161 607327144 /nfs/dbraw/zinc/32/71/44/607327144.db2.gz CYYIIQAXUCTBPZ-CQSZACIVSA-N -1 1 308.389 2.719 20 0 DFADMM CC[C@H](Cc1ccccc1)N(C)c1cccc(-c2nn[n-]n2)n1 ZINC000820913161 607327145 /nfs/dbraw/zinc/32/71/45/607327145.db2.gz CYYIIQAXUCTBPZ-CQSZACIVSA-N -1 1 308.389 2.719 20 0 DFADMM C[C@@H](NCCCCC(=O)[O-])c1ncc(Br)s1 ZINC000820142007 598171136 /nfs/dbraw/zinc/17/11/36/598171136.db2.gz MDMGCIISXABEHV-SSDOTTSWSA-N -1 1 307.213 2.811 20 0 DFADMM CC(C)c1nc([C@@H](C)NC(=O)Nc2ccccc2C(=O)[O-])n[nH]1 ZINC000820061789 598179109 /nfs/dbraw/zinc/17/91/09/598179109.db2.gz REQSDDUBFQLGMS-SECBINFHSA-N -1 1 317.349 2.509 20 0 DFADMM C[C@@H](CC(=O)[O-])N[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000820072207 598215007 /nfs/dbraw/zinc/21/50/07/598215007.db2.gz OSTRJLMGNBMUFG-HZMBPMFUSA-N -1 1 307.781 2.616 20 0 DFADMM C[C@@H](CC(=O)[O-])Nc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000820089409 598217847 /nfs/dbraw/zinc/21/78/47/598217847.db2.gz PMUDNDZUMFWIPS-MELADBBJSA-N -1 1 306.406 2.571 20 0 DFADMM CN(Cc1csc2ccccc12)c1nccnc1-c1nnn[n-]1 ZINC000736831689 598344297 /nfs/dbraw/zinc/34/42/97/598344297.db2.gz QKQOOOKFNSXVNX-UHFFFAOYSA-N -1 1 323.385 2.508 20 0 DFADMM CN(Cc1csc2ccccc12)c1nccnc1-c1nn[n-]n1 ZINC000736831689 598344299 /nfs/dbraw/zinc/34/42/99/598344299.db2.gz QKQOOOKFNSXVNX-UHFFFAOYSA-N -1 1 323.385 2.508 20 0 DFADMM C[C@H](Cc1ccco1)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736066961 598572169 /nfs/dbraw/zinc/57/21/69/598572169.db2.gz RSUPOHJCIJBLSR-MRVPVSSYSA-N -1 1 304.741 2.551 20 0 DFADMM C[C@H](Cc1ccco1)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736066961 598572170 /nfs/dbraw/zinc/57/21/70/598572170.db2.gz RSUPOHJCIJBLSR-MRVPVSSYSA-N -1 1 304.741 2.551 20 0 DFADMM COc1ccc([C@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)cc1 ZINC000737075560 599397991 /nfs/dbraw/zinc/39/79/91/599397991.db2.gz LEXMCRTVATWUKW-OAHLLOKOSA-N -1 1 322.372 2.612 20 0 DFADMM COc1ccc([C@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)cc1 ZINC000737075560 599397994 /nfs/dbraw/zinc/39/79/94/599397994.db2.gz LEXMCRTVATWUKW-OAHLLOKOSA-N -1 1 322.372 2.612 20 0 DFADMM COc1ccc(F)cc1[C@@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000737099357 599411943 /nfs/dbraw/zinc/41/19/43/599411943.db2.gz MCZJWZHBEFOKMS-SECBINFHSA-N -1 1 314.324 2.583 20 0 DFADMM COc1ccc(F)cc1[C@@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000737099357 599411946 /nfs/dbraw/zinc/41/19/46/599411946.db2.gz MCZJWZHBEFOKMS-SECBINFHSA-N -1 1 314.324 2.583 20 0 DFADMM Cc1ccc(OCCCCNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000737364877 599412580 /nfs/dbraw/zinc/41/25/80/599412580.db2.gz GTLHDOZJLNQSMZ-UHFFFAOYSA-N -1 1 324.388 2.841 20 0 DFADMM Cc1ccc(OCCCCNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000737364877 599412583 /nfs/dbraw/zinc/41/25/83/599412583.db2.gz GTLHDOZJLNQSMZ-UHFFFAOYSA-N -1 1 324.388 2.841 20 0 DFADMM Cc1ccccc1[C@@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000737422613 599425083 /nfs/dbraw/zinc/42/50/83/599425083.db2.gz NALHBURCTGNEPJ-CYBMUJFWSA-N -1 1 306.373 2.564 20 0 DFADMM Cc1ccccc1[C@@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000737422613 599425085 /nfs/dbraw/zinc/42/50/85/599425085.db2.gz NALHBURCTGNEPJ-CYBMUJFWSA-N -1 1 306.373 2.564 20 0 DFADMM COc1cc(Cl)ccc1CNc1cccc(-c2nnn[n-]2)n1 ZINC000737047634 599433709 /nfs/dbraw/zinc/43/37/09/599433709.db2.gz NTSLQKGIJREDEL-UHFFFAOYSA-N -1 1 316.752 2.536 20 0 DFADMM COc1cc(Cl)ccc1CNc1cccc(-c2nn[n-]n2)n1 ZINC000737047634 599433710 /nfs/dbraw/zinc/43/37/10/599433710.db2.gz NTSLQKGIJREDEL-UHFFFAOYSA-N -1 1 316.752 2.536 20 0 DFADMM C[C@H]1C[C@H](OC(=O)c2sccc2-c2nn[n-]n2)C[C@@H](C)C1 ZINC000820649633 599625278 /nfs/dbraw/zinc/62/52/78/599625278.db2.gz NJQNVERSVFVFSE-MYJAWHEDSA-N -1 1 306.391 2.910 20 0 DFADMM CCC1(C)CCN(CC(=O)Nc2ccc(C(=O)[O-])cc2)CC1 ZINC000736930733 599718001 /nfs/dbraw/zinc/71/80/01/599718001.db2.gz YHPHCIPFFNMOOZ-UHFFFAOYSA-N -1 1 304.390 2.835 20 0 DFADMM CCN1CCCC[C@@H]1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000737117151 599771902 /nfs/dbraw/zinc/77/19/02/599771902.db2.gz XMKKFZGLPVAPED-OAHLLOKOSA-N -1 1 304.390 2.517 20 0 DFADMM CC[C@H](C)N(C)CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000736885090 599780876 /nfs/dbraw/zinc/78/08/76/599780876.db2.gz XQYPZDPIGTUATJ-VIFPVBQESA-N -1 1 310.419 2.604 20 0 DFADMM COc1ccc([C@H](NCc2cccc(F)c2F)C(=O)[O-])cc1 ZINC000737971679 599860597 /nfs/dbraw/zinc/86/05/97/599860597.db2.gz SXOADIRBWPDXTB-HNNXBMFYSA-N -1 1 307.296 2.889 20 0 DFADMM CCN(CCC(=O)[O-])Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000737096018 600079558 /nfs/dbraw/zinc/07/95/58/600079558.db2.gz HVQLMUIGXKMGGY-UHFFFAOYSA-N -1 1 309.753 2.687 20 0 DFADMM CCCN1CCC[C@H]1C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000737029557 600121861 /nfs/dbraw/zinc/12/18/61/600121861.db2.gz ANYVXIGBPSLEHL-ZDUSSCGKSA-N -1 1 309.341 2.729 20 0 DFADMM CCC[C@](C)(NCC(=O)Nc1ccc(C(C)C)cc1)C(=O)[O-] ZINC000314383209 600151382 /nfs/dbraw/zinc/15/13/82/600151382.db2.gz UKVPYKPVGDQUGX-KRWDZBQOSA-N -1 1 306.406 2.982 20 0 DFADMM CCC[C@@](C)(NCC(=O)Nc1ccccc1C(C)C)C(=O)[O-] ZINC000314289654 600152547 /nfs/dbraw/zinc/15/25/47/600152547.db2.gz MGKZKVLKCNTJON-QGZVFWFLSA-N -1 1 306.406 2.982 20 0 DFADMM CC[C@@H](C)CN(C)Cn1nc(C(=O)[O-])c(Br)c1C ZINC000736879985 600280418 /nfs/dbraw/zinc/28/04/18/600280418.db2.gz KEEJIQAILVBPKJ-MRVPVSSYSA-N -1 1 318.215 2.588 20 0 DFADMM CC(C)CN(Cc1noc(CCCC(=O)[O-])n1)C1CCCC1 ZINC000736432640 600294019 /nfs/dbraw/zinc/29/40/19/600294019.db2.gz RMCOTKDPUGQGTA-UHFFFAOYSA-N -1 1 309.410 2.878 20 0 DFADMM CC(C)c1ccc(CN2C[C@H](O)C[C@H]2C(=O)[O-])c(C(C)C)c1 ZINC000736514739 600310149 /nfs/dbraw/zinc/31/01/49/600310149.db2.gz YJQJAZJKSBEABX-WBVHZDCISA-N -1 1 305.418 2.953 20 0 DFADMM CSc1ccc(NC(=O)CNC2(C(=O)[O-])CCCCC2)cc1 ZINC000738212781 600318988 /nfs/dbraw/zinc/31/89/88/600318988.db2.gz PLGVTQLBHPPOLJ-UHFFFAOYSA-N -1 1 322.430 2.724 20 0 DFADMM CC[C@@H](C)CN(C)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000736881075 600324451 /nfs/dbraw/zinc/32/44/51/600324451.db2.gz VHSLKEBKXYNNJQ-SNVBAGLBSA-N -1 1 303.362 2.512 20 0 DFADMM CC[C@@H](C)[C@H](NC(=O)CN1CCCC2(CCCCC2)C1)C(=O)[O-] ZINC000736879845 600338154 /nfs/dbraw/zinc/33/81/54/600338154.db2.gz RSFIXBUXODGYHF-ZBFHGGJFSA-N -1 1 324.465 2.648 20 0 DFADMM CCCCCCN(C)CC(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000736983203 600365781 /nfs/dbraw/zinc/36/57/81/600365781.db2.gz KGCIBSXVRKYSKJ-HNNXBMFYSA-N -1 1 318.417 2.714 20 0 DFADMM C[C@H](OC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC000736681967 600422856 /nfs/dbraw/zinc/42/28/56/600422856.db2.gz DPBKWYGQWHIDQY-XVYDVKMFSA-N -1 1 308.721 2.541 20 0 DFADMM CCCOc1ncccc1CN[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737035117 600429103 /nfs/dbraw/zinc/42/91/03/600429103.db2.gz GLLBPABJJKLCMD-HNNXBMFYSA-N -1 1 318.348 2.925 20 0 DFADMM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCc2ccc(O)cc2C1 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/nfs/dbraw/zinc/57/69/87/605576987.db2.gz WNMUSPIEARWOGR-SECBINFHSA-N -1 1 320.361 2.825 20 0 DFADMM O=C([O-])Nc1cccc(CN2CCCC[C@@H]2C2OCCO2)c1 ZINC000834269303 605597909 /nfs/dbraw/zinc/59/79/09/605597909.db2.gz SDBOSMRHRZNYLY-CQSZACIVSA-N -1 1 306.362 2.504 20 0 DFADMM Cc1ncsc1CN1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000833918208 605611402 /nfs/dbraw/zinc/61/14/02/605611402.db2.gz QDQZRXMTIVEYCF-UHFFFAOYSA-N -1 1 309.435 2.806 20 0 DFADMM O=C([O-])NC[C@H]1CCC[C@@H]1NCc1c(F)c(F)cc(F)c1F ZINC000834215903 605642886 /nfs/dbraw/zinc/64/28/86/605642886.db2.gz QRDKHJRRMPDFRK-HQJQHLMTSA-N -1 1 320.286 2.769 20 0 DFADMM Cc1nnc(CN[C@H](C)C[C@H]2CCCCCN2C(=O)[O-])s1 ZINC000833925326 605809687 /nfs/dbraw/zinc/80/96/87/605809687.db2.gz DGGBLKQQBGGOQK-ZYHUDNBSSA-N -1 1 312.439 2.637 20 0 DFADMM O=C([O-])N1CCC2(CCN(Cc3ccc(F)c(F)c3)C2)CC1 ZINC000834091440 605894173 /nfs/dbraw/zinc/89/41/73/605894173.db2.gz CEEONQOCNMAVNZ-UHFFFAOYSA-N -1 1 310.344 2.931 20 0 DFADMM O=C([O-])N1CCC2(CCN(Cc3cccc(Cl)n3)C2)CC1 ZINC000834091623 605900239 /nfs/dbraw/zinc/90/02/39/605900239.db2.gz FWSRFSCGAPAWNY-UHFFFAOYSA-N -1 1 309.797 2.701 20 0 DFADMM C[C@@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000833832158 606024642 /nfs/dbraw/zinc/02/46/42/606024642.db2.gz VHCIPRPTUZVJJN-BDJLRTHQSA-N -1 1 316.361 2.718 20 0 DFADMM Cc1cccc(C)c1COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822293662 606133938 /nfs/dbraw/zinc/13/39/38/606133938.db2.gz GRIMBWYEWZZITB-UHFFFAOYSA-N -1 1 314.370 2.902 20 0 DFADMM Cc1cccc(C)c1COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822293662 606133939 /nfs/dbraw/zinc/13/39/39/606133939.db2.gz GRIMBWYEWZZITB-UHFFFAOYSA-N -1 1 314.370 2.902 20 0 DFADMM Cc1cc(C)cc(COC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822196856 606137806 /nfs/dbraw/zinc/13/78/06/606137806.db2.gz YZIYRRXXMBZEEV-UHFFFAOYSA-N -1 1 314.370 2.902 20 0 DFADMM Cc1cc(C)cc(COC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822196856 606137807 /nfs/dbraw/zinc/13/78/07/606137807.db2.gz YZIYRRXXMBZEEV-UHFFFAOYSA-N -1 1 314.370 2.902 20 0 DFADMM O=C(O[C@H]1CCc2ccccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823396025 606177624 /nfs/dbraw/zinc/17/76/24/606177624.db2.gz CVBRZIGIXQVSSQ-NSHDSACASA-N -1 1 312.354 2.773 20 0 DFADMM O=C(O[C@H]1CCc2ccccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823396025 606177625 /nfs/dbraw/zinc/17/76/25/606177625.db2.gz CVBRZIGIXQVSSQ-NSHDSACASA-N -1 1 312.354 2.773 20 0 DFADMM O=C(Oc1cccc2[nH]ccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823453991 606181253 /nfs/dbraw/zinc/18/12/53/606181253.db2.gz HVVDBGFJGMOYPN-UHFFFAOYSA-N -1 1 311.326 2.629 20 0 DFADMM O=C(Oc1cccc2[nH]ccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823453991 606181255 /nfs/dbraw/zinc/18/12/55/606181255.db2.gz HVVDBGFJGMOYPN-UHFFFAOYSA-N -1 1 311.326 2.629 20 0 DFADMM FC(F)COc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000822732859 606238951 /nfs/dbraw/zinc/23/89/51/606238951.db2.gz MXHNQRKHDQLLGK-UHFFFAOYSA-N -1 1 321.287 2.716 20 0 DFADMM FC(F)COc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000822732859 606238952 /nfs/dbraw/zinc/23/89/52/606238952.db2.gz MXHNQRKHDQLLGK-UHFFFAOYSA-N -1 1 321.287 2.716 20 0 DFADMM Fc1ccc(C[C@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)cc1 ZINC000822766221 606401547 /nfs/dbraw/zinc/40/15/47/606401547.db2.gz GIYUDGNHNVWURJ-CQSZACIVSA-N -1 1 324.363 2.612 20 0 DFADMM Fc1ccc(C[C@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)cc1 ZINC000822766221 606401549 /nfs/dbraw/zinc/40/15/49/606401549.db2.gz GIYUDGNHNVWURJ-CQSZACIVSA-N -1 1 324.363 2.612 20 0 DFADMM COCc1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000821695880 606411355 /nfs/dbraw/zinc/41/13/55/606411355.db2.gz LSHQMSINRWLVDU-UHFFFAOYSA-N -1 1 301.375 2.687 20 0 DFADMM Clc1ccc(Oc2cccnc2Cl)nc1-c1nnn[n-]1 ZINC000822579228 606467495 /nfs/dbraw/zinc/46/74/95/606467495.db2.gz YPMVJAKBPVMIGS-UHFFFAOYSA-N -1 1 309.116 2.756 20 0 DFADMM Clc1ccc(Oc2cccnc2Cl)nc1-c1nn[n-]n1 ZINC000822579228 606467497 /nfs/dbraw/zinc/46/74/97/606467497.db2.gz YPMVJAKBPVMIGS-UHFFFAOYSA-N -1 1 309.116 2.756 20 0 DFADMM CCO[C@H]1C[C@H](Nc2cccc(-c3nnn[n-]3)n2)C1(CC)CC ZINC000821359673 606477602 /nfs/dbraw/zinc/47/76/02/606477602.db2.gz ORAPMVFWZXDPAA-STQMWFEESA-N -1 1 316.409 2.657 20 0 DFADMM CCO[C@H]1C[C@H](Nc2cccc(-c3nn[n-]n3)n2)C1(CC)CC ZINC000821359673 606477604 /nfs/dbraw/zinc/47/76/04/606477604.db2.gz ORAPMVFWZXDPAA-STQMWFEESA-N -1 1 316.409 2.657 20 0 DFADMM C[C@H]1CC=CC[C@H]1COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820678727 606488582 /nfs/dbraw/zinc/48/85/82/606488582.db2.gz XQOFSBBVYVXPEL-UWVGGRQHSA-N -1 1 304.375 2.687 20 0 DFADMM C[C@H]1CC=CC[C@H]1COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820678727 606488583 /nfs/dbraw/zinc/48/85/83/606488583.db2.gz XQOFSBBVYVXPEL-UWVGGRQHSA-N -1 1 304.375 2.687 20 0 DFADMM C[C@@H]1CC=CC[C@@H]1COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820678726 606488762 /nfs/dbraw/zinc/48/87/62/606488762.db2.gz XQOFSBBVYVXPEL-NXEZZACHSA-N -1 1 304.375 2.687 20 0 DFADMM C[C@@H]1CC=CC[C@@H]1COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820678726 606488764 /nfs/dbraw/zinc/48/87/64/606488764.db2.gz XQOFSBBVYVXPEL-NXEZZACHSA-N -1 1 304.375 2.687 20 0 DFADMM Cc1ccc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822237550 606492198 /nfs/dbraw/zinc/49/21/98/606492198.db2.gz YYQFAVHSIDOMSV-UHFFFAOYSA-N -1 1 313.386 2.509 20 0 DFADMM Cc1ccc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822237550 606492199 /nfs/dbraw/zinc/49/21/99/606492199.db2.gz YYQFAVHSIDOMSV-UHFFFAOYSA-N -1 1 313.386 2.509 20 0 DFADMM CC(C)c1csc(NC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000820196714 606497726 /nfs/dbraw/zinc/49/77/26/606497726.db2.gz AKHCDFQWSKWNJR-UHFFFAOYSA-N -1 1 320.403 2.760 20 0 DFADMM CC(C)c1csc(NC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000820196714 606497727 /nfs/dbraw/zinc/49/77/27/606497727.db2.gz AKHCDFQWSKWNJR-UHFFFAOYSA-N -1 1 320.403 2.760 20 0 DFADMM CC(C)[C@H](C)N(C(=O)c1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC000820015861 606507658 /nfs/dbraw/zinc/50/76/58/606507658.db2.gz HDVZGTVQZQQKRO-VIFPVBQESA-N -1 1 305.407 2.577 20 0 DFADMM CC(C)[C@H](C)N(C(=O)c1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC000820015861 606507661 /nfs/dbraw/zinc/50/76/61/606507661.db2.gz HDVZGTVQZQQKRO-VIFPVBQESA-N -1 1 305.407 2.577 20 0 DFADMM CC(C)[C@@H](C)N(C(=O)c1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC000820015859 606507799 /nfs/dbraw/zinc/50/77/99/606507799.db2.gz HDVZGTVQZQQKRO-SECBINFHSA-N -1 1 305.407 2.577 20 0 DFADMM CC(C)[C@@H](C)N(C(=O)c1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC000820015859 606507801 /nfs/dbraw/zinc/50/78/01/606507801.db2.gz HDVZGTVQZQQKRO-SECBINFHSA-N -1 1 305.407 2.577 20 0 DFADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)c2ccccc21 ZINC000820742171 606510983 /nfs/dbraw/zinc/51/09/83/606510983.db2.gz HXEJVWJWYUOCIM-SECBINFHSA-N -1 1 311.370 2.692 20 0 DFADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)c2ccccc21 ZINC000820742171 606510984 /nfs/dbraw/zinc/51/09/84/606510984.db2.gz HXEJVWJWYUOCIM-SECBINFHSA-N -1 1 311.370 2.692 20 0 DFADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@@H]1C1CCCC1 ZINC000823482836 606530041 /nfs/dbraw/zinc/53/00/41/606530041.db2.gz AJZVQJGXZKODGX-LLVKDONJSA-N -1 1 317.418 2.723 20 0 DFADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@@H]1C1CCCC1 ZINC000823482836 606530042 /nfs/dbraw/zinc/53/00/42/606530042.db2.gz AJZVQJGXZKODGX-LLVKDONJSA-N -1 1 317.418 2.723 20 0 DFADMM Cc1ccc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)s1 ZINC000822228957 606531234 /nfs/dbraw/zinc/53/12/34/606531234.db2.gz JNLLPPLPCKEIKR-MRVPVSSYSA-N -1 1 319.415 2.789 20 0 DFADMM Cc1ccc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)s1 ZINC000822228957 606531236 /nfs/dbraw/zinc/53/12/36/606531236.db2.gz JNLLPPLPCKEIKR-MRVPVSSYSA-N -1 1 319.415 2.789 20 0 DFADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)s1)[C@@H]1CCCC[C@H]1C ZINC000821160625 606547302 /nfs/dbraw/zinc/54/73/02/606547302.db2.gz NQTYLVLWWUQCDU-GHMZBOCLSA-N -1 1 319.434 2.969 20 0 DFADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)s1)[C@@H]1CCCC[C@H]1C ZINC000821160625 606547304 /nfs/dbraw/zinc/54/73/04/606547304.db2.gz NQTYLVLWWUQCDU-GHMZBOCLSA-N -1 1 319.434 2.969 20 0 DFADMM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820678797 606564558 /nfs/dbraw/zinc/56/45/58/606564558.db2.gz YNHPBBFEZAPBAV-MXWKQRLJSA-N -1 1 317.418 2.721 20 0 DFADMM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820678797 606564560 /nfs/dbraw/zinc/56/45/60/606564560.db2.gz YNHPBBFEZAPBAV-MXWKQRLJSA-N -1 1 317.418 2.721 20 0 DFADMM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823144558 606575106 /nfs/dbraw/zinc/57/51/06/606575106.db2.gz IKYWVAFMHKTGAN-OUAUKWLOSA-N -1 1 317.418 2.627 20 0 DFADMM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823144558 606575108 /nfs/dbraw/zinc/57/51/08/606575108.db2.gz IKYWVAFMHKTGAN-OUAUKWLOSA-N -1 1 317.418 2.627 20 0 DFADMM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823144555 606575456 /nfs/dbraw/zinc/57/54/56/606575456.db2.gz IKYWVAFMHKTGAN-GARJFASQSA-N -1 1 317.418 2.627 20 0 DFADMM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823144555 606575458 /nfs/dbraw/zinc/57/54/58/606575458.db2.gz IKYWVAFMHKTGAN-GARJFASQSA-N -1 1 317.418 2.627 20 0 DFADMM c1csc(Cc2noc(-c3ccc(-c4nnn[n-]4)s3)n2)c1 ZINC000823816041 606621131 /nfs/dbraw/zinc/62/11/31/606621131.db2.gz OMUKBUKMULRQNX-UHFFFAOYSA-N -1 1 316.371 2.631 20 0 DFADMM c1csc(Cc2noc(-c3ccc(-c4nn[n-]n4)s3)n2)c1 ZINC000823816041 606621132 /nfs/dbraw/zinc/62/11/32/606621132.db2.gz OMUKBUKMULRQNX-UHFFFAOYSA-N -1 1 316.371 2.631 20 0 DFADMM COCCC1(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)CCC1 ZINC000821687068 606723211 /nfs/dbraw/zinc/72/32/11/606723211.db2.gz MXLIMFJMEIVDKY-UHFFFAOYSA-N -1 1 322.800 2.534 20 0 DFADMM COCCC1(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)CCC1 ZINC000821687068 606723214 /nfs/dbraw/zinc/72/32/14/606723214.db2.gz MXLIMFJMEIVDKY-UHFFFAOYSA-N -1 1 322.800 2.534 20 0 DFADMM O=c1c(-c2nn[n-]n2)cn(C/C=C\Cl)c2ccc(Cl)cc12 ZINC000823657963 607168473 /nfs/dbraw/zinc/16/84/73/607168473.db2.gz XRDBDMHDRGJHKN-RJRFIUFISA-N -1 1 322.155 2.588 20 0 DFADMM Fc1ccccc1OCCOc1cccc(F)c1-c1nnn[n-]1 ZINC000826378757 607865638 /nfs/dbraw/zinc/86/56/38/607865638.db2.gz YYIRNUDYMXTJSC-UHFFFAOYSA-N -1 1 318.283 2.603 20 0 DFADMM Fc1ccccc1OCCOc1cccc(F)c1-c1nn[n-]n1 ZINC000826378757 607865639 /nfs/dbraw/zinc/86/56/39/607865639.db2.gz YYIRNUDYMXTJSC-UHFFFAOYSA-N -1 1 318.283 2.603 20 0 DFADMM CC(C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000824184011 607901441 /nfs/dbraw/zinc/90/14/41/607901441.db2.gz BJSCDUFQBCCVAW-UHFFFAOYSA-N -1 1 324.344 2.649 20 0 DFADMM CC(C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000824184011 607901442 /nfs/dbraw/zinc/90/14/42/607901442.db2.gz BJSCDUFQBCCVAW-UHFFFAOYSA-N -1 1 324.344 2.649 20 0 DFADMM C[C@@H]1C[C@H]1C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000824900014 607929321 /nfs/dbraw/zinc/92/93/21/607929321.db2.gz RPEIMKMODQKARL-HTQZYQBOSA-N -1 1 305.407 2.820 20 0 DFADMM C[C@@H]1C[C@H]1C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000824900014 607929322 /nfs/dbraw/zinc/92/93/22/607929322.db2.gz RPEIMKMODQKARL-HTQZYQBOSA-N -1 1 305.407 2.820 20 0 DFADMM Cc1cccc(C)c1[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826297077 608249145 /nfs/dbraw/zinc/24/91/45/608249145.db2.gz UOBGCVXNAADOQH-LBPRGKRZSA-N -1 1 323.356 2.797 20 0 DFADMM Cc1cccc(C)c1[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826297077 608249147 /nfs/dbraw/zinc/24/91/47/608249147.db2.gz UOBGCVXNAADOQH-LBPRGKRZSA-N -1 1 323.356 2.797 20 0 DFADMM CCCOCC(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000825338720 608346446 /nfs/dbraw/zinc/34/64/46/608346446.db2.gz GGZAUIYYRYVYRO-UHFFFAOYSA-N -1 1 323.422 2.591 20 0 DFADMM CCCOCC(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000825338720 608346447 /nfs/dbraw/zinc/34/64/47/608346447.db2.gz GGZAUIYYRYVYRO-UHFFFAOYSA-N -1 1 323.422 2.591 20 0 DFADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1cccc2ccccc21 ZINC000824657545 608389640 /nfs/dbraw/zinc/38/96/40/608389640.db2.gz QWUWWJUXAXVEAK-LLVKDONJSA-N -1 1 317.356 2.983 20 0 DFADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1cccc2ccccc21 ZINC000824657545 608389642 /nfs/dbraw/zinc/38/96/42/608389642.db2.gz QWUWWJUXAXVEAK-LLVKDONJSA-N -1 1 317.356 2.983 20 0 DFADMM Cc1ccc([C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)cc1C ZINC000826285709 608405104 /nfs/dbraw/zinc/40/51/04/608405104.db2.gz HRRDKUBUGHAIPI-OAHLLOKOSA-N -1 1 321.388 2.615 20 0 DFADMM Cc1ccc([C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)cc1C ZINC000826285709 608405105 /nfs/dbraw/zinc/40/51/05/608405105.db2.gz HRRDKUBUGHAIPI-OAHLLOKOSA-N -1 1 321.388 2.615 20 0 DFADMM CC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1cccc(Cl)c1 ZINC000825148638 608426015 /nfs/dbraw/zinc/42/60/15/608426015.db2.gz RJDOAJGAJFBHFG-LLVKDONJSA-N -1 1 315.768 2.873 20 0 DFADMM CC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1cccc(Cl)c1 ZINC000825148638 608426016 /nfs/dbraw/zinc/42/60/16/608426016.db2.gz RJDOAJGAJFBHFG-LLVKDONJSA-N -1 1 315.768 2.873 20 0 DFADMM CC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(Cl)s1 ZINC000825146617 608429256 /nfs/dbraw/zinc/42/92/56/608429256.db2.gz DRSUDNGULISGQL-ZETCQYMHSA-N -1 1 321.797 2.935 20 0 DFADMM CC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(Cl)s1 ZINC000825146617 608429257 /nfs/dbraw/zinc/42/92/57/608429257.db2.gz DRSUDNGULISGQL-ZETCQYMHSA-N -1 1 321.797 2.935 20 0 DFADMM C[C@@H]1CC(Nc2cc(-c3nnn[n-]3)nc3ccccc32)C[C@@H](C)O1 ZINC000824891474 608444114 /nfs/dbraw/zinc/44/41/14/608444114.db2.gz ABXKBCCSHCOKLU-GHMZBOCLSA-N -1 1 324.388 2.783 20 0 DFADMM C[C@@H]1CC(Nc2cc(-c3nn[n-]n3)nc3ccccc32)C[C@@H](C)O1 ZINC000824891474 608444116 /nfs/dbraw/zinc/44/41/16/608444116.db2.gz ABXKBCCSHCOKLU-GHMZBOCLSA-N -1 1 324.388 2.783 20 0 DFADMM CN(Cc1ccc(-c2nnn[n-]2)o1)Cc1c(F)cccc1Cl ZINC000825961666 608500214 /nfs/dbraw/zinc/50/02/14/608500214.db2.gz KURCGYIXYUSIFF-UHFFFAOYSA-N -1 1 321.743 2.884 20 0 DFADMM CN(Cc1ccc(-c2nn[n-]n2)o1)Cc1c(F)cccc1Cl ZINC000825961666 608500215 /nfs/dbraw/zinc/50/02/15/608500215.db2.gz KURCGYIXYUSIFF-UHFFFAOYSA-N -1 1 321.743 2.884 20 0 DFADMM Fc1ccccc1CN(Cc1ccc(-c2nnn[n-]2)o1)C1CC1 ZINC000826378660 608505462 /nfs/dbraw/zinc/50/54/62/608505462.db2.gz VAWWKOMJQGMGCX-UHFFFAOYSA-N -1 1 313.336 2.763 20 0 DFADMM CCOc1cccc([C@@H]2C[C@H]2Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC000825648926 608589123 /nfs/dbraw/zinc/58/91/23/608589123.db2.gz GTPDOCSUMLFRGB-DZGCQCFKSA-N -1 1 322.372 2.628 20 0 DFADMM CCOc1cccc([C@@H]2C[C@H]2Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC000825648926 608589124 /nfs/dbraw/zinc/58/91/24/608589124.db2.gz GTPDOCSUMLFRGB-DZGCQCFKSA-N -1 1 322.372 2.628 20 0 DFADMM Clc1cccc2c1CCN(Cc1ccc(-c3nnn[n-]3)o1)C2 ZINC000826353297 608690559 /nfs/dbraw/zinc/69/05/59/608690559.db2.gz JMIIHFMNKHRFQD-UHFFFAOYSA-N -1 1 315.764 2.671 20 0 DFADMM Clc1cccc2c1CCN(Cc1ccc(-c3nn[n-]n3)o1)C2 ZINC000826353297 608690562 /nfs/dbraw/zinc/69/05/62/608690562.db2.gz JMIIHFMNKHRFQD-UHFFFAOYSA-N -1 1 315.764 2.671 20 0 DFADMM O=C(OCc1ccc(CF)cc1)c1sccc1-c1nn[n-]n1 ZINC000826465195 609239902 /nfs/dbraw/zinc/23/99/02/609239902.db2.gz CGYHVEHEJGFAEG-UHFFFAOYSA-N -1 1 318.333 2.755 20 0 DFADMM CC(C)C[C@H](C)C[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824228749 609362780 /nfs/dbraw/zinc/36/27/80/609362780.db2.gz KIYLCSFHSKHMLX-RYUDHWBXSA-N -1 1 317.393 2.879 20 0 DFADMM CC(C)C[C@H](C)C[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824228749 609362783 /nfs/dbraw/zinc/36/27/83/609362783.db2.gz KIYLCSFHSKHMLX-RYUDHWBXSA-N -1 1 317.393 2.879 20 0 DFADMM Cc1cc(F)ccc1COC(=O)c1sccc1-c1nn[n-]n1 ZINC000826269084 609607420 /nfs/dbraw/zinc/60/74/20/609607420.db2.gz ZRTYNPLECJBKBR-UHFFFAOYSA-N -1 1 318.333 2.733 20 0 DFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000081812660 192328018 /nfs/dbraw/zinc/32/80/18/192328018.db2.gz ITBCBWUXCNBGAB-GHMZBOCLSA-N -1 1 319.449 2.930 20 0 DFADMM CC(C)c1ccccc1[N-]S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000078968893 185137623 /nfs/dbraw/zinc/13/76/23/185137623.db2.gz XEUPEEXSHPBBLC-UHFFFAOYSA-N -1 1 318.398 2.710 20 0 DFADMM CC[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1cccs1 ZINC000079418732 185170711 /nfs/dbraw/zinc/17/07/11/185170711.db2.gz CHOYEAMAEOXLPB-NSHDSACASA-N -1 1 313.382 2.866 20 0 DFADMM COCC(C)(C)CNC(=O)c1ccc(Br)c([O-])c1 ZINC000311120500 231116842 /nfs/dbraw/zinc/11/68/42/231116842.db2.gz XLSYRZMVVCMLTE-UHFFFAOYSA-N -1 1 316.195 2.557 20 0 DFADMM CCOC(=O)c1cnc([N-]c2cnn(C)c2C(F)F)s1 ZINC000596180973 398349773 /nfs/dbraw/zinc/34/97/73/398349773.db2.gz XNHZAJAJOPBALV-UHFFFAOYSA-N -1 1 302.306 2.735 20 0 DFADMM CCc1nc(SCC(=O)N2CCCCCC2)[n-]c(=O)c1C ZINC000004861716 398349893 /nfs/dbraw/zinc/34/98/93/398349893.db2.gz JESCQFBZOVFDQT-UHFFFAOYSA-N -1 1 309.435 2.548 20 0 DFADMM COc1ccc(C)cc1S(=O)(=O)[N-]c1cc(C(C)C)n[nH]1 ZINC000228376316 398353746 /nfs/dbraw/zinc/35/37/46/398353746.db2.gz DUMWLRJBOOWJIW-UHFFFAOYSA-N -1 1 309.391 2.651 20 0 DFADMM CN(CCc1ccccc1O)C(=O)c1c(F)ccc([O-])c1F ZINC000584687887 398396778 /nfs/dbraw/zinc/39/67/78/398396778.db2.gz SNQOIBZFUKVEMH-UHFFFAOYSA-N -1 1 307.296 2.691 20 0 DFADMM Cc1n[n-]c(=S)n1CCNC(=O)Nc1cc(C)ccc1C ZINC000084293256 398396963 /nfs/dbraw/zinc/39/69/63/398396963.db2.gz RRRYLOFEQQDIFC-UHFFFAOYSA-N -1 1 305.407 2.688 20 0 DFADMM Cc1n[n-]c(=S)n1CCNC(=O)Nc1ccc2c(c1)CCC2 ZINC000084294914 398397230 /nfs/dbraw/zinc/39/72/30/398397230.db2.gz SXNRPARHAFZMMF-UHFFFAOYSA-N -1 1 317.418 2.560 20 0 DFADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NC(C)C)c1 ZINC000017301001 398403777 /nfs/dbraw/zinc/40/37/77/398403777.db2.gz ARZDMQQFZHQYDK-UHFFFAOYSA-N -1 1 304.419 2.831 20 0 DFADMM CSC[C@@H](C)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000066927374 398408359 /nfs/dbraw/zinc/40/83/59/398408359.db2.gz YHFWWRZCDOSNQP-GFCCVEGCSA-N -1 1 321.442 2.813 20 0 DFADMM O=S(=O)([N-]c1cccc(O)c1F)c1cc(F)ccc1F ZINC000127891301 282961599 /nfs/dbraw/zinc/96/15/99/282961599.db2.gz WDYAKJCMMKBZHA-UHFFFAOYSA-N -1 1 303.261 2.610 20 0 DFADMM COc1ccc(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)c([O-])c1 ZINC000023453980 398424433 /nfs/dbraw/zinc/42/44/33/398424433.db2.gz AAFHUPJIAAIDMA-UHFFFAOYSA-N -1 1 323.251 2.975 20 0 DFADMM Cc1nc(S[C@@H](C)C(=O)NCC2CCCCC2)[n-]c(=O)c1C ZINC000330685746 231993055 /nfs/dbraw/zinc/99/30/55/231993055.db2.gz UTSXYOCFWVAGHO-LBPRGKRZSA-N -1 1 323.462 2.976 20 0 DFADMM COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)c([O-])c1 ZINC000026520883 398454681 /nfs/dbraw/zinc/45/46/81/398454681.db2.gz WTPQWDVIWQLRFL-UHFFFAOYSA-N -1 1 303.314 2.670 20 0 DFADMM COc1ccc(C(=O)Nc2cc(OC)cc(OC)c2)c([O-])c1 ZINC000026531587 398454497 /nfs/dbraw/zinc/45/44/97/398454497.db2.gz ZWNWZROQLXOASS-UHFFFAOYSA-N -1 1 303.314 2.670 20 0 DFADMM CSc1nc(C)c(CCC(=O)N(C)[C@@H](C)C(C)C)c(=O)[n-]1 ZINC000027184338 398460678 /nfs/dbraw/zinc/46/06/78/398460678.db2.gz AZLMCEXJPHFOQQ-NSHDSACASA-N -1 1 311.451 2.648 20 0 DFADMM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000068074800 398477433 /nfs/dbraw/zinc/47/74/33/398477433.db2.gz POSUPMANSAQCSF-UHFFFAOYSA-N -1 1 305.355 2.526 20 0 DFADMM CCCC[C@H](NC(=O)[C@@H](c1ccccc1)N(CC)CC)C(=O)[O-] ZINC000184984099 282966568 /nfs/dbraw/zinc/96/65/68/282966568.db2.gz OLYQSBIDRDJDEG-JKSUJKDBSA-N -1 1 320.433 2.829 20 0 DFADMM O=c1[n-]c([C@@H]2CCCCN2CC2CCC(F)(F)CC2)n[nH]1 ZINC000459493949 299121091 /nfs/dbraw/zinc/12/10/91/299121091.db2.gz ZICDPADQLCKECR-NSHDSACASA-N -1 1 300.353 2.863 20 0 DFADMM CCC[C@@H](C)N(C)C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000029447780 398485065 /nfs/dbraw/zinc/48/50/65/398485065.db2.gz AKDSQVGWQZCDRV-SNVBAGLBSA-N -1 1 311.451 2.792 20 0 DFADMM COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2C)c([O-])c1 ZINC000029818128 398492454 /nfs/dbraw/zinc/49/24/54/398492454.db2.gz SEYCASKSVMHCHO-UHFFFAOYSA-N -1 1 314.341 2.920 20 0 DFADMM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CCS1 ZINC000180510514 290767629 /nfs/dbraw/zinc/76/76/29/290767629.db2.gz PGHVYOMTRGJIRA-QMMMGPOBSA-N -1 1 305.321 2.989 20 0 DFADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C)c(F)c1 ZINC000588672025 398502961 /nfs/dbraw/zinc/50/29/61/398502961.db2.gz HXSDKIIQVFYUKB-TVQRCGJNSA-N -1 1 319.373 2.830 20 0 DFADMM CCOc1ncccc1CNC(=O)c1cc(Cl)ccc1[O-] ZINC000031323595 398514950 /nfs/dbraw/zinc/51/49/50/398514950.db2.gz QVVYMZSFZQGHCB-UHFFFAOYSA-N -1 1 306.749 2.769 20 0 DFADMM CCOC(=O)[C@@H](CC)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000592990001 398515314 /nfs/dbraw/zinc/51/53/14/398515314.db2.gz GRQJQWZLUSQDEA-MRXNPFEDSA-N -1 1 319.401 2.906 20 0 DFADMM COc1cc(C(=O)N[C@@H](C)C2(OC)CCC2)cc(Cl)c1[O-] ZINC000413974735 295753964 /nfs/dbraw/zinc/75/39/64/295753964.db2.gz OOZLLZUWOKVVSB-VIFPVBQESA-N -1 1 313.781 2.742 20 0 DFADMM CCOc1cccc([C@@H](C)[N-]S(=O)(=O)c2c(C)noc2C)c1 ZINC000068838981 398532206 /nfs/dbraw/zinc/53/22/06/398532206.db2.gz LOIUKSLTQNCJQE-SNVBAGLBSA-N -1 1 324.402 2.730 20 0 DFADMM O=C(Nc1cnn(-c2ccncc2)c1)c1ccc([O-])c(Cl)c1 ZINC000589185681 398533548 /nfs/dbraw/zinc/53/35/48/398533548.db2.gz QUGRVSKUEJHCOG-UHFFFAOYSA-N -1 1 314.732 2.879 20 0 DFADMM CCCCCC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000033070262 398540910 /nfs/dbraw/zinc/54/09/10/398540910.db2.gz HHMYMVFAORMATF-UHFFFAOYSA-N -1 1 314.407 2.586 20 0 DFADMM CC[C@H](Cc1ccccc1)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000075961423 282560132 /nfs/dbraw/zinc/56/01/32/282560132.db2.gz SYOWWKAGTRLLBL-CQSZACIVSA-N -1 1 321.380 2.674 20 0 DFADMM Cc1cc([O-])c(C(=O)C=Cc2ccc(OC(F)F)cc2)c(=O)o1 ZINC000033779442 398546096 /nfs/dbraw/zinc/54/60/96/398546096.db2.gz XFJTYXVVQLNYIB-ZBKLQPJUSA-N -1 1 322.263 2.516 20 0 DFADMM C[C@@]1(C(=O)[O-])CCCN(Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000320742510 398548305 /nfs/dbraw/zinc/54/83/05/398548305.db2.gz PHXVIVSEJMNOIM-MRXNPFEDSA-N -1 1 319.336 2.562 20 0 DFADMM COc1ccc(CN2CCC(CCC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000321482648 398552498 /nfs/dbraw/zinc/55/24/98/398552498.db2.gz RMAYYFMQLREHKV-UHFFFAOYSA-N -1 1 322.361 2.680 20 0 DFADMM O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccc([O-])c(F)c1 ZINC000681058374 545591331 /nfs/dbraw/zinc/59/13/31/545591331.db2.gz NOIKXTHFHUOBBQ-GLQYFDAESA-N -1 1 305.349 2.609 20 0 DFADMM CC(C)(C)OC(=O)CCC(=O)Nc1nc(Cl)ccc1[O-] ZINC000279794368 215152706 /nfs/dbraw/zinc/15/27/06/215152706.db2.gz SDIJFGPBPFWBRS-UHFFFAOYSA-N -1 1 300.742 2.501 20 0 DFADMM Cc1cc(N2CC[C@H](C(=O)[O-])[C@@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000322736183 398559884 /nfs/dbraw/zinc/55/98/84/398559884.db2.gz XCQDJPMMVPUOBQ-JQWIXIFHSA-N -1 1 315.329 2.751 20 0 DFADMM Cn1[n-]cc2/c(=N\C(=O)CC(C)(C)c3ccccc3)ccnc1-2 ZINC000279815541 215169933 /nfs/dbraw/zinc/16/99/33/215169933.db2.gz QDWZKEOKGPFWOX-QNGOZBTKSA-N -1 1 308.385 2.648 20 0 DFADMM CCc1nc(-c2ccccc2[N-]S(=O)(=O)CCC2CC2)n[nH]1 ZINC000092278584 398565400 /nfs/dbraw/zinc/56/54/00/398565400.db2.gz LNEYMQRXBDCXOG-UHFFFAOYSA-N -1 1 320.418 2.576 20 0 DFADMM C[C@H](CC1CCCCC1)NC(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287045203 219285560 /nfs/dbraw/zinc/28/55/60/219285560.db2.gz DLLZGNIVKIAFGQ-DMJQWXIHSA-N -1 1 315.421 2.822 20 0 DFADMM Cc1ccc(F)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2C)c1 ZINC000042122869 398584061 /nfs/dbraw/zinc/58/40/61/398584061.db2.gz FPJSOSKOFXAGKP-UHFFFAOYSA-N -1 1 323.345 2.942 20 0 DFADMM COc1ccc(-n2nc(C(=O)Nc3ccncc3[O-])cc2C)cc1 ZINC000092738541 398598150 /nfs/dbraw/zinc/59/81/50/398598150.db2.gz WLJXPFYXZDUSRJ-UHFFFAOYSA-N -1 1 324.340 2.542 20 0 DFADMM CCOC(=O)c1cc(NC(=O)c2ccc(C(C)(F)F)cc2)n[nH]1 ZINC000590322572 398613759 /nfs/dbraw/zinc/61/37/59/398613759.db2.gz QZPBSLHTXOIGCS-UHFFFAOYSA-N -1 1 323.299 2.950 20 0 DFADMM Cc1[n-][nH]c(=O)c1NC(=O)CSCc1ccc(Cl)cc1 ZINC000590396711 398618589 /nfs/dbraw/zinc/61/85/89/398618589.db2.gz SYDNQKIBKYNLIL-UHFFFAOYSA-N -1 1 311.794 2.949 20 0 DFADMM CCOC(=O)C(C)(C)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000112257286 282719843 /nfs/dbraw/zinc/71/98/43/282719843.db2.gz RMAKQYVDERZXHZ-UHFFFAOYSA-N -1 1 315.369 2.959 20 0 DFADMM COCCN(Cc1ccccn1)C(=O)c1ccc(Cl)cc1[O-] ZINC000094035040 398651783 /nfs/dbraw/zinc/65/17/83/398651783.db2.gz NNDINJYYCAEQCL-UHFFFAOYSA-N -1 1 320.776 2.729 20 0 DFADMM CCc1csc([C@@H]2CCCN(C(=O)c3cncc([O-])c3)C2)n1 ZINC000172164069 198051171 /nfs/dbraw/zinc/05/11/71/198051171.db2.gz YXWODSJBWFLAER-LLVKDONJSA-N -1 1 317.414 2.826 20 0 DFADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@H](n2ccnc2)C1 ZINC000590816475 398680925 /nfs/dbraw/zinc/68/09/25/398680925.db2.gz WHRFDDQIKHJUMW-LBPRGKRZSA-N -1 1 305.765 2.719 20 0 DFADMM Cc1cnc(C(=O)NCCC2CC(OC(C)(C)C)C2)c([O-])c1 ZINC000331867582 234213966 /nfs/dbraw/zinc/21/39/66/234213966.db2.gz LIDXNWZMMRLETC-UHFFFAOYSA-N -1 1 306.406 2.809 20 0 DFADMM O=C(c1sccc1Cl)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000331913687 234269037 /nfs/dbraw/zinc/26/90/37/234269037.db2.gz KTFPUFOOIQDKSN-UHFFFAOYSA-N -1 1 313.766 2.510 20 0 DFADMM C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000173524019 198223878 /nfs/dbraw/zinc/22/38/78/198223878.db2.gz GBUNGQZYQBSGAH-NHYWBVRUSA-N -1 1 316.332 2.529 20 0 DFADMM CC(C)(C)OC(=O)CC1(NC(=O)c2c([O-])cccc2F)CCC1 ZINC000593818032 398693149 /nfs/dbraw/zinc/69/31/49/398693149.db2.gz BZEYKHZUJAYMGU-UHFFFAOYSA-N -1 1 323.364 2.916 20 0 DFADMM O=C([N-]c1nnc(Cc2ccc(F)cc2)s1)c1ccon1 ZINC000106831999 398699947 /nfs/dbraw/zinc/69/99/47/398699947.db2.gz YMOZHRWTXRCJFL-UHFFFAOYSA-N -1 1 304.306 2.508 20 0 DFADMM CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc([O-])cc1F ZINC000593889584 398700764 /nfs/dbraw/zinc/70/07/64/398700764.db2.gz HHYSGZTXGFTGDJ-CYBMUJFWSA-N -1 1 311.353 2.724 20 0 DFADMM COCCCCCNC(=O)c1ccc(Br)c([O-])c1 ZINC000126063027 282898611 /nfs/dbraw/zinc/89/86/11/282898611.db2.gz NTEDBDMYRJPHNG-UHFFFAOYSA-N -1 1 316.195 2.701 20 0 DFADMM Cn1nc2c(c1CNC(=O)c1cc(Cl)ccc1[O-])CCCC2 ZINC000332075716 234458511 /nfs/dbraw/zinc/45/85/11/234458511.db2.gz YXUFNKMJMAUSOK-UHFFFAOYSA-N -1 1 319.792 2.588 20 0 DFADMM Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccc(Cl)cc1[O-] ZINC000073920682 398710378 /nfs/dbraw/zinc/71/03/78/398710378.db2.gz LKJHSHUHQRHCCR-LBPRGKRZSA-N -1 1 305.765 2.587 20 0 DFADMM CN(C(=O)c1ccc(Br)c([O-])c1)[C@H]1CCSC1 ZINC000126829913 282924228 /nfs/dbraw/zinc/92/42/28/282924228.db2.gz BCGGTZOZRMENBM-VIFPVBQESA-N -1 1 316.220 2.732 20 0 DFADMM CCO[C@H]1C[C@@H](N(C)C(=O)c2ncc(C)cc2[O-])C12CCC2 ZINC000681739568 545710927 /nfs/dbraw/zinc/71/09/27/545710927.db2.gz LKXPXJRUCNVYAE-KGLIPLIRSA-N -1 1 304.390 2.515 20 0 DFADMM COc1cccc(CNCc2ccccc2CC(=O)[O-])c1OC ZINC000277053350 213265605 /nfs/dbraw/zinc/26/56/05/213265605.db2.gz SPOHDNHDCKALMY-UHFFFAOYSA-N -1 1 315.369 2.621 20 0 DFADMM C[C@@H](C(=O)OC(C)(C)C)N(C(=O)c1ccc([O-])c(F)c1)C1CC1 ZINC000591091571 398725870 /nfs/dbraw/zinc/72/58/70/398725870.db2.gz HBZXPWNVGYYYMW-JTQLQIEISA-N -1 1 323.364 2.866 20 0 DFADMM O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1c([O-])cccc1F ZINC000130730372 283058790 /nfs/dbraw/zinc/05/87/90/283058790.db2.gz SAQMSOHSBZSWOJ-KMUNFCNLSA-N -1 1 305.349 2.609 20 0 DFADMM COc1cc2nc(-c3ccc(Cl)o3)[n-]c(=O)c2cc1OC ZINC000131445082 283085404 /nfs/dbraw/zinc/08/54/04/283085404.db2.gz NFZJCZQOAJGEQY-UHFFFAOYSA-N -1 1 306.705 2.854 20 0 DFADMM CCc1oc(CNCc2cccc(C(=O)[O-])c2)cc1C(=O)OC ZINC000591270362 398744652 /nfs/dbraw/zinc/74/46/52/398744652.db2.gz ACVSKAKVROSPPT-UHFFFAOYSA-N -1 1 317.341 2.617 20 0 DFADMM CCOC(=O)c1cnc(NC(=O)[C@H](CC)Cc2ccccc2)[n-]1 ZINC000591302652 398746992 /nfs/dbraw/zinc/74/69/92/398746992.db2.gz NMKLYCHNWAQDJO-CYBMUJFWSA-N -1 1 315.373 2.794 20 0 DFADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H](CC)Cc2ccccc2)n1 ZINC000591302652 398746993 /nfs/dbraw/zinc/74/69/93/398746993.db2.gz NMKLYCHNWAQDJO-CYBMUJFWSA-N -1 1 315.373 2.794 20 0 DFADMM CC(C)c1cc(C[N-]S(=O)(=O)c2cccc(F)c2F)on1 ZINC000114499138 398745635 /nfs/dbraw/zinc/74/56/35/398745635.db2.gz OPFCQMWTBPWJPS-UHFFFAOYSA-N -1 1 316.329 2.555 20 0 DFADMM O=C(C[C@@H]1CCc2ccccc21)Nc1n[n-]c(C(F)(F)F)n1 ZINC000115342595 398752282 /nfs/dbraw/zinc/75/22/82/398752282.db2.gz PQXMJJIRLCGVAN-VIFPVBQESA-N -1 1 310.279 2.882 20 0 DFADMM Cc1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)cnc2N)c1 ZINC000133417061 283150863 /nfs/dbraw/zinc/15/08/63/283150863.db2.gz POPHKLUFHQZFMF-UHFFFAOYSA-N -1 1 315.757 2.566 20 0 DFADMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1 ZINC000005719828 181276111 /nfs/dbraw/zinc/27/61/11/181276111.db2.gz IIRYMUBCFPYECA-UHFFFAOYSA-N -1 1 324.333 2.805 20 0 DFADMM O=S(=O)([N-]c1ccc2nccn2c1)c1ccccc1Cl ZINC000074859562 398772247 /nfs/dbraw/zinc/77/22/47/398772247.db2.gz KJNFYBTTWCVCCU-UHFFFAOYSA-N -1 1 307.762 2.789 20 0 DFADMM C[C@@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000134106444 283173634 /nfs/dbraw/zinc/17/36/34/283173634.db2.gz WTYJAUNEAXHBDE-AAEUAGOBSA-N -1 1 309.387 2.669 20 0 DFADMM CCC[C@@H](NC(=O)CC(C)(C)c1ccccc1)c1nn[n-]n1 ZINC000177652103 198756272 /nfs/dbraw/zinc/75/62/72/198756272.db2.gz QMBYXHXZXXNTSX-CYBMUJFWSA-N -1 1 301.394 2.525 20 0 DFADMM CCOC(=O)C[C@H](C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000134344556 283182957 /nfs/dbraw/zinc/18/29/57/283182957.db2.gz RMMSJRLQZWZIRH-NSHDSACASA-N -1 1 301.342 2.617 20 0 DFADMM CCCCOCCNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000135015893 283206267 /nfs/dbraw/zinc/20/62/67/283206267.db2.gz LUVFUACXNNUWRM-UHFFFAOYSA-N -1 1 301.770 2.601 20 0 DFADMM CC(=O)c1cnc(NC(=O)c2cc(-c3ccco3)n[nH]2)s1 ZINC000135452298 283221522 /nfs/dbraw/zinc/22/15/22/283221522.db2.gz QHJIRLFPRPUFBH-UHFFFAOYSA-N -1 1 302.315 2.581 20 0 DFADMM CCC[C@@H](NC(=O)CC(C)(C)c1ccc(C)cc1)c1nn[n-]n1 ZINC000136680659 283243484 /nfs/dbraw/zinc/24/34/84/283243484.db2.gz IXXPVFVWCWYRMW-CQSZACIVSA-N -1 1 315.421 2.833 20 0 DFADMM CCC[C@@H](NC(=O)[C@H](C)c1cc2ccccc2o1)c1nn[n-]n1 ZINC000136648992 283242490 /nfs/dbraw/zinc/24/24/90/283242490.db2.gz NREQGSMUGCRSNQ-ZYHUDNBSSA-N -1 1 313.361 2.707 20 0 DFADMM CCC[C@H](NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1nn[n-]n1 ZINC000136637262 283242493 /nfs/dbraw/zinc/24/24/93/283242493.db2.gz SETYSRPISMLLAG-YPMHNXCESA-N -1 1 319.434 2.646 20 0 DFADMM CCC[C@@H](NC(=O)[C@@H](C)CSc1ccccc1)c1nn[n-]n1 ZINC000136673312 283242702 /nfs/dbraw/zinc/24/27/02/283242702.db2.gz DTVFVEQAZNFIOB-WCQYABFASA-N -1 1 319.434 2.586 20 0 DFADMM COc1cccc(SC)c1[N-]C(=O)c1cc(CN(C)C)on1 ZINC000416362283 295944912 /nfs/dbraw/zinc/94/49/12/295944912.db2.gz TWCPMSQRJVHNFI-UHFFFAOYSA-N -1 1 321.402 2.719 20 0 DFADMM O=S(=O)([N-]CCOCC1CCCC1)c1sccc1Cl ZINC000416500348 295950838 /nfs/dbraw/zinc/95/08/38/295950838.db2.gz CKGZSWYQNCHKNE-UHFFFAOYSA-N -1 1 323.867 2.887 20 0 DFADMM COc1cc(Cl)c(C(=O)Nc2ccncc2[O-])cc1OC ZINC000151571991 283288758 /nfs/dbraw/zinc/28/87/58/283288758.db2.gz IHQQHWUSCQVOPI-UHFFFAOYSA-N -1 1 308.721 2.710 20 0 DFADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2)c(C)c1 ZINC000050530382 398810240 /nfs/dbraw/zinc/81/02/40/398810240.db2.gz CWPZFMYQBIOLMA-UHFFFAOYSA-N -1 1 319.382 2.891 20 0 DFADMM O=S(=O)([N-]C1CCC(C(F)F)CC1)c1sccc1F ZINC000416556378 295954439 /nfs/dbraw/zinc/95/44/39/295954439.db2.gz FVDMJFWIXMPMBH-UHFFFAOYSA-N -1 1 313.366 2.989 20 0 DFADMM O=S(=O)([N-][C@@H]1CCCC[C@H]1F)c1cc(F)c(F)c(F)c1 ZINC000416595194 295956976 /nfs/dbraw/zinc/95/69/76/295956976.db2.gz QBVWMINOWXUAEC-LDYMZIIASA-N -1 1 311.300 2.663 20 0 DFADMM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000179608504 199063720 /nfs/dbraw/zinc/06/37/20/199063720.db2.gz IQVLSHRKFYKYCZ-LLVKDONJSA-N -1 1 316.398 2.567 20 0 DFADMM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2F)[C@@H](C)O1 ZINC000416603773 295957727 /nfs/dbraw/zinc/95/77/27/295957727.db2.gz KZUIPXUHBXXIOP-OPRDCNLKSA-N -1 1 321.801 2.571 20 0 DFADMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)[C@H](O)C(C)C ZINC000416615527 295958743 /nfs/dbraw/zinc/95/87/43/295958743.db2.gz GVKAHVDBTZXVFP-DGCLKSJQSA-N -1 1 323.817 2.553 20 0 DFADMM C[C@H](C[N-]S(=O)(=O)c1sccc1Br)C1CC1 ZINC000132797391 398858103 /nfs/dbraw/zinc/85/81/03/398858103.db2.gz ZSVITNAEGLHXMT-SSDOTTSWSA-N -1 1 324.265 2.835 20 0 DFADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])[C@H]1COc2ccccc21 ZINC000152942265 283345899 /nfs/dbraw/zinc/34/58/99/283345899.db2.gz VFNUIOXLSXOQHG-IINYFYTJSA-N -1 1 301.317 2.826 20 0 DFADMM COc1ccc(C(=O)Nc2cncc(Br)c2)c([O-])c1 ZINC000153122464 283353380 /nfs/dbraw/zinc/35/33/80/283353380.db2.gz KUNZBIJVTBXLPD-UHFFFAOYSA-N -1 1 323.146 2.811 20 0 DFADMM C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])C1CCOCC1 ZINC000180718316 199201153 /nfs/dbraw/zinc/20/11/53/199201153.db2.gz VAOZEVNGDZDHKA-VIFPVBQESA-N -1 1 317.307 2.956 20 0 DFADMM CCO[C@@H]1C[C@H](N(C)C(=O)c2cncc([O-])c2)C12CCCCC2 ZINC000175840464 283413754 /nfs/dbraw/zinc/41/37/54/283413754.db2.gz ZENVGAQVIJOOMM-JKSUJKDBSA-N -1 1 318.417 2.987 20 0 DFADMM O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cc(F)ccc1[O-] ZINC000177001937 283425685 /nfs/dbraw/zinc/42/56/85/283425685.db2.gz UZZQDGKCOTVMSH-UHFFFAOYSA-N -1 1 314.316 2.676 20 0 DFADMM COc1ccc(OCCN(C)C(=O)c2cc(F)ccc2[O-])cc1 ZINC000176968860 283424785 /nfs/dbraw/zinc/42/47/85/283424785.db2.gz DQJRWURZGLJONB-UHFFFAOYSA-N -1 1 319.332 2.691 20 0 DFADMM CCOc1cc(C(=O)NC[C@@H](C)C[C@@H](C)O)cc(Cl)c1[O-] ZINC000186829381 200018216 /nfs/dbraw/zinc/01/82/16/200018216.db2.gz OUNZXPNMNOYYEK-VHSXEESVSA-N -1 1 315.797 2.581 20 0 DFADMM CCOc1cc(C(=O)NC[C@@H](O)[C@@H](C)CC)cc(Cl)c1[O-] ZINC000186868011 200024371 /nfs/dbraw/zinc/02/43/71/200024371.db2.gz WQYRVZWXUZGGOO-JOYOIKCWSA-N -1 1 315.797 2.581 20 0 DFADMM CCOc1cc(C(=O)N2CCO[C@H](C)[C@H]2C)cc(Cl)c1[O-] ZINC000186873882 200024854 /nfs/dbraw/zinc/02/48/54/200024854.db2.gz DNUGFHYBBBEAFF-NXEZZACHSA-N -1 1 313.781 2.694 20 0 DFADMM CCOc1cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc(Cl)c1[O-] ZINC000186988890 200044272 /nfs/dbraw/zinc/04/42/72/200044272.db2.gz UOOZIOHQVAFZLO-AOOOYVTPSA-N -1 1 313.781 2.694 20 0 DFADMM COC(=O)c1c[n-]c(SCc2csc([C@@H](C)OC)n2)n1 ZINC000187599930 200133019 /nfs/dbraw/zinc/13/30/19/200133019.db2.gz BCANDRFYWICCBC-SSDOTTSWSA-N -1 1 313.404 2.653 20 0 DFADMM CCOC(=O)C[C@@](C)(NC(=O)c1ccc([O-])cc1F)C(C)C ZINC000187594112 200132495 /nfs/dbraw/zinc/13/24/95/200132495.db2.gz IMVJKMDKYLQXSO-MRXNPFEDSA-N -1 1 311.353 2.629 20 0 DFADMM CCc1cc(=O)[n-]c(SCc2csc([C@@H](C)OC)n2)n1 ZINC000188096402 283472022 /nfs/dbraw/zinc/47/20/22/283472022.db2.gz XGBKGVQYGCXRIE-MRVPVSSYSA-N -1 1 311.432 2.789 20 0 DFADMM COC(=O)c1ccc(CSc2nc(C3CC3)cc(=O)[n-]2)o1 ZINC000188130209 200198288 /nfs/dbraw/zinc/19/82/88/200198288.db2.gz LVYQQTHJMGJBLN-UHFFFAOYSA-N -1 1 306.343 2.732 20 0 DFADMM CCSC1(C[N-]S(=O)(=O)c2sccc2Cl)CC1 ZINC000595351059 398925721 /nfs/dbraw/zinc/92/57/21/398925721.db2.gz MOYMLAXMELOPHB-UHFFFAOYSA-N -1 1 311.881 2.966 20 0 DFADMM CCCCN(C)S(=O)(=O)[N-]c1nn(-c2ccccc2)cc1C ZINC000158154710 398956772 /nfs/dbraw/zinc/95/67/72/398956772.db2.gz MEZGQWSEYWZAOC-UHFFFAOYSA-N -1 1 322.434 2.569 20 0 DFADMM COC(=O)[C@H]1C[C@H]1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000600135878 398963038 /nfs/dbraw/zinc/96/30/38/398963038.db2.gz OLDIYYRTZHRTPB-MNOVXSKESA-N -1 1 319.744 2.946 20 0 DFADMM Cc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)nn1 ZINC000417560216 296030814 /nfs/dbraw/zinc/03/08/14/296030814.db2.gz ZJVZDPIDFMLHTP-AWEZNQCLSA-N -1 1 305.765 2.744 20 0 DFADMM CCc1cccc(Cl)c1CN[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000417596744 296034031 /nfs/dbraw/zinc/03/40/31/296034031.db2.gz QWIXUCZNVMMGAG-AWEZNQCLSA-N -1 1 307.781 2.551 20 0 DFADMM O=C([O-])[C@H]1C[C@@H](NCc2cnc(C3CC3)nc2)c2ccccc21 ZINC000417620145 296036117 /nfs/dbraw/zinc/03/61/17/296036117.db2.gz FRJZIRDMGGTLBU-JKSUJKDBSA-N -1 1 309.369 2.757 20 0 DFADMM CCOc1cccc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)n1 ZINC000417630774 296036989 /nfs/dbraw/zinc/03/69/89/296036989.db2.gz RJRHAEJMRYROHQ-HOTGVXAUSA-N -1 1 312.369 2.883 20 0 DFADMM COc1cc(C)nc(CNCc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000417673819 296040056 /nfs/dbraw/zinc/04/00/56/296040056.db2.gz XCLDHTACOQZKEP-UHFFFAOYSA-N -1 1 300.358 2.695 20 0 DFADMM CCCCCc1cc(C(=O)N(CC(=O)[O-])C2CCCC2)n[nH]1 ZINC000621576442 398982092 /nfs/dbraw/zinc/98/20/92/398982092.db2.gz MTVZOQDGFCKHCP-UHFFFAOYSA-N -1 1 307.394 2.612 20 0 DFADMM COC(=O)c1ccc(CN(C)C(=O)c2ccc([O-])c(F)c2)cc1 ZINC000613445775 398988058 /nfs/dbraw/zinc/98/80/58/398988058.db2.gz MNEHEMJDCIPHIP-UHFFFAOYSA-N -1 1 317.316 2.590 20 0 DFADMM CC(C)OCCCSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000195022760 201329256 /nfs/dbraw/zinc/32/92/56/201329256.db2.gz DTOQTWQYTFVQFA-UHFFFAOYSA-N -1 1 312.435 2.971 20 0 DFADMM CC(C)OCCCSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000195022760 201329259 /nfs/dbraw/zinc/32/92/59/201329259.db2.gz DTOQTWQYTFVQFA-UHFFFAOYSA-N -1 1 312.435 2.971 20 0 DFADMM C[C@H](CN(C)C(=O)c1cccc(C2CCCC2)c1)c1nn[n-]n1 ZINC000613474286 398998136 /nfs/dbraw/zinc/99/81/36/398998136.db2.gz GSJJWIPMECEOED-GFCCVEGCSA-N -1 1 313.405 2.733 20 0 DFADMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@@H](C)C1=O ZINC000618097169 399002295 /nfs/dbraw/zinc/00/22/95/399002295.db2.gz PUPGBNKYJYWYJK-RKDXNWHRSA-N -1 1 315.291 2.708 20 0 DFADMM CCOC(=O)Cc1ccccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000613510187 399006797 /nfs/dbraw/zinc/00/67/97/399006797.db2.gz KGWITUUDWSRKCV-UHFFFAOYSA-N -1 1 317.316 2.889 20 0 DFADMM CC(C)[C@H](NC(=O)c1ccc([O-])c(F)c1)C(=O)OC(C)(C)C ZINC000613513621 399008109 /nfs/dbraw/zinc/00/81/09/399008109.db2.gz IMTWGFKXSGCADF-ZDUSSCGKSA-N -1 1 311.353 2.627 20 0 DFADMM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCc2cc(C)ccc21 ZINC000057019696 399008718 /nfs/dbraw/zinc/00/87/18/399008718.db2.gz PWBOEPOQFCIUPC-CQSZACIVSA-N -1 1 306.387 2.566 20 0 DFADMM O=C(NCCO[C@@H]1CC1(F)F)c1cc2ccccc2cc1[O-] ZINC000618125279 399010740 /nfs/dbraw/zinc/01/07/40/399010740.db2.gz WSZLXASCACCKOF-CQSZACIVSA-N -1 1 307.296 2.699 20 0 DFADMM C[C@@H](CC(=O)NC1(c2nn[n-]n2)CCCC1)C1CCCCC1 ZINC000605381923 399015581 /nfs/dbraw/zinc/01/55/81/399015581.db2.gz IWKQRKXCGGFDQP-LBPRGKRZSA-N -1 1 305.426 2.692 20 0 DFADMM Cc1c(C(=O)Nc2c([O-])cccc2F)[nH]c2c1C(=O)CCC2 ZINC000605435977 399019624 /nfs/dbraw/zinc/01/96/24/399019624.db2.gz JLPMOUXPZBGNKI-UHFFFAOYSA-N -1 1 302.305 2.939 20 0 DFADMM COc1ccccc1S(=O)(=O)[N-]c1ccc(N(C)C)cc1C ZINC000079268932 399029567 /nfs/dbraw/zinc/02/95/67/399029567.db2.gz GUFCCUZVOBUBFR-UHFFFAOYSA-N -1 1 320.414 2.870 20 0 DFADMM CC(C)(C)CC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000091159812 193007293 /nfs/dbraw/zinc/00/72/93/193007293.db2.gz HUUFYPBUIMIDOC-UHFFFAOYSA-N -1 1 302.371 2.572 20 0 DFADMM COCc1cccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c1 ZINC000171331971 399046285 /nfs/dbraw/zinc/04/62/85/399046285.db2.gz NKPIMPZVYUIAEI-UHFFFAOYSA-N -1 1 313.325 2.912 20 0 DFADMM CCOCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000283943950 283981726 /nfs/dbraw/zinc/98/17/26/283981726.db2.gz QXAVHYHXZFINRZ-UHFFFAOYSA-N -1 1 309.790 2.574 20 0 DFADMM COc1ccccc1-c1nc(C(=O)[N-]c2nncs2)cs1 ZINC000621874967 399102367 /nfs/dbraw/zinc/10/23/67/399102367.db2.gz QSOYCZCTZKTALA-UHFFFAOYSA-N -1 1 318.383 2.923 20 0 DFADMM O=C([O-])CCCN1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000262288289 203252100 /nfs/dbraw/zinc/25/21/00/203252100.db2.gz XCGRGGJXSMSFNL-CYBMUJFWSA-N -1 1 317.307 2.944 20 0 DFADMM CSC1(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CCC1 ZINC000600676015 399114428 /nfs/dbraw/zinc/11/44/28/399114428.db2.gz RJYMGPHGQGUBFW-UHFFFAOYSA-N -1 1 303.387 2.802 20 0 DFADMM Cc1ccc(CN(C)CC(=O)[N-]OCc2ccccc2)s1 ZINC000093171617 193211339 /nfs/dbraw/zinc/21/13/39/193211339.db2.gz PMCVDJPUMIKPOX-UHFFFAOYSA-N -1 1 304.415 2.736 20 0 DFADMM COC(=O)c1cc(C(C)C)ccc1NC(=O)c1cncc([O-])c1 ZINC000339928533 284146040 /nfs/dbraw/zinc/14/60/40/284146040.db2.gz NYLOERQGBVVBPM-UHFFFAOYSA-N -1 1 314.341 2.950 20 0 DFADMM CC(C)Oc1ncccc1[N-]S(=O)(=O)CCc1ccccc1 ZINC000340243228 284162229 /nfs/dbraw/zinc/16/22/29/284162229.db2.gz LRALTIPRGMKNHI-UHFFFAOYSA-N -1 1 320.414 2.853 20 0 DFADMM Cc1ccc(C=C([O-])Nc2nc(-c3ccccc3)ns2)cn1 ZINC000340296731 284170143 /nfs/dbraw/zinc/17/01/43/284170143.db2.gz WQXPEEZSGJCIOT-UHFFFAOYSA-N -1 1 310.382 2.512 20 0 DFADMM CC(C)[C@@H](NC(=O)c1cc(F)ccc1[O-])c1nc(C2CC2)no1 ZINC000094101557 193345703 /nfs/dbraw/zinc/34/57/03/193345703.db2.gz KYIHYYHKZXFFFR-CYBMUJFWSA-N -1 1 319.336 2.919 20 0 DFADMM C[S@](=O)Cc1cccc(C(=O)Nc2ccc(F)cc2[O-])c1 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320.370 2.701 20 0 DFADMM COC[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000299249024 268319338 /nfs/dbraw/zinc/31/93/38/268319338.db2.gz VZMKUQYFBQCGMK-LURJTMIESA-N -1 1 318.247 2.616 20 0 DFADMM O=C(c1ccc(Br)cc1[O-])N1CCC(F)(F)C1 ZINC000313301815 268339834 /nfs/dbraw/zinc/33/98/34/268339834.db2.gz VPNQODBUFFDRMB-UHFFFAOYSA-N -1 1 306.106 2.636 20 0 DFADMM O=C(c1cc(F)ccc1[O-])N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000316696733 268345189 /nfs/dbraw/zinc/34/51/89/268345189.db2.gz ZZNKFJJPLIKMGH-CFVMTHIKSA-N -1 1 307.365 2.687 20 0 DFADMM CN(Cc1cccc(Br)c1)C(=O)c1ncccc1[O-] ZINC000048891540 425877907 /nfs/dbraw/zinc/87/79/07/425877907.db2.gz WVSDKIPXJHXLRY-UHFFFAOYSA-N -1 1 321.174 2.822 20 0 DFADMM CCCCc1nnc([N-]C(=O)c2csc(COC)n2)s1 ZINC000049175210 425878757 /nfs/dbraw/zinc/87/87/57/425878757.db2.gz LLHKKMMFICMIFV-UHFFFAOYSA-N -1 1 312.420 2.736 20 0 DFADMM O=S(=O)(Cc1nc2ccccc2s1)c1ccc([O-])cc1 ZINC000049488986 425879500 /nfs/dbraw/zinc/87/95/00/425879500.db2.gz AGVAXCPXENKGJX-UHFFFAOYSA-N -1 1 305.380 2.976 20 0 DFADMM CC[C@@H](SC)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000124863033 425942251 /nfs/dbraw/zinc/94/22/51/425942251.db2.gz JVHRNULAQFRZPB-OAHLLOKOSA-N -1 1 321.442 2.955 20 0 DFADMM O=C(N[C@@H](CO)Cc1ccccc1)c1ccc2ccccc2c1[O-] ZINC000103338992 425943824 /nfs/dbraw/zinc/94/38/24/425943824.db2.gz HEJPAPFKAIUFER-MRXNPFEDSA-N -1 1 321.376 2.879 20 0 DFADMM C[C@@]1(C[N-]S(=O)(=O)c2cccc(F)c2F)CCCS1 ZINC000126110495 426005451 /nfs/dbraw/zinc/00/54/51/426005451.db2.gz ZUQAXEIHRCUYPU-LBPRGKRZSA-N -1 1 307.387 2.529 20 0 DFADMM COc1cccc(OCCCNC(=O)c2c([O-])cccc2F)c1 ZINC000125573958 425979889 /nfs/dbraw/zinc/97/98/89/425979889.db2.gz FCKZMQQVQQWDDK-UHFFFAOYSA-N -1 1 319.332 2.739 20 0 DFADMM CC[C@H](NC(=O)c1c([O-])cccc1F)c1c(C)nn(C)c1C ZINC000126971656 426045617 /nfs/dbraw/zinc/04/56/17/426045617.db2.gz HNMFQHNNZOXNTB-LBPRGKRZSA-N -1 1 305.353 2.763 20 0 DFADMM CC(C)COc1cccc(CNC(=O)c2cncc([O-])c2)c1 ZINC000111579540 426052916 /nfs/dbraw/zinc/05/29/16/426052916.db2.gz FXKVPSXDYLZBTR-UHFFFAOYSA-N -1 1 300.358 2.752 20 0 DFADMM COc1cc(C)c([C@@H](C)NC(=O)c2cncc([O-])c2)cc1OC ZINC000111567395 426052969 /nfs/dbraw/zinc/05/29/69/426052969.db2.gz XPKJCVGKLBZBMU-LLVKDONJSA-N -1 1 316.357 2.604 20 0 DFADMM Cc1ccccc1OCCCN(C)C(=O)c1cncc([O-])c1 ZINC000111574310 426053527 /nfs/dbraw/zinc/05/35/27/426053527.db2.gz IVRJTAHZBYNZSA-UHFFFAOYSA-N -1 1 300.358 2.637 20 0 DFADMM COc1ccc(C(C)(C)CNC(=O)c2cncc([O-])c2)cc1 ZINC000111585453 426053548 /nfs/dbraw/zinc/05/35/48/426053548.db2.gz AZDOSEYSWAZYST-UHFFFAOYSA-N -1 1 300.358 2.503 20 0 DFADMM O=C(Cc1ccc2c(c1)OCO2)Nc1ccc([O-])c(Cl)c1 ZINC000111666056 426055014 /nfs/dbraw/zinc/05/50/14/426055014.db2.gz OHFBILCAQCGUTH-UHFFFAOYSA-N -1 1 305.717 2.956 20 0 DFADMM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c1C ZINC000074927879 426058066 /nfs/dbraw/zinc/05/80/66/426058066.db2.gz WALPIEROHDEJHX-UHFFFAOYSA-N -1 1 305.355 2.833 20 0 DFADMM Cc1ccc(-c2n[nH]c(NC(=O)C[C@@H]3CSCCS3)n2)o1 ZINC000162490968 426066232 /nfs/dbraw/zinc/06/62/32/426066232.db2.gz HKUNBSSCMWQHRV-SECBINFHSA-N -1 1 324.431 2.550 20 0 DFADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)c1 ZINC000126154731 426008231 /nfs/dbraw/zinc/00/82/31/426008231.db2.gz HEWSWBMCRLYATN-UHFFFAOYSA-N -1 1 307.375 2.537 20 0 DFADMM CC1=C(C(=O)OC(C)C)[C@@H](c2ccc([O-])c(Cl)c2)NC(=O)N1 ZINC000076216937 426104721 /nfs/dbraw/zinc/10/47/21/426104721.db2.gz JOBZZFBDSBPDKX-CYBMUJFWSA-N -1 1 324.764 2.625 20 0 DFADMM CC(C)(C)[S@@](=O)CCNC(=O)c1cc2ccccc2cc1[O-] ZINC000112394411 426075905 /nfs/dbraw/zinc/07/59/05/426075905.db2.gz WSIIDZUBXIQTPA-JOCHJYFZSA-N -1 1 319.426 2.822 20 0 DFADMM COCc1csc(NC(=O)c2cn[nH]c2-c2ccccc2)n1 ZINC000115723316 426172254 /nfs/dbraw/zinc/17/22/54/426172254.db2.gz HDOZHBJQZPCIKJ-UHFFFAOYSA-N -1 1 314.370 2.932 20 0 DFADMM CC(C)(C)OC(=O)CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000078517069 426172965 /nfs/dbraw/zinc/17/29/65/426172965.db2.gz UZFIWGIJEJHCHF-UHFFFAOYSA-N -1 1 319.401 2.629 20 0 DFADMM Cn1cc([C@H]2CCN(C(=O)c3cc4ccccc4cc3[O-])C2)cn1 ZINC000116118367 426179823 /nfs/dbraw/zinc/17/98/23/426179823.db2.gz YODALVBTAQWNNO-HNNXBMFYSA-N -1 1 321.380 2.909 20 0 DFADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc([S@@](C)=O)c1 ZINC000117739377 426221805 /nfs/dbraw/zinc/22/18/05/426221805.db2.gz PAVRCTRNYCDPML-IBGZPJMESA-N -1 1 309.412 2.533 20 0 DFADMM Cc1ccccc1OCCN(C)C(=O)c1cc(F)ccc1[O-] ZINC000081931582 426226751 /nfs/dbraw/zinc/22/67/51/426226751.db2.gz ONXWGHYPIIAJQA-UHFFFAOYSA-N -1 1 303.333 2.991 20 0 DFADMM O=C(NCCCc1nc2ccccc2[nH]1)c1cc(F)ccc1[O-] ZINC000081957690 426227470 /nfs/dbraw/zinc/22/74/70/426227470.db2.gz HJRJHMXZHKYCAR-UHFFFAOYSA-N -1 1 313.332 2.770 20 0 DFADMM O=C(c1c([O-])cnc2ccccc21)N1CCC[C@@H](n2cccn2)C1 ZINC000136578871 426242387 /nfs/dbraw/zinc/24/23/87/426242387.db2.gz PECQPSGXPUQBJH-CYBMUJFWSA-N -1 1 322.368 2.614 20 0 DFADMM CCC[C@H](NC(=O)c1cc2c(ccc(C)c2C)[nH]1)c1nn[n-]n1 ZINC000136721259 426245099 /nfs/dbraw/zinc/24/50/99/426245099.db2.gz IKPISHFXKQEOGR-ZDUSSCGKSA-N -1 1 312.377 2.569 20 0 DFADMM C[C@@H]1CN(C)c2ccccc2N(C(=O)c2ccc(O)cc2[O-])C1 ZINC000173751547 426247610 /nfs/dbraw/zinc/24/76/10/426247610.db2.gz JITZWZODRQDCDG-GFCCVEGCSA-N -1 1 312.369 2.831 20 0 DFADMM CC1(C)[C@H]([N-]S(=O)(=O)c2cc3ccccc3o2)[C@@H]2CCO[C@@H]21 ZINC000084938811 426247681 /nfs/dbraw/zinc/24/76/81/426247681.db2.gz XMXGISNZRUNUOG-GLQYFDAESA-N -1 1 321.398 2.525 20 0 DFADMM Cc1ccccc1[C@H]1CN(C(=O)c2cncc([O-])c2)[C@H](C)CO1 ZINC000174345749 426253575 /nfs/dbraw/zinc/25/35/75/426253575.db2.gz HNLCKJILACTJTJ-CXAGYDPISA-N -1 1 312.369 2.698 20 0 DFADMM CCc1ccc(CN(C)C(=O)c2c[n-]c3c(cnn3C)c2=O)cc1 ZINC000119109864 426262870 /nfs/dbraw/zinc/26/28/70/426262870.db2.gz YTZVOFYHTLRZOV-UHFFFAOYSA-N -1 1 324.384 2.509 20 0 DFADMM O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)c1cc(F)ccc1[O-] ZINC000080029862 426209916 /nfs/dbraw/zinc/20/99/16/426209916.db2.gz ODEDIRJWHPSAON-CQSZACIVSA-N -1 1 317.316 2.951 20 0 DFADMM CC(C)OCCS(=O)(=O)[N-]c1ccc2nc(C3CC3)oc2c1 ZINC000080311313 426213673 /nfs/dbraw/zinc/21/36/73/426213673.db2.gz FCGWUNKDRZHLHF-UHFFFAOYSA-N -1 1 324.402 2.872 20 0 DFADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)OC)c2)c1 ZINC000080925914 426217224 /nfs/dbraw/zinc/21/72/24/426217224.db2.gz QCFZXULULLCBBI-UHFFFAOYSA-N -1 1 319.382 2.836 20 0 DFADMM C[NH+](C)Cc1ccc(CNC(=O)c2c([O-])cccc2F)cc1 ZINC000120033005 426305860 /nfs/dbraw/zinc/30/58/60/426305860.db2.gz CCVKMDCFRXMNMH-UHFFFAOYSA-N -1 1 302.349 2.523 20 0 DFADMM COc1cc(C(=O)Nc2cccnc2OC)cc(Cl)c1[O-] ZINC000153596645 426394260 /nfs/dbraw/zinc/39/42/60/426394260.db2.gz WUNYYEWZBSNCPP-UHFFFAOYSA-N -1 1 308.721 2.710 20 0 DFADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)cc1 ZINC000176669261 426403231 /nfs/dbraw/zinc/40/32/31/426403231.db2.gz AKFZBAWMMOMKKL-UHFFFAOYSA-N -1 1 322.361 2.893 20 0 DFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[C@@H](C)CC1 ZINC000176140720 426354474 /nfs/dbraw/zinc/35/44/74/426354474.db2.gz CEVZMQHRYOHLLI-LLVKDONJSA-N -1 1 305.422 2.638 20 0 DFADMM O=C(Nc1ccnn1-c1cccc(Cl)c1)c1cncc([O-])c1 ZINC000339925311 268916644 /nfs/dbraw/zinc/91/66/44/268916644.db2.gz YLRWKUVFZBYWFV-UHFFFAOYSA-N -1 1 314.732 2.879 20 0 DFADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1CCCc2sccc21 ZINC000122368871 426371848 /nfs/dbraw/zinc/37/18/48/426371848.db2.gz SLRPLUJTOVJKPJ-ZETCQYMHSA-N -1 1 316.308 2.944 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H](C)CCC(C)(C)C ZINC000176360442 426374585 /nfs/dbraw/zinc/37/45/85/426374585.db2.gz PVVQCGRXCYBVEC-VIFPVBQESA-N -1 1 311.451 2.745 20 0 DFADMM Cc1ccc(S(=O)(=O)Nc2cc(C[NH+](C)C)ccn2)cc1C ZINC000176421146 426379852 /nfs/dbraw/zinc/37/98/52/426379852.db2.gz DALQOCISTVVPFM-UHFFFAOYSA-N -1 1 319.430 2.561 20 0 DFADMM O=C(c1ncccc1[O-])N(CCc1cccc(F)c1)C1CC1 ZINC000153824802 426408127 /nfs/dbraw/zinc/40/81/27/426408127.db2.gz CJVOGURQGLAEBA-UHFFFAOYSA-N -1 1 300.333 2.774 20 0 DFADMM CCC[C@@H](NC(=O)C[C@H]1CCCc2ccccc21)c1nn[n-]n1 ZINC000176747930 426410579 /nfs/dbraw/zinc/41/05/79/426410579.db2.gz HTCINDSOIHDREP-UKRRQHHQSA-N -1 1 313.405 2.667 20 0 DFADMM CCC[C@@H](NC(=O)c1csc2c1CC[C@H](C)C2)c1nn[n-]n1 ZINC000176753945 426411240 /nfs/dbraw/zinc/41/12/40/426411240.db2.gz ACEAHDFZRCQYKZ-JOYOIKCWSA-N -1 1 319.434 2.657 20 0 DFADMM O=C(Nc1nnn[n-]1)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000176758328 426411548 /nfs/dbraw/zinc/41/15/48/426411548.db2.gz PLFIJCAABZEINS-UHFFFAOYSA-N -1 1 312.160 2.567 20 0 DFADMM O=C(Nc1nn[n-]n1)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000176758328 426411550 /nfs/dbraw/zinc/41/15/50/426411550.db2.gz PLFIJCAABZEINS-UHFFFAOYSA-N -1 1 312.160 2.567 20 0 DFADMM CCC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)c1nn[n-]n1 ZINC000176765300 426412700 /nfs/dbraw/zinc/41/27/00/426412700.db2.gz SUEIYCKJWKMLLV-JTQLQIEISA-N -1 1 314.176 2.778 20 0 DFADMM CCC[C@H](NC(=O)c1ccc(CSCC)cc1)c1nn[n-]n1 ZINC000176778297 426413967 /nfs/dbraw/zinc/41/39/67/426413967.db2.gz BLAFQVQNFKILON-ZDUSSCGKSA-N -1 1 319.434 2.724 20 0 DFADMM CCCOc1ccc(CNC(=O)c2c([O-])cccc2F)cn1 ZINC000123669858 426447209 /nfs/dbraw/zinc/44/72/09/426447209.db2.gz DYAGYSYUAQCBOM-UHFFFAOYSA-N -1 1 304.321 2.645 20 0 DFADMM CC(C)CCOCC[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000340871825 269025161 /nfs/dbraw/zinc/02/51/61/269025161.db2.gz OLWJQSZBVVLUOJ-UHFFFAOYSA-N -1 1 323.817 2.820 20 0 DFADMM COc1ccc(CNC(=O)c2c(F)ccc([O-])c2F)cc1F ZINC000341163660 269050831 /nfs/dbraw/zinc/05/08/31/269050831.db2.gz AMBPNBMUUPJISF-UHFFFAOYSA-N -1 1 311.259 2.748 20 0 DFADMM COc1ccc(F)c([N-]S(=O)(=O)c2ccccc2OC)c1 ZINC000123701431 426448607 /nfs/dbraw/zinc/44/86/07/426448607.db2.gz GXQRNRUMRMQIIE-UHFFFAOYSA-N -1 1 311.334 2.644 20 0 DFADMM O=C(c1ccc(Cl)cc1[O-])N1CCC(n2ccnc2)CC1 ZINC000101950857 426487164 /nfs/dbraw/zinc/48/71/64/426487164.db2.gz INKFSHPDYXZFQV-UHFFFAOYSA-N -1 1 305.765 2.719 20 0 DFADMM O=C(c1c[nH]c2ccccc2c1=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000101950349 426487251 /nfs/dbraw/zinc/48/72/51/426487251.db2.gz PVTGDONTTNSYRM-HNNXBMFYSA-N -1 1 322.368 2.619 20 0 DFADMM Cn1nc(C2CCCCC2)cc1NC(=O)c1cncc([O-])c1 ZINC000177828945 426526168 /nfs/dbraw/zinc/52/61/68/426526168.db2.gz GZXOUQIPGJQHER-UHFFFAOYSA-N -1 1 300.362 2.821 20 0 DFADMM CC(C)CC[C@@H](O)CN(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000280284246 426540362 /nfs/dbraw/zinc/54/03/62/426540362.db2.gz SWBVSFFIALNXAZ-LLVKDONJSA-N -1 1 309.435 2.626 20 0 DFADMM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000186161139 426489673 /nfs/dbraw/zinc/48/96/73/426489673.db2.gz YFAOSWSRXGHXNG-NEPJUHHUSA-N -1 1 318.377 2.989 20 0 DFADMM CN(CC1(c2ccccc2)CC1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000289040504 426572243 /nfs/dbraw/zinc/57/22/43/426572243.db2.gz NHEXFVIPPDQMQO-UHFFFAOYSA-N -1 1 309.365 2.765 20 0 DFADMM C[C@H](C[N-]S(=O)(=O)c1cccc(F)c1F)c1nccs1 ZINC000186692882 426579738 /nfs/dbraw/zinc/57/97/38/426579738.db2.gz NKWKOVYBFJXEHJ-MRVPVSSYSA-N -1 1 318.370 2.503 20 0 DFADMM CCOc1cc(C(=O)NC[C@@](C)(O)C(C)C)cc(Cl)c1[O-] ZINC000186842197 426598306 /nfs/dbraw/zinc/59/83/06/426598306.db2.gz QKEBKCJHLXGTMJ-OAHLLOKOSA-N -1 1 315.797 2.581 20 0 DFADMM Cc1cccc(F)c1S(=O)(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000186915109 426607217 /nfs/dbraw/zinc/60/72/17/426607217.db2.gz DIVDLTVKKJTIPV-UHFFFAOYSA-N -1 1 323.345 2.562 20 0 DFADMM CCC[C@@H](NC(=O)c1ccc(-c2ccccc2)o1)c1nn[n-]n1 ZINC000273199079 426613945 /nfs/dbraw/zinc/61/39/45/426613945.db2.gz KVGIAQPIVNXXLL-GFCCVEGCSA-N -1 1 311.345 2.731 20 0 DFADMM O=c1nc([C@@H]2CCCCN2Cc2ccc(Cl)c(F)c2)[nH][n-]1 ZINC000289394156 426646433 /nfs/dbraw/zinc/64/64/33/426646433.db2.gz RGNPSXGLBFPKHP-LBPRGKRZSA-N -1 1 310.760 2.618 20 0 DFADMM C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000265503173 426647113 /nfs/dbraw/zinc/64/71/13/426647113.db2.gz LCZPZADMXWNMJZ-ZRUHOGSISA-N -1 1 317.410 2.527 20 0 DFADMM O=C(Cc1noc(-c2cc(F)ccc2[O-])n1)NC1CCCCC1 ZINC000273381657 426654849 /nfs/dbraw/zinc/65/48/49/426654849.db2.gz GBSTYSNYSZGWBU-UHFFFAOYSA-N -1 1 319.336 2.573 20 0 DFADMM O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)C(=O)c1ccc([O-])cc1 ZINC000280795365 426658544 /nfs/dbraw/zinc/65/85/44/426658544.db2.gz 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/nfs/dbraw/zinc/72/19/64/426721964.db2.gz KLZJNFVIUKYOMR-UHFFFAOYSA-N -1 1 324.427 2.781 20 0 DFADMM CC[C@H](c1ccc(F)cc1)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000265850615 426699599 /nfs/dbraw/zinc/69/95/99/426699599.db2.gz VWISMXPIDYJLQE-GFCCVEGCSA-N -1 1 309.366 2.746 20 0 DFADMM Cc1cc(CCNC(=O)c2ccc([O-])cc2F)cc(C)c1O ZINC000188695963 426778690 /nfs/dbraw/zinc/77/86/90/426778690.db2.gz FJAFGSOUCKQGGJ-UHFFFAOYSA-N -1 1 303.333 2.826 20 0 DFADMM CO[C@@H]1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000188273309 426738671 /nfs/dbraw/zinc/73/86/71/426738671.db2.gz YLJYPLBLGRSVPV-VHSXEESVSA-N -1 1 303.280 2.708 20 0 DFADMM CC(C)Oc1cccc(CN(C)C(=O)c2cncc([O-])c2)c1 ZINC000179034288 426738804 /nfs/dbraw/zinc/73/88/04/426738804.db2.gz CIEMHSNAUVEXSO-UHFFFAOYSA-N -1 1 300.358 2.847 20 0 DFADMM O=c1cc(CN2CCO[C@@H]3CCCC[C@H]32)c2ccc([O-])cc2o1 ZINC000245565994 426753651 /nfs/dbraw/zinc/75/36/51/426753651.db2.gz QIWRSDCALAZDJP-HZPDHXFCSA-N -1 1 315.369 2.642 20 0 DFADMM 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O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccoc1Cl ZINC000236042951 271239977 /nfs/dbraw/zinc/23/99/77/271239977.db2.gz HPQSOMGTDSSCGF-UHFFFAOYSA-N -1 1 303.705 2.869 20 0 DFADMM C[C@@H]1CCCN(C(=O)c2cc(C3CCCCC3)[nH]n2)[C@H]1C(=O)[O-] ZINC000333626814 271382261 /nfs/dbraw/zinc/38/22/61/271382261.db2.gz VDUNNJTXCYDZJD-IAQYHMDHSA-N -1 1 319.405 2.783 20 0 DFADMM CCCc1cc(=O)[n-]c(S[C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)n1 ZINC000333713577 271386406 /nfs/dbraw/zinc/38/64/06/271386406.db2.gz QIDOMOLZNAKWBX-KGYLQXTDSA-N -1 1 321.446 2.674 20 0 DFADMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)n1 ZINC000253585908 427217018 /nfs/dbraw/zinc/21/70/18/427217018.db2.gz FHPKTAFHBATTTJ-WZRBSPASSA-N -1 1 323.462 2.920 20 0 DFADMM [O-]c1cccc(CN[C@@]2(CO)CCOc3ccccc32)c1Cl ZINC000293135782 427222890 /nfs/dbraw/zinc/22/28/90/427222890.db2.gz CHKJVITWRMLIGY-QGZVFWFLSA-N -1 1 319.788 2.806 20 0 DFADMM COc1cc(OC)cc(N(C)C(=O)c2cc(F)ccc2[O-])c1 ZINC000191079284 427250409 /nfs/dbraw/zinc/25/04/09/427250409.db2.gz 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/nfs/dbraw/zinc/33/69/00/427336900.db2.gz MQDNLBIMAHSZIK-CYBMUJFWSA-N -1 1 308.353 2.507 20 0 DFADMM [O-]c1ccc(F)cc1-c1nc(COCC(F)(F)C(F)F)no1 ZINC000277876063 427344944 /nfs/dbraw/zinc/34/49/44/427344944.db2.gz CZXMROINFPMCBO-UHFFFAOYSA-N -1 1 324.205 2.998 20 0 DFADMM Cc1nc(S[C@H](C(=O)NC2CCCC2)C(C)C)[n-]c(=O)c1C ZINC000330678556 427290207 /nfs/dbraw/zinc/29/02/07/427290207.db2.gz MEZPIRQYOVYYRB-ZDUSSCGKSA-N -1 1 323.462 2.975 20 0 DFADMM C[C@H](Cc1ccccc1F)[N-]S(=O)(=O)c1sccc1F ZINC000338872845 271612377 /nfs/dbraw/zinc/61/23/77/271612377.db2.gz MSFSWAZNAFFQRJ-SECBINFHSA-N -1 1 317.382 2.936 20 0 DFADMM CCc1nn(C)c(OC)c1CNCc1cccc([O-])c1Cl ZINC000293357037 427298543 /nfs/dbraw/zinc/29/85/43/427298543.db2.gz UINDDBVXBMFHOI-UHFFFAOYSA-N -1 1 309.797 2.640 20 0 DFADMM CC[C@H](C)CO[N-]C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000293604731 427379725 /nfs/dbraw/zinc/37/97/25/427379725.db2.gz CPNZCCCKXKLLAG-JLJPHGGASA-N -1 1 318.417 2.690 20 0 DFADMM CCC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1CC)c1nn[n-]n1 ZINC000338574264 427387893 /nfs/dbraw/zinc/38/78/93/427387893.db2.gz OMIPKJJKKCTJCA-ILXRZTDVSA-N -1 1 313.405 2.523 20 0 DFADMM CCCn1c2ccccc2nc1CN1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263071686 427407872 /nfs/dbraw/zinc/40/78/72/427407872.db2.gz PMEGXLJOSIQZRG-UONOGXRCSA-N -1 1 315.417 2.989 20 0 DFADMM CC(C)(C)C(=O)NCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278124007 427411725 /nfs/dbraw/zinc/41/17/25/427411725.db2.gz JQLSAUQRFJGOHP-UHFFFAOYSA-N -1 1 309.753 2.758 20 0 DFADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000263110603 427415538 /nfs/dbraw/zinc/41/55/38/427415538.db2.gz DLXLHGLEJPKGJM-WCQYABFASA-N -1 1 319.405 2.783 20 0 DFADMM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000263326260 427463373 /nfs/dbraw/zinc/46/33/73/427463373.db2.gz KPHFBCMWXKMCKR-DGCLKSJQSA-N -1 1 319.405 2.783 20 0 DFADMM Cc1nn(Cc2ccccc2)c(Cl)c1CN(C)[C@@H](C)C(=O)[O-] ZINC000271258029 427470075 /nfs/dbraw/zinc/47/00/75/427470075.db2.gz HSJJNQLXFVQDJS-LBPRGKRZSA-N -1 1 321.808 2.798 20 0 DFADMM CC(C)C1([N-]S(=O)(=O)c2sccc2Br)CC1 ZINC000293870924 427470453 /nfs/dbraw/zinc/47/04/53/427470453.db2.gz SQAAPCFXROARQS-UHFFFAOYSA-N -1 1 324.265 2.978 20 0 DFADMM CCc1nccn1[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC000263376449 427475178 /nfs/dbraw/zinc/47/51/78/427475178.db2.gz BYIZMNLTRUNSOP-MRXNPFEDSA-N -1 1 313.401 2.981 20 0 DFADMM CCCc1nc(=NC(=O)c2cc(-c3cccs3)n[nH]2)s[n-]1 ZINC000338771322 427477155 /nfs/dbraw/zinc/47/71/55/427477155.db2.gz RVGSJQCHOUTKNT-UHFFFAOYSA-N -1 1 319.415 2.616 20 0 DFADMM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000184528198 427481280 /nfs/dbraw/zinc/48/12/80/427481280.db2.gz YYKQRNWLDOQQQQ-DTWKUNHWSA-N -1 1 320.315 2.747 20 0 DFADMM CO[C@@H](CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1)C1CC1 ZINC000338779138 427483013 /nfs/dbraw/zinc/48/30/13/427483013.db2.gz SVBLPTYNUOZMBD-AWEZNQCLSA-N -1 1 314.389 2.698 20 0 DFADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC(F)(F)C(F)F)c1 ZINC000192134690 427486104 /nfs/dbraw/zinc/48/61/04/427486104.db2.gz JWONTRAISJYTQG-UHFFFAOYSA-N -1 1 319.707 2.827 20 0 DFADMM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000340914996 271757157 /nfs/dbraw/zinc/75/71/57/271757157.db2.gz VHDLBADZGRVBQX-VXGBXAGGSA-N -1 1 321.801 2.715 20 0 DFADMM O=C(CCNC(=O)c1cc(Cl)ccc1[O-])N1CCCCCC1 ZINC000331538826 427436954 /nfs/dbraw/zinc/43/69/54/427436954.db2.gz XIYVRENGFQZDRB-UHFFFAOYSA-N -1 1 324.808 2.568 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC(C)(C)[C@H]1C(C)C ZINC000293792457 427438628 /nfs/dbraw/zinc/43/86/28/427438628.db2.gz FRBIQDDBDXQULS-LLVKDONJSA-N -1 1 309.435 2.719 20 0 DFADMM CCOc1cc(C(=O)N(C)[C@@H]2CCCOC2)cc(Cl)c1[O-] ZINC000341131088 271786242 /nfs/dbraw/zinc/78/62/42/271786242.db2.gz BVCSRVCCSHPBLE-LLVKDONJSA-N -1 1 313.781 2.695 20 0 DFADMM O=C([N-]c1nnc(C2CCOCC2)s1)c1conc1C1CC1 ZINC000293967958 427508399 /nfs/dbraw/zinc/50/83/99/427508399.db2.gz BEMIBVKJLRPZIZ-UHFFFAOYSA-N -1 1 320.374 2.550 20 0 DFADMM Cc1cc(Br)c(CN(C)C[C@H](C)C(=O)[O-])s1 ZINC000263518518 427508704 /nfs/dbraw/zinc/50/87/04/427508704.db2.gz PVTOPDACELEFJL-ZETCQYMHSA-N -1 1 306.225 2.972 20 0 DFADMM C[C@](O)(CNc1ccnc2cc(C(F)(F)F)ccc21)C(=O)[O-] ZINC000263546144 427515833 /nfs/dbraw/zinc/51/58/33/427515833.db2.gz HCZKCCMNLRNERR-ZDUSSCGKSA-N -1 1 314.263 2.501 20 0 DFADMM O=S(=O)([N-]CCc1cccc(F)c1)c1sccc1F ZINC000338849220 427520617 /nfs/dbraw/zinc/52/06/17/427520617.db2.gz AGSWFINARHASBY-UHFFFAOYSA-N -1 1 303.355 2.547 20 0 DFADMM O=S(=O)([N-]CCc1ccccc1F)c1sccc1F ZINC000338852219 427522109 /nfs/dbraw/zinc/52/21/09/427522109.db2.gz SEQLRUDVVPBYIQ-UHFFFAOYSA-N -1 1 303.355 2.547 20 0 DFADMM CCOC[C@@H](C)NC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000338857662 427524777 /nfs/dbraw/zinc/52/47/77/427524777.db2.gz LHRQQVMUBVONNJ-SECBINFHSA-N -1 1 308.765 2.749 20 0 DFADMM CC[C@@H]([N-]S(=O)(=O)c1sccc1F)c1nccs1 ZINC000338897165 427545144 /nfs/dbraw/zinc/54/51/44/427545144.db2.gz BOSHTVXKXYFRNR-MRVPVSSYSA-N -1 1 306.409 2.773 20 0 DFADMM C[C@@H](C1CCCCC1)N(C)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287031291 427552249 /nfs/dbraw/zinc/55/22/49/427552249.db2.gz CQPAHNVEZVTJNH-BMOWLENRSA-N -1 1 315.421 2.774 20 0 DFADMM C[C@@H]1C[C@@H](C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)CC(C)(C)C1 ZINC000332484549 427618275 /nfs/dbraw/zinc/61/82/75/427618275.db2.gz XPJSELDVKYPUGD-DGCLKSJQSA-N -1 1 321.421 2.944 20 0 DFADMM COc1ccc2c(c1)[n-]cc(C(=O)N(C)C1CCCC1)c2=O ZINC000298281669 427559529 /nfs/dbraw/zinc/55/95/29/427559529.db2.gz XFMRSYMRIYVYAW-UHFFFAOYSA-N -1 1 300.358 2.964 20 0 DFADMM CC(C)N(CC(=O)[N-]OCc1ccccc1)Cc1ccco1 ZINC000271495254 427561382 /nfs/dbraw/zinc/56/13/82/427561382.db2.gz JVRRVULGQPLDNK-UHFFFAOYSA-N -1 1 302.374 2.738 20 0 DFADMM O=C(c1ccc(C(F)F)cc1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000332268259 427562796 /nfs/dbraw/zinc/56/27/96/427562796.db2.gz CHLLYPQGRHXANL-NSHDSACASA-N -1 1 323.299 2.733 20 0 DFADMM CSc1ccc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cc1 ZINC000332330745 427580235 /nfs/dbraw/zinc/58/02/35/427580235.db2.gz NBGJKGJCUUWBOK-NSHDSACASA-N -1 1 319.386 2.517 20 0 DFADMM CCC[C@H](NCC(=O)Nc1c(C)cccc1C(C)C)C(=O)[O-] ZINC000185043966 427585551 /nfs/dbraw/zinc/58/55/51/427585551.db2.gz NFSRSGVLPWTOJZ-AWEZNQCLSA-N -1 1 306.406 2.900 20 0 DFADMM CCC[C@H](N[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1)C(=O)[O-] ZINC000185051205 427587125 /nfs/dbraw/zinc/58/71/25/427587125.db2.gz SSWHGHNPEZKERK-FRRDWIJNSA-N -1 1 324.446 2.643 20 0 DFADMM CC(C)CC[C@H]1CCCN1C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287354765 427587857 /nfs/dbraw/zinc/58/78/57/427587857.db2.gz YLKSJGJDQWYXLB-LKCUONQHSA-N -1 1 315.421 2.774 20 0 DFADMM Cc1ccc(CN(C)C(=O)c2nc3ccccc3c(=O)[n-]2)cc1 ZINC000192751098 427603092 /nfs/dbraw/zinc/60/30/92/427603092.db2.gz YTDVUFSJIRSCNS-UHFFFAOYSA-N -1 1 307.353 2.504 20 0 DFADMM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2sccc2F)C[C@H](C)O1 ZINC000338980608 427604818 /nfs/dbraw/zinc/60/48/18/427604818.db2.gz AKLHGONIVPILPJ-JGPRNRPPSA-N -1 1 321.439 2.759 20 0 DFADMM CC(C)[C@@H](C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccccc1 ZINC000279289370 427626332 /nfs/dbraw/zinc/62/63/32/427626332.db2.gz XVRZXXAZUQPQCE-KQRQPNSISA-N -1 1 308.385 2.720 20 0 DFADMM CN1C(=O)CC[C@H](C(=O)[N-]OC2CCCC2)[C@H]1c1ccccc1 ZINC000272098227 427633199 /nfs/dbraw/zinc/63/31/99/427633199.db2.gz KVYUFLWILPFZER-DOTOQJQBSA-N -1 1 316.401 2.587 20 0 DFADMM CC(C)CN(CC(C)(C)C)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287580239 427644234 /nfs/dbraw/zinc/64/42/34/427644234.db2.gz LHSJMPCORVPESX-ZHZULCJRSA-N -1 1 317.437 2.878 20 0 DFADMM CC[C@@H]1CN(Cc2cccc([O-])c2Cl)C[C@H](C)[S@]1=O ZINC000294824887 427661354 /nfs/dbraw/zinc/66/13/54/427661354.db2.gz XYAIICQWHJYKGK-KFHAODIQSA-N -1 1 301.839 2.777 20 0 DFADMM FC(F)(F)c1nc(=NCCOc2ncccc2Cl)s[n-]1 ZINC000342694418 272043591 /nfs/dbraw/zinc/04/35/91/272043591.db2.gz VHFGPBKUGXWLEP-UHFFFAOYSA-N -1 1 324.715 2.518 20 0 DFADMM O=C(NCC(F)(F)c1ccc(Cl)cc1)c1cncc([O-])c1 ZINC000343133055 272091031 /nfs/dbraw/zinc/09/10/31/272091031.db2.gz UUPPKTLEFNBEFA-UHFFFAOYSA-N -1 1 312.703 2.962 20 0 DFADMM COC(=O)c1cccc2nc(NC(=O)[C@H](C)C(C)(F)F)[nH]c21 ZINC000343241300 272102968 /nfs/dbraw/zinc/10/29/68/272102968.db2.gz XETBQMBOPYFKRX-ZETCQYMHSA-N -1 1 311.288 2.579 20 0 DFADMM Cc1ccc([C@@H](C)N(C)C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)cc1 ZINC000287716239 427677024 /nfs/dbraw/zinc/67/70/24/427677024.db2.gz SIBDHUZRCPYLAY-QIAIEURZSA-N -1 1 323.400 2.875 20 0 DFADMM Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3CCCc4cccnc43)n2)o1 ZINC000193268461 427679340 /nfs/dbraw/zinc/67/93/40/427679340.db2.gz OGPBLLYLQJQJSN-GFCCVEGCSA-N -1 1 323.356 2.827 20 0 DFADMM O=C(COc1ccccc1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000339116803 427683245 /nfs/dbraw/zinc/68/32/45/427683245.db2.gz BPOVMKCZHOKKAI-UHFFFAOYSA-N -1 1 309.325 2.800 20 0 DFADMM Cc1cc([N-]S(=O)(=O)C2CC2)nn1-c1ccccc1Cl ZINC000185634324 427683513 /nfs/dbraw/zinc/68/35/13/427683513.db2.gz GICCOAYLWZARFF-UHFFFAOYSA-N -1 1 311.794 2.738 20 0 DFADMM O=S(=O)([N-]C[C@@H]1CCCSC1)c1c(F)cccc1Cl ZINC000344972844 272389312 /nfs/dbraw/zinc/38/93/12/272389312.db2.gz TVRBRFDTIPCZST-VIFPVBQESA-N -1 1 323.842 2.901 20 0 DFADMM Cc1cc(S(=O)(=O)Nc2c(C)cccc2C(=O)[O-])c(C)o1 ZINC000345089614 272405634 /nfs/dbraw/zinc/40/56/34/272405634.db2.gz HRBFZHSYDCNBGD-UHFFFAOYSA-N -1 1 309.343 2.704 20 0 DFADMM O=C(c1ccc2c(c1O)CCCC2)N1CCC[N@H+](C2CC2)CC1 ZINC000185689319 427690403 /nfs/dbraw/zinc/69/04/03/427690403.db2.gz SXMFJJUIIHUXNO-UHFFFAOYSA-N -1 1 314.429 2.581 20 0 DFADMM C[C@@H]1C[C@@H](C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)CC(C)(C)C1 ZINC000279727382 427717804 /nfs/dbraw/zinc/71/78/04/427717804.db2.gz IWOAGUHFUADDKX-LCJLFDQKSA-N -1 1 300.406 2.743 20 0 DFADMM O=C(NCCc1ccc2c(c1)CCO2)c1c(F)ccc([O-])c1F ZINC000339345284 427757318 /nfs/dbraw/zinc/75/73/18/427757318.db2.gz PRFIMMMUJIBRLK-UHFFFAOYSA-N -1 1 319.307 2.578 20 0 DFADMM Cc1nc(-c2cccc(C(=O)Nc3ccncc3[O-])c2)cs1 ZINC000345360297 272461179 /nfs/dbraw/zinc/46/11/79/272461179.db2.gz NJBVIVUYPDYJTN-UHFFFAOYSA-N -1 1 311.366 2.893 20 0 DFADMM O=C(Nc1ccncc1[O-])c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000336893993 427771505 /nfs/dbraw/zinc/77/15/05/427771505.db2.gz LJLINSPXHCJJKV-UHFFFAOYSA-N -1 1 307.353 2.822 20 0 DFADMM NC(=O)COc1cccc(NCc2cccc([O-])c2Cl)c1 ZINC000336901831 427773316 /nfs/dbraw/zinc/77/33/16/427773316.db2.gz SZMYWIKCVWNQRM-UHFFFAOYSA-N -1 1 306.749 2.522 20 0 DFADMM O=C(CCCc1cccs1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000339193047 427724765 /nfs/dbraw/zinc/72/47/65/427724765.db2.gz OSVYKCCLHWORPM-UHFFFAOYSA-N -1 1 321.402 2.566 20 0 DFADMM COc1ccccc1NS(=O)(=O)c1cccc(Cl)c1[O-] ZINC000339207631 427732132 /nfs/dbraw/zinc/73/21/32/427732132.db2.gz ZDKWSXLFMYQNQR-UHFFFAOYSA-N -1 1 313.762 2.855 20 0 DFADMM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)C(F)(F)F ZINC000345642528 272508663 /nfs/dbraw/zinc/50/86/63/272508663.db2.gz PEMKCYFKOADTND-JTQLQIEISA-N -1 1 317.279 2.830 20 0 DFADMM C[C@H](NCc1cccc([O-])c1Cl)c1nnc2n1CCCC2 ZINC000339286515 427750860 /nfs/dbraw/zinc/75/08/60/427750860.db2.gz UDHKDYLGZZFZNH-JTQLQIEISA-N -1 1 306.797 2.824 20 0 DFADMM Cc1nc(-c2ccc(NC[C@H](O)CC(C)C)nc2)[n-]c(=O)c1C ZINC000301405714 427794894 /nfs/dbraw/zinc/79/48/94/427794894.db2.gz LOUZXJDZABZKBG-CQSZACIVSA-N -1 1 316.405 2.680 20 0 DFADMM C[C@H](CCNC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccccc1 ZINC000337261507 427827101 /nfs/dbraw/zinc/82/71/01/427827101.db2.gz YCPINIFSGMFISO-CYBMUJFWSA-N -1 1 321.380 2.847 20 0 DFADMM CC(C)CCc1cc([N-]S(=O)(=O)c2cccc(F)c2)[nH]n1 ZINC000345688523 427860645 /nfs/dbraw/zinc/86/06/45/427860645.db2.gz ICKOKJXGEUUTSD-UHFFFAOYSA-N -1 1 311.382 2.938 20 0 DFADMM CO[C@H](CNC(=O)c1cncc([O-])c1)c1ccc(Cl)cc1 ZINC000339901037 427866989 /nfs/dbraw/zinc/86/69/89/427866989.db2.gz NPIVGRQRKTYTFO-CQSZACIVSA-N -1 1 306.749 2.558 20 0 DFADMM O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cncc([O-])c1 ZINC000339908987 427869397 /nfs/dbraw/zinc/86/93/97/427869397.db2.gz UUGOTBWDYHMLIG-KOLCDFICSA-N -1 1 302.296 2.886 20 0 DFADMM O=c1cc(/C=C/c2ccc(Cl)c(Cl)c2)nc2nc[n-]n21 ZINC000339956952 427885261 /nfs/dbraw/zinc/88/52/61/427885261.db2.gz 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429343996 /nfs/dbraw/zinc/34/39/96/429343996.db2.gz BTIHBECZAMHBOS-SNVBAGLBSA-N -1 1 317.307 2.958 20 0 DFADMM Cc1nc(CNCc2cc3ccc(F)cc3[nH]2)ccc1C(=O)[O-] ZINC000426665542 429409214 /nfs/dbraw/zinc/40/92/14/429409214.db2.gz XGIGNISNOHOWEF-UHFFFAOYSA-N -1 1 313.332 2.998 20 0 DFADMM COC(=O)C1CCC(C(=O)Nc2ccc([O-])c(F)c2F)CC1 ZINC000456790188 429349853 /nfs/dbraw/zinc/34/98/53/429349853.db2.gz VYIMYRCWFUAQND-UHFFFAOYSA-N -1 1 313.300 2.588 20 0 DFADMM C[C@@H](C1CC1)n1cc([N-]c2nnc(-c3ccccn3)s2)cn1 ZINC000516806004 429383512 /nfs/dbraw/zinc/38/35/12/429383512.db2.gz IPOPDUORMUSEPZ-JTQLQIEISA-N -1 1 312.402 3.511 20 0 DFADMM CCN(C(=O)c1ncccc1[O-])[C@H](COC)Cc1ccccc1 ZINC000427256239 429442251 /nfs/dbraw/zinc/44/22/51/429442251.db2.gz KIBCTHVXHACAEP-HNNXBMFYSA-N -1 1 314.385 2.507 20 0 DFADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1C[C@@H]2CCCCCC[C@@H]21 ZINC000366268624 429444790 /nfs/dbraw/zinc/44/47/90/429444790.db2.gz LUGYBFIKFWDGGD-WFASDCNBSA-N -1 1 311.385 2.718 20 0 DFADMM 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CCOC(=O)c1nc(C)[nH]c1NC(=O)Cc1ccc(Cl)cc1 ZINC000584261639 332174091 /nfs/dbraw/zinc/17/40/91/332174091.db2.gz OCNWAOSOEROFTL-UHFFFAOYSA-N -1 1 321.764 2.729 20 0 DFADMM CC(C)(C)CS(=O)(=O)Nc1c(C(=O)[O-])ccc2cccnc21 ZINC000584472993 337345816 /nfs/dbraw/zinc/34/58/16/337345816.db2.gz MLXXRXWRFYOFCD-UHFFFAOYSA-N -1 1 322.386 2.721 20 0 DFADMM O=S(=O)([N-]C[C@H]1CCCC1(F)F)c1cccc(F)c1F ZINC000451823208 500689113 /nfs/dbraw/zinc/68/91/13/500689113.db2.gz MUCGKVMJVVKRSF-MRVPVSSYSA-N -1 1 311.300 2.679 20 0 DFADMM C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC000294943618 533761754 /nfs/dbraw/zinc/76/17/54/533761754.db2.gz VNFXOIJVVWSHKF-ZYHUDNBSSA-N -1 1 304.419 2.669 20 0 DFADMM CS[C@@H]1CCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000294443764 533975828 /nfs/dbraw/zinc/97/58/28/533975828.db2.gz RGHUALHTLKNAES-SECBINFHSA-N -1 1 316.220 2.732 20 0 DFADMM C[C@@H]1OCC[C@@]12CN(Cc1cccc([O-])c1Cl)C[C@@H](C)O2 ZINC000294737382 534191501 /nfs/dbraw/zinc/19/15/01/534191501.db2.gz QLQACVJFKXYZPI-BFQNTYOBSA-N -1 1 311.809 2.814 20 0 DFADMM CC(C)CN1N=C(C(=O)Nc2ccc([O-])c(Cl)c2)CCC1=O ZINC000154521905 519733036 /nfs/dbraw/zinc/73/30/36/519733036.db2.gz LGGQCLAELIHMTC-UHFFFAOYSA-N -1 1 323.780 2.619 20 0 DFADMM CCn1ncc2c1CCC[C@H]2NC(=O)c1cc(F)ccc1[O-] ZINC000364210928 523698016 /nfs/dbraw/zinc/69/80/16/523698016.db2.gz MQWAQGPVYKHQLN-CYBMUJFWSA-N -1 1 303.337 2.555 20 0 DFADMM Cc1cn2c(n1)CC[C@@H](NC(=O)c1cc3ccccc3cc1[O-])C2 ZINC000156480452 525916127 /nfs/dbraw/zinc/91/61/27/525916127.db2.gz HDJQSYADSNCYFW-OAHLLOKOSA-N -1 1 321.380 2.795 20 0 DFADMM C[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)NC1CCCC1 ZINC000188142353 526001984 /nfs/dbraw/zinc/00/19/84/526001984.db2.gz FQNDOMZHNOQJPW-VIFPVBQESA-N -1 1 307.419 2.599 20 0 DFADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc3c2CCO3)c1 ZINC000358489580 534906975 /nfs/dbraw/zinc/90/69/75/534906975.db2.gz AEFNHCBQMHVJAR-UHFFFAOYSA-N -1 1 317.366 2.625 20 0 DFADMM C/C=C/C[C@@H](CO)Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000302234993 526272391 /nfs/dbraw/zinc/27/23/91/526272391.db2.gz DWGGLRIIHXUDRR-NNTXTVRGSA-N -1 1 314.389 2.600 20 0 DFADMM O=C(c1c([O-])cnc2ccccc21)N1CCC(c2cn[nH]c2)CC1 ZINC000366058806 526579647 /nfs/dbraw/zinc/57/96/47/526579647.db2.gz GTCXGFGGPDYHGS-UHFFFAOYSA-N -1 1 322.368 2.683 20 0 DFADMM CC1CCN(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)CC1 ZINC000331942826 528259561 /nfs/dbraw/zinc/25/95/61/528259561.db2.gz PUOGNGNWQHYUAY-UHFFFAOYSA-N -1 1 321.402 2.730 20 0 DFADMM CCOC(=O)C(C)(C)O[N-]C(=O)CCc1ccc(Cl)cc1 ZINC000295715361 528560578 /nfs/dbraw/zinc/56/05/78/528560578.db2.gz PTMYCKIGTFYTNZ-UHFFFAOYSA-N -1 1 313.781 2.662 20 0 DFADMM CC1(C)CN(C(=O)c2ccc3n[n-]c(=S)n3c2)[C@H]2CCC[C@H]21 ZINC000294734285 529106641 /nfs/dbraw/zinc/10/66/41/529106641.db2.gz LVFJIJNEQOXKMC-NEPJUHHUSA-N -1 1 316.430 2.669 20 0 DFADMM CC(C)(C)c1ccccc1NC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000164664163 535128090 /nfs/dbraw/zinc/12/80/90/535128090.db2.gz UBSPJMMWWFJUIN-ZDUSSCGKSA-N -1 1 318.417 2.719 20 0 DFADMM CCOc1cc(C(=O)NCc2ccc(F)cn2)cc(Cl)c1[O-] ZINC000357992488 535664493 /nfs/dbraw/zinc/66/44/93/535664493.db2.gz QORYLPNZGMDEOM-UHFFFAOYSA-N -1 1 324.739 2.908 20 0 DFADMM COc1ccc(F)cc1[C@H](C)NC(=O)c1ncc(C)cc1[O-] ZINC000358608032 536639089 /nfs/dbraw/zinc/63/90/89/536639089.db2.gz ZXNVWJHJXPURMH-JTQLQIEISA-N -1 1 304.321 2.734 20 0 DFADMM O=C(Nc1cnn(-c2ccncc2)c1)c1cc(F)c([O-])c(F)c1 ZINC000680817181 545545978 /nfs/dbraw/zinc/54/59/78/545545978.db2.gz RYASJUFFGHGELQ-UHFFFAOYSA-N -1 1 316.267 2.503 20 0 DFADMM CCOc1cc(C(=O)N2CCCOC[C@@H]2C)cc(Cl)c1[O-] ZINC000680817613 545546055 /nfs/dbraw/zinc/54/60/55/545546055.db2.gz OJBIOKQUYMBBBH-JTQLQIEISA-N -1 1 313.781 2.695 20 0 DFADMM CSc1ccncc1[N-]S(=O)(=O)Cc1ccccc1F ZINC000680815250 545546289 /nfs/dbraw/zinc/54/62/89/545546289.db2.gz ZURCFEWUWGAOHC-UHFFFAOYSA-N -1 1 312.391 2.885 20 0 DFADMM COCCN(Cc1cccs1)C(=O)c1ccc([O-])c(F)c1 ZINC000681017195 545582687 /nfs/dbraw/zinc/58/26/87/545582687.db2.gz YVQOOXGPHBTTPM-UHFFFAOYSA-N -1 1 309.362 2.882 20 0 DFADMM Cc1cccc(N2CCN(C(=O)c3ccc([O-])c(F)c3)CC2)c1 ZINC000681016404 545582821 /nfs/dbraw/zinc/58/28/21/545582821.db2.gz VMNNWFHIRUGCAC-UHFFFAOYSA-N -1 1 314.360 2.802 20 0 DFADMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc2c(c1)OCCO2 ZINC000681016328 545582975 /nfs/dbraw/zinc/58/29/75/545582975.db2.gz NHZJPPMOWHYOML-SNVBAGLBSA-N -1 1 317.316 2.794 20 0 DFADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000681018203 545583149 /nfs/dbraw/zinc/58/31/49/545583149.db2.gz KJYVKRYSIZEIJN-JTQLQIEISA-N -1 1 321.270 2.715 20 0 DFADMM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc([O-])c(F)c2)C12CCC2 ZINC000681055739 545590117 /nfs/dbraw/zinc/59/01/17/545590117.db2.gz AQONATGWEYNJJI-CABCVRRESA-N -1 1 307.365 2.951 20 0 DFADMM Cc1nc(CNC(=O)c2ccc([O-])c(F)c2)nc2ccccc12 ZINC000681038597 545586337 /nfs/dbraw/zinc/58/63/37/545586337.db2.gz BBZZLHMENUWBMT-UHFFFAOYSA-N -1 1 311.316 2.713 20 0 DFADMM C[C@@H](CNC(=O)c1ccc([O-])c(F)c1)Oc1ccc(F)cc1 ZINC000681049759 545589172 /nfs/dbraw/zinc/58/91/72/545589172.db2.gz GZQXDHNMSCIMCY-JTQLQIEISA-N -1 1 307.296 2.868 20 0 DFADMM O=C(c1ccc([O-])c(F)c1)N1CCO[C@@H](c2ccsc2)C1 ZINC000681055392 545589730 /nfs/dbraw/zinc/58/97/30/545589730.db2.gz HSYPZSOIZRHETC-CQSZACIVSA-N -1 1 307.346 2.807 20 0 DFADMM CCN(C[C@H]1CCOC1)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000682358861 545828948 /nfs/dbraw/zinc/82/89/48/545828948.db2.gz PYFBZSZEHLGKQZ-SNVBAGLBSA-N -1 1 313.781 2.553 20 0 DFADMM COc1cc(OC)cc(N(C)C(=O)c2ccc([O-])c(F)c2)c1 ZINC000682550864 545872901 /nfs/dbraw/zinc/87/29/01/545872901.db2.gz LMLXZRCCVIGPAM-UHFFFAOYSA-N -1 1 305.305 2.825 20 0 DFADMM COCCNc1ccccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000682943166 545945070 /nfs/dbraw/zinc/94/50/70/545945070.db2.gz YROOTCGFRXAEDI-UHFFFAOYSA-N -1 1 304.321 2.842 20 0 DFADMM CC[C@@H](C)c1nnc([C@H](C)NC(=O)c2ccc([O-])c(F)c2)[nH]1 ZINC000683122061 545976085 /nfs/dbraw/zinc/97/60/85/545976085.db2.gz UATMXUAQTIXSGB-BDAKNGLRSA-N -1 1 306.341 2.654 20 0 DFADMM O=C(N[C@H]1CCc2cc(O)ccc2C1)c1cc(F)ccc1[O-] ZINC000683506886 546046898 /nfs/dbraw/zinc/04/68/98/546046898.db2.gz BWDIPKRUMLRZNI-ZDUSSCGKSA-N -1 1 301.317 2.524 20 0 DFADMM COc1ccc(-c2nnc([N-]C(=O)c3nccs3)s2)cc1 ZINC000683565010 546061323 /nfs/dbraw/zinc/06/13/23/546061323.db2.gz ZXKZREFDPQQDJF-UHFFFAOYSA-N -1 1 318.383 2.923 20 0 DFADMM CC[C@@](C)(OC)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000684562386 546244334 /nfs/dbraw/zinc/24/43/34/546244334.db2.gz VYLRYLKEEHLMPY-GOSISDBHSA-N -1 1 319.401 2.629 20 0 DFADMM Cc1cc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1C(C)C ZINC000737277825 598979603 /nfs/dbraw/zinc/97/96/03/598979603.db2.gz AMKPECDKYZHNGF-UHFFFAOYSA-N -1 1 323.356 2.913 20 0 DFADMM Cc1cc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1C(C)C ZINC000737277825 598979604 /nfs/dbraw/zinc/97/96/04/598979604.db2.gz AMKPECDKYZHNGF-UHFFFAOYSA-N -1 1 323.356 2.913 20 0 DFADMM CCC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000736431274 598983103 /nfs/dbraw/zinc/98/31/03/598983103.db2.gz DETIFSKNGSUMFI-CQSZACIVSA-N -1 1 322.372 2.533 20 0 DFADMM CCC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000736431274 598983106 /nfs/dbraw/zinc/98/31/06/598983106.db2.gz DETIFSKNGSUMFI-CQSZACIVSA-N -1 1 322.372 2.533 20 0 DFADMM CCCCc1nc2ccc(NC(=O)CCNC(=O)[O-])cc2[nH]1 ZINC000737004127 599726263 /nfs/dbraw/zinc/72/62/63/599726263.db2.gz MQNYPRWPOCXJPH-UHFFFAOYSA-N -1 1 304.350 2.502 20 0 DFADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(F)cc2Cl)o1 ZINC000020595326 599734564 /nfs/dbraw/zinc/73/45/64/599734564.db2.gz BLPKDDDYNZCJEL-UHFFFAOYSA-N -1 1 319.697 2.571 20 0 DFADMM C[C@H](Cc1ccccc1)OC(=O)c1sccc1-c1nn[n-]n1 ZINC000736057683 599026447 /nfs/dbraw/zinc/02/64/47/599026447.db2.gz JCBOIPGWOLSHLO-SNVBAGLBSA-N -1 1 314.370 2.716 20 0 DFADMM C[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)CC[C@@H]1c1ccccc1 ZINC000820774380 599050716 /nfs/dbraw/zinc/05/07/16/599050716.db2.gz BOYCPRCPHVVCRS-ZFWWWQNUSA-N -1 1 320.400 2.892 20 0 DFADMM C[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)CC[C@@H]1c1ccccc1 ZINC000820774380 599050719 /nfs/dbraw/zinc/05/07/19/599050719.db2.gz BOYCPRCPHVVCRS-ZFWWWQNUSA-N -1 1 320.400 2.892 20 0 DFADMM CS[C@@H]1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000821951536 599074157 /nfs/dbraw/zinc/07/41/57/599074157.db2.gz ZZHHCZGVOAWQHL-NTSWFWBYSA-N -1 1 316.843 2.673 20 0 DFADMM CS[C@@H]1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000821951536 599074160 /nfs/dbraw/zinc/07/41/60/599074160.db2.gz ZZHHCZGVOAWQHL-NTSWFWBYSA-N -1 1 316.843 2.673 20 0 DFADMM CC[C@]1(C)CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000820949483 599089194 /nfs/dbraw/zinc/08/91/94/599089194.db2.gz BATSSZRXDDESJA-QGZVFWFLSA-N -1 1 323.404 2.826 20 0 DFADMM CC[C@]1(C)CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000820949483 599089197 /nfs/dbraw/zinc/08/91/97/599089197.db2.gz BATSSZRXDDESJA-QGZVFWFLSA-N -1 1 323.404 2.826 20 0 DFADMM Cn1c2ccc(Cl)cc2nc1-c1ccc(-c2nnn[n-]2)o1 ZINC000822589873 599156947 /nfs/dbraw/zinc/15/69/47/599156947.db2.gz BHRZWRURONDRAM-UHFFFAOYSA-N -1 1 300.709 2.667 20 0 DFADMM Cn1c2ccc(Cl)cc2nc1-c1ccc(-c2nn[n-]n2)o1 ZINC000822589873 599156951 /nfs/dbraw/zinc/15/69/51/599156951.db2.gz BHRZWRURONDRAM-UHFFFAOYSA-N -1 1 300.709 2.667 20 0 DFADMM CSC(C)(C)CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821950919 599357683 /nfs/dbraw/zinc/35/76/83/599357683.db2.gz SEFXEAKIIFJGAD-UHFFFAOYSA-N -1 1 314.418 2.968 20 0 DFADMM CSC(C)(C)CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821950919 599357686 /nfs/dbraw/zinc/35/76/86/599357686.db2.gz SEFXEAKIIFJGAD-UHFFFAOYSA-N -1 1 314.418 2.968 20 0 DFADMM COc1ccc(Cl)cc1-c1n[nH]c(S[C@@H](C)C(=O)[O-])n1 ZINC000739907910 597050143 /nfs/dbraw/zinc/05/01/43/597050143.db2.gz TTWZSQXWUNVLHY-LURJTMIESA-N -1 1 313.766 2.699 20 0 DFADMM Cc1cccc(NC(=O)[C@H](C)N2CCC[C@@H](CC(=O)[O-])C2)c1C ZINC000818944287 597080536 /nfs/dbraw/zinc/08/05/36/597080536.db2.gz OKVAMUAYILPGAB-GJZGRUSLSA-N -1 1 318.417 2.817 20 0 DFADMM CN(C)c1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1Cl ZINC000821589262 607313097 /nfs/dbraw/zinc/31/30/97/607313097.db2.gz FZZAJPJONMZEMH-UHFFFAOYSA-N -1 1 318.768 2.791 20 0 DFADMM CN(C)c1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1Cl ZINC000821589262 607313098 /nfs/dbraw/zinc/31/30/98/607313098.db2.gz FZZAJPJONMZEMH-UHFFFAOYSA-N -1 1 318.768 2.791 20 0 DFADMM CCCCn1nc(C)c(CN2CCC(C(=O)[O-])CC2)c1Cl ZINC000820317307 598119335 /nfs/dbraw/zinc/11/93/35/598119335.db2.gz ZAFAXTGQBWSOLH-UHFFFAOYSA-N -1 1 313.829 2.942 20 0 DFADMM CCOc1c(Cl)cc(CN2CC[C@H](C(=O)[O-])C2)cc1OC ZINC000820383476 598129472 /nfs/dbraw/zinc/12/94/72/598129472.db2.gz ZIJRGRQQSAOACL-NSHDSACASA-N -1 1 313.781 2.654 20 0 DFADMM CCn1c2ccccc2nc1CN1CCC[C@H](CC(=O)[O-])C1 ZINC000820506786 598151975 /nfs/dbraw/zinc/15/19/75/598151975.db2.gz ORKSUEIVGSTTEK-CYBMUJFWSA-N -1 1 301.390 2.743 20 0 DFADMM CC[C@H](C)Oc1ccc(Nc2nccnc2-c2nnn[n-]2)cc1 ZINC000736325580 598346725 /nfs/dbraw/zinc/34/67/25/598346725.db2.gz FTAZJMIZMMLXDE-JTQLQIEISA-N -1 1 311.349 2.578 20 0 DFADMM CC[C@H](C)Oc1ccc(Nc2nccnc2-c2nn[n-]n2)cc1 ZINC000736325580 598346728 /nfs/dbraw/zinc/34/67/28/598346728.db2.gz FTAZJMIZMMLXDE-JTQLQIEISA-N -1 1 311.349 2.578 20 0 DFADMM Clc1cccc(CNc2nccnc2-c2nnn[n-]2)c1Cl ZINC000737576480 598350290 /nfs/dbraw/zinc/35/02/90/598350290.db2.gz XSRZUDKBRJOLRJ-UHFFFAOYSA-N -1 1 322.159 2.576 20 0 DFADMM Clc1cccc(CNc2nccnc2-c2nn[n-]n2)c1Cl ZINC000737576480 598350291 /nfs/dbraw/zinc/35/02/91/598350291.db2.gz XSRZUDKBRJOLRJ-UHFFFAOYSA-N -1 1 322.159 2.576 20 0 DFADMM Clc1cc(Cl)cc(Oc2cnc(-c3nnn[n-]3)cn2)c1 ZINC000737565044 598385055 /nfs/dbraw/zinc/38/50/55/598385055.db2.gz NCXJANNJTZZMOW-UHFFFAOYSA-N -1 1 309.116 2.756 20 0 DFADMM Clc1cc(Cl)cc(Oc2cnc(-c3nn[n-]n3)cn2)c1 ZINC000737565044 598385056 /nfs/dbraw/zinc/38/50/56/598385056.db2.gz NCXJANNJTZZMOW-UHFFFAOYSA-N -1 1 309.116 2.756 20 0 DFADMM Clc1ccc(N2CC[C@@H](c3ccco3)C2)nc1-c1nnn[n-]1 ZINC000737574658 598675768 /nfs/dbraw/zinc/67/57/68/598675768.db2.gz JAJFTCNSBVKNMQ-SECBINFHSA-N -1 1 316.752 2.502 20 0 DFADMM Clc1ccc(N2CC[C@@H](c3ccco3)C2)nc1-c1nn[n-]n1 ZINC000737574658 598675770 /nfs/dbraw/zinc/67/57/70/598675770.db2.gz JAJFTCNSBVKNMQ-SECBINFHSA-N -1 1 316.752 2.502 20 0 DFADMM Fc1ccc(C2(CNc3cccc(-c4nnn[n-]4)n3)CC2)cc1 ZINC000737649050 599412503 /nfs/dbraw/zinc/41/25/03/599412503.db2.gz KFCTVESDZJGHFJ-UHFFFAOYSA-N -1 1 310.336 2.545 20 0 DFADMM Fc1ccc(C2(CNc3cccc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000737649050 599412506 /nfs/dbraw/zinc/41/25/06/599412506.db2.gz KFCTVESDZJGHFJ-UHFFFAOYSA-N -1 1 310.336 2.545 20 0 DFADMM COc1ccc(C(C)(C)CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000737074553 599419510 /nfs/dbraw/zinc/41/95/10/599419510.db2.gz XJNKLIIFUJUXRJ-UHFFFAOYSA-N -1 1 324.388 2.660 20 0 DFADMM COc1ccc(C(C)(C)CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000737074553 599419514 /nfs/dbraw/zinc/41/95/14/599419514.db2.gz XJNKLIIFUJUXRJ-UHFFFAOYSA-N -1 1 324.388 2.660 20 0 DFADMM CCOc1cccc([C@H](C)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC000736654666 599419733 /nfs/dbraw/zinc/41/97/33/599419733.db2.gz LTPPPQDXBFKRSK-NSHDSACASA-N -1 1 310.361 2.834 20 0 DFADMM CCOc1cccc([C@H](C)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC000736654666 599419735 /nfs/dbraw/zinc/41/97/35/599419735.db2.gz LTPPPQDXBFKRSK-NSHDSACASA-N -1 1 310.361 2.834 20 0 DFADMM CC(C)(C)[C@@H]1OCCC[C@H]1CNc1cccc(-c2nnn[n-]2)n1 ZINC000735595056 599440616 /nfs/dbraw/zinc/44/06/16/599440616.db2.gz DJULKDCCLLTKDG-SMDDNHRTSA-N -1 1 316.409 2.515 20 0 DFADMM CC(C)(C)[C@@H]1OCCC[C@H]1CNc1cccc(-c2nn[n-]n2)n1 ZINC000735595056 599440619 /nfs/dbraw/zinc/44/06/19/599440619.db2.gz DJULKDCCLLTKDG-SMDDNHRTSA-N -1 1 316.409 2.515 20 0 DFADMM Cc1ccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)cn1 ZINC000822238394 599480836 /nfs/dbraw/zinc/48/08/36/599480836.db2.gz GILRHNMJEGKPDR-UHFFFAOYSA-N -1 1 317.356 2.730 20 0 DFADMM Cc1ccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)cn1 ZINC000822238394 599480839 /nfs/dbraw/zinc/48/08/39/599480839.db2.gz GILRHNMJEGKPDR-UHFFFAOYSA-N -1 1 317.356 2.730 20 0 DFADMM Cc1occc1CN(C)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000822553838 599490691 /nfs/dbraw/zinc/49/06/91/599490691.db2.gz RSMYCORQGHVJMR-UHFFFAOYSA-N -1 1 320.356 2.953 20 0 DFADMM Cc1occc1CN(C)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000822553838 599490692 /nfs/dbraw/zinc/49/06/92/599490692.db2.gz RSMYCORQGHVJMR-UHFFFAOYSA-N -1 1 320.356 2.953 20 0 DFADMM CCC(CC)(CCO)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820887712 599688298 /nfs/dbraw/zinc/68/82/98/599688298.db2.gz NBMIMVANDBNKJM-UHFFFAOYSA-N -1 1 324.816 2.516 20 0 DFADMM CCC(CC)(CCO)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820887712 599688299 /nfs/dbraw/zinc/68/82/99/599688299.db2.gz NBMIMVANDBNKJM-UHFFFAOYSA-N -1 1 324.816 2.516 20 0 DFADMM CN(Cc1occc1C(=O)[O-])C[C@@H]1OCCc2ccccc21 ZINC000737499358 599719282 /nfs/dbraw/zinc/71/92/82/599719282.db2.gz DNMBLHZGFLKWBW-HNNXBMFYSA-N -1 1 301.342 2.724 20 0 DFADMM CN(CC[S@](=O)c1ccccc1)Cc1ccc(C(=O)[O-])cc1 ZINC000737449174 599779905 /nfs/dbraw/zinc/77/99/05/599779905.db2.gz NHZQGUWGFLKKBH-QFIPXVFZSA-N -1 1 317.410 2.624 20 0 DFADMM C[C@@H](CN(C)Cc1coc(-c2ccc(F)c(F)c2)n1)C(=O)[O-] ZINC000736576942 600002309 /nfs/dbraw/zinc/00/23/09/600002309.db2.gz RRPSGCKIZSYGFP-VIFPVBQESA-N -1 1 310.300 2.772 20 0 DFADMM CC(C)N(Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)CC1CC1 ZINC000736474856 600083549 /nfs/dbraw/zinc/08/35/49/600083549.db2.gz OUQLXAPZIZLWKT-UHFFFAOYSA-N -1 1 315.373 2.654 20 0 DFADMM Cc1cccc(-c2nnc([C@H](C)N3CCC[C@H](C(=O)[O-])C3)o2)c1 ZINC000738305702 600137599 /nfs/dbraw/zinc/13/75/99/600137599.db2.gz DVIOQWDTNULCIH-JSGCOSHPSA-N -1 1 315.373 2.903 20 0 DFADMM CCC[C@@](C)(NCC(=O)N(C1CC1)C1CCC(C)CC1)C(=O)[O-] ZINC000736960215 600154907 /nfs/dbraw/zinc/15/49/07/600154907.db2.gz NGZZWALKKQPQNJ-WTNGLUPJSA-N -1 1 324.465 2.789 20 0 DFADMM O=C(CNC1(C(=O)[O-])CCCCC1)NCCCC1CCCCC1 ZINC000739308017 600320671 /nfs/dbraw/zinc/32/06/71/600320671.db2.gz FPDBPHZNTQGDQW-UHFFFAOYSA-N -1 1 324.465 2.840 20 0 DFADMM O=C([O-])[C@@H]1CN(C(=O)c2c(O)cccc2Cl)c2ccccc21 ZINC000739613980 600366064 /nfs/dbraw/zinc/36/60/64/600366064.db2.gz NLKPPPBYKFEHAQ-SNVBAGLBSA-N -1 1 317.728 2.874 20 0 DFADMM O=C([O-])C1(NCC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CCCCC1 ZINC000739308707 600460241 /nfs/dbraw/zinc/46/02/41/600460241.db2.gz VMJZEMWYIJKJHE-GJZGRUSLSA-N -1 1 322.449 2.545 20 0 DFADMM C/C(=C\CSc1nc(C=Cc2ccc(C)o2)n[nH]1)C(=O)[O-] ZINC000825792401 600727209 /nfs/dbraw/zinc/72/72/09/600727209.db2.gz DPJHVSHXYYOTKE-SBIWHPGTSA-N -1 1 305.359 3.000 20 0 DFADMM COC(=O)c1ccc(CN[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000831384837 600731534 /nfs/dbraw/zinc/73/15/34/600731534.db2.gz CZURZQGUAAOVRU-OAHLLOKOSA-N -1 1 317.316 2.528 20 0 DFADMM COCc1ccccc1CN[C@H](C(=O)[O-])c1ccccc1F ZINC000831821994 600736703 /nfs/dbraw/zinc/73/67/03/600736703.db2.gz KDJRBLICAUGQCX-INIZCTEOSA-N -1 1 303.333 2.888 20 0 DFADMM CC(=O)Nc1ccccc1CN[C@@H](C(=O)[O-])c1ccccc1F ZINC000825917498 600754775 /nfs/dbraw/zinc/75/47/75/600754775.db2.gz MXRNFUHYXWKKCW-MRXNPFEDSA-N -1 1 316.332 2.700 20 0 DFADMM CC[C@H]1CCCN([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000829125286 600792741 /nfs/dbraw/zinc/79/27/41/600792741.db2.gz KATSGWMKOMJRSQ-WCQYABFASA-N -1 1 322.430 2.674 20 0 DFADMM O=C([O-])c1ccsc1N1CC[C@H](N2CCCCCCC2)C1=O ZINC000833335848 600818517 /nfs/dbraw/zinc/81/85/17/600818517.db2.gz FEZBONQXYPFIPJ-ZDUSSCGKSA-N -1 1 322.430 2.818 20 0 DFADMM CCN1CCCC[C@H]1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000737113172 600933414 /nfs/dbraw/zinc/93/34/14/600933414.db2.gz BIRXXYGWMKYNQU-HNNXBMFYSA-N -1 1 318.417 2.862 20 0 DFADMM CCc1cccc(CC)c1NC(=O)CN[C@](C)(C(=O)[O-])C1CC1 ZINC000830265739 601034207 /nfs/dbraw/zinc/03/42/07/601034207.db2.gz NAXIDEKDRTZCGN-SFHVURJKSA-N -1 1 318.417 2.593 20 0 DFADMM COc1ccccc1CN(C/C=C(/C)C(=O)[O-])C[C@@H]1CCCO1 ZINC000832614012 601168243 /nfs/dbraw/zinc/16/82/43/601168243.db2.gz VPOXIXVBHOSREG-MBSJSRAVSA-N -1 1 319.401 2.707 20 0 DFADMM C/C(=C\CN1CCC[C@H](C(=O)c2ccc(F)cc2)C1)C(=O)[O-] ZINC000825734664 601170375 /nfs/dbraw/zinc/17/03/75/601170375.db2.gz KFKNIPITKJZGTL-BCNIOPEESA-N -1 1 305.349 2.751 20 0 DFADMM CSc1ccncc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000821988535 607494648 /nfs/dbraw/zinc/49/46/48/607494648.db2.gz DYIDZUVRNHZPKY-UHFFFAOYSA-N -1 1 304.404 2.657 20 0 DFADMM O=C([O-])c1ccc(NC(=O)N2CCC(c3cnc[nH]3)CC2)cc1 ZINC000833320457 601334104 /nfs/dbraw/zinc/33/41/04/601334104.db2.gz XHQIKDOMVXPCRG-UHFFFAOYSA-N -1 1 314.345 2.519 20 0 DFADMM O=C([O-])CCN1CCC[C@@H]1c1nc(-c2ccc(F)cc2)c[nH]1 ZINC000262889376 601382598 /nfs/dbraw/zinc/38/25/98/601382598.db2.gz WSWBKXXVRVKCCR-CQSZACIVSA-N -1 1 303.337 2.827 20 0 DFADMM C[C@H]1CN(Cc2cc(Br)ccc2F)C[C@H]1C(=O)[O-] ZINC000251635089 601503808 /nfs/dbraw/zinc/50/38/08/601503808.db2.gz FQCJIZZPKAGGGO-GZMMTYOYSA-N -1 1 316.170 2.741 20 0 DFADMM Cc1sc(NC(=O)CN2CC[C@H](C)[C@@H]2C)c(C(=O)[O-])c1C ZINC000833034204 601567018 /nfs/dbraw/zinc/56/70/18/601567018.db2.gz QYEYIZLCUCWPHE-WPRPVWTQSA-N -1 1 310.419 2.732 20 0 DFADMM CCN(C(=O)CNCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000829597574 601581806 /nfs/dbraw/zinc/58/18/06/601581806.db2.gz QLAKNFJIKILEIW-UHFFFAOYSA-N -1 1 312.369 2.528 20 0 DFADMM Cc1sc(NC(=O)CN[C@@H](C(=O)[O-])C(C)(C)C)c(C)c1C ZINC000833036734 601602201 /nfs/dbraw/zinc/60/22/01/601602201.db2.gz OSIORQQJTYMGPG-LBPRGKRZSA-N -1 1 312.435 2.701 20 0 DFADMM Cc1cccc(NS(=O)(=O)c2cccc(C)c2C(=O)[O-])c1O ZINC000832973312 601605508 /nfs/dbraw/zinc/60/55/08/601605508.db2.gz VHFMYULOCZJQNF-UHFFFAOYSA-N -1 1 321.354 2.508 20 0 DFADMM C[C@@H]1CCN(Cc2ccnc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000824962215 607516619 /nfs/dbraw/zinc/51/66/19/607516619.db2.gz QLKXEJKMJYXZHD-GFCCVEGCSA-N -1 1 306.373 2.776 20 0 DFADMM C[C@@H]1CCN(Cc2ccnc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000824962215 607516621 /nfs/dbraw/zinc/51/66/21/607516621.db2.gz QLKXEJKMJYXZHD-GFCCVEGCSA-N -1 1 306.373 2.776 20 0 DFADMM C[C@@H](C(=O)[O-])[C@@H](NCc1cn2ccccc2n1)c1ccccc1 ZINC000826055083 601653593 /nfs/dbraw/zinc/65/35/93/601653593.db2.gz VMOPBBLPEWWBBX-CXAGYDPISA-N -1 1 309.369 2.886 20 0 DFADMM COC(=O)c1ccc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])o1 ZINC000831385354 601654717 /nfs/dbraw/zinc/65/47/17/601654717.db2.gz SAYKJWPDGVUJDR-ABAIWWIYSA-N -1 1 317.341 2.618 20 0 DFADMM C[C@@H]1CSc2ccccc2N1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000825013014 607523354 /nfs/dbraw/zinc/52/33/54/607523354.db2.gz NHLWYKAUUNRUOX-LLVKDONJSA-N -1 1 324.413 2.763 20 0 DFADMM C[C@@H]1CSc2ccccc2N1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000825013014 607523356 /nfs/dbraw/zinc/52/33/56/607523356.db2.gz NHLWYKAUUNRUOX-LLVKDONJSA-N -1 1 324.413 2.763 20 0 DFADMM CC(C)(C)c1ccccc1NC(=O)CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000263139691 601930834 /nfs/dbraw/zinc/93/08/34/601930834.db2.gz MLFCOFKODBQFKE-GOSISDBHSA-N -1 1 318.417 2.719 20 0 DFADMM O=C([O-])c1ccc(CN2CCC[C@@H](OCC(F)(F)F)C2)s1 ZINC000833313254 601958515 /nfs/dbraw/zinc/95/85/15/601958515.db2.gz QOMXOWAOPNKMSX-SECBINFHSA-N -1 1 323.336 2.990 20 0 DFADMM Cc1nc(C)c(CSCc2ccnc(-c3nnn[n-]3)c2)s1 ZINC000826324219 607536162 /nfs/dbraw/zinc/53/61/62/607536162.db2.gz IZNZWIFHQVARSX-UHFFFAOYSA-N -1 1 318.431 2.768 20 0 DFADMM Cc1nc(C)c(CSCc2ccnc(-c3nn[n-]n3)c2)s1 ZINC000826324219 607536164 /nfs/dbraw/zinc/53/61/64/607536164.db2.gz IZNZWIFHQVARSX-UHFFFAOYSA-N -1 1 318.431 2.768 20 0 DFADMM Fc1ccc(CSCc2ccnc(-c3nnn[n-]3)c2)c(F)c1 ZINC000826374759 607536306 /nfs/dbraw/zinc/53/63/06/607536306.db2.gz LKZFEEOMTKPEGV-UHFFFAOYSA-N -1 1 319.340 2.973 20 0 DFADMM Fc1ccc(CSCc2ccnc(-c3nn[n-]n3)c2)c(F)c1 ZINC000826374759 607536307 /nfs/dbraw/zinc/53/63/07/607536307.db2.gz LKZFEEOMTKPEGV-UHFFFAOYSA-N -1 1 319.340 2.973 20 0 DFADMM Cc1sc(NC(=O)CN2[C@H](C)CC[C@@H]2C)c(C(=O)[O-])c1C ZINC000833033792 601973077 /nfs/dbraw/zinc/97/30/77/601973077.db2.gz HGIKOKGBYBVODX-DTORHVGOSA-N -1 1 310.419 2.874 20 0 DFADMM Cn1cc(CN[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)cn1 ZINC000833045671 601975148 /nfs/dbraw/zinc/97/51/48/601975148.db2.gz FXJLGURKQNXFNQ-GFCCVEGCSA-N -1 1 314.172 2.642 20 0 DFADMM O=C([O-])c1cc(NC(=O)[C@H]2CCCc3[nH]ncc32)ccc1Cl ZINC000833300630 602019183 /nfs/dbraw/zinc/01/91/83/602019183.db2.gz NLJJWYXBJDZFJV-VIFPVBQESA-N -1 1 319.748 2.820 20 0 DFADMM O=C([O-])c1ccc(CN2CC[C@@H](Oc3ccccn3)C2)cc1F ZINC000833312897 602022492 /nfs/dbraw/zinc/02/24/92/602022492.db2.gz JITKPDHIGDTERV-CYBMUJFWSA-N -1 1 316.332 2.572 20 0 DFADMM CCC[C@](C)(NC(=O)[O-])C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000739301108 602113523 /nfs/dbraw/zinc/11/35/23/602113523.db2.gz JPPJXOPGXIJZEB-HNNXBMFYSA-N -1 1 304.350 2.636 20 0 DFADMM CC[C@](C)(CC(=O)[O-])NCc1nc(Cc2ccccc2C)no1 ZINC000828671898 602218401 /nfs/dbraw/zinc/21/84/01/602218401.db2.gz IDZXUCZUNULNBA-QGZVFWFLSA-N -1 1 317.389 2.702 20 0 DFADMM CC[C@@](C)(CC(=O)[O-])NCc1nc(CCc2ccccc2)no1 ZINC000828672791 602222226 /nfs/dbraw/zinc/22/22/26/602222226.db2.gz VWZIRORSNMOGMH-KRWDZBQOSA-N -1 1 317.389 2.588 20 0 DFADMM CCc1ccc([C@@H](C)NC(=O)CN[C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC000830239529 602228186 /nfs/dbraw/zinc/22/81/86/602228186.db2.gz YTAZGJVCWSIISL-MLGOLLRUSA-N -1 1 320.433 2.515 20 0 DFADMM Cc1nc2ccccn2c1CN(C)Cc1ccc(C(=O)[O-])cc1 ZINC000833006609 602325400 /nfs/dbraw/zinc/32/54/00/602325400.db2.gz GPCMKRAYVJXBHF-UHFFFAOYSA-N -1 1 309.369 2.973 20 0 DFADMM Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000833015411 602344500 /nfs/dbraw/zinc/34/45/00/602344500.db2.gz KSCAAOGJLRZDAB-MRXNPFEDSA-N -1 1 317.364 2.903 20 0 DFADMM Cc1nn(C)cc1[C@H]1CCCN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000833015411 602344503 /nfs/dbraw/zinc/34/45/03/602344503.db2.gz KSCAAOGJLRZDAB-MRXNPFEDSA-N -1 1 317.364 2.903 20 0 DFADMM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@H]1c1cn(C)nc1C ZINC000830369659 602344841 /nfs/dbraw/zinc/34/48/41/602344841.db2.gz RRGSRIZPDLUSEQ-CQSZACIVSA-N -1 1 317.389 2.919 20 0 DFADMM O=C([O-])c1ccc(NC(=O)c2cc(-c3ccco3)n[nH]2)cc1F ZINC000833153691 602357592 /nfs/dbraw/zinc/35/75/92/602357592.db2.gz OXYRBXPZBYJFBX-UHFFFAOYSA-N -1 1 315.260 2.759 20 0 DFADMM CCN(Cc1cccc(NC(=O)[C@H](C(C)C)N(C)C)c1)C(=O)[O-] ZINC000739440515 602493023 /nfs/dbraw/zinc/49/30/23/602493023.db2.gz BOUBAWMIWZLKRJ-HNNXBMFYSA-N -1 1 321.421 2.711 20 0 DFADMM O=C([O-])NCc1cccc(NC(=O)Cc2[nH]nc3ccccc32)c1 ZINC000740676876 602515002 /nfs/dbraw/zinc/51/50/02/602515002.db2.gz VXMGRCVWNCYMEN-UHFFFAOYSA-N -1 1 324.340 2.512 20 0 DFADMM 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2.695 20 0 DFADMM O=C([O-])NC[C@@H](C(=O)Nc1ccc2nc[nH]c2c1)c1ccccc1 ZINC000832415608 603425437 /nfs/dbraw/zinc/42/54/37/603425437.db2.gz OSQIMOFPZGWAMA-CYBMUJFWSA-N -1 1 324.340 2.553 20 0 DFADMM CCc1cccc(S(=O)(=O)Nc2ccc(NC(=O)[O-])nc2)c1 ZINC000827600655 603589366 /nfs/dbraw/zinc/58/93/66/603589366.db2.gz QWSUHTXJSCELHO-UHFFFAOYSA-N -1 1 321.358 2.535 20 0 DFADMM COc1cc(NC(=O)CN2[C@@H](C)CC[C@@H]2C)ccc1NC(=O)[O-] ZINC000829153519 603665494 /nfs/dbraw/zinc/66/54/94/603665494.db2.gz GZNABVJVCCGUMI-QWRGUYRKSA-N -1 1 321.377 2.596 20 0 DFADMM Cc1ccc2nc(CNC(=O)c3ccc(NC(=O)[O-])cc3)[nH]c2c1 ZINC000830433469 603764671 /nfs/dbraw/zinc/76/46/71/603764671.db2.gz URZHEYYFZLTIFZ-UHFFFAOYSA-N -1 1 324.340 2.891 20 0 DFADMM Cc1ccc(-c2cnc(CN3CC[C@@H](CNC(=O)[O-])C3)o2)cc1 ZINC000830148624 604041250 /nfs/dbraw/zinc/04/12/50/604041250.db2.gz DDJGOQFBKYLLAC-ZDUSSCGKSA-N -1 1 315.373 2.740 20 0 DFADMM Cc1ccccc1[C@@H]1CN(C[C@@H]2CCN(C(=O)[O-])C2)[C@@H](C)CO1 ZINC000830559643 604060168 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C/C(=C\CN(CCO)Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000833382762 604498999 /nfs/dbraw/zinc/49/89/99/604498999.db2.gz LMYPLMMKADTMEU-ONNFQVAWSA-N -1 1 318.200 2.819 20 0 DFADMM CC(C)c1cc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)no1 ZINC000833509464 604501382 /nfs/dbraw/zinc/50/13/82/604501382.db2.gz OQOPTSWLUOGIAE-UHFFFAOYSA-N -1 1 314.301 2.625 20 0 DFADMM CC(C)[C@H](C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1)N(C)C ZINC000825416919 604511336 /nfs/dbraw/zinc/51/13/36/604511336.db2.gz NDMKENAERYJRJB-BXUZGUMPSA-N -1 1 307.394 2.540 20 0 DFADMM O=C([O-])N1CCC(CNCc2c(F)c(F)cc(F)c2F)CC1 ZINC000831883482 604521210 /nfs/dbraw/zinc/52/12/10/604521210.db2.gz SPTDNUWMRFSBDF-UHFFFAOYSA-N -1 1 320.286 2.723 20 0 DFADMM Cc1c(CN2CCC[C@H]2C(=O)[O-])sc2nc(C)nc(C)c12 ZINC000821165150 604632314 /nfs/dbraw/zinc/63/23/14/604632314.db2.gz LSGZTLZUENBWEI-NSHDSACASA-N -1 1 305.403 2.666 20 0 DFADMM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c(C)c1O ZINC000826291031 607707875 /nfs/dbraw/zinc/70/78/75/607707875.db2.gz 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C[C@@H]1CC[C@@]2(CCN(CC(=O)Nc3ccsc3C(=O)[O-])C2)C1 ZINC000833609353 605140737 /nfs/dbraw/zinc/14/07/37/605140737.db2.gz GAULARPCMXLSFV-BDJLRTHQSA-N -1 1 322.430 2.897 20 0 DFADMM CCN1C[C@H](C)N(C(=O)Nc2ccc(C)cc2C(=O)[O-])C[C@@H]1C ZINC000833657156 605164697 /nfs/dbraw/zinc/16/46/97/605164697.db2.gz LKYDGZFUIWDYNY-STQMWFEESA-N -1 1 319.405 2.640 20 0 DFADMM Cc1cscc1NS(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC000833750979 605188819 /nfs/dbraw/zinc/18/88/19/605188819.db2.gz KNMNZGXBNFPMSB-UHFFFAOYSA-N -1 1 311.384 2.864 20 0 DFADMM O=C([O-])[C@H]1CC12CCN(Cc1nc3c(s1)CCCC3)CC2 ZINC000833771481 605198237 /nfs/dbraw/zinc/19/82/37/605198237.db2.gz GUYPWRJFZRNHGG-LLVKDONJSA-N -1 1 306.431 2.709 20 0 DFADMM COC(C)(C)CN(C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833719174 605213795 /nfs/dbraw/zinc/21/37/95/605213795.db2.gz YWPWAWNTSKOLRT-UHFFFAOYSA-N -1 1 318.373 2.897 20 0 DFADMM Cc1csc([C@@H]2CCCN2C[C@@H]2CC(C(=O)[O-])=C(C)O2)n1 ZINC000833586238 605330184 /nfs/dbraw/zinc/33/01/84/605330184.db2.gz 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605948470 /nfs/dbraw/zinc/94/84/70/605948470.db2.gz WNFMNWVGWFYUQB-NSHDSACASA-N -1 1 303.337 2.858 20 0 DFADMM CC[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C1CCOCC1 ZINC000820925777 606042687 /nfs/dbraw/zinc/04/26/87/606042687.db2.gz LXAOBIAVKBBLIB-LLVKDONJSA-N -1 1 322.800 2.532 20 0 DFADMM CC[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C1CCOCC1 ZINC000820925777 606042695 /nfs/dbraw/zinc/04/26/95/606042695.db2.gz LXAOBIAVKBBLIB-LLVKDONJSA-N -1 1 322.800 2.532 20 0 DFADMM C[C@@H]1[C@H](C)N(C(=O)[O-])CCN1Cc1cc2ccccc2[nH]c1=O ZINC000833827672 606042723 /nfs/dbraw/zinc/04/27/23/606042723.db2.gz LXFCUGLZWWJRRH-NEPJUHHUSA-N -1 1 315.373 2.513 20 0 DFADMM Clc1nsc(N2C[C@@H]3CCCC[C@H]3C2)c1-c1nnn[n-]1 ZINC000822591111 606105788 /nfs/dbraw/zinc/10/57/88/606105788.db2.gz RBRCIHKPLQBLCW-YUMQZZPRSA-N -1 1 310.814 2.603 20 0 DFADMM Clc1nsc(N2C[C@@H]3CCCC[C@H]3C2)c1-c1nn[n-]n1 ZINC000822591111 606105789 /nfs/dbraw/zinc/10/57/89/606105789.db2.gz RBRCIHKPLQBLCW-YUMQZZPRSA-N -1 1 310.814 2.603 20 0 DFADMM CCc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821486221 606140194 /nfs/dbraw/zinc/14/01/94/606140194.db2.gz AHJMWWDXRZTGPQ-UHFFFAOYSA-N -1 1 314.370 2.848 20 0 DFADMM CCc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821486221 606140195 /nfs/dbraw/zinc/14/01/95/606140195.db2.gz AHJMWWDXRZTGPQ-UHFFFAOYSA-N -1 1 314.370 2.848 20 0 DFADMM C[C@@H]1CC[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)s2)[C@H](C)C1 ZINC000820689699 606178172 /nfs/dbraw/zinc/17/81/72/606178172.db2.gz BKGBDCFHQWGFDF-OPRDCNLKSA-N -1 1 306.391 2.910 20 0 DFADMM C[C@@H]1CC[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)s2)[C@H](C)C1 ZINC000820689699 606178173 /nfs/dbraw/zinc/17/81/73/606178173.db2.gz BKGBDCFHQWGFDF-OPRDCNLKSA-N -1 1 306.391 2.910 20 0 DFADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(Cl)s1 ZINC000823294738 606196096 /nfs/dbraw/zinc/19/60/96/606196096.db2.gz PMMCBXOFAWKNLD-UHFFFAOYSA-N -1 1 321.749 2.540 20 0 DFADMM CCCCO[C@H]1C[C@@H](Nc2cccc(-c3nnn[n-]3)n2)C1(C)C ZINC000821071512 606402981 /nfs/dbraw/zinc/40/29/81/606402981.db2.gz GZVYPZRJMRKKHQ-OLZOCXBDSA-N -1 1 316.409 2.657 20 0 DFADMM CCCCO[C@H]1C[C@@H](Nc2cccc(-c3nn[n-]n3)n2)C1(C)C ZINC000821071512 606402982 /nfs/dbraw/zinc/40/29/82/606402982.db2.gz GZVYPZRJMRKKHQ-OLZOCXBDSA-N -1 1 316.409 2.657 20 0 DFADMM CC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(OC)cc1 ZINC000820925781 606441566 /nfs/dbraw/zinc/44/15/66/606441566.db2.gz MCVZAAWDBWKXFY-CYBMUJFWSA-N -1 1 310.361 2.834 20 0 DFADMM CC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(OC)cc1 ZINC000820925781 606441567 /nfs/dbraw/zinc/44/15/67/606441567.db2.gz MCVZAAWDBWKXFY-CYBMUJFWSA-N -1 1 310.361 2.834 20 0 DFADMM Fc1ccc([C@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)cc1 ZINC000822767092 606447111 /nfs/dbraw/zinc/44/71/11/606447111.db2.gz WKIIFFJBGFKQNP-CQSZACIVSA-N -1 1 310.336 2.742 20 0 DFADMM Fc1ccc([C@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)cc1 ZINC000822767092 606447112 /nfs/dbraw/zinc/44/71/12/606447112.db2.gz WKIIFFJBGFKQNP-CQSZACIVSA-N -1 1 310.336 2.742 20 0 DFADMM Fc1ccc2c(c1)N(c1ccc(Cl)c(-c3nnn[n-]3)n1)CC2 ZINC000822786086 606463389 /nfs/dbraw/zinc/46/33/89/606463389.db2.gz CRBOMUVTRMCLSW-UHFFFAOYSA-N -1 1 316.727 2.748 20 0 DFADMM Fc1ccc2c(c1)N(c1ccc(Cl)c(-c3nn[n-]n3)n1)CC2 ZINC000822786086 606463391 /nfs/dbraw/zinc/46/33/91/606463391.db2.gz CRBOMUVTRMCLSW-UHFFFAOYSA-N -1 1 316.727 2.748 20 0 DFADMM CC1(O)CCC(Nc2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000820623072 606476984 /nfs/dbraw/zinc/47/69/84/606476984.db2.gz DKJBZGRPOSOZBP-UHFFFAOYSA-N -1 1 324.388 2.520 20 0 DFADMM CC1(O)CCC(Nc2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000820623072 606476986 /nfs/dbraw/zinc/47/69/86/606476986.db2.gz DKJBZGRPOSOZBP-UHFFFAOYSA-N -1 1 324.388 2.520 20 0 DFADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCCc2ccccc21 ZINC000823483206 606486671 /nfs/dbraw/zinc/48/66/71/606486671.db2.gz FNYPISCDALCSJI-UHFFFAOYSA-N -1 1 311.370 2.521 20 0 DFADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCc2ccccc21 ZINC000823483206 606486672 /nfs/dbraw/zinc/48/66/72/606486672.db2.gz FNYPISCDALCSJI-UHFFFAOYSA-N -1 1 311.370 2.521 20 0 DFADMM O=C(Nc1ccc(F)c(Cl)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823336904 606487951 /nfs/dbraw/zinc/48/79/51/606487951.db2.gz CDTJCPAOYQLDJN-UHFFFAOYSA-N -1 1 323.740 2.973 20 0 DFADMM O=C(Nc1ccc(F)c(Cl)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823336904 606487952 /nfs/dbraw/zinc/48/79/52/606487952.db2.gz CDTJCPAOYQLDJN-UHFFFAOYSA-N -1 1 323.740 2.973 20 0 DFADMM O=C(Nc1ccc2c(c1)CCC2)c1ccc(-c2nnn[n-]2)s1 ZINC000823357696 606490951 /nfs/dbraw/zinc/49/09/51/606490951.db2.gz YVKJLOJKHPYKJY-UHFFFAOYSA-N -1 1 311.370 2.669 20 0 DFADMM O=C(Nc1ccc2c(c1)CCC2)c1ccc(-c2nn[n-]n2)s1 ZINC000823357696 606490952 /nfs/dbraw/zinc/49/09/52/606490952.db2.gz YVKJLOJKHPYKJY-UHFFFAOYSA-N -1 1 311.370 2.669 20 0 DFADMM Cc1ccccc1[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822345176 606493930 /nfs/dbraw/zinc/49/39/30/606493930.db2.gz HATZKFZYEBYZED-SNVBAGLBSA-N -1 1 313.386 2.728 20 0 DFADMM Cc1ccccc1[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822345176 606493931 /nfs/dbraw/zinc/49/39/31/606493931.db2.gz HATZKFZYEBYZED-SNVBAGLBSA-N -1 1 313.386 2.728 20 0 DFADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)s1)[C@H]1CCCC[C@H]1C ZINC000821160627 606547481 /nfs/dbraw/zinc/54/74/81/606547481.db2.gz NQTYLVLWWUQCDU-MNOVXSKESA-N -1 1 319.434 2.969 20 0 DFADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)s1)[C@H]1CCCC[C@H]1C ZINC000821160627 606547483 /nfs/dbraw/zinc/54/74/83/606547483.db2.gz NQTYLVLWWUQCDU-MNOVXSKESA-N -1 1 319.434 2.969 20 0 DFADMM CC(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820038344 606549944 /nfs/dbraw/zinc/54/99/44/606549944.db2.gz MSHFFFWLSSRJKK-MNOVXSKESA-N -1 1 319.434 2.873 20 0 DFADMM CC(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820038344 606549946 /nfs/dbraw/zinc/54/99/46/606549946.db2.gz MSHFFFWLSSRJKK-MNOVXSKESA-N -1 1 319.434 2.873 20 0 DFADMM CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820037512 606549964 /nfs/dbraw/zinc/54/99/64/606549964.db2.gz CMGYMKNVQQIMMV-WDEREUQCSA-N -1 1 319.434 2.873 20 0 DFADMM CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820037512 606549966 /nfs/dbraw/zinc/54/99/66/606549966.db2.gz CMGYMKNVQQIMMV-WDEREUQCSA-N -1 1 319.434 2.873 20 0 DFADMM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820649224 606581874 /nfs/dbraw/zinc/58/18/74/606581874.db2.gz JYYQUAZOJPAPIG-VHSXEESVSA-N -1 1 319.434 2.873 20 0 DFADMM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820649224 606581875 /nfs/dbraw/zinc/58/18/75/606581875.db2.gz JYYQUAZOJPAPIG-VHSXEESVSA-N -1 1 319.434 2.873 20 0 DFADMM CC(C)C1(CNc2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000820034005 606608640 /nfs/dbraw/zinc/60/86/40/606608640.db2.gz ZYLHFIMJPCPPKR-UHFFFAOYSA-N -1 1 309.377 2.658 20 0 DFADMM CC(C)C1(CNc2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000820034005 606608642 /nfs/dbraw/zinc/60/86/42/606608642.db2.gz ZYLHFIMJPCPPKR-UHFFFAOYSA-N -1 1 309.377 2.658 20 0 DFADMM CCCCCC(C)(C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821043159 606649414 /nfs/dbraw/zinc/64/94/14/606649414.db2.gz MHKBTIYQJVDPIY-UHFFFAOYSA-N -1 1 317.393 2.911 20 0 DFADMM CCCCCC(C)(C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821043159 606649415 /nfs/dbraw/zinc/64/94/15/606649415.db2.gz MHKBTIYQJVDPIY-UHFFFAOYSA-N -1 1 317.393 2.911 20 0 DFADMM COc1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1Cl ZINC000821821215 607037951 /nfs/dbraw/zinc/03/79/51/607037951.db2.gz BTLSYBPOCXWPIM-UHFFFAOYSA-N -1 1 316.752 2.536 20 0 DFADMM COc1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1Cl ZINC000821821215 607037954 /nfs/dbraw/zinc/03/79/54/607037954.db2.gz BTLSYBPOCXWPIM-UHFFFAOYSA-N -1 1 316.752 2.536 20 0 DFADMM CC(C)(C(=O)OCc1ccnc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000824064253 607960540 /nfs/dbraw/zinc/96/05/40/607960540.db2.gz DZZILZHQJVDAOO-UHFFFAOYSA-N -1 1 315.377 2.521 20 0 DFADMM CC(C)(C(=O)OCc1ccnc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000824064253 607960541 /nfs/dbraw/zinc/96/05/41/607960541.db2.gz DZZILZHQJVDAOO-UHFFFAOYSA-N -1 1 315.377 2.521 20 0 DFADMM O=C(Nc1cncc2ccccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000826459647 608004606 /nfs/dbraw/zinc/00/46/06/608004606.db2.gz SGEFFBPMDXJVGS-UHFFFAOYSA-N -1 1 322.353 2.729 20 0 DFADMM O=C(Nc1cncc2ccccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000826459647 608004607 /nfs/dbraw/zinc/00/46/07/608004607.db2.gz SGEFFBPMDXJVGS-UHFFFAOYSA-N -1 1 322.353 2.729 20 0 DFADMM c1cn(Cc2ccccc2Oc2ccccc2)c(-c2nnn[n-]2)n1 ZINC000826522487 608013924 /nfs/dbraw/zinc/01/39/24/608013924.db2.gz CNAYVMRFKGVQLN-UHFFFAOYSA-N -1 1 318.340 2.904 20 0 DFADMM c1cn(Cc2ccccc2Oc2ccccc2)c(-c2nn[n-]n2)n1 ZINC000826522487 608013925 /nfs/dbraw/zinc/01/39/25/608013925.db2.gz CNAYVMRFKGVQLN-UHFFFAOYSA-N -1 1 318.340 2.904 20 0 DFADMM Cc1cncc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)c1 ZINC000826319747 608017454 /nfs/dbraw/zinc/01/74/54/608017454.db2.gz QSWLZEZUCUDFDU-UHFFFAOYSA-N -1 1 317.356 2.730 20 0 DFADMM Cc1cncc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)c1 ZINC000826319747 608017455 /nfs/dbraw/zinc/01/74/55/608017455.db2.gz QSWLZEZUCUDFDU-UHFFFAOYSA-N -1 1 317.356 2.730 20 0 DFADMM C[C@@H]1CCc2ccccc2[C@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000824969003 608099318 /nfs/dbraw/zinc/09/93/18/608099318.db2.gz RZQFSCPBZQQETG-BZNIZROVSA-N -1 1 306.373 2.997 20 0 DFADMM C[C@@H]1CCc2ccccc2[C@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000824969003 608099319 /nfs/dbraw/zinc/09/93/19/608099319.db2.gz RZQFSCPBZQQETG-BZNIZROVSA-N -1 1 306.373 2.997 20 0 DFADMM C[C@H]1CCC[C@@H](COC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000824927285 608172234 /nfs/dbraw/zinc/17/22/34/608172234.db2.gz NQKXSVHHZNONAZ-VHSXEESVSA-N -1 1 306.391 2.911 20 0 DFADMM C[C@H]1CCC[C@@H](COC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000824927285 608172236 /nfs/dbraw/zinc/17/22/36/608172236.db2.gz NQKXSVHHZNONAZ-VHSXEESVSA-N -1 1 306.391 2.911 20 0 DFADMM Clc1nsc(NC[C@H]2Cc3ccccc32)c1-c1nnn[n-]1 ZINC000826354275 608177581 /nfs/dbraw/zinc/17/75/81/608177581.db2.gz WKJYSRVSRILCCO-MRVPVSSYSA-N -1 1 318.793 2.728 20 0 DFADMM Clc1nsc(NC[C@H]2Cc3ccccc32)c1-c1nn[n-]n1 ZINC000826354275 608177582 /nfs/dbraw/zinc/17/75/82/608177582.db2.gz WKJYSRVSRILCCO-MRVPVSSYSA-N -1 1 318.793 2.728 20 0 DFADMM C[C@@H](c1ccccn1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC000824770447 608178629 /nfs/dbraw/zinc/17/86/29/608178629.db2.gz KPKBOVYLCZYZAG-ZETCQYMHSA-N -1 1 321.797 2.569 20 0 DFADMM C[C@@H](c1ccccn1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC000824770447 608178630 /nfs/dbraw/zinc/17/86/30/608178630.db2.gz KPKBOVYLCZYZAG-ZETCQYMHSA-N -1 1 321.797 2.569 20 0 DFADMM Cc1ccc2c(c1)N(c1snc(Cl)c1-c1nnn[n-]1)CC2 ZINC000826293905 608181457 /nfs/dbraw/zinc/18/14/57/608181457.db2.gz DQLPGPYOCPZVSW-UHFFFAOYSA-N -1 1 318.793 2.979 20 0 DFADMM Cc1ccc2c(c1)N(c1snc(Cl)c1-c1nn[n-]n1)CC2 ZINC000826293905 608181459 /nfs/dbraw/zinc/18/14/59/608181459.db2.gz DQLPGPYOCPZVSW-UHFFFAOYSA-N -1 1 318.793 2.979 20 0 DFADMM Clc1nsc(N2C3CCCC2CCC3)c1-c1nnn[n-]1 ZINC000826353793 608186281 /nfs/dbraw/zinc/18/62/81/608186281.db2.gz DLUUESDMKVEGPZ-UHFFFAOYSA-N -1 1 310.814 2.888 20 0 DFADMM Clc1nsc(N2C3CCCC2CCC3)c1-c1nn[n-]n1 ZINC000826353793 608186283 /nfs/dbraw/zinc/18/62/83/608186283.db2.gz DLUUESDMKVEGPZ-UHFFFAOYSA-N -1 1 310.814 2.888 20 0 DFADMM Clc1nsc(N[C@H]2CC3CCC2CC3)c1-c1nnn[n-]1 ZINC000826354228 608191324 /nfs/dbraw/zinc/19/13/24/608191324.db2.gz UFVKPFZSPGBNKH-RRQHEKLDSA-N -1 1 310.814 2.967 20 0 DFADMM Clc1nsc(N[C@H]2CC3CCC2CC3)c1-c1nn[n-]n1 ZINC000826354228 608191326 /nfs/dbraw/zinc/19/13/26/608191326.db2.gz UFVKPFZSPGBNKH-RRQHEKLDSA-N -1 1 310.814 2.967 20 0 DFADMM C[C@@H]1C[C@@H](CNc2cc(-c3nnn[n-]3)nc3ccccc32)CCO1 ZINC000824884033 608195623 /nfs/dbraw/zinc/19/56/23/608195623.db2.gz KRTBCXHJJOMWFP-NEPJUHHUSA-N -1 1 324.388 2.642 20 0 DFADMM C[C@@H]1C[C@@H](CNc2cc(-c3nn[n-]n3)nc3ccccc32)CCO1 ZINC000824884033 608195624 /nfs/dbraw/zinc/19/56/24/608195624.db2.gz KRTBCXHJJOMWFP-NEPJUHHUSA-N -1 1 324.388 2.642 20 0 DFADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1cccc(F)c1F ZINC000824662388 608304432 /nfs/dbraw/zinc/30/44/32/608304432.db2.gz JCVAYUUZAPQNNF-MRVPVSSYSA-N -1 1 302.288 2.713 20 0 DFADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1cccc(F)c1F ZINC000824662388 608304434 /nfs/dbraw/zinc/30/44/34/608304434.db2.gz JCVAYUUZAPQNNF-MRVPVSSYSA-N -1 1 302.288 2.713 20 0 DFADMM Fc1ccc2c(c1)CCC[C@H]2Nc1cccc(-c2nnn[n-]2)n1 ZINC000826375959 608306741 /nfs/dbraw/zinc/30/67/41/608306741.db2.gz IUZOVXNKTCKOFB-CYBMUJFWSA-N -1 1 310.336 2.890 20 0 DFADMM Fc1ccc2c(c1)CCC[C@H]2Nc1cccc(-c2nn[n-]n2)n1 ZINC000826375959 608306743 /nfs/dbraw/zinc/30/67/43/608306743.db2.gz IUZOVXNKTCKOFB-CYBMUJFWSA-N -1 1 310.336 2.890 20 0 DFADMM CC(C)(C)c1cc(NC(=O)CC2CC2)c(-c2nnn[n-]2)s1 ZINC000824130552 608349077 /nfs/dbraw/zinc/34/90/77/608349077.db2.gz MFYAZGXBCWNCQV-UHFFFAOYSA-N -1 1 305.407 2.964 20 0 DFADMM CC(C)(C)c1cc(NC(=O)CC2CC2)c(-c2nn[n-]n2)s1 ZINC000824130552 608349078 /nfs/dbraw/zinc/34/90/78/608349078.db2.gz MFYAZGXBCWNCQV-UHFFFAOYSA-N -1 1 305.407 2.964 20 0 DFADMM CC1(C)CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)c2ccccc21 ZINC000824801688 608406722 /nfs/dbraw/zinc/40/67/22/608406722.db2.gz GNPYANSRGPIOMJ-CYBMUJFWSA-N -1 1 321.388 2.881 20 0 DFADMM CC1(C)CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)c2ccccc21 ZINC000824801688 608406724 /nfs/dbraw/zinc/40/67/24/608406724.db2.gz GNPYANSRGPIOMJ-CYBMUJFWSA-N -1 1 321.388 2.881 20 0 DFADMM c1cc(N2CCC[C@@H]2CC2CCCCC2)nnc1-c1nnn[n-]1 ZINC000826517015 608409243 /nfs/dbraw/zinc/40/92/43/608409243.db2.gz MDBGDHOFFLKMGV-CYBMUJFWSA-N -1 1 313.409 2.596 20 0 DFADMM c1cc(N2CCC[C@@H]2CC2CCCCC2)nnc1-c1nn[n-]n1 ZINC000826517015 608409244 /nfs/dbraw/zinc/40/92/44/608409244.db2.gz MDBGDHOFFLKMGV-CYBMUJFWSA-N -1 1 313.409 2.596 20 0 DFADMM CC(C)c1ccc(CCCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000824347936 608418730 /nfs/dbraw/zinc/41/87/30/608418730.db2.gz UCWPDGDJULPSHU-UHFFFAOYSA-N -1 1 323.404 2.825 20 0 DFADMM CC(C)c1ccc(CCCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000824347936 608418731 /nfs/dbraw/zinc/41/87/31/608418731.db2.gz UCWPDGDJULPSHU-UHFFFAOYSA-N -1 1 323.404 2.825 20 0 DFADMM C[C@@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)C[C@H](C)O1 ZINC000824891479 608444328 /nfs/dbraw/zinc/44/43/28/608444328.db2.gz ABXKBCCSHCOKLU-ZSBIGDGJSA-N -1 1 324.388 2.783 20 0 DFADMM C[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)C[C@H](C)O1 ZINC000824891479 608444329 /nfs/dbraw/zinc/44/43/29/608444329.db2.gz ABXKBCCSHCOKLU-ZSBIGDGJSA-N -1 1 324.388 2.783 20 0 DFADMM Clc1ccc(Nc2ccc3c(c2)COC3)nc1-c1nn[n-]n1 ZINC000826352484 608558295 /nfs/dbraw/zinc/55/82/95/608558295.db2.gz CEAHLANDCXSFLU-UHFFFAOYSA-N -1 1 314.736 2.689 20 0 DFADMM Clc1ccc(Nc2ccc3c(c2)COC3)nc1-c1nnn[n-]1 ZINC000826352484 608558294 /nfs/dbraw/zinc/55/82/94/608558294.db2.gz CEAHLANDCXSFLU-UHFFFAOYSA-N -1 1 314.736 2.689 20 0 DFADMM FC1(F)CN(Cc2ccc(-c3nnn[n-]3)o2)Cc2ccccc21 ZINC000826370136 608847755 /nfs/dbraw/zinc/84/77/55/608847755.db2.gz FMJUXXMZHNVTSZ-UHFFFAOYSA-N -1 1 317.299 2.567 20 0 DFADMM FC1(F)CN(Cc2ccc(-c3nn[n-]n3)o2)Cc2ccccc21 ZINC000826370136 608847757 /nfs/dbraw/zinc/84/77/57/608847757.db2.gz FMJUXXMZHNVTSZ-UHFFFAOYSA-N -1 1 317.299 2.567 20 0 DFADMM FC(F)(F)c1ccc(CCCn2ccnc2-c2nnn[n-]2)cc1 ZINC000826368388 608892980 /nfs/dbraw/zinc/89/29/80/608892980.db2.gz NOZTXIDNJJEOPX-UHFFFAOYSA-N -1 1 322.294 2.715 20 0 DFADMM FC(F)(F)c1ccc(CCCn2ccnc2-c2nn[n-]n2)cc1 ZINC000826368388 608892982 /nfs/dbraw/zinc/89/29/82/608892982.db2.gz NOZTXIDNJJEOPX-UHFFFAOYSA-N -1 1 322.294 2.715 20 0 DFADMM CCC(CC)[C@@H]1C[C@@H](Nc2cccc(-c3nnn[n-]3)n2)CCO1 ZINC000825106542 609322061 /nfs/dbraw/zinc/32/20/61/609322061.db2.gz FWKUWQKHMSYDRY-JSGCOSHPSA-N -1 1 316.409 2.657 20 0 DFADMM CCC(CC)[C@@H]1C[C@@H](Nc2cccc(-c3nn[n-]n3)n2)CCO1 ZINC000825106542 609322063 /nfs/dbraw/zinc/32/20/63/609322063.db2.gz FWKUWQKHMSYDRY-JSGCOSHPSA-N -1 1 316.409 2.657 20 0 DFADMM CCCNC(=O)CCCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278309172 214080904 /nfs/dbraw/zinc/08/09/04/214080904.db2.gz YABPZEDYDCEGMW-UHFFFAOYSA-N -1 1 323.780 2.945 20 0 DFADMM CCOc1cc(C(=O)N[C@H]2CCOC[C@H]2C)cc(Cl)c1[O-] ZINC000278360628 214115784 /nfs/dbraw/zinc/11/57/84/214115784.db2.gz BJAZHBYUGJBMIO-SKDRFNHKSA-N -1 1 313.781 2.599 20 0 DFADMM CCn1c(=S)[n-]nc1[C@@H]1CCCN(C(=O)C2CC=CC2)C1 ZINC000076994399 185064468 /nfs/dbraw/zinc/06/44/68/185064468.db2.gz XMFZKDYAAZEKJY-GFCCVEGCSA-N -1 1 306.435 2.633 20 0 DFADMM CCCC[C@@H](CC)CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000079095592 185157701 /nfs/dbraw/zinc/15/77/01/185157701.db2.gz MEOGIAWJFUJXQO-GFCCVEGCSA-N -1 1 301.390 2.869 20 0 DFADMM CC[C@H](C)C[C@H](C)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000081952337 192345842 /nfs/dbraw/zinc/34/58/42/192345842.db2.gz KNHIOVRJBSVMEV-QWRGUYRKSA-N -1 1 307.438 2.930 20 0 DFADMM O=S(=O)([N-]CC1(C2CC2)CCC1)c1cc(F)c(F)cc1F ZINC000443715880 297224988 /nfs/dbraw/zinc/22/49/88/297224988.db2.gz GMTUJUKFGBLIOM-UHFFFAOYSA-N -1 1 319.348 2.963 20 0 DFADMM COc1ccc(Br)c(CN(C)C[C@@H](C)C(=O)[O-])c1 ZINC000087790198 185232204 /nfs/dbraw/zinc/23/22/04/185232204.db2.gz AWAANXHWXHHICK-SECBINFHSA-N -1 1 316.195 2.610 20 0 DFADMM CCn1ccnc1CNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000295841002 529578434 /nfs/dbraw/zinc/57/84/34/529578434.db2.gz VOZBCARJBLYWEV-UHFFFAOYSA-N -1 1 313.279 2.557 20 0 DFADMM Cc1nc(S[C@H](C)C(=O)Nc2ccccc2)[n-]c(=O)c1C ZINC000009291362 398375176 /nfs/dbraw/zinc/37/51/76/398375176.db2.gz UJIPRKDZSJVTNW-LLVKDONJSA-N -1 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/nfs/dbraw/zinc/22/20/88/283222088.db2.gz FZLGDCZHSYMRHE-HNNXBMFYSA-N -1 1 323.356 2.521 20 0 DFADMM CC(C)(C)OC(=O)CN(C(=O)c1ccc([O-])cc1F)C1CCC1 ZINC000594422694 398796803 /nfs/dbraw/zinc/79/68/03/398796803.db2.gz CVVYTJJLARYEFC-UHFFFAOYSA-N -1 1 323.364 2.868 20 0 DFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000416317061 295941145 /nfs/dbraw/zinc/94/11/45/295941145.db2.gz IGAIUDNYCSJIPP-UMNHJUIQSA-N -1 1 305.422 2.905 20 0 DFADMM COC[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)c1ccco1 ZINC000150833072 283268317 /nfs/dbraw/zinc/26/83/17/283268317.db2.gz SEAFPEWKCQIICO-GFCCVEGCSA-N -1 1 321.354 2.692 20 0 DFADMM CC1CCC(N(C[C@H]2CCCO2)C(=O)c2ncccc2[O-])CC1 ZINC000127589434 398821476 /nfs/dbraw/zinc/82/14/76/398821476.db2.gz ZIIZKRNMMACAIM-YMAMQOFZSA-N -1 1 318.417 2.987 20 0 DFADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000076001864 398833141 /nfs/dbraw/zinc/83/31/41/398833141.db2.gz YTYWCEGQKXRSPU-SNVBAGLBSA-N -1 1 305.765 2.789 20 0 DFADMM Cc1cc(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)no1 ZINC000152512021 283327190 /nfs/dbraw/zinc/32/71/90/283327190.db2.gz FHHYIJMKRUYIPQ-SNAWJCMRSA-N -1 1 302.315 2.850 20 0 DFADMM C[C@@H]1CCCC[C@H]1OCCNC(=O)c1c(F)ccc([O-])c1F ZINC000280678673 215789046 /nfs/dbraw/zinc/78/90/46/215789046.db2.gz CEYYMTQDMIMTPU-ZWNOBZJWSA-N -1 1 313.344 2.996 20 0 DFADMM Cc1ccc(C[C@H](C)C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000180874238 199221880 /nfs/dbraw/zinc/22/18/80/199221880.db2.gz FOEBWWGSTHRPCQ-VIFPVBQESA-N -1 1 312.295 2.949 20 0 DFADMM O=C(NCc1ccc(OCC2CC2)nc1)c1ccc([O-])cc1F ZINC000181197934 199263486 /nfs/dbraw/zinc/26/34/86/199263486.db2.gz AZHBRGJZSVHSNI-UHFFFAOYSA-N -1 1 316.332 2.645 20 0 DFADMM O=C(C(=O)N1CCCC[C@H]1c1nccs1)c1ccc([O-])cc1 ZINC000280918391 215963953 /nfs/dbraw/zinc/96/39/53/215963953.db2.gz JBXFFHRCIKYHTR-ZDUSSCGKSA-N -1 1 316.382 2.785 20 0 DFADMM C[C@H](NC(=O)CC(C)(C)C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000187079694 200058163 /nfs/dbraw/zinc/05/81/63/200058163.db2.gz WLEAOWGFQWUGET-VIFPVBQESA-N -1 1 312.797 2.925 20 0 DFADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N(C)C2CC2)c1 ZINC000146982728 398911669 /nfs/dbraw/zinc/91/16/69/398911669.db2.gz JXDYFQISSGWPCP-UHFFFAOYSA-N -1 1 316.430 2.927 20 0 DFADMM CCc1ccccc1S(=O)(=O)[N-]c1cc(CN(C)C)ccn1 ZINC000188061346 200187937 /nfs/dbraw/zinc/18/79/37/200187937.db2.gz RZTSMFOQXFKNNS-UHFFFAOYSA-N -1 1 319.430 2.506 20 0 DFADMM O=C(C(=O)N1CCC[C@H](Nc2ccccc2)C1)c1ccc([O-])cc1 ZINC000281103567 216080379 /nfs/dbraw/zinc/08/03/79/216080379.db2.gz WCUIRKOOGDKJFY-INIZCTEOSA-N -1 1 324.380 2.678 20 0 DFADMM Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000188364493 200233704 /nfs/dbraw/zinc/23/37/04/200233704.db2.gz PQIJTEBBCDQBHZ-QMMMGPOBSA-N -1 1 322.796 2.608 20 0 DFADMM C[C@H]1OCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])[C@H]1C ZINC000180730998 291203092 /nfs/dbraw/zinc/20/30/92/291203092.db2.gz DEUZOOVBIBOCGZ-DTWKUNHWSA-N -1 1 303.280 2.660 20 0 DFADMM CCC[C@@H](C)[C@@H]1CCCN1C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287791210 283496531 /nfs/dbraw/zinc/49/65/31/283496531.db2.gz XDXKGIXKYUGXRB-HQIHALCFSA-N -1 1 315.421 2.774 20 0 DFADMM CCSC1(C[N-]S(=O)(=O)c2cccc(F)c2F)CC1 ZINC000595348235 398926007 /nfs/dbraw/zinc/92/60/07/398926007.db2.gz FHAWEEYGPDBUSN-UHFFFAOYSA-N -1 1 307.387 2.529 20 0 DFADMM CCC(CC)[C@@H]1C[C@@H](NC(=O)C(=O)c2ccc([O-])cc2)CCO1 ZINC000281168477 216126008 /nfs/dbraw/zinc/12/60/08/216126008.db2.gz ISNBBRHRZPGNSA-HOCLYGCPSA-N -1 1 319.401 2.675 20 0 DFADMM Cc1nc(-c2ccc(N3C[C@@H]4[C@H](C3)C4(C)C)nc2)[n-]c(=O)c1C ZINC000078412051 398954676 /nfs/dbraw/zinc/95/46/76/398954676.db2.gz CJVXJHMYHIIKKD-OKILXGFUSA-N -1 1 310.401 2.541 20 0 DFADMM C[C@H]1CCCN(C(=O)c2ncc3ccccc3c2[O-])[C@H]1CCO ZINC000617996907 398963479 /nfs/dbraw/zinc/96/34/79/398963479.db2.gz ZMZHXTLAZWIGHN-WFASDCNBSA-N -1 1 314.385 2.564 20 0 DFADMM O=C([O-])C[C@@H](NCc1cnc(C2CC2)nc1)c1ccsc1 ZINC000417538529 296029425 /nfs/dbraw/zinc/02/94/25/296029425.db2.gz UQGOJDUVJRULEH-CYBMUJFWSA-N -1 1 303.387 2.721 20 0 DFADMM Cc1ccc([C@H](NCc2cnc(C(C)(C)C)nc2)C(=O)[O-])cc1 ZINC000417541079 296029600 /nfs/dbraw/zinc/02/96/00/296029600.db2.gz XSSAQFGJDSBCJY-HNNXBMFYSA-N -1 1 313.401 2.998 20 0 DFADMM Cc1cnn(C)c1CN[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000417553690 296030536 /nfs/dbraw/zinc/03/05/36/296030536.db2.gz HXHKJOCBURVLDT-ZDUSSCGKSA-N -1 1 307.781 2.688 20 0 DFADMM O=C(c1ncccc1[O-])N(Cc1cccs1)C[C@H]1CCCO1 ZINC000292697028 223206158 /nfs/dbraw/zinc/20/61/58/223206158.db2.gz NJIYWYFJWMHPSO-GFCCVEGCSA-N -1 1 318.398 2.670 20 0 DFADMM C[C@@H](C(=O)[O-])[C@@H](NCc1ccn(C(F)F)n1)c1ccccc1 ZINC000417566903 296031734 /nfs/dbraw/zinc/03/17/34/296031734.db2.gz RUBHEPNHBOYTGY-ZWNOBZJWSA-N -1 1 309.316 2.830 20 0 DFADMM Cc1ccc(-c2ccc(CN[C@H](C(=O)[O-])[C@H]3CCOC3)o2)cc1 ZINC000417597676 296034054 /nfs/dbraw/zinc/03/40/54/296034054.db2.gz VALVBKADZDCPCF-YOEHRIQHSA-N -1 1 315.369 2.834 20 0 DFADMM CCCCOc1ccccc1CN[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000417592743 296033735 /nfs/dbraw/zinc/03/37/35/296033735.db2.gz HJYCILHQJSDWDA-MRXNPFEDSA-N -1 1 317.389 2.515 20 0 DFADMM COC[C@H](NCc1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC000417620127 296036211 /nfs/dbraw/zinc/03/62/11/296036211.db2.gz FPBDBCOXWBKUGN-ZDUSSCGKSA-N -1 1 309.362 2.743 20 0 DFADMM Cc1ccc(CN[C@@H]2C=C[C@@H](C(=O)[O-])C2)c(Br)c1 ZINC000417624694 296036538 /nfs/dbraw/zinc/03/65/38/296036538.db2.gz QMVIADCJQFUAIN-ZYHUDNBSSA-N -1 1 310.191 2.876 20 0 DFADMM COC[C@H](NCc1ccc(-c2cccc(F)c2)s1)C(=O)[O-] ZINC000417635759 296037393 /nfs/dbraw/zinc/03/73/93/296037393.db2.gz WULIRZHYEWOHEP-ZDUSSCGKSA-N -1 1 309.362 2.743 20 0 DFADMM C[S@](=O)C1(CNC(=O)c2ccc3ccccc3c2[O-])CCC1 ZINC000281523425 216359273 /nfs/dbraw/zinc/35/92/73/216359273.db2.gz KXTAOKUTRXTDSY-QFIPXVFZSA-N -1 1 317.410 2.576 20 0 DFADMM Cc1nn(C(C)(C)C)cc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000194585066 201255400 /nfs/dbraw/zinc/25/54/00/201255400.db2.gz FAMZGQYSAKGDCJ-UHFFFAOYSA-N -1 1 308.769 2.953 20 0 DFADMM Cc1nc([C@@H]([N-]C(=O)C(F)F)c2ccc(Cl)cc2)no1 ZINC000194832486 201297744 /nfs/dbraw/zinc/29/77/44/201297744.db2.gz XRMXVBNNJXECBG-VIFPVBQESA-N -1 1 301.680 2.502 20 0 DFADMM C[C@@]1(NC(=O)c2ncc3ccccc3c2[O-])CCO[C@H]1C1CC1 ZINC000613471858 398996807 /nfs/dbraw/zinc/99/68/07/398996807.db2.gz LGWCGQWALAUGDR-FUHWJXTLSA-N -1 1 312.369 2.628 20 0 DFADMM CC(C)C[C@H](NC(=O)c1ccc([O-])c(F)c1)C(=O)OC(C)C ZINC000613510231 399007181 /nfs/dbraw/zinc/00/71/81/399007181.db2.gz MEIFJFBSQWENDW-ZDUSSCGKSA-N -1 1 311.353 2.627 20 0 DFADMM O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1c([O-])cccc1F ZINC000249358923 283783686 /nfs/dbraw/zinc/78/36/86/283783686.db2.gz SAQMSOHSBZSWOJ-COLVAYQJSA-N -1 1 305.349 2.609 20 0 DFADMM CC(C)OC(=O)C[C@@H]1CCCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000613532861 399013074 /nfs/dbraw/zinc/01/30/74/399013074.db2.gz NWJIRRCANRLGDE-LBPRGKRZSA-N -1 1 323.364 2.725 20 0 DFADMM CC(C)Cc1nc(=NC[C@H](Cc2ccccc2)N(C)C)s[n-]1 ZINC000475450369 299348179 /nfs/dbraw/zinc/34/81/79/299348179.db2.gz GCEJEQFJPIYTEY-HNNXBMFYSA-N -1 1 318.490 2.743 20 0 DFADMM O=C(Cc1ccc(-n2cccn2)cc1)Nc1c([O-])cccc1F ZINC000605435970 399019501 /nfs/dbraw/zinc/01/95/01/399019501.db2.gz JLEXTZGFQLATLQ-UHFFFAOYSA-N -1 1 311.316 2.898 20 0 DFADMM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000476278589 299353481 /nfs/dbraw/zinc/35/34/81/299353481.db2.gz YZSUKCWEPROEKB-UHFFFAOYSA-N -1 1 319.382 2.891 20 0 DFADMM C[C@@H](CC1CCCCC1)C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000605532195 399029930 /nfs/dbraw/zinc/02/99/30/399029930.db2.gz RAMIIMUIIGVGKQ-LBPRGKRZSA-N -1 1 305.426 2.692 20 0 DFADMM COc1cccc(CNCc2ccc(C(=O)[O-])s2)c1OC ZINC000006751478 181383072 /nfs/dbraw/zinc/38/30/72/181383072.db2.gz ZNCFKVHYPSVHCE-UHFFFAOYSA-N -1 1 307.371 2.753 20 0 DFADMM Cc1cccc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c1 ZINC000091160311 193008573 /nfs/dbraw/zinc/00/85/73/193008573.db2.gz GIMXDFHBBBTXBW-UHFFFAOYSA-N -1 1 322.361 2.758 20 0 DFADMM CCOC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(F)c2[O-])c1C ZINC000600443495 399052794 /nfs/dbraw/zinc/05/27/94/399052794.db2.gz AKCSWRDJCRXGMX-UHFFFAOYSA-N -1 1 320.320 2.905 20 0 DFADMM CCC[C@@H](NC(=O)c1ccc(SCC)cc1)c1nn[n-]n1 ZINC000478935479 299370373 /nfs/dbraw/zinc/37/03/73/299370373.db2.gz YDOVBXRNHXNOFW-GFCCVEGCSA-N -1 1 305.407 2.583 20 0 DFADMM CC[C@@]1(CO)CCCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000613692751 399060804 /nfs/dbraw/zinc/06/08/04/399060804.db2.gz CKENTSIJIOUAPT-GOSISDBHSA-N -1 1 314.385 2.565 20 0 DFADMM O=C(NCc1nn[n-]n1)c1cc2sc3ccccc3c2s1 ZINC000600493541 399063565 /nfs/dbraw/zinc/06/35/65/399063565.db2.gz BMUBJNVUOOBWHZ-UHFFFAOYSA-N -1 1 315.383 2.559 20 0 DFADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@](O)(C2CC2)C1 ZINC000618286662 399072928 /nfs/dbraw/zinc/07/29/28/399072928.db2.gz SCOZNJKLMQFHAC-LJQANCHMSA-N -1 1 311.381 2.923 20 0 DFADMM COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1ncc(C)cc1[O-] ZINC000338377177 284106241 /nfs/dbraw/zinc/10/62/41/284106241.db2.gz OZOICXHOWFNAGE-ZDUSSCGKSA-N -1 1 316.332 2.661 20 0 DFADMM CCCCc1nc2ccc(NC(=O)[C@H]3CC[C@@H]3C(=O)[O-])cc2[nH]1 ZINC000262195189 203226852 /nfs/dbraw/zinc/22/68/52/203226852.db2.gz 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O=C(c1cc(Cl)ccc1[O-])N1CCC(c2ncc[nH]2)CC1 ZINC000299527780 534659607 /nfs/dbraw/zinc/65/96/07/534659607.db2.gz MOYLVSGXFAHFGV-UHFFFAOYSA-N -1 1 305.765 2.789 20 0 DFADMM O=C(c1cc2ccccc2cc1[O-])N1CCC(O)(C(F)F)CC1 ZINC000332511231 534672900 /nfs/dbraw/zinc/67/29/00/534672900.db2.gz KBLASVSXNXJJGW-UHFFFAOYSA-N -1 1 321.323 2.778 20 0 DFADMM CCn1ncc2c1CCC[C@@H]2NC(=O)c1cc(F)ccc1[O-] ZINC000364210929 523694265 /nfs/dbraw/zinc/69/42/65/523694265.db2.gz MQWAQGPVYKHQLN-ZDUSSCGKSA-N -1 1 303.337 2.555 20 0 DFADMM Cc1cn2c(n1)CC[C@H](NC(=O)c1ccc3ccccc3c1[O-])C2 ZINC000156478965 525922025 /nfs/dbraw/zinc/92/20/25/525922025.db2.gz MEQQIDFLFZGOBM-AWEZNQCLSA-N -1 1 321.380 2.795 20 0 DFADMM CSc1nc(C)c(CCC(=O)N2C[C@H]3CCCC[C@H]32)c(=O)[n-]1 ZINC000365773598 526211222 /nfs/dbraw/zinc/21/12/22/526211222.db2.gz SFDPISIZJJWSDO-DGCLKSJQSA-N -1 1 321.446 2.546 20 0 DFADMM CC(C)(C)CC[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000330833826 527670767 /nfs/dbraw/zinc/67/07/67/527670767.db2.gz VXHPOIDNGUYIPC-UHFFFAOYSA-N -1 1 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CCCNC(=O)c1cccc(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000681018150 545583161 /nfs/dbraw/zinc/58/31/61/545583161.db2.gz SGGKJWKPKDYQNK-UHFFFAOYSA-N -1 1 316.332 2.923 20 0 DFADMM O=C(NCCOc1cccc(Cl)c1)c1ccc([O-])c(F)c1 ZINC000681019550 545583192 /nfs/dbraw/zinc/58/31/92/545583192.db2.gz KMDOWZRBBHKTMZ-UHFFFAOYSA-N -1 1 309.724 2.994 20 0 DFADMM O=C(N[C@H]1CCOc2c(F)cccc21)c1ccc([O-])c(F)c1 ZINC000681021724 545583828 /nfs/dbraw/zinc/58/38/28/545583828.db2.gz YGMFKJWADGONDC-ZDUSSCGKSA-N -1 1 305.280 2.924 20 0 DFADMM Cc1nc(C2(NC(=O)c3ccc([O-])c(F)c3)CCCCC2)no1 ZINC000681021060 545583912 /nfs/dbraw/zinc/58/39/12/545583912.db2.gz IPPZFWSAEBQUAH-UHFFFAOYSA-N -1 1 319.336 2.812 20 0 DFADMM Cc1cnn([C@H]2CCCN(C(=O)c3ccc([O-])c(F)c3)C2)c1 ZINC000681041724 545587082 /nfs/dbraw/zinc/58/70/82/545587082.db2.gz FGEVGCKPJSPBHB-ZDUSSCGKSA-N -1 1 303.337 2.514 20 0 DFADMM COc1ccccc1CCN(C)C(=O)c1ccc([O-])c(F)c1 ZINC000681041594 545587110 /nfs/dbraw/zinc/58/71/10/545587110.db2.gz OOEGDEMNZHWLAI-UHFFFAOYSA-N -1 1 303.333 2.855 20 0 DFADMM CN(CCN(C)c1ccccc1)C(=O)c1ccc([O-])c(F)c1 ZINC000681045143 545587905 /nfs/dbraw/zinc/58/79/05/545587905.db2.gz VBHSARSKPJAGDR-UHFFFAOYSA-N -1 1 302.349 2.740 20 0 DFADMM CCO[C@@H]1C[C@H](NC(=O)c2ccc([O-])c(F)c2)C12CCCC2 ZINC000681049908 545589058 /nfs/dbraw/zinc/58/90/58/545589058.db2.gz OPYRNSULKASOBS-LSDHHAIUSA-N -1 1 307.365 2.999 20 0 DFADMM COc1ccc2c(c1)OCC[C@H]2NC(=O)c1ccc([O-])c(F)c1 ZINC000681051228 545589076 /nfs/dbraw/zinc/58/90/76/545589076.db2.gz VTUITMFNIHMNCB-CQSZACIVSA-N -1 1 317.316 2.794 20 0 DFADMM Cn1c(NC(=O)c2ccc([O-])c(F)c2)nc2c1cccc2F ZINC000681055369 545589518 /nfs/dbraw/zinc/58/95/18/545589518.db2.gz GQJNHUDIHQQKIX-UHFFFAOYSA-N -1 1 303.268 2.809 20 0 DFADMM Cc1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1C(=O)N(C)C ZINC000681054831 545590074 /nfs/dbraw/zinc/59/00/74/545590074.db2.gz FZRFLNOAJORSRS-UHFFFAOYSA-N -1 1 316.332 2.794 20 0 DFADMM CN(C)c1nc2cc(NC(=O)c3ccc([O-])c(F)c3)ccc2o1 ZINC000681055720 545590079 /nfs/dbraw/zinc/59/00/79/545590079.db2.gz ACUHAOSVNFQQDK-UHFFFAOYSA-N -1 1 315.304 2.991 20 0 DFADMM CN(C)C(=O)c1cc(NC(=O)c2ccc([O-])c(F)c2)ccc1F ZINC000681054590 545590105 /nfs/dbraw/zinc/59/01/05/545590105.db2.gz WZEXDCHGICWWCR-UHFFFAOYSA-N -1 1 320.295 2.625 20 0 DFADMM Cn1cc([C@@H]2CCCN(C(=O)c3cc(Cl)ccc3[O-])C2)cn1 ZINC000681378953 545634965 /nfs/dbraw/zinc/63/49/65/545634965.db2.gz DGQZVURHONCCKS-LLVKDONJSA-N -1 1 319.792 2.799 20 0 DFADMM CC[C@]1(C)Oc2ccc(NC(=O)c3n[nH]c(C)c3[O-])cc2O1 ZINC000682388915 545835997 /nfs/dbraw/zinc/83/59/97/545835997.db2.gz IROYPRKJTQQOKQ-OAHLLOKOSA-N -1 1 303.318 2.573 20 0 DFADMM Cc1cc(CCNC(=O)c2ccc([O-])c(F)c2)cc(C)c1O ZINC000682567554 545875659 /nfs/dbraw/zinc/87/56/59/545875659.db2.gz HVDWFIRGIAASOZ-UHFFFAOYSA-N -1 1 303.333 2.826 20 0 DFADMM COc1nnc([N-]C(=O)c2csc(-c3cccs3)n2)s1 ZINC000682679903 545896680 /nfs/dbraw/zinc/89/66/80/545896680.db2.gz RIRXWHLEVOKRIO-UHFFFAOYSA-N -1 1 324.412 2.984 20 0 DFADMM O=C([N-]c1cnoc1)c1cc(Br)c(F)cc1F 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O=C(N[C@H]1CCCC[C@@H]1CO)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684876897 546296737 /nfs/dbraw/zinc/29/67/37/546296737.db2.gz FYFAKELUZOXFBN-PWSUYJOCSA-N -1 1 317.307 2.692 20 0 DFADMM CC[C@@H](C)[C@@H](O)CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684877456 546296996 /nfs/dbraw/zinc/29/69/96/546296996.db2.gz QDZVOSBQJYPNQI-PELKAZGASA-N -1 1 305.296 2.548 20 0 DFADMM Cn1nccc1[C@@H]1CCCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000684990695 546314448 /nfs/dbraw/zinc/31/44/48/546314448.db2.gz JAEIFWAHMLMJMC-AWEZNQCLSA-N -1 1 303.337 2.632 20 0 DFADMM C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)c2ccc([O-])c(F)c2)C1 ZINC000684994429 546315239 /nfs/dbraw/zinc/31/52/39/546315239.db2.gz UFJJPEGVYJESDH-JMGFVUJMSA-N -1 1 321.392 2.933 20 0 DFADMM O=C(c1ccc([O-])c(F)c1)N1CCC2(C1)Oc1ccccc1O2 ZINC000685864333 546401200 /nfs/dbraw/zinc/40/12/00/546401200.db2.gz LBYLMODOFVMDML-UHFFFAOYSA-N -1 1 315.300 2.545 20 0 DFADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NC[C@H]1CC=CCC1 ZINC000735399869 598961617 /nfs/dbraw/zinc/96/16/17/598961617.db2.gz MRIUFPNRPPTXKD-NSHDSACASA-N -1 1 307.361 2.578 20 0 DFADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NC[C@H]1CC=CCC1 ZINC000735399869 598961618 /nfs/dbraw/zinc/96/16/18/598961618.db2.gz MRIUFPNRPPTXKD-NSHDSACASA-N -1 1 307.361 2.578 20 0 DFADMM CCC1(C)CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000736394836 598964970 /nfs/dbraw/zinc/96/49/70/598964970.db2.gz FPEHIAXJMCNDSH-UHFFFAOYSA-N -1 1 323.404 2.826 20 0 DFADMM CCC1(C)CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000736394836 598964971 /nfs/dbraw/zinc/96/49/71/598964971.db2.gz FPEHIAXJMCNDSH-UHFFFAOYSA-N -1 1 323.404 2.826 20 0 DFADMM CCCCc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736465127 598978841 /nfs/dbraw/zinc/97/88/41/598978841.db2.gz AVWJQGMZQKWREO-UHFFFAOYSA-N -1 1 322.372 2.857 20 0 DFADMM CCCCc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736465127 598978843 /nfs/dbraw/zinc/97/88/43/598978843.db2.gz AVWJQGMZQKWREO-UHFFFAOYSA-N -1 1 322.372 2.857 20 0 DFADMM Cc1ccc(N(C(=O)c2ccc(-c3nnn[n-]3)nc2)C(C)C)cc1 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Clc1ccc(NCC(C2CC2)C2CC2)nc1-c1nnn[n-]1 ZINC000822578512 599086110 /nfs/dbraw/zinc/08/61/10/599086110.db2.gz KCVQPUNDDOVYJS-UHFFFAOYSA-N -1 1 304.785 2.763 20 0 DFADMM Clc1ccc(NCC(C2CC2)C2CC2)nc1-c1nn[n-]n1 ZINC000822578512 599086113 /nfs/dbraw/zinc/08/61/13/599086113.db2.gz KCVQPUNDDOVYJS-UHFFFAOYSA-N -1 1 304.785 2.763 20 0 DFADMM Clc1ccc(N2CCC3(CCCC3)C2)nc1-c1nnn[n-]1 ZINC000822573878 599093255 /nfs/dbraw/zinc/09/32/55/599093255.db2.gz KECPZTJWXBLOON-UHFFFAOYSA-N -1 1 304.785 2.686 20 0 DFADMM Clc1ccc(N2CCC3(CCCC3)C2)nc1-c1nn[n-]n1 ZINC000822573878 599093260 /nfs/dbraw/zinc/09/32/60/599093260.db2.gz KECPZTJWXBLOON-UHFFFAOYSA-N -1 1 304.785 2.686 20 0 DFADMM COc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1F ZINC000821836020 607308879 /nfs/dbraw/zinc/30/88/79/607308879.db2.gz YBKKDFIMIFCMBA-UHFFFAOYSA-N -1 1 305.338 2.688 20 0 DFADMM COc1ccc(Cl)cc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000821827551 607310936 /nfs/dbraw/zinc/31/09/36/607310936.db2.gz FFPLBENZMPSIJR-UHFFFAOYSA-N -1 1 305.725 2.734 20 0 DFADMM COc1ccc(Cl)cc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000821827551 607310937 /nfs/dbraw/zinc/31/09/37/607310937.db2.gz FFPLBENZMPSIJR-UHFFFAOYSA-N -1 1 305.725 2.734 20 0 DFADMM Cc1nc2ccc(NCc3ccc(-c4nn[n-]n4)s3)cc2o1 ZINC000822462085 607311877 /nfs/dbraw/zinc/31/18/77/607311877.db2.gz DSKIWVXJTLKKOE-UHFFFAOYSA-N -1 1 312.358 2.990 20 0 DFADMM COc1ccc(CN2CCC(C(=O)[O-])CC2)c(Cl)c1OC ZINC000086727791 598120814 /nfs/dbraw/zinc/12/08/14/598120814.db2.gz ZYPQBYXMDWFNHX-UHFFFAOYSA-N -1 1 313.781 2.654 20 0 DFADMM CC(C)n1ncc2cc(CN(C)[C@@H](C)C(=O)[O-])c(Cl)nc21 ZINC000819888851 598130759 /nfs/dbraw/zinc/13/07/59/598130759.db2.gz FMGVNZOKJGJJME-VIFPVBQESA-N -1 1 310.785 2.571 20 0 DFADMM O=C([O-])c1cccc(CNCc2ccc(Br)cn2)c1 ZINC000821553050 598194307 /nfs/dbraw/zinc/19/43/07/598194307.db2.gz WLNYHXUYOXKPDE-UHFFFAOYSA-N -1 1 321.174 2.832 20 0 DFADMM C[C@H](CC(=O)[O-])Nc1cccc(CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000820089413 598217807 /nfs/dbraw/zinc/21/78/07/598217807.db2.gz PMUDNDZUMFWIPS-RDBSUJKOSA-N -1 1 306.406 2.571 20 0 DFADMM CC(C)(C)[C@H]1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC000735597624 598347371 /nfs/dbraw/zinc/34/73/71/598347371.db2.gz QTXQUDRWCWEGBP-NEPJUHHUSA-N -1 1 315.425 2.921 20 0 DFADMM CC(C)(C)[C@H]1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC000735597624 598347374 /nfs/dbraw/zinc/34/73/74/598347374.db2.gz QTXQUDRWCWEGBP-NEPJUHHUSA-N -1 1 315.425 2.921 20 0 DFADMM Clc1ccc(NCCOC2CCCCC2)nc1-c1nnn[n-]1 ZINC000737573425 598578117 /nfs/dbraw/zinc/57/81/17/598578117.db2.gz HHOOTIBELQZHNN-UHFFFAOYSA-N -1 1 322.800 2.676 20 0 DFADMM Clc1ccc(NCCOC2CCCCC2)nc1-c1nn[n-]n1 ZINC000737573425 598578118 /nfs/dbraw/zinc/57/81/18/598578118.db2.gz HHOOTIBELQZHNN-UHFFFAOYSA-N -1 1 322.800 2.676 20 0 DFADMM C[C@@H]1CC[C@@H](OC(=O)c2sccc2-c2nn[n-]n2)[C@@H](C)C1 ZINC000736244753 599375753 /nfs/dbraw/zinc/37/57/53/599375753.db2.gz MWMYZQUTHSZDKB-WCABBAIRSA-N -1 1 306.391 2.910 20 0 DFADMM c1coc([C@H](NCc2ccc(-c3nnn[n-]3)o2)c2ccccc2)c1 ZINC000823772331 599397710 /nfs/dbraw/zinc/39/77/10/599397710.db2.gz JQEXFWHHBYNJEK-MRXNPFEDSA-N -1 1 321.340 2.932 20 0 DFADMM c1coc([C@H](NCc2ccc(-c3nn[n-]n3)o2)c2ccccc2)c1 ZINC000823772331 599397712 /nfs/dbraw/zinc/39/77/12/599397712.db2.gz JQEXFWHHBYNJEK-MRXNPFEDSA-N -1 1 321.340 2.932 20 0 DFADMM CCN(CCCNc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000736537208 599399155 /nfs/dbraw/zinc/39/91/55/599399155.db2.gz KAUXHIZXDOUZAZ-UHFFFAOYSA-N -1 1 323.404 2.590 20 0 DFADMM CCN(CCCNc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000736537208 599399159 /nfs/dbraw/zinc/39/91/59/599399159.db2.gz KAUXHIZXDOUZAZ-UHFFFAOYSA-N -1 1 323.404 2.590 20 0 DFADMM Cc1cccc2c1OCC[C@H]2Nc1cccc(-c2nnn[n-]2)n1 ZINC000737409106 599422825 /nfs/dbraw/zinc/42/28/25/599422825.db2.gz NBLHMWKSUTWFMA-GFCCVEGCSA-N -1 1 308.345 2.506 20 0 DFADMM Cc1cccc2c1OCC[C@H]2Nc1cccc(-c2nn[n-]n2)n1 ZINC000737409106 599422826 /nfs/dbraw/zinc/42/28/26/599422826.db2.gz NBLHMWKSUTWFMA-GFCCVEGCSA-N -1 1 308.345 2.506 20 0 DFADMM Cc1ccc(C)n1C1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000737330327 599423270 /nfs/dbraw/zinc/42/32/70/599423270.db2.gz NFIZRLGVTUOOOW-UHFFFAOYSA-N -1 1 323.404 2.522 20 0 DFADMM Cc1ccc(C)n1C1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000737330327 599423272 /nfs/dbraw/zinc/42/32/72/599423272.db2.gz NFIZRLGVTUOOOW-UHFFFAOYSA-N -1 1 323.404 2.522 20 0 DFADMM COc1c(C)cc(CN(C)c2cccc(-c3nnn[n-]3)n2)cc1C ZINC000737022724 599424899 /nfs/dbraw/zinc/42/48/99/599424899.db2.gz ASSSOLCFPKFVOE-UHFFFAOYSA-N -1 1 324.388 2.524 20 0 DFADMM COc1c(C)cc(CN(C)c2cccc(-c3nn[n-]n3)n2)cc1C ZINC000737022724 599424903 /nfs/dbraw/zinc/42/49/03/599424903.db2.gz ASSSOLCFPKFVOE-UHFFFAOYSA-N -1 1 324.388 2.524 20 0 DFADMM CC(C)(CNc1cccc(-c2nnn[n-]2)n1)Cc1ccccc1 ZINC000735670578 599440260 /nfs/dbraw/zinc/44/02/60/599440260.db2.gz CVQHEZNNGMBRQI-UHFFFAOYSA-N -1 1 308.389 2.943 20 0 DFADMM CC(C)(CNc1cccc(-c2nn[n-]n2)n1)Cc1ccccc1 ZINC000735670578 599440262 /nfs/dbraw/zinc/44/02/62/599440262.db2.gz CVQHEZNNGMBRQI-UHFFFAOYSA-N -1 1 308.389 2.943 20 0 DFADMM CC(C)(C)[C@H]1OCCC[C@H]1CNc1cccc(-c2nnn[n-]2)n1 ZINC000735595046 599440505 /nfs/dbraw/zinc/44/05/05/599440505.db2.gz DJULKDCCLLTKDG-FZMZJTMJSA-N -1 1 316.409 2.515 20 0 DFADMM CC(C)(C)[C@H]1OCCC[C@H]1CNc1cccc(-c2nn[n-]n2)n1 ZINC000735595046 599440509 /nfs/dbraw/zinc/44/05/09/599440509.db2.gz DJULKDCCLLTKDG-FZMZJTMJSA-N -1 1 316.409 2.515 20 0 DFADMM CSCC[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000737180086 599445761 /nfs/dbraw/zinc/44/57/61/599445761.db2.gz BIGXYDDSHJXBSJ-YFKPBYRVSA-N -1 1 304.832 2.530 20 0 DFADMM CSCC[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000737180086 599445764 /nfs/dbraw/zinc/44/57/64/599445764.db2.gz BIGXYDDSHJXBSJ-YFKPBYRVSA-N -1 1 304.832 2.530 20 0 DFADMM COc1ccc([C@@H](NCc2cc(F)ccc2OC)C(=O)[O-])cc1 ZINC000737969203 599861724 /nfs/dbraw/zinc/86/17/24/599861724.db2.gz JGQQCZZQXQHJQG-MRXNPFEDSA-N -1 1 319.332 2.758 20 0 DFADMM CC(C)(C(=O)NOCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000736224050 599923510 /nfs/dbraw/zinc/92/35/10/599923510.db2.gz UFOZHEVSYWHLQE-UHFFFAOYSA-N -1 1 313.353 2.910 20 0 DFADMM Cc1[nH]c2ccccc2c1C(=O)CN1CCCC[C@@H]1CC(=O)[O-] ZINC000738246415 600087196 /nfs/dbraw/zinc/08/71/96/600087196.db2.gz FPNBRIXYAKDONW-CYBMUJFWSA-N -1 1 314.385 2.988 20 0 DFADMM O=C([O-])c1cccc(NC(=O)CN2CCCc3ccccc3C2)c1 ZINC000739290035 600094752 /nfs/dbraw/zinc/09/47/52/600094752.db2.gz OIRCUXGCSGIUAD-UHFFFAOYSA-N -1 1 324.380 2.772 20 0 DFADMM O=C([O-])c1ccc2c(c1)CN(C(=O)c1ccc(O)c(Cl)c1)C2 ZINC000317021351 600103002 /nfs/dbraw/zinc/10/30/02/600103002.db2.gz OOYWCBMEASNMTO-UHFFFAOYSA-N -1 1 317.728 2.900 20 0 DFADMM CC(C)(C)OC(=O)C1CCN(Cc2cccc(C(=O)[O-])c2)CC1 ZINC000736262814 600143560 /nfs/dbraw/zinc/14/35/60/600143560.db2.gz UVYCRZABYNZAIF-UHFFFAOYSA-N -1 1 319.401 2.939 20 0 DFADMM CCC[C@](C)(NCC(=O)N[C@H](C)c1ccc(C)c(C)c1)C(=O)[O-] ZINC000736966062 600151926 /nfs/dbraw/zinc/15/19/26/600151926.db2.gz ZFPQAYIZKGMFFT-KDOFPFPSSA-N -1 1 320.433 2.714 20 0 DFADMM CCC[C@](C)(NCC(=O)N(C)[C@@H](C)c1ccc(F)cc1)C(=O)[O-] ZINC000736959568 600152743 /nfs/dbraw/zinc/15/27/43/600152743.db2.gz GVQDZBCEAGHJFM-SJCJKPOMSA-N -1 1 324.396 2.578 20 0 DFADMM Cc1[nH]c(C(=O)CN2CC[C@@H](c3ccco3)C2)c(C)c1C(=O)[O-] ZINC000738152231 600326864 /nfs/dbraw/zinc/32/68/64/600326864.db2.gz AWXQGIVIVLXSKR-GFCCVEGCSA-N -1 1 316.357 2.595 20 0 DFADMM C[C@H](CN(C)CC(=O)Nc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000263338921 600363513 /nfs/dbraw/zinc/36/35/13/600363513.db2.gz NAIRBTGEJZQGKB-GFCCVEGCSA-N -1 1 306.406 2.575 20 0 DFADMM C[C@@H](CN(C)CC(=O)Nc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000263338922 600363552 /nfs/dbraw/zinc/36/35/52/600363552.db2.gz NAIRBTGEJZQGKB-LBPRGKRZSA-N -1 1 306.406 2.575 20 0 DFADMM Cc1cc(-c2noc([C@H](C)N(C)C[C@H](C)C(=O)[O-])n2)ccc1F ZINC000738314202 600375466 /nfs/dbraw/zinc/37/54/66/600375466.db2.gz LDHSIBUVYWGGDB-QWRGUYRKSA-N -1 1 321.352 2.898 20 0 DFADMM C[C@H]1SCCN(Cn2ncc3cc(C(=O)[O-])ccc32)[C@H]1C ZINC000736837289 600488752 /nfs/dbraw/zinc/48/87/52/600488752.db2.gz LZGHMWYJTVZLKO-WDEREUQCSA-N -1 1 305.403 2.518 20 0 DFADMM CCOc1cc(CNCc2ccc(C(=O)[O-])o2)ccc1OC ZINC000737190725 600524862 /nfs/dbraw/zinc/52/48/62/600524862.db2.gz ALXCYXNRICQVKL-UHFFFAOYSA-N -1 1 305.330 2.675 20 0 DFADMM COCCN(CCC(=O)[O-])Cc1nc(-c2ccsc2)oc1C ZINC000737795096 600641211 /nfs/dbraw/zinc/64/12/11/600641211.db2.gz WXSCZARXGCVINP-UHFFFAOYSA-N -1 1 324.402 2.635 20 0 DFADMM CC(C)[C@@H]1CN(Cn2ncc3cc(C(=O)[O-])ccc32)CCS1 ZINC000826741241 600717301 /nfs/dbraw/zinc/71/73/01/600717301.db2.gz AGFNZCWNHGGKSE-HNNXBMFYSA-N -1 1 319.430 2.765 20 0 DFADMM C[C@@H](C(=O)OCc1cccc(C(=O)[O-])c1)N1[C@H](C)CC[C@@H]1C ZINC000736764904 600736806 /nfs/dbraw/zinc/73/68/06/600736806.db2.gz XSQXWYXRDLESRT-XQQFMLRXSA-N -1 1 305.374 2.689 20 0 DFADMM C[C@H](C(=O)OCc1cccc(C(=O)[O-])c1)N1[C@H](C)CC[C@H]1C ZINC000736764900 600736947 /nfs/dbraw/zinc/73/69/47/600736947.db2.gz XSQXWYXRDLESRT-JHJVBQTASA-N -1 1 305.374 2.689 20 0 DFADMM C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccccc1)N1[C@H](C)CC[C@@H]1C ZINC000736764640 600736999 /nfs/dbraw/zinc/73/69/99/600736999.db2.gz VBGKIKFROVJLRD-SFDCQRBFSA-N -1 1 305.374 2.617 20 0 DFADMM C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000736761475 600757567 /nfs/dbraw/zinc/75/75/67/600757567.db2.gz JOYCCAOZPVRSCM-RYUDHWBXSA-N -1 1 305.378 2.612 20 0 DFADMM C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736763269 600757652 /nfs/dbraw/zinc/75/76/52/600757652.db2.gz VWWSVCFVQCRSQI-NXEZZACHSA-N -1 1 309.341 2.727 20 0 DFADMM CCC1CCN([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC000829125663 600793874 /nfs/dbraw/zinc/79/38/74/600793874.db2.gz PQKQVGIBXJIBNP-ZDUSSCGKSA-N -1 1 322.430 2.674 20 0 DFADMM CC1(C)CCN([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC000828068998 600795970 /nfs/dbraw/zinc/79/59/70/600795970.db2.gz ISQMFVFGHKWYDA-LBPRGKRZSA-N -1 1 322.430 2.674 20 0 DFADMM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CC1CCC1)CC2 ZINC000585090449 600816597 /nfs/dbraw/zinc/81/65/97/600816597.db2.gz OIHYPWKIUVECHK-HNNXBMFYSA-N -1 1 319.401 2.878 20 0 DFADMM C[C@H]1CCCN([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC000828265712 600820225 /nfs/dbraw/zinc/82/02/25/600820225.db2.gz HDBXWMZOOVQARW-WCQYABFASA-N -1 1 322.430 2.674 20 0 DFADMM C[C@H]1CCCN([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC000828265710 600820557 /nfs/dbraw/zinc/82/05/57/600820557.db2.gz HDBXWMZOOVQARW-AAEUAGOBSA-N -1 1 322.430 2.674 20 0 DFADMM CC(C)C[C@@H](NC(=O)CN1CCC(C2CCCC2)CC1)C(=O)[O-] ZINC000826785979 600841447 /nfs/dbraw/zinc/84/14/47/600841447.db2.gz ILZZJRJDDRSYFL-MRXNPFEDSA-N -1 1 324.465 2.504 20 0 DFADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCC[C@@H]2CCC[C@H]21 ZINC000832917334 601019784 /nfs/dbraw/zinc/01/97/84/601019784.db2.gz WSGRHVZKCNWROY-XJKSGUPXSA-N -1 1 316.401 2.896 20 0 DFADMM O=C([O-])[C@@H](c1ccccc1F)N1CCOC2(CCCCC2)C1 ZINC000833174566 601019860 /nfs/dbraw/zinc/01/98/60/601019860.db2.gz SFBOPWWMZYMIPC-OAHLLOKOSA-N -1 1 307.365 2.987 20 0 DFADMM CCCNC(=O)C1(NCc2cc(C)c(C(=O)[O-])o2)CCCCC1 ZINC000829508276 601132822 /nfs/dbraw/zinc/13/28/22/601132822.db2.gz QEYURMCUILLAEA-UHFFFAOYSA-N -1 1 322.405 2.605 20 0 DFADMM CC(C)Oc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cn1 ZINC000820173870 607491645 /nfs/dbraw/zinc/49/16/45/607491645.db2.gz MCVAFFJRTYXKFA-UHFFFAOYSA-N -1 1 316.390 2.723 20 0 DFADMM C[C@@H](CN(C)C(=O)c1cc(Cl)c2ccccc2c1O)C(=O)[O-] ZINC000827437195 601387567 /nfs/dbraw/zinc/38/75/67/601387567.db2.gz UYMZYINDKKFOJZ-VIFPVBQESA-N -1 1 321.760 2.992 20 0 DFADMM CCc1oc(C(=O)[O-])cc1CN[C@@](C)(CO)c1ccccc1 ZINC000830376516 601418515 /nfs/dbraw/zinc/41/85/15/601418515.db2.gz XALWIEJOIKRNDH-KRWDZBQOSA-N -1 1 303.358 2.538 20 0 DFADMM C[C@@H](c1ccc(OC(F)F)cc1)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000827934554 601437425 /nfs/dbraw/zinc/43/74/25/601437425.db2.gz HHHRIHZVHVKMAG-XPTSAGLGSA-N -1 1 303.280 2.848 20 0 DFADMM CC(C)CN(Cc1ccnc(-c2nnn[n-]2)c1)c1cccc(O)c1 ZINC000824262323 607509481 /nfs/dbraw/zinc/50/94/81/607509481.db2.gz ZNFBRNBQJHPFNS-UHFFFAOYSA-N -1 1 324.388 2.630 20 0 DFADMM CC(C)CN(Cc1ccnc(-c2nn[n-]n2)c1)c1cccc(O)c1 ZINC000824262323 607509483 /nfs/dbraw/zinc/50/94/83/607509483.db2.gz ZNFBRNBQJHPFNS-UHFFFAOYSA-N -1 1 324.388 2.630 20 0 DFADMM CCC1CCC(NCC(=O)N(CC(C)C)C2CC2)(C(=O)[O-])CC1 ZINC000829101517 601495770 /nfs/dbraw/zinc/49/57/70/601495770.db2.gz QKRZJUQUZHHMKI-UHFFFAOYSA-N -1 1 324.465 2.647 20 0 DFADMM C[C@@H]1CN(Cc2cc(Br)ccc2F)C[C@@H]1C(=O)[O-] ZINC000113395603 601503965 /nfs/dbraw/zinc/50/39/65/601503965.db2.gz FQCJIZZPKAGGGO-KCJUWKMLSA-N -1 1 316.170 2.741 20 0 DFADMM C[C@H]1CN(Cc2ccc(F)cc2Br)C[C@@H]1C(=O)[O-] ZINC000111254935 601529441 /nfs/dbraw/zinc/52/94/41/601529441.db2.gz IXJMMPNOPPYEJK-KWQFWETISA-N -1 1 316.170 2.741 20 0 DFADMM CC[C@@](C)(CC(=O)[O-])NCc1nc(-c2cccc(C)c2)no1 ZINC000828672409 601556333 /nfs/dbraw/zinc/55/63/33/601556333.db2.gz RFTDSBOYLRBQOF-INIZCTEOSA-N -1 1 303.362 2.778 20 0 DFADMM Cn1cc([C@H]2CCCN2Cc2ccc(C(=O)[O-])c(F)c2)cn1 ZINC000319584802 601628211 /nfs/dbraw/zinc/62/82/11/601628211.db2.gz ITGMBWYEPBPXKN-OAHLLOKOSA-N -1 1 303.337 2.595 20 0 DFADMM O=C([O-])c1sccc1CN1CCN(c2ccccc2)CC1 ZINC000110955103 601804127 /nfs/dbraw/zinc/80/41/27/601804127.db2.gz ZLUAOOOHHXUVGH-UHFFFAOYSA-N -1 1 302.399 2.769 20 0 DFADMM COc1ccc(-c2cc(CN[C@@H](C(=O)[O-])C(C)(C)C)on2)cc1 ZINC000832116116 601875942 /nfs/dbraw/zinc/87/59/42/601875942.db2.gz IYDOURXYBHEOKG-HNNXBMFYSA-N -1 1 318.373 2.939 20 0 DFADMM C[C@@H](c1ccc(F)c(F)c1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000091133089 601917275 /nfs/dbraw/zinc/91/72/75/601917275.db2.gz LLGZEYJQFFIGMM-ONGXEEELSA-N -1 1 301.358 2.918 20 0 DFADMM CSc1ccccc1NC(=O)[C@H](C)N1CC[C@](C)(C(=O)[O-])C1 ZINC000832790626 601932321 /nfs/dbraw/zinc/93/23/21/601932321.db2.gz PCRSFMLANIPAAD-ZBEGNZNMSA-N -1 1 322.430 2.532 20 0 DFADMM O=C([O-])NC[C@H]1CCN(Cc2cc3ccccc3nc2Cl)C1 ZINC000740643750 601956441 /nfs/dbraw/zinc/95/64/41/601956441.db2.gz QHEDDJFNQZYHHR-LLVKDONJSA-N -1 1 319.792 2.978 20 0 DFADMM CN(C(=O)[O-])[C@H]1CCCN(Cc2cccc(OC(F)F)c2)C1 ZINC000739581984 601965295 /nfs/dbraw/zinc/96/52/95/601965295.db2.gz AIMIFAPZDIPACH-LBPRGKRZSA-N -1 1 314.332 2.862 20 0 DFADMM 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CVBRZIGIXQVSSQ-LLVKDONJSA-N -1 1 312.354 2.773 20 0 DFADMM O=C(O[C@@H]1CCc2ccccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823396024 606177741 /nfs/dbraw/zinc/17/77/41/606177741.db2.gz CVBRZIGIXQVSSQ-LLVKDONJSA-N -1 1 312.354 2.773 20 0 DFADMM C[C@@H]1CC[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)s2)[C@@H](C)C1 ZINC000820689698 606178187 /nfs/dbraw/zinc/17/81/87/606178187.db2.gz BKGBDCFHQWGFDF-KXUCPTDWSA-N -1 1 306.391 2.910 20 0 DFADMM C[C@@H]1CC[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)s2)[C@@H](C)C1 ZINC000820689698 606178188 /nfs/dbraw/zinc/17/81/88/606178188.db2.gz BKGBDCFHQWGFDF-KXUCPTDWSA-N -1 1 306.391 2.910 20 0 DFADMM O=C(Oc1cc(Cl)ccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000823445457 606179692 /nfs/dbraw/zinc/17/96/92/606179692.db2.gz WMATTWZHRJDGSX-UHFFFAOYSA-N -1 1 324.724 2.940 20 0 DFADMM O=C(Oc1cc(Cl)ccc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000823445457 606179694 /nfs/dbraw/zinc/17/96/94/606179694.db2.gz WMATTWZHRJDGSX-UHFFFAOYSA-N -1 1 324.724 2.940 20 0 DFADMM C[C@H](CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])CC(C)(C)C ZINC000820225453 606296430 /nfs/dbraw/zinc/29/64/30/606296430.db2.gz JGDXSNBBAZAOCI-SNVBAGLBSA-N -1 1 317.393 2.973 20 0 DFADMM Cc1ccccc1[C@@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000822350962 606458758 /nfs/dbraw/zinc/45/87/58/606458758.db2.gz IJSCITDAZYUPQJ-HNNXBMFYSA-N -1 1 306.373 2.912 20 0 DFADMM Cc1ccccc1[C@@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000822350962 606458759 /nfs/dbraw/zinc/45/87/59/606458759.db2.gz IJSCITDAZYUPQJ-HNNXBMFYSA-N -1 1 306.373 2.912 20 0 DFADMM Cc1cccc2c1CCN2c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000822341099 606462451 /nfs/dbraw/zinc/46/24/51/606462451.db2.gz UQXKARVCVAYATN-UHFFFAOYSA-N -1 1 312.764 2.918 20 0 DFADMM Cc1cccc2c1CCN2c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000822341099 606462452 /nfs/dbraw/zinc/46/24/52/606462452.db2.gz UQXKARVCVAYATN-UHFFFAOYSA-N -1 1 312.764 2.918 20 0 DFADMM C[C@H]1CCC[C@H](C)N(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000820696733 606467858 /nfs/dbraw/zinc/46/78/58/606467858.db2.gz BQPDHUOXIHKLRX-UWVGGRQHSA-N -1 1 306.801 2.930 20 0 DFADMM C[C@H]1CCC[C@H](C)N(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000820696733 606467859 /nfs/dbraw/zinc/46/78/59/606467859.db2.gz BQPDHUOXIHKLRX-UWVGGRQHSA-N -1 1 306.801 2.930 20 0 DFADMM C[C@@H]1CCC[C@H](C)N(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000820696735 606467932 /nfs/dbraw/zinc/46/79/32/606467932.db2.gz BQPDHUOXIHKLRX-ZJUUUORDSA-N -1 1 306.801 2.930 20 0 DFADMM C[C@@H]1CCC[C@H](C)N(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000820696735 606467933 /nfs/dbraw/zinc/46/79/33/606467933.db2.gz BQPDHUOXIHKLRX-ZJUUUORDSA-N -1 1 306.801 2.930 20 0 DFADMM C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820697727 606503247 /nfs/dbraw/zinc/50/32/47/606503247.db2.gz LALUAZSXRBIEEC-VHSXEESVSA-N -1 1 305.407 2.579 20 0 DFADMM C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820697727 606503249 /nfs/dbraw/zinc/50/32/49/606503249.db2.gz LALUAZSXRBIEEC-VHSXEESVSA-N -1 1 305.407 2.579 20 0 DFADMM C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820698104 606504491 /nfs/dbraw/zinc/50/44/91/606504491.db2.gz PXMUNJZRLYOEQP-NXEZZACHSA-N -1 1 305.407 2.579 20 0 DFADMM C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820698104 606504493 /nfs/dbraw/zinc/50/44/93/606504493.db2.gz PXMUNJZRLYOEQP-NXEZZACHSA-N -1 1 305.407 2.579 20 0 DFADMM CCC1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000820950340 606544281 /nfs/dbraw/zinc/54/42/81/606544281.db2.gz MOIVENISJLOSAU-UHFFFAOYSA-N -1 1 305.407 2.581 20 0 DFADMM CCC1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000820950340 606544282 /nfs/dbraw/zinc/54/42/82/606544282.db2.gz MOIVENISJLOSAU-UHFFFAOYSA-N -1 1 305.407 2.581 20 0 DFADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1F ZINC000822209772 606550569 /nfs/dbraw/zinc/55/05/69/606550569.db2.gz WDXZIDBRDADJKR-UHFFFAOYSA-N -1 1 303.322 2.628 20 0 DFADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1F ZINC000822209772 606550570 /nfs/dbraw/zinc/55/05/70/606550570.db2.gz WDXZIDBRDADJKR-UHFFFAOYSA-N -1 1 303.322 2.628 20 0 DFADMM C[C@@H]1CCC[C@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820696880 606572151 /nfs/dbraw/zinc/57/21/51/606572151.db2.gz CQHCCZPBUVEHSX-ZJUUUORDSA-N -1 1 305.407 2.579 20 0 DFADMM C[C@@H]1CCC[C@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820696880 606572152 /nfs/dbraw/zinc/57/21/52/606572152.db2.gz CQHCCZPBUVEHSX-ZJUUUORDSA-N -1 1 305.407 2.579 20 0 DFADMM CC1(C)C[C@H](Nc2cccc(-c3nnn[n-]3)n2)c2ccccc2O1 ZINC000820590378 606725545 /nfs/dbraw/zinc/72/55/45/606725545.db2.gz TUQNFRANPGOUCD-ZDUSSCGKSA-N -1 1 322.372 2.976 20 0 DFADMM CC1(C)C[C@H](Nc2cccc(-c3nn[n-]n3)n2)c2ccccc2O1 ZINC000820590378 606725546 /nfs/dbraw/zinc/72/55/46/606725546.db2.gz TUQNFRANPGOUCD-ZDUSSCGKSA-N -1 1 322.372 2.976 20 0 DFADMM CC[C@@H](C)CSc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000820868923 606799393 /nfs/dbraw/zinc/79/93/93/606799393.db2.gz CGSFHFIFDCXBKK-SECBINFHSA-N -1 1 300.391 2.948 20 0 DFADMM FC1(F)CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000822736476 606881530 /nfs/dbraw/zinc/88/15/30/606881530.db2.gz FENLJLJNHULSKZ-BYPYZUCNSA-N -1 1 306.729 2.576 20 0 DFADMM FC1(F)CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000822736476 606881531 /nfs/dbraw/zinc/88/15/31/606881531.db2.gz FENLJLJNHULSKZ-BYPYZUCNSA-N -1 1 306.729 2.576 20 0 DFADMM Fc1cccc(OCCCOc2ccccc2)c1-c1nnn[n-]1 ZINC000826377752 607863940 /nfs/dbraw/zinc/86/39/40/607863940.db2.gz DWHSQCZGEUVCTA-UHFFFAOYSA-N -1 1 314.320 2.854 20 0 DFADMM Fc1cccc(OCCCOc2ccccc2)c1-c1nn[n-]n1 ZINC000826377752 607863941 /nfs/dbraw/zinc/86/39/41/607863941.db2.gz DWHSQCZGEUVCTA-UHFFFAOYSA-N -1 1 314.320 2.854 20 0 DFADMM Brc1ccc(Oc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000823832714 607894464 /nfs/dbraw/zinc/89/44/64/607894464.db2.gz UCSRLDGGHKSFPD-UHFFFAOYSA-N -1 1 318.134 2.817 20 0 DFADMM Brc1ccc(Oc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000823832714 607894465 /nfs/dbraw/zinc/89/44/65/607894465.db2.gz UCSRLDGGHKSFPD-UHFFFAOYSA-N -1 1 318.134 2.817 20 0 DFADMM CSCCc1ccc(Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826229150 607898441 /nfs/dbraw/zinc/89/84/41/607898441.db2.gz RKIYMLHPKUGLTF-UHFFFAOYSA-N -1 1 312.402 2.911 20 0 DFADMM CSCCc1ccc(Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826229150 607898442 /nfs/dbraw/zinc/89/84/42/607898442.db2.gz RKIYMLHPKUGLTF-UHFFFAOYSA-N -1 1 312.402 2.911 20 0 DFADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc2c(c1)CCCC2 ZINC000824657246 607988405 /nfs/dbraw/zinc/98/84/05/607988405.db2.gz QBOYOHYJHHZTDL-NSHDSACASA-N -1 1 321.388 2.709 20 0 DFADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc2c(c1)CCCC2 ZINC000824657246 607988406 /nfs/dbraw/zinc/98/84/06/607988406.db2.gz QBOYOHYJHHZTDL-NSHDSACASA-N -1 1 321.388 2.709 20 0 DFADMM FC1(F)CCC(Nc2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000826370559 608053269 /nfs/dbraw/zinc/05/32/69/608053269.db2.gz YLNOUQLYVZQQMI-UHFFFAOYSA-N -1 1 320.756 2.966 20 0 DFADMM FC1(F)CCC(Nc2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000826370559 608053268 /nfs/dbraw/zinc/05/32/68/608053268.db2.gz YLNOUQLYVZQQMI-UHFFFAOYSA-N -1 1 320.756 2.966 20 0 DFADMM C[C@@H]1CCC[C@H](COC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000824927286 608172272 /nfs/dbraw/zinc/17/22/72/608172272.db2.gz NQKXSVHHZNONAZ-ZJUUUORDSA-N -1 1 306.391 2.911 20 0 DFADMM C[C@@H]1CCC[C@H](COC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000824927286 608172274 /nfs/dbraw/zinc/17/22/74/608172274.db2.gz NQKXSVHHZNONAZ-ZJUUUORDSA-N -1 1 306.391 2.911 20 0 DFADMM Cc1ccc2c(c1)CCN2c1snc(Cl)c1-c1nnn[n-]1 ZINC000826294269 608295931 /nfs/dbraw/zinc/29/59/31/608295931.db2.gz NCMSPNBQZGPWFN-UHFFFAOYSA-N -1 1 318.793 2.979 20 0 DFADMM Cc1ccc2c(c1)CCN2c1snc(Cl)c1-c1nn[n-]n1 ZINC000826294269 608295934 /nfs/dbraw/zinc/29/59/34/608295934.db2.gz NCMSPNBQZGPWFN-UHFFFAOYSA-N -1 1 318.793 2.979 20 0 DFADMM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C[C@@H]1C ZINC000824962351 608302945 /nfs/dbraw/zinc/30/29/45/608302945.db2.gz TYTOONFDUPJECB-NEPJUHHUSA-N -1 1 308.389 2.897 20 0 DFADMM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C[C@@H]1C ZINC000824962351 608302947 /nfs/dbraw/zinc/30/29/47/608302947.db2.gz TYTOONFDUPJECB-NEPJUHHUSA-N -1 1 308.389 2.897 20 0 DFADMM Clc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)c(Cl)c1 ZINC000826352124 608388586 /nfs/dbraw/zinc/38/85/86/608388586.db2.gz OLKHGTNIVUANEW-UHFFFAOYSA-N -1 1 322.159 2.576 20 0 DFADMM Clc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)c(Cl)c1 ZINC000826352124 608388587 /nfs/dbraw/zinc/38/85/87/608388587.db2.gz OLKHGTNIVUANEW-UHFFFAOYSA-N -1 1 322.159 2.576 20 0 DFADMM CCc1ccc(NCc2ccnc(-c3nnn[n-]3)c2)cc1CC ZINC000825717143 608388753 /nfs/dbraw/zinc/38/87/53/608388753.db2.gz HCPPWQYAARMCOC-UHFFFAOYSA-N -1 1 308.389 2.999 20 0 DFADMM CCc1ccc(NCc2ccnc(-c3nn[n-]n3)c2)cc1CC ZINC000825717143 608388755 /nfs/dbraw/zinc/38/87/55/608388755.db2.gz HCPPWQYAARMCOC-UHFFFAOYSA-N -1 1 308.389 2.999 20 0 DFADMM C[C@H](CCC1CCCCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824400978 608419684 /nfs/dbraw/zinc/41/96/84/608419684.db2.gz NHPGOBFHNNYJLR-LLVKDONJSA-N -1 1 301.398 2.818 20 0 DFADMM C[C@H](CCC1CCCCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824400978 608419686 /nfs/dbraw/zinc/41/96/86/608419686.db2.gz NHPGOBFHNNYJLR-LLVKDONJSA-N -1 1 301.398 2.818 20 0 DFADMM CCCCc1nnc(NCc2ccc(-c3nn[n-]n3)s2)s1 ZINC000825296366 609264200 /nfs/dbraw/zinc/26/42/00/609264200.db2.gz GFAXCAKVWNXXTC-UHFFFAOYSA-N -1 1 321.435 2.734 20 0 DFADMM Cc1nn(-c2ccccc2)cc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000826333234 609320274 /nfs/dbraw/zinc/32/02/74/609320274.db2.gz ZMIYMFLLYAXALK-UHFFFAOYSA-N -1 1 321.344 2.566 20 0 DFADMM Cc1nn(-c2ccccc2)cc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000826333234 609320276 /nfs/dbraw/zinc/32/02/76/609320276.db2.gz ZMIYMFLLYAXALK-UHFFFAOYSA-N -1 1 321.344 2.566 20 0 DFADMM C[C@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)[C@H]1CCCOC1 ZINC000824651461 609564169 /nfs/dbraw/zinc/56/41/69/609564169.db2.gz ZVNQQDUYLFOVOK-RYUDHWBXSA-N -1 1 324.388 2.642 20 0 DFADMM C[C@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)[C@H]1CCCOC1 ZINC000824651461 609564172 /nfs/dbraw/zinc/56/41/72/609564172.db2.gz ZVNQQDUYLFOVOK-RYUDHWBXSA-N -1 1 324.388 2.642 20 0 DFADMM C[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)CC(C)(C)C1 ZINC000825000171 609592053 /nfs/dbraw/zinc/59/20/53/609592053.db2.gz NNXCCUOKEPYUSN-ZETCQYMHSA-N -1 1 312.830 2.849 20 0 DFADMM C[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)CC(C)(C)C1 ZINC000825000171 609592054 /nfs/dbraw/zinc/59/20/54/609592054.db2.gz NNXCCUOKEPYUSN-ZETCQYMHSA-N -1 1 312.830 2.849 20 0 DFADMM Cc1cnc(C2CCN(C(=O)c3ncccc3[O-])CC2)s1 ZINC000278272915 214061231 /nfs/dbraw/zinc/06/12/31/214061231.db2.gz WEZOLMBKDNNBEC-UHFFFAOYSA-N -1 1 303.387 2.572 20 0 DFADMM O=C(Nc1c([O-])cccc1F)c1cncc(Br)c1 ZINC000078807050 185113067 /nfs/dbraw/zinc/11/30/67/185113067.db2.gz GOBOEGWFESRKAE-UHFFFAOYSA-N -1 1 311.110 2.941 20 0 DFADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(F)nc2C)[n-]c1=O ZINC000278602954 214267998 /nfs/dbraw/zinc/26/79/98/214267998.db2.gz CYZBJVVQOXHWIO-VQHVLOKHSA-N -1 1 317.320 2.762 20 0 DFADMM Cc1ccnc(CNC(=O)c2ccc(Br)c([O-])c2)c1 ZINC000328067533 231228184 /nfs/dbraw/zinc/22/81/84/231228184.db2.gz CXZYSKKEMZRHPY-UHFFFAOYSA-N -1 1 321.174 2.788 20 0 DFADMM O=S(=O)([N-]CC1(C2CC2)CCC1)c1cc(F)ccc1F ZINC000443721058 297225207 /nfs/dbraw/zinc/22/52/07/297225207.db2.gz SBKWZUNSFCFMGS-UHFFFAOYSA-N -1 1 301.358 2.823 20 0 DFADMM COC(=O)c1ccccc1S(=O)(=O)[N-]c1cc(C)ccc1F ZINC000007428496 398362234 /nfs/dbraw/zinc/36/22/34/398362234.db2.gz XXXWWAAKSSEPMC-UHFFFAOYSA-N -1 1 323.345 2.722 20 0 DFADMM C[C@H](OC[C@H]1CCCO1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000278212821 214026858 /nfs/dbraw/zinc/02/68/58/214026858.db2.gz QHVWFAMWQCSVSO-GXSJLCMTSA-N -1 1 308.309 2.838 20 0 DFADMM COc1ccc(CNC(=O)c2cc3ccccc3cc2[O-])cn1 ZINC000011004825 398380080 /nfs/dbraw/zinc/38/00/80/398380080.db2.gz LVFJPTPMTNEZNQ-UHFFFAOYSA-N -1 1 308.337 2.879 20 0 DFADMM Cc1n[n-]c(=S)n1CCNC(=O)Nc1ccc(F)cc1C ZINC000084295055 398397488 /nfs/dbraw/zinc/39/74/88/398397488.db2.gz NYDVYATUVBANNP-UHFFFAOYSA-N -1 1 309.370 2.518 20 0 DFADMM Cc1n[n-]c(=S)n1CCNC(=O)Nc1ccc(F)c(C)c1 ZINC000084321702 398397504 /nfs/dbraw/zinc/39/75/04/398397504.db2.gz NRGUNKWBLVSINU-UHFFFAOYSA-N -1 1 309.370 2.518 20 0 DFADMM Cc1cc(Br)c([O-])c(NC(=O)C[C@@H](O)C(C)C)c1 ZINC000182909472 199508447 /nfs/dbraw/zinc/50/84/47/199508447.db2.gz BMQZNQYQSMULDR-LLVKDONJSA-N -1 1 316.195 2.809 20 0 DFADMM CC[C@@H](CSC)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000181620152 199328925 /nfs/dbraw/zinc/32/89/25/199328925.db2.gz DUUOCKSYENOLCC-ZETCQYMHSA-N -1 1 313.366 2.524 20 0 DFADMM CCSc1nnc(NC(=O)c2ccc(OC)cc2[O-])s1 ZINC000021280106 398412666 /nfs/dbraw/zinc/41/26/66/398412666.db2.gz VDCGRNLJTQPWDI-UHFFFAOYSA-N -1 1 311.388 2.617 20 0 DFADMM CCC[C@@H](C(=O)NCCc1n[n-]c(=S)n1C)c1ccccc1 ZINC000067051996 398414837 /nfs/dbraw/zinc/41/48/37/398414837.db2.gz HLQHZWMPPJISIR-CYBMUJFWSA-N -1 1 318.446 2.720 20 0 DFADMM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1csc(Br)c1 ZINC000086257352 398419947 /nfs/dbraw/zinc/41/99/47/398419947.db2.gz JZAVFFFTBWDZGY-IONNQARKSA-N -1 1 304.209 2.806 20 0 DFADMM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[N-]c1nc[nH]n1 ZINC000023140911 398422220 /nfs/dbraw/zinc/42/22/20/398422220.db2.gz FFXYVPJJOKJUMD-UHFFFAOYSA-N -1 1 321.699 2.813 20 0 DFADMM CCOC(=O)c1cnc(NC(=O)[C@@H]2CCCC[C@@H]2C2CC2)[n-]1 ZINC000592630156 398457800 /nfs/dbraw/zinc/45/78/00/398457800.db2.gz GSNAHKGRHHURSL-VXGBXAGGSA-N -1 1 305.378 2.741 20 0 DFADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H]2CCCC[C@@H]2C2CC2)n1 ZINC000592630156 398457801 /nfs/dbraw/zinc/45/78/01/398457801.db2.gz GSNAHKGRHHURSL-VXGBXAGGSA-N -1 1 305.378 2.741 20 0 DFADMM COC(=O)c1ccc(CSc2nc(C(F)F)cc(=O)[n-]2)o1 ZINC000289680287 398473945 /nfs/dbraw/zinc/47/39/45/398473945.db2.gz ZJYCMEREQAXOET-UHFFFAOYSA-N -1 1 316.285 2.792 20 0 DFADMM COc1ccc([O-])c(C(=O)c2cnn(-c3ccccc3F)c2)c1 ZINC000028753592 398476097 /nfs/dbraw/zinc/47/60/97/398476097.db2.gz VNNZLSNSRXRDBD-UHFFFAOYSA-N -1 1 312.300 2.957 20 0 DFADMM CC(C)Oc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000029388572 398484613 /nfs/dbraw/zinc/48/46/13/398484613.db2.gz ALENRLTVXWCEFK-UHFFFAOYSA-N -1 1 314.267 2.863 20 0 DFADMM COc1cc(F)c(S(=O)(=O)[N-]C2CCCCCC2)c(F)c1 ZINC000588673514 398502867 /nfs/dbraw/zinc/50/28/67/398502867.db2.gz 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/nfs/dbraw/zinc/22/19/59/426221959.db2.gz GKWSSKVMWFTKLU-UHFFFAOYSA-N -1 1 314.370 2.581 20 0 DFADMM CCOCc1ccc(CNC(=O)c2cc(F)ccc2[O-])cc1 ZINC000081938151 426226984 /nfs/dbraw/zinc/22/69/84/426226984.db2.gz DGRNTZGBBYRKCZ-UHFFFAOYSA-N -1 1 303.333 2.998 20 0 DFADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccc2c(c1)OCCO2 ZINC000081938945 426227412 /nfs/dbraw/zinc/22/74/12/426227412.db2.gz PMHHLBQDTOAVRL-SNVBAGLBSA-N -1 1 317.316 2.794 20 0 DFADMM CCO[C@@H](CC[N-]S(=O)(=O)c1cccc(F)c1F)C(C)C ZINC000173521779 426242929 /nfs/dbraw/zinc/24/29/29/426242929.db2.gz AJUHHLLVRFNQPD-LBPRGKRZSA-N -1 1 321.389 2.694 20 0 DFADMM CCC[C@H](NC(=O)[C@@H](C)CCc1ccccc1F)c1nn[n-]n1 ZINC000136662935 426243906 /nfs/dbraw/zinc/24/39/06/426243906.db2.gz RICBCZRYCYJVRS-FZMZJTMJSA-N -1 1 319.384 2.565 20 0 DFADMM CCC[C@@H](NC(=O)C[C@H](C)Cc1cccc(F)c1)c1nn[n-]n1 ZINC000136692571 426245178 /nfs/dbraw/zinc/24/51/78/426245178.db2.gz TUCYZOTWEIIASJ-BXUZGUMPSA-N -1 1 319.384 2.565 20 0 DFADMM CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000137057360 426250325 /nfs/dbraw/zinc/25/03/25/426250325.db2.gz YQPUONIMDAQQKD-LLVKDONJSA-N -1 1 323.364 2.725 20 0 DFADMM CSc1ccccc1NC(=O)NCc1n[n-]c(=S)n1C ZINC000085547575 426252424 /nfs/dbraw/zinc/25/24/24/426252424.db2.gz QNLAVIGDDKYZEX-UHFFFAOYSA-N -1 1 309.420 2.521 20 0 DFADMM C[C@@H](c1ccc(Cl)cc1Cl)S(=O)(=O)c1ncn[n-]1 ZINC000086169544 426255598 /nfs/dbraw/zinc/25/55/98/426255598.db2.gz RYOMEMSLXPZPEI-LURJTMIESA-N -1 1 306.174 2.646 20 0 DFADMM C[C@@H](c1ccc(Cl)cc1Cl)S(=O)(=O)c1nc[n-]n1 ZINC000086169544 426255601 /nfs/dbraw/zinc/25/56/01/426255601.db2.gz RYOMEMSLXPZPEI-LURJTMIESA-N -1 1 306.174 2.646 20 0 DFADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC000174646452 426261452 /nfs/dbraw/zinc/26/14/52/426261452.db2.gz UZOSODJTMBNEFY-UHFFFAOYSA-N -1 1 309.318 2.664 20 0 DFADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1C[C@@]12CCc1ccccc12 ZINC000175226317 426289369 /nfs/dbraw/zinc/28/93/69/426289369.db2.gz HKKCMKUVGZEIGD-QMTHXVAHSA-N -1 1 322.290 2.666 20 0 DFADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H]2C[C@H]2c2ccccc2C)n1 ZINC000339391628 268804528 /nfs/dbraw/zinc/80/45/28/268804528.db2.gz JLWVDYZMAYJLRX-QWHCGFSZSA-N -1 1 313.357 2.637 20 0 DFADMM CC(C)CSCC[N-]S(=O)(=O)c1cccc(F)c1F ZINC000339454304 268818630 /nfs/dbraw/zinc/81/86/30/268818630.db2.gz JBQYAPGVFSIOCH-UHFFFAOYSA-N -1 1 309.403 2.632 20 0 DFADMM CCOC(=O)NCCCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000151751411 426310750 /nfs/dbraw/zinc/31/07/50/426310750.db2.gz KPMOQPOSIDZJHC-UHFFFAOYSA-N -1 1 300.742 2.510 20 0 DFADMM C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000121216275 426325716 /nfs/dbraw/zinc/32/57/16/426325716.db2.gz YLWAGZVCCHIVPQ-DYVFJYSZSA-N -1 1 312.413 2.958 20 0 DFADMM Cc1ccccc1CCC(=O)Nc1cc(-c2nccn2C)n[nH]1 ZINC000119300423 426276566 /nfs/dbraw/zinc/27/65/66/426276566.db2.gz OCFDLIVWCWLBFI-UHFFFAOYSA-N -1 1 309.373 2.690 20 0 DFADMM CC(C)C[C@@H]1CCCN(C(=O)c2c[n-]c3c(cnn3C)c2=O)C1 ZINC000119346091 426280522 /nfs/dbraw/zinc/28/05/22/426280522.db2.gz JWRYZQMHIJMCLF-LBPRGKRZSA-N -1 1 316.405 2.572 20 0 DFADMM CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1ncccc1[O-] ZINC000153742788 426403413 /nfs/dbraw/zinc/40/34/13/426403413.db2.gz BJUQJYTYPODSOI-OAHLLOKOSA-N -1 1 312.369 2.780 20 0 DFADMM CCc1ccc([C@@H](COC)NC(=O)c2cc(F)ccc2[O-])o1 ZINC000091745100 426342787 /nfs/dbraw/zinc/34/27/87/426342787.db2.gz LRCDHKNIBNKUER-CYBMUJFWSA-N -1 1 307.321 2.804 20 0 DFADMM COC(=O)C[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccccc1 ZINC000093908507 426359687 /nfs/dbraw/zinc/35/96/87/426359687.db2.gz AEBPISHPSPBYHR-AWEZNQCLSA-N -1 1 317.316 2.566 20 0 DFADMM O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1cc(F)ccc1[O-] ZINC000094125804 426361486 /nfs/dbraw/zinc/36/14/86/426361486.db2.gz MKCYGAFMSFXTBF-UHFFFAOYSA-N -1 1 315.304 2.527 20 0 DFADMM O=C(c1cncc([O-])c1)N1CCC(OCC2CCCC2)CC1 ZINC000176442519 426382223 /nfs/dbraw/zinc/38/22/23/426382223.db2.gz RUXWUPBKSFPRDO-UHFFFAOYSA-N -1 1 304.390 2.599 20 0 DFADMM O=C(c1ncccc1[O-])N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000153458625 426385858 /nfs/dbraw/zinc/38/58/58/426385858.db2.gz QSDAHCCUFGZVDJ-ZDUSSCGKSA-N -1 1 318.760 2.734 20 0 DFADMM CCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nn[n-]n1 ZINC000176772225 426412439 /nfs/dbraw/zinc/41/24/39/426412439.db2.gz ISCOMGFQAKAYEZ-SNVBAGLBSA-N -1 1 314.176 2.778 20 0 DFADMM CCC[C@@H](NC(=O)C[C@@H](C)c1ccccc1C)c1nn[n-]n1 ZINC000176768276 426412567 /nfs/dbraw/zinc/41/25/67/426412567.db2.gz CWCHWQBGGUABHW-TZMCWYRMSA-N -1 1 301.394 2.659 20 0 DFADMM CCC[C@@H](NC(=O)CCCCc1ccc(C)cc1)c1nn[n-]n1 ZINC000176774998 426413921 /nfs/dbraw/zinc/41/39/21/426413921.db2.gz ABCLEKVWVHLQCS-OAHLLOKOSA-N -1 1 315.421 2.879 20 0 DFADMM CCC[C@H](NC(=O)C[C@H](CC)c1ccccc1)c1nn[n-]n1 ZINC000176792693 426414859 /nfs/dbraw/zinc/41/48/59/426414859.db2.gz GBUDYCNDTKNWSP-JSGCOSHPSA-N -1 1 301.394 2.741 20 0 DFADMM Cc1ccncc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000154045815 426421686 /nfs/dbraw/zinc/42/16/86/426421686.db2.gz FQBIWCNXMDZBSI-LLVKDONJSA-N -1 1 304.371 2.514 20 0 DFADMM C/C=C\c1ccc([N-]S(=O)(=O)c2ccc(OC)nc2)cc1 ZINC000341066566 269037806 /nfs/dbraw/zinc/03/78/06/269037806.db2.gz PZMHEKSHZDBEEV-ARJAWSKDSA-N -1 1 304.371 2.924 20 0 DFADMM CC[C@@H](CC(=O)N(C)C[C@H](C)c1nn[n-]n1)c1ccc(C)cc1 ZINC000124228290 426475957 /nfs/dbraw/zinc/47/59/57/426475957.db2.gz ROFSVONUWTWCBE-KBPBESRZSA-N -1 1 315.421 2.654 20 0 DFADMM O=S(=O)([N-]c1cccc(Cl)c1OCC(F)F)C1CC1 ZINC000288122787 426510545 /nfs/dbraw/zinc/51/05/45/426510545.db2.gz DBAFZRJATDJRRI-UHFFFAOYSA-N -1 1 311.737 2.888 20 0 DFADMM CCN(Cc1cnn(C)c1)C(=O)c1ccc2ccccc2c1[O-] ZINC000195323208 426515828 /nfs/dbraw/zinc/51/58/28/426515828.db2.gz AENHPMCDGFBWNZ-UHFFFAOYSA-N -1 1 309.369 2.941 20 0 DFADMM CC(C)c1ncc([N-]S(=O)(=O)Cc2ccccc2F)cn1 ZINC000280289474 426542456 /nfs/dbraw/zinc/54/24/56/426542456.db2.gz MPNIHMATEYSACV-UHFFFAOYSA-N -1 1 309.366 2.681 20 0 DFADMM C[C@@H](OCCCNC(=O)c1ncccc1[O-])c1ccccc1 ZINC000194656203 426490196 /nfs/dbraw/zinc/49/01/96/426490196.db2.gz VDMVEXWQRKYCAX-CYBMUJFWSA-N -1 1 300.358 2.685 20 0 DFADMM COC(=O)[C@H]1CC[C@@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000289061536 426575522 /nfs/dbraw/zinc/57/55/22/426575522.db2.gz LPSLEXRAGGNYCO-IUCAKERBSA-N -1 1 308.721 2.762 20 0 DFADMM COC(=O)Cc1cccc([N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000178141252 426576334 /nfs/dbraw/zinc/57/63/34/426576334.db2.gz UOPNFSVMCHZXFH-UHFFFAOYSA-N -1 1 319.382 2.511 20 0 DFADMM CCOc1cc(C(=O)NCc2c(C)noc2C)cc(Cl)c1[O-] ZINC000186698104 426580967 /nfs/dbraw/zinc/58/09/67/426580967.db2.gz FHMFVLWUSSCUEO-UHFFFAOYSA-N -1 1 324.764 2.979 20 0 DFADMM Cc1ccc2nc(CNC(=O)c3cc(F)c([O-])c(F)c3)[nH]c2c1 ZINC000186844239 426597925 /nfs/dbraw/zinc/59/79/25/426597925.db2.gz YHGWNUPKIWONIJ-UHFFFAOYSA-N -1 1 317.295 2.785 20 0 DFADMM O=c1nc([C@H]2CCCCN2CCSc2ccccc2F)[nH][n-]1 ZINC000289368334 426638590 /nfs/dbraw/zinc/63/85/90/426638590.db2.gz OVPKIAXCCDTZHX-GFCCVEGCSA-N -1 1 322.409 2.556 20 0 DFADMM O=c1nc([C@@H]2CCCCN2Cc2ccc(F)cc2Cl)[nH][n-]1 ZINC000289405809 426649338 /nfs/dbraw/zinc/64/93/38/426649338.db2.gz SLQNVBSKZORFLE-LBPRGKRZSA-N -1 1 310.760 2.618 20 0 DFADMM C[C@@H](CNC(=O)c1c(F)ccc([O-])c1F)[NH+]1CCC(C)CC1 ZINC000280759444 426650384 /nfs/dbraw/zinc/65/03/84/426650384.db2.gz LINARRFQGRZRTH-NSHDSACASA-N -1 1 312.360 2.521 20 0 DFADMM O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cncc([O-])c1 ZINC000273406115 426657937 /nfs/dbraw/zinc/65/79/37/426657937.db2.gz BDKVFGXRJDJCSY-GOEBONIOSA-N -1 1 316.332 2.576 20 0 DFADMM COC(=O)c1c[n-]c(SCc2cc(-c3ccco3)on2)n1 ZINC000187594049 426675286 /nfs/dbraw/zinc/67/52/86/426675286.db2.gz YEQLONOUOSYXEV-UHFFFAOYSA-N -1 1 305.315 2.737 20 0 DFADMM CCS[C@@H]1CCCC[C@H]1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000280890671 426677740 /nfs/dbraw/zinc/67/77/40/426677740.db2.gz GQQCDUYFSYDFMU-ZIAGYGMSSA-N -1 1 307.415 2.755 20 0 DFADMM CCS[C@@H]1CCCC[C@@H]1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000280888838 426678870 /nfs/dbraw/zinc/67/88/70/426678870.db2.gz GQQCDUYFSYDFMU-UONOGXRCSA-N -1 1 307.415 2.755 20 0 DFADMM CCCc1nc(-c2nc3cc(C(=O)OC)ccc3c(=O)[n-]2)co1 ZINC000280909367 426683578 /nfs/dbraw/zinc/68/35/78/426683578.db2.gz FNWIBGGYOLCSFO-UHFFFAOYSA-N -1 1 313.313 2.730 20 0 DFADMM CCCCCNC(=O)[C@H](C)Sc1nc(C(F)F)cc(=O)[n-]1 ZINC000289297313 426623384 /nfs/dbraw/zinc/62/33/84/426623384.db2.gz AVLTUBQMFZYPAQ-QMMMGPOBSA-N -1 1 319.377 2.907 20 0 DFADMM CCCCCNC(=O)[C@@H](C)Sc1nc(C(F)F)cc(=O)[n-]1 ZINC000289297311 426624123 /nfs/dbraw/zinc/62/41/23/426624123.db2.gz AVLTUBQMFZYPAQ-MRVPVSSYSA-N -1 1 319.377 2.907 20 0 DFADMM CC[C@@H](C)NC(=O)[C@H](C)Sc1nc(C(F)F)cc(=O)[n-]1 ZINC000289310711 426624909 /nfs/dbraw/zinc/62/49/09/426624909.db2.gz CRAWOJGHDCDPBQ-RQJHMYQMSA-N -1 1 305.350 2.515 20 0 DFADMM O=C([O-])[C@@H]1CCN(Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000178894174 426713907 /nfs/dbraw/zinc/71/39/07/426713907.db2.gz LKVGBPWTFMETBJ-SNVBAGLBSA-N -1 1 308.284 2.526 20 0 DFADMM CC(C)c1ccc(-c2noc(CN3CC[C@@H](C(=O)[O-])C3)n2)cc1 ZINC000178905858 426718148 /nfs/dbraw/zinc/71/81/48/426718148.db2.gz USHFNTDDESXIND-CQSZACIVSA-N -1 1 315.373 2.767 20 0 DFADMM O=C([O-])[C@H]1CCN(Cc2ncc(-c3ccccc3Cl)o2)C1 ZINC000178904719 426718463 /nfs/dbraw/zinc/71/84/63/426718463.db2.gz CMLFKLTZGTUFNT-JTQLQIEISA-N -1 1 306.749 2.902 20 0 DFADMM CCc1cc(=O)[n-]c(SCc2noc(-c3ccsc3)n2)n1 ZINC000188089276 426721501 /nfs/dbraw/zinc/72/15/01/426721501.db2.gz VDGLTMNGPMOOLE-UHFFFAOYSA-N -1 1 320.399 2.736 20 0 DFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)C1CCCC1 ZINC000179222126 426771733 /nfs/dbraw/zinc/77/17/33/426771733.db2.gz GLSDUYPDYRFAAJ-JTQLQIEISA-N -1 1 305.422 2.684 20 0 DFADMM COc1cccc(C(C)(C)CNC(=O)c2cncc([O-])c2)c1 ZINC000179011121 426735079 /nfs/dbraw/zinc/73/50/79/426735079.db2.gz SCKYCAROGKINHR-UHFFFAOYSA-N -1 1 300.358 2.503 20 0 DFADMM O=C(Nc1nc(Cl)ccc1[O-])C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000188377384 426746255 /nfs/dbraw/zinc/74/62/55/426746255.db2.gz ONCGOFMLKOFEHH-ULKQDVFKSA-N -1 1 308.765 2.775 20 0 DFADMM CCOC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(C)C ZINC000188380622 426746856 /nfs/dbraw/zinc/74/68/56/426746856.db2.gz NRQKKAIUMMOPGA-GFCCVEGCSA-N -1 1 323.817 2.819 20 0 DFADMM O=C([N-]CC1CCN(c2ncccc2Cl)CC1)C(F)(F)F ZINC000281739037 426756322 /nfs/dbraw/zinc/75/63/22/426756322.db2.gz FAAIADHZDZRUDZ-UHFFFAOYSA-N -1 1 321.730 2.630 20 0 DFADMM O=C(NC1CCSCC1)c1ccc(Br)c([O-])c1 ZINC000179147448 426758234 /nfs/dbraw/zinc/75/82/34/426758234.db2.gz YQZZZWMARPFLKU-UHFFFAOYSA-N -1 1 316.220 2.780 20 0 DFADMM Cc1ccc(O)c(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1 ZINC000179607617 426805078 /nfs/dbraw/zinc/80/50/78/426805078.db2.gz OEWPHZDFIIHBCJ-UHFFFAOYSA-N -1 1 315.373 2.642 20 0 DFADMM COCC[C@@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccco1 ZINC000290625040 426806538 /nfs/dbraw/zinc/80/65/38/426806538.db2.gz XNNHLWOSJDLBOS-SNVBAGLBSA-N -1 1 311.284 2.771 20 0 DFADMM COCCS(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1F ZINC000282005647 426810916 /nfs/dbraw/zinc/81/09/16/426810916.db2.gz NYSUAOIXTYPWPN-UHFFFAOYSA-N -1 1 302.154 2.521 20 0 DFADMM CC(C)[C@@H]1CCCN(C(=O)c2c[n-]c3c(cnn3C)c2=O)CC1 ZINC000179715252 426814587 /nfs/dbraw/zinc/81/45/87/426814587.db2.gz HUNDSNOUFIZMDV-GFCCVEGCSA-N -1 1 316.405 2.572 20 0 DFADMM CO[C@H](C)c1nc(CNC(=O)c2c([O-])cccc2F)cs1 ZINC000274690820 426818874 /nfs/dbraw/zinc/81/88/74/426818874.db2.gz JRNKKSWWNSQXRA-MRVPVSSYSA-N -1 1 310.350 2.625 20 0 DFADMM COCc1cccc(S(=O)(=O)[N-]c2ncccc2Cl)c1 ZINC000180195803 426843429 /nfs/dbraw/zinc/84/34/29/426843429.db2.gz BSSDPEPIJBGPOK-UHFFFAOYSA-N -1 1 312.778 2.682 20 0 DFADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ncccc2Cl)c1 ZINC000180194316 426843991 /nfs/dbraw/zinc/84/39/91/426843991.db2.gz FGWABWDRPGLJNA-UHFFFAOYSA-N -1 1 300.742 2.983 20 0 DFADMM NC(=O)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC000180355546 426854855 /nfs/dbraw/zinc/85/48/55/426854855.db2.gz FMXCDFZREWKEDS-UHFFFAOYSA-N -1 1 324.258 2.762 20 0 DFADMM CC[C@H](C)[C@@H](C)N(C(=O)c1c[n-]c2c(cnn2C)c1=O)C1CC1 ZINC000179482760 426792807 /nfs/dbraw/zinc/79/28/07/426792807.db2.gz PQDGCEWUQHOQBL-WDEREUQCSA-N -1 1 316.405 2.713 20 0 DFADMM CSc1nc(C)c(CCC(=O)N2C[C@H](C)CC2(C)C)c(=O)[n-]1 ZINC000266919849 426796483 /nfs/dbraw/zinc/79/64/83/426796483.db2.gz ONPQONQNDZNNJH-SNVBAGLBSA-N -1 1 323.462 2.792 20 0 DFADMM O=C(Nc1cccc(N2CCOC2=O)c1)c1ccc([O-])cc1F ZINC000181117892 426915788 /nfs/dbraw/zinc/91/57/88/426915788.db2.gz VMLUSRYFEUNDJC-UHFFFAOYSA-N -1 1 316.288 2.740 20 0 DFADMM COC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2)cc1F ZINC000181205847 426923874 /nfs/dbraw/zinc/92/38/74/426923874.db2.gz XZGWIZGNALREST-UHFFFAOYSA-N -1 1 324.333 2.805 20 0 DFADMM C[C@@H]1CSCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180576018 426871445 /nfs/dbraw/zinc/87/14/45/426871445.db2.gz WMQNPKYPNPKKEW-MRVPVSSYSA-N -1 1 305.321 2.989 20 0 DFADMM CCN(Cc1cccc([O-])c1Cl)[C@@H](C)CS(=O)(=O)CC ZINC000295259992 426880354 /nfs/dbraw/zinc/88/03/54/426880354.db2.gz GUFQUGHCXDAVNR-NSHDSACASA-N -1 1 319.854 2.691 20 0 DFADMM O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2cccc(O)c2Cl)C1 ZINC000295314933 426904920 /nfs/dbraw/zinc/90/49/20/426904920.db2.gz KYNHGCOODUWSJH-AWEZNQCLSA-N 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428194865 /nfs/dbraw/zinc/19/48/65/428194865.db2.gz HMBMQLPNQKZGQZ-UHFFFAOYSA-N -1 1 320.761 3.407 20 0 DFADMM CCc1cccc(N(C)S(=O)(=O)c2cc(OC)ccc2[O-])c1 ZINC000414384617 428282193 /nfs/dbraw/zinc/28/21/93/428282193.db2.gz CPWKBRSHZBNSJP-UHFFFAOYSA-N -1 1 321.398 2.788 20 0 DFADMM Cc1ccc(S(=O)(=O)[N-][C@H](C)C(F)(F)F)c(Cl)c1 ZINC000341896637 428243977 /nfs/dbraw/zinc/24/39/77/428243977.db2.gz IWFUDNPPBGZPAQ-SSDOTTSWSA-N -1 1 301.717 2.878 20 0 DFADMM O=C(c1c(F)ccc([O-])c1F)N1CCC([C@@H]2CCOC2)CC1 ZINC000377882670 428252473 /nfs/dbraw/zinc/25/24/73/428252473.db2.gz GKXOHIWHHUKJIK-LLVKDONJSA-N -1 1 311.328 2.559 20 0 DFADMM C[C@@H](CCOCc1ccccc1)NC(=O)c1ncccc1[O-] ZINC000360576683 428355525 /nfs/dbraw/zinc/35/55/25/428355525.db2.gz QWWIPCDOEODHHG-ZDUSSCGKSA-N -1 1 300.358 2.512 20 0 DFADMM CCCN1CCN(Cc2cccc([O-])c2Cl)C(C)(C)C1=O ZINC000352989793 428338509 /nfs/dbraw/zinc/33/85/09/428338509.db2.gz SOBUDHCVJBLJOB-UHFFFAOYSA-N -1 1 310.825 2.878 20 0 DFADMM 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324.377 2.955 20 0 DFADMM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)c(C)o1 ZINC000345090236 428748672 /nfs/dbraw/zinc/74/86/72/428748672.db2.gz JKKWTUZYQCNKHO-UHFFFAOYSA-N -1 1 313.306 2.535 20 0 DFADMM CCC[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000362971470 428829857 /nfs/dbraw/zinc/82/98/57/428829857.db2.gz CMXAUDDYZIZEQO-KOLCDFICSA-N -1 1 314.382 2.572 20 0 DFADMM Cc1ccc2c(CN(C)CC(=O)NC(C)(C)C)ccc(O)c2n1 ZINC000354100806 428862623 /nfs/dbraw/zinc/86/26/23/428862623.db2.gz PJQXDWJSWFMQCT-UHFFFAOYSA-N -1 1 315.417 2.595 20 0 DFADMM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCN2CCC1CC2 ZINC000375501512 428900423 /nfs/dbraw/zinc/90/04/23/428900423.db2.gz MRLWHLSLEZYOJF-UHFFFAOYSA-N -1 1 315.200 2.619 20 0 DFADMM CN(C)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000345514323 428916397 /nfs/dbraw/zinc/91/63/97/428916397.db2.gz AKLDDUFHBWOTMF-UHFFFAOYSA-N -1 1 318.398 2.584 20 0 DFADMM O=C(c1ccc(Cl)cc1[O-])N1CCC([C@@H]2CCOC2)CC1 ZINC000363754918 428984436 /nfs/dbraw/zinc/98/44/36/428984436.db2.gz 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CSc1nc(=O)[n-]c(C)c1C(=O)N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000364671770 429245505 /nfs/dbraw/zinc/24/55/05/429245505.db2.gz ASMNBAUVALZAJQ-HWPZZCPQSA-N -1 1 321.446 2.865 20 0 DFADMM Cc1cc(Cl)cc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c1 ZINC000425294184 429258691 /nfs/dbraw/zinc/25/86/91/429258691.db2.gz CXBJJHHOFMPERB-JTQLQIEISA-N -1 1 321.764 2.757 20 0 DFADMM CCC[C@@H](CC(C)C)C(=O)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000425320966 429263447 /nfs/dbraw/zinc/26/34/47/429263447.db2.gz MCYCSQJIWVTLLP-ZDUSSCGKSA-N -1 1 309.410 2.944 20 0 DFADMM CCC[C@@H](CC(C)C)C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425320966 429263449 /nfs/dbraw/zinc/26/34/49/429263449.db2.gz MCYCSQJIWVTLLP-ZDUSSCGKSA-N -1 1 309.410 2.944 20 0 DFADMM CCC[C@@H](NC(=O)C1CCC(C(F)(F)F)CC1)c1nn[n-]n1 ZINC000444272202 429266919 /nfs/dbraw/zinc/26/69/19/429266919.db2.gz WNQMJQRYNRRJLO-UDNWOFFPSA-N -1 1 319.331 2.526 20 0 DFADMM CNC(=O)Oc1cccc([N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000497227770 429320589 /nfs/dbraw/zinc/32/05/89/429320589.db2.gz PCGATYUGTCIPRX-UHFFFAOYSA-N -1 1 320.370 2.514 20 0 DFADMM CC[C@H](O)[C@H](CC)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000456745219 429344375 /nfs/dbraw/zinc/34/43/75/429344375.db2.gz WPEDMWJTHMAGQW-QWRGUYRKSA-N -1 1 305.296 2.690 20 0 DFADMM C[C@@H]1CC[S@](=O)CCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000365332836 429302938 /nfs/dbraw/zinc/30/29/38/429302938.db2.gz IZCIRJMGVGGPSF-IPQOISQHSA-N -1 1 317.410 2.529 20 0 DFADMM CC(=O)c1ccc(C(=O)[N-]c2cc(-c3ccccc3F)on2)o1 ZINC000448490835 429312770 /nfs/dbraw/zinc/31/27/70/429312770.db2.gz QMUSFSRIJXWPNO-UHFFFAOYSA-N -1 1 314.272 3.529 20 0 DFADMM O=C([N-]c1cc(-c2cccc(Cl)c2)on1)c1cnsn1 ZINC000366000027 429409345 /nfs/dbraw/zinc/40/93/45/429409345.db2.gz JYVDRPMNZOYKBT-UHFFFAOYSA-N -1 1 306.734 3.099 20 0 DFADMM Cc1cnc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)o1 ZINC000365642610 429355853 /nfs/dbraw/zinc/35/58/53/429355853.db2.gz MQQIJERCBLHKCI-UHFFFAOYSA-N -1 1 300.358 2.784 20 0 DFADMM Cn1ncc2c1[n-]cc(C(=O)N1CC[C@H](CC(C)(C)C)C1)c2=O ZINC000457041762 429382166 /nfs/dbraw/zinc/38/21/66/429382166.db2.gz GBAVKGAXZVUFFJ-LLVKDONJSA-N -1 1 316.405 2.572 20 0 DFADMM CCC(C)(C)OCCNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000457334184 429446291 /nfs/dbraw/zinc/44/62/91/429446291.db2.gz WLVFDMXZXKFMQO-UHFFFAOYSA-N -1 1 315.797 2.989 20 0 DFADMM COc1cccc([S@@](=O)C=C([O-])c2cc(C)n(C)c2C)c1 ZINC000519394411 429455898 /nfs/dbraw/zinc/45/58/98/429455898.db2.gz HTTAIMURSKMIDH-NRFANRHFSA-N -1 1 305.399 2.641 20 0 DFADMM COc1ccc([S@@](=O)C=C([O-])c2cc(C)n(C)c2C)cc1 ZINC000519392467 429456452 /nfs/dbraw/zinc/45/64/52/429456452.db2.gz QDMYXEVVIASOGR-NRFANRHFSA-N -1 1 305.399 2.641 20 0 DFADMM Cc1ccc2nc([N-]S(=O)(=O)c3cccc(F)c3F)[nH]c2c1 ZINC000427661068 429463430 /nfs/dbraw/zinc/46/34/30/429463430.db2.gz WWQRQTLJPZGADB-UHFFFAOYSA-N -1 1 323.324 2.950 20 0 DFADMM COc1cccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)n1 ZINC000426731060 429411515 /nfs/dbraw/zinc/41/15/15/429411515.db2.gz NKSLETYZUBYFBT-CQSZACIVSA-N -1 1 324.739 2.798 20 0 DFADMM 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/nfs/dbraw/zinc/50/04/03/545500403.db2.gz MLWGJTFVHFLNPF-GXTWGEPZSA-N -1 1 315.421 2.868 20 0 DFADMM Cc1cnc(C(=O)NC2(c3nccs3)CCCC2)c([O-])c1 ZINC000680845560 545550925 /nfs/dbraw/zinc/55/09/25/545550925.db2.gz BVLCEQBPZOYNQD-UHFFFAOYSA-N -1 1 303.387 2.751 20 0 DFADMM CCn1cc(S(=O)(=O)[N-]c2c(C)cc(C)cc2Cl)cn1 ZINC000680856167 545553261 /nfs/dbraw/zinc/55/32/61/545553261.db2.gz XUWAYMFLXULFHC-UHFFFAOYSA-N -1 1 313.810 2.974 20 0 DFADMM O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1ccc([O-])c(F)c1 ZINC000681018157 545583107 /nfs/dbraw/zinc/58/31/07/545583107.db2.gz SGNZVZPAPRQBKF-ZDUSSCGKSA-N -1 1 314.360 2.788 20 0 DFADMM CCOc1ccc(CNC(=O)c2ccc([O-])c(F)c2)cc1OC ZINC000681017629 545583165 /nfs/dbraw/zinc/58/31/65/545583165.db2.gz JAPMAXPNBCHSMU-UHFFFAOYSA-N -1 1 319.332 2.869 20 0 DFADMM CN(CCCNC(=O)c1ccc([O-])c(F)c1)c1ccccc1F ZINC000681022275 545583821 /nfs/dbraw/zinc/58/38/21/545583821.db2.gz ZQBQPJPQLWRDCT-UHFFFAOYSA-N -1 1 320.339 2.927 20 0 DFADMM O=C(Nc1nnc(CC(F)(F)F)s1)c1ccc([O-])c(F)c1 ZINC000681057492 545590625 /nfs/dbraw/zinc/59/06/25/545590625.db2.gz TXHXBKWNCHSOAT-UHFFFAOYSA-N -1 1 321.255 2.740 20 0 DFADMM COCCN(Cc1ccc(C)o1)C(=O)c1ccc([O-])c(F)c1 ZINC000681056325 545590639 /nfs/dbraw/zinc/59/06/39/545590639.db2.gz ZQGHJUMFPACQFH-UHFFFAOYSA-N -1 1 307.321 2.722 20 0 DFADMM O=C(c1ccc([O-])c(F)c1)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000681039625 545586965 /nfs/dbraw/zinc/58/69/65/545586965.db2.gz NLSHKQZSDUWFPT-MRXNPFEDSA-N -1 1 319.307 2.884 20 0 DFADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@H](Nc2ccccc2)C1 ZINC000681040572 545587137 /nfs/dbraw/zinc/58/71/37/545587137.db2.gz AKVZTTKVLLHRQW-AWEZNQCLSA-N -1 1 300.333 2.858 20 0 DFADMM COc1cccc2c1OCC[C@@H]2NC(=O)c1ccc([O-])c(F)c1 ZINC000681040063 545587257 /nfs/dbraw/zinc/58/72/57/545587257.db2.gz UWWCBCDTYUTBEU-ZDUSSCGKSA-N -1 1 317.316 2.794 20 0 DFADMM O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc([O-])c(F)c1 ZINC000681046267 545587875 /nfs/dbraw/zinc/58/78/75/545587875.db2.gz FOBWAQJDSJLPGI-AWEZNQCLSA-N -1 1 314.360 2.930 20 0 DFADMM O=C(NC[C@H]1OCCc2ccccc21)c1ccc([O-])c(F)c1 ZINC000681046001 545587911 /nfs/dbraw/zinc/58/79/11/545587911.db2.gz BLNKRMJWTXVKOW-MRXNPFEDSA-N -1 1 301.317 2.575 20 0 DFADMM O=C(NC[C@@H]1CCOc2ccccc21)c1ccc([O-])c(F)c1 ZINC000681044798 545588058 /nfs/dbraw/zinc/58/80/58/545588058.db2.gz OGZSUBVFNRJCLM-LBPRGKRZSA-N -1 1 301.317 2.827 20 0 DFADMM C[C@H](COCc1ccccc1)NC(=O)c1ccc([O-])c(F)c1 ZINC000681049332 545588766 /nfs/dbraw/zinc/58/87/66/545588766.db2.gz ABWYTVCHPGYWIP-GFCCVEGCSA-N -1 1 303.333 2.866 20 0 DFADMM COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000681049720 545588926 /nfs/dbraw/zinc/58/89/26/545588926.db2.gz QZGCTHXZPFEOFM-FUHWJXTLSA-N -1 1 315.344 3.000 20 0 DFADMM C[C@@H](CNC(=O)c1ccc([O-])c(F)c1)Oc1cccc(F)c1 ZINC000681049556 545589038 /nfs/dbraw/zinc/58/90/38/545589038.db2.gz CWLSKJORTVCULT-JTQLQIEISA-N -1 1 307.296 2.868 20 0 DFADMM O=C(c1ccc([O-])c(F)c1)N1CCO[C@H](c2ccsc2)C1 ZINC000681055391 545589417 /nfs/dbraw/zinc/58/94/17/545589417.db2.gz HSYPZSOIZRHETC-AWEZNQCLSA-N -1 1 307.346 2.807 20 0 DFADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@@H]1[C@@H]1CCCCC1=O ZINC000681054380 545590062 /nfs/dbraw/zinc/59/00/62/545590062.db2.gz REABPKQLQYFQCH-GXTWGEPZSA-N -1 1 305.349 2.895 20 0 DFADMM COc1cccc2c1OCC[C@H]2NC(=O)c1c([O-])cccc1F ZINC000681228999 545614148 /nfs/dbraw/zinc/61/41/48/545614148.db2.gz PTJTZCVBHCTPRL-GFCCVEGCSA-N -1 1 317.316 2.794 20 0 DFADMM CCn1ncc2c1CCC[C@@H]2NC(=O)c1c([O-])cccc1F ZINC000681303702 545626138 /nfs/dbraw/zinc/62/61/38/545626138.db2.gz XKGJCQXBGFUOCK-LBPRGKRZSA-N -1 1 303.337 2.555 20 0 DFADMM CCn1ncc2c1CCC[C@H]2NC(=O)c1c([O-])cccc1F ZINC000681303701 545626183 /nfs/dbraw/zinc/62/61/83/545626183.db2.gz XKGJCQXBGFUOCK-GFCCVEGCSA-N -1 1 303.337 2.555 20 0 DFADMM Cc1cnc(C(=O)N[C@H]2COc3c2cccc3Cl)c([O-])c1 ZINC000681737133 545709621 /nfs/dbraw/zinc/70/96/21/545709621.db2.gz ZGISIKKUCDVDIS-NSHDSACASA-N -1 1 304.733 2.613 20 0 DFADMM CO[C@H](CNC(=O)c1ncc(C)cc1[O-])c1ccccc1Cl ZINC000681739204 545711115 /nfs/dbraw/zinc/71/11/15/545711115.db2.gz JEJFMOJORNCNBC-CQSZACIVSA-N -1 1 320.776 2.867 20 0 DFADMM COc1ccc2c(c1)CCN(C(=O)c1ccc([O-])c(F)c1)CC2 ZINC000682268618 545825605 /nfs/dbraw/zinc/82/56/05/545825605.db2.gz SCSGPRMPPDDDLH-UHFFFAOYSA-N -1 1 315.344 2.781 20 0 DFADMM CC[C@@]1(C)Oc2ccc(NC(=O)c3n[nH]c(C)c3[O-])cc2O1 ZINC000682388914 545836157 /nfs/dbraw/zinc/83/61/57/545836157.db2.gz IROYPRKJTQQOKQ-HNNXBMFYSA-N -1 1 303.318 2.573 20 0 DFADMM O=C(CCOCC(F)(F)C(F)F)Nc1c([O-])cccc1F ZINC000682926846 545942057 /nfs/dbraw/zinc/94/20/57/545942057.db2.gz PFXVQRPAURCKMN-UHFFFAOYSA-N -1 1 313.222 2.777 20 0 DFADMM O=C(N[C@@H]1CCc2cc(O)ccc2C1)c1c([O-])cccc1F ZINC000683512441 546048260 /nfs/dbraw/zinc/04/82/60/546048260.db2.gz LRSWCSBRGBWMAV-GFCCVEGCSA-N -1 1 301.317 2.524 20 0 DFADMM COc1ccc(-c2nsc([N-]C(=O)c3nccs3)n2)cc1 ZINC000683545190 546058113 /nfs/dbraw/zinc/05/81/13/546058113.db2.gz FMTCYAGZBSJXBR-UHFFFAOYSA-N -1 1 318.383 2.923 20 0 DFADMM O=C(Nc1c([O-])cccc1F)c1ccc(O[C@H]2CCOC2)cc1 ZINC000684057549 546144746 /nfs/dbraw/zinc/14/47/46/546144746.db2.gz OCRSLZQEOMHUFM-ZDUSSCGKSA-N -1 1 317.316 2.951 20 0 DFADMM CC[C@H](C)[C@H](O)CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684877458 546296792 /nfs/dbraw/zinc/29/67/92/546296792.db2.gz QDZVOSBQJYPNQI-QPUJVOFHSA-N -1 1 305.296 2.548 20 0 DFADMM COc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2C)c(F)c1 ZINC000684924451 546303556 /nfs/dbraw/zinc/30/35/56/546303556.db2.gz GSCVARPHUQREOP-NXEZZACHSA-N -1 1 319.373 2.688 20 0 DFADMM COc1ccc(Nc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000737104979 598933292 /nfs/dbraw/zinc/93/32/92/598933292.db2.gz BRNKFIHJGMBAIN-UHFFFAOYSA-N -1 1 319.328 2.562 20 0 DFADMM COc1ccc(Nc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000737104979 598933293 /nfs/dbraw/zinc/93/32/93/598933293.db2.gz BRNKFIHJGMBAIN-UHFFFAOYSA-N -1 1 319.328 2.562 20 0 DFADMM C[C@@H](Cc1ccccc1)OC(=O)c1sccc1-c1nn[n-]n1 ZINC000736057682 599026414 /nfs/dbraw/zinc/02/64/14/599026414.db2.gz JCBOIPGWOLSHLO-JTQLQIEISA-N -1 1 314.370 2.716 20 0 DFADMM CC1(C)CCCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000820596543 599037472 /nfs/dbraw/zinc/03/74/72/599037472.db2.gz QQYLGGJCDZALIH-UHFFFAOYSA-N -1 1 312.830 2.993 20 0 DFADMM CC1(C)CCCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000820596543 599037475 /nfs/dbraw/zinc/03/74/75/599037475.db2.gz QQYLGGJCDZALIH-UHFFFAOYSA-N -1 1 312.830 2.993 20 0 DFADMM CCC(CC)(CNc1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC000820887842 599086813 /nfs/dbraw/zinc/08/68/13/599086813.db2.gz UJJCDRMLWSCJSE-UHFFFAOYSA-N -1 1 323.404 2.827 20 0 DFADMM CCC(CC)(CNc1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC000820887842 599086817 /nfs/dbraw/zinc/08/68/17/599086817.db2.gz UJJCDRMLWSCJSE-UHFFFAOYSA-N -1 1 323.404 2.827 20 0 DFADMM CC[C@]1(C)CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000820950074 599089684 /nfs/dbraw/zinc/08/96/84/599089684.db2.gz JDEVIQWWTQWNTA-CQSZACIVSA-N -1 1 306.801 2.932 20 0 DFADMM CC[C@]1(C)CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000820950074 599089686 /nfs/dbraw/zinc/08/96/86/599089686.db2.gz JDEVIQWWTQWNTA-CQSZACIVSA-N -1 1 306.801 2.932 20 0 DFADMM CC(C)CCSc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000820081372 599089954 /nfs/dbraw/zinc/08/99/54/599089954.db2.gz DZXHNHBWSJWSBN-UHFFFAOYSA-N -1 1 300.391 2.948 20 0 DFADMM CC[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(C)cc1 ZINC000736380409 599151696 /nfs/dbraw/zinc/15/16/96/599151696.db2.gz GDYSFDNIKHBDJR-OAHLLOKOSA-N -1 1 323.356 2.878 20 0 DFADMM CC[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(C)cc1 ZINC000736380409 599151699 /nfs/dbraw/zinc/15/16/99/599151699.db2.gz GDYSFDNIKHBDJR-OAHLLOKOSA-N -1 1 323.356 2.878 20 0 DFADMM O=C(OC1CCCCCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738216408 599153739 /nfs/dbraw/zinc/15/37/39/599153739.db2.gz ZCBVWBBHXFDFGK-UHFFFAOYSA-N -1 1 301.350 2.531 20 0 DFADMM O=C(OC1CCCCCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738216408 599153741 /nfs/dbraw/zinc/15/37/41/599153741.db2.gz ZCBVWBBHXFDFGK-UHFFFAOYSA-N -1 1 301.350 2.531 20 0 DFADMM Cc1ccc(CN(C)c2cc(-c3nnn[n-]3)nc3ccccc32)o1 ZINC000822237122 607303023 /nfs/dbraw/zinc/30/30/23/607303023.db2.gz GGIOSYGRYGAXJD-UHFFFAOYSA-N -1 1 320.356 2.953 20 0 DFADMM Cc1ccc(CN(C)c2cc(-c3nn[n-]n3)nc3ccccc32)o1 ZINC000822237122 607303024 /nfs/dbraw/zinc/30/30/24/607303024.db2.gz GGIOSYGRYGAXJD-UHFFFAOYSA-N -1 1 320.356 2.953 20 0 DFADMM COc1ccc(-c2n[nH]c(SCCCCC(=O)[O-])n2)cc1 ZINC000738084352 597750160 /nfs/dbraw/zinc/75/01/60/597750160.db2.gz MKSNUUSWJQZZFH-UHFFFAOYSA-N -1 1 307.375 2.827 20 0 DFADMM O=C([O-])C[C@H]1CCCN(Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000821516436 598151830 /nfs/dbraw/zinc/15/18/30/598151830.db2.gz UXDRLAQETHOICL-DGCLKSJQSA-N -1 1 310.419 2.681 20 0 DFADMM O=C([O-])c1cccc(CN2C[C@H](O)C[C@@H]2c2ccc(F)cc2)c1 ZINC000263496219 598212338 /nfs/dbraw/zinc/21/23/38/598212338.db2.gz SYQGTDFCPKHMPV-IAGOWNOFSA-N -1 1 315.344 2.832 20 0 DFADMM COc1ccccc1[C@H](N[C@H](C)CC(=O)[O-])c1ccccn1 ZINC000820876515 598217503 /nfs/dbraw/zinc/21/75/03/598217503.db2.gz OFEJPULTZAMHOO-PXAZEXFGSA-N -1 1 300.358 2.632 20 0 DFADMM Cc1ccn(Cc2ccc(C(C)(C)C)cc2)c(=O)c1-c1nn[n-]n1 ZINC000822374288 607348252 /nfs/dbraw/zinc/34/82/52/607348252.db2.gz PNKPEXXEMJMPNP-UHFFFAOYSA-N -1 1 323.400 2.683 20 0 DFADMM C[C@@H]1CCC[C@H](N(C)c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000736247158 598573015 /nfs/dbraw/zinc/57/30/15/598573015.db2.gz AOGJQPGLTMYSCS-ZJUUUORDSA-N -1 1 306.801 2.930 20 0 DFADMM C[C@@H]1CCC[C@H](N(C)c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000736247158 598573016 /nfs/dbraw/zinc/57/30/16/598573016.db2.gz AOGJQPGLTMYSCS-ZJUUUORDSA-N -1 1 306.801 2.930 20 0 DFADMM FC(F)(F)CCCNc1snc(Cl)c1-c1nnn[n-]1 ZINC000822714577 599358894 /nfs/dbraw/zinc/35/88/94/599358894.db2.gz PSUWMOVBJBZFDG-UHFFFAOYSA-N -1 1 312.708 2.731 20 0 DFADMM FC(F)(F)CCCNc1snc(Cl)c1-c1nn[n-]n1 ZINC000822714577 599358897 /nfs/dbraw/zinc/35/88/97/599358897.db2.gz PSUWMOVBJBZFDG-UHFFFAOYSA-N -1 1 312.708 2.731 20 0 DFADMM CC(C)(C)[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000735596022 599438668 /nfs/dbraw/zinc/43/86/68/599438668.db2.gz IAEYLRGBCXTKFZ-GFCCVEGCSA-N -1 1 300.410 2.914 20 0 DFADMM CC(C)(C)[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000735596022 599438670 /nfs/dbraw/zinc/43/86/70/599438670.db2.gz IAEYLRGBCXTKFZ-GFCCVEGCSA-N -1 1 300.410 2.914 20 0 DFADMM Cc1cccnc1CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000822370492 599530112 /nfs/dbraw/zinc/53/01/12/599530112.db2.gz ZEXIDQMFGCIORQ-UHFFFAOYSA-N -1 1 317.356 2.730 20 0 DFADMM Cc1cccnc1CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000822370492 599530114 /nfs/dbraw/zinc/53/01/14/599530114.db2.gz ZEXIDQMFGCIORQ-UHFFFAOYSA-N -1 1 317.356 2.730 20 0 DFADMM C[C@@H]1CC(OC(=O)c2sccc2-c2nn[n-]n2)C[C@@H](C)C1 ZINC000820649630 599625346 /nfs/dbraw/zinc/62/53/46/599625346.db2.gz NJQNVERSVFVFSE-IUCAKERBSA-N -1 1 306.391 2.910 20 0 DFADMM CCN(CC)CC(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000737086045 599849261 /nfs/dbraw/zinc/84/92/61/599849261.db2.gz SPSFRSAQIFECBM-UHFFFAOYSA-N -1 1 300.358 2.818 20 0 DFADMM CN(Cc1cc(C(=O)[O-])co1)C[C@@H]1OCCc2ccccc21 ZINC000737454287 599852069 /nfs/dbraw/zinc/85/20/69/599852069.db2.gz IGXNEHQGOWCFRL-INIZCTEOSA-N -1 1 301.342 2.724 20 0 DFADMM COc1ccc([C@H](NCc2cccnc2Cl)C(=O)[O-])cc1 ZINC000737969939 599859117 /nfs/dbraw/zinc/85/91/17/599859117.db2.gz MTSZLAFCEQHKFO-ZDUSSCGKSA-N -1 1 306.749 2.659 20 0 DFADMM CCc1cccc(C)c1NC(=O)CN(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000737266736 599948974 /nfs/dbraw/zinc/94/89/74/599948974.db2.gz HYHWXPXLVJXDGI-CYBMUJFWSA-N -1 1 318.417 2.681 20 0 DFADMM CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2ccc(C(=O)[O-])cc2)C1 ZINC000263506055 599992343 /nfs/dbraw/zinc/99/23/43/599992343.db2.gz XDLHSMPBJLZUJC-OAHLLOKOSA-N -1 1 318.417 2.512 20 0 DFADMM Cc1cccc(-c2nnc([C@@H](C)N3CCC(C(=O)[O-])CC3)o2)c1 ZINC000738306266 600034525 /nfs/dbraw/zinc/03/45/25/600034525.db2.gz GQUFURPUNPOYDA-GFCCVEGCSA-N -1 1 315.373 2.903 20 0 DFADMM O=C([O-])C[C@@H]1CCCCN1Cn1ccc(-c2cccs2)n1 ZINC000739638765 600074584 /nfs/dbraw/zinc/07/45/84/600074584.db2.gz AMPGQMBSHKCVJP-LBPRGKRZSA-N -1 1 305.403 2.898 20 0 DFADMM CN1CCN(Cc2ccc(F)cc2C(=O)[O-])Cc2ccccc21 ZINC000737528585 600102842 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CCc1noc(C)c1CN1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000827664551 603906897 /nfs/dbraw/zinc/90/68/97/603906897.db2.gz ZNWKPWKOTGXCPB-UHFFFAOYSA-N -1 1 321.421 2.900 20 0 DFADMM CCCN1CCC[C@H]1C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000826921126 603954156 /nfs/dbraw/zinc/95/41/56/603954156.db2.gz LCTNDYJXSRTHEZ-HNNXBMFYSA-N -1 1 317.389 2.540 20 0 DFADMM CCOc1ccccc1OCCN1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000827464801 604042439 /nfs/dbraw/zinc/04/24/39/604042439.db2.gz CNJYXVSIASGFSY-AWEZNQCLSA-N -1 1 322.405 2.538 20 0 DFADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2nc3ccccc3o2)C1 ZINC000825273759 604219991 /nfs/dbraw/zinc/21/99/91/604219991.db2.gz QTGVFUXFPZUHSA-NEPJUHHUSA-N -1 1 303.362 2.696 20 0 DFADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2nc3ccccc3o2)C1 ZINC000825273763 604221472 /nfs/dbraw/zinc/22/14/72/604221472.db2.gz QTGVFUXFPZUHSA-VXGBXAGGSA-N -1 1 303.362 2.696 20 0 DFADMM Cc1nc2ccc(NC(=O)c3c(C)[nH]c(C(=O)[O-])c3C)cc2[nH]1 ZINC000833004347 604271058 /nfs/dbraw/zinc/27/10/58/604271058.db2.gz OCJVTECDXYSNJB-UHFFFAOYSA-N -1 1 312.329 2.767 20 0 DFADMM C[C@]1(c2ccccc2)CN(C[C@@H]2CCCN(C(=O)[O-])C2)CCO1 ZINC000825772972 604352171 /nfs/dbraw/zinc/35/21/71/604352171.db2.gz UREHSQLTABKMAX-MAUKXSAKSA-N -1 1 318.417 2.624 20 0 DFADMM O=C([O-])N[C@@H]1CCN(Cc2ccc(SC(F)F)cc2)C1 ZINC000740597032 604373416 /nfs/dbraw/zinc/37/34/16/604373416.db2.gz SKOIHINJEKGEJF-SNVBAGLBSA-N -1 1 302.346 2.843 20 0 DFADMM CC(C)(NCc1ccsc1C(=O)[O-])C(=O)NCC1CCCC1 ZINC000833460318 604482949 /nfs/dbraw/zinc/48/29/49/604482949.db2.gz AZHCIRXXZMOBSG-UHFFFAOYSA-N -1 1 324.446 2.621 20 0 DFADMM O=C([O-])c1cccc(COC(=O)c2cccc(-c3nnc[nH]3)c2)c1 ZINC000833783550 604500886 /nfs/dbraw/zinc/50/08/86/604500886.db2.gz PXFKFESEOZFYNK-UHFFFAOYSA-N -1 1 323.308 2.527 20 0 DFADMM Cc1cc([C@@H](C)OC(=O)[C@@H]2CCCc3[nH]ncc32)oc1C(=O)[O-] ZINC000832878941 604601130 /nfs/dbraw/zinc/60/11/30/604601130.db2.gz ZJTZRLOJJCKUBG-NXEZZACHSA-N -1 1 318.329 2.734 20 0 DFADMM CC(C)C[C@H]1COCCN1Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000833483114 604639204 /nfs/dbraw/zinc/63/92/04/604639204.db2.gz LZQVARHQNGGIPR-HOCLYGCPSA-N -1 1 321.417 2.785 20 0 DFADMM CC1(C)CCc2cc(CN3CC[C@](F)(C(=O)[O-])C3)ccc2O1 ZINC000833560252 604682965 /nfs/dbraw/zinc/68/29/65/604682965.db2.gz JQGVKUBYBJGVIV-QGZVFWFLSA-N -1 1 307.365 2.789 20 0 DFADMM C[C@H](C(=O)OCc1ccc(C(=O)[O-])cc1F)N1CCCCCC1 ZINC000833408647 604704892 /nfs/dbraw/zinc/70/48/92/604704892.db2.gz FRPYMMUFCRKGAA-GFCCVEGCSA-N -1 1 323.364 2.832 20 0 DFADMM Cc1ccc(Cl)cc1NC(=O)CN(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000832934874 604744116 /nfs/dbraw/zinc/74/41/16/604744116.db2.gz MJUGNABDAFWUJB-LLVKDONJSA-N -1 1 324.808 2.772 20 0 DFADMM O=C([O-])c1cccc(C(=O)Nc2[nH]nc3c2cccc3Cl)n1 ZINC000833328347 604748879 /nfs/dbraw/zinc/74/88/79/604748879.db2.gz FNXYKKNQAZNWKK-UHFFFAOYSA-N -1 1 316.704 2.562 20 0 DFADMM COc1ccccc1[C@@H](CN[C@@H](C)c1ccco1)NC(=O)[O-] ZINC000829597269 604760246 /nfs/dbraw/zinc/76/02/46/604760246.db2.gz GJDWLSPSELOEPN-WCQYABFASA-N -1 1 304.346 2.948 20 0 DFADMM O=C([O-])[C@@H](O)C1CCN(Cc2c(Cl)oc3ccccc32)CC1 ZINC000833770844 604762827 /nfs/dbraw/zinc/76/28/27/604762827.db2.gz OTXNGHUHIGVTFN-AWEZNQCLSA-N -1 1 323.776 2.744 20 0 DFADMM CC[C@@H]1CC(=O)N(CN(CCCC(=O)[O-])Cc2ccccc2)C1 ZINC000829074560 604763404 /nfs/dbraw/zinc/76/34/04/604763404.db2.gz HHIQAIBUGBDKCE-OAHLLOKOSA-N -1 1 318.417 2.569 20 0 DFADMM O=C([O-])CCCN(Cc1ccccc1)Cn1cccnc1=S ZINC000833226885 604765335 /nfs/dbraw/zinc/76/53/35/604765335.db2.gz QBFLIPJMTQVOHZ-UHFFFAOYSA-N -1 1 317.414 2.937 20 0 DFADMM C/C(=C/COC(=O)c1[nH]c(-c2cccc(C)c2)nc1C)C(=O)[O-] ZINC000833384177 604905333 /nfs/dbraw/zinc/90/53/33/604905333.db2.gz OBZOQAUJEVJFIX-XFFZJAGNSA-N -1 1 314.341 2.881 20 0 DFADMM C[C@@H]1CN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CCN1C ZINC000833623819 604932751 /nfs/dbraw/zinc/93/27/51/604932751.db2.gz QDAVSBXDHLSCKG-RNCFNFMXSA-N -1 1 317.216 2.755 20 0 DFADMM CC(=O)Nc1cccc([C@H](C)N[C@@H](C(=O)[O-])c2cccnc2)c1 ZINC000825913141 604990475 /nfs/dbraw/zinc/99/04/75/604990475.db2.gz 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ZINC000833513587 605111181 /nfs/dbraw/zinc/11/11/81/605111181.db2.gz IPAMZQLPHMQTEZ-GJZGRUSLSA-N -1 1 324.465 2.600 20 0 DFADMM CCN1C[C@H](C)N(C(=O)Nc2cccc(NC(=O)[O-])c2)C[C@H]1C ZINC000833656837 605154751 /nfs/dbraw/zinc/15/47/51/605154751.db2.gz KMBPDSMBQKGEQV-NEPJUHHUSA-N -1 1 320.393 2.723 20 0 DFADMM C[C@H]1CCOCCN1CCOc1ccc(C(=O)[O-])cc1Cl ZINC000833617053 605203739 /nfs/dbraw/zinc/20/37/39/605203739.db2.gz NGWMLTVGISEADJ-NSHDSACASA-N -1 1 313.781 2.528 20 0 DFADMM CC(C)(C)OC(=O)CCCN1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833434073 605386901 /nfs/dbraw/zinc/38/69/01/605386901.db2.gz PGZFJWIKHLMZNT-UHFFFAOYSA-N -1 1 319.401 2.865 20 0 DFADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cc3cnc(Cl)s3)C[C@@H]21 ZINC000834178768 605447474 /nfs/dbraw/zinc/44/74/74/605447474.db2.gz FRMFSYDCZHKIDP-DVVUODLYSA-N -1 1 315.826 2.665 20 0 DFADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cc3csc(C4CC4)n3)C[C@@H]21 ZINC000834181944 605458497 /nfs/dbraw/zinc/45/84/97/605458497.db2.gz MSJPSRDVXBVVED-KWCYVHTRSA-N -1 1 321.446 2.889 20 0 DFADMM C[C@H](NC(=O)[O-])[C@@H]1CCN(c2ccnc3cc(F)ccc32)C1 ZINC000833818245 605501332 /nfs/dbraw/zinc/50/13/32/605501332.db2.gz PDJMJIHIINFJOR-WDEREUQCSA-N -1 1 303.337 2.856 20 0 DFADMM C[C@@H](NC(=O)[O-])[C@H]1CCN(c2ccnc3cc(F)ccc32)C1 ZINC000833818241 605501348 /nfs/dbraw/zinc/50/13/48/605501348.db2.gz PDJMJIHIINFJOR-MNOVXSKESA-N -1 1 303.337 2.856 20 0 DFADMM Cc1cccn2c(C[N@@H+]3CCCC[C@H]3[C@@H](C)NC(=O)[O-])cnc12 ZINC000833908379 605509428 /nfs/dbraw/zinc/50/94/28/605509428.db2.gz AXMOGIRKXOTEOY-HIFRSBDPSA-N -1 1 316.405 2.653 20 0 DFADMM Cc1cccn2c(CN3CCCC[C@H]3[C@@H](C)NC(=O)[O-])cnc12 ZINC000833908379 605509430 /nfs/dbraw/zinc/50/94/30/605509430.db2.gz AXMOGIRKXOTEOY-HIFRSBDPSA-N -1 1 316.405 2.653 20 0 DFADMM O=C([O-])Nc1cccc(CN2CCCC[C@H]2C2OCCO2)c1 ZINC000834269302 605597737 /nfs/dbraw/zinc/59/77/37/605597737.db2.gz SDBOSMRHRZNYLY-AWEZNQCLSA-N -1 1 306.362 2.504 20 0 DFADMM O=C([O-])NC[C@H]1CCN(Cc2ncc(-c3ccccc3)s2)C1 ZINC000834226224 605641147 /nfs/dbraw/zinc/64/11/47/605641147.db2.gz UESZDSYTSHZZOF-GFCCVEGCSA-N -1 1 317.414 2.900 20 0 DFADMM O=C([O-])NC[C@@H]1CCN(Cc2ncc(-c3ccccc3)s2)C1 ZINC000834226225 605641234 /nfs/dbraw/zinc/64/12/34/605641234.db2.gz UESZDSYTSHZZOF-LBPRGKRZSA-N -1 1 317.414 2.900 20 0 DFADMM O=C([O-])N[C@H]1C[C@H](NCc2cccc(F)n2)c2ccccc21 ZINC000834159479 605808778 /nfs/dbraw/zinc/80/87/78/605808778.db2.gz UDRLFDASAXLZKF-KBPBESRZSA-N -1 1 301.321 2.764 20 0 DFADMM O=C([O-])c1ccc(F)c(CN[C@H](CCO)c2ccccc2)c1 ZINC000833781137 605845061 /nfs/dbraw/zinc/84/50/61/605845061.db2.gz RNZONSISLASKKC-MRXNPFEDSA-N -1 1 303.333 2.737 20 0 DFADMM O=C([O-])N1CCC2(CCN(Cc3ccc(F)cc3F)C2)CC1 ZINC000834091433 605897018 /nfs/dbraw/zinc/89/70/18/605897018.db2.gz CCGDWEMHYZLSPE-UHFFFAOYSA-N -1 1 310.344 2.931 20 0 DFADMM O=C([O-])N1CC[C@H](N[C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000834082567 605983489 /nfs/dbraw/zinc/98/34/89/605983489.db2.gz HAEHLCSMKCKCBH-HOTGVXAUSA-N -1 1 315.348 2.652 20 0 DFADMM Cc1cnc([C@@H](C)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)s1 ZINC000822389082 606104113 /nfs/dbraw/zinc/10/41/13/606104113.db2.gz KPLJXBUYHGDCSX-SSDOTTSWSA-N -1 1 321.797 2.853 20 0 DFADMM Cc1cnc([C@@H](C)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)s1 ZINC000822389082 606104115 /nfs/dbraw/zinc/10/41/15/606104115.db2.gz KPLJXBUYHGDCSX-SSDOTTSWSA-N -1 1 321.797 2.853 20 0 DFADMM Clc1nsc(N2C[C@@H]3CCCC[C@@H]3C2)c1-c1nnn[n-]1 ZINC000822591110 606105609 /nfs/dbraw/zinc/10/56/09/606105609.db2.gz RBRCIHKPLQBLCW-OCAPTIKFSA-N -1 1 310.814 2.603 20 0 DFADMM Clc1nsc(N2C[C@@H]3CCCC[C@@H]3C2)c1-c1nn[n-]n1 ZINC000822591110 606105611 /nfs/dbraw/zinc/10/56/11/606105611.db2.gz RBRCIHKPLQBLCW-OCAPTIKFSA-N -1 1 310.814 2.603 20 0 DFADMM C[C@@H](COC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000820288929 606131809 /nfs/dbraw/zinc/13/18/09/606131809.db2.gz YUNXMVQTLZMNQK-JTQLQIEISA-N -1 1 314.370 2.889 20 0 DFADMM C[C@@H](COC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000820288929 606131810 /nfs/dbraw/zinc/13/18/10/606131810.db2.gz YUNXMVQTLZMNQK-JTQLQIEISA-N -1 1 314.370 2.889 20 0 DFADMM C[C@@H](Cc1ccccc1)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820298871 606177316 /nfs/dbraw/zinc/17/73/16/606177316.db2.gz BVURVKRNOHGPSH-JTQLQIEISA-N -1 1 314.370 2.716 20 0 DFADMM C[C@@H](Cc1ccccc1)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820298871 606177318 /nfs/dbraw/zinc/17/73/18/606177318.db2.gz BVURVKRNOHGPSH-JTQLQIEISA-N -1 1 314.370 2.716 20 0 DFADMM C[C@@H](CC1CCCC1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820232391 606195442 /nfs/dbraw/zinc/19/54/42/606195442.db2.gz GAMLXXBSFSJMON-JTQLQIEISA-N -1 1 315.377 2.727 20 0 DFADMM C[C@H](CC1CCCC1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820232394 606195655 /nfs/dbraw/zinc/19/56/55/606195655.db2.gz GAMLXXBSFSJMON-SNVBAGLBSA-N -1 1 315.377 2.727 20 0 DFADMM C[C@@H](c1cc(F)ccc1F)N(C)c1cccc(-c2nnn[n-]2)n1 ZINC000820557355 606456927 /nfs/dbraw/zinc/45/69/27/606456927.db2.gz YVIYECQHHDBPSK-VIFPVBQESA-N -1 1 316.315 2.737 20 0 DFADMM C[C@@H](c1cc(F)ccc1F)N(C)c1cccc(-c2nn[n-]n2)n1 ZINC000820557355 606456928 /nfs/dbraw/zinc/45/69/28/606456928.db2.gz YVIYECQHHDBPSK-VIFPVBQESA-N -1 1 316.315 2.737 20 0 DFADMM Cc1nc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)cs1 ZINC000822444640 606457505 /nfs/dbraw/zinc/45/75/05/606457505.db2.gz WOGIKTJLJBAAST-UHFFFAOYSA-N -1 1 323.385 2.792 20 0 DFADMM Cc1nc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)cs1 ZINC000822444640 606457506 /nfs/dbraw/zinc/45/75/06/606457506.db2.gz WOGIKTJLJBAAST-UHFFFAOYSA-N -1 1 323.385 2.792 20 0 DFADMM Cc1cccc([C@@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)c1 ZINC000822299794 606458903 /nfs/dbraw/zinc/45/89/03/606458903.db2.gz VDOKQEAJXXCADI-HNNXBMFYSA-N -1 1 306.373 2.912 20 0 DFADMM Cc1cccc([C@@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)c1 ZINC000822299794 606458905 /nfs/dbraw/zinc/45/89/05/606458905.db2.gz VDOKQEAJXXCADI-HNNXBMFYSA-N -1 1 306.373 2.912 20 0 DFADMM O=C(Nc1cccc2ncccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823368525 606490979 /nfs/dbraw/zinc/49/09/79/606490979.db2.gz ZRTBQLSWWWCFJD-UHFFFAOYSA-N -1 1 322.353 2.729 20 0 DFADMM O=C(Nc1cccc2ncccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823368525 606490980 /nfs/dbraw/zinc/49/09/80/606490980.db2.gz ZRTBQLSWWWCFJD-UHFFFAOYSA-N -1 1 322.353 2.729 20 0 DFADMM O=C(Nc1cccc(Cl)c1F)c1ccc(-c2nnn[n-]2)s1 ZINC000823363616 606492807 /nfs/dbraw/zinc/49/28/07/606492807.db2.gz JCPILCVXMWODTR-UHFFFAOYSA-N -1 1 323.740 2.973 20 0 DFADMM O=C(Nc1cccc(Cl)c1F)c1ccc(-c2nn[n-]n2)s1 ZINC000823363616 606492808 /nfs/dbraw/zinc/49/28/08/606492808.db2.gz JCPILCVXMWODTR-UHFFFAOYSA-N -1 1 323.740 2.973 20 0 DFADMM CC1CCC(C)(NC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000820684465 606542746 /nfs/dbraw/zinc/54/27/46/606542746.db2.gz QCXDMVIFWBXOEI-UHFFFAOYSA-N -1 1 305.407 2.627 20 0 DFADMM CC1CCC(C)(NC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000820684465 606542747 /nfs/dbraw/zinc/54/27/47/606542747.db2.gz QCXDMVIFWBXOEI-UHFFFAOYSA-N -1 1 305.407 2.627 20 0 DFADMM CN(CCC1CCCCC1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821598975 606544512 /nfs/dbraw/zinc/54/45/12/606544512.db2.gz AQPSPPILINIERT-UHFFFAOYSA-N -1 1 319.434 2.971 20 0 DFADMM CN(CCC1CCCCC1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821598975 606544515 /nfs/dbraw/zinc/54/45/15/606544515.db2.gz AQPSPPILINIERT-UHFFFAOYSA-N -1 1 319.434 2.971 20 0 DFADMM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820861809 606567570 /nfs/dbraw/zinc/56/75/70/606567570.db2.gz NWJGMOYYZYEEAZ-QWRGUYRKSA-N -1 1 319.434 2.969 20 0 DFADMM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820861809 606567572 /nfs/dbraw/zinc/56/75/72/606567572.db2.gz NWJGMOYYZYEEAZ-QWRGUYRKSA-N -1 1 319.434 2.969 20 0 DFADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC2(CCCC2)CC1 ZINC000823484402 606570431 /nfs/dbraw/zinc/57/04/31/606570431.db2.gz XCYLYKZCERXCKA-UHFFFAOYSA-N -1 1 317.418 2.725 20 0 DFADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC2(CCCC2)CC1 ZINC000823484402 606570432 /nfs/dbraw/zinc/57/04/32/606570432.db2.gz XCYLYKZCERXCKA-UHFFFAOYSA-N -1 1 317.418 2.725 20 0 DFADMM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820649219 606582024 /nfs/dbraw/zinc/58/20/24/606582024.db2.gz JYYQUAZOJPAPIG-NXEZZACHSA-N -1 1 319.434 2.873 20 0 DFADMM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820649219 606582025 /nfs/dbraw/zinc/58/20/25/606582025.db2.gz JYYQUAZOJPAPIG-NXEZZACHSA-N -1 1 319.434 2.873 20 0 DFADMM O=C(Nc1cc(Cl)ccc1O)c1ccc(-c2nn[n-]n2)s1 ZINC000823299462 606592133 /nfs/dbraw/zinc/59/21/33/606592133.db2.gz YJSJHCNYZLLHJD-UHFFFAOYSA-N -1 1 321.749 2.540 20 0 DFADMM CC(C)C1CCC(NC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000820039593 606937896 /nfs/dbraw/zinc/93/78/96/606937896.db2.gz ZMODBNQZNAUQEK-UHFFFAOYSA-N -1 1 319.434 2.873 20 0 DFADMM CC(C)C1CCC(NC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000820039593 606937897 /nfs/dbraw/zinc/93/78/97/606937897.db2.gz ZMODBNQZNAUQEK-UHFFFAOYSA-N -1 1 319.434 2.873 20 0 DFADMM Cc1cc(F)ccc1OC(=O)c1sccc1-c1nn[n-]n1 ZINC000826268735 607861662 /nfs/dbraw/zinc/86/16/62/607861662.db2.gz LBROZFZLMJFHJO-UHFFFAOYSA-N -1 1 304.306 2.595 20 0 DFADMM Cc1ccc([C@@H]2CCCCN2c2cccc(-c3nnn[n-]3)n2)o1 ZINC000826285637 607900320 /nfs/dbraw/zinc/90/03/20/607900320.db2.gz FNCAKBDBNLOPNB-ZDUSSCGKSA-N -1 1 310.361 2.895 20 0 DFADMM Cc1ccc([C@@H]2CCCCN2c2cccc(-c3nn[n-]n3)n2)o1 ZINC000826285637 607900321 /nfs/dbraw/zinc/90/03/21/607900321.db2.gz FNCAKBDBNLOPNB-ZDUSSCGKSA-N -1 1 310.361 2.895 20 0 DFADMM CCc1cc(Oc2ccc(-c3nnn[n-]3)nn2)ccc1Cl ZINC000825700620 607987788 /nfs/dbraw/zinc/98/77/88/607987788.db2.gz MUFHJZAFQZIURM-UHFFFAOYSA-N -1 1 302.725 2.665 20 0 DFADMM CCc1cc(Oc2ccc(-c3nn[n-]n3)nn2)ccc1Cl ZINC000825700620 607987789 /nfs/dbraw/zinc/98/77/89/607987789.db2.gz MUFHJZAFQZIURM-UHFFFAOYSA-N -1 1 302.725 2.665 20 0 DFADMM C[C@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)c1ccc[nH]1 ZINC000824650585 608016810 /nfs/dbraw/zinc/01/68/10/608016810.db2.gz SDRGYZCJYQSYHV-JTQLQIEISA-N -1 1 305.345 2.916 20 0 DFADMM C[C@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)c1ccc[nH]1 ZINC000824650585 608016811 /nfs/dbraw/zinc/01/68/11/608016811.db2.gz SDRGYZCJYQSYHV-JTQLQIEISA-N -1 1 305.345 2.916 20 0 DFADMM Fc1cccc(Oc2ccc3nccnc3c2)c1-c1nnn[n-]1 ZINC000826378112 608017422 /nfs/dbraw/zinc/01/74/22/608017422.db2.gz VSQSPVAKVKVZJU-UHFFFAOYSA-N -1 1 308.276 2.741 20 0 DFADMM Fc1cccc(Oc2ccc3nccnc3c2)c1-c1nn[n-]n1 ZINC000826378112 608017423 /nfs/dbraw/zinc/01/74/23/608017423.db2.gz VSQSPVAKVKVZJU-UHFFFAOYSA-N -1 1 308.276 2.741 20 0 DFADMM FC1(F)CCC(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000826370128 608053207 /nfs/dbraw/zinc/05/32/07/608053207.db2.gz FHKUMTXQOYGDAD-UHFFFAOYSA-N -1 1 314.727 2.905 20 0 DFADMM FC1(F)CCC(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000826370128 608053208 /nfs/dbraw/zinc/05/32/08/608053208.db2.gz FHKUMTXQOYGDAD-UHFFFAOYSA-N -1 1 314.727 2.905 20 0 DFADMM CC[C@H](C)CCCCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000825060562 608142681 /nfs/dbraw/zinc/14/26/81/608142681.db2.gz QZDHYWZJEUXACR-LBPRGKRZSA-N -1 1 317.393 2.911 20 0 DFADMM CC[C@H](C)CCCCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825060562 608142682 /nfs/dbraw/zinc/14/26/82/608142682.db2.gz QZDHYWZJEUXACR-LBPRGKRZSA-N -1 1 317.393 2.911 20 0 DFADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc2ccccc2c1 ZINC000824656229 608389318 /nfs/dbraw/zinc/38/93/18/608389318.db2.gz JHGYSEBHVCKLFN-NSHDSACASA-N -1 1 317.356 2.983 20 0 DFADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc2ccccc2c1 ZINC000824656229 608389319 /nfs/dbraw/zinc/38/93/19/608389319.db2.gz JHGYSEBHVCKLFN-NSHDSACASA-N -1 1 317.356 2.983 20 0 DFADMM CCCCC1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000825266795 608405226 /nfs/dbraw/zinc/40/52/26/608405226.db2.gz HKZRTEHHRXQXKV-UHFFFAOYSA-N -1 1 301.398 2.818 20 0 DFADMM CCCCC1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000825266795 608405228 /nfs/dbraw/zinc/40/52/28/608405228.db2.gz HKZRTEHHRXQXKV-UHFFFAOYSA-N -1 1 301.398 2.818 20 0 DFADMM CC(C)CC[C@H]1CCC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824245324 608411439 /nfs/dbraw/zinc/41/14/39/608411439.db2.gz XTIVBCLMQRLNTQ-NEPJUHHUSA-N -1 1 301.398 2.674 20 0 DFADMM CC(C)CC[C@H]1CCC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824245324 608411440 /nfs/dbraw/zinc/41/14/40/608411440.db2.gz XTIVBCLMQRLNTQ-NEPJUHHUSA-N -1 1 301.398 2.674 20 0 DFADMM CC(C)CC[C@@H]1CCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824245326 608411465 /nfs/dbraw/zinc/41/14/65/608411465.db2.gz XTIVBCLMQRLNTQ-NWDGAFQWSA-N -1 1 301.398 2.674 20 0 DFADMM CC(C)CC[C@@H]1CCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824245326 608411467 /nfs/dbraw/zinc/41/14/67/608411467.db2.gz XTIVBCLMQRLNTQ-NWDGAFQWSA-N -1 1 301.398 2.674 20 0 DFADMM CO[C@@H]1CCC[C@@H]1CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000826146303 608417188 /nfs/dbraw/zinc/41/71/88/608417188.db2.gz SXTXAVPLOYCHKZ-BDJLRTHQSA-N -1 1 324.388 2.642 20 0 DFADMM CO[C@@H]1CCC[C@@H]1CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000826146303 608417190 /nfs/dbraw/zinc/41/71/90/608417190.db2.gz SXTXAVPLOYCHKZ-BDJLRTHQSA-N -1 1 324.388 2.642 20 0 DFADMM CCSCc1cccc(Nc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000825673771 608422768 /nfs/dbraw/zinc/42/27/68/608422768.db2.gz BNPDPQJXMJKMCE-UHFFFAOYSA-N -1 1 313.390 2.653 20 0 DFADMM CCSCc1cccc(Nc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000825673771 608422770 /nfs/dbraw/zinc/42/27/70/608422770.db2.gz BNPDPQJXMJKMCE-UHFFFAOYSA-N -1 1 313.390 2.653 20 0 DFADMM CCC(CC)(CNc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC000825089259 608425723 /nfs/dbraw/zinc/42/57/23/608425723.db2.gz AQOGVOQUCHHTPS-UHFFFAOYSA-N -1 1 323.404 2.827 20 0 DFADMM CCC(CC)(CNc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC000825089259 608425725 /nfs/dbraw/zinc/42/57/25/608425725.db2.gz AQOGVOQUCHHTPS-UHFFFAOYSA-N -1 1 323.404 2.827 20 0 DFADMM COc1ccc(Cl)c(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000826208486 608449498 /nfs/dbraw/zinc/44/94/98/608449498.db2.gz MVJOWCGZDPECPW-UHFFFAOYSA-N -1 1 305.725 2.734 20 0 DFADMM COc1ccc(Cl)c(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000826208486 608449499 /nfs/dbraw/zinc/44/94/99/608449499.db2.gz MVJOWCGZDPECPW-UHFFFAOYSA-N -1 1 305.725 2.734 20 0 DFADMM CCOc1cccc([C@@H]2C[C@@H]2Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC000825648929 608588800 /nfs/dbraw/zinc/58/88/00/608588800.db2.gz GTPDOCSUMLFRGB-ZFWWWQNUSA-N -1 1 322.372 2.628 20 0 DFADMM CCOc1cccc([C@@H]2C[C@@H]2Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC000825648929 608588802 /nfs/dbraw/zinc/58/88/02/608588802.db2.gz GTPDOCSUMLFRGB-ZFWWWQNUSA-N -1 1 322.372 2.628 20 0 DFADMM CCCN(Cc1ccc(-c2nn[n-]n2)s1)CC(F)(F)F ZINC000825323444 608598354 /nfs/dbraw/zinc/59/83/54/608598354.db2.gz WDCDWMHZWLTTOV-UHFFFAOYSA-N -1 1 305.329 2.703 20 0 DFADMM CC(C)n1cc2c(n1)[C@@H](Nc1cccc(-c3nnn[n-]3)n1)CCC2 ZINC000824371663 609171884 /nfs/dbraw/zinc/17/18/84/609171884.db2.gz NNWJVBUKADGTEY-LBPRGKRZSA-N -1 1 324.392 2.529 20 0 DFADMM CC(C)n1cc2c(n1)[C@@H](Nc1cccc(-c3nn[n-]n3)n1)CCC2 ZINC000824371663 609171885 /nfs/dbraw/zinc/17/18/85/609171885.db2.gz NNWJVBUKADGTEY-LBPRGKRZSA-N -1 1 324.392 2.529 20 0 DFADMM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C[C@H]1F ZINC000824962208 609319487 /nfs/dbraw/zinc/31/94/87/609319487.db2.gz QCPCJWQUOANAGA-ZYHUDNBSSA-N -1 1 312.352 2.599 20 0 DFADMM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C[C@H]1F ZINC000824962208 609319489 /nfs/dbraw/zinc/31/94/89/609319489.db2.gz QCPCJWQUOANAGA-ZYHUDNBSSA-N -1 1 312.352 2.599 20 0 DFADMM Cc1cc2c(cc1NCc1ccc(-c3nn[n-]n3)s1)OCO2 ZINC000826273246 609320511 /nfs/dbraw/zinc/32/05/11/609320511.db2.gz VGXIDTIHSVTGGZ-UHFFFAOYSA-N -1 1 315.358 2.577 20 0 DFADMM Fc1cccc(F)c1CSCc1ccnc(-c2nnn[n-]2)c1 ZINC000826377362 609520330 /nfs/dbraw/zinc/52/03/30/609520330.db2.gz OHZNHRNKFKEGIQ-UHFFFAOYSA-N -1 1 319.340 2.973 20 0 DFADMM Fc1cccc(F)c1CSCc1ccnc(-c2nn[n-]n2)c1 ZINC000826377362 609520333 /nfs/dbraw/zinc/52/03/33/609520333.db2.gz OHZNHRNKFKEGIQ-UHFFFAOYSA-N -1 1 319.340 2.973 20 0 DFADMM C[C@@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)[C@H]1CCCOC1 ZINC000824651456 609564344 /nfs/dbraw/zinc/56/43/44/609564344.db2.gz ZVNQQDUYLFOVOK-NEPJUHHUSA-N -1 1 324.388 2.642 20 0 DFADMM C[C@@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)[C@H]1CCCOC1 ZINC000824651456 609564345 /nfs/dbraw/zinc/56/43/45/609564345.db2.gz ZVNQQDUYLFOVOK-NEPJUHHUSA-N -1 1 324.388 2.642 20 0 DFADMM C(=C\[C@H]1CCCN1c1cccc(-c2nnn[n-]2)n1)\c1ccccc1 ZINC000823861995 609578442 /nfs/dbraw/zinc/57/84/42/609578442.db2.gz WPLXOQJOXGKTDJ-QYMJWVLRSA-N -1 1 318.384 2.944 20 0 DFADMM C(=C\[C@H]1CCCN1c1cccc(-c2nn[n-]n2)n1)\c1ccccc1 ZINC000823861995 609578444 /nfs/dbraw/zinc/57/84/44/609578444.db2.gz WPLXOQJOXGKTDJ-QYMJWVLRSA-N -1 1 318.384 2.944 20 0 DFADMM O=C1CCCCCN1Cc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278301709 214076124 /nfs/dbraw/zinc/07/61/24/214076124.db2.gz XOBAIXMEICXFNN-UHFFFAOYSA-N -1 1 321.764 2.998 20 0 DFADMM CCOc1cc(C(=O)N[C@@H]2CCOC[C@H]2C)cc(Cl)c1[O-] ZINC000278360610 214115314 /nfs/dbraw/zinc/11/53/14/214115314.db2.gz BJAZHBYUGJBMIO-BXKDBHETSA-N -1 1 313.781 2.599 20 0 DFADMM O=C(C1CC=CC1)N1CCC(c2n[n-]c(=S)n2C2CC2)CC1 ZINC000076993856 185064461 /nfs/dbraw/zinc/06/44/61/185064461.db2.gz ATPNYYGTCXOYHH-UHFFFAOYSA-N -1 1 318.446 2.948 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H](C)C1CCCCC1 ZINC000081830341 192330118 /nfs/dbraw/zinc/33/01/18/192330118.db2.gz CYXXEGWVTHHFCX-VIFPVBQESA-N -1 1 309.435 2.911 20 0 DFADMM O=C(Nc1nc(C2CCC2)n[nH]1)c1cc(F)c([O-])c(Cl)c1 ZINC000278486144 214184810 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2.586 20 0 DFADMM Cn1nccc1[C@H]1CCCCN1C(=O)c1cc(F)ccc1[O-] ZINC000281923692 268271466 /nfs/dbraw/zinc/27/14/66/268271466.db2.gz HBZSVWYVBSNTNU-CQSZACIVSA-N -1 1 303.337 2.632 20 0 DFADMM CC[C@@H](C)NC(=O)CCNC(=O)c1cc2ccccc2cc1[O-] ZINC000298977473 268317879 /nfs/dbraw/zinc/31/78/79/268317879.db2.gz OMQOLIPVONQHPS-GFCCVEGCSA-N -1 1 314.385 2.580 20 0 DFADMM COc1ccc(Cc2noc(-c3cc(F)ccc3[O-])n2)cn1 ZINC000317095287 268345202 /nfs/dbraw/zinc/34/52/02/268345202.db2.gz BJFWEKWQSQSPRJ-UHFFFAOYSA-N -1 1 301.277 2.576 20 0 DFADMM CCc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000316777773 268345217 /nfs/dbraw/zinc/34/52/17/268345217.db2.gz VFFSTVKCSMSRQL-UHFFFAOYSA-N -1 1 323.345 2.887 20 0 DFADMM O=C(c1ccc([O-])cc1F)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000317885438 268345713 /nfs/dbraw/zinc/34/57/13/268345713.db2.gz DYUMWTQPCQVUHL-NUEKZKHPSA-N -1 1 307.365 2.687 20 0 DFADMM COc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c(O)c1 ZINC000318302764 268345953 /nfs/dbraw/zinc/34/59/53/268345953.db2.gz 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/nfs/dbraw/zinc/94/07/67/425940767.db2.gz FEHKVMHYIXPKJB-GDBMZVCRSA-N -1 1 323.414 2.652 20 0 DFADMM O=S(=O)([N-][C@H]1CCCc2occc21)c1cc(F)ccc1F ZINC000125288007 425963732 /nfs/dbraw/zinc/96/37/32/425963732.db2.gz JAHJKSZDWWLLDN-LBPRGKRZSA-N -1 1 313.325 2.914 20 0 DFADMM COc1ccc(CNC(=O)c2cc(Cl)ccc2[O-])c(OC)c1 ZINC000105846345 425968426 /nfs/dbraw/zinc/96/84/26/425968426.db2.gz IGMOEAZTUCHAGP-UHFFFAOYSA-N -1 1 321.760 2.993 20 0 DFADMM CCc1ccccc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000070156514 425968748 /nfs/dbraw/zinc/96/87/48/425968748.db2.gz AZEBWERGQMVKEM-UHFFFAOYSA-N -1 1 311.384 2.810 20 0 DFADMM CN(Cc1ccccc1Br)C(=O)c1cncc([O-])c1 ZINC000108953115 426025580 /nfs/dbraw/zinc/02/55/80/426025580.db2.gz QDGHEFHKXNTNNB-UHFFFAOYSA-N -1 1 321.174 2.822 20 0 DFADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc2ncccc2c1 ZINC000126585205 426026474 /nfs/dbraw/zinc/02/64/74/426026474.db2.gz NQXLQZLEYFHUPZ-UHFFFAOYSA-N -1 1 307.235 2.624 20 0 DFADMM COCc1ccc(S(=O)(=O)[N-]c2cccc(OC)c2C)cc1 ZINC000073631028 426028483 /nfs/dbraw/zinc/02/84/83/426028483.db2.gz DAEGJNYMCZSXQO-UHFFFAOYSA-N -1 1 321.398 2.951 20 0 DFADMM Cc1cc(C[C@@H](C)NC(=O)c2ccc3ccccc3c2[O-])[nH]n1 ZINC000161594117 426031271 /nfs/dbraw/zinc/03/12/71/426031271.db2.gz WCTOUWCZGMYIMS-LLVKDONJSA-N -1 1 309.369 2.938 20 0 DFADMM O=S(=O)([N-]c1ccncc1)c1cccc(OC(F)(F)F)c1 ZINC000073878766 426033023 /nfs/dbraw/zinc/03/30/23/426033023.db2.gz SVQDXQWVNXWKAE-UHFFFAOYSA-N -1 1 318.276 2.781 20 0 DFADMM CC(C)c1ccc2nc(-c3ccc(C(N)=O)cc3)[n-]c(=O)c2c1 ZINC000126769773 426036716 /nfs/dbraw/zinc/03/67/16/426036716.db2.gz OFRXJZXIIGWZGC-UHFFFAOYSA-N -1 1 307.353 2.812 20 0 DFADMM CC[C@@H]1CN(C(=O)c2cnc3nc(C)ccc3c2[O-])CCS1 ZINC000075385708 426072092 /nfs/dbraw/zinc/07/20/92/426072092.db2.gz KPHYYKRCYQRFIE-LLVKDONJSA-N -1 1 317.414 2.611 20 0 DFADMM CC[C@@H]1CN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)CCS1 ZINC000075385708 426072094 /nfs/dbraw/zinc/07/20/94/426072094.db2.gz KPHYYKRCYQRFIE-LLVKDONJSA-N -1 1 317.414 2.611 20 0 DFADMM COc1c(C)cc(CN(C)C(=O)c2cncc([O-])c2)cc1C ZINC000111593587 426053180 /nfs/dbraw/zinc/05/31/80/426053180.db2.gz ALXOLDDMJHCZOJ-UHFFFAOYSA-N -1 1 300.358 2.685 20 0 DFADMM O=C(NCC1(c2ccc(F)cc2)CCC1)c1cncc([O-])c1 ZINC000111591421 426053643 /nfs/dbraw/zinc/05/36/43/426053643.db2.gz KMRJEXSRPNSXGQ-UHFFFAOYSA-N -1 1 300.333 2.778 20 0 DFADMM CCC[C@@H](NC(=O)CC[C@@H](C)c1ccccc1)c1nn[n-]n1 ZINC000162135443 426053783 /nfs/dbraw/zinc/05/37/83/426053783.db2.gz KONZROPNIVUUEH-TZMCWYRMSA-N -1 1 301.394 2.741 20 0 DFADMM CCC[C@@H](NC(=O)CC[C@H](C)c1ccccc1)c1nn[n-]n1 ZINC000162135662 426054002 /nfs/dbraw/zinc/05/40/02/426054002.db2.gz KONZROPNIVUUEH-GXTWGEPZSA-N -1 1 301.394 2.741 20 0 DFADMM C[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111666587 426055136 /nfs/dbraw/zinc/05/51/36/426055136.db2.gz NJKMXNIHTBMBHR-QMMMGPOBSA-N -1 1 324.789 2.864 20 0 DFADMM CN(Cc1cccc(Br)c1)C(=O)c1cncc([O-])c1 ZINC000111763186 426058124 /nfs/dbraw/zinc/05/81/24/426058124.db2.gz VFOUXTBSWBINEQ-UHFFFAOYSA-N -1 1 321.174 2.822 20 0 DFADMM O=S(=O)([N-]CCc1ccccc1F)c1cccc(F)c1F ZINC000337815597 268553594 /nfs/dbraw/zinc/55/35/94/268553594.db2.gz QJVGHIJDOXEEBX-UHFFFAOYSA-N -1 1 315.316 2.625 20 0 DFADMM CCCc1cc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)[nH]n1 ZINC000126389945 426017714 /nfs/dbraw/zinc/01/77/14/426017714.db2.gz BSORXOHJBMYXDT-UHFFFAOYSA-N -1 1 311.382 2.919 20 0 DFADMM CCCc1cc([N-]S(=O)(=O)c2ccc(Cl)s2)[nH]n1 ZINC000126439378 426019329 /nfs/dbraw/zinc/01/93/29/426019329.db2.gz ZJBNSMBBZUOAAV-UHFFFAOYSA-N -1 1 305.812 2.878 20 0 DFADMM O=S(=O)([N-]c1cccc(O)c1F)c1ccc(F)c(F)c1F ZINC000127880645 426090678 /nfs/dbraw/zinc/09/06/78/426090678.db2.gz HYVKMFHYJMFWGC-UHFFFAOYSA-N -1 1 321.251 2.749 20 0 DFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@@H](C)C[C@@H](C)C1 ZINC000163487957 426101400 /nfs/dbraw/zinc/10/14/00/426101400.db2.gz OKTOLDMLHMBGIL-VXGBXAGGSA-N -1 1 319.449 2.884 20 0 DFADMM Cc1cc(Cl)c([N-]S(=O)(=O)c2cn[nH]c2)cc1Cl ZINC000128141971 426103873 /nfs/dbraw/zinc/10/38/73/426103873.db2.gz 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/nfs/dbraw/zinc/11/96/84/426119684.db2.gz YPJDUDXCCQSWIW-UHFFFAOYSA-N -1 1 303.322 2.628 20 0 DFADMM Cc1cc(C(=O)Nc2nn[n-]n2)sc1-c1ccc(F)cc1 ZINC000076964278 426119686 /nfs/dbraw/zinc/11/96/86/426119686.db2.gz YPJDUDXCCQSWIW-UHFFFAOYSA-N -1 1 303.322 2.628 20 0 DFADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)C2CC=CC2)CC1 ZINC000076997680 426119775 /nfs/dbraw/zinc/11/97/75/426119775.db2.gz ZPZRHBZVRPJLEP-UHFFFAOYSA-N -1 1 306.435 2.633 20 0 DFADMM COc1cc([N-]S(=O)(=O)c2ccccc2C)cc(OC)c1 ZINC000112333583 426073555 /nfs/dbraw/zinc/07/35/55/426073555.db2.gz QEIPZASFGXHKDJ-UHFFFAOYSA-N -1 1 307.371 2.813 20 0 DFADMM Cc1ccc(OC2CCN(C(=O)c3ncccc3[O-])CC2)cc1 ZINC000116980907 426204115 /nfs/dbraw/zinc/20/41/15/426204115.db2.gz JRLINXXNGMQACW-UHFFFAOYSA-N -1 1 312.369 2.779 20 0 DFADMM CC[C@@H](C)C(=O)Nc1nc(Cc2n[n-]c(=S)n2C)cs1 ZINC000170688374 426145231 /nfs/dbraw/zinc/14/52/31/426145231.db2.gz DLIVTXJZTWJSHA-SSDOTTSWSA-N -1 1 311.436 2.510 20 0 DFADMM CC(C)([N-]S(=O)(=O)c1c(F)cccc1F)c1nccs1 ZINC000116377019 426187440 /nfs/dbraw/zinc/18/74/40/426187440.db2.gz RZXPULCYNMSWKF-UHFFFAOYSA-N -1 1 318.370 2.635 20 0 DFADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCc2ccccc2C1 ZINC000079094929 426189307 /nfs/dbraw/zinc/18/93/07/426189307.db2.gz FRCPLRCOUTYEKO-UHFFFAOYSA-N -1 1 305.337 2.534 20 0 DFADMM O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000081938905 426227697 /nfs/dbraw/zinc/22/76/97/426227697.db2.gz KZDWTGGSRXEVHZ-ZDUSSCGKSA-N -1 1 314.360 2.788 20 0 DFADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1CSc2ccccc21 ZINC000118318622 426232601 /nfs/dbraw/zinc/23/26/01/426232601.db2.gz LVUIBTVVJNPQMA-SSDOTTSWSA-N -1 1 314.292 2.652 20 0 DFADMM CCC[C@@H](NC(=O)c1ccc(OC(C)(C)C)cc1)c1nn[n-]n1 ZINC000136664178 426243871 /nfs/dbraw/zinc/24/38/71/426243871.db2.gz KZLNSXNUGKNDAU-CYBMUJFWSA-N -1 1 317.393 2.648 20 0 DFADMM COC[C@H](NC(=O)c1ccc(Br)cc1[O-])C(C)C ZINC000086702570 426260896 /nfs/dbraw/zinc/26/08/96/426260896.db2.gz PBWBBJYQKFWVGC-NSHDSACASA-N -1 1 316.195 2.556 20 0 DFADMM COC[C@@H](NC(=O)c1ccc(Br)cc1[O-])C(C)C ZINC000086702567 426260905 /nfs/dbraw/zinc/26/09/05/426260905.db2.gz PBWBBJYQKFWVGC-LLVKDONJSA-N -1 1 316.195 2.556 20 0 DFADMM CC(C)CC1(CNC(=O)c2nc3ccccc3c(=O)[n-]2)CCC1 ZINC000150812709 426262241 /nfs/dbraw/zinc/26/22/41/426262241.db2.gz NORKVTRVQQEPFO-UHFFFAOYSA-N -1 1 313.401 2.869 20 0 DFADMM Cc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1O ZINC000174739468 426263447 /nfs/dbraw/zinc/26/34/47/426263447.db2.gz GEHRXXWUSRGZAB-UHFFFAOYSA-N -1 1 317.288 2.919 20 0 DFADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC[C@@H]1CC(C)(C)C)c2=O ZINC000119191469 426269595 /nfs/dbraw/zinc/26/95/95/426269595.db2.gz QUEZDUXAZGYMEO-LLVKDONJSA-N -1 1 316.405 2.715 20 0 DFADMM CC(C)[C@H](C(=O)NCCc1n[n-]c(=S)n1C)c1ccccc1 ZINC000080038512 426211102 /nfs/dbraw/zinc/21/11/02/426211102.db2.gz IVDXECBHZZPBLM-AWEZNQCLSA-N -1 1 318.446 2.576 20 0 DFADMM O=S(=O)(C[C@H]1CCCO1)[N-]c1cc(Cl)cc(Cl)c1 ZINC000171802798 426212697 /nfs/dbraw/zinc/21/26/97/426212697.db2.gz XNZMXVOQYZHTOD-LLVKDONJSA-N -1 1 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/nfs/dbraw/zinc/23/24/33/427232433.db2.gz SEQUDAIMICCFGZ-UHFFFAOYSA-N -1 1 306.362 2.651 20 0 DFADMM Cn1cncc1[C@H]1C[C@@H]([NH2+]Cc2cccc([O-])c2Cl)CCO1 ZINC000293200340 427244424 /nfs/dbraw/zinc/24/44/24/427244424.db2.gz IQHNXWNHABHSQH-SWLSCSKDSA-N -1 1 321.808 2.789 20 0 DFADMM O=c1[nH]c(C=Cc2cc(F)c([O-])c(F)c2)nc2cnccc12 ZINC000255217645 427249383 /nfs/dbraw/zinc/24/93/83/427249383.db2.gz UWJLYORDSAFEMG-UPHRSURJSA-N -1 1 301.252 2.885 20 0 DFADMM CC(C)(C)C[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000330545026 427262204 /nfs/dbraw/zinc/26/22/04/427262204.db2.gz ZKPZUHNAIZAYSZ-JTQLQIEISA-N -1 1 323.817 2.555 20 0 DFADMM C[C@@H](NC(=O)c1c([O-])cnc2ccc(Cl)cc21)[C@H]1CCCO1 ZINC000338340060 427265416 /nfs/dbraw/zinc/26/54/16/427265416.db2.gz VYUIZRUDQVVTSK-YMTOWFKASA-N -1 1 320.776 2.891 20 0 DFADMM CCC[C@@H](NC(=O)Cc1ccc(SCC)cc1)c1nn[n-]n1 ZINC000269755764 427270836 /nfs/dbraw/zinc/27/08/36/427270836.db2.gz GQGDXSCOIHTOFW-CYBMUJFWSA-N -1 1 319.434 2.512 20 0 DFADMM CC[C@H](CCO)CNC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000338416511 427309491 /nfs/dbraw/zinc/30/94/91/427309491.db2.gz QAYJTHDPQJFMAS-SNVBAGLBSA-N -1 1 322.792 2.732 20 0 DFADMM [O-]c1ccc(-c2nc([C@@H]3CN4CCC[C@@H]4CO3)no2)cc1Cl ZINC000277775049 427313892 /nfs/dbraw/zinc/31/38/92/427313892.db2.gz DZBJZDJJOKKGIM-MFKMUULPSA-N -1 1 321.764 2.631 20 0 DFADMM CC[C@H](C)c1nc([C@H](C)NC(=O)c2ccc(F)cc2[O-])n[nH]1 ZINC000277787070 427320192 /nfs/dbraw/zinc/32/01/92/427320192.db2.gz JPQLCWJOZZYJNQ-IUCAKERBSA-N -1 1 306.341 2.654 20 0 DFADMM Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)Nc1ccc(F)cc1[O-] ZINC000270335883 427323734 /nfs/dbraw/zinc/32/37/34/427323734.db2.gz AHALBOTXTYOLSD-UHFFFAOYSA-N -1 1 319.336 2.885 20 0 DFADMM CCCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(F)cc1[O-] ZINC000270354262 427329868 /nfs/dbraw/zinc/32/98/68/427329868.db2.gz HGJZVDZSNDLFFJ-ZDUSSCGKSA-N -1 1 308.353 2.651 20 0 DFADMM O=C(N[C@H]1CCO[C@H](c2cccnc2)C1)c1c([O-])cccc1F ZINC000297121440 427336777 /nfs/dbraw/zinc/33/67/77/427336777.db2.gz SSLFNFUPSYUHDO-WFASDCNBSA-N -1 1 316.332 2.576 20 0 DFADMM CC1(C)OCC(C)(c2nc(-c3ccc([O-])c(F)c3)no2)CO1 ZINC000277880842 427348727 /nfs/dbraw/zinc/34/87/27/427348727.db2.gz CIMXEFKLMGKZBY-UHFFFAOYSA-N -1 1 308.309 2.622 20 0 DFADMM Cc1cccc(OCC[N-]S(=O)(=O)c2sccc2F)c1 ZINC000338852768 271604721 /nfs/dbraw/zinc/60/47/21/271604721.db2.gz WAHSAVZHMHFTNY-UHFFFAOYSA-N -1 1 315.391 2.553 20 0 DFADMM Cc1nc(S[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)[n-]c(=O)c1C ZINC000330684542 427291925 /nfs/dbraw/zinc/29/19/25/427291925.db2.gz SPOWVEUJAZERFB-ZWKOPEQDSA-N -1 1 323.462 2.975 20 0 DFADMM C[C@@H](O)C[C@H](C)CNC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000338389127 427295152 /nfs/dbraw/zinc/29/51/52/427295152.db2.gz NXWXXGHIGQPZHW-VHSXEESVSA-N -1 1 322.792 2.731 20 0 DFADMM COC(=O)c1ccc([O-])c(NC(=O)c2nc(C(C)C)oc2C)c1 ZINC000285972486 427390493 /nfs/dbraw/zinc/39/04/93/427390493.db2.gz OGKOZZDHQLUYIK-UHFFFAOYSA-N -1 1 318.329 2.851 20 0 DFADMM CCOc1cc(-c2noc(C3(O)CCC3)n2)cc(Cl)c1[O-] ZINC000278073954 427397406 /nfs/dbraw/zinc/39/74/06/427397406.db2.gz NEECCPAPKKPJRT-UHFFFAOYSA-N -1 1 310.737 2.866 20 0 DFADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(-c2ncon2)cc1 ZINC000340091218 271707120 /nfs/dbraw/zinc/70/71/20/271707120.db2.gz LWRYROYVKYTTEX-UHFFFAOYSA-N -1 1 315.354 2.846 20 0 DFADMM CNC(=O)CC[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000286247716 427466410 /nfs/dbraw/zinc/46/64/10/427466410.db2.gz PSHFSIISCVXJBR-LBPRGKRZSA-N -1 1 324.808 2.567 20 0 DFADMM C[C@H](CN(C)Cc1nn(-c2ccccc2)c2c1CCC2)C(=O)[O-] ZINC000263362876 427471123 /nfs/dbraw/zinc/47/11/23/427471123.db2.gz SKHASSRSFMYJOX-CYBMUJFWSA-N -1 1 313.401 2.514 20 0 DFADMM CCOc1ccc(C(C)=O)cc1CN([C@H](C)C(=O)[O-])C1CC1 ZINC000263363019 427471517 /nfs/dbraw/zinc/47/15/17/427471517.db2.gz UYNGDEMQTDSWGX-LLVKDONJSA-N -1 1 305.374 2.725 20 0 DFADMM O=C([O-])[C@H]1CCCN(Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000263382066 427476663 /nfs/dbraw/zinc/47/66/63/427476663.db2.gz BWYRRWUFNNTWBT-JTQLQIEISA-N -1 1 303.280 2.708 20 0 DFADMM O=C([O-])[C@]1(NCc2ccc(-c3cccc(F)c3)s2)CCOC1 ZINC000340674872 271744390 /nfs/dbraw/zinc/74/43/90/271744390.db2.gz YEVFXBCJBQTLII-INIZCTEOSA-N -1 1 321.373 2.888 20 0 DFADMM O=C([O-])[C@@]1(NCc2ccc(-c3cccc(F)c3)s2)CCOC1 ZINC000340674879 271744623 /nfs/dbraw/zinc/74/46/23/271744623.db2.gz YEVFXBCJBQTLII-MRXNPFEDSA-N -1 1 321.373 2.888 20 0 DFADMM CO[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000340914991 271757359 /nfs/dbraw/zinc/75/73/59/271757359.db2.gz VHDLBADZGRVBQX-NEPJUHHUSA-N -1 1 321.801 2.715 20 0 DFADMM Cc1nnsc1CNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000293792888 427437671 /nfs/dbraw/zinc/43/76/71/427437671.db2.gz WYZCJESZAFKPOJ-UHFFFAOYSA-N -1 1 317.292 2.501 20 0 DFADMM O=C(N[C@@H]1CCCc2cn[nH]c21)c1cc(F)c([O-])c(Cl)c1 ZINC000278441721 427439483 /nfs/dbraw/zinc/43/94/83/427439483.db2.gz FGCXPTVEHFDURY-LLVKDONJSA-N -1 1 309.728 2.715 20 0 DFADMM Cc1cnc(C(=O)N2C[C@@H](c3ccccc3)OC[C@@H]2C)c([O-])c1 ZINC000331571757 427447020 /nfs/dbraw/zinc/44/70/20/427447020.db2.gz PZTZKUGCGHEMTI-BBRMVZONSA-N -1 1 312.369 2.698 20 0 DFADMM COc1ccc(OC(F)F)c(CN2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000263451708 427492830 /nfs/dbraw/zinc/49/28/30/427492830.db2.gz ZXMOFEPHYCGLTR-SNVBAGLBSA-N -1 1 315.316 2.593 20 0 DFADMM NC(=O)c1ccc(F)c(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000192204832 427502178 /nfs/dbraw/zinc/50/21/78/427502178.db2.gz DQVMVBJLTJVZHW-UHFFFAOYSA-N -1 1 323.711 2.928 20 0 DFADMM O=C([O-])CCCCN1CCN(c2ccc(F)cc2Cl)CC1 ZINC000263559942 427518880 /nfs/dbraw/zinc/51/88/80/427518880.db2.gz BGTIUXFPBATKIN-UHFFFAOYSA-N -1 1 314.788 2.856 20 0 DFADMM C[C@H](CCc1ccco1)[N-]S(=O)(=O)c1sccc1F ZINC000338852053 427523103 /nfs/dbraw/zinc/52/31/03/427523103.db2.gz PESMGLODKLAQIQ-SECBINFHSA-N -1 1 303.380 2.780 20 0 DFADMM C[C@@H](Cc1ccccc1F)[N-]S(=O)(=O)c1sccc1F ZINC000338872846 427531009 /nfs/dbraw/zinc/53/10/09/427531009.db2.gz MSFSWAZNAFFQRJ-VIFPVBQESA-N -1 1 317.382 2.936 20 0 DFADMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@H]1CF ZINC000294080497 427543092 /nfs/dbraw/zinc/54/30/92/427543092.db2.gz NHEFDBGKRWXMLI-VIFPVBQESA-N -1 1 302.143 2.729 20 0 DFADMM C[C@H](CCc1ccc(O)cc1)NC(=O)c1c([O-])cccc1F ZINC000184947418 427566407 /nfs/dbraw/zinc/56/64/07/427566407.db2.gz VOPCFZJARLHPFQ-LLVKDONJSA-N -1 1 303.333 2.988 20 0 DFADMM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000287316022 427575536 /nfs/dbraw/zinc/57/55/36/427575536.db2.gz CZOAGSREMBUODR-CJNGLKHVSA-N -1 1 309.365 2.980 20 0 DFADMM CSc1ccccc1C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000332347819 427587055 /nfs/dbraw/zinc/58/70/55/427587055.db2.gz SAONQGVFWSOGTM-JTQLQIEISA-N -1 1 319.386 2.517 20 0 DFADMM CCC[C@H](N[C@H](C)C(=O)Nc1ccc(SC)cc1)C(=O)[O-] ZINC000185050263 427587802 /nfs/dbraw/zinc/58/78/02/427587802.db2.gz QKYGGHWAISOTFD-MFKMUULPSA-N -1 1 310.419 2.578 20 0 DFADMM O=S(=O)([N-][C@H]1C[C@H]1c1ccc(F)cc1)c1sccc1F ZINC000338971312 427598890 /nfs/dbraw/zinc/59/88/90/427598890.db2.gz DKWLHSMOWCKPDB-JQWIXIFHSA-N -1 1 315.366 2.861 20 0 DFADMM Cc1nc(S(=O)(=O)[N-]C2CC(C(C)(C)C)C2)sc1C ZINC000339022645 427632688 /nfs/dbraw/zinc/63/26/88/427632688.db2.gz QALBIKCYFLUZIE-UHFFFAOYSA-N -1 1 302.465 2.863 20 0 DFADMM CN1C(=O)CC[C@H](C(=O)[N-]OC2CCCC2)[C@@H]1c1ccccc1 ZINC000272098235 427633242 /nfs/dbraw/zinc/63/32/42/427633242.db2.gz KVYUFLWILPFZER-RDJZCZTQSA-N -1 1 316.401 2.587 20 0 DFADMM Cc1cc2c([n-]c([C@@H]3COc4ccccc4O3)nc2=O)s1 ZINC000192954785 427640248 /nfs/dbraw/zinc/64/02/48/427640248.db2.gz RTGULDHHCLGICL-LBPRGKRZSA-N -1 1 300.339 2.806 20 0 DFADMM C[C@H](C[C@H](O)c1cccs1)NC(=O)c1c([O-])cccc1F ZINC000185493544 427663308 /nfs/dbraw/zinc/66/33/08/427663308.db2.gz VRXVGUBAMQDTQJ-SKDRFNHKSA-N -1 1 309.362 2.835 20 0 DFADMM CC(C)C[C@H]1C[C@@H](N=c2nc(C(F)(F)F)[n-]s2)CCO1 ZINC000342928773 272067636 /nfs/dbraw/zinc/06/76/36/272067636.db2.gz CQHNTJZBZUKWQG-IUCAKERBSA-N -1 1 309.357 2.984 20 0 DFADMM O=C(c1c(F)ccc([O-])c1F)N1CCC=C(c2ccncc2)C1 ZINC000343586672 272177472 /nfs/dbraw/zinc/17/74/72/272177472.db2.gz DPIACQQBXQPOLB-UHFFFAOYSA-N -1 1 316.307 2.995 20 0 DFADMM CCC(CC)(CNC(=O)c1ccc2n[n-]c(=S)n2c1)SC ZINC000295055825 427676081 /nfs/dbraw/zinc/67/60/81/427676081.db2.gz SZMMWJRFWSTAEM-UHFFFAOYSA-N -1 1 324.475 2.670 20 0 DFADMM CCc1noc(CC)c1CNC(=O)c1c(F)ccc([O-])c1F ZINC000343756110 272213150 /nfs/dbraw/zinc/21/31/50/272213150.db2.gz AKNWKNVPSDOERV-UHFFFAOYSA-N -1 1 310.300 2.713 20 0 DFADMM CO[C@H](CNC(=O)c1ccc(Br)c([O-])c1)C(C)C ZINC000344114873 272266996 /nfs/dbraw/zinc/26/69/96/272266996.db2.gz LZVOELLLAOCHEN-GFCCVEGCSA-N -1 1 316.195 2.556 20 0 DFADMM [O-]c1cccc(CNCc2nncn2-c2ccccc2)c1Cl ZINC000339183100 427721535 /nfs/dbraw/zinc/72/15/35/427721535.db2.gz XJKSYXTTWZTDAG-UHFFFAOYSA-N -1 1 314.776 2.916 20 0 DFADMM CCc1c(NC(=O)c2cncc([O-])c2)onc1C(F)(F)F ZINC000287764925 427686680 /nfs/dbraw/zinc/68/66/80/427686680.db2.gz GXBRZQGVJKFRSK-UHFFFAOYSA-N -1 1 301.224 2.609 20 0 DFADMM COc1ccc(/C=C(\C)C(=O)[N-]O[C@@H]2CCCCO2)cc1F ZINC000185725252 427697226 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COCCn1cc([N-]c2nn3cc(C(C)(C)C)nc3s2)cn1 ZINC000301098474 427775266 /nfs/dbraw/zinc/77/52/66/427775266.db2.gz KBUVKTQQFUGODJ-UHFFFAOYSA-N -1 1 320.422 2.675 20 0 DFADMM O=C1COc2cc(NCc3cccc([O-])c3Cl)ccc2N1 ZINC000339192825 427725997 /nfs/dbraw/zinc/72/59/97/427725997.db2.gz KDLKMCHYFHARMN-UHFFFAOYSA-N -1 1 304.733 2.989 20 0 DFADMM O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1cnn[nH]1 ZINC000194145421 427732910 /nfs/dbraw/zinc/73/29/10/427732910.db2.gz VNVVANLVBWTCKA-HNNXBMFYSA-N -1 1 312.760 2.978 20 0 DFADMM O=C(CNCc1cccc([O-])c1Cl)Nc1cccc(F)c1 ZINC000339212184 427733875 /nfs/dbraw/zinc/73/38/75/427733875.db2.gz BRSVANULIVGYAL-UHFFFAOYSA-N -1 1 308.740 2.913 20 0 DFADMM Cc1cccc2nc(-c3ccc(N4CCOCC4)nc3)[n-]c(=O)c12 ZINC000339572545 427794697 /nfs/dbraw/zinc/79/46/97/427794697.db2.gz XEQDBPRAXSKAOF-UHFFFAOYSA-N -1 1 322.368 2.542 20 0 DFADMM COc1cncc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000337131228 427802705 /nfs/dbraw/zinc/80/27/05/427802705.db2.gz JRYBAJMMLNJYEZ-UHFFFAOYSA-N -1 1 316.741 2.684 20 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CC(C)(C)OC(=O)NCC1(C(=O)[N-]OCC2CC2)CCCC1 ZINC000495841321 429276616 /nfs/dbraw/zinc/27/66/16/429276616.db2.gz HCWINTFURPJCCO-UHFFFAOYSA-N -1 1 312.410 2.529 20 0 DFADMM CCn1ccnc1[C@@H](C)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000456381132 429294361 /nfs/dbraw/zinc/29/43/61/429294361.db2.gz JVZWZBJQQMIFHS-SECBINFHSA-N -1 1 323.780 2.762 20 0 DFADMM O=C(/C=C/c1ccc(Br)o1)[N-]O[C@H]1CCCCO1 ZINC000491353669 429351458 /nfs/dbraw/zinc/35/14/58/429351458.db2.gz YKOBULUDMCKRIO-PZBABLGHSA-N -1 1 316.151 2.630 20 0 DFADMM O=C([N-]c1cc(-c2cccc(Cl)c2)on1)c1cnns1 ZINC000366003241 429409931 /nfs/dbraw/zinc/40/99/31/429409931.db2.gz XOKSBZOCVUDOSX-UHFFFAOYSA-N -1 1 306.734 3.099 20 0 DFADMM C[C@H]1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2[O-])O1 ZINC000457348841 429447431 /nfs/dbraw/zinc/44/74/31/429447431.db2.gz BSHNLHPFODFMFG-WPRPVWTQSA-N -1 1 303.280 2.708 20 0 DFADMM Cc1ccc2nc([N-]S(=O)(=O)c3ccccc3C)[nH]c2c1 ZINC000427658285 429463024 /nfs/dbraw/zinc/46/30/24/429463024.db2.gz XAVQGJFLCNYANT-UHFFFAOYSA-N -1 1 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/nfs/dbraw/zinc/50/46/97/429504697.db2.gz TVOPCYQRINJEBT-GQCTYLIASA-N -1 1 309.728 2.879 20 0 DFADMM Cc1cnc(C(=O)N2CC[C@@]3(C2)CCc2ccccc2O3)c([O-])c1 ZINC000520314443 429509353 /nfs/dbraw/zinc/50/93/53/429509353.db2.gz WFPCXFLGCBBYHQ-LJQANCHMSA-N -1 1 324.380 2.706 20 0 DFADMM CO[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000449805337 429515715 /nfs/dbraw/zinc/51/57/15/429515715.db2.gz VMXZRNBYWYCWEY-UKRRQHHQSA-N -1 1 315.373 2.926 20 0 DFADMM Cc1ccc(CC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)cc1C ZINC000428732843 429549665 /nfs/dbraw/zinc/54/96/65/429549665.db2.gz ODLAZNWRWFPJLE-UHFFFAOYSA-N -1 1 300.406 2.582 20 0 DFADMM CCc1ccc([C@H]2CN(CC3(CC(=O)[O-])CC3)CCO2)cc1 ZINC000521633940 429560498 /nfs/dbraw/zinc/56/04/98/429560498.db2.gz FMAJTVZERHBEHP-MRXNPFEDSA-N -1 1 303.402 2.877 20 0 DFADMM O=C([O-])c1coc(CN2CCC[C@H](Cc3ccccc3)C2)n1 ZINC000521633489 429561283 /nfs/dbraw/zinc/56/12/83/429561283.db2.gz CLACRYUFOWZHJD-CQSZACIVSA-N -1 1 300.358 2.828 20 0 DFADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCC[C@H]1c1ccccc1 ZINC000367348176 429626328 /nfs/dbraw/zinc/62/63/28/429626328.db2.gz FKLGFYLIYIONRI-AWEZNQCLSA-N -1 1 324.409 2.995 20 0 DFADMM COC(=O)c1ccc([O-])c(NC(=O)/C=C\c2cncc(C)c2)c1 ZINC000492858479 429630568 /nfs/dbraw/zinc/63/05/68/429630568.db2.gz LKQBWTORNUDZON-UTCJRWHESA-N -1 1 312.325 2.534 20 0 DFADMM Cc1nc(-c2ccc(NCCOC(C)(C)C)nc2)[n-]c(=O)c1C ZINC000524689735 429631230 /nfs/dbraw/zinc/63/12/30/429631230.db2.gz OGLWIGHKNXYRPR-UHFFFAOYSA-N -1 1 316.405 3.088 20 0 DFADMM CN(C/C=C\C(=O)Nc1ccc(F)cc1[O-])CC(F)(F)F ZINC000492870381 429634144 /nfs/dbraw/zinc/63/41/44/429634144.db2.gz RZIVNDSHFVMUOW-IHWYPQMZSA-N -1 1 306.259 2.520 20 0 DFADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCC[C@H]1c1ccco1 ZINC000367397986 429640452 /nfs/dbraw/zinc/64/04/52/429640452.db2.gz BCMLFWWRTXCTEP-NSHDSACASA-N -1 1 314.370 2.588 20 0 DFADMM C[C@@H](Cc1ccsc1)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000523110257 429600167 /nfs/dbraw/zinc/60/01/67/429600167.db2.gz LNODAVASGNWEBC-VIFPVBQESA-N 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309.316 3.399 20 0 DFADMM CCc1[nH]nc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c1C ZINC000578142333 430118265 /nfs/dbraw/zinc/11/82/65/430118265.db2.gz HPGCJFXAAXCICB-UHFFFAOYSA-N -1 1 313.279 3.257 20 0 DFADMM CC1(C)CN(Cc2cc(C(=O)[O-])ccc2Cl)[C@@H]2COC[C@@H]21 ZINC000580652878 430142826 /nfs/dbraw/zinc/14/28/26/430142826.db2.gz MNKRXBMHEHZDLL-GXTWGEPZSA-N -1 1 309.793 2.895 20 0 DFADMM Cc1ccc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c2ccccc12 ZINC000581178595 430184740 /nfs/dbraw/zinc/18/47/40/430184740.db2.gz ZPAMUOMPVBQBBV-LBPRGKRZSA-N -1 1 309.373 2.537 20 0 DFADMM O=C(N[C@H]1C[C@@H]1c1ccccc1OC(F)F)c1cncc([O-])c1 ZINC000581196025 430186572 /nfs/dbraw/zinc/18/65/72/430186572.db2.gz BBXAMYAGSJHFEV-OLZOCXBDSA-N -1 1 320.295 2.675 20 0 DFADMM COc1cccc(-c2nc(CN3CCC(C(=O)[O-])CC3)co2)c1 ZINC000635015348 430197741 /nfs/dbraw/zinc/19/77/41/430197741.db2.gz NITVNTKMCRVHRW-UHFFFAOYSA-N -1 1 316.357 2.647 20 0 DFADMM Cc1ccc([C@@H](C)N(C)Cc2cc(C(=O)[O-])nn2C)c(C)c1 ZINC000635300553 430247343 /nfs/dbraw/zinc/24/73/43/430247343.db2.gz UNMCVRGJQVHPQV-CYBMUJFWSA-N -1 1 301.390 2.928 20 0 DFADMM Cn1nc(C(=O)[O-])cc1CN(C1CC1)[C@H]1CCc2ccccc21 ZINC000635298947 430247543 /nfs/dbraw/zinc/24/75/43/430247543.db2.gz KYCBNTIIDXYZLH-KRWDZBQOSA-N -1 1 311.385 2.770 20 0 DFADMM Cc1ccc(C[C@H]2CCCN2Cc2nc(C(=O)[O-])co2)cc1 ZINC000581889120 430248890 /nfs/dbraw/zinc/24/88/90/430248890.db2.gz HHHUKYHZTIDQSR-CQSZACIVSA-N -1 1 300.358 2.888 20 0 DFADMM Cc1[nH]c2ccc(CNCc3cc(C(=O)[O-])nn3C)cc2c1C ZINC000635306466 430251414 /nfs/dbraw/zinc/25/14/14/430251414.db2.gz VJBXWVKNIQMVDZ-UHFFFAOYSA-N -1 1 312.373 2.506 20 0 DFADMM Cn1nc(C(=O)[O-])cc1CN[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000635312060 430252393 /nfs/dbraw/zinc/25/23/93/430252393.db2.gz WVUVKSIJKSLTON-CQSZACIVSA-N -1 1 321.327 2.564 20 0 DFADMM O=C([O-])[C@H](C1CC1)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000566361763 430253448 /nfs/dbraw/zinc/25/34/48/430253448.db2.gz NFXASNPBPDMPON-KBPBESRZSA-N -1 1 313.756 2.716 20 0 DFADMM C[C@@H](c1cn(-c2ccccc2)nn1)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000566357639 430253500 /nfs/dbraw/zinc/25/35/00/430253500.db2.gz GSTUDJIRAKUHSS-GUYCJALGSA-N -1 1 314.389 2.515 20 0 DFADMM CC(C)(C)c1ncc(CNC2(c3nnn[n-]3)CCCC2)s1 ZINC000543710590 430259340 /nfs/dbraw/zinc/25/93/40/430259340.db2.gz RLVFMYCVBQTXAU-UHFFFAOYSA-N -1 1 306.439 2.513 20 0 DFADMM CC(C)(C)c1ncc(CNC2(c3nn[n-]n3)CCCC2)s1 ZINC000543710590 430259344 /nfs/dbraw/zinc/25/93/44/430259344.db2.gz RLVFMYCVBQTXAU-UHFFFAOYSA-N -1 1 306.439 2.513 20 0 DFADMM CO[C@H](CS(=O)(=O)[N-]c1cc(Cl)ccc1F)C1CC1 ZINC000582062012 430265955 /nfs/dbraw/zinc/26/59/55/430265955.db2.gz KHWASAZAQHCYGP-GFCCVEGCSA-N -1 1 307.774 2.646 20 0 DFADMM O=C([O-])c1csc(CN(C[C@@H]2CCCO2)C2CCCC2)n1 ZINC000582068157 430266225 /nfs/dbraw/zinc/26/62/25/430266225.db2.gz ZEFBLJYIUQACNT-LBPRGKRZSA-N -1 1 310.419 2.765 20 0 DFADMM CC[C@H]1CCCC[C@H]1C(=O)NCc1cc(=O)[n-]c(SC)n1 ZINC000640655594 430226401 /nfs/dbraw/zinc/22/64/01/430226401.db2.gz OEJSVYGKGPRDLJ-CMPLNLGQSA-N -1 1 309.435 2.737 20 0 DFADMM CN(C(=O)c1cccc2nn[nH]c21)C1C2CC3CC(C2)CC1C3 ZINC000542821123 430228847 /nfs/dbraw/zinc/22/88/47/430228847.db2.gz PALFESULYYXWFV-UHFFFAOYSA-N -1 1 310.401 2.855 20 0 DFADMM CC1CC(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)C1 ZINC000565875049 430230907 /nfs/dbraw/zinc/23/09/07/430230907.db2.gz QWKIUDIGCAKTEH-UHFFFAOYSA-N -1 1 306.753 2.815 20 0 DFADMM CC1CC(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)C1 ZINC000565875049 430230910 /nfs/dbraw/zinc/23/09/10/430230910.db2.gz QWKIUDIGCAKTEH-UHFFFAOYSA-N -1 1 306.753 2.815 20 0 DFADMM Cc1cc([C@@H](C)N2CCC(c3nc(C)no3)CC2)oc1C(=O)[O-] ZINC000582490583 430304712 /nfs/dbraw/zinc/30/47/12/430304712.db2.gz IMYHAGHDAYCNKG-SNVBAGLBSA-N -1 1 319.361 2.918 20 0 DFADMM CO[C@@H]1C[C@@H](CC(=O)[O-])N(Cc2ccc(Cl)cc2F)C1 ZINC000568072595 430312385 /nfs/dbraw/zinc/31/23/85/430312385.db2.gz HTEQOYUFSKCSGW-NWDGAFQWSA-N -1 1 301.745 2.543 20 0 DFADMM Oc1cc(F)cc(C[NH2+]Cc2cnn(CC(F)(F)F)c2)c1 ZINC000545315336 430313928 /nfs/dbraw/zinc/31/39/28/430313928.db2.gz ZDNQWHDKDCTGFW-UHFFFAOYSA-N -1 1 303.259 2.580 20 0 DFADMM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1csc(N(C)C2CC2)n1 ZINC000582914403 430346690 /nfs/dbraw/zinc/34/66/90/430346690.db2.gz AZWKLZDZJKGQCH-SUNKGSAMSA-N -1 1 323.462 2.815 20 0 DFADMM O=C([O-])COCCN1CCC[C@H]1c1nc2ccccc2s1 ZINC000582909202 430347661 /nfs/dbraw/zinc/34/76/61/430347661.db2.gz ILBKXTIWWQYOAB-LBPRGKRZSA-N -1 1 306.387 2.534 20 0 DFADMM COCc1cnc([N-]C(=O)c2ocnc2C(F)(F)F)s1 ZINC000635918700 430411553 /nfs/dbraw/zinc/41/15/53/430411553.db2.gz SPJNNQVLYVHBNW-UHFFFAOYSA-N -1 1 307.253 2.549 20 0 DFADMM Cc1sc(NC(=O)CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)c(C)c1C ZINC000583630459 430413627 /nfs/dbraw/zinc/41/36/27/430413627.db2.gz CZDWEBDOKBHNSF-ZANVPECISA-N -1 1 324.446 2.654 20 0 DFADMM CC(C)C[N@@H+](CCC(=O)[O-])Cc1ccn(-c2ccccc2)n1 ZINC000583089210 430363016 /nfs/dbraw/zinc/36/30/16/430363016.db2.gz AQSFPTLDXQBKFT-UHFFFAOYSA-N -1 1 301.390 2.805 20 0 DFADMM CCOCC[N@H+](Cc1ccc(C(=O)[O-])o1)CC1CC(F)(F)C1 ZINC000583089638 430363470 /nfs/dbraw/zinc/36/34/70/430363470.db2.gz KAWXGONEPRUAEM-UHFFFAOYSA-N -1 1 317.332 2.862 20 0 DFADMM Cc1oc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)cc1C(=O)[O-] ZINC000568521360 430366457 /nfs/dbraw/zinc/36/64/57/430366457.db2.gz WPNYNWBOBKBVEA-AWEZNQCLSA-N -1 1 301.342 2.940 20 0 DFADMM Cc1oc(CN2CC[C@H](Oc3ccccc3)C2)cc1C(=O)[O-] ZINC000568521360 430366461 /nfs/dbraw/zinc/36/64/61/430366461.db2.gz WPNYNWBOBKBVEA-AWEZNQCLSA-N -1 1 301.342 2.940 20 0 DFADMM C[C@@H]1CN(Cc2oc(-c3ccccc3)nc2C(=O)[O-])CCS1 ZINC000568641449 430377406 /nfs/dbraw/zinc/37/74/06/430377406.db2.gz KVURAYYJUYXMJL-LLVKDONJSA-N -1 1 318.398 2.977 20 0 DFADMM O=C(NCc1noc(-c2cccs2)n1)c1cc(F)ccc1[O-] ZINC000583279102 430381515 /nfs/dbraw/zinc/38/15/15/430381515.db2.gz IJDXGGAHOHVFPG-UHFFFAOYSA-N -1 1 319.317 2.573 20 0 DFADMM CC(C)(C)[C@H]1CN(C(=O)CCCc2nn[n-]n2)c2ccccc21 ZINC000635861548 430397774 /nfs/dbraw/zinc/39/77/74/430397774.db2.gz GJZCDTRRPLJVOL-ZDUSSCGKSA-N -1 1 313.405 2.699 20 0 DFADMM CCOC(=O)[C@@H](Cc1ccccc1)Sc1ncc(C)c(=O)[n-]1 ZINC000583510750 430403149 /nfs/dbraw/zinc/40/31/49/430403149.db2.gz BZVIYSJWTWCNTL-CYBMUJFWSA-N -1 1 318.398 2.757 20 0 DFADMM CCCC[C@@H](C(=O)[O-])N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000568890997 430403844 /nfs/dbraw/zinc/40/38/44/430403844.db2.gz QZMKOPBWIMIKTO-GJZGRUSLSA-N -1 1 313.344 2.982 20 0 DFADMM Fc1ccc2nc(CNC3(c4nn[n-]n4)CCCC3)sc2c1 ZINC000583909142 430439041 /nfs/dbraw/zinc/43/90/41/430439041.db2.gz GLAADJYDRICVBH-UHFFFAOYSA-N -1 1 318.381 2.508 20 0 DFADMM COCC1(S(=O)(=O)[N-]c2ccc3oc(C(C)C)nc3c2)CC1 ZINC000641679758 430440531 /nfs/dbraw/zinc/44/05/31/430440531.db2.gz BPIMSPGMKCYQHH-UHFFFAOYSA-N -1 1 324.402 2.872 20 0 DFADMM COc1ncccc1[N-]S(=O)(=O)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000641683180 430441800 /nfs/dbraw/zinc/44/18/00/430441800.db2.gz VRJNPUJBQGEPQB-JSGCOSHPSA-N -1 1 322.361 2.527 20 0 DFADMM COCC1(S(=O)(=O)[N-]c2ccccc2C(C)(F)F)CC1 ZINC000641689340 430442913 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O=C(c1cc(F)cc2nn[nH]c21)N1CCSC2(CCC2)CC1 ZINC000569210228 430432031 /nfs/dbraw/zinc/43/20/31/430432031.db2.gz GZIRNTVRGUOCGV-UHFFFAOYSA-N -1 1 320.393 2.599 20 0 DFADMM C[C@@H]1CCN(Cc2ccn(-c3ccc(F)cc3)n2)C[C@H]1C(=O)[O-] ZINC000569810335 430488463 /nfs/dbraw/zinc/48/84/63/430488463.db2.gz JKILSWRGRPROHO-MLGOLLRUSA-N -1 1 317.364 2.554 20 0 DFADMM O=C(NCCCCc1ccccc1)c1nc2ccccc2c(=O)[n-]1 ZINC000641984451 430493643 /nfs/dbraw/zinc/49/36/43/430493643.db2.gz STXVFTUMCIHLNZ-UHFFFAOYSA-N -1 1 321.380 2.676 20 0 DFADMM Cc1ncc2c(n1)CCN(C(=O)c1ccc3ccccc3c1[O-])C2 ZINC000642591574 430520706 /nfs/dbraw/zinc/52/07/06/430520706.db2.gz DQGSCBNRTBXYFD-UHFFFAOYSA-N -1 1 319.364 2.842 20 0 DFADMM CC(C)c1cc(C(=O)[N-]c2nnc([C@@H]3CCCO3)s2)no1 ZINC000636353515 430521752 /nfs/dbraw/zinc/52/17/52/430521752.db2.gz DXIBNSVDIUNGEY-VIFPVBQESA-N -1 1 308.363 2.753 20 0 DFADMM CCc1onc(C)c1C(=O)[N-]c1nnc([C@@H]2CCCO2)s1 ZINC000636359986 430522996 /nfs/dbraw/zinc/52/29/96/430522996.db2.gz SHXFHUVMYYSRLQ-VIFPVBQESA-N 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545513296 /nfs/dbraw/zinc/51/32/96/545513296.db2.gz HDCBYDINQUSIGC-UHFFFAOYSA-N -1 1 315.760 2.862 20 0 DFADMM FC(F)(F)COCc1noc(-c2cc(-c3ccco3)n[nH]2)n1 ZINC000680666828 545526358 /nfs/dbraw/zinc/52/63/58/545526358.db2.gz KJZCYALJUMRIDE-UHFFFAOYSA-N -1 1 314.223 2.799 20 0 DFADMM C[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000680977108 545574171 /nfs/dbraw/zinc/57/41/71/545574171.db2.gz VFMCUAACCRBPBR-UWVGGRQHSA-N -1 1 321.801 2.573 20 0 DFADMM O=C(NCCCn1cnc2ccccc21)c1ccc([O-])c(F)c1 ZINC000681016278 545581678 /nfs/dbraw/zinc/58/16/78/545581678.db2.gz KZLHTEZPZQPQRF-UHFFFAOYSA-N -1 1 313.332 2.701 20 0 DFADMM CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc([O-])c(F)c1 ZINC000681015984 545581836 /nfs/dbraw/zinc/58/18/36/545581836.db2.gz KCVASUSQCOBEBL-UHFFFAOYSA-N -1 1 303.289 2.532 20 0 DFADMM O=C(c1ccc([O-])c(F)c1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000681017252 545583095 /nfs/dbraw/zinc/58/30/95/545583095.db2.gz ZDMJUYRBXLYDNV-INIZCTEOSA-N -1 1 319.307 2.884 20 0 DFADMM CN(CCOCc1ccccc1)C(=O)c1ccc([O-])c(F)c1 ZINC000681056235 545590501 /nfs/dbraw/zinc/59/05/01/545590501.db2.gz XOQHBCMSULKAKP-UHFFFAOYSA-N -1 1 303.333 2.820 20 0 DFADMM O=C(NCCCOc1ccc(F)cc1)c1ccc([O-])c(F)c1 ZINC000681036565 545586275 /nfs/dbraw/zinc/58/62/75/545586275.db2.gz KMELCFINQCWGLL-UHFFFAOYSA-N -1 1 307.296 2.869 20 0 DFADMM COc1ccccc1OCCCNC(=O)c1ccc([O-])c(F)c1 ZINC000681041985 545587490 /nfs/dbraw/zinc/58/74/90/545587490.db2.gz HBKGPVBIZZWEFE-UHFFFAOYSA-N -1 1 319.332 2.739 20 0 DFADMM O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1ccc([O-])c(F)c1 ZINC000681044774 545588017 /nfs/dbraw/zinc/58/80/17/545588017.db2.gz JGCUACVQDARLAY-UHFFFAOYSA-N -1 1 315.304 2.527 20 0 DFADMM C[C@H](CC(=O)c1ccccc1)NC(=O)c1ccc([O-])c(F)c1 ZINC000681055638 545590002 /nfs/dbraw/zinc/59/00/02/545590002.db2.gz NSLJEEVTBVRZRG-LLVKDONJSA-N -1 1 301.317 2.923 20 0 DFADMM O=C([N-]c1nnc(-c2ccco2)s1)c1coc(C2CC2)n1 ZINC000681593015 545675576 /nfs/dbraw/zinc/67/55/76/545675576.db2.gz ZKDXLKSZDPKVFR-UHFFFAOYSA-N -1 1 302.315 2.916 20 0 DFADMM Cc1cnc(C(=O)N2Cc3ccccc3C(F)(F)C2)c([O-])c1 ZINC000681740403 545711271 /nfs/dbraw/zinc/71/12/71/545711271.db2.gz UPJFKBXLCHZHGX-UHFFFAOYSA-N -1 1 304.296 2.843 20 0 DFADMM COc1cc(C(=O)N2CC[C@H](C)[C@H](F)C2)cc(Cl)c1[O-] ZINC000682363166 545830643 /nfs/dbraw/zinc/83/06/43/545830643.db2.gz ADCVOGPCUQGFML-GZMMTYOYSA-N -1 1 301.745 2.874 20 0 DFADMM O=C(c1ccc([O-])cc1)C1CCN(c2ncncc2Cl)CC1 ZINC000682463960 545854791 /nfs/dbraw/zinc/85/47/91/545854791.db2.gz BMZJNDDGNUINSU-UHFFFAOYSA-N -1 1 317.776 2.935 20 0 DFADMM COc1nnc([N-]C(=O)c2csc(-c3ccoc3)n2)s1 ZINC000682680095 545896646 /nfs/dbraw/zinc/89/66/46/545896646.db2.gz ACHOTBMYNMCKPO-UHFFFAOYSA-N -1 1 308.344 2.516 20 0 DFADMM CSc1nsc([N-]C(=O)c2oc(CC3CC3)nc2C)n1 ZINC000682823961 545922363 /nfs/dbraw/zinc/92/23/63/545922363.db2.gz UUIHMHXJURFKTJ-UHFFFAOYSA-N -1 1 310.404 2.761 20 0 DFADMM Cc1[nH]nc(C(=O)Nc2ncc(-c3ccc(F)cc3)s2)c1[O-] ZINC000683342409 546014873 /nfs/dbraw/zinc/01/48/73/546014873.db2.gz QZHZPVBDVBWRNQ-UHFFFAOYSA-N -1 1 318.333 2.939 20 0 DFADMM CC(=O)N(C)c1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000683864325 546110272 /nfs/dbraw/zinc/11/02/72/546110272.db2.gz IDTAUMOHIFXNQC-UHFFFAOYSA-N -1 1 302.305 2.766 20 0 DFADMM COCCN(Cc1scnc1C)C(=O)c1ccc([O-])c(F)c1 ZINC000683883812 546111807 /nfs/dbraw/zinc/11/18/07/546111807.db2.gz KWTFSBCJZKWWTH-UHFFFAOYSA-N -1 1 324.377 2.585 20 0 DFADMM CC(C)(NC(=O)c1ccc(Br)cc1[O-])C(F)F ZINC000684340429 546195271 /nfs/dbraw/zinc/19/52/71/546195271.db2.gz LLIXVFJSVCRZPK-UHFFFAOYSA-N -1 1 308.122 2.928 20 0 DFADMM CN(C[C@H]1CCCO1)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684872249 546295661 /nfs/dbraw/zinc/29/56/61/546295661.db2.gz GRJHYPUZXDCTPV-SNVBAGLBSA-N -1 1 303.280 2.662 20 0 DFADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CC[C@@]2(CCOC2)C1 ZINC000684875856 546296273 /nfs/dbraw/zinc/29/62/73/546296273.db2.gz QJWQKJFZCBYWLO-CQSZACIVSA-N -1 1 315.291 2.664 20 0 DFADMM O=C(N[C@H]1CCCC[C@H]1CO)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684876894 546296332 /nfs/dbraw/zinc/29/63/32/546296332.db2.gz FYFAKELUZOXFBN-JQWIXIFHSA-N -1 1 317.307 2.692 20 0 DFADMM CC(C)(C)C[C@H](CO)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684876992 546296898 /nfs/dbraw/zinc/29/68/98/546296898.db2.gz JDZOJZMVCZSXMC-SNVBAGLBSA-N -1 1 319.323 2.938 20 0 DFADMM COc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]2C)c(F)c1 ZINC000684924453 546303403 /nfs/dbraw/zinc/30/34/03/546303403.db2.gz GSCVARPHUQREOP-VHSXEESVSA-N -1 1 319.373 2.688 20 0 DFADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000684992436 546315149 /nfs/dbraw/zinc/31/51/49/546315149.db2.gz WOOMFCDGCOOBPV-NWANDNLSSA-N -1 1 307.365 2.687 20 0 DFADMM CC(C)CC[C@](C)(O)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000735797467 598974784 /nfs/dbraw/zinc/97/47/84/598974784.db2.gz PWACHXPAUHMODV-AWEZNQCLSA-N -1 1 324.816 2.514 20 0 DFADMM CC(C)CC[C@](C)(O)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000735797467 598974786 /nfs/dbraw/zinc/97/47/86/598974786.db2.gz PWACHXPAUHMODV-AWEZNQCLSA-N -1 1 324.816 2.514 20 0 DFADMM Cc1cccc(C(C)C)c1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737390406 598979466 /nfs/dbraw/zinc/97/94/66/598979466.db2.gz SYKUYTXRNAEXDF-UHFFFAOYSA-N -1 1 322.372 2.946 20 0 DFADMM Cc1cccc(C(C)C)c1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737390406 598979468 /nfs/dbraw/zinc/97/94/68/598979468.db2.gz SYKUYTXRNAEXDF-UHFFFAOYSA-N -1 1 322.372 2.946 20 0 DFADMM O=C([O-])[C@]1(F)CCN(CCSc2ccc(Cl)cc2)C1 ZINC000833175491 601438443 /nfs/dbraw/zinc/43/84/43/601438443.db2.gz RJGIEMAGIYXVLI-ZDUSSCGKSA-N -1 1 303.786 2.931 20 0 DFADMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)CC[C@H]1c1ccccc1 ZINC000820774379 599050536 /nfs/dbraw/zinc/05/05/36/599050536.db2.gz BOYCPRCPHVVCRS-UKRRQHHQSA-N -1 1 320.400 2.892 20 0 DFADMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)CC[C@H]1c1ccccc1 ZINC000820774379 599050538 /nfs/dbraw/zinc/05/05/38/599050538.db2.gz BOYCPRCPHVVCRS-UKRRQHHQSA-N -1 1 320.400 2.892 20 0 DFADMM Cc1ccc(C(C)(C)CN(C)c2cccc(-c3nnn[n-]3)n2)cc1 ZINC000822227563 599062977 /nfs/dbraw/zinc/06/29/77/599062977.db2.gz NEMINQQMQSUYLB-UHFFFAOYSA-N -1 1 322.416 2.984 20 0 DFADMM Cc1ccc(C(C)(C)CN(C)c2cccc(-c3nn[n-]n3)n2)cc1 ZINC000822227563 599062979 /nfs/dbraw/zinc/06/29/79/599062979.db2.gz NEMINQQMQSUYLB-UHFFFAOYSA-N -1 1 322.416 2.984 20 0 DFADMM O=C([O-])C1(NCC(=O)Nc2ccc3ccccc3c2)CCCC1 ZINC000740374907 597080599 /nfs/dbraw/zinc/08/05/99/597080599.db2.gz FKZNYUDNPGBTPQ-UHFFFAOYSA-N -1 1 312.369 2.765 20 0 DFADMM C[C@H]1C[C@H](C)CN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000736226965 599252775 /nfs/dbraw/zinc/25/27/75/599252775.db2.gz KAFZLGCFYDCADR-RYUDHWBXSA-N -1 1 308.389 2.897 20 0 DFADMM C[C@H]1C[C@H](C)CN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000736226965 599252777 /nfs/dbraw/zinc/25/27/77/599252777.db2.gz KAFZLGCFYDCADR-RYUDHWBXSA-N -1 1 308.389 2.897 20 0 DFADMM Cc1cccc(-c2nnc([C@@H](C)N3CC[C@@H](C(=O)[O-])C3)o2)c1 ZINC000818936082 597530426 /nfs/dbraw/zinc/53/04/26/597530426.db2.gz OBWAPOGUUPQWJE-DGCLKSJQSA-N -1 1 301.346 2.513 20 0 DFADMM C[C@@H](c1nc2ccccc2n1C(F)F)N1CC[C@@H](C(=O)[O-])C1 ZINC000246741970 597531104 /nfs/dbraw/zinc/53/11/04/597531104.db2.gz ZBUVCNVITRRWKC-VHSXEESVSA-N -1 1 309.316 2.899 20 0 DFADMM CC(C)N(C)c1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000820112060 607316736 /nfs/dbraw/zinc/31/67/36/607316736.db2.gz IAHIDZGVDGLBMT-UHFFFAOYSA-N -1 1 312.377 2.916 20 0 DFADMM CC(C)N(C)c1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000820112060 607316737 /nfs/dbraw/zinc/31/67/37/607316737.db2.gz IAHIDZGVDGLBMT-UHFFFAOYSA-N -1 1 312.377 2.916 20 0 DFADMM O=C([O-])c1ccc(CN[C@H](CO)c2ccc(Cl)cc2)cc1 ZINC000821545805 597717553 /nfs/dbraw/zinc/71/75/53/597717553.db2.gz QEMKAQCCSXRZBQ-OAHLLOKOSA-N -1 1 305.761 2.861 20 0 DFADMM Cc1nn(-c2ccncc2)cc1CNc1cccc(CC(=O)[O-])c1 ZINC000821202424 597816624 /nfs/dbraw/zinc/81/66/24/597816624.db2.gz IPGMPKGLNQVYOC-UHFFFAOYSA-N -1 1 322.368 2.815 20 0 DFADMM O=C([O-])C[C@@H]1CCCN(Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000821516438 598151807 /nfs/dbraw/zinc/15/18/07/598151807.db2.gz UXDRLAQETHOICL-WCQYABFASA-N -1 1 310.419 2.681 20 0 DFADMM O=C([O-])C1CCN(Cc2c(C3CC3)nc3sccn23)CC1 ZINC000821511065 598181544 /nfs/dbraw/zinc/18/15/44/598181544.db2.gz BNMBCAIJONFENA-UHFFFAOYSA-N -1 1 305.403 2.570 20 0 DFADMM Cc1cccc(C)c1NC(=O)CNCc1cccc(C(=O)[O-])c1 ZINC000821112358 598202626 /nfs/dbraw/zinc/20/26/26/598202626.db2.gz VBXQWRBRWSMPAB-UHFFFAOYSA-N -1 1 312.369 2.730 20 0 DFADMM CC[C@@H](C)Oc1ccc(Nc2nccnc2-c2nnn[n-]2)cc1 ZINC000736325581 598346916 /nfs/dbraw/zinc/34/69/16/598346916.db2.gz FTAZJMIZMMLXDE-SNVBAGLBSA-N -1 1 311.349 2.578 20 0 DFADMM CC[C@@H](C)Oc1ccc(Nc2nccnc2-c2nn[n-]n2)cc1 ZINC000736325581 598346918 /nfs/dbraw/zinc/34/69/18/598346918.db2.gz FTAZJMIZMMLXDE-SNVBAGLBSA-N -1 1 311.349 2.578 20 0 DFADMM CC(C)(C)[C@H]1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC000735597626 598347306 /nfs/dbraw/zinc/34/73/06/598347306.db2.gz QTXQUDRWCWEGBP-RYUDHWBXSA-N -1 1 315.425 2.921 20 0 DFADMM CC(C)(C)[C@H]1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC000735597626 598347307 /nfs/dbraw/zinc/34/73/07/598347307.db2.gz QTXQUDRWCWEGBP-RYUDHWBXSA-N -1 1 315.425 2.921 20 0 DFADMM CC1CCC(N(C)c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000736239030 598570636 /nfs/dbraw/zinc/57/06/36/598570636.db2.gz FTNIBOOEPAYVEL-UHFFFAOYSA-N -1 1 306.801 2.930 20 0 DFADMM CC1CCC(N(C)c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000736239030 598570638 /nfs/dbraw/zinc/57/06/38/598570638.db2.gz FTNIBOOEPAYVEL-UHFFFAOYSA-N -1 1 306.801 2.930 20 0 DFADMM Cc1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1F ZINC000737341500 598571466 /nfs/dbraw/zinc/57/14/66/598571466.db2.gz ISMHGOQXCFWNOU-UHFFFAOYSA-N -1 1 318.743 2.975 20 0 DFADMM Cc1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1F ZINC000737341500 598571467 /nfs/dbraw/zinc/57/14/67/598571467.db2.gz ISMHGOQXCFWNOU-UHFFFAOYSA-N -1 1 318.743 2.975 20 0 DFADMM Clc1ccc(N[C@H]2C[C@H]2c2ccccc2)nc1-c1nnn[n-]1 ZINC000737574159 598578059 /nfs/dbraw/zinc/57/80/59/598578059.db2.gz LJPLGWYFLRFNAY-JQWIXIFHSA-N -1 1 312.764 2.883 20 0 DFADMM Clc1ccc(N[C@H]2C[C@H]2c2ccccc2)nc1-c1nn[n-]n1 ZINC000737574159 598578060 /nfs/dbraw/zinc/57/80/60/598578060.db2.gz LJPLGWYFLRFNAY-JQWIXIFHSA-N -1 1 312.764 2.883 20 0 DFADMM Clc1ccc(NCCCOC2CCCC2)nc1-c1nnn[n-]1 ZINC000737575381 598579281 /nfs/dbraw/zinc/57/92/81/598579281.db2.gz SIMCQXUQOXMAPH-UHFFFAOYSA-N -1 1 322.800 2.676 20 0 DFADMM Clc1ccc(NCCCOC2CCCC2)nc1-c1nn[n-]n1 ZINC000737575381 598579283 /nfs/dbraw/zinc/57/92/83/598579283.db2.gz SIMCQXUQOXMAPH-UHFFFAOYSA-N -1 1 322.800 2.676 20 0 DFADMM COc1ccc([C@@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)cc1 ZINC000737075550 599397502 /nfs/dbraw/zinc/39/75/02/599397502.db2.gz LEXMCRTVATWUKW-HNNXBMFYSA-N -1 1 322.372 2.612 20 0 DFADMM COc1ccc([C@@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)cc1 ZINC000737075550 599397506 /nfs/dbraw/zinc/39/75/06/599397506.db2.gz LEXMCRTVATWUKW-HNNXBMFYSA-N -1 1 322.372 2.612 20 0 DFADMM CC(C)OCc1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000820146321 599413526 /nfs/dbraw/zinc/41/35/26/599413526.db2.gz KEYFOJOVDMCRHP-UHFFFAOYSA-N -1 1 313.361 2.997 20 0 DFADMM CC(C)OCc1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000820146321 599413527 /nfs/dbraw/zinc/41/35/27/599413527.db2.gz KEYFOJOVDMCRHP-UHFFFAOYSA-N -1 1 313.361 2.997 20 0 DFADMM Cc1ccc2c(CCNc3cccc(-c4nnn[n-]4)n3)c[nH]c2c1 ZINC000737371515 599423252 /nfs/dbraw/zinc/42/32/52/599423252.db2.gz FTANLVMWMKJALL-UHFFFAOYSA-N -1 1 319.372 2.706 20 0 DFADMM Cc1ccc2c(CCNc3cccc(-c4nn[n-]n4)n3)c[nH]c2c1 ZINC000737371515 599423255 /nfs/dbraw/zinc/42/32/55/599423255.db2.gz FTANLVMWMKJALL-UHFFFAOYSA-N -1 1 319.372 2.706 20 0 DFADMM Fc1cccc(Oc2cccc(-n3ccnc3)c2)c1-c1nn[n-]n1 ZINC000737662548 599527622 /nfs/dbraw/zinc/52/76/22/599527622.db2.gz BIXSQMGADXPBMO-UHFFFAOYSA-N -1 1 322.303 2.984 20 0 DFADMM CC[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1ccncc1 ZINC000820925933 599573942 /nfs/dbraw/zinc/57/39/42/599573942.db2.gz NHNASPCTUYGKNR-QMMMGPOBSA-N -1 1 321.797 2.935 20 0 DFADMM CC[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1ccncc1 ZINC000820925933 599573944 /nfs/dbraw/zinc/57/39/44/599573944.db2.gz NHNASPCTUYGKNR-QMMMGPOBSA-N -1 1 321.797 2.935 20 0 DFADMM CC[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1ccncc1 ZINC000820925932 599573996 /nfs/dbraw/zinc/57/39/96/599573996.db2.gz NHNASPCTUYGKNR-MRVPVSSYSA-N -1 1 321.797 2.935 20 0 DFADMM CC[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1ccncc1 ZINC000820925932 599573999 /nfs/dbraw/zinc/57/39/99/599573999.db2.gz NHNASPCTUYGKNR-MRVPVSSYSA-N -1 1 321.797 2.935 20 0 DFADMM CC(C)C[C@@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000820068535 599686636 /nfs/dbraw/zinc/68/66/36/599686636.db2.gz RMQYPKDCCLSMKC-JTQLQIEISA-N -1 1 306.801 2.788 20 0 DFADMM CC(C)C[C@@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000820068535 599686637 /nfs/dbraw/zinc/68/66/37/599686637.db2.gz RMQYPKDCCLSMKC-JTQLQIEISA-N -1 1 306.801 2.788 20 0 DFADMM CO[C@]1(C)C[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1(C)C ZINC000821678988 599688470 /nfs/dbraw/zinc/68/84/70/599688470.db2.gz VKZQKSFIAQGIAR-YMTOWFKASA-N -1 1 322.800 2.531 20 0 DFADMM CO[C@]1(C)C[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1(C)C ZINC000821678988 599688471 /nfs/dbraw/zinc/68/84/71/599688471.db2.gz VKZQKSFIAQGIAR-YMTOWFKASA-N -1 1 322.800 2.531 20 0 DFADMM CCC1(C)CCN(CC(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC000736929332 599717933 /nfs/dbraw/zinc/71/79/33/599717933.db2.gz ISWGTCIXYMUEEU-UHFFFAOYSA-N -1 1 304.390 2.835 20 0 DFADMM CC(C)(C)c1nc2ccc(NC(=O)C(C)(C)NC(=O)[O-])cc2[nH]1 ZINC000736336526 599727405 /nfs/dbraw/zinc/72/74/05/599727405.db2.gz GZLHKWCKWWIWKU-UHFFFAOYSA-N -1 1 318.377 2.845 20 0 DFADMM O=C([O-])C[C@@H]1CCCC[N@H+]1Cn1cnc2cc(F)c(F)cc21 ZINC000739640126 599840669 /nfs/dbraw/zinc/84/06/69/599840669.db2.gz QQIVNEFQYSCYFC-JTQLQIEISA-N -1 1 309.316 2.601 20 0 DFADMM CC(C)C[C@H](NC(=O)CN1CCC2(CCCCC2)CC1)C(=O)[O-] ZINC000736412974 599852908 /nfs/dbraw/zinc/85/29/08/599852908.db2.gz QQCGBBUIVOKUON-HNNXBMFYSA-N -1 1 324.465 2.648 20 0 DFADMM O=C([O-])c1sccc1NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000035306404 599873414 /nfs/dbraw/zinc/87/34/14/599873414.db2.gz LNUWKLASIMALAK-UHFFFAOYSA-N -1 1 319.310 2.525 20 0 DFADMM O=C([O-])c1cccc(NC(=O)c2ccc(Cl)cc2O)c1O ZINC000124553846 599948253 /nfs/dbraw/zinc/94/82/53/599948253.db2.gz IYKVXQGIENRWQV-UHFFFAOYSA-N -1 1 307.689 2.702 20 0 DFADMM CSc1cccc(NC(=O)CN(C[C@@H](C)C(=O)[O-])C2CC2)c1 ZINC000738213975 599951738 /nfs/dbraw/zinc/95/17/38/599951738.db2.gz GNPVHVWQHWSTEN-LLVKDONJSA-N -1 1 322.430 2.532 20 0 DFADMM C[C@@H](CN(C)Cc1nnc(-c2cccc(Cl)c2)o1)C(=O)[O-] ZINC000736576826 600110874 /nfs/dbraw/zinc/11/08/74/600110874.db2.gz MLHHEYIABNJYQW-VIFPVBQESA-N -1 1 309.753 2.543 20 0 DFADMM Cc1cc(NS(=O)(=O)c2ccc(Cl)s2)c(C(=O)[O-])[nH]1 ZINC000163445202 600175890 /nfs/dbraw/zinc/17/58/90/600175890.db2.gz DMDHYYDVNOEUFU-UHFFFAOYSA-N -1 1 320.779 2.537 20 0 DFADMM O=C([O-])[C@H]1CC12CCN(Cn1ccc(-c3ccsc3)n1)CC2 ZINC000739536656 600280055 /nfs/dbraw/zinc/28/00/55/600280055.db2.gz OBWPXXXELBDSIJ-CYBMUJFWSA-N -1 1 317.414 2.756 20 0 DFADMM CC[C@H](C)CN(C)CC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000736879931 600324700 /nfs/dbraw/zinc/32/47/00/600324700.db2.gz IYMJMBWLHKEJJU-VIFPVBQESA-N -1 1 312.435 2.980 20 0 DFADMM CC[C@H](C)CN(C)CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000736879800 600325021 /nfs/dbraw/zinc/32/50/21/600325021.db2.gz IGEVRLGWHXQVFW-JTQLQIEISA-N -1 1 324.446 2.851 20 0 DFADMM Cc1cc(-c2noc([C@H](C)N(C)C[C@@H](C)C(=O)[O-])n2)ccc1F ZINC000738314201 600376197 /nfs/dbraw/zinc/37/61/97/600376197.db2.gz LDHSIBUVYWGGDB-MNOVXSKESA-N -1 1 321.352 2.898 20 0 DFADMM CCN(CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)C1CCC1 ZINC000737068693 600433161 /nfs/dbraw/zinc/43/31/61/600433161.db2.gz BCMUGCPUFQWJJW-UHFFFAOYSA-N -1 1 322.430 2.748 20 0 DFADMM CCc1cc(CNC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)n[nH]1 ZINC000737254507 600514172 /nfs/dbraw/zinc/51/41/72/600514172.db2.gz PVBBRVLNHMMZMX-UHFFFAOYSA-N -1 1 322.752 2.645 20 0 DFADMM CC[C@](C)(NCC(=O)Nc1cccc2ccccc21)C(=O)[O-] ZINC000736862795 600561727 /nfs/dbraw/zinc/56/17/27/600561727.db2.gz GEICAGFGDXAMFP-KRWDZBQOSA-N -1 1 300.358 2.621 20 0 DFADMM Cc1oc(CN(C)C[C@H](O)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000832924065 600679991 /nfs/dbraw/zinc/67/99/91/600679991.db2.gz FHBZDFLGRWZCAN-INIZCTEOSA-N -1 1 303.358 2.760 20 0 DFADMM C[C@@H](C(=O)OCc1ccc(F)cc1C(=O)[O-])N1[C@H](C)CC[C@H]1C ZINC000736761335 600736827 /nfs/dbraw/zinc/73/68/27/600736827.db2.gz HHGBHIOYZHEDHF-UTUOFQBUSA-N -1 1 323.364 2.828 20 0 DFADMM O=C([O-])C[C@@H]1CCCCN1Cc1nnc(-c2cccc(F)c2)o1 ZINC000833206876 600822558 /nfs/dbraw/zinc/82/25/58/600822558.db2.gz BVGQQZMNLWLNLI-ZDUSSCGKSA-N -1 1 319.336 2.705 20 0 DFADMM CC[C@H](C)[C@H](NC(=O)CN1CCC(C2CCCC2)CC1)C(=O)[O-] ZINC000828714459 600841153 /nfs/dbraw/zinc/84/11/53/600841153.db2.gz APEDCRLWNUPVKX-GUYCJALGSA-N -1 1 324.465 2.504 20 0 DFADMM O=C([O-])C[C@@H]1CN(C(=O)c2cccc3[nH]ncc32)c2ccccc21 ZINC000739647323 600908426 /nfs/dbraw/zinc/90/84/26/600908426.db2.gz UGWATEINOSDEED-LLVKDONJSA-N -1 1 321.336 2.782 20 0 DFADMM CCN1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000829770039 600981708 /nfs/dbraw/zinc/98/17/08/600981708.db2.gz BHZGWLLKBXDGQT-ZDUSSCGKSA-N -1 1 317.216 2.757 20 0 DFADMM Cc1cccc(C(C)C)c1NC(=O)CN[C@](C)(C(=O)[O-])C1CC1 ZINC000832965456 601034739 /nfs/dbraw/zinc/03/47/39/601034739.db2.gz BNIRTVOLMNLCMY-SFHVURJKSA-N -1 1 318.417 2.900 20 0 DFADMM COC[C@@](C)(CC(=O)[O-])NCc1csc(C2CCCC2)n1 ZINC000831583848 601136180 /nfs/dbraw/zinc/13/61/80/601136180.db2.gz AEHSPZNWRNYOBE-OAHLLOKOSA-N -1 1 312.435 2.770 20 0 DFADMM C[C@](NCc1c(F)c(F)c(F)c(F)c1F)(C(=O)[O-])C1CC1 ZINC000827735199 601174276 /nfs/dbraw/zinc/17/42/76/601174276.db2.gz RHAZGVCURCTUTK-CYBMUJFWSA-N -1 1 309.234 2.725 20 0 DFADMM CC1(C)CN(Cn2nc(C(=O)[O-])c3ccccc32)CCS1 ZINC000828075011 601342490 /nfs/dbraw/zinc/34/24/90/601342490.db2.gz ZBJYOWABTFBMNQ-UHFFFAOYSA-N -1 1 305.403 2.519 20 0 DFADMM Cc1cccc2c1CCCN2Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826304960 607501760 /nfs/dbraw/zinc/50/17/60/607501760.db2.gz FXFBWZFPEJLYLC-UHFFFAOYSA-N -1 1 306.373 2.523 20 0 DFADMM Cc1cccc2c1CCCN2Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826304960 607501761 /nfs/dbraw/zinc/50/17/61/607501761.db2.gz FXFBWZFPEJLYLC-UHFFFAOYSA-N -1 1 306.373 2.523 20 0 DFADMM O=C([O-])CCCNC(=O)c1cc(Cl)c2ccccc2c1O ZINC000833227012 601386383 /nfs/dbraw/zinc/38/63/83/601386383.db2.gz KVPZVBMBQVBVTL-UHFFFAOYSA-N -1 1 307.733 2.793 20 0 DFADMM CCc1oc(C(=O)[O-])cc1CN(Cc1ccccc1)C[C@@H](C)O ZINC000830363858 601422090 /nfs/dbraw/zinc/42/20/90/601422090.db2.gz ZACWFIPPUAWNTP-CYBMUJFWSA-N -1 1 317.385 2.923 20 0 DFADMM Cc1cnc(CN2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cn1 ZINC000832985938 601435412 /nfs/dbraw/zinc/43/54/12/601435412.db2.gz RDGZBUBEUVGVJB-GOEBONIOSA-N -1 1 303.406 2.640 20 0 DFADMM O=C([O-])[C@@]1(F)CCN(CCOc2cccc3ccccc32)C1 ZINC000833174827 601436258 /nfs/dbraw/zinc/43/62/58/601436258.db2.gz JYIQFFHYEZBLKF-QGZVFWFLSA-N -1 1 303.333 2.717 20 0 DFADMM CCc1oc(C(=O)[O-])cc1COC(=O)[C@@H](C)N1CCCCCC1 ZINC000830378980 601466584 /nfs/dbraw/zinc/46/65/84/601466584.db2.gz FCLHCIOORXDGLA-GFCCVEGCSA-N -1 1 323.389 2.848 20 0 DFADMM C[C@@H]1CN(Cc2csc(Br)c2)C[C@@H]1C(=O)[O-] ZINC000082557796 601508532 /nfs/dbraw/zinc/50/85/32/601508532.db2.gz FNARQQITQGJOHE-APPZFPTMSA-N -1 1 304.209 2.663 20 0 DFADMM C[C@H]1CN(Cc2ccc(Br)s2)C[C@H]1C(=O)[O-] ZINC000251625313 601519768 /nfs/dbraw/zinc/51/97/68/601519768.db2.gz FDDAGZCHOGYKBB-IONNQARKSA-N -1 1 304.209 2.663 20 0 DFADMM C[C@@H]1CN(Cc2ccc(F)cc2Br)C[C@H]1C(=O)[O-] ZINC000235361803 601529089 /nfs/dbraw/zinc/52/90/89/601529089.db2.gz IXJMMPNOPPYEJK-LDYMZIIASA-N -1 1 316.170 2.741 20 0 DFADMM C[C@H](c1nc(-c2cccs2)no1)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828422798 601529636 /nfs/dbraw/zinc/52/96/36/601529636.db2.gz JKVJEZOODVGVEA-OPRDCNLKSA-N -1 1 307.375 2.512 20 0 DFADMM C[C@H]1CN(Cc2ccc(Br)cc2F)C[C@H]1C(=O)[O-] ZINC000251944412 601532022 /nfs/dbraw/zinc/53/20/22/601532022.db2.gz ZWLZDCNUAHIGAN-GZMMTYOYSA-N -1 1 316.170 2.741 20 0 DFADMM C[C@H]1CN(Cc2ccc(Br)cc2F)C[C@@H]1C(=O)[O-] ZINC000104211205 601532073 /nfs/dbraw/zinc/53/20/73/601532073.db2.gz ZWLZDCNUAHIGAN-KWQFWETISA-N -1 1 316.170 2.741 20 0 DFADMM C[C@@H]1[C@@H](C)CCN1CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000828289592 601566217 /nfs/dbraw/zinc/56/62/17/601566217.db2.gz JFKYFTRIFMJFCR-VHSXEESVSA-N -1 1 322.430 2.604 20 0 DFADMM Cc1sc(NC(=O)CN2CC[C@@H](C)[C@H]2C)c(C(=O)[O-])c1C ZINC000833034200 601567061 /nfs/dbraw/zinc/56/70/61/601567061.db2.gz QYEYIZLCUCWPHE-PSASIEDQSA-N -1 1 310.419 2.732 20 0 DFADMM CCn1c(C)cc(C(=O)CN2CCCC[C@@H]2CC(=O)[O-])c1C ZINC000830408207 601593487 /nfs/dbraw/zinc/59/34/87/601593487.db2.gz OATAKPCEETWHIO-CQSZACIVSA-N -1 1 306.406 2.637 20 0 DFADMM C[C@H]1CCN(Cc2ccnc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000824962216 607516542 /nfs/dbraw/zinc/51/65/42/607516542.db2.gz QLKXEJKMJYXZHD-LBPRGKRZSA-N -1 1 306.373 2.776 20 0 DFADMM C[C@H]1CCN(Cc2ccnc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000824962216 607516543 /nfs/dbraw/zinc/51/65/43/607516543.db2.gz QLKXEJKMJYXZHD-LBPRGKRZSA-N -1 1 306.373 2.776 20 0 DFADMM COC(=O)c1coc(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000831467305 601653649 /nfs/dbraw/zinc/65/36/49/601653649.db2.gz WABOGQUVNLPTIX-XHDPSFHLSA-N -1 1 317.341 2.618 20 0 DFADMM CC(C)[C@@H](C(=O)OCc1ccc(C(=O)[O-])c(F)c1)N1CCCC1 ZINC000826677638 601730519 /nfs/dbraw/zinc/73/05/19/601730519.db2.gz WHSNNGPAWHXTGW-HNNXBMFYSA-N -1 1 323.364 2.688 20 0 DFADMM COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccsc1C(=O)[O-] ZINC000831099418 601808226 /nfs/dbraw/zinc/80/82/26/601808226.db2.gz GKPDZAHURACZBG-UHTWSYAYSA-N -1 1 323.414 2.752 20 0 DFADMM CC[C@H](C)c1ccc(NC(=O)CN[C@H](C(=O)[O-])C(C)C)cc1 ZINC000828765119 601822788 /nfs/dbraw/zinc/82/27/88/601822788.db2.gz XFOFZKXCWPBSIK-LRDDRELGSA-N -1 1 306.406 2.837 20 0 DFADMM O=C([O-])CCC1CCN(C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000833224567 601843338 /nfs/dbraw/zinc/84/33/38/601843338.db2.gz ZYBPJQDHGCHZNO-HNNXBMFYSA-N -1 1 313.344 2.575 20 0 DFADMM Cc1cccn2cc(CN3CCC(CCC(=O)[O-])CC3)nc12 ZINC000314953722 601843826 /nfs/dbraw/zinc/84/38/26/601843826.db2.gz WEJAFJCBNXUYHJ-UHFFFAOYSA-N -1 1 301.390 2.720 20 0 DFADMM C[C@@]1(C(=O)[O-])CCN(CN2c3cccc4cccc(c34)C2=O)C1 ZINC000828028913 601890596 /nfs/dbraw/zinc/89/05/96/601890596.db2.gz IDUQWXYFKRONNO-GOSISDBHSA-N -1 1 310.353 2.554 20 0 DFADMM O=C([O-])NC[C@@H]1CCN(Cn2c3ccccc3oc2=S)C1 ZINC000740644686 601915808 /nfs/dbraw/zinc/91/58/08/601915808.db2.gz AFFCZIVQKMPXCU-JTQLQIEISA-N -1 1 307.375 2.511 20 0 DFADMM COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccc(C(=O)[O-])s1 ZINC000831101404 601943179 /nfs/dbraw/zinc/94/31/79/601943179.db2.gz VDVHKOBVOLQRRU-WXHSDQCUSA-N -1 1 323.414 2.752 20 0 DFADMM CC(C)(C)OCCCSCc1ccnc(-c2nnn[n-]2)c1 ZINC000824119311 607535433 /nfs/dbraw/zinc/53/54/33/607535433.db2.gz FHIOOSOBXZZHAU-UHFFFAOYSA-N -1 1 307.423 2.700 20 0 DFADMM CC(C)(C)OCCCSCc1ccnc(-c2nn[n-]n2)c1 ZINC000824119311 607535434 /nfs/dbraw/zinc/53/54/34/607535434.db2.gz FHIOOSOBXZZHAU-UHFFFAOYSA-N -1 1 307.423 2.700 20 0 DFADMM O=C([O-])c1ccc(CN2CCC[C@H](OCC(F)(F)F)C2)s1 ZINC000833313255 601958549 /nfs/dbraw/zinc/95/85/49/601958549.db2.gz QOMXOWAOPNKMSX-VIFPVBQESA-N -1 1 323.336 2.990 20 0 DFADMM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1ccc(C(=O)[O-])s1 ZINC000829143126 601962143 /nfs/dbraw/zinc/96/21/43/601962143.db2.gz XWXDSROPRRRDHN-OLZOCXBDSA-N 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/nfs/dbraw/zinc/40/10/77/606401077.db2.gz QTDGWJDSRWBHAY-WDEREUQCSA-N -1 1 304.423 2.738 20 0 DFADMM CCS[C@@H]1CCC[C@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC000821456605 606401078 /nfs/dbraw/zinc/40/10/78/606401078.db2.gz QTDGWJDSRWBHAY-WDEREUQCSA-N -1 1 304.423 2.738 20 0 DFADMM CC(C)CC(C)(C)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820050445 606448698 /nfs/dbraw/zinc/44/86/98/606448698.db2.gz AFUAROKYIVRIJJ-UHFFFAOYSA-N -1 1 307.423 2.730 20 0 DFADMM CC(C)CC(C)(C)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820050445 606448701 /nfs/dbraw/zinc/44/87/01/606448701.db2.gz AFUAROKYIVRIJJ-UHFFFAOYSA-N -1 1 307.423 2.730 20 0 DFADMM O=C(NCCC1=CCCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823183347 606489838 /nfs/dbraw/zinc/48/98/38/606489838.db2.gz VGWPVLWNFPIIHU-UHFFFAOYSA-N -1 1 303.391 2.549 20 0 DFADMM O=C(NCCC1=CCCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823183347 606489839 /nfs/dbraw/zinc/48/98/39/606489839.db2.gz VGWPVLWNFPIIHU-UHFFFAOYSA-N -1 1 303.391 2.549 20 0 DFADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)s1)C1CCCCC1 ZINC000821159418 606500377 /nfs/dbraw/zinc/50/03/77/606500377.db2.gz BKBAXLSJNMNPPY-UHFFFAOYSA-N -1 1 305.407 2.723 20 0 DFADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)s1)C1CCCCC1 ZINC000821159418 606500379 /nfs/dbraw/zinc/50/03/79/606500379.db2.gz BKBAXLSJNMNPPY-UHFFFAOYSA-N -1 1 305.407 2.723 20 0 DFADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC[C@H]1c1ccccc1 ZINC000823484586 606526800 /nfs/dbraw/zinc/52/68/00/606526800.db2.gz ZIXUHWXTTITQBR-NSHDSACASA-N -1 1 311.370 2.515 20 0 DFADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC[C@H]1c1ccccc1 ZINC000823484586 606526802 /nfs/dbraw/zinc/52/68/02/606526802.db2.gz ZIXUHWXTTITQBR-NSHDSACASA-N -1 1 311.370 2.515 20 0 DFADMM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820038348 606549888 /nfs/dbraw/zinc/54/98/88/606549888.db2.gz MSHFFFWLSSRJKK-QWRGUYRKSA-N -1 1 319.434 2.873 20 0 DFADMM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820038348 606549890 /nfs/dbraw/zinc/54/98/90/606549890.db2.gz MSHFFFWLSSRJKK-QWRGUYRKSA-N -1 1 319.434 2.873 20 0 DFADMM Cc1c(F)cccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822035070 606581559 /nfs/dbraw/zinc/58/15/59/606581559.db2.gz PMWMDSHTVYYACK-UHFFFAOYSA-N -1 1 303.322 2.628 20 0 DFADMM Cc1c(F)cccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822035070 606581561 /nfs/dbraw/zinc/58/15/61/606581561.db2.gz PMWMDSHTVYYACK-UHFFFAOYSA-N -1 1 303.322 2.628 20 0 DFADMM Cc1ccc(COC(=O)c2sccc2-c2nn[n-]n2)s1 ZINC000822238392 606686981 /nfs/dbraw/zinc/68/69/81/606686981.db2.gz GHHUXQIPIHXUNW-UHFFFAOYSA-N -1 1 306.372 2.655 20 0 DFADMM CCC1(CC)CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000820957395 606729309 /nfs/dbraw/zinc/72/93/09/606729309.db2.gz OLWLFDPMNIJVNA-UHFFFAOYSA-N -1 1 306.801 2.932 20 0 DFADMM CCC1(CC)CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000820957395 606729311 /nfs/dbraw/zinc/72/93/11/606729311.db2.gz OLWLFDPMNIJVNA-UHFFFAOYSA-N -1 1 306.801 2.932 20 0 DFADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2NC[C@H]1CCCS1 ZINC000823797433 606800165 /nfs/dbraw/zinc/80/01/65/606800165.db2.gz OOXLAHDHNYIUDY-SNVBAGLBSA-N -1 1 312.402 2.722 20 0 DFADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2NC[C@H]1CCCS1 ZINC000823797433 606800166 /nfs/dbraw/zinc/80/01/66/606800166.db2.gz OOXLAHDHNYIUDY-SNVBAGLBSA-N -1 1 312.402 2.722 20 0 DFADMM C[C@]1(CNc2snc(Cl)c2-c2nnn[n-]2)CCCS1 ZINC000820623058 606946127 /nfs/dbraw/zinc/94/61/27/606946127.db2.gz DEDLAEMLIDNUHT-SNVBAGLBSA-N -1 1 316.843 2.674 20 0 DFADMM C[C@]1(CNc2snc(Cl)c2-c2nn[n-]n2)CCCS1 ZINC000820623058 606946128 /nfs/dbraw/zinc/94/61/28/606946128.db2.gz DEDLAEMLIDNUHT-SNVBAGLBSA-N -1 1 316.843 2.674 20 0 DFADMM CCC(=O)c1ccc(Oc2ncccc2-c2nn[n-]n2)c(F)c1 ZINC000820841594 607035045 /nfs/dbraw/zinc/03/50/45/607035045.db2.gz AJWHHGVBGWJFCB-UHFFFAOYSA-N -1 1 313.292 2.786 20 0 DFADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N[C@@H]1CC2CCC1CC2 ZINC000823798182 607131791 /nfs/dbraw/zinc/13/17/91/607131791.db2.gz UXXZVCAIJRGMNG-QIMFLAQGSA-N -1 1 321.388 2.801 20 0 DFADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N[C@@H]1CC2CCC1CC2 ZINC000823798182 607131793 /nfs/dbraw/zinc/13/17/93/607131793.db2.gz UXXZVCAIJRGMNG-QIMFLAQGSA-N -1 1 321.388 2.801 20 0 DFADMM COc1ccc(COc2cccc(F)c2-c2nnn[n-]2)cc1F ZINC000826207141 607863414 /nfs/dbraw/zinc/86/34/14/607863414.db2.gz BRKGLPFYBOTDSX-UHFFFAOYSA-N -1 1 318.283 2.733 20 0 DFADMM COc1ccc(COc2cccc(F)c2-c2nn[n-]n2)cc1F ZINC000826207141 607863415 /nfs/dbraw/zinc/86/34/15/607863415.db2.gz BRKGLPFYBOTDSX-UHFFFAOYSA-N -1 1 318.283 2.733 20 0 DFADMM Fc1ccc(COc2cccc(F)c2-c2nnn[n-]2)cc1F ZINC000826375053 607864780 /nfs/dbraw/zinc/86/47/80/607864780.db2.gz XMSYAXLTZBGLTJ-UHFFFAOYSA-N -1 1 306.247 2.863 20 0 DFADMM Fc1ccc(COc2cccc(F)c2-c2nn[n-]n2)cc1F ZINC000826375053 607864781 /nfs/dbraw/zinc/86/47/81/607864781.db2.gz XMSYAXLTZBGLTJ-UHFFFAOYSA-N -1 1 306.247 2.863 20 0 DFADMM Nc1c(Cl)cc(Nc2cccc(-c3nnn[n-]3)n2)cc1Cl ZINC000826395801 607895783 /nfs/dbraw/zinc/89/57/83/607895783.db2.gz SVIWEVYSBCLAQI-UHFFFAOYSA-N -1 1 322.159 2.894 20 0 DFADMM Nc1c(Cl)cc(Nc2cccc(-c3nn[n-]n3)n2)cc1Cl ZINC000826395801 607895784 /nfs/dbraw/zinc/89/57/84/607895784.db2.gz SVIWEVYSBCLAQI-UHFFFAOYSA-N -1 1 322.159 2.894 20 0 DFADMM C[C@@H]1C[C@@H](c2cccc(F)c2)N(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000824899544 607900431 /nfs/dbraw/zinc/90/04/31/607900431.db2.gz LDQXYPMVRANVEC-ABAIWWIYSA-N -1 1 324.363 2.988 20 0 DFADMM C[C@@H]1C[C@@H](c2cccc(F)c2)N(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000824899544 607900432 /nfs/dbraw/zinc/90/04/32/607900432.db2.gz LDQXYPMVRANVEC-ABAIWWIYSA-N -1 1 324.363 2.988 20 0 DFADMM CN(Cc1ccc(Cl)c(F)c1)c1cccc(-c2nnn[n-]2)n1 ZINC000825965985 608099456 /nfs/dbraw/zinc/09/94/56/608099456.db2.gz JDSPRJJCAGSXPZ-UHFFFAOYSA-N -1 1 318.743 2.691 20 0 DFADMM CN(Cc1ccc(Cl)c(F)c1)c1cccc(-c2nn[n-]n2)n1 ZINC000825965985 608099457 /nfs/dbraw/zinc/09/94/57/608099457.db2.gz JDSPRJJCAGSXPZ-UHFFFAOYSA-N -1 1 318.743 2.691 20 0 DFADMM C[C@@H]1CCC[C@H](COC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000824927430 608170624 /nfs/dbraw/zinc/17/06/24/608170624.db2.gz OFYJIDGKUKXDBH-ZJUUUORDSA-N -1 1 306.391 2.911 20 0 DFADMM C[C@@H]1CCC[C@@H](COC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000824927283 608172365 /nfs/dbraw/zinc/17/23/65/608172365.db2.gz NQKXSVHHZNONAZ-NXEZZACHSA-N -1 1 306.391 2.911 20 0 DFADMM C[C@@H]1CCC[C@@H](COC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000824927283 608172367 /nfs/dbraw/zinc/17/23/67/608172367.db2.gz NQKXSVHHZNONAZ-NXEZZACHSA-N -1 1 306.391 2.911 20 0 DFADMM C[C@H]1CCCC[C@@H]1N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC000824939977 608173558 /nfs/dbraw/zinc/17/35/58/608173558.db2.gz YOXDSCVOBUQLKU-YUMQZZPRSA-N -1 1 312.830 2.992 20 0 DFADMM C[C@H]1CCCC[C@@H]1N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC000824939977 608173560 /nfs/dbraw/zinc/17/35/60/608173560.db2.gz YOXDSCVOBUQLKU-YUMQZZPRSA-N -1 1 312.830 2.992 20 0 DFADMM C[C@@H]1C[C@H](CNc2cc(-c3nnn[n-]3)nc3ccccc32)CCO1 ZINC000824884040 608195404 /nfs/dbraw/zinc/19/54/04/608195404.db2.gz KRTBCXHJJOMWFP-VXGBXAGGSA-N -1 1 324.388 2.642 20 0 DFADMM C[C@@H]1C[C@H](CNc2cc(-c3nn[n-]n3)nc3ccccc32)CCO1 ZINC000824884040 608195407 /nfs/dbraw/zinc/19/54/07/608195407.db2.gz KRTBCXHJJOMWFP-VXGBXAGGSA-N -1 1 324.388 2.642 20 0 DFADMM C[C@@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC12CCC2 ZINC000824961606 608196008 /nfs/dbraw/zinc/19/60/08/608196008.db2.gz DSIYTPLBYRSUMR-SNVBAGLBSA-N -1 1 318.812 2.932 20 0 DFADMM C[C@@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC12CCC2 ZINC000824961606 608196010 /nfs/dbraw/zinc/19/60/10/608196010.db2.gz DSIYTPLBYRSUMR-SNVBAGLBSA-N -1 1 318.812 2.932 20 0 DFADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC12CCC2 ZINC000824948375 608199888 /nfs/dbraw/zinc/19/98/88/608199888.db2.gz URKSEDFKVFDVTO-SNVBAGLBSA-N -1 1 317.418 2.581 20 0 DFADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC12CCC2 ZINC000824948375 608199889 /nfs/dbraw/zinc/19/98/89/608199889.db2.gz URKSEDFKVFDVTO-SNVBAGLBSA-N -1 1 317.418 2.581 20 0 DFADMM Oc1cccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)c1 ZINC000826511409 608372417 /nfs/dbraw/zinc/37/24/17/608372417.db2.gz OKXOQBLHKFIHAH-UHFFFAOYSA-N -1 1 318.340 2.733 20 0 DFADMM Oc1cccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)c1 ZINC000826511409 608372419 /nfs/dbraw/zinc/37/24/19/608372419.db2.gz OKXOQBLHKFIHAH-UHFFFAOYSA-N -1 1 318.340 2.733 20 0 DFADMM Cc1cc([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)c(C)s1 ZINC000826262077 608396709 /nfs/dbraw/zinc/39/67/09/608396709.db2.gz DKFGVIZRNJDYAG-QMMMGPOBSA-N -1 1 301.379 2.508 20 0 DFADMM Cc1cc([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)c(C)s1 ZINC000826262077 608396710 /nfs/dbraw/zinc/39/67/10/608396710.db2.gz DKFGVIZRNJDYAG-QMMMGPOBSA-N -1 1 301.379 2.508 20 0 DFADMM CC(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC000824192869 608398170 /nfs/dbraw/zinc/39/81/70/608398170.db2.gz NQBYTLUNJPGCPG-ZDUSSCGKSA-N -1 1 309.377 2.508 20 0 DFADMM CC(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC000824192869 608398172 /nfs/dbraw/zinc/39/81/72/608398172.db2.gz NQBYTLUNJPGCPG-ZDUSSCGKSA-N -1 1 309.377 2.508 20 0 DFADMM Clc1cccc(CSc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826353624 608405170 /nfs/dbraw/zinc/40/51/70/608405170.db2.gz XGQHKZGJJKXDII-UHFFFAOYSA-N -1 1 304.766 2.602 20 0 DFADMM Clc1cccc(CSc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826353624 608405171 /nfs/dbraw/zinc/40/51/71/608405171.db2.gz XGQHKZGJJKXDII-UHFFFAOYSA-N -1 1 304.766 2.602 20 0 DFADMM CCCCN(C)c1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000825282769 608415432 /nfs/dbraw/zinc/41/54/32/608415432.db2.gz ZMCMMGCJYQHJRT-UHFFFAOYSA-N -1 1 324.392 2.637 20 0 DFADMM C[C@H]1CC(Nc2cc(-c3nnn[n-]3)nc3ccccc32)C[C@H](C)O1 ZINC000824891477 608444266 /nfs/dbraw/zinc/44/42/66/608444266.db2.gz ABXKBCCSHCOKLU-QWRGUYRKSA-N -1 1 324.388 2.783 20 0 DFADMM C[C@H]1CC(Nc2cc(-c3nn[n-]n3)nc3ccccc32)C[C@H](C)O1 ZINC000824891477 608444268 /nfs/dbraw/zinc/44/42/68/608444268.db2.gz ABXKBCCSHCOKLU-QWRGUYRKSA-N -1 1 324.388 2.783 20 0 DFADMM CN(C)c1c(Cl)cccc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000825875318 609343129 /nfs/dbraw/zinc/34/31/29/609343129.db2.gz KDYZXJNCRLLBBS-UHFFFAOYSA-N -1 1 318.768 2.791 20 0 DFADMM CN(C)c1c(Cl)cccc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000825875318 609343130 /nfs/dbraw/zinc/34/31/30/609343130.db2.gz KDYZXJNCRLLBBS-UHFFFAOYSA-N -1 1 318.768 2.791 20 0 DFADMM C[C@H]1CC[C@@]2(CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC000824914980 609395809 /nfs/dbraw/zinc/39/58/09/609395809.db2.gz AUSANQBQJDTINY-ZUZCIYMTSA-N -1 1 317.418 2.581 20 0 DFADMM C[C@H]1CC[C@@]2(CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC000824914980 609395811 /nfs/dbraw/zinc/39/58/11/609395811.db2.gz AUSANQBQJDTINY-ZUZCIYMTSA-N -1 1 317.418 2.581 20 0 DFADMM Fc1cccc(CCOc2cccc(F)c2-c2nnn[n-]2)c1F ZINC000826376529 609491094 /nfs/dbraw/zinc/49/10/94/609491094.db2.gz IAYJKZXNEZIRTR-UHFFFAOYSA-N -1 1 320.274 2.906 20 0 DFADMM Fc1cccc(CCOc2cccc(F)c2-c2nn[n-]n2)c1F ZINC000826376529 609491095 /nfs/dbraw/zinc/49/10/95/609491095.db2.gz IAYJKZXNEZIRTR-UHFFFAOYSA-N -1 1 320.274 2.906 20 0 DFADMM Cc1ccc2c(c1)[C@@H](Nc1cccc(-c3nnn[n-]3)n1)[C@H](C)C2 ZINC000826294729 609570243 /nfs/dbraw/zinc/57/02/43/609570243.db2.gz ZYUCVHNWFDAJJV-BZNIZROVSA-N -1 1 306.373 2.916 20 0 DFADMM Cc1ccc2c(c1)[C@@H](Nc1cccc(-c3nn[n-]n3)n1)[C@H](C)C2 ZINC000826294729 609570246 /nfs/dbraw/zinc/57/02/46/609570246.db2.gz ZYUCVHNWFDAJJV-BZNIZROVSA-N -1 1 306.373 2.916 20 0 DFADMM C(=C/[C@@H]1CCCN1c1cccc(-c2nnn[n-]2)n1)\c1ccccc1 ZINC000823861997 609578569 /nfs/dbraw/zinc/57/85/69/609578569.db2.gz WPLXOQJOXGKTDJ-RUMSDORHSA-N -1 1 318.384 2.944 20 0 DFADMM C(=C/[C@@H]1CCCN1c1cccc(-c2nn[n-]n2)n1)\c1ccccc1 ZINC000823861997 609578571 /nfs/dbraw/zinc/57/85/71/609578571.db2.gz WPLXOQJOXGKTDJ-RUMSDORHSA-N -1 1 318.384 2.944 20 0 DFADMM CN(C[C@H]1CC=CCC1)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000825909157 609594852 /nfs/dbraw/zinc/59/48/52/609594852.db2.gz SJDUEDBTJWVDKN-LBPRGKRZSA-N -1 1 321.388 2.602 20 0 DFADMM CN(C[C@H]1CC=CCC1)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000825909157 609594854 /nfs/dbraw/zinc/59/48/54/609594854.db2.gz SJDUEDBTJWVDKN-LBPRGKRZSA-N -1 1 321.388 2.602 20 0 DFADMM CC(C)(C)[C@@H]1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000824079125 609602107 /nfs/dbraw/zinc/60/21/07/609602107.db2.gz NALDBCYRENUNNT-LLVKDONJSA-N -1 1 323.404 2.682 20 0 DFADMM CC(C)(C)[C@@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000824079125 609602109 /nfs/dbraw/zinc/60/21/09/609602109.db2.gz NALDBCYRENUNNT-LLVKDONJSA-N -1 1 323.404 2.682 20 0 DFADMM CCc1ccc([C@H](COC)NC(=O)c2ccc([O-])cc2F)o1 ZINC000181234621 199268725 /nfs/dbraw/zinc/26/87/25/199268725.db2.gz PYQFIEGXLZZXMP-AWEZNQCLSA-N -1 1 307.321 2.804 20 0 DFADMM CCCC[C@H](NC(N)=O)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278294199 214072502 /nfs/dbraw/zinc/07/25/02/214072502.db2.gz WZRBLPBEQSREFY-NSHDSACASA-N -1 1 324.768 2.995 20 0 DFADMM CCOc1cc(C(=O)N[C@H]2CCOC[C@@H]2C)cc(Cl)c1[O-] ZINC000278360616 214115478 /nfs/dbraw/zinc/11/54/78/214115478.db2.gz BJAZHBYUGJBMIO-CABZTGNLSA-N -1 1 313.781 2.599 20 0 DFADMM C[C@H](Cn1ccc2ccccc21)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000286550524 219048872 /nfs/dbraw/zinc/04/88/72/219048872.db2.gz UUHDKILCNDKJCD-CZUORRHYSA-N -1 1 302.374 2.852 20 0 DFADMM CCCC[C@H](CC)CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000079095598 185157737 /nfs/dbraw/zinc/15/77/37/185157737.db2.gz MEOGIAWJFUJXQO-LBPRGKRZSA-N -1 1 301.390 2.869 20 0 DFADMM CC(C)N(Cc1cccnc1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000079427689 185171044 /nfs/dbraw/zinc/17/10/44/185171044.db2.gz WOXDNHXGLXCJTO-UHFFFAOYSA-N -1 1 322.368 2.781 20 0 DFADMM COCCSCCCSc1nc(C2CC2)cc(=O)[n-]1 ZINC000278761189 214383305 /nfs/dbraw/zinc/38/33/05/214383305.db2.gz RLDBWXMRJNJVCW-UHFFFAOYSA-N -1 1 300.449 2.921 20 0 DFADMM Cc1cccc(NC(=O)CN2CCCC[C@@H]2CCC(=O)[O-])c1C ZINC000320343654 231193258 /nfs/dbraw/zinc/19/32/58/231193258.db2.gz DDFWOIHEDVLIMW-OAHLLOKOSA-N -1 1 318.417 2.961 20 0 DFADMM CCn1ccnc1[C@@H]1CCCCN1C(=O)c1ncc(C)cc1[O-] ZINC000331903987 529590589 /nfs/dbraw/zinc/59/05/89/529590589.db2.gz MCKBESNSBVETBM-ZDUSSCGKSA-N -1 1 314.389 2.679 20 0 DFADMM CC[C@@H](NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C)C(C)C ZINC000299622067 529592661 /nfs/dbraw/zinc/59/26/61/529592661.db2.gz FBVJATHRVTVMFB-CQSZACIVSA-N -1 1 318.421 2.535 20 0 DFADMM CN1CCN(C(=O)c2cc(F)ccc2[O-])Cc2ccccc21 ZINC000081958782 398377309 /nfs/dbraw/zinc/37/73/09/398377309.db2.gz CKPWNYRGFDIMAI-UHFFFAOYSA-N -1 1 300.333 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C[C@@]1(CNC(=O)c2c(F)ccc([O-])c2F)CCO[C@H]1C1CC1 ZINC000377834766 428243157 /nfs/dbraw/zinc/24/31/57/428243157.db2.gz NXYLKLPSHZQTNA-HOCLYGCPSA-N -1 1 311.328 2.605 20 0 DFADMM Cc1cnc(C(=O)N(C)[C@@H](c2ncc[nH]2)c2ccccc2)c([O-])c1 ZINC000352779750 428246010 /nfs/dbraw/zinc/24/60/10/428246010.db2.gz QQWVXLQARZJQPI-MRXNPFEDSA-N -1 1 322.368 2.680 20 0 DFADMM C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc(O)ccc1C(F)(F)F ZINC000356614269 428255447 /nfs/dbraw/zinc/25/54/47/428255447.db2.gz UJWMMVARXCHZMI-VHSXEESVSA-N -1 1 316.323 2.576 20 0 DFADMM Cc1cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c(C)n1C ZINC000352931574 428316834 /nfs/dbraw/zinc/31/68/34/428316834.db2.gz AJFLLJRKDSGIMK-UHFFFAOYSA-N -1 1 310.357 2.990 20 0 DFADMM COc1cc(C(=O)[N-]c2c(F)cccc2Br)on1 ZINC000346806397 428323710 /nfs/dbraw/zinc/32/37/10/428323710.db2.gz QXHHNKCPUCOISP-UHFFFAOYSA-N -1 1 315.098 2.837 20 0 DFADMM C[C@@]1(c2cccs2)C[C@@H]1CNC(=O)c1ccc2[nH]nnc2c1 ZINC000371037340 428344579 /nfs/dbraw/zinc/34/45/79/428344579.db2.gz 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Cc1cccc2nc(-c3ccc(-n4cncn4)c(C)c3)[n-]c(=O)c12 ZINC000361405772 428566324 /nfs/dbraw/zinc/56/63/24/428566324.db2.gz YYANIAVDOCBNKF-UHFFFAOYSA-N -1 1 317.352 2.788 20 0 DFADMM CCOc1cc(C(=O)N(CCOC)C2CC2)cc(Cl)c1[O-] ZINC000358501368 428604096 /nfs/dbraw/zinc/60/40/96/428604096.db2.gz UZOYNAJZMMWJAR-UHFFFAOYSA-N -1 1 313.781 2.695 20 0 DFADMM Cc1nc(S[C@@H](C)C(=O)N2CCC(C)CC2)[n-]c(=O)c1C ZINC000408125293 428605597 /nfs/dbraw/zinc/60/55/97/428605597.db2.gz XVYNRRDBZZPENQ-LBPRGKRZSA-N -1 1 309.435 2.538 20 0 DFADMM CCOC(=O)c1cnc(NC(=O)C[C@@H](C)c2ccc(F)cc2)[n-]1 ZINC000415628798 428606097 /nfs/dbraw/zinc/60/60/97/428606097.db2.gz AHSIHMDXVFTHGH-SNVBAGLBSA-N -1 1 319.336 2.858 20 0 DFADMM CCOC(=O)c1c[n-]c(NC(=O)C[C@@H](C)c2ccc(F)cc2)n1 ZINC000415628798 428606103 /nfs/dbraw/zinc/60/61/03/428606103.db2.gz AHSIHMDXVFTHGH-SNVBAGLBSA-N -1 1 319.336 2.858 20 0 DFADMM O=C([O-])CCc1cccc(NC(=O)Cc2[nH]nc3ccccc32)c1 ZINC000344011730 428606951 /nfs/dbraw/zinc/60/69/51/428606951.db2.gz 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/nfs/dbraw/zinc/44/49/92/430444992.db2.gz GLIDUGGAMDUNSE-UHFFFAOYSA-N -1 1 313.401 2.658 20 0 DFADMM C[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)C(F)F ZINC000641702693 430445239 /nfs/dbraw/zinc/44/52/39/430445239.db2.gz TXTQULOYWWVNLD-ZCFIWIBFSA-N -1 1 301.717 2.552 20 0 DFADMM O=c1[n-]nc([C@H]2CCCN(c3nc4ccc(F)cc4s3)C2)o1 ZINC000641549646 430420072 /nfs/dbraw/zinc/42/00/72/430420072.db2.gz BMFQWCPCXUMZKH-QMMMGPOBSA-N -1 1 320.349 2.908 20 0 DFADMM O=C([O-])[C@H]1CN(CCCSc2ccccc2Cl)CCO1 ZINC000583818192 430431502 /nfs/dbraw/zinc/43/15/02/430431502.db2.gz QKCMQUIZZBWSSU-GFCCVEGCSA-N -1 1 315.822 2.608 20 0 DFADMM COc1ccc2c(c1)C1(CC1)CN([C@@H](C(=O)[O-])c1cccnc1)C2 ZINC000569856852 430491870 /nfs/dbraw/zinc/49/18/70/430491870.db2.gz KGDDKGCNAZIPML-QGZVFWFLSA-N -1 1 324.380 2.763 20 0 DFADMM O=C(Nc1cccc(Cn2cccn2)c1)c1ccc(O)cc1[O-] ZINC000642150652 430501337 /nfs/dbraw/zinc/50/13/37/430501337.db2.gz WZSVDXBPLKGQIB-UHFFFAOYSA-N -1 1 309.325 2.595 20 0 DFADMM Cc1ccc2c([O-])c(C(=O)NCCC3CC(F)(F)C3)cnc2n1 ZINC000570143148 430516571 /nfs/dbraw/zinc/51/65/71/430516571.db2.gz RYHCTHJDRVYBLR-UHFFFAOYSA-N -1 1 321.327 2.809 20 0 DFADMM Cc1ccc2c(=O)c(C(=O)NCCC3CC(F)(F)C3)c[n-]c2n1 ZINC000570143148 430516574 /nfs/dbraw/zinc/51/65/74/430516574.db2.gz RYHCTHJDRVYBLR-UHFFFAOYSA-N -1 1 321.327 2.809 20 0 DFADMM CCCc1nc(C)c(C(=O)[N-]c2nnc([C@H]3CCCO3)s2)o1 ZINC000636357078 430523359 /nfs/dbraw/zinc/52/33/59/430523359.db2.gz KRJQLRXLQDXUHH-SECBINFHSA-N -1 1 322.390 2.891 20 0 DFADMM CC(C)c1nocc1C(=O)[N-]c1nnc([C@@H]2CCCO2)s1 ZINC000636359401 430523729 /nfs/dbraw/zinc/52/37/29/430523729.db2.gz OKRPIRQATHHHLW-VIFPVBQESA-N -1 1 308.363 2.753 20 0 DFADMM COc1cc(C(=O)N[C@H]2CCCn3nccc32)cc(Cl)c1[O-] ZINC000636381371 430531144 /nfs/dbraw/zinc/53/11/44/430531144.db2.gz TVUWIZVQJJHUNQ-NSHDSACASA-N -1 1 321.764 2.516 20 0 DFADMM C[C@@]1(CNC(=O)c2ccc([O-])c(F)c2)OCCc2sccc21 ZINC000642806802 430532521 /nfs/dbraw/zinc/53/25/21/430532521.db2.gz 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430577340 /nfs/dbraw/zinc/57/73/40/430577340.db2.gz LWTUMWMUEPZHJQ-HZSPNIEDSA-N -1 1 317.437 2.692 20 0 DFADMM C[C@@H]1CCN(Cc2cc(-c3cccs3)on2)C[C@@H]1C(=O)[O-] ZINC000570801679 430577764 /nfs/dbraw/zinc/57/77/64/430577764.db2.gz VWYLYYFINZDFPN-PWSUYJOCSA-N -1 1 306.387 2.946 20 0 DFADMM CSc1ccc([O-])c(C(=O)Nc2cc([C@@H]3C[C@H]3C)[nH]n2)c1 ZINC000616445766 430586544 /nfs/dbraw/zinc/58/65/44/430586544.db2.gz XMSCMMXJKZVZCY-PSASIEDQSA-N -1 1 303.387 3.213 20 0 DFADMM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1c[nH]nc1C1CC1 ZINC000570943410 430591384 /nfs/dbraw/zinc/59/13/84/430591384.db2.gz UFUUNEKWIUVVPF-UHFFFAOYSA-N -1 1 313.329 2.507 20 0 DFADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)[C@@H]1CC12CC2 ZINC000643370356 430593867 /nfs/dbraw/zinc/59/38/67/430593867.db2.gz VDCYOCFDSSOAAA-QMMMGPOBSA-N -1 1 304.737 2.569 20 0 DFADMM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)[C@@H]1CC12CC2 ZINC000643370356 430593868 /nfs/dbraw/zinc/59/38/68/430593868.db2.gz VDCYOCFDSSOAAA-QMMMGPOBSA-N -1 1 304.737 2.569 20 0 DFADMM 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O=C(c1ccsn1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000648490503 430805547 /nfs/dbraw/zinc/80/55/47/430805547.db2.gz ILYZWZHTOUQXBU-UHFFFAOYSA-N -1 1 316.382 2.584 20 0 DFADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])[C@H](O)C(F)(F)F ZINC000644739534 430807190 /nfs/dbraw/zinc/80/71/90/430807190.db2.gz BDDKCIOWQPXHTP-OQPBUACISA-N -1 1 313.275 2.587 20 0 DFADMM CC(C)(C)C1CC(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)C1 ZINC000644884211 430857232 /nfs/dbraw/zinc/85/72/32/430857232.db2.gz GGWWGAGNRCMXII-UNXYVOJBSA-N -1 1 307.394 2.554 20 0 DFADMM O=S(=O)([N-]C1(C2CCC2)CC1)c1ccc(F)c(F)c1F ZINC000651869945 430899246 /nfs/dbraw/zinc/89/92/46/430899246.db2.gz LNZNRUQHRMIWIR-UHFFFAOYSA-N -1 1 305.321 2.715 20 0 DFADMM Cn1ccnc1[C@@H]1C[C@H]([NH2+]Cc2cccc([O-])c2Cl)CCO1 ZINC000648870641 430918931 /nfs/dbraw/zinc/91/89/31/430918931.db2.gz WMDBAHOOXXCMBY-OCCSQVGLSA-N -1 1 321.808 2.789 20 0 DFADMM CCC[C@@H]1CCC[C@@H]1C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000648894400 430928555 /nfs/dbraw/zinc/92/85/55/430928555.db2.gz BVUUUZPTEVQPAR-SNPRPXQTSA-N -1 1 313.405 2.622 20 0 DFADMM COc1ccc2c(c1)[n-]cc(C(=O)N1CC[C@H]3CCC[C@@H]31)c2=O ZINC000665439237 430934479 /nfs/dbraw/zinc/93/44/79/430934479.db2.gz UGDKKRVPIDMXIQ-BZNIZROVSA-N -1 1 312.369 2.551 20 0 DFADMM O=C(NCCOCC1CCC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000648964784 430950544 /nfs/dbraw/zinc/95/05/44/430950544.db2.gz LOCAPUZJQBCRTB-UHFFFAOYSA-N -1 1 317.307 2.958 20 0 DFADMM O=c1nc(N[C@@H](C2CCC2)C2CCCCC2)nc2[nH][n-]cc1-2 ZINC000645373429 430986357 /nfs/dbraw/zinc/98/63/57/430986357.db2.gz JFVNWDXKJBOJBR-CYBMUJFWSA-N -1 1 301.394 2.593 20 0 DFADMM C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1C(=O)c1ncccc1[O-] ZINC000649084562 430995197 /nfs/dbraw/zinc/99/51/97/430995197.db2.gz SKHCQXFRENOZMZ-BZNIZROVSA-N -1 1 316.332 2.529 20 0 DFADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@@H]2COC[C@@H]21 ZINC000655406611 430995657 /nfs/dbraw/zinc/99/56/57/430995657.db2.gz BXZBZNULFKVRLT-SKDRFNHKSA-N -1 1 315.291 2.662 20 0 DFADMM O=S(=O)([N-]C1CCCCC1)c1ncccc1C(F)(F)F ZINC000645421739 430996756 /nfs/dbraw/zinc/99/67/56/430996756.db2.gz MWNRIPOQHLFPJG-UHFFFAOYSA-N -1 1 308.325 2.711 20 0 DFADMM C[C@@H]1CN(Cc2cccc(F)c2OC(F)F)C[C@H]1C(=O)[O-] ZINC000662212827 431000599 /nfs/dbraw/zinc/00/05/99/431000599.db2.gz YVYPMMQOQZCTPR-PSASIEDQSA-N -1 1 303.280 2.580 20 0 DFADMM C[C@@H](C(=O)N(C)c1ccccc1)N1CCC(CCC(=O)[O-])CC1 ZINC000662219377 431001651 /nfs/dbraw/zinc/00/16/51/431001651.db2.gz VLNGQRLNMXNESU-AWEZNQCLSA-N -1 1 318.417 2.615 20 0 DFADMM C[C@H]1CCCC[C@H]1N(C)C(=O)CN1CCC(CCC(=O)[O-])CC1 ZINC000662217591 431002275 /nfs/dbraw/zinc/00/22/75/431002275.db2.gz GRWZVDWSGBNZGD-GOEBONIOSA-N -1 1 324.465 2.600 20 0 DFADMM O=S(=O)([N-][C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cscn1 ZINC000645453445 431004534 /nfs/dbraw/zinc/00/45/34/431004534.db2.gz BXMHQUMHLZVKLL-HTQZYQBOSA-N -1 1 314.354 2.543 20 0 DFADMM O=C(c1c(F)ccc([O-])c1F)N1CC[C@H](c2cccnc2)C1 ZINC000648965754 430951629 /nfs/dbraw/zinc/95/16/29/430951629.db2.gz NBDQCKHQULMCSL-NSHDSACASA-N -1 1 304.296 2.695 20 0 DFADMM 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COc1cccc(O[C@@H](C)CNC(=O)c2ccc([O-])c(F)c2)c1 ZINC000681050981 545588673 /nfs/dbraw/zinc/58/86/73/545588673.db2.gz WJLBSNBYSIWODU-NSHDSACASA-N -1 1 319.332 2.737 20 0 DFADMM CC[C@H](NC(=O)c1ccc([O-])c(F)c1)c1c(C)nn(C)c1C ZINC000681050511 545588788 /nfs/dbraw/zinc/58/87/88/545588788.db2.gz YZWBCUHRCPDIHW-ZDUSSCGKSA-N -1 1 305.353 2.763 20 0 DFADMM O=C(NCc1cc(=O)[nH]c2ccccc12)c1ccc([O-])c(F)c1 ZINC000681050430 545588920 /nfs/dbraw/zinc/58/89/20/545588920.db2.gz GTJAOUHOXPMMSC-UHFFFAOYSA-N -1 1 312.300 2.715 20 0 DFADMM CCc1nc(C2(NC(=O)c3ccc([O-])c(F)c3)CCCC2)no1 ZINC000681052088 545588952 /nfs/dbraw/zinc/58/89/52/545588952.db2.gz OBNPMBRSKPVPPS-UHFFFAOYSA-N -1 1 319.336 2.676 20 0 DFADMM CN1CCN(C(=O)c2ccc([O-])c(F)c2)c2ccc(F)cc21 ZINC000681049277 545589102 /nfs/dbraw/zinc/58/91/02/545589102.db2.gz GRSLBBPZQRIMMX-UHFFFAOYSA-N -1 1 304.296 2.767 20 0 DFADMM COc1cccc2c1CC[C@H]2NC(=O)c1ccc([O-])c(F)c1 ZINC000681055272 545589786 /nfs/dbraw/zinc/58/97/86/545589786.db2.gz 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ZINC000684871720 546295655 /nfs/dbraw/zinc/29/56/55/546295655.db2.gz PGOJADDYOWWNGI-PRHODGIISA-N -1 1 303.280 2.708 20 0 DFADMM CC(=O)N(C)c1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000685426808 546347873 /nfs/dbraw/zinc/34/78/73/546347873.db2.gz DLSODCXLJRDXMB-UHFFFAOYSA-N -1 1 320.295 2.905 20 0 DFADMM CC(C)(CNC(=O)c1c(F)ccc([O-])c1F)[C@H]1CCCCO1 ZINC000685447692 546351704 /nfs/dbraw/zinc/35/17/04/546351704.db2.gz UMTKCNNHJQSHHL-GFCCVEGCSA-N -1 1 313.344 2.996 20 0 DFADMM O=C(Nc1c([O-])cccc1F)c1ccc2c(c1)SCC(=O)N2 ZINC000685743050 546386761 /nfs/dbraw/zinc/38/67/61/546386761.db2.gz NJYUFYYIQAUYJS-UHFFFAOYSA-N -1 1 318.329 2.828 20 0 DFADMM O=S(=O)(CCc1cccs1)[N-]c1cccc2n[nH]cc21 ZINC000685899805 546407299 /nfs/dbraw/zinc/40/72/99/546407299.db2.gz WICAAJFJXWNICW-UHFFFAOYSA-N -1 1 307.400 2.609 20 0 DFADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NC[C@@H]1CC=CCC1 ZINC000735399868 598960743 /nfs/dbraw/zinc/96/07/43/598960743.db2.gz MRIUFPNRPPTXKD-LLVKDONJSA-N -1 1 307.361 2.578 20 0 DFADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NC[C@@H]1CC=CCC1 ZINC000735399868 598960745 /nfs/dbraw/zinc/96/07/45/598960745.db2.gz MRIUFPNRPPTXKD-LLVKDONJSA-N -1 1 307.361 2.578 20 0 DFADMM CC(C)CC[C@@](C)(O)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000735797470 598974729 /nfs/dbraw/zinc/97/47/29/598974729.db2.gz PWACHXPAUHMODV-CQSZACIVSA-N -1 1 324.816 2.514 20 0 DFADMM CC(C)CC[C@@](C)(O)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000735797470 598974731 /nfs/dbraw/zinc/97/47/31/598974731.db2.gz PWACHXPAUHMODV-CQSZACIVSA-N -1 1 324.816 2.514 20 0 DFADMM Cc1cccc(N(C(=O)c2ccc(-c3nnn[n-]3)nc2)C(C)C)c1 ZINC000737395894 599002348 /nfs/dbraw/zinc/00/23/48/599002348.db2.gz BDUAQTJMIVLBHX-UHFFFAOYSA-N -1 1 322.372 2.625 20 0 DFADMM Cc1cccc(N(C(=O)c2ccc(-c3nn[n-]n3)nc2)C(C)C)c1 ZINC000737395894 599002349 /nfs/dbraw/zinc/00/23/49/599002349.db2.gz BDUAQTJMIVLBHX-UHFFFAOYSA-N -1 1 322.372 2.625 20 0 DFADMM CC(C)(C)SCCOC(=O)c1sccc1-c1nn[n-]n1 ZINC000735644536 599027854 /nfs/dbraw/zinc/02/78/54/599027854.db2.gz ZSWRIYAIUKHNIK-UHFFFAOYSA-N -1 1 312.420 2.617 20 0 DFADMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)CC[C@@H]1c1ccccc1 ZINC000820774378 599050529 /nfs/dbraw/zinc/05/05/29/599050529.db2.gz BOYCPRCPHVVCRS-HIFRSBDPSA-N -1 1 320.400 2.892 20 0 DFADMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)CC[C@@H]1c1ccccc1 ZINC000820774378 599050531 /nfs/dbraw/zinc/05/05/31/599050531.db2.gz BOYCPRCPHVVCRS-HIFRSBDPSA-N -1 1 320.400 2.892 20 0 DFADMM CS[C@H]1CC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000821951538 599074275 /nfs/dbraw/zinc/07/42/75/599074275.db2.gz ZZHHCZGVOAWQHL-RITPCOANSA-N -1 1 316.843 2.673 20 0 DFADMM CS[C@H]1CC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000821951538 599074277 /nfs/dbraw/zinc/07/42/77/599074277.db2.gz ZZHHCZGVOAWQHL-RITPCOANSA-N -1 1 316.843 2.673 20 0 DFADMM CC[C@@]1(C)CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000820949482 599089312 /nfs/dbraw/zinc/08/93/12/599089312.db2.gz BATSSZRXDDESJA-KRWDZBQOSA-N -1 1 323.404 2.826 20 0 DFADMM CC[C@@]1(C)CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000820949482 599089315 /nfs/dbraw/zinc/08/93/15/599089315.db2.gz BATSSZRXDDESJA-KRWDZBQOSA-N -1 1 323.404 2.826 20 0 DFADMM Fc1ccc2c(c1)nc(-c1ccc(-c3nnn[n-]3)o1)n2C1CC1 ZINC000822786240 599156626 /nfs/dbraw/zinc/15/66/26/599156626.db2.gz FXTWPWORCNBHHK-UHFFFAOYSA-N -1 1 310.292 2.950 20 0 DFADMM Fc1ccc2c(c1)nc(-c1ccc(-c3nn[n-]n3)o1)n2C1CC1 ZINC000822786240 599156628 /nfs/dbraw/zinc/15/66/28/599156628.db2.gz FXTWPWORCNBHHK-UHFFFAOYSA-N -1 1 310.292 2.950 20 0 DFADMM CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N(C)CCC(=O)[O-] ZINC000818136072 596996096 /nfs/dbraw/zinc/99/60/96/596996096.db2.gz DULPLRHLQGTIIE-QWHCGFSZSA-N -1 1 306.406 2.934 20 0 DFADMM Cc1ccc(CN(C)c2snc(Cl)c2-c2nnn[n-]2)o1 ZINC000822237036 607302946 /nfs/dbraw/zinc/30/29/46/607302946.db2.gz BJHOWJVZERJGGJ-UHFFFAOYSA-N -1 1 310.770 2.514 20 0 DFADMM Cc1ccc(CN(C)c2snc(Cl)c2-c2nn[n-]n2)o1 ZINC000822237036 607302947 /nfs/dbraw/zinc/30/29/47/607302947.db2.gz BJHOWJVZERJGGJ-UHFFFAOYSA-N -1 1 310.770 2.514 20 0 DFADMM O=C(Oc1cc(Cl)ccc1F)c1sccc1-c1nn[n-]n1 ZINC000738251410 599263276 /nfs/dbraw/zinc/26/32/76/599263276.db2.gz NQMYTTHAPDRLJS-UHFFFAOYSA-N -1 1 324.724 2.940 20 0 DFADMM c1cc(-c2nn[n-]n2)sc1CNc1ccc2c(c1)CCCO2 ZINC000823766698 607316686 /nfs/dbraw/zinc/31/66/86/607316686.db2.gz HSLSDWNDSIFBQC-UHFFFAOYSA-N -1 1 313.386 2.865 20 0 DFADMM Cn1ccnc1[C@H](NC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000821304847 598114328 /nfs/dbraw/zinc/11/43/28/598114328.db2.gz IDWQNMMXQGJAKH-UYSNPLJNSA-N -1 1 313.401 2.743 20 0 DFADMM O=C([O-])C[C@H]1CCCN(Cc2cnc3ccc(Cl)cn23)C1 ZINC000821516429 598151776 /nfs/dbraw/zinc/15/17/76/598151776.db2.gz UVSWDRRGFMNULR-LLVKDONJSA-N -1 1 307.781 2.674 20 0 DFADMM CC(=O)Nc1cccc2c1CCN(Cc1cccc(C(=O)[O-])c1)C2 ZINC000819796729 598210569 /nfs/dbraw/zinc/21/05/69/598210569.db2.gz IMWAGKNABYCUHM-UHFFFAOYSA-N -1 1 324.380 2.902 20 0 DFADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(F)c(F)c1 ZINC000736140196 599394305 /nfs/dbraw/zinc/39/43/05/599394305.db2.gz ZQLXDMGAXSQLPF-MRVPVSSYSA-N -1 1 302.288 2.713 20 0 DFADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(F)c(F)c1 ZINC000736140196 599394308 /nfs/dbraw/zinc/39/43/08/599394308.db2.gz ZQLXDMGAXSQLPF-MRVPVSSYSA-N -1 1 302.288 2.713 20 0 DFADMM CN(Cc1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)n1 ZINC000736827993 599395433 /nfs/dbraw/zinc/39/54/33/599395433.db2.gz KHBANAPHDWJOCI-UHFFFAOYSA-N -1 1 300.753 2.552 20 0 DFADMM CN(Cc1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)n1 ZINC000736827993 599395436 /nfs/dbraw/zinc/39/54/36/599395436.db2.gz KHBANAPHDWJOCI-UHFFFAOYSA-N -1 1 300.753 2.552 20 0 DFADMM COc1ccc(C)cc1[C@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000737073309 599397526 /nfs/dbraw/zinc/39/75/26/599397526.db2.gz BFDZYORWWQTMTO-NSHDSACASA-N -1 1 310.361 2.752 20 0 DFADMM COc1ccc(C)cc1[C@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000737073309 599397529 /nfs/dbraw/zinc/39/75/29/599397529.db2.gz BFDZYORWWQTMTO-NSHDSACASA-N -1 1 310.361 2.752 20 0 DFADMM C[C@@H](OCCCNc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000736163744 599399100 /nfs/dbraw/zinc/39/91/00/599399100.db2.gz JUCQLTHJKFMFNV-CYBMUJFWSA-N -1 1 324.388 2.842 20 0 DFADMM C[C@@H](OCCCNc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000736163744 599399104 /nfs/dbraw/zinc/39/91/04/599399104.db2.gz JUCQLTHJKFMFNV-CYBMUJFWSA-N -1 1 324.388 2.842 20 0 DFADMM COc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1Cl ZINC000821836024 599409590 /nfs/dbraw/zinc/40/95/90/599409590.db2.gz YJTNCHRYXNZAQY-UHFFFAOYSA-N -1 1 305.725 2.734 20 0 DFADMM COc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1Cl ZINC000821836024 599409592 /nfs/dbraw/zinc/40/95/92/599409592.db2.gz YJTNCHRYXNZAQY-UHFFFAOYSA-N -1 1 305.725 2.734 20 0 DFADMM Clc1ccc(CCNc2cccc(-c3nnn[n-]3)n2)s1 ZINC000737576266 599412674 /nfs/dbraw/zinc/41/26/74/599412674.db2.gz OSFWSEZXHZMAIZ-UHFFFAOYSA-N -1 1 306.782 2.631 20 0 DFADMM Clc1ccc(CCNc2cccc(-c3nn[n-]n3)n2)s1 ZINC000737576266 599412676 /nfs/dbraw/zinc/41/26/76/599412676.db2.gz OSFWSEZXHZMAIZ-UHFFFAOYSA-N -1 1 306.782 2.631 20 0 DFADMM c1cc(NCc2ccc(-c3nnn[n-]3)o2)n(C2CCCCC2)n1 ZINC000823756677 599426745 /nfs/dbraw/zinc/42/67/45/599426745.db2.gz DZSVWDHZIWFRIB-UHFFFAOYSA-N -1 1 313.365 2.774 20 0 DFADMM c1cc(NCc2ccc(-c3nn[n-]n3)o2)n(C2CCCCC2)n1 ZINC000823756677 599426746 /nfs/dbraw/zinc/42/67/46/599426746.db2.gz DZSVWDHZIWFRIB-UHFFFAOYSA-N -1 1 313.365 2.774 20 0 DFADMM C[C@H]1C[C@H](c2ccccc2)CN1c1cccc(-c2nnn[n-]2)n1 ZINC000736237646 599437914 /nfs/dbraw/zinc/43/79/14/599437914.db2.gz YGWNOKZMLJFQQA-JSGCOSHPSA-N -1 1 306.373 2.644 20 0 DFADMM C[C@H]1C[C@H](c2ccccc2)CN1c1cccc(-c2nn[n-]n2)n1 ZINC000736237646 599437916 /nfs/dbraw/zinc/43/79/16/599437916.db2.gz YGWNOKZMLJFQQA-JSGCOSHPSA-N -1 1 306.373 2.644 20 0 DFADMM Cc1ccccc1[C@@H]1C[C@H](C)N(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000737421464 599529364 /nfs/dbraw/zinc/52/93/64/599529364.db2.gz IWRNILIRFOPMAX-UONOGXRCSA-N -1 1 320.400 2.953 20 0 DFADMM Cc1ccccc1[C@@H]1C[C@H](C)N(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000737421464 599529365 /nfs/dbraw/zinc/52/93/65/599529365.db2.gz IWRNILIRFOPMAX-UONOGXRCSA-N -1 1 320.400 2.953 20 0 DFADMM CC[C@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736326629 599603866 /nfs/dbraw/zinc/60/38/66/599603866.db2.gz OXNNVOWZCBWXDT-VIFPVBQESA-N -1 1 315.333 2.514 20 0 DFADMM CC[C@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736326629 599603868 /nfs/dbraw/zinc/60/38/68/599603868.db2.gz OXNNVOWZCBWXDT-VIFPVBQESA-N -1 1 315.333 2.514 20 0 DFADMM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCOc2ccccc2C1 ZINC000739519208 599712494 /nfs/dbraw/zinc/71/24/94/599712494.db2.gz WRCFKQNHPPOAOV-MRXNPFEDSA-N -1 1 301.317 2.846 20 0 DFADMM CC(C)CCN1Cc2cccc(NC(=O)CCNC(=O)[O-])c2C1 ZINC000736426309 599732039 /nfs/dbraw/zinc/73/20/39/599732039.db2.gz LFTXDKXDFKBHSH-UHFFFAOYSA-N -1 1 319.405 2.645 20 0 DFADMM CC[C@H](C)N(C)CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000736882319 599756466 /nfs/dbraw/zinc/75/64/66/599756466.db2.gz GEVCIHSTKFYPGT-JTQLQIEISA-N -1 1 324.446 2.994 20 0 DFADMM CC[C@@H]1CCCN1CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000736940847 599773018 /nfs/dbraw/zinc/77/30/18/599773018.db2.gz UWLIHCYYDCLJFA-SNVBAGLBSA-N -1 1 322.430 2.748 20 0 DFADMM Cc1cc2cn[nH]c2c(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC000738336109 599816729 /nfs/dbraw/zinc/81/67/29/599816729.db2.gz WUNQLCAQEYVDHV-UHFFFAOYSA-N -1 1 313.288 2.961 20 0 DFADMM COC(=O)CCN(Cc1cc(C(=O)[O-])co1)Cc1ccccc1 ZINC000737599138 599849598 /nfs/dbraw/zinc/84/95/98/599849598.db2.gz PWGPKLWDIOMTJE-UHFFFAOYSA-N -1 1 317.341 2.543 20 0 DFADMM CC(C)C[C@@H](NC(=O)CN1CCC2(CCCCC2)CC1)C(=O)[O-] ZINC000736412976 599852977 /nfs/dbraw/zinc/85/29/77/599852977.db2.gz QQCGBBUIVOKUON-OAHLLOKOSA-N -1 1 324.465 2.648 20 0 DFADMM O=C([O-])c1sccc1NS(=O)(=O)c1ccc(Cl)s1 ZINC000035306453 599873446 /nfs/dbraw/zinc/87/34/46/599873446.db2.gz GUOODICBLRMEHR-UHFFFAOYSA-N -1 1 323.804 2.962 20 0 DFADMM COc1ccc(F)cc1CN1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000321221923 599965247 /nfs/dbraw/zinc/96/52/47/599965247.db2.gz KTPRTWMLVBQPGB-MRXNPFEDSA-N -1 1 315.344 2.846 20 0 DFADMM CC1(C)CCC[C@@H](COC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000824803050 607413539 /nfs/dbraw/zinc/41/35/39/607413539.db2.gz SCDMKPBBBTWXIY-LLVKDONJSA-N -1 1 315.377 2.635 20 0 DFADMM CC1(C)CCC[C@@H](COC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000824803050 607413542 /nfs/dbraw/zinc/41/35/42/607413542.db2.gz SCDMKPBBBTWXIY-LLVKDONJSA-N -1 1 315.377 2.635 20 0 DFADMM Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@H](C(=O)[O-])C(C)C ZINC000738228372 600029664 /nfs/dbraw/zinc/02/96/64/600029664.db2.gz SVOPAJNQTCXZOR-ZDUSSCGKSA-N -1 1 302.330 2.651 20 0 DFADMM CN(C)[C@H](CNc1nc(Cl)c(C(=O)[O-])s1)c1ccco1 ZINC000737358811 600075049 /nfs/dbraw/zinc/07/50/49/600075049.db2.gz QVNHOAGFNFHUBE-SSDOTTSWSA-N -1 1 315.782 2.803 20 0 DFADMM CCN(C(=O)CNC1(C(=O)[O-])CCCCC1)C1CCCCC1 ZINC000737060659 600150359 /nfs/dbraw/zinc/15/03/59/600150359.db2.gz QOQRJXLODRPLIG-UHFFFAOYSA-N -1 1 310.438 2.545 20 0 DFADMM CCC[C@@](C)(NCC(=O)N[C@H](C)c1ccc(C)c(C)c1)C(=O)[O-] ZINC000736966066 600151988 /nfs/dbraw/zinc/15/19/88/600151988.db2.gz ZFPQAYIZKGMFFT-RDTXWAMCSA-N -1 1 320.433 2.714 20 0 DFADMM CCC[C@](C)(NCC(=O)N[C@@H](C)c1ccc(C)c(C)c1)C(=O)[O-] ZINC000736966065 600152013 /nfs/dbraw/zinc/15/20/13/600152013.db2.gz ZFPQAYIZKGMFFT-KSSFIOAISA-N -1 1 320.433 2.714 20 0 DFADMM CCC[C@](C)(NCC(=O)Nc1cccc(SC)c1)C(=O)[O-] ZINC000736964285 600152767 /nfs/dbraw/zinc/15/27/67/600152767.db2.gz MNHZBZRUJLSSJT-HNNXBMFYSA-N -1 1 310.419 2.580 20 0 DFADMM O=C([O-])[C@H]1CC12CCN(Cn1ccc(-c3ccccc3)n1)CC2 ZINC000739537062 600281589 /nfs/dbraw/zinc/28/15/89/600281589.db2.gz UBURUEHFXCPMKF-OAHLLOKOSA-N -1 1 311.385 2.694 20 0 DFADMM C[C@@H](CN(C)CC(=O)Nc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000042707377 600363683 /nfs/dbraw/zinc/36/36/83/600363683.db2.gz QVIBLXBULYTFJW-QMMMGPOBSA-N -1 1 319.188 2.584 20 0 DFADMM C[C@H](CN(C)Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000042707075 600368658 /nfs/dbraw/zinc/36/86/58/600368658.db2.gz GJTDYQGKHFWTGC-SECBINFHSA-N -1 1 309.753 2.543 20 0 DFADMM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1cccs1)N1CCCCCC1 ZINC000736212245 600382909 /nfs/dbraw/zinc/38/29/09/600382909.db2.gz RWZJPRVXEZLEGW-QWHCGFSZSA-N -1 1 324.446 2.645 20 0 DFADMM 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CCN(Cc1ccnc(-c2nnn[n-]2)c1)c1ccc(F)c(F)c1 ZINC000825439619 607516613 /nfs/dbraw/zinc/51/66/13/607516613.db2.gz HVQQHGPQDGZVNJ-UHFFFAOYSA-N -1 1 316.315 2.566 20 0 DFADMM CCN(Cc1ccnc(-c2nn[n-]n2)c1)c1ccc(F)c(F)c1 ZINC000825439619 607516615 /nfs/dbraw/zinc/51/66/15/607516615.db2.gz HVQQHGPQDGZVNJ-UHFFFAOYSA-N -1 1 316.315 2.566 20 0 DFADMM CCN(Cc1ccnc(-c2nnn[n-]2)c1)c1cc(C)cc(C)c1 ZINC000825439725 607516886 /nfs/dbraw/zinc/51/68/86/607516886.db2.gz LXEMGRYQZBXRBY-UHFFFAOYSA-N -1 1 308.389 2.905 20 0 DFADMM CCN(Cc1ccnc(-c2nn[n-]n2)c1)c1cc(C)cc(C)c1 ZINC000825439725 607516887 /nfs/dbraw/zinc/51/68/87/607516887.db2.gz LXEMGRYQZBXRBY-UHFFFAOYSA-N -1 1 308.389 2.905 20 0 DFADMM CN1CCN(Cc2ccc(C(=O)[O-])c(F)c2)Cc2ccccc21 ZINC000830954960 601628573 /nfs/dbraw/zinc/62/85/73/601628573.db2.gz UEEVZBAMSXOUMO-UHFFFAOYSA-N -1 1 314.360 2.976 20 0 DFADMM CC[C@@H](C)[C@H](NC(=O)CN(Cc1ccccc1)C(C)C)C(=O)[O-] ZINC000032077320 601634099 /nfs/dbraw/zinc/63/40/99/601634099.db2.gz HATAXURJENLZMS-PBHICJAKSA-N 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604668306 /nfs/dbraw/zinc/66/83/06/604668306.db2.gz SGOZABMBUFWDRG-QPUJVOFHSA-N -1 1 305.271 2.997 20 0 DFADMM C[C@@H]1CN(Cc2cc(C(F)(F)F)ccc2F)C[C@H]1C(=O)[O-] ZINC000833631082 604670382 /nfs/dbraw/zinc/67/03/82/604670382.db2.gz ZUOZXLWQXZRCBT-LDYMZIIASA-N -1 1 305.271 2.997 20 0 DFADMM C[C@@H](C(=O)OCc1ccc(C(=O)[O-])cc1F)N1CCCCCC1 ZINC000833408649 604705127 /nfs/dbraw/zinc/70/51/27/604705127.db2.gz FRPYMMUFCRKGAA-LBPRGKRZSA-N -1 1 323.364 2.832 20 0 DFADMM O=C([O-])[C@@H](NCc1ccccc1OC(F)F)c1cccnc1 ZINC000833170145 604990468 /nfs/dbraw/zinc/99/04/68/604990468.db2.gz PXYHLAAJRCFQMC-ZDUSSCGKSA-N -1 1 308.284 2.599 20 0 DFADMM CC(C)c1nc([C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2)n[nH]1 ZINC000833512773 605018406 /nfs/dbraw/zinc/01/84/06/605018406.db2.gz UKELAYHDBWWVOH-SECBINFHSA-N -1 1 317.349 2.509 20 0 DFADMM CC(C)c1nc([C@H](C)NC(=O)Nc2cc(C(=O)[O-])cs2)n[nH]1 ZINC000833512324 605020800 /nfs/dbraw/zinc/02/08/00/605020800.db2.gz LTXKSNAABZHMLC-ZETCQYMHSA-N -1 1 323.378 2.571 20 0 DFADMM CC(=O)C(C)(C)CCC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833388011 605057632 /nfs/dbraw/zinc/05/76/32/605057632.db2.gz PJKMHINNXGWZEW-UHFFFAOYSA-N -1 1 317.345 2.595 20 0 DFADMM CC1(O)CCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC000833571753 605130379 /nfs/dbraw/zinc/13/03/79/605130379.db2.gz LGWDGEOYXHWPCE-LBPRGKRZSA-N -1 1 318.200 2.966 20 0 DFADMM CCc1oc(C(=O)[O-])cc1CN[C@H](CO)c1ccccc1C ZINC000833680247 605138651 /nfs/dbraw/zinc/13/86/51/605138651.db2.gz GTNIOLMRNSOXAT-CQSZACIVSA-N -1 1 303.358 2.672 20 0 DFADMM C[C@H]1CC[C@]2(CCN(CC(=O)Nc3ccccc3C(=O)[O-])C2)C1 ZINC000833610502 605140786 /nfs/dbraw/zinc/14/07/86/605140786.db2.gz IOZJANSBQHVOOD-UGSOOPFHSA-N -1 1 316.401 2.835 20 0 DFADMM CC(C)(C)C[C@H](Sc1nc(-c2cccnc2)n[nH]1)C(=O)[O-] ZINC000833430658 605152789 /nfs/dbraw/zinc/15/27/89/605152789.db2.gz YJDJUYMIEZROII-JTQLQIEISA-N -1 1 306.391 2.848 20 0 DFADMM CCN1C[C@@H](C)N(C(=O)Nc2cccc(NC(=O)[O-])c2)C[C@H]1C ZINC000833656844 605154598 /nfs/dbraw/zinc/15/45/98/605154598.db2.gz KMBPDSMBQKGEQV-VXGBXAGGSA-N -1 1 320.393 2.723 20 0 DFADMM CCN1C[C@@H](C)N(C(=O)Nc2ccc(C)cc2C(=O)[O-])C[C@@H]1C ZINC000833657153 605165267 /nfs/dbraw/zinc/16/52/67/605165267.db2.gz LKYDGZFUIWDYNY-QWHCGFSZSA-N -1 1 319.405 2.640 20 0 DFADMM C[C@@H](Nc1cncc(C(=O)[O-])n1)c1nc2ccc(Cl)cc2[nH]1 ZINC000833524909 605184100 /nfs/dbraw/zinc/18/41/00/605184100.db2.gz KXEPWFZTFVITGL-SSDOTTSWSA-N -1 1 317.736 2.878 20 0 DFADMM C[C@@H](CC(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1)C1CCCCC1 ZINC000833514712 605250449 /nfs/dbraw/zinc/25/04/49/605250449.db2.gz ZIYRKJHBYSTUCC-LSDHHAIUSA-N -1 1 324.465 2.600 20 0 DFADMM Cc1nc2cc(NCC3CCN(C(=O)[O-])CC3)ccc2n1C ZINC000830784893 605259766 /nfs/dbraw/zinc/25/97/66/605259766.db2.gz FCXOUIHPUMJKGR-UHFFFAOYSA-N -1 1 302.378 2.684 20 0 DFADMM CCC[C@H](C)[C@H]1CCCN1Cc1nc(C(C)(C)NC(=O)[O-])no1 ZINC000826729123 605281207 /nfs/dbraw/zinc/28/12/07/605281207.db2.gz RGUASQXCXHQLBT-NWDGAFQWSA-N -1 1 324.425 2.973 20 0 DFADMM O=C([O-])N1CCCN1C(=O)c1cc(Cl)c2ccccc2c1O ZINC000834111755 605319373 /nfs/dbraw/zinc/31/93/73/605319373.db2.gz BHQHJGUUKPLVGE-UHFFFAOYSA-N -1 1 320.732 2.940 20 0 DFADMM COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)N1CC[C@@H](C(C)(C)C)C1 ZINC000833702255 605429649 /nfs/dbraw/zinc/42/96/49/605429649.db2.gz RTXPBSOWTTYVKS-HUUCEWRRSA-N -1 1 319.401 2.967 20 0 DFADMM CC(C)c1noc([C@H](C)N2C[C@@H]3CCC[C@H](NC(=O)[O-])[C@H]3C2)n1 ZINC000833800899 605454964 /nfs/dbraw/zinc/45/49/64/605454964.db2.gz YGMHUDKLWCKMQR-CYDGBPFRSA-N -1 1 322.409 2.622 20 0 DFADMM CCCN(Cc1nccn1C(F)F)C1CCN(C(=O)[O-])CC1 ZINC000826915932 605468798 /nfs/dbraw/zinc/46/87/98/605468798.db2.gz AAZMPLVOMGENEJ-UHFFFAOYSA-N -1 1 316.352 2.633 20 0 DFADMM CCCN(Cc1nc(C(C)C)no1)C1CCN(C(=O)[O-])CC1 ZINC000826916026 605469658 /nfs/dbraw/zinc/46/96/58/605469658.db2.gz CQDDFYBRPNFJPE-UHFFFAOYSA-N -1 1 310.398 2.547 20 0 DFADMM C[C@H](C(=O)OCc1ccccc1C(=O)[O-])N1[C@H](C)CC[C@@H]1C ZINC000833603059 605510831 /nfs/dbraw/zinc/51/08/31/605510831.db2.gz LZJZXWSRRBRLFZ-FRRDWIJNSA-N -1 1 305.374 2.689 20 0 DFADMM O=C([O-])NC[C@@H]1CCCCN1Cc1cnc(-c2ccccc2)[nH]1 ZINC000834217336 605558210 /nfs/dbraw/zinc/55/82/10/605558210.db2.gz CZPJLTKHCYBGJU-HNNXBMFYSA-N -1 1 314.389 2.699 20 0 DFADMM O=C([O-])N1CC[C@@H](c2ccccc2)[C@H](NCc2nccs2)C1 ZINC000834087993 605582594 /nfs/dbraw/zinc/58/25/94/605582594.db2.gz VHWFPDUYYSRFSK-UONOGXRCSA-N -1 1 317.414 2.769 20 0 DFADMM CCOc1cc(CN2CCC(N(C)C(=O)[O-])CC2)ccc1OC ZINC000833861269 605591706 /nfs/dbraw/zinc/59/17/06/605591706.db2.gz IGJQTHZXGFMSRW-UHFFFAOYSA-N -1 1 322.405 2.668 20 0 DFADMM O=C([O-])NC[C@@H]1CCC[C@@H]1NCc1c(F)c(F)cc(F)c1F ZINC000834215902 605642976 /nfs/dbraw/zinc/64/29/76/605642976.db2.gz QRDKHJRRMPDFRK-CPCISQLKSA-N -1 1 320.286 2.769 20 0 DFADMM O=C([O-])N[C@@H]1C[C@@H](NCc2ccc(F)cn2)c2ccccc21 ZINC000834157177 605801708 /nfs/dbraw/zinc/80/17/08/605801708.db2.gz GSHJHXNVBXGMRK-HUUCEWRRSA-N -1 1 301.321 2.764 20 0 DFADMM O=C([O-])N[C@@H]1C[C@H](N[C@@H]2c3ccccc3C[C@@H]2O)c2ccccc21 ZINC000834159212 605802311 /nfs/dbraw/zinc/80/23/11/605802311.db2.gz RESHXHBVDCXOBU-XWTMOSNGSA-N -1 1 324.380 2.688 20 0 DFADMM O=C([O-])NCc1cccc(NC(=O)c2ccc(F)cc2O)c1 ZINC000834247276 605830073 /nfs/dbraw/zinc/83/00/73/605830073.db2.gz PFZDAGUMDZTDDO-UHFFFAOYSA-N -1 1 304.277 2.551 20 0 DFADMM C[C@@H](CCN[C@@H](C)c1ncc(Br)s1)NC(=O)[O-] ZINC000833805614 605848448 /nfs/dbraw/zinc/84/84/48/605848448.db2.gz RZADGJVMXRPVHD-BQBZGAKWSA-N -1 1 322.228 2.602 20 0 DFADMM CCn1c2ccccc2nc1[C@@H](C)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000833867767 605945113 /nfs/dbraw/zinc/94/51/13/605945113.db2.gz SMIOQIOLEYOQOH-OLZOCXBDSA-N -1 1 316.405 2.849 20 0 DFADMM O=C([O-])N[C@H]1CCC[C@H]1NCc1cc(-c2ccccc2)on1 ZINC000834176819 605982643 /nfs/dbraw/zinc/98/26/43/605982643.db2.gz UTZXPJJPVMPTMU-KGLIPLIRSA-N -1 1 301.346 2.620 20 0 DFADMM O=C([O-])N[C@H]1CCC[C@@H]1NCc1coc(-c2ccccc2)n1 ZINC000834176810 605985559 /nfs/dbraw/zinc/98/55/59/605985559.db2.gz USZUKFBHOQPFEH-KBPBESRZSA-N -1 1 301.346 2.620 20 0 DFADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(F)cc1 ZINC000820511640 606131815 /nfs/dbraw/zinc/13/18/15/606131815.db2.gz ACXYQFGBQVWWKK-MRVPVSSYSA-N -1 1 318.333 2.985 20 0 DFADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(F)cc1 ZINC000820511640 606131816 /nfs/dbraw/zinc/13/18/16/606131816.db2.gz ACXYQFGBQVWWKK-MRVPVSSYSA-N -1 1 318.333 2.985 20 0 DFADMM C[C@@H](CNc1cccc(-c2nnn[n-]2)n1)c1nc2ccccc2o1 ZINC000820280910 606138340 /nfs/dbraw/zinc/13/83/40/606138340.db2.gz PEGHKLMNOKGWPF-JTQLQIEISA-N -1 1 321.344 2.619 20 0 DFADMM C[C@@H](CNc1cccc(-c2nn[n-]n2)n1)c1nc2ccccc2o1 ZINC000820280910 606138341 /nfs/dbraw/zinc/13/83/41/606138341.db2.gz PEGHKLMNOKGWPF-JTQLQIEISA-N -1 1 321.344 2.619 20 0 DFADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccc(F)c1 ZINC000820512510 606138968 /nfs/dbraw/zinc/13/89/68/606138968.db2.gz LSRUTJBSFOIFHN-MRVPVSSYSA-N -1 1 318.333 2.985 20 0 DFADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)c1cccc(F)c1 ZINC000820512510 606138971 /nfs/dbraw/zinc/13/89/71/606138971.db2.gz LSRUTJBSFOIFHN-MRVPVSSYSA-N -1 1 318.333 2.985 20 0 DFADMM CC[C@H](CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])C(C)C ZINC000820881993 606293926 /nfs/dbraw/zinc/29/39/26/606293926.db2.gz HDLFMPJFDNGMFQ-SNVBAGLBSA-N -1 1 303.366 2.583 20 0 DFADMM Fc1cccc(C[C@@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)c1 ZINC000822786700 606399812 /nfs/dbraw/zinc/39/98/12/606399812.db2.gz NDUKHDAALYGEFO-AWEZNQCLSA-N -1 1 324.363 2.612 20 0 DFADMM Fc1cccc(C[C@@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)c1 ZINC000822786700 606399813 /nfs/dbraw/zinc/39/98/13/606399813.db2.gz NDUKHDAALYGEFO-AWEZNQCLSA-N -1 1 324.363 2.612 20 0 DFADMM CCN(Cc1ccoc1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821230428 606464125 /nfs/dbraw/zinc/46/41/25/606464125.db2.gz KHGORRDRXRGQSZ-UHFFFAOYSA-N -1 1 304.741 2.535 20 0 DFADMM CCN(Cc1ccoc1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821230428 606464127 /nfs/dbraw/zinc/46/41/27/606464127.db2.gz KHGORRDRXRGQSZ-UHFFFAOYSA-N -1 1 304.741 2.535 20 0 DFADMM Clc1ccc(N2CCC[C@H]3CCC[C@H]32)nc1-c1nnn[n-]1 ZINC000822578594 606469184 /nfs/dbraw/zinc/46/91/84/606469184.db2.gz LHGUIGIHAUCVLI-MWLCHTKSSA-N -1 1 304.785 2.684 20 0 DFADMM Clc1ccc(N2CCC[C@H]3CCC[C@H]32)nc1-c1nn[n-]n1 ZINC000822578594 606469185 /nfs/dbraw/zinc/46/91/85/606469185.db2.gz LHGUIGIHAUCVLI-MWLCHTKSSA-N -1 1 304.785 2.684 20 0 DFADMM O=C(NC1CCCCCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823150045 606488129 /nfs/dbraw/zinc/48/81/29/606488129.db2.gz KKKHNKWJFVZHSK-UHFFFAOYSA-N -1 1 305.407 2.771 20 0 DFADMM O=C(NC1CCCCCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823150045 606488131 /nfs/dbraw/zinc/48/81/31/606488131.db2.gz KKKHNKWJFVZHSK-UHFFFAOYSA-N -1 1 305.407 2.771 20 0 DFADMM C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820563808 606494661 /nfs/dbraw/zinc/49/46/61/606494661.db2.gz VNLRYFDUIKLIFJ-JTQLQIEISA-N -1 1 313.386 2.761 20 0 DFADMM C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820563808 606494662 /nfs/dbraw/zinc/49/46/62/606494662.db2.gz VNLRYFDUIKLIFJ-JTQLQIEISA-N -1 1 313.386 2.761 20 0 DFADMM C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820698106 606504541 /nfs/dbraw/zinc/50/45/41/606504541.db2.gz PXMUNJZRLYOEQP-VHSXEESVSA-N -1 1 305.407 2.579 20 0 DFADMM C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820698106 606504539 /nfs/dbraw/zinc/50/45/39/606504539.db2.gz PXMUNJZRLYOEQP-VHSXEESVSA-N -1 1 305.407 2.579 20 0 DFADMM CCCCN(C(=O)c1ccc(-c2nnn[n-]2)s1)[C@H](C)CC ZINC000821061695 606506577 /nfs/dbraw/zinc/50/65/77/606506577.db2.gz SDEXVZJRCFTDFV-SNVBAGLBSA-N -1 1 307.423 2.969 20 0 DFADMM CCCCN(C(=O)c1ccc(-c2nn[n-]n2)s1)[C@H](C)CC ZINC000821061695 606506578 /nfs/dbraw/zinc/50/65/78/606506578.db2.gz SDEXVZJRCFTDFV-SNVBAGLBSA-N -1 1 307.423 2.969 20 0 DFADMM CC[C@H]1CCCCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820979079 606569303 /nfs/dbraw/zinc/56/93/03/606569303.db2.gz DYMWNXAIKPAOGC-JTQLQIEISA-N -1 1 305.407 2.723 20 0 DFADMM CC[C@H]1CCCCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820979079 606569304 /nfs/dbraw/zinc/56/93/04/606569304.db2.gz DYMWNXAIKPAOGC-JTQLQIEISA-N -1 1 305.407 2.723 20 0 DFADMM CCC1(CNc2c3ccccc3nnc2-c2nnn[n-]2)CCC1 ZINC000820962518 606593502 /nfs/dbraw/zinc/59/35/02/606593502.db2.gz UCVPJFYKWORTAK-UHFFFAOYSA-N -1 1 309.377 2.802 20 0 DFADMM CCC1(CNc2c3ccccc3nnc2-c2nn[n-]n2)CCC1 ZINC000820962518 606593503 /nfs/dbraw/zinc/59/35/03/606593503.db2.gz UCVPJFYKWORTAK-UHFFFAOYSA-N -1 1 309.377 2.802 20 0 DFADMM CCCC[C@H](CC)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821040872 606650161 /nfs/dbraw/zinc/65/01/61/606650161.db2.gz UBNAWYVASYIVCM-LBPRGKRZSA-N -1 1 303.366 2.521 20 0 DFADMM CCCC[C@H](CC)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821040872 606650162 /nfs/dbraw/zinc/65/01/62/606650162.db2.gz UBNAWYVASYIVCM-LBPRGKRZSA-N -1 1 303.366 2.521 20 0 DFADMM FC1(F)CCC[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000822737257 607131073 /nfs/dbraw/zinc/13/10/73/607131073.db2.gz RXHZUVGNLDUWSK-SSDOTTSWSA-N -1 1 314.727 2.905 20 0 DFADMM FC1(F)CCC[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000822737257 607131074 /nfs/dbraw/zinc/13/10/74/607131074.db2.gz RXHZUVGNLDUWSK-SSDOTTSWSA-N -1 1 314.727 2.905 20 0 DFADMM Cc1ccccc1OCCOc1cccc(F)c1-c1nnn[n-]1 ZINC000826307587 607863726 /nfs/dbraw/zinc/86/37/26/607863726.db2.gz OKMMQMLUYRBBQD-UHFFFAOYSA-N -1 1 314.320 2.772 20 0 DFADMM Cc1ccccc1OCCOc1cccc(F)c1-c1nn[n-]n1 ZINC000826307587 607863727 /nfs/dbraw/zinc/86/37/27/607863727.db2.gz OKMMQMLUYRBBQD-UHFFFAOYSA-N -1 1 314.320 2.772 20 0 DFADMM Fc1cccc(OCc2nc3ccccc3o2)c1-c1nnn[n-]1 ZINC000826377675 607863934 /nfs/dbraw/zinc/86/39/34/607863934.db2.gz AROKEJUAOWUIMQ-UHFFFAOYSA-N -1 1 311.276 2.726 20 0 DFADMM Fc1cccc(OCc2nc3ccccc3o2)c1-c1nn[n-]n1 ZINC000826377675 607863935 /nfs/dbraw/zinc/86/39/35/607863935.db2.gz AROKEJUAOWUIMQ-UHFFFAOYSA-N -1 1 311.276 2.726 20 0 DFADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1cc(F)ccc1F ZINC000824663241 607896365 /nfs/dbraw/zinc/89/63/65/607896365.db2.gz XBCFMPRTOCQRCX-QMMMGPOBSA-N -1 1 302.288 2.713 20 0 DFADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1cc(F)ccc1F ZINC000824663241 607896366 /nfs/dbraw/zinc/89/63/66/607896366.db2.gz XBCFMPRTOCQRCX-QMMMGPOBSA-N -1 1 302.288 2.713 20 0 DFADMM Cc1cccc(C)c1OC[C@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000826296730 607897252 /nfs/dbraw/zinc/89/72/52/607897252.db2.gz HKXYBUNFQSSRPL-ZDUSSCGKSA-N -1 1 324.388 2.758 20 0 DFADMM Cc1cccc(C)c1OC[C@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000826296730 607897253 /nfs/dbraw/zinc/89/72/53/607897253.db2.gz HKXYBUNFQSSRPL-ZDUSSCGKSA-N -1 1 324.388 2.758 20 0 DFADMM FC(F)CN(Cc1ccccc1)c1cccc(-c2nnn[n-]2)n1 ZINC000826369420 607901742 /nfs/dbraw/zinc/90/17/42/607901742.db2.gz BKOYBMKKJDFSRW-UHFFFAOYSA-N -1 1 316.315 2.533 20 0 DFADMM FC(F)CN(Cc1ccccc1)c1cccc(-c2nn[n-]n2)n1 ZINC000826369420 607901743 /nfs/dbraw/zinc/90/17/43/607901743.db2.gz BKOYBMKKJDFSRW-UHFFFAOYSA-N -1 1 316.315 2.533 20 0 DFADMM CC(C)CSCCNc1snc(Cl)c1-c1nnn[n-]1 ZINC000824274324 607904945 /nfs/dbraw/zinc/90/49/45/607904945.db2.gz GLCKUEMTHJEEDR-UHFFFAOYSA-N -1 1 318.859 2.778 20 0 DFADMM CC(C)CSCCNc1snc(Cl)c1-c1nn[n-]n1 ZINC000824274324 607904946 /nfs/dbraw/zinc/90/49/46/607904946.db2.gz GLCKUEMTHJEEDR-UHFFFAOYSA-N -1 1 318.859 2.778 20 0 DFADMM CN(Cc1csc2ccccc12)c1ccc(-c2nnn[n-]2)nn1 ZINC000825992500 607989241 /nfs/dbraw/zinc/98/92/41/607989241.db2.gz YYCXPABKKOGDMN-UHFFFAOYSA-N -1 1 323.385 2.508 20 0 DFADMM CN(Cc1csc2ccccc12)c1ccc(-c2nn[n-]n2)nn1 ZINC000825992500 607989242 /nfs/dbraw/zinc/98/92/42/607989242.db2.gz YYCXPABKKOGDMN-UHFFFAOYSA-N -1 1 323.385 2.508 20 0 DFADMM CC(C)(C)C1=CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000824070944 608003556 /nfs/dbraw/zinc/00/35/56/608003556.db2.gz DZUWWQORICVVLQ-UHFFFAOYSA-N -1 1 317.418 2.747 20 0 DFADMM CC(C)(C)C1=CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000824070944 608003557 /nfs/dbraw/zinc/00/35/57/608003557.db2.gz DZUWWQORICVVLQ-UHFFFAOYSA-N -1 1 317.418 2.747 20 0 DFADMM Clc1ccc(N2CCc3ccsc3C2)nc1-c1nnn[n-]1 ZINC000826351890 608019165 /nfs/dbraw/zinc/01/91/65/608019165.db2.gz FUDQOKDAMLZVBG-UHFFFAOYSA-N -1 1 318.793 2.539 20 0 DFADMM Clc1ccc(N2CCc3ccsc3C2)nc1-c1nn[n-]n1 ZINC000826351890 608019166 /nfs/dbraw/zinc/01/91/66/608019166.db2.gz FUDQOKDAMLZVBG-UHFFFAOYSA-N -1 1 318.793 2.539 20 0 DFADMM CCC(CC)[C@@H](C)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825097611 608075547 /nfs/dbraw/zinc/07/55/47/608075547.db2.gz XMMLFAUSMBEXHW-SECBINFHSA-N -1 1 303.366 2.583 20 0 DFADMM CC(=O)c1ccc(Oc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000824029869 608168615 /nfs/dbraw/zinc/16/86/15/608168615.db2.gz SCTYPDOAWHACHH-UHFFFAOYSA-N -1 1 321.749 2.972 20 0 DFADMM Clc1nsc(NC[C@@H]2Cc3ccccc32)c1-c1nnn[n-]1 ZINC000826354276 608177563 /nfs/dbraw/zinc/17/75/63/608177563.db2.gz WKJYSRVSRILCCO-QMMMGPOBSA-N -1 1 318.793 2.728 20 0 DFADMM Clc1nsc(NC[C@@H]2Cc3ccccc32)c1-c1nn[n-]n1 ZINC000826354276 608177564 /nfs/dbraw/zinc/17/75/64/608177564.db2.gz WKJYSRVSRILCCO-QMMMGPOBSA-N -1 1 318.793 2.728 20 0 DFADMM C[C@H](c1cccnc1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC000824772988 608178542 /nfs/dbraw/zinc/17/85/42/608178542.db2.gz XKLSLKYUOUIKIW-SSDOTTSWSA-N -1 1 321.797 2.569 20 0 DFADMM C[C@H](c1cccnc1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC000824772988 608178544 /nfs/dbraw/zinc/17/85/44/608178544.db2.gz XKLSLKYUOUIKIW-SSDOTTSWSA-N -1 1 321.797 2.569 20 0 DFADMM CN(c1snc(Cl)c1-c1nnn[n-]1)C(C1CC1)C1CC1 ZINC000826011090 608180444 /nfs/dbraw/zinc/18/04/44/608180444.db2.gz WPKJLAQWDSOKJU-UHFFFAOYSA-N -1 1 310.814 2.601 20 0 DFADMM CN(c1snc(Cl)c1-c1nn[n-]n1)C(C1CC1)C1CC1 ZINC000826011090 608180446 /nfs/dbraw/zinc/18/04/46/608180446.db2.gz WPKJLAQWDSOKJU-UHFFFAOYSA-N -1 1 310.814 2.601 20 0 DFADMM Clc1nsc(Oc2ccc(Cl)nc2)c1-c1nn[n-]n1 ZINC000826352601 608190901 /nfs/dbraw/zinc/19/09/01/608190901.db2.gz HKRUMPPFXUXUKH-UHFFFAOYSA-N -1 1 315.145 2.817 20 0 DFADMM CCC1(CC)[C@H](Nc2cccc(-c3nnn[n-]3)n2)[C@H](C)[C@H]1OC ZINC000825171540 608197284 /nfs/dbraw/zinc/19/72/84/608197284.db2.gz RJIYMVMQLXKMMA-ZLKJLUDKSA-N -1 1 316.409 2.513 20 0 DFADMM CCC1(CC)[C@H](Nc2cccc(-c3nn[n-]n3)n2)[C@H](C)[C@H]1OC ZINC000825171540 608197285 /nfs/dbraw/zinc/19/72/85/608197285.db2.gz RJIYMVMQLXKMMA-ZLKJLUDKSA-N -1 1 316.409 2.513 20 0 DFADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc2ccccc2c1 ZINC000824656228 608389137 /nfs/dbraw/zinc/38/91/37/608389137.db2.gz JHGYSEBHVCKLFN-LLVKDONJSA-N -1 1 317.356 2.983 20 0 DFADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc2ccccc2c1 ZINC000824656228 608389138 /nfs/dbraw/zinc/38/91/38/608389138.db2.gz JHGYSEBHVCKLFN-LLVKDONJSA-N -1 1 317.356 2.983 20 0 DFADMM c1ccc2cc(Sc3ccc(-c4nnn[n-]4)nn3)ccc2c1 ZINC000826524112 608390390 /nfs/dbraw/zinc/39/03/90/608390390.db2.gz JSMSQEWKBOHBBX-UHFFFAOYSA-N -1 1 306.354 2.961 20 0 DFADMM c1ccc2cc(Sc3ccc(-c4nn[n-]n4)nn3)ccc2c1 ZINC000826524112 608390392 /nfs/dbraw/zinc/39/03/92/608390392.db2.gz JSMSQEWKBOHBBX-UHFFFAOYSA-N -1 1 306.354 2.961 20 0 DFADMM Clc1cc(Cl)cc(Oc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826350808 608390946 /nfs/dbraw/zinc/39/09/46/608390946.db2.gz MBQZBUBSGSMWJL-UHFFFAOYSA-N -1 1 309.116 2.756 20 0 DFADMM Clc1cc(Cl)cc(Oc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826350808 608390948 /nfs/dbraw/zinc/39/09/48/608390948.db2.gz MBQZBUBSGSMWJL-UHFFFAOYSA-N -1 1 309.116 2.756 20 0 DFADMM c1sc2ccccc2c1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826523057 608401421 /nfs/dbraw/zinc/40/14/21/608401421.db2.gz ZARVZIQNQQGVAO-UHFFFAOYSA-N -1 1 323.385 2.526 20 0 DFADMM c1sc2ccccc2c1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826523057 608401423 /nfs/dbraw/zinc/40/14/23/608401423.db2.gz ZARVZIQNQQGVAO-UHFFFAOYSA-N -1 1 323.385 2.526 20 0 DFADMM c1ccc([C@@H]2CCCC[C@H]2Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826521108 608406183 /nfs/dbraw/zinc/40/61/83/608406183.db2.gz ZSUSXMDBDLVYCZ-UONOGXRCSA-N -1 1 321.388 2.795 20 0 DFADMM c1ccc([C@@H]2CCCC[C@H]2Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826521108 608406186 /nfs/dbraw/zinc/40/61/86/608406186.db2.gz ZSUSXMDBDLVYCZ-UONOGXRCSA-N -1 1 321.388 2.795 20 0 DFADMM C[C@H](Sc1ccc(-c2nnn[n-]2)nn1)c1ccc(F)cc1 ZINC000824756836 608406750 /nfs/dbraw/zinc/40/67/50/608406750.db2.gz QBOQBNMGUZPRPV-QMMMGPOBSA-N -1 1 302.338 2.649 20 0 DFADMM C[C@H](Sc1ccc(-c2nn[n-]n2)nn1)c1ccc(F)cc1 ZINC000824756836 608406752 /nfs/dbraw/zinc/40/67/52/608406752.db2.gz QBOQBNMGUZPRPV-QMMMGPOBSA-N -1 1 302.338 2.649 20 0 DFADMM CC(C)CC[C@H]1CCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824245332 608411161 /nfs/dbraw/zinc/41/11/61/608411161.db2.gz XTIVBCLMQRLNTQ-VXGBXAGGSA-N -1 1 301.398 2.674 20 0 DFADMM CC(C)CC[C@H]1CCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824245332 608411162 /nfs/dbraw/zinc/41/11/62/608411162.db2.gz XTIVBCLMQRLNTQ-VXGBXAGGSA-N -1 1 301.398 2.674 20 0 DFADMM CC(C)c1ccc(C[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000824457587 608440147 /nfs/dbraw/zinc/44/01/47/608440147.db2.gz QKFOVFVSCFXUPC-LBPRGKRZSA-N -1 1 323.404 2.823 20 0 DFADMM CC(C)c1ccc(C[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000824457587 608440149 /nfs/dbraw/zinc/44/01/49/608440149.db2.gz QKFOVFVSCFXUPC-LBPRGKRZSA-N -1 1 323.404 2.823 20 0 DFADMM c1ccc(-c2ccc(Oc3nccnc3-c3nn[n-]n3)cn2)cc1 ZINC000826519065 608797487 /nfs/dbraw/zinc/79/74/87/608797487.db2.gz ILRMEHHYKCETRN-UHFFFAOYSA-N -1 1 317.312 2.511 20 0 DFADMM C[C@@H]1CC[C@@]2(CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C2)C1 ZINC000824916702 609390224 /nfs/dbraw/zinc/39/02/24/609390224.db2.gz LLECSIYCEOTRAI-MEBBXXQBSA-N -1 1 318.812 2.932 20 0 DFADMM C[C@@H]1CC[C@@]2(CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)C2)C1 ZINC000824916702 609390225 /nfs/dbraw/zinc/39/02/25/609390225.db2.gz LLECSIYCEOTRAI-MEBBXXQBSA-N -1 1 318.812 2.932 20 0 DFADMM Cc1nc2c(s1)[C@H](Nc1cccc(-c3nnn[n-]3)n1)CCC2 ZINC000826328098 609565623 /nfs/dbraw/zinc/56/56/23/609565623.db2.gz GESQOMIFSXAQIM-SNVBAGLBSA-N -1 1 313.390 2.516 20 0 DFADMM Cc1nc2c(s1)[C@H](Nc1cccc(-c3nn[n-]n3)n1)CCC2 ZINC000826328098 609565626 /nfs/dbraw/zinc/56/56/26/609565626.db2.gz GESQOMIFSXAQIM-SNVBAGLBSA-N -1 1 313.390 2.516 20 0 DFADMM Cc1c(CCc2nc(-c3ccc([O-])cc3Cl)no2)cnn1C ZINC000278261698 214053909 /nfs/dbraw/zinc/05/39/09/214053909.db2.gz UUNIUUAUJJWXJP-UHFFFAOYSA-N -1 1 318.764 2.923 20 0 DFADMM CC(C)(C)CC(=O)NCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000278265457 214056982 /nfs/dbraw/zinc/05/69/82/214056982.db2.gz VCOULVIMDAUNDE-UHFFFAOYSA-N -1 1 307.325 2.634 20 0 DFADMM COCC(C)(C)CCC[N-]S(=O)(=O)c1cccc(F)c1F ZINC000286571625 219059382 /nfs/dbraw/zinc/05/93/82/219059382.db2.gz FAHBEWFFYPRISQ-UHFFFAOYSA-N -1 1 321.389 2.696 20 0 DFADMM Cc1ccccc1NC(=O)CN1CCCC[C@H]1CCC(=O)[O-] ZINC000314930075 231134832 /nfs/dbraw/zinc/13/48/32/231134832.db2.gz RIIPADQVZKPJIZ-AWEZNQCLSA-N -1 1 304.390 2.653 20 0 DFADMM CCc1cc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)sc1C ZINC000331821024 529512858 /nfs/dbraw/zinc/51/28/58/529512858.db2.gz MSMASQMLBLIWNV-NSHDSACASA-N -1 1 321.402 2.727 20 0 DFADMM O=C(Nc1ccc(N2CCCC2=O)cc1)c1cc(F)ccc1[O-] ZINC000081933124 398375552 /nfs/dbraw/zinc/37/55/52/398375552.db2.gz KLCXMIABHSCZRM-UHFFFAOYSA-N -1 1 314.316 2.910 20 0 DFADMM [O-]c1ccc(-c2noc([C@H]3CCc4c[nH]nc4C3)n2)c(F)c1 ZINC000278201810 214020624 /nfs/dbraw/zinc/02/06/24/214020624.db2.gz POVIIZZEFMRVIX-QMMMGPOBSA-N -1 1 300.293 2.577 20 0 DFADMM CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)c1cc(F)ccc1[O-] ZINC000092431760 185317862 /nfs/dbraw/zinc/31/78/62/185317862.db2.gz BKMIBFXNRBYMKN-GFCCVEGCSA-N -1 1 318.352 2.511 20 0 DFADMM [O-]c1ccc(-c2noc([C@@H]3CCc4n[nH]cc4C3)n2)c(F)c1 ZINC000278195858 214016001 /nfs/dbraw/zinc/01/60/01/214016001.db2.gz PGJGFQLOZZWNJW-MRVPVSSYSA-N -1 1 300.293 2.577 20 0 DFADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(N(C)C)nc2)c1 ZINC000083577221 398388790 /nfs/dbraw/zinc/38/87/90/398388790.db2.gz PHVUVLSSDYIZRE-UHFFFAOYSA-N -1 1 305.403 2.511 20 0 DFADMM CCCNC(=O)Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1 ZINC000016639900 398402446 /nfs/dbraw/zinc/40/24/46/398402446.db2.gz OSGPTPMYYLHIPQ-UHFFFAOYSA-N -1 1 310.810 2.787 20 0 DFADMM O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)NC1CC1 ZINC000017122821 398403303 /nfs/dbraw/zinc/40/33/03/398403303.db2.gz GEKRMSLBYWQJBK-UHFFFAOYSA-N -1 1 308.794 2.540 20 0 DFADMM O=c1[n-]c(Oc2cccnc2F)nc2c1cnn2-c1ccccc1 ZINC000084927793 398411063 /nfs/dbraw/zinc/41/10/63/398411063.db2.gz GZDDFXUFYBGLBK-UHFFFAOYSA-N -1 1 323.287 2.848 20 0 DFADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cccc(-n2cccc2)c1 ZINC000026253903 398451718 /nfs/dbraw/zinc/45/17/18/398451718.db2.gz ANEIYMNHWPJNOS-UHFFFAOYSA-N -1 1 321.262 2.867 20 0 DFADMM C[C@@H](Cc1ccsc1)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000048840888 282386399 /nfs/dbraw/zinc/38/63/99/282386399.db2.gz PWTKEVUKTWTQNY-VIFPVBQESA-N -1 1 317.382 2.936 20 0 DFADMM C[C@H](Cc1ccsc1)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000048840890 282386573 /nfs/dbraw/zinc/38/65/73/282386573.db2.gz PWTKEVUKTWTQNY-SECBINFHSA-N -1 1 317.382 2.936 20 0 DFADMM O=C(NCc1nc2ccccc2[nH]1)c1cc(Cl)ccc1[O-] ZINC000048931047 282386817 /nfs/dbraw/zinc/38/68/17/282386817.db2.gz XQSWQHZQALFKFA-UHFFFAOYSA-N -1 1 301.733 2.852 20 0 DFADMM O=C(NCc1cscn1)c1ccc(Br)cc1[O-] ZINC000051441603 282396903 /nfs/dbraw/zinc/39/69/03/282396903.db2.gz KPPAAQIRHTWMHZ-UHFFFAOYSA-N -1 1 313.176 2.541 20 0 DFADMM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCc2ccc(C)cc21 ZINC000592821537 398490598 /nfs/dbraw/zinc/49/05/98/398490598.db2.gz NYFWHYZWLFSLQN-AWEZNQCLSA-N -1 1 306.387 2.566 20 0 DFADMM Cc1ccccc1C(=O)NCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111668528 185623935 /nfs/dbraw/zinc/62/39/35/185623935.db2.gz ZQBQBLPMKHPRRJ-UHFFFAOYSA-N -1 1 318.760 2.723 20 0 DFADMM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(OC)cc1F ZINC000588680501 398504084 /nfs/dbraw/zinc/50/40/84/398504084.db2.gz VHEMEHWQQDPPKA-DTWKUNHWSA-N -1 1 307.362 2.686 20 0 DFADMM CCCCc1ccc(CC(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1 ZINC000279618969 215009963 /nfs/dbraw/zinc/00/99/63/215009963.db2.gz HOXOUATVWXTWSM-XLNRJJMWSA-N -1 1 322.412 2.866 20 0 DFADMM O=C([O-])C[C@@H]1CSCCN1CCSc1ccccc1F ZINC000091132149 398511354 /nfs/dbraw/zinc/51/13/54/398511354.db2.gz LGMFHGFKTFTABB-LLVKDONJSA-N -1 1 315.435 2.810 20 0 DFADMM C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000313736095 398516742 /nfs/dbraw/zinc/51/67/42/398516742.db2.gz AZZZQVZIVXQMDM-SKDRFNHKSA-N -1 1 312.753 2.791 20 0 DFADMM O=C(c1ccc([O-])c(F)c1)N1CCC(C2CCOCC2)CC1 ZINC000681059148 545591253 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ZINC000080461977 192159248 /nfs/dbraw/zinc/15/92/48/192159248.db2.gz HZZUDECJXGTYNF-UHFFFAOYSA-N -1 1 323.805 2.796 20 0 DFADMM COC(=O)c1cc(C[N@H+]2CCCC[C@H]2CC(=O)[O-])c(C)s1 ZINC000593291865 398590619 /nfs/dbraw/zinc/59/06/19/398590619.db2.gz VGIJVUMXICVBCD-LBPRGKRZSA-N -1 1 311.403 2.672 20 0 DFADMM CCOC(=O)C(C)(C)n1cc([N-]c2nc(C3CC3)ns2)cn1 ZINC000092685204 398594598 /nfs/dbraw/zinc/59/45/98/398594598.db2.gz FFRHVKXSDSOYCI-UHFFFAOYSA-N -1 1 321.406 2.654 20 0 DFADMM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2ccncc2[O-])cc1 ZINC000092738542 398597877 /nfs/dbraw/zinc/59/78/77/398597877.db2.gz CTFLPNQJOYZGNG-UHFFFAOYSA-N -1 1 314.341 2.995 20 0 DFADMM Cc1cc(C[C@H](C)NC(=O)c2ccc3[n-]c(=S)oc3c2)n[nH]1 ZINC000155808134 186114796 /nfs/dbraw/zinc/11/47/96/186114796.db2.gz QYPWZJHYECRNFI-QMMMGPOBSA-N -1 1 316.386 2.509 20 0 DFADMM CCC1(CNC(=O)/N=c2/ccnc3n(C)[n-]cc2-3)CCCCC1 ZINC000287170199 219358903 /nfs/dbraw/zinc/35/89/03/219358903.db2.gz MZISBXZVDXXQJW-STZFKDTASA-N -1 1 315.421 2.824 20 0 DFADMM 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DFADMM Cc1ccccc1[C@H](C)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000074272250 426045485 /nfs/dbraw/zinc/04/54/85/426045485.db2.gz LGBXBNYHAXUKBB-LBPRGKRZSA-N -1 1 307.353 2.723 20 0 DFADMM COc1ccc(CN(C)C(=O)c2nc3ccccc3c(=O)[n-]2)cc1 ZINC000074272319 426045508 /nfs/dbraw/zinc/04/55/08/426045508.db2.gz JGXOSYTYLOTDEY-UHFFFAOYSA-N -1 1 323.352 2.616 20 0 DFADMM O=C(Nc1ccnc(Sc2ccccn2)c1)c1cncc([O-])c1 ZINC000111594742 426053540 /nfs/dbraw/zinc/05/35/40/426053540.db2.gz RLJMRROAVBVXGG-UHFFFAOYSA-N -1 1 324.365 2.981 20 0 DFADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1nc(C(C)(C)C)no1 ZINC000127214380 426056055 /nfs/dbraw/zinc/05/60/55/426056055.db2.gz HHFUOSCECRBZFZ-MRVPVSSYSA-N -1 1 307.325 2.703 20 0 DFADMM CC(C)c1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)[nH]n1 ZINC000126169777 426008675 /nfs/dbraw/zinc/00/86/75/426008675.db2.gz DGGOUUAXYTXMAX-UHFFFAOYSA-N -1 1 301.318 2.612 20 0 DFADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H]2C[C@H]2C)cc1 ZINC000076001442 426092386 /nfs/dbraw/zinc/09/23/86/426092386.db2.gz SQXNCVHKKUSTOR-YPMHNXCESA-N -1 1 316.430 2.831 20 0 DFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@H](C)C[C@H](C)C1 ZINC000163487593 426102405 /nfs/dbraw/zinc/10/24/05/426102405.db2.gz OKTOLDMLHMBGIL-RYUDHWBXSA-N -1 1 319.449 2.884 20 0 DFADMM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cncc([O-])c1 ZINC000128203039 426107071 /nfs/dbraw/zinc/10/70/71/426107071.db2.gz RMCFENBJELHWBQ-MEBBXXQBSA-N -1 1 320.776 2.947 20 0 DFADMM Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCC[C@H](C(=O)[O-])C1 ZINC000164608133 426115297 /nfs/dbraw/zinc/11/52/97/426115297.db2.gz YQFICFXZXRBDMT-RYUDHWBXSA-N -1 1 324.808 2.772 20 0 DFADMM O=S(=O)(CCC1CC1)[N-]c1cc(C(F)(F)F)ccc1O ZINC000130019037 426144837 /nfs/dbraw/zinc/14/48/37/426144837.db2.gz AIUNNLINMHQILH-UHFFFAOYSA-N -1 1 309.309 2.953 20 0 DFADMM COc1ccc(C(=O)Nc2nc3c(s2)C(=O)CCC3)c([O-])c1 ZINC000170801882 426151238 /nfs/dbraw/zinc/15/12/38/426151238.db2.gz YIGUJHKJGDUUNR-UHFFFAOYSA-N -1 1 318.354 2.629 20 0 DFADMM O=C(c1ncccc1[O-])N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000170899684 426158281 /nfs/dbraw/zinc/15/82/81/426158281.db2.gz IZXJEENJSJQWJH-CQSZACIVSA-N -1 1 318.760 2.654 20 0 DFADMM O=C(c1cc(Cl)ccc1[O-])N1CCC(Cn2cccn2)CC1 ZINC000131971470 426167757 /nfs/dbraw/zinc/16/77/57/426167757.db2.gz UZMHJQKSMXNZNE-UHFFFAOYSA-N -1 1 319.792 2.795 20 0 DFADMM C[C@@H]1CCC[C@@H](CCNC(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000115640312 426170066 /nfs/dbraw/zinc/17/00/66/426170066.db2.gz DFEZKPFBLFCXFR-OLZOCXBDSA-N -1 1 313.401 2.869 20 0 DFADMM O=S(=O)([N-]C[C@H]1CCCS1)c1c(F)cccc1Cl ZINC000133040763 426172831 /nfs/dbraw/zinc/17/28/31/426172831.db2.gz ARQRGWOGTLMYTR-MRVPVSSYSA-N -1 1 309.815 2.653 20 0 DFADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1C ZINC000078580772 426175787 /nfs/dbraw/zinc/17/57/87/426175787.db2.gz QDHJMWYMLGGOFT-UHFFFAOYSA-N -1 1 323.345 2.722 20 0 DFADMM O=C(c1ncccc1[O-])N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000171264489 426180278 /nfs/dbraw/zinc/18/02/78/426180278.db2.gz ZNWNPDWOJJNJAQ-AWEZNQCLSA-N -1 1 318.760 2.654 20 0 DFADMM O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1ncccc1[O-] ZINC000171273797 426180474 /nfs/dbraw/zinc/18/04/74/426180474.db2.gz NGVQQFQBGNLQGF-WMLDXEAASA-N -1 1 312.369 2.685 20 0 DFADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2C)c1 ZINC000171335601 426185562 /nfs/dbraw/zinc/18/55/62/426185562.db2.gz MVSNUWULRYBGTK-UHFFFAOYSA-N -1 1 321.398 2.956 20 0 DFADMM Cc1nc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)sc1C ZINC000078776813 426186014 /nfs/dbraw/zinc/18/60/14/426186014.db2.gz VCCMTOSTWVUIRU-UHFFFAOYSA-N -1 1 320.418 2.701 20 0 DFADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccsc1 ZINC000118677680 426241301 /nfs/dbraw/zinc/24/13/01/426241301.db2.gz ZUPWRPRNHYJYGP-UHFFFAOYSA-N -1 1 310.400 2.762 20 0 DFADMM CCC[C@H](NC(=O)C=Cc1ccccc1Cl)c1nn[n-]n1 ZINC000136679341 426244731 /nfs/dbraw/zinc/24/47/31/426244731.db2.gz BRCOMTBAVOSKLM-BCPZQOPPSA-N -1 1 305.769 2.524 20 0 DFADMM O=S(=O)(Nc1cccc(Cl)c1[O-])N1CCCCCC1 ZINC000086472749 426258815 /nfs/dbraw/zinc/25/88/15/426258815.db2.gz VUEULJYUYCEMJJ-UHFFFAOYSA-N -1 1 304.799 2.578 20 0 DFADMM COCc1ccc([C@@H]2CCCN2C(=O)c2cncc([O-])c2)o1 ZINC000119112192 426262921 /nfs/dbraw/zinc/26/29/21/426262921.db2.gz SHJZHYAWAPGQFG-AWEZNQCLSA-N -1 1 302.330 2.504 20 0 DFADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)C=C2CCC2)CC1 ZINC000087338183 426270815 /nfs/dbraw/zinc/27/08/15/426270815.db2.gz HNBIUTGBXZZZAZ-UHFFFAOYSA-N -1 1 306.435 2.777 20 0 DFADMM COc1c(C)cnc(CN(C)C(=O)c2cc(F)ccc2[O-])c1C ZINC000080022359 426209644 /nfs/dbraw/zinc/20/96/44/426209644.db2.gz QZCYGMQHRXQUPE-UHFFFAOYSA-N -1 1 318.348 2.824 20 0 DFADMM CC[C@@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)[C@@H]1CCCO1 ZINC000135220285 426210015 /nfs/dbraw/zinc/21/00/15/426210015.db2.gz JARWYMGENDXJIK-NEPJUHHUSA-N -1 1 313.781 2.742 20 0 DFADMM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000117375107 426212663 /nfs/dbraw/zinc/21/26/63/426212663.db2.gz NFCXGLYAHNCDPR-WDEREUQCSA-N -1 1 321.414 2.917 20 0 DFADMM Cc1cnn([C@@H]2CCCN(C(=O)c3cc(F)ccc3[O-])C2)c1 ZINC000175223207 426289307 /nfs/dbraw/zinc/28/93/07/426289307.db2.gz 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/nfs/dbraw/zinc/34/84/13/426348413.db2.gz CMSXOZSFSFLEQC-UHFFFAOYSA-N -1 1 313.151 2.573 20 0 DFADMM C=CC(=O)Nc1cc(NC(=O)c2ccccc2[O-])ccc1F ZINC000092424705 426349772 /nfs/dbraw/zinc/34/97/72/426349772.db2.gz LMDAFDWTYUWBRC-UHFFFAOYSA-N -1 1 300.289 2.908 20 0 DFADMM COc1cc(F)c(NC(=O)c2cc(F)ccc2[O-])cc1OC ZINC000094124780 426361468 /nfs/dbraw/zinc/36/14/68/426361468.db2.gz GDQITISEZPUJPV-UHFFFAOYSA-N -1 1 309.268 2.940 20 0 DFADMM CC(C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000094158450 426361571 /nfs/dbraw/zinc/36/15/71/426361571.db2.gz LIMWRAXGAVEKDA-LBPRGKRZSA-N -1 1 311.765 2.602 20 0 DFADMM COc1ccc([C@H](NC(=O)c2cncc([O-])c2)C(C)C)cc1 ZINC000176290015 426366338 /nfs/dbraw/zinc/36/63/38/426366338.db2.gz XESZLLDKXMLPKP-MRXNPFEDSA-N -1 1 300.358 2.923 20 0 DFADMM CCO[C@@H]1C[C@@H](N(C)C(=O)c2cncc([O-])c2)C1(CC)CC ZINC000176325108 426370223 /nfs/dbraw/zinc/37/02/23/426370223.db2.gz CRRCWEFMWAMUDJ-HUUCEWRRSA-N -1 1 306.406 2.843 20 0 DFADMM COc1cc(C(=O)N(C)Cc2cc(C)on2)cc(Cl)c1[O-] ZINC000153559618 426391875 /nfs/dbraw/zinc/39/18/75/426391875.db2.gz APOHVHWSCSLTKC-UHFFFAOYSA-N -1 1 310.737 2.623 20 0 DFADMM COC[C@H]1CCCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000153819522 426407674 /nfs/dbraw/zinc/40/76/74/426407674.db2.gz YFBCRJKCTFPGQX-JTQLQIEISA-N -1 1 313.781 2.553 20 0 DFADMM CCC[C@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1nn[n-]n1 ZINC000176749302 426410513 /nfs/dbraw/zinc/41/05/13/426410513.db2.gz XLRILEOHATXGTK-JTQLQIEISA-N -1 1 318.768 2.606 20 0 DFADMM CCC[C@H](NC(=O)c1csc2c1CC[C@H](C)C2)c1nn[n-]n1 ZINC000176753929 426411718 /nfs/dbraw/zinc/41/17/18/426411718.db2.gz ACEAHDFZRCQYKZ-CABZTGNLSA-N -1 1 319.434 2.657 20 0 DFADMM CCC[C@H](NC(=O)C[C@H](C)c1ccccc1C)c1nn[n-]n1 ZINC000176768292 426412313 /nfs/dbraw/zinc/41/23/13/426412313.db2.gz CWCHWQBGGUABHW-JSGCOSHPSA-N -1 1 301.394 2.659 20 0 DFADMM C[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1nc2ccccc2n1C ZINC000176785167 426415204 /nfs/dbraw/zinc/41/52/04/426415204.db2.gz OZTKXKSHHGYZGM-SSDOTTSWSA-N -1 1 303.259 2.651 20 0 DFADMM CCc1nc2c(s1)[C@@H](N(C)C(=O)c1ncccc1[O-])CCC2 ZINC000154002441 426418770 /nfs/dbraw/zinc/41/87/70/426418770.db2.gz CXWLJLIEMWOXQE-NSHDSACASA-N -1 1 317.414 2.956 20 0 DFADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C)c(O)c2)c1 ZINC000123333302 426427253 /nfs/dbraw/zinc/42/72/53/426427253.db2.gz LFUPQMRCJRZWIR-UHFFFAOYSA-N -1 1 300.314 2.617 20 0 DFADMM O=C(c1cc(F)ccc1[O-])N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000177145378 426447864 /nfs/dbraw/zinc/44/78/64/426447864.db2.gz JUIGHTZRYJTJJP-MRXNPFEDSA-N -1 1 319.307 2.884 20 0 DFADMM Cc1ccc2oc(Oc3ccc([N-]S(C)(=O)=O)nc3)nc2c1 ZINC000340856404 269022785 /nfs/dbraw/zinc/02/27/85/269022785.db2.gz MSUKZWLVTQQOQI-UHFFFAOYSA-N -1 1 319.342 2.695 20 0 DFADMM CCCCOCC[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000340880050 269026457 /nfs/dbraw/zinc/02/64/57/269026457.db2.gz XYKCKNIWARWPSL-UHFFFAOYSA-N -1 1 309.790 2.574 20 0 DFADMM CN(C(=O)c1ccc(Cl)cc1[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000124298667 426479157 /nfs/dbraw/zinc/47/91/57/426479157.db2.gz TWHMTTDBILDJKF-YUTCNCBUSA-N -1 1 309.793 2.931 20 0 DFADMM CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(O)cc(F)c2)C1 ZINC000186202257 426493201 /nfs/dbraw/zinc/49/32/01/426493201.db2.gz NJWJTKKMGIBOEW-ZDUSSCGKSA-N -1 1 308.397 2.516 20 0 DFADMM Cc1ccccc1OCCCN(C)C(=O)c1ncccc1[O-] ZINC000195135405 426502986 /nfs/dbraw/zinc/50/29/86/426502986.db2.gz UHFDRRADFKFFQO-UHFFFAOYSA-N -1 1 300.358 2.637 20 0 DFADMM C[C@@H](CCOCc1ccccc1)NC(=O)c1cncc([O-])c1 ZINC000288075076 426503727 /nfs/dbraw/zinc/50/37/27/426503727.db2.gz FGCSHKULIWFIPN-ZDUSSCGKSA-N -1 1 300.358 2.512 20 0 DFADMM Oc1ccc(-c2noc(CCCCc3cn[nH]n3)n2)c(Cl)c1 ZINC000289032523 426570802 /nfs/dbraw/zinc/57/08/02/426570802.db2.gz JKWDBQNMATWJRD-UHFFFAOYSA-N -1 1 319.752 2.779 20 0 DFADMM O=C(Nc1ccn(-c2ccccc2Cl)n1)c1cncc([O-])c1 ZINC000178150808 426577979 /nfs/dbraw/zinc/57/79/79/426577979.db2.gz BYVFYIDXAPFDOV-UHFFFAOYSA-N -1 1 314.732 2.879 20 0 DFADMM Cc1cc(CSc2nc([O-])cc(=O)n2C2CCCC2)on1 ZINC000178220978 426587798 /nfs/dbraw/zinc/58/77/98/426587798.db2.gz UKMIKQZKCFBHBH-UHFFFAOYSA-N -1 1 307.375 2.653 20 0 DFADMM CC[C@H](O)[C@@H]1CCCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000265194923 426594890 /nfs/dbraw/zinc/59/48/90/426594890.db2.gz IXYFOAGVJWWYOA-RYUDHWBXSA-N -1 1 307.419 2.522 20 0 DFADMM O=C(NC1CCSCC1)c1cc(Br)ccc1[O-] ZINC000226295223 426618904 /nfs/dbraw/zinc/61/89/04/426618904.db2.gz PTZZRJWJTWROEP-UHFFFAOYSA-N -1 1 316.220 2.780 20 0 DFADMM CC(C)c1cc([N-]S(=O)(=O)c2cccc3cccnc32)[nH]n1 ZINC000178027068 426557887 /nfs/dbraw/zinc/55/78/87/426557887.db2.gz VLYZIWOXBDBZPY-UHFFFAOYSA-N -1 1 316.386 2.882 20 0 DFADMM O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)c1ccc([O-])cc1 ZINC000280795362 426656821 /nfs/dbraw/zinc/65/68/21/426656821.db2.gz OWZJDHPTOVKLAQ-MNOVXSKESA-N -1 1 315.291 2.812 20 0 DFADMM O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cncc([O-])c1 ZINC000273406117 426658290 /nfs/dbraw/zinc/65/82/90/426658290.db2.gz BDKVFGXRJDJCSY-ZBFHGGJFSA-N -1 1 316.332 2.576 20 0 DFADMM CCS[C@@H]1CCCCN(C(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000280808641 426660038 /nfs/dbraw/zinc/66/00/38/426660038.db2.gz QJMKCUAQUKHCJN-CQSZACIVSA-N -1 1 307.415 2.709 20 0 DFADMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)N1CCCCCC1 ZINC000289466156 426663701 /nfs/dbraw/zinc/66/37/01/426663701.db2.gz GVCARAFPBVQGAC-UHFFFAOYSA-N -1 1 317.361 2.615 20 0 DFADMM Cc1nc(C2CC2)oc1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000273452022 426666670 /nfs/dbraw/zinc/66/66/70/426666670.db2.gz GGMIGRGZWVNWRQ-UHFFFAOYSA-N -1 1 318.280 2.983 20 0 DFADMM COC(=O)c1c[n-]c(SCc2nc(-c3ccsc3)no2)n1 ZINC000187582718 426674158 /nfs/dbraw/zinc/67/41/58/426674158.db2.gz DLECBRXUZFXGFB-UHFFFAOYSA-N -1 1 322.371 2.600 20 0 DFADMM CCS[C@H]1CCCC[C@H]1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000280888832 426678626 /nfs/dbraw/zinc/67/86/26/426678626.db2.gz GQQCDUYFSYDFMU-KGLIPLIRSA-N -1 1 307.415 2.755 20 0 DFADMM Cc1ccc2c(C(=O)N(C)C[C@H](C)c3nn[n-]n3)csc2c1 ZINC000280641750 426622880 /nfs/dbraw/zinc/62/28/80/426622880.db2.gz CLELLANBKAYDHU-JTQLQIEISA-N -1 1 315.402 2.599 20 0 DFADMM O=S(=O)([N-]c1nc(C2CCC2)n[nH]1)c1ccccc1Cl ZINC000274152131 426719664 /nfs/dbraw/zinc/71/96/64/426719664.db2.gz CSVXUFXAIFSLQC-UHFFFAOYSA-N -1 1 312.782 2.526 20 0 DFADMM Cc1cc(CCNC(=O)c2c([O-])cccc2F)cc(C)c1O ZINC000188694731 426778359 /nfs/dbraw/zinc/77/83/59/426778359.db2.gz VVUDQCNOWZMEHC-UHFFFAOYSA-N -1 1 303.333 2.826 20 0 DFADMM COC(=O)c1ccc([N-]S(=O)(=O)CCC(C)(C)C)cc1F ZINC000290509062 426779733 /nfs/dbraw/zinc/77/97/33/426779733.db2.gz LKOYEUVNCYGAFZ-UHFFFAOYSA-N -1 1 317.382 2.790 20 0 DFADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000281596219 426727357 /nfs/dbraw/zinc/72/73/57/426727357.db2.gz ODCPQBFUCRGAGC-MRVPVSSYSA-N -1 1 322.714 2.868 20 0 DFADMM C[C@H]1CN(C(=O)c2c[n-]c3c(cnn3C)c2=O)[C@H]1c1ccccc1 ZINC000179525160 426798399 /nfs/dbraw/zinc/79/83/99/426798399.db2.gz QLGUUAUEFCKNSL-XHDPSFHLSA-N -1 1 322.368 2.507 20 0 DFADMM Cc1nc(-c2ccc(NCc3nccs3)nc2)[n-]c(=O)c1C ZINC000180406888 426857330 /nfs/dbraw/zinc/85/73/30/426857330.db2.gz 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/nfs/dbraw/zinc/88/36/05/426883605.db2.gz BFIXGHLFQSZKCG-UHFFFAOYSA-N -1 1 307.365 2.689 20 0 DFADMM Cc1ccc(Cl)cc1NC(=O)CN1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000318897681 426962317 /nfs/dbraw/zinc/96/23/17/426962317.db2.gz PXEZXDKPNXGITI-YPMHNXCESA-N -1 1 324.808 2.630 20 0 DFADMM C[C@H](CCC(=O)/N=c1/ccnc2n(C)[n-]cc1-2)c1ccccc1 ZINC000283150957 426963493 /nfs/dbraw/zinc/96/34/93/426963493.db2.gz JSZIMKYCKJHHBS-QIAIEURZSA-N -1 1 308.385 2.864 20 0 DFADMM Cc1cc(Cl)ccc1NC(=O)CN1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000319549509 426963934 /nfs/dbraw/zinc/96/39/34/426963934.db2.gz OJLKTBJCEZHQLG-AAEUAGOBSA-N -1 1 324.808 2.630 20 0 DFADMM CCC[C@H](NC(=O)c1[nH]c2ccccc2c1Cl)c1nn[n-]n1 ZINC000268263599 426970215 /nfs/dbraw/zinc/97/02/15/426970215.db2.gz ZSFCPYLFEHKJGD-JTQLQIEISA-N -1 1 318.768 2.606 20 0 DFADMM CC(C)c1cccc(NC(=O)CN2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000324298422 426977161 /nfs/dbraw/zinc/97/71/61/426977161.db2.gz PYTCRASTUQNCMX-BBRMVZONSA-N -1 1 318.417 2.791 20 0 DFADMM CC(C)c1ccccc1NC(=O)CN1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000324342816 426977382 /nfs/dbraw/zinc/97/73/82/426977382.db2.gz YEWUPFDRCJOLEI-UKRRQHHQSA-N -1 1 318.417 2.791 20 0 DFADMM CCc1cccc(C)c1NC(=O)c1cnc2n(C)[n-]cc-2c1=O ZINC000181824413 426984933 /nfs/dbraw/zinc/98/49/33/426984933.db2.gz KACKRSHIYMDGGN-UHFFFAOYSA-N -1 1 310.357 2.797 20 0 DFADMM CC[C@H](COCC(F)(F)F)NC(=O)c1cc(F)ccc1[O-] ZINC000295512808 426987670 /nfs/dbraw/zinc/98/76/70/426987670.db2.gz UWIXOMOENKJLFB-SECBINFHSA-N -1 1 309.259 2.619 20 0 DFADMM O=C(c1cc(F)ccc1[O-])N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000181904888 426992231 /nfs/dbraw/zinc/99/22/31/426992231.db2.gz IQPXZNYNAOQGQI-CQSZACIVSA-N -1 1 319.307 2.964 20 0 DFADMM CCc1ccc(NC(=O)CN2CCCC[C@H]2CC(=O)[O-])cc1 ZINC000314701329 426931435 /nfs/dbraw/zinc/93/14/35/426931435.db2.gz JPRASTHNISAELY-HNNXBMFYSA-N -1 1 304.390 2.517 20 0 DFADMM Cc1ccc(Cl)cc1NC(=O)CN1CCCC[C@H]1CC(=O)[O-] ZINC000314679793 426931626 /nfs/dbraw/zinc/93/16/26/426931626.db2.gz 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CCOC(=O)C(C)(C)NC(=O)c1ccc2ccccc2c1[O-] ZINC000171314189 271103024 /nfs/dbraw/zinc/10/30/24/271103024.db2.gz TWMSNXMEPHULHB-UHFFFAOYSA-N -1 1 301.342 2.617 20 0 DFADMM CCc1ccc(OC(=O)c2ccc(C(=O)OC)[n-]2)c(OC)c1 ZINC000292300555 427162894 /nfs/dbraw/zinc/16/28/94/427162894.db2.gz UPKYWGBBBBAPRQ-UHFFFAOYSA-N -1 1 303.314 2.592 20 0 DFADMM Cc1ccc(NC(=O)c2ccccc2[O-])cc1N1CCOC1=O ZINC000174048910 271124003 /nfs/dbraw/zinc/12/40/03/271124003.db2.gz WEYIHHUXXCLRHD-UHFFFAOYSA-N -1 1 312.325 2.910 20 0 DFADMM CCOc1ccc(S(=O)(=O)[N-]c2cccnc2C)c(C)c1 ZINC000174329618 271138329 /nfs/dbraw/zinc/13/83/29/271138329.db2.gz SHADNRNCCVDNLZ-UHFFFAOYSA-N -1 1 306.387 2.898 20 0 DFADMM CCc1cc(=O)[n-]c(SCc2cn3cc(Cl)ccc3n2)n1 ZINC000188121171 271201283 /nfs/dbraw/zinc/20/12/83/271201283.db2.gz JSKKBQPLINRPGV-UHFFFAOYSA-N -1 1 320.805 2.926 20 0 DFADMM CCO[C@@H](C)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182930406 427168375 /nfs/dbraw/zinc/16/83/75/427168375.db2.gz YOQBLXJQCMNIES-QMMMGPOBSA-N -1 1 302.168 2.827 20 0 DFADMM C[C@@H]1CCCN(C(=O)c2cc(C3CCCCC3)[nH]n2)[C@@H]1C(=O)[O-] ZINC000333626812 271382269 /nfs/dbraw/zinc/38/22/69/271382269.db2.gz VDUNNJTXCYDZJD-ABAIWWIYSA-N -1 1 319.405 2.783 20 0 DFADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)c1 ZINC000269396222 427186023 /nfs/dbraw/zinc/18/60/23/427186023.db2.gz BPJZROKFICXGJY-UHFFFAOYSA-N -1 1 319.386 2.681 20 0 DFADMM CCc1ccc([C@@H]2CN(C(=O)c3ncccc3[O-])CCO2)cc1 ZINC000190920722 427204384 /nfs/dbraw/zinc/20/43/84/427204384.db2.gz AYBVZSPHLWVTSK-INIZCTEOSA-N -1 1 312.369 2.563 20 0 DFADMM CC(C)Sc1ccc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cc1 ZINC000183412466 427264812 /nfs/dbraw/zinc/26/48/12/427264812.db2.gz UUZRVRJFFOISKZ-LLVKDONJSA-N -1 1 319.434 2.576 20 0 DFADMM C[C@H](NC(=O)c1c([O-])cnc2ccc(Cl)cc21)[C@@H]1CCCO1 ZINC000338340058 427265810 /nfs/dbraw/zinc/26/58/10/427265810.db2.gz VYUIZRUDQVVTSK-XPTSAGLGSA-N -1 1 320.776 2.891 20 0 DFADMM CCOC[C@H](C)CS(=O)(=O)[N-][C@@H](c1ccccc1)C(F)F ZINC000296891786 427267935 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/nfs/dbraw/zinc/27/18/21/429271821.db2.gz BELLVLBZHUGATN-MDZLAQPJSA-N -1 1 309.793 2.669 20 0 DFADMM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NC(C)(C)c1nn[n-]n1 ZINC000490022494 429274470 /nfs/dbraw/zinc/27/44/70/429274470.db2.gz XKSZJBWZFGHMLF-NWDGAFQWSA-N -1 1 313.405 2.541 20 0 DFADMM O=C(NCCC[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000456736486 429344709 /nfs/dbraw/zinc/34/47/09/429344709.db2.gz BTIHBECZAMHBOS-JTQLQIEISA-N -1 1 317.307 2.958 20 0 DFADMM CCOC(=O)CN(Cc1ncccc1[O-])[C@@H](C)c1ccccc1 ZINC000517782707 429398772 /nfs/dbraw/zinc/39/87/72/429398772.db2.gz XWBNALFQZGQKJQ-AWEZNQCLSA-N -1 1 314.385 2.914 20 0 DFADMM CC(C)(C)n1cnnc1SCCC(=O)c1ccc([O-])cc1O ZINC000517959652 429407826 /nfs/dbraw/zinc/40/78/26/429407826.db2.gz GFYJSJJCRDBLBL-UHFFFAOYSA-N -1 1 321.402 2.809 20 0 DFADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)[C@@H]1CCSC1 ZINC000518083407 429409227 /nfs/dbraw/zinc/40/92/27/429409227.db2.gz HFKPWVGYZUUCIW-MRVPVSSYSA-N -1 1 324.793 2.522 20 0 DFADMM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)[C@@H]1CCSC1 ZINC000518083407 429409232 /nfs/dbraw/zinc/40/92/32/429409232.db2.gz HFKPWVGYZUUCIW-MRVPVSSYSA-N -1 1 324.793 2.522 20 0 DFADMM O=C(Nc1ccc([O-])c(F)c1F)c1cc(N2CCCC2)ccn1 ZINC000456792308 429350255 /nfs/dbraw/zinc/35/02/55/429350255.db2.gz IXUGORRMQOBIBY-UHFFFAOYSA-N -1 1 319.311 2.918 20 0 DFADMM C[C@@H]1CN(C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)[C@@H]1c1ccccc1 ZINC000365774277 429371041 /nfs/dbraw/zinc/37/10/41/429371041.db2.gz DLDUJWXNMASSGQ-LKYYLSHWSA-N -1 1 321.384 2.567 20 0 DFADMM Fc1ccc2nc(C[N-]c3nnc([C@H]4CCCO4)o3)sc2c1 ZINC000515116137 429375021 /nfs/dbraw/zinc/37/50/21/429375021.db2.gz PBXWBSSFEYOLMS-SNVBAGLBSA-N -1 1 320.349 3.282 20 0 DFADMM C[C@@H]1CCc2onc(C(=O)[N-]c3nnc(C(C)(C)C)s3)c2C1 ZINC000515280552 429376838 /nfs/dbraw/zinc/37/68/38/429376838.db2.gz MDKABWFVKOCFFG-MRVPVSSYSA-N -1 1 320.418 3.201 20 0 DFADMM C[C@@H](O[N-]C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1ccccc1 ZINC000365816948 429377649 /nfs/dbraw/zinc/37/76/49/429377649.db2.gz 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429420850 /nfs/dbraw/zinc/42/08/50/429420850.db2.gz FYJSOUOSWSXSHO-HNNXBMFYSA-N -1 1 312.369 2.779 20 0 DFADMM COCc1nc(=NCC2CCC(C(F)(F)F)CC2)s[n-]1 ZINC000426907346 429424317 /nfs/dbraw/zinc/42/43/17/429424317.db2.gz PPNHOXLQPYTEBB-UHFFFAOYSA-N -1 1 309.357 2.887 20 0 DFADMM O=C(C[C@@H]1CCCN1C(=O)c1cncc([O-])c1)c1ccccc1 ZINC000366181636 429429997 /nfs/dbraw/zinc/42/99/97/429429997.db2.gz IYWHJNGDYBFDPM-HNNXBMFYSA-N -1 1 310.353 2.665 20 0 DFADMM Cc1cnc(C(=O)NCc2cccc(OC(C)(C)C)n2)c([O-])c1 ZINC000428028301 429483931 /nfs/dbraw/zinc/48/39/31/429483931.db2.gz RUSSEDCRPSSDHH-UHFFFAOYSA-N -1 1 315.373 2.598 20 0 DFADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)C[C@H](C)CC)n[n-]1 ZINC000519754305 429484383 /nfs/dbraw/zinc/48/43/83/429484383.db2.gz LSVSYCGTUXXLNL-VXGBXAGGSA-N -1 1 324.425 2.621 20 0 DFADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)C[C@H](C)CC)[n-]1 ZINC000519754305 429484387 /nfs/dbraw/zinc/48/43/87/429484387.db2.gz LSVSYCGTUXXLNL-VXGBXAGGSA-N -1 1 324.425 2.621 20 0 DFADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)C[C@H](C)CC)n1 ZINC000519754305 429484392 /nfs/dbraw/zinc/48/43/92/429484392.db2.gz LSVSYCGTUXXLNL-VXGBXAGGSA-N -1 1 324.425 2.621 20 0 DFADMM Cc1nn(C)c(Cl)c1/C=C\C(=O)Nc1ccc(F)cc1[O-] ZINC000492290316 429504316 /nfs/dbraw/zinc/50/43/16/429504316.db2.gz TVOPCYQRINJEBT-XQRVVYSFSA-N -1 1 309.728 2.879 20 0 DFADMM COc1ccccc1C[C@H](C)N(C)Cc1noc(C)c1C(=O)[O-] ZINC000520823722 429530824 /nfs/dbraw/zinc/53/08/24/429530824.db2.gz LUPZYNLSUWXJSR-NSHDSACASA-N -1 1 318.373 2.753 20 0 DFADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1CCSCC1 ZINC000522144458 429581008 /nfs/dbraw/zinc/58/10/08/429581008.db2.gz HTTAMEYJDXMKJP-UHFFFAOYSA-N -1 1 303.387 2.864 20 0 DFADMM O=C(CSc1n[nH]c(-c2cccnc2)n1)c1ccc([O-])cc1 ZINC000524465598 429623681 /nfs/dbraw/zinc/62/36/81/429623681.db2.gz MDAINVQVLDALGK-UHFFFAOYSA-N -1 1 312.354 2.547 20 0 DFADMM O=S(=O)([N-]C[C@H]1CCC(F)(F)C1)c1cc(F)ccc1F ZINC000429914390 429638866 /nfs/dbraw/zinc/63/88/66/429638866.db2.gz 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429696517 /nfs/dbraw/zinc/69/65/17/429696517.db2.gz NXDCSIATEOWMRS-GFWSLJDESA-N -1 1 311.328 2.604 20 0 DFADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCCC2(CCCC2)C1 ZINC000526115517 429703039 /nfs/dbraw/zinc/70/30/39/429703039.db2.gz QQDLFBYUSHRTLY-UHFFFAOYSA-N -1 1 311.385 2.720 20 0 DFADMM O=C(c1cccc2nn[nH]c21)N1CC=C(c2ccccc2F)C1 ZINC000527362024 429746226 /nfs/dbraw/zinc/74/62/26/429746226.db2.gz VGUPNFFFDYXKQD-UHFFFAOYSA-N -1 1 308.316 2.636 20 0 DFADMM COc1cc(C(=O)N[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc(Cl)c1[O-] ZINC000527193615 429731419 /nfs/dbraw/zinc/73/14/19/429731419.db2.gz RKSNAFCBGGXBAM-DOFRTFSJSA-N -1 1 313.781 2.740 20 0 DFADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@H](n2cccn2)C1 ZINC000367872618 429732604 /nfs/dbraw/zinc/73/26/04/429732604.db2.gz HKCMZEOVRUZHQU-AWEZNQCLSA-N -1 1 307.353 2.829 20 0 DFADMM CC[C@@H]([N-]S(=O)(=O)c1sccc1Cl)C1CCOCC1 ZINC000451279054 429803268 /nfs/dbraw/zinc/80/32/68/429803268.db2.gz ZKBUTQVIVGQQAF-LLVKDONJSA-N -1 1 323.867 2.885 20 0 DFADMM O=S(=O)([N-][C@H](c1ccccc1)C(F)F)c1cncc(F)c1 ZINC000431620341 429773707 /nfs/dbraw/zinc/77/37/07/429773707.db2.gz WIQBSRJEOJWZSN-GFCCVEGCSA-N -1 1 316.304 2.505 20 0 DFADMM C[C@@H]([N-]S(=O)(=O)c1sccc1Cl)[C@@H]1CCCCO1 ZINC000451375924 429820701 /nfs/dbraw/zinc/82/07/01/429820701.db2.gz NRBNNIGDAUSPQJ-SCZZXKLOSA-N -1 1 309.840 2.637 20 0 DFADMM CC1(C)CC[C@H](C[N-]S(=O)(=O)c2sccc2Cl)O1 ZINC000451423843 429828025 /nfs/dbraw/zinc/82/80/25/429828025.db2.gz RSSUVSINVFZYCJ-MRVPVSSYSA-N -1 1 309.840 2.637 20 0 DFADMM Cc1ccccc1-c1nc(=NCC2([S@@](C)=O)CCC2)s[n-]1 ZINC000527997006 429834421 /nfs/dbraw/zinc/83/44/21/429834421.db2.gz SQOGOZNRYCMHIO-OAQYLSRUSA-N -1 1 321.471 2.649 20 0 DFADMM Cc1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)c(O)c1 ZINC000432766149 429838990 /nfs/dbraw/zinc/83/89/90/429838990.db2.gz OHXFLZPTBLPYKK-UHFFFAOYSA-N -1 1 306.387 2.567 20 0 DFADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1Cc2c1cccc2Cl ZINC000528140221 429853239 /nfs/dbraw/zinc/85/32/39/429853239.db2.gz QJXAAQVDXLIELA-SSDOTTSWSA-N 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O=C([O-])Cc1ccc(-n2[nH]c3c(c2=O)CCCCCC3)cc1 ZINC000634633184 430061159 /nfs/dbraw/zinc/06/11/59/430061159.db2.gz MYELWRISRAHFNC-CQSZACIVSA-N -1 1 300.358 2.987 20 0 DFADMM O=C(c1ccc([O-])cc1)C1CCN(Cc2ccns2)CC1 ZINC000637885733 430161535 /nfs/dbraw/zinc/16/15/35/430161535.db2.gz ZKTDRJQUCRCMOC-UHFFFAOYSA-N -1 1 302.399 2.944 20 0 DFADMM Cc1c(C(=O)[O-])sc2nc(C)nc(N[C@@H]3CSC[C@H]3C)c12 ZINC000581073113 430175416 /nfs/dbraw/zinc/17/54/16/430175416.db2.gz ATNICLBDNZAZIA-HZGVNTEJSA-N -1 1 323.443 2.592 20 0 DFADMM Cc1nc(CNC(=O)c2cc(F)ccc2[O-])nc2ccccc12 ZINC000530951307 430128940 /nfs/dbraw/zinc/12/89/40/430128940.db2.gz UZKZUDGGFCSEBI-UHFFFAOYSA-N -1 1 311.316 2.713 20 0 DFADMM C[C@H]1CCN(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)C1 ZINC000539769689 430178731 /nfs/dbraw/zinc/17/87/31/430178731.db2.gz HFWMAXAOKKKCTP-NSHDSACASA-N -1 1 323.443 2.809 20 0 DFADMM O=S(=O)([N-][C@@H](CO)C1CCCCC1)c1cc2ccccc2o1 ZINC000562531954 430144436 /nfs/dbraw/zinc/14/44/36/430144436.db2.gz FKNZZNLTSGQTSC-AWEZNQCLSA-N 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C[C@H](CO)CCCNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436776723 297033791 /nfs/dbraw/zinc/03/37/91/297033791.db2.gz LUFBZSFVKUNTGD-VIFPVBQESA-N -1 1 305.296 2.549 20 0 DFADMM COc1cc(C(=O)N2CC[C@@H](C)[C@H](OC)C2)cc(Cl)c1[O-] ZINC000436842171 297039387 /nfs/dbraw/zinc/03/93/87/297039387.db2.gz VYWGGLMHIIFMLV-NOZJJQNGSA-N -1 1 313.781 2.551 20 0 DFADMM COC(=O)C(C)(C)CCNC(=O)c1ccc2ccccc2c1[O-] ZINC000436847760 297039878 /nfs/dbraw/zinc/03/98/78/297039878.db2.gz LJQYDISZKDLJIF-UHFFFAOYSA-N -1 1 315.369 2.865 20 0 DFADMM CC(C)n1nc2c(c1NC(=O)c1ccc(O)cc1[O-])CCC2 ZINC000436854906 297039933 /nfs/dbraw/zinc/03/99/33/297039933.db2.gz HSOVOICAFXALOF-UHFFFAOYSA-N -1 1 301.346 2.616 20 0 DFADMM COc1cccc(C2(NC(=O)c3ccc([O-])cc3F)CC2)c1 ZINC000436866936 297040815 /nfs/dbraw/zinc/04/08/15/297040815.db2.gz ZRHCASNMBGGTQI-UHFFFAOYSA-N -1 1 301.317 2.959 20 0 DFADMM Cc1cc(=O)c2cc(NC(=O)c3ccc([O-])cc3F)ccc2[nH]1 ZINC000436871769 297041132 /nfs/dbraw/zinc/04/11/32/297041132.db2.gz KYDKJGYDKPPHOK-UHFFFAOYSA-N -1 1 312.300 2.934 20 0 DFADMM Cc1cc(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)ccc1O ZINC000436895435 297042646 /nfs/dbraw/zinc/04/26/46/297042646.db2.gz JBHPFSHLKAUCRS-HNNXBMFYSA-N -1 1 324.424 2.877 20 0 DFADMM CC(C)[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CCO1 ZINC000436894239 297042709 /nfs/dbraw/zinc/04/27/09/297042709.db2.gz QCPLFPLECQVOCK-ZDUSSCGKSA-N -1 1 317.307 2.908 20 0 DFADMM CN(C)Cc1ccnc(NC(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC000436918442 297045046 /nfs/dbraw/zinc/04/50/46/297045046.db2.gz INGHBXGHAAERPC-UHFFFAOYSA-N -1 1 323.755 2.894 20 0 DFADMM CCCCO[C@H]1C[C@H](NC(=O)C(=O)c2ccc([O-])cc2)C1(C)C ZINC000436938025 297046469 /nfs/dbraw/zinc/04/64/69/297046469.db2.gz SLEWXZHFBVLTGT-GJZGRUSLSA-N -1 1 319.401 2.675 20 0 DFADMM CC(C)[C@@H](CNC(=O)C(=O)c1ccc([O-])cc1)c1cccnc1 ZINC000436941700 297046758 /nfs/dbraw/zinc/04/67/58/297046758.db2.gz RICHXXCMVQZZHN-MRXNPFEDSA-N -1 1 312.369 2.526 20 0 DFADMM CCCCOc1ccc(NC(=O)c2ccc(O)cc2[O-])cn1 ZINC000436956410 297047751 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C[C@@H]1CSC[C@@H]1NC(=O)c1ccc(Br)cc1[O-] ZINC000397927333 295489244 /nfs/dbraw/zinc/48/92/44/295489244.db2.gz KNKQCXJAXXURIN-XCBNKYQSSA-N -1 1 316.220 2.636 20 0 DFADMM CS(=O)(=O)[N-]c1ccc(Oc2nc3cc(F)ccc3o2)cn1 ZINC000439127221 297116427 /nfs/dbraw/zinc/11/64/27/297116427.db2.gz INELHOYWTUQDFA-UHFFFAOYSA-N -1 1 323.305 2.526 20 0 DFADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2CO[C@@H](C)C2)c1 ZINC000439745572 297136848 /nfs/dbraw/zinc/13/68/48/297136848.db2.gz LTTCRDQZDXRHQD-DTWKUNHWSA-N -1 1 314.179 2.827 20 0 DFADMM COc1cc(C(=O)NC[C@@H](O)CC(C)(C)C)cc(Cl)c1[O-] ZINC000442665707 297199860 /nfs/dbraw/zinc/19/98/60/297199860.db2.gz NMYMGIMMUAYGEM-JTQLQIEISA-N -1 1 315.797 2.581 20 0 DFADMM COc1cc(C(=O)N2CC[C@H](OC)C[C@@H]2C)cc(Cl)c1[O-] ZINC000442891694 297210009 /nfs/dbraw/zinc/21/00/09/297210009.db2.gz CSIOZQHPLPXGDD-ONGXEEELSA-N -1 1 313.781 2.694 20 0 DFADMM CC(C)c1ncc(CN(C)C(=O)c2cc(F)ccc2[O-])cn1 ZINC000442981722 297212273 /nfs/dbraw/zinc/21/22/73/297212273.db2.gz 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O=C(N[C@@H]1CCc2cc(O)ccc2C1)c1ccc([O-])c(F)c1 ZINC000683504760 546046809 /nfs/dbraw/zinc/04/68/09/546046809.db2.gz IZUMKHPSBWVZRG-CYBMUJFWSA-N -1 1 301.317 2.524 20 0 DFADMM O=C(Nc1c([O-])cccc1F)c1ccc(O[C@@H]2CCOC2)cc1 ZINC000684057548 546144638 /nfs/dbraw/zinc/14/46/38/546144638.db2.gz OCRSLZQEOMHUFM-CYBMUJFWSA-N -1 1 317.316 2.951 20 0 DFADMM CC(C)(NC(=O)c1cc(Br)ccc1[O-])C(F)F ZINC000684339799 546195073 /nfs/dbraw/zinc/19/50/73/546195073.db2.gz FWGJJCTVHMNEGG-UHFFFAOYSA-N -1 1 308.122 2.928 20 0 DFADMM O=C([O-])[C@@H]1CCCN1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000684749475 546273198 /nfs/dbraw/zinc/27/31/98/546273198.db2.gz OBDLEUCHGBRQDD-JTQLQIEISA-N -1 1 324.287 2.581 20 0 DFADMM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)[C@@H](C)CO1 ZINC000684870354 546295710 /nfs/dbraw/zinc/29/57/10/546295710.db2.gz BYLBFKSUMOZUIX-IUCAKERBSA-N -1 1 303.280 2.660 20 0 DFADMM C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)c2ccc([O-])c(F)c2)C1 ZINC000684994428 546315300 /nfs/dbraw/zinc/31/53/00/546315300.db2.gz UFJJPEGVYJESDH-CUBALJKWSA-N -1 1 321.392 2.933 20 0 DFADMM O=C(N[C@H]1CCc2cc(O)ccc2C1)c1c(F)ccc([O-])c1F ZINC000685485130 546359024 /nfs/dbraw/zinc/35/90/24/546359024.db2.gz HRQTVSLBLUTQIQ-NSHDSACASA-N -1 1 319.307 2.663 20 0 DFADMM C[C@H]1CCCC[C@H]1Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736276572 598934441 /nfs/dbraw/zinc/93/44/41/598934441.db2.gz ZRERSJLRHGJQPD-CMPLNLGQSA-N -1 1 309.377 2.801 20 0 DFADMM C[C@H]1CCCC[C@H]1Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736276572 598934443 /nfs/dbraw/zinc/93/44/43/598934443.db2.gz ZRERSJLRHGJQPD-CMPLNLGQSA-N -1 1 309.377 2.801 20 0 DFADMM Cc1cccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000737394322 598958609 /nfs/dbraw/zinc/95/86/09/598958609.db2.gz RFHOBPMKTFVWLG-UHFFFAOYSA-N -1 1 317.356 2.730 20 0 DFADMM Cc1cccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000737394322 598958610 /nfs/dbraw/zinc/95/86/10/598958610.db2.gz RFHOBPMKTFVWLG-UHFFFAOYSA-N -1 1 317.356 2.730 20 0 DFADMM CC(C)(C)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735648442 598978553 /nfs/dbraw/zinc/97/85/53/598978553.db2.gz FEKNQBUOKFULRF-UHFFFAOYSA-N -1 1 322.372 2.812 20 0 DFADMM CC(C)(C)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735648442 598978554 /nfs/dbraw/zinc/97/85/54/598978554.db2.gz FEKNQBUOKFULRF-UHFFFAOYSA-N -1 1 322.372 2.812 20 0 DFADMM COC(C)(C)C[C@H](C)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821672196 599046204 /nfs/dbraw/zinc/04/62/04/599046204.db2.gz BXFHCKIVRXAKPZ-QMMMGPOBSA-N -1 1 310.789 2.531 20 0 DFADMM COC(C)(C)C[C@H](C)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821672196 599046205 /nfs/dbraw/zinc/04/62/05/599046205.db2.gz BXFHCKIVRXAKPZ-QMMMGPOBSA-N -1 1 310.789 2.531 20 0 DFADMM CC1(C)[C@@H]2CN(c3cc(-c4nnn[n-]4)nc4ccccc43)C[C@@H]21 ZINC000820585462 599049873 /nfs/dbraw/zinc/04/98/73/599049873.db2.gz NQSKKMKLHOARIF-TXEJJXNPSA-N -1 1 306.373 2.507 20 0 DFADMM CC1(C)[C@@H]2CN(c3cc(-c4nn[n-]n4)nc4ccccc43)C[C@@H]21 ZINC000820585462 599049877 /nfs/dbraw/zinc/04/98/77/599049877.db2.gz NQSKKMKLHOARIF-TXEJJXNPSA-N -1 1 306.373 2.507 20 0 DFADMM C[C@H]1CN(Cc2ccc(F)cc2Br)C[C@H]1C(=O)[O-] ZINC000251702031 601529318 /nfs/dbraw/zinc/52/93/18/601529318.db2.gz IXJMMPNOPPYEJK-GZMMTYOYSA-N -1 1 316.170 2.741 20 0 DFADMM COc1ccccc1[C@H](C)Sc1nccnc1-c1nn[n-]n1 ZINC000821882518 599067865 /nfs/dbraw/zinc/06/78/65/599067865.db2.gz CTPNSOYPNKIWAA-VIFPVBQESA-N -1 1 314.374 2.519 20 0 DFADMM CS[C@H]1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000821951539 599073602 /nfs/dbraw/zinc/07/36/02/599073602.db2.gz ZZHHCZGVOAWQHL-WDSKDSINSA-N -1 1 316.843 2.673 20 0 DFADMM CS[C@H]1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000821951539 599073605 /nfs/dbraw/zinc/07/36/05/599073605.db2.gz ZZHHCZGVOAWQHL-WDSKDSINSA-N -1 1 316.843 2.673 20 0 DFADMM C[C@@H]1C[C@H](C)CN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000736226968 599252706 /nfs/dbraw/zinc/25/27/06/599252706.db2.gz KAFZLGCFYDCADR-TXEJJXNPSA-N -1 1 308.389 2.897 20 0 DFADMM C[C@@H]1C[C@H](C)CN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000736226968 599252707 /nfs/dbraw/zinc/25/27/07/599252707.db2.gz KAFZLGCFYDCADR-TXEJJXNPSA-N -1 1 308.389 2.897 20 0 DFADMM CCOc1cccc(CN2CC[C@@H](C(=O)[O-])C2)c1OC(F)F ZINC000820391595 598129165 /nfs/dbraw/zinc/12/91/65/598129165.db2.gz CTRKKIYRYWVMOR-LLVKDONJSA-N -1 1 315.316 2.593 20 0 DFADMM CN(Cc1cccs1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736829985 598275083 /nfs/dbraw/zinc/27/50/83/598275083.db2.gz NSYTZIDIUIVPLS-UHFFFAOYSA-N -1 1 306.782 2.613 20 0 DFADMM CN(Cc1cccs1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736829985 598275085 /nfs/dbraw/zinc/27/50/85/598275085.db2.gz NSYTZIDIUIVPLS-UHFFFAOYSA-N -1 1 306.782 2.613 20 0 DFADMM CC(C)[C@H](CNc1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC000735707833 598342277 /nfs/dbraw/zinc/34/22/77/598342277.db2.gz FGLBPVVCRZMQMI-ZDUSSCGKSA-N -1 1 309.377 2.508 20 0 DFADMM CC(C)[C@H](CNc1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC000735707833 598342279 /nfs/dbraw/zinc/34/22/79/598342279.db2.gz FGLBPVVCRZMQMI-ZDUSSCGKSA-N -1 1 309.377 2.508 20 0 DFADMM CN(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)n1 ZINC000736817159 599395621 /nfs/dbraw/zinc/39/56/21/599395621.db2.gz TVQJDNGUDAKVSU-UHFFFAOYSA-N -1 1 300.753 2.552 20 0 DFADMM CN(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)n1 ZINC000736817159 599395622 /nfs/dbraw/zinc/39/56/22/599395622.db2.gz TVQJDNGUDAKVSU-UHFFFAOYSA-N -1 1 300.753 2.552 20 0 DFADMM CC(C)(C)[C@H]1OCCC[C@@H]1CNc1cccc(-c2nnn[n-]2)n1 ZINC000735595049 599440383 /nfs/dbraw/zinc/44/03/83/599440383.db2.gz DJULKDCCLLTKDG-RISCZKNCSA-N -1 1 316.409 2.515 20 0 DFADMM CC(C)(C)[C@H]1OCCC[C@@H]1CNc1cccc(-c2nn[n-]n2)n1 ZINC000735595049 599440385 /nfs/dbraw/zinc/44/03/85/599440385.db2.gz DJULKDCCLLTKDG-RISCZKNCSA-N -1 1 316.409 2.515 20 0 DFADMM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1cccc(-c2nnn[n-]2)n1 ZINC000736235636 599471981 /nfs/dbraw/zinc/47/19/81/599471981.db2.gz OZSMRVROOXJKKV-WCQYABFASA-N -1 1 324.363 2.783 20 0 DFADMM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1cccc(-c2nn[n-]n2)n1 ZINC000736235636 599471982 /nfs/dbraw/zinc/47/19/82/599471982.db2.gz OZSMRVROOXJKKV-WCQYABFASA-N -1 1 324.363 2.783 20 0 DFADMM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1cccc(-c2nnn[n-]2)n1 ZINC000736235635 599472043 /nfs/dbraw/zinc/47/20/43/599472043.db2.gz OZSMRVROOXJKKV-DGCLKSJQSA-N -1 1 324.363 2.783 20 0 DFADMM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1cccc(-c2nn[n-]n2)n1 ZINC000736235635 599472045 /nfs/dbraw/zinc/47/20/45/599472045.db2.gz OZSMRVROOXJKKV-DGCLKSJQSA-N -1 1 324.363 2.783 20 0 DFADMM Cc1cccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)n1 ZINC000822304401 599486402 /nfs/dbraw/zinc/48/64/02/599486402.db2.gz XASQXBFXKZQLNV-UHFFFAOYSA-N -1 1 317.356 2.730 20 0 DFADMM Cc1cccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)n1 ZINC000822304401 599486404 /nfs/dbraw/zinc/48/64/04/599486404.db2.gz XASQXBFXKZQLNV-UHFFFAOYSA-N -1 1 317.356 2.730 20 0 DFADMM Clc1nsc(N(CC2CC2)CC2CC2)c1-c1nnn[n-]1 ZINC000822591082 599560671 /nfs/dbraw/zinc/56/06/71/599560671.db2.gz QHTKILWZOQQIBM-UHFFFAOYSA-N -1 1 310.814 2.603 20 0 DFADMM Clc1nsc(N(CC2CC2)CC2CC2)c1-c1nn[n-]n1 ZINC000822591082 599560673 /nfs/dbraw/zinc/56/06/73/599560673.db2.gz QHTKILWZOQQIBM-UHFFFAOYSA-N -1 1 310.814 2.603 20 0 DFADMM COc1ccc([C@H](C)CCNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000821777702 599588044 /nfs/dbraw/zinc/58/80/44/599588044.db2.gz LMQQMKCKUKRRRW-GFCCVEGCSA-N -1 1 324.388 2.876 20 0 DFADMM COc1ccc([C@H](C)CCNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000821777702 599588048 /nfs/dbraw/zinc/58/80/48/599588048.db2.gz LMQQMKCKUKRRRW-GFCCVEGCSA-N -1 1 324.388 2.876 20 0 DFADMM Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])o2)c(Cl)c1 ZINC000020593468 599734471 /nfs/dbraw/zinc/73/44/71/599734471.db2.gz MZNZMOFFOTWSPZ-UHFFFAOYSA-N -1 1 315.734 2.740 20 0 DFADMM O=C([O-])c1ccc2c(c1)CN(CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000322042253 600087471 /nfs/dbraw/zinc/08/74/71/600087471.db2.gz SGWMNKOQUXXNBL-UHFFFAOYSA-N -1 1 312.325 2.851 20 0 DFADMM C[C@H](c1ccccc1)N(C)C(=O)CNC1(C(=O)[O-])CCCCC1 ZINC000736725142 600149822 /nfs/dbraw/zinc/14/98/22/600149822.db2.gz SBPHKLBWKYVVBR-CQSZACIVSA-N -1 1 318.417 2.583 20 0 DFADMM CCC[C@](C)(NCC(=O)N(C1CC1)C1CCC(C)CC1)C(=O)[O-] ZINC000736960213 600154971 /nfs/dbraw/zinc/15/49/71/600154971.db2.gz NGZZWALKKQPQNJ-JRSKDTKFSA-N -1 1 324.465 2.789 20 0 DFADMM CCC[C@](C)(NCC(=O)Nc1c(C)cccc1CC)C(=O)[O-] ZINC000314386644 600156316 /nfs/dbraw/zinc/15/63/16/600156316.db2.gz VCWLXMBSFVEPEP-KRWDZBQOSA-N -1 1 306.406 2.729 20 0 DFADMM CCN1C(=O)N=NC1S[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737296375 600377968 /nfs/dbraw/zinc/37/79/68/600377968.db2.gz ZDFBCKISBIOLPB-VIFPVBQESA-N -1 1 313.766 2.575 20 0 DFADMM O=C([O-])[C@@H](NCc1ccccn1)c1ccc(Br)cc1 ZINC000739503991 600416674 /nfs/dbraw/zinc/41/66/74/600416674.db2.gz GIXIPSPNIWGTKE-ZDUSSCGKSA-N -1 1 321.174 2.760 20 0 DFADMM CC1(C)CCCN(CC(=O)NCc2ccc(NC(=O)[O-])cc2)C1 ZINC000736732989 600541873 /nfs/dbraw/zinc/54/18/73/600541873.db2.gz WYUWCKIYBGPNBW-UHFFFAOYSA-N -1 1 319.405 2.515 20 0 DFADMM Fc1ccccc1CN(c1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC000826378286 607896779 /nfs/dbraw/zinc/89/67/79/607896779.db2.gz CIXQKJKTWKTBCR-UHFFFAOYSA-N -1 1 310.336 2.570 20 0 DFADMM Fc1ccccc1CN(c1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC000826378286 607896780 /nfs/dbraw/zinc/89/67/80/607896780.db2.gz CIXQKJKTWKTBCR-UHFFFAOYSA-N -1 1 310.336 2.570 20 0 DFADMM C[C@H](C(=O)OCc1cccc(C(=O)[O-])c1)N1[C@H](C)CC[C@@H]1C ZINC000736764898 600736605 /nfs/dbraw/zinc/73/66/05/600736605.db2.gz XSQXWYXRDLESRT-FRRDWIJNSA-N -1 1 305.374 2.689 20 0 DFADMM C[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1)N1[C@H](C)CC[C@@H]1C ZINC000736761384 600736729 /nfs/dbraw/zinc/73/67/29/600736729.db2.gz ICURAFMEZIQUSU-NWJSVONSSA-N -1 1 323.364 2.756 20 0 DFADMM C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000736761479 600757770 /nfs/dbraw/zinc/75/77/70/600757770.db2.gz JOYCCAOZPVRSCM-VXGBXAGGSA-N -1 1 305.378 2.612 20 0 DFADMM CC(C)CCN(C)[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000826849108 600818953 /nfs/dbraw/zinc/81/89/53/600818953.db2.gz UQTXXFCIWVCNAJ-GFCCVEGCSA-N -1 1 310.419 2.530 20 0 DFADMM C[C@@H]1CCCN([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC000828265713 600820720 /nfs/dbraw/zinc/82/07/20/600820720.db2.gz HDBXWMZOOVQARW-YPMHNXCESA-N -1 1 322.430 2.674 20 0 DFADMM C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000828214722 600959835 /nfs/dbraw/zinc/95/98/35/600959835.db2.gz REWXFYQFTFOBSK-UWVGGRQHSA-N -1 1 310.781 2.850 20 0 DFADMM CCCC[C@@H](C(=O)[O-])N(C)Cc1nccn1CC(F)(F)F ZINC000829276849 600996648 /nfs/dbraw/zinc/99/66/48/600996648.db2.gz NNDXKVSYMMZYKK-JTQLQIEISA-N -1 1 307.316 2.521 20 0 DFADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCC[C@H]2CCC[C@@H]21 ZINC000832917330 601019651 /nfs/dbraw/zinc/01/96/51/601019651.db2.gz WSGRHVZKCNWROY-CJNGLKHVSA-N -1 1 316.401 2.896 20 0 DFADMM O=C([O-])c1ccc(NC(=O)CN2C3CCCC2CCC3)cc1 ZINC000833105405 601019961 /nfs/dbraw/zinc/01/99/61/601019961.db2.gz JETFOEDDQHEALZ-UHFFFAOYSA-N -1 1 302.374 2.730 20 0 DFADMM COc1ccccc1CN(C/C=C(/C)C(=O)[O-])C[C@H]1CCCO1 ZINC000832614011 601167962 /nfs/dbraw/zinc/16/79/62/601167962.db2.gz VPOXIXVBHOSREG-IHWMJMDHSA-N -1 1 319.401 2.707 20 0 DFADMM C/C(=C/CN1CCC(C(F)(F)F)(C(F)(F)F)C1)C(=O)[O-] ZINC000825735710 601168734 /nfs/dbraw/zinc/16/87/34/601168734.db2.gz QXZMVOHGKAJKJZ-UQCOIBPSSA-N -1 1 305.218 2.834 20 0 DFADMM O=C([O-])[C@@]1(F)CCN(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000833175482 601447799 /nfs/dbraw/zinc/44/77/99/601447799.db2.gz RIAXZCYRHDBKDW-GFCCVEGCSA-N -1 1 307.243 2.584 20 0 DFADMM CCC1CCC(NCC(=O)N[C@@H]2CCCC[C@@H]2C)(C(=O)[O-])CC1 ZINC000829100971 601494924 /nfs/dbraw/zinc/49/49/24/601494924.db2.gz FTEUSIPQHMCTAH-YOFIQYCBSA-N -1 1 324.465 2.695 20 0 DFADMM CCC1CCC(NCC(=O)N(C(C)C)C(C)C)(C(=O)[O-])CC1 ZINC000829101026 601495732 /nfs/dbraw/zinc/49/57/32/601495732.db2.gz HRNYVDHSINQNIM-UHFFFAOYSA-N -1 1 312.454 2.645 20 0 DFADMM C[C@H]1CN(Cc2ccc(F)c(Br)c2)C[C@@H]1C(=O)[O-] ZINC000113395727 601540620 /nfs/dbraw/zinc/54/06/20/601540620.db2.gz JYSAGQSAONGNHC-WPRPVWTQSA-N -1 1 316.170 2.741 20 0 DFADMM C[C@H]1CCN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)[C@H]1C ZINC000828289590 601566037 /nfs/dbraw/zinc/56/60/37/601566037.db2.gz JFKYFTRIFMJFCR-UWVGGRQHSA-N -1 1 322.430 2.604 20 0 DFADMM CCN(Cc1ccnc(-c2nnn[n-]2)c1)c1ccc(C)cc1C ZINC000825439897 607516722 /nfs/dbraw/zinc/51/67/22/607516722.db2.gz SLYKQAHAOIWCKQ-UHFFFAOYSA-N -1 1 308.389 2.905 20 0 DFADMM CCN(Cc1ccnc(-c2nn[n-]n2)c1)c1ccc(C)cc1C ZINC000825439897 607516725 /nfs/dbraw/zinc/51/67/25/607516725.db2.gz SLYKQAHAOIWCKQ-UHFFFAOYSA-N -1 1 308.389 2.905 20 0 DFADMM CCCC(=O)N[C@@H]1CCCN(Cc2cc(C(=O)[O-])sc2C)C1 ZINC000829177176 601626244 /nfs/dbraw/zinc/62/62/44/601626244.db2.gz KXIBREXWVMKLAW-CYBMUJFWSA-N -1 1 324.446 2.635 20 0 DFADMM CCCC(=O)N[C@H]1CCCN(Cc2cc(C(=O)[O-])sc2C)C1 ZINC000829177177 601626517 /nfs/dbraw/zinc/62/65/17/601626517.db2.gz KXIBREXWVMKLAW-ZDUSSCGKSA-N -1 1 324.446 2.635 20 0 DFADMM COC(=O)c1ccc(CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])o1 ZINC000831385356 601654999 /nfs/dbraw/zinc/65/49/99/601654999.db2.gz SAYKJWPDGVUJDR-NHYWBVRUSA-N -1 1 317.341 2.618 20 0 DFADMM CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1ccsc1C(=O)[O-] ZINC000829140292 601837986 /nfs/dbraw/zinc/83/79/86/601837986.db2.gz CUQOOTXQFYJIKI-ZIAGYGMSSA-N -1 1 324.446 2.668 20 0 DFADMM CC(C)[C@@H](NC(=O)CN[C@@H](C(=O)[O-])C(C)(C)C)c1ccccc1 ZINC000826693758 601869213 /nfs/dbraw/zinc/86/92/13/601869213.db2.gz MMEOUTOGZPCAQL-CVEARBPZSA-N -1 1 320.433 2.589 20 0 DFADMM C[C@H](c1nnc(-c2cccs2)o1)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000827966405 601917513 /nfs/dbraw/zinc/91/75/13/601917513.db2.gz PRSGPULBKFQSJP-YMTOWFKASA-N -1 1 307.375 2.656 20 0 DFADMM COc1cc(CN(C)Cc2ccc(C(=O)[O-])s2)ccc1O ZINC000831989423 601940952 /nfs/dbraw/zinc/94/09/52/601940952.db2.gz AEIQCXAOLAVVMK-UHFFFAOYSA-N -1 1 307.371 2.793 20 0 DFADMM COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccc(C(=O)[O-])s1 ZINC000831101403 601942875 /nfs/dbraw/zinc/94/28/75/601942875.db2.gz VDVHKOBVOLQRRU-UHTWSYAYSA-N -1 1 323.414 2.752 20 0 DFADMM COc1ccc([C@@H](CO)N(C)Cc2ccc(C(=O)[O-])s2)cc1 ZINC000832240300 601956066 /nfs/dbraw/zinc/95/60/66/601956066.db2.gz AQIHHQYCLPHXJZ-CQSZACIVSA-N -1 1 321.398 2.620 20 0 DFADMM COc1c(C)cnc(CN2CCCC[C@H]2[C@H](C)NC(=O)[O-])c1C 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/nfs/dbraw/zinc/93/06/52/605930652.db2.gz OCXTXHOAPOZOMA-LBPRGKRZSA-N -1 1 303.387 2.652 20 0 DFADMM C[C@H](CCc1cccc(F)c1)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000833818069 606030091 /nfs/dbraw/zinc/03/00/91/606030091.db2.gz JKQHPWAFBROLKS-DVOMOZLQSA-N -1 1 324.396 2.504 20 0 DFADMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2Cc1cnc(C2CC2)s1 ZINC000834096457 606063338 /nfs/dbraw/zinc/06/33/38/606063338.db2.gz ZNWPZEYTZJAHHP-NEPJUHHUSA-N -1 1 307.419 2.737 20 0 DFADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2nc3c(s2)CCCC3)C1 ZINC000833816309 606070012 /nfs/dbraw/zinc/07/00/12/606070012.db2.gz ZAYVGTWQBFDWTG-NWDGAFQWSA-N -1 1 323.462 2.890 20 0 DFADMM Cc1cccc(COC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822304468 606132142 /nfs/dbraw/zinc/13/21/42/606132142.db2.gz XZXMWSBVNPAVOT-UHFFFAOYSA-N -1 1 300.343 2.594 20 0 DFADMM Cc1cccc(COC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822304468 606132144 /nfs/dbraw/zinc/13/21/44/606132144.db2.gz XZXMWSBVNPAVOT-UHFFFAOYSA-N -1 1 300.343 2.594 20 0 DFADMM C[C@H]1c2ccccc2CN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820827899 606137428 /nfs/dbraw/zinc/13/74/28/606137428.db2.gz YQOIFZZUWLBYDI-VIFPVBQESA-N -1 1 312.764 2.996 20 0 DFADMM C[C@H]1c2ccccc2CN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820827899 606137429 /nfs/dbraw/zinc/13/74/29/606137429.db2.gz YQOIFZZUWLBYDI-VIFPVBQESA-N -1 1 312.764 2.996 20 0 DFADMM C[C@H](C1CC1)n1nccc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000820219375 606415749 /nfs/dbraw/zinc/41/57/49/606415749.db2.gz FPLIPCNRMCNOKQ-SECBINFHSA-N -1 1 315.406 2.708 20 0 DFADMM CC(C)CCN(c1ccc(Cl)c(-c2nnn[n-]2)n1)C1CC1 ZINC000820077069 606449845 /nfs/dbraw/zinc/44/98/45/606449845.db2.gz ZQBNERPQIUTOLW-UHFFFAOYSA-N -1 1 306.801 2.930 20 0 DFADMM CC(C)CCN(c1ccc(Cl)c(-c2nn[n-]n2)n1)C1CC1 ZINC000820077069 606449847 /nfs/dbraw/zinc/44/98/47/606449847.db2.gz ZQBNERPQIUTOLW-UHFFFAOYSA-N -1 1 306.801 2.930 20 0 DFADMM Clc1ccc(N2CC[C@H]2c2ccccc2)nc1-c1nnn[n-]1 ZINC000822573563 606457453 /nfs/dbraw/zinc/45/74/53/606457453.db2.gz ASVQATRWFWBXOS-LBPRGKRZSA-N -1 1 312.764 2.867 20 0 DFADMM Clc1ccc(N2CC[C@H]2c2ccccc2)nc1-c1nn[n-]n1 ZINC000822573563 606457454 /nfs/dbraw/zinc/45/74/54/606457454.db2.gz ASVQATRWFWBXOS-LBPRGKRZSA-N -1 1 312.764 2.867 20 0 DFADMM Clc1ccc(N2CCC[C@@H]3CCC[C@H]32)nc1-c1nnn[n-]1 ZINC000822578592 606469132 /nfs/dbraw/zinc/46/91/32/606469132.db2.gz LHGUIGIHAUCVLI-GXSJLCMTSA-N -1 1 304.785 2.684 20 0 DFADMM Clc1ccc(N2CCC[C@@H]3CCC[C@H]32)nc1-c1nn[n-]n1 ZINC000822578592 606469133 /nfs/dbraw/zinc/46/91/33/606469133.db2.gz LHGUIGIHAUCVLI-GXSJLCMTSA-N -1 1 304.785 2.684 20 0 DFADMM C[C@H]1Cc2ccccc2N1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820813428 606485595 /nfs/dbraw/zinc/48/55/95/606485595.db2.gz GTJRTLDUDONGJX-VIFPVBQESA-N -1 1 311.370 2.520 20 0 DFADMM C[C@H]1Cc2ccccc2N1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820813428 606485596 /nfs/dbraw/zinc/48/55/96/606485596.db2.gz GTJRTLDUDONGJX-VIFPVBQESA-N -1 1 311.370 2.520 20 0 DFADMM Cc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)s2)c(C)c1 ZINC000822259463 606492430 /nfs/dbraw/zinc/49/24/30/606492430.db2.gz XMQAQDUUUWZYSW-UHFFFAOYSA-N -1 1 300.343 2.764 20 0 DFADMM Cc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)s2)c(C)c1 ZINC000822259463 606492432 /nfs/dbraw/zinc/49/24/32/606492432.db2.gz XMQAQDUUUWZYSW-UHFFFAOYSA-N -1 1 300.343 2.764 20 0 DFADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000820513047 606493669 /nfs/dbraw/zinc/49/36/69/606493669.db2.gz SSCISQXHHGJQQL-VIFPVBQESA-N -1 1 300.343 2.846 20 0 DFADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000820513047 606493671 /nfs/dbraw/zinc/49/36/71/606493671.db2.gz SSCISQXHHGJQQL-VIFPVBQESA-N -1 1 300.343 2.846 20 0 DFADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(F)cc1 ZINC000821160362 606495205 /nfs/dbraw/zinc/49/52/05/606495205.db2.gz JQHFREGXXCKZOG-UHFFFAOYSA-N -1 1 317.349 2.734 20 0 DFADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(F)cc1 ZINC000821160362 606495206 /nfs/dbraw/zinc/49/52/06/606495206.db2.gz JQHFREGXXCKZOG-UHFFFAOYSA-N -1 1 317.349 2.734 20 0 DFADMM C[C@H](c1cccs1)N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820570175 606527189 /nfs/dbraw/zinc/52/71/89/606527189.db2.gz DZXNSHVWUHGPQQ-MRVPVSSYSA-N -1 1 319.415 2.823 20 0 DFADMM C[C@H](c1cccs1)N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820570175 606527192 /nfs/dbraw/zinc/52/71/92/606527192.db2.gz DZXNSHVWUHGPQQ-MRVPVSSYSA-N -1 1 319.415 2.823 20 0 DFADMM CC(C)[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000820038086 606562221 /nfs/dbraw/zinc/56/22/21/606562221.db2.gz KKDMDGPFFKNGFJ-LLVKDONJSA-N -1 1 319.434 2.827 20 0 DFADMM CC(C)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000820038086 606562223 /nfs/dbraw/zinc/56/22/23/606562223.db2.gz KKDMDGPFFKNGFJ-LLVKDONJSA-N -1 1 319.434 2.827 20 0 DFADMM C[C@@H]1CCC[C@H](CCNC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820697373 606565308 /nfs/dbraw/zinc/56/53/08/606565308.db2.gz GIXLYJHPFJETQI-GHMZBOCLSA-N -1 1 319.434 2.874 20 0 DFADMM C[C@@H]1CCC[C@H](CCNC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820697373 606565311 /nfs/dbraw/zinc/56/53/11/606565311.db2.gz GIXLYJHPFJETQI-GHMZBOCLSA-N -1 1 319.434 2.874 20 0 DFADMM CC(C)[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820037792 606566156 /nfs/dbraw/zinc/56/61/56/606566156.db2.gz HXADBCDQPSJHQD-JTQLQIEISA-N -1 1 305.407 2.579 20 0 DFADMM CC(C)[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820037792 606566157 /nfs/dbraw/zinc/56/61/57/606566157.db2.gz HXADBCDQPSJHQD-JTQLQIEISA-N -1 1 305.407 2.579 20 0 DFADMM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820861807 606567367 /nfs/dbraw/zinc/56/73/67/606567367.db2.gz NWJGMOYYZYEEAZ-MNOVXSKESA-N -1 1 319.434 2.969 20 0 DFADMM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820861807 606567368 /nfs/dbraw/zinc/56/73/68/606567368.db2.gz NWJGMOYYZYEEAZ-MNOVXSKESA-N -1 1 319.434 2.969 20 0 DFADMM O=C(CCCC1CCCC1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822955483 606648326 /nfs/dbraw/zinc/64/83/26/606648326.db2.gz WWFDXTPLVBIPCG-UHFFFAOYSA-N -1 1 315.377 2.665 20 0 DFADMM O=C(CCCC1CCCC1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822955483 606648327 /nfs/dbraw/zinc/64/83/27/606648327.db2.gz WWFDXTPLVBIPCG-UHFFFAOYSA-N -1 1 315.377 2.665 20 0 DFADMM CCCC[C@H](CC)CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821040617 606649489 /nfs/dbraw/zinc/64/94/89/606649489.db2.gz NRVLSLQSQXBWTH-LBPRGKRZSA-N -1 1 317.393 2.911 20 0 DFADMM CCCC[C@H](CC)CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821040617 606649490 /nfs/dbraw/zinc/64/94/90/606649490.db2.gz NRVLSLQSQXBWTH-LBPRGKRZSA-N -1 1 317.393 2.911 20 0 DFADMM CCOc1cc(C)ccc1CNc1cccc(-c2nnn[n-]2)n1 ZINC000821393849 606800960 /nfs/dbraw/zinc/80/09/60/606800960.db2.gz DEVYHIGCSWWCFF-UHFFFAOYSA-N -1 1 310.361 2.581 20 0 DFADMM CCOc1cc(C)ccc1CNc1cccc(-c2nn[n-]n2)n1 ZINC000821393849 606800961 /nfs/dbraw/zinc/80/09/61/606800961.db2.gz DEVYHIGCSWWCFF-UHFFFAOYSA-N -1 1 310.361 2.581 20 0 DFADMM CC(C)CC1(CNC(=O)c2ccc(-c3nnn[n-]3)s2)CCC1 ZINC000820063198 606811945 /nfs/dbraw/zinc/81/19/45/606811945.db2.gz SXQZGVSQDNWHAL-UHFFFAOYSA-N -1 1 319.434 2.874 20 0 DFADMM CC(C)CC1(CNC(=O)c2ccc(-c3nn[n-]n3)s2)CCC1 ZINC000820063198 606811947 /nfs/dbraw/zinc/81/19/47/606811947.db2.gz SXQZGVSQDNWHAL-UHFFFAOYSA-N -1 1 319.434 2.874 20 0 DFADMM CCC[C@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000821040175 606875387 /nfs/dbraw/zinc/87/53/87/606875387.db2.gz JJTRCILJQXFVMI-LBPRGKRZSA-N -1 1 323.404 2.826 20 0 DFADMM CCC[C@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000821040175 606875388 /nfs/dbraw/zinc/87/53/88/606875388.db2.gz JJTRCILJQXFVMI-LBPRGKRZSA-N -1 1 323.404 2.826 20 0 DFADMM CCOc1ccccc1COc1cccc(F)c1-c1nnn[n-]1 ZINC000825654284 607865182 /nfs/dbraw/zinc/86/51/82/607865182.db2.gz VHZZJBRLCQIWLU-UHFFFAOYSA-N -1 1 314.320 2.984 20 0 DFADMM CCOc1ccccc1COc1cccc(F)c1-c1nn[n-]n1 ZINC000825654284 607865183 /nfs/dbraw/zinc/86/51/83/607865183.db2.gz VHZZJBRLCQIWLU-UHFFFAOYSA-N -1 1 314.320 2.984 20 0 DFADMM Fc1cc(F)c(F)c(Oc2cccc(-c3nnn[n-]3)n2)c1F ZINC000826372557 607895290 /nfs/dbraw/zinc/89/52/90/607895290.db2.gz BZGWSBLYMGELHU-UHFFFAOYSA-N -1 1 311.198 2.610 20 0 DFADMM Fc1cc(F)c(F)c(Oc2cccc(-c3nn[n-]n3)n2)c1F ZINC000826372557 607895291 /nfs/dbraw/zinc/89/52/91/607895291.db2.gz BZGWSBLYMGELHU-UHFFFAOYSA-N -1 1 311.198 2.610 20 0 DFADMM c1ccc2sc(CCNc3cccc(-c4nnn[n-]4)n3)nc2c1 ZINC000826517300 607895674 /nfs/dbraw/zinc/89/56/74/607895674.db2.gz YBEZRXZHKHBFQJ-UHFFFAOYSA-N -1 1 323.385 2.526 20 0 DFADMM c1ccc2sc(CCNc3cccc(-c4nn[n-]n4)n3)nc2c1 ZINC000826517300 607895675 /nfs/dbraw/zinc/89/56/75/607895675.db2.gz YBEZRXZHKHBFQJ-UHFFFAOYSA-N -1 1 323.385 2.526 20 0 DFADMM Cc1cccc(C)c1OC[C@@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000826296729 607897243 /nfs/dbraw/zinc/89/72/43/607897243.db2.gz HKXYBUNFQSSRPL-CYBMUJFWSA-N -1 1 324.388 2.758 20 0 DFADMM Cc1cccc(C)c1OC[C@@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000826296729 607897244 /nfs/dbraw/zinc/89/72/44/607897244.db2.gz HKXYBUNFQSSRPL-CYBMUJFWSA-N -1 1 324.388 2.758 20 0 DFADMM FC(F)Oc1ccccc1Oc1cccc(-c2nnn[n-]2)n1 ZINC000826370228 607899024 /nfs/dbraw/zinc/89/90/24/607899024.db2.gz JEVZRLILWYIJRQ-UHFFFAOYSA-N -1 1 305.244 2.655 20 0 DFADMM FC(F)Oc1ccccc1Oc1cccc(-c2nn[n-]n2)n1 ZINC000826370228 607899025 /nfs/dbraw/zinc/89/90/25/607899025.db2.gz JEVZRLILWYIJRQ-UHFFFAOYSA-N -1 1 305.244 2.655 20 0 DFADMM CC[C@H]1c2ccccc2CCN1c1cccc(-c2nnn[n-]2)n1 ZINC000825219889 607899908 /nfs/dbraw/zinc/89/99/08/607899908.db2.gz NMFHGPSTFZYEJT-HNNXBMFYSA-N -1 1 306.373 2.776 20 0 DFADMM CC[C@H]1c2ccccc2CCN1c1cccc(-c2nn[n-]n2)n1 ZINC000825219889 607899909 /nfs/dbraw/zinc/89/99/09/607899909.db2.gz NMFHGPSTFZYEJT-HNNXBMFYSA-N -1 1 306.373 2.776 20 0 DFADMM FC(F)COc1ccc(Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826369903 607901639 /nfs/dbraw/zinc/90/16/39/607901639.db2.gz VHHGUSJKKFDSLK-UHFFFAOYSA-N -1 1 318.287 2.649 20 0 DFADMM FC(F)COc1ccc(Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826369903 607901640 /nfs/dbraw/zinc/90/16/40/607901640.db2.gz VHHGUSJKKFDSLK-UHFFFAOYSA-N -1 1 318.287 2.649 20 0 DFADMM O=Cc1ccc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)c(F)c1 ZINC000826483894 607905506 /nfs/dbraw/zinc/90/55/06/607905506.db2.gz DVQDCWFJZJMTLD-UHFFFAOYSA-N -1 1 319.683 2.659 20 0 DFADMM O=Cc1ccc(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)c(F)c1 ZINC000826483894 607905507 /nfs/dbraw/zinc/90/55/07/607905507.db2.gz DVQDCWFJZJMTLD-UHFFFAOYSA-N -1 1 319.683 2.659 20 0 DFADMM CCOCCC(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000825589653 607929282 /nfs/dbraw/zinc/92/92/82/607929282.db2.gz IEHFAORFNQERLJ-UHFFFAOYSA-N -1 1 323.422 2.591 20 0 DFADMM CCOCCC(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000825589653 607929283 /nfs/dbraw/zinc/92/92/83/607929283.db2.gz IEHFAORFNQERLJ-UHFFFAOYSA-N -1 1 323.422 2.591 20 0 DFADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCC12CCC(CC1)C2 ZINC000826523839 607935265 /nfs/dbraw/zinc/93/52/65/607935265.db2.gz ZMVPPDLXTQNFSP-UHFFFAOYSA-N -1 1 321.388 2.802 20 0 DFADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCC12CCC(CC1)C2 ZINC000826523839 607935266 /nfs/dbraw/zinc/93/52/66/607935266.db2.gz ZMVPPDLXTQNFSP-UHFFFAOYSA-N -1 1 321.388 2.802 20 0 DFADMM c1cn(CCCOc2cccc3ccccc32)c(-c2nnn[n-]2)n1 ZINC000826523120 608147506 /nfs/dbraw/zinc/14/75/06/608147506.db2.gz BBAHIJMPJSKVQA-UHFFFAOYSA-N -1 1 320.356 2.686 20 0 DFADMM c1cn(CCCOc2cccc3ccccc32)c(-c2nn[n-]n2)n1 ZINC000826523120 608147507 /nfs/dbraw/zinc/14/75/07/608147507.db2.gz BBAHIJMPJSKVQA-UHFFFAOYSA-N -1 1 320.356 2.686 20 0 DFADMM CC(C)CCN(c1snc(Cl)c1-c1nnn[n-]1)C1CC1 ZINC000824249472 608173331 /nfs/dbraw/zinc/17/33/31/608173331.db2.gz OELLXSDOVJKWCB-UHFFFAOYSA-N -1 1 312.830 2.992 20 0 DFADMM CC(C)CCN(c1snc(Cl)c1-c1nn[n-]n1)C1CC1 ZINC000824249472 608173332 /nfs/dbraw/zinc/17/33/32/608173332.db2.gz OELLXSDOVJKWCB-UHFFFAOYSA-N -1 1 312.830 2.992 20 0 DFADMM C[C@@H]1CCCC[C@H]1N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC000824939974 608173477 /nfs/dbraw/zinc/17/34/77/608173477.db2.gz YOXDSCVOBUQLKU-HTQZYQBOSA-N -1 1 312.830 2.992 20 0 DFADMM C[C@@H]1CCCC[C@H]1N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC000824939974 608173479 /nfs/dbraw/zinc/17/34/79/608173479.db2.gz YOXDSCVOBUQLKU-HTQZYQBOSA-N -1 1 312.830 2.992 20 0 DFADMM C[C@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC12CCC2 ZINC000824961605 608195976 /nfs/dbraw/zinc/19/59/76/608195976.db2.gz DSIYTPLBYRSUMR-JTQLQIEISA-N -1 1 318.812 2.932 20 0 DFADMM C[C@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC12CCC2 ZINC000824961605 608195977 /nfs/dbraw/zinc/19/59/77/608195977.db2.gz DSIYTPLBYRSUMR-JTQLQIEISA-N -1 1 318.812 2.932 20 0 DFADMM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C[C@H]1C ZINC000824962354 608303130 /nfs/dbraw/zinc/30/31/30/608303130.db2.gz TYTOONFDUPJECB-VXGBXAGGSA-N -1 1 308.389 2.897 20 0 DFADMM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C[C@H]1C ZINC000824962354 608303132 /nfs/dbraw/zinc/30/31/32/608303132.db2.gz TYTOONFDUPJECB-VXGBXAGGSA-N -1 1 308.389 2.897 20 0 DFADMM CC(C)c1ccc([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000824348120 608392648 /nfs/dbraw/zinc/39/26/48/608392648.db2.gz ZZKYHUKBPZYBOG-NSHDSACASA-N -1 1 309.377 2.953 20 0 DFADMM CC(C)c1ccc([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000824348120 608392652 /nfs/dbraw/zinc/39/26/52/608392652.db2.gz ZZKYHUKBPZYBOG-NSHDSACASA-N -1 1 309.377 2.953 20 0 DFADMM C[C@@H](c1cccc(Cl)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824771657 608401415 /nfs/dbraw/zinc/40/14/15/608401415.db2.gz RYXRJMMQUWYIFE-VIFPVBQESA-N -1 1 315.768 2.508 20 0 DFADMM C[C@@H](c1cccc(Cl)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824771657 608401416 /nfs/dbraw/zinc/40/14/16/608401416.db2.gz RYXRJMMQUWYIFE-VIFPVBQESA-N -1 1 315.768 2.508 20 0 DFADMM CC[C@@H](C)Oc1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000825074622 608403086 /nfs/dbraw/zinc/40/30/86/608403086.db2.gz IKTNWCJZCVMTIB-SNVBAGLBSA-N -1 1 311.349 2.578 20 0 DFADMM CC[C@@H](C)Oc1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000825074622 608403088 /nfs/dbraw/zinc/40/30/88/608403088.db2.gz IKTNWCJZCVMTIB-SNVBAGLBSA-N -1 1 311.349 2.578 20 0 DFADMM C[C@@H](Sc1ccc(-c2nnn[n-]2)nn1)c1ccc(F)cc1 ZINC000824756835 608406831 /nfs/dbraw/zinc/40/68/31/608406831.db2.gz QBOQBNMGUZPRPV-MRVPVSSYSA-N -1 1 302.338 2.649 20 0 DFADMM C[C@@H](Sc1ccc(-c2nn[n-]n2)nn1)c1ccc(F)cc1 ZINC000824756835 608406833 /nfs/dbraw/zinc/40/68/33/608406833.db2.gz QBOQBNMGUZPRPV-MRVPVSSYSA-N -1 1 302.338 2.649 20 0 DFADMM CO[C@@H]1CCC[C@H]1CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000826146305 608417071 /nfs/dbraw/zinc/41/70/71/608417071.db2.gz SXTXAVPLOYCHKZ-MEDUHNTESA-N -1 1 324.388 2.642 20 0 DFADMM CO[C@@H]1CCC[C@H]1CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000826146305 608417072 /nfs/dbraw/zinc/41/70/72/608417072.db2.gz SXTXAVPLOYCHKZ-MEDUHNTESA-N -1 1 324.388 2.642 20 0 DFADMM Cc1ccccc1[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC000826306152 608418138 /nfs/dbraw/zinc/41/81/38/608418138.db2.gz RKOXIOQUVRAUPI-OAHLLOKOSA-N -1 1 307.361 2.528 20 0 DFADMM Cc1ccccc1[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC000826306152 608418140 /nfs/dbraw/zinc/41/81/40/608418140.db2.gz RKOXIOQUVRAUPI-OAHLLOKOSA-N -1 1 307.361 2.528 20 0 DFADMM Cc1c(NCc2ccc(-c3nn[n-]n3)s2)cnn1CC(C)C ZINC000826242235 608428401 /nfs/dbraw/zinc/42/84/01/608428401.db2.gz GKQGPHPYVDBTSJ-UHFFFAOYSA-N -1 1 317.422 2.701 20 0 DFADMM CC(C)c1ccc(C[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000824457586 608440227 /nfs/dbraw/zinc/44/02/27/608440227.db2.gz QKFOVFVSCFXUPC-GFCCVEGCSA-N -1 1 323.404 2.823 20 0 DFADMM CC(C)c1ccc(C[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000824457586 608440229 /nfs/dbraw/zinc/44/02/29/608440229.db2.gz QKFOVFVSCFXUPC-GFCCVEGCSA-N -1 1 323.404 2.823 20 0 DFADMM CCCOc1ccc(NCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000825341879 608542416 /nfs/dbraw/zinc/54/24/16/608542416.db2.gz MAVMNUREYFGOQP-UHFFFAOYSA-N -1 1 310.361 2.663 20 0 DFADMM CCCOc1ccc(NCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000825341879 608542417 /nfs/dbraw/zinc/54/24/17/608542417.db2.gz MAVMNUREYFGOQP-UHFFFAOYSA-N -1 1 310.361 2.663 20 0 DFADMM Cc1ccc(-c2nn[n-]n2)nc1NCc1cccc2cccnc21 ZINC000826280486 608544128 /nfs/dbraw/zinc/54/41/28/608544128.db2.gz DBDIYCNVVUBFAS-UHFFFAOYSA-N -1 1 317.356 2.730 20 0 DFADMM c1cc(-c2nn[n-]n2)sc1CN1CC2(CC2)c2ccccc21 ZINC000826523782 609174387 /nfs/dbraw/zinc/17/43/87/609174387.db2.gz XTLORFFUHCJBJS-UHFFFAOYSA-N -1 1 309.398 2.980 20 0 DFADMM CN(Cc1ccc(-c2nnn[n-]2)o1)Cc1cc(F)c(F)c(F)c1 ZINC000825953321 609261305 /nfs/dbraw/zinc/26/13/05/609261305.db2.gz FBTIICALRONQII-UHFFFAOYSA-N -1 1 323.278 2.509 20 0 DFADMM CC1(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCCCCC1 ZINC000824783264 609296691 /nfs/dbraw/zinc/29/66/91/609296691.db2.gz FDOAIFSHGRHGQW-UHFFFAOYSA-N -1 1 315.377 2.871 20 0 DFADMM Fc1cccc(OCc2ccc(Cl)cn2)c1-c1nnn[n-]1 ZINC000826377991 609313411 /nfs/dbraw/zinc/31/34/11/609313411.db2.gz PYTMKWBCMUHOKJ-UHFFFAOYSA-N -1 1 305.700 2.633 20 0 DFADMM Fc1cccc(OCc2ccc(Cl)cn2)c1-c1nn[n-]n1 ZINC000826377991 609313413 /nfs/dbraw/zinc/31/34/13/609313413.db2.gz PYTMKWBCMUHOKJ-UHFFFAOYSA-N -1 1 305.700 2.633 20 0 DFADMM C[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1cncc(F)c1 ZINC000824655537 609386811 /nfs/dbraw/zinc/38/68/11/609386811.db2.gz DGQWZNNWLBYRRM-ZETCQYMHSA-N -1 1 319.731 2.622 20 0 DFADMM C[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1cncc(F)c1 ZINC000824655537 609386812 /nfs/dbraw/zinc/38/68/12/609386812.db2.gz DGQWZNNWLBYRRM-ZETCQYMHSA-N -1 1 319.731 2.622 20 0 DFADMM C(=C\[C@@H]1CCCN1c1cccc(-c2nnn[n-]2)n1)\c1ccccc1 ZINC000823861999 609578589 /nfs/dbraw/zinc/57/85/89/609578589.db2.gz WPLXOQJOXGKTDJ-SSCKCOOKSA-N -1 1 318.384 2.944 20 0 DFADMM C(=C\[C@@H]1CCCN1c1cccc(-c2nn[n-]n2)n1)\c1ccccc1 ZINC000823861999 609578591 /nfs/dbraw/zinc/57/85/91/609578591.db2.gz WPLXOQJOXGKTDJ-SSCKCOOKSA-N -1 1 318.384 2.944 20 0 DFADMM Cc1nn(C)c(C)c1CCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000278244502 214044607 /nfs/dbraw/zinc/04/46/07/214044607.db2.gz SQXAIMNJPZRRPG-UHFFFAOYSA-N -1 1 316.336 2.717 20 0 DFADMM O=C(NCc1ccc2c(n1)CCCC2)c1c([O-])cccc1F ZINC000278310550 214083542 /nfs/dbraw/zinc/08/35/42/214083542.db2.gz COSPAVJNMRMLMA-UHFFFAOYSA-N -1 1 300.333 2.735 20 0 DFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC1C[C@@H](C)C[C@H](C)C1 ZINC000081812656 192328348 /nfs/dbraw/zinc/32/83/48/192328348.db2.gz ITBCBWUXCNBGAB-QWRGUYRKSA-N -1 1 319.449 2.930 20 0 DFADMM Cc1ccc(CS(=O)(=O)[N-]c2cc(C3CC3)[nH]n2)c(F)c1 ZINC000278486070 214184477 /nfs/dbraw/zinc/18/44/77/214184477.db2.gz KMXJOVHBHDRICX-UHFFFAOYSA-N -1 1 309.366 2.677 20 0 DFADMM CO[C@@H](C)c1nc(CS(=O)(=O)c2ccc([O-])cc2)cs1 ZINC000083025747 185211540 /nfs/dbraw/zinc/21/15/40/185211540.db2.gz CUPCOFAWUNBBKJ-VIFPVBQESA-N -1 1 313.400 2.530 20 0 DFADMM CCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000007057468 398358028 /nfs/dbraw/zinc/35/80/28/398358028.db2.gz XWHNECVOQJRQNP-UHFFFAOYSA-N -1 1 319.382 2.821 20 0 DFADMM O=S(=O)([N-]CCC1CC1)c1sccc1Br ZINC000088463243 185251632 /nfs/dbraw/zinc/25/16/32/185251632.db2.gz HHLJWBAJCIDUND-UHFFFAOYSA-N -1 1 310.238 2.589 20 0 DFADMM Cc1ccccc1CC[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000008500464 398373195 /nfs/dbraw/zinc/37/31/95/398373195.db2.gz AVLZZJKLPJADOL-UHFFFAOYSA-N -1 1 311.353 2.794 20 0 DFADMM C[C@@H](OC[C@H]1CCCO1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000278212827 214026916 /nfs/dbraw/zinc/02/69/16/214026916.db2.gz QHVWFAMWQCSVSO-MWLCHTKSSA-N -1 1 308.309 2.838 20 0 DFADMM COc1ccc([O-])c(C(=O)c2cnn(-c3ccc(F)cc3)c2)c1 ZINC000014242692 398389635 /nfs/dbraw/zinc/38/96/35/398389635.db2.gz AGPUQYBNWSYURD-UHFFFAOYSA-N -1 1 312.300 2.957 20 0 DFADMM CCn1c(CNC(=O)c2ccc3c(c2)CCCC3)n[n-]c1=S ZINC000066636403 398389686 /nfs/dbraw/zinc/38/96/86/398389686.db2.gz VURFALPISVAZHN-UHFFFAOYSA-N -1 1 316.430 2.769 20 0 DFADMM CCn1c(CNC(=O)c2cc3cc(C)ccc3o2)n[n-]c1=S ZINC000066637003 398389765 /nfs/dbraw/zinc/38/97/65/398389765.db2.gz JZXKERFUGUQYDQ-UHFFFAOYSA-N -1 1 316.386 2.945 20 0 DFADMM Cc1n[n-]c(=S)n1CCNC(=O)Nc1ccc(C)cc1C ZINC000084293419 398397464 /nfs/dbraw/zinc/39/74/64/398397464.db2.gz FCLQWSMICZXIPB-UHFFFAOYSA-N -1 1 305.407 2.688 20 0 DFADMM C[C@H](NCc1cc(=O)[nH]c(C2CC2)n1)c1ccc2c(c1)OCO2 ZINC000459410374 299099328 /nfs/dbraw/zinc/09/93/28/299099328.db2.gz AWCXDRYDAOAZHE-JTQLQIEISA-N -1 1 313.357 2.639 20 0 DFADMM CC(C)c1noc(CCc2nc(-c3ccc([O-])cc3F)no2)n1 ZINC000278184050 214009767 /nfs/dbraw/zinc/00/97/67/214009767.db2.gz OMCDYGXYHRZHRC-UHFFFAOYSA-N -1 1 318.308 2.873 20 0 DFADMM O=C(CSc1nnc(-c2ccncc2)o1)c1ccc([O-])cc1 ZINC000021244509 398412328 /nfs/dbraw/zinc/41/23/28/398412328.db2.gz QMYISSHSCODWGT-UHFFFAOYSA-N -1 1 313.338 2.812 20 0 DFADMM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1csc(Br)c1 ZINC000086257355 398419865 /nfs/dbraw/zinc/41/98/65/398419865.db2.gz JZAVFFFTBWDZGY-APPZFPTMSA-N -1 1 304.209 2.806 20 0 DFADMM CC(C)(C)n1cc(CN[C@H](C(=O)[O-])c2ccccc2F)cn1 ZINC000354358893 534956840 /nfs/dbraw/zinc/95/68/40/534956840.db2.gz WRANOEJISQFJJP-AWEZNQCLSA-N -1 1 305.353 2.693 20 0 DFADMM O=C([N-]c1nnc(C2CC2)s1)c1cnc([C@H]2CCCO2)s1 ZINC000089660571 398463076 /nfs/dbraw/zinc/46/30/76/398463076.db2.gz ZYGJWKLYFATIFU-MRVPVSSYSA-N -1 1 322.415 2.976 20 0 DFADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cccc(C)c2)ccc1F ZINC000042676997 282373725 /nfs/dbraw/zinc/37/37/25/282373725.db2.gz KEHXIYSZSYWODJ-UHFFFAOYSA-N -1 1 322.361 2.893 20 0 DFADMM CCOC(=O)c1cc(CN2CCC(CCC(=O)[O-])CC2)[nH]c1C ZINC000596658133 398473810 /nfs/dbraw/zinc/47/38/10/398473810.db2.gz YFBFTLWYJXFWRN-UHFFFAOYSA-N -1 1 322.405 2.577 20 0 DFADMM O=C(NCc1nc2ccccc2[nH]1)c1ccc(Cl)cc1[O-] ZINC000048930961 282386904 /nfs/dbraw/zinc/38/69/04/282386904.db2.gz MUANYRWLFVLIFO-UHFFFAOYSA-N -1 1 301.733 2.852 20 0 DFADMM Cc1cc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)no1 ZINC000049051561 282388111 /nfs/dbraw/zinc/38/81/11/282388111.db2.gz ALKNXZINUQPSOF-UHFFFAOYSA-N -1 1 321.185 2.768 20 0 DFADMM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1c(F)cc(OC)cc1F ZINC000588680500 398503488 /nfs/dbraw/zinc/50/34/88/398503488.db2.gz VHEMEHWQQDPPKA-BDAKNGLRSA-N -1 1 307.362 2.686 20 0 DFADMM CCC[C@H](CC)[N-]S(=O)(=O)c1c(F)cc(OC)cc1F ZINC000588683788 398503750 /nfs/dbraw/zinc/50/37/50/398503750.db2.gz YFFVJCINSXURGP-VIFPVBQESA-N -1 1 307.362 2.830 20 0 DFADMM O=C(NCCC(F)(F)F)c1ccc(Br)cc1[O-] ZINC000063101322 282452278 /nfs/dbraw/zinc/45/22/78/282452278.db2.gz UXXAOZBCQJARMI-UHFFFAOYSA-N -1 1 312.085 2.837 20 0 DFADMM CC1(C)[C@H](C(F)(F)F)CCN1Cc1ccc(C(=O)[O-])cn1 ZINC000313969603 398517641 /nfs/dbraw/zinc/51/76/41/398517641.db2.gz DGCODMHFICJDMZ-LLVKDONJSA-N -1 1 302.296 2.943 20 0 DFADMM CN(Cc1cnn(C)c1)Cc1c2ccccc2sc1C(=O)[O-] ZINC000314744858 398521023 /nfs/dbraw/zinc/52/10/23/398521023.db2.gz CSVQQEMXLNKIHZ-UHFFFAOYSA-N -1 1 315.398 2.965 20 0 DFADMM CO[C@@H](C)C(=O)Nc1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000068428206 282489000 /nfs/dbraw/zinc/48/90/00/282489000.db2.gz RWAJWGPJZQQTPY-NSHDSACASA-N -1 1 314.341 2.618 20 0 DFADMM Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000681060031 545591218 /nfs/dbraw/zinc/59/12/18/545591218.db2.gz RMMSEXJTCJGJMP-ZDUSSCGKSA-N -1 1 303.337 2.849 20 0 DFADMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2C)c1C ZINC000315689667 398527323 /nfs/dbraw/zinc/52/73/23/398527323.db2.gz CNCFBJDFSGSNOS-UHFFFAOYSA-N -1 1 319.382 2.891 20 0 DFADMM O=S(=O)([N-]C[C@@H]1CCCO1)c1cc(Cl)sc1Cl ZINC000032548465 398533153 /nfs/dbraw/zinc/53/31/53/398533153.db2.gz VARIUVZENGNODK-LURJTMIESA-N -1 1 316.231 2.512 20 0 DFADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3c(C)n[nH]c3c2)c1 ZINC000091827438 398547131 /nfs/dbraw/zinc/54/71/31/398547131.db2.gz UEJPEGNIARBGNM-UHFFFAOYSA-N -1 1 324.340 2.788 20 0 DFADMM COc1ccc([N+](=O)[O-])cc1CN1CCC(CCC(=O)[O-])CC1 ZINC000320683865 398548702 /nfs/dbraw/zinc/54/87/02/398548702.db2.gz VJMIZRFVVNBXOP-UHFFFAOYSA-N -1 1 322.361 2.680 20 0 DFADMM COc1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2C)c1 ZINC000589436345 398552003 /nfs/dbraw/zinc/55/20/03/398552003.db2.gz FJNVIHJCMNSLKD-UHFFFAOYSA-N -1 1 307.371 2.813 20 0 DFADMM O=C(NC1(c2ccc3c(c2)OCO3)CC1)c1ccc([O-])c(F)c1 ZINC000681058542 545591350 /nfs/dbraw/zinc/59/13/50/545591350.db2.gz RCUWEAFGLGVOFW-UHFFFAOYSA-N -1 1 315.300 2.679 20 0 DFADMM CC(C)(C)OC(=O)c1cccc(C(=O)Nc2ccncc2[O-])c1 ZINC000092121444 398559859 /nfs/dbraw/zinc/55/98/59/398559859.db2.gz TXPXVUOOSCRCHP-UHFFFAOYSA-N -1 1 314.341 2.995 20 0 DFADMM O=C(Nc1ccc(N2CCOC2=O)cc1)c1cc(F)ccc1[O-] ZINC000080003854 282616494 /nfs/dbraw/zinc/61/64/94/282616494.db2.gz QPCMLDIBSUGEBM-UHFFFAOYSA-N -1 1 316.288 2.740 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1cccc(Cl)c1 ZINC000080468120 192159654 /nfs/dbraw/zinc/15/96/54/192159654.db2.gz SVXUAOXICBDVJG-UHFFFAOYSA-N -1 1 323.805 2.796 20 0 DFADMM O=S(=O)(Cc1cccc(C(F)F)c1)c1n[n-]c(C2CC2)n1 ZINC000279927482 215244087 /nfs/dbraw/zinc/24/40/87/215244087.db2.gz FWJSQYLONTZNKN-UHFFFAOYSA-N -1 1 313.329 2.594 20 0 DFADMM CN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(F)ccc1[O-] ZINC000081930670 282641426 /nfs/dbraw/zinc/64/14/26/282641426.db2.gz CGHCLHYCVVXSDX-UHFFFAOYSA-N -1 1 303.289 2.532 20 0 DFADMM O=C([O-])C[C@@H]1CCCN1Cc1csc(Br)c1 ZINC000042162885 398585643 /nfs/dbraw/zinc/58/56/43/398585643.db2.gz KQIQJLZYJJKQGC-VIFPVBQESA-N -1 1 304.209 2.950 20 0 DFADMM CCc1ccc([C@@H](CO)NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000092676839 398593182 /nfs/dbraw/zinc/59/31/82/398593182.db2.gz SJZJRLLXOPBVJI-OAHLLOKOSA-N -1 1 303.333 2.557 20 0 DFADMM COc1cc(F)c(S(=O)(=O)[N-]C(C)(C)C(C)C)c(F)c1 ZINC000590300852 398611281 /nfs/dbraw/zinc/61/12/81/398611281.db2.gz BVVCULUAJKZWTN-UHFFFAOYSA-N -1 1 307.362 2.686 20 0 DFADMM O=C(c1cncc([O-])c1)N(CCC(F)(F)F)CC(F)(F)F ZINC000287146271 219341338 /nfs/dbraw/zinc/34/13/38/219341338.db2.gz QWASXVALVRFBMC-UHFFFAOYSA-N -1 1 316.201 2.744 20 0 DFADMM Cc1cc(CC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)[nH]n1 ZINC000155783764 186112567 /nfs/dbraw/zinc/11/25/67/186112567.db2.gz HSWLEDUIOMIEJR-UHFFFAOYSA-N -1 1 313.279 2.527 20 0 DFADMM Cc1cc(C[C@@H](C)NC(=O)c2ccc3[n-]c(=S)oc3c2)n[nH]1 ZINC000155808029 186114372 /nfs/dbraw/zinc/11/43/72/186114372.db2.gz QYPWZJHYECRNFI-MRVPVSSYSA-N -1 1 316.386 2.509 20 0 DFADMM O=S(=O)(C[C@@H]1CCCO1)[N-]c1cc(Cl)cc(Cl)c1 ZINC000171802795 197987509 /nfs/dbraw/zinc/98/75/09/197987509.db2.gz XNZMXVOQYZHTOD-NSHDSACASA-N -1 1 310.202 2.914 20 0 DFADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)CCC2CC2)c(F)c1 ZINC000681094228 545596000 /nfs/dbraw/zinc/59/60/00/545596000.db2.gz KLQULHRHKRRYAZ-VIFPVBQESA-N -1 1 319.373 2.830 20 0 DFADMM Cc1cnc(C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)c([O-])c1 ZINC000331854254 234198255 /nfs/dbraw/zinc/19/82/55/234198255.db2.gz RUNBVKLNHKETLG-LLVKDONJSA-N -1 1 316.361 2.579 20 0 DFADMM COCc1ccc([C@@H]2CCCN2C(=O)c2ncc(C)cc2[O-])o1 ZINC000331854252 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425866905 /nfs/dbraw/zinc/86/69/05/425866905.db2.gz PLIJUHZVPRVQLN-UHFFFAOYSA-N -1 1 315.358 2.793 20 0 DFADMM COc1ccc(C(=O)N2CCc3c2cc(F)cc3F)c([O-])c1 ZINC000192598728 268041712 /nfs/dbraw/zinc/04/17/12/268041712.db2.gz CJQCSBOLNONHLX-UHFFFAOYSA-N -1 1 305.280 2.882 20 0 DFADMM C[C@@H]1C[C@H]1CNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000047097122 425868211 /nfs/dbraw/zinc/86/82/11/425868211.db2.gz RKWASPMKPQMAQL-DOMZBBRYSA-N -1 1 316.401 2.653 20 0 DFADMM CCC[C@@H](N[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O)C(=O)[O-] ZINC000263574613 268170847 /nfs/dbraw/zinc/17/08/47/268170847.db2.gz NTDHNKANPKMIQT-LSDHHAIUSA-N -1 1 318.417 2.560 20 0 DFADMM CCC[C@H](N[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O)C(=O)[O-] ZINC000263574610 268170850 /nfs/dbraw/zinc/17/08/50/268170850.db2.gz NTDHNKANPKMIQT-CABCVRRESA-N -1 1 318.417 2.560 20 0 DFADMM CCOC(=O)C(C)(C)O[N-]C(=O)CC[C@@H](C)c1ccccc1 ZINC000295540422 268293605 /nfs/dbraw/zinc/29/36/05/268293605.db2.gz KPCVVBDDVLUFGQ-CYBMUJFWSA-N -1 1 307.390 2.960 20 0 DFADMM Cc1cccc(C)c1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000316807653 268345142 /nfs/dbraw/zinc/34/51/42/268345142.db2.gz ZIMQUHYLLZTKDE-UHFFFAOYSA-N -1 1 323.345 2.942 20 0 DFADMM COc1ccc(Cc2noc(-c3ccc([O-])cc3F)n2)cn1 ZINC000318441427 268345689 /nfs/dbraw/zinc/34/56/89/268345689.db2.gz SCWREPOQRPCVDV-UHFFFAOYSA-N -1 1 301.277 2.576 20 0 DFADMM Cc1nc(SCC(=O)N(C)[C@H](C)CC(C)C)[n-]c(=O)c1C ZINC000330673810 268354318 /nfs/dbraw/zinc/35/43/18/268354318.db2.gz HRVXXOIZKYYYON-SNVBAGLBSA-N -1 1 311.451 2.784 20 0 DFADMM COCc1nc(C(=O)[N-]c2nnc(C(C)(C)C)s2)cs1 ZINC000049159280 425878736 /nfs/dbraw/zinc/87/87/36/425878736.db2.gz ZVYBEIKVAGMKLS-UHFFFAOYSA-N -1 1 312.420 2.691 20 0 DFADMM CCC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000071835838 425993167 /nfs/dbraw/zinc/99/31/67/425993167.db2.gz ZFARUJDTJNWXRV-UHFFFAOYSA-N -1 1 322.361 2.975 20 0 DFADMM Cc1nc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)n[nH]1 ZINC000103258201 425940241 /nfs/dbraw/zinc/94/02/41/425940241.db2.gz YEXLIEIRGGSJRW-UHFFFAOYSA-N -1 1 303.709 2.674 20 0 DFADMM CC(C)COC[C@@H](NC(=O)c1ncccc1[O-])c1ccco1 ZINC000124911861 425944426 /nfs/dbraw/zinc/94/44/26/425944426.db2.gz QSAZYYPXYJZLHH-GFCCVEGCSA-N -1 1 304.346 2.524 20 0 DFADMM Cc1ccccc1CCC(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000103431750 425946157 /nfs/dbraw/zinc/94/61/57/425946157.db2.gz OJWKAEXPCZZTSI-UHFFFAOYSA-N -1 1 307.357 2.746 20 0 DFADMM O=C(NCc1ccccc1OC(F)(F)F)c1cncc([O-])c1 ZINC000109042892 426026556 /nfs/dbraw/zinc/02/65/56/426026556.db2.gz QQIGQGMKRPGFKS-UHFFFAOYSA-N -1 1 312.247 2.616 20 0 DFADMM Cn1cccc1[C@H]1CCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000074113530 426040513 /nfs/dbraw/zinc/04/05/13/426040513.db2.gz XHVRIYPQTFQRSR-OAHLLOKOSA-N -1 1 322.368 2.651 20 0 DFADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cn(-c2ccccc2)nn1 ZINC000111666152 426054913 /nfs/dbraw/zinc/05/49/13/426054913.db2.gz JWXISFYBHPECIS-UHFFFAOYSA-N -1 1 314.732 2.879 20 0 DFADMM CC(C)C(=O)N1CCC(C(=O)Nc2ccc([O-])c(Cl)c2)CC1 ZINC000111666215 426054949 /nfs/dbraw/zinc/05/49/49/426054949.db2.gz 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COc1cc(C(=O)N[C@H](C)C[C@@H]2CCCO2)cc(Cl)c1[O-] ZINC000135042327 426204011 /nfs/dbraw/zinc/20/40/11/426204011.db2.gz FSKXOSDECRUJEC-KOLCDFICSA-N -1 1 313.781 2.742 20 0 DFADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000135906228 426230922 /nfs/dbraw/zinc/23/09/22/426230922.db2.gz JJODBFKDKFULSE-JTQLQIEISA-N -1 1 322.792 2.775 20 0 DFADMM COc1ccc(C(=O)N2C[C@H](C)Oc3cc(F)ccc32)c([O-])c1 ZINC000173522303 426242620 /nfs/dbraw/zinc/24/26/20/426242620.db2.gz VTOGCOYLWZUZEK-JTQLQIEISA-N -1 1 317.316 2.968 20 0 DFADMM CCCc1cc(C(=O)N[C@H](CCC)c2nn[n-]n2)sc1C ZINC000136727133 426245226 /nfs/dbraw/zinc/24/52/26/426245226.db2.gz VWRYPVREOHLJMV-LLVKDONJSA-N -1 1 307.423 2.793 20 0 DFADMM O=S(=O)(Cc1ccccc1Oc1ccccc1)c1ncn[n-]1 ZINC000086169691 426255900 /nfs/dbraw/zinc/25/59/00/426255900.db2.gz MDNNGDRONNTWSG-UHFFFAOYSA-N -1 1 315.354 2.571 20 0 DFADMM O=S(=O)(Cc1ccccc1Oc1ccccc1)c1nc[n-]n1 ZINC000086169691 426255903 /nfs/dbraw/zinc/25/59/03/426255903.db2.gz MDNNGDRONNTWSG-UHFFFAOYSA-N -1 1 315.354 2.571 20 0 DFADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)cc1 ZINC000174646516 426262132 /nfs/dbraw/zinc/26/21/32/426262132.db2.gz CRLIYLRMUMIKAV-UHFFFAOYSA-N -1 1 322.361 2.893 20 0 DFADMM CCn1c(=S)[n-]nc1[C@H]1CCCN(C(=O)C=C2CCC2)C1 ZINC000087315813 426270221 /nfs/dbraw/zinc/27/02/21/426270221.db2.gz GKUQVNRRITUXDE-LBPRGKRZSA-N -1 1 306.435 2.777 20 0 DFADMM CCC[C@H]1CN(C(=O)c2cc(Cl)c([O-])c(OC)c2)CCO1 ZINC000135221646 426209862 /nfs/dbraw/zinc/20/98/62/426209862.db2.gz SZMICCVBMOBNTH-NSHDSACASA-N -1 1 313.781 2.695 20 0 DFADMM CN(Cc1nnc[nH]1)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000175247283 426291513 /nfs/dbraw/zinc/29/15/13/426291513.db2.gz WNGUGJOCFIUARM-UHFFFAOYSA-N -1 1 316.748 2.589 20 0 DFADMM COc1ccc(OC)c(CCNC(=O)c2c([O-])cccc2F)c1 ZINC000120595151 426312183 /nfs/dbraw/zinc/31/21/83/426312183.db2.gz MHFGCZPJGXBHIW-UHFFFAOYSA-N -1 1 319.332 2.521 20 0 DFADMM NC(=O)c1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000121147342 426321949 /nfs/dbraw/zinc/32/19/49/426321949.db2.gz 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/nfs/dbraw/zinc/34/37/26/426343726.db2.gz LRCDHKNIBNKUER-ZDUSSCGKSA-N -1 1 307.321 2.804 20 0 DFADMM O=C(Nc1cnn(-c2ccccc2F)c1)c1ccc(O)cc1[O-] ZINC000121487197 426346241 /nfs/dbraw/zinc/34/62/41/426346241.db2.gz UYTNMILUWORERP-UHFFFAOYSA-N -1 1 313.288 2.675 20 0 DFADMM CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc2ccccc2c1[O-] ZINC000121522085 426349015 /nfs/dbraw/zinc/34/90/15/426349015.db2.gz BKHSGVOWQVDAJN-NEPJUHHUSA-N -1 1 314.385 2.578 20 0 DFADMM O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cccc2[nH]ccc21 ZINC000176095073 426351241 /nfs/dbraw/zinc/35/12/41/426351241.db2.gz LKNPMFNJQBVQAN-UHFFFAOYSA-N -1 1 304.313 2.600 20 0 DFADMM CC(=O)Nc1ccc([O-])c(C(=O)N2c3ccccc3C[C@@H]2C)c1 ZINC000121731476 426352741 /nfs/dbraw/zinc/35/27/41/426352741.db2.gz PKLJHOIJJSABAO-NSHDSACASA-N -1 1 310.353 2.942 20 0 DFADMM O=C(N[C@H](CO)Cc1ccccc1)c1cc2ccccc2cc1[O-] ZINC000093244244 426355231 /nfs/dbraw/zinc/35/52/31/426355231.db2.gz HKVGPCVHTRWULH-KRWDZBQOSA-N -1 1 321.376 2.879 20 0 DFADMM 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CCCc1ccc(NS(=O)(=O)c2ccoc2)c(C(=O)[O-])c1 ZINC000349082644 428917165 /nfs/dbraw/zinc/91/71/65/428917165.db2.gz KIPUCFCNDMYFPO-UHFFFAOYSA-N -1 1 309.343 2.731 20 0 DFADMM O=C(C[C@H](Cc1ccccc1)c1ccccc1)Nc1nnn[n-]1 ZINC000359379909 428947145 /nfs/dbraw/zinc/94/71/45/428947145.db2.gz CNYAMWWREHWFDM-HNNXBMFYSA-N -1 1 307.357 2.555 20 0 DFADMM O=C(C[C@H](Cc1ccccc1)c1ccccc1)Nc1nn[n-]n1 ZINC000359379909 428947151 /nfs/dbraw/zinc/94/71/51/428947151.db2.gz CNYAMWWREHWFDM-HNNXBMFYSA-N -1 1 307.357 2.555 20 0 DFADMM C[C@H]1CN(C(=O)c2c([O-])cnc3ccccc32)C[C@H](C2CC2)O1 ZINC000375929623 429018269 /nfs/dbraw/zinc/01/82/69/429018269.db2.gz WXUKZOFNCXQEFR-MEDUHNTESA-N -1 1 312.369 2.580 20 0 DFADMM Cc1n[nH]cc1C1CCN(C(=O)c2ccc([O-])cc2F)CC1 ZINC000375936941 429022212 /nfs/dbraw/zinc/02/22/12/429022212.db2.gz BYCYUIGRDFAQAY-UHFFFAOYSA-N -1 1 303.337 2.583 20 0 DFADMM O=C(N[C@@H](c1ccncc1)c1ccc(F)cc1)c1ncccc1[O-] ZINC000363770222 428988315 /nfs/dbraw/zinc/98/83/15/428988315.db2.gz 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O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H](n2ccnn2)C1 ZINC000425027618 429221345 /nfs/dbraw/zinc/22/13/45/429221345.db2.gz XNHJEMKGZUYFJE-OAHLLOKOSA-N -1 1 322.368 2.614 20 0 DFADMM CCCCOc1ccc(C(=O)Nc2n[nH]c(CC)c2C)c([O-])c1 ZINC000436992886 429203381 /nfs/dbraw/zinc/20/33/81/429203381.db2.gz XJCANLUSPXSBNN-UHFFFAOYSA-N -1 1 317.389 3.417 20 0 DFADMM Cc1cc(F)c(S(=O)(=O)[N-]CCCOCC(C)C)c(F)c1 ZINC000425141660 429237590 /nfs/dbraw/zinc/23/75/90/429237590.db2.gz JRVGFCPRJZWFON-UHFFFAOYSA-N -1 1 321.389 2.614 20 0 DFADMM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)[C@@H]2CCCCO2)c(F)c1 ZINC000425173708 429242396 /nfs/dbraw/zinc/24/23/96/429242396.db2.gz XJCDFTHQTWSCMW-MFKMUULPSA-N -1 1 319.373 2.509 20 0 DFADMM COc1cc(C(=O)N2CCSC[C@@H](C)C2)cc(Cl)c1[O-] ZINC000490194959 429280695 /nfs/dbraw/zinc/28/06/95/429280695.db2.gz QCVXHZRJEHNMQQ-VIFPVBQESA-N -1 1 315.822 2.879 20 0 DFADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000456372720 429289922 /nfs/dbraw/zinc/28/99/22/429289922.db2.gz 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Cc1cnc(C(=O)N(C)[C@H](C)Cc2ccc(O)cc2)c([O-])c1 ZINC000427758069 429468500 /nfs/dbraw/zinc/46/85/00/429468500.db2.gz ZMGDULSEMNNGHD-GFCCVEGCSA-N -1 1 300.358 2.504 20 0 DFADMM Cc1cnc(C(=O)N[C@@H](C)CC(=O)c2ccc(F)cc2)c([O-])c1 ZINC000427761262 429469372 /nfs/dbraw/zinc/46/93/72/429469372.db2.gz PXXAJKCQAXLKEB-NSHDSACASA-N -1 1 316.332 2.626 20 0 DFADMM COc1cc(C)nc(CN[C@@H](CC(=O)[O-])c2ccccc2)c1 ZINC000426773010 429415125 /nfs/dbraw/zinc/41/51/25/429415125.db2.gz HSYZOWDSLATCGL-INIZCTEOSA-N -1 1 300.358 2.704 20 0 DFADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccc3c(c2)ncn3C)o1 ZINC000426791192 429417925 /nfs/dbraw/zinc/41/79/25/429417925.db2.gz HKAXZRMMBODFQU-CQSZACIVSA-N -1 1 313.357 2.780 20 0 DFADMM COc1ccc(OC)c(CN[C@@H](C(=O)[O-])c2cccc(F)c2)c1 ZINC000426824654 429419147 /nfs/dbraw/zinc/41/91/47/429419147.db2.gz IZINIPLWUAVFSH-MRXNPFEDSA-N -1 1 319.332 2.758 20 0 DFADMM Cc1ccc2c([O-])c(C(=O)N3CC[C@@H](C)C(F)(F)C3)cnc2n1 ZINC000427935976 429478952 /nfs/dbraw/zinc/47/89/52/429478952.db2.gz 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Cc1cccc([C@]2(F)CCN(C(=O)c3cncc([O-])c3)C2)c1 ZINC000367421040 429644686 /nfs/dbraw/zinc/64/46/86/429644686.db2.gz XQOSKUSPKXPUOV-KRWDZBQOSA-N -1 1 300.333 2.807 20 0 DFADMM CC[C@@H]1OCC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000458280550 429613624 /nfs/dbraw/zinc/61/36/24/429613624.db2.gz DFKVUEONVYBAPS-PWSUYJOCSA-N -1 1 303.280 2.708 20 0 DFADMM CC(C)[C@@H]1C[C@H](CN=c2nc(C(F)(F)F)[n-]s2)CCO1 ZINC000450741972 429690184 /nfs/dbraw/zinc/69/01/84/429690184.db2.gz ZEJAWHHUQLVUKG-BDAKNGLRSA-N -1 1 309.357 2.842 20 0 DFADMM CCOc1cc(C(=O)NCc2ncccc2F)cc(Cl)c1[O-] ZINC000527273205 429738253 /nfs/dbraw/zinc/73/82/53/429738253.db2.gz WRCNBJGTEMSXMJ-UHFFFAOYSA-N -1 1 324.739 2.908 20 0 DFADMM CO[C@@H]1CCOc2c([N-]S(=O)(=O)CCCCF)cccc21 ZINC000451044935 429756613 /nfs/dbraw/zinc/75/66/13/429756613.db2.gz QUDYDYFQNOTYMA-CYBMUJFWSA-N -1 1 317.382 2.648 20 0 DFADMM CC(C)c1ncc2c(n1)CCN([C@@H](C(=O)[O-])c1ccccc1)C2 ZINC000527617580 429766488 /nfs/dbraw/zinc/76/64/88/429766488.db2.gz 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430117186 /nfs/dbraw/zinc/11/71/86/430117186.db2.gz RZLTWRVMTBSQAC-UHFFFAOYSA-N -1 1 321.402 2.541 20 0 DFADMM CC(C)CCN1Cc2cccc(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])c2C1 ZINC000634820814 430122504 /nfs/dbraw/zinc/12/25/04/430122504.db2.gz FXIKMGHLVCTAGZ-KGLIPLIRSA-N -1 1 316.401 2.708 20 0 DFADMM O=C([O-])C1(NC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CCC1 ZINC000562433571 430130861 /nfs/dbraw/zinc/13/08/61/430130861.db2.gz GRJVOQDTXWZVRW-UHFFFAOYSA-N -1 1 324.287 2.629 20 0 DFADMM CC(C)c1nc(=NCCc2cc(-c3ccncc3)[nH]n2)s[n-]1 ZINC000562474156 430136767 /nfs/dbraw/zinc/13/67/67/430136767.db2.gz UMAPVOQTPKXRHW-UHFFFAOYSA-N -1 1 314.418 2.523 20 0 DFADMM COc1ccc(-c2noc([N-][C@@H](C)c3nnc(C)s3)n2)cc1 ZINC000581291359 430195695 /nfs/dbraw/zinc/19/56/95/430195695.db2.gz AUXKHZPCJCKDDK-QMMMGPOBSA-N -1 1 317.374 3.078 20 0 DFADMM CC(C)(C)c1ncsc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000176630630 277278033 /nfs/dbraw/zinc/27/80/33/277278033.db2.gz ULGLCPIRLZLOIS-UHFFFAOYSA-N -1 1 319.312 2.830 20 0 DFADMM 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/nfs/dbraw/zinc/22/72/45/430227245.db2.gz UTCQNXSDYFYZRE-UHFFFAOYSA-N -1 1 321.377 2.536 20 0 DFADMM CSc1nc(CNC(=O)C2[C@H]3CCCCCC[C@H]23)cc(=O)[n-]1 ZINC000640654289 430227281 /nfs/dbraw/zinc/22/72/81/430227281.db2.gz QBCJKKAUTWKKJJ-RYUDHWBXSA-N -1 1 321.446 2.737 20 0 DFADMM CSc1nc(CNC(=O)CCc2ccc(C)s2)cc(=O)[n-]1 ZINC000640655345 430227614 /nfs/dbraw/zinc/22/76/14/430227614.db2.gz LNRVBKPJTCZYGM-UHFFFAOYSA-N -1 1 323.443 2.523 20 0 DFADMM CCOC(=O)c1cc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n[nH]1 ZINC000542834378 430228256 /nfs/dbraw/zinc/22/82/56/430228256.db2.gz GDCFPNYSOFSSCS-YNEHKIRRSA-N -1 1 319.405 3.131 20 0 DFADMM CCOC(=O)c1cc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)n[nH]1 ZINC000542834376 430229441 /nfs/dbraw/zinc/22/94/41/430229441.db2.gz GDCFPNYSOFSSCS-RWMBFGLXSA-N -1 1 319.405 3.131 20 0 DFADMM CC[C@@H](NC(=O)CCCc1nn[n-]n1)c1ccc(Cl)s1 ZINC000635568374 430309788 /nfs/dbraw/zinc/30/97/88/430309788.db2.gz HNIKUPSCGBUTGO-MRVPVSSYSA-N -1 1 313.814 2.505 20 0 DFADMM COC(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000545277053 430311049 /nfs/dbraw/zinc/31/10/49/430311049.db2.gz WNZZYGKXKZWBLP-GHMZBOCLSA-N -1 1 311.765 2.964 20 0 DFADMM COc1ccncc1CN(CCCC(=O)[O-])Cc1ccccc1 ZINC000568074972 430314579 /nfs/dbraw/zinc/31/45/79/430314579.db2.gz SWSIKRZYCNRZGN-UHFFFAOYSA-N -1 1 314.385 2.957 20 0 DFADMM O=C([O-])[C@@H](c1ccccc1C(F)(F)F)N1CCCOCC1 ZINC000582730806 430328963 /nfs/dbraw/zinc/32/89/63/430328963.db2.gz UDHOPSSWFBCKHG-GFCCVEGCSA-N -1 1 303.280 2.553 20 0 DFADMM Cc1cnc(S[C@H](C)C(=O)N2CCc3ccccc32)[n-]c1=O ZINC000568270646 430342641 /nfs/dbraw/zinc/34/26/41/430342641.db2.gz MIONYGLARYPMPR-LLVKDONJSA-N -1 1 315.398 2.561 20 0 DFADMM CC(C)[C@@H](C)C[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000546063590 430343834 /nfs/dbraw/zinc/34/38/34/430343834.db2.gz IIWHCCUPCWMGHS-QMMMGPOBSA-N -1 1 310.213 2.613 20 0 DFADMM CC(F)(F)C[N-]S(=O)(=O)CC[C@@H]1CCc2ccccc21 ZINC000641515407 430414452 /nfs/dbraw/zinc/41/44/52/430414452.db2.gz VBJOSDRAOYHSBG-LBPRGKRZSA-N -1 1 303.374 2.681 20 0 DFADMM CCOc1cc(C(=O)N(C)C2CCOCC2)cc(Cl)c1[O-] ZINC000546564455 430355516 /nfs/dbraw/zinc/35/55/16/430355516.db2.gz RODIEQZBXILULT-UHFFFAOYSA-N -1 1 313.781 2.695 20 0 DFADMM O=C([O-])[C@H]1CSCCN1Cc1ccc(Cl)c2cccnc12 ZINC000583275080 430381432 /nfs/dbraw/zinc/38/14/32/430381432.db2.gz ZWZWLMBTKUFSFN-CYBMUJFWSA-N -1 1 322.817 2.890 20 0 DFADMM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@@H](F)C2)cc1F ZINC000568860708 430399606 /nfs/dbraw/zinc/39/96/06/430399606.db2.gz FXLBBRYAWPQEAK-ZJUUUORDSA-N -1 1 307.337 2.832 20 0 DFADMM Cc1nc(SCc2nnc(C(F)(F)F)s2)[n-]c(=O)c1C ZINC000641474936 430408315 /nfs/dbraw/zinc/40/83/15/430408315.db2.gz YXCQQQNIRIZAMF-UHFFFAOYSA-N -1 1 322.337 2.962 20 0 DFADMM Cc1cccc(-c2noc(CN3C[C@H](C(=O)[O-])CC[C@@H]3C)n2)c1 ZINC000568983038 430410376 /nfs/dbraw/zinc/41/03/76/430410376.db2.gz BIOLXRDZCVFMRV-GXTWGEPZSA-N -1 1 315.373 2.730 20 0 DFADMM CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1cccc(C)c1F ZINC000641685339 430441924 /nfs/dbraw/zinc/44/19/24/430441924.db2.gz 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ZINC000636153298 430476136 /nfs/dbraw/zinc/47/61/36/430476136.db2.gz WUJRGQXJIDQJJD-CYBMUJFWSA-N -1 1 316.788 2.829 20 0 DFADMM Cc1nc(CNC(=O)c2c([O-])cccc2F)nc2ccccc12 ZINC000548517280 430484071 /nfs/dbraw/zinc/48/40/71/430484071.db2.gz BBRNAUSWRYBAOJ-UHFFFAOYSA-N -1 1 311.316 2.713 20 0 DFADMM CCC[C@H](NC(=O)c1coc(C2CCCCC2)n1)c1nn[n-]n1 ZINC000548604111 430485019 /nfs/dbraw/zinc/48/50/19/430485019.db2.gz HLWTXAIMAKCSOX-NSHDSACASA-N -1 1 318.381 2.507 20 0 DFADMM C[C@@H]1CCN(Cc2ccn(-c3ccc(F)cc3)n2)C[C@@H]1C(=O)[O-] ZINC000569810336 430488598 /nfs/dbraw/zinc/48/85/98/430488598.db2.gz JKILSWRGRPROHO-WBMJQRKESA-N -1 1 317.364 2.554 20 0 DFADMM COc1ccccc1OCCNC(=O)c1ccc(Cl)cc1[O-] ZINC000641923961 430490042 /nfs/dbraw/zinc/49/00/42/430490042.db2.gz UITHWVUBZSAGRO-UHFFFAOYSA-N -1 1 321.760 2.863 20 0 DFADMM Cc1noc([C@H](C)N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000641943522 430492314 /nfs/dbraw/zinc/49/23/14/430492314.db2.gz HWIBJARFHMIHKD-NSHDSACASA-N -1 1 315.373 2.740 20 0 DFADMM O=C([O-])C[C@H]1CCCN1Cc1ccn(CCc2ccccc2)n1 ZINC000569981392 430503519 /nfs/dbraw/zinc/50/35/19/430503519.db2.gz BGXSYYUUPQKGFI-QGZVFWFLSA-N -1 1 313.401 2.565 20 0 DFADMM COc1ccsc1C(=O)[N-]c1nnc([C@H]2CCCO2)s1 ZINC000636353161 430521762 /nfs/dbraw/zinc/52/17/62/430521762.db2.gz OXFSOZXLEXVBPU-MRVPVSSYSA-N -1 1 311.388 2.712 20 0 DFADMM CCCc1nc(C(=O)[N-]c2nnc([C@H]3CCCO3)s2)co1 ZINC000636355449 430522074 /nfs/dbraw/zinc/52/20/74/430522074.db2.gz PJBZDWMAFSDVNK-SECBINFHSA-N -1 1 308.363 2.582 20 0 DFADMM O=C([N-]c1nnc([C@H]2CCCO2)s1)c1cc(F)ccc1F ZINC000636352281 430522329 /nfs/dbraw/zinc/52/23/29/430522329.db2.gz YYYXJGLYTIRIDH-SNVBAGLBSA-N -1 1 311.313 2.920 20 0 DFADMM COC(=O)c1cccc(CSc2nc(C3CC3)cc(=O)[n-]2)n1 ZINC000570356699 430535965 /nfs/dbraw/zinc/53/59/65/430535965.db2.gz YFJCGAZVMPUZIX-UHFFFAOYSA-N -1 1 317.370 2.534 20 0 DFADMM O=C(c1ccc(Br)cc1[O-])N1Cc2cccnc2C1 ZINC000550245216 430539229 /nfs/dbraw/zinc/53/92/29/430539229.db2.gz TWAJRWVKKOWVON-UHFFFAOYSA-N -1 1 319.158 2.706 20 0 DFADMM CCC[C@@H](CC)S(=O)(=O)[N-]c1ccsc1C(=O)OC ZINC000570631014 430560205 /nfs/dbraw/zinc/56/02/05/430560205.db2.gz IEXZEDRIPHLJLR-SECBINFHSA-N -1 1 305.421 2.855 20 0 DFADMM Cc1noc(C2CCN([C@@H](C)c3cc(C(=O)[O-])c(C)o3)CC2)n1 ZINC000570689848 430567607 /nfs/dbraw/zinc/56/76/07/430567607.db2.gz XLXVGHGUNQMXSK-VIFPVBQESA-N -1 1 319.361 2.918 20 0 DFADMM CO[C@H]1CCN(Cc2c(F)cccc2Cl)[C@H](C(=O)[O-])C1 ZINC000570818164 430579376 /nfs/dbraw/zinc/57/93/76/430579376.db2.gz NQVMEGWIWOSTSF-ZANVPECISA-N -1 1 301.745 2.543 20 0 DFADMM CCOC(=O)c1cc(NC(=O)c2ccc3c(c2)CCC=C3)n[nH]1 ZINC000552152087 430588353 /nfs/dbraw/zinc/58/83/53/430588353.db2.gz QZXGOJQQDPJRLD-UHFFFAOYSA-N -1 1 311.341 2.798 20 0 DFADMM C[C@@H]1CCN(Cc2coc(-c3ccccc3)n2)C[C@H]1C(=O)[O-] ZINC000570964686 430593082 /nfs/dbraw/zinc/59/30/82/430593082.db2.gz WYQQBTIIMMEJFD-IUODEOHRSA-N -1 1 300.358 2.884 20 0 DFADMM COc1ccccc1OCCN(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000571053440 430600530 /nfs/dbraw/zinc/60/05/30/430600530.db2.gz LDVLGNILGNTNGR-UHFFFAOYSA-N -1 1 319.357 2.806 20 0 DFADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC(C)(C)C(F)(F)F ZINC000554803964 430652969 /nfs/dbraw/zinc/65/29/69/430652969.db2.gz JUSZIXLVOHOFEQ-UHFFFAOYSA-N -1 1 323.340 2.531 20 0 DFADMM O=C([O-])CCC(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000554070093 430627427 /nfs/dbraw/zinc/62/74/27/430627427.db2.gz JFJYWNZYTFEKHK-GOSISDBHSA-N -1 1 323.352 2.633 20 0 DFADMM C[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1ncccc1O ZINC000571482552 430630459 /nfs/dbraw/zinc/63/04/59/430630459.db2.gz DEEQLWJUHUPJMU-UHFFFAOYSA-N -1 1 310.357 2.512 20 0 DFADMM O=C1N[C@H](c2cccc([O-])c2Cl)N2CCc3ccccc3[C@H]12 ZINC000639420131 430636697 /nfs/dbraw/zinc/63/66/97/430636697.db2.gz HXLOLAZJAYZQQM-CVEARBPZSA-N -1 1 314.772 2.773 20 0 DFADMM COc1cccc2c1O[C@H](c1cccc([O-])c1Cl)NC2=O ZINC000639436509 430638993 /nfs/dbraw/zinc/63/89/93/430638993.db2.gz WKTXMALJPMPQGQ-OAHLLOKOSA-N -1 1 305.717 2.875 20 0 DFADMM CCc1nn(C)cc1CN[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000643898580 430641832 /nfs/dbraw/zinc/64/18/32/430641832.db2.gz NCWDGFMIWUFSLP-OAHLLOKOSA-N -1 1 321.808 2.942 20 0 DFADMM CO[C@](C)(C[N-]S(=O)(=O)c1cc2ccccc2o1)C1CC1 ZINC000555224361 430663132 /nfs/dbraw/zinc/66/31/32/430663132.db2.gz IGGQFIOALLITPH-OAHLLOKOSA-N -1 1 309.387 2.526 20 0 DFADMM CCOC(=O)c1cccc(N(CC)C(=O)c2cncc([O-])c2)c1 ZINC000555787382 430674398 /nfs/dbraw/zinc/67/43/98/430674398.db2.gz WGBRLOJMQCNDFY-UHFFFAOYSA-N -1 1 314.341 2.631 20 0 DFADMM COc1cc(C(=O)NCc2ccn(C(C)C)n2)cc(Cl)c1[O-] ZINC000555948381 430676786 /nfs/dbraw/zinc/67/67/86/430676786.db2.gz VQTSWAIRYIHHGT-UHFFFAOYSA-N -1 1 323.780 2.762 20 0 DFADMM COc1ccc2c(c1)[n-]cc(C(=O)N1CCCC[C@@H]1C)c2=O ZINC000297890365 277994570 /nfs/dbraw/zinc/99/45/70/277994570.db2.gz OAIRAWNKQUKTJO-NSHDSACASA-N -1 1 300.358 2.964 20 0 DFADMM C[C@@H](C(=O)Nc1cccc(F)c1)N1CCC[C@H](CC(=O)[O-])CC1 ZINC000648422355 430782459 /nfs/dbraw/zinc/78/24/59/430782459.db2.gz PKDVNWQNOQDLHM-STQMWFEESA-N -1 1 322.380 2.730 20 0 DFADMM C[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1noc(C(F)F)n1 ZINC000644770478 430818742 /nfs/dbraw/zinc/81/87/42/430818742.db2.gz DMTBFXVJGDGXSK-YFKPBYRVSA-N -1 1 317.679 2.857 20 0 DFADMM CC(C)([N-]S(=O)(=O)c1ccc(Cl)c(F)c1)C(F)F ZINC000651682198 430848354 /nfs/dbraw/zinc/84/83/54/430848354.db2.gz PMXHIYYTMXBJON-UHFFFAOYSA-N -1 1 301.717 2.801 20 0 DFADMM CCS(=O)(=O)[N-]c1cc(-c2cncc(C)c2)ccc1OC ZINC000665191065 430851823 /nfs/dbraw/zinc/85/18/23/430851823.db2.gz PPIMJFSQBMQRQB-UHFFFAOYSA-N -1 1 306.387 2.827 20 0 DFADMM O=C([O-])[C@]12COC[C@H]1CN(Cc1csc(Cl)c1Cl)C2 ZINC000665345032 430902311 /nfs/dbraw/zinc/90/23/11/430902311.db2.gz BESWQXLDISTLAN-PRHODGIISA-N -1 1 322.213 2.588 20 0 DFADMM C[C@@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)C(C)(C)C ZINC000651912266 430912557 /nfs/dbraw/zinc/91/25/57/430912557.db2.gz QYTVAGDHRGFUML-MRVPVSSYSA-N -1 1 310.341 2.813 20 0 DFADMM CCOc1cc(C(=O)NCC2(COC)CC2)cc(Cl)c1[O-] ZINC000655253577 430940657 /nfs/dbraw/zinc/94/06/57/430940657.db2.gz UIFLINNZTKFKIO-UHFFFAOYSA-N -1 1 313.781 2.601 20 0 DFADMM Cc1cnc(C(=O)N2C[C@@H](C)OC3(CCCCC3)C2)c([O-])c1 ZINC000655382111 430984482 /nfs/dbraw/zinc/98/44/82/430984482.db2.gz XCYDRTXYVZHXLP-CYBMUJFWSA-N -1 1 304.390 2.659 20 0 DFADMM C[C@H](CN(C)Cc1ncc(Br)cc1Cl)C(=O)[O-] ZINC000662210666 431001359 /nfs/dbraw/zinc/00/13/59/431001359.db2.gz JBDSWJGMQMVGIW-SSDOTTSWSA-N -1 1 321.602 2.650 20 0 DFADMM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2cccc(F)c2OC(F)F)C1 ZINC000662215888 431001704 /nfs/dbraw/zinc/00/17/04/431001704.db2.gz PPSMQACRFVNNCX-ONGXEEELSA-N -1 1 317.307 2.970 20 0 DFADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)CN1CCC(CCC(=O)[O-])CC1 ZINC000662217589 431003099 /nfs/dbraw/zinc/00/30/99/431003099.db2.gz GRWZVDWSGBNZGD-GDBMZVCRSA-N -1 1 324.465 2.600 20 0 DFADMM CCOc1cc(C(=O)N(CC)c2cnn(C)c2)cc(Cl)c1[O-] ZINC000655329735 430962247 /nfs/dbraw/zinc/96/22/47/430962247.db2.gz XGULLXODDRXFAI-UHFFFAOYSA-N -1 1 323.780 2.845 20 0 DFADMM O=C(N[C@@H](C[C@H]1CCCO1)C(F)(F)F)c1ccc([O-])c(F)c1 ZINC000655338752 430965546 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HKBZTAYBVHMJAF-LLVKDONJSA-N -1 1 300.333 2.994 20 0 DFADMM Cc1cnc(C(=O)N2CC[C@@H](Oc3cccc(F)c3)C2)c([O-])c1 ZINC000681745717 545712836 /nfs/dbraw/zinc/71/28/36/545712836.db2.gz MGICBNZXEGQOAS-CQSZACIVSA-N -1 1 316.332 2.528 20 0 DFADMM CCN(C[C@@H]1CCOC1)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000682358860 545828811 /nfs/dbraw/zinc/82/88/11/545828811.db2.gz PYFBZSZEHLGKQZ-JTQLQIEISA-N -1 1 313.781 2.553 20 0 DFADMM O=C(Nc1ccc(F)cc1[O-])c1cnn(CC(F)(F)F)c1 ZINC000682517397 545865873 /nfs/dbraw/zinc/86/58/73/545865873.db2.gz WVTARJVJZYAJDQ-UHFFFAOYSA-N -1 1 303.215 2.542 20 0 DFADMM COC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000682814487 545920209 /nfs/dbraw/zinc/92/02/09/545920209.db2.gz QRZSGXZSPMLWFH-OAHLLOKOSA-N -1 1 317.360 2.861 20 0 DFADMM O=C([O-])C[C@H](NCc1nc2c(s1)CCC2)c1ccccc1 ZINC000683173497 545984697 /nfs/dbraw/zinc/98/46/97/545984697.db2.gz JUUCANSWTFJCSU-ZDUSSCGKSA-N -1 1 302.399 2.937 20 0 DFADMM COc1ccc2c(c1)[nH]nc2NC(=O)c1ccc([O-])c(F)c1 ZINC000683670206 546075180 /nfs/dbraw/zinc/07/51/80/546075180.db2.gz OUKCWKGWKISOMY-UHFFFAOYSA-N -1 1 301.277 2.669 20 0 DFADMM CC1(C)CCCC[C@@H]1C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000684127606 546155901 /nfs/dbraw/zinc/15/59/01/546155901.db2.gz MHLKEPYJCCFVGE-ZIAGYGMSSA-N -1 1 313.405 2.622 20 0 DFADMM CC1=C[C@@H](C)CN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)C1 ZINC000684758455 546274731 /nfs/dbraw/zinc/27/47/31/546274731.db2.gz BRERLGKUGPEGLH-SNVBAGLBSA-N -1 1 303.406 2.826 20 0 DFADMM C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2C(=O)c2ncccc2[O-])C1 ZINC000684860549 546294378 /nfs/dbraw/zinc/29/43/78/546294378.db2.gz FDJNNDRWRJCTFL-QPSCCSFWSA-N -1 1 318.417 2.579 20 0 DFADMM CC[C@H](CCO)CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684875657 546296320 /nfs/dbraw/zinc/29/63/20/546296320.db2.gz MSJJTSPZEGGURK-SECBINFHSA-N -1 1 305.296 2.549 20 0 DFADMM COc1ccc(C)cc1CNC(=O)c1c(F)ccc([O-])c1F ZINC000685421043 546346459 /nfs/dbraw/zinc/34/64/59/546346459.db2.gz MMBHDABVPASVNH-UHFFFAOYSA-N -1 1 307.296 2.917 20 0 DFADMM O=S(=O)(CCc1cccs1)[N-]c1c(O)cccc1F ZINC000685901373 546407212 /nfs/dbraw/zinc/40/72/12/546407212.db2.gz FOLQXKVTGLGRAM-UHFFFAOYSA-N -1 1 301.364 2.577 20 0 DFADMM Fc1ccccc1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000737669512 598934720 /nfs/dbraw/zinc/93/47/20/598934720.db2.gz ODZRFUBZTWMFCX-UHFFFAOYSA-N -1 1 321.319 2.561 20 0 DFADMM Fc1ccccc1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000737669512 598934722 /nfs/dbraw/zinc/93/47/22/598934722.db2.gz ODZRFUBZTWMFCX-UHFFFAOYSA-N -1 1 321.319 2.561 20 0 DFADMM CC(C)c1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735933033 598978744 /nfs/dbraw/zinc/97/87/44/598978744.db2.gz SBTGLJZEPHBZJK-UHFFFAOYSA-N -1 1 308.345 2.637 20 0 DFADMM CC(C)c1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735933033 598978745 /nfs/dbraw/zinc/97/87/45/598978745.db2.gz SBTGLJZEPHBZJK-UHFFFAOYSA-N -1 1 308.345 2.637 20 0 DFADMM O=C(Nc1cccc2ccccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738186499 598980050 /nfs/dbraw/zinc/98/00/50/598980050.db2.gz ZZJGRRBUXSAUTQ-UHFFFAOYSA-N -1 1 316.324 2.667 20 0 DFADMM O=C(Nc1cccc2ccccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738186499 598980053 /nfs/dbraw/zinc/98/00/53/598980053.db2.gz ZZJGRRBUXSAUTQ-UHFFFAOYSA-N -1 1 316.324 2.667 20 0 DFADMM CC(C)C1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000820047327 599054506 /nfs/dbraw/zinc/05/45/06/599054506.db2.gz XMGKIRWMOZZMAG-UHFFFAOYSA-N -1 1 306.801 2.788 20 0 DFADMM CC(C)C1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000820047327 599054509 /nfs/dbraw/zinc/05/45/09/599054509.db2.gz XMGKIRWMOZZMAG-UHFFFAOYSA-N -1 1 306.801 2.788 20 0 DFADMM c1cnn(-c2ccc(NCc3ccc(-c4nn[n-]n4)s3)cc2)c1 ZINC000823815851 607309561 /nfs/dbraw/zinc/30/95/61/607309561.db2.gz KSLZNTJPKLWGBO-UHFFFAOYSA-N -1 1 323.385 2.726 20 0 DFADMM O=C([O-])C[C@@H]1CCCN(Cc2cnc3ccc(Cl)cn23)C1 ZINC000821516432 598151779 /nfs/dbraw/zinc/15/17/79/598151779.db2.gz UVSWDRRGFMNULR-NSHDSACASA-N -1 1 307.781 2.674 20 0 DFADMM COc1ccccc1[C@@H](N[C@H](C)CC(=O)[O-])c1ccccn1 ZINC000820876517 598217497 /nfs/dbraw/zinc/21/74/97/598217497.db2.gz OFEJPULTZAMHOO-SJKOYZFVSA-N -1 1 300.358 2.632 20 0 DFADMM CN(CC1CCCCC1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736791553 598572840 /nfs/dbraw/zinc/57/28/40/598572840.db2.gz AIIUTENJBGRFOO-UHFFFAOYSA-N -1 1 306.801 2.932 20 0 DFADMM CN(CC1CCCCC1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736791553 598572841 /nfs/dbraw/zinc/57/28/41/598572841.db2.gz AIIUTENJBGRFOO-UHFFFAOYSA-N -1 1 306.801 2.932 20 0 DFADMM CSC(C)(C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000821950974 599357707 /nfs/dbraw/zinc/35/77/07/599357707.db2.gz TUZLYXWXFFENFO-UHFFFAOYSA-N -1 1 304.832 2.530 20 0 DFADMM CSC(C)(C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000821950974 599357710 /nfs/dbraw/zinc/35/77/10/599357710.db2.gz TUZLYXWXFFENFO-UHFFFAOYSA-N -1 1 304.832 2.530 20 0 DFADMM COc1ccc(F)cc1[C@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000737099360 599411778 /nfs/dbraw/zinc/41/17/78/599411778.db2.gz MCZJWZHBEFOKMS-VIFPVBQESA-N -1 1 314.324 2.583 20 0 DFADMM COc1ccc(F)cc1[C@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000737099360 599411779 /nfs/dbraw/zinc/41/17/79/599411779.db2.gz MCZJWZHBEFOKMS-VIFPVBQESA-N -1 1 314.324 2.583 20 0 DFADMM Cc1ccccc1C1(CNc2cccc(-c3nnn[n-]3)n2)CC1 ZINC000737419612 599425321 /nfs/dbraw/zinc/42/53/21/599425321.db2.gz FIRXLCWMTNYDLF-UHFFFAOYSA-N -1 1 306.373 2.714 20 0 DFADMM Cc1ccccc1C1(CNc2cccc(-c3nn[n-]n3)n2)CC1 ZINC000737419612 599425324 /nfs/dbraw/zinc/42/53/24/599425324.db2.gz FIRXLCWMTNYDLF-UHFFFAOYSA-N -1 1 306.373 2.714 20 0 DFADMM CC1(c2ccccc2)CC(Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC000736224579 599431346 /nfs/dbraw/zinc/43/13/46/599431346.db2.gz SOWOSMIDLGVNTK-UHFFFAOYSA-N -1 1 306.373 2.794 20 0 DFADMM CC1(c2ccccc2)CC(Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC000736224579 599431347 /nfs/dbraw/zinc/43/13/47/599431347.db2.gz SOWOSMIDLGVNTK-UHFFFAOYSA-N -1 1 306.373 2.794 20 0 DFADMM CSCC[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000737180081 599444323 /nfs/dbraw/zinc/44/43/23/599444323.db2.gz BIGXYDDSHJXBSJ-RXMQYKEDSA-N -1 1 304.832 2.530 20 0 DFADMM CSCC[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000737180081 599444325 /nfs/dbraw/zinc/44/43/25/599444325.db2.gz BIGXYDDSHJXBSJ-RXMQYKEDSA-N -1 1 304.832 2.530 20 0 DFADMM CC[C@@H](C)[C@@H](NC(=O)CN1CCC2(CCCCC2)CC1)C(=O)[O-] ZINC000736879447 599853525 /nfs/dbraw/zinc/85/35/25/599853525.db2.gz QNLBNSYVPLFXRT-GDBMZVCRSA-N -1 1 324.465 2.648 20 0 DFADMM CSc1cccc(NC(=O)CN(C[C@H](C)C(=O)[O-])C2CC2)c1 ZINC000738213976 599951606 /nfs/dbraw/zinc/95/16/06/599951606.db2.gz GNPVHVWQHWSTEN-NSHDSACASA-N -1 1 322.430 2.532 20 0 DFADMM CCC[C@](C)(NCC(=O)N(Cc1ccccc1)C(C)C)C(=O)[O-] ZINC000736962165 600156175 /nfs/dbraw/zinc/15/61/75/600156175.db2.gz YZRGYHMDBNXESY-SFHVURJKSA-N -1 1 320.433 2.657 20 0 DFADMM C[C@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1)N1CCCCCC1 ZINC000736218157 600404684 /nfs/dbraw/zinc/40/46/84/600404684.db2.gz LLZITYRFQUXZGW-LLVKDONJSA-N -1 1 308.353 2.727 20 0 DFADMM O=C([O-])CCCCCCNC(=O)c1c[nH]c(-c2ccccc2)n1 ZINC000739666157 600638806 /nfs/dbraw/zinc/63/88/06/600638806.db2.gz BQPNSXXCULEGOU-UHFFFAOYSA-N -1 1 315.373 2.842 20 0 DFADMM CC(C)[C@H](C(=O)OCc1ccc(F)cc1C(=O)[O-])N1CCCC1 ZINC000736349455 600735173 /nfs/dbraw/zinc/73/51/73/600735173.db2.gz LBPGWYPCUZKLKZ-OAHLLOKOSA-N -1 1 323.364 2.688 20 0 DFADMM CC(C)C[C@@H]1CCN(CC(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000826839668 600823533 /nfs/dbraw/zinc/82/35/33/600823533.db2.gz FNTYLDVLSGEHRL-ZDUSSCGKSA-N -1 1 304.390 2.691 20 0 DFADMM CC(C)N(CCC(=O)[O-])Cc1nnc(-c2cccc(F)c2)o1 ZINC000826946952 600828812 /nfs/dbraw/zinc/82/88/12/600828812.db2.gz LKZNYXSIMXTSDZ-UHFFFAOYSA-N -1 1 307.325 2.561 20 0 DFADMM CC[C@@H](C)[C@@H](NC(=O)CN1CCC(C2CCCC2)CC1)C(=O)[O-] ZINC000828714457 600841418 /nfs/dbraw/zinc/84/14/18/600841418.db2.gz APEDCRLWNUPVKX-CXAGYDPISA-N -1 1 324.465 2.504 20 0 DFADMM CC[C@]1(C)CCCN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000829044224 601036990 /nfs/dbraw/zinc/03/69/90/601036990.db2.gz NQSBMFUVQLEULE-QGZVFWFLSA-N -1 1 304.390 2.835 20 0 DFADMM CC[C@@]1(C)CCCN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000829044222 601037059 /nfs/dbraw/zinc/03/70/59/601037059.db2.gz NQSBMFUVQLEULE-KRWDZBQOSA-N -1 1 304.390 2.835 20 0 DFADMM CC[C@]1(C)CCCN(CC(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC000829044952 601037176 /nfs/dbraw/zinc/03/71/76/601037176.db2.gz YTQZAWPWQXULAL-QGZVFWFLSA-N -1 1 304.390 2.835 20 0 DFADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1C[C@@H](C)CC[C@@H]1C ZINC000832915995 601052029 /nfs/dbraw/zinc/05/20/29/601052029.db2.gz MGAKWEAXUUXSSR-AAEUAGOBSA-N -1 1 304.390 2.752 20 0 DFADMM CCn1ncc2c1CCC[C@@H]2N[C@@H](C(=O)[O-])c1ccccc1F ZINC000737312196 601102096 /nfs/dbraw/zinc/10/20/96/601102096.db2.gz MLZBCUWNCUUMSF-GOEBONIOSA-N -1 1 317.364 2.835 20 0 DFADMM CC[C@H](C)CN(CC)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000828746661 601181018 /nfs/dbraw/zinc/18/10/18/601181018.db2.gz HRESYBMHJHNCHV-NSHDSACASA-N -1 1 317.389 2.902 20 0 DFADMM CCCCCCOCCOC(=O)c1sccc1-c1nn[n-]n1 ZINC000821056653 607498631 /nfs/dbraw/zinc/49/86/31/607498631.db2.gz VRXZCNWENMDXMJ-UHFFFAOYSA-N -1 1 324.406 2.682 20 0 DFADMM Cc1ccc2c(c1)N(Cc1ccnc(-c3nnn[n-]3)c1)CCC2 ZINC000826293880 607500058 /nfs/dbraw/zinc/50/00/58/607500058.db2.gz DEROPUQXGDMRBZ-UHFFFAOYSA-N -1 1 306.373 2.523 20 0 DFADMM Cc1ccc2c(c1)N(Cc1ccnc(-c3nn[n-]n3)c1)CCC2 ZINC000826293880 607500059 /nfs/dbraw/zinc/50/00/59/607500059.db2.gz DEROPUQXGDMRBZ-UHFFFAOYSA-N -1 1 306.373 2.523 20 0 DFADMM CCc1oc(C(=O)[O-])cc1CN(Cc1ccccc1)C[C@H](C)O ZINC000830363859 601421738 /nfs/dbraw/zinc/42/17/38/601421738.db2.gz ZACWFIPPUAWNTP-ZDUSSCGKSA-N -1 1 317.385 2.923 20 0 DFADMM CCC1CCC(NCC(=O)N2[C@H](C)CCC[C@@H]2C)(C(=O)[O-])CC1 ZINC000829101491 601495960 /nfs/dbraw/zinc/49/59/60/601495960.db2.gz PYKJETRCMJXJDM-FLOBVVSRSA-N -1 1 324.465 2.789 20 0 DFADMM CCCN(CCC)C(=O)CNC1(C(=O)[O-])CCC(CC)CC1 ZINC000829492048 601496748 /nfs/dbraw/zinc/49/67/48/601496748.db2.gz OYXNVPUZHBOYAO-UHFFFAOYSA-N -1 1 312.454 2.648 20 0 DFADMM CN(C)Cc1ccc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1F ZINC000830620014 601612510 /nfs/dbraw/zinc/61/25/10/601612510.db2.gz NEPKEWYCRGGYFL-NWDGAFQWSA-N -1 1 322.380 2.717 20 0 DFADMM CN(Cc1ccc2c(c1)OCO2)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000830811130 601615422 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COC(=O)c1ccc(F)c(CN[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000833716093 605841910 /nfs/dbraw/zinc/84/19/10/605841910.db2.gz PNVWEWKUNFFDFC-OAHLLOKOSA-N -1 1 317.316 2.528 20 0 DFADMM O=C([O-])c1ccc(F)c(CN[C@@H](CCO)c2ccccc2)c1 ZINC000833781136 605845284 /nfs/dbraw/zinc/84/52/84/605845284.db2.gz RNZONSISLASKKC-INIZCTEOSA-N -1 1 303.333 2.737 20 0 DFADMM O=C([O-])N1CC[C@H](N[C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000834082577 605983516 /nfs/dbraw/zinc/98/35/16/605983516.db2.gz HAEHLCSMKCKCBH-JKSUJKDBSA-N -1 1 315.348 2.652 20 0 DFADMM C[C@H](COC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000820288930 606131587 /nfs/dbraw/zinc/13/15/87/606131587.db2.gz YUNXMVQTLZMNQK-SNVBAGLBSA-N -1 1 314.370 2.889 20 0 DFADMM C[C@H](COC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000820288930 606131590 /nfs/dbraw/zinc/13/15/90/606131590.db2.gz YUNXMVQTLZMNQK-SNVBAGLBSA-N -1 1 314.370 2.889 20 0 DFADMM O=C(OCc1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823426942 606137090 /nfs/dbraw/zinc/13/70/90/606137090.db2.gz RQWPANKEGQYZDC-UHFFFAOYSA-N -1 1 322.296 2.563 20 0 DFADMM O=C(OCc1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823426942 606137092 /nfs/dbraw/zinc/13/70/92/606137092.db2.gz RQWPANKEGQYZDC-UHFFFAOYSA-N -1 1 322.296 2.563 20 0 DFADMM C[C@@H]1CC(OC(=O)c2ccc(-c3nnn[n-]3)s2)C[C@@H](C)C1 ZINC000820650915 606180168 /nfs/dbraw/zinc/18/01/68/606180168.db2.gz YXXRSFKMOKTARH-IUCAKERBSA-N -1 1 306.391 2.910 20 0 DFADMM C[C@@H]1CC(OC(=O)c2ccc(-c3nn[n-]n3)s2)C[C@@H](C)C1 ZINC000820650915 606180169 /nfs/dbraw/zinc/18/01/69/606180169.db2.gz YXXRSFKMOKTARH-IUCAKERBSA-N -1 1 306.391 2.910 20 0 DFADMM CC[C@@H](CNc1cccc(-c2nnn[n-]2)n1)Oc1ccccc1C ZINC000820909624 606427235 /nfs/dbraw/zinc/42/72/35/606427235.db2.gz YWUBUIMYUVMVJR-ZDUSSCGKSA-N -1 1 324.388 2.840 20 0 DFADMM CC[C@@H](CNc1cccc(-c2nn[n-]n2)n1)Oc1ccccc1C ZINC000820909624 606427237 /nfs/dbraw/zinc/42/72/37/606427237.db2.gz YWUBUIMYUVMVJR-ZDUSSCGKSA-N -1 1 324.388 2.840 20 0 DFADMM COc1ccccc1Oc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821904115 606438754 /nfs/dbraw/zinc/43/87/54/606438754.db2.gz QLZVPUDLNFSXLJ-UHFFFAOYSA-N -1 1 303.709 2.716 20 0 DFADMM COc1ccccc1Oc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821904115 606438756 /nfs/dbraw/zinc/43/87/56/606438756.db2.gz QLZVPUDLNFSXLJ-UHFFFAOYSA-N -1 1 303.709 2.716 20 0 DFADMM C[C@H]1Cc2ccccc2N1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820814258 606441649 /nfs/dbraw/zinc/44/16/49/606441649.db2.gz UDVDFFPQKWAKEC-VIFPVBQESA-N -1 1 312.764 2.998 20 0 DFADMM C[C@H]1Cc2ccccc2N1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820814258 606441651 /nfs/dbraw/zinc/44/16/51/606441651.db2.gz UDVDFFPQKWAKEC-VIFPVBQESA-N -1 1 312.764 2.998 20 0 DFADMM C[C@@H]1Cc2ccccc2N1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820814257 606441785 /nfs/dbraw/zinc/44/17/85/606441785.db2.gz UDVDFFPQKWAKEC-SECBINFHSA-N -1 1 312.764 2.998 20 0 DFADMM C[C@@H]1Cc2ccccc2N1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820814257 606441787 /nfs/dbraw/zinc/44/17/87/606441787.db2.gz UDVDFFPQKWAKEC-SECBINFHSA-N -1 1 312.764 2.998 20 0 DFADMM COc1cccc([C@@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)c1 ZINC000821864292 606446760 /nfs/dbraw/zinc/44/67/60/606446760.db2.gz WAFXFRWCXZKDKC-HNNXBMFYSA-N -1 1 322.372 2.612 20 0 DFADMM COc1cccc([C@@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)c1 ZINC000821864292 606446762 /nfs/dbraw/zinc/44/67/62/606446762.db2.gz WAFXFRWCXZKDKC-HNNXBMFYSA-N -1 1 322.372 2.612 20 0 DFADMM Fc1ccc([C@@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)cc1 ZINC000822767091 606447049 /nfs/dbraw/zinc/44/70/49/606447049.db2.gz WKIIFFJBGFKQNP-AWEZNQCLSA-N -1 1 310.336 2.742 20 0 DFADMM Fc1ccc([C@@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)cc1 ZINC000822767091 606447051 /nfs/dbraw/zinc/44/70/51/606447051.db2.gz WKIIFFJBGFKQNP-AWEZNQCLSA-N -1 1 310.336 2.742 20 0 DFADMM Cc1cccc([C@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)c1 ZINC000822299795 606459002 /nfs/dbraw/zinc/45/90/02/606459002.db2.gz VDOKQEAJXXCADI-OAHLLOKOSA-N -1 1 306.373 2.912 20 0 DFADMM Cc1cccc([C@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)c1 ZINC000822299795 606459003 /nfs/dbraw/zinc/45/90/03/606459003.db2.gz VDOKQEAJXXCADI-OAHLLOKOSA-N -1 1 306.373 2.912 20 0 DFADMM Clc1ccc(NC[C@@H]2Cc3ccccc32)nc1-c1nnn[n-]1 ZINC000822578951 606459413 /nfs/dbraw/zinc/45/94/13/606459413.db2.gz UFAGXBWIFXQXLZ-JTQLQIEISA-N -1 1 312.764 2.667 20 0 DFADMM Clc1ccc(NC[C@@H]2Cc3ccccc32)nc1-c1nn[n-]n1 ZINC000822578951 606459414 /nfs/dbraw/zinc/45/94/14/606459414.db2.gz UFAGXBWIFXQXLZ-JTQLQIEISA-N -1 1 312.764 2.667 20 0 DFADMM C[C@@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccncc1 ZINC000820281896 606476623 /nfs/dbraw/zinc/47/66/23/606476623.db2.gz YXAOMJCPIMEXBI-VIFPVBQESA-N -1 1 315.768 2.526 20 0 DFADMM C[C@@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccncc1 ZINC000820281896 606476624 /nfs/dbraw/zinc/47/66/24/606476624.db2.gz YXAOMJCPIMEXBI-VIFPVBQESA-N -1 1 315.768 2.526 20 0 DFADMM CCCC[C@H](CC)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821040781 606485756 /nfs/dbraw/zinc/48/57/56/606485756.db2.gz RJKTUYRCZWYKOK-JTQLQIEISA-N -1 1 307.423 2.874 20 0 DFADMM CCCC[C@H](CC)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821040781 606485759 /nfs/dbraw/zinc/48/57/59/606485759.db2.gz RJKTUYRCZWYKOK-JTQLQIEISA-N -1 1 307.423 2.874 20 0 DFADMM CC(C)CCC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820072868 606486977 /nfs/dbraw/zinc/48/69/77/606486977.db2.gz MFESPDQXFRMORP-JTQLQIEISA-N -1 1 307.423 2.873 20 0 DFADMM CC(C)CCC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820072868 606486979 /nfs/dbraw/zinc/48/69/79/606486979.db2.gz MFESPDQXFRMORP-JTQLQIEISA-N -1 1 307.423 2.873 20 0 DFADMM CSc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821984658 606497309 /nfs/dbraw/zinc/49/73/09/606497309.db2.gz RHPCJZBENHSUQX-UHFFFAOYSA-N -1 1 317.399 2.902 20 0 DFADMM CSc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821984658 606497310 /nfs/dbraw/zinc/49/73/10/606497310.db2.gz RHPCJZBENHSUQX-UHFFFAOYSA-N -1 1 317.399 2.902 20 0 DFADMM C[C@@H]1CCCC[C@H]1CCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820698712 606563270 /nfs/dbraw/zinc/56/32/70/606563270.db2.gz WIYFALZWEGNXQX-MNOVXSKESA-N -1 1 319.434 2.874 20 0 DFADMM C[C@@H]1CCCC[C@H]1CCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820698712 606563271 /nfs/dbraw/zinc/56/32/71/606563271.db2.gz WIYFALZWEGNXQX-MNOVXSKESA-N -1 1 319.434 2.874 20 0 DFADMM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821034060 606576196 /nfs/dbraw/zinc/57/61/96/606576196.db2.gz IGBXIFZPCLCDSL-GHMZBOCLSA-N -1 1 319.434 2.969 20 0 DFADMM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821034060 606576197 /nfs/dbraw/zinc/57/61/97/606576197.db2.gz IGBXIFZPCLCDSL-GHMZBOCLSA-N -1 1 319.434 2.969 20 0 DFADMM CCC(CC)(CC)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820881618 606761906 /nfs/dbraw/zinc/76/19/06/606761906.db2.gz BWMNKJLMRALAST-UHFFFAOYSA-N -1 1 303.366 2.521 20 0 DFADMM CCC(CC)(CC)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820881618 606761907 /nfs/dbraw/zinc/76/19/07/606761907.db2.gz BWMNKJLMRALAST-UHFFFAOYSA-N -1 1 303.366 2.521 20 0 DFADMM CC(C)CC1(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CCC1 ZINC000820063510 606840565 /nfs/dbraw/zinc/84/05/65/606840565.db2.gz VBQUCAPMHWOECS-UHFFFAOYSA-N -1 1 315.377 2.521 20 0 DFADMM CC(C)CC1(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CCC1 ZINC000820063510 606840567 /nfs/dbraw/zinc/84/05/67/606840567.db2.gz VBQUCAPMHWOECS-UHFFFAOYSA-N -1 1 315.377 2.521 20 0 DFADMM CCC[C@@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000821040174 606875296 /nfs/dbraw/zinc/87/52/96/606875296.db2.gz JJTRCILJQXFVMI-GFCCVEGCSA-N -1 1 323.404 2.826 20 0 DFADMM CCC[C@@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000821040174 606875297 /nfs/dbraw/zinc/87/52/97/606875297.db2.gz JJTRCILJQXFVMI-GFCCVEGCSA-N -1 1 323.404 2.826 20 0 DFADMM CCCOc1cc(F)ccc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000821128659 607131921 /nfs/dbraw/zinc/13/19/21/607131921.db2.gz YTVKQCDUCBUVDQ-UHFFFAOYSA-N -1 1 317.324 3.000 20 0 DFADMM CCCOc1cc(F)ccc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000821128659 607131923 /nfs/dbraw/zinc/13/19/23/607131923.db2.gz YTVKQCDUCBUVDQ-UHFFFAOYSA-N -1 1 317.324 3.000 20 0 DFADMM O=c1c(-c2nn[n-]n2)cn(C/C=C/Cl)c2ccc(Cl)cc12 ZINC000823657960 607168562 /nfs/dbraw/zinc/16/85/62/607168562.db2.gz XRDBDMHDRGJHKN-DAFODLJHSA-N -1 1 322.155 2.588 20 0 DFADMM CC1(C)CCC(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CC1 ZINC000820590533 607211603 /nfs/dbraw/zinc/21/16/03/607211603.db2.gz VWXXTBNGSRENLE-UHFFFAOYSA-N -1 1 315.377 2.727 20 0 DFADMM Fc1cccc(Oc2ncnc3ccsc32)c1-c1nnn[n-]1 ZINC000826377771 607867142 /nfs/dbraw/zinc/86/71/42/607867142.db2.gz FLKAZGZBYFPYDX-UHFFFAOYSA-N -1 1 314.305 2.803 20 0 DFADMM Fc1cccc(Oc2ncnc3ccsc32)c1-c1nn[n-]n1 ZINC000826377771 607867143 /nfs/dbraw/zinc/86/71/43/607867143.db2.gz FLKAZGZBYFPYDX-UHFFFAOYSA-N -1 1 314.305 2.803 20 0 DFADMM CC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1nc2ccccc2[nH]1 ZINC000825149189 607897897 /nfs/dbraw/zinc/89/78/97/607897897.db2.gz WQLSISPOBXCLES-SNVBAGLBSA-N -1 1 320.360 2.701 20 0 DFADMM CC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1nc2ccccc2[nH]1 ZINC000825149189 607897898 /nfs/dbraw/zinc/89/78/98/607897898.db2.gz WQLSISPOBXCLES-SNVBAGLBSA-N -1 1 320.360 2.701 20 0 DFADMM CC[C@@H]1c2ccccc2CCN1c1cccc(-c2nnn[n-]2)n1 ZINC000825219891 607899661 /nfs/dbraw/zinc/89/96/61/607899661.db2.gz NMFHGPSTFZYEJT-OAHLLOKOSA-N -1 1 306.373 2.776 20 0 DFADMM CC[C@@H]1c2ccccc2CCN1c1cccc(-c2nn[n-]n2)n1 ZINC000825219891 607899662 /nfs/dbraw/zinc/89/96/62/607899662.db2.gz NMFHGPSTFZYEJT-OAHLLOKOSA-N -1 1 306.373 2.776 20 0 DFADMM Clc1nsc(NCC23CCC(CC2)C3)c1-c1nnn[n-]1 ZINC000826354180 607935149 /nfs/dbraw/zinc/93/51/49/607935149.db2.gz SAENXPBLYZCGRP-UHFFFAOYSA-N -1 1 310.814 2.969 20 0 DFADMM Clc1nsc(NCC23CCC(CC2)C3)c1-c1nn[n-]n1 ZINC000826354180 607935150 /nfs/dbraw/zinc/93/51/50/607935150.db2.gz SAENXPBLYZCGRP-UHFFFAOYSA-N -1 1 310.814 2.969 20 0 DFADMM CC1(C)CN(c2cccc(-c3nnn[n-]3)n2)Cc2ccccc21 ZINC000824812243 607967145 /nfs/dbraw/zinc/96/71/45/607967145.db2.gz MIHNCERXWUGACF-UHFFFAOYSA-N -1 1 306.373 2.560 20 0 DFADMM CC1(C)CN(c2cccc(-c3nn[n-]n3)n2)Cc2ccccc21 ZINC000824812243 607967146 /nfs/dbraw/zinc/96/71/46/607967146.db2.gz MIHNCERXWUGACF-UHFFFAOYSA-N -1 1 306.373 2.560 20 0 DFADMM CC[C@@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccccc1 ZINC000825038577 607998430 /nfs/dbraw/zinc/99/84/30/607998430.db2.gz FSSZRAWUDLCBKK-CYBMUJFWSA-N -1 1 323.356 2.705 20 0 DFADMM Cc1nc(Sc2snc(Cl)c2-c2nnn[n-]2)oc1C ZINC000826327743 608173976 /nfs/dbraw/zinc/17/39/76/608173976.db2.gz SUCZXMWTABFRBO-UHFFFAOYSA-N -1 1 314.783 2.733 20 0 DFADMM Cc1nc(Sc2snc(Cl)c2-c2nn[n-]n2)oc1C ZINC000826327743 608173978 /nfs/dbraw/zinc/17/39/78/608173978.db2.gz SUCZXMWTABFRBO-UHFFFAOYSA-N -1 1 314.783 2.733 20 0 DFADMM Cc1cccc(C2=CCN(c3cccc(-c4nnn[n-]4)n3)CC2)c1 ZINC000826297830 608194344 /nfs/dbraw/zinc/19/43/44/608194344.db2.gz UOISNZRZOCNPOD-UHFFFAOYSA-N -1 1 318.384 2.864 20 0 DFADMM Cc1cccc(C2=CCN(c3cccc(-c4nn[n-]n4)n3)CC2)c1 ZINC000826297830 608194345 /nfs/dbraw/zinc/19/43/45/608194345.db2.gz UOISNZRZOCNPOD-UHFFFAOYSA-N -1 1 318.384 2.864 20 0 DFADMM C[C@H]1C[C@@H](CNc2cc(-c3nnn[n-]3)nc3ccccc32)CCO1 ZINC000824884039 608195497 /nfs/dbraw/zinc/19/54/97/608195497.db2.gz KRTBCXHJJOMWFP-RYUDHWBXSA-N -1 1 324.388 2.642 20 0 DFADMM C[C@H]1C[C@@H](CNc2cc(-c3nn[n-]n3)nc3ccccc32)CCO1 ZINC000824884039 608195498 /nfs/dbraw/zinc/19/54/98/608195498.db2.gz KRTBCXHJJOMWFP-RYUDHWBXSA-N -1 1 324.388 2.642 20 0 DFADMM Fc1ccc2c(c1)CCC[C@@H]2Nc1cccc(-c2nnn[n-]2)n1 ZINC000826375960 608307101 /nfs/dbraw/zinc/30/71/01/608307101.db2.gz IUZOVXNKTCKOFB-ZDUSSCGKSA-N -1 1 310.336 2.890 20 0 DFADMM Fc1ccc2c(c1)CCC[C@@H]2Nc1cccc(-c2nn[n-]n2)n1 ZINC000826375960 608307102 /nfs/dbraw/zinc/30/71/02/608307102.db2.gz IUZOVXNKTCKOFB-ZDUSSCGKSA-N -1 1 310.336 2.890 20 0 DFADMM CC(C)CCc1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000824248993 608406027 /nfs/dbraw/zinc/40/60/27/608406027.db2.gz GGNLIWCHAZBPON-UHFFFAOYSA-N -1 1 309.377 2.989 20 0 DFADMM CC(C)CCc1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000824248993 608406029 /nfs/dbraw/zinc/40/60/29/608406029.db2.gz GGNLIWCHAZBPON-UHFFFAOYSA-N -1 1 309.377 2.989 20 0 DFADMM CCCCn1ncc(NCc2ccc(-c3nn[n-]n3)s2)c1C ZINC000825302271 608428109 /nfs/dbraw/zinc/42/81/09/608428109.db2.gz ZHIJVAKGOOORAG-UHFFFAOYSA-N -1 1 317.422 2.845 20 0 DFADMM C[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)c2ccccc21 ZINC000824917051 608436689 /nfs/dbraw/zinc/43/66/89/608436689.db2.gz LNQMNIYSKXXBHH-GWCFXTLKSA-N -1 1 307.361 2.707 20 0 DFADMM C[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)c2ccccc21 ZINC000824917051 608436691 /nfs/dbraw/zinc/43/66/91/608436691.db2.gz LNQMNIYSKXXBHH-GWCFXTLKSA-N -1 1 307.361 2.707 20 0 DFADMM Cc1ccc(-c2nn[n-]n2)nc1N(C)Cc1ccc(Cl)cc1 ZINC000826280017 608541323 /nfs/dbraw/zinc/54/13/23/608541323.db2.gz LCMCFJXACSUPCH-UHFFFAOYSA-N -1 1 314.780 2.860 20 0 DFADMM FC(F)CN(Cc1ccc(-c2nn[n-]n2)s1)CC1CCC1 ZINC000826369522 608831821 /nfs/dbraw/zinc/83/18/21/608831821.db2.gz GOAZTICCUQNSCA-UHFFFAOYSA-N -1 1 313.377 2.795 20 0 DFADMM CC1(C)CC(Nc2ccc(-c3nnn[n-]3)nn2)CC(C)(C)C1 ZINC000824788936 609169042 /nfs/dbraw/zinc/16/90/42/609169042.db2.gz DSHYGXUAXUMVEF-UHFFFAOYSA-N -1 1 301.398 2.674 20 0 DFADMM CC1(C)CC(Nc2ccc(-c3nn[n-]n3)nn2)CC(C)(C)C1 ZINC000824788936 609169043 /nfs/dbraw/zinc/16/90/43/609169043.db2.gz DSHYGXUAXUMVEF-UHFFFAOYSA-N -1 1 301.398 2.674 20 0 DFADMM Fc1ccc(CCOc2cccc(F)c2-c2nnn[n-]2)cc1F ZINC000826374066 609329636 /nfs/dbraw/zinc/32/96/36/609329636.db2.gz KEDSZTJGFCJPNP-UHFFFAOYSA-N -1 1 320.274 2.906 20 0 DFADMM Fc1ccc(CCOc2cccc(F)c2-c2nn[n-]n2)cc1F ZINC000826374066 609329638 /nfs/dbraw/zinc/32/96/38/609329638.db2.gz KEDSZTJGFCJPNP-UHFFFAOYSA-N -1 1 320.274 2.906 20 0 DFADMM CC(C)(C)C1CCC(Cn2cccc(-c3nn[n-]n3)c2=O)CC1 ZINC000824080424 609377428 /nfs/dbraw/zinc/37/74/28/609377428.db2.gz WZFQGWWGPULKDY-UHFFFAOYSA-N -1 1 315.421 2.881 20 0 DFADMM