smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccncc1)C(C(=O)OC)=C(C)N2 ZINC000004292267 204036550 /nfs/dbraw/zinc/03/65/50/204036550.db2.gz ACIWYLBUAQPHHI-AWEZNQCLSA-N -1 1 386.477 3.062 50 0 GGAAMM CCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccncc1)C(C(=O)OCC)=C(C)N2 ZINC000004292282 204036664 /nfs/dbraw/zinc/03/66/64/204036664.db2.gz YGDRPWYWAXOPNI-CQSZACIVSA-N -1 1 386.477 3.062 50 0 GGAAMM CC(=O)Oc1ccccc1C(=O)[N-]C(=O)/C(Br)=C/c1ccccc1 ZINC000004065814 204027033 /nfs/dbraw/zinc/02/70/33/204027033.db2.gz SRVLTJWVOFETLD-PTNGSMBKSA-N -1 1 388.217 3.304 50 0 GGAAMM O=C(C=C1SC(=O)[N-]C1=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000004387560 204043310 /nfs/dbraw/zinc/04/33/10/204043310.db2.gz RXOCZFMJUVFWRU-WDZFZDKYSA-N -1 1 379.850 3.193 50 0 GGAAMM O=S(=O)([N-]c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccccc1 ZINC000004731379 204068980 /nfs/dbraw/zinc/06/89/80/204068980.db2.gz PWXJZXUQZXJAOV-UHFFFAOYSA-N -1 1 394.518 3.052 50 0 GGAAMM CCOC(=O)NCCc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000004727639 204069837 /nfs/dbraw/zinc/06/98/37/204069837.db2.gz GTJNRKJMOIPLAI-UHFFFAOYSA-N -1 1 376.478 3.393 50 0 GGAAMM Cc1nnc2sc(-c3ccc(C[N-]C(=O)C(Cl)(Cl)Cl)cc3)nn12 ZINC000004739178 204071303 /nfs/dbraw/zinc/07/13/03/204071303.db2.gz HFZAGMHZORYFQG-UHFFFAOYSA-N -1 1 390.683 3.148 50 0 GGAAMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3cccnc3)ccc2C)cc1 ZINC000004742502 204071643 /nfs/dbraw/zinc/07/16/43/204071643.db2.gz BOTSTVSJFTXAMF-UHFFFAOYSA-N -1 1 395.484 3.429 50 0 GGAAMM COc1ccccc1CCNC(=O)Cc1c(C)c2c([O-])cc(C)cc2oc1=O ZINC000004743250 204071729 /nfs/dbraw/zinc/07/17/29/204071729.db2.gz XORTZUBXCDXGAG-UHFFFAOYSA-N -1 1 381.428 3.025 50 0 GGAAMM CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1 ZINC000004742189 204071851 /nfs/dbraw/zinc/07/18/51/204071851.db2.gz YSZLLCUOVCDWLF-UHFFFAOYSA-N -1 1 380.422 3.073 50 0 GGAAMM Cc1cc(=O)[n-]c(SCc2nc3ccccc3c(=O)n2-c2ccccc2C)n1 ZINC000004846051 204081976 /nfs/dbraw/zinc/08/19/76/204081976.db2.gz VXEXXKUKOUMAOH-UHFFFAOYSA-N -1 1 390.468 3.378 50 0 GGAAMM Cn1c(SCC(=O)NC2CCCCC2)nnc1-c1cc(Cl)ccc1[O-] ZINC000004841273 204082392 /nfs/dbraw/zinc/08/23/92/204082392.db2.gz OCKFPVNMULRFJM-UHFFFAOYSA-N -1 1 380.901 3.382 50 0 GGAAMM CCOc1ccc2nc(SCC(=O)Nc3ccc(CC(=O)[O-])cc3)[nH]c2c1 ZINC000004626564 204058337 /nfs/dbraw/zinc/05/83/37/204058337.db2.gz XYHNLHKVVPUDLV-UHFFFAOYSA-N -1 1 385.445 3.320 50 0 GGAAMM O=C([O-])C[C@@H](NCc1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000004688977 204064650 /nfs/dbraw/zinc/06/46/50/204064650.db2.gz YOAIUSVFDHGYRN-MRXNPFEDSA-N -1 1 381.457 3.382 50 0 GGAAMM COc1ccc(-c2ccc([N-]S(=O)(=O)c3ccc(C(C)=O)cc3)cc2)nn1 ZINC000005204242 204119891 /nfs/dbraw/zinc/11/98/91/204119891.db2.gz YBELBGPTWOMLRR-UHFFFAOYSA-N -1 1 383.429 3.156 50 0 GGAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(OC)c2)cc1 ZINC000005329368 204125585 /nfs/dbraw/zinc/12/55/85/204125585.db2.gz RVZSGHTWRWQYBC-UHFFFAOYSA-N -1 1 390.461 3.022 50 0 GGAAMM COc1ccc(Cl)cc1NC(=O)CSc1nc2c(c(=O)[n-]1)CCCC2 ZINC000004955334 204096422 /nfs/dbraw/zinc/09/64/22/204096422.db2.gz SWMUXZHKSUKOJP-UHFFFAOYSA-N -1 1 379.869 3.042 50 0 GGAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccco3)c2)cc1 ZINC000006196236 204170082 /nfs/dbraw/zinc/17/00/82/204170082.db2.gz HVCKQVDZLSJTRQ-UHFFFAOYSA-N -1 1 399.428 3.291 50 0 GGAAMM COc1ccc(C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2nn[n-]n2)cc1 ZINC000005484077 204136337 /nfs/dbraw/zinc/13/63/37/204136337.db2.gz LVEIYBBDLNVAIY-OAHLLOKOSA-N -1 1 391.353 3.192 50 0 GGAAMM CCNC(=S)NNc1nc2c(c(=O)[n-]1)C1(CCCCC1)Cc1ccccc1-2 ZINC000006783724 204204386 /nfs/dbraw/zinc/20/43/86/204204386.db2.gz XNAFGBWAAKVHCF-UHFFFAOYSA-N -1 1 383.521 3.006 50 0 GGAAMM Cc1cc2c([n-]c(=S)n(NC(=O)CSCc3ccc(F)cc3)c2=O)s1 ZINC000006787676 204205963 /nfs/dbraw/zinc/20/59/63/204205963.db2.gz NBHIZSMFCHSCMP-UHFFFAOYSA-N -1 1 395.506 3.198 50 0 GGAAMM O=C(C=C1SC(=O)[N-]C1=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000006584098 204185335 /nfs/dbraw/zinc/18/53/35/204185335.db2.gz ROHDPEDVLFFYSY-WDZFZDKYSA-N -1 1 379.850 3.193 50 0 GGAAMM COc1cc(NC(=O)Cc2c(C)c3c([O-])cc(C)cc3oc2=O)cc(OC)c1 ZINC000006661097 204190010 /nfs/dbraw/zinc/19/00/10/204190010.db2.gz LHRYZLKUASQCPN-UHFFFAOYSA-N -1 1 383.400 3.314 50 0 GGAAMM Cc1cc(=O)[n-]c(SCC(=O)Nc2ccc(Br)c(C)c2C)n1 ZINC000006700682 204192757 /nfs/dbraw/zinc/19/27/57/204192757.db2.gz YVCOAHMHGIXUNU-UHFFFAOYSA-N -1 1 382.283 3.188 50 0 GGAAMM Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)n(-c2nc(C)c(C)c(=O)[n-]2)n1 ZINC000007420876 204241451 /nfs/dbraw/zinc/24/14/51/204241451.db2.gz BKRALRYHZXPUIM-UHFFFAOYSA-N -1 1 379.464 3.431 50 0 GGAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)sc(=O)n3C)cc1Cl ZINC000008610921 204282393 /nfs/dbraw/zinc/28/23/93/204282393.db2.gz GBPQEOLGVPQFBQ-UHFFFAOYSA-N -1 1 384.866 3.063 50 0 GGAAMM CCOc1ccc([C@@H]2CC(=O)Nc3nc(-c4ccccc4)[n-]c(=O)c32)cc1OC ZINC000008743023 204287633 /nfs/dbraw/zinc/28/76/33/204287633.db2.gz GEPDOXDMCHVZRO-HNNXBMFYSA-N -1 1 391.427 3.318 50 0 GGAAMM CCCSc1nc2c(c(=O)[n-]1)[C@H](c1cccc(F)c1)C(C(=O)OC)=C(C)N2 ZINC000008132283 204262755 /nfs/dbraw/zinc/26/27/55/204262755.db2.gz ILRHSJFVBRFXBB-CQSZACIVSA-N -1 1 389.452 3.416 50 0 GGAAMM COCCN1CCCc2ccc([N-]S(=O)(=O)c3ccc(OC)c(F)c3)cc21 ZINC000035588235 204263551 /nfs/dbraw/zinc/26/35/51/204263551.db2.gz ZBFKDQHHKYDSBE-UHFFFAOYSA-N -1 1 394.468 3.034 50 0 GGAAMM O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(C=C2SC(=O)[N-]C2=O)cc1 ZINC000009347935 204308148 /nfs/dbraw/zinc/30/81/48/204308148.db2.gz KNQMYXASRIMELH-SXGWCWSVSA-N -1 1 392.392 3.369 50 0 GGAAMM COc1cccc(-c2cc(=O)[n-]c(Nc3nc(C)c4cccc(OC)c4n3)n2)c1 ZINC000010157432 204331500 /nfs/dbraw/zinc/33/15/00/204331500.db2.gz MVKDDNWRINWMIA-UHFFFAOYSA-N -1 1 389.415 3.449 50 0 GGAAMM CC(=O)c1ccc(N2CCN([C@H](C(=O)[O-])c3c[nH]c4ccccc43)CC2)cc1 ZINC000012321939 204397621 /nfs/dbraw/zinc/39/76/21/204397621.db2.gz AAIZOYBFTWQFQX-NRFANRHFSA-N -1 1 377.444 3.318 50 0 GGAAMM COc1ccccc1/N=c1\oc2cc([O-])ccc2cc1C(=O)NC[C@@H]1CCCO1 ZINC000013426973 204490614 /nfs/dbraw/zinc/49/06/14/204490614.db2.gz ZUQOTSUCEFVBFP-DYYXWGBJSA-N -1 1 394.427 3.288 50 0 GGAAMM COc1cccc(-c2noc(-c3ccc(S(=O)(=O)[N-]C(C)(C)C)o3)n2)c1 ZINC000036354105 205012076 /nfs/dbraw/zinc/01/20/76/205012076.db2.gz UYYDCPZDBBPIJM-UHFFFAOYSA-N -1 1 377.422 3.082 50 0 GGAAMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CS3)cc1 ZINC000036365364 205015458 /nfs/dbraw/zinc/01/54/58/205015458.db2.gz RPLFFPYVCYAGRT-UHFFFAOYSA-N -1 1 377.447 3.140 50 0 GGAAMM O=C([O-])c1cccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2cccc(F)c2)c1 ZINC000040268001 205061225 /nfs/dbraw/zinc/06/12/25/205061225.db2.gz VTNXDVZLCSBBAX-SFHVURJKSA-N -1 1 380.379 3.427 50 0 GGAAMM Cc1nc(N2CCCC2)ncc1-c1cc(=O)[n-]c(N2c3ccccc3C[C@@H]2C)n1 ZINC000040389116 205062576 /nfs/dbraw/zinc/06/25/76/205062576.db2.gz IKSIVXHICUHEPG-AWEZNQCLSA-N -1 1 388.475 3.218 50 0 GGAAMM COc1ccccc1[C@H]1CNC(=O)c2[n-]c(C(=O)Nc3ccccc3C)nc2C1 ZINC000065375319 205231788 /nfs/dbraw/zinc/23/17/88/205231788.db2.gz PGZLPDXIQKQBTL-CQSZACIVSA-N -1 1 390.443 3.049 50 0 GGAAMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(CN2CCOCC2)cc1 ZINC000067207139 205242181 /nfs/dbraw/zinc/24/21/81/205242181.db2.gz SCXDYEMIRCLHSY-UHFFFAOYSA-N -1 1 380.897 3.281 50 0 GGAAMM COc1ccc(CC[C@@H]2CCCN(C(=O)c3cnc(C(C)C)[n-]c3=O)C2)cc1 ZINC000071415717 205284248 /nfs/dbraw/zinc/28/42/48/205284248.db2.gz DYHRRYILZKBSJZ-KRWDZBQOSA-N -1 1 383.492 3.387 50 0 GGAAMM Cc1ccc2n[nH]c(C(=O)N3CCC[C@@](Cc4ccccc4)(C(=O)[O-])C3)c2c1 ZINC000071715013 205287989 /nfs/dbraw/zinc/28/79/89/205287989.db2.gz QJAMRHBASFGQAO-QFIPXVFZSA-N -1 1 377.444 3.421 50 0 GGAAMM Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1ccc([O-])c(Cl)c1)CC(=O)N2 ZINC000071283011 205279198 /nfs/dbraw/zinc/27/91/98/205279198.db2.gz IWPHESQECAJZJO-VXGBXAGGSA-N -1 1 395.868 3.034 50 0 GGAAMM Cc1[n-][nH]c(=O)c1CC(=O)N1CCC[C@H](C(=O)c2ccc3ccccc3c2)C1 ZINC000072127420 205307589 /nfs/dbraw/zinc/30/75/89/205307589.db2.gz CWEUSDBOTIAWKM-SFHVURJKSA-N -1 1 377.444 3.241 50 0 GGAAMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@]2(CCC(=O)N(CC3CC3)C2)C1 ZINC000077505648 205363543 /nfs/dbraw/zinc/36/35/43/205363543.db2.gz XHIBBNITLGPSLB-HXUWFJFHSA-N -1 1 376.884 3.300 50 0 GGAAMM COc1ccc2cc([C@@H]3SC(C)=Nc4c3c(=O)[n-]n4C(C)C)c(=O)[nH]c2c1 ZINC000072400361 205343047 /nfs/dbraw/zinc/34/30/47/205343047.db2.gz IZMOYIDNCFTUDG-INIZCTEOSA-N -1 1 384.461 3.494 50 0 GGAAMM COCc1nnc([N-]C(=O)c2ccc(CSc3nc(C)cc(C)n3)o2)s1 ZINC000079484220 205384391 /nfs/dbraw/zinc/38/43/91/205384391.db2.gz SVYHXVRTAAXSJS-UHFFFAOYSA-N -1 1 391.478 3.229 50 0 GGAAMM COc1ccc(O)cc1CN1CCC(Oc2cc(C)ccc2F)(C(=O)[O-])CC1 ZINC000082087697 205385851 /nfs/dbraw/zinc/38/58/51/205385851.db2.gz PIUKJSUYCARLKE-UHFFFAOYSA-N -1 1 389.423 3.347 50 0 GGAAMM Nc1ncccc1CN1CCC(Oc2ccc3ccccc3c2)(C(=O)[O-])CC1 ZINC000082121964 205386935 /nfs/dbraw/zinc/38/69/35/205386935.db2.gz GEFSIQRDXGOWNY-UHFFFAOYSA-N -1 1 377.444 3.315 50 0 GGAAMM O=C([O-])c1cccc([C@H]2CCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)c1 ZINC000095364603 205443964 /nfs/dbraw/zinc/44/39/64/205443964.db2.gz DCKJPPKSXCXKAT-KRWDZBQOSA-N -1 1 376.416 3.190 50 0 GGAAMM Cc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)cc1Cl ZINC000005153596 205762287 /nfs/dbraw/zinc/76/22/87/205762287.db2.gz POBMUXZKRIRUDO-UHFFFAOYSA-N -1 1 376.865 3.285 50 0 GGAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2cccnc2)CC3)cc1 ZINC000011691809 205867918 /nfs/dbraw/zinc/86/79/18/205867918.db2.gz QIVQNWPIFGNZFI-UHFFFAOYSA-N -1 1 393.468 3.394 50 0 GGAAMM O=C(Cc1c(=O)[n-]n2c1[nH]c(-c1cccc(Cl)c1)cc2=O)c1ccccc1 ZINC000095831058 206113122 /nfs/dbraw/zinc/11/31/22/206113122.db2.gz ZAZMSVKNAJWBQA-UHFFFAOYSA-N -1 1 379.803 3.062 50 0 GGAAMM Cn1nccc1[C@@H]1CC(=O)Oc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c21 ZINC000096115094 206117113 /nfs/dbraw/zinc/11/71/13/206117113.db2.gz AVANTEYYBLFFBU-ZDUSSCGKSA-N -1 1 388.379 3.340 50 0 biogenic GGAAMM Cn1nccc1[C@@H]1CC(=O)Oc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c21 ZINC000096115094 206117117 /nfs/dbraw/zinc/11/71/17/206117117.db2.gz AVANTEYYBLFFBU-ZDUSSCGKSA-N -1 1 388.379 3.340 50 0 biogenic GGAAMM COC(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2C1 ZINC000096096307 206117452 /nfs/dbraw/zinc/11/74/52/206117452.db2.gz QCPKATPRZCCCFI-UHFFFAOYSA-N -1 1 398.843 3.404 50 0 GGAAMM COC(=O)C[C@H](c1c(Cc2ccccc2)[n-][nH]c1=O)c1ccc(OC)c(O)c1 ZINC000096116422 206117599 /nfs/dbraw/zinc/11/75/99/206117599.db2.gz VDIGVSGRDZVFIQ-HNNXBMFYSA-N -1 1 382.416 3.115 50 0 biogenic GGAAMM Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1c(C)nc2[n-]cnn2c1=O ZINC000008584575 206223807 /nfs/dbraw/zinc/22/38/07/206223807.db2.gz PLWXRVKAPDLVLD-UHFFFAOYSA-N -1 1 384.783 3.007 50 0 GGAAMM COc1ccc(Cc2c(C)nc(N3CCN(c4ccccc4)CC3)[n-]c2=O)cc1 ZINC000004818490 206215218 /nfs/dbraw/zinc/21/52/18/206215218.db2.gz POWKBWTYFDBCJQ-UHFFFAOYSA-N -1 1 390.487 3.004 50 0 GGAAMM O=C([O-])c1csc(N2[NH2+]C(C=Cc3ccccc3O)=C[C@]2([O-])C(F)(F)F)n1 ZINC000005243360 206216068 /nfs/dbraw/zinc/21/60/68/206216068.db2.gz MKUQNBINBBAYKZ-NFAHFFEMSA-N -1 1 399.350 3.077 50 0 GGAAMM CN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(Br)cc3)ccc21 ZINC000009828249 221091368 /nfs/dbraw/zinc/09/13/68/221091368.db2.gz BJPNGUMYVJXWQY-UHFFFAOYSA-N -1 1 395.278 3.159 50 0 GGAAMM COc1ccccc1Nc1nc(-c2cnc(N3CCCCC3)nc2C)cc(=O)[n-]1 ZINC000039383631 132390905 /nfs/dbraw/zinc/39/09/05/132390905.db2.gz OYCVHLXWOPEBSE-UHFFFAOYSA-N -1 1 392.463 3.278 50 0 GGAAMM O=C([O-])C1(Oc2ccc3ccccc3c2)CCN(c2ncnc3[nH]cnc32)CC1 ZINC000082139159 136174077 /nfs/dbraw/zinc/17/40/77/136174077.db2.gz RWCQPPHRAZADIR-UHFFFAOYSA-N -1 1 389.415 3.009 50 0 GGAAMM CNc1nc(C)cc(N2CCC(Oc3ccc4ccccc4c3)(C(=O)[O-])CC2)n1 ZINC000082156090 136174186 /nfs/dbraw/zinc/17/41/86/136174186.db2.gz PCBGIIOVVQTPGC-UHFFFAOYSA-N -1 1 392.459 3.483 50 0 GGAAMM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(N2CCC[C@@H](OC)C2)cc1 ZINC000096122521 136183872 /nfs/dbraw/zinc/18/38/72/136183872.db2.gz BHMWDROUPZYQSA-GOSISDBHSA-N -1 1 390.505 3.420 50 0 GGAAMM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(N2CCC[C@H](OC)C2)cc1 ZINC000096122520 136183883 /nfs/dbraw/zinc/18/38/83/136183883.db2.gz BHMWDROUPZYQSA-SFHVURJKSA-N -1 1 390.505 3.420 50 0 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393.447 3.311 50 0 GGAAMM CCN(CCOc1cccc(C)c1)C(=O)c1cnc(-c2ccccc2)[n-]c1=O ZINC000091745937 208135742 /nfs/dbraw/zinc/13/57/42/208135742.db2.gz ZYKZUQCHDQPTLZ-UHFFFAOYSA-N -1 1 377.444 3.286 50 0 GGAAMM COc1ccc([C@@H](NC(=O)c2cnc(-c3cccnc3)[n-]c2=O)C2CC2)cc1 ZINC000091325719 208113714 /nfs/dbraw/zinc/11/37/14/208113714.db2.gz RXYZYQLCCZHPDN-SFHVURJKSA-N -1 1 376.416 3.134 50 0 GGAAMM Cc1csc([C@@H](C)N(C)C(=O)c2cnc(-c3csc(C)n3)[n-]c2=O)n1 ZINC000091410477 208118411 /nfs/dbraw/zinc/11/84/11/208118411.db2.gz WTTAECZZRLYNCH-SECBINFHSA-N -1 1 375.479 3.212 50 0 GGAAMM Cc1ccccc1OCCCN(C)C(=O)c1cnc(-c2cccnc2)[n-]c1=O ZINC000092037786 208147659 /nfs/dbraw/zinc/14/76/59/208147659.db2.gz SHYMSJIKMXAENL-UHFFFAOYSA-N -1 1 378.432 3.094 50 0 GGAAMM Cc1ccc(-c2ncc(C(=O)N(C)[C@@H](C)Cc3ncccc3C)c(=O)[n-]2)cc1 ZINC000092062067 208148019 /nfs/dbraw/zinc/14/80/19/208148019.db2.gz NQNDPSJXWXPCAM-INIZCTEOSA-N -1 1 376.460 3.152 50 0 GGAAMM CC1=Nc2c(c(=O)[n-]n2C2CCOCC2)[C@H](c2cc3ccccc3[nH]c2=O)S1 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GGAAMM CCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(OC)c(F)c3)cc21 ZINC000012180570 136200001 /nfs/dbraw/zinc/20/00/01/136200001.db2.gz KVKLKZFSVSLWCN-UHFFFAOYSA-N -1 1 392.452 3.324 50 0 GGAAMM COCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000021756780 536766227 /nfs/dbraw/zinc/76/62/27/536766227.db2.gz DVOFVCCEBYJLDL-UHFFFAOYSA-N -1 1 394.880 3.066 50 0 GGAAMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1C ZINC000001128980 564183125 /nfs/dbraw/zinc/18/31/25/564183125.db2.gz IWQLQTFRUNPOEZ-UHFFFAOYSA-N -1 1 384.251 3.345 50 0 GGAAMM COc1cc(OC)c(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1Cl ZINC000003211049 564194232 /nfs/dbraw/zinc/19/42/32/564194232.db2.gz SAISACWFXXLVFM-UHFFFAOYSA-N -1 1 385.825 3.165 50 0 GGAAMM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(Br)cc3)ccc2o1 ZINC000004744820 564206211 /nfs/dbraw/zinc/20/62/11/564206211.db2.gz OHHYKZVLCYEZFX-UHFFFAOYSA-N -1 1 380.219 3.356 50 0 GGAAMM CCSc1nnc([N-]C(=O)c2cc3c(nc4ccccn4c3=O)s2)s1 ZINC000006791049 564228009 /nfs/dbraw/zinc/22/80/09/564228009.db2.gz PWYPFSGXGYVMLV-UHFFFAOYSA-N -1 1 389.487 3.125 50 0 GGAAMM CCC(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1 ZINC000008976974 564251910 /nfs/dbraw/zinc/25/19/10/564251910.db2.gz KLOJGGUVPGDYDG-UHFFFAOYSA-N -1 1 378.881 3.436 50 0 GGAAMM COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nc2c(c(=O)[n-]1)CCC2 ZINC000011902910 564266230 /nfs/dbraw/zinc/26/62/30/564266230.db2.gz IURFRMJNPQSIMM-SECBINFHSA-N -1 1 379.869 3.040 50 0 GGAAMM O=C(CSc1nc(O)cc(=O)[n-]1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013424583 564276340 /nfs/dbraw/zinc/27/63/40/564276340.db2.gz NKVHRRHEAOIQCJ-UHFFFAOYSA-N -1 1 379.747 3.291 50 0 GGAAMM O=C(C1CC1)N1CCc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000013696950 564278258 /nfs/dbraw/zinc/27/82/58/564278258.db2.gz CLALQEPXIKKLPA-UHFFFAOYSA-N -1 1 376.865 3.440 50 0 GGAAMM O=C1CCc2cc([N-]S(=O)(=O)c3ccc(Br)cc3)ccc2N1 ZINC000017156398 564297054 /nfs/dbraw/zinc/29/70/54/564297054.db2.gz XOWRGXWMCSFWCO-UHFFFAOYSA-N -1 1 381.251 3.135 50 0 GGAAMM COc1ccc(NCc2nn(Cc3ccc(Br)cc3)c(=O)[n-]2)cc1 ZINC000040287537 564427071 /nfs/dbraw/zinc/42/70/71/564427071.db2.gz RJNJYJIGDZZYHQ-UHFFFAOYSA-N -1 1 389.253 3.003 50 0 GGAAMM O=S(=O)([N-]C[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(Cl)s1 ZINC000070762689 564851449 /nfs/dbraw/zinc/85/14/49/564851449.db2.gz RXBABPXTJAXCKQ-GFCCVEGCSA-N -1 1 385.816 3.130 50 0 GGAAMM O=C1C[C@H](C[N-]S(=O)(=O)c2cc(Cl)c(Cl)s2)CN1C1CCCC1 ZINC000670444931 566361560 /nfs/dbraw/zinc/36/15/60/566361560.db2.gz XGNDMXFQFIPUHQ-SECBINFHSA-N -1 1 397.349 3.124 50 0 GGAAMM Cc1nc(SCC(=O)N(c2ccccc2)c2ccccc2)[n-]c(=O)c1CCO ZINC000011848515 570226906 /nfs/dbraw/zinc/22/69/06/570226906.db2.gz MRPVUIFYQYTUMQ-UHFFFAOYSA-N -1 1 395.484 3.070 50 0 GGAAMM Cc1nc(SCC(=O)N(C)c2ccccc2)[n-]c(=O)c1Cc1ccccc1 ZINC000011905611 570227738 /nfs/dbraw/zinc/22/77/38/570227738.db2.gz AUBMITOJQLMMPL-UHFFFAOYSA-N -1 1 379.485 3.424 50 0 GGAAMM Cc1nc(N2CCN(c3ccccc3)CC2)[n-]c(=O)c1CCOc1ccccc1 ZINC000004818488 570242262 /nfs/dbraw/zinc/24/22/62/570242262.db2.gz HLHSCZYDYGGPEB-UHFFFAOYSA-N -1 1 390.487 3.026 50 0 GGAAMM Cc1ccc([C@@H]2c3c(=O)[nH][n-]c3C[C@@](C)(O)[C@H]2C(=O)OCc2ccccc2)cc1 ZINC000101964890 570256330 /nfs/dbraw/zinc/25/63/30/570256330.db2.gz KIBMSAIFQDESQK-KKLQWCBXSA-N -1 1 392.455 3.222 50 0 GGAAMM CCNC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421107 570267312 /nfs/dbraw/zinc/26/73/12/570267312.db2.gz RWCSKXCCBJFMSE-AWEZNQCLSA-N -1 1 382.489 3.004 50 0 GGAAMM CCOc1ccc(C(=O)Nc2cc(C)nn2-c2nc(C)cc(=O)[n-]2)cc1OCC ZINC000015881320 570282801 /nfs/dbraw/zinc/28/28/01/570282801.db2.gz CNAHZZULLTXVCW-UHFFFAOYSA-N -1 1 397.435 3.034 50 0 GGAAMM COc1cc(NC(=O)Cc2c(C)c3ccc([O-])cc3oc2=O)cc(OC)c1OC ZINC000012902196 570288759 /nfs/dbraw/zinc/28/87/59/570288759.db2.gz IUVNFDCCIONVLD-UHFFFAOYSA-N -1 1 399.399 3.014 50 0 biogenic GGAAMM Cc1nn(CC[N-]S(=O)(=O)c2cc(F)ccc2F)c(C)c1-c1ccsc1 ZINC000575615588 570354198 /nfs/dbraw/zinc/35/41/98/570354198.db2.gz QZVIPSMCMXCETO-UHFFFAOYSA-N -1 1 397.472 3.485 50 0 GGAAMM COCc1oc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2c1C(=O)OC ZINC000004148274 570359927 /nfs/dbraw/zinc/35/99/27/570359927.db2.gz DZQUZQCDXALPKV-UHFFFAOYSA-N -1 1 389.429 3.475 50 0 GGAAMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)cc(C(=O)OCC)c1 ZINC000006315250 570376705 /nfs/dbraw/zinc/37/67/05/570376705.db2.gz GDNOYAIKJVPMGJ-UHFFFAOYSA-N -1 1 391.445 3.149 50 0 GGAAMM COc1ccc(C(=O)N2CCc3nc(-c4ccc(C(=O)[O-])cc4)[nH]c3C2)cc1C ZINC000220513240 570387818 /nfs/dbraw/zinc/38/78/18/570387818.db2.gz UIQZHGTWLGFHIO-UHFFFAOYSA-N -1 1 391.427 3.290 50 0 GGAAMM COc1ccccc1NC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccs2)o1 ZINC000035597570 570400323 /nfs/dbraw/zinc/40/03/23/570400323.db2.gz MNUDSXNNIKSDDP-UHFFFAOYSA-N -1 1 392.458 3.081 50 0 GGAAMM CC1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2O1 ZINC000004776519 570404969 /nfs/dbraw/zinc/40/49/69/570404969.db2.gz BILWRLFCYZMUGV-UHFFFAOYSA-N -1 1 388.445 3.122 50 0 GGAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccn3)cc2)cc1 ZINC000004809238 570406690 /nfs/dbraw/zinc/40/66/90/570406690.db2.gz LWGWRPFOUDCBQM-UHFFFAOYSA-N -1 1 381.457 3.121 50 0 GGAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3cccnc3)cc2)cc1 ZINC000004809115 570406701 /nfs/dbraw/zinc/40/67/01/570406701.db2.gz OOAOMXQSZRWOCC-UHFFFAOYSA-N -1 1 381.457 3.121 50 0 GGAAMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3cccnc3)ccc2C)c1 ZINC000004809473 570406955 /nfs/dbraw/zinc/40/69/55/570406955.db2.gz XSZQUGNMORQETR-UHFFFAOYSA-N -1 1 395.484 3.429 50 0 GGAAMM Cc1cc(C)n(-c2nc3sc4c(c3c3n[n-]c(=S)n32)CC(C)(C)OC4)n1 ZINC000004820616 570408660 /nfs/dbraw/zinc/40/86/60/570408660.db2.gz FOJGKDDMQZAZAI-UHFFFAOYSA-N -1 1 386.506 3.282 50 0 GGAAMM O=C(CSc1nc(-c2ccccc2)cc(=O)[n-]1)NCc1ccccc1Cl ZINC000005154884 570429295 /nfs/dbraw/zinc/42/92/95/570429295.db2.gz ZGHXBTQKWLWCRE-UHFFFAOYSA-N -1 1 385.876 3.499 50 0 GGAAMM CCOC(=O)[C@@]1(C)C=C(Nc2ccccc2C(=O)[O-])C(=O)N1c1ccccc1 ZINC000001823489 570436457 /nfs/dbraw/zinc/43/64/57/570436457.db2.gz SKJHLTIMOZUVFU-OAQYLSRUSA-N -1 1 380.400 3.049 50 0 GGAAMM Cc1cc(=O)[n-]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(F)cc2)n1 ZINC000011854386 570439128 /nfs/dbraw/zinc/43/91/28/570439128.db2.gz GZRIBOQSWCKMHY-UHFFFAOYSA-N -1 1 395.419 3.384 50 0 GGAAMM COc1ccc(C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2nn[n-]n2)cc1 ZINC000005484061 570441675 /nfs/dbraw/zinc/44/16/75/570441675.db2.gz LVEIYBBDLNVAIY-HNNXBMFYSA-N -1 1 391.353 3.192 50 0 GGAAMM Cc1cc(=O)[n-]c(-n2nc(-c3ccco3)cc2NC(=O)c2ccc(F)c(F)c2)n1 ZINC000012006286 570453948 /nfs/dbraw/zinc/45/39/48/570453948.db2.gz PRCZPYUSZDBSTQ-UHFFFAOYSA-N -1 1 397.341 3.055 50 0 GGAAMM O=C(CC1CCCC1)Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[n-]1)CCC2 ZINC000012009559 570454376 /nfs/dbraw/zinc/45/43/76/570454376.db2.gz WPWVTOYMYXDCEO-UHFFFAOYSA-N -1 1 393.447 3.223 50 0 GGAAMM Cc1cc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)no1 ZINC000005184690 570497308 /nfs/dbraw/zinc/49/73/08/570497308.db2.gz RCXXNSLDCAKBGH-UHFFFAOYSA-N -1 1 375.381 3.175 50 0 GGAAMM COc1cccc(NCc2nn(Cc3ccc(OC(F)(F)F)cc3)c(=O)[n-]2)c1 ZINC000061718359 570501566 /nfs/dbraw/zinc/50/15/66/570501566.db2.gz UFVOCVCPWFXIPI-UHFFFAOYSA-N -1 1 394.353 3.139 50 0 GGAAMM COc1cccc(NCc2nn(Cc3cccc(C(F)(F)F)c3)c(=O)[n-]2)c1 ZINC000061718602 570501585 /nfs/dbraw/zinc/50/15/85/570501585.db2.gz WDMTVJXBUNISJY-UHFFFAOYSA-N -1 1 378.354 3.259 50 0 GGAAMM CCOc1ccc(-c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2)nn1 ZINC000005204311 570506102 /nfs/dbraw/zinc/50/61/02/570506102.db2.gz HXBYLSOLDSXBOI-UHFFFAOYSA-N -1 1 385.445 3.352 50 0 GGAAMM COc1ccc(-c2nc3c4cnn(-c5cc(C)ccc5C)c4ncn3n2)c([O-])c1 ZINC000005204459 570506131 /nfs/dbraw/zinc/50/61/31/570506131.db2.gz WMUIXKACEHVTNA-UHFFFAOYSA-N -1 1 386.415 3.461 50 0 GGAAMM Cc1cc([O-])c2c(C)c(CC(=O)N3CCN(c4ccccc4)CC3)c(=O)oc2c1 ZINC000006660749 570524450 /nfs/dbraw/zinc/52/44/50/570524450.db2.gz IAXJSETZDMIKAJ-UHFFFAOYSA-N -1 1 392.455 3.007 50 0 GGAAMM CCOc1ccc([C@H]2CC(=O)Nc3nc(-c4ccccc4)[n-]c(=O)c32)cc1OC ZINC000008743024 570538842 /nfs/dbraw/zinc/53/88/42/570538842.db2.gz GEPDOXDMCHVZRO-OAHLLOKOSA-N -1 1 391.427 3.318 50 0 GGAAMM O=S(=O)([N-]c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccccc1 ZINC000004818010 570540605 /nfs/dbraw/zinc/54/06/05/570540605.db2.gz NPDXELKJBXATGY-UHFFFAOYSA-N -1 1 394.518 3.052 50 0 GGAAMM Nc1nc(SCc2nc(-c3ccccc3)no2)[n-]c(=O)c1-c1ccccc1 ZINC000008828776 570542334 /nfs/dbraw/zinc/54/23/34/570542334.db2.gz MYEAMKILHUMIKN-UHFFFAOYSA-N -1 1 377.429 3.361 50 0 GGAAMM O=C([O-])[C@H](CC(=O)c1ccc(F)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000005331307 570555588 /nfs/dbraw/zinc/55/55/88/570555588.db2.gz TZZGQUCECDHPIF-SFHVURJKSA-N -1 1 390.842 3.327 50 0 GGAAMM COc1ccc2nc(Nc3nc(-c4ccccc4OC)cc(=O)[n-]3)nc(C)c2c1 ZINC000010157426 570566389 /nfs/dbraw/zinc/56/63/89/570566389.db2.gz JBJYHARDTUAIEL-UHFFFAOYSA-N -1 1 389.415 3.449 50 0 GGAAMM CC(=O)c1cccc(NC(=O)[C@@H](Sc2nc(N)cc(=O)[n-]2)c2ccccc2)c1 ZINC000010861773 570573752 /nfs/dbraw/zinc/57/37/52/570573752.db2.gz YTNBVPZIYKHDCP-SFHVURJKSA-N -1 1 394.456 3.027 50 0 GGAAMM CCOC(=O)C[C@H](c1ccc(C(=O)[O-])cc1)c1c(=O)[nH]c2ccccc2c1O ZINC000072325857 570674071 /nfs/dbraw/zinc/67/40/71/570674071.db2.gz AGSUZZNXLPSSNS-OAHLLOKOSA-N -1 1 381.384 3.017 50 0 biogenic GGAAMM O=C(c1ccco1)N1CCc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1 ZINC000008977169 570684133 /nfs/dbraw/zinc/68/41/33/570684133.db2.gz FQGMHYJLHONGLI-UHFFFAOYSA-N -1 1 382.441 3.279 50 0 GGAAMM COc1cccc(CN(CC(C)C)C(=O)[C@@H](C)Sc2nc(C)cc(=O)[n-]2)c1 ZINC000055386995 570693783 /nfs/dbraw/zinc/69/37/83/570693783.db2.gz SALCHXAAPDJMAF-OAHLLOKOSA-N -1 1 389.521 3.252 50 0 GGAAMM COc1cccc(CN(CC(C)C)C(=O)[C@H](C)Sc2nc(C)cc(=O)[n-]2)c1 ZINC000055386992 570693807 /nfs/dbraw/zinc/69/38/07/570693807.db2.gz SALCHXAAPDJMAF-HNNXBMFYSA-N -1 1 389.521 3.252 50 0 GGAAMM O=C([O-])[C@@H]1Cc2nc[nH]c2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000117997130 570698775 /nfs/dbraw/zinc/69/87/75/570698775.db2.gz BVEHJVDGBLGYCN-FQEVSTJZSA-N -1 1 389.411 3.170 50 0 GGAAMM COc1ccc(C)cc1[C@@H](C(=O)[O-])N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000063871875 570752736 /nfs/dbraw/zinc/75/27/36/570752736.db2.gz LXZQCVQIIHVYGG-FQEVSTJZSA-N 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570784251 /nfs/dbraw/zinc/78/42/51/570784251.db2.gz PUPZUNJIQFVOPS-UHFFFAOYSA-N -1 1 392.452 3.261 50 0 GGAAMM CCOC(=O)[C@@]1(C)CC(=Nc2ccc(C(=O)[O-])cc2)C(=O)N1c1ccccc1 ZINC000001825942 570820036 /nfs/dbraw/zinc/82/00/36/570820036.db2.gz KIINBVKKUZIAIO-OAQYLSRUSA-N -1 1 380.400 3.049 50 0 GGAAMM CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)C23CC4CC(CC(C4)C2)C3)n1 ZINC000007420143 570839522 /nfs/dbraw/zinc/83/95/22/570839522.db2.gz ACRCQCXAEWLBDO-UHFFFAOYSA-N -1 1 395.507 3.371 50 0 GGAAMM COc1ccc([C@@H]2c3c(nc(N)[n-]c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000102453297 570849263 /nfs/dbraw/zinc/84/92/63/570849263.db2.gz GMTIEYJZMPTZCD-HNNXBMFYSA-N -1 1 396.447 3.219 50 0 GGAAMM CC(C)c1ccc(N[C@@H]2CCCN(C(=O)c3cnc(C4CC4)[n-]c3=O)C2)cc1 ZINC000072167284 570877053 /nfs/dbraw/zinc/87/70/53/570877053.db2.gz AUFBZNQYLJYOCT-GOSISDBHSA-N -1 1 380.492 3.487 50 0 GGAAMM CC(C)c1ccc(N[C@H]2CCCN(C(=O)c3cnc(C4CC4)[n-]c3=O)C2)cc1 ZINC000072167285 570877076 /nfs/dbraw/zinc/87/70/76/570877076.db2.gz AUFBZNQYLJYOCT-SFHVURJKSA-N -1 1 380.492 3.487 50 0 GGAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C(C)(C)C)CC3)cc1 ZINC000013696493 570900623 /nfs/dbraw/zinc/90/06/23/570900623.db2.gz XIERBGVCPKRTAK-UHFFFAOYSA-N -1 1 388.489 3.431 50 0 GGAAMM COC(=O)c1ccc(-c2ccc(C=C(Sc3nnc(C)[nH]3)C(=O)[O-])o2)cc1 ZINC000005721337 570903359 /nfs/dbraw/zinc/90/33/59/570903359.db2.gz ORHOSDZWUXQBCG-OQLLNIDSSA-N -1 1 385.401 3.378 50 0 GGAAMM COC(=O)c1ccc(-c2ccc(C=C(Sc3n[nH]c(C)n3)C(=O)[O-])o2)cc1 ZINC000005721337 570903361 /nfs/dbraw/zinc/90/33/61/570903361.db2.gz ORHOSDZWUXQBCG-OQLLNIDSSA-N -1 1 385.401 3.378 50 0 GGAAMM Cc1nc(S[C@H](C)c2ccccc2)[n-]c(=O)c1CC(=O)NCc1ccco1 ZINC000023138684 570917013 /nfs/dbraw/zinc/91/70/13/570917013.db2.gz MWIQRVXBSRCORO-CQSZACIVSA-N -1 1 383.473 3.384 50 0 GGAAMM CCOC(=O)C1=C(C)Nc2nc(SC)[n-]c(=O)c2[C@H]1c1cccc(F)c1 ZINC000004032423 570918334 /nfs/dbraw/zinc/91/83/34/570918334.db2.gz AVDBUQMFNYKBHP-ZDUSSCGKSA-N -1 1 375.425 3.025 50 0 GGAAMM Cc1nn(-c2ccccc2)c2[n-]cc(C(=O)N3CCc4ccccc4C3)c(=O)c12 ZINC000015391740 570933842 /nfs/dbraw/zinc/93/38/42/570933842.db2.gz BYUYAANEFGPRQP-UHFFFAOYSA-N -1 1 384.439 3.221 50 0 GGAAMM O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2coc3ccc(F)cc3c2=O)N1 ZINC000002126385 570958101 /nfs/dbraw/zinc/95/81/01/570958101.db2.gz OWGOLIXIYLAQGD-QFBILLFUSA-N -1 1 378.359 3.102 50 0 biogenic GGAAMM CCc1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)c2cc3ccccc3o2)n1 ZINC000012124627 570959461 /nfs/dbraw/zinc/95/94/61/570959461.db2.gz VRSGPTCIAOJTRY-UHFFFAOYSA-N -1 1 389.415 3.394 50 0 GGAAMM COc1ccc2[nH]c(C(=O)[O-])c(NS(=O)(=O)c3ccc(F)c(C)c3)c2c1 ZINC000002194651 570996430 /nfs/dbraw/zinc/99/64/30/570996430.db2.gz YNOGFZKNIPKQKM-UHFFFAOYSA-N -1 1 378.381 3.123 50 0 GGAAMM O=C1N[C@H](c2ccc(Cl)cc2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000004163392 1398381717 /nfs/dbraw/zinc/38/17/17/1398381717.db2.gz VHPRPHVOYMJCDB-CKEIUWERSA-N -1 1 398.768 3.444 50 0 GGAAMM COC(=O)c1ccc(NC(=O)c2c([O-])n(CC(C)C)c3ccccc3c2=O)cc1 ZINC000005563318 1398453677 /nfs/dbraw/zinc/45/36/77/1398453677.db2.gz HFSRBMCWQMNPHL-UHFFFAOYSA-N -1 1 394.427 3.402 50 0 GGAAMM CCCn1c([O-])c(C(=O)Nc2ccc(C(=O)OC)cc2)c(=O)c2ccccc21 ZINC000005904463 1398491064 /nfs/dbraw/zinc/49/10/64/1398491064.db2.gz FESKKVLRVYRGAF-UHFFFAOYSA-N -1 1 380.400 3.156 50 0 GGAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@H](c1cccnc1)C(C(=O)OC)=C(C)N2 ZINC000008346035 1398825136 /nfs/dbraw/zinc/82/51/36/1398825136.db2.gz RYMUKRNETFMLMZ-CQSZACIVSA-N -1 1 386.477 3.062 50 0 GGAAMM Cc1c(CC(=O)N[C@H](C)CCc2ccccc2)c(=O)oc2cc(O)cc([O-])c12 ZINC000008490569 1398834846 /nfs/dbraw/zinc/83/48/46/1398834846.db2.gz LBZAUJCRDQNSES-CYBMUJFWSA-N -1 1 381.428 3.193 50 0 biogenic GGAAMM CN1CCOc2ccc([N-]S(=O)(=O)c3cccc4ccccc43)cc2C1=O ZINC000008961561 1398850718 /nfs/dbraw/zinc/85/07/18/1398850718.db2.gz DMTMWELHZHMDIT-UHFFFAOYSA-N -1 1 382.441 3.105 50 0 GGAAMM CN1C[C@@]2(Cc3c4ccccc4ccc31)C(=O)[N-]C(=O)N(C1CCCCC1)C2=O ZINC000009012911 1398851966 /nfs/dbraw/zinc/85/19/66/1398851966.db2.gz 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ZINC000044973751 564476447 /nfs/dbraw/zinc/47/64/47/564476447.db2.gz PMXGWBULLQUHST-NSHDSACASA-N -1 1 377.491 3.256 50 0 GGAAMM COc1cccc(NCc2nn(Cc3ccc(Br)cc3)c(=O)[n-]2)c1 ZINC000061719251 564708086 /nfs/dbraw/zinc/70/80/86/564708086.db2.gz QRMSQLVSGVBRPB-UHFFFAOYSA-N -1 1 389.253 3.003 50 0 GGAAMM O=C(Nn1c(=O)c2sccc2[n-]c1=S)c1cccc(Br)c1 ZINC000102922373 564938845 /nfs/dbraw/zinc/93/88/45/564938845.db2.gz LDNGHCITIPVCMI-UHFFFAOYSA-N -1 1 382.264 3.267 50 0 GGAAMM CCc1c(C)nc(SCc2nc(-c3cccc(OC)c3OC)no2)[n-]c1=O ZINC000048990080 570256696 /nfs/dbraw/zinc/25/66/96/570256696.db2.gz PABNUUYMDCOYPM-UHFFFAOYSA-N -1 1 388.449 3.000 50 0 GGAAMM O=C([O-])[C@H]1Cc2nc[nH]c2[C@H](c2ccc(F)cc2)N1C(=S)Nc1ccccc1 ZINC000022628268 570264695 /nfs/dbraw/zinc/26/46/95/570264695.db2.gz DYVXCFIFPGCDFU-AEFFLSMTSA-N -1 1 396.447 3.347 50 0 GGAAMM CCNC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccc(C)cc4)c3[n-]2)C1 ZINC000049421238 570267152 /nfs/dbraw/zinc/26/71/52/570267152.db2.gz NGKHOQCTEIRDPB-OAHLLOKOSA-N -1 1 396.516 3.313 50 0 GGAAMM CCNC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccc(C)cc4)c3[n-]2)C1 ZINC000049421239 570267166 /nfs/dbraw/zinc/26/71/66/570267166.db2.gz NGKHOQCTEIRDPB-HNNXBMFYSA-N -1 1 396.516 3.313 50 0 GGAAMM COc1ccc(OC)c(NC(=O)CCc2c(C)c3ccc([O-])cc3oc2=O)c1 ZINC000012900285 570287960 /nfs/dbraw/zinc/28/79/60/570287960.db2.gz OQAWRSLTVFVTOP-UHFFFAOYSA-N -1 1 383.400 3.396 50 0 biogenic GGAAMM Cc1cc(C)n([C@H](C[N-]S(=O)(=O)c2cc(F)ccc2F)c2ccsc2)n1 ZINC000575614429 570340463 /nfs/dbraw/zinc/34/04/63/570340463.db2.gz SLUQSXRHQPCXQL-MRXNPFEDSA-N -1 1 397.472 3.408 50 0 GGAAMM CCc1cc2c(nc(SCc3cc(=O)[nH][n-]3)n(Cc3ccco3)c2=O)s1 ZINC000004906256 570362352 /nfs/dbraw/zinc/36/23/52/570362352.db2.gz ZYZKBAOBIVXOET-UHFFFAOYSA-N -1 1 388.474 3.383 50 0 GGAAMM O=S(=O)([N-]c1ccccc1-c1cn2c(n1)CCCC2)c1ccc2c(c1)OCO2 ZINC000575619789 570368522 /nfs/dbraw/zinc/36/85/22/570368522.db2.gz LTHXIVMIPBTFHS-UHFFFAOYSA-N -1 1 397.456 3.416 50 0 GGAAMM CCC(=O)NC(=S)Nc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1 ZINC000004674048 570392142 /nfs/dbraw/zinc/39/21/42/570392142.db2.gz HDRNEMAHXDOJNN-UHFFFAOYSA-N -1 1 391.518 3.327 50 0 GGAAMM Cc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)cnn1-c1nc(C)cc(=O)[n-]1 ZINC000035598406 570401036 /nfs/dbraw/zinc/40/10/36/570401036.db2.gz RHCORERRCDQVHG-UHFFFAOYSA-N -1 1 393.325 3.136 50 0 GGAAMM CCc1nnc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(=O)[n-]2)s1 ZINC000004999489 570422966 /nfs/dbraw/zinc/42/29/66/570422966.db2.gz LLLZOZORNMBAJA-SNVBAGLBSA-N -1 1 387.490 3.382 50 0 GGAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C(C)C)CCC3)cc1 ZINC000005136578 570423535 /nfs/dbraw/zinc/42/35/35/570423535.db2.gz PJQIAUUNJSIICO-UHFFFAOYSA-N -1 1 388.489 3.431 50 0 GGAAMM COC(=O)[N-]C(=O)c1c(C)c(C)sc1NC(=O)c1ccc(N(C)C)cc1 ZINC000005145074 570426637 /nfs/dbraw/zinc/42/66/37/570426637.db2.gz WTUGMWBTNOIZHZ-UHFFFAOYSA-N -1 1 375.450 3.179 50 0 GGAAMM CCOc1ccc(C(=O)C[C@H](C(=O)[O-])c2c(C)[nH]n(-c3ccccc3)c2=O)cc1 ZINC000005196911 570431279 /nfs/dbraw/zinc/43/12/79/570431279.db2.gz GUZIKWYQZFZXLF-AZUAARDMSA-N -1 1 394.427 3.398 50 0 GGAAMM C[C@]1(O)Cc2[n-][nH]c(=O)c2[C@H](c2ccc(Cl)cc2)[C@H]1C(=O)Nc1ccccc1 ZINC000248054905 570440999 /nfs/dbraw/zinc/44/09/99/570440999.db2.gz YFMAICZYSYQHBQ-MDKPJZGXSA-N -1 1 397.862 3.463 50 0 GGAAMM COc1cccc(C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2nn[n-]n2)c1 ZINC000005485656 570442214 /nfs/dbraw/zinc/44/22/14/570442214.db2.gz JRFMGXSGASOMMR-OAHLLOKOSA-N -1 1 391.353 3.192 50 0 GGAAMM CCCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(N)cc2O)cc1 ZINC000005501987 570443152 /nfs/dbraw/zinc/44/31/52/570443152.db2.gz ASVPYYBXFCOZFD-UHFFFAOYSA-N -1 1 377.466 3.294 50 0 GGAAMM CCc1nnc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)s1 ZINC000006267373 570474771 /nfs/dbraw/zinc/47/47/71/570474771.db2.gz YMGXUJCEBOCIIT-UHFFFAOYSA-N -1 1 388.474 3.154 50 0 GGAAMM Cc1ccc([N-]S(=O)(=O)c2cc3cccc4c3c(c2)C(=O)NC4=O)cc1C ZINC000002696815 570505029 /nfs/dbraw/zinc/50/50/29/570505029.db2.gz KHHLLYVEXRZSKS-UHFFFAOYSA-N -1 1 380.425 3.141 50 0 GGAAMM COc1ccc(-c2nc3c4cnn(-c5ccccc5Cl)c4ncn3n2)c([O-])c1 ZINC000005243392 570526063 /nfs/dbraw/zinc/52/60/63/570526063.db2.gz YREIDSMQUDNCPE-UHFFFAOYSA-N -1 1 392.806 3.498 50 0 GGAAMM O=C(CSc1nc2c(c(=O)[n-]1)CCCC2)Nc1ccccc1C(F)(F)F ZINC000008587327 570534776 /nfs/dbraw/zinc/53/47/76/570534776.db2.gz JQXKKAQDWZPCKB-UHFFFAOYSA-N -1 1 383.395 3.398 50 0 GGAAMM COc1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1NC(=O)c1cccnc1 ZINC000001130301 570534825 /nfs/dbraw/zinc/53/48/25/570534825.db2.gz MLOZXLARSGXAJI-UHFFFAOYSA-N -1 1 397.456 3.452 50 0 GGAAMM COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nc2c(c(=O)[n-]1)CCCC2 ZINC000008587357 570534970 /nfs/dbraw/zinc/53/49/70/570534970.db2.gz SRWHJQXVPCQBSQ-SNVBAGLBSA-N -1 1 393.896 3.430 50 0 GGAAMM COc1ccccc1N1CCN(c2nc(C)c(Cc3ccccc3)c(=O)[n-]2)CC1 ZINC000008969428 570545086 /nfs/dbraw/zinc/54/50/86/570545086.db2.gz RISISJRQACDLRL-UHFFFAOYSA-N -1 1 390.487 3.004 50 0 GGAAMM COc1ccc(Nc2nc(-c3cnc(N4CCCCC4)nc3C)cc(=O)[n-]2)cc1 ZINC000035655389 570557377 /nfs/dbraw/zinc/55/73/77/570557377.db2.gz GNMUSXIFMKKNGN-UHFFFAOYSA-N -1 1 392.463 3.278 50 0 GGAAMM Cc1cc([O-])c2c(C)c(CC(=O)Nc3ccc4c(c3)OCCO4)c(=O)oc2c1 ZINC000005349016 570562795 /nfs/dbraw/zinc/56/27/95/570562795.db2.gz XSRCSGLOUYJFPA-UHFFFAOYSA-N -1 1 381.384 3.068 50 0 GGAAMM Cc1ccc(S(=O)(=O)Nc2cc(OCC(=O)[O-])cc3ccc(C)nc32)cc1 ZINC000044075068 570631649 /nfs/dbraw/zinc/63/16/49/570631649.db2.gz CGNKOBNGEFZRQU-UHFFFAOYSA-N -1 1 386.429 3.116 50 0 GGAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC4(CC2)OCCO4)nc3=O)cc1 ZINC000044167969 570631985 /nfs/dbraw/zinc/63/19/85/570631985.db2.gz NEVOGOQOJZRROA-UHFFFAOYSA-N -1 1 383.473 3.303 50 0 biogenic GGAAMM COc1ccccc1-c1noc(-c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n1 ZINC000036357128 570637547 /nfs/dbraw/zinc/63/75/47/570637547.db2.gz GIVKZIMQFSZMIJ-UHFFFAOYSA-N -1 1 377.422 3.082 50 0 GGAAMM COc1ccc2c(c1)c([C@@H](C(=O)[O-])[N@@H+]1C[C@H](C)C[C@H](C)C1)cn2CCC(=O)[O-] ZINC000036369967 570646757 /nfs/dbraw/zinc/64/67/57/570646757.db2.gz CVZYCCJMVMSEJF-MNVSYLFESA-N -1 1 388.464 3.228 50 0 biogenic GGAAMM COc1ccc(S(=O)(=O)[N-]c2ccccc2/C=C/c2cc[n+]([O-])cc2)cc1 ZINC000000600734 570678796 /nfs/dbraw/zinc/67/87/96/570678796.db2.gz LBPNULPSVCDYRF-VOTSOKGWSA-N -1 1 382.441 3.300 50 0 GGAAMM Cc1cccc2nc([C@@H]3CCCN3C(=O)c3ccccc3NCC(=O)[O-])[nH]c21 ZINC000055414506 570695424 /nfs/dbraw/zinc/69/54/24/570695424.db2.gz SBUUGSMBYCBLBK-KRWDZBQOSA-N -1 1 378.432 3.345 50 0 GGAAMM CC(C)c1ncc(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)c(=O)[n-]1 ZINC000065387530 570764004 /nfs/dbraw/zinc/76/40/04/570764004.db2.gz NWHSJDUYWAHJSF-AZUAARDMSA-N -1 1 391.471 3.037 50 0 GGAAMM Cn1cc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccccc5)coc4c32)cn1 ZINC000524731203 570766150 /nfs/dbraw/zinc/76/61/50/570766150.db2.gz NQZJQTDYCKICOZ-AWEZNQCLSA-N -1 1 388.379 3.340 50 0 biogenic GGAAMM Cn1cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccccc5)coc-4c32)cn1 ZINC000524731203 570766154 /nfs/dbraw/zinc/76/61/54/570766154.db2.gz NQZJQTDYCKICOZ-AWEZNQCLSA-N -1 1 388.379 3.340 50 0 biogenic GGAAMM COc1cc(C(=O)Nn2c(=O)c3ccccc3[n-]c2=S)ccc1OC(F)F ZINC000007274983 570823897 /nfs/dbraw/zinc/82/38/97/570823897.db2.gz AIDNWQITJPFVGP-UHFFFAOYSA-N -1 1 393.371 3.053 50 0 GGAAMM Cc1nc2[n-]cnn2c(=O)c1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000101496784 570825468 /nfs/dbraw/zinc/82/54/68/570825468.db2.gz KHRYZGSUQUNROC-UHFFFAOYSA-N -1 1 389.415 3.090 50 0 GGAAMM CC1CCN(C(=O)C(=C([O-])c2ccc(F)cc2)n2cc(Cl)ccc2=O)CC1 ZINC000004680079 570825986 /nfs/dbraw/zinc/82/59/86/570825986.db2.gz ZBCZTDVYILHHJY-GOSISDBHSA-N -1 1 390.842 3.323 50 0 GGAAMM CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)c2ccccc2SC)n1 ZINC000007420598 570840023 /nfs/dbraw/zinc/84/00/23/570840023.db2.gz AAASGYKCPWABRF-UHFFFAOYSA-N -1 1 383.477 3.191 50 0 GGAAMM CCc1c(C)nc(-n2nc(C)cc2NC(=O)CCCc2ccccc2)[n-]c1=O ZINC000007422194 570840258 /nfs/dbraw/zinc/84/02/58/570840258.db2.gz RSAKQERTNDBOMX-UHFFFAOYSA-N -1 1 379.464 3.096 50 0 GGAAMM CCc1c(C)nc(-n2nc(C)cc2NC(=O)[C@@H](CC)c2ccccc2)[n-]c1=O ZINC000007422178 570840283 /nfs/dbraw/zinc/84/02/83/570840283.db2.gz BYHSQROXPRHZRX-KRWDZBQOSA-N -1 1 379.464 3.267 50 0 GGAAMM COc1ccc([C@H]2c3c(nc(N)[n-]c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000102453300 570849275 /nfs/dbraw/zinc/84/92/75/570849275.db2.gz GMTIEYJZMPTZCD-OAHLLOKOSA-N -1 1 396.447 3.219 50 0 GGAAMM Cc1nn(-c2nc(C)cc(=O)[n-]2)c(C)c1CCC(=O)Nc1cccc(C)c1C ZINC000016849689 570914538 /nfs/dbraw/zinc/91/45/38/570914538.db2.gz RAWAXKWTRGEEJV-UHFFFAOYSA-N -1 1 379.464 3.069 50 0 GGAAMM COc1ccccc1CNC(=O)Cc1cc(=O)[n-]c(SCc2ccccc2)n1 ZINC000023137995 570915529 /nfs/dbraw/zinc/91/55/29/570915529.db2.gz WCCHEXMZIKNJKW-UHFFFAOYSA-N -1 1 395.484 3.342 50 0 GGAAMM CCCn1c2ccccc2c([O-])c(C(=O)NCCc2ccc(OC)cc2)c1=O ZINC000001306463 570957496 /nfs/dbraw/zinc/95/74/96/570957496.db2.gz VFKBVKCBFWZHCW-UHFFFAOYSA-N -1 1 380.444 3.098 50 0 GGAAMM CCCn1c([O-])c(C(=O)NCCc2ccc(OC)cc2)c(=O)c2ccccc21 ZINC000001306463 570957497 /nfs/dbraw/zinc/95/74/97/570957497.db2.gz VFKBVKCBFWZHCW-UHFFFAOYSA-N -1 1 380.444 3.098 50 0 GGAAMM O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2coc3ccc(F)cc3c2=O)N1 ZINC000002126384 570957982 /nfs/dbraw/zinc/95/79/82/570957982.db2.gz OWGOLIXIYLAQGD-VQIMIIECSA-N -1 1 378.359 3.102 50 0 biogenic GGAAMM CC[C@H](C(=O)Nc1cc(C2CC2)nn1-c1nc(C)cc(=O)[n-]1)c1ccccc1 ZINC000012123540 570959744 /nfs/dbraw/zinc/95/97/44/570959744.db2.gz GYVRGWSYPVSPTP-INIZCTEOSA-N -1 1 377.448 3.274 50 0 GGAAMM COc1ccc(NC(C)=O)cc1NC(=O)c1c[n-]c2ccc(Cl)cc2c1=O ZINC000044901535 570981930 /nfs/dbraw/zinc/98/19/30/570981930.db2.gz MFPUVUIRQFLCAY-UHFFFAOYSA-N -1 1 385.807 3.401 50 0 GGAAMM Cc1cc([O-])c2c(C)c(CC(=O)NCCc3c[nH]c4ccccc34)c(=O)oc2c1 ZINC000004090029 1398379756 /nfs/dbraw/zinc/37/97/56/1398379756.db2.gz SLVDYOYFCSLQLY-UHFFFAOYSA-N -1 1 390.439 3.498 50 0 biogenic GGAAMM Cc1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)no1 ZINC000005204130 1398420781 /nfs/dbraw/zinc/42/07/81/1398420781.db2.gz VDVMLOPJWHAXTE-UHFFFAOYSA-N -1 1 375.381 3.175 50 0 GGAAMM CCCCn1c2ccccc2c([O-])c(C(=O)NCc2ccccc2OC)c1=O ZINC000005737706 1398472041 /nfs/dbraw/zinc/47/20/41/1398472041.db2.gz AWMCOGXUGPBQIG-UHFFFAOYSA-N -1 1 380.444 3.446 50 0 GGAAMM CCCCn1c([O-])c(C(=O)NCc2ccccc2OC)c(=O)c2ccccc21 ZINC000005737706 1398472056 /nfs/dbraw/zinc/47/20/56/1398472056.db2.gz AWMCOGXUGPBQIG-UHFFFAOYSA-N -1 1 380.444 3.446 50 0 GGAAMM Cc1nc2sc3c(c2c(=O)n1-n1c(=O)c2ccccc2[n-]c1=S)CCCC3 ZINC000008416697 1398830238 /nfs/dbraw/zinc/83/02/38/1398830238.db2.gz VKBHUJBVHQDEFP-UHFFFAOYSA-N -1 1 396.497 3.329 50 0 GGAAMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2nc3ccc(OC)cc3s2)n1 ZINC000008741266 1398845407 /nfs/dbraw/zinc/84/54/07/1398845407.db2.gz GOMSIRBTTUZRIP-UHFFFAOYSA-N -1 1 390.490 3.072 50 0 GGAAMM CC(C)C(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1 ZINC000008977061 1398850793 /nfs/dbraw/zinc/85/07/93/1398850793.db2.gz INJZEXJOANKKFG-UHFFFAOYSA-N -1 1 376.453 3.167 50 0 GGAAMM CCCCCCN1C(=O)[N-]C(=O)[C@@]2(Cc3c4ccccc4ccc3N(C)C2)C1=O ZINC000009090115 1398853673 /nfs/dbraw/zinc/85/36/73/1398853673.db2.gz INWJJEJEAKBFAN-QHCPKHFHSA-N -1 1 393.487 3.477 50 0 GGAAMM CC(C)CCCN1C(=O)[N-]C(=O)[C@@]2(Cc3c4ccccc4ccc3N(C)C2)C1=O ZINC000009090133 1398853705 /nfs/dbraw/zinc/85/37/05/1398853705.db2.gz GPNBHRXBPPEOTO-QHCPKHFHSA-N -1 1 393.487 3.333 50 0 GGAAMM CN1C[C@]2(Cc3c4ccccc4ccc31)C(=O)[N-]C(=O)N(Cc1ccccc1)C2=O ZINC000009190200 1398854950 /nfs/dbraw/zinc/85/49/50/1398854950.db2.gz RRRWVPKLDHPVCE-XMMPIXPASA-N -1 1 399.450 3.097 50 0 GGAAMM CN1C[C@@]2(Cc3c4ccccc4ccc31)C(=O)[N-]C(=O)N(Cc1ccccc1)C2=O ZINC000009190199 1398855032 /nfs/dbraw/zinc/85/50/32/1398855032.db2.gz RRRWVPKLDHPVCE-DEOSSOPVSA-N -1 1 399.450 3.097 50 0 GGAAMM COc1ccc(-c2cc(=O)[n-]c(Nc3nc(C)c4cccc(OC)c4n3)n2)cc1 ZINC000009184274 1398855060 /nfs/dbraw/zinc/85/50/60/1398855060.db2.gz XMCYEELTPYXVKI-UHFFFAOYSA-N -1 1 389.415 3.449 50 0 GGAAMM COc1ccc(NC(=O)CSc2nc(-c3ccc(OC)cc3)cc(=O)[n-]2)cc1 ZINC000009669245 1398862609 /nfs/dbraw/zinc/86/26/09/1398862609.db2.gz NVRGZWILAXCLRB-UHFFFAOYSA-N -1 1 397.456 3.185 50 0 GGAAMM COC(=O)C[C@H](c1c(=O)[nH][n-]c1Cc1ccc2c(c1)CCO2)c1ccc(O)cc1 ZINC000096222530 1410325565 /nfs/dbraw/zinc/32/55/65/1410325565.db2.gz ZDQVKGHDIITHNB-KRWDZBQOSA-N -1 1 394.427 3.042 50 0 biogenic GGAAMM Cc1ccc(C(N[C@H](CC(N)=O)C(=O)[O-])(c2ccccc2)c2ccccc2)cc1 ZINC000143035900 1417609872 /nfs/dbraw/zinc/60/98/72/1417609872.db2.gz ZPFKRZZGXUBMLS-OAQYLSRUSA-N -1 1 388.467 3.205 50 0 GGAAMM O=C(c1ccccc1-c1nnn[n-]1)N1CCC[C@@H](CCc2ccccc2F)C1 ZINC000071415740 1423378516 /nfs/dbraw/zinc/37/85/16/1423378516.db2.gz JEIWKDRDJMCFDM-HNNXBMFYSA-N -1 1 379.439 3.491 50 0 GGAAMM Oc1cc(-c2csc3ccccc23)cc2c1OCCN(CCc1nn[n-]n1)C2 ZINC000067872132 1423790436 /nfs/dbraw/zinc/79/04/36/1423790436.db2.gz TYIGYBRVSCXIQM-UHFFFAOYSA-N -1 1 393.472 3.224 50 0 GGAAMM Oc1cc(-c2csc3ccccc23)cc2c1OCCN(CCc1nnn[n-]1)C2 ZINC000067872132 1423790439 /nfs/dbraw/zinc/79/04/39/1423790439.db2.gz TYIGYBRVSCXIQM-UHFFFAOYSA-N -1 1 393.472 3.224 50 0 GGAAMM Cc1c2cc(Cl)c(OCc3nnn[n-]3)cc2oc(=O)c1Cc1ccccc1 ZINC000002450594 1424474733 /nfs/dbraw/zinc/47/47/33/1424474733.db2.gz MEOQOYMAWZMAEP-UHFFFAOYSA-N -1 1 382.807 3.438 50 0 GGAAMM C[C@H](c1ccc(C(=O)Nc2ccc(Oc3nn[n-]n3)cc2)o1)N1CCCCC1 ZINC000952979754 1424976999 /nfs/dbraw/zinc/97/69/99/1424976999.db2.gz RNOVXZORABJYNR-CYBMUJFWSA-N -1 1 382.424 3.384 50 0 GGAAMM C[C@H](c1ccc(C(=O)Nc2ccc(Oc3nnn[n-]3)cc2)o1)N1CCCCC1 ZINC000952979754 1424977000 /nfs/dbraw/zinc/97/70/00/1424977000.db2.gz RNOVXZORABJYNR-CYBMUJFWSA-N -1 1 382.424 3.384 50 0 GGAAMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)c1ccnc(O[C@@H]2CCSC2)c1 ZINC000225721657 1433368031 /nfs/dbraw/zinc/36/80/31/1433368031.db2.gz REMJVALSESGAFK-OAHLLOKOSA-N -1 1 382.445 3.110 50 0 GGAAMM CCc1ccc([C@@H]2c3c(=O)[nH][n-]c3C[C@](C)(O)[C@H]2C(=O)Nc2ccccc2)cc1 ZINC000253470567 1433867685 /nfs/dbraw/zinc/86/76/85/1433867685.db2.gz GXIAOYOAVLQWLR-XQFWAAQXSA-N -1 1 391.471 3.372 50 0 GGAAMM COc1cc(CNc2nn[n-]n2)cc(Br)c1OCc1ccccc1 ZINC000008470319 1442321394 /nfs/dbraw/zinc/32/13/94/1442321394.db2.gz UPGPVFHXUAFUEX-UHFFFAOYSA-N -1 1 390.241 3.162 50 0 GGAAMM COc1ccccc1C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1nn[n-]n1 ZINC000005486139 1446798502 /nfs/dbraw/zinc/79/85/02/1446798502.db2.gz WLQZTVQBKUWRON-AWEZNQCLSA-N -1 1 391.353 3.192 50 0 GGAAMM O=C(NC1(CO)CCCC1)c1ccc(-c2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000426541207 231238512 /nfs/dbraw/zinc/23/85/12/231238512.db2.gz FDRNBUBFCXUVGR-UHFFFAOYSA-N -1 1 377.444 3.484 50 0 GGAAMM O=C([O-])C[C@H](NCc1ccccc1)C(=O)Nc1ccccc1Br ZINC000001874532 212258376 /nfs/dbraw/zinc/25/83/76/212258376.db2.gz SBNKFWIVYNYIEC-HNNXBMFYSA-N -1 1 377.238 3.021 50 0 GGAAMM CC(=O)N1CCc2ccc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)cc21 ZINC000001501520 212248224 /nfs/dbraw/zinc/24/82/24/212248224.db2.gz ARBJLDHATLFIIF-UHFFFAOYSA-N -1 1 384.379 3.415 50 0 GGAAMM CCOC(=O)C1=C(C)Nc2nc(SC)[n-]c(=O)c2[C@H]1c1sccc1C ZINC000001480283 212247004 /nfs/dbraw/zinc/24/70/04/212247004.db2.gz SBCOXRJNJIKYMV-NSHDSACASA-N -1 1 377.491 3.256 50 0 GGAAMM CCCn1c([O-])c(C(=O)Nc2ccsc2C(=O)OC)c(=O)c2ccccc21 ZINC000001288686 212234525 /nfs/dbraw/zinc/23/45/25/212234525.db2.gz JYOUTYFJYLYQHU-UHFFFAOYSA-N -1 1 386.429 3.218 50 0 GGAAMM CC(=O)c1c(C)n(NC(=O)c2cc(Br)ccc2[O-])c(C)c1C(C)=O ZINC000001189363 212226722 /nfs/dbraw/zinc/22/67/22/212226722.db2.gz URGPQBYJBCWQEG-UHFFFAOYSA-N -1 1 393.237 3.362 50 0 GGAAMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1 ZINC000001119609 212218796 /nfs/dbraw/zinc/21/87/96/212218796.db2.gz QFWTWNUWUUDIMR-UHFFFAOYSA-N -1 1 389.351 3.058 50 0 GGAAMM Cc1ccc(C(=O)NCc2cccnc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000001058942 212210724 /nfs/dbraw/zinc/21/07/24/212210724.db2.gz QSTPVDWSYWYVCY-UHFFFAOYSA-N -1 1 381.457 3.121 50 0 GGAAMM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NC3=O)c1C ZINC000001052714 212210540 /nfs/dbraw/zinc/21/05/40/212210540.db2.gz XIIDVDCDMKJCKR-UHFFFAOYSA-N -1 1 386.473 3.285 50 0 GGAAMM O=C1Nc2ccc(S(=O)(=O)[N-]c3ccc4oc(=O)sc4c3)c3cccc1c23 ZINC000000793388 212181447 /nfs/dbraw/zinc/18/14/47/212181447.db2.gz KXTFXUFZHSXZJT-UHFFFAOYSA-N -1 1 398.421 3.374 50 0 GGAAMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)cc1 ZINC000000816436 212185228 /nfs/dbraw/zinc/18/52/28/212185228.db2.gz WYTFUPSCVNFBOQ-UHFFFAOYSA-N -1 1 395.440 3.189 50 0 GGAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3C)c1 ZINC000009165739 212163183 /nfs/dbraw/zinc/16/31/83/212163183.db2.gz VFJQEWPSBYBWCN-UHFFFAOYSA-N -1 1 388.489 3.486 50 0 GGAAMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)[C@H](C)c1cccs1 ZINC000058173121 212132849 /nfs/dbraw/zinc/13/28/49/212132849.db2.gz SIWRUUYBTOYSSB-CQSZACIVSA-N -1 1 382.489 3.354 50 0 GGAAMM COC1CN(c2ccc([N-]S(=O)(=O)c3ccccc3Br)cc2)C1 ZINC000245093454 212133824 /nfs/dbraw/zinc/13/38/24/212133824.db2.gz ROELQOBZVZJRQT-UHFFFAOYSA-N -1 1 397.294 3.085 50 0 GGAAMM Cc1n[nH]c(-c2ccc(Cl)cc2)c1CC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000334160947 212107363 /nfs/dbraw/zinc/10/73/63/212107363.db2.gz PLDSPANMGJZYSP-GOSISDBHSA-N -1 1 397.862 3.393 50 0 GGAAMM CCc1c(C)nc(-n2nc(C)cc2NC(=O)c2ccc(OC(C)C)cc2)[n-]c1=O ZINC000007421773 220996468 /nfs/dbraw/zinc/99/64/68/220996468.db2.gz LDYPKCHJPPWUKF-UHFFFAOYSA-N -1 1 395.463 3.174 50 0 GGAAMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1 ZINC000007708150 221006688 /nfs/dbraw/zinc/00/66/88/221006688.db2.gz KUHSDBSGWFVXQJ-UHFFFAOYSA-N -1 1 395.278 3.377 50 0 GGAAMM CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccs1)C(C(=O)OC)=C(C)N2 ZINC000007990960 221022119 /nfs/dbraw/zinc/02/21/19/221022119.db2.gz YQRIDNVKPGIMLZ-LBPRGKRZSA-N -1 1 377.491 3.338 50 0 GGAAMM CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccc(F)c1)C(C(=O)OC)=C(C)N2 ZINC000008132282 221028109 /nfs/dbraw/zinc/02/81/09/221028109.db2.gz ILRHSJFVBRFXBB-AWEZNQCLSA-N -1 1 389.452 3.416 50 0 GGAAMM CCCc1cc(=O)[n-]c(SCC(=O)NCC23CC4CC(CC(C4)C2)C3)n1 ZINC000008662677 221048400 /nfs/dbraw/zinc/04/84/00/221048400.db2.gz UASHOOVUVOQKBP-UHFFFAOYSA-N -1 1 375.538 3.147 50 0 GGAAMM CCc1c(C)nc(SCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)[n-]c1=O ZINC000009191526 221073846 /nfs/dbraw/zinc/07/38/46/221073846.db2.gz BPZPFSWQHJFMIZ-BUBBNXEVSA-N -1 1 389.565 3.454 50 0 GGAAMM COC(=O)c1ccccc1-c1ccc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])o1 ZINC000009242609 221075808 /nfs/dbraw/zinc/07/58/08/221075808.db2.gz CYVWMKGRFJREAV-OQLLNIDSSA-N -1 1 385.401 3.378 50 0 GGAAMM COC(=O)c1ccccc1-c1ccc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])o1 ZINC000009242609 221075810 /nfs/dbraw/zinc/07/58/10/221075810.db2.gz CYVWMKGRFJREAV-OQLLNIDSSA-N -1 1 385.401 3.378 50 0 GGAAMM COc1cc(C[C@@H](C(=O)Nc2cccc3ccccc32)c2nn[n-]n2)ccc1O ZINC000009434383 221081225 /nfs/dbraw/zinc/08/12/25/221081225.db2.gz MGYOOUMHMSZKPF-MRXNPFEDSA-N -1 1 389.415 3.032 50 0 GGAAMM COc1cc(C[C@H](C(=O)Nc2cccc3ccccc32)c2nn[n-]n2)ccc1O ZINC000009434382 221082001 /nfs/dbraw/zinc/08/20/01/221082001.db2.gz MGYOOUMHMSZKPF-INIZCTEOSA-N -1 1 389.415 3.032 50 0 GGAAMM O=C(COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)N1CCSCC1 ZINC000009577582 221086805 /nfs/dbraw/zinc/08/68/05/221086805.db2.gz YPMMYWRZKDOIQU-UHFFFAOYSA-N -1 1 397.452 3.120 50 0 biogenic GGAAMM O=C(COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)N1CCSCC1 ZINC000009577582 221086808 /nfs/dbraw/zinc/08/68/08/221086808.db2.gz YPMMYWRZKDOIQU-UHFFFAOYSA-N -1 1 397.452 3.120 50 0 biogenic GGAAMM O=C([N-]c1nnc(S(=O)(=O)Cc2ccc(Cl)cc2)s1)c1ccco1 ZINC000008972161 221066787 /nfs/dbraw/zinc/06/67/87/221066787.db2.gz WUFOGBJBCJVOFJ-UHFFFAOYSA-N -1 1 383.838 3.011 50 0 GGAAMM CC(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2C1 ZINC000008976892 221067306 /nfs/dbraw/zinc/06/73/06/221067306.db2.gz JPDGCUCMGPZUHG-UHFFFAOYSA-N -1 1 384.501 3.271 50 0 GGAAMM CCc1c(C)nc(-n2nc(-c3cccs3)cc2NC(=O)c2ccco2)[n-]c1=O ZINC000011855161 221131810 /nfs/dbraw/zinc/13/18/10/221131810.db2.gz YCOFCXDWIBYXOO-UHFFFAOYSA-N -1 1 395.444 3.400 50 0 GGAAMM Cc1cc(=O)[n-]c(-n2nc(-c3cccs3)cc2NC(=O)c2cccs2)n1 ZINC000011854463 221132258 /nfs/dbraw/zinc/13/22/58/221132258.db2.gz BFBDGEPJDXQPLB-UHFFFAOYSA-N -1 1 383.458 3.306 50 0 GGAAMM O=C1N[C@H](c2ccc(Cl)cc2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000011859125 221133429 /nfs/dbraw/zinc/13/34/29/221133429.db2.gz VHPRPHVOYMJCDB-CPUCHLNUSA-N -1 1 398.768 3.444 50 0 GGAAMM CCCc1cc(=O)[n-]c(SCC(=O)N2CCC(Cc3ccccc3)CC2)n1 ZINC000011443635 221116507 /nfs/dbraw/zinc/11/65/07/221116507.db2.gz LTROCUZSCUUXGU-UHFFFAOYSA-N -1 1 385.533 3.296 50 0 GGAAMM COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nc2c(c(=O)[n-]1)CCC2 ZINC000011902912 221135159 /nfs/dbraw/zinc/13/51/59/221135159.db2.gz IURFRMJNPQSIMM-VIFPVBQESA-N -1 1 379.869 3.040 50 0 GGAAMM CC(C)c1cc(=O)[n-]c(-n2nc(-c3ccco3)cc2NC(=O)c2ccco2)n1 ZINC000012007905 221142922 /nfs/dbraw/zinc/14/29/22/221142922.db2.gz TZIZGVRXXVUXPX-UHFFFAOYSA-N -1 1 379.376 3.184 50 0 GGAAMM CCc1c(C)nc(-n2nc(-c3ccco3)cc2NC(=O)c2cccs2)[n-]c1=O ZINC000012008876 221143019 /nfs/dbraw/zinc/14/30/19/221143019.db2.gz FORFQYCGAWIVST-UHFFFAOYSA-N -1 1 395.444 3.400 50 0 GGAAMM CCOC(=O)Nc1cc(-c2ccco2)nn1-c1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000012009511 221143375 /nfs/dbraw/zinc/14/33/75/221143375.db2.gz RQGHSKKONAHZAP-UHFFFAOYSA-N -1 1 391.387 3.451 50 0 GGAAMM CC(C)(C)C(=O)Nc1cc(C2CC2)nn1-c1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000012128387 221155809 /nfs/dbraw/zinc/15/58/09/221155809.db2.gz RJZJXTUOUBGVQA-UHFFFAOYSA-N -1 1 377.448 3.485 50 0 GGAAMM Cc1nc(-n2nc(C3CC3)cc2NC(=O)C=Cc2ccccc2)[n-]c(=O)c1C ZINC000012127095 221156131 /nfs/dbraw/zinc/15/61/31/221156131.db2.gz KQZGXTLLWQOLJV-FLIBITNWSA-N -1 1 375.432 3.102 50 0 GGAAMM Cc1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)CSCc2ccccc2)n1 ZINC000012123478 221156510 /nfs/dbraw/zinc/15/65/10/221156510.db2.gz ZVRUJWBGFAJBMJ-UHFFFAOYSA-N -1 1 395.488 3.013 50 0 GGAAMM Cc1nc(-n2nc(C3CC3)cc2NC(=O)c2ccccc2Cl)[n-]c(=O)c1C ZINC000012126964 221156519 /nfs/dbraw/zinc/15/65/19/221156519.db2.gz XOJCJMUYFQISMT-UHFFFAOYSA-N -1 1 383.839 3.356 50 0 GGAAMM CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)[O-])c2c[nH]c3cc(Cl)ccc32)CC1 ZINC000012390736 221188948 /nfs/dbraw/zinc/18/89/48/221188948.db2.gz VJBSWROQVBEYKJ-MRXNPFEDSA-N -1 1 393.871 3.500 50 0 GGAAMM COc1ccc(OC)c(NC(=O)Cc2c(C)c3c([O-])cc(C)cc3oc2=O)c1 ZINC000013575559 221274410 /nfs/dbraw/zinc/27/44/10/221274410.db2.gz HMXSTOFMLIEZIO-UHFFFAOYSA-N -1 1 383.400 3.314 50 0 GGAAMM O=C(c1cccnc1)N1CCc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc21 ZINC000013697111 221282569 /nfs/dbraw/zinc/28/25/69/221282569.db2.gz TYBOBUSHJBLTOZ-UHFFFAOYSA-N -1 1 397.431 3.224 50 0 GGAAMM CCSc1nc2c(c(=O)[n-]1)[C@H](c1cccnc1)C(C(=O)OC(C)C)=C(C)N2 ZINC000013750191 221286662 /nfs/dbraw/zinc/28/66/62/221286662.db2.gz NNBRJQVVPIGTTF-CQSZACIVSA-N -1 1 386.477 3.060 50 0 GGAAMM CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccncc1)C(C(=O)OC(C)C)=C(C)N2 ZINC000013750182 221286885 /nfs/dbraw/zinc/28/68/85/221286885.db2.gz XAAVNNVWVAXTAX-CQSZACIVSA-N -1 1 386.477 3.060 50 0 GGAAMM CCc1c([O-])nc(SCC(=O)N2CCCCC2)n(C2CCCCC2)c1=O ZINC000013957325 221294244 /nfs/dbraw/zinc/29/42/44/221294244.db2.gz KHXQKESAKNDSEV-UHFFFAOYSA-N -1 1 379.526 3.121 50 0 GGAAMM CCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OC ZINC000016651691 221367552 /nfs/dbraw/zinc/36/75/52/221367552.db2.gz XNELNCLPEWQBFZ-UHFFFAOYSA-N -1 1 382.869 3.289 50 0 GGAAMM O=C(Cc1cc(=O)[n-]c(SCc2ccc(F)cc2)n1)NCC1CCCCC1 ZINC000016851356 221373279 /nfs/dbraw/zinc/37/32/79/221373279.db2.gz AQJIKFJUNWNHEU-UHFFFAOYSA-N -1 1 389.496 3.440 50 0 GGAAMM CCOc1cccc(C(=O)Nn2c(=O)c3c4c(sc3[n-]c2=S)CCC4)c1 ZINC000017079129 221377963 /nfs/dbraw/zinc/37/79/63/221377963.db2.gz KOZQQDHDOUUFBW-UHFFFAOYSA-N -1 1 387.486 3.392 50 0 GGAAMM O=C(Nn1c(=O)c2cc(Cc3ccccc3)sc2[n-]c1=S)c1cccnc1 ZINC000017080618 221378648 /nfs/dbraw/zinc/37/86/48/221378648.db2.gz FNTGYIXXZWJRIN-UHFFFAOYSA-N -1 1 394.481 3.490 50 0 GGAAMM COc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(=O)[n-]2)cc1OC ZINC000018023199 221385750 /nfs/dbraw/zinc/38/57/50/221385750.db2.gz KIFWJAVYYRTXDP-UHFFFAOYSA-N -1 1 397.456 3.185 50 0 GGAAMM Cc1nnc(SCc2cc(=O)[n-]c(Nc3nc(C)c4ccccc4n3)n2)s1 ZINC000018181907 221388314 /nfs/dbraw/zinc/38/83/14/221388314.db2.gz SFWGXQSHSYMCOI-UHFFFAOYSA-N -1 1 397.489 3.217 50 0 GGAAMM CN(C)c1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(=O)[n-]2)cc1 ZINC000018192827 221388710 /nfs/dbraw/zinc/38/87/10/221388710.db2.gz REFNYMOAUGOQLH-UHFFFAOYSA-N -1 1 380.473 3.234 50 0 GGAAMM COc1ccccc1N1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1=O ZINC000082115963 136173768 /nfs/dbraw/zinc/17/37/68/136173768.db2.gz FOEGGDLIIPAQIB-UHFFFAOYSA-N -1 1 376.412 3.043 50 0 GGAAMM Cc1ccccc1Oc1ncccc1CNC(=O)c1cnc(C(C)C)[n-]c1=O ZINC000067724479 222155846 /nfs/dbraw/zinc/15/58/46/222155846.db2.gz DDALVQVWGAEQPL-UHFFFAOYSA-N -1 1 378.432 3.319 50 0 GGAAMM CC(C)c1ncc(C(=O)N2CCC[C@H](c3n[nH]cc3-c3ccccc3)C2)c(=O)[n-]1 ZINC000067741138 222157589 /nfs/dbraw/zinc/15/75/89/222157589.db2.gz PQHFWLUPXGBKSX-INIZCTEOSA-N -1 1 391.475 3.303 50 0 GGAAMM CC(C)c1ncc(C(=O)N2CCC[C@@H](c3n[nH]cc3-c3ccccc3)C2)c(=O)[n-]1 ZINC000067741140 222158444 /nfs/dbraw/zinc/15/84/44/222158444.db2.gz PQHFWLUPXGBKSX-MRXNPFEDSA-N -1 1 391.475 3.303 50 0 GGAAMM Cc1cccc2cc(C(=O)N3CCC(c4cc(CC(=O)[O-])[nH]n4)CC3)c(C)nc12 ZINC000067847433 222163597 /nfs/dbraw/zinc/16/35/97/222163597.db2.gz BASBLBAUHTWZHG-UHFFFAOYSA-N -1 1 392.459 3.222 50 0 GGAAMM O=S(=O)(Cc1cccc(Cl)c1)[N-]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000070762770 222176957 /nfs/dbraw/zinc/17/69/57/222176957.db2.gz PSDJTPFSGFQZPM-HNNXBMFYSA-N -1 1 393.814 3.210 50 0 GGAAMM COc1ccc(CC[C@H]2CCCN(C(=O)c3cnc(C(C)C)[n-]c3=O)C2)cc1 ZINC000071415716 222182798 /nfs/dbraw/zinc/18/27/98/222182798.db2.gz DYHRRYILZKBSJZ-QGZVFWFLSA-N -1 1 383.492 3.387 50 0 GGAAMM CCc1nc(C)c(CN2CCC(Oc3cc(C)ccc3F)(C(=O)[O-])CC2)[nH]1 ZINC000072478618 222267066 /nfs/dbraw/zinc/26/70/66/222267066.db2.gz YZSHDINNTAXSFV-UHFFFAOYSA-N -1 1 375.444 3.226 50 0 GGAAMM COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C(C)C)c(OC)c2c1OCO2 ZINC000085412215 222322956 /nfs/dbraw/zinc/32/29/56/222322956.db2.gz MNYVXWUGULPNSR-INIZCTEOSA-N -1 1 391.449 3.389 50 0 GGAAMM COc1c2c(cc([C@H]3SC(C)=Nc4c3c(=O)[n-]n4C(C)C)c1OC)OCO2 ZINC000085412250 222324158 /nfs/dbraw/zinc/32/41/58/222324158.db2.gz FTFIZMWAMGKBKT-MRXNPFEDSA-N -1 1 391.449 3.389 50 0 GGAAMM O=C(C[C@@H](c1ccccc1)c1cccc(Cl)c1)NCCc1nc([O-])cc(=O)[nH]1 ZINC000095510252 222342827 /nfs/dbraw/zinc/34/28/27/222342827.db2.gz ZRLJZEISPDXDKD-KRWDZBQOSA-N -1 1 397.862 3.010 50 0 GGAAMM O=C([N-]c1ccc(F)c(F)c1F)c1nnn(-c2ccc(Br)cc2)n1 ZINC000077100501 222273745 /nfs/dbraw/zinc/27/37/45/222273745.db2.gz SJBYZINLKRREEZ-UHFFFAOYSA-N -1 1 398.142 3.094 50 0 GGAAMM O=C(Cc1c(=O)[n-]n2c1[nH]c(-c1cccc(Cl)c1)cc2=O)c1ccccc1F ZINC000095831057 222360598 /nfs/dbraw/zinc/36/05/98/222360598.db2.gz OTYYYLHQCMBBQL-UHFFFAOYSA-N -1 1 397.793 3.201 50 0 GGAAMM COc1ccc(S(=O)(=O)[N-]c2c(C)nc(N3CCCC3)nc2C)c(C)c1C ZINC000096098621 222379910 /nfs/dbraw/zinc/37/99/10/222379910.db2.gz NSCFSDKIMBGRRB-UHFFFAOYSA-N -1 1 390.509 3.120 50 0 GGAAMM O=c1[n-]n(C2CCOCC2)c2c1[C@H](c1cc(F)c(F)c(F)c1)SCC(=O)N2 ZINC000096116896 222382793 /nfs/dbraw/zinc/38/27/93/222382793.db2.gz WNYBQBSLLJKZPQ-HNNXBMFYSA-N -1 1 399.394 3.132 50 0 GGAAMM Cn1nccc1[C@H]1CC(=O)Oc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c21 ZINC000096115095 222383195 /nfs/dbraw/zinc/38/31/95/222383195.db2.gz AVANTEYYBLFFBU-CYBMUJFWSA-N -1 1 388.379 3.340 50 0 biogenic GGAAMM Cn1nccc1[C@H]1CC(=O)Oc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c21 ZINC000096115095 222383198 /nfs/dbraw/zinc/38/31/98/222383198.db2.gz AVANTEYYBLFFBU-CYBMUJFWSA-N -1 1 388.379 3.340 50 0 biogenic GGAAMM COc1ccc(NC(=O)NC2(c3cccc(C)c3)CC2)cc1[N-]S(C)(=O)=O ZINC000096136745 222386640 /nfs/dbraw/zinc/38/66/40/222386640.db2.gz ASONKRHXJDFDBY-UHFFFAOYSA-N -1 1 389.477 3.186 50 0 GGAAMM Cc1ccc(SCc2ccc(C(=O)N3Cc4[nH]cnc4C[C@H]3C(=O)[O-])o2)cc1 ZINC000096166387 222395128 /nfs/dbraw/zinc/39/51/28/222395128.db2.gz HNYWOCBSQMDQRP-KRWDZBQOSA-N -1 1 397.456 3.255 50 0 GGAAMM O=C(NC1(c2ccccc2)CC1)c1cnc(COc2ccc(F)cc2)[n-]c1=O ZINC000091915459 534786568 /nfs/dbraw/zinc/78/65/68/534786568.db2.gz VRUFKLSABCJYDN-UHFFFAOYSA-N -1 1 379.391 3.319 50 0 GGAAMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2C)cc1 ZINC000004756957 525296770 /nfs/dbraw/zinc/29/67/70/525296770.db2.gz HVFQWWPAZXYPRB-SFHVURJKSA-N -1 1 388.489 3.013 50 0 GGAAMM C[C@]1(O)Cc2[n-][nH]c(=O)c2[C@@H](c2ccc(Cl)cc2)[C@H]1C(=O)Nc1ccccc1 ZINC000248054911 525313957 /nfs/dbraw/zinc/31/39/57/525313957.db2.gz YFMAICZYSYQHBQ-MMOPVJDHSA-N -1 1 397.862 3.463 50 0 GGAAMM CCN(C(=O)c1cnc(-c2csc(C)n2)[n-]c1=O)[C@H]1CCOC(C)(C)C1 ZINC000091587278 529097288 /nfs/dbraw/zinc/09/72/88/529097288.db2.gz YEASNFNGOONOGU-LBPRGKRZSA-N -1 1 376.482 3.034 50 0 GGAAMM O=S(=O)([N-]CCc1csc(-c2cccnc2)n1)c1cc(F)ccc1F ZINC000004166879 564201422 /nfs/dbraw/zinc/20/14/22/564201422.db2.gz MFFQLPRDOSCVCN-UHFFFAOYSA-N -1 1 381.429 3.004 50 0 GGAAMM Cc1cc(=O)[n-]c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 ZINC000005042962 564211296 /nfs/dbraw/zinc/21/12/96/564211296.db2.gz QQTPUGVSECOKPL-UHFFFAOYSA-N -1 1 377.775 3.481 50 0 GGAAMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1N1CCCC1=O ZINC000005329662 564215661 /nfs/dbraw/zinc/21/56/61/564215661.db2.gz HTQHNQUXZGAIEB-UHFFFAOYSA-N -1 1 380.853 3.276 50 0 GGAAMM Cc1cc2c([n-]c(=S)n(NC(=O)CSCc3ccc(C)cc3)c2=O)s1 ZINC000006788294 564227420 /nfs/dbraw/zinc/22/74/20/564227420.db2.gz QHVLZJLBKPKERX-UHFFFAOYSA-N -1 1 391.543 3.367 50 0 GGAAMM O=C1[C@H]2C(c3ccc(F)cc3)=NOC2=C([O-])N1c1cc(Cl)cc(Cl)c1 ZINC000008378878 564248651 /nfs/dbraw/zinc/24/86/51/564248651.db2.gz YWNXZCYPYAJTCA-ZFWWWQNUSA-N -1 1 379.174 3.425 50 0 GGAAMM CCCc1nnc([N-]C(=O)c2nc(SCC)ncc2Br)s1 ZINC000027794755 564356791 /nfs/dbraw/zinc/35/67/91/564356791.db2.gz BUPJAZDYBHMPBD-UHFFFAOYSA-N -1 1 388.316 3.407 50 0 GGAAMM [O-]c1cc(Br)ccc1-c1nnc(I)s1 ZINC000071052443 564855313 /nfs/dbraw/zinc/85/53/13/564855313.db2.gz QULBJLBPGREIDP-UHFFFAOYSA-N -1 1 383.008 3.278 50 0 GGAAMM CSCc1nc(CNC(=O)c2cnc(-c3cccs3)[n-]c2=O)cs1 ZINC000091390899 564871841 /nfs/dbraw/zinc/87/18/41/564871841.db2.gz BGEGCNGWAJBFCK-UHFFFAOYSA-N -1 1 378.504 3.160 50 0 GGAAMM COC(=O)c1[n-]c(=NC(=O)c2cc(-c3cccs3)n[nH]2)sc1C(C)C ZINC000095472989 564900444 /nfs/dbraw/zinc/90/04/44/564900444.db2.gz OMMLRWZJQXYDNV-UHFFFAOYSA-N -1 1 376.463 3.179 50 0 GGAAMM O=C(Nn1c(=O)c2ccccc2[n-]c1=S)c1ccc(Br)cc1 ZINC000100849781 564914740 /nfs/dbraw/zinc/91/47/40/564914740.db2.gz KZJNYIQQCJFNBC-UHFFFAOYSA-N -1 1 376.235 3.205 50 0 GGAAMM O=C1[C@@H]2C(c3ccc(F)cc3)=NOC2=C([O-])N1c1cc(Cl)ccc1Cl ZINC000101177390 564915582 /nfs/dbraw/zinc/91/55/82/564915582.db2.gz KYVLRSKIYDRFFT-HIFRSBDPSA-N -1 1 379.174 3.425 50 0 GGAAMM O=C(COc1c(Cl)cccc1Cl)Nn1c(=O)c2ccccc2[n-]c1=S ZINC000102228995 564926699 /nfs/dbraw/zinc/92/66/99/564926699.db2.gz WQVUYXUUHXSFEC-UHFFFAOYSA-N -1 1 396.255 3.141 50 0 GGAAMM Cc1ccccc1-c1csc2c1[n-]c(N1CCC3(CC1)OCCO3)nc2=O ZINC000048990006 570256675 /nfs/dbraw/zinc/25/66/75/570256675.db2.gz BIFRVEIIQMUMLU-UHFFFAOYSA-N -1 1 383.473 3.303 50 0 biogenic GGAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC4(CC2)OCCO4)nc3=O)c1 ZINC000048989980 570256939 /nfs/dbraw/zinc/25/69/39/570256939.db2.gz JNPZGJRBYHVGNA-UHFFFAOYSA-N -1 1 383.473 3.303 50 0 biogenic GGAAMM O=C(NC1CC1)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421121 570267293 /nfs/dbraw/zinc/26/72/93/570267293.db2.gz RMULVHSAJKOFBE-CQSZACIVSA-N -1 1 394.500 3.147 50 0 GGAAMM CC(=O)c1ccc(N2CCN([C@@H](C(=O)[O-])c3c[nH]c4cc(F)ccc43)CC2)cc1 ZINC000020746110 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Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cnn1-c1nc(C)cc(=O)[n-]1 ZINC000035598405 204273896 /nfs/dbraw/zinc/27/38/96/204273896.db2.gz OKJRQMMSIKMUKD-UHFFFAOYSA-N -1 1 377.326 3.256 50 0 GGAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1C(=O)N1CCCC1 ZINC000008560429 204278939 /nfs/dbraw/zinc/27/89/39/204278939.db2.gz ZTQRRKJTDNLDJE-UHFFFAOYSA-N -1 1 396.415 3.010 50 0 GGAAMM COC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000009526100 204314108 /nfs/dbraw/zinc/31/41/08/204314108.db2.gz MTYLDEZGUVAIEO-INIZCTEOSA-N -1 1 390.505 3.177 50 0 GGAAMM Cc1ccc2c(c1)N=C(SCC(=O)Nc1cc(C)cc(C)c1)[N-]S2(=O)=O ZINC000009530191 204315391 /nfs/dbraw/zinc/31/53/91/204315391.db2.gz QOOFHTYSCBIWHG-UHFFFAOYSA-N -1 1 389.502 3.454 50 0 GGAAMM COc1ccc2c(c1)c([C@H](C(=O)[O-])[N@@H+]1C[C@H](C)C[C@H](C)C1)cn2CCC(=O)[O-] ZINC000036369968 204321073 /nfs/dbraw/zinc/32/10/73/204321073.db2.gz CVZYCCJMVMSEJF-LAPQFRIASA-N -1 1 388.464 3.228 50 0 biogenic GGAAMM Cn1c2ccc(S(=O)(=O)[N-]c3ccccc3-c3ccccc3)cc2n(C)c1=O ZINC000011615481 204347312 /nfs/dbraw/zinc/34/73/12/204347312.db2.gz VHXCBIMQURZHKP-UHFFFAOYSA-N -1 1 393.468 3.345 50 0 GGAAMM O=C1N[C@H](c2cccc(Cl)c2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000011859132 204358257 /nfs/dbraw/zinc/35/82/57/204358257.db2.gz DXEIDRUWAJRMAR-CPUCHLNUSA-N -1 1 398.768 3.444 50 0 GGAAMM COc1ccc(NC(=O)[C@@H](C)Sc2nc3c(c(=O)[n-]2)CCC3)cc1Cl ZINC000011902930 204360522 /nfs/dbraw/zinc/36/05/22/204360522.db2.gz BAJRYFLAGNDEQY-SECBINFHSA-N -1 1 379.869 3.040 50 0 GGAAMM O=C(CSc1nc2c(c(=O)[n-]1)CCCC2)Nc1cccc(Br)c1 ZINC000011905533 204361456 /nfs/dbraw/zinc/36/14/56/204361456.db2.gz JEEXXHWRSMAAPR-UHFFFAOYSA-N -1 1 394.294 3.142 50 0 GGAAMM CCc1ccc(Nc2nc(-c3cnc(N4CCCC4)nc3C)cc(=O)[n-]2)cc1 ZINC000039383739 205041401 /nfs/dbraw/zinc/04/14/01/205041401.db2.gz IOFWUHFWTYYQJE-UHFFFAOYSA-N -1 1 376.464 3.442 50 0 GGAAMM CC(C)Oc1cccc(-c2noc(-c3ccc(S(=O)(=O)[N-]C4CC4)o3)n2)c1 ZINC000036357561 205014756 /nfs/dbraw/zinc/01/47/56/205014756.db2.gz RQJVTCAWNSGFKM-UHFFFAOYSA-N -1 1 389.433 3.225 50 0 GGAAMM C[C@@H]1C[C@H](C)C[N@@H+]([C@@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(Cl)ccc23)C1 ZINC000036366942 205015346 /nfs/dbraw/zinc/01/53/46/205015346.db2.gz PXNCHQQZUARSEF-FTLABTOESA-N -1 1 378.856 3.483 50 0 GGAAMM Cc1nc2[n-]cnn2c(=O)c1CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000036579832 205018236 /nfs/dbraw/zinc/01/82/36/205018236.db2.gz PKRRSPCHHANUJF-UHFFFAOYSA-N -1 1 399.760 3.382 50 0 GGAAMM COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000040310339 205023401 /nfs/dbraw/zinc/02/34/01/205023401.db2.gz UIYYITPAOAQXEA-IBGZPJMESA-N -1 1 392.415 3.296 50 0 biogenic GGAAMM O=C([O-])c1ccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2cccc(F)c2)cc1 ZINC000040284671 205061653 /nfs/dbraw/zinc/06/16/53/205061653.db2.gz YFXHVYVLLUJNSJ-SFHVURJKSA-N -1 1 380.379 3.427 50 0 GGAAMM CCc1c(C)nc(SCc2nc(-c3ccc(OC)c(OC)c3)no2)[n-]c1=O ZINC000044169439 205084539 /nfs/dbraw/zinc/08/45/39/205084539.db2.gz CRMICBQFPSQSQW-UHFFFAOYSA-N -1 1 388.449 3.000 50 0 GGAAMM COCc1nc2cc([N-]S(=O)(=O)c3ccc(Br)cc3)ccc2[nH]1 ZINC000044921522 205090871 /nfs/dbraw/zinc/09/08/71/205090871.db2.gz ZYFCQCZKBGISED-UHFFFAOYSA-N -1 1 396.266 3.273 50 0 GGAAMM CCc1oc(C(=O)NCCOc2cccc(C(=O)[O-])c2)cc1CN(CC)CC ZINC000055154104 205143584 /nfs/dbraw/zinc/14/35/84/205143584.db2.gz INRAPYMLENYHEB-UHFFFAOYSA-N -1 1 388.464 3.191 50 0 GGAAMM O=C(NC[C@H]1CCCO1)c1cc2ccc([O-])cc2o/c1=N\c1cccc(F)c1 ZINC000067298603 205245379 /nfs/dbraw/zinc/24/53/79/205245379.db2.gz VLNXQXJFUIZFMJ-PJXFJRINSA-N -1 1 382.391 3.419 50 0 GGAAMM O=c1nc(N2CCC3(CC2)OCCO3)[n-]c2c(-c3ccc(F)cc3)csc21 ZINC000065314515 205229538 /nfs/dbraw/zinc/22/95/38/205229538.db2.gz MCJDTCARSJXWPG-UHFFFAOYSA-N -1 1 387.436 3.134 50 0 biogenic GGAAMM COc1ccccc1[C@@H]1CNC(=O)c2[n-]c(C(=O)Nc3ccccc3C)nc2C1 ZINC000065375317 205232901 /nfs/dbraw/zinc/23/29/01/205232901.db2.gz PGZLPDXIQKQBTL-AWEZNQCLSA-N -1 1 390.443 3.049 50 0 GGAAMM O=C(NC[C@H]1CCCO1)c1cc2ccc([O-])cc2o/c1=N\c1ccc(F)cc1 ZINC000067298612 205244949 /nfs/dbraw/zinc/24/49/49/205244949.db2.gz CLZMJNOBBJHCPU-PJXFJRINSA-N -1 1 382.391 3.419 50 0 GGAAMM Cc1nc[nH]c1-c1nnc(SCC(=O)[O-])n1-c1ccccc1C(F)(F)F ZINC000067866899 205264608 /nfs/dbraw/zinc/26/46/08/205264608.db2.gz JMPBPLKNTYEYIE-UHFFFAOYSA-N -1 1 383.355 3.161 50 0 GGAAMM CCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)c1ccccc1NCC(=O)[O-] ZINC000067956283 205269820 /nfs/dbraw/zinc/26/98/20/205269820.db2.gz NZAWGUJPDVVZRB-UHFFFAOYSA-N -1 1 380.448 3.073 50 0 GGAAMM CCn1nc(C(=O)[O-])c2c1CC[C@H](N(C)Cc1cc(-c3ccccc3)on1)C2 ZINC000067983565 205270659 /nfs/dbraw/zinc/27/06/59/205270659.db2.gz DVLQEFKXFHVKLJ-INIZCTEOSA-N -1 1 380.448 3.246 50 0 GGAAMM Cc1ccccc1CC[C@H]1CCCN(C(=O)c2cnc3cc(=O)[n-]n3c2C)C1 ZINC000071551962 205285892 /nfs/dbraw/zinc/28/58/92/205285892.db2.gz UBKQJJOOSMVDIY-QGZVFWFLSA-N -1 1 378.476 3.124 50 0 GGAAMM CC(C)n1[n-]c(=O)c2c1NC(=O)C[C@@]21C(=O)Nc2c1cc(Cl)cc2Cl ZINC000071281075 205279333 /nfs/dbraw/zinc/27/93/33/205279333.db2.gz CFUKHZARBQEBDW-INIZCTEOSA-N -1 1 381.219 3.294 50 0 GGAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccncc4)nc3c2)cc1 ZINC000071284034 205279394 /nfs/dbraw/zinc/27/93/94/205279394.db2.gz YNIFDPYYYIOCAB-UHFFFAOYSA-N -1 1 380.429 3.434 50 0 GGAAMM Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1ccc([O-])c(Cl)c1)CC(=O)N2 ZINC000071283012 205280263 /nfs/dbraw/zinc/28/02/63/205280263.db2.gz IWPHESQECAJZJO-NWDGAFQWSA-N -1 1 395.868 3.034 50 0 GGAAMM CCCCSCc1cc(C(=O)N2CCc3nc[nH]c3[C@H]2C(=O)[O-])oc1C ZINC000072407199 205345962 /nfs/dbraw/zinc/34/59/62/205345962.db2.gz XHYHGRVAQNVFHQ-INIZCTEOSA-N -1 1 377.466 3.169 50 0 GGAAMM CCCCSCc1cc(C(=O)N2CCc3nc[nH]c3[C@@H]2C(=O)[O-])oc1C ZINC000072407198 205346046 /nfs/dbraw/zinc/34/60/46/205346046.db2.gz XHYHGRVAQNVFHQ-MRXNPFEDSA-N -1 1 377.466 3.169 50 0 GGAAMM COc1ccc(CN2CCC(Oc3cccc(F)c3)(C(=O)[O-])CC2)cc1O ZINC000082097938 205384960 /nfs/dbraw/zinc/38/49/60/205384960.db2.gz GGDZNWIGGKMDBM-UHFFFAOYSA-N -1 1 375.396 3.038 50 0 GGAAMM Cc1ccc(OC2(C(=O)[O-])CCN(Cc3cnc(N(C)C)s3)CC2)cc1 ZINC000082135088 205386618 /nfs/dbraw/zinc/38/66/18/205386618.db2.gz FXVOVWFCEPDEPP-UHFFFAOYSA-N -1 1 375.494 3.016 50 0 GGAAMM Cc1nn(C)cc1CN1CCC(Oc2ccc3ccccc3c2)(C(=O)[O-])CC1 ZINC000082139005 205387831 /nfs/dbraw/zinc/38/78/31/205387831.db2.gz MCXGDDPLHSUNNM-UHFFFAOYSA-N -1 1 379.460 3.380 50 0 GGAAMM COc1ccc(F)cc1CN1CCC(Oc2cccc(F)c2)(C(=O)[O-])CC1 ZINC000082157846 205389410 /nfs/dbraw/zinc/38/94/10/205389410.db2.gz QPRXPKYDUXDVLW-UHFFFAOYSA-N -1 1 377.387 3.472 50 0 GGAAMM Cc1c(CN2CCC(Oc3ccc4ccccc4c3)(C(=O)[O-])CC2)cnn1C ZINC000082155851 205389750 /nfs/dbraw/zinc/38/97/50/205389750.db2.gz TZWGNHXOXLZUHH-UHFFFAOYSA-N -1 1 379.460 3.380 50 0 GGAAMM Cc1cc(=O)[n-]c(SCc2nc(-c3ccc(Br)cc3)no2)n1 ZINC000085889414 205401463 /nfs/dbraw/zinc/40/14/63/205401463.db2.gz KSUMFMFJYMDLRS-UHFFFAOYSA-N -1 1 379.239 3.183 50 0 GGAAMM O=C(NCCCSCc1ccccc1Cl)c1cnc(C2CC2)[n-]c1=O ZINC000097099136 205584141 /nfs/dbraw/zinc/58/41/41/205584141.db2.gz YIJOHJSNLLGOPR-UHFFFAOYSA-N -1 1 377.897 3.354 50 0 GGAAMM Cc1cc(NC(=O)C(c2ccccc2)c2ccccc2)n(-c2nc(C)cc(=O)[n-]2)n1 ZINC000007419105 205784068 /nfs/dbraw/zinc/78/40/68/205784068.db2.gz FUPVVWCOSSAOJJ-UHFFFAOYSA-N -1 1 399.454 3.343 50 0 GGAAMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCO2)ccc1C ZINC000001051279 205806260 /nfs/dbraw/zinc/80/62/60/205806260.db2.gz MYKMYYZMMGWEJT-KRWDZBQOSA-N -1 1 388.489 3.013 50 0 GGAAMM CC(C)c1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)c2ccc(F)c(F)c2)n1 ZINC000012126118 205871726 /nfs/dbraw/zinc/87/17/26/205871726.db2.gz CYDUUWAXLCAKNR-UHFFFAOYSA-N -1 1 399.401 3.487 50 0 GGAAMM O=C([O-])COc1ccc(-c2cnccn2)cc1CN1CCc2ccccc2C1 ZINC000223662544 206004910 /nfs/dbraw/zinc/00/49/10/206004910.db2.gz XUPKEVSAIHREBA-UHFFFAOYSA-N -1 1 375.428 3.165 50 0 GGAAMM Cc1cc(=O)[n-]c(SCc2nc(-c3ccc(OC(F)(F)F)cc3)no2)n1 ZINC000065330987 206105933 /nfs/dbraw/zinc/10/59/33/206105933.db2.gz VPNWYKYLGMOYGF-UHFFFAOYSA-N -1 1 384.339 3.319 50 0 GGAAMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)c1cccnc1O[C@@H]1CCSC1 ZINC000252527619 206141544 /nfs/dbraw/zinc/14/15/44/206141544.db2.gz CZWNJRIYLPLSCH-CQSZACIVSA-N -1 1 382.445 3.110 50 0 GGAAMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)c1cccnc1O[C@H]1CCSC1 ZINC000252527618 206142134 /nfs/dbraw/zinc/14/21/34/206142134.db2.gz CZWNJRIYLPLSCH-AWEZNQCLSA-N -1 1 382.445 3.110 50 0 GGAAMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@@]2(C3=CCOCC3)COCC[C@H]12 ZINC000244594142 206128554 /nfs/dbraw/zinc/12/85/54/206128554.db2.gz DHDSAIZNCIAWJV-ICSRJNTNSA-N -1 1 377.868 3.404 50 0 GGAAMM Cc1cc2c3c(c1)C(CSc1nc(C)cc(=O)[n-]1)=CC(C)(C)N3C(=O)C2=O ZINC000253495398 206209308 /nfs/dbraw/zinc/20/93/08/206209308.db2.gz CEDLFQNBVUOJOQ-UHFFFAOYSA-N -1 1 381.457 3.296 50 0 GGAAMM CCc1c(C)nc(SCC(=O)N2CCC(Cc3ccccc3)CC2)[n-]c1=O ZINC000005021656 220813055 /nfs/dbraw/zinc/81/30/55/220813055.db2.gz HDASUBFXEDIXAA-UHFFFAOYSA-N -1 1 385.533 3.214 50 0 GGAAMM CC(=O)Nc1cccc(NC(=O)CCc2c(C)c3ccc([O-])cc3oc2=O)c1 ZINC000012893757 221242719 /nfs/dbraw/zinc/24/27/19/221242719.db2.gz GATGZWODOAUXSI-UHFFFAOYSA-N -1 1 380.400 3.337 50 0 biogenic GGAAMM C[C@H]1CN(c2ccccc2)CCN1C(=O)c1cnc(-c2cccs2)[n-]c1=O ZINC000092003332 136177379 /nfs/dbraw/zinc/17/73/79/136177379.db2.gz MMSSXDNBTQXIBX-AWEZNQCLSA-N -1 1 380.473 3.262 50 0 GGAAMM CC(C)OCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000004757024 519764361 /nfs/dbraw/zinc/76/43/61/519764361.db2.gz RNBLOLSQWFZKPJ-UHFFFAOYSA-N -1 1 376.478 3.032 50 0 GGAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC)cc1F ZINC000008962397 535401964 /nfs/dbraw/zinc/40/19/64/535401964.db2.gz XYWLYNKLENSKCO-UHFFFAOYSA-N -1 1 392.452 3.324 50 0 GGAAMM COc1cc([O-])c2c(=O)cc(-c3cc(OC)c(OC)c(OC)c3OC)oc2c1 ZINC000002561257 560187928 /nfs/dbraw/zinc/18/79/28/560187928.db2.gz UQKOTVMFJYMJEP-UHFFFAOYSA-N -1 1 388.372 3.209 50 0 biogenic,in-vitro GGAAMM CC1=NN(C(=O)c2cc(Br)ccc2[O-])[C@@](O)(c2ccccc2)C1 ZINC000001196729 564184702 /nfs/dbraw/zinc/18/47/02/564184702.db2.gz MOJXXBFFYKFLLX-KRWDZBQOSA-N -1 1 375.222 3.222 50 0 GGAAMM COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1Cl ZINC000003211053 564194372 /nfs/dbraw/zinc/19/43/72/564194372.db2.gz ZOFSVBFLCUNRCN-UHFFFAOYSA-N -1 1 385.825 3.165 50 0 GGAAMM CCOC(=O)[N-]C(=O)c1ccsc1NC(=O)c1nc2ccccc2s1 ZINC000004275787 564202312 /nfs/dbraw/zinc/20/23/12/564202312.db2.gz ISNBJLXHBBZKSL-UHFFFAOYSA-N -1 1 375.431 3.496 50 0 in-vitro GGAAMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1 ZINC000007055225 564231823 /nfs/dbraw/zinc/23/18/23/564231823.db2.gz VFBJJBNQZHYYIN-UHFFFAOYSA-N -1 1 384.251 3.427 50 0 GGAAMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2cc(C)c(Cl)cc2OC)n1 ZINC000012566960 564269226 /nfs/dbraw/zinc/26/92/26/564269226.db2.gz UICPEDTYLCSPST-UHFFFAOYSA-N -1 1 381.885 3.424 50 0 GGAAMM Cc1ccc(S(=O)(=O)Oc2ccc(C=C3SC(=O)[N-]C3=O)cc2)cc1 ZINC000013549852 564277442 /nfs/dbraw/zinc/27/74/42/564277442.db2.gz JKNLSYRBVXZMDV-GDNBJRDFSA-N -1 1 375.427 3.087 50 0 GGAAMM C[C@@H](Sc1nc2c(c(=O)[n-]1)CCC2)C(=O)Nc1ccc(Br)cc1 ZINC000015834957 564290430 /nfs/dbraw/zinc/29/04/30/564290430.db2.gz HIUYOBFOTSVZGM-SECBINFHSA-N -1 1 394.294 3.140 50 0 GGAAMM Cc1cc(Cl)ccc1NC(=O)CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000017196795 564297185 /nfs/dbraw/zinc/29/71/85/564297185.db2.gz FBMUJHQQDGOBFY-UHFFFAOYSA-N -1 1 377.775 3.481 50 0 GGAAMM C[C@]1(O)CC(c2ccccc2)=NN1C(=O)c1cc(Br)ccc1[O-] ZINC000018190403 564301232 /nfs/dbraw/zinc/30/12/32/564301232.db2.gz YKLYLPPMBYOVRA-KRWDZBQOSA-N -1 1 375.222 3.113 50 0 GGAAMM CC1CCN(c2nc(N)c(C(=S)Nc3ccc(Cl)cc3)c(=O)[n-]2)CC1 ZINC000040385544 564427089 /nfs/dbraw/zinc/42/70/89/564427089.db2.gz PNVLINOLAHNELH-UHFFFAOYSA-N -1 1 377.901 3.029 50 0 GGAAMM Cc1csc([C@H](C)N(C)C(=O)c2cnc(-c3csc(C)n3)[n-]c2=O)n1 ZINC000091410482 564871891 /nfs/dbraw/zinc/87/18/91/564871891.db2.gz WTTAECZZRLYNCH-VIFPVBQESA-N -1 1 375.479 3.212 50 0 GGAAMM O=C(Cn1ccc2ccc(Br)cc21)Nc1n[n-]c(C(F)(F)F)n1 ZINC000095475578 564899900 /nfs/dbraw/zinc/89/99/00/564899900.db2.gz WURIRFWPMAZYIE-UHFFFAOYSA-N -1 1 388.147 3.179 50 0 GGAAMM O=C1[C@@H]2C(c3ccc(F)cc3)=NOC2=C([O-])N1c1ccc(Cl)cc1Cl ZINC000101141281 564915727 /nfs/dbraw/zinc/91/57/27/564915727.db2.gz HQQMJKDVERMHIE-HIFRSBDPSA-N -1 1 379.174 3.425 50 0 GGAAMM Cc1ccccc1-n1c([O-])c(Cc2c(Cl)cccc2Cl)c(=O)[nH]c1=O ZINC000102401230 564929439 /nfs/dbraw/zinc/92/94/39/564929439.db2.gz TXRKLXKYFJXYNH-UHFFFAOYSA-N -1 1 377.227 3.437 50 0 GGAAMM O=C1C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c(Cl)s2)CN1C1CCCC1 ZINC000670444932 566361744 /nfs/dbraw/zinc/36/17/44/566361744.db2.gz XGNDMXFQFIPUHQ-VIFPVBQESA-N -1 1 397.349 3.124 50 0 GGAAMM Cc1nc(-c2ncc(C(=O)N(Cc3cccc(O)c3)C3CC3)c(=O)[n-]2)cs1 ZINC000096165365 570217864 /nfs/dbraw/zinc/21/78/64/570217864.db2.gz QPEIELUHGCGZIA-UHFFFAOYSA-N -1 1 382.445 3.125 50 0 GGAAMM O=C(c1cccnc1)N1CCc2cc([N-]S(=O)(=O)c3ccccc3)ccc21 ZINC000019819310 570222473 /nfs/dbraw/zinc/22/24/73/570222473.db2.gz UETAWCNUMLALQE-UHFFFAOYSA-N -1 1 379.441 3.085 50 0 GGAAMM COc1c2c(cc([C@@H]3SC(C)=Nc4c3c(=O)[n-]n4C(C)C)c1OC)OCO2 ZINC000085412245 570225977 /nfs/dbraw/zinc/22/59/77/570225977.db2.gz FTFIZMWAMGKBKT-INIZCTEOSA-N -1 1 391.449 3.389 50 0 GGAAMM O=S(=O)([N-]c1ccc(F)cc1)c1cccc(S(=O)(=O)c2ccccc2)c1 ZINC000000859499 570227147 /nfs/dbraw/zinc/22/71/47/570227147.db2.gz PMTRTDDYWCOAPC-UHFFFAOYSA-N -1 1 391.445 3.459 50 0 GGAAMM COc1ccc(-n2c(=S)[n-]c(=O)c3c2NCN(CCc2ccccc2)C3)cc1 ZINC000019939431 570232348 /nfs/dbraw/zinc/23/23/48/570232348.db2.gz HSIBHTORJFUVNB-UHFFFAOYSA-N -1 1 394.500 3.331 50 0 GGAAMM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1 ZINC000001030497 570235817 /nfs/dbraw/zinc/23/58/17/570235817.db2.gz OXKSCGPZGBIDHD-UHFFFAOYSA-N -1 1 386.395 3.343 50 0 GGAAMM COc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NC[C@@H]2CCCO2)cc1 ZINC000097970805 570261975 /nfs/dbraw/zinc/26/19/75/570261975.db2.gz PZGKEAVCAIEKPC-LWVPEANGSA-N -1 1 394.427 3.288 50 0 GGAAMM O=c1cc(CN2CCN(Cc3ccccc3)CC2)c2cc(Cl)c([O-])cc2o1 ZINC000020502001 570264740 /nfs/dbraw/zinc/26/47/40/570264740.db2.gz NBKDZZXAEPBHHG-UHFFFAOYSA-N -1 1 384.863 3.470 50 0 GGAAMM CCCNC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421108 570267300 /nfs/dbraw/zinc/26/73/00/570267300.db2.gz NFGBTEPTHZWRDY-OAHLLOKOSA-N -1 1 396.516 3.394 50 0 GGAAMM COc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccncc3)cc2)c1 ZINC000006138924 570276569 /nfs/dbraw/zinc/27/65/69/570276569.db2.gz PEWOJWNOBFIIGO-UHFFFAOYSA-N -1 1 383.429 3.143 50 0 GGAAMM CCOc1ccc2nc(SCC(=O)Nc3ccc(O)c(C(=O)[O-])c3)[nH]c2c1 ZINC000002787163 570302232 /nfs/dbraw/zinc/30/22/32/570302232.db2.gz UAOBQVCONBLZLW-UHFFFAOYSA-N -1 1 387.417 3.096 50 0 GGAAMM COc1cc2nc(=S)n3nc(COc4ccccc4C)[n-]c3c2cc1OC ZINC000015974141 570303970 /nfs/dbraw/zinc/30/39/70/570303970.db2.gz ZHAVTFWWWPKUJB-UHFFFAOYSA-N -1 1 382.445 3.471 50 0 GGAAMM COC(=O)C[C@@H](c1ccccc1)c1c([O-])nc2ccc(C(F)(F)F)cn2c1=O ZINC000205979311 570357381 /nfs/dbraw/zinc/35/73/81/570357381.db2.gz LKGATXAEYPJKLE-ZDUSSCGKSA-N -1 1 392.333 3.114 50 0 GGAAMM COc1cccc(NC(=O)CSc2nc(C)c(Cc3ccccc3)c(=O)[n-]2)c1 ZINC000004754932 570403114 /nfs/dbraw/zinc/40/31/14/570403114.db2.gz HWQXLVQSPIZLBB-UHFFFAOYSA-N -1 1 395.484 3.409 50 0 GGAAMM CCOC(=O)[C@]1(C)C=C(Nc2ccccc2C(=O)[O-])C(=O)N1c1ccccc1 ZINC000001823490 570436413 /nfs/dbraw/zinc/43/64/13/570436413.db2.gz SKJHLTIMOZUVFU-NRFANRHFSA-N -1 1 380.400 3.049 50 0 GGAAMM CC(=O)Nc1cc(-c2cccs2)nn1-c1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000011855209 570439027 /nfs/dbraw/zinc/43/90/27/570439027.db2.gz OACQWDOIEUEJCF-UHFFFAOYSA-N -1 1 377.429 3.310 50 0 GGAAMM CCCc1cc(=O)[n-]c(-n2nc(-c3ccco3)cc2NC(=O)C2CCCC2)n1 ZINC000012007112 570453911 /nfs/dbraw/zinc/45/39/11/570453911.db2.gz PNXLHRUXQQDASU-UHFFFAOYSA-N -1 1 381.436 3.297 50 0 GGAAMM O=C(Nc1cc(-c2ccco2)nn1-c1nc(-c2ccccc2)cc(=O)[n-]1)C1CC1 ZINC000012009055 570454413 /nfs/dbraw/zinc/45/44/13/570454413.db2.gz VEWRRGKTQNPYIM-UHFFFAOYSA-N -1 1 387.399 3.231 50 0 GGAAMM Cc1nc(SCC(=O)NCc2ccccc2)[n-]c(=O)c1Cc1ccccc1 ZINC000004626369 570497910 /nfs/dbraw/zinc/49/79/10/570497910.db2.gz MEIGGEDEPLDQNS-UHFFFAOYSA-N -1 1 379.485 3.490 50 0 GGAAMM CC(=O)c1cccc(NC(=O)CSc2nc(-c3ccccc3)cc(=O)[n-]2)c1 ZINC000005021681 570498704 /nfs/dbraw/zinc/49/87/04/570498704.db2.gz GNSXNYVEPTZXMM-UHFFFAOYSA-N -1 1 379.441 3.370 50 0 GGAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(N3CCCC3=O)c2)cc1F ZINC000005329550 570554858 /nfs/dbraw/zinc/55/48/58/570554858.db2.gz HPRQIPRIPPAJRW-UHFFFAOYSA-N -1 1 378.425 3.070 50 0 GGAAMM O=C1N[C@H](c2ccc(Cl)cc2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000169703528 570624190 /nfs/dbraw/zinc/62/41/90/570624190.db2.gz VHPRPHVOYMJCDB-VBQJREDUSA-N -1 1 398.768 3.444 50 0 GGAAMM COc1ccc(CNC(=O)CCc2c(C)c3ccc([O-])cc3oc2=O)cc1OC ZINC000004743289 570632190 /nfs/dbraw/zinc/63/21/90/570632190.db2.gz CFUHPXYWQJUOJZ-UHFFFAOYSA-N -1 1 397.427 3.073 50 0 biogenic GGAAMM NC(=O)c1ccccc1NC(=O)c1c[n-]c2c(cccc2C(F)(F)F)c1=O ZINC000012421846 570673118 /nfs/dbraw/zinc/67/31/18/570673118.db2.gz TZTQIHONGXPFJK-UHFFFAOYSA-N -1 1 375.306 3.310 50 0 GGAAMM Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)Nc1ccc2oc(=O)ccc2c1 ZINC000008765097 570681964 /nfs/dbraw/zinc/68/19/64/570681964.db2.gz OICYJHMCOVGWQC-UHFFFAOYSA-N -1 1 391.379 3.485 50 0 biogenic GGAAMM Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)N1CCCC[C@@H]1c1cccnc1 ZINC000526052345 570683258 /nfs/dbraw/zinc/68/32/58/570683258.db2.gz XZAKCEIQQUZOIK-LJQANCHMSA-N -1 1 378.428 3.498 50 0 GGAAMM COc1cc(NC(=O)CCc2c(C)c3ccc([O-])cc3oc2=O)cc(OC)c1 ZINC000013571266 570759379 /nfs/dbraw/zinc/75/93/79/570759379.db2.gz NOFZOTAWOPGOPI-UHFFFAOYSA-N -1 1 383.400 3.396 50 0 GGAAMM O=C(c1cccnc1)N1CCc2ccc([N-]S(=O)(=O)c3ccccc3)cc21 ZINC000013697120 570776950 /nfs/dbraw/zinc/77/69/50/570776950.db2.gz PGOFMLFCKRBHCV-UHFFFAOYSA-N -1 1 379.441 3.085 50 0 GGAAMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)cc1 ZINC000001199708 570793529 /nfs/dbraw/zinc/79/35/29/570793529.db2.gz SIPBKJGOPYMXCJ-UHFFFAOYSA-N -1 1 381.413 3.165 50 0 GGAAMM O=C([N-]n1c(=O)c2ccccc2[nH]c1=S)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000101607212 570827348 /nfs/dbraw/zinc/82/73/48/570827348.db2.gz FQTDKJJQAFEDAT-UHFFFAOYSA-N -1 1 397.847 3.113 50 0 GGAAMM O=C(Nn1c(=O)c2ccccc2[n-]c1=S)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000101607212 570827350 /nfs/dbraw/zinc/82/73/50/570827350.db2.gz FQTDKJJQAFEDAT-UHFFFAOYSA-N -1 1 397.847 3.113 50 0 GGAAMM COc1ccc(C(=O)CSc2nnc([N-]C(=O)c3cc(C)on3)s2)cc1 ZINC000042379209 570890234 /nfs/dbraw/zinc/89/02/34/570890234.db2.gz QVLXZCPHWHJRHR-UHFFFAOYSA-N -1 1 390.446 3.070 50 0 GGAAMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2oncc2-c2ccc(C)cc2)n1 ZINC000016841392 570913374 /nfs/dbraw/zinc/91/33/74/570913374.db2.gz JJPMHKCGRODUAJ-UHFFFAOYSA-N -1 1 384.461 3.417 50 0 GGAAMM COc1cccc(CSc2nc(CC(=O)Nc3cccnc3)cc(=O)[n-]2)c1 ZINC000023138128 570916107 /nfs/dbraw/zinc/91/61/07/570916107.db2.gz AKRTZLZTRUMZOL-UHFFFAOYSA-N -1 1 382.445 3.059 50 0 GGAAMM COc1cccc(C(Cc2c([O-])cc(C)oc2=O)Cc2c(O)cc(C)oc2=O)c1 ZINC000016756394 570933054 /nfs/dbraw/zinc/93/30/54/570933054.db2.gz BEMIRHHHMXSRHY-UHFFFAOYSA-N -1 1 398.411 3.199 50 0 GGAAMM C[C@]1(C2CCCCC2)Cc2ccccc2-c2nc(SCC(N)=O)[n-]c(=O)c21 ZINC000017044425 570937908 /nfs/dbraw/zinc/93/79/08/570937908.db2.gz BNWLNCUBWBXSDF-OAQYLSRUSA-N -1 1 383.517 3.408 50 0 GGAAMM COc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(=O)[n-]2)c(OC)c1 ZINC000018007870 570949593 /nfs/dbraw/zinc/94/95/93/570949593.db2.gz OWJZRWNCQDUUDZ-UHFFFAOYSA-N -1 1 397.456 3.185 50 0 GGAAMM O=C(Nc1nccs1)c1c([O-])n(Cc2ccccc2)c2ccccc2c1=O ZINC000001259943 570950478 /nfs/dbraw/zinc/95/04/78/570950478.db2.gz HYAVIHSXSUZODN-UHFFFAOYSA-N -1 1 377.425 3.464 50 0 GGAAMM Nc1nc(SCC(=O)Nc2ccc(Cl)cc2)[n-]c(=O)c1-c1ccccc1 ZINC000018182706 570951139 /nfs/dbraw/zinc/95/11/39/570951139.db2.gz ARPOBVHTDDPBQQ-UHFFFAOYSA-N -1 1 386.864 3.403 50 0 GGAAMM COc1ccc(OC)c(NC(=O)CSc2nc(-c3ccccc3)cc(=O)[n-]2)c1 ZINC000018206596 570951527 /nfs/dbraw/zinc/95/15/27/570951527.db2.gz ZLTFOMZLNGWJLI-UHFFFAOYSA-N -1 1 397.456 3.185 50 0 GGAAMM O=C1N[C@H](c2ccc(Cl)cc2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000001295761 570956279 /nfs/dbraw/zinc/95/62/79/570956279.db2.gz VHPRPHVOYMJCDB-JJRVBVJISA-N -1 1 398.768 3.444 50 0 GGAAMM CC[C@@H](C)n1c([O-])c([C@H]2OC(=O)c3c2ccc(OC)c3OC)c(=O)[nH]c1=S ZINC000002126294 570958095 /nfs/dbraw/zinc/95/80/95/570958095.db2.gz OSGJRKXNIUBYKE-OQPBUACISA-N -1 1 392.433 3.272 50 0 biogenic GGAAMM CC(C)c1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)Cc2ccc(F)cc2)n1 ZINC000012126343 570959635 /nfs/dbraw/zinc/95/96/35/570959635.db2.gz VNXMAOXIVFXEPQ-UHFFFAOYSA-N -1 1 395.438 3.277 50 0 GGAAMM Cc1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)c2cc3ccccc3o2)n1 ZINC000012123633 570959658 /nfs/dbraw/zinc/95/96/58/570959658.db2.gz FXGKXMHKUNMFOV-UHFFFAOYSA-N -1 1 375.388 3.140 50 0 GGAAMM COc1ccc(Cl)cc1C(=O)Nc1cc(C2CC2)nn1-c1nc(C)cc(=O)[n-]1 ZINC000012123276 570959796 /nfs/dbraw/zinc/95/97/96/570959796.db2.gz QKHNAWUSHOAPAZ-UHFFFAOYSA-N -1 1 399.838 3.056 50 0 GGAAMM CCc1c(C)nc(-n2nc(C3CC3)cc2NC(=O)CCc2ccccc2)[n-]c1=O ZINC000012128063 570960273 /nfs/dbraw/zinc/96/02/73/570960273.db2.gz OXEBXHMGVKEUQW-UHFFFAOYSA-N -1 1 391.475 3.275 50 0 GGAAMM O=C(c1cnc(-c2cccs2)[n-]c1=O)N1CCc2[nH]nc(C3CCC3)c2C1 ZINC000091381925 571005324 /nfs/dbraw/zinc/00/53/24/571005324.db2.gz ZXSDRBUAAYQTQG-UHFFFAOYSA-N -1 1 381.461 3.100 50 0 GGAAMM O=C(NCc1ccccc1-n1ccnc1)c1cnc(-c2cccs2)[n-]c1=O ZINC000091563329 571014974 /nfs/dbraw/zinc/01/49/74/571014974.db2.gz UZYAMDFHZVINQK-UHFFFAOYSA-N -1 1 377.429 3.026 50 0 GGAAMM CCN(C(=O)c1cnc(-c2csc(C)n2)[n-]c1=O)[C@@H]1CCOC(C)(C)C1 ZINC000091587277 571015996 /nfs/dbraw/zinc/01/59/96/571015996.db2.gz YEASNFNGOONOGU-GFCCVEGCSA-N -1 1 376.482 3.034 50 0 GGAAMM Cc1ccc(-c2ncc(C(=O)N(C)[C@@H](C)Cc3cc(C)ccn3)c(=O)[n-]2)cc1 ZINC000091665352 571024814 /nfs/dbraw/zinc/02/48/14/571024814.db2.gz FODPRDLIUREKPN-INIZCTEOSA-N -1 1 376.460 3.152 50 0 GGAAMM COCCN(Cc1ccccc1C)C(=O)c1cnc(-c2ccccc2)[n-]c1=O ZINC000091713551 571027400 /nfs/dbraw/zinc/02/74/00/571027400.db2.gz SMDXCUUCMKMJAC-UHFFFAOYSA-N -1 1 377.444 3.034 50 0 GGAAMM Cc1ccccc1OCCCN(C)C(=O)c1cnc(-c2ccccc2)[n-]c1=O ZINC000091907628 571035610 /nfs/dbraw/zinc/03/56/10/571035610.db2.gz KZJOFZOHKXXKGE-UHFFFAOYSA-N -1 1 377.444 3.286 50 0 GGAAMM C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)c1cnc(COc3ccccc3)[n-]c1=O)C2 ZINC000092065124 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1 380.444 3.446 50 0 GGAAMM CCCCn1c([O-])c(C(=O)NCc2ccc(OC)cc2)c(=O)c2ccccc21 ZINC000005737703 1398471946 /nfs/dbraw/zinc/47/19/46/1398471946.db2.gz QMFLDGINDXTCCL-UHFFFAOYSA-N -1 1 380.444 3.446 50 0 GGAAMM CCC(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2C1 ZINC000008977004 1398850562 /nfs/dbraw/zinc/85/05/62/1398850562.db2.gz IJKLUHDTLWKDNW-UHFFFAOYSA-N -1 1 376.453 3.230 50 0 GGAAMM CCN1c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2OCC(C)(C)C1=O ZINC000009166149 1398854550 /nfs/dbraw/zinc/85/45/50/1398854550.db2.gz JVBSWJZSRVZIFE-UHFFFAOYSA-N -1 1 392.452 3.398 50 0 GGAAMM CN1c2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2OCC(C)(C)C1=O ZINC000009165647 1398854633 /nfs/dbraw/zinc/85/46/33/1398854633.db2.gz KNBLQBSJVPXJBR-UHFFFAOYSA-N -1 1 378.425 3.008 50 0 GGAAMM CCN1CCOc2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2C1=O ZINC000009828202 1398867208 /nfs/dbraw/zinc/86/72/08/1398867208.db2.gz MZWPZWLCARZDSN-UHFFFAOYSA-N -1 1 398.843 3.134 50 0 GGAAMM Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)Nc1ccc2oc(=O)ccc2c1 ZINC000012897581 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CN1c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2OCC(C)(C)C1=O ZINC000009165494 206306910 /nfs/dbraw/zinc/30/69/10/206306910.db2.gz HBVUKYVBKHAMRW-UHFFFAOYSA-N -1 1 378.425 3.008 50 0 GGAAMM O=S(=O)([N-]c1ccc(I)cc1)c1ccc(F)cc1 ZINC000000643152 206312278 /nfs/dbraw/zinc/31/22/78/206312278.db2.gz MYPASIFOCGIFMI-UHFFFAOYSA-N -1 1 377.178 3.231 50 0 GGAAMM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(I)cc1 ZINC000000683091 206316752 /nfs/dbraw/zinc/31/67/52/206316752.db2.gz XUIGFLPOKPJKFV-UHFFFAOYSA-N -1 1 377.178 3.231 50 0 GGAAMM O=C(NCCc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000000707144 206317635 /nfs/dbraw/zinc/31/76/35/206317635.db2.gz REZGNPRWGWNXMN-UHFFFAOYSA-N -1 1 380.469 3.460 50 0 GGAAMM COc1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1NC(=O)c1ccncc1 ZINC000000784772 206320322 /nfs/dbraw/zinc/32/03/22/206320322.db2.gz YSMCLGFBPNOEAG-UHFFFAOYSA-N -1 1 397.456 3.452 50 0 GGAAMM CCN1c2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2OCC(C)(C)C1=O ZINC000009166296 206306433 /nfs/dbraw/zinc/30/64/33/206306433.db2.gz 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CC1=NN(C(=O)c2cc(Br)ccc2[O-])[C@](O)(c2ccccc2)C1 ZINC000001196731 206366171 /nfs/dbraw/zinc/36/61/71/206366171.db2.gz MOJXXBFFYKFLLX-QGZVFWFLSA-N -1 1 375.222 3.222 50 0 GGAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)cc1OC ZINC000001203572 206366202 /nfs/dbraw/zinc/36/62/02/206366202.db2.gz HMCCUKILKSNCHH-UHFFFAOYSA-N -1 1 384.413 3.224 50 0 GGAAMM O=C([O-])C[C@@H](NCc1ccccc1)C(=O)Nc1ccccc1Br ZINC000001874533 206392558 /nfs/dbraw/zinc/39/25/58/206392558.db2.gz SBNKFWIVYNYIEC-OAHLLOKOSA-N -1 1 377.238 3.021 50 0 GGAAMM COc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NC[C@H]2CCCO2)cc1 ZINC000012706198 206925784 /nfs/dbraw/zinc/92/57/84/206925784.db2.gz PZGKEAVCAIEKPC-FNWSHLARSA-N -1 1 394.427 3.288 50 0 GGAAMM Cc1cc(C(=O)NCc2ccccn2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000013679255 206988411 /nfs/dbraw/zinc/98/84/11/206988411.db2.gz FESNPXIAQJYTBS-UHFFFAOYSA-N -1 1 381.457 3.121 50 0 GGAAMM Cc1c([N-]S(=O)(=O)Cc2cccc(Cl)c2)c(=O)n(-c2ccccc2)n1C ZINC000013997875 207008436 /nfs/dbraw/zinc/00/84/36/207008436.db2.gz UJVSDLXIUJQMKR-UHFFFAOYSA-N -1 1 391.880 3.080 50 0 GGAAMM O=C(NCCc1ccccc1)C(=C([O-])c1ccccc1)n1cc(Cl)ccc1=O ZINC000013897327 207004031 /nfs/dbraw/zinc/00/40/31/207004031.db2.gz BXARECGHRSFEKD-FQEVSTJZSA-N -1 1 394.858 3.285 50 0 GGAAMM Cc1c([N-]S(=O)(=O)Cc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C ZINC000013997878 207007435 /nfs/dbraw/zinc/00/74/35/207007435.db2.gz HWAOCBICKZCTHL-UHFFFAOYSA-N -1 1 391.880 3.080 50 0 GGAAMM C[C@]1(O)Cc2[n-][nH]c(=O)c2[C@@H](c2ccc(Cl)cc2)[C@@H]1C(=O)Nc1ccccc1 ZINC000015081092 207047167 /nfs/dbraw/zinc/04/71/67/207047167.db2.gz YFMAICZYSYQHBQ-BLIXFSHQSA-N -1 1 397.862 3.463 50 0 GGAAMM O=C(Nn1c(=O)c2cc(Cc3ccccc3)sc2[n-]c1=S)c1ccncc1 ZINC000017080620 207085024 /nfs/dbraw/zinc/08/50/24/207085024.db2.gz NJAVVHXTLWBKJF-UHFFFAOYSA-N -1 1 394.481 3.490 50 0 GGAAMM Cc1ccc(CNC(=O)Cc2cc(=O)[n-]c(SCc3ccc(F)cc3)n2)cc1 ZINC000016851343 207080560 /nfs/dbraw/zinc/08/05/60/207080560.db2.gz YPVLVHLDSQBFDV-UHFFFAOYSA-N -1 1 397.475 3.369 50 0 GGAAMM CC(C)[C@@H]1Cc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc([S-])n32)CO1 ZINC000017945424 207091340 /nfs/dbraw/zinc/09/13/40/207091340.db2.gz BIEBGNBKXUFUTG-ZDUSSCGKSA-N -1 1 398.513 3.481 50 0 GGAAMM Cc1ccc(SCc2cc(=O)c3c([O-])n(-c4nc(C)cc(C)n4)nc3[nH]2)cc1 ZINC000018029746 207091997 /nfs/dbraw/zinc/09/19/97/207091997.db2.gz KHQBRUHJURFMPJ-UHFFFAOYSA-N -1 1 393.472 3.015 50 0 GGAAMM Cc1ccc(SCc2cc([O-])c3c(=O)n(-c4nc(C)cc(C)n4)nc-3[nH]2)cc1 ZINC000018029746 207092007 /nfs/dbraw/zinc/09/20/07/207092007.db2.gz KHQBRUHJURFMPJ-UHFFFAOYSA-N -1 1 393.472 3.015 50 0 GGAAMM CCOc1ccc(NC(=O)CSc2nc(N)c(-c3ccccc3)c(=O)[n-]2)cc1 ZINC000018099760 207092941 /nfs/dbraw/zinc/09/29/41/207092941.db2.gz MHYOXBRNAAZZPQ-UHFFFAOYSA-N -1 1 396.472 3.149 50 0 GGAAMM C[C@@]1(O)CC(c2ccccc2)=NN1C(=O)c1cc(Br)ccc1[O-] ZINC000018190401 207094174 /nfs/dbraw/zinc/09/41/74/207094174.db2.gz YKLYLPPMBYOVRA-QGZVFWFLSA-N -1 1 375.222 3.113 50 0 GGAAMM CCN1C(=O)Cc2cc([N-]S(=O)(=O)c3ccc(Br)cc3)ccc21 ZINC000017288983 207087418 /nfs/dbraw/zinc/08/74/18/207087418.db2.gz KLYJXTUTXKQXIE-UHFFFAOYSA-N -1 1 395.278 3.159 50 0 GGAAMM Cc1ccccc1-n1c([O-])c(Cc2c(Cl)cccc2Cl)c(=O)[nH]c1=O ZINC000018220051 207096662 /nfs/dbraw/zinc/09/66/62/207096662.db2.gz BITOFCODWBHKHG-UHFFFAOYSA-N -1 1 377.227 3.437 50 0 GGAAMM C[C@@H](c1ccccc1)N1CNc2c(c(=O)[n-]c(=S)n2Cc2cccnc2)C1 ZINC000020567517 207202733 /nfs/dbraw/zinc/20/27/33/207202733.db2.gz RYBNSURELZWGPM-AWEZNQCLSA-N -1 1 379.489 3.295 50 0 GGAAMM O=C([O-])[C@@H](c1c[nH]c2cccc(Cl)c21)N1CCN(Cc2ccncc2)CC1 ZINC000020718031 207210420 /nfs/dbraw/zinc/21/04/20/207210420.db2.gz MTXQTKFWEUBBJU-LJQANCHMSA-N -1 1 384.867 3.160 50 0 GGAAMM O=C([O-])[C@H](c1c[nH]c2ccc(Cl)cc21)N1CCN(Cc2ccncc2)CC1 ZINC000020731318 207211637 /nfs/dbraw/zinc/21/16/37/207211637.db2.gz DXPZKCFJESOBLX-IBGZPJMESA-N -1 1 384.867 3.160 50 0 GGAAMM Cc1cccc2nc([C@H]3CCCN3C(=O)c3ccccc3NCC(=O)[O-])[nH]c21 ZINC000055414508 207741442 /nfs/dbraw/zinc/74/14/42/207741442.db2.gz SBUUGSMBYCBLBK-QGZVFWFLSA-N -1 1 378.432 3.345 50 0 GGAAMM CC(C)n1[n-]c(=O)c2c1NC(=O)C[C@]21C(=O)Nc2c1cc(Cl)cc2Cl ZINC000071281073 207932959 /nfs/dbraw/zinc/93/29/59/207932959.db2.gz CFUKHZARBQEBDW-MRXNPFEDSA-N -1 1 381.219 3.294 50 0 GGAAMM C[C@@H](Oc1ccc(CN2CCC(C(=O)N3CCCC3)CC2)cc1Cl)C(=O)[O-] ZINC000077520376 208049622 /nfs/dbraw/zinc/04/96/22/208049622.db2.gz CIUOBEKLNLYYFG-CQSZACIVSA-N -1 1 394.899 3.026 50 0 GGAAMM C[C@H](CN1CC2(CCN(C(=O)c3ncccc3[O-])CC2)OC1=O)c1ccccc1 ZINC000072463019 208029063 /nfs/dbraw/zinc/02/90/63/208029063.db2.gz UCFJXLFLYFJOHK-MRXNPFEDSA-N -1 1 395.459 3.018 50 0 GGAAMM CC(=O)c1cccc(CN2CCC(C(=O)[O-])(n3ccc(C(C)(C)C)n3)CC2)c1 ZINC000077297895 208037831 /nfs/dbraw/zinc/03/78/31/208037831.db2.gz FPIYXHDKKMBHJI-UHFFFAOYSA-N -1 1 383.492 3.459 50 0 GGAAMM O=C([O-])C1(Oc2ccc3ccccc3c2)CCN(Cc2ccc(CO)o2)CC1 ZINC000082137532 208082139 /nfs/dbraw/zinc/08/21/39/208082139.db2.gz JKPJBYNDQGCTJG-UHFFFAOYSA-N -1 1 381.428 3.423 50 0 GGAAMM CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(Cc1cc(Cl)ccc1Cl)CC2 ZINC000082138419 208082694 /nfs/dbraw/zinc/08/26/94/208082694.db2.gz ZMCQBCRXUJNUHY-INIZCTEOSA-N -1 1 385.291 3.281 50 0 GGAAMM CCN(Cc1ccccc1C)C(=O)c1cnc(COc2ccc(F)cc2)[n-]c1=O ZINC000091505654 208121942 /nfs/dbraw/zinc/12/19/42/208121942.db2.gz WQQTXNQOARHLRV-UHFFFAOYSA-N -1 1 395.434 3.459 50 0 GGAAMM Cc1ccc(-c2ncc(C(=O)N(C)Cc3nc4cc(C)ccc4[nH]3)c(=O)[n-]2)cc1 ZINC000091548117 208122828 /nfs/dbraw/zinc/12/28/28/208122828.db2.gz UFQSXFBADZMXBU-UHFFFAOYSA-N -1 1 387.443 3.202 50 0 GGAAMM O=C(c1cnc(-c2ccccn2)[n-]c1=O)N1CCCC[C@H]1CCc1ccccn1 ZINC000091616557 208124681 /nfs/dbraw/zinc/12/46/81/208124681.db2.gz HIPKRXOWXNTLDU-KRWDZBQOSA-N -1 1 389.459 3.267 50 0 GGAAMM O=C(NCCCn1ncc2ccccc21)c1cnc(-c2cccs2)[n-]c1=O ZINC000091620633 208125337 /nfs/dbraw/zinc/12/53/37/208125337.db2.gz FZWIKGFFGUQVKL-UHFFFAOYSA-N -1 1 379.445 3.081 50 0 GGAAMM CN(Cc1nc2ccccc2s1)C(=O)c1cnc(-c2ccncc2)[n-]c1=O ZINC000091620826 208125472 /nfs/dbraw/zinc/12/54/72/208125472.db2.gz NAOYWOQSYUCDHM-UHFFFAOYSA-N -1 1 377.429 3.126 50 0 GGAAMM O=C(c1cnc(-c2ccccn2)[n-]c1=O)N1CCCC[C@@H]1CCc1ccccn1 ZINC000091616558 208125610 /nfs/dbraw/zinc/12/56/10/208125610.db2.gz HIPKRXOWXNTLDU-QGZVFWFLSA-N -1 1 389.459 3.267 50 0 GGAAMM CN(Cc1ccc2nsnc2c1)C(=O)c1cnc(-c2cccs2)[n-]c1=O ZINC000091665537 208131580 /nfs/dbraw/zinc/13/15/80/208131580.db2.gz FSUFOHBSPMGLSX-UHFFFAOYSA-N -1 1 383.458 3.188 50 0 GGAAMM CC(C)c1noc([C@@H]2CCCCN2C(=O)c2cnc(-c3ccccc3)[n-]c2=O)n1 ZINC000091663341 208132216 /nfs/dbraw/zinc/13/22/16/208132216.db2.gz OINOGXZQYLPTFJ-INIZCTEOSA-N -1 1 393.447 3.311 50 0 GGAAMM O=C(c1cnc(COc2ccccc2)[n-]c1=O)N1CCC[C@H](c2ccccc2)C1 ZINC000091768718 208135136 /nfs/dbraw/zinc/13/51/36/208135136.db2.gz LXEFQNCBBLXSNR-SFHVURJKSA-N -1 1 389.455 3.369 50 0 GGAAMM O=C(c1c([O-])ccc2ccccc21)N1CC[C@]2(C1)CCCN(CC1CC1)C2=O ZINC000091858222 208140511 /nfs/dbraw/zinc/14/05/11/208140511.db2.gz ILTOPEMVEQUMPB-QHCPKHFHSA-N -1 1 378.472 3.410 50 0 GGAAMM O=C(NCCn1ccc2ccccc21)c1cnc(COc2ccccc2)[n-]c1=O ZINC000091998079 208146995 /nfs/dbraw/zinc/14/69/95/208146995.db2.gz YUSKJVRAWWHJAO-UHFFFAOYSA-N -1 1 388.427 3.146 50 0 GGAAMM CC(C)c1sc(NC(=O)CCC(=O)NC2CCCCCCC2)nc1C(=O)[O-] ZINC000095472967 208189816 /nfs/dbraw/zinc/18/98/16/208189816.db2.gz UNFPETUDMGSPCJ-UHFFFAOYSA-N -1 1 395.525 3.334 50 0 GGAAMM COc1ccccc1OC1(C(=O)[O-])CCN(Cc2c(C)nc3ccccn32)CC1 ZINC000095500358 208201971 /nfs/dbraw/zinc/20/19/71/208201971.db2.gz JZVBGMIFLFJFCM-UHFFFAOYSA-N -1 1 395.459 3.150 50 0 GGAAMM O=C(C[C@H](c1ccccc1)c1cccc(Cl)c1)NCCc1nc([O-])cc(=O)[nH]1 ZINC000095510251 208211899 /nfs/dbraw/zinc/21/18/99/208211899.db2.gz ZRLJZEISPDXDKD-QGZVFWFLSA-N -1 1 397.862 3.010 50 0 GGAAMM O=C1[C@@H]2C(c3ccc(F)cc3)=NOC2=C([O-])N1c1cc(Cl)cc(Cl)c1 ZINC000101155767 208386973 /nfs/dbraw/zinc/38/69/73/208386973.db2.gz YWNXZCYPYAJTCA-HIFRSBDPSA-N -1 1 379.174 3.425 50 0 GGAAMM O=C(Nc1nccs1)c1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000004270370 208542179 /nfs/dbraw/zinc/54/21/79/208542179.db2.gz FVMQEMGPOROUGI-UHFFFAOYSA-N -1 1 377.422 3.335 50 0 GGAAMM COc1ccccc1NC(=O)CSc1nc(C)c(Cc2ccccc2)c(=O)[n-]1 ZINC000011905585 208766372 /nfs/dbraw/zinc/76/63/72/208766372.db2.gz NAYUWQMBIQPWPL-UHFFFAOYSA-N -1 1 395.484 3.409 50 0 GGAAMM Cn1cc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccccc5)oc4c32)cn1 ZINC000096115689 209010345 /nfs/dbraw/zinc/01/03/45/209010345.db2.gz VGGWWVLQZNUTMR-AWEZNQCLSA-N -1 1 388.379 3.340 50 0 biogenic GGAAMM Cn1cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)cn1 ZINC000096115689 209010348 /nfs/dbraw/zinc/01/03/48/209010348.db2.gz VGGWWVLQZNUTMR-AWEZNQCLSA-N -1 1 388.379 3.340 50 0 biogenic GGAAMM COC(=O)C[C@H](c1c(Cc2ccccc2)[n-][nH]c1=O)c1ccc(C(=O)OC)cc1 ZINC000096115919 209010795 /nfs/dbraw/zinc/01/07/95/209010795.db2.gz CBKNGKDSJPZORZ-KRWDZBQOSA-N -1 1 394.427 3.188 50 0 biogenic GGAAMM Cc1n[nH]c(-c2ccc(Cl)cc2)c1CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000253411965 209040134 /nfs/dbraw/zinc/04/01/34/209040134.db2.gz PLDSPANMGJZYSP-SFHVURJKSA-N -1 1 397.862 3.393 50 0 GGAAMM CSc1ncc(C(=O)N2CCC(Oc3cccc(Cl)c3)CC2)c(=O)[n-]1 ZINC000299786783 209089555 /nfs/dbraw/zinc/08/95/55/209089555.db2.gz NOHKHPUIZUDJDS-UHFFFAOYSA-N -1 1 379.869 3.241 50 0 GGAAMM O=C([O-])COc1ccc(-c2ncccn2)cc1CN1CCc2ccccc2C1 ZINC000299781496 209088940 /nfs/dbraw/zinc/08/89/40/209088940.db2.gz DQBNJLOIXUJIDR-UHFFFAOYSA-N -1 1 375.428 3.165 50 0 GGAAMM CCCSc1nc2c(c(=O)[n-]1)[C@H](c1cccs1)C(C(=O)OC)=C(C)N2 ZINC000007990961 221023000 /nfs/dbraw/zinc/02/30/00/221023000.db2.gz YQRIDNVKPGIMLZ-GFCCVEGCSA-N -1 1 377.491 3.338 50 0 GGAAMM COC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccc(C)cc4)c3[n-]2)C1 ZINC000098212140 136188942 /nfs/dbraw/zinc/18/89/42/136188942.db2.gz RCKBATYIYCXITE-AWEZNQCLSA-N -1 1 383.473 3.349 50 0 GGAAMM COC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccc(C)cc4)c3[n-]2)C1 ZINC000098212141 136189009 /nfs/dbraw/zinc/18/90/09/136189009.db2.gz RCKBATYIYCXITE-CQSZACIVSA-N -1 1 383.473 3.349 50 0 GGAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3=O)cc2)cc1OC ZINC000005329758 136194678 /nfs/dbraw/zinc/19/46/78/136194678.db2.gz OOZPHHLFGDMFKR-UHFFFAOYSA-N -1 1 390.461 3.022 50 0 GGAAMM COc1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1N1CCCCC1=O ZINC000005329928 136194711 /nfs/dbraw/zinc/19/47/11/136194711.db2.gz PEHGBPWOQCHMCJ-UHFFFAOYSA-N -1 1 378.425 3.152 50 0 GGAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCCC3=O)c2)cc1OC ZINC000005330023 136194721 /nfs/dbraw/zinc/19/47/21/136194721.db2.gz SLOWAZRWGHDAHE-UHFFFAOYSA-N -1 1 390.461 3.022 50 0 GGAAMM CCC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(OC)c(F)c3)ccc21 ZINC000012180372 136199925 /nfs/dbraw/zinc/19/99/25/136199925.db2.gz CVZQOXTXOTUGTE-UHFFFAOYSA-N -1 1 392.452 3.324 50 0 GGAAMM Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)N1CCCC[C@H]1c1cccnc1 ZINC000263586790 533967015 /nfs/dbraw/zinc/96/70/15/533967015.db2.gz XZAKCEIQQUZOIK-IBGZPJMESA-N -1 1 378.428 3.498 50 0 biogenic GGAAMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@H]3CCCO3)ccc2C)cc1 ZINC000004756959 525296577 /nfs/dbraw/zinc/29/65/77/525296577.db2.gz HVFQWWPAZXYPRB-GOSISDBHSA-N -1 1 388.489 3.013 50 0 GGAAMM COCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc21 ZINC000021756792 536765865 /nfs/dbraw/zinc/76/58/65/536765865.db2.gz HHHGMLLJQHBQHV-UHFFFAOYSA-N -1 1 388.489 3.030 50 0 GGAAMM O=S(=O)([N-]c1ccc(I)cc1)c1ccc(F)c(F)c1 ZINC000007055336 564232173 /nfs/dbraw/zinc/23/21/73/564232173.db2.gz ICFPMTOWIMGTBU-UHFFFAOYSA-N -1 1 395.168 3.370 50 0 GGAAMM O=C1[N-]C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2F)N1 ZINC000001145748 564183135 /nfs/dbraw/zinc/18/31/35/564183135.db2.gz SMPADMVPBACCGV-RIYZIHGNSA-N -1 1 391.196 3.348 50 0 GGAAMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000001150178 564183173 /nfs/dbraw/zinc/18/31/73/564183173.db2.gz QQIGAXUKOZKSBV-UHFFFAOYSA-N -1 1 384.251 3.345 50 0 GGAAMM O=C1[N-]C(=S)NC1=Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000001207029 564184878 /nfs/dbraw/zinc/18/48/78/564184878.db2.gz YXKBNVXAUMGFEZ-NTEUORMPSA-N -1 1 389.274 3.373 50 0 GGAAMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1Cl ZINC000002851267 564191607 /nfs/dbraw/zinc/19/16/07/564191607.db2.gz DWVFWYLXDTXGGW-UHFFFAOYSA-N -1 1 383.853 3.309 50 0 GGAAMM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000003991837 564200217 /nfs/dbraw/zinc/20/02/17/564200217.db2.gz TUXHOPSFUCUVQO-UHFFFAOYSA-N -1 1 383.267 3.233 50 0 GGAAMM O=C(C(=C([O-])c1ccc(Cl)cc1Cl)n1ccccc1=O)N1CCCC1 ZINC000004682121 564204922 /nfs/dbraw/zinc/20/49/22/564204922.db2.gz IPLNWPKUBBFOQO-MRXNPFEDSA-N -1 1 379.243 3.202 50 0 GGAAMM O=C(Nc1ccccc1Br)c1cc2ccc(O)cc2o/c1=N\[O-] ZINC000004662542 564205048 /nfs/dbraw/zinc/20/50/48/564205048.db2.gz LSCWNEKYLCZKCS-MNDPQUGUSA-N -1 1 375.178 3.443 50 0 GGAAMM O=C(C(=C([O-])c1ccc(Cl)cc1Cl)n1ccccc1=O)N1CCCC1 ZINC000004682120 564205130 /nfs/dbraw/zinc/20/51/30/564205130.db2.gz IPLNWPKUBBFOQO-INIZCTEOSA-N -1 1 379.243 3.202 50 0 GGAAMM Cn1c(CNC(=O)CCCOc2ccc(Cl)cc2Cl)n[n-]c1=S ZINC000004739067 564206540 /nfs/dbraw/zinc/20/65/40/564206540.db2.gz BVGVQYAAUDZDCD-UHFFFAOYSA-N -1 1 375.281 3.260 50 0 GGAAMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000005153578 564213510 /nfs/dbraw/zinc/21/35/10/564213510.db2.gz SLQGAIGXEGBGAS-UHFFFAOYSA-N -1 1 376.865 3.285 50 0 GGAAMM COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1N1CCCC1=O ZINC000005329681 564215918 /nfs/dbraw/zinc/21/59/18/564215918.db2.gz BILJHDXZWSNVDU-UHFFFAOYSA-N -1 1 380.853 3.276 50 0 GGAAMM CCOC(=O)C1=C(C)Nc2nc(SC)[n-]c(=O)c2[C@@H]1c1sccc1C ZINC000005799532 564219469 /nfs/dbraw/zinc/21/94/69/564219469.db2.gz SBCOXRJNJIKYMV-LLVKDONJSA-N -1 1 377.491 3.256 50 0 GGAAMM O=S(=O)([N-]c1cccc(Br)c1)c1ccc2c(c1)OCCCO2 ZINC000007052623 564232125 /nfs/dbraw/zinc/23/21/25/564232125.db2.gz UDYGPHICHKVCPL-UHFFFAOYSA-N -1 1 384.251 3.411 50 0 GGAAMM COc1cc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2)ccc1Br ZINC000008132527 564246484 /nfs/dbraw/zinc/24/64/84/564246484.db2.gz FILCYYNKFVVSFX-UHFFFAOYSA-N -1 1 384.251 3.461 50 0 GGAAMM Cc1ccc(S(=O)(=O)Oc2ccccc2C=C2SC(=O)[N-]C2=O)cc1 ZINC000009044645 564251939 /nfs/dbraw/zinc/25/19/39/564251939.db2.gz NSDSFWVHAYGPEB-XNTDXEJSSA-N -1 1 375.427 3.087 50 0 GGAAMM COC(=O)[C@]([N-]c1nc2c(ccc(Cl)c2C)s1)(NC(C)=O)C(F)(F)F ZINC000009358314 564252792 /nfs/dbraw/zinc/25/27/92/564252792.db2.gz QXDLHRGMUSYZFQ-CYBMUJFWSA-N -1 1 395.790 3.238 50 0 GGAAMM O=C(CSc1nccc(=O)[n-]1)Nc1nnc(SCc2ccccc2)s1 ZINC000009194034 564253117 /nfs/dbraw/zinc/25/31/17/564253117.db2.gz LPFPVGRLXXHKCK-UHFFFAOYSA-N -1 1 391.503 3.057 50 0 GGAAMM COC(=O)[C@@]([N-]c1nc2c(ccc(Cl)c2C)s1)(NC(C)=O)C(F)(F)F ZINC000009358312 564253156 /nfs/dbraw/zinc/25/31/56/564253156.db2.gz QXDLHRGMUSYZFQ-ZDUSSCGKSA-N -1 1 395.790 3.238 50 0 GGAAMM O=c1[n-]nc(SCc2ccccc2Cl)n1-c1ccc2c(c1)OCCO2 ZINC000013657737 564277503 /nfs/dbraw/zinc/27/75/03/564277503.db2.gz SULPECJUWUMHBX-UHFFFAOYSA-N -1 1 375.837 3.278 50 0 GGAAMM O=C(Cc1cc(=O)[n-]c(SCc2ccccc2F)n1)Nc1nccs1 ZINC000023138370 564322332 /nfs/dbraw/zinc/32/23/32/564322332.db2.gz PFFMHHHQILRUAT-UHFFFAOYSA-N -1 1 376.438 3.251 50 0 GGAAMM O=c1[n-]c(CNc2ccc(Br)cc2)nn1Cc1ccccc1F ZINC000061718028 564707778 /nfs/dbraw/zinc/70/77/78/564707778.db2.gz VYOYLEGBTXPIHB-UHFFFAOYSA-N -1 1 377.217 3.133 50 0 GGAAMM O=c1[n-]c(CNc2ccc(Br)cc2)nn1Cc1cccc(F)c1 ZINC000061718861 564708494 /nfs/dbraw/zinc/70/84/94/564708494.db2.gz HPCCMMWEARKXCR-UHFFFAOYSA-N -1 1 377.217 3.133 50 0 GGAAMM COc1ccc(OCCS(=O)(=O)[N-]c2ccc3sc(C)nc3c2)cc1 ZINC000070637792 564849113 /nfs/dbraw/zinc/84/91/13/564849113.db2.gz ABCBPPGGQNNAOT-UHFFFAOYSA-N -1 1 378.475 3.434 50 0 GGAAMM O=S(=O)(Cc1ccccc1Cl)[N-]C[C@@](O)(c1ccco1)c1cccs1 ZINC000225589734 565914969 /nfs/dbraw/zinc/91/49/69/565914969.db2.gz DAKSCDXAJCJRAD-QGZVFWFLSA-N -1 1 397.905 3.350 50 0 GGAAMM CCn1nc(C(=O)[O-])c2c1CC[C@@H](N(C)Cc1cc(-c3ccccc3)on1)C2 ZINC000067983564 570255607 /nfs/dbraw/zinc/25/56/07/570255607.db2.gz DVLQEFKXFHVKLJ-MRXNPFEDSA-N -1 1 380.448 3.246 50 0 GGAAMM O=C([O-])[C@@H]1Cc2nc[nH]c2[C@@H](c2ccc(F)cc2)N1C(=S)Nc1ccccc1 ZINC000022628257 570264714 /nfs/dbraw/zinc/26/47/14/570264714.db2.gz DYVXCFIFPGCDFU-FUHWJXTLSA-N -1 1 396.447 3.347 50 0 GGAAMM O=C(NC1CC1)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421120 570267044 /nfs/dbraw/zinc/26/70/44/570267044.db2.gz RMULVHSAJKOFBE-AWEZNQCLSA-N -1 1 394.500 3.147 50 0 GGAAMM CCOC(=O)[C@@]([N-]c1ccccc1OC)(NC(=O)c1ccccc1)C(F)(F)F ZINC000002270725 570280678 /nfs/dbraw/zinc/28/06/78/570280678.db2.gz XNLRSCHQBIZYPS-GOSISDBHSA-N -1 1 396.365 3.359 50 0 GGAAMM COc1ccc(NC(=O)CCc2c(C)c3ccc([O-])cc3oc2=O)cc1OC ZINC000012898956 570287334 /nfs/dbraw/zinc/28/73/34/570287334.db2.gz VNXQMGOCFGNCBH-UHFFFAOYSA-N -1 1 383.400 3.396 50 0 biogenic GGAAMM CC(=O)c1ccc(N2CCN([C@@H](C(=O)[O-])c3c[nH]c4ccccc43)CC2)cc1 ZINC000012321938 570313191 /nfs/dbraw/zinc/31/31/91/570313191.db2.gz AAIZOYBFTWQFQX-OAQYLSRUSA-N -1 1 377.444 3.318 50 0 GGAAMM COCCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000002871886 570313851 /nfs/dbraw/zinc/31/38/51/570313851.db2.gz MTIFBUIWIOCBAV-UHFFFAOYSA-N -1 1 390.505 3.179 50 0 GGAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccncc3)cc2)cc1 ZINC000006269923 570353956 /nfs/dbraw/zinc/35/39/56/570353956.db2.gz RGURSRGJOYASBA-UHFFFAOYSA-N -1 1 381.457 3.121 50 0 GGAAMM COc1ccc([C@@H]2CC(c3c([O-])cc(C)oc3=O)=NCCS2)cc1OC ZINC000137816379 570398232 /nfs/dbraw/zinc/39/82/32/570398232.db2.gz GJKQWXKPVUZFAI-KRWDZBQOSA-N -1 1 375.446 3.338 50 0 GGAAMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3cnc4n3CCC4)c2)cc1 ZINC000090655319 570407016 /nfs/dbraw/zinc/40/70/16/570407016.db2.gz MTZHKTMIURISEE-UHFFFAOYSA-N -1 1 397.456 3.084 50 0 GGAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)sc3c2)cc1NC(C)=O ZINC000005127165 570422000 /nfs/dbraw/zinc/42/20/00/570422000.db2.gz XEVVUWORACPRTD-UHFFFAOYSA-N -1 1 391.474 3.373 50 0 GGAAMM CCc1nnc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(=O)[n-]2)s1 ZINC000004999490 570422978 /nfs/dbraw/zinc/42/29/78/570422978.db2.gz LLLZOZORNMBAJA-JTQLQIEISA-N -1 1 387.490 3.382 50 0 GGAAMM O=C1CCc2cc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)cc3c2N1CC3 ZINC000005153532 570429376 /nfs/dbraw/zinc/42/93/76/570429376.db2.gz MDNLLTPPIRGALB-UHFFFAOYSA-N -1 1 396.390 3.342 50 0 GGAAMM O=C1N[C@H](c2ccccc2Cl)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000005127447 570430182 /nfs/dbraw/zinc/43/01/82/570430182.db2.gz GUQBABMONRSNAU-CKEIUWERSA-N -1 1 398.768 3.444 50 0 GGAAMM Cc1cc(=O)[n-]c(-n2nc(-c3ccco3)cc2NC(=O)CCc2ccccc2)n1 ZINC000012006436 570453893 /nfs/dbraw/zinc/45/38/93/570453893.db2.gz KEUCJJBUOBELCN-UHFFFAOYSA-N -1 1 389.415 3.095 50 0 GGAAMM Cc1cccc(C(=O)Nc2cc(-c3ccco3)nn2-c2nc(C)cc(=O)[n-]2)c1 ZINC000012006217 570453974 /nfs/dbraw/zinc/45/39/74/570453974.db2.gz HCGGHNXNONASAD-UHFFFAOYSA-N -1 1 375.388 3.085 50 0 GGAAMM CCCc1cc(=O)[n-]c(-n2nc(-c3ccco3)cc2NC(=O)c2ccco2)n1 ZINC000012007444 570454006 /nfs/dbraw/zinc/45/40/06/570454006.db2.gz FPIVLXXTHMMTSO-UHFFFAOYSA-N -1 1 379.376 3.013 50 0 GGAAMM Cc1ccccc1C(=O)Nc1cc(-c2ccco2)nn1-c1nc(C)c(C)c(=O)[n-]1 ZINC000012008110 570454394 /nfs/dbraw/zinc/45/43/94/570454394.db2.gz ULPKVYWVQQPOIZ-UHFFFAOYSA-N -1 1 389.415 3.393 50 0 GGAAMM Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)Cc2cccs2)[n-]c(=O)c1C ZINC000012008366 570454437 /nfs/dbraw/zinc/45/44/37/570454437.db2.gz LKVAKWRROMHGRV-UHFFFAOYSA-N -1 1 395.444 3.075 50 0 GGAAMM COc1ccc(-c2nc3c4cnn(-c5ccc(C)c(C)c5)c4ncn3n2)c([O-])c1 ZINC000002331416 570471933 /nfs/dbraw/zinc/47/19/33/570471933.db2.gz PLSHHUQTHQDMRM-UHFFFAOYSA-N -1 1 386.415 3.461 50 0 GGAAMM COc1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1NC(=O)c1cccnc1 ZINC000006316341 570476961 /nfs/dbraw/zinc/47/69/61/570476961.db2.gz NYUYDECURWAJPX-UHFFFAOYSA-N -1 1 397.456 3.452 50 0 GGAAMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(Cc3cc(C)n[nH]c3=O)cc2)c1 ZINC000033026735 570518518 /nfs/dbraw/zinc/51/85/18/570518518.db2.gz JPJLACHSLRTKCJ-UHFFFAOYSA-N -1 1 383.473 3.087 50 0 GGAAMM COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nc2c(c(=O)[n-]1)CCCC2 ZINC000008587356 570534834 /nfs/dbraw/zinc/53/48/34/570534834.db2.gz SRWHJQXVPCQBSQ-JTQLQIEISA-N -1 1 393.896 3.430 50 0 GGAAMM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000006699849 570542407 /nfs/dbraw/zinc/54/24/07/570542407.db2.gz HLZNSQINRIFARY-LEWJYISDSA-N -1 1 380.488 3.375 50 0 GGAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(C)c2)cc1F ZINC000005329288 570554922 /nfs/dbraw/zinc/55/49/22/570554922.db2.gz WTDCWFBCJCIMQF-UHFFFAOYSA-N -1 1 378.425 3.070 50 0 GGAAMM CCOc1ccc2nc(SCC(=O)NCc3ccc(C(=O)[O-])cc3)[nH]c2c1 ZINC000009526042 570559460 /nfs/dbraw/zinc/55/94/60/570559460.db2.gz XODPJOLGRGTFGH-UHFFFAOYSA-N -1 1 385.445 3.068 50 0 GGAAMM Cc1ccc(Nc2nc(-c3cnc(N4CCCC4)nc3C)cc(=O)[n-]2)cc1C ZINC000036235596 570560973 /nfs/dbraw/zinc/56/09/73/570560973.db2.gz YCHYVDHEIMKMJD-UHFFFAOYSA-N -1 1 376.464 3.496 50 0 GGAAMM COc1ccc(NC(=O)[C@H](C)Sc2nc3c(c(=O)[n-]2)CCCC3)cc1Cl ZINC000011903536 570591797 /nfs/dbraw/zinc/59/17/97/570591797.db2.gz MTAJGEHDDGBLJW-JTQLQIEISA-N -1 1 393.896 3.430 50 0 GGAAMM COc1ccc(NC(=O)[C@@H](C)Sc2nc3c(c(=O)[n-]2)CCCC3)cc1Cl ZINC000011903534 570591879 /nfs/dbraw/zinc/59/18/79/570591879.db2.gz MTAJGEHDDGBLJW-SNVBAGLBSA-N -1 1 393.896 3.430 50 0 GGAAMM Cc1nc2nc(N3CCOCC3)[n-]c(=O)c2c(=S)n1-c1ccc(Cl)cc1 ZINC000040386855 570598919 /nfs/dbraw/zinc/59/89/19/570598919.db2.gz OGLCECIYLLDVDI-UHFFFAOYSA-N -1 1 389.868 3.049 50 0 GGAAMM CCOC(=O)C1=C(C)Nc2nc(SC)[n-]c(=O)c2[C@H]1c1ccc(F)cc1 ZINC000005488920 570613837 /nfs/dbraw/zinc/61/38/37/570613837.db2.gz YAKLSFRXJDBHTF-ZDUSSCGKSA-N -1 1 375.425 3.025 50 0 GGAAMM C[C@@H]1C[C@H](C)C[N@@H+]([C@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(Cl)ccc23)C1 ZINC000036366940 570645078 /nfs/dbraw/zinc/64/50/78/570645078.db2.gz PXNCHQQZUARSEF-IUUKEHGRSA-N -1 1 378.856 3.483 50 0 GGAAMM COc1ccc2nc(-c3cccc([N-]S(=O)(=O)c4ccc(F)cc4)c3)cn2n1 ZINC000012441304 570676983 /nfs/dbraw/zinc/67/69/83/570676983.db2.gz AEBYFEHANYVDIC-UHFFFAOYSA-N -1 1 398.419 3.345 50 0 GGAAMM O=C([O-])c1cn(CCc2[nH]nc3c2CCCC3)cc(Oc2ccccc2)c1=O ZINC000055393593 570694178 /nfs/dbraw/zinc/69/41/78/570694178.db2.gz OQKCYXGZBQMADU-UHFFFAOYSA-N -1 1 379.416 3.183 50 0 GGAAMM CCc1cccc(NC(=O)CSC2=Nc3cc(C)ccc3S(=O)(=O)[N-]2)c1 ZINC000006918662 570704041 /nfs/dbraw/zinc/70/40/41/570704041.db2.gz OKFPZKVQJCWZRE-UHFFFAOYSA-N -1 1 389.502 3.400 50 0 GGAAMM COc1ccc(C)cc1[C@H](C(=O)[O-])N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000063871877 570752792 /nfs/dbraw/zinc/75/27/92/570752792.db2.gz LXZQCVQIIHVYGG-HXUWFJFHSA-N -1 1 395.459 3.109 50 0 GGAAMM COc1ccccc1/N=c1\oc2cc([O-])ccc2cc1C(=O)NC[C@H]1CCCO1 ZINC000013426975 570754736 /nfs/dbraw/zinc/75/47/36/570754736.db2.gz ZUQOTSUCEFVBFP-RNKPHZFSSA-N -1 1 394.427 3.288 50 0 GGAAMM Cn1cc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccccc5)coc4c32)cn1 ZINC000524731204 570766125 /nfs/dbraw/zinc/76/61/25/570766125.db2.gz NQZJQTDYCKICOZ-CQSZACIVSA-N -1 1 388.379 3.340 50 0 biogenic GGAAMM Cn1cc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccccc5)coc-4c32)cn1 ZINC000524731204 570766130 /nfs/dbraw/zinc/76/61/30/570766130.db2.gz NQZJQTDYCKICOZ-CQSZACIVSA-N -1 1 388.379 3.340 50 0 biogenic GGAAMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)NCc1cccnc1 ZINC000013677400 570772213 /nfs/dbraw/zinc/77/22/13/570772213.db2.gz SLGHAWVJXIXBRM-UHFFFAOYSA-N -1 1 381.457 3.121 50 0 GGAAMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)NC(C)C)c1 ZINC000013677195 570772245 /nfs/dbraw/zinc/77/22/45/570772245.db2.gz GOGCLHZRCRMAFQ-UHFFFAOYSA-N -1 1 376.478 3.197 50 0 GGAAMM Cc1nc2[n-]cnn2c(=O)c1CCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000013686296 570774171 /nfs/dbraw/zinc/77/41/71/570774171.db2.gz IJXDPCZCHISMKV-UHFFFAOYSA-N -1 1 399.760 3.382 50 0 GGAAMM COc1cccc(-c2c[nH]nc2C2CCN(C(=O)c3ccc([O-])cn3)CC2)c1 ZINC000067433088 570779400 /nfs/dbraw/zinc/77/94/00/570779400.db2.gz YYNSVLDIIJEPBG-UHFFFAOYSA-N -1 1 378.432 3.206 50 0 GGAAMM CC1(C)Cc2c(sc3c2c(=O)n(Cc2ccccc2)c2nnc([S-])n32)CO1 ZINC000013739218 570784599 /nfs/dbraw/zinc/78/45/99/570784599.db2.gz UDDHTPXXXSKPJJ-UHFFFAOYSA-N -1 1 398.513 3.294 50 0 GGAAMM COc1cccc(-c2c[nH]nc2C2CCN(C(=O)c3ncccc3[O-])CC2)c1 ZINC000067834240 570793520 /nfs/dbraw/zinc/79/35/20/570793520.db2.gz WPBRHUKUNZEKED-UHFFFAOYSA-N -1 1 378.432 3.206 50 0 GGAAMM Cc1c2ccc(C)cc2oc1C(=O)N1CCC(c2cc(CC(=O)[O-])[nH]n2)CC1 ZINC000067894939 570796464 /nfs/dbraw/zinc/79/64/64/570796464.db2.gz ARSYSPLUTUPYLF-UHFFFAOYSA-N -1 1 381.432 3.420 50 0 GGAAMM C[C@@H](c1ccc(F)cc1)n1c(Cn2ncc3ccccc3c2=O)n[n-]c1=S ZINC000006007586 570813568 /nfs/dbraw/zinc/81/35/68/570813568.db2.gz XRGHFNQZXUYDDB-LBPRGKRZSA-N -1 1 381.436 3.447 50 0 GGAAMM O=C(C(=C([O-])c1ccc(F)cc1)n1cc(Cl)ccc1=O)N1CCCCC1 ZINC000004679674 570825933 /nfs/dbraw/zinc/82/59/33/570825933.db2.gz MIDRGTSDVGZZFW-KRWDZBQOSA-N -1 1 376.815 3.077 50 0 GGAAMM CC[C@H](C)n1c([O-])c([C@H]2OC(=O)c3c2ccc(OC)c3OC)c(=O)[nH]c1=S ZINC000002126295 570834924 /nfs/dbraw/zinc/83/49/24/570834924.db2.gz OSGJRKXNIUBYKE-SDBXPKJASA-N -1 1 392.433 3.272 50 0 biogenic GGAAMM CCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000007419559 570838891 /nfs/dbraw/zinc/83/88/91/570838891.db2.gz FHUOFLLHYHVNNP-UHFFFAOYSA-N -1 1 392.246 3.386 50 0 GGAAMM CCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)c2cc(Cl)ccc2Cl)n1 ZINC000007419562 570838898 /nfs/dbraw/zinc/83/88/98/570838898.db2.gz NWFNATVJZKXXMA-UHFFFAOYSA-N -1 1 392.246 3.386 50 0 GGAAMM Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)n(-c2nc(C)c(C)c(=O)[n-]2)n1 ZINC000007421031 570839778 /nfs/dbraw/zinc/83/97/78/570839778.db2.gz DTAOFKXLMGJHEY-UHFFFAOYSA-N -1 1 392.246 3.440 50 0 GGAAMM CC(C)[C@@H]1CN(C(=O)Cc2ccc([O-])c(Cl)c2)CCC(=O)N1CC1CC1 ZINC000071589455 570840712 /nfs/dbraw/zinc/84/07/12/570840712.db2.gz FRZZOTXWYAOFTQ-KRWDZBQOSA-N -1 1 378.900 3.084 50 0 GGAAMM Cc1cc(NC(=O)Cc2cccc3ccccc32)n(-c2nc3c(c(=O)[n-]2)CCC3)n1 ZINC000007423012 570840788 /nfs/dbraw/zinc/84/07/88/570840788.db2.gz STMIFHWBHYMFBT-UHFFFAOYSA-N -1 1 399.454 3.087 50 0 GGAAMM Cc1cc(NC(=O)c2cccc3ccccc32)n(-c2nc3c(c(=O)[n-]2)CCC3)n1 ZINC000007422835 570840859 /nfs/dbraw/zinc/84/08/59/570840859.db2.gz SAHVRXBQUHVIPF-UHFFFAOYSA-N -1 1 385.427 3.158 50 0 GGAAMM O=C(CCCCc1ccccc1)N1CCc2c(=O)[n-]c(-c3cccnc3)nc2C1 ZINC000071764510 570850737 /nfs/dbraw/zinc/85/07/37/570850737.db2.gz PXKJHNURPCJFEL-UHFFFAOYSA-N -1 1 388.471 3.130 50 0 GGAAMM O=C(CCCCc1ccccc1)N1CCc2c(=O)[n-]c(-c3ccccn3)nc2C1 ZINC000071764733 570851468 /nfs/dbraw/zinc/85/14/68/570851468.db2.gz LWYPDHQZCONUFF-UHFFFAOYSA-N -1 1 388.471 3.130 50 0 GGAAMM O=C(CCCCc1ccccc1)N1CCc2c(=O)[n-]c(-c3ccncc3)nc2C1 ZINC000072122229 570867220 /nfs/dbraw/zinc/86/72/20/570867220.db2.gz PHYMYVPBHWFNHA-UHFFFAOYSA-N -1 1 388.471 3.130 50 0 GGAAMM COc1cc(C=C2SC(=O)[N-]C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000015056342 570874111 /nfs/dbraw/zinc/87/41/11/570874111.db2.gz BBKNNMKRHDPZGZ-YBEGLDIGSA-N -1 1 384.413 3.037 50 0 GGAAMM Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@H](c1ccc([O-])c(Cl)c1)CC(=O)N2 ZINC000071283014 570889918 /nfs/dbraw/zinc/88/99/18/570889918.db2.gz IWPHESQECAJZJO-RYUDHWBXSA-N -1 1 395.868 3.034 50 0 GGAAMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccccc2)cc1)NCc1cccs1 ZINC000013850347 570902334 /nfs/dbraw/zinc/90/23/34/570902334.db2.gz GUPQABVBIFOLGD-UHFFFAOYSA-N -1 1 386.498 3.408 50 0 GGAAMM COC(=O)c1cccc(-c2ccc(C=C(Sc3nnc(C)[nH]3)C(=O)[O-])o2)c1 ZINC000005721341 570903613 /nfs/dbraw/zinc/90/36/13/570903613.db2.gz CZCHWAHOUOMZAD-OQLLNIDSSA-N -1 1 385.401 3.378 50 0 GGAAMM COC(=O)c1cccc(-c2ccc(C=C(Sc3n[nH]c(C)n3)C(=O)[O-])o2)c1 ZINC000005721341 570903617 /nfs/dbraw/zinc/90/36/17/570903617.db2.gz CZCHWAHOUOMZAD-OQLLNIDSSA-N -1 1 385.401 3.378 50 0 GGAAMM Cc1nn(-c2nc(C)cc(=O)[n-]2)c(C)c1CCC(=O)Nc1ccc(Cl)cc1 ZINC000016849674 570914643 /nfs/dbraw/zinc/91/46/43/570914643.db2.gz ZAIYBBDZRVKZFT-UHFFFAOYSA-N -1 1 385.855 3.106 50 0 GGAAMM Cc1nc(S[C@@H](C)c2ccccc2)[n-]c(=O)c1CC(=O)NCc1ccco1 ZINC000023138687 570916963 /nfs/dbraw/zinc/91/69/63/570916963.db2.gz MWIQRVXBSRCORO-AWEZNQCLSA-N -1 1 383.473 3.384 50 0 GGAAMM CC(C)N(C(=O)c1ccccc1-c1ccc([N-]S(C)(=O)=O)nc1)C(C)C ZINC000534671783 570921212 /nfs/dbraw/zinc/92/12/12/570921212.db2.gz QZQRALSIKKUBSC-UHFFFAOYSA-N -1 1 375.494 3.379 50 0 GGAAMM Cc1nn(-c2nc(C)c(C)c(=O)[n-]2)c(C)c1CCC(=O)Nc1cc(C)cc(C)c1 ZINC000016981185 570922101 /nfs/dbraw/zinc/92/21/01/570922101.db2.gz FJEGIUUNOBKTKL-UHFFFAOYSA-N -1 1 393.491 3.377 50 0 GGAAMM CCOC(=O)c1sc(Nc2nc(-c3ccc(OC)cc3)cc(=O)[n-]2)nc1C ZINC000019819600 570951325 /nfs/dbraw/zinc/95/13/25/570951325.db2.gz DHLVSEILWHQQFT-UHFFFAOYSA-N -1 1 386.433 3.131 50 0 GGAAMM COc1ccc(CCNC(=O)CCc2c(C)c3ccc([O-])cc3oc2=O)cc1 ZINC000004743325 570957324 /nfs/dbraw/zinc/95/73/24/570957324.db2.gz COIJMQUSCWNHPX-UHFFFAOYSA-N -1 1 381.428 3.107 50 0 biogenic GGAAMM CC[C@@H](C)n1c([O-])c([C@@H]2OC(=O)c3c2ccc(OC)c3OC)c(=O)[nH]c1=S ZINC000002126291 570957939 /nfs/dbraw/zinc/95/79/39/570957939.db2.gz OSGJRKXNIUBYKE-AMIZOPFISA-N -1 1 392.433 3.272 50 0 biogenic GGAAMM Cc1nc(-n2nc(C3CC3)cc2NC(=O)c2cc3ccccc3o2)[n-]c(=O)c1C ZINC000012127285 570959484 /nfs/dbraw/zinc/95/94/84/570959484.db2.gz XSJMOEVMYWZIKA-UHFFFAOYSA-N -1 1 389.415 3.448 50 0 GGAAMM CC(C)c1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)c2cc(C3CC3)on2)n1 ZINC000012126686 570959851 /nfs/dbraw/zinc/95/98/51/570959851.db2.gz FATJZHLKWZOFGO-UHFFFAOYSA-N -1 1 394.435 3.074 50 0 GGAAMM CCCn1ccc2cc([N-]S(=O)(=O)c3ccc4c(c3)CC(=O)N4C)ccc21 ZINC000195171303 570962990 /nfs/dbraw/zinc/96/29/90/570962990.db2.gz AEMARCQHOAITGH-UHFFFAOYSA-N -1 1 383.473 3.371 50 0 GGAAMM CCc1nnc2sc(-c3cccc([N-]S(=O)(=O)c4ccccc4)c3)nn12 ZINC000016650915 570994301 /nfs/dbraw/zinc/99/43/01/570994301.db2.gz XJSIMEACPICQFL-UHFFFAOYSA-N -1 1 385.474 3.216 50 0 GGAAMM COc1ccc(-c2coc3cc(OC(=O)N(C)C)cc([O-])c3c2=O)cc1OC ZINC000008879580 1398848108 /nfs/dbraw/zinc/84/81/08/1398848108.db2.gz YSTPEOYYIFNEEH-UHFFFAOYSA-N -1 1 385.372 3.243 50 0 biogenic GGAAMM COc1ccc(-c2coc3cc(OC(=O)N(C)C)cc(=O)c-3c2[O-])cc1OC ZINC000008879580 1398848109 /nfs/dbraw/zinc/84/81/09/1398848109.db2.gz YSTPEOYYIFNEEH-UHFFFAOYSA-N -1 1 385.372 3.243 50 0 biogenic GGAAMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)C2CC2)CC3)ccc1F ZINC000008977400 1398850740 /nfs/dbraw/zinc/85/07/40/1398850740.db2.gz NLJSGMJECRVKOM-UHFFFAOYSA-N -1 1 388.464 3.230 50 0 GGAAMM CC(C)CCCN1C(=O)[N-]C(=O)[C@]2(Cc3c4ccccc4ccc3N(C)C2)C1=O ZINC000009090132 1398853786 /nfs/dbraw/zinc/85/37/86/1398853786.db2.gz GPNBHRXBPPEOTO-HSZRJFAPSA-N -1 1 393.487 3.333 50 0 GGAAMM Cc1cc(=O)[n-]c(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)n1 ZINC000009463881 1398859229 /nfs/dbraw/zinc/85/92/29/1398859229.db2.gz SMPJPLZAMJDQJV-UHFFFAOYSA-N -1 1 381.457 3.388 50 0 GGAAMM COC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000009526101 1398859928 /nfs/dbraw/zinc/85/99/28/1398859928.db2.gz MTYLDEZGUVAIEO-MRXNPFEDSA-N -1 1 390.505 3.177 50 0 GGAAMM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1CCC(CN2CCCC2=O)CC1 ZINC000095354500 1410310129 /nfs/dbraw/zinc/31/01/29/1410310129.db2.gz NBYJKXADTGTXFH-KRWDZBQOSA-N -1 1 385.291 3.454 50 0 GGAAMM O=C(Nc1nn[n-]n1)c1cc(-c2cccc(Br)c2)nc2ccccc21 ZINC000002736330 1424059759 /nfs/dbraw/zinc/05/97/59/1424059759.db2.gz LDUXEQOHYUHAIA-UHFFFAOYSA-N -1 1 395.220 3.430 50 0 GGAAMM O=C(c1ccccc1-c1nnn[n-]1)N1CCC[C@H](CCc2ccccc2F)C1 ZINC000071415741 1424401571 /nfs/dbraw/zinc/40/15/71/1424401571.db2.gz JEIWKDRDJMCFDM-OAHLLOKOSA-N -1 1 379.439 3.491 50 0 GGAAMM O=C(c1ccccc1-c1nnn[n-]1)N1CCCC[C@H]1CCc1cccc(O)c1 ZINC000077554816 1424466588 /nfs/dbraw/zinc/46/65/88/1424466588.db2.gz ZVMWMOXBPXFCRM-INIZCTEOSA-N -1 1 377.448 3.200 50 0 GGAAMM COc1ccc(NC(=O)C[C@H](c2ccccc2)n2cccc2)cc1-c1nnn[n-]1 ZINC000253407221 1424542223 /nfs/dbraw/zinc/54/22/23/1424542223.db2.gz JQVLATWWYCVFKF-GOSISDBHSA-N -1 1 388.431 3.295 50 0 GGAAMM Cc1cc(C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c2ccc(F)cc2n1 ZINC000082156732 1424716091 /nfs/dbraw/zinc/71/60/91/1424716091.db2.gz IMJSBIZCFROCMP-UHFFFAOYSA-N -1 1 376.395 3.135 50 0 GGAAMM Cc1ccc(OC[C@H]2CCCN(C(=O)c3ccccc3-c3nnn[n-]3)C2)cc1 ZINC000072421306 1424727876 /nfs/dbraw/zinc/72/78/76/1424727876.db2.gz YQSPOJCJKRPUGD-INIZCTEOSA-N -1 1 377.448 3.106 50 0 GGAAMM CCc1ccc([C@@H]2c3c(=O)[nH][n-]c3C[C@@](C)(O)[C@H]2C(=O)Nc2ccccc2)cc1 ZINC000253470564 1433867720 /nfs/dbraw/zinc/86/77/20/1433867720.db2.gz GXIAOYOAVLQWLR-KKLQWCBXSA-N -1 1 391.471 3.372 50 0 GGAAMM Nc1cc(=O)[n-]c(SCC(=O)N2c3ccccc3Sc3ccccc32)n1 ZINC000018094211 210212528 /nfs/dbraw/zinc/21/25/28/210212528.db2.gz JHCOBKMPHXGYLX-UHFFFAOYSA-N -1 1 382.470 3.274 50 0 GGAAMM Cc1ccc2nc(Nc3nc(CSc4ncccn4)cc(=O)[n-]3)nc(C)c2c1 ZINC000017879278 210211928 /nfs/dbraw/zinc/21/19/28/210211928.db2.gz FFYGKQWMBGHBFM-UHFFFAOYSA-N -1 1 391.460 3.156 50 0 GGAAMM CC(C)[C@H]1Cc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc([S-])n32)CO1 ZINC000017945427 210211144 /nfs/dbraw/zinc/21/11/44/210211144.db2.gz BIEBGNBKXUFUTG-CYBMUJFWSA-N -1 1 398.513 3.481 50 0 GGAAMM CCCCOc1ccc(C(=O)Nc2cc(C)nn2-c2nc(C)cc(=O)[n-]2)cc1 ZINC000015881319 210177935 /nfs/dbraw/zinc/17/79/35/210177935.db2.gz QLSUQCBVVLNLHA-UHFFFAOYSA-N -1 1 381.436 3.416 50 0 GGAAMM C[C@]1(O)Cc2[n-][nH]c(=O)c2[C@H](c2ccc(Cl)cc2)[C@@H]1C(=O)Nc1ccccc1 ZINC000015081096 210152011 /nfs/dbraw/zinc/15/20/11/210152011.db2.gz YFMAICZYSYQHBQ-CDXJDZJCSA-N -1 1 397.862 3.463 50 0 GGAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccncc3)cc2C)cc1 ZINC000013677382 210077528 /nfs/dbraw/zinc/07/75/28/210077528.db2.gz XHVBFMFNBXCOFS-UHFFFAOYSA-N -1 1 395.484 3.429 50 0 GGAAMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SC)cc1C(=O)NC(C)C ZINC000013679435 210077073 /nfs/dbraw/zinc/07/70/73/210077073.db2.gz HDQJRCVNIOOEGU-UHFFFAOYSA-N -1 1 394.518 3.356 50 0 GGAAMM O=C(COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)NCc1ccco1 ZINC000012895670 210023962 /nfs/dbraw/zinc/02/39/62/210023962.db2.gz AVRIBEBFWWXLIY-UHFFFAOYSA-N -1 1 391.379 3.454 50 0 biogenic GGAAMM O=C(COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)NCc1ccco1 ZINC000012895670 210023969 /nfs/dbraw/zinc/02/39/69/210023969.db2.gz AVRIBEBFWWXLIY-UHFFFAOYSA-N -1 1 391.379 3.454 50 0 biogenic GGAAMM COc1ccc(-c2cc(=O)[n-]c(Nc3nc(C)c4ccccc4n3)n2)cc1OC ZINC000012653489 209990598 /nfs/dbraw/zinc/99/05/98/209990598.db2.gz YBMYTBPHCXPAMB-UHFFFAOYSA-N -1 1 389.415 3.449 50 0 GGAAMM COCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccccc3)cc21 ZINC000002184792 209348579 /nfs/dbraw/zinc/34/85/79/209348579.db2.gz ZLWPZLPINZPDIK-UHFFFAOYSA-N -1 1 389.429 3.345 50 0 GGAAMM COc1ccc(-c2nc3c4cnn(-c5ccc(C)cc5C)c4ncn3n2)c([O-])c1 ZINC000002338730 209356983 /nfs/dbraw/zinc/35/69/83/209356983.db2.gz XCPYSWTWMZTMJE-UHFFFAOYSA-N -1 1 386.415 3.461 50 0 GGAAMM CCOC(=O)[C@]([N-]c1ccccc1OC)(NC(=O)c1ccccc1)C(F)(F)F ZINC000002270726 209353429 /nfs/dbraw/zinc/35/34/29/209353429.db2.gz XNLRSCHQBIZYPS-SFHVURJKSA-N -1 1 396.365 3.359 50 0 GGAAMM CN(c1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1)S(C)(=O)=O ZINC000001111254 209301502 /nfs/dbraw/zinc/30/15/02/209301502.db2.gz FWXBXUAQCXALRO-UHFFFAOYSA-N -1 1 390.486 3.036 50 0 GGAAMM Nc1cc(=O)[n-]c(SCc2ccc(C(=O)Oc3ccc(F)cc3F)cc2)n1 ZINC000001044571 209292617 /nfs/dbraw/zinc/29/26/17/209292617.db2.gz ORNWSGFKDHTBKD-UHFFFAOYSA-N -1 1 389.383 3.142 50 0 GGAAMM COc1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1NC(=O)c1ccncc1 ZINC000000784771 209265191 /nfs/dbraw/zinc/26/51/91/209265191.db2.gz LKSGWDAWMSFSSU-UHFFFAOYSA-N -1 1 397.456 3.452 50 0 GGAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3ccccc3)c2)cc1 ZINC000000754803 209264263 /nfs/dbraw/zinc/26/42/63/209264263.db2.gz HWVAEILHRQKHRU-UHFFFAOYSA-N -1 1 396.468 3.426 50 0 GGAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2ccc(-n3cnnn3)cc2)cc1 ZINC000000643535 209253859 /nfs/dbraw/zinc/25/38/59/209253859.db2.gz DVCPQCGSJXCQIB-UHFFFAOYSA-N -1 1 391.456 3.439 50 0 GGAAMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)OCC(C)(C)C(=O)N2 ZINC000009168945 209250434 /nfs/dbraw/zinc/25/04/34/209250434.db2.gz SJHDMSOEEGILFI-UHFFFAOYSA-N -1 1 378.425 3.292 50 0 GGAAMM CC1(C)COc2cc([N-]S(=O)(=O)c3cccc(Cl)c3)ccc2NC1=O ZINC000009168650 209248085 /nfs/dbraw/zinc/24/80/85/209248085.db2.gz GJGNGYFHEDRFHF-UHFFFAOYSA-N -1 1 380.853 3.498 50 0 GGAAMM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3C)cc1 ZINC000009165447 209248175 /nfs/dbraw/zinc/24/81/75/209248175.db2.gz CDNSIVYJCHUEFF-UHFFFAOYSA-N -1 1 388.489 3.431 50 0 GGAAMM CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2O1 ZINC000001423361 212060685 /nfs/dbraw/zinc/06/06/85/212060685.db2.gz HNMWJGMFFYFYKN-GOSISDBHSA-N -1 1 377.418 3.156 50 0 GGAAMM O=C([N-]c1nnc(CS(=O)(=O)c2ccccc2)o1)c1ccc(Cl)s1 ZINC000010691092 211671967 /nfs/dbraw/zinc/67/19/67/211671967.db2.gz GKLVILQKAASKMN-UHFFFAOYSA-N -1 1 383.838 3.011 50 0 GGAAMM CCCc1cc(=O)[n-]c(SCCCCSc2nc(CCC)cc(=O)[nH]2)n1 ZINC000005884020 211572308 /nfs/dbraw/zinc/57/23/08/211572308.db2.gz JHLGVTKEHNPRIA-UHFFFAOYSA-N -1 1 394.566 3.423 50 0 GGAAMM O=C1[C@@H]2C(c3ccc(F)cc3)=NOC2=C([O-])N1c1cc(Cl)cc(Cl)c1 ZINC000101344555 211398622 /nfs/dbraw/zinc/39/86/22/211398622.db2.gz YWNXZCYPYAJTCA-UKRRQHHQSA-N -1 1 379.174 3.425 50 0 GGAAMM Cc1ccc(N2C(=O)[C@H]3C(c4ccc(Br)cc4)=NOC3=C2[O-])c(C)c1 ZINC000101070750 211395541 /nfs/dbraw/zinc/39/55/41/211395541.db2.gz XLPDYEBAKGBEDZ-DOTOQJQBSA-N -1 1 399.244 3.358 50 0 GGAAMM CN(C(=O)c1cnc(CSc2ccccc2)[n-]c1=O)C1CCSCC1 ZINC000096160671 211313304 /nfs/dbraw/zinc/31/33/04/211313304.db2.gz HCYHZTGSQURFJI-UHFFFAOYSA-N -1 1 375.519 3.442 50 0 GGAAMM COC(=O)C[C@H](c1c(Cc2cc(F)c(F)cc2F)[n-][nH]c1=O)c1cccnc1 ZINC000096231724 211322022 /nfs/dbraw/zinc/32/20/22/211322022.db2.gz IDXVBAJUSJFLEU-LBPRGKRZSA-N -1 1 391.349 3.213 50 0 GGAAMM O=C(C[C@H](c1ccccc1)c1ccc(Cl)cc1)NCCc1nc([O-])cc(=O)[nH]1 ZINC000095524644 211269622 /nfs/dbraw/zinc/26/96/22/211269622.db2.gz AZHRCNDRNDLLBW-QGZVFWFLSA-N -1 1 397.862 3.010 50 0 GGAAMM COC(=O)C[C@H](c1c(C)[n-][nH]c1=O)c1cc2cc(C)ccc2n(CC(C)C)c1=O ZINC000095480973 211249119 /nfs/dbraw/zinc/24/91/19/211249119.db2.gz HCHBKWLZQGKEEQ-INIZCTEOSA-N -1 1 397.475 3.398 50 0 GGAAMM CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)c1cnc(-c2cccnc2)[n-]c1=O ZINC000091964561 211212021 /nfs/dbraw/zinc/21/20/21/211212021.db2.gz RXWNQMPJZXBZHS-UHFFFAOYSA-N -1 1 377.379 3.137 50 0 GGAAMM Cc1ccc(-c2ncc(C(=O)NCCCN(C)c3ccccc3)c(=O)[n-]2)cc1 ZINC000091933619 211210792 /nfs/dbraw/zinc/21/07/92/211210792.db2.gz XUGAPYKMWAOXDR-UHFFFAOYSA-N -1 1 376.460 3.002 50 0 GGAAMM Cc1cc(CNC(=O)c2cnc(-c3ccccn3)[n-]c2=O)c(C(F)(F)F)o1 ZINC000092097195 211217404 /nfs/dbraw/zinc/21/74/04/211217404.db2.gz GRJPBXGCAHQRMO-UHFFFAOYSA-N -1 1 378.310 3.094 50 0 GGAAMM CCN(CCSc1ccccc1)C(=O)c1cnc(-c2cccnc2)[n-]c1=O ZINC000091997340 211213002 /nfs/dbraw/zinc/21/30/02/211213002.db2.gz KBTAMSKCIXGRES-UHFFFAOYSA-N -1 1 380.473 3.499 50 0 GGAAMM O=C(c1cnc(-c2ccccn2)[n-]c1=O)N1CCC2(C=Cc3ccccc32)CC1 ZINC000091616696 211199171 /nfs/dbraw/zinc/19/91/71/211199171.db2.gz BBTMUOPCDDDOQX-UHFFFAOYSA-N -1 1 384.439 3.445 50 0 GGAAMM C[C@H](NC(=O)c1cnc(COc2ccccc2)[n-]c1=O)c1nc2ccccc2[nH]1 ZINC000091390651 211189291 /nfs/dbraw/zinc/18/92/91/211189291.db2.gz DEDNYUQAFPYUAU-ZDUSSCGKSA-N -1 1 389.415 3.129 50 0 GGAAMM CO[C@H]1c2c(cc3occ(-c4ccc(O)cc4)c(=O)c3c2[O-])O[C@@H]1C(C)(C)O ZINC000085996824 211177217 /nfs/dbraw/zinc/17/72/17/211177217.db2.gz RAFBVESTDOVORR-PMACEKPBSA-N -1 1 384.384 3.091 50 0 biogenic GGAAMM CO[C@H]1c2c(cc3occ(-c4ccc(O)cc4)c([O-])c-3c2=O)O[C@@H]1C(C)(C)O ZINC000085996824 211177224 /nfs/dbraw/zinc/17/72/24/211177224.db2.gz RAFBVESTDOVORR-PMACEKPBSA-N -1 1 384.384 3.091 50 0 biogenic GGAAMM COc1cc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C(C)C)c(OC)c2c1OCO2 ZINC000085412219 211175151 /nfs/dbraw/zinc/17/51/51/211175151.db2.gz MNYVXWUGULPNSR-MRXNPFEDSA-N -1 1 391.449 3.389 50 0 GGAAMM CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(Cc1ccc(Cl)c(Cl)c1)CC2 ZINC000082107014 211161320 /nfs/dbraw/zinc/16/13/20/211161320.db2.gz KYGGZQGOWZTOMF-INIZCTEOSA-N -1 1 385.291 3.281 50 0 GGAAMM CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(Cc1ccc(Cl)c(Cl)c1)CC2 ZINC000082107013 211159161 /nfs/dbraw/zinc/15/91/61/211159161.db2.gz KYGGZQGOWZTOMF-MRXNPFEDSA-N -1 1 385.291 3.281 50 0 GGAAMM CC(C)(C)c1cc(C(=O)NCCc2c[nH]c3ccccc23)[n-]c2n[nH]c(=O)c1-2 ZINC000079485065 211158122 /nfs/dbraw/zinc/15/81/22/211158122.db2.gz RXRLWGRPBKJICY-UHFFFAOYSA-N -1 1 377.448 3.415 50 0 GGAAMM O=C([O-])C1(Oc2ccccc2)CCN(Cc2cnc(-c3ccco3)nc2)CC1 ZINC000082170691 211163299 /nfs/dbraw/zinc/16/32/99/211163299.db2.gz MDBYOADSGXZMSI-UHFFFAOYSA-N -1 1 379.416 3.235 50 0 GGAAMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1 ZINC000077505647 211136585 /nfs/dbraw/zinc/13/65/85/211136585.db2.gz XHIBBNITLGPSLB-FQEVSTJZSA-N -1 1 376.884 3.300 50 0 GGAAMM O=C(c1cccc2ccccc21)N1CCc2c(nc(-c3ccncc3)[n-]c2=O)C1 ZINC000077341176 211130577 /nfs/dbraw/zinc/13/05/77/211130577.db2.gz CQLAPYNJJBHQFN-UHFFFAOYSA-N -1 1 382.423 3.184 50 0 GGAAMM O=C([O-])c1ccc(C[C@@H]2CCN(C(=O)c3cc(-c4ccc(O)cc4)[nH]n3)C2)cc1 ZINC000072407848 211114820 /nfs/dbraw/zinc/11/48/20/211114820.db2.gz CMWZEJYNIJPIAU-HNNXBMFYSA-N -1 1 391.427 3.185 50 0 GGAAMM Cc1[n-][nH]c(=O)c1CC(=O)N1CCC[C@@H](C(=O)c2ccc3ccccc3c2)C1 ZINC000072127421 211071124 /nfs/dbraw/zinc/07/11/24/211071124.db2.gz CWEUSDBOTIAWKM-GOSISDBHSA-N -1 1 377.444 3.241 50 0 GGAAMM Cc1ccc2n[nH]c(C(=O)N3CCC[C@](Cc4ccccc4)(C(=O)[O-])C3)c2c1 ZINC000071715015 211052486 /nfs/dbraw/zinc/05/24/86/211052486.db2.gz QJAMRHBASFGQAO-JOCHJYFZSA-N -1 1 377.444 3.421 50 0 GGAAMM O=C(NC[C@@H]1CCCO1)c1cc2ccc([O-])cc2o/c1=N\c1ccc(F)cc1 ZINC000067298607 211008853 /nfs/dbraw/zinc/00/88/53/211008853.db2.gz CLZMJNOBBJHCPU-JOGXUEJDSA-N -1 1 382.391 3.419 50 0 GGAAMM O=C(NC[C@H]1CCCO1)c1cc2ccc([O-])cc2o/c1=N\c1ccccc1F ZINC000067298597 211006516 /nfs/dbraw/zinc/00/65/16/211006516.db2.gz UDPXBANGDXXIMB-MQUBGCMGSA-N -1 1 382.391 3.419 50 0 GGAAMM C[C@H](c1ccccc1)N1CNc2c(c(=O)[n-]c(=S)n2Cc2cccnc2)C1 ZINC000020567516 210348815 /nfs/dbraw/zinc/34/88/15/210348815.db2.gz RYBNSURELZWGPM-CQSZACIVSA-N -1 1 379.489 3.295 50 0 GGAAMM COc1ccc(-n2c(=S)[n-]c(=O)c3c2NCN(Cc2ccccc2)C3)cc1 ZINC000020567696 210348580 /nfs/dbraw/zinc/34/85/80/210348580.db2.gz QDZCTILRXBURBH-UHFFFAOYSA-N -1 1 380.473 3.289 50 0 GGAAMM COc1ccc(Cn2c(=S)[n-]c(=O)c3c2NCN(C2CCCCC2)C3)cc1 ZINC000020547188 210345651 /nfs/dbraw/zinc/34/56/51/210345651.db2.gz XSMPXPRGYJERBX-UHFFFAOYSA-N -1 1 386.521 3.480 50 0 GGAAMM CCOc1ccc(C(=O)C[C@H](C(=O)[O-])c2c(C)[nH]n(-c3ccccc3)c2=O)cc1 ZINC000020247250 210323762 /nfs/dbraw/zinc/32/37/62/210323762.db2.gz GUZIKWYQZFZXLF-ICSRJNTNSA-N -1 1 394.427 3.398 50 0 GGAAMM O=C([O-])[C@H](CC(=O)c1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000020432499 210333117 /nfs/dbraw/zinc/33/31/17/210333117.db2.gz QXCKLNIYCKPZOS-IBGZPJMESA-N -1 1 386.879 3.184 50 0 GGAAMM C[C@@H]1CN(c2ccccc2)CCN1C(=O)c1cnc(-c2cccs2)[n-]c1=O ZINC000092003328 136177456 /nfs/dbraw/zinc/17/74/56/136177456.db2.gz MMSSXDNBTQXIBX-CQSZACIVSA-N -1 1 380.473 3.262 50 0 GGAAMM COCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc21 ZINC000021756743 536765982 /nfs/dbraw/zinc/76/59/82/536765982.db2.gz JJGMKYZEHOLONG-UHFFFAOYSA-N -1 1 394.880 3.066 50 0 GGAAMM CC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Br)c1 ZINC000000797266 564180435 /nfs/dbraw/zinc/18/04/35/564180435.db2.gz VRBXTDYCYOVCGO-UHFFFAOYSA-N -1 1 398.234 3.151 50 0 GGAAMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001165152 564184471 /nfs/dbraw/zinc/18/44/71/564184471.db2.gz SDTYZUUKHZAHOI-UHFFFAOYSA-N -1 1 375.324 3.213 50 0 GGAAMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000001228312 564184601 /nfs/dbraw/zinc/18/46/01/564184601.db2.gz OCBDYHJKMYHJNH-UHFFFAOYSA-N -1 1 384.251 3.427 50 0 GGAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Cl)cc1 ZINC000003295164 564195509 /nfs/dbraw/zinc/19/55/09/564195509.db2.gz XSDITXCWBVNDQG-UHFFFAOYSA-N -1 1 376.825 3.042 50 0 GGAAMM CCOC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000004727640 564206527 /nfs/dbraw/zinc/20/65/27/564206527.db2.gz AQQNUSZVFSZFRV-UHFFFAOYSA-N -1 1 382.869 3.429 50 0 GGAAMM CS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000004817933 564207115 /nfs/dbraw/zinc/20/71/15/564207115.db2.gz LSBLUSLWBMHHRT-UHFFFAOYSA-N -1 1 376.459 3.012 50 0 GGAAMM Cc1cc(=O)[n-]c(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)n1 ZINC000004864382 564208457 /nfs/dbraw/zinc/20/84/57/564208457.db2.gz VIXWHKKEYUGWFI-UHFFFAOYSA-N -1 1 377.775 3.481 50 0 GGAAMM O=C1[C@H]2C(c3ccc(F)cc3)=NOC2=C([O-])N1c1cc(Cl)ccc1Cl ZINC000008378880 564248929 /nfs/dbraw/zinc/24/89/29/564248929.db2.gz KYVLRSKIYDRFFT-ZFWWWQNUSA-N -1 1 379.174 3.425 50 0 GGAAMM COc1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CCCC3)cc1Cl ZINC000008844238 564250421 /nfs/dbraw/zinc/25/04/21/564250421.db2.gz PVUIGZNHCLBNHA-UHFFFAOYSA-N -1 1 379.869 3.042 50 0 GGAAMM Cc1ccc(S(=O)(=O)Oc2ccccc2C=C2SC(=O)[N-]C2=O)cc1 ZINC000013388303 564276500 /nfs/dbraw/zinc/27/65/00/564276500.db2.gz NSDSFWVHAYGPEB-GDNBJRDFSA-N -1 1 375.427 3.087 50 0 GGAAMM Cc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3cccnc3Cl)cs2)no1 ZINC000017070402 564297279 /nfs/dbraw/zinc/29/72/79/564297279.db2.gz UWDWOYGOSAJABU-UHFFFAOYSA-N -1 1 398.853 3.146 50 0 GGAAMM O=c1[n-]c(CNc2ccc(Br)cc2)nn1Cc1ccc(F)cc1 ZINC000061717423 564707842 /nfs/dbraw/zinc/70/78/42/564707842.db2.gz BGFGYYFTRXGAHP-UHFFFAOYSA-N -1 1 377.217 3.133 50 0 GGAAMM O=S(=O)(Cc1cccc(Cl)c1)[N-]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000070762772 564851363 /nfs/dbraw/zinc/85/13/63/564851363.db2.gz PSDJTPFSGFQZPM-OAHLLOKOSA-N -1 1 393.814 3.210 50 0 GGAAMM O=S(=O)([N-]C[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(Cl)s1 ZINC000070762687 564851479 /nfs/dbraw/zinc/85/14/79/564851479.db2.gz RXBABPXTJAXCKQ-LBPRGKRZSA-N -1 1 385.816 3.130 50 0 GGAAMM O=S(=O)([N-]c1ncc(Br)cc1Br)c1ccccc1 ZINC000095836961 564900167 /nfs/dbraw/zinc/90/01/67/564900167.db2.gz XUHDOVKPYDTTHA-UHFFFAOYSA-N -1 1 392.072 3.407 50 0 GGAAMM O=C(c1ccco1)c1ccc(C[N-]S(=O)(=O)c2c(F)cccc2F)s1 ZINC000096119813 564900824 /nfs/dbraw/zinc/90/08/24/564900824.db2.gz UHFZHDCJQLGKJC-UHFFFAOYSA-N -1 1 383.397 3.329 50 0 GGAAMM Cc1cccc(C)c1N1C(=O)[C@H]2C(c3ccc(Br)cc3)=NOC2=C1[O-] ZINC000102868903 564937987 /nfs/dbraw/zinc/93/79/87/564937987.db2.gz XQLMKRDOJVEJJK-WMLDXEAASA-N -1 1 399.244 3.358 50 0 GGAAMM COc1ccc(NC(=O)N(C)Cc2ccc(C)s2)cc1[N-]S(C)(=O)=O ZINC000267191435 565109239 /nfs/dbraw/zinc/10/92/39/565109239.db2.gz RFOGRBZAQLWHLQ-UHFFFAOYSA-N -1 1 383.495 3.101 50 0 GGAAMM O=S(=O)(Cc1ccccc1Cl)[N-]C[C@](O)(c1ccco1)c1cccs1 ZINC000225589713 565915204 /nfs/dbraw/zinc/91/52/04/565915204.db2.gz DAKSCDXAJCJRAD-KRWDZBQOSA-N -1 1 397.905 3.350 50 0 GGAAMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc([S@](=O)C(F)(F)F)cc2)c1 ZINC000685939554 567311628 /nfs/dbraw/zinc/31/16/28/567311628.db2.gz VKHCWGSTSHWJIK-DEOSSOPVSA-N -1 1 391.392 3.317 50 0 GGAAMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc([S@@](=O)C(F)(F)F)cc2)c1 ZINC000685939555 567312243 /nfs/dbraw/zinc/31/22/43/567312243.db2.gz VKHCWGSTSHWJIK-XMMPIXPASA-N -1 1 391.392 3.317 50 0 GGAAMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2cc(Cl)c(OC)cc2OC)n1 ZINC000011905455 570226967 /nfs/dbraw/zinc/22/69/67/570226967.db2.gz BHBIKSUCGMEIAX-UHFFFAOYSA-N -1 1 397.884 3.124 50 0 GGAAMM Cc1cc(=O)[n-]c(SCC(=O)N(Cc2ccccc2)Cc2ccccc2)n1 ZINC000011902867 570227052 /nfs/dbraw/zinc/22/70/52/570227052.db2.gz UKGHBDGPTZOPFN-UHFFFAOYSA-N -1 1 379.485 3.399 50 0 GGAAMM COc1ccc(CNC(=O)CSc2nc(-c3ccccc3)cc(=O)[n-]2)cc1 ZINC000011905626 570227634 /nfs/dbraw/zinc/22/76/34/570227634.db2.gz TUKWECIRMQBEOS-UHFFFAOYSA-N -1 1 381.457 3.266 50 0 GGAAMM O=C([O-])[C@H]1Cc2nc[nH]c2[C@@H](c2ccc(F)cc2)N1C(=S)Nc1ccccc1 ZINC000022628260 570264710 /nfs/dbraw/zinc/26/47/10/570264710.db2.gz DYVXCFIFPGCDFU-SJLPKXTDSA-N -1 1 396.447 3.347 50 0 GGAAMM Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000012902480 570288024 /nfs/dbraw/zinc/28/80/24/570288024.db2.gz XNJXRTIBMNKAFP-UHFFFAOYSA-N -1 1 381.384 3.150 50 0 biogenic GGAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccncc1)C(C(=O)OC)=C(C)N2 ZINC000004292268 570365680 /nfs/dbraw/zinc/36/56/80/570365680.db2.gz ACIWYLBUAQPHHI-CQSZACIVSA-N -1 1 386.477 3.062 50 0 GGAAMM COc1ccccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000004809423 570407067 /nfs/dbraw/zinc/40/70/67/570407067.db2.gz YJKZIXMUNCJUPI-UHFFFAOYSA-N -1 1 396.468 3.426 50 0 GGAAMM O=C1N[C@@H](c2ccccc2Cl)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000005127444 570430176 /nfs/dbraw/zinc/43/01/76/570430176.db2.gz GUQBABMONRSNAU-GRDNDAEWSA-N -1 1 398.768 3.444 50 0 GGAAMM Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)c2ccco2)[n-]c(=O)c1C ZINC000011854986 570438902 /nfs/dbraw/zinc/43/89/02/570438902.db2.gz RQSFKGMZNQSVLN-UHFFFAOYSA-N -1 1 381.417 3.146 50 0 GGAAMM O=C(CSc1nc2c(c(=O)[n-]1)CCC2)Nc1nc(-c2ccccc2)cs1 ZINC000011905459 570445972 /nfs/dbraw/zinc/44/59/72/570445972.db2.gz YKHKKPSLPNZEJH-UHFFFAOYSA-N -1 1 384.486 3.113 50 0 GGAAMM COc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccco3)cc2)c1 ZINC000006267887 570474743 /nfs/dbraw/zinc/47/47/43/570474743.db2.gz RJSXHPRSGHSKFN-UHFFFAOYSA-N -1 1 386.429 3.019 50 0 GGAAMM CN(C)c1ccc(C(=O)Nn2c(=O)c3c([n-]c2=S)sc2c3CCC2)cc1 ZINC000006564859 570479220 /nfs/dbraw/zinc/47/92/20/570479220.db2.gz QWHUBSBCNBZNNB-UHFFFAOYSA-N -1 1 386.502 3.059 50 0 GGAAMM COc1ccc(NC(=O)Cc2c(C)c3c([O-])cc(C)cc3oc2=O)cc1OC ZINC000006660482 570486682 /nfs/dbraw/zinc/48/66/82/570486682.db2.gz OXVAZCVOGUKOPN-UHFFFAOYSA-N -1 1 383.400 3.314 50 0 GGAAMM Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000006760489 570492547 /nfs/dbraw/zinc/49/25/47/570492547.db2.gz ULXISQPCPSNHOY-UHFFFAOYSA-N -1 1 394.402 3.329 50 0 GGAAMM COc1cccc(NCc2nn(Cc3cccc(OC(F)(F)F)c3)c(=O)[n-]2)c1 ZINC000061720248 570502718 /nfs/dbraw/zinc/50/27/18/570502718.db2.gz XSFKPDZDWLYTRJ-UHFFFAOYSA-N -1 1 394.353 3.139 50 0 GGAAMM CCc1cc(=O)[n-]c(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)n1 ZINC000007343773 570502843 /nfs/dbraw/zinc/50/28/43/570502843.db2.gz AOJUILNWVYMGBZ-UHFFFAOYSA-N -1 1 390.465 3.326 50 0 GGAAMM CCOc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c(OCC)cc1C ZINC000032601659 570512150 /nfs/dbraw/zinc/51/21/50/570512150.db2.gz ZCZKPOYQNDHQHO-UHFFFAOYSA-N -1 1 379.434 3.291 50 0 GGAAMM Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000006660765 570524502 /nfs/dbraw/zinc/52/45/02/570524502.db2.gz FFLIMYTZGKPGCQ-UHFFFAOYSA-N -1 1 392.455 3.088 50 0 GGAAMM COc1ccc(-c2cc(=O)[n-]c(Nc3nc(C)c4cc(OC)ccc4n3)n2)cc1 ZINC000009484348 570558992 /nfs/dbraw/zinc/55/89/92/570558992.db2.gz QMJLYYHLYVPKKL-UHFFFAOYSA-N -1 1 389.415 3.449 50 0 GGAAMM Cc1c(CC(=O)NCc2c(F)cccc2Cl)c(=O)oc2cc(O)cc([O-])c12 ZINC000005346659 570561685 /nfs/dbraw/zinc/56/16/85/570561685.db2.gz UQTHFTZZRLOMAB-UHFFFAOYSA-N -1 1 391.782 3.164 50 0 GGAAMM Cc1ccc2c(C)nc(Nc3nc(CSc4ncccn4)cc(=O)[n-]3)nc2c1 ZINC000009939078 570563147 /nfs/dbraw/zinc/56/31/47/570563147.db2.gz JMHTWIIWYRIERV-UHFFFAOYSA-N -1 1 391.460 3.156 50 0 GGAAMM CC(=O)c1cccc(NC(=O)[C@H](Sc2nc(N)cc(=O)[n-]2)c2ccccc2)c1 ZINC000010861769 570573885 /nfs/dbraw/zinc/57/38/85/570573885.db2.gz YTNBVPZIYKHDCP-GOSISDBHSA-N -1 1 394.456 3.027 50 0 GGAAMM O=C([O-])[C@@H](Cc1nc2ccc(F)cc2[nH]1)NC(=O)c1ccc2ccccc2c1 ZINC000038224839 570579220 /nfs/dbraw/zinc/57/92/20/570579220.db2.gz NKMPZFCFXCJBEY-GOSISDBHSA-N -1 1 377.375 3.281 50 0 in-vitro GGAAMM COc1ccc(-c2noc(-c3ccc(S(=O)(=O)[N-]C(C)(C)C)o3)n2)cc1 ZINC000036357399 570637884 /nfs/dbraw/zinc/63/78/84/570637884.db2.gz XSOLHNIJNFDCSQ-UHFFFAOYSA-N -1 1 377.422 3.082 50 0 GGAAMM CCOC(=O)C[C@@H](c1ccc(C(=O)[O-])cc1)c1c(=O)[nH]c2ccccc2c1O ZINC000072325856 570674106 /nfs/dbraw/zinc/67/41/06/570674106.db2.gz AGSUZZNXLPSSNS-HNNXBMFYSA-N -1 1 381.384 3.017 50 0 biogenic GGAAMM Cc1cccc2nc([C@H]3CCCN(C(=O)c4ccccc4NCC(=O)[O-])C3)[nH]c21 ZINC000055393226 570694409 /nfs/dbraw/zinc/69/44/09/570694409.db2.gz JDHXETUHOJCQRX-HNNXBMFYSA-N -1 1 392.459 3.388 50 0 GGAAMM Cc1cccc2nc([C@@H]3CCCN(C(=O)c4ccccc4NCC(=O)[O-])C3)[nH]c21 ZINC000055393225 570694413 /nfs/dbraw/zinc/69/44/13/570694413.db2.gz JDHXETUHOJCQRX-OAHLLOKOSA-N -1 1 392.459 3.388 50 0 GGAAMM CCOC(=O)C1=C(C)Nc2nc(SCC)[n-]c(=O)c2[C@H]1c1ccc(F)cc1 ZINC000006952704 570721803 /nfs/dbraw/zinc/72/18/03/570721803.db2.gz ABEDYWSVCFBFMI-AWEZNQCLSA-N -1 1 389.452 3.416 50 0 GGAAMM COC(=O)c1ccc(NC(=O)CCc2c(C)c3ccc([O-])cc3oc2=O)cc1 ZINC000025107360 570724706 /nfs/dbraw/zinc/72/47/06/570724706.db2.gz VAJRYFBVJRNQPC-UHFFFAOYSA-N -1 1 381.384 3.165 50 0 biogenic GGAAMM Cc1cccc(CN2CCC(Oc3ccc4ncccc4c3)(C(=O)[O-])CC2)n1 ZINC000065383505 570763450 /nfs/dbraw/zinc/76/34/50/570763450.db2.gz KBDHRJNPSJMHRP-UHFFFAOYSA-N -1 1 377.444 3.436 50 0 GGAAMM O=S(=O)([N-]c1ncc(-c2nc[nH]c2-c2ccccc2)cn1)c1ccccc1 ZINC000065420839 570767461 /nfs/dbraw/zinc/76/74/61/570767461.db2.gz YHFHVALPRBIIMM-UHFFFAOYSA-N -1 1 377.429 3.335 50 0 GGAAMM CCCCN(C)C(=O)C(=C([O-])c1ccc(F)cc1)n1cc(Cl)ccc1=O ZINC000004680134 570825841 /nfs/dbraw/zinc/82/58/41/570825841.db2.gz SKVVVHJSFBQGRH-KRWDZBQOSA-N -1 1 378.831 3.323 50 0 GGAAMM CCCCN(C)C(=O)C(=C([O-])c1ccc(F)cc1)n1cc(Cl)ccc1=O ZINC000004680133 570825853 /nfs/dbraw/zinc/82/58/53/570825853.db2.gz SKVVVHJSFBQGRH-QGZVFWFLSA-N -1 1 378.831 3.323 50 0 GGAAMM Cc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)n(-c2nc(C)cc(=O)[n-]2)n1 ZINC000007418958 570839420 /nfs/dbraw/zinc/83/94/20/570839420.db2.gz ONYQPEUREBLGPT-UHFFFAOYSA-N -1 1 385.427 3.492 50 0 GGAAMM COc1cc(C=C2SC(=O)[N-]C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000004690573 570839633 /nfs/dbraw/zinc/83/96/33/570839633.db2.gz BETMCSBNMFDJCV-LICLKQGHSA-N -1 1 398.440 3.345 50 0 GGAAMM O=C(c1ccco1)N1CCc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc21 ZINC000013696596 570900478 /nfs/dbraw/zinc/90/04/78/570900478.db2.gz AQHAEVORBNNUIQ-UHFFFAOYSA-N -1 1 386.404 3.422 50 0 GGAAMM O=C(Cc1ccc([N-]S(=O)(=O)c2cccc3ccccc32)cc1)NC1CC1 ZINC000013849855 570902401 /nfs/dbraw/zinc/90/24/01/570902401.db2.gz VLAVQALQHPBWKV-UHFFFAOYSA-N -1 1 380.469 3.462 50 0 GGAAMM Cc1nn(-c2nc(C)cc(=O)[n-]2)c(C)c1CCC(=O)Nc1cccc(Cl)c1C ZINC000016849693 570914520 /nfs/dbraw/zinc/91/45/20/570914520.db2.gz NBONLQVLANBPRL-UHFFFAOYSA-N -1 1 399.882 3.414 50 0 GGAAMM Cc1csc(NC(=O)Cc2cc(=O)[n-]c(SCc3ccc(F)cc3)n2)n1 ZINC000016851330 570915343 /nfs/dbraw/zinc/91/53/43/570915343.db2.gz CWMGYXUSEXERDD-UHFFFAOYSA-N -1 1 390.465 3.147 50 0 GGAAMM COc1cccc(NC(=O)Cc2cc(=O)[n-]c(SCc3ccc(F)cc3)n2)c1 ZINC000016851348 570915379 /nfs/dbraw/zinc/91/53/79/570915379.db2.gz UTYJLZRNRUEALD-UHFFFAOYSA-N -1 1 399.447 3.391 50 0 GGAAMM Cc1nc(S[C@@H](C)c2ccccc2)[n-]c(=O)c1CC(=O)NCc1cccnc1 ZINC000023138680 570917182 /nfs/dbraw/zinc/91/71/82/570917182.db2.gz LJSKAZAMNNTASR-HNNXBMFYSA-N -1 1 394.500 3.186 50 0 GGAAMM CCOC(=O)C1=C(C)Nc2nc(SC)[n-]c(=O)c2[C@@H]1c1cccc(F)c1 ZINC000004032422 570918438 /nfs/dbraw/zinc/91/84/38/570918438.db2.gz AVDBUQMFNYKBHP-CYBMUJFWSA-N -1 1 375.425 3.025 50 0 GGAAMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCCO2)ccc1C ZINC000001051276 570930911 /nfs/dbraw/zinc/93/09/11/570930911.db2.gz MYKMYYZMMGWEJT-QGZVFWFLSA-N -1 1 388.489 3.013 50 0 GGAAMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCc2ccncc2)ccc1C ZINC000001062049 570930952 /nfs/dbraw/zinc/93/09/52/570930952.db2.gz FPMGPNBIRNTDOD-UHFFFAOYSA-N -1 1 395.484 3.429 50 0 GGAAMM O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2coc3ccc(F)cc3c2=O)N1 ZINC000002126387 570957953 /nfs/dbraw/zinc/95/79/53/570957953.db2.gz OWGOLIXIYLAQGD-APWZRJJASA-N -1 1 378.359 3.102 50 0 biogenic GGAAMM CC(C)c1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)c2ccccc2F)n1 ZINC000012126076 570959827 /nfs/dbraw/zinc/95/98/27/570959827.db2.gz XJZOBRLAFGSJOG-UHFFFAOYSA-N -1 1 381.411 3.348 50 0 GGAAMM CSc1ccccc1C(=O)Nc1cc(C2CC2)nn1-c1nc(C)cc(=O)[n-]1 ZINC000012123799 570959854 /nfs/dbraw/zinc/95/98/54/570959854.db2.gz XSHUBPHDHJBBFL-UHFFFAOYSA-N -1 1 381.461 3.116 50 0 GGAAMM COc1ccc(C(=O)Nc2cc(C3CC3)nn2-c2nc(C(C)C)cc(=O)[n-]2)cc1 ZINC000012126024 570959872 /nfs/dbraw/zinc/95/98/72/570959872.db2.gz MSHFBYZFBHHJJY-UHFFFAOYSA-N -1 1 393.447 3.217 50 0 GGAAMM CC(=O)Nc1ccc(C(=O)CSc2nc(-c3ccccc3)cc(=O)[n-]2)cc1 ZINC000016393790 571047395 /nfs/dbraw/zinc/04/73/95/571047395.db2.gz YCROFLYCQNLCLD-UHFFFAOYSA-N -1 1 379.441 3.370 50 0 GGAAMM O=S(=O)([N-]c1cccc(F)c1)c1cccc(S(=O)(=O)c2ccccc2)c1 ZINC000001177370 1398301790 /nfs/dbraw/zinc/30/17/90/1398301790.db2.gz ADIWDPVVLBVSQC-UHFFFAOYSA-N -1 1 391.445 3.459 50 0 GGAAMM CCCOC(=O)c1ccc(NC(=O)c2c([O-])n3c4c(cccc4c2=O)CC3)cc1 ZINC000002549197 1398312777 /nfs/dbraw/zinc/31/27/77/1398312777.db2.gz SFGPWDGHKTYCKU-UHFFFAOYSA-N -1 1 392.411 3.082 50 0 GGAAMM O=C1N[C@H](c2cccc(Cl)c2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000004269834 1398387299 /nfs/dbraw/zinc/38/72/99/1398387299.db2.gz DXEIDRUWAJRMAR-CKEIUWERSA-N -1 1 398.768 3.444 50 0 GGAAMM CCCCOC(=O)c1ccc(NC(=O)c2c([O-])n(C)c3ccccc3c2=O)cc1 ZINC000005894428 1398490141 /nfs/dbraw/zinc/49/01/41/1398490141.db2.gz UFFVBKUDZXDGLU-UHFFFAOYSA-N -1 1 394.427 3.453 50 0 GGAAMM O=C(Nc1ncccc1O)c1c([O-])n(Cc2ccccc2)c2ccccc2c1=O ZINC000008395831 1398828470 /nfs/dbraw/zinc/82/84/70/1398828470.db2.gz IGKJELTYOHYLAG-UHFFFAOYSA-N -1 1 387.395 3.108 50 0 GGAAMM CC(C)(C)OC(=O)N1CCN([C@H](C(=O)[O-])c2c[nH]c3cc(Cl)ccc32)CC1 ZINC000012390737 1399040755 /nfs/dbraw/zinc/04/07/55/1399040755.db2.gz VJBSWROQVBEYKJ-INIZCTEOSA-N -1 1 393.871 3.500 50 0 GGAAMM Cc1ccc([N-]S(=O)(=O)c2ccc3c4c2cccc4C(=O)NC3=O)cc1C ZINC000094993265 1410309152 /nfs/dbraw/zinc/30/91/52/1410309152.db2.gz YZAQYOUSWAFHQE-UHFFFAOYSA-N -1 1 380.425 3.141 50 0 GGAAMM Cn1cc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccccc5)oc4c32)cn1 ZINC000096115690 1410323731 /nfs/dbraw/zinc/32/37/31/1410323731.db2.gz VGGWWVLQZNUTMR-CQSZACIVSA-N -1 1 388.379 3.340 50 0 biogenic GGAAMM Cn1cc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)cn1 ZINC000096115690 1410323736 /nfs/dbraw/zinc/32/37/36/1410323736.db2.gz VGGWWVLQZNUTMR-CQSZACIVSA-N -1 1 388.379 3.340 50 0 biogenic GGAAMM COC(=O)C[C@@H](c1c(Cc2ccccc2)[n-][nH]c1=O)c1ccc(O)c(OC)c1 ZINC000096116110 1410323976 /nfs/dbraw/zinc/32/39/76/1410323976.db2.gz IUJNELQRKNPPQP-OAHLLOKOSA-N -1 1 382.416 3.115 50 0 biogenic GGAAMM COc1ccc(C[C@@H](C(=O)Nc2ccc(C(C)C)cc2)c2nn[n-]n2)c(OC)c1 ZINC000006359031 1428958850 /nfs/dbraw/zinc/95/88/50/1428958850.db2.gz HYFAFFOKZFZXIK-GOSISDBHSA-N -1 1 395.463 3.305 50 0 GGAAMM Fc1ccccc1COc1ccc(Br)cc1CNc1nn[n-]n1 ZINC000004943034 1423390880 /nfs/dbraw/zinc/39/08/80/1423390880.db2.gz MFQCVJGRDGRUKO-UHFFFAOYSA-N -1 1 378.205 3.292 50 0 GGAAMM COc1ccccc1C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1nn[n-]n1 ZINC000005486153 1426977107 /nfs/dbraw/zinc/97/71/07/1426977107.db2.gz WLQZTVQBKUWRON-CQSZACIVSA-N -1 1 391.353 3.192 50 0 GGAAMM O=C1N[C@H](c2ccccc2Cl)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000226355082 1433368509 /nfs/dbraw/zinc/36/85/09/1433368509.db2.gz GUQBABMONRSNAU-CPUCHLNUSA-N -1 1 398.768 3.444 50 0 GGAAMM CCc1ccc([C@@H]2c3c(=O)[nH][n-]c3C[C@](C)(O)[C@@H]2C(=O)Nc2ccccc2)cc1 ZINC000253470566 1433867646 /nfs/dbraw/zinc/86/76/46/1433867646.db2.gz GXIAOYOAVLQWLR-RFWXGWTQSA-N -1 1 391.471 3.372 50 0 GGAAMM Cc1nc(-c2ncc(C(=O)N3CCC(c4ccncc4)CC3)c(=O)[n-]2)cs1 ZINC000091452104 230963226 /nfs/dbraw/zinc/96/32/26/230963226.db2.gz IXSQBJODEPGWIJ-UHFFFAOYSA-N -1 1 381.461 3.029 50 0 GGAAMM O=C(c1c([O-])ccc2ccccc21)N1CC[C@@]2(C1)CCCN(CC1CC1)C2=O ZINC000091858219 230970027 /nfs/dbraw/zinc/97/00/27/230970027.db2.gz ILTOPEMVEQUMPB-HSZRJFAPSA-N -1 1 378.472 3.410 50 0 GGAAMM Cn1nc(-c2cccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)c2)ccc1=O ZINC000010324850 212245728 /nfs/dbraw/zinc/24/57/28/212245728.db2.gz CXKBSDVXWKWBAV-UHFFFAOYSA-N -1 1 393.827 3.041 50 0 GGAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)c3ccncc3)cc2)cc1OC ZINC000001431664 212245024 /nfs/dbraw/zinc/24/50/24/212245024.db2.gz IVNKFZWKNSQVAZ-UHFFFAOYSA-N -1 1 398.440 3.131 50 0 GGAAMM CCCn1c([O-])c(C(=O)NCc2ccc(OC)c(OC)c2)c(=O)c2ccccc21 ZINC000001248156 212232453 /nfs/dbraw/zinc/23/24/53/212232453.db2.gz LRCVTILNHDSWLF-UHFFFAOYSA-N -1 1 396.443 3.064 50 0 GGAAMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1 ZINC000001166497 212225535 /nfs/dbraw/zinc/22/55/35/212225535.db2.gz ZDPKGYJZHLNFIU-UHFFFAOYSA-N -1 1 388.470 3.288 50 0 GGAAMM COc1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1NC(=O)c1ccncc1 ZINC000000792422 212181211 /nfs/dbraw/zinc/18/12/11/212181211.db2.gz OLSQDJNYLZJXMY-UHFFFAOYSA-N -1 1 397.456 3.452 50 0 GGAAMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)[C@@H](C)c1cccs1 ZINC000058173118 212133463 /nfs/dbraw/zinc/13/34/63/212133463.db2.gz SIWRUUYBTOYSSB-AWEZNQCLSA-N -1 1 382.489 3.354 50 0 GGAAMM CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccc([O-])c1Cl ZINC000025694950 212107405 /nfs/dbraw/zinc/10/74/05/212107405.db2.gz REZGQTNDWGKWBP-UHFFFAOYSA-N -1 1 379.840 3.407 50 0 GGAAMM CC1(C)Cc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc([S-])n32)CO1 ZINC000002259004 220515659 /nfs/dbraw/zinc/51/56/59/220515659.db2.gz HYNDOAABMGLQSN-UHFFFAOYSA-N -1 1 384.486 3.235 50 0 GGAAMM O=C(C(=C([O-])c1cc(Cl)ccc1Cl)n1ccccc1=O)N1CCCC1 ZINC000004682125 220747053 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ZINC000006208311 570471971 /nfs/dbraw/zinc/47/19/71/570471971.db2.gz TZXRLGDVEPLJFX-UHFFFAOYSA-N -1 1 381.457 3.121 50 0 GGAAMM COc1cc2c(cc1NC(=O)CSc1nccc(=O)[n-]1)oc1ccccc12 ZINC000006294813 570476095 /nfs/dbraw/zinc/47/60/95/570476095.db2.gz LFLPQBFIHCXNCM-UHFFFAOYSA-N -1 1 381.413 3.409 50 0 GGAAMM O=C(Nc1ccc2c(c1)OCO2)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000006507467 570482178 /nfs/dbraw/zinc/48/21/78/570482178.db2.gz WPSPZFQOBSITQB-UHFFFAOYSA-N -1 1 396.424 3.468 50 0 GGAAMM Cc1cc(Cc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c(=O)[nH]n1 ZINC000033026632 570518553 /nfs/dbraw/zinc/51/85/53/570518553.db2.gz CLSWGJHOVSQDTR-UHFFFAOYSA-N -1 1 383.473 3.087 50 0 GGAAMM COc1cc(Cl)c(C)cc1NC(=O)CSc1nc2c(c(=O)[n-]1)CCCC2 ZINC000008587331 570534735 /nfs/dbraw/zinc/53/47/35/570534735.db2.gz YPFPYVNMFQPOAH-UHFFFAOYSA-N -1 1 393.896 3.350 50 0 GGAAMM O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000006699846 570542432 /nfs/dbraw/zinc/54/24/32/570542432.db2.gz HLZNSQINRIFARY-RTWAWAEBSA-N 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AUUFHHSIYCGNSQ-INIZCTEOSA-N -1 1 399.394 3.294 50 0 GGAAMM CCCN(Cc1cccc(OC)c1)C(=O)c1cnc(-c2ccccc2)[n-]c1=O ZINC000091713602 571027486 /nfs/dbraw/zinc/02/74/86/571027486.db2.gz FFRYBXFSZHHXAB-UHFFFAOYSA-N -1 1 377.444 3.498 50 0 GGAAMM Cc1ccc(-c2ncc(C(=O)N(C)[C@H](C)Cc3ncccc3C)c(=O)[n-]2)cc1 ZINC000092062068 571043086 /nfs/dbraw/zinc/04/30/86/571043086.db2.gz NQNDPSJXWXPCAM-MRXNPFEDSA-N -1 1 376.460 3.152 50 0 GGAAMM O=C(c1ccc(Cl)cc1[O-])N1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1ccccc1 ZINC000095360077 571054535 /nfs/dbraw/zinc/05/45/35/571054535.db2.gz SOTFQCZYNIZSNR-DOTOQJQBSA-N -1 1 384.863 3.309 50 0 GGAAMM O=C(c1ccc2ccccc2c1[O-])N1C[C@H]2CC[C@@H]1CN(C(=O)C1CCC1)C2 ZINC000095380357 571067295 /nfs/dbraw/zinc/06/72/95/571067295.db2.gz VKFHBMFPPZOQNZ-MAUKXSAKSA-N -1 1 378.472 3.409 50 0 GGAAMM COc1ccc(-c2nc3c4cnn(-c5ccc(Cl)cc5)c4ncn3n2)c([O-])c1 ZINC000002221709 1398304885 /nfs/dbraw/zinc/30/48/85/1398304885.db2.gz CCLKZFJSOASBLM-UHFFFAOYSA-N -1 1 392.806 3.498 50 0 GGAAMM Cc1cc(=O)[n-]c(SCc2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)n1 ZINC000002444098 1398311146 /nfs/dbraw/zinc/31/11/46/1398311146.db2.gz ILQKYAQUTKTCIE-UHFFFAOYSA-N -1 1 376.441 3.478 50 0 GGAAMM COc1ccc(CNC(=O)CCc2c(C)c3ccc([O-])cc3oc2=O)c(OC)c1 ZINC000004087490 1398379368 /nfs/dbraw/zinc/37/93/68/1398379368.db2.gz OMSFTCCHYPAALC-UHFFFAOYSA-N -1 1 397.427 3.073 50 0 biogenic GGAAMM Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)NCCc1c[nH]c2ccccc12 ZINC000004089005 1398380106 /nfs/dbraw/zinc/38/01/06/1398380106.db2.gz ZJYYBOTZKSMTKS-UHFFFAOYSA-N -1 1 376.412 3.190 50 0 biogenic GGAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3nccs3)cc2)cc1 ZINC000005204145 1398420579 /nfs/dbraw/zinc/42/05/79/1398420579.db2.gz ZDHYLBPAGCCYFT-UHFFFAOYSA-N -1 1 389.458 3.205 50 0 GGAAMM CCOC(=O)c1ccc(NC(=O)c2c([O-])n(CC)c3ccccc3c2=O)cc1 ZINC000005909332 1398490964 /nfs/dbraw/zinc/49/09/64/1398490964.db2.gz IKFNWTDHLQZOJD-UHFFFAOYSA-N -1 1 380.400 3.156 50 0 GGAAMM COC(=O)c1[n-]c(=NC(=O)c2[nH]nc3c2CCc2ccccc2-3)sc1C(C)C ZINC000095474537 1410313738 /nfs/dbraw/zinc/31/37/38/1410313738.db2.gz MOYUDAUUQAZSRS-UHFFFAOYSA-N -1 1 396.472 3.216 50 0 GGAAMM O=C(Nc1nn[n-]n1)c1cc(-c2ccccc2)nc2ccc(Br)cc21 ZINC000002772901 1423912847 /nfs/dbraw/zinc/91/28/47/1423912847.db2.gz BPMYHUODOQUDDV-UHFFFAOYSA-N -1 1 395.220 3.430 50 0 GGAAMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)c1ccnc(O[C@H]2CCSC2)c1 ZINC000225721684 1433367891 /nfs/dbraw/zinc/36/78/91/1433367891.db2.gz REMJVALSESGAFK-HNNXBMFYSA-N -1 1 382.445 3.110 50 0 GGAAMM NC(=O)C[C@@H](c1c(Cc2ccccc2)[n-][nH]c1=O)c1cccc(OC(F)F)c1 ZINC000252509730 1433863441 /nfs/dbraw/zinc/86/34/41/1433863441.db2.gz YUHGCSPRRDEKMG-OAHLLOKOSA-N -1 1 387.386 3.315 50 0 GGAAMM NC(=O)C[C@H](c1c(Cc2ccccc2)[n-][nH]c1=O)c1cccc(OC(F)F)c1 ZINC000252509729 1433863450 /nfs/dbraw/zinc/86/34/50/1433863450.db2.gz YUHGCSPRRDEKMG-HNNXBMFYSA-N -1 1 387.386 3.315 50 0 GGAAMM CCc1ccc([C@@H]2c3c(=O)[nH][n-]c3C[C@@](C)(O)[C@@H]2C(=O)Nc2ccccc2)cc1 ZINC000253470565 1433867667 /nfs/dbraw/zinc/86/76/67/1433867667.db2.gz 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