smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(COC(=O)c1ccc([O-])cc1)N1c2ccccc2OC[C@H]1c1ccccc1 ZINC000008447282 856217858 /nfs/dbraw/zinc/21/78/58/856217858.db2.gz QXMOWRKMIGHIQW-FQEVSTJZSA-N -1 3 389.407 3.716 50 0 GHAAHM Cc1c(-c2nsc([N-]C(=O)c3ccco3)n2)nnn1-c1cc(C)ccc1C ZINC000020848781 860655888 /nfs/dbraw/zinc/65/58/88/860655888.db2.gz GVQQOCKJVNMAIQ-UHFFFAOYSA-N -1 3 380.433 3.556 50 0 GHAAHM CC(C)(C)C(=O)N1CCC(c2nnc(C(=O)[N-]c3ccccc3F)s2)CC1 ZINC000033272966 863330814 /nfs/dbraw/zinc/33/08/14/863330814.db2.gz ZATAXBOSUGEDBZ-UHFFFAOYSA-N -1 3 390.484 3.682 50 0 GHAAHM CCN(C(=O)Oc1ccccc1)c1ccc([C@]([O-])(C(=O)OC)C(F)(F)F)cc1 ZINC000004016954 204024347 /nfs/dbraw/zinc/02/43/47/204024347.db2.gz YDSQXYUHHFTNQE-SFHVURJKSA-N -1 3 397.349 3.635 50 0 GHAAHM Cc1c([O-])ccc2c(CSc3nnc4[nH]c5ccccc5n43)cc(=O)oc12 ZINC000004266007 204035694 /nfs/dbraw/zinc/03/56/94/204035694.db2.gz SCVPSIUCFMKJFJ-UHFFFAOYSA-N -1 3 378.413 3.623 50 0 GHAAHM CCN(CC)c1ccc2cc(C(=O)Nc3ccccc3OC)/c(=N/[O-])oc2c1 ZINC000004663328 204061217 /nfs/dbraw/zinc/06/12/17/204061217.db2.gz BOSKSAMXEKMZCQ-LNVKXUELSA-N -1 3 381.432 3.830 50 0 GHAAHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2N1C(=O)C1CCC1 ZINC000006934770 204225195 /nfs/dbraw/zinc/22/51/95/204225195.db2.gz XWOFJTKKSFYOCI-ZDUSSCGKSA-N -1 3 388.464 3.704 50 0 GHAAHM Cc1ccc(NC(=N)Nc2nc(CSc3ccccn3)cc(=O)[n-]2)c(C)c1 ZINC000009010114 204297201 /nfs/dbraw/zinc/29/72/01/204297201.db2.gz WOHIEKGJFNANLM-UHFFFAOYSA-N -1 3 380.477 3.945 50 0 GHAAHM O=C(CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1)N1CCCCC1 ZINC000009189577 204301927 /nfs/dbraw/zinc/30/19/27/204301927.db2.gz YGEHHMULUIVOID-UHFFFAOYSA-N -1 3 394.500 3.745 50 0 GHAAHM C[C@H](Sc1nnnn1C1CC1)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000009593768 204316923 /nfs/dbraw/zinc/31/69/23/204316923.db2.gz JEOVTBMPPNKJTR-JTQLQIEISA-N -1 3 396.501 3.826 50 0 GHAAHM O=S(=O)(Cc1ccccc1Cl)[N-]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000070640122 205023729 /nfs/dbraw/zinc/02/37/29/205023729.db2.gz SKRCFMPRGDXYDU-OAHLLOKOSA-N -1 3 393.814 3.512 50 0 GHAAHM Cc1cc2c(nc(CSCC(=O)Nc3cc(Cl)ccc3[O-])[nH]c2=O)s1 ZINC000044893602 205089671 /nfs/dbraw/zinc/08/96/71/205089671.db2.gz KTTVXBBCCRMVQV-UHFFFAOYSA-N -1 3 395.893 3.524 50 0 GHAAHM Cc1nnc(SCc2noc(-c3ccccc3[O-])n2)n1-c1cccc(C)c1 ZINC000058224743 205170071 /nfs/dbraw/zinc/17/00/71/205170071.db2.gz YZTQXPWKBXEQTB-UHFFFAOYSA-N -1 3 379.445 3.932 50 0 GHAAHM CCCn1nccc1-c1csc(S(=O)(=O)[N-]Cc2ccccc2OC)c1 ZINC000065112581 205210623 /nfs/dbraw/zinc/21/06/23/205210623.db2.gz VFVYQZNODDBORN-UHFFFAOYSA-N -1 3 391.518 3.509 50 0 GHAAHM CCn1nccc1-c1csc(S(=O)(=O)[N-]Cc2ccc(C)c(C)c2)c1 ZINC000065112456 205210936 /nfs/dbraw/zinc/21/09/36/205210936.db2.gz RPAAWWPWVINWJB-UHFFFAOYSA-N -1 3 375.519 3.727 50 0 GHAAHM COc1ccccc1-c1nnc([N-]C(=O)c2ccc(Br)s2)o1 ZINC000004276005 205743189 /nfs/dbraw/zinc/74/31/89/205743189.db2.gz QDPGROUCCXCQIF-UHFFFAOYSA-N -1 3 380.223 3.822 50 0 GHAAHM CO[C@H]1CCN(c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)C1 ZINC000096122372 206119170 /nfs/dbraw/zinc/11/91/70/206119170.db2.gz FACSUWJXVCUUJF-AWEZNQCLSA-N -1 3 384.860 3.505 50 0 GHAAHM CCc1cc2c(CN(CC)C[C@@H]3COc4ccccc4O3)cc(=O)oc2cc1[O-] ZINC000012803237 221233789 /nfs/dbraw/zinc/23/37/89/221233789.db2.gz GYBAOZHXMRDMAG-QGZVFWFLSA-N -1 3 395.455 3.723 50 0 GHAAHM Cc1nc(N2CCCCC2)ncc1-c1cc(=O)[n-]c(Nc2ccccc2Cl)n1 ZINC000039383635 132390934 /nfs/dbraw/zinc/39/09/34/132390934.db2.gz YOMGSHKWCNZZFW-UHFFFAOYSA-N -1 3 396.882 3.923 50 0 GHAAHM CCCN(Cc1ccsc1)C(=O)c1ccc(-c2c(C)[nH]c(=O)[n-]c2=O)cc1 ZINC000426414315 528149599 /nfs/dbraw/zinc/14/95/99/528149599.db2.gz JEUUYGCDVJBAEI-UHFFFAOYSA-N -1 3 383.473 3.977 50 0 GHAAHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc(C(F)(F)F)nc2)[n-]1 ZINC000191962800 529045981 /nfs/dbraw/zinc/04/59/81/529045981.db2.gz CSCVRVIDLFDCTP-UHFFFAOYSA-N -1 3 384.358 3.595 50 0 GHAAHM CCCCc1nc(NC(=O)c2ccc(C(F)(F)F)nc2)c(C(=O)OCC)[n-]1 ZINC000191962800 529045984 /nfs/dbraw/zinc/04/59/84/529045984.db2.gz CSCVRVIDLFDCTP-UHFFFAOYSA-N -1 3 384.358 3.595 50 0 GHAAHM Cc1oc(-c2cccc(C)c2)nc1CSc1nc2c(nc(C)[n-]c2=O)n1C ZINC000019625839 560094105 /nfs/dbraw/zinc/09/41/05/560094105.db2.gz MKJTVDAPYXUJNV-UHFFFAOYSA-N -1 3 381.461 3.529 50 0 biogenic,in-vitro GHAAHM C[C@H]1c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)ccc2N(C)C1=O ZINC000100217950 570269101 /nfs/dbraw/zinc/26/91/01/570269101.db2.gz OVGJLPJFIOTOHD-VIFPVBQESA-N -1 3 385.272 3.874 50 0 GHAAHM CCOC(=O)[C@@]([O-])(c1ccc(NC(=O)Oc2ccccc2)cc1)C(F)(F)F ZINC000002257398 570280411 /nfs/dbraw/zinc/28/04/11/570280411.db2.gz LISVHODEVVUFEA-KRWDZBQOSA-N -1 3 383.322 3.611 50 0 GHAAHM Cc1cc([N-]C(=O)[C@H](C)OC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)on1 ZINC000014566357 570313403 /nfs/dbraw/zinc/31/34/03/570313403.db2.gz SSFCIYYCZRJUGQ-AAEUAGOBSA-N -1 3 381.432 3.773 50 0 GHAAHM CN1CC[C@H]2CCN(Cc3nc(=O)c4cc(-c5ccccc5)sc4[n-]3)[C@H]2C1 ZINC000240757070 570430961 /nfs/dbraw/zinc/43/09/61/570430961.db2.gz HWCUUHJCJHLCJJ-YOEHRIQHSA-N -1 3 380.517 3.590 50 0 GHAAHM CC(C)COc1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1Cl ZINC000030187968 570486751 /nfs/dbraw/zinc/48/67/51/570486751.db2.gz QGZYHMWOIKPEHF-UHFFFAOYSA-N -1 3 396.896 3.999 50 0 GHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCC(C)C)CC3)cc2)cc1 ZINC000033274783 570523108 /nfs/dbraw/zinc/52/31/08/570523108.db2.gz SIZKXRRZJHNIJB-UHFFFAOYSA-N -1 3 386.517 3.600 50 0 GHAAHM Cc1cc(C)c(OCC(=O)N2NC3=C(C[C@@H](C)CC3)[C@@]2([O-])C(F)(F)F)c(C)c1 ZINC000169692589 570621921 /nfs/dbraw/zinc/62/19/21/570621921.db2.gz WSDOIVIDDHNPSL-SGJUXQJHSA-N -1 3 398.425 3.876 50 0 GHAAHM Cn1c(SCC(=O)Nc2ccccc2[O-])nnc1-c1cc2ccccc2o1 ZINC000013550592 570757833 /nfs/dbraw/zinc/75/78/33/570757833.db2.gz BZCODKMQMNRFHQ-UHFFFAOYSA-N -1 3 380.429 3.665 50 0 GHAAHM COc1c[n-]c(C(=O)Nc2nc(-c3c(C)n(C)c4ccccc43)cs2)cc1=O ZINC000524735635 570774497 /nfs/dbraw/zinc/77/44/97/570774497.db2.gz OUHBIXMHJIZMJQ-UHFFFAOYSA-N -1 3 394.456 3.559 50 0 GHAAHM Cc1ccc(NC(=O)NC(=O)CSc2n[n-]c(-c3cccs3)n2)c(C)c1 ZINC000006035324 570815596 /nfs/dbraw/zinc/81/55/96/570815596.db2.gz SCVWTCIXZGQWCG-UHFFFAOYSA-N -1 3 387.490 3.590 50 0 GHAAHM Cc1cccc(C)c1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccncc1 ZINC000102731047 570859564 /nfs/dbraw/zinc/85/95/64/570859564.db2.gz ISIBQCTYOALSME-BAGYTPMASA-N -1 3 399.450 3.750 50 0 GHAAHM COc1ccc(Nc2c(-c3cc(OC)c([O-])c(OC)c3)nc3ncccn32)cc1 ZINC000015414478 570893757 /nfs/dbraw/zinc/89/37/57/570893757.db2.gz HJLHKQTXJUWNMQ-UHFFFAOYSA-N -1 3 392.415 3.871 50 0 GHAAHM Cc1cccc(-c2nc(CC[N-]S(=O)(=O)c3ccccc3F)cs2)c1 ZINC000004570707 570896343 /nfs/dbraw/zinc/89/63/43/570896343.db2.gz BUWKPFIPSCJEKN-UHFFFAOYSA-N -1 3 376.478 3.779 50 0 GHAAHM O=C(c1ccccc1[O-])N1CCC2(CC(=O)N(Cc3ccc(Cl)cc3)C2)CC1 ZINC000095506400 571078830 /nfs/dbraw/zinc/07/88/30/571078830.db2.gz IYPLCDDSEAZVBW-UHFFFAOYSA-N -1 3 398.890 3.701 50 0 GHAAHM Cc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2ccc(C)cc2Cl)n1 ZINC000096379752 860908502 /nfs/dbraw/zinc/90/85/02/860908502.db2.gz SYUVYMMUFDMQOC-UHFFFAOYSA-N -1 3 380.857 3.753 50 0 GHAAHM COc1cccc(C=CC(=O)OCc2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000002640107 900909894 /nfs/dbraw/zinc/90/98/94/900909894.db2.gz QJDSFZNUVVVJJD-MDZDMXLPSA-N -1 3 396.468 3.629 50 0 GHAAHM Cc1nc(C(=O)[N-]c2n[nH]c(C3CCC3)n2)nn1-c1c(Cl)cccc1Cl ZINC000184598796 231028216 /nfs/dbraw/zinc/02/82/16/231028216.db2.gz WBVXMFLLQZBVHS-UHFFFAOYSA-N -1 3 392.250 3.520 50 0 GHAAHM Cc1ccc(NC(=O)[C@@H]([N-]S(=O)(=O)c2cccs2)C(C)C)cc1Cl ZINC000004879970 204085657 /nfs/dbraw/zinc/08/56/57/204085657.db2.gz GAHQBMJTGPSAGB-HNNXBMFYSA-N -1 3 386.926 3.652 50 0 GHAAHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C(=O)C1CC1 ZINC000005099586 204110618 /nfs/dbraw/zinc/11/06/18/204110618.db2.gz XKIPDCKFIMCUCL-UHFFFAOYSA-N -1 3 388.464 3.624 50 0 GHAAHM CC(C)Cn1c(=O)c(C(=O)Nc2nc3ccccc3s2)c([O-])c2c1CCCC2 ZINC000005625077 204142546 /nfs/dbraw/zinc/14/25/46/204142546.db2.gz MLZIAEZAOBRWSA-UHFFFAOYSA-N -1 3 397.500 3.951 50 0 GHAAHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CCCCCC1 ZINC000005703448 204147203 /nfs/dbraw/zinc/14/72/03/204147203.db2.gz SWSSNSNCRHTDTB-UHFFFAOYSA-N -1 3 376.453 3.643 50 0 GHAAHM O=S(=O)([N-]CCCn1cnc2ccccc21)c1cccc(Cl)c1Cl ZINC000007286629 204238337 /nfs/dbraw/zinc/23/83/37/204238337.db2.gz KMHZQKFHJMXELO-UHFFFAOYSA-N -1 3 384.288 3.712 50 0 GHAAHM CCOC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1ccc(F)cc1 ZINC000008604954 204281305 /nfs/dbraw/zinc/28/13/05/204281305.db2.gz OTDVZVMTAXNWIP-UHFFFAOYSA-N -1 3 393.461 3.696 50 0 GHAAHM O=C([N-]c1nnc([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1)c1ccco1 ZINC000008654696 204282441 /nfs/dbraw/zinc/28/24/41/204282441.db2.gz REGKVEWYXIKXLN-JTQLQIEISA-N -1 3 388.836 3.557 50 0 GHAAHM COc1ccccc1-n1ncc2c1nc(SCc1ccccc1F)[n-]c2=O ZINC000009621955 204317823 /nfs/dbraw/zinc/31/78/23/204317823.db2.gz ZDGQNKDZCBUMBN-UHFFFAOYSA-N -1 3 382.420 3.549 50 0 GHAAHM O=C1C[C@H](c2ccccc2C(F)(F)F)c2c(=O)[n-]c(-c3ccccc3)nc2N1 ZINC000009138232 204299914 /nfs/dbraw/zinc/29/99/14/204299914.db2.gz HOCSAKZZSUDYQV-CYBMUJFWSA-N -1 3 385.345 3.930 50 0 GHAAHM CCCSc1nnc([N-]C(=O)c2nnn(-c3ccc(C)cc3C)c2C)s1 ZINC000012274078 204387667 /nfs/dbraw/zinc/38/76/67/204387667.db2.gz HTDTXWFSFIVVPK-UHFFFAOYSA-N -1 3 388.522 3.798 50 0 GHAAHM Cc1ccnc2nc(C(=O)[N-]c3nc(-c4ccc(C(C)C)cc4)cs3)nn21 ZINC000040023428 205047849 /nfs/dbraw/zinc/04/78/49/205047849.db2.gz AYWOVQCPLIWHSL-UHFFFAOYSA-N -1 3 378.461 3.932 50 0 GHAAHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccc(Br)cc1Cl ZINC000053528319 205136279 /nfs/dbraw/zinc/13/62/79/205136279.db2.gz SLGUFVJHXQUHEA-UHFFFAOYSA-N -1 3 378.617 3.535 50 0 GHAAHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccc(Br)cc1Cl ZINC000053528319 205136283 /nfs/dbraw/zinc/13/62/83/205136283.db2.gz SLGUFVJHXQUHEA-UHFFFAOYSA-N -1 3 378.617 3.535 50 0 GHAAHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1ccc(Br)cc1Cl ZINC000053528319 205136287 /nfs/dbraw/zinc/13/62/87/205136287.db2.gz SLGUFVJHXQUHEA-UHFFFAOYSA-N -1 3 378.617 3.535 50 0 GHAAHM CC(=O)c1sc2[n-]c(CN3CC=C(c4ccccc4)CC3)nc(=O)c2c1C ZINC000057281296 205154951 /nfs/dbraw/zinc/15/49/51/205154951.db2.gz ISGNGAZDFZLAEG-UHFFFAOYSA-N -1 3 379.485 3.785 50 0 GHAAHM O=S(=O)([N-]Cc1cccs1)c1cc(-c2noc(C3CCC3)n2)cs1 ZINC000065009772 205206523 /nfs/dbraw/zinc/20/65/23/205206523.db2.gz XPNIMZQVLXGNMO-UHFFFAOYSA-N -1 3 381.504 3.606 50 0 GHAAHM CCN(CCN(C)C)c1ccc(C(=O)[O-])cc1NC(=O)c1cccc(Cl)c1 ZINC000064820745 205196641 /nfs/dbraw/zinc/19/66/41/205196641.db2.gz OWRSNFAIDUKAPO-UHFFFAOYSA-N -1 3 389.883 3.678 50 0 GHAAHM CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)[N-]c1c(C)cc(C)cc1C ZINC000064837204 205197102 /nfs/dbraw/zinc/19/71/02/205197102.db2.gz VWIBGFLLLUEPDJ-UHFFFAOYSA-N -1 3 397.500 3.725 50 0 GHAAHM CCOC(=O)c1c(C)c(S(=O)(=O)[N-]c2ccc(C)cc2Cl)c(C)n1C ZINC000064863230 205198227 /nfs/dbraw/zinc/19/82/27/205198227.db2.gz BZZIJKUZRSDXHQ-UHFFFAOYSA-N -1 3 384.885 3.581 50 0 GHAAHM O=S(=O)([N-]Cc1ccc([C@H](O)c2cccs2)s1)c1ccccc1F ZINC000090613666 205276585 /nfs/dbraw/zinc/27/65/85/205276585.db2.gz VLNQIPJEXVZRGJ-MRXNPFEDSA-N -1 3 383.491 3.509 50 0 GHAAHM Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000072311468 205322658 /nfs/dbraw/zinc/32/26/58/205322658.db2.gz DUXRMGCAIFAQQL-UHFFFAOYSA-N -1 3 397.389 3.636 50 0 GHAAHM Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000072311468 205322661 /nfs/dbraw/zinc/32/26/61/205322661.db2.gz DUXRMGCAIFAQQL-UHFFFAOYSA-N -1 3 397.389 3.636 50 0 GHAAHM Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000072311468 205322665 /nfs/dbraw/zinc/32/26/65/205322665.db2.gz DUXRMGCAIFAQQL-UHFFFAOYSA-N -1 3 397.389 3.636 50 0 GHAAHM CN(C[C@H]1COc2ccccc2O1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000083859362 205390962 /nfs/dbraw/zinc/39/09/62/205390962.db2.gz HTXRHFKAQSRSKK-IBGZPJMESA-N -1 3 389.451 3.895 50 0 GHAAHM CN(Cc1csc(Br)c1)C(=O)c1c[n-]c2ccccc2c1=O ZINC000083862041 205391645 /nfs/dbraw/zinc/39/16/45/205391645.db2.gz HEZGFZFBVMRFHD-UHFFFAOYSA-N -1 3 377.263 3.624 50 0 GHAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](OC)c1ccc(Cl)s1 ZINC000225706478 206068656 /nfs/dbraw/zinc/06/86/56/206068656.db2.gz QEBVVNZUNWIIJZ-NSHDSACASA-N -1 3 396.317 3.730 50 0 GHAAHM [O-][C@]1(C(F)(F)F)C2=C(NN1c1nc3ccccc3s1)c1ccccc1OC2 ZINC000005275050 206215994 /nfs/dbraw/zinc/21/59/94/206215994.db2.gz SJANWJHLGDYGHJ-GTNSWQLSSA-N -1 3 391.374 3.780 50 0 GHAAHM CC(C)N(C[C@H]1CCCN(C(=O)c2ccccc2[O-])C1)C(=O)OC(C)(C)C ZINC000048293137 570229252 /nfs/dbraw/zinc/22/92/52/570229252.db2.gz XBGNAKMVWPSRML-INIZCTEOSA-N -1 3 376.497 3.890 50 0 GHAAHM CCc1ccc(CCC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1 ZINC000012814560 570230391 /nfs/dbraw/zinc/23/03/91/570230391.db2.gz DRXOAONKARPEJY-UHFFFAOYSA-N -1 3 380.488 3.765 50 0 GHAAHM O=S(=O)([N-]Cc1ccc(Cl)cc1)c1ccc(Br)cc1F ZINC000098073060 570263267 /nfs/dbraw/zinc/26/32/67/570263267.db2.gz ITAJJFKCDMJPEJ-UHFFFAOYSA-N -1 3 378.650 3.720 50 0 GHAAHM CCOP(=O)(OCC)C(NC(=O)c1ccco1)=C([O-])c1ccc(C)cc1 ZINC000002107280 570274888 /nfs/dbraw/zinc/27/48/88/570274888.db2.gz DNQJTBJYNNQVJS-SFHVURJKSA-N -1 3 379.349 3.793 50 0 GHAAHM CCc1ccc(-c2csc([N-]C(=O)c3nc4nc(C)cc(C)n4n3)n2)s1 ZINC000025737701 570418902 /nfs/dbraw/zinc/41/89/02/570418902.db2.gz QFLYVKFWGQVLBB-UHFFFAOYSA-N -1 3 384.490 3.741 50 0 GHAAHM COc1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1N1CCCC1=O ZINC000005329637 570554900 /nfs/dbraw/zinc/55/49/00/570554900.db2.gz RMDYNLZLEREINI-UHFFFAOYSA-N -1 3 388.489 3.548 50 0 GHAAHM Cc1cc(Br)c([O-])c(C(=O)OCc2cc(F)cc3c2OCOC3)c1 ZINC000062386828 570621092 /nfs/dbraw/zinc/62/10/92/570621092.db2.gz CSGLPAKAPNAFSU-UHFFFAOYSA-N -1 3 397.196 3.826 50 0 GHAAHM Cc1oc(-c2ccc(Cl)cc2)nc1CSc1nc2c(nc[n-]c2=O)n1C ZINC000012372642 570648374 /nfs/dbraw/zinc/64/83/74/570648374.db2.gz VSHXMIBZVBYIMS-UHFFFAOYSA-N -1 3 387.852 3.566 50 0 biogenic,in-vitro GHAAHM CCOC(=O)c1sc2[n-]c(CN(C)Cc3ccc(C)cc3C)nc(=O)c2c1C ZINC000017290231 570702441 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CC(C)C[C@@H](NC(=O)c1cccc(-c2ccc(F)cc2[O-])c1)c1ncnn1C ZINC000299767452 206186881 /nfs/dbraw/zinc/18/68/81/206186881.db2.gz HFYXXVDBQFNZOF-GOSISDBHSA-N -1 3 382.439 3.844 50 0 GHAAHM C[C@H]1CC(=O)Nc2cc(S(=O)(=O)[N-]c3cc(F)ccc3F)ccc2S1 ZINC000015730276 570222366 /nfs/dbraw/zinc/22/23/66/570222366.db2.gz TVPOWKDQAGIJRA-VIFPVBQESA-N -1 3 384.429 3.588 50 0 GHAAHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Nc1ccc(Cl)cc1 ZINC000001127561 570244520 /nfs/dbraw/zinc/24/45/20/570244520.db2.gz WQIHTOVJHXSINO-UHFFFAOYSA-N -1 3 393.679 3.564 50 0 GHAAHM O=C(CCc1ccccc1)Nc1ccc(Oc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000002850521 570308791 /nfs/dbraw/zinc/30/87/91/570308791.db2.gz XUIXBOUTYCSIDN-UHFFFAOYSA-N -1 3 386.407 3.934 50 0 GHAAHM CCc1cc2c(CN3CCN(c4ccc(F)cc4)CC3)cc(=O)oc2cc1[O-] ZINC000054147534 570450495 /nfs/dbraw/zinc/45/04/95/570450495.db2.gz VJXNEMLVHOVAOW-UHFFFAOYSA-N -1 3 382.435 3.522 50 0 GHAAHM CC(C)(C)c1ccc(CCC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000030661931 570493434 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Cc1ccc(N2C[C@@H](c3nnc([N-]C(=O)c4cccs4)s3)CC2=O)cc1 ZINC000013944262 570807556 /nfs/dbraw/zinc/80/75/56/570807556.db2.gz KDBFDGMMZMWGPR-LBPRGKRZSA-N -1 3 384.486 3.681 50 0 GHAAHM Cn1c2ccccc2c2c(c1=O)[C@@H](c1ccc(Cl)cc1)c1c(=O)[n-][nH]c1N2 ZINC000018197695 570809504 /nfs/dbraw/zinc/80/95/04/570809504.db2.gz OEZGHMIJAUDSMQ-CQSZACIVSA-N -1 3 378.819 3.858 50 0 GHAAHM Cn1c2ccccc2c2c(c1=O)[C@@H](c1ccc(Cl)cc1)c1c(=O)[nH][n-]c1N2 ZINC000018197695 570809505 /nfs/dbraw/zinc/80/95/05/570809505.db2.gz OEZGHMIJAUDSMQ-CQSZACIVSA-N -1 3 378.819 3.858 50 0 GHAAHM CCS(=O)(=O)[N-]c1ccc(-c2noc(-c3ccc(Br)o3)n2)cc1 ZINC000033122765 570815100 /nfs/dbraw/zinc/81/51/00/570815100.db2.gz XVIOTTSMPIKXJX-UHFFFAOYSA-N -1 3 398.238 3.521 50 0 GHAAHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)-c1oncc1CO2 ZINC000033171185 570835785 /nfs/dbraw/zinc/83/57/85/570835785.db2.gz YUCVAVHUWMYYTE-UHFFFAOYSA-N -1 3 376.821 3.997 50 0 GHAAHM COc1cc([C@@H]2CC(=O)Nc3nc(C)[n-]c(=O)c32)ccc1OCc1ccccc1 ZINC000017043378 570938063 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GHAAHM [O-]c1ccc2c(c1)Oc1ncn3nc(-c4ccccn4)nc3c1[C@@H]2c1ccco1 ZINC000005350970 204127962 /nfs/dbraw/zinc/12/79/62/204127962.db2.gz KAFPXAGJKSAZSD-KRWDZBQOSA-N -1 3 383.367 3.771 50 0 GHAAHM COc1cccc(OC)c1C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000005355965 204128087 /nfs/dbraw/zinc/12/80/87/204128087.db2.gz KDCIPFCQMVQBPT-JTQLQIEISA-N -1 3 388.445 3.537 50 0 GHAAHM O=C(CCCOc1ccc(Cl)cc1Cl)N1NC=C[C@]1([O-])C(F)(F)F ZINC000005447071 204132803 /nfs/dbraw/zinc/13/28/03/204132803.db2.gz CWSLLAKHWDPTDZ-ZDUSSCGKSA-N -1 3 385.169 3.621 50 0 GHAAHM COCCC1=C[C@@]([O-])(C(F)(F)F)N(c2ncc(C(F)(F)F)cc2Cl)N1 ZINC000005447515 204133364 /nfs/dbraw/zinc/13/33/64/204133364.db2.gz ZMGUMCCJIQIXQJ-LLVKDONJSA-N -1 3 391.699 3.607 50 0 GHAAHM CCNc1c2ccccc2oc(=O)c1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000006784714 204204100 /nfs/dbraw/zinc/20/41/00/204204100.db2.gz RQRPRWUIJYZDQG-UHFFFAOYSA-N -1 3 396.827 3.818 50 0 GHAAHM O=C(Cc1c(Cl)cccc1Cl)N1NC(C2CC2)=C[C@@]1([O-])C(F)(F)F ZINC000006862821 204216513 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CC[C@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1cc(Cl)c(Br)[n-]1 ZINC000032936296 204932114 /nfs/dbraw/zinc/93/21/14/204932114.db2.gz PCWMRZIYDSQIKD-ZJUUUORDSA-N -1 3 391.693 3.767 50 0 GHAAHM Cc1ccsc1[C@H](O)C[N-]S(=O)(=O)c1cc(C)c(Cl)cc1Cl ZINC000070635773 205023396 /nfs/dbraw/zinc/02/33/96/205023396.db2.gz AQLJYAQIEIWSPA-GFCCVEGCSA-N -1 3 380.318 3.684 50 0 GHAAHM O=S(=O)([N-]Cc1ccc(Cn2ccnc2)cc1)c1cc(Cl)ccc1Cl ZINC000054534045 205139376 /nfs/dbraw/zinc/13/93/76/205139376.db2.gz BGDWSGVJNGAGNI-UHFFFAOYSA-N -1 3 396.299 3.717 50 0 GHAAHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(Oc3c(C)cccc3C)CC2)c1 ZINC000055287136 205147224 /nfs/dbraw/zinc/14/72/24/205147224.db2.gz UVLDTQUXBFOXOS-UHFFFAOYSA-N -1 3 382.460 3.651 50 0 GHAAHM CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1nc(-c2ccccc2)c[nH]1 ZINC000058218816 205170167 /nfs/dbraw/zinc/17/01/67/205170167.db2.gz PGTZERQTJDSIGQ-HNNXBMFYSA-N -1 3 377.416 3.785 50 0 GHAAHM COc1ccc(-c2nc(-n3cccc3)sc2C(=O)[N-]c2nncs2)cc1 ZINC000061719889 205182489 /nfs/dbraw/zinc/18/24/89/205182489.db2.gz YGOCAWGDNYBHBA-UHFFFAOYSA-N -1 3 383.458 3.713 50 0 GHAAHM Cc1c2cc(C)ccc2oc1-c1noc(C[N-]S(=O)(=O)c2ccccc2)n1 ZINC000065097186 205210466 /nfs/dbraw/zinc/21/04/66/205210466.db2.gz IOTBWSQQOOSWJQ-UHFFFAOYSA-N -1 3 383.429 3.578 50 0 GHAAHM CC(C)CC[N-]S(=O)(=O)c1cc(-c2nc(-c3cccc(F)c3)no2)cs1 ZINC000065098086 205210666 /nfs/dbraw/zinc/21/06/66/205210666.db2.gz RPAMTKPYTIUGMH-UHFFFAOYSA-N -1 3 395.481 3.929 50 0 GHAAHM Cc1ccc(-n2cc(-c3noc(C(=O)[N-]c4cccc(Cl)c4)n3)nn2)cc1 ZINC000065236670 205220686 /nfs/dbraw/zinc/22/06/86/205220686.db2.gz DOACIUUQBXCOLT-UHFFFAOYSA-N -1 3 380.795 3.531 50 0 GHAAHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3cnc4n3CCC4)c2)cc1C ZINC000090607225 205274353 /nfs/dbraw/zinc/27/43/53/205274353.db2.gz RSOURZUNFWVZBG-UHFFFAOYSA-N -1 3 383.473 3.614 50 0 GHAAHM Cc1nn(C)cc1[C@H]1SCC(=O)Nc2c1c(=O)[n-]n2C1CCCCCC1 ZINC000079485240 205384102 /nfs/dbraw/zinc/38/41/02/205384102.db2.gz DCJFBYASZCNDHK-MRXNPFEDSA-N -1 3 375.498 3.950 50 0 GHAAHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 ZINC000000983200 570232970 /nfs/dbraw/zinc/23/29/70/570232970.db2.gz ONJSYNYCTDPSMU-UHFFFAOYSA-N -1 3 390.288 3.532 50 0 GHAAHM C[C@H]1CCCCN1C(=O)CSc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000021158465 570288679 /nfs/dbraw/zinc/28/86/79/570288679.db2.gz RZIRSSQUYFOTDS-LBPRGKRZSA-N -1 3 380.901 3.530 50 0 GHAAHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(I)cc1 ZINC000002848350 570307976 /nfs/dbraw/zinc/30/79/76/570307976.db2.gz UQNSDOTVLOFGRY-UHFFFAOYSA-N -1 3 391.205 3.540 50 0 GHAAHM CCOC(=O)[C@]([N-]c1ccc(Cl)cc1)(NC(=O)c1ccco1)C(F)(F)F ZINC000003103588 570328605 /nfs/dbraw/zinc/32/86/05/570328605.db2.gz CQONHQTXAFRPPM-HNNXBMFYSA-N -1 3 390.745 3.597 50 0 GHAAHM Fc1ccccc1CN1CCN(Cn2nc(-c3cccs3)[n-]c2=S)CC1 ZINC000023254227 570352891 /nfs/dbraw/zinc/35/28/91/570352891.db2.gz CICZQCJRZUJQCF-UHFFFAOYSA-N -1 3 389.525 3.584 50 0 GHAAHM Cc1nc(-c2cccc(CN3CCN(c4ccccc4)C[C@H]3C)c2)[n-]c(=O)c1F ZINC000023339968 570355256 /nfs/dbraw/zinc/35/52/56/570355256.db2.gz GKFITKITVXOBBI-MRXNPFEDSA-N -1 3 392.478 3.595 50 0 GHAAHM COc1ccc(F)cc1S(=O)(=O)[N-][C@H](C)Cc1csc2ccccc12 ZINC000575621768 570370366 /nfs/dbraw/zinc/37/03/66/570370366.db2.gz UDKWSVLSUIVXLA-GFCCVEGCSA-N -1 3 379.478 3.959 50 0 GHAAHM C[C@H]1CCN(C(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)C[C@H](C)C1 ZINC000119312984 570622085 /nfs/dbraw/zinc/62/20/85/570622085.db2.gz OFCPTFYNRHHAGJ-UONOGXRCSA-N -1 3 387.505 3.538 50 0 GHAAHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1ccc(Cl)cc1 ZINC000012415323 570669502 /nfs/dbraw/zinc/66/95/02/570669502.db2.gz ZIMWZJNNWIIESH-UHFFFAOYSA-N -1 3 395.889 3.820 50 0 GHAAHM O=S(=O)([N-]c1ccc(N2CCCCCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000012631508 570693426 /nfs/dbraw/zinc/69/34/26/570693426.db2.gz XWTBDQZSIPRDRB-UHFFFAOYSA-N -1 3 388.489 3.639 50 0 GHAAHM COc1cc(-c2cc(=O)c3ccccc3o2)cc(I)c1[O-] ZINC000001106321 570753468 /nfs/dbraw/zinc/75/34/68/570753468.db2.gz YRQOODLFSKHIBD-UHFFFAOYSA-N -1 3 394.164 3.779 50 0 biogenic GHAAHM COc1cc(C(C)=O)ccc1OCC(=O)[N-]c1cc(-c2ccc(C)cc2)no1 ZINC000032721417 570762046 /nfs/dbraw/zinc/76/20/46/570762046.db2.gz WAALWYIHNDSWHV-UHFFFAOYSA-N -1 3 380.400 3.879 50 0 GHAAHM O=C1[C@@H]2C(c3ccccc3Cl)=NOC2=C([O-])N1c1cc(Cl)cc(Cl)c1 ZINC000101210690 570817797 /nfs/dbraw/zinc/81/77/97/570817797.db2.gz ILDFWEXBSJJRQS-HIFRSBDPSA-N -1 3 395.629 3.939 50 0 GHAAHM CCc1ccc(NCc2cc(=O)n3nc(NCc4ccc(C)cc4)[n-]c3n2)cc1 ZINC000101796022 570833940 /nfs/dbraw/zinc/83/39/40/570833940.db2.gz HZHITAPSGHTEST-UHFFFAOYSA-N -1 3 388.475 3.513 50 0 GHAAHM Cc1nn(-c2ccccc2)c2ncc(C(=O)NCc3ccccc3Cl)c([O-])c12 ZINC000007424105 570841321 /nfs/dbraw/zinc/84/13/21/570841321.db2.gz ZEYGSUPLJSPHSI-UHFFFAOYSA-N -1 3 392.846 3.606 50 0 GHAAHM Cc1nc2cc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)ccc2n1-c1ccccc1 ZINC000012604363 570888241 /nfs/dbraw/zinc/88/82/41/570888241.db2.gz ZIIFCFAJQRETHV-UHFFFAOYSA-N -1 3 395.426 3.766 50 0 GHAAHM Cc1nc2cc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)ccc2n1-c1ccccc1 ZINC000012604363 570888243 /nfs/dbraw/zinc/88/82/43/570888243.db2.gz ZIIFCFAJQRETHV-UHFFFAOYSA-N -1 3 395.426 3.766 50 0 GHAAHM O=C1C[C@H](c2ccc(C(F)(F)F)cc2)c2c(=O)[n-]c(N3CCCCC3)nc2N1 ZINC000585655768 857173936 /nfs/dbraw/zinc/17/39/36/857173936.db2.gz FZAJVMLLMMOKBI-CYBMUJFWSA-N -1 3 392.381 3.665 50 0 GHAAHM O=C1C[C@H](c2ccccc2C(F)(F)F)c2c(=O)[n-]c(N3CCCCC3)nc2N1 ZINC000585655796 857175346 /nfs/dbraw/zinc/17/53/46/857175346.db2.gz OCVGESDUOLWYPN-GFCCVEGCSA-N -1 3 392.381 3.665 50 0 GHAAHM CCc1ccccc1NC(=O)c1cnc2c(c(C)nn2-c2ccc(F)cc2)c1[O-] ZINC000004316382 862956127 /nfs/dbraw/zinc/95/61/27/862956127.db2.gz JSIDRSFIDUSQJW-UHFFFAOYSA-N -1 3 390.418 3.976 50 0 GHAAHM COc1cc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C(C)C)ccc1OC(C)C ZINC000095473076 860598522 /nfs/dbraw/zinc/59/85/22/860598522.db2.gz MIGBLYYEESSBMA-QGZVFWFLSA-N -1 3 391.493 3.977 50 0 GHAAHM COc1ccc(CN(C)Cc2ccccc2O[C@@H](C)C(=O)[O-])c2cccnc12 ZINC000824645552 864099849 /nfs/dbraw/zinc/09/98/49/864099849.db2.gz UDRLROGDIBQHGN-HNNXBMFYSA-N -1 3 380.444 3.727 50 0 GHAAHM CCN(CC)C(=O)c1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1Cl ZINC000032584776 887429752 /nfs/dbraw/zinc/42/97/52/887429752.db2.gz BCSNUOUUKKHZIA-SFQUDFHCSA-N -1 3 397.862 3.545 50 0 GHAAHM COCCn1c(-c2ccc([O-])c(C(N)=O)c2)csc1=Nc1cc(C)ccc1C ZINC000263629852 888739491 /nfs/dbraw/zinc/73/94/91/888739491.db2.gz QGFSUXKZXZMTFO-UHFFFAOYSA-N -1 3 397.500 3.517 50 0 GHAAHM CCC[C@H](C)n1[n-]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc2c(c1)OCO2 ZINC000005643182 204144068 /nfs/dbraw/zinc/14/40/68/204144068.db2.gz WKUGGNRMOALCIG-MGPLVRAMSA-N -1 3 375.450 3.690 50 0 GHAAHM CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)[N-]c1ccc(C)cc1Cl ZINC000007002746 204228722 /nfs/dbraw/zinc/22/87/22/204228722.db2.gz ORZLMMXEOBAJJS-UHFFFAOYSA-N -1 3 384.885 3.581 50 0 GHAAHM O=S(=O)([N-]CCCn1cnc2ccccc21)c1cc(Cl)ccc1Cl ZINC000007286628 204238848 /nfs/dbraw/zinc/23/88/48/204238848.db2.gz PRRGUGSKEYCEAL-UHFFFAOYSA-N -1 3 384.288 3.712 50 0 GHAAHM O=C([O-])[C@H]1CCC(=O)N(C2CCN(Cc3ccccc3)CC2)[C@H]1c1ccccc1 ZINC000008729923 204287410 /nfs/dbraw/zinc/28/74/10/204287410.db2.gz VCJFXNVVJSJGQM-GMAHTHKFSA-N -1 3 392.499 3.716 50 0 GHAAHM COC(=O)c1sc([N-]C(=O)c2cc(-c3ccc(Cl)cc3)on2)nc1C ZINC000011915749 204360963 /nfs/dbraw/zinc/36/09/63/204360963.db2.gz XKEKQZLAFFAOME-UHFFFAOYSA-N -1 3 377.809 3.799 50 0 GHAAHM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)c1ccncc1 ZINC000012550924 204421982 /nfs/dbraw/zinc/42/19/82/204421982.db2.gz XTNKSWSSENVKJV-CQSZACIVSA-N -1 3 399.447 3.513 50 0 GHAAHM O=S(=O)([N-]Cc1ccc(Cn2ccnc2)cc1)c1cccc(Cl)c1Cl ZINC000054534154 205140168 /nfs/dbraw/zinc/14/01/68/205140168.db2.gz JITYJDWLALRZHB-UHFFFAOYSA-N -1 3 396.299 3.717 50 0 GHAAHM CCOC(=O)c1sc2[n-]c([C@@H](C)N(C)Cc3ccc(C)cc3)nc(=O)c2c1C ZINC000057406509 205156844 /nfs/dbraw/zinc/15/68/44/205156844.db2.gz IHNUCJRHBUJGEU-CQSZACIVSA-N -1 3 399.516 3.971 50 0 GHAAHM CCN(CCN(C)C)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc(Cl)cc1 ZINC000064820349 205197113 /nfs/dbraw/zinc/19/71/13/205197113.db2.gz BUJSVDQIJXXFJL-UHFFFAOYSA-N -1 3 389.883 3.678 50 0 GHAAHM c1nc(-c2ccccc2)c(-c2ccc3ccccc3n2)n1CCCc1nnn[n-]1 ZINC000065371298 205232821 /nfs/dbraw/zinc/23/28/21/205232821.db2.gz VLCKVLSRBSJTKO-UHFFFAOYSA-N -1 3 381.443 3.911 50 0 GHAAHM c1nc(-c2ccccc2)c(-c2ccc3ccccc3n2)n1CCCc1nn[n-]n1 ZINC000065371298 205232824 /nfs/dbraw/zinc/23/28/24/205232824.db2.gz VLCKVLSRBSJTKO-UHFFFAOYSA-N -1 3 381.443 3.911 50 0 GHAAHM C[C@@H]1c2cc(S(=O)(=O)[N-]c3ccccc3Cl)cc3c2N(CCC3)C1=O ZINC000005153991 205762760 /nfs/dbraw/zinc/76/27/60/205762760.db2.gz DBSBOKCQMBKXTI-LLVKDONJSA-N -1 3 376.865 3.537 50 0 GHAAHM Cc1ccc(OCC(=O)N2NC3=C(C[C@@H](C)CC3)[C@]2([O-])C(F)(F)F)cc1C ZINC000020034268 205915755 /nfs/dbraw/zinc/91/57/55/205915755.db2.gz RVELVPCPWJMFKN-POHZPAGDSA-N -1 3 384.398 3.568 50 0 GHAAHM CC(C)(C)C(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@H]1c1ccccc1 ZINC000225517145 206053332 /nfs/dbraw/zinc/05/33/32/206053332.db2.gz LDGMQWXCMYRHIY-IBGZPJMESA-N -1 3 399.516 3.782 50 0 GHAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2C)[C@@H]3c2ccco2)cc1 ZINC000229968981 206110922 /nfs/dbraw/zinc/11/09/22/206110922.db2.gz GNDIHGXIRKDVMJ-PWRODBHTSA-N -1 3 388.423 3.948 50 0 GHAAHM O=c1cc([C@H]2C[C@@H](Nc3ncc(Cl)cc3Cl)C2)nc(N2CCCC2)[n-]1 ZINC000253534982 206149203 /nfs/dbraw/zinc/14/92/03/206149203.db2.gz AFZSUINOWYSBLI-KLPPZKSPSA-N -1 3 380.279 3.842 50 0 GHAAHM Cc1nc([C@H]2CCCN(C(=O)C(=Cc3ccco3)c3ccccc3)C2)cc(=O)[n-]1 ZINC000082039536 206210959 /nfs/dbraw/zinc/21/09/59/206210959.db2.gz CFESQHVHITXFDK-ACRNLXFHSA-N -1 3 389.455 3.618 50 0 GHAAHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C1CCCCC1 ZINC000024751461 521777065 /nfs/dbraw/zinc/77/70/65/521777065.db2.gz KGNCMHUSGZCFLH-UHFFFAOYSA-N -1 3 382.707 3.722 50 0 GHAAHM O=S(=O)(NN=c1cc(C(F)(F)F)cc(Cl)[n-]1)c1ccccc1Cl ZINC000096190130 570218597 /nfs/dbraw/zinc/21/85/97/570218597.db2.gz BMGGZEGMTNIJIS-UHFFFAOYSA-N -1 3 386.182 3.713 50 0 GHAAHM O=S(=O)([N-]Nc1cc(C(F)(F)F)cc(Cl)n1)c1ccccc1Cl ZINC000096190130 570218602 /nfs/dbraw/zinc/21/86/02/570218602.db2.gz BMGGZEGMTNIJIS-UHFFFAOYSA-N -1 3 386.182 3.713 50 0 GHAAHM CN(Cc1ccncc1)Cc1ccc(-c2nc(-c3cccnc3)cc(=O)[n-]2)cc1 ZINC000048175488 570220316 /nfs/dbraw/zinc/22/03/16/570220316.db2.gz LPRFUMWGFJAKEW-UHFFFAOYSA-N -1 3 383.455 3.526 50 0 GHAAHM COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(C)cc1[O-] ZINC000000724665 570220841 /nfs/dbraw/zinc/22/08/41/570220841.db2.gz FFIGAULTYSJQAI-UHFFFAOYSA-N -1 3 395.278 3.599 50 0 GHAAHM [O-]c1cc(O)ccc1-c1n[nH]c(C(F)(F)F)c1-c1ccc2c(c1)OCCO2 ZINC000000971252 570232610 /nfs/dbraw/zinc/23/26/10/570232610.db2.gz GEKLIBMHCDGCKJ-UHFFFAOYSA-N -1 3 378.306 3.945 50 0 GHAAHM C[C@@H]1c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)ccc2N(C)C1=O ZINC000001038249 570237199 /nfs/dbraw/zinc/23/71/99/570237199.db2.gz OVGJLPJFIOTOHD-SECBINFHSA-N -1 3 385.272 3.874 50 0 GHAAHM O=S(=O)([N-]Cc1ccccc1)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000001047113 570238367 /nfs/dbraw/zinc/23/83/67/570238367.db2.gz DLVCVTRFUZGZDF-UHFFFAOYSA-N -1 3 388.392 3.900 50 0 GHAAHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)c1 ZINC000001060796 570239451 /nfs/dbraw/zinc/23/94/51/570239451.db2.gz FEZCGKVCMFJJLO-UHFFFAOYSA-N -1 3 390.244 3.589 50 0 GHAAHM CCOC(=O)c1c([N-]C(=O)c2nc(SC)ncc2Cl)sc2c1CCC2 ZINC000001070226 570240333 /nfs/dbraw/zinc/24/03/33/570240333.db2.gz HLJCUGLUTAQBEO-UHFFFAOYSA-N -1 3 397.909 3.831 50 0 GHAAHM Cc1ccc2[nH]c(=NC(=S)[N-]C(=O)Cc3ccc(Cl)cc3)sc2c1 ZINC000001413787 570262533 /nfs/dbraw/zinc/26/25/33/570262533.db2.gz GNIPGPYHMGKBAD-UHFFFAOYSA-N -1 3 375.906 3.736 50 0 GHAAHM O=C([O-])[C@H](c1c[nH]c2ccc(OCc3ccccc3)cc21)N1CCSCC1 ZINC000020744704 570278743 /nfs/dbraw/zinc/27/87/43/570278743.db2.gz APZQEAIFVRLAEH-FQEVSTJZSA-N -1 3 382.485 3.921 50 0 GHAAHM CN(Cc1ccc(Cl)s1)C(=O)CSc1n[n-]c(-c2cccs2)n1 ZINC000014182914 570295031 /nfs/dbraw/zinc/29/50/31/570295031.db2.gz OFUNKSHRBOFDRW-UHFFFAOYSA-N -1 3 384.939 3.999 50 0 GHAAHM O=C(NC1CCCC1)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000023175235 570347713 /nfs/dbraw/zinc/34/77/13/570347713.db2.gz ROYJPOYXKBZUKR-UHFFFAOYSA-N -1 3 396.871 3.952 50 0 GHAAHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccco3)c2)cc1 ZINC000012544878 570846185 /nfs/dbraw/zinc/84/61/85/570846185.db2.gz ONCBWXNHNCJKCV-UHFFFAOYSA-N -1 3 386.429 3.731 50 0 GHAAHM CCOC(=O)Nc1sc([N-]C(=O)c2csnn2)nc1-c1ccc(C)cc1 ZINC000170623705 570881658 /nfs/dbraw/zinc/88/16/58/570881658.db2.gz XAUVSJPUTUCUBL-UHFFFAOYSA-N -1 3 389.462 3.791 50 0 GHAAHM CCOC(=O)C(=O)[N-]c1sc2c(c1C(=O)OCC)CC[C@@H](C(C)(C)C)C2 ZINC000022333434 570886275 /nfs/dbraw/zinc/88/62/75/570886275.db2.gz LOIGCICPUUDSBT-LLVKDONJSA-N -1 3 381.494 3.577 50 0 GHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cccnc3)c2)cc1 ZINC000015436305 570893603 /nfs/dbraw/zinc/89/36/03/570893603.db2.gz LHUJKSXJDASSFW-UHFFFAOYSA-N -1 3 381.457 3.752 50 0 GHAAHM O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc(OC(F)(F)F)cc2)N1 ZINC000002151509 570972971 /nfs/dbraw/zinc/97/29/71/570972971.db2.gz BSLISAZEHOCJOB-HZPDHXFCSA-N -1 3 376.334 3.755 50 0 biogenic GHAAHM O=S(=O)(Cc1cc(F)ccc1F)[N-]C[C@@H](c1ccco1)c1cccs1 ZINC000585147740 570978356 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CN(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1cccs1 ZINC000038629183 856218746 /nfs/dbraw/zinc/21/87/46/856218746.db2.gz QYARIOIYWQZOBC-GFCCVEGCSA-N -1 3 379.334 3.636 50 0 GHAAHM Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2cc(F)ccc2Cl)o1 ZINC000096379590 860906679 /nfs/dbraw/zinc/90/66/79/860906679.db2.gz LSPZWUVXEUOPDX-UHFFFAOYSA-N -1 3 384.820 3.583 50 0 GHAAHM CCOc1cc(C(=O)Nc2ncccc2[O-])ccc1OCCOc1ccccc1 ZINC000021901611 860978520 /nfs/dbraw/zinc/97/85/20/860978520.db2.gz SFLMJRRRHUMIFN-UHFFFAOYSA-N -1 3 394.427 3.896 50 0 GHAAHM Cc1nc(COc2ccc(/C=C3/C(=O)[N-]C(=O)c4ccccc43)cc2)cs1 ZINC000089712484 891192534 /nfs/dbraw/zinc/19/25/34/891192534.db2.gz RTJBFLCVLKYAAF-VXLYETTFSA-N -1 3 376.437 3.841 50 0 GHAAHM O=S(=O)([N-][C@H](c1ccc(O)cc1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000001062614 203878786 /nfs/dbraw/zinc/87/87/86/203878786.db2.gz XVPBDMPXEQIRAU-CYBMUJFWSA-N -1 3 380.680 3.782 50 0 GHAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)C2c3ccccc3Oc3ccccc32)N1 ZINC000004178771 204031110 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3.690 50 0 GHAAHM Cc1ccccc1OCCSc1nc(-c2cccs2)nc2cc(=O)[n-]n21 ZINC000006915868 204224038 /nfs/dbraw/zinc/22/40/38/204224038.db2.gz HODCMNSNCUNFIC-UHFFFAOYSA-N -1 3 384.486 3.626 50 0 GHAAHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccccc1Cl ZINC000007375262 204240388 /nfs/dbraw/zinc/24/03/88/204240388.db2.gz MPTXJROYNNWIAU-UHFFFAOYSA-N -1 3 390.686 3.590 50 0 GHAAHM CCc1cc2c(CSc3nncn3-c3ccccc3)cc(=O)oc2cc1[O-] ZINC000007677870 204246803 /nfs/dbraw/zinc/24/68/03/204246803.db2.gz WICRYVYSMHXXNE-UHFFFAOYSA-N -1 3 379.441 3.934 50 0 GHAAHM Cc1sc([N-]C(=O)c2nc3nccc(C)n3n2)nc1-c1ccc(Cl)cc1 ZINC000007967389 204256018 /nfs/dbraw/zinc/25/60/18/204256018.db2.gz CCBCHNLMGUFQOR-UHFFFAOYSA-N -1 3 384.852 3.770 50 0 GHAAHM CCOC(=O)c1c(C)oc2nc(COc3ccc(Cl)c(Cl)c3)[n-]c(=O)c21 ZINC000008134940 204263610 /nfs/dbraw/zinc/26/36/10/204263610.db2.gz LAGGUBAPRKAXCB-UHFFFAOYSA-N -1 3 397.214 3.887 50 0 GHAAHM Cc1ccc(N2C[C@@H](c3nnc([N-]C(=O)c4cccs4)s3)CC2=O)cc1C ZINC000009199388 204301912 /nfs/dbraw/zinc/30/19/12/204301912.db2.gz DVJQDSQDDDLFCN-ZDUSSCGKSA-N -1 3 398.513 3.989 50 0 GHAAHM COc1ccc(NC(=O)CCc2c(C)c3ccc([O-])c(C)c3oc2=O)cc1OC ZINC000009575275 204316227 /nfs/dbraw/zinc/31/62/27/204316227.db2.gz LFYYUSPZISUAQE-UHFFFAOYSA-N -1 3 397.427 3.704 50 0 GHAAHM C[C@@H](Sc1nnnn1C1CC1)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000009593771 204316850 /nfs/dbraw/zinc/31/68/50/204316850.db2.gz JEOVTBMPPNKJTR-SNVBAGLBSA-N -1 3 396.501 3.826 50 0 GHAAHM COc1ccccc1-n1ncc2c1nc(SCc1ccccc1C)[n-]c2=O ZINC000009621931 204318459 /nfs/dbraw/zinc/31/84/59/204318459.db2.gz IKTOVTSVSLZHNC-UHFFFAOYSA-N -1 3 378.457 3.718 50 0 GHAAHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCOc1cccc2ccccc21 ZINC000056409489 205151569 /nfs/dbraw/zinc/15/15/69/205151569.db2.gz QNBYXOLUICFWQX-UHFFFAOYSA-N -1 3 384.457 3.619 50 0 GHAAHM CCCn1nccc1-c1csc(S(=O)(=O)[N-]Cc2ccccc2C)c1 ZINC000065112625 205210947 /nfs/dbraw/zinc/21/09/47/205210947.db2.gz OXBUISHLLBBGRR-UHFFFAOYSA-N -1 3 375.519 3.809 50 0 GHAAHM Cc1ccc([O-])c(C(=O)N2CCOc3c(O)cc(-c4cccnc4)cc3C2)c1 ZINC000067688313 205253554 /nfs/dbraw/zinc/25/35/54/205253554.db2.gz PWJLFZXMDJCPGU-UHFFFAOYSA-N -1 3 376.412 3.503 50 0 GHAAHM CC1(C)C[C@]1(C(=O)NCCc1cc(=O)[n-]c(-c2ccccc2)n1)c1cccs1 ZINC000067841588 205261889 /nfs/dbraw/zinc/26/18/89/205261889.db2.gz SHPBGMULCBJYAW-JOCHJYFZSA-N -1 3 393.512 3.525 50 0 GHAAHM COc1ccc2cc([C@H]3CN(C(=O)c4ccc([O-])c(OC)c4)CCO3)ccc2c1 ZINC000071747173 205289756 /nfs/dbraw/zinc/28/97/56/205289756.db2.gz BZQWCASMCBSCJV-JOCHJYFZSA-N -1 3 393.439 3.776 50 0 GHAAHM CCOc1cc(/C=C2\NC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1[O-] ZINC000100391926 205607282 /nfs/dbraw/zinc/60/72/82/205607282.db2.gz IMJWMYWSIOVJCU-DHDCSXOGSA-N -1 3 388.876 3.702 50 0 GHAAHM CCOC(=O)c1c(C)c(C)sc1[N-]C(=O)c1nc(SC)ncc1Cl ZINC000001067302 205806571 /nfs/dbraw/zinc/80/65/71/205806571.db2.gz FTOMEYZJFJMACO-UHFFFAOYSA-N -1 3 385.898 3.959 50 0 GHAAHM Cc1cc(S(=O)(=O)[N-]CCc2ccc([C@@H](C)O)s2)c(Cl)cc1Cl ZINC000225689133 206067957 /nfs/dbraw/zinc/06/79/57/206067957.db2.gz JROYPOBOYODAQG-SNVBAGLBSA-N -1 3 394.345 3.938 50 0 GHAAHM O=S(=O)([N-]Cc1cccnc1Oc1cccc(F)c1)c1ccccc1F ZINC000032437785 206089635 /nfs/dbraw/zinc/08/96/35/206089635.db2.gz WEGOKOIJSIABPI-UHFFFAOYSA-N -1 3 376.384 3.631 50 0 GHAAHM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2cccc(Oc3ccccc3)c2)cc1 ZINC000032745869 206094105 /nfs/dbraw/zinc/09/41/05/206094105.db2.gz CUXTWHJRBBHXKC-UHFFFAOYSA-N -1 3 396.468 3.780 50 0 GHAAHM COc1cc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc(Cl)c1[O-] ZINC000012556284 221206806 /nfs/dbraw/zinc/20/68/06/221206806.db2.gz XYFWAKQHGMSDFA-BFUOFWGJSA-N -1 3 388.851 3.800 50 0 GHAAHM COc1cc2c([O-])c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3 ZINC000000828203 560178765 /nfs/dbraw/zinc/17/87/65/560178765.db2.gz VMEJANRODATDOF-UHFFFAOYSA-N -1 3 380.352 3.629 50 0 biogenic,in-vitro GHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(I)cc2)c(C)c1 ZINC000000682376 570217207 /nfs/dbraw/zinc/21/72/07/570217207.db2.gz NSNMTSGAUQPAQT-UHFFFAOYSA-N -1 3 387.242 3.709 50 0 GHAAHM C[C@@H]1CSc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2NC1=O ZINC000015730821 570222856 /nfs/dbraw/zinc/22/28/56/570222856.db2.gz OTAMTWRZHKDGBP-SNVBAGLBSA-N -1 3 382.894 3.821 50 0 GHAAHM COc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1[O-] ZINC000019909485 570229316 /nfs/dbraw/zinc/22/93/16/570229316.db2.gz XEBHBTQVLVOFLA-UHFFFAOYSA-N -1 3 385.199 3.756 50 0 GHAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc(COc3cc(C)cc(C)c3)o2)N1 ZINC000000652757 570284128 /nfs/dbraw/zinc/28/41/28/570284128.db2.gz UPLFXNJSQWFBQF-GOSISDBHSA-N -1 3 396.365 3.948 50 0 GHAAHM Cc1sc2[nH]c(CS[C@H](C)C(=O)Nc3ccccc3[O-])nc(=O)c2c1C ZINC000022024215 570302281 /nfs/dbraw/zinc/30/22/81/570302281.db2.gz UOQFNYOZXCEYRL-LLVKDONJSA-N -1 3 389.502 3.567 50 0 GHAAHM COc1c(Br)cc(C=C2SC(=O)[N-]C2=O)cc1Br ZINC000016194447 570319422 /nfs/dbraw/zinc/31/94/22/570319422.db2.gz QXEKLTNOLUIGMQ-YWEYNIOJSA-N -1 3 393.056 3.544 50 0 GHAAHM O=S(=O)([N-]C[C@@H](c1ccco1)N1CCCCC1)c1ccc(F)cc1Cl ZINC000044298262 570435026 /nfs/dbraw/zinc/43/50/26/570435026.db2.gz NHIJXLBLLOPHLV-HNNXBMFYSA-N -1 3 386.876 3.578 50 0 GHAAHM CC[C@@H](C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)CC1 ZINC000033274539 570523084 /nfs/dbraw/zinc/52/30/84/570523084.db2.gz ZENKJBNNAAWGFQ-MRXNPFEDSA-N -1 3 386.517 3.742 50 0 GHAAHM CC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2s1 ZINC000033007568 570620931 /nfs/dbraw/zinc/62/09/31/570620931.db2.gz VNGFPANWYAXOIK-UHFFFAOYSA-N -1 3 389.502 3.981 50 0 GHAAHM Cc1oc(-c2cccc(Cl)c2)nc1CSc1nc2c(nc[n-]c2=O)n1C ZINC000012372652 570648237 /nfs/dbraw/zinc/64/82/37/570648237.db2.gz VEVVAOJVKJKPJY-UHFFFAOYSA-N -1 3 387.852 3.566 50 0 biogenic,in-vitro GHAAHM O=C(Nc1ccc2c(c1)CCC2)N1CCc2c(=O)[n-]c(-c3ccccc3)nc2C1 ZINC000065260220 570762395 /nfs/dbraw/zinc/76/23/95/570762395.db2.gz FDBHSMGVKIWUSQ-UHFFFAOYSA-N -1 3 386.455 3.516 50 0 GHAAHM Cc1sc2[n-]c(COC(=O)c3cccc(OC(F)F)c3)nc(=O)c2c1C ZINC000013638235 570765731 /nfs/dbraw/zinc/76/57/31/570765731.db2.gz XQLJTRSKGRULMR-UHFFFAOYSA-N -1 3 380.372 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ZINC000018240624 570952121 /nfs/dbraw/zinc/95/21/21/570952121.db2.gz SIMSMISXQMIKCU-UHFFFAOYSA-N -1 3 392.528 3.697 50 0 GHAAHM Cc1ccc(C)c(-c2csc([N-]C(=O)c3nc4nc(C)cc(C)n4n3)n2)c1 ZINC000007723630 571021962 /nfs/dbraw/zinc/02/19/62/571021962.db2.gz DNEQXVFTLUVQCS-UHFFFAOYSA-N -1 3 378.461 3.734 50 0 GHAAHM CCOC(=O)[C@@H](C)Sc1nnc([N-]C(=O)c2c(F)cccc2Cl)s1 ZINC000004079377 862761040 /nfs/dbraw/zinc/76/10/40/862761040.db2.gz GNWVSZZQFVVRKE-SSDOTTSWSA-N -1 3 389.861 3.627 50 0 GHAAHM Cc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(C/C=C/c4ccccc4)CC3)c2c1 ZINC000032073878 862799702 /nfs/dbraw/zinc/79/97/02/862799702.db2.gz TVPPQQBMTHCFRE-NPOAWEEOSA-N -1 3 389.499 3.933 50 0 GHAAHM Cc1[nH]c(=S)[n-]c(=O)c1CCC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000010321216 857438639 /nfs/dbraw/zinc/43/86/39/857438639.db2.gz LBBVHCQXGSZYEA-UHFFFAOYSA-N -1 3 389.811 3.567 50 0 GHAAHM [O-]c1cc2ccccc2cc1-c1nc2c3cnn(-c4ccccc4)c3ncn2n1 ZINC000002235916 860022218 /nfs/dbraw/zinc/02/22/18/860022218.db2.gz GBPFFMJUZQWTMN-UHFFFAOYSA-N 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O=S(=O)([N-][C@H]1CCCN(C2CCCCCC2)C1)c1cc2ccccc2o1 ZINC000072154446 205313861 /nfs/dbraw/zinc/31/38/61/205313861.db2.gz GTIKHBJUYDSQTI-KRWDZBQOSA-N -1 3 376.522 3.898 50 0 GHAAHM C[C@@H](OC(=O)c1cc([O-])ccc1C(F)(F)F)C(=O)N[C@@H](C)c1ccccc1 ZINC000225840982 206080885 /nfs/dbraw/zinc/08/08/85/206080885.db2.gz YISPSUKCCGPGEI-NWDGAFQWSA-N -1 3 381.350 3.834 50 0 GHAAHM COc1ccc(CN(C2CCCCC2)S(=O)(=O)c2ccc([O-])cc2)cc1 ZINC000261494267 206182797 /nfs/dbraw/zinc/18/27/97/206182797.db2.gz TUVNSXSDFUTWAX-UHFFFAOYSA-N -1 3 375.490 3.924 50 0 GHAAHM Cc1nc2ccc(NC(=O)N3CCC[C@@H](c4cc(=O)[n-]c(C)n4)C3)cc2s1 ZINC000299765979 206186151 /nfs/dbraw/zinc/18/61/51/206186151.db2.gz YWZNOWJPIMZTBY-CYBMUJFWSA-N -1 3 383.477 3.820 50 0 GHAAHM CCCCN1c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2CCC1=O ZINC000008840738 136195689 /nfs/dbraw/zinc/19/56/89/136195689.db2.gz CYVSPOSLVZRMBW-UHFFFAOYSA-N -1 3 388.489 3.575 50 0 GHAAHM CCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(F)c(C)c3)ccc21 ZINC000008840579 136195693 /nfs/dbraw/zinc/19/56/93/136195693.db2.gz GGYWIPGAPFEFGK-UHFFFAOYSA-N -1 3 376.453 3.624 50 0 GHAAHM COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCC2)cc(Cl)c1[O-] ZINC000000715190 570219703 /nfs/dbraw/zinc/21/97/03/570219703.db2.gz MVPSDMGFQISYQW-MRXNPFEDSA-N -1 3 394.855 3.558 50 0 GHAAHM Cc1c[nH]c(CN(C)Cc2ccc(-c3nc(C(F)(F)F)c(C)c(=O)[n-]3)cc2)n1 ZINC000048175438 570220106 /nfs/dbraw/zinc/22/01/06/570220106.db2.gz OKDMUYRZAKZJFT-UHFFFAOYSA-N -1 3 391.397 3.840 50 0 GHAAHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)NCCSC3CCCC3)c2)n1 ZINC000048301362 570234382 /nfs/dbraw/zinc/23/43/82/570234382.db2.gz MCFBIZICOBYFSY-UHFFFAOYSA-N -1 3 386.521 3.797 50 0 GHAAHM O=C([O-])[C@@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)N1CCSCC1 ZINC000020726865 570276939 /nfs/dbraw/zinc/27/69/39/570276939.db2.gz SEKMWZMPAMZBNQ-HXUWFJFHSA-N -1 3 382.485 3.921 50 0 GHAAHM O=S(=O)([N-]C(c1ccccc1)c1ccccc1)c1cccc2nsnc21 ZINC000002457883 570287496 /nfs/dbraw/zinc/28/74/96/570287496.db2.gz ARCZGWJJRHWAQR-UHFFFAOYSA-N -1 3 381.482 3.759 50 0 GHAAHM C[C@@H]1CCCCN1C(=O)CSc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000021158462 570288675 /nfs/dbraw/zinc/28/86/75/570288675.db2.gz RZIRSSQUYFOTDS-GFCCVEGCSA-N -1 3 380.901 3.530 50 0 GHAAHM COC(=O)C1([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CCCCC1 ZINC000024483482 570384469 /nfs/dbraw/zinc/38/44/69/570384469.db2.gz IJQNPIJMGASYNM-UHFFFAOYSA-N -1 3 399.818 3.513 50 0 GHAAHM O=C(OCc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1ccc([O-])cc1O ZINC000025532296 570415285 /nfs/dbraw/zinc/41/52/85/570415285.db2.gz NQPNPLIOVFQVTQ-UHFFFAOYSA-N -1 3 380.278 3.524 50 0 GHAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3CCC)cc1 ZINC000239306273 570429069 /nfs/dbraw/zinc/42/90/69/570429069.db2.gz GQPKHYLBDZZBAC-NJDAHSKKSA-N -1 3 394.471 3.954 50 0 GHAAHM C[C@H](c1ccccc1Cl)N1CCN(Cc2nc3ccsc3c(=O)[n-]2)CC1 ZINC000029686037 570478168 /nfs/dbraw/zinc/47/81/68/570478168.db2.gz XOZAHUQQYVJIHG-CYBMUJFWSA-N -1 3 388.924 3.929 50 0 GHAAHM COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2[O-])C12CCCC2 ZINC000032073350 570508101 /nfs/dbraw/zinc/50/81/01/570508101.db2.gz CMGSVQMARXXEKD-FQEVSTJZSA-N -1 3 394.471 3.530 50 0 GHAAHM CCCCCCn1c(=O)c([C@H]2NCCc3c4ccccc4[nH]c32)c([O-])[nH]c1=S ZINC000017198157 570702167 /nfs/dbraw/zinc/70/21/67/570702167.db2.gz IIELFSNHXNFQIU-GOSISDBHSA-N -1 3 398.532 3.908 50 0 biogenic GHAAHM CCCCCCn1c([O-])c([C@H]2NCCc3c4ccccc4[nH]c32)c(=O)[nH]c1=S ZINC000017198157 570702170 /nfs/dbraw/zinc/70/21/70/570702170.db2.gz IIELFSNHXNFQIU-GOSISDBHSA-N -1 3 398.532 3.908 50 0 biogenic GHAAHM Cn1c2ccccc2c2c(c1=O)[C@H](c1ccc(Cl)cc1)c1c(=O)[n-][nH]c1N2 ZINC000018197697 570809353 /nfs/dbraw/zinc/80/93/53/570809353.db2.gz OEZGHMIJAUDSMQ-AWEZNQCLSA-N -1 3 378.819 3.858 50 0 GHAAHM Cn1c2ccccc2c2c(c1=O)[C@H](c1ccc(Cl)cc1)c1c(=O)[nH][n-]c1N2 ZINC000018197697 570809356 /nfs/dbraw/zinc/80/93/56/570809356.db2.gz OEZGHMIJAUDSMQ-AWEZNQCLSA-N -1 3 378.819 3.858 50 0 GHAAHM CC(C)(C)OC(=O)NC1(C)CCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000170602627 570861196 /nfs/dbraw/zinc/86/11/96/570861196.db2.gz INEUHIMOCNFQGP-UHFFFAOYSA-N -1 3 388.508 3.790 50 0 GHAAHM CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccco2)cc1 ZINC000102758943 570862522 /nfs/dbraw/zinc/86/25/22/570862522.db2.gz MBEIPAAIJONRMZ-QHAWAJNXSA-N -1 3 388.423 3.893 50 0 GHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@H](C)C3)c2)cc1 ZINC000012605251 570888278 /nfs/dbraw/zinc/88/82/78/570888278.db2.gz CSMILRMZRLYDKN-INIZCTEOSA-N -1 3 386.517 3.976 50 0 GHAAHM CC(C)OC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000015361925 570892485 /nfs/dbraw/zinc/89/24/85/570892485.db2.gz JAXNKHFDTUOLKK-ZDUSSCGKSA-N -1 3 387.910 3.763 50 0 GHAAHM O=C(CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)[n-]1)Nc1cccc(F)c1 ZINC000016841861 570913555 /nfs/dbraw/zinc/91/35/55/570913555.db2.gz ZIZDVDYOTYHGFV-UHFFFAOYSA-N -1 3 394.431 3.788 50 0 GHAAHM O=S(=O)([N-]c1cncc(Br)c1Cl)c1ccc2c(c1)CCC2 ZINC000089807672 570915810 /nfs/dbraw/zinc/91/58/10/570915810.db2.gz ZMFCJOOKDQWWRC-UHFFFAOYSA-N -1 3 387.686 3.787 50 0 GHAAHM O=C(c1ccc(CN2CCCCC2)o1)N1NC2=C(CCCC2)[C@]1([O-])C(F)(F)F ZINC000033327065 570981199 /nfs/dbraw/zinc/98/11/99/570981199.db2.gz OVWHWPFRXZCGGU-KDOFPFPSSA-N -1 3 399.413 3.518 50 0 GHAAHM O=C(c1ccc(CN2CCCCC2)o1)N1NC2=C(CCCC2)[C@]1([O-])C(F)(F)F ZINC000033327067 570981431 /nfs/dbraw/zinc/98/14/31/570981431.db2.gz OVWHWPFRXZCGGU-KSSFIOAISA-N -1 3 399.413 3.518 50 0 GHAAHM O=C(COC(=O)c1ccc([O-])cc1)Nc1ccc(OCc2ccccc2)cc1 ZINC000003310489 862330904 /nfs/dbraw/zinc/33/09/04/862330904.db2.gz LKQVJJIJTZFJDM-UHFFFAOYSA-N -1 3 377.396 3.767 50 0 GHAAHM COC(=O)[C@]([O-])(c1ccc(NC(=O)Nc2ccccc2)c(C)c1)C(F)(F)F ZINC000002323074 855237596 /nfs/dbraw/zinc/23/75/96/855237596.db2.gz BNBSPEARUPZNRY-QGZVFWFLSA-N -1 3 382.338 3.562 50 0 GHAAHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)C(C)(C)CO3)cc1 ZINC000009173605 856930565 /nfs/dbraw/zinc/93/05/65/856930565.db2.gz OHLHDGCQEWYDEN-UHFFFAOYSA-N -1 3 388.489 3.968 50 0 GHAAHM Cc1ccccc1[C@@H]1CC(c2ccccc2[N-]S(C)(=O)=O)=NN1C(=O)C(C)C ZINC000009378581 857171489 /nfs/dbraw/zinc/17/14/89/857171489.db2.gz GRSBYRMABYQYNV-FQEVSTJZSA-N -1 3 399.516 3.700 50 0 GHAAHM Cc1nn(-c2ccc(F)cc2)c2ncc(C(=O)Nc3ccccc3C)c([O-])c12 ZINC000004316380 862955711 /nfs/dbraw/zinc/95/57/11/862955711.db2.gz FORPJLAKWWRILX-UHFFFAOYSA-N -1 3 376.391 3.722 50 0 GHAAHM Cc1c(Br)ccc([O-])c1NC(=O)C[C@H](n1cccn1)C(F)(F)F ZINC000615473474 859955588 /nfs/dbraw/zinc/95/55/88/859955588.db2.gz FIDXKJGJDNJOCI-NSHDSACASA-N -1 3 392.175 3.792 50 0 GHAAHM Cc1c(-c2nsc([N-]C(=O)c3ccco3)n2)nnn1-c1cc(C)cc(C)c1 ZINC000020848779 860655824 /nfs/dbraw/zinc/65/58/24/860655824.db2.gz ZOQYDAZRIDHGSV-UHFFFAOYSA-N -1 3 380.433 3.556 50 0 GHAAHM Cc1c(-c2nsc([N-]C(=O)c3ccco3)n2)nnn1-c1ccc(Cl)cc1 ZINC000020848750 860655860 /nfs/dbraw/zinc/65/58/60/860655860.db2.gz BTNIRZRYHRNEAM-UHFFFAOYSA-N -1 3 386.824 3.593 50 0 GHAAHM O=C1[N-]C(=O)/C(=C\c2ccc(-n3ccc(C(F)(F)F)n3)cc2)c2ccccc21 ZINC000098054937 864402850 /nfs/dbraw/zinc/40/28/50/864402850.db2.gz XSIJMKDURXETER-WJDWOHSUSA-N -1 3 383.329 3.702 50 0 GHAAHM Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(Cl)cnc2Br)c1 ZINC000380513102 882044423 /nfs/dbraw/zinc/04/44/23/882044423.db2.gz PVUFXOJLKVEUML-UHFFFAOYSA-N -1 3 379.638 3.746 50 0 GHAAHM COc1ccccc1C=CC(=O)OCc1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000002617166 900901852 /nfs/dbraw/zinc/90/18/52/900901852.db2.gz KYJXNFCFUDGWLP-ZHACJKMWSA-N -1 3 396.468 3.629 50 0 GHAAHM C/C=C/C=C\C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000096646050 914878725 /nfs/dbraw/zinc/87/87/25/914878725.db2.gz CCYICXQELNJNFH-DEQVHDEQSA-N -1 3 386.473 3.875 50 0 GHAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccco1 ZINC000004166054 204030713 /nfs/dbraw/zinc/03/07/13/204030713.db2.gz ZFLJYOAQDAVHEY-GUDVDZBRSA-N -1 3 394.814 3.984 50 0 GHAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)C2c3ccccc3Oc3ccccc32)N1 ZINC000004178774 204031340 /nfs/dbraw/zinc/03/13/40/204031340.db2.gz QRKWINHLBPWVAU-SFHVURJKSA-N -1 3 376.334 3.783 50 0 GHAAHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3cn4cccnc4n3)c2)cc1 ZINC000004809201 204076617 /nfs/dbraw/zinc/07/66/17/204076617.db2.gz ZNTMZSXOQJBHMR-UHFFFAOYSA-N -1 3 394.456 3.596 50 0 GHAAHM CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1ccccc1[O-] ZINC000004842428 204081802 /nfs/dbraw/zinc/08/18/02/204081802.db2.gz FSWPMUUARRUAIF-AWEZNQCLSA-N -1 3 382.489 3.640 50 0 GHAAHM Cc1cc([O-])c(-c2n[nH]c3c2[C@H](c2ccccc2)N(CCCO)C3=O)cc1Cl ZINC000005341587 204126726 /nfs/dbraw/zinc/12/67/26/204126726.db2.gz MYARCDYAJVOZKI-FQEVSTJZSA-N -1 3 397.862 3.672 50 0 GHAAHM Cc1ccc(OCC(=O)N2NC3=C(CCCCC3)[C@]2([O-])C(F)(F)F)cc1C ZINC000005024390 204103524 /nfs/dbraw/zinc/10/35/24/204103524.db2.gz AXQKTTYQSLEIPV-QAPCUYQASA-N -1 3 384.398 3.712 50 0 GHAAHM [O-]c1ccc2c(c1)Oc1ncn3nc(-c4ccncc4)nc3c1[C@H]2c1ccco1 ZINC000005351323 204127851 /nfs/dbraw/zinc/12/78/51/204127851.db2.gz ZLHWJZRBKUDOIT-QGZVFWFLSA-N -1 3 383.367 3.771 50 0 GHAAHM O=C(CSc1n[n-]c(-c2ccccn2)n1)Nc1cc(Cl)ccc1Cl ZINC000117112452 204163325 /nfs/dbraw/zinc/16/33/25/204163325.db2.gz BGIVDLNNGYEIDF-UHFFFAOYSA-N -1 3 380.260 3.904 50 0 GHAAHM CCCn1c(=O)c(C(=O)Nc2cc(Cl)ccc2OC)c([O-])c2c1CCCC2 ZINC000005444280 204131589 /nfs/dbraw/zinc/13/15/89/204131589.db2.gz LDNWXOHEXPEZCL-UHFFFAOYSA-N -1 3 390.867 3.757 50 0 GHAAHM Cc1ccccc1-c1cc(C(F)(F)F)c2c(=O)[n-]c(=O)n(CC(C)C)c2n1 ZINC000007007581 204230386 /nfs/dbraw/zinc/23/03/86/204230386.db2.gz MWDDURMWXCRYKV-UHFFFAOYSA-N -1 3 377.366 3.735 50 0 GHAAHM Cc1occc1-c1nnc(SCc2cc(=O)oc3c(C)c([O-])ccc23)n1C ZINC000007236350 204236533 /nfs/dbraw/zinc/23/65/33/204236533.db2.gz IQIXUTDGFVVNAK-UHFFFAOYSA-N -1 3 383.429 3.796 50 0 GHAAHM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)ccc21 ZINC000008600713 204280928 /nfs/dbraw/zinc/28/09/28/204280928.db2.gz IYRGQOBUPOSEAR-UHFFFAOYSA-N -1 3 382.844 3.579 50 0 GHAAHM CCOC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1cccs1 ZINC000009320843 204306918 /nfs/dbraw/zinc/30/69/18/204306918.db2.gz FPNDZRKMMBQCEB-UHFFFAOYSA-N -1 3 381.500 3.618 50 0 GHAAHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)cc1OC ZINC000011613844 204347450 /nfs/dbraw/zinc/34/74/50/204347450.db2.gz POIPVDKPHKMHDP-UHFFFAOYSA-N -1 3 390.288 3.532 50 0 GHAAHM CCCCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)cc1C ZINC000011565959 204348133 /nfs/dbraw/zinc/34/81/33/204348133.db2.gz JPZWDFAZOYQKKK-UHFFFAOYSA-N -1 3 376.478 3.933 50 0 GHAAHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc(Cn3cncn3)c2)c(C)c1C ZINC000040149796 205058658 /nfs/dbraw/zinc/05/86/58/205058658.db2.gz GHOSRSSIVZGSFQ-UHFFFAOYSA-N -1 3 384.505 3.669 50 0 GHAAHM COc1cccc(OC)c1C([O-])=C1CC(=O)Nc2c1c(C)nn2-c1ccccc1 ZINC000046057464 205103931 /nfs/dbraw/zinc/10/39/31/205103931.db2.gz XVSXUGHSIWFYTK-OAHLLOKOSA-N -1 3 391.427 3.507 50 0 GHAAHM COc1ccc(-c2cc(C(=O)[N-]c3nc(C)c(C(C)=O)s3)no2)cc1OC ZINC000046086450 205104505 /nfs/dbraw/zinc/10/45/05/205104505.db2.gz HQEBNBLIWFZBON-UHFFFAOYSA-N -1 3 387.417 3.579 50 0 GHAAHM CCc1csc(-c2ccc(S(=O)(=O)[N-]CCN3CCCC[C@H]3C)s2)n1 ZINC000064755861 205193644 /nfs/dbraw/zinc/19/36/44/205193644.db2.gz WYEZEHZUIZLSIY-CYBMUJFWSA-N -1 3 399.607 3.587 50 0 GHAAHM CC(=O)N1CCC2(CC1)N=C(c1ccccc1[O-])C[C@@H](c1ccc(Cl)cc1)N2 ZINC000065298524 205228289 /nfs/dbraw/zinc/22/82/89/205228289.db2.gz LGEABCXSHGWXSN-IBGZPJMESA-N -1 3 397.906 3.908 50 0 biogenic GHAAHM Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@@H](c2cc(=O)[n-]cn2)C1 ZINC000071711920 205288384 /nfs/dbraw/zinc/28/83/84/205288384.db2.gz CADCYHBOCDZKJW-OAHLLOKOSA-N -1 3 384.867 3.766 50 0 GHAAHM O=S(=O)([N-]C[C@H](c1cccs1)N1CCCC1)c1ccc(F)cc1Cl ZINC000071849025 205299571 /nfs/dbraw/zinc/29/95/71/205299571.db2.gz TYFJTMSWSMBNGJ-CQSZACIVSA-N -1 3 388.917 3.656 50 0 GHAAHM C[C@@H](NC(=O)[C@H](C)OC(=O)c1cc([O-])ccc1C(F)(F)F)c1ccccc1 ZINC000225840934 206080753 /nfs/dbraw/zinc/08/07/53/206080753.db2.gz YISPSUKCCGPGEI-NEPJUHHUSA-N -1 3 381.350 3.834 50 0 GHAAHM O=S(=O)([N-]Cc1cccnc1Oc1cccc(F)c1)c1ccc(F)c(F)c1 ZINC000032437736 206088186 /nfs/dbraw/zinc/08/81/86/206088186.db2.gz XDWTUNCPZLDGHH-UHFFFAOYSA-N -1 3 394.374 3.770 50 0 GHAAHM C[C@@H]1CN(c2cccc(-c3ccccc3)c2)C(=O)CN1C(=O)c1cccc([O-])c1 ZINC000082099344 136173664 /nfs/dbraw/zinc/17/36/64/136173664.db2.gz PRESYNMKWMHJLB-QGZVFWFLSA-N -1 3 386.451 3.937 50 0 GHAAHM Cc1cc(-c2ccc(S(=O)(=O)[N-]CCc3ccc(Cl)cc3)s2)on1 ZINC000015731243 570223413 /nfs/dbraw/zinc/22/34/13/570223413.db2.gz RWZFHWDDKIGSNV-UHFFFAOYSA-N -1 3 382.894 3.886 50 0 GHAAHM O=C(c1ccccc1[O-])N1NC(C(F)(F)F)=C[C@]1(O)c1ccc(Cl)cc1 ZINC000000820290 570225254 /nfs/dbraw/zinc/22/52/54/570225254.db2.gz WJWBZNVQXNIKTQ-INIZCTEOSA-N -1 3 384.741 3.655 50 0 GHAAHM CN1CCc2c(sc3ncn4nc(-c5ccc6ccccc6c5[O-])nc4c23)C1 ZINC000020023730 570235163 /nfs/dbraw/zinc/23/51/63/570235163.db2.gz ZGCUMJIRWSLVKE-UHFFFAOYSA-N -1 3 387.468 3.853 50 0 GHAAHM CC(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc([O-])cc2)C3=O)cc1 ZINC000001010585 570235193 /nfs/dbraw/zinc/23/51/93/570235193.db2.gz UABGNQZAMDPJKC-UHFFFAOYSA-N -1 3 388.379 3.944 50 0 GHAAHM COc1cc(Br)cc2cc(C(=O)Nc3ccccc3[O-])c(=O)oc21 ZINC000001109811 570242278 /nfs/dbraw/zinc/24/22/78/570242278.db2.gz PGJKJDMVDNFSBL-UHFFFAOYSA-N -1 3 390.189 3.522 50 0 GHAAHM Cc1cccc(CN2CCN(Cn3nc(-c4cccs4)[n-]c3=S)CC2)c1 ZINC000022815681 570329877 /nfs/dbraw/zinc/32/98/77/570329877.db2.gz CUTUPXRWEWCSQZ-UHFFFAOYSA-N -1 3 385.562 3.753 50 0 GHAAHM CCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc2)CC1 ZINC000033274648 570523402 /nfs/dbraw/zinc/52/34/02/570523402.db2.gz SIWYETNAPWYXCG-UHFFFAOYSA-N -1 3 386.517 3.779 50 0 GHAAHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2cnc3ccccc3n2)CC1 ZINC000052427755 570749373 /nfs/dbraw/zinc/74/93/73/570749373.db2.gz YTULCXFQGSGUII-UHFFFAOYSA-N -1 3 382.851 3.844 50 0 GHAAHM Cn1c(SCC(=O)Nc2cc(Cl)ccc2[O-])nnc1-c1ccccc1F ZINC000009615063 570776721 /nfs/dbraw/zinc/77/67/21/570776721.db2.gz ZSVAGOHPMSYXFF-UHFFFAOYSA-N -1 3 392.843 3.711 50 0 GHAAHM COc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Cl)c1[O-] ZINC000013939760 570807137 /nfs/dbraw/zinc/80/71/37/570807137.db2.gz WLKYLHBBRYQUMK-AUWJEWJLSA-N -1 3 393.226 3.801 50 0 GHAAHM CCOC(=O)c1sc2[n-]c(CN[C@H](c3ccccc3)C(C)C)nc(=O)c2c1C ZINC000014086068 570819846 /nfs/dbraw/zinc/81/98/46/570819846.db2.gz XRCLBQVGFCDWAV-KRWDZBQOSA-N -1 3 399.516 3.957 50 0 GHAAHM Cc1ccc(NCc2cc(=O)n3nc(NCc4ccc(Cl)cc4)[n-]c3n2)cc1 ZINC000101795953 570833983 /nfs/dbraw/zinc/83/39/83/570833983.db2.gz YYNAAAIEAGOSDG-UHFFFAOYSA-N -1 3 394.866 3.604 50 0 GHAAHM Cc1cc(C)c(NC(=O)CN2CCC(C(=O)Nc3ccccc3[O-])CC2)c(C)c1 ZINC000015042427 570873567 /nfs/dbraw/zinc/87/35/67/570873567.db2.gz XFEALQKIGIZPAY-UHFFFAOYSA-N -1 3 395.503 3.607 50 0 GHAAHM CCOC(=O)C(=O)[N-]c1sc2c(c1C(=O)OCC)CC[C@H](C(C)(C)C)C2 ZINC000022333431 570886304 /nfs/dbraw/zinc/88/63/04/570886304.db2.gz LOIGCICPUUDSBT-NSHDSACASA-N -1 3 381.494 3.577 50 0 GHAAHM Cc1csc(C(=O)[N-]c2nnc(SCC(=O)N3CCC(C)CC3)s2)c1 ZINC000042379258 570890406 /nfs/dbraw/zinc/89/04/06/570890406.db2.gz VEZFSXOYEZSOIC-UHFFFAOYSA-N -1 3 396.563 3.511 50 0 GHAAHM CNC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 ZINC000032903093 570901483 /nfs/dbraw/zinc/90/14/83/570901483.db2.gz DUMIVCICZAIEJO-UHFFFAOYSA-N -1 3 375.494 3.781 50 0 GHAAHM O=C(Nc1nc2c(s1)COCC2)c1cc(OCc2ccccc2)ccc1[O-] ZINC000170634674 570928896 /nfs/dbraw/zinc/92/88/96/570928896.db2.gz DBENGBACWJOXHZ-UHFFFAOYSA-N -1 3 382.441 3.753 50 0 GHAAHM CC[C@@H](Sc1nc2ccccc2c(=O)[n-]1)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000018218152 570951515 /nfs/dbraw/zinc/95/15/15/570951515.db2.gz IVJJEVDRHUKHKE-QGZVFWFLSA-N -1 3 381.457 3.635 50 0 GHAAHM CCc1cc(-c2csc(S(=O)(=O)[N-]CCCc3ccccc3)c2)on1 ZINC000033290279 570958244 /nfs/dbraw/zinc/95/82/44/570958244.db2.gz BWIMHBXYUHWYFF-UHFFFAOYSA-N -1 3 376.503 3.877 50 0 GHAAHM O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(OC(F)(F)F)cc2)N1 ZINC000002151519 570972935 /nfs/dbraw/zinc/97/29/35/570972935.db2.gz BSLISAZEHOCJOB-HOTGVXAUSA-N -1 3 376.334 3.755 50 0 biogenic GHAAHM O=S(=O)(Cc1cc(F)ccc1F)[N-]C[C@H](c1ccco1)c1cccs1 ZINC000585147743 570978307 /nfs/dbraw/zinc/97/83/07/570978307.db2.gz VUNDYBHCFDSZAG-CQSZACIVSA-N -1 3 383.441 3.871 50 0 GHAAHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@H]2C[C@H]2C2CCC2)CC1 ZINC000170653551 570999233 /nfs/dbraw/zinc/99/92/33/570999233.db2.gz YZGZTLAGWKGQAT-HOTGVXAUSA-N -1 3 376.884 3.659 50 0 GHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NC1CCCCC1 ZINC000012755192 571006404 /nfs/dbraw/zinc/00/64/04/571006404.db2.gz HDWQAPJBJTVOEU-UHFFFAOYSA-N -1 3 390.480 3.997 50 0 GHAAHM CC[C@@H]1CCCN1C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O ZINC000091440953 571008127 /nfs/dbraw/zinc/00/81/27/571008127.db2.gz SSAOCQYRGBAPKR-LLVKDONJSA-N -1 3 380.275 3.682 50 0 GHAAHM CC(C)c1cccc(NC(=O)[C@H]([N-]S(=O)(=O)c2cccs2)C(C)C)c1 ZINC000012784714 571037788 /nfs/dbraw/zinc/03/77/88/571037788.db2.gz ANLJBGGIWWZRMQ-QGZVFWFLSA-N -1 3 380.535 3.813 50 0 GHAAHM COc1ccc(C(=O)Nc2cccc(/C=C3\C(=O)[N-]C(=O)c4ccccc43)c2)cc1 ZINC000015661992 846666298 /nfs/dbraw/zinc/66/62/98/846666298.db2.gz LBEVRBVAFLYEFR-STZFKDTASA-N -1 3 398.418 3.758 50 0 GHAAHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)C1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC000616823279 859961492 /nfs/dbraw/zinc/96/14/92/859961492.db2.gz KRMONQVWNGATLP-HNNXBMFYSA-N -1 3 395.381 3.642 50 0 GHAAHM Cc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)c1 ZINC000020888987 860664841 /nfs/dbraw/zinc/66/48/41/860664841.db2.gz FWDQTWUEWNVHRH-GFCCVEGCSA-N -1 3 377.853 3.738 50 0 GHAAHM COC(=O)c1nc(NC(=O)c2[n-]nc3c2COc2ccccc2-3)sc1C(C)C ZINC000096223628 860813845 /nfs/dbraw/zinc/81/38/45/860813845.db2.gz QBTZLCXPGSZHEZ-UHFFFAOYSA-N -1 3 398.444 3.588 50 0 GHAAHM Cc1noc(C)c1S(=O)(=O)[N-]CC[C@@H](c1ccco1)c1ccc(F)cc1 ZINC000670435714 893257778 /nfs/dbraw/zinc/25/77/78/893257778.db2.gz BMDKFPNNWZCVMN-MRXNPFEDSA-N -1 3 378.425 3.524 50 0 GHAAHM O=C(CSc1nnc([N-]c2ccccc2F)s1)NCc1ccc(F)cc1 ZINC000003469115 204008890 /nfs/dbraw/zinc/00/88/90/204008890.db2.gz GBXBNOQQKSTGOL-UHFFFAOYSA-N -1 3 392.456 3.968 50 0 GHAAHM Cc1c([O-])ccc2c(C)c(CCC(=O)NCCc3ccccc3F)c(=O)oc12 ZINC000004743432 204072464 /nfs/dbraw/zinc/07/24/64/204072464.db2.gz WYLYTRDSITXBIT-UHFFFAOYSA-N -1 3 383.419 3.546 50 0 GHAAHM CC(C)CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc(Br)cc2)N1 ZINC000004503244 204048718 /nfs/dbraw/zinc/04/87/18/204048718.db2.gz IQMYGOGPKBCAKI-CQSZACIVSA-N -1 3 393.203 3.948 50 0 GHAAHM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)c1cccs1 ZINC000004965676 204097536 /nfs/dbraw/zinc/09/75/36/204097536.db2.gz CVQGQLBGIWUQCD-UHFFFAOYSA-N -1 3 376.434 3.940 50 0 GHAAHM COc1ccc2[nH]c(=NC(=S)[N-]C(=O)c3cccc(Cl)c3)sc2c1 ZINC000006847801 204215409 /nfs/dbraw/zinc/21/54/09/204215409.db2.gz UCLWMXZTQGEQPT-UHFFFAOYSA-N -1 3 377.878 3.507 50 0 GHAAHM Cc1c(-c2nsc([N-]C(=O)c3cccs3)n2)nnn1-c1ccc(F)cc1 ZINC000006914534 204224176 /nfs/dbraw/zinc/22/41/76/204224176.db2.gz IFKWDEBFLDDUJR-UHFFFAOYSA-N -1 3 386.437 3.547 50 0 aggregator GHAAHM O=C(CSc1n[n-]c(-c2cccs2)n1)c1ccc(N2CCCC2=O)cc1 ZINC000007725897 204247148 /nfs/dbraw/zinc/24/71/48/204247148.db2.gz UVHZHWWNVBQLQV-UHFFFAOYSA-N -1 3 384.486 3.635 50 0 GHAAHM Cc1nc(N2CCN(c3ccccc3)CC2)[n-]c(=O)c1Cc1ccc(Cl)cc1 ZINC000008974272 204295231 /nfs/dbraw/zinc/29/52/31/204295231.db2.gz LLNZYSYVHHADPE-UHFFFAOYSA-N -1 3 394.906 3.649 50 0 GHAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)Nc3cccc4ncccc43)cc2O1 ZINC000009306639 204307287 /nfs/dbraw/zinc/30/72/87/204307287.db2.gz VLNNYYSMHMXBBW-UHFFFAOYSA-N -1 3 392.411 3.702 50 0 GHAAHM COc1ccc(NC(=O)c2cc(=O)c(OCc3ccccc3)c[n-]2)c(OC)c1 ZINC000012168151 204378290 /nfs/dbraw/zinc/37/82/90/204378290.db2.gz YTARZGUSWBTMDD-UHFFFAOYSA-N -1 3 380.400 3.636 50 0 GHAAHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cnc(-c4ccccc4)nc3)c2)n1 ZINC000065479070 205236020 /nfs/dbraw/zinc/23/60/20/205236020.db2.gz SIMCJKQIXOCPJI-UHFFFAOYSA-N -1 3 397.438 3.709 50 0 GHAAHM Cc1ccc2[nH]c(C(=O)[O-])c(CN3CC[C@@H](c4ccc(F)cc4)[C@H](O)C3)c2c1 ZINC000067741753 205259482 /nfs/dbraw/zinc/25/94/82/205259482.db2.gz FJFFLNNYGFTVKI-OXJNMPFZSA-N -1 3 382.435 3.664 50 0 GHAAHM O=S(=O)([N-]Cc1ccc(-c2ccco2)nc1)c1ccccc1C(F)(F)F ZINC000225753579 206073301 /nfs/dbraw/zinc/07/33/01/206073301.db2.gz IARSKRQRRGEIPQ-UHFFFAOYSA-N -1 3 382.363 3.839 50 0 GHAAHM CCCC[C@H]1Oc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2NC1=O ZINC000252478043 206137828 /nfs/dbraw/zinc/13/78/28/206137828.db2.gz AARXJQWJBSVKIW-QGZVFWFLSA-N -1 3 378.425 3.516 50 0 GHAAHM O=C(c1cccc(-c2cccc(F)c2[O-])c1)N1CCC[C@@H](Cn2ccnc2)C1 ZINC000299783692 206190065 /nfs/dbraw/zinc/19/00/65/206190065.db2.gz WZBYZOFNDOEKFQ-INIZCTEOSA-N -1 3 379.435 3.947 50 0 GHAAHM O=C([O-])c1ccc([C@@H]2CCCN(Cc3cnc(N4CCCCC4)nc3)C2)cc1 ZINC000095370724 136178490 /nfs/dbraw/zinc/17/84/90/136178490.db2.gz ZWJJYMLSIWAMIA-HXUWFJFHSA-N -1 3 380.492 3.545 50 0 GHAAHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCN(c4ccccc4Cl)CC3)c[n-]c12 ZINC000155311468 136195851 /nfs/dbraw/zinc/19/58/51/136195851.db2.gz NVPZGFGSQMIFOO-UHFFFAOYSA-N -1 3 399.853 3.591 50 0 GHAAHM CCOc1cc(C(=S)N2CCCCC2)cc(I)c1[O-] ZINC000104055316 528239551 /nfs/dbraw/zinc/23/95/51/528239551.db2.gz BBMVZTHRNIVEIH-UHFFFAOYSA-N -1 3 391.274 3.557 50 0 GHAAHM COC(=O)c1ccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4[nH]3)c2)cc1 ZINC000000677216 570216464 /nfs/dbraw/zinc/21/64/64/570216464.db2.gz SEQLYKMAZDBBRQ-UHFFFAOYSA-N -1 3 387.395 3.974 50 0 GHAAHM Cc1c(C(=O)OC(C)C)sc([N-]C(=O)C(F)(F)F)c1C(=O)OC(C)C ZINC000000997075 570234518 /nfs/dbraw/zinc/23/45/18/570234518.db2.gz NBWOILULGHCIBN-UHFFFAOYSA-N -1 3 381.372 3.688 50 0 GHAAHM O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000012871845 570273278 /nfs/dbraw/zinc/27/32/78/570273278.db2.gz ZNJWWGHNYVLQFZ-UHFFFAOYSA-N -1 3 389.390 3.728 50 0 GHAAHM O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000012871845 570273279 /nfs/dbraw/zinc/27/32/79/570273279.db2.gz ZNJWWGHNYVLQFZ-UHFFFAOYSA-N -1 3 389.390 3.728 50 0 GHAAHM CCOC(=O)[C@]([O-])(c1ccc(NC(=O)c2ccc(C)cc2)cc1)C(F)(F)F ZINC000002187972 570278266 /nfs/dbraw/zinc/27/82/66/570278266.db2.gz RUGMRXQGWUHDGL-GOSISDBHSA-N -1 3 381.350 3.560 50 0 GHAAHM Cc1cc(-c2nnc(CN3CCC(C(=O)Nc4ccccc4[O-])CC3)o2)c(C)o1 ZINC000024831585 570394642 /nfs/dbraw/zinc/39/46/42/570394642.db2.gz VGXBHFNFSIDBLK-UHFFFAOYSA-N -1 3 396.447 3.503 50 0 GHAAHM COC(=O)C1([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCCCC1 ZINC000012987428 570407612 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CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1C ZINC000008714848 204284617 /nfs/dbraw/zinc/28/46/17/204284617.db2.gz HTRKOYBJNFVRKV-AAEUAGOBSA-N -1 3 376.316 3.705 50 0 GHAAHM Cc1noc(C)c1CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000009218134 204303257 /nfs/dbraw/zinc/30/32/57/204303257.db2.gz ZNKAHOWLVDKOIM-UHFFFAOYSA-N -1 3 399.472 3.582 50 0 GHAAHM COc1ccccc1-c1nc(NC(=O)Cc2csc(-c3ccccc3)n2)n[n-]1 ZINC000048361720 205121594 /nfs/dbraw/zinc/12/15/94/205121594.db2.gz JJVAVCBZASTANT-UHFFFAOYSA-N -1 3 391.456 3.785 50 0 GHAAHM CCn1c2ccc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)cc2sc1=O ZINC000064947107 205201551 /nfs/dbraw/zinc/20/15/51/205201551.db2.gz OMPORXKWVKHTMB-UHFFFAOYSA-N -1 3 376.503 3.809 50 0 GHAAHM CC(C)n1nccc1-c1csc(S(=O)(=O)[N-]Cc2cc(F)cc(F)c2)c1 ZINC000065112511 205210525 /nfs/dbraw/zinc/21/05/25/205210525.db2.gz RPKOIQRQVUIZTI-UHFFFAOYSA-N -1 3 397.472 3.949 50 0 GHAAHM CC(=O)N1CCC2(CC1)N=C(c1ccccc1[O-])C[C@@H](c1ccc(C)cc1C)N2 ZINC000065298613 205228306 /nfs/dbraw/zinc/22/83/06/205228306.db2.gz CXZIEHBPYVQEGT-NRFANRHFSA-N -1 3 391.515 3.871 50 0 biogenic GHAAHM COC(=O)C[C@H](c1cc(F)c(F)c(F)c1)c1oc2ccccc2c(=O)c1[O-] ZINC000253410656 206144882 /nfs/dbraw/zinc/14/48/82/206144882.db2.gz NOEWHGDUBAOLSD-LLVKDONJSA-N -1 3 378.302 3.611 50 0 GHAAHM O=C(N[C@H]1C[C@@H](c2cc(=O)[n-]c(C3CC3)n2)C1)c1cc(F)c(F)cc1Cl ZINC000253535552 206148719 /nfs/dbraw/zinc/14/87/19/206148719.db2.gz CBWZBYHICWFEBA-AOOOYVTPSA-N -1 3 379.794 3.667 50 0 GHAAHM Cc1nc(C(=O)[N-]c2ccc(F)c(F)c2F)nn1-c1ccc(OC(F)F)cc1 ZINC000261490639 206182927 /nfs/dbraw/zinc/18/29/27/206182927.db2.gz RMCCUBYTSKMHOS-UHFFFAOYSA-N -1 3 398.291 3.847 50 0 GHAAHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CC(c2cccc(Br)c2)=NO1 ZINC000001126263 570244388 /nfs/dbraw/zinc/24/43/88/570244388.db2.gz SYHWGTLLIIWVFX-HNNXBMFYSA-N -1 3 395.640 3.940 50 0 GHAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000022975924 570339612 /nfs/dbraw/zinc/33/96/12/570339612.db2.gz WXSPHQWIEZCQKZ-UHFFFAOYSA-N -1 3 397.434 3.702 50 0 GHAAHM O=C1C=C([O-])[C@@H](n2cncn2)[C@@H](c2ccccc2Oc2cccc(Cl)c2)C1 ZINC000100325457 570352325 /nfs/dbraw/zinc/35/23/25/570352325.db2.gz XDHIDACLRRTDAK-XLIONFOSSA-N -1 3 381.819 3.981 50 0 GHAAHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)c1cc2ccccc2o1 ZINC000575620600 570369736 /nfs/dbraw/zinc/36/97/36/570369736.db2.gz LGCSQWHZPYBWBL-GFCCVEGCSA-N -1 3 384.910 3.729 50 0 GHAAHM CN(Cc1ccc2c(c1)OCO2)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000023882741 570374791 /nfs/dbraw/zinc/37/47/91/570374791.db2.gz KOYAWTBWSIAVJW-UHFFFAOYSA-N -1 3 395.440 3.605 50 0 GHAAHM CC(C)c1ccc(OCC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1 ZINC000024774980 570393065 /nfs/dbraw/zinc/39/30/65/570393065.db2.gz ZUGCVGJVRSSSQO-UHFFFAOYSA-N -1 3 396.487 3.772 50 0 GHAAHM CSCc1nc(=O)c2c(C)c(C(=O)N[C@@H](C)c3ccccc3F)sc2[n-]1 ZINC000028958601 570466838 /nfs/dbraw/zinc/46/68/38/570466838.db2.gz AKDLFGCPEKQARW-JTQLQIEISA-N -1 3 391.493 3.786 50 0 GHAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)Nc1ccccc1-c1cccs1 ZINC000029122041 570468588 /nfs/dbraw/zinc/46/85/88/570468588.db2.gz BICPLCQXPHYRKF-UHFFFAOYSA-N -1 3 391.452 3.859 50 0 GHAAHM CC[C@@H](c1n[n-]c(=S)n1-c1cnn(Cc2ccccc2)c1)n1cc(Cl)cn1 ZINC000002808614 570519654 /nfs/dbraw/zinc/51/96/54/570519654.db2.gz ZQZVFWXVRMBHGK-INIZCTEOSA-N -1 3 399.911 3.650 50 0 GHAAHM CCCCCCn1c(=O)c([C@@H]2NCCc3c4ccccc4[nH]c32)c([O-])[nH]c1=S ZINC000017198153 570701965 /nfs/dbraw/zinc/70/19/65/570701965.db2.gz IIELFSNHXNFQIU-SFHVURJKSA-N -1 3 398.532 3.908 50 0 biogenic GHAAHM CCCCCCn1c([O-])c([C@@H]2NCCc3c4ccccc4[nH]c32)c(=O)[nH]c1=S ZINC000017198153 570701969 /nfs/dbraw/zinc/70/19/69/570701969.db2.gz IIELFSNHXNFQIU-SFHVURJKSA-N -1 3 398.532 3.908 50 0 biogenic GHAAHM O=C(NCCC(c1ccccc1)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000012798425 570717180 /nfs/dbraw/zinc/71/71/80/570717180.db2.gz JPAXAEDLYDMQSS-UHFFFAOYSA-N -1 3 383.455 3.819 50 0 GHAAHM O=C(NCCC(c1ccccc1)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000012798425 570717184 /nfs/dbraw/zinc/71/71/84/570717184.db2.gz JPAXAEDLYDMQSS-UHFFFAOYSA-N -1 3 383.455 3.819 50 0 GHAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccc(Cl)cc1)[C@@H]2c1ccco1 ZINC000104473009 570722477 /nfs/dbraw/zinc/72/24/77/570722477.db2.gz CWZHOIMVEOWUSX-GUDVDZBRSA-N -1 3 394.814 3.984 50 0 GHAAHM CCCc1nc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cs1 ZINC000032801563 570820283 /nfs/dbraw/zinc/82/02/83/570820283.db2.gz VWASMUHGJRZWPX-UHFFFAOYSA-N -1 3 383.502 3.810 50 0 GHAAHM Cc1ccc([O-])c(CN[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)n1 ZINC000103342434 570881588 /nfs/dbraw/zinc/88/15/88/570881588.db2.gz HJQMNWOIIJXWAB-KRWDZBQOSA-N -1 3 393.409 3.568 50 0 GHAAHM O=C(c1cc2c(s1)CCCCCC2)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000089809704 570915845 /nfs/dbraw/zinc/91/58/45/570915845.db2.gz FOUUJQFJWSYMNE-UHFFFAOYSA-N -1 3 398.528 3.711 50 0 GHAAHM Cc1c(C(=O)N(C)C)sc2[n-]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC000012730991 570975538 /nfs/dbraw/zinc/97/55/38/570975538.db2.gz CFSHVZCALTYILU-UHFFFAOYSA-N -1 3 387.530 3.904 50 0 GHAAHM Cc1cccc([O-])c1C(=O)N1CC2(CCOCC2)[C@H]1c1cnn(C(C)(C)C)c1 ZINC000888100457 842522356 /nfs/dbraw/zinc/52/23/56/842522356.db2.gz PJCMWRLSLYNMMX-LJQANCHMSA-N -1 3 383.492 3.646 50 0 GHAAHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1cccs1 ZINC000038629182 856218410 /nfs/dbraw/zinc/21/84/10/856218410.db2.gz QYARIOIYWQZOBC-LBPRGKRZSA-N -1 3 379.334 3.636 50 0 GHAAHM COC(=O)[C@@]([O-])(c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C(F)(F)F ZINC000002274925 856360170 /nfs/dbraw/zinc/36/01/70/856360170.db2.gz JWLYLUUXDXGQCY-INIZCTEOSA-N -1 3 387.741 3.515 50 0 GHAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3)cc1C ZINC000009168805 856926149 /nfs/dbraw/zinc/92/61/49/856926149.db2.gz WJERMEUQJXIMNV-UHFFFAOYSA-N -1 3 388.489 3.770 50 0 GHAAHM O=C1C[C@@H](c2ccccc2C(F)(F)F)c2c(=O)[n-]c(N3CCCCC3)nc2N1 ZINC000585655797 857175155 /nfs/dbraw/zinc/17/51/55/857175155.db2.gz OCVGESDUOLWYPN-LBPRGKRZSA-N -1 3 392.381 3.665 50 0 GHAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)CS[C@H]2c1ccccc1Br ZINC000095476369 860599289 /nfs/dbraw/zinc/59/92/89/860599289.db2.gz PECYJAQMJFMRBW-ZDUSSCGKSA-N -1 3 382.283 3.944 50 0 GHAAHM Cc1ccc(C(=O)NCCC(=O)OCc2cc3ccccc3nc2Cl)c([O-])c1 ZINC000095952847 860716199 /nfs/dbraw/zinc/71/61/99/860716199.db2.gz SXOMERQXINEZNE-UHFFFAOYSA-N -1 3 398.846 3.766 50 0 GHAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccncc2)c(C)c1 ZINC000245325566 231040601 /nfs/dbraw/zinc/04/06/01/231040601.db2.gz FVAZHGFOSSHRCS-YPAWHYETSA-N -1 3 399.450 3.750 50 0 GHAAHM CCCCc1ccc2nc([N-]C(=O)c3nc4nc(C)cc(C)n4n3)sc2c1 ZINC000005978300 204159625 /nfs/dbraw/zinc/15/96/25/204159625.db2.gz RBFYKMLIBDEBBK-UHFFFAOYSA-N -1 3 380.477 3.946 50 0 GHAAHM Cc1ccc(OCc2ccc(C(=O)N3NC=C[C@@]3([O-])C(F)(F)F)o2)cc1C ZINC000006923847 204224993 /nfs/dbraw/zinc/22/49/93/204224993.db2.gz AWMJODNKESEFPV-QGZVFWFLSA-N -1 3 382.338 3.558 50 0 GHAAHM O=c1[n-]nc(SCCOc2ccccc2Cl)n1CCc1ccccc1 ZINC000007345885 204240198 /nfs/dbraw/zinc/24/01/98/204240198.db2.gz JVTGHQZQBJQABT-UHFFFAOYSA-N -1 3 375.881 3.639 50 0 GHAAHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1C ZINC000008714849 204285054 /nfs/dbraw/zinc/28/50/54/204285054.db2.gz HTRKOYBJNFVRKV-DGCLKSJQSA-N -1 3 376.316 3.705 50 0 GHAAHM Cc1cc(S[C@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)nc(C(C)C)n1 ZINC000008775254 204289798 /nfs/dbraw/zinc/28/97/98/204289798.db2.gz RNGDKAOOFGAEEX-CYBMUJFWSA-N -1 3 393.534 3.643 50 0 GHAAHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)N1CCCCC1 ZINC000008181101 204264018 /nfs/dbraw/zinc/26/40/18/204264018.db2.gz PVAKZHUXYIWJMS-UHFFFAOYSA-N -1 3 378.881 3.767 50 0 GHAAHM CC(=O)Nc1ccc(C(=O)CSc2n[n-]c(COc3ccc(C)cc3)n2)cc1 ZINC000008550298 204279570 /nfs/dbraw/zinc/27/95/70/204279570.db2.gz PTBYZQWBKPRSPQ-UHFFFAOYSA-N -1 3 396.472 3.626 50 0 GHAAHM CS(=O)(=O)[N-]c1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000009356059 204308948 /nfs/dbraw/zinc/30/89/48/204308948.db2.gz QPXCUMDVXYFNTF-UHFFFAOYSA-N -1 3 380.469 3.578 50 0 GHAAHM O=c1nc(CNc2ccc3c(c2)OCCO3)[n-]c2scc(-c3ccco3)c21 ZINC000009643045 204318168 /nfs/dbraw/zinc/31/81/68/204318168.db2.gz VESYAKZKTHECBD-UHFFFAOYSA-N -1 3 381.413 3.628 50 0 GHAAHM CSCc1nc(=O)c2c(C)c(C(=O)NCC3(c4ccccc4)CC3)sc2[n-]1 ZINC000011749731 204351002 /nfs/dbraw/zinc/35/10/02/204351002.db2.gz QZJYDFXQCLCEOD-UHFFFAOYSA-N -1 3 399.541 3.618 50 0 GHAAHM CCCSc1nnc([N-]C(=O)c2nnn(-c3ccc(C)c(C)c3)c2C)s1 ZINC000012274122 204387522 /nfs/dbraw/zinc/38/75/22/204387522.db2.gz VNSVZMMLQWXTNO-UHFFFAOYSA-N -1 3 388.522 3.798 50 0 GHAAHM Cc1ccc(Cn2cc(-c3noc(C(=O)[N-]c4ccc(Cl)cc4)n3)nn2)cc1 ZINC000049410306 205126579 /nfs/dbraw/zinc/12/65/79/205126579.db2.gz OHOZYDMECPCOCE-UHFFFAOYSA-N -1 3 394.822 3.591 50 0 GHAAHM O=c1nc(Cc2nccn2Cc2ccccc2)[n-]c2sc3c(c21)CCCS3 ZINC000053844596 205138490 /nfs/dbraw/zinc/13/84/90/205138490.db2.gz NRUHUVUDDSNSQR-UHFFFAOYSA-N -1 3 394.525 3.859 50 0 GHAAHM COC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2-c2ccccc2)ccc1[O-] ZINC000063848565 205187068 /nfs/dbraw/zinc/18/70/68/205187068.db2.gz BFRUVBFDGYRHDN-UHFFFAOYSA-N -1 3 397.452 3.671 50 0 GHAAHM O=S(=O)([N-]Cc1ccccc1Cl)c1ccc(-c2nnc(C3CC3)o2)s1 ZINC000064920151 205200940 /nfs/dbraw/zinc/20/09/40/205200940.db2.gz WAPJEHASDDXUFJ-UHFFFAOYSA-N -1 3 395.893 3.807 50 0 GHAAHM Cc1nn(C)cc1[C@@H]1SCC(=O)Nc2c1c(=O)[n-]n2C1CCCCCC1 ZINC000079485246 205384333 /nfs/dbraw/zinc/38/43/33/205384333.db2.gz DCJFBYASZCNDHK-INIZCTEOSA-N -1 3 375.498 3.950 50 0 GHAAHM COc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCCCC2)cc1O ZINC000095480553 205467569 /nfs/dbraw/zinc/46/75/69/205467569.db2.gz CXILLNLOENIVOB-QGZVFWFLSA-N -1 3 389.477 3.820 50 0 GHAAHM Cc1[nH]c(=S)[n-]c(=O)c1CCC(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000014054319 221297314 /nfs/dbraw/zinc/29/73/14/221297314.db2.gz RTURKULTPCUTIT-UHFFFAOYSA-N -1 3 386.304 3.639 50 0 GHAAHM Cc1ccc2nccc(N3CCC(C(=O)[O-])(n4cnc5ccccc54)CC3)c2c1 ZINC000072428534 136170124 /nfs/dbraw/zinc/17/01/24/136170124.db2.gz NEWHANXNAFPPSI-UHFFFAOYSA-N -1 3 386.455 3.973 50 0 GHAAHM Cc1nnc([N-]C(=O)c2ccc([C@@H]3CCCN3C(=O)c3ccco3)s2)s1 ZINC000020910606 570284230 /nfs/dbraw/zinc/28/42/30/570284230.db2.gz WTVSKQADTMEXNK-NSHDSACASA-N -1 3 388.474 3.731 50 0 GHAAHM Cc1nn(-c2ccccc2)c(C)c1C[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000012928341 570298595 /nfs/dbraw/zinc/29/85/95/570298595.db2.gz ODTUCHULNFMFEX-UHFFFAOYSA-N -1 3 393.871 3.760 50 0 GHAAHM CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc3nc(C)cc(C)c3c(=O)[n-]2)cc1 ZINC000024754740 570391630 /nfs/dbraw/zinc/39/16/30/570391630.db2.gz FCMOKMWWGQEEEN-ZDUSSCGKSA-N -1 3 396.472 3.669 50 0 GHAAHM O=S(=O)([N-]Cc1ccc(F)cc1)c1cc(-c2noc(C3CCC3)n2)cs1 ZINC000035557229 570396413 /nfs/dbraw/zinc/39/64/13/570396413.db2.gz CEJUYYACMNDXGO-UHFFFAOYSA-N -1 3 393.465 3.683 50 0 GHAAHM O=C(/C=C/c1ccc(Cl)cc1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000016112023 570402853 /nfs/dbraw/zinc/40/28/53/570402853.db2.gz XQPMABCRSNCOSU-JXMROGBWSA-N -1 3 384.863 3.936 50 0 GHAAHM COc1cc([C@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)ccc1OC(C)C ZINC000002766057 570514941 /nfs/dbraw/zinc/51/49/41/570514941.db2.gz XSQRHECHQUSESB-FXAWDEMLSA-N -1 3 380.444 3.652 50 0 biogenic GHAAHM O=S(=O)([N-]CC[C@@H](CCO)c1ccccc1)c1cc(Cl)ccc1Cl ZINC000206627818 570627388 /nfs/dbraw/zinc/62/73/88/570627388.db2.gz WCJAXCAYASWYNI-AWEZNQCLSA-N -1 3 388.316 3.828 50 0 GHAAHM CCn1c(SCc2nc(-c3cccc(C)c3)oc2C)nc2c1nc[n-]c2=O ZINC000012413718 570656905 /nfs/dbraw/zinc/65/69/05/570656905.db2.gz JDLXWYZXYPEFMD-UHFFFAOYSA-N -1 3 381.461 3.704 50 0 biogenic,in-vitro GHAAHM CCCCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000017442777 570705205 /nfs/dbraw/zinc/70/52/05/570705205.db2.gz SCWYIXCJLPTGCO-UHFFFAOYSA-N -1 3 378.469 3.889 50 0 GHAAHM O=C(NCc1ccc([O-])c(F)c1)N1CCC(CN2CCc3ccccc32)CC1 ZINC000163677113 570725090 /nfs/dbraw/zinc/72/50/90/570725090.db2.gz FGELQLYSYCCROF-UHFFFAOYSA-N -1 3 383.467 3.516 50 0 GHAAHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H](c2cccs2)C2CCCC2)cc1 ZINC000032746268 570793060 /nfs/dbraw/zinc/79/30/60/570793060.db2.gz ZUFHZDQYNRXMCF-KRWDZBQOSA-N -1 3 378.519 3.781 50 0 GHAAHM CSc1nc(N2[C@H](O)C(=O)C(c3ccccc3)[C@H]2c2ccc(C)cc2)n[n-]1 ZINC000101353766 570819800 /nfs/dbraw/zinc/81/98/00/570819800.db2.gz UIHODZHMOFGMHW-SJLPKXTDSA-N -1 3 380.473 3.684 50 0 GHAAHM O=C1[C@H]2C(c3ccccc3Cl)=NOC2=C([O-])N1c1cc(Cl)ccc1Cl ZINC000101342498 570820590 /nfs/dbraw/zinc/82/05/90/570820590.db2.gz VCGITXLYQZELCE-ZFWWWQNUSA-N -1 3 395.629 3.939 50 0 GHAAHM O=C1[C@H]2C(c3ccc(Cl)cc3Cl)=NOC2=C([O-])N1c1ccc(Cl)cc1 ZINC000103514965 570886090 /nfs/dbraw/zinc/88/60/90/570886090.db2.gz KKIHAPRDPGVXAB-DZGCQCFKSA-N -1 3 395.629 3.939 50 0 GHAAHM COc1cc(Nc2ccc([N-]S(=O)(=O)c3cccc(C)c3)cc2)nc(C)n1 ZINC000012226083 570968249 /nfs/dbraw/zinc/96/82/49/570968249.db2.gz WDCJEVJKSUVURC-UHFFFAOYSA-N -1 3 384.461 3.646 50 0 GHAAHM Cc1ccc(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCCC2)c([O-])c1 ZINC000012777020 571030609 /nfs/dbraw/zinc/03/06/09/571030609.db2.gz NSMIWYSKWMGLQM-UHFFFAOYSA-N -1 3 377.444 3.779 50 0 GHAAHM COC1(CNC(=O)c2cc([O-])cc(Br)c2)CCC(C(F)F)CC1 ZINC000888100446 842522768 /nfs/dbraw/zinc/52/27/68/842522768.db2.gz OIEKAJMKOGTAPB-UHFFFAOYSA-N -1 3 392.240 3.725 50 0 GHAAHM CCOC(=O)[C@@]([O-])(c1ccc(N(C)C(=O)Nc2ccccc2)cc1)C(F)(F)F ZINC000002274853 856359843 /nfs/dbraw/zinc/35/98/43/856359843.db2.gz RGFLFORNONRZDQ-SFHVURJKSA-N -1 3 396.365 3.668 50 0 GHAAHM O=C(CSc1cc(Cl)ccc1Cl)Nc1cccc(-c2nnn[n-]2)c1 ZINC000070731265 857262769 /nfs/dbraw/zinc/26/27/69/857262769.db2.gz OKLGJIPWJHQVLW-UHFFFAOYSA-N -1 3 380.260 3.904 50 0 GHAAHM O=C(CSc1cc(Cl)ccc1Cl)Nc1cccc(-c2nn[n-]n2)c1 ZINC000070731265 857262775 /nfs/dbraw/zinc/26/27/75/857262775.db2.gz OKLGJIPWJHQVLW-UHFFFAOYSA-N -1 3 380.260 3.904 50 0 GHAAHM COc1cccc(Cc2c(C)nc(CN(CC(C)C)C(=O)CC(C)C)[n-]c2=O)c1 ZINC000096317955 860870510 /nfs/dbraw/zinc/87/05/10/860870510.db2.gz XVVNNBIQZMQFKQ-UHFFFAOYSA-N -1 3 399.535 3.708 50 0 GHAAHM CS(=O)(=O)[N-]c1ccccc1NC(=O)/C=C\c1cccc(C(F)(F)F)c1 ZINC000096401505 860922532 /nfs/dbraw/zinc/92/25/32/860922532.db2.gz DHKJTZZIZWPXCO-KTKRTIGZSA-N -1 3 384.379 3.729 50 0 GHAAHM Cc1nccn1-c1ccc(CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)cc1F ZINC000646756347 928261989 /nfs/dbraw/zinc/26/19/89/928261989.db2.gz NBYGNRMTVYPOBB-UHFFFAOYSA-N -1 3 393.340 3.974 50 0 GHAAHM COc1ccc(-c2nsc([N-]C(=O)c3cccnc3OCC(F)F)n2)cc1 ZINC000123963664 231026299 /nfs/dbraw/zinc/02/62/99/231026299.db2.gz ABRPCGFUBSOMJC-UHFFFAOYSA-N -1 3 392.387 3.505 50 0 GHAAHM COc1ccc(-c2nsc([N-]C(=O)c3ccncc3Br)n2)cc1 ZINC000153900394 231026806 /nfs/dbraw/zinc/02/68/06/231026806.db2.gz GANPCQZEHGCQCI-UHFFFAOYSA-N -1 3 391.250 3.624 50 0 GHAAHM COc1ccc(-c2cccc([N-]S(=O)(=O)c3cc(C)c(OC)cc3C)c2)nn1 ZINC000004320243 204038364 /nfs/dbraw/zinc/03/83/64/204038364.db2.gz BKAXGNXCEHZIFI-UHFFFAOYSA-N -1 3 399.472 3.578 50 0 GHAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1cccs1 ZINC000004163302 204030206 /nfs/dbraw/zinc/03/02/06/204030206.db2.gz CTKZRGNTAQNXDM-GUDVDZBRSA-N -1 3 376.437 3.799 50 0 GHAAHM Cc1ccc(S(=O)(=O)N2NC(C3CCCCC3)=C[C@]2([O-])C(F)(F)F)cc1 ZINC000004199222 204033491 /nfs/dbraw/zinc/03/34/91/204033491.db2.gz ISGVFDATXQRGAS-INIZCTEOSA-N -1 3 390.427 3.577 50 0 GHAAHM CC(C)NC(=O)N([O-])[C@@H]1N(CCc2ccccc2F)C(=S)SC1(C)C ZINC000004732549 204069571 /nfs/dbraw/zinc/06/95/71/204069571.db2.gz MYIASNOLAQUDRU-AWEZNQCLSA-N -1 3 385.530 3.616 50 0 GHAAHM Cc1ccc(NC(=O)[C@H]([N-]S(=O)(=O)c2cccs2)C(C)C)cc1Cl ZINC000004879965 204085927 /nfs/dbraw/zinc/08/59/27/204085927.db2.gz GAHQBMJTGPSAGB-OAHLLOKOSA-N -1 3 386.926 3.652 50 0 GHAAHM COCc1ccc(C(=O)OCC(=O)[N-]c2cc(-c3ccc(C)cc3)no2)cc1 ZINC000005262555 204121700 /nfs/dbraw/zinc/12/17/00/204121700.db2.gz WWZQQDUHNJFJOF-UHFFFAOYSA-N -1 3 380.400 3.592 50 0 GHAAHM CCCC[C@@H](CC)CNC(=O)C(=C([O-])c1ccc(F)cc1)n1ccccc1=O ZINC000006652416 204188802 /nfs/dbraw/zinc/18/88/02/204188802.db2.gz UQOBWMUJNSVGOG-OXQOHEQNSA-N -1 3 386.467 3.744 50 0 GHAAHM CC1CCC2(CC1)NC(=O)N([N-]C(=O)c1cccc(Oc3ccccc3)c1)C2=O ZINC000008278613 204269165 /nfs/dbraw/zinc/26/91/65/204269165.db2.gz DXFHYPVPBFQWAE-UHFFFAOYSA-N -1 3 393.443 3.624 50 0 GHAAHM COc1ccc(Cc2nnc(SCc3noc(-c4ccccc4[O-])n3)o2)cc1 ZINC000048302486 205117925 /nfs/dbraw/zinc/11/79/25/205117925.db2.gz LSBPYIDSXFCXDJ-UHFFFAOYSA-N -1 3 396.428 3.717 50 0 GHAAHM O=C(c1csc(S(=O)(=O)[N-]Cc2ccccc2Cl)c1)N1CCCCC1 ZINC000045961595 205100663 /nfs/dbraw/zinc/10/06/63/205100663.db2.gz NVYZJZBDZGHQIG-UHFFFAOYSA-N -1 3 398.937 3.506 50 0 GHAAHM Cn1cccc1[C@@H]1CCCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000057286280 205155455 /nfs/dbraw/zinc/15/54/55/205155455.db2.gz CWFNGFSATGJQST-HNNXBMFYSA-N -1 3 380.473 3.920 50 0 GHAAHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1)c1cccc2ccccc21 ZINC000058024569 205163145 /nfs/dbraw/zinc/16/31/45/205163145.db2.gz AEVXHJMDGQOMML-FQEVSTJZSA-N -1 3 383.469 3.731 50 0 GHAAHM CCc1csc(-c2ccc(S(=O)(=O)[N-]CCN3CCCCCC3)s2)n1 ZINC000064755853 205193360 /nfs/dbraw/zinc/19/33/60/205193360.db2.gz BBQDFGXSIBQYRF-UHFFFAOYSA-N -1 3 399.607 3.588 50 0 GHAAHM Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@H](c2cc(=O)[n-]cn2)C1 ZINC000071711919 205287414 /nfs/dbraw/zinc/28/74/14/205287414.db2.gz CADCYHBOCDZKJW-HNNXBMFYSA-N -1 3 384.867 3.766 50 0 GHAAHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CCC4)[nH]c3c2)cc1 ZINC000079047661 205379227 /nfs/dbraw/zinc/37/92/27/205379227.db2.gz PHBGBWXRXABOFV-UHFFFAOYSA-N -1 3 399.472 3.808 50 0 GHAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc3c4c(c2)CCC(=O)N4CCC3)c(C)c1 ZINC000005154087 136194588 /nfs/dbraw/zinc/19/45/88/136194588.db2.gz OMLYCZUELYRJLV-UHFFFAOYSA-N -1 3 384.501 3.638 50 0 GHAAHM CCCn1nccc1-c1csc(S(=O)(=O)[N-]Cc2ccccc2F)c1 ZINC000065112600 222101644 /nfs/dbraw/zinc/10/16/44/222101644.db2.gz RPPNAWGSKJWYMA-UHFFFAOYSA-N -1 3 379.482 3.639 50 0 GHAAHM COc1cccc(CSc2nc3c(nc[n-]c3=O)n2-c2ccc(C)cc2)c1 ZINC000012462160 560212126 /nfs/dbraw/zinc/21/21/26/560212126.db2.gz VXPFXXTZSHHVOO-UHFFFAOYSA-N -1 3 378.457 3.718 50 0 biogenic,in-vitro GHAAHM COc1ccc(CSc2nc3c(nc[n-]c3=O)n2-c2ccc(C)cc2)cc1 ZINC000012462156 560212216 /nfs/dbraw/zinc/21/22/16/560212216.db2.gz XZSVGKAEAMDRKL-UHFFFAOYSA-N -1 3 378.457 3.718 50 0 biogenic,in-vitro GHAAHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)c1cc2ccccc2o1 ZINC000575620601 570369846 /nfs/dbraw/zinc/36/98/46/570369846.db2.gz LGCSQWHZPYBWBL-LBPRGKRZSA-N -1 3 384.910 3.729 50 0 GHAAHM Cc1ccc(=O)n(C(C(=O)N[C@@H](C)c2ccccc2)=C([O-])c2ccc(F)cc2)c1 ZINC000000819549 570373095 /nfs/dbraw/zinc/37/30/95/570373095.db2.gz OIFOIKKGNJJSNA-KKSFZXQISA-N -1 3 392.430 3.597 50 0 GHAAHM CC(C)(C)c1cc([N-]C(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)on1 ZINC000032971646 570557300 /nfs/dbraw/zinc/55/73/00/570557300.db2.gz CTSVNUZDZUBKKS-MRXNPFEDSA-N -1 3 393.443 3.771 50 0 GHAAHM Cc1nc(N2CCCC2)ncc1-c1cc(=O)[n-]c(Nc2ccccc2Cl)n1 ZINC000036235587 570561191 /nfs/dbraw/zinc/56/11/91/570561191.db2.gz OHJLEUZUSRFQPF-UHFFFAOYSA-N -1 3 382.855 3.533 50 0 GHAAHM CCOC(=O)[C@@H]1CCc2sc([N-]C(=O)c3ncc(-c4ccccc4)o3)nc21 ZINC000206586636 570563679 /nfs/dbraw/zinc/56/36/79/570563679.db2.gz RLCXGOWBEAPHTF-GFCCVEGCSA-N -1 3 383.429 3.643 50 0 GHAAHM [O-][C@]1(C(F)(F)F)C=CNN1c1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000006829227 570626394 /nfs/dbraw/zinc/62/63/94/570626394.db2.gz QSVAKWNQEWSJPV-NSHDSACASA-N -1 3 382.289 3.671 50 0 GHAAHM COC(=O)c1ccc(NC(=O)c2cnc3c(cccc3C(F)(F)F)c2[O-])cc1 ZINC000012421844 570672812 /nfs/dbraw/zinc/67/28/12/570672812.db2.gz NVQSOGAEQVJXAO-UHFFFAOYSA-N -1 3 390.317 3.998 50 0 GHAAHM Cc1ccc2[nH]c(S[C@H](C)C(=O)c3ccc([N-]S(C)(=O)=O)cc3)nc2c1 ZINC000006975474 570725232 /nfs/dbraw/zinc/72/52/32/570725232.db2.gz XWQWJNRMPQZLAA-GFCCVEGCSA-N -1 3 389.502 3.606 50 0 GHAAHM CCCOc1c(Br)cc(C=C2SC(=O)[N-]C2=O)cc1OCC ZINC000013843846 570794382 /nfs/dbraw/zinc/79/43/82/570794382.db2.gz KKLMZTJDBVJOGH-WQLSENKSSA-N -1 3 386.267 3.961 50 0 GHAAHM Cc1ccccc1NCc1cc(=O)n2nc(NCc3ccccc3Cl)[n-]c2n1 ZINC000101796268 570834251 /nfs/dbraw/zinc/83/42/51/570834251.db2.gz GDYYEJOZXSPQTH-UHFFFAOYSA-N -1 3 394.866 3.604 50 0 GHAAHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)cc1 ZINC000012605527 570888835 /nfs/dbraw/zinc/88/88/35/570888835.db2.gz PTVJQINYOMGTNQ-UHFFFAOYSA-N -1 3 388.489 3.573 50 0 GHAAHM O=C(CN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O)Nc1ccccc1[O-] ZINC000001238368 570947806 /nfs/dbraw/zinc/94/78/06/570947806.db2.gz ORAFPFXVNNVFAP-YIERNNEGSA-N -1 3 380.425 3.623 50 0 GHAAHM Cc1nc(C)c(CC(=O)N[C@@H](c2ccccc2)c2cccc3ccccc32)c(=O)[n-]1 ZINC000111001421 570960517 /nfs/dbraw/zinc/96/05/17/570960517.db2.gz KZFATYOICPCBAP-DEOSSOPVSA-N -1 3 397.478 3.988 50 0 GHAAHM O=S(=O)([N-]c1ccc(F)c(F)c1F)c1ccc(Br)c(F)c1 ZINC000095067873 571049678 /nfs/dbraw/zinc/04/96/78/571049678.db2.gz LEHRYLBRMNKBSK-UHFFFAOYSA-N -1 3 384.148 3.806 50 0 GHAAHM COc1cc2c(cc1CN1CCC[C@H](c3cccc(C(=O)[O-])c3)C1)OCCO2 ZINC000095361221 571055051 /nfs/dbraw/zinc/05/50/51/571055051.db2.gz SDYSEDLQPMNHHI-KRWDZBQOSA-N -1 3 383.444 3.544 50 0 GHAAHM COc1cc2c(cc1CN1CCC[C@@H](c3cccc(C(=O)[O-])c3)C1)OCCO2 ZINC000095361222 571055500 /nfs/dbraw/zinc/05/55/00/571055500.db2.gz SDYSEDLQPMNHHI-QGZVFWFLSA-N -1 3 383.444 3.544 50 0 GHAAHM COc1cc(OC)c(CN2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)c(OC)c1 ZINC000095370693 571060791 /nfs/dbraw/zinc/06/07/91/571060791.db2.gz WMSNILPBFNDRSL-QGZVFWFLSA-N -1 3 385.460 3.790 50 0 GHAAHM Cc1cc2c(cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1)OCCN2C ZINC000008588803 856276383 /nfs/dbraw/zinc/27/63/83/856276383.db2.gz ATGRBZTYIHFCIU-UHFFFAOYSA-N -1 3 386.395 3.643 50 0 GHAAHM COc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCCC2)c(OC)c1 ZINC000095477080 860599506 /nfs/dbraw/zinc/59/95/06/860599506.db2.gz BPSCGQBDYSPNIO-QGZVFWFLSA-N -1 3 389.477 3.733 50 0 GHAAHM COc1cc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCCCC2)ccc1O ZINC000095474569 913492700 /nfs/dbraw/zinc/49/27/00/913492700.db2.gz XIGQCFRZEZRGGX-KRWDZBQOSA-N -1 3 389.477 3.820 50 0 GHAAHM O=S(=O)([N-]Cc1nc(-c2ccccc2)no1)c1cc(Cl)ccc1Cl ZINC000004837839 204081094 /nfs/dbraw/zinc/08/10/94/204081094.db2.gz RPSBZDZPXAUCHH-UHFFFAOYSA-N -1 3 384.244 3.522 50 0 GHAAHM COc1ccc2c(CNCc3ccc(OC(C)C)cc3)c(C(=O)[O-])n(C)c2c1 ZINC000006795125 204207553 /nfs/dbraw/zinc/20/75/53/204207553.db2.gz BEZNHJPQQOASIZ-UHFFFAOYSA-N -1 3 382.460 3.962 50 0 GHAAHM COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)[n-]1 ZINC000006506300 204181402 /nfs/dbraw/zinc/18/14/02/204181402.db2.gz SLZDURKAOBOSIV-JTQLQIEISA-N -1 3 389.864 3.704 50 0 GHAAHM Cc1cc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)ccc1Br ZINC000006887432 204220457 /nfs/dbraw/zinc/22/04/57/204220457.db2.gz KLZWILFAVFQHTD-UHFFFAOYSA-N -1 3 392.278 3.744 50 0 GHAAHM COc1cccc(-c2nc3cc(=O)[n-]n3c(SCc3ccc(C)cc3)n2)c1 ZINC000006915777 204224048 /nfs/dbraw/zinc/22/40/48/204224048.db2.gz YZWXBLFIFCQXTM-UHFFFAOYSA-N -1 3 378.457 3.694 50 0 GHAAHM O=S(=O)([N-]c1ccccc1Cl)c1cccc(NC(=S)NC2CC2)c1 ZINC000007526300 204242221 /nfs/dbraw/zinc/24/22/21/204242221.db2.gz XDRMJXFDBFWOGN-UHFFFAOYSA-N -1 3 381.910 3.590 50 0 GHAAHM O=S(=O)([N-]Cc1cnn(-c2ccccc2)c1)c1cc(Cl)ccc1Cl ZINC000008986998 204295315 /nfs/dbraw/zinc/29/53/15/204295315.db2.gz DEWMBNUIWBMDGU-UHFFFAOYSA-N -1 3 382.272 3.658 50 0 GHAAHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](C)c1ccccc1 ZINC000009646553 204318278 /nfs/dbraw/zinc/31/82/78/204318278.db2.gz MOHRRKMUFYNSCJ-LBPRGKRZSA-N -1 3 375.471 3.727 50 0 GHAAHM O=C([N-]c1nncs1)c1cccnc1Oc1ccc(F)cc1Br ZINC000040144143 205058964 /nfs/dbraw/zinc/05/89/64/205058964.db2.gz ZUBINHCOJUBEDP-UHFFFAOYSA-N -1 3 395.213 3.879 50 0 GHAAHM CCN(CC)C(=O)Cc1nc(=O)c2c3c(sc2[n-]1)C[C@H](c1ccccc1)CC3 ZINC000055491285 205149752 /nfs/dbraw/zinc/14/97/52/205149752.db2.gz GACDLZYGCNNZLV-OAHLLOKOSA-N -1 3 395.528 3.668 50 0 GHAAHM O=S(=O)([N-]Cc1ccc(F)cc1)c1ccc(-c2nnc(C3CCC3)o2)s1 ZINC000064920561 205201050 /nfs/dbraw/zinc/20/10/50/205201050.db2.gz QGZKMAXUUSUGAE-UHFFFAOYSA-N -1 3 393.465 3.683 50 0 GHAAHM Cc1cc(C)c([N-]S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)cc(C)c2C)c(C)c1 ZINC000064983808 205204800 /nfs/dbraw/zinc/20/48/00/205204800.db2.gz ZGBCEMYMQBPRMK-UHFFFAOYSA-N -1 3 397.500 3.780 50 0 GHAAHM O=S(=O)([N-]Cc1cccc(Br)c1)c1ccc(-c2ccno2)s1 ZINC000065031197 205207572 /nfs/dbraw/zinc/20/75/72/205207572.db2.gz RQDRRNXOGCUGRJ-UHFFFAOYSA-N -1 3 399.291 3.644 50 0 GHAAHM COCC1CCN(Cc2cccc(-c3nc(-c4ccncc4)cc(=O)[n-]3)c2)CC1 ZINC000067834403 205262092 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3.645 50 0 GHAAHM CCc1ccccc1-n1nnc(-c2nsc([N-]C(=O)c3ccco3)n2)c1C ZINC000009941257 857380652 /nfs/dbraw/zinc/38/06/52/857380652.db2.gz OQNBKLKEEZQGQN-UHFFFAOYSA-N -1 3 380.433 3.502 50 0 GHAAHM CO[C@@H](C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@@H]1CCOC1 ZINC000612755743 859888571 /nfs/dbraw/zinc/88/85/71/859888571.db2.gz MEQQBXBSRYPAJL-KZULUSFZSA-N -1 3 384.457 3.659 50 0 GHAAHM CCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)C(C)(C)CO3)cc1 ZINC000009173289 206306417 /nfs/dbraw/zinc/30/64/17/206306417.db2.gz WGKMMVJSIQDTRS-UHFFFAOYSA-N -1 3 388.489 3.797 50 0 GHAAHM CCOc1ccc(NC(=O)c2nnsc2[N-]C(=O)Nc2ccccc2)cc1 ZINC000001417011 206379200 /nfs/dbraw/zinc/37/92/00/206379200.db2.gz MWCCOPILSOPHDZ-UHFFFAOYSA-N -1 3 383.433 3.833 50 0 GHAAHM O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)c2c(=O)[n-]c(-c3ccccc3)nc2N1 ZINC000009168715 206775736 /nfs/dbraw/zinc/77/57/36/206775736.db2.gz ABYZDLSQCRFQMQ-AWEZNQCLSA-N -1 3 385.345 3.930 50 0 GHAAHM S=c1[n-]nc(CN2CCN(c3ccccc3Cl)CC2)n1-c1ccccc1 ZINC000016667746 207075252 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CCOc1cc(C=CC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc(Cl)c1OC ZINC000096568744 208318507 /nfs/dbraw/zinc/31/85/07/208318507.db2.gz GWJGOCOBNHOTAF-FPLPWBNLSA-N -1 3 399.838 3.579 50 0 GHAAHM CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000011564442 570230203 /nfs/dbraw/zinc/23/02/03/570230203.db2.gz RZZCGLUWCOTMHQ-UHFFFAOYSA-N -1 3 387.288 3.637 50 0 GHAAHM O=C(Nc1cccc(NC(=O)c2cc3c(cc2[O-])OCO3)c1)c1cccs1 ZINC000048280177 570231231 /nfs/dbraw/zinc/23/12/31/570231231.db2.gz LCGLBKIRTWYTMQ-UHFFFAOYSA-N -1 3 382.397 3.687 50 0 GHAAHM CCOC(=O)c1c([N-]C(=O)COc2ccc(Cl)c(C)c2)oc(C)c1C(C)=O ZINC000006085132 570239464 /nfs/dbraw/zinc/23/94/64/570239464.db2.gz XBIMBEWYTUQULD-UHFFFAOYSA-N -1 3 393.823 3.947 50 0 GHAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(c2nc(-c3ccco3)cc(C(F)(F)F)n2)N1 ZINC000006263568 570352666 /nfs/dbraw/zinc/35/26/66/570352666.db2.gz DANMUFRXLAMPGM-GFCCVEGCSA-N -1 3 380.248 3.592 50 0 GHAAHM COc1ccc(C=C(NC(=O)c2ccc(C)cc2)c2n[nH]c(=S)[n-]2)cc1OC ZINC000004892036 570358083 /nfs/dbraw/zinc/35/80/83/570358083.db2.gz ISBNNIOVOLLRKG-GDNBJRDFSA-N -1 3 396.472 3.721 50 0 GHAAHM C[C@H](Sc1nnc(N)s1)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000008216744 570363881 /nfs/dbraw/zinc/36/38/81/570363881.db2.gz ITOLIOFXYVRRJH-QMMMGPOBSA-N -1 3 387.515 3.939 50 0 GHAAHM O=S(=O)([N-]Cc1ccc(Cn2cccn2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000013024265 570419344 /nfs/dbraw/zinc/41/93/44/570419344.db2.gz NOFCVDNSNCXQRZ-UHFFFAOYSA-N -1 3 396.299 3.717 50 0 GHAAHM CCOc1ccc(-c2cccc([N-]S(=O)(=O)c3ccc(C)cc3C)c2)nn1 ZINC000005204269 570506078 /nfs/dbraw/zinc/50/60/78/570506078.db2.gz FWEQOONOLHKRQK-UHFFFAOYSA-N -1 3 383.473 3.960 50 0 GHAAHM CCCC[C@H](CC)CNC(=O)C(=C([O-])c1ccc(F)cc1)n1ccccc1=O ZINC000006652698 570519336 /nfs/dbraw/zinc/51/93/36/570519336.db2.gz UQOBWMUJNSVGOG-OXJNMPFZSA-N -1 3 386.467 3.744 50 0 GHAAHM Cc1nn(Cc2ccccc2)c(C)c1[C@H]1CC(=O)Nc2c1c(=O)[n-]n2C(C)C ZINC000071281308 570522666 /nfs/dbraw/zinc/52/26/66/570522666.db2.gz GHUBROXGDVLXDI-MRXNPFEDSA-N -1 3 379.464 3.743 50 0 GHAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccncc2)cc1C ZINC000169679757 570601204 /nfs/dbraw/zinc/60/12/04/570601204.db2.gz NEBBSDCKUABBMX-FDFHNCONSA-N -1 3 399.450 3.750 50 0 GHAAHM O=C(c1ccc(COc2ccc(Cl)cc2)o1)N1NC=C[C@]1([O-])C(F)(F)F ZINC000006829126 570626523 /nfs/dbraw/zinc/62/65/23/570626523.db2.gz XQMXTWJLKIXGCK-HNNXBMFYSA-N -1 3 388.729 3.595 50 0 GHAAHM Cc1ccc([N-]S(=O)(=O)c2cc(-c3ccc4nncn4n3)ccc2C)c(C)c1 ZINC000064983811 570631480 /nfs/dbraw/zinc/63/14/80/570631480.db2.gz DRNHNTAJWPJVDU-UHFFFAOYSA-N -1 3 393.472 3.517 50 0 GHAAHM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)cc1 ZINC000006866442 570655682 /nfs/dbraw/zinc/65/56/82/570655682.db2.gz KSCAITCTDIYVPD-CQSZACIVSA-N -1 3 384.501 3.737 50 0 GHAAHM CCOC(=O)C(Sc1cc(C)nc2c(-c3ccccc3)c(C)nn21)=C(C)[O-] ZINC000005576444 570659531 /nfs/dbraw/zinc/65/95/31/570659531.db2.gz DBSINLIINXCFBD-SFHVURJKSA-N -1 3 383.473 3.626 50 0 GHAAHM CC(C)(C)C1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccccc2Br)N1 ZINC000005383582 570661059 /nfs/dbraw/zinc/66/10/59/570661059.db2.gz QRIGXCAZXQDWSC-AWEZNQCLSA-N -1 3 393.203 3.948 50 0 GHAAHM Cc1ccc(-n2cc(-c3noc(C(=O)[N-]c4ccc(Cl)cc4)n3)nn2)cc1 ZINC000065236672 570743749 /nfs/dbraw/zinc/74/37/49/570743749.db2.gz ZKYDDDKFBYTRRI-UHFFFAOYSA-N -1 3 380.795 3.531 50 0 GHAAHM COc1ccc(NC(=O)CC2(Cn3cccc3)CCCCC2)cc1-c1nnn[n-]1 ZINC000524734255 570770230 /nfs/dbraw/zinc/77/02/30/570770230.db2.gz NJSMTRGCNSQPON-UHFFFAOYSA-N -1 3 394.479 3.656 50 0 GHAAHM COc1ccc(NC(=O)CC2(Cn3cccc3)CCCCC2)cc1-c1nn[n-]n1 ZINC000524734255 570770231 /nfs/dbraw/zinc/77/02/31/570770231.db2.gz NJSMTRGCNSQPON-UHFFFAOYSA-N -1 3 394.479 3.656 50 0 GHAAHM O=c1[nH]c(CSc2nnc([N-]c3ccccc3F)s2)nc2ccccc12 ZINC000005932502 570804950 /nfs/dbraw/zinc/80/49/50/570804950.db2.gz HBTYZGZAFLUWGD-UHFFFAOYSA-N -1 3 385.449 3.950 50 0 GHAAHM Cc1cc([N-]C(=O)[C@@H](C)OC(=O)c2cc3c(C)nn(CC(C)C)c3s2)on1 ZINC000032876099 570871292 /nfs/dbraw/zinc/87/12/92/570871292.db2.gz WFKWVSJGOAWDTQ-GFCCVEGCSA-N -1 3 390.465 3.543 50 0 GHAAHM COc1cc([C@H](C)[N-]c2nc(-c3cccc(Cl)c3)no2)ccc1OCCO ZINC000170623118 570881318 /nfs/dbraw/zinc/88/13/18/570881318.db2.gz NWBQZSWZMAXXPR-LBPRGKRZSA-N -1 3 389.839 3.943 50 0 GHAAHM O=C(Nc1ccccc1[O-])C1CCN(Cc2cc(-c3cccs3)on2)CC1 ZINC000012591933 570883677 /nfs/dbraw/zinc/88/36/77/570883677.db2.gz NJBNVPUOSYVWSU-UHFFFAOYSA-N -1 3 383.473 3.959 50 0 GHAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccncc2)cc1C ZINC000103561082 570886951 /nfs/dbraw/zinc/88/69/51/570886951.db2.gz NEBBSDCKUABBMX-YPAWHYETSA-N -1 3 399.450 3.750 50 0 GHAAHM COc1ccccc1-n1ncc2c1nc(S[C@@H](C)c1ccccc1)[n-]c2=O ZINC000010613504 570927832 /nfs/dbraw/zinc/92/78/32/570927832.db2.gz SKRKLMPWCRKPON-ZDUSSCGKSA-N -1 3 378.457 3.971 50 0 GHAAHM Cc1nc2c(c(=O)[n-]1)C[C@H]1CC[C@@H](C2)N1C(=O)Nc1ccccc1C(F)(F)F ZINC000675011148 840847557 /nfs/dbraw/zinc/84/75/57/840847557.db2.gz PFDCBVKXXMRWTI-NEPJUHHUSA-N -1 3 392.381 3.673 50 0 GHAAHM Cc1cc(Cl)ccc1OCC(=O)NN=Cc1cc(Br)ccc1[O-] ZINC000254905718 843025301 /nfs/dbraw/zinc/02/53/01/843025301.db2.gz MXJKKPMGKVTFET-UHFFFAOYSA-N -1 3 397.656 3.646 50 0 GHAAHM CCOC(=O)c1sc2[n-]c(C(Cl)=Cc3cccc(O)c3)nc(=O)c2c1C ZINC000013055646 846088415 /nfs/dbraw/zinc/08/84/15/846088415.db2.gz TVLCTPQOBGYPJJ-WQLSENKSSA-N -1 3 390.848 3.912 50 0 GHAAHM O=c1c2cc3c(cc2[n-]c(=S)n1C1CCN(Cc2ccccc2)CC1)OCO3 ZINC000002974132 862077988 /nfs/dbraw/zinc/07/79/88/862077988.db2.gz FICSRDABMSGKOG-UHFFFAOYSA-N -1 3 395.484 3.625 50 0 GHAAHM C[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)c1ccccn1 ZINC000009224210 856979658 /nfs/dbraw/zinc/97/96/58/856979658.db2.gz HYYBBHQPNAJNLR-AWEZNQCLSA-N -1 3 399.447 3.513 50 0 GHAAHM Cc1cc(OCC(=O)N2NC3=C(CCCC3)[C@]2([O-])C(F)(F)F)ccc1Cl ZINC000001151703 206360635 /nfs/dbraw/zinc/36/06/35/206360635.db2.gz KJKDKGWDCIMMLR-WBMJQRKESA-N -1 3 390.789 3.667 50 0 GHAAHM Cc1cccc(C(=O)N2N=C(c3ccc(Cl)cc3)C[C@]2(O)C(F)(F)F)c1[O-] ZINC000001213881 206367407 /nfs/dbraw/zinc/36/74/07/206367407.db2.gz HHDUOMDEYPIBRA-KRWDZBQOSA-N -1 3 398.768 3.855 50 0 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c1csc(-c2nc(Sc3ccc4nnnn4n3)[n-]c2-c2cccs2)c1 ZINC000012547658 570849265 /nfs/dbraw/zinc/84/92/65/570849265.db2.gz QZFRMKPKQQXKSR-UHFFFAOYSA-N -1 3 383.487 3.851 50 0 GHAAHM O=C(NN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)c1ccccc1[O-] ZINC000001212752 570959564 /nfs/dbraw/zinc/95/95/64/570959564.db2.gz WFQYUKLBKOQALM-NTEUORMPSA-N -1 3 390.873 3.592 50 0 GHAAHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)[C@@H](C)O3)c(C)c1C ZINC000007729399 571024671 /nfs/dbraw/zinc/02/46/71/571024671.db2.gz GLNPGCLTGYDZQD-OAHLLOKOSA-N -1 3 388.489 3.749 50 0 GHAAHM Cc1c([O-])ccc2c(COC(=O)c3ccccc3OC(F)F)cc(=O)oc12 ZINC000012779162 571032729 /nfs/dbraw/zinc/03/27/29/571032729.db2.gz KUGJDMBRBXIYQJ-UHFFFAOYSA-N -1 3 376.311 3.765 50 0 GHAAHM O=c1cc(CSc2nnc([N-]c3ccccc3F)s2)nc2sccn21 ZINC000003303987 862324945 /nfs/dbraw/zinc/32/49/45/862324945.db2.gz DEHZTXOGDKRWBY-UHFFFAOYSA-N -1 3 391.478 3.783 50 0 GHAAHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)NCCO[C@H]3CCCC[C@@H]3C)c2)n1 ZINC000069518403 856877381 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50 0 GHAAHM CCc1cc(C(=O)COc2ccc(I)cc2)c(O)cc1[O-] ZINC000000630333 206309833 /nfs/dbraw/zinc/30/98/33/206309833.db2.gz KLCKIIGWTHQDHG-UHFFFAOYSA-N -1 3 398.196 3.527 50 0 GHAAHM CCCCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NS(C)(=O)=O)c2)cc1 ZINC000004297067 206511945 /nfs/dbraw/zinc/51/19/45/206511945.db2.gz OLIWGVHRZQSKRZ-UHFFFAOYSA-N -1 3 396.534 3.510 50 0 GHAAHM Cc1sc2[nH]c(CS[C@@H](C)C(=O)Nc3ccccc3[O-])nc(=O)c2c1C ZINC000022024216 207244303 /nfs/dbraw/zinc/24/43/03/207244303.db2.gz UOQFNYOZXCEYRL-NSHDSACASA-N -1 3 389.502 3.567 50 0 GHAAHM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)c1 ZINC000029047269 207353389 /nfs/dbraw/zinc/35/33/89/207353389.db2.gz VHPGKWFJSRWJGU-UHFFFAOYSA-N -1 3 390.505 3.595 50 0 GHAAHM Cc1cc([N-]C(=O)[C@H](C)OC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)on1 ZINC000089608755 208106294 /nfs/dbraw/zinc/10/62/94/208106294.db2.gz VFLCYEKUVJUXNH-CYZMBNFOSA-N -1 3 382.338 3.676 50 0 GHAAHM O=c1[n-]n(C2CCCCCCC2)c2c1[C@@H](c1ccc[nH]c1=O)SCC(=O)N2 ZINC000095477805 208192674 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GHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1C(N)=O ZINC000004809435 570407100 /nfs/dbraw/zinc/40/71/00/570407100.db2.gz AYDYSPRLVMJWBF-UHFFFAOYSA-N -1 3 382.441 3.687 50 0 GHAAHM C[C@H](CCc1ccccc1)NC(=O)COc1cc([O-])c2c(c1)OC(C)(C)CC2=O ZINC000006624140 570508407 /nfs/dbraw/zinc/50/84/07/570508407.db2.gz YEGSWDGAULXLSV-OAHLLOKOSA-N -1 3 397.471 3.652 50 0 biogenic GHAAHM CCCN1C(=O)[C@@]([N-]c2cccc(C)n2)(C(F)(F)F)N=C1c1ccccc1 ZINC000006759198 570574380 /nfs/dbraw/zinc/57/43/80/570574380.db2.gz BBHPWGVDSYCADN-SFHVURJKSA-N -1 3 376.382 3.760 50 0 GHAAHM O=S(=O)([N-]Cc1cccs1)c1ccc(-c2nnc(C3CCC3)o2)s1 ZINC000064920578 570591705 /nfs/dbraw/zinc/59/17/05/570591705.db2.gz UPOQIMPYZGBGHS-UHFFFAOYSA-N -1 3 381.504 3.606 50 0 GHAAHM CN(CCc1ccccn1)Cc1ccc(-c2nc(-c3cccnc3)cc(=O)[n-]2)cc1 ZINC000048501675 570659337 /nfs/dbraw/zinc/65/93/37/570659337.db2.gz UVGBJGKLZSGZJI-UHFFFAOYSA-N -1 3 397.482 3.568 50 0 GHAAHM CCOc1ccccc1CN(CC)C(=O)c1c[n-]c2ccc(OC)cc2c1=O ZINC000055413561 570694885 /nfs/dbraw/zinc/69/48/85/570694885.db2.gz HHYVSRHFBDFRLT-UHFFFAOYSA-N -1 3 380.444 3.598 50 0 GHAAHM Cc1nnc(-c2c(C)n(C)c(C)c2S(=O)(=O)[N-]c2ccc(F)cc2Cl)o1 ZINC000065194113 570725632 /nfs/dbraw/zinc/72/56/32/570725632.db2.gz ZXBQSHBAKVDAAW-UHFFFAOYSA-N -1 3 398.847 3.594 50 0 GHAAHM Cc1ccc([N-]C(=O)c2nc(-c3cn(-c4cccc(Cl)c4)nn3)no2)cc1F ZINC000065236789 570743772 /nfs/dbraw/zinc/74/37/72/570743772.db2.gz FRGSMRHNFODADZ-UHFFFAOYSA-N -1 3 398.785 3.671 50 0 GHAAHM COc1cc2ncc(C(=O)c3cccc(Br)c3)c([O-])c2cc1OC ZINC000067340942 570779276 /nfs/dbraw/zinc/77/92/76/570779276.db2.gz OOJMFECJAJALKB-UHFFFAOYSA-N -1 3 388.217 3.539 50 0 GHAAHM CC(C)c1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c2cnn(C(C)C)c2n1 ZINC000036744280 570805999 /nfs/dbraw/zinc/80/59/99/570805999.db2.gz SQDXKQQALXDXRV-UHFFFAOYSA-N -1 3 381.362 3.525 50 0 GHAAHM CC(C)c1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c2cnn(C(C)C)c2n1 ZINC000036744280 570806000 /nfs/dbraw/zinc/80/60/00/570806000.db2.gz SQDXKQQALXDXRV-UHFFFAOYSA-N -1 3 381.362 3.525 50 0 GHAAHM C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000015044212 570873642 /nfs/dbraw/zinc/87/36/42/570873642.db2.gz BCOZCHIFQIFKFD-HNNXBMFYSA-N -1 3 391.471 3.795 50 0 GHAAHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)Oc3cccc(Cl)c3)c2)n1 ZINC000047317633 570953531 /nfs/dbraw/zinc/95/35/31/570953531.db2.gz VCAMYWPGEBHJKD-ZDUSSCGKSA-N -1 3 383.835 3.805 50 0 GHAAHM CCOC(=O)/C(=C\c1ccc(OC(F)F)c(OCC)c1)c1ncccc1[O-] ZINC000606444227 835134608 /nfs/dbraw/zinc/13/46/08/835134608.db2.gz URPRUBFNWJQZNK-RAXLEYEMSA-N -1 3 379.359 3.891 50 0 GHAAHM C[C@@H]1C[C@H](C)CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000057379126 862065558 /nfs/dbraw/zinc/06/55/58/862065558.db2.gz CEDGRCNVFAYBKW-GASCZTMLSA-N -1 3 390.480 3.745 50 0 GHAAHM O=C(Nc1cccc(Cl)c1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000040115343 856668881 /nfs/dbraw/zinc/66/88/81/856668881.db2.gz JZPCGABKIFZDHX-UHFFFAOYSA-N -1 3 393.827 3.860 50 0 GHAAHM O=S(=O)([N-]Cc1cccnc1Oc1cccc(F)c1)c1ccc(F)cc1F ZINC000032437741 862923922 /nfs/dbraw/zinc/92/39/22/862923922.db2.gz KSLABDOMAKCYTF-UHFFFAOYSA-N -1 3 394.374 3.770 50 0 GHAAHM CCOC(=O)n1c([N-]C(=S)Nc2ccc(Cl)cn2)nc2c1CCCC2 ZINC000000624230 206307913 /nfs/dbraw/zinc/30/79/13/206307913.db2.gz JTSQCHAYJNJNBM-UHFFFAOYSA-N -1 3 379.873 3.624 50 0 GHAAHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000000814988 206324070 /nfs/dbraw/zinc/32/40/70/206324070.db2.gz NQUDWHSRLAEDSE-OAHLLOKOSA-N -1 3 395.640 3.940 50 0 GHAAHM Cc1nn(-c2ccc(C)cc2)c2ncc(C(=O)Nc3cccc(F)c3)c([O-])c12 ZINC000010166806 206374700 /nfs/dbraw/zinc/37/47/00/206374700.db2.gz GWXMMINJORJWIC-UHFFFAOYSA-N -1 3 376.391 3.722 50 0 GHAAHM Cc1cc(OCC(=O)N2NC3=C(CCCC3)[C@]2([O-])C(F)(F)F)ccc1Cl ZINC000001151702 206361480 /nfs/dbraw/zinc/36/14/80/206361480.db2.gz KJKDKGWDCIMMLR-LRDDRELGSA-N -1 3 390.789 3.667 50 0 GHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Nc3ccc(C)nn3)cc2)c(C)c1C ZINC000035597979 206749553 /nfs/dbraw/zinc/74/95/53/206749553.db2.gz MYHBLSQGRWNMRQ-UHFFFAOYSA-N -1 3 398.488 3.955 50 0 GHAAHM CCCNC(=O)c1cc(S(=O)(=O)[N-][C@H](C)CCC)c(Cl)cc1Cl ZINC000012924843 206954953 /nfs/dbraw/zinc/95/49/53/206954953.db2.gz JGPZUAKOZOCMHF-SNVBAGLBSA-N -1 3 381.325 3.600 50 0 GHAAHM COc1cc(/C=C2\C(=O)Nc3ccc(Br)cc32)cc(OC)c1[O-] ZINC000015016055 207041515 /nfs/dbraw/zinc/04/15/15/207041515.db2.gz XNAPTDHIYFVBNE-XGICHPGQSA-N -1 3 376.206 3.665 50 0 GHAAHM O=c1[n-]nc(SCc2nc(-c3cccc(Cl)c3)no2)n1Cc1ccccc1 ZINC000016818528 207078216 /nfs/dbraw/zinc/07/82/16/207078216.db2.gz YNFGTVFIFGDYAM-UHFFFAOYSA-N -1 3 399.863 3.615 50 0 GHAAHM Cc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)c1 ZINC000020888991 207218595 /nfs/dbraw/zinc/21/85/95/207218595.db2.gz FWDQTWUEWNVHRH-LBPRGKRZSA-N -1 3 377.853 3.738 50 0 GHAAHM CCOC(=O)c1c2c(sc1[N-]C(=O)C(=O)OC)C[C@@H](C(C)(C)CC)CC2 ZINC000022333772 207252028 /nfs/dbraw/zinc/25/20/28/207252028.db2.gz JQKXYALERLKSCO-NSHDSACASA-N -1 3 381.494 3.577 50 0 GHAAHM Cc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2C)nc1 ZINC000025045178 207298940 /nfs/dbraw/zinc/29/89/40/207298940.db2.gz KQHAPZGPZGMMOH-UHFFFAOYSA-N -1 3 399.447 3.891 50 0 GHAAHM O=C(Nc1ncccc1[O-])c1ccc(SCc2cn3ccccc3n2)cc1 ZINC000024469384 207292282 /nfs/dbraw/zinc/29/22/82/207292282.db2.gz FKCVWRMFEKZXQU-UHFFFAOYSA-N -1 3 376.441 3.980 50 0 GHAAHM CCc1cc(=O)[n-]c(-c2cccc(NCC(=O)Nc3ccc(C)c(C)c3)c2)n1 ZINC000040152846 207359131 /nfs/dbraw/zinc/35/91/31/207359131.db2.gz ZIEJSCAWGQRZKK-UHFFFAOYSA-N -1 3 376.460 3.667 50 0 GHAAHM Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2ccc(C)cc2Cl)o1 ZINC000096379560 208312569 /nfs/dbraw/zinc/31/25/69/208312569.db2.gz PKXUSCAJPILDBU-UHFFFAOYSA-N -1 3 380.857 3.753 50 0 GHAAHM Cc1[nH]c(-c2nnc(C3CCC3)o2)c(C)c1S(=O)(=O)[N-]c1ccccc1F ZINC000096379516 208312733 /nfs/dbraw/zinc/31/27/33/208312733.db2.gz XCMCQVXNTPCHKL-UHFFFAOYSA-N -1 3 390.440 3.889 50 0 GHAAHM O=C(c1c[n-]c2c(F)cccc2c1=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000096232762 208290180 /nfs/dbraw/zinc/29/01/80/208290180.db2.gz NZVTWDVEGXKYDU-KRWDZBQOSA-N -1 3 376.391 3.521 50 0 GHAAHM O=C1[C@H]2C(c3ccccc3Cl)=NOC2=C([O-])N1c1ccc(Cl)cc1Cl ZINC000101359500 208391950 /nfs/dbraw/zinc/39/19/50/208391950.db2.gz WSMQNLKUIRGZOC-ZFWWWQNUSA-N -1 3 395.629 3.939 50 0 GHAAHM COc1cccc2c(=O)c(C(=O)N3CCC[C@@H]3c3nc4ccccc4[nH]3)c[n-]c12 ZINC000253496386 209043448 /nfs/dbraw/zinc/04/34/48/209043448.db2.gz BNQCXHDDUQAEKK-QGZVFWFLSA-N -1 3 388.427 3.803 50 0 GHAAHM CCCc1cc(=O)n2nc(NCc3ccc(OCc4ccccc4)cc3)[n-]c2n1 ZINC000101196564 570255796 /nfs/dbraw/zinc/25/57/96/570255796.db2.gz ROSLYYQLCRXOCZ-UHFFFAOYSA-N -1 3 389.459 3.561 50 0 GHAAHM O=c1c2ccccc2nc(/C=C\c2ccc3c(c2)OCO3)n1-c1ccccc1[O-] ZINC000033411026 570312626 /nfs/dbraw/zinc/31/26/26/570312626.db2.gz PUHIQNTYRWZUEH-BENRWUELSA-N -1 3 384.391 3.990 50 0 GHAAHM CSc1nnc2c(n1)O[C@@]1([N-]c3ccccc3-2)C(=O)Nc2ccc(Cl)cc21 ZINC000003653268 570349772 /nfs/dbraw/zinc/34/97/72/570349772.db2.gz MGSLRGCQQVYLTR-GOSISDBHSA-N -1 3 397.847 3.523 50 0 biogenic GHAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1Br ZINC000004809493 570407065 /nfs/dbraw/zinc/40/70/65/570407065.db2.gz QJDHVMXKWWXEIH-UHFFFAOYSA-N -1 3 376.659 3.912 50 0 GHAAHM CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccco2)cc1 ZINC000245311074 570435287 /nfs/dbraw/zinc/43/52/87/570435287.db2.gz MBEIPAAIJONRMZ-NJDAHSKKSA-N -1 3 388.423 3.893 50 0 GHAAHM O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1ccc(Cl)cc1 ZINC000006492499 570456329 /nfs/dbraw/zinc/45/63/29/570456329.db2.gz JDKCAGQJNLGYHF-UHFFFAOYSA-N -1 3 396.859 3.737 50 0 aggregator GHAAHM CCOc1ccc(-c2cccc([N-]S(=O)(=O)c3ccc(OC)c(C)c3)c2)nn1 ZINC000005204270 570506162 /nfs/dbraw/zinc/50/61/62/570506162.db2.gz WCHBUZJTKBPFKY-UHFFFAOYSA-N -1 3 399.472 3.660 50 0 GHAAHM COc1ccccc1C(=O)[N-]n1c(=O)c2ccccc2nc1C1CCCCC1 ZINC000005205978 570507710 /nfs/dbraw/zinc/50/77/10/570507710.db2.gz BKYZVNSXHBBHEM-UHFFFAOYSA-N -1 3 377.444 3.837 50 0 GHAAHM Cc1ccc(C[N-]S(=O)(=O)c2c(C)nn(-c3ccc(Cl)cc3)c2C)o1 ZINC000064663327 570512923 /nfs/dbraw/zinc/51/29/23/570512923.db2.gz PQMCYKKJQDHGGD-UHFFFAOYSA-N -1 3 379.869 3.522 50 0 GHAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)Nc3ccc(F)c(Cl)c3)cc2O1 ZINC000006661506 570525343 /nfs/dbraw/zinc/52/53/43/570525343.db2.gz PGLLNVHCNVWTQL-UHFFFAOYSA-N -1 3 393.798 3.946 50 0 GHAAHM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000013495198 570576544 /nfs/dbraw/zinc/57/65/44/570576544.db2.gz OFQOPCAKAXSHMA-LBPRGKRZSA-N -1 3 377.853 3.738 50 0 GHAAHM CC(C)(C)[N-]S(=O)(=O)c1cc(-c2nnc(-c3ccccc3)o2)ccc1F ZINC000064988140 570632358 /nfs/dbraw/zinc/63/23/58/570632358.db2.gz IWQQBGMUPZUARI-UHFFFAOYSA-N -1 3 375.425 3.620 50 0 GHAAHM CCc1ccc(-n2nnc(-c3nsc([N-]C(=O)c4cccs4)n3)c2C)cc1 ZINC000006914557 570701284 /nfs/dbraw/zinc/70/12/84/570701284.db2.gz IFXVBVONCSDUSD-UHFFFAOYSA-N -1 3 396.501 3.970 50 0 GHAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000004623946 570701318 /nfs/dbraw/zinc/70/13/18/570701318.db2.gz LRLJHWYNANNHPH-ZDUSSCGKSA-N -1 3 391.880 3.574 50 0 GHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CCC2)cc1 ZINC000006935306 570713861 /nfs/dbraw/zinc/71/38/61/570713861.db2.gz ZBCGAVNUNAMWSX-HNNXBMFYSA-N -1 3 384.501 3.874 50 0 GHAAHM O=C([N-]c1nnc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)s1)c1cccs1 ZINC000012862598 570725153 /nfs/dbraw/zinc/72/51/53/570725153.db2.gz KWPSROBWSWPGLK-SNVBAGLBSA-N -1 3 388.449 3.512 50 0 GHAAHM O=c1[n-]nc(SCc2nc(-c3ccc(Cl)cc3)no2)n1Cc1ccccc1 ZINC000013109555 570746413 /nfs/dbraw/zinc/74/64/13/570746413.db2.gz HRMUPFNDDLEHDD-UHFFFAOYSA-N -1 3 399.863 3.615 50 0 GHAAHM Cc1ccc2[nH]cc(CC[N-]S(=O)(=O)c3ccc(Br)s3)c2c1 ZINC000036612446 570757257 /nfs/dbraw/zinc/75/72/57/570757257.db2.gz ZLIAULZSTLNMTO-UHFFFAOYSA-N -1 3 399.335 3.821 50 0 GHAAHM Cc1cccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3[O-])n2C)c1 ZINC000009328496 570775326 /nfs/dbraw/zinc/77/53/26/570775326.db2.gz NDLOTBDVPRZQDE-UHFFFAOYSA-N -1 3 388.880 3.880 50 0 GHAAHM O=C(Nc1ccc2c(c1)CCC2)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000007284950 570824999 /nfs/dbraw/zinc/82/49/99/570824999.db2.gz HOWSJZNETAFHDQ-UHFFFAOYSA-N -1 3 390.892 3.522 50 0 GHAAHM COc1ccc(OC)c([C@H]2CCCN2C(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000046017688 571011851 /nfs/dbraw/zinc/01/18/51/571011851.db2.gz CVFFJGUDGJYKNH-LJQANCHMSA-N -1 3 378.428 3.523 50 0 GHAAHM C[C@@H](S[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1)C(=O)NC1CC1 ZINC000056230001 861468848 /nfs/dbraw/zinc/46/88/48/861468848.db2.gz RTASUKSPDOELNG-NXEZZACHSA-N -1 3 389.502 3.706 50 0 GHAAHM CCc1cc(=O)[n-]c(-c2ccc(NCCCn3c(C)nc4ccccc43)nc2)n1 ZINC000068659682 856522716 /nfs/dbraw/zinc/52/27/16/856522716.db2.gz QVUSBDYRWLOXBH-UHFFFAOYSA-N -1 3 388.475 3.555 50 0 GHAAHM Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[n-]c(CN3CCCC3)nc(=O)c12 ZINC000009576258 857237602 /nfs/dbraw/zinc/23/76/02/857237602.db2.gz JCHHDRNDDNPSML-UHFFFAOYSA-N -1 3 396.516 3.758 50 0 GHAAHM CCc1oc(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)cc1C(=O)[O-] ZINC000585080769 897042622 /nfs/dbraw/zinc/04/26/22/897042622.db2.gz HRBQWBRMMRKTTO-FQEVSTJZSA-N -1 3 398.503 3.743 50 0 GHAAHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3cccc(O)c3)nc(=O)c2c1C ZINC000005827435 903380541 /nfs/dbraw/zinc/38/05/41/903380541.db2.gz UJQXFPNJCQWQBE-XFFZJAGNSA-N -1 3 376.821 3.522 50 0 GHAAHM Cc1nn(-c2ccc(C)cc2)c2ncc(C(=O)N3CCc4ccccc43)c([O-])c12 ZINC000010166796 206374565 /nfs/dbraw/zinc/37/45/65/206374565.db2.gz MEQQXYIEJACKMK-UHFFFAOYSA-N -1 3 384.439 3.534 50 0 GHAAHM CC(C)CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2cccc(Br)c2)N1 ZINC000001151754 206360564 /nfs/dbraw/zinc/36/05/64/206360564.db2.gz HKXITKXHAMYOQS-CQSZACIVSA-N -1 3 393.203 3.948 50 0 GHAAHM O=c1cc(-c2ccc(Cl)cc2)nc(N2CCN(c3ccc(F)cc3)CC2)[n-]1 ZINC000014162219 207011761 /nfs/dbraw/zinc/01/17/61/207011761.db2.gz KRMICPYGSGPNSR-UHFFFAOYSA-N -1 3 384.842 3.556 50 0 GHAAHM Cc1cc(C)c2c(=O)[n-]c(SCc3nnc(-c4ccc(Cl)cc4)o3)nc2n1 ZINC000016045927 207071337 /nfs/dbraw/zinc/07/13/37/207071337.db2.gz IUBBMPUIJSZLMY-UHFFFAOYSA-N -1 3 399.863 3.931 50 0 GHAAHM CCc1cc2c(CN(C)CCOc3ccc(OC)cc3)cc(=O)oc2cc1[O-] ZINC000020799318 207215090 /nfs/dbraw/zinc/21/50/90/207215090.db2.gz IKXGJXXNBXMKBC-UHFFFAOYSA-N -1 3 383.444 3.580 50 0 GHAAHM Cc1cc([N-]C(=O)COc2ccc(Br)cc2Br)on1 ZINC000022611268 207258437 /nfs/dbraw/zinc/25/84/37/207258437.db2.gz YNVJWDHLJWACCV-UHFFFAOYSA-N -1 3 390.031 3.526 50 0 GHAAHM O=c1cc(C(F)F)nc(-c2cccc(CN3CCOC4(CCCC4)C3)c2)[n-]1 ZINC000023145600 207269636 /nfs/dbraw/zinc/26/96/36/207269636.db2.gz BATIEVMUBWJNHB-UHFFFAOYSA-N -1 3 375.419 3.520 50 0 GHAAHM CCOC(=O)c1c(C)oc2nc(CN(C)Cc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000023038265 207266991 /nfs/dbraw/zinc/26/69/91/207266991.db2.gz HADGPFSMLXTTRS-UHFFFAOYSA-N -1 3 389.839 3.699 50 0 GHAAHM CS(=O)(=O)[N-]c1cc(NC(=O)c2cc3c(cccc3F)s2)ccc1F ZINC000022972566 207267509 /nfs/dbraw/zinc/26/75/09/207267509.db2.gz PEWSDTHQUYAEKQ-UHFFFAOYSA-N -1 3 382.413 3.803 50 0 GHAAHM O=C(c1csc(S(=O)(=O)[N-]C2CCCCCCC2)c1)N1CCCCC1 ZINC000045961605 207664987 /nfs/dbraw/zinc/66/49/87/207664987.db2.gz SNQPDQSYPZJMBT-UHFFFAOYSA-N -1 3 384.567 3.765 50 0 GHAAHM COc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCCC2)c(OC)c1 ZINC000095477081 208192939 /nfs/dbraw/zinc/19/29/39/208192939.db2.gz BPSCGQBDYSPNIO-KRWDZBQOSA-N -1 3 389.477 3.733 50 0 GHAAHM O=C(NCCCCCc1nc2ccccc2[nH]1)c1c[n-]c2c(F)cccc2c1=O ZINC000096118530 208263390 /nfs/dbraw/zinc/26/33/90/208263390.db2.gz GRYKPRGBDJAMKY-UHFFFAOYSA-N -1 3 392.434 3.686 50 0 GHAAHM CC(C)c1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCOCC2)cc1 ZINC000096117277 208264355 /nfs/dbraw/zinc/26/43/55/208264355.db2.gz TZHXLELKXDXEKF-GOSISDBHSA-N -1 3 387.505 3.838 50 0 GHAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccc(Cl)cc1)[C@H]2c1ccco1 ZINC000101232102 208390318 /nfs/dbraw/zinc/39/03/18/208390318.db2.gz CWZHOIMVEOWUSX-CEXWTWQISA-N -1 3 394.814 3.984 50 0 GHAAHM Cc1ccccc1NCc1cc(=O)n2nc(NCc3ccc(Cl)cc3)[n-]c2n1 ZINC000101795955 208397691 /nfs/dbraw/zinc/39/76/91/208397691.db2.gz KVYKWYWIMZFVJY-UHFFFAOYSA-N -1 3 394.866 3.604 50 0 GHAAHM O=S(=O)([N-]CCOc1ccccc1F)c1cc(C(F)(F)F)ccc1Cl ZINC000007985340 221018603 /nfs/dbraw/zinc/01/86/03/221018603.db2.gz QMXJVSGNHMTQOI-UHFFFAOYSA-N -1 3 397.777 3.855 50 0 GHAAHM Cc1nc(N2CCCCC2)ncc1-c1cc(=O)[n-]c(Nc2ccc(Cl)cc2)n1 ZINC000039383622 132390967 /nfs/dbraw/zinc/39/09/67/132390967.db2.gz UOWDEJCRYDUMGJ-UHFFFAOYSA-N -1 3 396.882 3.923 50 0 GHAAHM CC(=O)c1cc(CN2C[C@@H]3C[C@@H](c4ccccc4)CC[C@]3(C(=O)[O-])C2)n(C)c1 ZINC000426412678 527206790 /nfs/dbraw/zinc/20/67/90/527206790.db2.gz GIGLYWLGODWXON-LEDOBFOHSA-N -1 3 380.488 3.698 50 0 GHAAHM O=S(=O)([N-]Cc1ccccc1)c1cc(-c2noc(C3CCCC3)n2)cs1 ZINC000035557614 570396540 /nfs/dbraw/zinc/39/65/40/570396540.db2.gz NLFGTKJBJNPEAD-UHFFFAOYSA-N -1 3 389.502 3.934 50 0 GHAAHM Cc1ccc(-n2ncc3c2nc(SCC(=O)c2ccccc2)[n-]c3=O)cc1 ZINC000002717959 570510196 /nfs/dbraw/zinc/51/01/96/570510196.db2.gz LQPSWOHMSSVRMG-UHFFFAOYSA-N -1 3 376.441 3.805 50 0 GHAAHM Cc1cc([N-]C(=O)[C@@H](C)OC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)on1 ZINC000046316420 570647487 /nfs/dbraw/zinc/64/74/87/570647487.db2.gz QWVBRWHZUTVSBQ-MRVPVSSYSA-N -1 3 382.203 3.955 50 0 GHAAHM CCOc1ccc(CN(C)CC(=O)[N-]C(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000006879748 570670512 /nfs/dbraw/zinc/67/05/12/570670512.db2.gz WBOGWHHXVUULPZ-UHFFFAOYSA-N -1 3 382.504 3.771 50 0 GHAAHM Cc1nc2ccc([O-])cc2c(=O)n1CC(=O)Nc1cccc2c1ccn2C(C)C ZINC000072324584 570673202 /nfs/dbraw/zinc/67/32/02/570673202.db2.gz YYKLQEHESJIRBN-UHFFFAOYSA-N -1 3 390.443 3.585 50 0 biogenic GHAAHM COc1ccc2c(c1)[nH]c(C(=O)[O-])c2CNCc1cccc(Br)c1 ZINC000006894415 570693631 /nfs/dbraw/zinc/69/36/31/570693631.db2.gz ZLEDBWOOTYXBKZ-UHFFFAOYSA-N -1 3 389.249 3.927 50 0 GHAAHM O=S(=O)([N-]C1CCCC1)c1cc(-c2nc(-c3cccc(F)c3)no2)cs1 ZINC000065098040 570696645 /nfs/dbraw/zinc/69/66/45/570696645.db2.gz JZIQIFXUJIRTAV-UHFFFAOYSA-N -1 3 393.465 3.825 50 0 GHAAHM CCOC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1ccccc1 ZINC000006916897 570703059 /nfs/dbraw/zinc/70/30/59/570703059.db2.gz DQJIRRXSWXRRMV-UHFFFAOYSA-N -1 3 375.471 3.557 50 0 GHAAHM O=C(c1ccc(COc2ccccc2Cl)o1)N1NC=C[C@@]1([O-])C(F)(F)F ZINC000006926989 570708182 /nfs/dbraw/zinc/70/81/82/570708182.db2.gz DGDRLWBBQNLRLP-OAHLLOKOSA-N -1 3 388.729 3.595 50 0 GHAAHM COc1cccc(F)c1-c1c(-c2ccccc2)ncn1CCc1cc(=O)[n-]cn1 ZINC000065403850 570765995 /nfs/dbraw/zinc/76/59/95/570765995.db2.gz QXVGCINKGPTDJT-UHFFFAOYSA-N -1 3 390.418 3.691 50 0 GHAAHM Cc1nc([N-]c2ncccc2C)sc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000065306353 570789951 /nfs/dbraw/zinc/78/99/51/570789951.db2.gz RFJXDKGLLBXYAD-UHFFFAOYSA-N -1 3 382.445 3.922 50 0 GHAAHM Cc1ccc(Nc2nc(N)nc(CSc3n[n-]c(-c4cccs4)n3)n2)cc1 ZINC000007199868 570814171 /nfs/dbraw/zinc/81/41/71/570814171.db2.gz UTGSWLCFSRCOLU-UHFFFAOYSA-N -1 3 396.505 3.645 50 0 GHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3nccs3)c2)cc1 ZINC000012526472 570831168 /nfs/dbraw/zinc/83/11/68/570831168.db2.gz WRIQDLWMERGNIF-UHFFFAOYSA-N -1 3 387.486 3.813 50 0 GHAAHM Cc1noc(C)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000012557192 570859739 /nfs/dbraw/zinc/85/97/39/570859739.db2.gz YJCJHERIRVPNSU-UHFFFAOYSA-N -1 3 399.472 3.961 50 0 GHAAHM CC[C@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1cc(Cl)c(Br)[n-]1 ZINC000032936300 570948451 /nfs/dbraw/zinc/94/84/51/570948451.db2.gz PCWMRZIYDSQIKD-UWVGGRQHSA-N -1 3 391.693 3.767 50 0 GHAAHM CC(=O)Nc1ccc(NC(=O)c2cc(=O)c(OCc3ccc(F)cc3)c[n-]2)cc1 ZINC000012169129 570961248 /nfs/dbraw/zinc/96/12/48/570961248.db2.gz QWEIKLCXUFHQNP-UHFFFAOYSA-N -1 3 395.390 3.716 50 0 GHAAHM Cc1cc(Cl)ccc1OCC(=O)N1NC2=C(CCCC2)[C@@]1([O-])C(F)(F)F ZINC000033327051 570981466 /nfs/dbraw/zinc/98/14/66/570981466.db2.gz CQHICGLQDZKYRI-BLLLJJGKSA-N -1 3 390.789 3.667 50 0 GHAAHM COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-][C@@H](C)c1ccccc1 ZINC000008604967 856288612 /nfs/dbraw/zinc/28/86/12/856288612.db2.gz WOVFFEDXKUEJGT-NSHDSACASA-N -1 3 393.461 3.867 50 0 GHAAHM Cc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OCc3ccccc3Cl)cc1)CC(=O)N2 ZINC000008995855 856694396 /nfs/dbraw/zinc/69/43/96/856694396.db2.gz VHFMRHHAMUSNOR-INIZCTEOSA-N -1 3 395.846 3.785 50 0 GHAAHM CC(=O)N[C@H]([N-]c1nnc(-c2ccc(C)cc2)s1)C(Cl)(Cl)Cl ZINC000004248227 862902078 /nfs/dbraw/zinc/90/20/78/862902078.db2.gz BLQOUUOASSZVOG-LLVKDONJSA-N -1 3 379.700 3.758 50 0 GHAAHM O=C1[N-]C(=O)C(=CNc2ccc(OC(F)F)c3ncccc23)c2ccccc21 ZINC000102134009 891066510 /nfs/dbraw/zinc/06/65/10/891066510.db2.gz MCPRKWCULTVQQE-UVTDQMKNSA-N -1 3 381.338 3.559 50 0 GHAAHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1occ2c1CCOC2 ZINC000585081867 897035341 /nfs/dbraw/zinc/03/53/41/897035341.db2.gz RKDPOSJMKXSDID-UHFFFAOYSA-N -1 3 378.215 3.723 50 0 GHAAHM [O-]c1cc(OCCN2CCOCC2)ccc1-c1n[nH]cc1-c1ccc(Cl)cc1 ZINC000020590091 206296999 /nfs/dbraw/zinc/29/69/99/206296999.db2.gz KVCZUIUGXHELFK-UHFFFAOYSA-N -1 3 399.878 3.814 50 0 GHAAHM CCOC(=O)c1c2cc([O-])c(Br)cc2n(C)c1CN1CCCCC1 ZINC000000862744 206329456 /nfs/dbraw/zinc/32/94/56/206329456.db2.gz FVFVMOHRRPOOMK-UHFFFAOYSA-N -1 3 395.297 3.809 50 0 biogenic GHAAHM CC(C)(C)c1cc([N-]C(=O)COC(=O)c2ccc(OC(F)(F)F)cc2)on1 ZINC000009642692 206334059 /nfs/dbraw/zinc/33/40/59/206334059.db2.gz YBHIXJACQPQAIW-UHFFFAOYSA-N -1 3 386.326 3.666 50 0 GHAAHM O=S(=O)([N-]C1CCCCC1)c1ccc(Cl)cc1I ZINC000001040969 206344912 /nfs/dbraw/zinc/34/49/12/206344912.db2.gz VLQIDFKZLMIHLM-UHFFFAOYSA-N -1 3 399.681 3.556 50 0 GHAAHM Cc1cc(OCC(=O)N2NC3=C(CCCC3)[C@@]2([O-])C(F)(F)F)ccc1Cl ZINC000001151705 206360650 /nfs/dbraw/zinc/36/06/50/206360650.db2.gz KJKDKGWDCIMMLR-MLGOLLRUSA-N -1 3 390.789 3.667 50 0 GHAAHM Cc1cc(=O)oc2c(C)c(OCc3n[n-]c(=S)n3-c3ccccc3)ccc12 ZINC000019923625 207169541 /nfs/dbraw/zinc/16/95/41/207169541.db2.gz AVQOAHNCBMYJDR-UHFFFAOYSA-N -1 3 379.441 3.858 50 0 GHAAHM O=c1c([C@H]2NCCc3ccccc32)c([O-])[nH]c(=S)n1CCC1=CCCCC1 ZINC000020149656 207180912 /nfs/dbraw/zinc/18/09/12/207180912.db2.gz LWDWSQAXOLKUTE-SFHVURJKSA-N -1 3 383.517 3.737 50 0 GHAAHM O=c1[nH]c(=S)n(CCC2=CCCCC2)c([O-])c1[C@H]1NCCc2ccccc21 ZINC000020149656 207180916 /nfs/dbraw/zinc/18/09/16/207180916.db2.gz LWDWSQAXOLKUTE-SFHVURJKSA-N -1 3 383.517 3.737 50 0 GHAAHM CN(Cc1ccc(-c2nc(-c3cccnc3)cc(=O)[n-]2)cc1)Cc1ccccn1 ZINC000020513845 207200039 /nfs/dbraw/zinc/20/00/39/207200039.db2.gz DMGHBLBUAFVTPG-UHFFFAOYSA-N -1 3 383.455 3.526 50 0 GHAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)CS[C@@H]2c1cc(Cl)cc2c1OCOC2 ZINC000079488893 208074910 /nfs/dbraw/zinc/07/49/10/208074910.db2.gz HAENJLJOTIEUQZ-OAHLLOKOSA-N -1 3 395.868 3.701 50 0 GHAAHM COCc1cc(C(=O)[N-]c2nc(-c3ccccc3)c(-c3nccn3C)s2)no1 ZINC000095962333 208247295 /nfs/dbraw/zinc/24/72/95/208247295.db2.gz PSTBJTZTUOMXSQ-UHFFFAOYSA-N -1 3 395.444 3.597 50 0 GHAAHM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2cnn(C(C)C)c2)S1 ZINC000096116649 208264530 /nfs/dbraw/zinc/26/45/30/208264530.db2.gz IDGNWFWFGBWZNU-ZBFHGGJFSA-N -1 3 389.525 3.970 50 0 GHAAHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)ccc1N1CCCC1=O ZINC000005329310 208669531 /nfs/dbraw/zinc/66/95/31/208669531.db2.gz SASPEYWBVHWSAK-UHFFFAOYSA-N -1 3 384.501 3.801 50 0 GHAAHM COCc1nc(C)c(C(=O)[N-]c2nnc(C3(c4ccccc4)CC3)s2)s1 ZINC000242178773 209020956 /nfs/dbraw/zinc/02/09/56/209020956.db2.gz XATBFYQWEZGEGE-UHFFFAOYSA-N -1 3 386.502 3.782 50 0 GHAAHM CCCCSCc1cc(C(=O)N2CCc3c(nc(C)[n-]c3=O)C2)oc1C ZINC000299781262 209088729 /nfs/dbraw/zinc/08/87/29/209088729.db2.gz LECNANSDWGJRCJ-UHFFFAOYSA-N -1 3 375.494 3.624 50 0 GHAAHM C[C@@H]1CCCN(Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)[O-])C1 ZINC000299769449 209083818 /nfs/dbraw/zinc/08/38/18/209083818.db2.gz XLZVSZKQBRVWPR-OAHLLOKOSA-N -1 3 383.444 3.778 50 0 GHAAHM CC(C)Cc1nnc([N-]C(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)s1 ZINC000023176853 570348049 /nfs/dbraw/zinc/34/80/49/570348049.db2.gz KREGMKJFIPYQED-UHFFFAOYSA-N -1 3 396.398 3.588 50 0 GHAAHM COc1ccc(S(=O)(=O)[N-]CCSCc2ccco2)c(Cl)c1Cl ZINC000004178573 570361171 /nfs/dbraw/zinc/36/11/71/570361171.db2.gz BPDZAVUOVQKJEY-UHFFFAOYSA-N -1 3 396.317 3.807 50 0 GHAAHM CC(=O)c1c(C)cc(C)c(COC(=O)c2cccc([N-]S(C)(=O)=O)c2)c1C ZINC000024966884 570383382 /nfs/dbraw/zinc/38/33/82/570383382.db2.gz QRYXDHYGXOIXKV-UHFFFAOYSA-N -1 3 389.473 3.543 50 0 GHAAHM O=C(Cc1cccs1)Nc1ccc(Oc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000004870048 570414515 /nfs/dbraw/zinc/41/45/15/570414515.db2.gz JLKUYGRWBWZOBH-UHFFFAOYSA-N -1 3 378.409 3.605 50 0 GHAAHM CCc1ccc([N-]S(=O)(=O)c2ccc3oc(=O)c4ncn(CC)c4c3c2)cc1 ZINC000006733211 570557803 /nfs/dbraw/zinc/55/78/03/570557803.db2.gz BBWYIRGERFQZSO-UHFFFAOYSA-N -1 3 397.456 3.526 50 0 GHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)cc1C ZINC000006866584 570655741 /nfs/dbraw/zinc/65/57/41/570655741.db2.gz JKGBDKXMSBIBDQ-OAHLLOKOSA-N -1 3 384.501 3.792 50 0 GHAAHM O=S(=O)([N-]C[C@H](O)c1ccc(-c2ccsc2)cc1)c1ccccc1F ZINC000585148065 570742084 /nfs/dbraw/zinc/74/20/84/570742084.db2.gz FHLHSCBYECGXII-KRWDZBQOSA-N -1 3 377.462 3.566 50 0 GHAAHM O=S(=O)([N-]C[C@@H](O)c1ccc(-c2ccsc2)cc1)c1ccccc1F ZINC000585148068 570742089 /nfs/dbraw/zinc/74/20/89/570742089.db2.gz FHLHSCBYECGXII-QGZVFWFLSA-N -1 3 377.462 3.566 50 0 GHAAHM C[C@H](Sc1nc2ccccc2o1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000007026257 570742474 /nfs/dbraw/zinc/74/24/74/570742474.db2.gz KMCGEBMVHSVIBH-NSHDSACASA-N -1 3 376.459 3.563 50 0 GHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)c2ncccc2O3)cc1 ZINC000065241504 570745772 /nfs/dbraw/zinc/74/57/72/570745772.db2.gz PPAQGZTUGUBLJN-UHFFFAOYSA-N -1 3 395.440 3.573 50 0 GHAAHM CCOc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)cc(Cl)c1[O-] ZINC000101657627 570828562 /nfs/dbraw/zinc/82/85/62/570828562.db2.gz COYGKVHENJDWKU-NVNXTCNLSA-N -1 3 390.798 3.676 50 0 GHAAHM C[C@H](Oc1ccc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)cn1)c1ccccc1 ZINC000065565444 570831346 /nfs/dbraw/zinc/83/13/46/570831346.db2.gz ABNSOIFYWYFYHM-AWEZNQCLSA-N -1 3 386.415 3.654 50 0 GHAAHM C[C@H](Oc1ccc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)cn1)c1ccccc1 ZINC000065565444 570831349 /nfs/dbraw/zinc/83/13/49/570831349.db2.gz ABNSOIFYWYFYHM-AWEZNQCLSA-N -1 3 386.415 3.654 50 0 GHAAHM C[C@H](Oc1ccc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cn1)c1ccccc1 ZINC000065565444 570831352 /nfs/dbraw/zinc/83/13/52/570831352.db2.gz ABNSOIFYWYFYHM-AWEZNQCLSA-N -1 3 386.415 3.654 50 0 GHAAHM C[C@H]1CCCCN1Cc1cc(=O)n2nc(-c3ccc(C(C)(C)C)cc3)[n-]c2n1 ZINC000101747746 570832132 /nfs/dbraw/zinc/83/21/32/570832132.db2.gz UOAXNJYLCYNQRC-HNNXBMFYSA-N -1 3 379.508 3.757 50 0 GHAAHM COc1ccc(-c2nn(C3=C([O-])N(c4ccc(F)cc4)C(=O)C3)c(=S)o2)cc1 ZINC000102327916 570845714 /nfs/dbraw/zinc/84/57/14/570845714.db2.gz ZKIRQVPFBSWTJK-OAHLLOKOSA-N -1 3 399.403 3.525 50 0 GHAAHM CC(C)c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1 ZINC000024541885 570889409 /nfs/dbraw/zinc/88/94/09/570889409.db2.gz VKIIIPRQSGBJLZ-UHFFFAOYSA-N -1 3 376.453 3.642 50 0 GHAAHM O=S(=O)([N-]CCOc1cccc(C(F)(F)F)c1)c1ccc(Cl)s1 ZINC000023143586 570918965 /nfs/dbraw/zinc/91/89/65/570918965.db2.gz JLYQMJVPCMVVKZ-UHFFFAOYSA-N -1 3 385.816 3.778 50 0 GHAAHM COc1cc2c(=O)n(CCSC(C)(C)C)c(=S)[n-]c2c(OC)c1OC ZINC000001042537 570930424 /nfs/dbraw/zinc/93/04/24/570930424.db2.gz AUHGAPSJLJHMOR-UHFFFAOYSA-N -1 3 384.523 3.617 50 0 GHAAHM Cc1cc(C(=O)OCC(=O)[N-]c2cc(C(C)(C)C)no2)c(C)n1Cc1ccco1 ZINC000017275831 570932387 /nfs/dbraw/zinc/93/23/87/570932387.db2.gz OZIRISMSXWHAOG-UHFFFAOYSA-N -1 3 399.447 3.827 50 0 GHAAHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)CCO1 ZINC000187558922 570970898 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Cc1noc(C)c1CCC(=O)Nc1n[n-]c(SCc2ccc(Cl)cc2)n1 ZINC000010214660 857419699 /nfs/dbraw/zinc/41/96/99/857419699.db2.gz PBTCEVMVCQLVTN-UHFFFAOYSA-N -1 3 391.884 3.927 50 0 GHAAHM Cc1sc(-n2cccc2CNCc2ccc3c(c2)OCO3)c(C(=O)[O-])c1C ZINC000021935409 859976450 /nfs/dbraw/zinc/97/64/50/859976450.db2.gz COZSDCHSTFXMSD-UHFFFAOYSA-N -1 3 384.457 3.872 50 0 GHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(I)c2)cc1 ZINC000006315384 206230915 /nfs/dbraw/zinc/23/09/15/206230915.db2.gz ONKMKPCZHOICMC-UHFFFAOYSA-N -1 3 387.242 3.709 50 0 GHAAHM CCOC(=O)/C(=C/c1ccc(OC(F)F)c(OCC)c1)c1ncccc1[O-] ZINC000328599941 206231821 /nfs/dbraw/zinc/23/18/21/206231821.db2.gz URPRUBFNWJQZNK-JLHYYAGUSA-N -1 3 379.359 3.891 50 0 GHAAHM Cc1c([O-])ccc2c(CN3CCN(c4cccc(Cl)c4)CC3)cc(=O)oc12 ZINC000054106032 206278032 /nfs/dbraw/zinc/27/80/32/206278032.db2.gz RSJYTOHLANCOTQ-UHFFFAOYSA-N -1 3 384.863 3.783 50 0 biogenic GHAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3)c(C)c1 ZINC000009168711 206307145 /nfs/dbraw/zinc/30/71/45/206307145.db2.gz UDGUBNGTEKKOTN-UHFFFAOYSA-N -1 3 388.489 3.770 50 0 GHAAHM CN(C)c1ccc(C(=O)N2NC(C3CCCCC3)=C[C@]2([O-])C(F)(F)F)cc1 ZINC000000979776 206338038 /nfs/dbraw/zinc/33/80/38/206338038.db2.gz PMAJCYXPJYJKFR-SFHVURJKSA-N -1 3 383.414 3.786 50 0 GHAAHM CCN(CCO)C(=O)C[C@@H](c1ccccc1)c1cc(Br)ccc1[O-] ZINC000001060925 206346949 /nfs/dbraw/zinc/34/69/49/206346949.db2.gz QDZRQFBIASQJOC-INIZCTEOSA-N -1 3 392.293 3.518 50 0 GHAAHM Cc1ccc(OCc2nc(SCC(=O)c3ccc(F)c(F)c3)n[n-]2)cc1 ZINC000002634173 206424372 /nfs/dbraw/zinc/42/43/72/206424372.db2.gz PDYQQQXZIZWPRB-UHFFFAOYSA-N -1 3 375.400 3.945 50 0 GHAAHM CC(=O)c1ccc(N2CCN([C@@H](C(=O)[O-])c3c(C)[nH]c4ccccc43)CC2)cc1 ZINC000020744760 207213277 /nfs/dbraw/zinc/21/32/77/207213277.db2.gz BVIVAZWHJOTYAG-JOCHJYFZSA-N -1 3 391.471 3.627 50 0 GHAAHM Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000024891714 207298350 /nfs/dbraw/zinc/29/83/50/207298350.db2.gz DESZRUDWWROEBG-UHFFFAOYSA-N -1 3 387.486 3.742 50 0 GHAAHM CN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1nc2ccsc2c(=O)[n-]1 ZINC000024600900 207293482 /nfs/dbraw/zinc/29/34/82/207293482.db2.gz UVCLZHQVLGGENT-UHFFFAOYSA-N -1 3 397.287 3.774 50 0 GHAAHM CCOc1ncccc1C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000028041857 207334189 /nfs/dbraw/zinc/33/41/89/207334189.db2.gz DZSXZWMSPXUUDZ-UHFFFAOYSA-N -1 3 394.802 3.631 50 0 GHAAHM Cc1cc(C)c([O-])c(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1 ZINC000095956508 208244000 /nfs/dbraw/zinc/24/40/00/208244000.db2.gz ZDTVBDQWZKVNDA-UHFFFAOYSA-N -1 3 387.867 3.548 50 0 GHAAHM CCc1nnc(-c2[nH]c(C)c(S(=O)(=O)[N-]c3cc(F)ccc3Cl)c2C)o1 ZINC000096379460 208312708 /nfs/dbraw/zinc/31/27/08/208312708.db2.gz NTAVTTDWHYZUGD-UHFFFAOYSA-N -1 3 398.847 3.837 50 0 GHAAHM Cc1cccc(NCc2cc(=O)n3nc(NCc4ccccc4Cl)[n-]c3n2)c1 ZINC000101796228 208398181 /nfs/dbraw/zinc/39/81/81/208398181.db2.gz ZSYJANPFIPNOEK-UHFFFAOYSA-N -1 3 394.866 3.604 50 0 GHAAHM Cc1cnc([C@H]([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)C2CC2)s1 ZINC000173488718 208763219 /nfs/dbraw/zinc/76/32/19/208763219.db2.gz XQHGLAAQWQZPBK-QGZVFWFLSA-N -1 3 380.535 3.977 50 0 GHAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1F)ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000229977865 209004755 /nfs/dbraw/zinc/00/47/55/209004755.db2.gz IMEVDSRFMICGCF-PWRODBHTSA-N -1 3 388.398 3.877 50 0 GHAAHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)c(Cl)cc2Cl)c(Cl)c1 ZINC000408516068 534211537 /nfs/dbraw/zinc/21/15/37/534211537.db2.gz JGYUVULQOJXWNE-UHFFFAOYSA-N -1 3 393.679 3.855 50 0 GHAAHM COC1CCN(c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)CC1 ZINC000096122397 536758106 /nfs/dbraw/zinc/75/81/06/536758106.db2.gz RVKBICZOQDFELH-UHFFFAOYSA-N -1 3 378.469 3.550 50 0 GHAAHM COC(=O)c1cc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)oc1C ZINC000012881702 570283602 /nfs/dbraw/zinc/28/36/02/570283602.db2.gz ZCDHTQHLRKZGBH-UHFFFAOYSA-N -1 3 396.428 3.501 50 0 GHAAHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C)Cc1csc2ccccc12 ZINC000575620583 570369388 /nfs/dbraw/zinc/36/93/88/570369388.db2.gz LAXASJYMAZZLQO-NSHDSACASA-N -1 3 395.527 3.659 50 0 GHAAHM Cc1nc(-c2ccco2)sc1C[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000090593521 570381762 /nfs/dbraw/zinc/38/17/62/570381762.db2.gz DWVDOTGCPJACGC-UHFFFAOYSA-N -1 3 386.857 3.983 50 0 GHAAHM COc1ccc(C(=O)Nc2ccc(NC(=O)Cc3cccs3)cc2[O-])cc1 ZINC000004945043 570419224 /nfs/dbraw/zinc/41/92/24/570419224.db2.gz HHMGCNZJFICRIG-UHFFFAOYSA-N -1 3 382.441 3.896 50 0 GHAAHM Cc1c(CNCc2ccc3c(c2)OCO3)c(C(=O)[O-])c(C)n1Cc1ccccc1 ZINC000005146369 570426713 /nfs/dbraw/zinc/42/67/13/570426713.db2.gz HRYXJZGKWFZZHR-UHFFFAOYSA-N -1 3 392.455 3.870 50 0 GHAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc3c4c(c2)CCCN4C(=O)[C@@H]3C)c(C)c1 ZINC000005153771 570429439 /nfs/dbraw/zinc/42/94/39/570429439.db2.gz JRIISYBMFGTKNG-OAHLLOKOSA-N -1 3 384.501 3.809 50 0 GHAAHM Cc1c(C)n(CCCO)c2ncn3nc(-c4cc5ccccc5cc4[O-])nc3c12 ZINC000009340831 570555555 /nfs/dbraw/zinc/55/55/55/570555555.db2.gz TULQHQNAFHUZSU-UHFFFAOYSA-N -1 3 387.443 3.604 50 0 GHAAHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000005788576 570690360 /nfs/dbraw/zinc/69/03/60/570690360.db2.gz PCZDVSCKWMGMMA-SGMGOOAPSA-N -1 3 390.343 3.951 50 0 GHAAHM CCCc1c(=O)[n-]c(N2CCN(Cc3ccccc3)CC2)nc1-c1ccccc1 ZINC000054274503 570677130 /nfs/dbraw/zinc/67/71/30/570677130.db2.gz XYDINODKEZXUOS-UHFFFAOYSA-N -1 3 388.515 3.712 50 0 GHAAHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1nc(-c2ccccc2)c[nH]1 ZINC000058218817 570721410 /nfs/dbraw/zinc/72/14/10/570721410.db2.gz PGTZERQTJDSIGQ-OAHLLOKOSA-N -1 3 377.416 3.785 50 0 GHAAHM CCOc1ccc(CCC2CCN(C(=O)c3ccc4n[n-]nc4c3)CC2)cc1 ZINC000010995183 570793466 /nfs/dbraw/zinc/79/34/66/570793466.db2.gz OEUQACFBAGBBJK-UHFFFAOYSA-N -1 3 378.476 3.842 50 0 GHAAHM COc1cc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc(Cl)c1[O-] ZINC000012556283 570859570 /nfs/dbraw/zinc/85/95/70/570859570.db2.gz XYFWAKQHGMSDFA-DJJJIMSYSA-N -1 3 388.851 3.800 50 0 GHAAHM CN(C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1cccs1 ZINC000047031687 570938852 /nfs/dbraw/zinc/93/88/52/570938852.db2.gz SQSDBOUAJJPHSZ-LBPRGKRZSA-N -1 3 379.334 3.636 50 0 GHAAHM O=S(=O)([N-]Cc1nc2cccnc2n1C1CCCCC1)c1ccccc1F ZINC000047146918 570944095 /nfs/dbraw/zinc/94/40/95/570944095.db2.gz UDAPSFMMOYJJCP-UHFFFAOYSA-N -1 3 388.468 3.554 50 0 GHAAHM CCCn1c2ccc([N-]S(=O)(=O)c3ccc(OCC)cc3)cc2sc1=O ZINC000046017541 571011798 /nfs/dbraw/zinc/01/17/98/571011798.db2.gz NXYKNZPIWZRCHK-UHFFFAOYSA-N -1 3 392.502 3.673 50 0 GHAAHM O=c1[n-]c(SC[C@H]2Cc3ccccc3O2)nc2c1cnn2-c1ccccc1 ZINC000084572781 571023715 /nfs/dbraw/zinc/02/37/15/571023715.db2.gz USWBSTVNQOVPKB-OAHLLOKOSA-N -1 3 376.441 3.617 50 0 GHAAHM O=C(Cc1ccc(Cl)cc1)OCc1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000003292547 862315176 /nfs/dbraw/zinc/31/51/76/862315176.db2.gz KTNPOUYBGYAHPX-UHFFFAOYSA-N -1 3 388.876 3.803 50 0 GHAAHM CCOC(=O)[C@]([O-])(c1ccc(N(CC)C(=O)c2ccccc2)cc1)C(F)(F)F ZINC000004016955 862716538 /nfs/dbraw/zinc/71/65/38/862716538.db2.gz OVFRIRSEASSMPP-LJQANCHMSA-N -1 3 395.377 3.666 50 0 GHAAHM O=C(COC(=O)c1ccc([O-])cc1)N1c2ccccc2OC[C@@H]1c1ccccc1 ZINC000008447283 856217385 /nfs/dbraw/zinc/21/73/85/856217385.db2.gz QXMOWRKMIGHIQW-HXUWFJFHSA-N -1 3 389.407 3.716 50 0 GHAAHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)C1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC000616823283 859961397 /nfs/dbraw/zinc/96/13/97/859961397.db2.gz KRMONQVWNGATLP-OAHLLOKOSA-N -1 3 395.381 3.642 50 0 GHAAHM COc1ccc(-c2nsc([N-]C(=O)c3c(Cl)n(C)nc3C(C)C)n2)cc1 ZINC000154348360 231026927 /nfs/dbraw/zinc/02/69/27/231026927.db2.gz IOKGUHYRWFCCJG-UHFFFAOYSA-N -1 3 391.884 3.976 50 0 GHAAHM C[C@@H](OC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000002839491 209116528 /nfs/dbraw/zinc/11/65/28/209116528.db2.gz PSCQDNLWVDGQBX-LLVKDONJSA-N -1 3 388.272 3.576 50 0 GHAAHM Fc1ccc([C@H]2CN(Cn3nc(-c4cccs4)[n-]c3=S)CCO2)cc1 ZINC000023057835 206298636 /nfs/dbraw/zinc/29/86/36/206298636.db2.gz BCVBXTDJEHINFO-CQSZACIVSA-N -1 3 376.482 3.839 50 0 GHAAHM O=S(=O)([N-]C1CCCCC1)c1cc(Br)ccc1Br ZINC000000644478 206311387 /nfs/dbraw/zinc/31/13/87/206311387.db2.gz DCNQOIIRAZKWKX-UHFFFAOYSA-N -1 3 397.132 3.823 50 0 GHAAHM O=C(NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1)c1ccco1 ZINC000001205799 206366060 /nfs/dbraw/zinc/36/60/60/206366060.db2.gz VUKJKVODJVSNEO-UHFFFAOYSA-N -1 3 379.397 3.920 50 0 GHAAHM Cc1c(-c2nsc([N-]C(=O)c3ccco3)n2)nnn1-c1cccc(Cl)c1 ZINC000006817548 206682109 /nfs/dbraw/zinc/68/21/09/206682109.db2.gz XLZMRSIDQSHEDB-UHFFFAOYSA-N -1 3 386.824 3.593 50 0 GHAAHM O=C(c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1)N1CCCC1 ZINC000008269933 206744427 /nfs/dbraw/zinc/74/44/27/206744427.db2.gz SHMSUHUHMHEVNE-UHFFFAOYSA-N -1 3 382.844 3.516 50 0 GHAAHM Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c([O-])c1 ZINC000014129376 207012899 /nfs/dbraw/zinc/01/28/99/207012899.db2.gz RIDOBCBBISYADF-LBPRGKRZSA-N -1 3 378.350 3.711 50 0 GHAAHM Cc1cc(NC(=O)[C@H](OC(=O)c2ccc(Cl)cc2[O-])c2ccccc2)no1 ZINC000016814775 207079135 /nfs/dbraw/zinc/07/91/35/207079135.db2.gz MMBHPBXIIPPSKR-QGZVFWFLSA-N -1 3 386.791 3.879 50 0 GHAAHM CCN1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(OCc4ccccc4)cc32)CC1 ZINC000020732966 207212314 /nfs/dbraw/zinc/21/23/14/207212314.db2.gz BWWIFDMCFOQEGK-QFIPXVFZSA-N -1 3 393.487 3.510 50 0 GHAAHM COc1cc(CN(C)c2ccc(-c3nc(C)cc(=O)[n-]3)cn2)ccc1SC ZINC000095399223 208179650 /nfs/dbraw/zinc/17/96/50/208179650.db2.gz CSWJRRZVEOMPSJ-UHFFFAOYSA-N -1 3 382.489 3.507 50 0 GHAAHM CCN(C)[C@H](C(=O)Nc1cccc(-n2c(C)n[n-]c2=S)c1)c1ccccc1 ZINC000095448363 208183129 /nfs/dbraw/zinc/18/31/29/208183129.db2.gz RTWMKOGUQMRJFC-SFHVURJKSA-N -1 3 381.505 3.870 50 0 GHAAHM CCc1nc(CN(CC(C)C)C(=O)C(C)C)[n-]c(=O)c1Cc1ccc(OC)cc1 ZINC000096317682 208306691 /nfs/dbraw/zinc/30/66/91/208306691.db2.gz PDWACLOKWNFOTK-UHFFFAOYSA-N -1 3 399.535 3.572 50 0 GHAAHM Cc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2cc(C)ccc2Cl)n1 ZINC000096379741 208311517 /nfs/dbraw/zinc/31/15/17/208311517.db2.gz UEVRXFBRLCUZBL-UHFFFAOYSA-N -1 3 380.857 3.753 50 0 GHAAHM Cc1ccc(-n2c(O)c3n(-c4ccccc4)[n-]c(-c4ccccc4)c-3c2=O)cc1 ZINC000100739668 208379745 /nfs/dbraw/zinc/37/97/45/208379745.db2.gz AZEUNCWIFNZFJC-IFMALSPDSA-N -1 3 381.435 3.778 50 0 GHAAHM Cc1ccccc1N1C(=O)C(=Cc2cc(Br)ccc2[O-])NC1=S ZINC000101057355 208386059 /nfs/dbraw/zinc/38/60/59/208386059.db2.gz PBWMGISXMDUMML-UKTHLTGXSA-N -1 3 389.274 3.725 50 0 GHAAHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCc2cccc(Cl)c2)cc1OC ZINC000048365075 570245462 /nfs/dbraw/zinc/24/54/62/570245462.db2.gz FJNGNKPIICIIQU-UHFFFAOYSA-N -1 3 396.896 3.682 50 0 GHAAHM CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cc21 ZINC000032943876 570288364 /nfs/dbraw/zinc/28/83/64/570288364.db2.gz HULUDPRGHGSAFF-JTQLQIEISA-N -1 3 398.456 3.613 50 0 GHAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccc(F)cc1 ZINC000004020868 570354758 /nfs/dbraw/zinc/35/47/58/570354758.db2.gz FZJBDLOPMUTLQL-QHAWAJNXSA-N -1 3 388.398 3.877 50 0 GHAAHM Cc1ccc(OCC(=O)N2NC3=C(CCCCC3)[C@@]2([O-])C(F)(F)F)cc1C ZINC000005024391 570399303 /nfs/dbraw/zinc/39/93/03/570399303.db2.gz AXQKTTYQSLEIPV-MAUKXSAKSA-N -1 3 384.398 3.712 50 0 GHAAHM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(-n2cccn2)cc1 ZINC000024577626 570405010 /nfs/dbraw/zinc/40/50/10/570405010.db2.gz UOXNVJQQWPPGQS-UHFFFAOYSA-N -1 3 392.278 3.744 50 0 GHAAHM COc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCCC2)cc1OC ZINC000005433101 570439369 /nfs/dbraw/zinc/43/93/69/570439369.db2.gz ZFUFKCZDLVUOST-QGZVFWFLSA-N -1 3 389.477 3.733 50 0 GHAAHM CCCc1ccc(OCc2ccc(C(=O)N3NC=C[C@]3([O-])C(F)(F)F)o2)cc1 ZINC000006462360 570440457 /nfs/dbraw/zinc/44/04/57/570440457.db2.gz SLTVFKFHSJUMMT-SFHVURJKSA-N -1 3 396.365 3.894 50 0 GHAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1cccc(F)c1 ZINC000137907022 570485055 /nfs/dbraw/zinc/48/50/55/570485055.db2.gz BYXOTOJBGXHDNU-PWRODBHTSA-N -1 3 388.398 3.877 50 0 GHAAHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)c1ccccc1 ZINC000007307980 570502557 /nfs/dbraw/zinc/50/25/57/570502557.db2.gz UHGCKBSQLGBKGX-GFCCVEGCSA-N -1 3 384.295 3.887 50 0 GHAAHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000013494915 570576031 /nfs/dbraw/zinc/57/60/31/570576031.db2.gz BIUWQNCRXMBYDA-JTQLQIEISA-N -1 3 381.816 3.569 50 0 GHAAHM CCSc1ncc(Cl)c(C(=O)[N-]c2sc3c(c2C(=O)OC)CCC3)n1 ZINC000006810480 570613261 /nfs/dbraw/zinc/61/32/61/570613261.db2.gz GJWJFKYJGOOJGI-UHFFFAOYSA-N -1 3 397.909 3.831 50 0 GHAAHM Cc1cc([N-]C(=O)[C@H](C)OC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)on1 ZINC000046316421 570647017 /nfs/dbraw/zinc/64/70/17/570647017.db2.gz QWVBRWHZUTVSBQ-QMMMGPOBSA-N -1 3 382.203 3.955 50 0 GHAAHM CNC(=O)c1ccc(CN(C)C(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1 ZINC000058264802 570723744 /nfs/dbraw/zinc/72/37/44/570723744.db2.gz XLHSVRJCCTUDDC-UHFFFAOYSA-N -1 3 388.467 3.615 50 0 GHAAHM CCOC(=O)c1c(C)oc2nc(COc3ccc(Cl)cc3Cl)[n-]c(=O)c21 ZINC000013121424 570747324 /nfs/dbraw/zinc/74/73/24/570747324.db2.gz IMCUFYRCEKGRKD-UHFFFAOYSA-N -1 3 397.214 3.887 50 0 GHAAHM COc1ccc2c(C)c(Cc3nc(CCc4ccccc4)n[n-]3)c(=O)oc2c1 ZINC000067774747 570790702 /nfs/dbraw/zinc/79/07/02/570790702.db2.gz LSEGBQGMCJPTBF-UHFFFAOYSA-N -1 3 375.428 3.604 50 0 GHAAHM Cc1cc(C)nc(-n2nc3[n-]cc4c(c-3c2=O)C[C@@H](c2ccccc2C)CC4=O)n1 ZINC000102750121 570860743 /nfs/dbraw/zinc/86/07/43/570860743.db2.gz FHFONMSCJFXWHB-OAHLLOKOSA-N -1 3 399.454 3.754 50 0 GHAAHM Cc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)CC(=O)N2 ZINC000017028907 570937439 /nfs/dbraw/zinc/93/74/39/570937439.db2.gz WAWIRBHQBMOFNB-QGZVFWFLSA-N -1 3 395.846 3.785 50 0 GHAAHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(Br)c3)c2)n1 ZINC000047318235 570953902 /nfs/dbraw/zinc/95/39/02/570953902.db2.gz CPWODUFFJWHGNF-UHFFFAOYSA-N -1 3 384.233 3.760 50 0 GHAAHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@H]2C[C@@H]2C2CCC2)CC1 ZINC000170653547 570999025 /nfs/dbraw/zinc/99/90/25/570999025.db2.gz YZGZTLAGWKGQAT-CVEARBPZSA-N -1 3 376.884 3.659 50 0 GHAAHM Cc1ccc(-c2nc(C(=O)[N-]c3cc(S(C)(=O)=O)ccc3F)cs2)cc1 ZINC000012753218 571006573 /nfs/dbraw/zinc/00/65/73/571006573.db2.gz QQGCRFRFYMTYOY-UHFFFAOYSA-N -1 3 390.461 3.913 50 0 GHAAHM CCCn1c2ccc([N-]S(=O)(=O)c3ccc(C)cc3C)cc2sc1=O ZINC000046017490 571011834 /nfs/dbraw/zinc/01/18/34/571011834.db2.gz ADQZUXCCXKSQEK-UHFFFAOYSA-N -1 3 376.503 3.891 50 0 GHAAHM COc1ccc2c(c1)CCN(Cc1cccc(-c3nc(C4CC4)cc(=O)[n-]3)c1)C2 ZINC000023429408 837074502 /nfs/dbraw/zinc/07/45/02/837074502.db2.gz BOCOARVMRAMAOV-UHFFFAOYSA-N -1 3 387.483 3.881 50 0 GHAAHM O=C(NCc1ccccc1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000002645329 861463331 /nfs/dbraw/zinc/46/33/31/861463331.db2.gz HHWCEZOPNJDMNX-UHFFFAOYSA-N -1 3 384.432 3.557 50 0 GHAAHM O=C([N-]c1nnc(SCCN2CCCC2)s1)c1nc2ccccc2s1 ZINC000070635065 857238497 /nfs/dbraw/zinc/23/84/97/857238497.db2.gz AWVHTPRVIHLIPO-UHFFFAOYSA-N -1 3 391.547 3.588 50 0 GHAAHM Cc1ccc(C=CS(=O)(=O)[N-]N=c2[nH]cc(C(F)(F)F)cc2Cl)cc1 ZINC000055558342 924045932 /nfs/dbraw/zinc/04/59/32/924045932.db2.gz BBCCUZAHVDADRG-SREVYHEPSA-N -1 3 391.802 3.979 50 0 GHAAHM COC(=O)C[C@@H](c1ccc(OC(C)C)cc1)c1oc2ccccc2c(=O)c1[O-] ZINC000253409380 206282785 /nfs/dbraw/zinc/28/27/85/206282785.db2.gz LSVBNCBTVPMKAO-KRWDZBQOSA-N -1 3 382.412 3.981 50 0 biogenic GHAAHM Cc1cc(I)ccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000000830004 206325264 /nfs/dbraw/zinc/32/52/64/206325264.db2.gz OCBYPMZIZNBENX-UHFFFAOYSA-N -1 3 391.205 3.540 50 0 GHAAHM Cc1nn(-c2ccc(C)cc2)c2ncc(C(=O)Nc3ccc(F)cc3)c([O-])c12 ZINC000010166807 206374623 /nfs/dbraw/zinc/37/46/23/206374623.db2.gz WJFQJIKTAANHOU-UHFFFAOYSA-N -1 3 376.391 3.722 50 0 GHAAHM CCOC(=O)[C@@]([N-]c1cccc(Cl)c1)(NC(=O)c1ccco1)C(F)(F)F ZINC000003103579 206456756 /nfs/dbraw/zinc/45/67/56/206456756.db2.gz UFCDDZQVULUUDH-OAHLLOKOSA-N -1 3 390.745 3.597 50 0 GHAAHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)Nc1ccc(-c2ccccc2)cc1 ZINC000014083617 207009994 /nfs/dbraw/zinc/00/99/94/207009994.db2.gz FJUFIJLKZDYBCH-UHFFFAOYSA-N -1 3 398.459 3.800 50 0 GHAAHM CS(=O)(=O)[N-]c1cccc(C(=O)OCc2csc(-c3ccsc3)n2)c1 ZINC000014641800 207026235 /nfs/dbraw/zinc/02/62/35/207026235.db2.gz GCCITJCDIWXBFS-UHFFFAOYSA-N -1 3 394.499 3.600 50 0 GHAAHM CN(CCc1ccccn1)Cc1ccc(-c2nc3c(c(=O)[n-]2)CSC3)cc1 ZINC000020232807 207183707 /nfs/dbraw/zinc/18/37/07/207183707.db2.gz YDXSFFZDNXEXJP-UHFFFAOYSA-N -1 3 378.501 3.666 50 0 GHAAHM Cc1cc(C)c(NC(=O)[C@@H]([N-]S(=O)(=O)c2cccs2)C(C)C)c(C)c1 ZINC000021052173 207224043 /nfs/dbraw/zinc/22/40/43/207224043.db2.gz REBMQWMGWFKUJJ-INIZCTEOSA-N -1 3 380.535 3.615 50 0 GHAAHM O=c1[n-]nc(SCc2cccc(Br)c2)n1CCc1ccccc1 ZINC000022615858 207258493 /nfs/dbraw/zinc/25/84/93/207258493.db2.gz ARHMQCHNDWPWIZ-UHFFFAOYSA-N -1 3 390.306 3.869 50 0 GHAAHM Cc1nc(-c2cccc(CN3CCN(c4ccccc4)C[C@@H]3C)c2)[n-]c(=O)c1F ZINC000023339970 207275470 /nfs/dbraw/zinc/27/54/70/207275470.db2.gz GKFITKITVXOBBI-INIZCTEOSA-N -1 3 392.478 3.595 50 0 GHAAHM CC[C@H](NCc1nc(=O)c2sccc2[n-]1)c1ccc(Br)cc1 ZINC000023996004 207286425 /nfs/dbraw/zinc/28/64/25/207286425.db2.gz ZYPLASARCYKJGP-LBPRGKRZSA-N -1 3 378.295 3.988 50 0 GHAAHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(C(C)C)cc2)s1 ZINC000030008667 207369459 /nfs/dbraw/zinc/36/94/59/207369459.db2.gz ASINDDRVQSOKCQ-CYBMUJFWSA-N -1 3 380.535 3.547 50 0 GHAAHM CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2ccc(C)c(Cl)c2)CC1 ZINC000032411424 207396033 /nfs/dbraw/zinc/39/60/33/207396033.db2.gz HZZVHGYCBHEOHQ-UHFFFAOYSA-N -1 3 393.940 3.591 50 0 GHAAHM O=C(CCc1nc2cc(Br)cnc2[nH]1)Nc1cc(Cl)ccc1[O-] ZINC000079476872 208075782 /nfs/dbraw/zinc/07/57/82/208075782.db2.gz FDEVILDJUMSTEL-UHFFFAOYSA-N -1 3 395.644 3.651 50 0 GHAAHM O=C(Cc1ccc([O-])c(Cl)c1)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 ZINC000095390048 208175436 /nfs/dbraw/zinc/17/54/36/208175436.db2.gz LGKBHCCHAHURKK-RTBURBONSA-N -1 3 384.907 3.711 50 0 GHAAHM O=S(=O)([N-]C[C@@H](c1ccccc1Cl)N1CCCC1)c1ccccc1F ZINC000048332484 527221926 /nfs/dbraw/zinc/22/19/26/527221926.db2.gz HCAOXCYEUYUASF-KRWDZBQOSA-N -1 3 382.888 3.595 50 0 GHAAHM CCC(C)(C)C1CCC([N-]S(=O)(=O)c2ccc(CNC(C)=O)s2)CC1 ZINC000048374054 570248861 /nfs/dbraw/zinc/24/88/61/570248861.db2.gz BEZCGRPPJOUACC-UHFFFAOYSA-N -1 3 386.583 3.658 50 0 GHAAHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)c(C)c1C ZINC000012907224 570290555 /nfs/dbraw/zinc/29/05/55/570290555.db2.gz BBDIRTMYSIMRDG-UHFFFAOYSA-N -1 3 399.509 3.572 50 0 GHAAHM Cc1cc(C)n2nc(C(=O)[N-]c3ncc(Cc4ccc(Cl)cc4)s3)nc2n1 ZINC000021773063 570307876 /nfs/dbraw/zinc/30/78/76/570307876.db2.gz UNEXBEKUELRLJO-UHFFFAOYSA-N -1 3 398.879 3.694 50 0 GHAAHM COc1ccccc1C(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000002850310 570308329 /nfs/dbraw/zinc/30/83/29/570308329.db2.gz YOFAUNWYUNYISE-UHFFFAOYSA-N -1 3 388.379 3.623 50 0 GHAAHM COc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OCCC(C)C)cc(Cl)c1[O-] ZINC000000728758 570309065 /nfs/dbraw/zinc/30/90/65/570309065.db2.gz SVHKRDIJWTUUEY-MRXNPFEDSA-N -1 3 396.871 3.614 50 0 GHAAHM Cc1cc([N-]C(=O)[C@@H](C)OC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)on1 ZINC000014566361 570313426 /nfs/dbraw/zinc/31/34/26/570313426.db2.gz SSFCIYYCZRJUGQ-WCQYABFASA-N -1 3 381.432 3.773 50 0 GHAAHM CCOC(=O)[C@@]([O-])(c1ccc(N(C)C(=O)c2ccc(C)cc2)cc1)C(F)(F)F ZINC000003099830 570328478 /nfs/dbraw/zinc/32/84/78/570328478.db2.gz QUZUGXNEYKKTLP-IBGZPJMESA-N -1 3 395.377 3.585 50 0 GHAAHM CC(C)c1nccn1-c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000004629442 570388693 /nfs/dbraw/zinc/38/86/93/570388693.db2.gz LGCVTXYKZRCUDS-UHFFFAOYSA-N -1 3 399.472 3.568 50 0 GHAAHM CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2n[n-]c(-c3cccs3)n2)cc1 ZINC000005017170 570397143 /nfs/dbraw/zinc/39/71/43/570397143.db2.gz XSXRRQGFNQEAJS-SNVBAGLBSA-N -1 3 387.490 3.611 50 0 GHAAHM CS(=O)(=O)[N-]c1ccc(-c2noc(-c3cccc(Br)c3)n2)cc1 ZINC000033276318 570404654 /nfs/dbraw/zinc/40/46/54/570404654.db2.gz UGTORVLXUZQSDW-UHFFFAOYSA-N -1 3 394.250 3.538 50 0 GHAAHM CC(C)c1ccc(OCC(=O)N2NC3=C(CCCC3)[C@]2([O-])C(F)(F)F)cc1 ZINC000033327043 570406781 /nfs/dbraw/zinc/40/67/81/570406781.db2.gz CSYGKFVGLJGQOV-QAPCUYQASA-N -1 3 384.398 3.828 50 0 GHAAHM COC(=O)c1cc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)c(F)cc1F ZINC000013008080 570415833 /nfs/dbraw/zinc/41/58/33/570415833.db2.gz SAYPDKUMCABMBB-UHFFFAOYSA-N -1 3 383.416 3.786 50 0 GHAAHM CC(C)C(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc21 ZINC000005099657 570416618 /nfs/dbraw/zinc/41/66/18/570416618.db2.gz ZRXWCIPWKJBHBA-UHFFFAOYSA-N -1 3 376.453 3.562 50 0 GHAAHM COc1cc(C(=O)O[C@@H](C)C(=O)[N-]c2cc(C)no2)ccc1OCCC(C)C ZINC000010993638 570417144 /nfs/dbraw/zinc/41/71/44/570417144.db2.gz BTEGVIIGVPGKSB-AWEZNQCLSA-N -1 3 390.436 3.601 50 0 GHAAHM O=C1CCc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc3c2N1CC3 ZINC000005153548 570429392 /nfs/dbraw/zinc/42/93/92/570429392.db2.gz SYOIRKUSILKIKI-UHFFFAOYSA-N -1 3 397.283 3.630 50 0 GHAAHM Cc1nn(-c2cccc(C)c2C)c2c1[C@H](C(=O)c1ccc([O-])cc1)CC(=O)N2 ZINC000064450224 570464393 /nfs/dbraw/zinc/46/43/93/570464393.db2.gz IPYRXNWMOWWGBL-QGZVFWFLSA-N -1 3 375.428 3.812 50 0 GHAAHM Cc1onc(-c2ccccc2)c1C(=O)[N-]c1cc(S(C)(=O)=O)ccc1Cl ZINC000006587480 570484515 /nfs/dbraw/zinc/48/45/15/570484515.db2.gz FQUREQPWBOWRKO-UHFFFAOYSA-N -1 3 390.848 3.959 50 0 GHAAHM Cc1ccccc1OCc1n[n-]c(=S)n1-c1cnn(Cc2ccccc2)c1 ZINC000002808372 570519624 /nfs/dbraw/zinc/51/96/24/570519624.db2.gz WHJOZEMETXZQAZ-UHFFFAOYSA-N -1 3 377.473 3.688 50 0 GHAAHM COc1ccc(-c2csc3[n-]c(CN4CCCCC4)nc(=O)c23)cc1OC ZINC000036203877 570568286 /nfs/dbraw/zinc/56/82/86/570568286.db2.gz LAOCVRCEKPZNTN-UHFFFAOYSA-N -1 3 385.489 3.655 50 0 GHAAHM O=C([O-])c1cnn(-c2ccccc2)c1-n1cccc1CNCc1ccc(F)cc1 ZINC000006750832 570569006 /nfs/dbraw/zinc/56/90/06/570569006.db2.gz FLTHKVPPZLMZAF-UHFFFAOYSA-N -1 3 390.418 3.790 50 0 GHAAHM O=C(CCCOc1ccc(Cl)cc1Cl)N1NC=C[C@@]1([O-])C(F)(F)F ZINC000005447070 570596552 /nfs/dbraw/zinc/59/65/52/570596552.db2.gz CWSLLAKHWDPTDZ-CYBMUJFWSA-N -1 3 385.169 3.621 50 0 GHAAHM C[C@@H]1CCc2sc(C(=O)Nc3ccc(F)c([N-]S(C)(=O)=O)c3)cc2C1 ZINC000012788466 570713491 /nfs/dbraw/zinc/71/34/91/570713491.db2.gz CPOYVVZMPNNXSL-SNVBAGLBSA-N -1 3 382.482 3.636 50 0 GHAAHM CC(C)CC[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000012791281 570714350 /nfs/dbraw/zinc/71/43/50/570714350.db2.gz OEQAZPWGBKHEBT-UHFFFAOYSA-N -1 3 385.121 3.536 50 0 GHAAHM CCOc1ccc(C(=O)OCc2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1 ZINC000003246755 570841037 /nfs/dbraw/zinc/84/10/37/570841037.db2.gz MFNKITQOHXESEM-UHFFFAOYSA-N -1 3 384.457 3.619 50 0 GHAAHM Cc1nc(C)c(CCC(=O)N2CCc3sccc3[C@H]2c2cccs2)c(=O)[n-]1 ZINC000032842970 570851177 /nfs/dbraw/zinc/85/11/77/570851177.db2.gz IKFVOVOGTUHOTL-IBGZPJMESA-N -1 3 399.541 3.617 50 0 GHAAHM Cc1ccc(NC(=O)N2CCc3nc(-c4ccc(F)cc4)[n-]c(=O)c3C2)cc1C ZINC000004720114 570859307 /nfs/dbraw/zinc/85/93/07/570859307.db2.gz CJSMLIAHRPZVRJ-UHFFFAOYSA-N -1 3 392.434 3.783 50 0 GHAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccncc2)c(C)c1 ZINC000102731266 570859572 /nfs/dbraw/zinc/85/95/72/570859572.db2.gz FVAZHGFOSSHRCS-FDFHNCONSA-N -1 3 399.450 3.750 50 0 GHAAHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccncc2)cc1 ZINC000103561056 570886803 /nfs/dbraw/zinc/88/68/03/570886803.db2.gz VSLMKXXFGSJAMB-FDFHNCONSA-N -1 3 399.450 3.695 50 0 GHAAHM CC[C@@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1cc(Cl)c(Br)[n-]1 ZINC000032936298 570948293 /nfs/dbraw/zinc/94/82/93/570948293.db2.gz PCWMRZIYDSQIKD-VHSXEESVSA-N -1 3 391.693 3.767 50 0 GHAAHM O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc(OC(F)(F)F)cc2)N1 ZINC000002151514 570973088 /nfs/dbraw/zinc/97/30/88/570973088.db2.gz BSLISAZEHOCJOB-JKSUJKDBSA-N -1 3 376.334 3.755 50 0 biogenic GHAAHM COc1ccc(-c2cc(C(=O)[N-]c3onc4c3C[C@@H](C)CC4)no2)cc1OC ZINC000046085597 570984718 /nfs/dbraw/zinc/98/47/18/570984718.db2.gz SNFFYQXBPGABNM-NSHDSACASA-N -1 3 383.404 3.724 50 0 GHAAHM CCCCN1Cc2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)cc2C1 ZINC000290954817 843255842 /nfs/dbraw/zinc/25/58/42/843255842.db2.gz NLKLOOSDRYZCNP-UHFFFAOYSA-N -1 3 397.500 3.857 50 0 GHAAHM C[C@@H](S[C@@H](C)C(=O)NC1CC1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000056229999 861466831 /nfs/dbraw/zinc/46/68/31/861466831.db2.gz RTASUKSPDOELNG-ZJUUUORDSA-N -1 3 389.502 3.706 50 0 GHAAHM COc1ccc(-c2nn(C3=C([O-])N(c4ccc(F)cc4)C(=O)C3)c(=S)o2)cc1 ZINC000003330611 862346029 /nfs/dbraw/zinc/34/60/29/862346029.db2.gz ZKIRQVPFBSWTJK-HNNXBMFYSA-N -1 3 399.403 3.525 50 0 GHAAHM CCOC(=O)[C@H](C)Sc1nnc([N-]C(=O)c2c(F)cccc2Cl)s1 ZINC000004079378 862760472 /nfs/dbraw/zinc/76/04/72/862760472.db2.gz GNWVSZZQFVVRKE-ZETCQYMHSA-N -1 3 389.861 3.627 50 0 GHAAHM O=S(=O)([N-]CCOc1ccccc1)c1ccc(Cl)cc1C(F)(F)F ZINC000008389607 856156292 /nfs/dbraw/zinc/15/62/92/856156292.db2.gz IUAZXVMPMCKEFS-UHFFFAOYSA-N -1 3 379.787 3.716 50 0 GHAAHM CC(=O)N(CC(C)C)c1nc(C)c(C(=O)[N-]c2nnc(C(C)(C)C)s2)s1 ZINC000040266989 856717219 /nfs/dbraw/zinc/71/72/19/856717219.db2.gz VJRLLBOEQYYCHX-UHFFFAOYSA-N -1 3 395.554 3.862 50 0 GHAAHM O=S(=O)([N-]CCCOc1ccccc1F)c1cc(Cl)ccc1Cl ZINC000009051299 856734677 /nfs/dbraw/zinc/73/46/77/856734677.db2.gz KALZKXIRTYIGEZ-UHFFFAOYSA-N -1 3 378.252 3.880 50 0 GHAAHM COc1ccc(-c2nnc([N-]C(=O)c3ccc(Br)s3)o2)cc1 ZINC000004276075 862925754 /nfs/dbraw/zinc/92/57/54/862925754.db2.gz IOPPOKRESPIWRR-UHFFFAOYSA-N -1 3 380.223 3.822 50 0 GHAAHM CCOC(=O)[C@]([N-]c1cccc(Cl)c1)(NC(=O)[C@H](C)CC)C(F)(F)F ZINC000002311847 871948477 /nfs/dbraw/zinc/94/84/77/871948477.db2.gz CUKRKFBZOHBYGL-BMIGLBTASA-N -1 3 380.794 3.736 50 0 GHAAHM Fc1ccc([C@@H]2CN(Cn3nc(-c4cccs4)[n-]c3=S)CCO2)cc1 ZINC000023057834 206299368 /nfs/dbraw/zinc/29/93/68/206299368.db2.gz BCVBXTDJEHINFO-AWEZNQCLSA-N -1 3 376.482 3.839 50 0 GHAAHM CCN1c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2OCC(C)(C)C1=O ZINC000009170549 206306717 /nfs/dbraw/zinc/30/67/17/206306717.db2.gz YVSOLBGLEBXNBH-UHFFFAOYSA-N -1 3 388.489 3.567 50 0 GHAAHM Cc1cc(C)c(OCC(=O)N2NC3=C(CCCC3)[C@@]2([O-])C(F)(F)F)c(C)c1 ZINC000001093107 206352482 /nfs/dbraw/zinc/35/24/82/206352482.db2.gz IGDWWHFQEPTYES-RDTXWAMCSA-N -1 3 384.398 3.630 50 0 GHAAHM COc1cccc(C(=O)Nc2ccc(Oc3ccc4c(c3)C(=O)[N-]C4=O)cc2)c1 ZINC000001141354 206358804 /nfs/dbraw/zinc/35/88/04/206358804.db2.gz FKSBGJSMPNLBJK-UHFFFAOYSA-N -1 3 388.379 3.623 50 0 GHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccncc3)c2)cc1 ZINC000017585796 207089516 /nfs/dbraw/zinc/08/95/16/207089516.db2.gz DMDBTVLPVVUSHR-UHFFFAOYSA-N -1 3 381.457 3.752 50 0 GHAAHM CCN1c2ccc([N-]S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2CC1=O ZINC000017288936 207088122 /nfs/dbraw/zinc/08/81/22/207088122.db2.gz XEDQDYVNVXWOFS-UHFFFAOYSA-N -1 3 386.517 3.939 50 0 GHAAHM Cc1noc(C)c1[N-]C(=O)c1ccc([C@@H]2CCCN2C(=O)c2cccn2C)s1 ZINC000020326535 207188485 /nfs/dbraw/zinc/18/84/85/207188485.db2.gz YOHKBXTVCWTFAW-AWEZNQCLSA-N -1 3 398.488 3.921 50 0 GHAAHM CCCCN1C(=O)C[C@H](C(=O)Nc2ccccc2[O-])[C@@H]1c1ccc(OC)cc1 ZINC000022699103 207259150 /nfs/dbraw/zinc/25/91/50/207259150.db2.gz RHBANXRPENRQEC-UWJYYQICSA-N -1 3 382.460 3.729 50 0 GHAAHM Cc1nc2ccc(Cl)cc2cc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000024893224 207297620 /nfs/dbraw/zinc/29/76/20/207297620.db2.gz GMANRTOIGOYJHK-UHFFFAOYSA-N -1 3 389.864 3.820 50 0 GHAAHM CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000083859361 208084498 /nfs/dbraw/zinc/08/44/98/208084498.db2.gz HTXRHFKAQSRSKK-LJQANCHMSA-N -1 3 389.451 3.895 50 0 GHAAHM Cc1cc(N)n(-c2ccc(-c3noc(-c4cc(-c5ccc(C)o5)[n-]n4)n3)cc2)n1 ZINC000095378776 208172812 /nfs/dbraw/zinc/17/28/12/208172812.db2.gz MOINAMXTCWECMT-UHFFFAOYSA-N -1 3 387.403 3.771 50 0 GHAAHM Cc1cc(N)n(-c2ccc(-c3noc(-c4cc(-c5ccc(C)o5)n[n-]4)n3)cc2)n1 ZINC000095378776 208172822 /nfs/dbraw/zinc/17/28/22/208172822.db2.gz MOINAMXTCWECMT-UHFFFAOYSA-N -1 3 387.403 3.771 50 0 GHAAHM CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2ccsc2)CCO1 ZINC000096117450 208263790 /nfs/dbraw/zinc/26/37/90/208263790.db2.gz HFAKBNTYHVAVGT-SMDDNHRTSA-N -1 3 379.507 3.555 50 0 GHAAHM C[C@@H]1CCN(C(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)C[C@@H](C)C1 ZINC000119313083 208466726 /nfs/dbraw/zinc/46/67/26/208466726.db2.gz OFCPTFYNRHHAGJ-KGLIPLIRSA-N -1 3 387.505 3.538 50 0 GHAAHM CCc1cc2c(CN(CC)C[C@H]3COc4ccccc4O3)cc(=O)oc2cc1[O-] ZINC000012803241 570220971 /nfs/dbraw/zinc/22/09/71/570220971.db2.gz GYBAOZHXMRDMAG-KRWDZBQOSA-N -1 3 395.455 3.723 50 0 GHAAHM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3Cl)cc2o1 ZINC000011615618 570236300 /nfs/dbraw/zinc/23/63/00/570236300.db2.gz GQMNUIXFCGKBDY-UHFFFAOYSA-N -1 3 392.742 3.594 50 0 GHAAHM Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000024890739 570331297 /nfs/dbraw/zinc/33/12/97/570331297.db2.gz KTLHELWGGUMLIN-UHFFFAOYSA-N -1 3 393.515 3.804 50 0 GHAAHM O=S(=O)([N-]Cc1ccc(-c2ccco2)o1)c1ccc(Br)s1 ZINC000575609857 570333465 /nfs/dbraw/zinc/33/34/65/570333465.db2.gz IQQQCVKGCXGCDP-UHFFFAOYSA-N -1 3 388.264 3.842 50 0 GHAAHM Cc1c(C)c(C)c(S(=O)(=O)CC(=O)[N-]c2cc(C(C)(C)C)no2)c(C)c1C ZINC000060928982 570346899 /nfs/dbraw/zinc/34/68/99/570346899.db2.gz RPWOFQZOWNKXNL-UHFFFAOYSA-N -1 3 392.521 3.927 50 0 GHAAHM COCCc1ccc(-c2csc(NC(=O)c3ccc4n[n-]nc4c3)n2)cc1 ZINC000010556151 570363666 /nfs/dbraw/zinc/36/36/66/570363666.db2.gz SKQGRGLMNFQEFU-UHFFFAOYSA-N -1 3 379.445 3.523 50 0 GHAAHM CCC(C)(C)[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000006315092 570376801 /nfs/dbraw/zinc/37/68/01/570376801.db2.gz HBBDBDYHCJESQO-UHFFFAOYSA-N -1 3 385.121 3.679 50 0 GHAAHM COCCN1CCCc2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)cc21 ZINC000035588231 570402445 /nfs/dbraw/zinc/40/24/45/570402445.db2.gz CXMOBUIPDBFAMX-UHFFFAOYSA-N -1 3 388.533 3.812 50 0 GHAAHM CS(=O)(=O)[N-]c1ccc(-c2noc(/C=C/c3ccccc3Cl)n2)cc1 ZINC000033276279 570404606 /nfs/dbraw/zinc/40/46/06/570404606.db2.gz BBANMIRYCOGNKP-DHZHZOJOSA-N -1 3 375.837 3.932 50 0 GHAAHM CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)ccc21 ZINC000005099526 570416314 /nfs/dbraw/zinc/41/63/14/570416314.db2.gz JDUKPQKWQCUMOP-UHFFFAOYSA-N -1 3 384.501 3.665 50 0 GHAAHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1cccc(Br)c1)C(=O)C2 ZINC000005249319 570432702 /nfs/dbraw/zinc/43/27/02/570432702.db2.gz HCGSDWMMJYKWLJ-ZBEGNZNMSA-N -1 3 386.311 3.586 50 0 GHAAHM Cc1ccc([C@@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2CCO)cc1 ZINC000005343186 570558082 /nfs/dbraw/zinc/55/80/82/570558082.db2.gz QMOKFKDSSHXVMW-HXUWFJFHSA-N -1 3 397.862 3.590 50 0 GHAAHM CC(C)(C)C(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@@H]1c1ccccc1 ZINC000225517133 570582649 /nfs/dbraw/zinc/58/26/49/570582649.db2.gz LDGMQWXCMYRHIY-LJQANCHMSA-N -1 3 399.516 3.782 50 0 GHAAHM O=C(Nc1cccc(F)c1)c1c([O-])c2c(n(Cc3ccccc3)c1=O)CCCC2 ZINC000005522849 570625890 /nfs/dbraw/zinc/62/58/90/570625890.db2.gz DRFZMQPHAUXBGO-UHFFFAOYSA-N -1 3 392.430 3.872 50 0 GHAAHM O=S(=O)([N-]c1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccc(Cl)cc1 ZINC000044890281 570639425 /nfs/dbraw/zinc/63/94/25/570639425.db2.gz NITXLIWDIFCLEP-MRXNPFEDSA-N -1 3 377.853 3.869 50 0 GHAAHM CCCC(=O)N[C@@]([N-]c1ccc(F)c(Cl)c1)(C(=O)OCC)C(F)(F)F ZINC000005645489 570679133 /nfs/dbraw/zinc/67/91/33/570679133.db2.gz NXTHGGRFKVOGMW-AWEZNQCLSA-N -1 3 384.757 3.629 50 0 GHAAHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000012791003 570714376 /nfs/dbraw/zinc/71/43/76/570714376.db2.gz PAHAWRPEUKTURM-QMMMGPOBSA-N -1 3 385.121 3.679 50 0 GHAAHM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)c1ccncc1 ZINC000012550927 570854248 /nfs/dbraw/zinc/85/42/48/570854248.db2.gz XTNKSWSSENVKJV-AWEZNQCLSA-N -1 3 399.447 3.513 50 0 GHAAHM O=S(=O)([N-]Cc1ccc(Cn2ccnc2)cc1)c1c(Cl)cccc1Cl ZINC000054534163 570967699 /nfs/dbraw/zinc/96/76/99/570967699.db2.gz WRIQUVYGXSPFKH-UHFFFAOYSA-N -1 3 396.299 3.717 50 0 GHAAHM Cc1cc(C)c([N-]c2nnc(SCCS(C)(=O)=O)s2)c(Cl)c1 ZINC000053049923 570980340 /nfs/dbraw/zinc/98/03/40/570980340.db2.gz IVAJJXPDSSOLKA-UHFFFAOYSA-N -1 3 377.944 3.689 50 0 GHAAHM Cc1ccc(-n2ncc3c2nc(SCC(=O)Nc2ccccc2)[n-]c3=O)cc1 ZINC000002717916 861529983 /nfs/dbraw/zinc/52/99/83/861529983.db2.gz LQOIBZBQGINDDU-UHFFFAOYSA-N -1 3 391.456 3.560 50 0 GHAAHM O=C(Nc1ccc2c(c1)CCC2)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000040115359 856668820 /nfs/dbraw/zinc/66/88/20/856668820.db2.gz SEKRENRTFFSJAB-UHFFFAOYSA-N -1 3 399.447 3.696 50 0 GHAAHM CN(Cc1ccco1)Cc1ccc(-c2nc(C3CCOCC3)cc(=O)[n-]2)cc1 ZINC000023479167 206252268 /nfs/dbraw/zinc/25/22/68/206252268.db2.gz VPQCFDGMRYAUCY-UHFFFAOYSA-N -1 3 379.460 3.556 50 0 GHAAHM Cc1ccc(=O)n(C(C(=O)N[C@@H](C)c2ccccc2)=C([O-])c2ccc(F)cc2)c1 ZINC000000819550 206324445 /nfs/dbraw/zinc/32/44/45/206324445.db2.gz OIFOIKKGNJJSNA-HRAATJIYSA-N -1 3 392.430 3.597 50 0 GHAAHM C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)[N-]c3cc(F)ccc3F)ccc2S1 ZINC000015730275 207057593 /nfs/dbraw/zinc/05/75/93/207057593.db2.gz TVPOWKDQAGIJRA-SECBINFHSA-N -1 3 384.429 3.588 50 0 GHAAHM CCOC(=O)c1c(-c2ccc(F)cc2)n[n-]c1N1C(=O)Nc2ccccc2N1O ZINC000020355752 207189812 /nfs/dbraw/zinc/18/98/12/207189812.db2.gz CWGDENQKYQZVLW-UHFFFAOYSA-N -1 3 397.366 3.555 50 0 GHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2cc(C)ccc2OCc2cccc(C)c2)S1 ZINC000020896335 207217861 /nfs/dbraw/zinc/21/78/61/207217861.db2.gz BSOWCIJNNMJGQQ-HXUWFJFHSA-N -1 3 397.500 3.883 50 0 GHAAHM COC(=O)c1ccc([C@@H]2CC(=O)Nc3c2c(=O)[n-]n3C2CCCCCC2)cc1 ZINC000071279431 207932775 /nfs/dbraw/zinc/93/27/75/207932775.db2.gz LPVPOSIPSIMWBR-INIZCTEOSA-N -1 3 383.448 3.982 50 0 GHAAHM Cc1oc(-c2ccccc2Cl)nc1CN1CCC[C@H](c2cc(=O)[n-]cn2)C1 ZINC000072422786 208022577 /nfs/dbraw/zinc/02/25/77/208022577.db2.gz YMCTYFVBZKPNTK-AWEZNQCLSA-N -1 3 384.867 3.766 50 0 GHAAHM COC(=O)C[C@@H](c1ccco1)c1oc(CSc2ccccc2)cc(=O)c1[O-] ZINC000095477899 208193559 /nfs/dbraw/zinc/19/35/59/208193559.db2.gz RFMHAOKALFHUAG-HNNXBMFYSA-N -1 3 386.425 3.926 50 0 GHAAHM Cc1sc2[n-]c(C(=Cc3ccsc3)C(=O)N3CCCC3)nc(=O)c2c1C ZINC000096765497 208320287 /nfs/dbraw/zinc/32/02/87/208320287.db2.gz USJUQNCXOYDEEA-ZROIWOOFSA-N -1 3 385.514 3.826 50 0 GHAAHM CC(C)Cc1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)[n-]c(=O)n1 ZINC000253536782 209042407 /nfs/dbraw/zinc/04/24/07/209042407.db2.gz OOKVZDYPIUXKCY-MRXNPFEDSA-N -1 3 382.489 3.968 50 0 GHAAHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCN(c2ccccc2O)CC1 ZINC000170615637 136198947 /nfs/dbraw/zinc/19/89/47/136198947.db2.gz REQLEDVNPHGXKB-UHFFFAOYSA-N -1 3 388.467 3.651 50 0 GHAAHM CCN1C(=O)CC(C)(C)c2cc(S(=O)(=O)[N-]c3cc(F)ccc3F)ccc21 ZINC000096183046 535426604 /nfs/dbraw/zinc/42/66/04/535426604.db2.gz ZMROKUHEAYHGBD-UHFFFAOYSA-N -1 3 394.443 3.800 50 0 GHAAHM CC(C)N(C[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1)C(=O)OC(C)(C)C ZINC000048293136 570229322 /nfs/dbraw/zinc/22/93/22/570229322.db2.gz XBGNAKMVWPSRML-MRXNPFEDSA-N -1 3 376.497 3.890 50 0 GHAAHM CCOC(=O)c1sc([N-]C(=O)c2cc(-c3ccc(OC)cc3)on2)nc1C ZINC000011916006 570447346 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CCc1nnc([N-]C(=O)c2oc3ccccc3c2CSc2nc[nH]n2)s1 ZINC000006916547 570703212 /nfs/dbraw/zinc/70/32/12/570703212.db2.gz WCTKTOQJAJVJSK-UHFFFAOYSA-N -1 3 386.462 3.509 50 0 GHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)Nc1ccccn1 ZINC000012738184 570707057 /nfs/dbraw/zinc/70/70/57/570707057.db2.gz YXKHIHYTKKWYKZ-UHFFFAOYSA-N -1 3 385.420 3.582 50 0 GHAAHM Cc1ccc(-c2nnc(SCc3noc(-c4ccccc4[O-])n3)n2C)cc1 ZINC000058197119 570718745 /nfs/dbraw/zinc/71/87/45/570718745.db2.gz FFSUUTLOMKTKSV-UHFFFAOYSA-N -1 3 379.445 3.838 50 0 GHAAHM O=c1[n-]nc(SCc2sc3ccccc3c2Cl)n1C[C@@H]1CCCO1 ZINC000058376998 570729789 /nfs/dbraw/zinc/72/97/89/570729789.db2.gz ILPZGLOIUJKZHU-JTQLQIEISA-N -1 3 381.910 3.911 50 0 GHAAHM Cc1nc(Cc2sc(Nc3ccc(C)cc3)nc2[O-])n(-c2ccc(F)cc2)n1 ZINC000065509139 570771806 /nfs/dbraw/zinc/77/18/06/570771806.db2.gz RGZARAXUQXGWAY-QGZVFWFLSA-N -1 3 395.463 3.676 50 0 GHAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccco1 ZINC000101997229 570840404 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/nfs/dbraw/zinc/43/77/59/857437759.db2.gz XBLLLVUZHIFWLG-JTQLQIEISA-N -1 3 378.454 3.811 50 0 GHAAHM O=C(c1ccccc1)N1C[C@@H](COc2ccccc2)O[C@@H](c2ccccc2[O-])O1 ZINC000000710014 206318103 /nfs/dbraw/zinc/31/81/03/206318103.db2.gz RZQUKKIOXLJTJB-WMZHIEFXSA-N -1 3 391.423 3.943 50 0 GHAAHM COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)O[C@@H](C)C(C)(C)C)cc(Cl)c1[O-] ZINC000000716216 206318810 /nfs/dbraw/zinc/31/88/10/206318810.db2.gz NQCWSTXSEFWPAN-ZUZCIYMTSA-N -1 3 396.871 3.660 50 0 GHAAHM N[C@@H](CO[C@@H](c1cccc(F)c1)c1ccccc1OCc1ccccc1)C(=O)[O-] ZINC000013829331 207001762 /nfs/dbraw/zinc/00/17/62/207001762.db2.gz ADUSZEGHFWRTQS-UNMCSNQZSA-N -1 3 395.430 3.923 50 0 in-vitro GHAAHM Cc1ccc(N2C[C@H](c3nnc([N-]C(=O)c4cccs4)s3)CC2=O)cc1 ZINC000013944263 207004796 /nfs/dbraw/zinc/00/47/96/207004796.db2.gz KDBFDGMMZMWGPR-GFCCVEGCSA-N -1 3 384.486 3.681 50 0 GHAAHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)NC(C)C)c(Cl)cc1Cl ZINC000014231712 207016439 /nfs/dbraw/zinc/01/64/39/207016439.db2.gz 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O=C([O-])[C@@H](c1c[nH]c2cc(NC(=O)c3ccccc3)ccc21)N1CCSCC1 ZINC000032094561 207391735 /nfs/dbraw/zinc/39/17/35/207391735.db2.gz LUFHMKXWNJWCAW-LJQANCHMSA-N -1 3 395.484 3.595 50 0 GHAAHM Cc1cc(F)ccc1[N-]C(=O)c1nc(-c2cn(-c3cccc(Cl)c3)nn2)no1 ZINC000065236790 207848657 /nfs/dbraw/zinc/84/86/57/207848657.db2.gz SQUPHAAHSBNJLK-UHFFFAOYSA-N -1 3 398.785 3.671 50 0 GHAAHM CCN(CCO)c1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000095953839 208241122 /nfs/dbraw/zinc/24/11/22/208241122.db2.gz BAWOTLFQIVBZBV-UHFFFAOYSA-N -1 3 389.304 3.613 50 0 GHAAHM O=C1C[C@@H](c2ccccc2C(F)(F)F)c2c(=O)[n-]c(-c3ccccc3)nc2N1 ZINC000017044743 221375857 /nfs/dbraw/zinc/37/58/57/221375857.db2.gz HOCSAKZZSUDYQV-ZDUSSCGKSA-N -1 3 385.345 3.930 50 0 GHAAHM Cc1cccc(C)c1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccncc1 ZINC000245326059 534673266 /nfs/dbraw/zinc/67/32/66/534673266.db2.gz ISIBQCTYOALSME-CEMLEFRQSA-N -1 3 399.450 3.750 50 0 GHAAHM CCCOc1ccc([C@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1OC ZINC000002801915 560188491 /nfs/dbraw/zinc/18/84/91/560188491.db2.gz ATSXTPFQAGOKOC-FXAWDEMLSA-N -1 3 380.444 3.654 50 0 biogenic,in-vitro GHAAHM CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc21 ZINC000032943910 570288698 /nfs/dbraw/zinc/28/86/98/570288698.db2.gz SZEREJCFUIRVJX-NSHDSACASA-N -1 3 396.921 3.988 50 0 GHAAHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCCc1nc2ccccc2s1 ZINC000024883166 570326269 /nfs/dbraw/zinc/32/62/69/570326269.db2.gz WQHJKDXEIVYQPI-UHFFFAOYSA-N -1 3 389.502 3.629 50 0 GHAAHM CN(C)[C@H](C[N-]S(=O)(=O)c1c(F)cccc1F)c1csc2ccccc21 ZINC000575620911 570370070 /nfs/dbraw/zinc/37/00/70/570370070.db2.gz MUDUEQGIKRNBOX-MRXNPFEDSA-N -1 3 396.484 3.761 50 0 GHAAHM COc1ccc(F)cc1S(=O)(=O)[N-]Cc1sc(-c2cccs2)nc1C ZINC000090592832 570381289 /nfs/dbraw/zinc/38/12/89/570381289.db2.gz QVTUSLNNYBEGFI-UHFFFAOYSA-N -1 3 398.506 3.806 50 0 GHAAHM O=C(CSc1nnc(-c2ccco2)[n-]1)Nc1ccc(Br)cc1 ZINC000005522338 570444398 /nfs/dbraw/zinc/44/43/98/570444398.db2.gz SQYQCMNURORVQY-UHFFFAOYSA-N -1 3 379.239 3.558 50 0 GHAAHM O=C(CSc1nc(-c2ccco2)n[n-]1)Nc1ccc(Br)cc1 ZINC000005522338 570444400 /nfs/dbraw/zinc/44/44/00/570444400.db2.gz SQYQCMNURORVQY-UHFFFAOYSA-N -1 3 379.239 3.558 50 0 GHAAHM O=C(CSc1n[n-]c(-c2ccco2)n1)Nc1ccc(Br)cc1 ZINC000005522338 570444404 /nfs/dbraw/zinc/44/44/04/570444404.db2.gz SQYQCMNURORVQY-UHFFFAOYSA-N -1 3 379.239 3.558 50 0 GHAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(F)cc1 ZINC000138431234 570487388 /nfs/dbraw/zinc/48/73/88/570487388.db2.gz FZJBDLOPMUTLQL-PWRODBHTSA-N -1 3 388.398 3.877 50 0 GHAAHM C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](OC(=O)CCC(=O)[O-])c1ccnc2ccccc21 ZINC000005382867 570500061 /nfs/dbraw/zinc/50/00/61/570500061.db2.gz PONBXSSHHMVDIH-LEIHUNCNSA-N -1 3 394.471 3.580 50 0 GHAAHM CCOC(=O)[C@]([N-]c1cccc(Cl)c1)(NC(=O)c1ccco1)C(F)(F)F ZINC000003103580 570504680 /nfs/dbraw/zinc/50/46/80/570504680.db2.gz UFCDDZQVULUUDH-HNNXBMFYSA-N -1 3 390.745 3.597 50 0 GHAAHM Cc1occc1C(=O)Nc1cc(NC(=O)c2cc3c(cc2[O-])OCO3)ccc1F ZINC000048366632 570526335 /nfs/dbraw/zinc/52/63/35/570526335.db2.gz ZYJVJKHTNXJVDM-UHFFFAOYSA-N -1 3 398.346 3.666 50 0 GHAAHM CCc1csc(-c2ccc(S(=O)(=O)[N-]CCN3CCCC[C@@H]3C)s2)n1 ZINC000064755859 570534442 /nfs/dbraw/zinc/53/44/42/570534442.db2.gz WYEZEHZUIZLSIY-ZDUSSCGKSA-N -1 3 399.607 3.587 50 0 GHAAHM Cc1cc(C)cc(N2C[C@@H](c3nnc([N-]C(=O)c4cccs4)s3)CC2=O)c1 ZINC000009199396 570552194 /nfs/dbraw/zinc/55/21/94/570552194.db2.gz PSPQNCDJSVHZGL-ZDUSSCGKSA-N -1 3 398.513 3.989 50 0 GHAAHM COc1ccc([N-]S(=O)(=O)c2cc(C)c(C)cc2C)cc1N1CCCC1=O ZINC000005329635 570554817 /nfs/dbraw/zinc/55/48/17/570554817.db2.gz SRRLYFXRWRFNDX-UHFFFAOYSA-N -1 3 388.489 3.548 50 0 GHAAHM CCCNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(C)cc3C)ccc21 ZINC000064861729 570570030 /nfs/dbraw/zinc/57/00/30/570570030.db2.gz NPTICOSKKWTXJL-UHFFFAOYSA-N -1 3 387.505 3.586 50 0 GHAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(F)cc1 ZINC000011582572 570576498 /nfs/dbraw/zinc/57/64/98/570576498.db2.gz FZJBDLOPMUTLQL-NJDAHSKKSA-N -1 3 388.398 3.877 50 0 GHAAHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C)cc1)c1cccc2ccccc21 ZINC000058024565 570707899 /nfs/dbraw/zinc/70/78/99/570707899.db2.gz AEVXHJMDGQOMML-HXUWFJFHSA-N -1 3 383.469 3.731 50 0 GHAAHM CC(=O)Nc1ccc2c(CSc3n[n-]c(-c4cccs4)n3)cc(=O)oc2c1 ZINC000006945437 570716255 /nfs/dbraw/zinc/71/62/55/570716255.db2.gz PUICUPHCXDKDAQ-UHFFFAOYSA-N -1 3 398.469 3.890 50 0 GHAAHM CCn1c2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)cc2n(CC)c1=O ZINC000064591860 570755937 /nfs/dbraw/zinc/75/59/37/570755937.db2.gz ZTCLZTXTMUGBTM-UHFFFAOYSA-N -1 3 387.505 3.569 50 0 GHAAHM O=c1cc(Cn2cnc(-c3ccccc3)c2-c2cccn2-c2ccccn2)nc[n-]1 ZINC000065380479 570763032 /nfs/dbraw/zinc/76/30/32/570763032.db2.gz NINZZCIDSUTOHU-UHFFFAOYSA-N -1 3 394.438 3.534 50 0 GHAAHM CC(=O)N1CCC2(CC1)N=C(c1ccccc1[O-])C[C@@H](c1ccc(C)cc1)N2 ZINC000065298484 570787586 /nfs/dbraw/zinc/78/75/86/570787586.db2.gz AUSGZYKTPSKTNR-FQEVSTJZSA-N -1 3 377.488 3.563 50 0 biogenic GHAAHM CCNc1c2ccccc2oc(=O)c1[N-]S(=O)(=O)c1ccccc1Cl ZINC000101095467 570812222 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3.617 50 0 GHAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3CCC)cc1 ZINC000102698319 570857253 /nfs/dbraw/zinc/85/72/53/570857253.db2.gz GQPKHYLBDZZBAC-PCCBWWKXSA-N -1 3 394.471 3.954 50 0 GHAAHM COC(=O)[C@@]([O-])(c1cc(C)c(NC(=O)c2ccc(F)cc2)c(C)c1)C(F)(F)F ZINC000003626490 570879173 /nfs/dbraw/zinc/87/91/73/570879173.db2.gz XEOSSQLMADZDCO-SFHVURJKSA-N -1 3 399.340 3.618 50 0 GHAAHM S=c1[n-]c(-c2cccs2)nn1CN1CCC(c2nnc3ccccn32)CC1 ZINC000016873668 570934510 /nfs/dbraw/zinc/93/45/10/570934510.db2.gz LOGDQUKEBFFGGY-UHFFFAOYSA-N -1 3 397.533 3.549 50 0 GHAAHM COCCCN1CCc2nc(SCc3c(F)cccc3Cl)[n-]c(=O)c2C1 ZINC000033287228 570955424 /nfs/dbraw/zinc/95/54/24/570955424.db2.gz ZHXYXCWCYFSUCM-UHFFFAOYSA-N -1 3 397.903 3.662 50 0 GHAAHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@@H]2C[C@@H]2C2CCC2)CC1 ZINC000170653546 570998961 /nfs/dbraw/zinc/99/89/61/570998961.db2.gz YZGZTLAGWKGQAT-HZPDHXFCSA-N -1 3 376.884 3.659 50 0 GHAAHM CCCNc1c2ccccc2oc(=O)c1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000045962136 571008203 /nfs/dbraw/zinc/00/82/03/571008203.db2.gz RQDVFRRRAPJTIM-UHFFFAOYSA-N -1 3 394.399 3.694 50 0 GHAAHM Cc1nc(C)c(CC(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)c(=O)[n-]1 ZINC000055506924 861237913 /nfs/dbraw/zinc/23/79/13/861237913.db2.gz KANFSQXQOIKABL-UHFFFAOYSA-N -1 3 375.856 3.543 50 0 GHAAHM CCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-][C@H](C)CC)c2)cc1 ZINC000003022159 862118934 /nfs/dbraw/zinc/11/89/34/862118934.db2.gz JDIHQCBISWYXIE-CYBMUJFWSA-N -1 3 378.469 3.717 50 0 GHAAHM Cc1csc([C@](O)(CC(=O)Nc2cc(Cl)ccc2[O-])C(F)(F)F)n1 ZINC000057550152 862159776 /nfs/dbraw/zinc/15/97/76/862159776.db2.gz NBSFAOFUIYVJGB-CYBMUJFWSA-N -1 3 380.775 3.589 50 0 GHAAHM Cc1ccc(-c2nc3cc(=O)[n-]n3c(SCCCOc3ccccc3)n2)cc1 ZINC000009640695 857268827 /nfs/dbraw/zinc/26/88/27/857268827.db2.gz BIQKTZVSLSPLMF-UHFFFAOYSA-N -1 3 392.484 3.954 50 0 GHAAHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1ccccc1Cl ZINC000009646551 857277670 /nfs/dbraw/zinc/27/76/70/857277670.db2.gz VEGXCRFKLLHORC-UHFFFAOYSA-N -1 3 395.889 3.820 50 0 GHAAHM COC(=O)c1ccc([C@H]2CC(=O)Nc3c2c(=O)[n-]n3C2CCCCCC2)cc1 ZINC000071279432 857375477 /nfs/dbraw/zinc/37/54/77/857375477.db2.gz LPVPOSIPSIMWBR-MRXNPFEDSA-N -1 3 383.448 3.982 50 0 GHAAHM Cc1c(-c2nsc([N-]C(=O)c3ccco3)n2)nnn1-c1ccc(C)c(C)c1 ZINC000009941143 857380301 /nfs/dbraw/zinc/38/03/01/857380301.db2.gz PKRIEJUGFOCCQK-UHFFFAOYSA-N -1 3 380.433 3.556 50 0 GHAAHM Cc1cc(C)c([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)c(C)c1 ZINC000004270505 862921005 /nfs/dbraw/zinc/92/10/05/862921005.db2.gz WBFBGAHGYJJPLJ-UHFFFAOYSA-N -1 3 384.501 3.638 50 0 GHAAHM CO[C@H](C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@@H]1CCOC1 ZINC000612755745 859888229 /nfs/dbraw/zinc/88/82/29/859888229.db2.gz MEQQBXBSRYPAJL-XIKOKIGWSA-N -1 3 384.457 3.659 50 0 GHAAHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCCCC[C@H]1CC(C)C ZINC000172624011 863819346 /nfs/dbraw/zinc/81/93/46/863819346.db2.gz BFLABLPPFLYMHR-IBGZPJMESA-N -1 3 396.535 3.890 50 0 GHAAHM CO[C@H]1CCN(c2ccc([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)cc2)C1 ZINC000096381854 914448165 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3.925 50 0 GHAAHM O=C(Nc1ccc(Cl)cc1[O-])c1cccn2c(Cc3ccccc3)nnc12 ZINC000021723637 207236742 /nfs/dbraw/zinc/23/67/42/207236742.db2.gz PUEPLSWVFBTRMK-UHFFFAOYSA-N -1 3 378.819 3.931 50 0 GHAAHM CCc1nnsc1C(=O)[N-]c1nc(-c2ccc(NC(C)=O)cc2F)cs1 ZINC000022699400 207259550 /nfs/dbraw/zinc/25/95/50/207259550.db2.gz LISLNXUUUBCRJW-UHFFFAOYSA-N -1 3 391.453 3.574 50 0 GHAAHM CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc3nc(C)cc(C)c3c(=O)[n-]2)cc1 ZINC000024754736 207295357 /nfs/dbraw/zinc/29/53/57/207295357.db2.gz FCMOKMWWGQEEEN-CYBMUJFWSA-N -1 3 396.472 3.669 50 0 GHAAHM O=S(=O)([N-]Cc1cccc(COCc2ccco2)c1)c1ccccc1F ZINC000030429433 207370203 /nfs/dbraw/zinc/37/02/03/207370203.db2.gz RNJLMFVVSIAXSG-UHFFFAOYSA-N -1 3 375.421 3.614 50 0 GHAAHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N3CCc4ccccc43)n[n-]2)s1 ZINC000031066960 207379367 /nfs/dbraw/zinc/37/93/67/207379367.db2.gz WAWAFUKZSSKEIM-ZDUSSCGKSA-N -1 3 381.457 3.581 50 0 GHAAHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N3CCc4ccccc43)[n-]n2)s1 ZINC000031066960 207379374 /nfs/dbraw/zinc/37/93/74/207379374.db2.gz WAWAFUKZSSKEIM-ZDUSSCGKSA-N -1 3 381.457 3.581 50 0 GHAAHM O=C([O-])[C@H](c1c[nH]c2ccc(NC(=O)c3ccccc3)cc21)N1CCSCC1 ZINC000032069745 207388666 /nfs/dbraw/zinc/38/86/66/207388666.db2.gz AFFYTMZIPBFQTJ-IBGZPJMESA-N -1 3 395.484 3.595 50 0 GHAAHM COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2[O-])C12CCCC2 ZINC000032073351 207390378 /nfs/dbraw/zinc/39/03/78/207390378.db2.gz CMGSVQMARXXEKD-HXUWFJFHSA-N -1 3 394.471 3.530 50 0 GHAAHM Cc1nn(C)c(C)c1[C@@H]1SCC(=O)Nc2c1c(=O)[n-]n2C1CCCCC1 ZINC000079480479 208074295 /nfs/dbraw/zinc/07/42/95/208074295.db2.gz LDTDWNMMCIWODX-INIZCTEOSA-N -1 3 375.498 3.868 50 0 GHAAHM CCN(C)[C@@H](C(=O)Nc1cccc(-n2c(C)n[n-]c2=S)c1)c1ccccc1 ZINC000095448364 208183945 /nfs/dbraw/zinc/18/39/45/208183945.db2.gz RTWMKOGUQMRJFC-GOSISDBHSA-N -1 3 381.505 3.870 50 0 GHAAHM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2cnn(C(C)C)c2)S1 ZINC000096116651 208263526 /nfs/dbraw/zinc/26/35/26/208263526.db2.gz IDGNWFWFGBWZNU-GDBMZVCRSA-N -1 3 389.525 3.970 50 0 GHAAHM CC(C)(C)c1cc([N-]C(=O)COC(=O)/C=C\c2cccc3cccnc23)on1 ZINC000096973078 208332412 /nfs/dbraw/zinc/33/24/12/208332412.db2.gz IZKOMBJOLIQUQB-KTKRTIGZSA-N -1 3 379.416 3.715 50 0 GHAAHM O=C(c1cccc(-c2cccc(F)c2[O-])c1)N1CCC[C@H](Cn2ccnc2)C1 ZINC000299783693 209088186 /nfs/dbraw/zinc/08/81/86/209088186.db2.gz WZBYZOFNDOEKFQ-MRXNPFEDSA-N -1 3 379.435 3.947 50 0 GHAAHM Cc1nc(C)c(CCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c(=O)[n-]1 ZINC000016469277 221363552 /nfs/dbraw/zinc/36/35/52/221363552.db2.gz AKTOQCWHKREBSO-UHFFFAOYSA-N -1 3 387.443 3.501 50 0 GHAAHM CCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(F)cc3C)ccc21 ZINC000008840578 136195655 /nfs/dbraw/zinc/19/56/55/136195655.db2.gz FPEOCZICAXFLKP-UHFFFAOYSA-N -1 3 376.453 3.624 50 0 GHAAHM O=C(NCc1ccccc1)[C@@H]1CC12CCN(Cc1ccc([O-])c(Cl)c1)CC2 ZINC000299768443 209085014 /nfs/dbraw/zinc/08/50/14/209085014.db2.gz JKWYUYUPNUMJRJ-SFHVURJKSA-N -1 3 384.907 3.964 50 0 GHAAHM CC(=O)N1CC[C@@H](NC(=O)c2ccc3c(c2[O-])CCCC3)c2ccc(F)cc2C1 ZINC000185689284 570250197 /nfs/dbraw/zinc/25/01/97/570250197.db2.gz RYSWNAUJFVOJCY-OAQYLSRUSA-N -1 3 396.462 3.633 50 0 GHAAHM O=C([O-])CC1SC(=NN=Cc2ccc(Cl)cc2)N(c2ccccc2)C1=O ZINC000252637300 570455418 /nfs/dbraw/zinc/45/54/18/570455418.db2.gz XRNDXSIDTSRKLO-HNNXBMFYSA-N -1 3 387.848 3.653 50 0 GHAAHM Cc1cc(Cl)ccc1OCc1n[n-]c(=S)n1-c1ccc2c(c1)OCCO2 ZINC000006527823 570466102 /nfs/dbraw/zinc/46/61/02/570466102.db2.gz YELGEMOSNAZRNP-UHFFFAOYSA-N -1 3 389.864 3.868 50 0 GHAAHM CCC[C@@H](C)n1[n-]c(=O)c2c1NC(=O)CS[C@H]2c1ccc(OC)c(OC)c1 ZINC000006265230 570474734 /nfs/dbraw/zinc/47/47/34/570474734.db2.gz GFGQMUIWVXDHMW-DIFFPNOSSA-N -1 3 391.493 3.979 50 0 GHAAHM CCCC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1Cl ZINC000006397619 570479193 /nfs/dbraw/zinc/47/91/93/570479193.db2.gz RKQJWPNBCDXFPS-AWEZNQCLSA-N -1 3 394.924 3.909 50 0 GHAAHM Cc1nc(-n2cccc2)sc1C(=O)[N-]c1nnc(Cc2ccccc2)s1 ZINC000061720625 570502949 /nfs/dbraw/zinc/50/29/49/570502949.db2.gz LSHRTLOCJLLLHF-UHFFFAOYSA-N -1 3 381.486 3.937 50 0 GHAAHM COc1ccc(-c2cc(=O)[n-]c(NCCc3c[nH]c4ccc(OC)cc34)n2)cc1 ZINC000009482465 570559038 /nfs/dbraw/zinc/55/90/38/570559038.db2.gz FLWXFWQXQYTSKH-UHFFFAOYSA-N -1 3 390.443 3.590 50 0 GHAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)Nc3cccc(Cl)c3)cc2O1 ZINC000006754622 570571085 /nfs/dbraw/zinc/57/10/85/570571085.db2.gz YDZJLGPIUQMKHD-UHFFFAOYSA-N -1 3 375.808 3.807 50 0 GHAAHM CCc1nc(-c2cc(S(=O)(=O)[N-]c3cc(C)ccc3C)ccc2OC)no1 ZINC000033013352 570628140 /nfs/dbraw/zinc/62/81/40/570628140.db2.gz LJYROEAXAJVXIR-UHFFFAOYSA-N -1 3 387.461 3.725 50 0 GHAAHM Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3NC(=O)c2ccc3n[n-]nc3c2)c1 ZINC000012300731 570635685 /nfs/dbraw/zinc/63/56/85/570635685.db2.gz ADVBFURVILHFRD-SFHVURJKSA-N -1 3 386.459 3.568 50 0 GHAAHM CN1CCC[C@@H](CNC(=O)/C=C/c2ccc(C(=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000685940317 570674921 /nfs/dbraw/zinc/67/49/21/570674921.db2.gz DMGHCBGVEVLRBR-NJFGXWQRSA-N -1 3 378.472 3.597 50 0 GHAAHM O=c1cc2nc(-c3ccccc3)nc(SCCOc3ccc(Cl)cc3)n2[n-]1 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GHAAHM Cc1ccc(NC(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)c([O-])c1 ZINC000017410097 210209522 /nfs/dbraw/zinc/20/95/22/210209522.db2.gz RDKVLXAEUGFYAW-UHFFFAOYSA-N -1 3 388.423 3.869 50 0 GHAAHM Cc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OCc3cccc(Cl)c3)cc1)CC(=O)N2 ZINC000017042751 210201940 /nfs/dbraw/zinc/20/19/40/210201940.db2.gz VNIJBXRPKDLQLB-QGZVFWFLSA-N -1 3 395.846 3.785 50 0 GHAAHM CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1-c1ccccc1[O-] ZINC000013124508 210052098 /nfs/dbraw/zinc/05/20/98/210052098.db2.gz JPHPJGNAVOMZGC-UHFFFAOYSA-N -1 3 386.452 3.849 50 0 GHAAHM Cc1sc2[n-]c(CN3C[C@@H](C)O[C@@H](C)C3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000013096519 210051840 /nfs/dbraw/zinc/05/18/40/210051840.db2.gz JPCNPMACVHYJKA-OKILXGFUSA-N -1 3 383.517 3.878 50 0 GHAAHM COc1ccc(C(=O)N2CCN(c3ccnc4cc(Cl)ccc43)CC2)c([O-])c1 ZINC000013003738 210046306 /nfs/dbraw/zinc/04/63/06/210046306.db2.gz QJILURDBDLYMCC-UHFFFAOYSA-N -1 3 397.862 3.565 50 0 GHAAHM CCCc1ccc(NC(=O)[C@@H]([N-]S(=O)(=O)c2cccs2)C(C)C)cc1 ZINC000012775295 210007512 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O=C([O-])C1(n2cnc3ccccc32)CCN(Cc2cc3ccccc3o2)CC1 ZINC000077297817 211129393 /nfs/dbraw/zinc/12/93/93/211129393.db2.gz JKPWZZWJNSNSPC-UHFFFAOYSA-N -1 3 375.428 3.858 50 0 GHAAHM O=c1[n-]n(C2CCCCC2)c2c1[C@H](c1c[nH]nc1-c1ccccc1)CC(=O)N2 ZINC000067935049 211029549 /nfs/dbraw/zinc/02/95/49/211029549.db2.gz AFLVNHXOVVHFDY-HNNXBMFYSA-N -1 3 377.448 3.958 50 0 GHAAHM Cc1ccc(C[N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)o1 ZINC000020977811 210370870 /nfs/dbraw/zinc/37/08/70/210370870.db2.gz JUYUQJVOOBFHTE-UHFFFAOYSA-N -1 3 392.380 3.802 50 0 GHAAHM Cc1noc(C)c1[N-]C(=O)c1ccc([C@H]2CCCN2C(=O)c2cccn2C)s1 ZINC000020326539 210329793 /nfs/dbraw/zinc/32/97/93/210329793.db2.gz YOHKBXTVCWTFAW-CQSZACIVSA-N -1 3 398.488 3.921 50 0 GHAAHM O=C(C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)Nc1ccccc1[O-] ZINC000024109354 570378895 /nfs/dbraw/zinc/37/88/95/570378895.db2.gz MXOPJQKLKBWSOF-MRXNPFEDSA-N -1 3 382.363 3.781 50 0 GHAAHM CCc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(CC)cc3)ccc2OC)no1 ZINC000035538863 570391128 /nfs/dbraw/zinc/39/11/28/570391128.db2.gz ZXQUUYQULGCICZ-UHFFFAOYSA-N -1 3 387.461 3.671 50 0 GHAAHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000004748589 570402425 /nfs/dbraw/zinc/40/24/25/570402425.db2.gz ICLOVZLMYFNFMJ-UHFFFAOYSA-N -1 3 396.468 3.889 50 0 GHAAHM O=C1CCc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc3c2N1CC3 ZINC000005153545 570429446 /nfs/dbraw/zinc/42/94/46/570429446.db2.gz WQUDQULTCSIXDQ-UHFFFAOYSA-N -1 3 397.283 3.630 50 0 GHAAHM O=C(c1cccc2ccccc21)N1CCc2nc(-c3cccc(F)c3)[n-]c(=O)c2C1 ZINC000035828933 570459260 /nfs/dbraw/zinc/45/92/60/570459260.db2.gz BKYPQGLSPBGPNQ-UHFFFAOYSA-N -1 3 399.425 3.928 50 0 GHAAHM COc1cc([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)ccc1OC(C)C ZINC000002766058 570514826 /nfs/dbraw/zinc/51/48/26/570514826.db2.gz XSQRHECHQUSESB-XLIONFOSSA-N -1 3 380.444 3.652 50 0 biogenic GHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)cc1C(C)(C)C ZINC000008132487 570522514 /nfs/dbraw/zinc/52/25/14/570522514.db2.gz RFTOZMDYWBTIJK-UHFFFAOYSA-N -1 3 376.478 3.752 50 0 GHAAHM O=C([O-])[C@H]1CCC(=O)N(C2CCN(Cc3ccccc3)CC2)[C@@H]1c1ccccc1 ZINC000008729922 570538418 /nfs/dbraw/zinc/53/84/18/570538418.db2.gz VCJFXNVVJSJGQM-JTHBVZDNSA-N -1 3 392.499 3.716 50 0 GHAAHM O=C(COCc1cc(-c2ccc(F)cc2)on1)Nc1cc(Cl)ccc1[O-] ZINC000006736766 570559160 /nfs/dbraw/zinc/55/91/60/570559160.db2.gz NARHYRJENQYWOU-UHFFFAOYSA-N -1 3 376.771 3.995 50 0 GHAAHM O=C(NCc1ccc(F)c(Cn2ccnc2)c1)c1cc2ccccc2cc1[O-] ZINC000036396870 570680833 /nfs/dbraw/zinc/68/08/33/570680833.db2.gz MXZNTHGDYPAFPH-UHFFFAOYSA-N -1 3 375.403 3.859 50 0 GHAAHM Cc1cc(=O)c(C(=O)Nc2ccccc2[O-])nn1-c1cccc(C(F)(F)F)c1 ZINC000014704298 570683145 /nfs/dbraw/zinc/68/31/45/570683145.db2.gz HUERKYHDJKJFGZ-UHFFFAOYSA-N -1 3 389.333 3.518 50 0 GHAAHM Cc1c(C(=O)[N-]c2ccccc2SC(F)F)sc2ncn(C)c(=O)c12 ZINC000032768601 570803537 /nfs/dbraw/zinc/80/35/37/570803537.db2.gz VNDBMOFLQPIGIM-UHFFFAOYSA-N -1 3 381.429 3.870 50 0 GHAAHM COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2n[n-]c(-c3cccs3)n2)c1C ZINC000006035468 570815759 /nfs/dbraw/zinc/81/57/59/570815759.db2.gz FUPOKLAWBYCZAG-JTQLQIEISA-N -1 3 390.490 3.628 50 0 GHAAHM O=S(=O)([N-]CCCn1cnc2ccccc21)c1c(Cl)cccc1Cl ZINC000007286634 570824846 /nfs/dbraw/zinc/82/48/46/570824846.db2.gz IPMJCZXFORGWJR-UHFFFAOYSA-N -1 3 384.288 3.712 50 0 GHAAHM C[C@@H]1CCCCN1Cc1cc(=O)n2nc(-c3ccc(C(C)(C)C)cc3)[n-]c2n1 ZINC000101747742 570832034 /nfs/dbraw/zinc/83/20/34/570832034.db2.gz UOAXNJYLCYNQRC-OAHLLOKOSA-N -1 3 379.508 3.757 50 0 GHAAHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)-c2oncc2CO3)cc1Cl ZINC000033171251 570835719 /nfs/dbraw/zinc/83/57/19/570835719.db2.gz HJJWYGGKZXCSJJ-UHFFFAOYSA-N -1 3 392.820 3.697 50 0 GHAAHM Cc1c([O-])ccc2c(C)c(CC(=O)NCCc3ccc(Cl)cc3)c(=O)oc12 ZINC000004540683 570853313 /nfs/dbraw/zinc/85/33/13/570853313.db2.gz IEDAAJMVLLQUNM-UHFFFAOYSA-N -1 3 385.847 3.670 50 0 GHAAHM C[C@@H](Sc1ccc2c(c1)CCC2)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000012560586 570865111 /nfs/dbraw/zinc/86/51/11/570865111.db2.gz WBQAYKDJGKNKPX-CYBMUJFWSA-N -1 3 375.515 3.910 50 0 GHAAHM O=S(=O)([N-]Cc1ccccc1OC(F)F)c1ccc(Br)s1 ZINC000014208453 570903625 /nfs/dbraw/zinc/90/36/25/570903625.db2.gz HWILCGHRYDOLLF-UHFFFAOYSA-N -1 3 398.250 3.591 50 0 GHAAHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3C)c(C)c1C ZINC000016975869 570921106 /nfs/dbraw/zinc/92/11/06/570921106.db2.gz HSZYWQJGUAEEER-UHFFFAOYSA-N -1 3 386.517 3.939 50 0 GHAAHM CC(C)(C)OC(=O)NC1(C[N-]S(=O)(=O)c2cccs2)CCCCCC1 ZINC000032935847 570947953 /nfs/dbraw/zinc/94/79/53/570947953.db2.gz VJHOHGQWAYSIPZ-UHFFFAOYSA-N -1 3 388.555 3.644 50 0 GHAAHM Cc1nc(C)c(CC(=O)N[C@H](c2ccccc2)c2cccc3ccccc32)c(=O)[n-]1 ZINC000111001423 570960670 /nfs/dbraw/zinc/96/06/70/570960670.db2.gz KZFATYOICPCBAP-XMMPIXPASA-N -1 3 397.478 3.988 50 0 GHAAHM O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(OC(F)(F)F)cc2)N1 ZINC000002151517 570973029 /nfs/dbraw/zinc/97/30/29/570973029.db2.gz BSLISAZEHOCJOB-CVEARBPZSA-N -1 3 376.334 3.755 50 0 biogenic GHAAHM Cc1cc(Cl)ccc1OCC(=O)N1NC2=C(CCCC2)[C@]1([O-])C(F)(F)F ZINC000033327055 570981284 /nfs/dbraw/zinc/98/12/84/570981284.db2.gz CQHICGLQDZKYRI-WBMJQRKESA-N -1 3 390.789 3.667 50 0 GHAAHM CC1(C)CN(Cc2cccc(-c3nc(-c4ccccc4)cc(=O)[n-]3)c2)CCO1 ZINC000023506529 837436605 /nfs/dbraw/zinc/43/66/05/837436605.db2.gz KQRVJYJFVVLWKS-UHFFFAOYSA-N -1 3 375.472 3.715 50 0 GHAAHM C[C@@H](S[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1)C(=O)NC1CC1 ZINC000056230000 861468722 /nfs/dbraw/zinc/46/87/22/861468722.db2.gz RTASUKSPDOELNG-VHSXEESVSA-N -1 3 389.502 3.706 50 0 GHAAHM COc1ccc(NC(=O)C2CCC2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000008352298 856137193 /nfs/dbraw/zinc/13/71/93/856137193.db2.gz KMEUVJSHWZXGBZ-UHFFFAOYSA-N -1 3 394.880 3.888 50 0 GHAAHM O=C(COc1ccc(Cl)cc1C=C1SC(=O)[N-]C1=O)Nc1ccccc1 ZINC000004316855 862955563 /nfs/dbraw/zinc/95/55/63/862955563.db2.gz ZVMAACYNAYELJS-DHDCSXOGSA-N -1 3 388.832 3.681 50 0 GHAAHM O=C([O-])c1ccc(CCN2CCN(C/C=C/c3ccc(Cl)cc3)CC2)cc1 ZINC000019363819 210243785 /nfs/dbraw/zinc/24/37/85/210243785.db2.gz YQIGCNRBMYEJID-OWOJBTEDSA-N -1 3 384.907 3.912 50 0 in-vitro GHAAHM O=C(Nc1ccccc1[O-])C1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000012791477 210010090 /nfs/dbraw/zinc/01/00/90/210010090.db2.gz NWDIOWHIIQTYON-UHFFFAOYSA-N -1 3 377.444 3.898 50 0 GHAAHM CCOC(=O)c1sc2[n-]c(CNc3ccc(Cl)cc3)nc(=O)c2c1C ZINC000008715517 209793618 /nfs/dbraw/zinc/79/36/18/209793618.db2.gz FKVLBDCJYWTNGN-UHFFFAOYSA-N -1 3 377.853 3.735 50 0 GHAAHM CCCOc1ccc([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1OC ZINC000002801916 209386453 /nfs/dbraw/zinc/38/64/53/209386453.db2.gz ATSXTPFQAGOKOC-XLIONFOSSA-N -1 3 380.444 3.654 50 0 biogenic,in-vitro GHAAHM CC(C)(C)C(=O)N[C@H](NC(=S)Nc1ccccc1[O-])C(Cl)(Cl)Cl ZINC000002707030 209378150 /nfs/dbraw/zinc/37/81/50/209378150.db2.gz XOMJXSPJIQRWHK-SNVBAGLBSA-N -1 3 398.743 3.537 50 0 GHAAHM Cc1cccc(C(=O)N2N=C(c3ccc(Cl)cc3)C[C@@]2(O)C(F)(F)F)c1[O-] ZINC000001213883 209315186 /nfs/dbraw/zinc/31/51/86/209315186.db2.gz HHDUOMDEYPIBRA-QGZVFWFLSA-N -1 3 398.768 3.855 50 0 GHAAHM COc1ccc(CC(=O)N2NC(C3CCCCC3)=C[C@@]2([O-])C(F)(F)F)cc1 ZINC000001101550 209299905 /nfs/dbraw/zinc/29/99/05/209299905.db2.gz GKQXIYCJHUCVMP-GOSISDBHSA-N -1 3 384.398 3.657 50 0 GHAAHM O=S(=O)([N-]c1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000000869668 209274798 /nfs/dbraw/zinc/27/47/98/209274798.db2.gz DDKVMRFIAAFTPX-UHFFFAOYSA-N -1 3 397.452 3.838 50 0 GHAAHM CCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc(Br)cc2)N1 ZINC000000845853 209272189 /nfs/dbraw/zinc/27/21/89/209272189.db2.gz KRPNRYVLFLOHNN-ZDUSSCGKSA-N -1 3 379.176 3.702 50 0 GHAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000229949902 211956372 /nfs/dbraw/zinc/95/63/72/211956372.db2.gz MPPRMKQPZPPZQF-PWRODBHTSA-N -1 3 388.398 3.877 50 0 GHAAHM Cc1cc([N-]C(=O)c2cc(S(=O)(=O)Nc3ccccc3Cl)cs2)no1 ZINC000006681809 211578183 /nfs/dbraw/zinc/57/81/83/211578183.db2.gz NGLCXYYWPZBTPN-UHFFFAOYSA-N -1 3 397.865 3.751 50 0 GHAAHM O=C1[C@@H]2C(c3ccccc3Cl)=NOC2=C([O-])N1c1cc(Cl)cc(Cl)c1 ZINC000101359161 211398510 /nfs/dbraw/zinc/39/85/10/211398510.db2.gz ILDFWEXBSJJRQS-UKRRQHHQSA-N -1 3 395.629 3.939 50 0 GHAAHM CCc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2cc(F)ccc2Cl)n1 ZINC000096379816 211338658 /nfs/dbraw/zinc/33/86/58/211338658.db2.gz MSJLYRUEOJCCOD-UHFFFAOYSA-N -1 3 398.847 3.837 50 0 GHAAHM O=C(c1c[n-]c2c(F)cccc2c1=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000096118471 211302928 /nfs/dbraw/zinc/30/29/28/211302928.db2.gz PWULDMZVZIDGMC-UHFFFAOYSA-N -1 3 390.418 3.563 50 0 GHAAHM CC1(C)C[C@@]1(C(=O)NCCc1cc(=O)[n-]c(-c2ccccc2)n1)c1cccs1 ZINC000067841595 211024828 /nfs/dbraw/zinc/02/48/28/211024828.db2.gz SHPBGMULCBJYAW-QFIPXVFZSA-N -1 3 393.512 3.525 50 0 GHAAHM Cc1noc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3Cl)c2)n1 ZINC000021113216 210378588 /nfs/dbraw/zinc/37/85/88/210378588.db2.gz ZCQBDAWWHDYXKH-UHFFFAOYSA-N -1 3 381.816 3.947 50 0 GHAAHM Cc1nc(N2CCC(C)CC2)ncc1-c1cc(=O)[n-]c(Nc2ccc(F)cc2)n1 ZINC000039383670 132390880 /nfs/dbraw/zinc/39/08/80/132390880.db2.gz PGYLLICAYMUBSH-UHFFFAOYSA-N -1 3 394.454 3.654 50 0 GHAAHM O=S(=O)([N-]C1(c2ccc(Br)cc2)CC1)c1cc(F)cc(F)c1 ZINC000048278693 570230689 /nfs/dbraw/zinc/23/06/89/570230689.db2.gz OLPDAHHUDODFQW-UHFFFAOYSA-N -1 3 388.233 3.695 50 0 GHAAHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1nc(C)c(-c3ccccn3)s1)c2=O ZINC000048332064 570238771 /nfs/dbraw/zinc/23/87/71/570238771.db2.gz GSTUIAYYTFPJAI-UHFFFAOYSA-N -1 3 392.440 3.616 50 0 GHAAHM COc1ccc2c(c1)ncc(C(=O)Nc1nc(C)c(-c3ccccn3)s1)c2[O-] ZINC000048332064 570238775 /nfs/dbraw/zinc/23/87/75/570238775.db2.gz GSTUIAYYTFPJAI-UHFFFAOYSA-N -1 3 392.440 3.616 50 0 GHAAHM Cc1sc2nc(-c3ccc(C(=O)Nc4ncccc4[O-])cc3)nc(N)c2c1C ZINC000022102369 570305987 /nfs/dbraw/zinc/30/59/87/570305987.db2.gz GXKCFFQVGASHBR-UHFFFAOYSA-N -1 3 391.456 3.910 50 0 GHAAHM CCOC(=O)c1c(C)oc([N-]C(=O)Nc2ccc(F)cc2)c1C(=O)OCC ZINC000003136286 570330378 /nfs/dbraw/zinc/33/03/78/570330378.db2.gz VLAUGXDDTDVTHS-UHFFFAOYSA-N -1 3 378.356 3.725 50 0 GHAAHM O=c1c2ccccc2nc(/C=C/c2ccc3c(c2)OCO3)n1-c1ccccc1[O-] ZINC000004027533 570354816 /nfs/dbraw/zinc/35/48/16/570354816.db2.gz PUHIQNTYRWZUEH-ZRDIBKRKSA-N -1 3 384.391 3.990 50 0 biogenic GHAAHM CC(C)CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccccc2Br)N1 ZINC000004163607 570360494 /nfs/dbraw/zinc/36/04/94/570360494.db2.gz HFIXXILDTMJBLW-CQSZACIVSA-N -1 3 393.203 3.948 50 0 GHAAHM CCCN1CCCc2cc(CC[N-]S(=O)(=O)c3ccc(F)cc3F)ccc21 ZINC000035588146 570402487 /nfs/dbraw/zinc/40/24/87/570402487.db2.gz LWLOSCMDCOXFCW-UHFFFAOYSA-N -1 3 394.487 3.648 50 0 GHAAHM COc1cc(C(=O)O[C@H](C)C(=O)[N-]c2cc(C)no2)ccc1OCCC(C)C ZINC000010993632 570416999 /nfs/dbraw/zinc/41/69/99/570416999.db2.gz BTEGVIIGVPGKSB-CQSZACIVSA-N -1 3 390.436 3.601 50 0 GHAAHM O=C(Nc1ccc(O)cc1)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000130969520 570465210 /nfs/dbraw/zinc/46/52/10/570465210.db2.gz KQUPAWDSLUNMAA-UHFFFAOYSA-N -1 3 394.518 3.707 50 0 GHAAHM Cc1csc(-c2cc(S(=O)(=O)[N-]c3cc(F)ccc3F)c(C)n2C)n1 ZINC000064668177 570514393 /nfs/dbraw/zinc/51/43/93/570514393.db2.gz FBMJORYARBSKOJ-UHFFFAOYSA-N -1 3 383.445 3.844 50 0 GHAAHM CCc1ccccc1N1C[C@H](c2nnc([N-]C(=O)c3cccs3)s2)CC1=O ZINC000009199401 570552292 /nfs/dbraw/zinc/55/22/92/570552292.db2.gz YYOMBKSNINTKEQ-CYBMUJFWSA-N -1 3 398.513 3.935 50 0 GHAAHM O=C(c1cc(-c2ccccc2)nc2ccccc21)N1NC=C[C@]1([O-])C(F)(F)F ZINC000005445512 570595087 /nfs/dbraw/zinc/59/50/87/570595087.db2.gz GLWBTEZTYYNTDS-IBGZPJMESA-N -1 3 385.345 3.984 50 0 GHAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(C)=O)cc1 ZINC000065020819 570647971 /nfs/dbraw/zinc/64/79/71/570647971.db2.gz YGJDKRZYYVTISC-UHFFFAOYSA-N -1 3 388.489 3.530 50 0 GHAAHM Cc1oc(-c2ccccc2Cl)nc1CSc1nc2c(nc[n-]c2=O)n1C ZINC000012372657 570648257 /nfs/dbraw/zinc/64/82/57/570648257.db2.gz TVDTZWNJPPHLKX-UHFFFAOYSA-N -1 3 387.852 3.566 50 0 biogenic,in-vitro GHAAHM O=C([N-]c1nc2ccccc2s1)c1cc2c(nc3ccccn3c2=O)s1 ZINC000006864999 570654572 /nfs/dbraw/zinc/65/45/72/570654572.db2.gz RRKVLWUVMJSDTJ-UHFFFAOYSA-N -1 3 378.438 3.771 50 0 GHAAHM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CC2)cc1 ZINC000006866440 570655508 /nfs/dbraw/zinc/65/55/08/570655508.db2.gz KSCAITCTDIYVPD-AWEZNQCLSA-N -1 3 384.501 3.737 50 0 GHAAHM Cc1cccc(OCCSc2nc(-c3ccccc3)nc3cc(=O)[n-]n32)c1 ZINC000006915625 570706099 /nfs/dbraw/zinc/70/60/99/570706099.db2.gz MXGIAOROCXLELM-UHFFFAOYSA-N -1 3 378.457 3.564 50 0 GHAAHM [O-]c1ccccc1-c1nc(CSc2nnc(N3CCCCC3)s2)no1 ZINC000058210124 570720518 /nfs/dbraw/zinc/72/05/18/570720518.db2.gz OUBADIHCGCFLCK-UHFFFAOYSA-N -1 3 375.479 3.576 50 0 GHAAHM O=S(=O)([N-]c1ccc(N2CCOCC2)cc1)c1ccccc1-c1ccccc1 ZINC000032754896 570797778 /nfs/dbraw/zinc/79/77/78/570797778.db2.gz VOSVXTVCVDTVSH-UHFFFAOYSA-N -1 3 394.496 3.991 50 0 GHAAHM CCc1ccccc1NCc1cc(=O)n2nc(NCc3ccc(C)cc3)[n-]c2n1 ZINC000101796115 570834527 /nfs/dbraw/zinc/83/45/27/570834527.db2.gz VPOVTMWVJZUUQM-UHFFFAOYSA-N -1 3 388.475 3.513 50 0 GHAAHM Cc1cc([O-])c(C(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)n1C[C@H]1CCCO1 ZINC000004851076 570932564 /nfs/dbraw/zinc/93/25/64/570932564.db2.gz PCTUJZPWTBCRMR-GFCCVEGCSA-N -1 3 397.258 3.600 50 0 GHAAHM O=S(=O)([N-]c1ccccc1F)c1c[nH]c(-c2nnc(-c3ccccc3)o2)c1 ZINC000046914129 570936508 /nfs/dbraw/zinc/93/65/08/570936508.db2.gz NRNMAHLRFABBTN-UHFFFAOYSA-N -1 3 384.392 3.672 50 0 GHAAHM CN(C)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1cccs1 ZINC000047031689 570938492 /nfs/dbraw/zinc/93/84/92/570938492.db2.gz SQSDBOUAJJPHSZ-GFCCVEGCSA-N -1 3 379.334 3.636 50 0 GHAAHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)Oc3cccc(Cl)c3)c2)n1 ZINC000047317631 570953649 /nfs/dbraw/zinc/95/36/49/570953649.db2.gz VCAMYWPGEBHJKD-CYBMUJFWSA-N -1 3 383.835 3.805 50 0 GHAAHM O=S(=O)([N-]Cc1ccc([C@@H](O)c2ccccc2)s1)c1ccc(F)c(F)c1 ZINC000211090831 570968966 /nfs/dbraw/zinc/96/89/66/570968966.db2.gz DBZYTTVAHUTVIT-SFHVURJKSA-N -1 3 395.452 3.587 50 0 GHAAHM O=C([N-]c1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1cccc[n+]1[O-] ZINC000045039410 570986266 /nfs/dbraw/zinc/98/62/66/570986266.db2.gz GNRASQNWSBJOJT-UHFFFAOYSA-N -1 3 379.363 3.638 50 0 GHAAHM Cc1cc(Br)c([O-])c(C(=O)NC[C@@H](c2cccs2)N(C)C)c1 ZINC000084074623 570995270 /nfs/dbraw/zinc/99/52/70/570995270.db2.gz PJUKKWGFOWZLAF-ZDUSSCGKSA-N -1 3 383.311 3.557 50 0 GHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CCCCC1 ZINC000007604446 570998022 /nfs/dbraw/zinc/99/80/22/570998022.db2.gz BUORCPLQMAZLIR-UHFFFAOYSA-N -1 3 376.453 3.561 50 0 GHAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1-c1nc(CC)no1 ZINC000046020129 571012172 /nfs/dbraw/zinc/01/21/72/571012172.db2.gz XFWMGYRZXKJSLP-UHFFFAOYSA-N -1 3 387.461 3.807 50 0 GHAAHM CCCN(Cc1nnc(-c2ccco2)o1)Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000057703771 862222282 /nfs/dbraw/zinc/22/22/82/862222282.db2.gz VKQWTCXKRBAGGW-UHFFFAOYSA-N -1 3 395.415 3.862 50 0 GHAAHM Cc1ccc(C)c(NC(=O)CSc2nnc([N-]C(=O)c3ccco3)s2)c1 ZINC000004077930 862759400 /nfs/dbraw/zinc/75/94/00/862759400.db2.gz NWKYSTMPNWNYJH-UHFFFAOYSA-N -1 3 388.474 3.731 50 0 GHAAHM COc1ccc(C2N=NC(=S)N2[N-]C(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000096593903 860995670 /nfs/dbraw/zinc/99/56/70/860995670.db2.gz LUBIQOGTKGQVIQ-UHFFFAOYSA-N -1 3 395.271 3.933 50 0 GHAAHM 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382.363 3.839 50 0 GHAAHM CC[C@@]1(c2ccccc2)[N-]C(=O)N(Cc2c(F)c(F)c(F)c(F)c2F)C1=O ZINC000008328175 570373105 /nfs/dbraw/zinc/37/31/05/570373105.db2.gz STDIHCGJORZPHI-SFHVURJKSA-N -1 3 384.304 3.739 50 0 GHAAHM O=C(CCc1ccc(Cl)cc1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000024774989 570392922 /nfs/dbraw/zinc/39/29/22/570392922.db2.gz GUOQUTIEURVKQE-UHFFFAOYSA-N -1 3 386.879 3.856 50 0 GHAAHM O=C(Nc1nnc(SCc2ccc(Cl)cc2)[n-]1)c1cnc2ccccc2n1 ZINC000006646366 570515065 /nfs/dbraw/zinc/51/50/65/570515065.db2.gz PUZFBYHYQZNNDM-UHFFFAOYSA-N -1 3 396.863 3.946 50 0 GHAAHM O=C(Nc1nc(SCc2ccc(Cl)cc2)n[n-]1)c1cnc2ccccc2n1 ZINC000006646366 570515066 /nfs/dbraw/zinc/51/50/66/570515066.db2.gz PUZFBYHYQZNNDM-UHFFFAOYSA-N -1 3 396.863 3.946 50 0 GHAAHM O=C(Nc1n[n-]c(SCc2ccc(Cl)cc2)n1)c1cnc2ccccc2n1 ZINC000006646366 570515069 /nfs/dbraw/zinc/51/50/69/570515069.db2.gz PUZFBYHYQZNNDM-UHFFFAOYSA-N -1 3 396.863 3.946 50 0 GHAAHM CCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2)CC1 ZINC000033274660 570523357 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GHAAHM C[C@H]1CSc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2NC1=O ZINC000015730822 210165873 /nfs/dbraw/zinc/16/58/73/210165873.db2.gz OTAMTWRZHKDGBP-JTQLQIEISA-N -1 3 382.894 3.821 50 0 GHAAHM Cc1cc(C)n2nc(C(=O)[N-]c3nc(-c4ccc5c(c4)CCC5)cs3)nc2n1 ZINC000014603099 210121784 /nfs/dbraw/zinc/12/17/84/210121784.db2.gz KQQDQRTXRRIEJL-UHFFFAOYSA-N -1 3 390.472 3.606 50 0 GHAAHM CN(Cc1cnn(Cc2ccccc2)c1)Cn1nc(-c2ccccc2)[n-]c1=S ZINC000014187238 210109404 /nfs/dbraw/zinc/10/94/04/210109404.db2.gz CXPZGCWCXMJCDR-UHFFFAOYSA-N -1 3 390.516 3.942 50 0 GHAAHM O=S(=O)([N-]Cc1nc(-c2cccs2)no1)c1cc(Cl)ccc1Cl ZINC000013736264 210086863 /nfs/dbraw/zinc/08/68/63/210086863.db2.gz WPISWHFWUSMIAV-UHFFFAOYSA-N -1 3 390.273 3.583 50 0 GHAAHM COc1ccc(CCNCc2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1OC ZINC000013722895 210085146 /nfs/dbraw/zinc/08/51/46/210085146.db2.gz URWFDIMWYHWOLJ-UHFFFAOYSA-N -1 3 381.428 3.994 50 0 GHAAHM O=S(=O)([N-]Cc1ccc(Cn2cccn2)cc1)c1c(Cl)cccc1Cl ZINC000013021136 210048041 /nfs/dbraw/zinc/04/80/41/210048041.db2.gz QDQMJOYCLUZNEI-UHFFFAOYSA-N -1 3 396.299 3.717 50 0 GHAAHM Cc1ccc(S(=O)(=O)NN=c2[n-]cc(C(F)(F)F)cc2Cl)c(C)c1 ZINC000012814522 210014776 /nfs/dbraw/zinc/01/47/76/210014776.db2.gz MDIDRJCJHFDUPC-UHFFFAOYSA-N -1 3 379.791 3.676 50 0 GHAAHM CCOc1cc(C=CC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc(Cl)c1OC ZINC000012794384 210011937 /nfs/dbraw/zinc/01/19/37/210011937.db2.gz GWJGOCOBNHOTAF-BQYQJAHWSA-N -1 3 399.838 3.579 50 0 GHAAHM CCOc1cc(C=CC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc(Cl)c1OC ZINC000012794384 210011940 /nfs/dbraw/zinc/01/19/40/210011940.db2.gz GWJGOCOBNHOTAF-BQYQJAHWSA-N -1 3 399.838 3.579 50 0 GHAAHM CN1CCc2cc(I)c([O-])cc2[C@H](c2ccccc2)C1 ZINC000002559954 209370100 /nfs/dbraw/zinc/37/01/00/209370100.db2.gz JGBTWNOVLISURM-HNNXBMFYSA-N -1 3 379.241 3.617 50 0 GHAAHM O=C(CSc1n[n-]c(-c2cccs2)n1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000002654210 209375563 /nfs/dbraw/zinc/37/55/63/209375563.db2.gz LLFZRNKKMHBASL-UHFFFAOYSA-N -1 3 396.400 3.586 50 0 GHAAHM Cc1ccc(Cl)cc1-n1ncc2c3nnc(-c4ccccc4[O-])n3cnc21 ZINC000002407802 209363085 /nfs/dbraw/zinc/36/30/85/209363085.db2.gz HGUHSCCAAIGEBY-UHFFFAOYSA-N -1 3 376.807 3.798 50 0 GHAAHM Cc1cc(OCC(=O)N2NC3=C(CCCC3)[C@@]2([O-])C(F)(F)F)ccc1Cl ZINC000001151704 209306107 /nfs/dbraw/zinc/30/61/07/209306107.db2.gz KJKDKGWDCIMMLR-BLLLJJGKSA-N -1 3 390.789 3.667 50 0 GHAAHM Cc1nn(-c2ccc(C)cc2)c2ncc(C(=O)N3c4ccccc4C[C@@H]3C)c([O-])c12 ZINC000009316371 209263961 /nfs/dbraw/zinc/26/39/61/209263961.db2.gz BALNOSHYLHUVKZ-HNNXBMFYSA-N -1 3 398.466 3.922 50 0 GHAAHM CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2cccs2)CCO1 ZINC000096117907 211302528 /nfs/dbraw/zinc/30/25/28/211302528.db2.gz OTUPUQZPPFEBOK-YGRLFVJLSA-N -1 3 379.507 3.555 50 0 GHAAHM COc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(c4cccc(Cl)c4)CC3)c2c1 ZINC000020731921 210359095 /nfs/dbraw/zinc/35/90/95/210359095.db2.gz XQQWYWYFSJVSCM-HXUWFJFHSA-N -1 3 399.878 3.778 50 0 GHAAHM O=S(=O)([N-]C[C@H](c1ccccc1Cl)N1CCCC1)c1ccccc1F ZINC000048332483 527226933 /nfs/dbraw/zinc/22/69/33/527226933.db2.gz HCAOXCYEUYUASF-QGZVFWFLSA-N -1 3 382.888 3.595 50 0 GHAAHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccc(C2SCCCS2)cc1 ZINC000048288580 570228021 /nfs/dbraw/zinc/22/80/21/570228021.db2.gz ZWZDUGCQYLAPBH-UHFFFAOYSA-N -1 3 383.502 3.988 50 0 GHAAHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccc(C2SCCCS2)cc1 ZINC000048288580 570228025 /nfs/dbraw/zinc/22/80/25/570228025.db2.gz ZWZDUGCQYLAPBH-UHFFFAOYSA-N -1 3 383.502 3.988 50 0 GHAAHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1ccc(C2SCCCS2)cc1 ZINC000048288580 570228027 /nfs/dbraw/zinc/22/80/27/570228027.db2.gz ZWZDUGCQYLAPBH-UHFFFAOYSA-N -1 3 383.502 3.988 50 0 GHAAHM Cc1c(C(=O)[N-]c2ncn(Cc3ccccc3)n2)sc2nc(C)nc(C)c12 ZINC000048333086 570237737 /nfs/dbraw/zinc/23/77/37/570237737.db2.gz ZYAGQULKHXMCMN-UHFFFAOYSA-N -1 3 378.461 3.509 50 0 GHAAHM Cc1cc(C(=O)COC(=O)c2ccc([O-])cc2O)c(C)n1Cc1ccccc1 ZINC000006080960 570237941 /nfs/dbraw/zinc/23/79/41/570237941.db2.gz NSYTZCGXBLTBDC-UHFFFAOYSA-N -1 3 379.412 3.604 50 0 GHAAHM CCOC(=O)N1CCc2nc([N-]C(=O)c3nc4ccccc4s3)sc2C1 ZINC000010693962 570283060 /nfs/dbraw/zinc/28/30/60/570283060.db2.gz WATHMDPKTWYDPF-UHFFFAOYSA-N -1 3 388.474 3.520 50 0 GHAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)CSCc2ccc(F)cc2Cl)N1 ZINC000006394825 570404280 /nfs/dbraw/zinc/40/42/80/570404280.db2.gz JECWKGBCICLPSI-ZDUSSCGKSA-N -1 3 384.782 3.571 50 0 GHAAHM COc1ccc(NC(=O)CCc2c(C)c3ccc([O-])c(C)c3oc2=O)c(OC)c1 ZINC000006661074 570524863 /nfs/dbraw/zinc/52/48/63/570524863.db2.gz PCGPYBRENXCSFY-UHFFFAOYSA-N -1 3 397.427 3.704 50 0 GHAAHM O=C([O-])[C@@H]1CCC(=O)N(C2CCN(Cc3ccccc3)CC2)[C@@H]1c1ccccc1 ZINC000008729920 570538395 /nfs/dbraw/zinc/53/83/95/570538395.db2.gz VCJFXNVVJSJGQM-FYYLOGMGSA-N -1 3 392.499 3.716 50 0 GHAAHM Cc1cc(C)cc(OCC(=O)N2NC3=C(C[C@@H](C)CC3)[C@@]2([O-])C(F)(F)F)c1 ZINC000169704038 570624475 /nfs/dbraw/zinc/62/44/75/570624475.db2.gz CGHKVGYQAFNXNA-GEWABHDNSA-N -1 3 384.398 3.568 50 0 GHAAHM Cc1cc(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)c(C)s1 ZINC000128935187 570725948 /nfs/dbraw/zinc/72/59/48/570725948.db2.gz UEJXKZRAZYCZAA-OAHLLOKOSA-N -1 3 377.491 3.894 50 0 GHAAHM COc1ccccc1-c1cccc(C(=O)N[C@H]2C[C@H](c3cc(=O)[n-]cn3)C2)c1 ZINC000253535610 570733742 /nfs/dbraw/zinc/73/37/42/570733742.db2.gz JEPRWLNWZSKRSG-QAQDUYKDSA-N -1 3 375.428 3.534 50 0 GHAAHM O=c1cc(Cn2cnc(-c3ccccc3)c2-c2cnc3ccccc3c2)nc[n-]1 ZINC000065375347 570762601 /nfs/dbraw/zinc/76/26/01/570762601.db2.gz ZEBAZJZQHCCPBO-UHFFFAOYSA-N -1 3 379.423 3.897 50 0 GHAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1OC ZINC000007109370 570791901 /nfs/dbraw/zinc/79/19/01/570791901.db2.gz XXMUQWDCKLBZDT-UHFFFAOYSA-N -1 3 391.367 3.793 50 0 GHAAHM NC(=O)c1c2c(sc1[N-]C(=O)c1c(F)c(F)c(F)c(F)c1F)CCCC2 ZINC000005897833 570801867 /nfs/dbraw/zinc/80/18/67/570801867.db2.gz IYDUHBPEAJPSCC-UHFFFAOYSA-N -1 3 390.333 3.674 50 0 GHAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=C(C)C)C(=O)N3C)cc1 ZINC000046053891 571015647 /nfs/dbraw/zinc/01/56/47/571015647.db2.gz QWDUXTKMAYYWND-UHFFFAOYSA-N -1 3 386.473 3.656 50 0 GHAAHM CC[C@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)c1cccc(Cl)c1 ZINC000056762232 861767405 /nfs/dbraw/zinc/76/74/05/861767405.db2.gz WABDVPVRQRUXNR-SFHVURJKSA-N -1 3 396.878 3.604 50 0 GHAAHM COCCn1c(-c2ccc([O-])c(C(N)=O)c2)csc1=Nc1c(C)cccc1C ZINC000254291656 851068025 /nfs/dbraw/zinc/06/80/25/851068025.db2.gz NLXDANHPSFQMKG-UHFFFAOYSA-N -1 3 397.500 3.517 50 0 GHAAHM O=C1C[C@H](c2ccc(C(F)(F)F)cc2)c2c(=O)[n-]c(-c3ccccc3)nc2N1 ZINC000009168716 856926060 /nfs/dbraw/zinc/92/60/60/856926060.db2.gz ABYZDLSQCRFQMQ-CQSZACIVSA-N -1 3 385.345 3.930 50 0 GHAAHM CC(=O)c1cccc(NC(=O)CCc2c(C)c3ccc([O-])c(C)c3oc2=O)c1 ZINC000009547191 857228661 /nfs/dbraw/zinc/22/86/61/857228661.db2.gz KNXWXBIVEYCUBT-UHFFFAOYSA-N -1 3 379.412 3.889 50 0 GHAAHM Cc1cnc(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)s1 ZINC000187205841 859530180 /nfs/dbraw/zinc/53/01/80/859530180.db2.gz WUAUJEIHWDYJLJ-UHFFFAOYSA-N -1 3 386.926 3.762 50 0 GHAAHM C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)[N-]c3ccccc3Cl)ccc2S1 ZINC000015730531 210165208 /nfs/dbraw/zinc/16/52/08/210165208.db2.gz LHRNVDQVWLSZQE-SNVBAGLBSA-N -1 3 382.894 3.964 50 0 GHAAHM COc1ccc(CNC(=O)c2c[n-]c3c(cccc3C(F)(F)F)c2=O)cc1 ZINC000015106226 210151957 /nfs/dbraw/zinc/15/19/57/210151957.db2.gz XRAIXWZNPAXDPI-UHFFFAOYSA-N -1 3 376.334 3.898 50 0 GHAAHM COc1ccc(CNC(=O)c2cnc3c(cccc3C(F)(F)F)c2[O-])cc1 ZINC000015106226 210151959 /nfs/dbraw/zinc/15/19/59/210151959.db2.gz XRAIXWZNPAXDPI-UHFFFAOYSA-N -1 3 376.334 3.898 50 0 GHAAHM COc1cc(/C=C2\SC(=O)N(c3ccc([O-])cc3)C2=O)cc(OC)c1OC ZINC000013639086 210073999 /nfs/dbraw/zinc/07/39/99/210073999.db2.gz NSLPSMXUPSQZDW-YBEGLDIGSA-N -1 3 387.413 3.659 50 0 GHAAHM Cc1cccc(C)c1NC(=O)[C@H](C)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012751683 210000189 /nfs/dbraw/zinc/00/01/89/210000189.db2.gz IVDCSDAKMREXTQ-KRWDZBQOSA-N -1 3 395.503 3.687 50 0 GHAAHM CC[C@H](c1n[n-]c(=S)n1-c1cnn(Cc2ccccc2)c1)n1cc(Cl)cn1 ZINC000002808615 209388548 /nfs/dbraw/zinc/38/85/48/209388548.db2.gz ZQZVFWXVRMBHGK-MRXNPFEDSA-N -1 3 399.911 3.650 50 0 GHAAHM CCOC(=O)[C@]([N-]c1cccc(Cl)c1)(NC(=O)CC(C)C)C(F)(F)F ZINC000002271389 209353825 /nfs/dbraw/zinc/35/38/25/209353825.db2.gz FTEJCJUTRCKEBT-HNNXBMFYSA-N -1 3 380.794 3.736 50 0 GHAAHM Cc1cc(C)c(OCC(=O)N2NC3=C(CCCC3)[C@]2([O-])C(F)(F)F)c(C)c1 ZINC000001093105 209299335 /nfs/dbraw/zinc/29/93/35/209299335.db2.gz IGDWWHFQEPTYES-KDOFPFPSSA-N -1 3 384.398 3.630 50 0 GHAAHM CCOC(=O)c1[n-]c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nc1C ZINC000001047500 209293100 /nfs/dbraw/zinc/29/31/00/209293100.db2.gz IVPBYLJLYFXJPA-UHFFFAOYSA-N -1 3 388.276 3.932 50 0 GHAAHM CCOC(=O)c1nc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)[n-]c1C ZINC000001047500 209293104 /nfs/dbraw/zinc/29/31/04/209293104.db2.gz IVPBYLJLYFXJPA-UHFFFAOYSA-N -1 3 388.276 3.932 50 0 GHAAHM O=C(c1ccccc1[O-])N1NC(C(F)(F)F)=C[C@@]1(O)c1ccc(Cl)cc1 ZINC000000820292 209269310 /nfs/dbraw/zinc/26/93/10/209269310.db2.gz WJWBZNVQXNIKTQ-MRXNPFEDSA-N -1 3 384.741 3.655 50 0 GHAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)C(C)(C)CO3)c(C)c1 ZINC000009173296 209250288 /nfs/dbraw/zinc/25/02/88/209250288.db2.gz VTYJQIBITKPEMJ-UHFFFAOYSA-N -1 3 388.489 3.770 50 0 GHAAHM COC(=O)C[C@H](c1ccc(OC(C)C)cc1)c1oc2ccccc2c(=O)c1[O-] ZINC000253409384 209219725 /nfs/dbraw/zinc/21/97/25/209219725.db2.gz LSVBNCBTVPMKAO-QGZVFWFLSA-N -1 3 382.412 3.981 50 0 biogenic GHAAHM [O-][C@@]1(C(F)(F)F)C2=C(NN1c1nc3ccccc3s1)c1ccccc1OC2 ZINC000005275047 212065041 /nfs/dbraw/zinc/06/50/41/212065041.db2.gz SJANWJHLGDYGHJ-PIGZYNQJSA-N -1 3 391.374 3.780 50 0 GHAAHM O=C([N-]c1snnc1C(=O)NC1CCCCC1)Nc1ccc(Cl)cc1 ZINC000001417000 212060710 /nfs/dbraw/zinc/06/07/10/212060710.db2.gz VISORPPDGOITQP-UHFFFAOYSA-N -1 3 379.873 3.898 50 0 GHAAHM COc1ccc2c(c1)[n-]cc(C(=O)N(C)Cc1ccccc1C(F)(F)F)c2=O ZINC000083865540 211165796 /nfs/dbraw/zinc/16/57/96/211165796.db2.gz GXKLUSIHIKTCBJ-UHFFFAOYSA-N -1 3 390.361 3.828 50 0 GHAAHM Cc1cc(Cl)ccc1NC(=O)N1CCc2c(nc(-c3ccccc3)[n-]c2=O)C1 ZINC000072165445 211080930 /nfs/dbraw/zinc/08/09/30/211080930.db2.gz BTQBVUDOPNUTQG-UHFFFAOYSA-N -1 3 394.862 3.989 50 0 GHAAHM O=C(c1c([O-])cccc1O)N1CCC(c2n[nH]cc2-c2cccc(F)c2)CC1 ZINC000067773869 211020429 /nfs/dbraw/zinc/02/04/29/211020429.db2.gz REURHSYSAQBRKW-UHFFFAOYSA-N -1 3 381.407 3.647 50 0 GHAAHM CC(=O)Nc1nc2c(cc([N-]S(=O)(=O)Cc3ccccc3)cc2C)s1 ZINC000033007765 210612915 /nfs/dbraw/zinc/61/29/15/210612915.db2.gz FRSWDUQVAMMDIC-UHFFFAOYSA-N -1 3 375.475 3.505 50 0 GHAAHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C)[C@H]1C ZINC000241588410 528376544 /nfs/dbraw/zinc/37/65/44/528376544.db2.gz PCZDVSCKWMGMMA-OUCADQQQSA-N -1 3 390.343 3.951 50 0 GHAAHM O=S(=O)([N-]C[C@@H](O)c1ccc(-c2ccsc2)o1)c1ccc(Cl)s1 ZINC000575610069 570333035 /nfs/dbraw/zinc/33/30/35/570333035.db2.gz JXLXWSYIRFEXFT-SNVBAGLBSA-N -1 3 389.907 3.735 50 0 GHAAHM Cc1nc(-c2cccc(F)c2)sc1CC[N-]S(=O)(=O)c1cccs1 ZINC000005137242 570423918 /nfs/dbraw/zinc/42/39/18/570423918.db2.gz RHTPWEXALMCETI-UHFFFAOYSA-N -1 3 382.507 3.840 50 0 GHAAHM O=C(CSCc1nc(=O)c2c(-c3cccs3)csc2[n-]1)N1CCCC1 ZINC000029506333 570475438 /nfs/dbraw/zinc/47/54/38/570475438.db2.gz NAVQYEFEHTUCDH-UHFFFAOYSA-N -1 3 391.543 3.569 50 0 GHAAHM CCc1ccc(OCc2ccc(C(=O)N3NC=C[C@]3([O-])C(F)(F)F)o2)cc1 ZINC000006555787 570476587 /nfs/dbraw/zinc/47/65/87/570476587.db2.gz LIXJASMJRICXSC-KRWDZBQOSA-N -1 3 382.338 3.504 50 0 GHAAHM CCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)CC1 ZINC000033274875 570523512 /nfs/dbraw/zinc/52/35/12/570523512.db2.gz IPUJTLSWFXKSBT-UHFFFAOYSA-N -1 3 386.517 3.662 50 0 GHAAHM Cc1cc(C)cc(N2C[C@H](c3nnc([N-]C(=O)c4ccco4)s3)CC2=O)c1 ZINC000008654687 570536359 /nfs/dbraw/zinc/53/63/59/570536359.db2.gz JSGNREZJSREPTI-CYBMUJFWSA-N -1 3 382.445 3.521 50 0 GHAAHM Cc1cc(C)cc(N2C[C@@H](c3nnc([N-]C(=O)c4ccco4)s3)CC2=O)c1 ZINC000008654688 570536450 /nfs/dbraw/zinc/53/64/50/570536450.db2.gz JSGNREZJSREPTI-ZDUSSCGKSA-N -1 3 382.445 3.521 50 0 GHAAHM O=C([O-])[C@@H]1CCC(=O)N(C2CCN(Cc3ccccc3)CC2)[C@H]1c1ccccc1 ZINC000008729921 570538558 /nfs/dbraw/zinc/53/85/58/570538558.db2.gz VCJFXNVVJSJGQM-GGAORHGYSA-N -1 3 392.499 3.716 50 0 GHAAHM C[C@@H]1C[C@H](C)CCN(C(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)C1 ZINC000119312870 570622273 /nfs/dbraw/zinc/62/22/73/570622273.db2.gz OFCPTFYNRHHAGJ-ZIAGYGMSSA-N -1 3 387.505 3.538 50 0 GHAAHM CCc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)ccc2OC)no1 ZINC000033013353 570628091 /nfs/dbraw/zinc/62/80/91/570628091.db2.gz DMKIQCRGFKMCFW-UHFFFAOYSA-N -1 3 387.461 3.725 50 0 GHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C2CC2)cc1 ZINC000065021340 570648590 /nfs/dbraw/zinc/64/85/90/570648590.db2.gz MWNCBRZICINRHS-UHFFFAOYSA-N -1 3 384.501 3.830 50 0 GHAAHM O=S(=O)([N-][C@H]1CCN(Cc2ccccc2)C1)c1cc(Cl)cc(Cl)c1 ZINC000036396625 570680854 /nfs/dbraw/zinc/68/08/54/570680854.db2.gz AKFCZHJCLQMUGF-INIZCTEOSA-N -1 3 385.316 3.546 50 0 GHAAHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(F)(F)C3(O)CCCCC3)c2)n1 ZINC000239722354 570683848 /nfs/dbraw/zinc/68/38/48/570683848.db2.gz CCLJNTALZXOJHA-UHFFFAOYSA-N -1 3 391.418 3.681 50 0 GHAAHM Cc1ccc2[nH]c(CSc3nnc([N-]C(=O)c4ccco4)s3)cc(=O)c2c1 ZINC000033063898 570749092 /nfs/dbraw/zinc/74/90/92/570749092.db2.gz JNJSZENUHNPALF-UHFFFAOYSA-N -1 3 398.469 3.826 50 0 GHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1I ZINC000007051265 570770662 /nfs/dbraw/zinc/77/06/62/570770662.db2.gz MEKZHPVJCVVRGQ-UHFFFAOYSA-N -1 3 391.205 3.540 50 0 GHAAHM CC(C)c1ccc(CCCNC(=O)N2CCC[C@H](c3cc(=O)[n-]cn3)C2)cc1 ZINC000534662633 570922108 /nfs/dbraw/zinc/92/21/08/570922108.db2.gz IYYDSTDQSLNMKC-IBGZPJMESA-N -1 3 382.508 3.827 50 0 GHAAHM COCCCN1CCc2nc(SCc3ccc(F)cc3Cl)[n-]c(=O)c2C1 ZINC000033287229 570955405 /nfs/dbraw/zinc/95/54/05/570955405.db2.gz DRQGOSFRNZBOGN-UHFFFAOYSA-N -1 3 397.903 3.662 50 0 GHAAHM CCCC[C@@H]1Oc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2NC1=O ZINC000252478042 570966393 /nfs/dbraw/zinc/96/63/93/570966393.db2.gz AARXJQWJBSVKIW-KRWDZBQOSA-N -1 3 378.425 3.516 50 0 GHAAHM CCn1c2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2sc1=O ZINC000046017429 571011722 /nfs/dbraw/zinc/01/17/22/571011722.db2.gz YNDZQFNAPVTLAN-UHFFFAOYSA-N -1 3 376.503 3.809 50 0 GHAAHM COc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1-c1nc(C(C)C)no1 ZINC000046020257 571012087 /nfs/dbraw/zinc/01/20/87/571012087.db2.gz FEWFGBPAVUUDDA-UHFFFAOYSA-N -1 3 387.461 3.978 50 0 GHAAHM Cc1nc(C)c(CC(=O)N[C@@H](CCC(C)C)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000057128537 861899418 /nfs/dbraw/zinc/89/94/18/861899418.db2.gz QPRIITLBNNLQQN-SFHVURJKSA-N -1 3 375.900 3.876 50 0 GHAAHM Cc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)nc1 ZINC000008706823 856323988 /nfs/dbraw/zinc/32/39/88/856323988.db2.gz PRFCIQVZMASPAV-UHFFFAOYSA-N -1 3 385.420 3.582 50 0 GHAAHM O=C1Nc2ccccc2Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc21 ZINC000008961194 856678469 /nfs/dbraw/zinc/67/84/69/856678469.db2.gz IKFXHHZVISOXHF-UHFFFAOYSA-N -1 3 384.388 3.985 50 0 GHAAHM C[C@H](Oc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cn1)c1ccccc1 ZINC000040153407 856684935 /nfs/dbraw/zinc/68/49/35/856684935.db2.gz GYFFEWFMVJCSAJ-JTQLQIEISA-N -1 3 377.326 3.611 50 0 GHAAHM C[C@H](Oc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cn1)c1ccccc1 ZINC000040153407 856684938 /nfs/dbraw/zinc/68/49/38/856684938.db2.gz GYFFEWFMVJCSAJ-JTQLQIEISA-N -1 3 377.326 3.611 50 0 GHAAHM CCC(CC)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000032355361 862903594 /nfs/dbraw/zinc/90/35/94/862903594.db2.gz OTSYAEQQVGNTMT-UHFFFAOYSA-N -1 3 378.469 3.887 50 0 GHAAHM CCC(CC)CN(C)Cc1nc(-c2ccccc2[N-]S(C)(=O)=O)oc1C ZINC000011785316 858937721 /nfs/dbraw/zinc/93/77/21/858937721.db2.gz TYHBHROSNNFUCA-UHFFFAOYSA-N -1 3 379.526 3.890 50 0 GHAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)CC)cc1 ZINC000017248172 210207811 /nfs/dbraw/zinc/20/78/11/210207811.db2.gz SMQCLNXCVFVFKM-UHFFFAOYSA-N -1 3 388.489 3.575 50 0 GHAAHM Cc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OCc3ccccc3Cl)cc1)CC(=O)N2 ZINC000017044016 210200823 /nfs/dbraw/zinc/20/08/23/210200823.db2.gz VHFMRHHAMUSNOR-MRXNPFEDSA-N -1 3 395.846 3.785 50 0 GHAAHM C[C@@H](Sc1n[n-]c(COc2ccc(Cl)cc2)n1)C(=O)N1CCCCCC1 ZINC000014159759 210106015 /nfs/dbraw/zinc/10/60/15/210106015.db2.gz LNXHVHUOMPHWIN-CYBMUJFWSA-N -1 3 394.928 3.920 50 0 GHAAHM N[C@@H](CO[C@H](c1cccc(F)c1)c1ccccc1OCc1ccccc1)C(=O)[O-] ZINC000013829333 210093888 /nfs/dbraw/zinc/09/38/88/210093888.db2.gz ADUSZEGHFWRTQS-RBBKRZOGSA-N -1 3 395.430 3.923 50 0 in-vitro GHAAHM O=C(Nc1c(F)cc(F)cc1Br)[C@@H]1CC(c2ccccc2[O-])=NO1 ZINC000012846307 210017016 /nfs/dbraw/zinc/01/70/16/210017016.db2.gz ZEWJIHOFKLTJDF-AWEZNQCLSA-N -1 3 397.175 3.565 50 0 GHAAHM CCOC(=O)[C@@]([N-]c1ccc(Cl)c(Cl)c1)(NC(=O)CC)C(F)(F)F ZINC000002275284 209353932 /nfs/dbraw/zinc/35/39/32/209353932.db2.gz PRQNJAJISBQTBA-CYBMUJFWSA-N -1 3 387.185 3.753 50 0 GHAAHM O=S(=O)([N-]CCSc1ccccc1)c1ccc(Br)s1 ZINC000002179459 209348144 /nfs/dbraw/zinc/34/81/44/209348144.db2.gz FQEUAZGWRKVWOO-UHFFFAOYSA-N -1 3 378.338 3.581 50 0 GHAAHM CCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(Cl)c(C)c2)N1 ZINC000001151931 209307855 /nfs/dbraw/zinc/30/78/55/209307855.db2.gz CRFDMPFAFFQVHA-OAHLLOKOSA-N -1 3 378.778 3.667 50 0 GHAAHM O=S(=O)([N-]C1Cc2ccccc2C1)c1cc(C(F)(F)F)ccc1Cl ZINC000001040244 209293043 /nfs/dbraw/zinc/29/30/43/209293043.db2.gz OWGWXSQQPJCVES-UHFFFAOYSA-N -1 3 375.799 3.805 50 0 GHAAHM CN(C)c1ccc(C(=O)N2NC(C3CCCCC3)=C[C@@]2([O-])C(F)(F)F)cc1 ZINC000000979777 209284785 /nfs/dbraw/zinc/28/47/85/209284785.db2.gz PMAJCYXPJYJKFR-GOSISDBHSA-N -1 3 383.414 3.786 50 0 GHAAHM Cc1nc(C(=O)[N-]c2c(F)cccc2F)nn1-c1ccc(OC(F)F)cc1 ZINC000261490633 212029933 /nfs/dbraw/zinc/02/99/33/212029933.db2.gz QYYDUXJJWZQXKX-UHFFFAOYSA-N -1 3 380.301 3.708 50 0 GHAAHM Cc1nc(CCNC(=O)C[C@@H](c2ccccc2)c2ccccc2Cl)cc(=O)[n-]1 ZINC000095522318 211267400 /nfs/dbraw/zinc/26/74/00/211267400.db2.gz TVSPGOGIJWTOBW-IBGZPJMESA-N -1 3 395.890 3.613 50 0 GHAAHM CN(Cc1ccco1)C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O ZINC000091325930 211189358 /nfs/dbraw/zinc/18/93/58/211189358.db2.gz NYWVYEJRBXPBNA-UHFFFAOYSA-N -1 3 392.242 3.533 50 0 GHAAHM Cc1nc(C[N-]S(=O)(=O)c2cnn(C(C)C)c2)oc1-c1ccc(Cl)cc1 ZINC000079092370 211154650 /nfs/dbraw/zinc/15/46/50/211154650.db2.gz GIXVUJFNENEHOG-UHFFFAOYSA-N -1 3 394.884 3.559 50 0 GHAAHM O=S(=O)([N-]C[C@@H](c1cccs1)N1CCCC1)c1ccc(F)cc1Cl ZINC000071849026 211063920 /nfs/dbraw/zinc/06/39/20/211063920.db2.gz TYFJTMSWSMBNGJ-AWEZNQCLSA-N -1 3 388.917 3.656 50 0 GHAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)C[C@@H]2c1ccc(OCc2ccccn2)cc1 ZINC000071281110 211042203 /nfs/dbraw/zinc/04/22/03/211042203.db2.gz WEIAWRHTFHTTMJ-QGZVFWFLSA-N -1 3 378.432 3.855 50 0 GHAAHM O=S(=O)([N-]Cc1ccc(Cl)cc1)c1cc(-c2noc(C3CC3)n2)cs1 ZINC000021702206 210389041 /nfs/dbraw/zinc/38/90/41/210389041.db2.gz RNGMUVULLJCPKD-UHFFFAOYSA-N -1 3 395.893 3.807 50 0 GHAAHM Cc1ccc(Cl)cc1NC(=O)[C@@H]([N-]S(=O)(=O)c1cccs1)C(C)C ZINC000021052069 210376789 /nfs/dbraw/zinc/37/67/89/210376789.db2.gz DTUNPRQVNOFSBP-HNNXBMFYSA-N -1 3 386.926 3.652 50 0 GHAAHM CCc1c(C)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[n-]c1=O ZINC000019943060 210309795 /nfs/dbraw/zinc/30/97/95/210309795.db2.gz WRLNJELJUDAFCQ-UHFFFAOYSA-N -1 3 388.515 3.552 50 0 GHAAHM Cc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)CC(=O)N2 ZINC000009059058 221068718 /nfs/dbraw/zinc/06/87/18/221068718.db2.gz WAWIRBHQBMOFNB-KRWDZBQOSA-N -1 3 395.846 3.785 50 0 GHAAHM CCC[C@@H]1CCc2sc(C(=O)N3CCc4nc(C)[n-]c(=O)c4CC3)cc2C1 ZINC000426726946 527766248 /nfs/dbraw/zinc/76/62/48/527766248.db2.gz VABOWNQJQZCITR-CQSZACIVSA-N -1 3 385.533 3.698 50 0 GHAAHM CCCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCC)cc2)ccc1C ZINC000063678743 570243227 /nfs/dbraw/zinc/24/32/27/570243227.db2.gz MJAXOPYAQREFQC-UHFFFAOYSA-N -1 3 390.505 3.677 50 0 GHAAHM C[C@H]1CN(Cc2nc(=O)c3c(-c4ccc(Cl)cc4)csc3[n-]2)C[C@H](C)O1 ZINC000021548638 570292409 /nfs/dbraw/zinc/29/24/09/570292409.db2.gz XDUYYHVIOXXGBU-RYUDHWBXSA-N -1 3 389.908 3.914 50 0 GHAAHM O=S(=O)([N-]Cc1ccccc1Cn1cccn1)c1cc(Cl)ccc1Cl ZINC000010959016 570388501 /nfs/dbraw/zinc/38/85/01/570388501.db2.gz GJBITAIKSYOJBC-UHFFFAOYSA-N -1 3 396.299 3.717 50 0 GHAAHM O=S(=O)([N-]Cc1ccccc1Cn1cccn1)c1cc(Cl)cc(Cl)c1 ZINC000010959168 570388791 /nfs/dbraw/zinc/38/87/91/570388791.db2.gz JDDUBOPBVGRDPT-UHFFFAOYSA-N -1 3 396.299 3.717 50 0 GHAAHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000024828437 570394391 /nfs/dbraw/zinc/39/43/91/570394391.db2.gz BJZDLXFGLDRWQD-UHFFFAOYSA-N -1 3 386.371 3.763 50 0 GHAAHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000024828437 570394392 /nfs/dbraw/zinc/39/43/92/570394392.db2.gz BJZDLXFGLDRWQD-UHFFFAOYSA-N -1 3 386.371 3.763 50 0 GHAAHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000024828437 570394395 /nfs/dbraw/zinc/39/43/95/570394395.db2.gz BJZDLXFGLDRWQD-UHFFFAOYSA-N -1 3 386.371 3.763 50 0 GHAAHM CCCCc1noc([C@@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)n1 ZINC000032788803 570394844 /nfs/dbraw/zinc/39/48/44/570394844.db2.gz XQBDEFXRDQBZPV-GFCCVEGCSA-N -1 3 396.476 3.688 50 0 GHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)C2CC2)cc1C ZINC000005099543 570416322 /nfs/dbraw/zinc/41/63/22/570416322.db2.gz JBDGSWIGLZFCGK-UHFFFAOYSA-N -1 3 384.501 3.793 50 0 GHAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2C)[C@@H]3c2ccco2)cc1 ZINC000238899548 570427513 /nfs/dbraw/zinc/42/75/13/570427513.db2.gz GNDIHGXIRKDVMJ-NJDAHSKKSA-N -1 3 388.423 3.948 50 0 GHAAHM CCCc1ccc(OCc2ccc(C(=O)N3NC=C[C@@]3([O-])C(F)(F)F)o2)cc1 ZINC000006462356 570440341 /nfs/dbraw/zinc/44/03/41/570440341.db2.gz SLTVFKFHSJUMMT-GOSISDBHSA-N -1 3 396.365 3.894 50 0 GHAAHM CCC[C@H](C)n1[n-]c(=O)c2c1NC(=O)CS[C@H]2c1ccc(OC)c(OC)c1 ZINC000006265376 570474781 /nfs/dbraw/zinc/47/47/81/570474781.db2.gz GFGQMUIWVXDHMW-GTNSWQLSSA-N -1 3 391.493 3.979 50 0 GHAAHM O=S(=O)([N-]CCc1csc(-c2cccc(F)c2)n1)c1ccc(F)cc1F ZINC000005166119 570485678 /nfs/dbraw/zinc/48/56/78/570485678.db2.gz YLRHMYCEIQHPKA-UHFFFAOYSA-N -1 3 398.431 3.748 50 0 GHAAHM COc1cc([C@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)ccc1OC(C)C ZINC000002766059 570515317 /nfs/dbraw/zinc/51/53/17/570515317.db2.gz XSQRHECHQUSESB-YLJYHZDGSA-N -1 3 380.444 3.652 50 0 biogenic GHAAHM CCCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)CC1 ZINC000033274828 570523287 /nfs/dbraw/zinc/52/32/87/570523287.db2.gz HBUSHJRSZHTERH-UHFFFAOYSA-N -1 3 386.517 3.744 50 0 GHAAHM Cc1ccc(N2C[C@@H](c3nnc([N-]C(=O)c4ccco4)s3)CC2=O)cc1C ZINC000008654685 570536612 /nfs/dbraw/zinc/53/66/12/570536612.db2.gz KZGWERRVILTFGP-ZDUSSCGKSA-N -1 3 382.445 3.521 50 0 GHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)Cc3ccccc3)cc2)cc1 ZINC000005332488 570556264 /nfs/dbraw/zinc/55/62/64/570556264.db2.gz NQLVQLPJTCZRIU-UHFFFAOYSA-N -1 3 380.469 3.977 50 0 GHAAHM CCCc1c(=O)[n-]c(N2CCN(c3ccccc3F)CC2)nc1-c1ccccc1 ZINC000010342437 570569966 /nfs/dbraw/zinc/56/99/66/570569966.db2.gz QBXBANAMRKMGFW-UHFFFAOYSA-N -1 3 392.478 3.855 50 0 GHAAHM C[C@H]1CCN(C(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)C[C@@H](C)C1 ZINC000119313197 570622098 /nfs/dbraw/zinc/62/20/98/570622098.db2.gz OFCPTFYNRHHAGJ-KBPBESRZSA-N -1 3 387.505 3.538 50 0 GHAAHM O=S(=O)([N-][C@@H]1CCN(Cc2ccccc2)C1)c1cc(Cl)cc(Cl)c1 ZINC000036396626 570680976 /nfs/dbraw/zinc/68/09/76/570680976.db2.gz AKFCZHJCLQMUGF-MRXNPFEDSA-N -1 3 385.316 3.546 50 0 GHAAHM CCCn1nccc1-c1csc(S(=O)(=O)[N-]Cc2ccc(C)cc2)c1 ZINC000065112570 570702246 /nfs/dbraw/zinc/70/22/46/570702246.db2.gz OPXQIUXEEQGYJN-UHFFFAOYSA-N -1 3 375.519 3.809 50 0 GHAAHM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1ccccn1 ZINC000007016333 570741472 /nfs/dbraw/zinc/74/14/72/570741472.db2.gz VGKXINHXAHLNIB-UHFFFAOYSA-N -1 3 387.848 3.788 50 0 GHAAHM CCc1nnc([N-]C(=O)c2sc3nc(-c4ccncc4)ccc3c2N)s1 ZINC000065362562 570759987 /nfs/dbraw/zinc/75/99/87/570759987.db2.gz KFVZNDFXVGWSHC-UHFFFAOYSA-N -1 3 382.474 3.607 50 0 GHAAHM O=C(Nc1ccc(OCc2ccccc2F)cc1)c1nnc2ccccc2c1[O-] ZINC000170625176 570882106 /nfs/dbraw/zinc/88/21/06/570882106.db2.gz HSRDUVQWTATRCW-UHFFFAOYSA-N -1 3 389.386 3.894 50 0 GHAAHM CCOC(=O)c1ncc(C(=O)[N-]c2nc3ccc(OCC)cc3s2)s1 ZINC000241435161 570945927 /nfs/dbraw/zinc/94/59/27/570945927.db2.gz NLGAOEDLGLRLBZ-UHFFFAOYSA-N -1 3 377.447 3.581 50 0 GHAAHM C[C@H]1C[C@H](C)CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000057379131 862065416 /nfs/dbraw/zinc/06/54/16/862065416.db2.gz CEDGRCNVFAYBKW-GJZGRUSLSA-N -1 3 390.480 3.745 50 0 GHAAHM CC(=O)N(CCC(C)C)c1nc(C)c(C(=O)[N-]c2nnc(C3CC3)s2)s1 ZINC000040283205 856722806 /nfs/dbraw/zinc/72/28/06/856722806.db2.gz PVAQCVBUCIPEDX-UHFFFAOYSA-N -1 3 393.538 3.832 50 0 GHAAHM CC(=O)N[C@@H]([N-]c1nnc(-c2ccc(C)cc2)s1)C(Cl)(Cl)Cl ZINC000004248226 862901795 /nfs/dbraw/zinc/90/17/95/862901795.db2.gz BLQOUUOASSZVOG-NSHDSACASA-N -1 3 379.700 3.758 50 0 GHAAHM O=C1C[C@H](c2ccc(Cl)cc2Cl)c2c(=O)[n-]c(N3CCCC3)nc2N1 ZINC000828323405 907659956 /nfs/dbraw/zinc/65/99/56/907659956.db2.gz UVMIPHHTWKFZHF-LLVKDONJSA-N -1 3 379.247 3.563 50 0 GHAAHM Cc1cc(C)n2nc(C(=O)[N-]c3nc(-c4ccccc4Cl)cs3)nc2n1 ZINC000014375760 210116196 /nfs/dbraw/zinc/11/61/96/210116196.db2.gz GGNGEBPIRWYTOP-UHFFFAOYSA-N -1 3 384.852 3.770 50 0 GHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CCC[C@@H](C)C1 ZINC000014248920 210113766 /nfs/dbraw/zinc/11/37/66/210113766.db2.gz WJWLFWZHDWEAKB-CQSZACIVSA-N -1 3 390.480 3.807 50 0 GHAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1cccc(F)c1 ZINC000013803812 210092308 /nfs/dbraw/zinc/09/23/08/210092308.db2.gz BYXOTOJBGXHDNU-NJDAHSKKSA-N -1 3 388.398 3.877 50 0 GHAAHM C[C@H]1CCc2c(sc3[n-]c(COC(=O)c4c(F)cccc4F)nc(=O)c23)C1 ZINC000003302580 209422136 /nfs/dbraw/zinc/42/21/36/209422136.db2.gz ARGSTVLZIYIHAL-VIFPVBQESA-N -1 3 390.411 3.745 50 0 GHAAHM Cc1nn(CCC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c(C)c1Cl ZINC000002777024 209383988 /nfs/dbraw/zinc/38/39/88/209383988.db2.gz WJUAEIWHSDNHPV-UHFFFAOYSA-N -1 3 396.727 3.829 50 0 GHAAHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)c1ccco1 ZINC000000802875 209266621 /nfs/dbraw/zinc/26/66/21/209266621.db2.gz GIJITAZBNCDOGI-UHFFFAOYSA-N -1 3 376.821 3.986 50 0 GHAAHM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1Cl)c1ccc2c(c1)OCCO2 ZINC000000803277 209266510 /nfs/dbraw/zinc/26/65/10/209266510.db2.gz IYSHXVYDMXHETN-UHFFFAOYSA-N -1 3 393.770 3.931 50 0 GHAAHM Cc1ccc(-n2c(O)c3n(-c4ccccc4)[n-]c(-c4ccccc4)c-3c2=O)cc1 ZINC000100739665 211389916 /nfs/dbraw/zinc/38/99/16/211389916.db2.gz AZEUNCWIFNZFJC-RBBKRZOGSA-N -1 3 381.435 3.778 50 0 GHAAHM CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2ccccc2F)CCO1 ZINC000096117615 211302541 /nfs/dbraw/zinc/30/25/41/211302541.db2.gz IEVNHGLIIHHBHO-BZNIZROVSA-N -1 3 391.468 3.633 50 0 GHAAHM O=C(c1c([O-])cccc1O)N1CCC[C@H](c2n[nH]cc2-c2ccc(F)cc2)C1 ZINC000067909210 211028966 /nfs/dbraw/zinc/02/89/66/211028966.db2.gz NHJMSRQXKZKGQS-AWEZNQCLSA-N -1 3 381.407 3.647 50 0 GHAAHM O=S(=O)([N-]Cc1ccccc1)c1ccc(-c2nnc(C3CCC3)o2)s1 ZINC000064920623 210954210 /nfs/dbraw/zinc/95/42/10/210954210.db2.gz AMNRTPJDDOVPLY-UHFFFAOYSA-N -1 3 375.475 3.544 50 0 GHAAHM Cc1nsc([N-]C(=O)c2ccc([C@H]3CCCN3C(=O)C(C)(C)C)s2)n1 ZINC000020858862 210365035 /nfs/dbraw/zinc/36/50/35/210365035.db2.gz JKCWDHCCHRRVSQ-LLVKDONJSA-N -1 3 378.523 3.870 50 0 GHAAHM O=C([O-])[C@@H](c1c[nH]c2ccc(OCc3ccccc3)cc21)N1CCSCC1 ZINC000020744705 210359441 /nfs/dbraw/zinc/35/94/41/210359441.db2.gz APZQEAIFVRLAEH-HXUWFJFHSA-N -1 3 382.485 3.921 50 0 GHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(=O)n(Cc3ccccc3Cl)c2)s1 ZINC000048312025 570233279 /nfs/dbraw/zinc/23/32/79/570233279.db2.gz HDHBYBWJGNEBLX-UHFFFAOYSA-N -1 3 394.905 3.721 50 0 GHAAHM CCOC(=O)[C@]([O-])(c1ccc(NC(=O)Nc2ccccc2)cc1)C(F)(F)F ZINC000004343656 570369762 /nfs/dbraw/zinc/36/97/62/570369762.db2.gz PFBSLGSALRGGOF-QGZVFWFLSA-N -1 3 382.338 3.644 50 0 GHAAHM O=S(=O)([N-]Cc1ccccc1)c1cc(-c2noc(C3CCC3)n2)cs1 ZINC000035557293 570396404 /nfs/dbraw/zinc/39/64/04/570396404.db2.gz MNGVMAWKGHLMIH-UHFFFAOYSA-N -1 3 375.475 3.544 50 0 GHAAHM CCOc1ncccc1C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000028041782 570450081 /nfs/dbraw/zinc/45/00/81/570450081.db2.gz QZNKQDKDBJYFMV-UHFFFAOYSA-N -1 3 394.802 3.631 50 0 GHAAHM CCC[C@H](C)n1[n-]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc(OC)c(OC)c1 ZINC000006265382 570474888 /nfs/dbraw/zinc/47/48/88/570474888.db2.gz GFGQMUIWVXDHMW-APPDUMDISA-N -1 3 391.493 3.979 50 0 GHAAHM O=C(Nc1nc2c(s1)CCCC2)c1cc(=O)c(OCc2ccccc2)c[n-]1 ZINC000061717629 570500681 /nfs/dbraw/zinc/50/06/81/570500681.db2.gz IVOBIUINDXZLGQ-UHFFFAOYSA-N -1 3 381.457 3.954 50 0 GHAAHM O=C(Nc1nncs1)c1cc(=O)c(OCc2ccc(Cl)cc2Cl)c[n-]1 ZINC000061717993 570500835 /nfs/dbraw/zinc/50/08/35/570500835.db2.gz YZNXJKQBVORQSA-UHFFFAOYSA-N -1 3 397.243 3.777 50 0 GHAAHM CCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2)CC1 ZINC000033274645 570523299 /nfs/dbraw/zinc/52/32/99/570523299.db2.gz YSCUWTQGOKGFRY-UHFFFAOYSA-N -1 3 398.528 3.534 50 0 GHAAHM Cc1c(C)n(CCCO)c2ncn3nc(-c4ccc5ccccc5c4[O-])nc3c12 ZINC000009134721 570550481 /nfs/dbraw/zinc/55/04/81/570550481.db2.gz ACCPYAMISXELKQ-UHFFFAOYSA-N -1 3 387.443 3.604 50 0 GHAAHM COc1ccc([C@@H]2CC(=O)c3c[n-]c4nn(-c5ccccc5)c(=O)c-4c3C2)cc1 ZINC000005428911 570591775 /nfs/dbraw/zinc/59/17/75/570591775.db2.gz WJWAXRYRACPLIH-HNNXBMFYSA-N -1 3 385.423 3.635 50 0 GHAAHM CCCn1c2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2sc1=O ZINC000064946823 570602882 /nfs/dbraw/zinc/60/28/82/570602882.db2.gz WLHZTRQWVPFCFB-UHFFFAOYSA-N -1 3 382.894 3.927 50 0 GHAAHM O=C(c1ccc(COc2ccc(Cl)cc2)o1)N1NC=C[C@@]1([O-])C(F)(F)F ZINC000006829125 570626400 /nfs/dbraw/zinc/62/64/00/570626400.db2.gz XQMXTWJLKIXGCK-OAHLLOKOSA-N -1 3 388.729 3.595 50 0 GHAAHM CCCn1nccc1-c1csc(S(=O)(=O)[N-]Cc2ccc(OC)cc2)c1 ZINC000065112568 570702254 /nfs/dbraw/zinc/70/22/54/570702254.db2.gz OYSYOFQARHBIEV-UHFFFAOYSA-N -1 3 391.518 3.509 50 0 GHAAHM Cc1nc(Cc2sc(Nc3ccc(C)cc3)nc2[O-])n(-c2ccc(F)cc2)n1 ZINC000065509137 570771651 /nfs/dbraw/zinc/77/16/51/570771651.db2.gz RGZARAXUQXGWAY-KRWDZBQOSA-N -1 3 395.463 3.676 50 0 GHAAHM O=C(Nc1ccc(C(F)(F)F)cn1)c1cc(=O)c(OCc2ccccc2)c[n-]1 ZINC000524734596 570771947 /nfs/dbraw/zinc/77/19/47/570771947.db2.gz UJNXFHOLHGCNDB-UHFFFAOYSA-N -1 3 389.333 3.620 50 0 GHAAHM COC(=O)c1sc2[n-]c(CN(C)[C@H]3CCCc4ccccc43)nc(=O)c2c1C ZINC000007327932 570829637 /nfs/dbraw/zinc/82/96/37/570829637.db2.gz VEYLLISGSPRLRO-HNNXBMFYSA-N -1 3 397.500 3.589 50 0 GHAAHM Cc1c(C(=O)Nc2ncccc2C)sc2[n-]c(Cc3ccccc3)nc(=O)c12 ZINC000012554421 570857542 /nfs/dbraw/zinc/85/75/42/570857542.db2.gz ZHEDVJBKJOYMBI-UHFFFAOYSA-N -1 3 390.468 3.840 50 0 GHAAHM Cn1c(SCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)nnc1C1CC1 ZINC000010028450 570891427 /nfs/dbraw/zinc/89/14/27/570891427.db2.gz OYOZWLUAFZGBDQ-UHFFFAOYSA-N -1 3 385.474 3.543 50 0 GHAAHM Cc1cc([N-]C(=O)[C@H](C)OC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)on1 ZINC000252477764 570966209 /nfs/dbraw/zinc/96/62/09/570966209.db2.gz VFLCYEKUVJUXNH-WCFLWFBJSA-N -1 3 382.338 3.676 50 0 GHAAHM O=C(c1ccc([N-]S(=O)(=O)Cc2ccccc2Cl)cc1)N1CCCC1 ZINC000252480238 570967105 /nfs/dbraw/zinc/96/71/05/570967105.db2.gz BYUAFMVKVJAQNF-UHFFFAOYSA-N -1 3 378.881 3.518 50 0 GHAAHM O=C([N-]c1nnc([C@H]2CCCO2)s1)c1csc(NCc2ccccc2)n1 ZINC000044918750 570983209 /nfs/dbraw/zinc/98/32/09/570983209.db2.gz MNZBMLDGUNUFLB-CYBMUJFWSA-N -1 3 387.490 3.711 50 0 GHAAHM CCCc1noc(-c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2OC)n1 ZINC000046020181 571012000 /nfs/dbraw/zinc/01/20/00/571012000.db2.gz SHSUMXGATZLURX-UHFFFAOYSA-N -1 3 387.461 3.807 50 0 GHAAHM CCN(CCN(C)C)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000046053465 571015115 /nfs/dbraw/zinc/01/51/15/571015115.db2.gz LMBWRHKHVJMQSU-UHFFFAOYSA-N -1 3 389.883 3.678 50 0 GHAAHM O=c1[n-]c(SC[C@@H]2Cc3ccccc3O2)nc2c1cnn2-c1ccccc1 ZINC000084572775 571023513 /nfs/dbraw/zinc/02/35/13/571023513.db2.gz USWBSTVNQOVPKB-HNNXBMFYSA-N -1 3 376.441 3.617 50 0 GHAAHM COc1ccc(C(=O)Nc2cccc(/C=C3/C(=O)[N-]C(=O)c4ccccc43)c2)cc1 ZINC000030058188 835063081 /nfs/dbraw/zinc/06/30/81/835063081.db2.gz LBEVRBVAFLYEFR-KGENOOAVSA-N -1 3 398.418 3.758 50 0 GHAAHM CC(C)(C)c1nc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)no1 ZINC000040154529 856684807 /nfs/dbraw/zinc/68/48/07/856684807.db2.gz OQIBRORDSRVZLA-UHFFFAOYSA-N -1 3 392.887 3.577 50 0 GHAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(CC)cc(=O)c3c2)c(C)c1 ZINC000182500550 872438162 /nfs/dbraw/zinc/43/81/62/872438162.db2.gz NVYRZLGEFUMBCM-UHFFFAOYSA-N -1 3 386.473 3.598 50 0 GHAAHM Cc1ccc(C=CS(=O)(=O)[N-]N=c2[nH]cc(C(F)(F)F)cc2Cl)cc1 ZINC000055558344 924045568 /nfs/dbraw/zinc/04/55/68/924045568.db2.gz BBCCUZAHVDADRG-VOTSOKGWSA-N -1 3 391.802 3.979 50 0 GHAAHM CC(C)OC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000015361924 210156300 /nfs/dbraw/zinc/15/63/00/210156300.db2.gz JAXNKHFDTUOLKK-CYBMUJFWSA-N -1 3 387.910 3.763 50 0 GHAAHM O=c1cc(-c2cccc3ccccc32)nc(N2CCN(c3ccccc3)CC2)[n-]1 ZINC000013611366 210072836 /nfs/dbraw/zinc/07/28/36/210072836.db2.gz IZZWTKFRUIFGKZ-UHFFFAOYSA-N -1 3 382.467 3.917 50 0 GHAAHM Fc1ccc(OCc2n[n-]c(=S)n2-c2cnn(Cc3ccccc3)c2)cc1 ZINC000002809703 209388720 /nfs/dbraw/zinc/38/87/20/209388720.db2.gz FXMLXBRMLKWHMO-UHFFFAOYSA-N -1 3 381.436 3.519 50 0 GHAAHM Cc1sc2[n-]c(COC(=O)CCc3c[nH]c4ccccc34)nc(=O)c2c1C ZINC000002636690 209374329 /nfs/dbraw/zinc/37/43/29/209374329.db2.gz YRDHQNUXMWBYCS-UHFFFAOYSA-N -1 3 381.457 3.759 50 0 GHAAHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C(c1ccccc1)c1ccccc1 ZINC000001029238 209289682 /nfs/dbraw/zinc/28/96/82/209289682.db2.gz RVHJFZNWKSXFRO-UHFFFAOYSA-N -1 3 399.468 3.751 50 0 GHAAHM COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@H](C)C(C)(C)C)cc(Cl)c1[O-] ZINC000000716220 209262165 /nfs/dbraw/zinc/26/21/65/209262165.db2.gz NQCWSTXSEFWPAN-BMIGLBTASA-N -1 3 396.871 3.660 50 0 GHAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)c(C)c1 ZINC000000673750 209258139 /nfs/dbraw/zinc/25/81/39/209258139.db2.gz ULIDVLHDBFPMGN-UHFFFAOYSA-N -1 3 386.395 3.913 50 0 GHAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1 ZINC000000674245 209257868 /nfs/dbraw/zinc/25/78/68/209257868.db2.gz HUHIEPMPFOWGPN-UHFFFAOYSA-N -1 3 386.429 3.731 50 0 GHAAHM CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(Cl)c1[O-] ZINC000000661777 209256348 /nfs/dbraw/zinc/25/63/48/209256348.db2.gz COYGKVHENJDWKU-OVCLIPMQSA-N -1 3 390.798 3.676 50 0 GHAAHM O=C1C(=O)N(c2cccnc2)[C@@H](c2ccccc2Cl)C1=C([O-])c1ccccc1 ZINC000245015201 209215266 /nfs/dbraw/zinc/21/52/66/209215266.db2.gz LQLIFPNCYWJSQV-MOPGFXCFSA-N -1 3 390.826 3.891 50 0 GHAAHM O=C([N-]c1ccc(F)c(F)c1F)c1ncn(-c2ccc(OC(F)F)cc2)n1 ZINC000261490602 212029642 /nfs/dbraw/zinc/02/96/42/212029642.db2.gz NNNZXCXJYZFIFI-UHFFFAOYSA-N -1 3 384.264 3.538 50 0 GHAAHM Cc1ncc(C(=O)N(CCc2c[nH]c3ccccc23)C2CCCCC2)c(=O)[n-]1 ZINC000091794556 211207975 /nfs/dbraw/zinc/20/79/75/211207975.db2.gz BBZNEPGBERMBER-UHFFFAOYSA-N -1 3 378.476 3.577 50 0 GHAAHM O=C(Cc1ccc([O-])c(Cl)c1)N[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000072143268 211076325 /nfs/dbraw/zinc/07/63/25/211076325.db2.gz AKQZPQXJIAYGRH-INIZCTEOSA-N -1 3 376.859 3.508 50 0 GHAAHM COc1ccc2cc([C@@H]3CN(C(=O)c4ccc([O-])c(OC)c4)CCO3)ccc2c1 ZINC000071747172 211052797 /nfs/dbraw/zinc/05/27/97/211052797.db2.gz BZQWCASMCBSCJV-QFIPXVFZSA-N -1 3 393.439 3.776 50 0 GHAAHM CCOC(CNCc1c2ccccc2n(Cc2ccccc2)c1C(=O)[O-])OCC ZINC000020379289 210332223 /nfs/dbraw/zinc/33/22/23/210332223.db2.gz FDGDEXFUGJPDPY-UHFFFAOYSA-N -1 3 396.487 3.877 50 0 GHAAHM CCC[C@H]1CCc2sc(C(=O)N3CCc4nc(C)[n-]c(=O)c4CC3)cc2C1 ZINC000426726945 528387002 /nfs/dbraw/zinc/38/70/02/528387002.db2.gz VABOWNQJQZCITR-AWEZNQCLSA-N -1 3 385.533 3.698 50 0 GHAAHM CCCN1c2ccc([N-]S(=O)(=O)c3ccc(OCC)cc3)cc2CCC1=O ZINC000008840561 535003481 /nfs/dbraw/zinc/00/34/81/535003481.db2.gz HBSSZTQVWVRUCD-UHFFFAOYSA-N -1 3 388.489 3.575 50 0 GHAAHM O=C1Nc2ccccc2/C1=C/c1nc2ccccc2c(=O)n1-c1ccccc1[O-] ZINC000050278203 570332974 /nfs/dbraw/zinc/33/29/74/570332974.db2.gz FALKNSZWVXVDHS-SSZFMOIBSA-N -1 3 381.391 3.584 50 0 GHAAHM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)cc1 ZINC000004884769 570354946 /nfs/dbraw/zinc/35/49/46/570354946.db2.gz VHPAZIVOUOYDLV-UHFFFAOYSA-N -1 3 384.501 3.739 50 0 GHAAHM CC(C)CN1CCO[C@@H](CSc2nnc([N-]c3ccccc3F)s2)C1 ZINC000023466448 570363277 /nfs/dbraw/zinc/36/32/77/570363277.db2.gz NBFWQKBYFSLDKP-CYBMUJFWSA-N -1 3 382.530 3.870 50 0 GHAAHM CN(C)[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1F)c1csc2ccccc21 ZINC000575620910 570369998 /nfs/dbraw/zinc/36/99/98/570369998.db2.gz MUDUEQGIKRNBOX-INIZCTEOSA-N -1 3 396.484 3.761 50 0 GHAAHM CCOC(=O)c1c(C)oc2nc(CN3CC=C(c4ccccc4)CC3)[n-]c(=O)c21 ZINC000023761909 570372073 /nfs/dbraw/zinc/37/20/73/570372073.db2.gz GWPOZFBPJYLYAW-UHFFFAOYSA-N -1 3 393.443 3.703 50 0 GHAAHM CC(C)(C)c1cc(NC(=O)COC(=O)c2ccc([O-])cc2)n(-c2ccccc2)n1 ZINC000005060957 570409240 /nfs/dbraw/zinc/40/92/40/570409240.db2.gz DIQOEXJACXCMQT-UHFFFAOYSA-N -1 3 393.443 3.671 50 0 GHAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000239347277 570429559 /nfs/dbraw/zinc/42/95/59/570429559.db2.gz MPPRMKQPZPPZQF-NJDAHSKKSA-N -1 3 388.398 3.877 50 0 GHAAHM Cc1c(C(=O)[N-]c2ncn(Cc3ccccc3)n2)oc2c1C(=O)CC(C)(C)C2 ZINC000054236776 570458663 /nfs/dbraw/zinc/45/86/63/570458663.db2.gz ZWYFIMIRPKYXBM-UHFFFAOYSA-N -1 3 378.432 3.635 50 0 GHAAHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(OCC)nn3)c2)cc1 ZINC000005204280 570506169 /nfs/dbraw/zinc/50/61/69/570506169.db2.gz WSJFMENSIMGRDY-UHFFFAOYSA-N -1 3 399.472 3.742 50 0 GHAAHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc3[nH]c(=O)[nH]c3cc2Cl)cc1 ZINC000035506192 570553427 /nfs/dbraw/zinc/55/34/27/570553427.db2.gz XDXDGVQYBOCPID-UHFFFAOYSA-N -1 3 379.869 3.608 50 0 GHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1N1CCCC1=O ZINC000005329579 570554699 /nfs/dbraw/zinc/55/46/99/570554699.db2.gz MSZRDIXLAOKBQC-UHFFFAOYSA-N -1 3 384.501 3.801 50 0 GHAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccncc2)c(C)c1 ZINC000229990773 570667880 /nfs/dbraw/zinc/66/78/80/570667880.db2.gz FVAZHGFOSSHRCS-BHDDXSALSA-N -1 3 399.450 3.750 50 0 GHAAHM Cc1ccc(OCc2ccc(C(=O)N3NC=C[C@@]3([O-])C(F)(F)F)o2)c(C)c1 ZINC000006922422 570706889 /nfs/dbraw/zinc/70/68/89/570706889.db2.gz XAFAELJDVXIHKI-QGZVFWFLSA-N -1 3 382.338 3.558 50 0 GHAAHM CC(=O)N1CCC2(CC1)N=C(c1ccccc1[O-])C[C@H](c1ccc(Cl)cc1)N2 ZINC000065298525 570787488 /nfs/dbraw/zinc/78/74/88/570787488.db2.gz LGEABCXSHGWXSN-LJQANCHMSA-N -1 3 397.906 3.908 50 0 biogenic GHAAHM C[C@H]1c2cc(S(=O)(=O)[N-]c3ccccc3Cl)cc3c2N(CCC3)C1=O ZINC000101079178 570794032 /nfs/dbraw/zinc/79/40/32/570794032.db2.gz DBSBOKCQMBKXTI-NSHDSACASA-N -1 3 376.865 3.537 50 0 GHAAHM CS(=O)(=O)[N-]c1ccc(-c2noc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000033122748 570815185 /nfs/dbraw/zinc/81/51/85/570815185.db2.gz ITXJFYQLWZDXLI-UHFFFAOYSA-N -1 3 383.351 3.794 50 0 GHAAHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000007214317 570816414 /nfs/dbraw/zinc/81/64/14/570816414.db2.gz XRHLZDYBRSFWFD-GOSISDBHSA-N -1 3 395.484 3.883 50 0 GHAAHM Cc1c([O-])ccc2c(C)c(CCC(=O)NCCc3ccc(F)cc3)c(=O)oc12 ZINC000004743443 570957395 /nfs/dbraw/zinc/95/73/95/570957395.db2.gz XJOLGTFUXFRZRK-UHFFFAOYSA-N -1 3 383.419 3.546 50 0 GHAAHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3cn4cccnc4n3)c2)cc1C ZINC000004809126 570997033 /nfs/dbraw/zinc/99/70/33/570997033.db2.gz KJFAZSLJXZBHFF-UHFFFAOYSA-N -1 3 394.456 3.514 50 0 GHAAHM O=C([O-])[C@@H](c1c[nH]c2ccccc21)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000032094765 862809287 /nfs/dbraw/zinc/80/92/87/862809287.db2.gz QNEOUKYGYHRGQP-MECCDNJOSA-N -1 3 375.472 3.625 50 0 GHAAHM O=C(Nc1cc(Cl)ccc1[O-])C(=O)NC(c1ccccc1)c1ccccc1 ZINC000040286189 856724885 /nfs/dbraw/zinc/72/48/85/856724885.db2.gz JTTDUAYZXSOUQS-UHFFFAOYSA-N -1 3 380.831 3.890 50 0 GHAAHM O=C(NN=Cc1cc(Br)ccc1[O-])c1ccc(Br)cc1 ZINC000254505216 916777536 /nfs/dbraw/zinc/77/75/36/916777536.db2.gz YBCVECBGJIPYML-UHFFFAOYSA-N -1 3 398.054 3.681 50 0 GHAAHM Cc1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3[O-])n2C)cc1 ZINC000018201335 210216811 /nfs/dbraw/zinc/21/68/11/210216811.db2.gz QUVMSLZXODIGMD-UHFFFAOYSA-N -1 3 388.880 3.880 50 0 GHAAHM CCc1cc2c(CSc3nnnn3C3CCCCC3)cc(=O)oc2cc1[O-] ZINC000016295282 210188427 /nfs/dbraw/zinc/18/84/27/210188427.db2.gz DEQKTCIPTDTRSE-UHFFFAOYSA-N -1 3 386.477 3.845 50 0 GHAAHM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)c1ccsc1 ZINC000012807056 210013911 /nfs/dbraw/zinc/01/39/11/210013911.db2.gz GOJGICNEEVEZPV-UHFFFAOYSA-N -1 3 376.434 3.940 50 0 GHAAHM CCCOc1ccc([C@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1OC ZINC000002801917 209386850 /nfs/dbraw/zinc/38/68/50/209386850.db2.gz ATSXTPFQAGOKOC-YLJYHZDGSA-N -1 3 380.444 3.654 50 0 biogenic,in-vitro GHAAHM O=c1[n-]c(=O)n(Cc2ccccc2)c2nc(-c3ccco3)cc(C(F)(F)F)c12 ZINC000002649255 209375427 /nfs/dbraw/zinc/37/54/27/209375427.db2.gz QUOWDXHAGKTZNY-UHFFFAOYSA-N -1 3 387.317 3.824 50 0 GHAAHM O=C(c1cccc(Br)c1)N1NC2=C(CCCC2)[C@]1([O-])C(F)(F)F ZINC000001212537 209314974 /nfs/dbraw/zinc/31/49/74/209314974.db2.gz UIHYJGUXVZAWCI-FZMZJTMJSA-N -1 3 391.187 3.702 50 0 GHAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1c(C)[nH]c2c1cccc2C ZINC000001074497 209297233 /nfs/dbraw/zinc/29/72/33/209297233.db2.gz DCUWMYZHCMHVBM-UHFFFAOYSA-N -1 3 392.908 3.968 50 0 GHAAHM COc1ccc(-n2ncc3c2nc(SCCc2ccccc2)[n-]c3=O)cc1 ZINC000009522056 209275726 /nfs/dbraw/zinc/27/57/26/209275726.db2.gz DLRGMSKWGFJREV-UHFFFAOYSA-N -1 3 378.457 3.865 50 0 GHAAHM COc1ccc(-c2ccnc3c(-c4ccc(OC)c(OC)c4)cnn32)c([O-])c1 ZINC000095472241 211247577 /nfs/dbraw/zinc/24/75/77/211247577.db2.gz LMZYBAJSJWGVCL-UHFFFAOYSA-N -1 3 377.400 3.795 50 0 GHAAHM COc1cc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C(C)C)ccc1OC(C)C ZINC000095473075 211247232 /nfs/dbraw/zinc/24/72/32/211247232.db2.gz MIGBLYYEESSBMA-KRWDZBQOSA-N -1 3 391.493 3.977 50 0 GHAAHM COc1cc(/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc(Cl)c1OC(F)F ZINC000052933544 211216866 /nfs/dbraw/zinc/21/68/66/211216866.db2.gz VWXNGTIRQNJQFF-WUXMJOGZSA-N -1 3 379.746 3.761 50 0 GHAAHM CCn1c(SCc2nc(-c3ccc(C)cc3)oc2C)nc2c1nc[n-]c2=O ZINC000085703874 211177615 /nfs/dbraw/zinc/17/76/15/211177615.db2.gz FLADOGLDKDSQGV-UHFFFAOYSA-N -1 3 381.461 3.704 50 0 GHAAHM Cc1ccc2c(c1)CCCN2C(=O)CCc1c(C)nc(-c2ccccc2)[n-]c1=O ZINC000026934107 210507376 /nfs/dbraw/zinc/50/73/76/210507376.db2.gz MEQUQRNUQUKQLD-UHFFFAOYSA-N -1 3 387.483 3.966 50 0 GHAAHM Cc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3F)c2)n1 ZINC000024716062 210470247 /nfs/dbraw/zinc/47/02/47/210470247.db2.gz RYWMBXKZUHNJEG-UHFFFAOYSA-N -1 3 399.447 3.891 50 0 GHAAHM O=C(CCc1ccccc1O)N1NC(C2CCCCC2)=C[C@@]1([O-])C(F)(F)F ZINC000020440003 210333154 /nfs/dbraw/zinc/33/31/54/210333154.db2.gz PPQNIQHHWURDNM-GOSISDBHSA-N -1 3 384.398 3.744 50 0 GHAAHM CN1CCC(Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000067602142 222149804 /nfs/dbraw/zinc/14/98/04/222149804.db2.gz OOJARFNORFPUJQ-UHFFFAOYSA-N -1 3 380.897 3.614 50 0 GHAAHM CCOC(=O)[C@@]([N-]c1cccc(C)c1)(NC(=O)c1ccccc1)C(F)(F)F ZINC000003138028 570330327 /nfs/dbraw/zinc/33/03/27/570330327.db2.gz PNTKESUTOCDXCC-GOSISDBHSA-N -1 3 380.366 3.659 50 0 GHAAHM O=S(=O)([N-]C[C@H](O)c1ccc(-c2ccsc2)o1)c1ccc(Cl)s1 ZINC000575610068 570333028 /nfs/dbraw/zinc/33/30/28/570333028.db2.gz JXLXWSYIRFEXFT-JTQLQIEISA-N -1 3 389.907 3.735 50 0 GHAAHM COC(=O)c1ccc(-c2ccc(/C=C3/[N-]C(=O)N(c4ccccc4)C3=O)o2)cc1 ZINC000003639660 570349208 /nfs/dbraw/zinc/34/92/08/570349208.db2.gz XCZLHOFRDWSRCH-QGOAFFKASA-N -1 3 388.379 3.831 50 0 GHAAHM COc1cc([C@@]([O-])(c2nc3ccccc3s2)C(F)(F)F)c(OC)cc1N ZINC000024927149 570398852 /nfs/dbraw/zinc/39/88/52/570398852.db2.gz BMLFOCKQKXBHOO-MRXNPFEDSA-N -1 3 384.379 3.694 50 0 GHAAHM Cc1ccc(OCC(=O)N2NC(CCC(C)C)=C[C@@]2([O-])C(F)(F)F)cc1C ZINC000005024523 570399116 /nfs/dbraw/zinc/39/91/16/570399116.db2.gz XZXMRXAUEBOFKL-GOSISDBHSA-N -1 3 386.414 3.958 50 0 GHAAHM CCCC(=O)Nc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000013015879 570418456 /nfs/dbraw/zinc/41/84/56/570418456.db2.gz POJYAXNKOCEXCO-UHFFFAOYSA-N -1 3 382.869 3.888 50 0 GHAAHM Cc1nn(-c2cccc(C)c2C)c2c1[C@@H](C(=O)c1ccc([O-])cc1)CC(=O)N2 ZINC000064450225 570464366 /nfs/dbraw/zinc/46/43/66/570464366.db2.gz IPYRXNWMOWWGBL-KRWDZBQOSA-N -1 3 375.428 3.812 50 0 GHAAHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC4CC4)CC3)cc2)cc1 ZINC000033115517 570520561 /nfs/dbraw/zinc/52/05/61/570520561.db2.gz HHOYOPOWJNNOHA-UHFFFAOYSA-N -1 3 398.528 3.750 50 0 GHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CCC2)cc1 ZINC000006935307 570713804 /nfs/dbraw/zinc/71/38/04/570713804.db2.gz ZBCGAVNUNAMWSX-OAHLLOKOSA-N -1 3 384.501 3.874 50 0 GHAAHM Cc1cc(S(=O)(=O)[N-]c2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c(C)s1 ZINC000128934964 570725998 /nfs/dbraw/zinc/72/59/98/570725998.db2.gz UEJXKZRAZYCZAA-HNNXBMFYSA-N -1 3 377.491 3.894 50 0 GHAAHM CCCc1nnsc1C(=O)[N-]c1nc(-c2cc(OC)ccc2OC)cs1 ZINC000036709449 570798491 /nfs/dbraw/zinc/79/84/91/570798491.db2.gz LRTXYHJHTFXKGO-UHFFFAOYSA-N -1 3 390.490 3.884 50 0 GHAAHM CCc1cc2c(CSc3nnc(-c4ccco4)n3C)cc(=O)oc2cc1[O-] ZINC000005864285 570798471 /nfs/dbraw/zinc/79/84/71/570798471.db2.gz FOSSINLFBKGLQK-UHFFFAOYSA-N -1 3 383.429 3.742 50 0 GHAAHM CCC[C@@H]1[C@H]2C(=O)N(c3ccccc3OCC)C([O-])=C2ON1c1ccccc1 ZINC000101146495 570816232 /nfs/dbraw/zinc/81/62/32/570816232.db2.gz DYGSNVAEYHBMBN-RLLQIKCJSA-N -1 3 380.444 3.564 50 0 GHAAHM O=C(CCCOC(=O)c1ccc([O-])cc1O)c1ccc(Br)cc1 ZINC000007255269 570821182 /nfs/dbraw/zinc/82/11/82/570821182.db2.gz FGFIMMPAQOPYJB-UHFFFAOYSA-N -1 3 379.206 3.680 50 0 GHAAHM O=c1nc(CSc2nnc3n2CCCCC3)[n-]c2scc(-c3ccco3)c21 ZINC000012599257 570885885 /nfs/dbraw/zinc/88/58/85/570885885.db2.gz AVUHMEXGKOEOPL-UHFFFAOYSA-N -1 3 399.501 3.855 50 0 GHAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccncc2)cc1C ZINC000103561078 570886573 /nfs/dbraw/zinc/88/65/73/570886573.db2.gz NEBBSDCKUABBMX-BHDDXSALSA-N -1 3 399.450 3.750 50 0 GHAAHM CC(=O)N(c1nc(C)c(C(=O)[N-]c2nnc(C(C)C)s2)s1)C1CCCC1 ZINC000044892918 570980829 /nfs/dbraw/zinc/98/08/29/570980829.db2.gz FTTUBLVCUDUTSC-UHFFFAOYSA-N -1 3 393.538 3.974 50 0 GHAAHM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC(C)C)ccc1F ZINC000008840865 856380619 /nfs/dbraw/zinc/38/06/19/856380619.db2.gz VZVLAIZQUAIOBQ-UHFFFAOYSA-N -1 3 390.480 3.870 50 0 GHAAHM Cc1cccc(OCCSc2nc(-c3ccccc3C)nc3cc(=O)[n-]n32)c1 ZINC000009640599 857271238 /nfs/dbraw/zinc/27/12/38/857271238.db2.gz YTELBFHXELRUQW-UHFFFAOYSA-N -1 3 392.484 3.873 50 0 GHAAHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3cccc(O)c3)nc(=O)c2c1C ZINC000033408634 892639651 /nfs/dbraw/zinc/63/96/51/892639651.db2.gz UJQXFPNJCQWQBE-YRNVUSSQSA-N -1 3 376.821 3.934 50 0 GHAAHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3ccc(OC)cc3)nc(=O)c2c1C ZINC000007488917 919327945 /nfs/dbraw/zinc/32/79/45/919327945.db2.gz PZLCGVOYTNGWOX-WQLSENKSSA-N -1 3 390.848 3.825 50 0 GHAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC(C)C)CC3)cc2)cc1 ZINC000015869447 210178399 /nfs/dbraw/zinc/17/83/99/210178399.db2.gz LRIIPLOFDGVLMV-UHFFFAOYSA-N -1 3 386.517 3.606 50 0 GHAAHM Cc1cc(C)n2nc(C(=O)[N-]c3nc(-c4ccc(Cl)cc4)cs3)nc2n1 ZINC000014698733 210123718 /nfs/dbraw/zinc/12/37/18/210123718.db2.gz NDBUTNQRNCAMBA-UHFFFAOYSA-N -1 3 384.852 3.770 50 0 GHAAHM Cc1c([O-])ccc2c(CN(C)CC(=O)Nc3ccc(Cl)cc3)cc(=O)oc12 ZINC000013038991 210048234 /nfs/dbraw/zinc/04/82/34/210048234.db2.gz SRLYPNVIIXZQHB-UHFFFAOYSA-N -1 3 386.835 3.531 50 0 GHAAHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(F)cc1F ZINC000013008267 210046382 /nfs/dbraw/zinc/04/63/82/210046382.db2.gz WDBTZVJZYRYDON-UHFFFAOYSA-N -1 3 383.416 3.850 50 0 GHAAHM O=S(=O)([N-]c1ccc(OC2CCCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000010112658 209853223 /nfs/dbraw/zinc/85/32/23/209853223.db2.gz GZKVZMJNROGGAQ-UHFFFAOYSA-N -1 3 375.446 3.580 50 0 GHAAHM CCOC(=O)c1c(C)[nH]c(C(=O)CSc2n[n-]c(-c3cccs3)n2)c1C ZINC000005996205 209625919 /nfs/dbraw/zinc/62/59/19/209625919.db2.gz WWDMGKHBAGKXNO-UHFFFAOYSA-N -1 3 390.490 3.630 50 0 GHAAHM CCOC(=O)[C@]([N-]c1ccc(Cl)c(Cl)c1)(NC(=O)CC)C(F)(F)F ZINC000002275283 209353619 /nfs/dbraw/zinc/35/36/19/209353619.db2.gz PRQNJAJISBQTBA-ZDUSSCGKSA-N -1 3 387.185 3.753 50 0 GHAAHM COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@@H](C)C(C)(C)C)cc(Cl)c1[O-] ZINC000000716218 209261833 /nfs/dbraw/zinc/26/18/33/209261833.db2.gz NQCWSTXSEFWPAN-BONVTDFDSA-N -1 3 396.871 3.660 50 0 GHAAHM Cc1nc(CNC(=O)C[C@@H](c2ccccc2)c2cccc(Cl)c2)cc(=O)[n-]1 ZINC000095496526 211250026 /nfs/dbraw/zinc/25/00/26/211250026.db2.gz KNPONXFWVICPHB-IBGZPJMESA-N -1 3 381.863 3.570 50 0 GHAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)CS[C@H]2c1cccc(Br)c1 ZINC000095477910 211248061 /nfs/dbraw/zinc/24/80/61/211248061.db2.gz ULGPGYPJVWPIRZ-ZDUSSCGKSA-N -1 3 382.283 3.944 50 0 GHAAHM Cc1cc([N-]C(=O)[C@H](C)OC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)on1 ZINC000089608758 211181252 /nfs/dbraw/zinc/18/12/52/211181252.db2.gz VFLCYEKUVJUXNH-UHTWSYAYSA-N -1 3 382.338 3.676 50 0 GHAAHM O=S(=O)([N-]Cc1ccccc1)c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1 ZINC000085664790 211176914 /nfs/dbraw/zinc/17/69/14/211176914.db2.gz HMXXQAGNSBIRJX-UHFFFAOYSA-N -1 3 387.408 3.636 50 0 GHAAHM COc1ccc(-c2n[nH]cc2[C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C(C)C)cc1 ZINC000079474698 211156535 /nfs/dbraw/zinc/15/65/35/211156535.db2.gz USLNMYJLBMKUAS-KRWDZBQOSA-N -1 3 399.476 3.993 50 0 GHAAHM c1nc(-c2ccccc2)c(-c2ccncc2)n1Cc1cccc(-c2nnn[n-]2)c1 ZINC000067675364 211015311 /nfs/dbraw/zinc/01/53/11/211015311.db2.gz BVKITGRBVUZCSQ-UHFFFAOYSA-N -1 3 379.427 3.841 50 0 GHAAHM c1nc(-c2ccccc2)c(-c2ccncc2)n1Cc1cccc(-c2nn[n-]n2)c1 ZINC000067675364 211015313 /nfs/dbraw/zinc/01/53/13/211015313.db2.gz BVKITGRBVUZCSQ-UHFFFAOYSA-N -1 3 379.427 3.841 50 0 GHAAHM Cc1cc(Cl)ccc1NC(=O)[C@H]([N-]S(=O)(=O)c1cccs1)C(C)C ZINC000021052043 210377425 /nfs/dbraw/zinc/37/74/25/210377425.db2.gz SIHNQTXCXGZQSS-OAHLLOKOSA-N -1 3 386.926 3.652 50 0 GHAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(N3CCCCC3=O)c2)cc1 ZINC000005330121 535401060 /nfs/dbraw/zinc/40/10/60/535401060.db2.gz AYVQZTKANLDXSW-UHFFFAOYSA-N -1 3 388.489 3.711 50 0 GHAAHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(NC(=O)C3CC3)ccc2C)c(C)c1 ZINC000048354333 570241560 /nfs/dbraw/zinc/24/15/60/570241560.db2.gz FQQMEAAOZDCFJF-UHFFFAOYSA-N -1 3 388.489 3.770 50 0 GHAAHM COc1cc(CN2CCN(c3ccc(F)cc3)CC2)cc(Br)c1[O-] ZINC000055543167 570351348 /nfs/dbraw/zinc/35/13/48/570351348.db2.gz CZQHAEFNGUJUDL-UHFFFAOYSA-N -1 3 395.272 3.625 50 0 GHAAHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)cc1OC ZINC000026535169 570426606 /nfs/dbraw/zinc/42/66/06/570426606.db2.gz CXUQWMZBFPDLAL-UHFFFAOYSA-N -1 3 391.276 3.702 50 0 GHAAHM [O-]c1ccc2c(c1)Oc1ncn3nc(-c4cccnc4)nc3c1[C@@H]2c1ccco1 ZINC000005346346 570434945 /nfs/dbraw/zinc/43/49/45/570434945.db2.gz DCAMFFIHFKUVHA-KRWDZBQOSA-N -1 3 383.367 3.771 50 0 GHAAHM CC(C)Cc1nnc(NC(=O)c2cc(=O)c(OCc3ccccc3)c[n-]2)s1 ZINC000061718708 570501745 /nfs/dbraw/zinc/50/17/45/570501745.db2.gz PVQWHDGVYWALLM-UHFFFAOYSA-N -1 3 384.461 3.669 50 0 GHAAHM O=S(=O)([N-]Cc1cccn1Cc1ccccc1F)c1ccc(Cl)s1 ZINC000064665051 570514037 /nfs/dbraw/zinc/51/40/37/570514037.db2.gz MZTKSFFJEMVRCJ-UHFFFAOYSA-N -1 3 384.885 3.869 50 0 GHAAHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC4CC4)CC3)cc2)cc1 ZINC000033115514 570520639 /nfs/dbraw/zinc/52/06/39/570520639.db2.gz MZDHPNFQRJTSQA-UHFFFAOYSA-N -1 3 398.528 3.921 50 0 GHAAHM Cc1ccc(CNCc2cccn2-c2c(C(=O)[O-])cnn2-c2ccccc2)cc1 ZINC000006750638 570568481 /nfs/dbraw/zinc/56/84/81/570568481.db2.gz MRSJFZOOMYMHDT-UHFFFAOYSA-N -1 3 386.455 3.959 50 0 GHAAHM COCCC1=C[C@]([O-])(C(F)(F)F)N(c2ncc(C(F)(F)F)cc2Cl)N1 ZINC000005447516 570596938 /nfs/dbraw/zinc/59/69/38/570596938.db2.gz ZMGUMCCJIQIXQJ-NSHDSACASA-N -1 3 391.699 3.607 50 0 GHAAHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000005788578 570690310 /nfs/dbraw/zinc/69/03/10/570690310.db2.gz PCZDVSCKWMGMMA-MBNYWOFBSA-N -1 3 390.343 3.951 50 0 GHAAHM O=S(=O)([N-]Cc1ccc([C@@H](O)c2ccco2)s1)c1ccc(Cl)s1 ZINC000206685749 570717600 /nfs/dbraw/zinc/71/76/00/570717600.db2.gz XKAFXLUBIDAAAN-AWEZNQCLSA-N -1 3 389.907 3.616 50 0 GHAAHM CC(=O)N1CCC2(CC1)N=C(c1ccccc1[O-])C[C@H](c1ccc(C)cc1C)N2 ZINC000065298615 570787408 /nfs/dbraw/zinc/78/74/08/570787408.db2.gz CXZIEHBPYVQEGT-OAQYLSRUSA-N -1 3 391.515 3.871 50 0 biogenic GHAAHM COc1ccccc1-c1nc([N-]C(=O)c2sccc2Br)n[nH]1 ZINC000052779177 570817391 /nfs/dbraw/zinc/81/73/91/570817391.db2.gz KNQRSADBYVRYRN-UHFFFAOYSA-N -1 3 379.239 3.557 50 0 GHAAHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000007376052 570831360 /nfs/dbraw/zinc/83/13/60/570831360.db2.gz XTAZMNXWFDPPGW-UHFFFAOYSA-N -1 3 376.316 3.849 50 0 GHAAHM Cc1cc([N-]C(=O)[C@H](C)OC(=O)c2c3cc(C)ccc3nc3c2CCCC3)on1 ZINC000014567568 570849644 /nfs/dbraw/zinc/84/96/44/570849644.db2.gz UBGIPEBAIZHTNX-AWEZNQCLSA-N -1 3 393.443 3.902 50 0 GHAAHM COc1cc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc(Cl)c1[O-] ZINC000012556282 570859704 /nfs/dbraw/zinc/85/97/04/570859704.db2.gz XYFWAKQHGMSDFA-ORAYPTAESA-N -1 3 388.851 3.800 50 0 GHAAHM COc1cc([C@@H](C)[N-]c2nc(-c3cccc(Cl)c3)no2)ccc1OCCO ZINC000170623119 570881301 /nfs/dbraw/zinc/88/13/01/570881301.db2.gz NWBQZSWZMAXXPR-GFCCVEGCSA-N -1 3 389.839 3.943 50 0 GHAAHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000006267989 570937737 /nfs/dbraw/zinc/93/77/37/570937737.db2.gz PLOVTCCWNSMGHN-UHFFFAOYSA-N -1 3 392.786 3.983 50 0 GHAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](OC)c1ccc(Cl)s1 ZINC000225706449 570994139 /nfs/dbraw/zinc/99/41/39/570994139.db2.gz QEBVVNZUNWIIJZ-LLVKDONJSA-N -1 3 396.317 3.730 50 0 GHAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1-c1nc(CC)no1 ZINC000046020125 571012157 /nfs/dbraw/zinc/01/21/57/571012157.db2.gz JTPWTWKKOLUIIJ-UHFFFAOYSA-N -1 3 387.461 3.807 50 0 GHAAHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)[C@H](C)O3)c(C)c1C ZINC000007729398 571024678 /nfs/dbraw/zinc/02/46/78/571024678.db2.gz GLNPGCLTGYDZQD-HNNXBMFYSA-N -1 3 388.489 3.749 50 0 GHAAHM CC[C@@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)c1cccc(Cl)c1 ZINC000056762234 861767862 /nfs/dbraw/zinc/76/78/62/861767862.db2.gz WABDVPVRQRUXNR-GOSISDBHSA-N -1 3 396.878 3.604 50 0 GHAAHM Cc1cccc([C@H]2CC(c3ccccc3[N-]S(C)(=O)=O)=NN2C(=O)C(C)C)c1 ZINC000079112502 849314038 /nfs/dbraw/zinc/31/40/38/849314038.db2.gz WCIIJXYXNZPNOM-HXUWFJFHSA-N -1 3 399.516 3.700 50 0 GHAAHM Cc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(C/C=C/c4ccccc4)CC3)c2c1 ZINC000032073880 862799033 /nfs/dbraw/zinc/79/90/33/862799033.db2.gz TVPPQQBMTHCFRE-GPVJQRHHSA-N -1 3 389.499 3.933 50 0 GHAAHM Cc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OCc3cccc(Cl)c3)cc1)CC(=O)N2 ZINC000008994368 856694874 /nfs/dbraw/zinc/69/48/74/856694874.db2.gz VNIJBXRPKDLQLB-KRWDZBQOSA-N -1 3 395.846 3.785 50 0 GHAAHM O=S(=O)([N-]C[C@](O)(c1cccs1)C1CC1)c1cc(Cl)ccc1Cl ZINC000077099531 859508375 /nfs/dbraw/zinc/50/83/75/859508375.db2.gz BGLGNXRCIYUAPC-OAHLLOKOSA-N -1 3 392.329 3.631 50 0 GHAAHM O=C([N-]c1nc[nH]n1)c1cc(-c2cccs2)nc2onc(-c3ccccc3)c21 ZINC000013641382 210074757 /nfs/dbraw/zinc/07/47/57/210074757.db2.gz AXXYDGAJOQSYAE-UHFFFAOYSA-N -1 3 388.412 3.989 50 0 GHAAHM O=C([N-]c1nnc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)s1)c1cccs1 ZINC000012862592 210019846 /nfs/dbraw/zinc/01/98/46/210019846.db2.gz KWPSROBWSWPGLK-JTQLQIEISA-N -1 3 388.449 3.512 50 0 GHAAHM Cc1ccnc2nc(C(=O)[N-]c3ccccc3SCc3ccccc3)nn21 ZINC000012800514 210011810 /nfs/dbraw/zinc/01/18/10/210011810.db2.gz JIVXLKLIVYXWCD-UHFFFAOYSA-N -1 3 375.457 3.977 50 0 GHAAHM O=C(Nc1ccc(Oc2ccc3c(c2)C(=O)[N-]C3=O)cc1)c1ccccc1F ZINC000002846375 209391989 /nfs/dbraw/zinc/39/19/89/209391989.db2.gz JOAAXULXIUKFPD-UHFFFAOYSA-N -1 3 376.343 3.754 50 0 GHAAHM COC(=O)c1c2c(sc1[N-]C(=O)c1c(F)c(F)c(F)c(F)c1F)CCC2 ZINC000002767257 209384244 /nfs/dbraw/zinc/38/42/44/209384244.db2.gz DLABXQBHRSVQMW-UHFFFAOYSA-N -1 3 391.317 3.971 50 0 GHAAHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)cc1 ZINC000001164852 209308737 /nfs/dbraw/zinc/30/87/37/209308737.db2.gz LGEBIJZBUIMOEE-UHFFFAOYSA-N -1 3 383.429 3.633 50 0 GHAAHM CC(C)CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2cccc(Br)c2)N1 ZINC000001151753 209307486 /nfs/dbraw/zinc/30/74/86/209307486.db2.gz HKXITKXHAMYOQS-AWEZNQCLSA-N -1 3 393.203 3.948 50 0 GHAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)c3ccc(N4CCCC4)cc3)cc2O1 ZINC000001050274 209294203 /nfs/dbraw/zinc/29/42/03/209294203.db2.gz COCVZFPINSYOOK-UHFFFAOYSA-N -1 3 395.455 3.998 50 0 GHAAHM O=C1C=C([O-])[C@H](n2cncn2)[C@H](c2ccccc2Oc2cccc(Cl)c2)C1 ZINC000100325448 211385590 /nfs/dbraw/zinc/38/55/90/211385590.db2.gz XDHIDACLRRTDAK-FXAWDEMLSA-N -1 3 381.819 3.981 50 0 GHAAHM Cc1cc(-c2cc(S(=O)(=O)[N-]c3ccccc3Br)c(C)o2)n[nH]1 ZINC000096386739 211338482 /nfs/dbraw/zinc/33/84/82/211338482.db2.gz UXGLMZCRFZQGAS-UHFFFAOYSA-N -1 3 396.266 3.850 50 0 GHAAHM CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2cccs2)CCO1 ZINC000096117909 211302677 /nfs/dbraw/zinc/30/26/77/211302677.db2.gz OTUPUQZPPFEBOK-QMTHXVAHSA-N -1 3 379.507 3.555 50 0 GHAAHM CS(=O)(=O)[N-]c1cc(C(=O)Nc2nc(-c3ccccc3)cs2)ccc1F ZINC000095939001 211284659 /nfs/dbraw/zinc/28/46/59/211284659.db2.gz ITYIZTFYNZLKBS-UHFFFAOYSA-N -1 3 391.449 3.573 50 0 GHAAHM CCOc1ccccc1CN1CCC(C(=O)[O-])(n2ccc(C(C)(C)C)n2)CC1 ZINC000077391953 211133231 /nfs/dbraw/zinc/13/32/31/211133231.db2.gz HYIMDSXATCPUKY-UHFFFAOYSA-N -1 3 385.508 3.655 50 0 GHAAHM O=C([O-])[C@H]1C[C@H](C(=O)Nc2ccc(F)cc2)CN(Cc2cc3ccccc3o2)C1 ZINC000071755110 211059050 /nfs/dbraw/zinc/05/90/50/211059050.db2.gz QUBKVKLVPOZJFK-HOTGVXAUSA-N -1 3 396.418 3.733 50 0 GHAAHM COc1ccc(-n2cc(C(=O)Nc3ccccc3[O-])c3ccccc3c2=O)cc1 ZINC000071285742 211043797 /nfs/dbraw/zinc/04/37/97/211043797.db2.gz GEGGDXKZAMGYRX-UHFFFAOYSA-N -1 3 386.407 3.957 50 0 GHAAHM c1cc(-c2c(-c3ccccc3)ncn2CCCc2nnn[n-]2)n(-c2ccccn2)c1 ZINC000067722903 211019151 /nfs/dbraw/zinc/01/91/51/211019151.db2.gz XHORVRUYUNWIFY-UHFFFAOYSA-N -1 3 396.458 3.549 50 0 GHAAHM c1cc(-c2c(-c3ccccc3)ncn2CCCc2nn[n-]n2)n(-c2ccccn2)c1 ZINC000067722903 211019155 /nfs/dbraw/zinc/01/91/55/211019155.db2.gz XHORVRUYUNWIFY-UHFFFAOYSA-N -1 3 396.458 3.549 50 0 GHAAHM CC(C)OCCC[N-]S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000020977806 210370528 /nfs/dbraw/zinc/37/05/28/210370528.db2.gz YNVGFXMXRLETQD-UHFFFAOYSA-N -1 3 398.428 3.515 50 0 GHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2cccc(OCc3ccccc3C)c2)S1 ZINC000020896538 210367020 /nfs/dbraw/zinc/36/70/20/210367020.db2.gz OPXNRADXGNGBSS-IBGZPJMESA-N -1 3 383.473 3.575 50 0 GHAAHM COc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(c4ccc(C)cc4C)CC3)c2c1 ZINC000020728763 210358015 /nfs/dbraw/zinc/35/80/15/210358015.db2.gz VYSLWXWIRIVTEX-JOCHJYFZSA-N -1 3 393.487 3.741 50 0 GHAAHM CC(C)[C@@H](CO)N(C)C(=O)c1cccc(-c2ccc([O-])c(-c3ccno3)c2)c1 ZINC000426389612 528472654 /nfs/dbraw/zinc/47/26/54/528472654.db2.gz JPRDTTRUFKIDSB-LJQANCHMSA-N -1 3 380.444 3.803 50 0 GHAAHM CSc1nnc2c(n1)O[C@]1([N-]c3ccccc3-2)C(=O)Nc2ccc(Cl)cc21 ZINC000003653269 570349671 /nfs/dbraw/zinc/34/96/71/570349671.db2.gz MGSLRGCQQVYLTR-SFHVURJKSA-N -1 3 397.847 3.523 50 0 biogenic GHAAHM CC(C)CN1CCO[C@H](CSc2nnc([N-]c3ccccc3F)s2)C1 ZINC000023466449 570363354 /nfs/dbraw/zinc/36/33/54/570363354.db2.gz NBFWQKBYFSLDKP-ZDUSSCGKSA-N -1 3 382.530 3.870 50 0 GHAAHM O=C(CSc1n[n-]c(-c2ccccn2)n1)Nc1ccc(Cl)cc1Cl ZINC000004488122 570378051 /nfs/dbraw/zinc/37/80/51/570378051.db2.gz RJEZOSPCKQCIOF-UHFFFAOYSA-N -1 3 380.260 3.904 50 0 GHAAHM CCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(CCOC)CCC3)cc1 ZINC000035588213 570402373 /nfs/dbraw/zinc/40/23/73/570402373.db2.gz BDIUTWAIVHLUCY-UHFFFAOYSA-N -1 3 388.533 3.839 50 0 GHAAHM CCc1cc2c(CN3CCc4cc(OC)c(OC)cc4C3)cc(=O)oc2cc1[O-] ZINC000025638425 570417386 /nfs/dbraw/zinc/41/73/86/570417386.db2.gz AYMLWBQNIDJVFD-UHFFFAOYSA-N -1 3 395.455 3.637 50 0 GHAAHM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1cccc(Br)c1)C(=O)C2 ZINC000005249311 570432611 /nfs/dbraw/zinc/43/26/11/570432611.db2.gz HCGSDWMMJYKWLJ-BDJLRTHQSA-N -1 3 386.311 3.586 50 0 GHAAHM [O-]c1ccc2c(c1)Oc1ncn3nc(-c4cccnc4)nc3c1[C@H]2c1ccco1 ZINC000005346345 570434984 /nfs/dbraw/zinc/43/49/84/570434984.db2.gz DCAMFFIHFKUVHA-QGZVFWFLSA-N -1 3 383.367 3.771 50 0 GHAAHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc2)n1 ZINC000064342356 570439961 /nfs/dbraw/zinc/43/99/61/570439961.db2.gz WIFQKHTZPCHUES-UHFFFAOYSA-N -1 3 387.361 3.945 50 0 GHAAHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(C(C)C)cc2)s1 ZINC000030008668 570484610 /nfs/dbraw/zinc/48/46/10/570484610.db2.gz ASINDDRVQSOKCQ-ZDUSSCGKSA-N -1 3 380.535 3.547 50 0 GHAAHM CC[C@H](C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)CC1 ZINC000033274540 570523008 /nfs/dbraw/zinc/52/30/08/570523008.db2.gz ZENKJBNNAAWGFQ-INIZCTEOSA-N -1 3 386.517 3.742 50 0 GHAAHM O=C([N-]N(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000096602444 570647772 /nfs/dbraw/zinc/64/77/72/570647772.db2.gz YBLSWNQOGCYBJQ-UHFFFAOYSA-N -1 3 378.344 3.986 50 0 GHAAHM Cc1c(=O)[n-]c(-c2ccc(CN(C)Cc3cnn(C)c3)cc2)nc1C(F)(F)F ZINC000048115506 570655275 /nfs/dbraw/zinc/65/52/75/570655275.db2.gz LQKAGMZYQXIYRP-UHFFFAOYSA-N -1 3 391.397 3.542 50 0 GHAAHM CCCn1nccc1-c1csc(S(=O)(=O)[N-]Cc2cccc(F)c2)c1 ZINC000065112544 570702219 /nfs/dbraw/zinc/70/22/19/570702219.db2.gz FGINHPDSFLPAKT-UHFFFAOYSA-N -1 3 379.482 3.639 50 0 GHAAHM Cc1cccc(-c2nc3cc(=O)[n-]n3c(SCCOc3ccccc3C)n2)c1 ZINC000006915696 570706157 /nfs/dbraw/zinc/70/61/57/570706157.db2.gz VSGDELMIZFJLSN-UHFFFAOYSA-N -1 3 392.484 3.873 50 0 GHAAHM Cc1ccc(OCc2ccc(C(=O)N3NC=C[C@]3([O-])C(F)(F)F)o2)cc1C ZINC000006923848 570707030 /nfs/dbraw/zinc/70/70/30/570707030.db2.gz AWMJODNKESEFPV-KRWDZBQOSA-N -1 3 382.338 3.558 50 0 GHAAHM Cc1nnc(-c2c(C)n(C)c(C)c2S(=O)(=O)[N-]c2ccc(C)cc2Cl)o1 ZINC000065194088 570725645 /nfs/dbraw/zinc/72/56/45/570725645.db2.gz UWTGSRRBLUGGCQ-UHFFFAOYSA-N -1 3 394.884 3.763 50 0 GHAAHM O=S(=O)([N-]Cc1ccc2c(c1)OCO2)c1ccc(Cl)cc1C(F)(F)F ZINC000005938579 570805676 /nfs/dbraw/zinc/80/56/76/570805676.db2.gz UECXZEJHSPGUGJ-UHFFFAOYSA-N -1 3 393.770 3.566 50 0 GHAAHM CC1CCN(Cc2cc(=O)n3nc(-c4ccc(C(C)(C)C)cc4)[n-]c3n2)CC1 ZINC000101747750 570832166 /nfs/dbraw/zinc/83/21/66/570832166.db2.gz AGMAMILQUIRNRM-UHFFFAOYSA-N -1 3 379.508 3.614 50 0 GHAAHM O=C(CSc1n[n-]c(-c2cccs2)n1)Nc1ccccc1N1CCCC1 ZINC000012558508 570860562 /nfs/dbraw/zinc/86/05/62/570860562.db2.gz FMKXSIQZJNHKCE-UHFFFAOYSA-N -1 3 385.518 3.864 50 0 GHAAHM CCCCOc1ccc([C@@]([O-])(C(=O)OC)C(F)(F)F)c(OCCCC)c1 ZINC000003622525 570878208 /nfs/dbraw/zinc/87/82/08/570878208.db2.gz QQAOGONVISMCNW-QGZVFWFLSA-N -1 3 378.387 3.967 50 0 GHAAHM Cc1cc([N-]C(=O)COC(=O)c2ccc(SCc3cscn3)cc2)on1 ZINC000032905746 570906240 /nfs/dbraw/zinc/90/62/40/570906240.db2.gz DDUFSZLKDNTDHA-UHFFFAOYSA-N -1 3 389.458 3.527 50 0 GHAAHM O=C1NC(=Cc2cc(Br)ccc2[O-])C(=O)N1c1cccc(Cl)c1 ZINC000104911838 570908078 /nfs/dbraw/zinc/90/80/78/570908078.db2.gz AGNFVUROVOJTMF-QPEQYQDCSA-N -1 3 393.624 3.905 50 0 GHAAHM CCOC(=O)c1c(-c2ccccc2)csc1[N-]C(=O)C(=O)NC1CCCC1 ZINC000032938048 570953598 /nfs/dbraw/zinc/95/35/98/570953598.db2.gz QYZSRDHSUMABPY-UHFFFAOYSA-N -1 3 386.473 3.589 50 0 GHAAHM COc1cccc(OC)c1C([O-])=C1CC(=O)Nc2c1c(C)nn2-c1ccccc1 ZINC000046057461 571017706 /nfs/dbraw/zinc/01/77/06/571017706.db2.gz XVSXUGHSIWFYTK-HNNXBMFYSA-N -1 3 391.427 3.507 50 0 GHAAHM CCOC(=O)[C@@]([O-])(c1ccc(N(CC)C(=O)c2ccccc2)cc1)C(F)(F)F ZINC000004016956 862716406 /nfs/dbraw/zinc/71/64/06/862716406.db2.gz OVFRIRSEASSMPP-IBGZPJMESA-N -1 3 395.377 3.666 50 0 GHAAHM Cc1ccc(NC(=O)CSc2nnc([N-]C(=O)c3ccco3)s2)c(C)c1 ZINC000004077964 862759504 /nfs/dbraw/zinc/75/95/04/862759504.db2.gz ORWLSOLKUKSBAU-UHFFFAOYSA-N -1 3 388.474 3.731 50 0 GHAAHM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(C)cc2Cl)c1C(=O)N1CCCC1 ZINC000009684185 857305345 /nfs/dbraw/zinc/30/53/45/857305345.db2.gz SWDJASSMBMWXPI-UHFFFAOYSA-N -1 3 395.912 3.630 50 0 GHAAHM Cc1cccnc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000010430821 857457476 /nfs/dbraw/zinc/45/74/76/857457476.db2.gz UBESSPQQHMTXGH-UHFFFAOYSA-N -1 3 385.420 3.582 50 0 GHAAHM CO[C@@H](C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@H]1CCOC1 ZINC000612755742 859888330 /nfs/dbraw/zinc/88/83/30/859888330.db2.gz MEQQBXBSRYPAJL-KPZWWZAWSA-N -1 3 384.457 3.659 50 0 GHAAHM O=C1[N-]C(=O)/C(=C/c2ccc(-n3ccc(C(F)(F)F)n3)cc2)c2ccccc21 ZINC000084576881 859984524 /nfs/dbraw/zinc/98/45/24/859984524.db2.gz XSIJMKDURXETER-LFIBNONCSA-N -1 3 383.329 3.702 50 0 GHAAHM CO[C@@H]1CCN(c2ccc([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)cc2)C1 ZINC000096381855 914448465 /nfs/dbraw/zinc/44/84/65/914448465.db2.gz JEDBJFSZNCXRSB-MRXNPFEDSA-N -1 3 380.897 3.674 50 0 GHAAHM CCC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(F)cc3C)ccc21 ZINC000017248182 210208556 /nfs/dbraw/zinc/20/85/56/210208556.db2.gz ZODAPYZWYREKGK-UHFFFAOYSA-N -1 3 376.453 3.624 50 0 GHAAHM Cc1ccc(Cc2cnc([N-]C(=O)c3nc4nccc(C)n4n3)s2)cc1Cl ZINC000012775018 210007388 /nfs/dbraw/zinc/00/73/88/210007388.db2.gz WCKPLVXTVQSTSD-UHFFFAOYSA-N -1 3 398.879 3.694 50 0 GHAAHM COc1ccc(C(=O)CSc2n[n-]c(COc3ccc(C)cc3)n2)cc1OC ZINC000002662586 209377236 /nfs/dbraw/zinc/37/72/36/209377236.db2.gz NSWJXXHKANWWCW-UHFFFAOYSA-N -1 3 399.472 3.684 50 0 GHAAHM Cc1nn(-c2ccc(C)cc2)c2ncc(C(=O)Nc3ccccc3F)c([O-])c12 ZINC000010166804 209321515 /nfs/dbraw/zinc/32/15/15/209321515.db2.gz MGAXZDQDMCXYOH-UHFFFAOYSA-N -1 3 376.391 3.722 50 0 GHAAHM O=C(c1cccc(Br)c1)N1NC2=C(CCCC2)[C@]1([O-])C(F)(F)F ZINC000001212540 209314283 /nfs/dbraw/zinc/31/42/83/209314283.db2.gz UIHYJGUXVZAWCI-RISCZKNCSA-N -1 3 391.187 3.702 50 0 GHAAHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000001124822 209303694 /nfs/dbraw/zinc/30/36/94/209303694.db2.gz JFJQPVKBMVTALU-UHFFFAOYSA-N -1 3 396.786 3.687 50 0 GHAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1c(C)[nH]c2ccccc21 ZINC000001070768 209297091 /nfs/dbraw/zinc/29/70/91/209297091.db2.gz PLIBKNLBVUAHAE-UHFFFAOYSA-N -1 3 378.881 3.659 50 0 GHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000000822158 209269606 /nfs/dbraw/zinc/26/96/06/209269606.db2.gz YTQPNKCHMMBKAW-UHFFFAOYSA-N -1 3 383.425 3.715 50 0 GHAAHM Cc1nn(-c2ccccc2)c2ncc(C(=O)N3CCCc4ccccc43)c([O-])c12 ZINC000009316336 209263358 /nfs/dbraw/zinc/26/33/58/209263358.db2.gz LGABJXVGGILDIE-UHFFFAOYSA-N -1 3 384.439 3.615 50 0 GHAAHM O=C1[C@@H]2C(c3ccc(Cl)cc3Cl)=NOC2=C([O-])N1c1ccc(Cl)cc1 ZINC000009066928 209248591 /nfs/dbraw/zinc/24/85/91/209248591.db2.gz KKIHAPRDPGVXAB-UKRRQHHQSA-N -1 3 395.629 3.939 50 0 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0 GHAAHM O=C(Nc1ncccc1[O-])c1ccc(Oc2ccccc2Br)nc1 ZINC000044948812 570984341 /nfs/dbraw/zinc/98/43/41/570984341.db2.gz FOAICCZEYYRXBD-UHFFFAOYSA-N -1 3 386.205 3.989 50 0 GHAAHM Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012751679 571004315 /nfs/dbraw/zinc/00/43/15/571004315.db2.gz IVDCSDAKMREXTQ-QGZVFWFLSA-N -1 3 395.503 3.687 50 0 GHAAHM O=c1[n-]c(-c2cccc(CN3CCc4sccc4C3)c2)nc2c1CCCC2 ZINC000019732060 835839527 /nfs/dbraw/zinc/83/95/27/835839527.db2.gz GMEWAPGMIHVUQH-UHFFFAOYSA-N -1 3 377.513 3.936 50 0 GHAAHM COc1ccccc1C=CC(=O)OCc1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000033793015 854038663 /nfs/dbraw/zinc/03/86/63/854038663.db2.gz KYJXNFCFUDGWLP-KHPPLWFESA-N -1 3 396.468 3.629 50 0 GHAAHM O=c1cc(-c2cccnc2)nc(-c2cccc(CN3CCCC(F)(F)C3)c2)[n-]1 ZINC000048090858 1030990094 /nfs/dbraw/zinc/99/00/94/1030990094.db2.gz ABMOOEARLOOQFX-UHFFFAOYSA-N -1 3 382.414 3.730 50 0 GHAAHM COc1cc2ncnc(Nc3ccc([O-])c(Br)c3)c2cc1OC ZINC000001488362 212248164 /nfs/dbraw/zinc/24/81/64/212248164.db2.gz CBIAKDAYHRWZCU-UHFFFAOYSA-N -1 3 376.210 3.859 50 0 in-vitro GHAAHM Cc1ccccc1OCC(=O)N1NC(C2CCCCC2)=C[C@@]1([O-])C(F)(F)F ZINC000001208986 212229229 /nfs/dbraw/zinc/22/92/29/212229229.db2.gz GNJDPYBSHITDQL-GOSISDBHSA-N -1 3 384.398 3.793 50 0 GHAAHM COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCC2)cc(Cl)c1[O-] ZINC000000715191 212176479 /nfs/dbraw/zinc/17/64/79/212176479.db2.gz MVPSDMGFQISYQW-INIZCTEOSA-N -1 3 394.855 3.558 50 0 GHAAHM O=C1C(=O)N(c2cccnc2)[C@@H](c2ccccc2Cl)C1=C([O-])c1ccccc1 ZINC000245015202 212132992 /nfs/dbraw/zinc/13/29/92/212132992.db2.gz LQLIFPNCYWJSQV-OALUTQOASA-N -1 3 390.826 3.891 50 0 GHAAHM O=S(=O)([N-]CCc1csc(-c2ccc(F)cc2)n1)c1ccc(F)cc1F ZINC000005146245 220834884 /nfs/dbraw/zinc/83/48/84/220834884.db2.gz YMFZPYRKZYXKBE-UHFFFAOYSA-N -1 3 398.431 3.748 50 0 GHAAHM CCc1ccc(N2C[C@@H](c3nnc([N-]C(=O)c4cccs4)s3)CC2=O)cc1 ZINC000009197988 221073392 /nfs/dbraw/zinc/07/33/92/221073392.db2.gz NJIQSVLJXSUPDX-ZDUSSCGKSA-N -1 3 398.513 3.935 50 0 GHAAHM Cc1ccc(N2C[C@H](c3nnc([N-]C(=O)c4cccs4)s3)CC2=O)cc1C ZINC000009199383 221073789 /nfs/dbraw/zinc/07/37/89/221073789.db2.gz DVJQDSQDDDLFCN-CYBMUJFWSA-N -1 3 398.513 3.989 50 0 GHAAHM Cc1cccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000009426963 221081787 /nfs/dbraw/zinc/08/17/87/221081787.db2.gz DPJUMNUJCAHMSU-LLVKDONJSA-N -1 3 387.288 3.607 50 0 GHAAHM O=C(Nc1cccc(C(=O)NC2CC2)c1)c1c[n-]nc1-c1ccc(Cl)cc1 ZINC000009977995 221095747 /nfs/dbraw/zinc/09/57/47/221095747.db2.gz ZMFCVDRYDFAZTL-UHFFFAOYSA-N -1 3 380.835 3.875 50 0 GHAAHM Cc1[nH]c(=S)[n-]c(=O)c1CCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000012792283 221232915 /nfs/dbraw/zinc/23/29/15/221232915.db2.gz NUQJBZSPRDFRDJ-UHFFFAOYSA-N -1 3 386.304 3.639 50 0 GHAAHM O=S(=O)([N-]Cc1ccc(Cn2cccn2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000013017236 221257898 /nfs/dbraw/zinc/25/78/98/221257898.db2.gz GYVRERSXQOBZQL-UHFFFAOYSA-N -1 3 396.299 3.717 50 0 GHAAHM O=C(CSc1n[n-]c([C@@H]2CCCO2)n1)NC(c1ccccc1)c1ccccc1 ZINC000014077124 221298356 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GHAAHM Cn1ccc2c1cccc2NC(=O)COc1cc([O-])c2c(c1)OC(C)(C)CC2=O ZINC000096114060 222381343 /nfs/dbraw/zinc/38/13/43/222381343.db2.gz QDPYMEXURYYRET-UHFFFAOYSA-N -1 3 394.427 3.645 50 0 biogenic GHAAHM O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000002374350 570284609 /nfs/dbraw/zinc/28/46/09/570284609.db2.gz UNGLJJLSNBCKMA-UHFFFAOYSA-N -1 3 395.267 3.749 50 0 GHAAHM O=C([O-])c1ccc(CCN2CCN(C/C=C\c3ccc(Cl)cc3)CC2)cc1 ZINC000022940578 570339187 /nfs/dbraw/zinc/33/91/87/570339187.db2.gz YQIGCNRBMYEJID-UPHRSURJSA-N -1 3 384.907 3.912 50 0 GHAAHM CCCc1cc(=O)[n-]c(-c2ccc(CN3CC[C@H](n4nc(C)cc4C)C3)cc2)n1 ZINC000023231958 570351003 /nfs/dbraw/zinc/35/10/03/570351003.db2.gz FBGDOMRPWQHAHN-NRFANRHFSA-N -1 3 391.519 3.650 50 0 GHAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCOC12CC3CC(CC(C3)C1)C2 ZINC000004577926 570385584 /nfs/dbraw/zinc/38/55/84/570385584.db2.gz BZFMLJKJGXZUSJ-UHFFFAOYSA-N -1 3 399.940 3.612 50 0 GHAAHM O=S(=O)([N-]Cc1ccc([C@@H](O)c2cccs2)s1)c1ccccc1F ZINC000090613667 570387306 /nfs/dbraw/zinc/38/73/06/570387306.db2.gz VLNQIPJEXVZRGJ-INIZCTEOSA-N -1 3 383.491 3.509 50 0 GHAAHM Cc1ccc(OCC(=O)N2NC(CCC(C)C)=C[C@]2([O-])C(F)(F)F)cc1C ZINC000005024524 570399100 /nfs/dbraw/zinc/39/91/00/570399100.db2.gz XZXMRXAUEBOFKL-SFHVURJKSA-N -1 3 386.414 3.958 50 0 GHAAHM Cc1cc([N-]C(=O)[C@H](C)OC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)on1 ZINC000252477763 570474281 /nfs/dbraw/zinc/47/42/81/570474281.db2.gz VFLCYEKUVJUXNH-DRZSPHRISA-N -1 3 382.338 3.676 50 0 GHAAHM O=C(Cn1[n-]c(=O)c2ccccc2c1=O)Nc1ccc(SC2CCCC2)cc1 ZINC000030184159 570486659 /nfs/dbraw/zinc/48/66/59/570486659.db2.gz BQQDTIZVIPORDF-UHFFFAOYSA-N -1 3 395.484 3.776 50 0 GHAAHM [O-][C@@]1(C(F)(F)F)C=CNN1c1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000006829226 570626613 /nfs/dbraw/zinc/62/66/13/570626613.db2.gz QSVAKWNQEWSJPV-LLVKDONJSA-N -1 3 382.289 3.671 50 0 GHAAHM Cc1ccc(NC(=O)Cn2nc3c4cc(F)ccc4[n-]cc-3c2=O)cc1Cl ZINC000101801007 570834870 /nfs/dbraw/zinc/83/48/70/570834870.db2.gz HQNPDFUBVJLFIU-UHFFFAOYSA-N -1 3 384.798 3.569 50 0 GHAAHM Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(C)c(F)c3)c([O-])c12 ZINC000007424077 570839737 /nfs/dbraw/zinc/83/97/37/570839737.db2.gz AFACGIOIRBETFL-UHFFFAOYSA-N -1 3 376.391 3.722 50 0 GHAAHM CS(=O)(=O)[N-]c1ccc(-c2noc(-c3ccc(Br)cc3)n2)cc1 ZINC000033276297 570951489 /nfs/dbraw/zinc/95/14/89/570951489.db2.gz NHRZBHWNRYYVGT-UHFFFAOYSA-N -1 3 394.250 3.538 50 0 GHAAHM CC1(C)C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)CCO1 ZINC000187558898 570970846 /nfs/dbraw/zinc/97/08/46/570970846.db2.gz CAXPOIZKDHXGTD-OAHLLOKOSA-N -1 3 387.929 3.755 50 0 GHAAHM COC(=O)Nc1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000083891464 570976834 /nfs/dbraw/zinc/97/68/34/570976834.db2.gz WWDGWPVOYCPMPO-UHFFFAOYSA-N -1 3 395.289 3.712 50 0 GHAAHM Cc1ccccc1[C@@H]1CN(Cc2cncn2Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000091288856 571002121 /nfs/dbraw/zinc/00/21/21/571002121.db2.gz FRPSNSJHOIDEMU-FCHUYYIVSA-N -1 3 375.472 3.540 50 0 GHAAHM COc1ccc(-c2cccc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)c2)nn1 ZINC000005204168 835110049 /nfs/dbraw/zinc/11/00/49/835110049.db2.gz VGIBZYWTCLMCCB-UHFFFAOYSA-N -1 3 383.473 3.878 50 0 GHAAHM Cc1cccc([C@@H]2CC(c3ccccc3[N-]S(C)(=O)=O)=NN2C(=O)C(C)C)c1 ZINC000079112500 849313642 /nfs/dbraw/zinc/31/36/42/849313642.db2.gz WCIIJXYXNZPNOM-FQEVSTJZSA-N -1 3 399.516 3.700 50 0 GHAAHM O=c1[n-]nc(SCCCSc2ccccc2Cl)n1C[C@H]1CCCO1 ZINC000057745296 862232403 /nfs/dbraw/zinc/23/24/03/862232403.db2.gz OOYCGNVUHYSXPN-GFCCVEGCSA-N -1 3 385.942 3.678 50 0 GHAAHM CCOc1ccccc1N=c1scc(-c2ccc([O-])c(C(N)=O)c2)n1C1CC1 ZINC000254312735 851422467 /nfs/dbraw/zinc/42/24/67/851422467.db2.gz QEKLTBIDYWBTJV-UHFFFAOYSA-N -1 3 395.484 3.987 50 0 GHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC(C)CC3)c2)cc1 ZINC000003228015 862265547 /nfs/dbraw/zinc/26/55/47/862265547.db2.gz XCAHDJSKGNHXGF-UHFFFAOYSA-N -1 3 386.517 3.976 50 0 GHAAHM Cc1ccccc1[C@H]1CC(c2ccccc2[N-]S(C)(=O)=O)=NN1C(=O)C(C)C ZINC000009378582 857171306 /nfs/dbraw/zinc/17/13/06/857171306.db2.gz GRSBYRMABYQYNV-HXUWFJFHSA-N -1 3 399.516 3.700 50 0 GHAAHM O=C(Nc1cc(Cl)ccc1[O-])c1cccn2c(Cc3ccccc3)nnc12 ZINC000021723624 860924617 /nfs/dbraw/zinc/92/46/17/860924617.db2.gz IDBMFYQJJHRITM-UHFFFAOYSA-N -1 3 378.819 3.931 50 0 GHAAHM Cc1c(N=Cc2cc(Br)ccc2[O-])c(=O)n(-c2ccccc2)n1C ZINC000254451164 916723296 /nfs/dbraw/zinc/72/32/96/916723296.db2.gz JEFLLTPGLKKXAE-UHFFFAOYSA-N -1 3 386.249 3.703 50 0 GHAAHM COc1ccc(CC(=O)N2NC(C3CCCCC3)=C[C@]2([O-])C(F)(F)F)cc1 ZINC000001101549 212216652 /nfs/dbraw/zinc/21/66/52/212216652.db2.gz GKQXIYCJHUCVMP-SFHVURJKSA-N -1 3 384.398 3.657 50 0 GHAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1 ZINC000000779440 212180771 /nfs/dbraw/zinc/18/07/71/212180771.db2.gz PXGVHUPNCGEPER-UHFFFAOYSA-N -1 3 388.470 3.810 50 0 GHAAHM COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]Cc1ccc(C)cc1 ZINC000263618967 212142582 /nfs/dbraw/zinc/14/25/82/212142582.db2.gz WHJMAHWFGYSXGQ-UHFFFAOYSA-N -1 3 393.461 3.614 50 0 GHAAHM CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1nc2ccsc2c(=O)[n-]1 ZINC000007986657 221020754 /nfs/dbraw/zinc/02/07/54/221020754.db2.gz BGEGFGQSZJXDPA-UHFFFAOYSA-N -1 3 378.837 3.539 50 0 GHAAHM Cc1ccc(-c2cc([N-]C(=O)CNc3ccccc3N3CCCC3=O)on2)cc1 ZINC000009338610 221078536 /nfs/dbraw/zinc/07/85/36/221078536.db2.gz SAGWTKBJPPYJKY-UHFFFAOYSA-N -1 3 390.443 3.827 50 0 GHAAHM CCC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc4n[n-]nc4c3)n2)cc1 ZINC000010556208 221105313 /nfs/dbraw/zinc/10/53/13/221105313.db2.gz BJKABDMZIGVBSU-UHFFFAOYSA-N -1 3 392.444 3.682 50 0 GHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@@H](C)C3)c2)cc1 ZINC000012605248 221214362 /nfs/dbraw/zinc/21/43/62/221214362.db2.gz CSMILRMZRLYDKN-MRXNPFEDSA-N -1 3 386.517 3.976 50 0 GHAAHM C=C1C(=Nc2ccc(Br)cn2)[N-]S(=O)(=O)C1c1ccc(F)cc1 ZINC000015730261 221342458 /nfs/dbraw/zinc/34/24/58/221342458.db2.gz JZTUCSHWUJMSBP-UHFFFAOYSA-N -1 3 396.241 3.568 50 0 GHAAHM [O-]c1ccc(Br)cc1C1N=NC(=S)N1Cc1ccc(F)cc1 ZINC000017077677 221377775 /nfs/dbraw/zinc/37/77/75/221377775.db2.gz OWUMAKYVXJFZEO-UHFFFAOYSA-N -1 3 380.242 3.889 50 0 GHAAHM COc1cc(CN2CCN(c3ccccc3F)CC2)cc(Br)c1[O-] ZINC000055543741 136177591 /nfs/dbraw/zinc/17/75/91/136177591.db2.gz RKCNXUCGNYVFBD-UHFFFAOYSA-N -1 3 395.272 3.625 50 0 GHAAHM Cc1c([O-])ccc2c(CSc3nnc(N4CCCC4)s3)cc(=O)oc12 ZINC000052911938 222008144 /nfs/dbraw/zinc/00/81/44/222008144.db2.gz QNIYHFFZTQUMRR-UHFFFAOYSA-N -1 3 375.475 3.551 50 0 GHAAHM O=c1[n-]nc(SCc2sc3ccccc3c2Cl)n1C[C@H]1CCCO1 ZINC000058377000 222051271 /nfs/dbraw/zinc/05/12/71/222051271.db2.gz ILPZGLOIUJKZHU-SNVBAGLBSA-N -1 3 381.910 3.911 50 0 GHAAHM O=C([O-])[C@H]1C[C@H](C(=O)Nc2ccc(F)cc2)CN(C/C=C/c2ccccc2)C1 ZINC000071746179 222187620 /nfs/dbraw/zinc/18/76/20/222187620.db2.gz DTMXOGLYAGXJJV-LETPOXDLSA-N -1 3 382.435 3.500 50 0 GHAAHM O=S(=O)([N-][C@@H]1CCCN(C2CCCCCC2)C1)c1cc2ccccc2o1 ZINC000072154445 222212130 /nfs/dbraw/zinc/21/21/30/222212130.db2.gz GTIKHBJUYDSQTI-QGZVFWFLSA-N -1 3 376.522 3.898 50 0 GHAAHM O=S(=O)([N-]Cc1cccs1)c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1 ZINC000085664754 222325122 /nfs/dbraw/zinc/32/51/22/222325122.db2.gz BKPQIKIBVFCXCD-UHFFFAOYSA-N -1 3 393.437 3.697 50 0 GHAAHM Cc1nc(CCNC(=O)C[C@H](c2ccccc2)c2ccc(Cl)cc2)cc(=O)[n-]1 ZINC000095530021 222352951 /nfs/dbraw/zinc/35/29/51/222352951.db2.gz GWIKHRBUZONJHK-HXUWFJFHSA-N -1 3 395.890 3.613 50 0 GHAAHM Cc1cc(-c2csc([N-]C(=O)c3ccc(S(C)(=O)=O)o3)n2)c(F)cc1F ZINC000095963646 222365589 /nfs/dbraw/zinc/36/55/89/222365589.db2.gz MZUCWKJQKIHOAS-UHFFFAOYSA-N -1 3 398.412 3.646 50 0 GHAAHM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2cnn(C(C)C)c2)S1 ZINC000096116652 222383176 /nfs/dbraw/zinc/38/31/76/222383176.db2.gz IDGNWFWFGBWZNU-GOEBONIOSA-N -1 3 389.525 3.970 50 0 GHAAHM O[C@@H](CSc1nnc([N-]c2ccccc2F)s1)c1ccc2c(c1)OCO2 ZINC000048345282 570240598 /nfs/dbraw/zinc/24/05/98/570240598.db2.gz LIEHCYVTFQOZEG-ZDUSSCGKSA-N -1 3 391.449 3.975 50 0 GHAAHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(CN(CC)CC)o3)c2)n1 ZINC000049305040 570263248 /nfs/dbraw/zinc/26/32/48/570263248.db2.gz WMOHLNHKQLVOKM-UHFFFAOYSA-N -1 3 394.475 3.686 50 0 GHAAHM O=C([O-])[C@@H](c1c[nH]c2ccccc21)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000020676407 570275250 /nfs/dbraw/zinc/27/52/50/570275250.db2.gz SGWIFXILOMTSIZ-HXUWFJFHSA-N -1 3 383.879 3.765 50 0 GHAAHM COc1cc(OC)c(-n2cc(-c3cc4ccccc4oc3=O)[n-]c2=O)cc1Cl ZINC000006169941 570279856 /nfs/dbraw/zinc/27/98/56/570279856.db2.gz FBUMDYPFYOGNNT-UHFFFAOYSA-N -1 3 398.802 3.610 50 0 GHAAHM O=c1[n-]nc(SCc2ncc(-c3ccccc3)o2)n1CCc1ccccc1 ZINC000024276280 570381362 /nfs/dbraw/zinc/38/13/62/570381362.db2.gz BZVVRGMLLWMGFX-UHFFFAOYSA-N -1 3 378.457 3.761 50 0 GHAAHM CCOC(=O)[C@]([N-]c1cc(F)ccc1C)(NC(=O)c1ccccc1)C(F)(F)F ZINC000006350261 570396104 /nfs/dbraw/zinc/39/61/04/570396104.db2.gz IUDXUXUEUNJGNE-SFHVURJKSA-N -1 3 398.356 3.798 50 0 GHAAHM COC(=O)c1c([N-]C(=O)c2cc(C)on2)sc2c1-c1ccc(OC)cc1CC2 ZINC000004749537 570402379 /nfs/dbraw/zinc/40/23/79/570402379.db2.gz XLDWOEAHNGQVIK-UHFFFAOYSA-N -1 3 398.440 3.858 50 0 GHAAHM C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)o1 ZINC000025670420 570417830 /nfs/dbraw/zinc/41/78/30/570417830.db2.gz QHWVXWXKNFIZOJ-MKOLQDEYSA-N -1 3 378.425 3.566 50 0 GHAAHM [O-][C@@]1(C(F)(F)F)C2=C(NN1c1nc3ccccc3s1)c1ccccc1OC2 ZINC000005275049 570548040 /nfs/dbraw/zinc/54/80/40/570548040.db2.gz SJANWJHLGDYGHJ-APPDUMDISA-N -1 3 391.374 3.780 50 0 GHAAHM CCOc1cc(CNCc2c3ccc(OC)cc3n(C)c2C(=O)[O-])ccc1OC ZINC000006795061 570598540 /nfs/dbraw/zinc/59/85/40/570598540.db2.gz QIZAUFBXVZFGIA-UHFFFAOYSA-N -1 3 398.459 3.582 50 0 GHAAHM O=S(=O)([N-]CCc1csc(-c2cccs2)n1)c1ccc(F)cc1F ZINC000005451015 570599131 /nfs/dbraw/zinc/59/91/31/570599131.db2.gz MFDDVWORQRFWTG-UHFFFAOYSA-N -1 3 386.470 3.671 50 0 GHAAHM O=C(COC(=O)c1ccccc1Oc1ccccc1)[N-]C(=O)c1cccs1 ZINC000007129091 570800228 /nfs/dbraw/zinc/80/02/28/570800228.db2.gz PUZSMHVIBWVTGF-UHFFFAOYSA-N -1 3 381.409 3.654 50 0 GHAAHM Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000032843025 570851403 /nfs/dbraw/zinc/85/14/03/570851403.db2.gz YDOBUFOJNXRVFR-UHFFFAOYSA-N -1 3 388.456 3.502 50 0 GHAAHM Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000032843025 570851406 /nfs/dbraw/zinc/85/14/06/570851406.db2.gz YDOBUFOJNXRVFR-UHFFFAOYSA-N -1 3 388.456 3.502 50 0 GHAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1F)ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000102722971 570858529 /nfs/dbraw/zinc/85/85/29/570858529.db2.gz IMEVDSRFMICGCF-PCCBWWKXSA-N -1 3 388.398 3.877 50 0 GHAAHM CC(C)(C)c1nnc([N-]C(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)s1 ZINC000102997513 570873103 /nfs/dbraw/zinc/87/31/03/570873103.db2.gz FFEWKKTWQVCBFP-UHFFFAOYSA-N -1 3 388.474 3.940 50 0 GHAAHM CCS(=O)(=O)[N-]c1ccc(-c2noc(-c3ccc(Cl)cc3OC)n2)cc1 ZINC000033276373 570951641 /nfs/dbraw/zinc/95/16/41/570951641.db2.gz VPNSYNKSJLVNNP-UHFFFAOYSA-N -1 3 393.852 3.827 50 0 GHAAHM Cc1cc(Br)c([O-])c(C(=O)NC[C@H](c2cccs2)N(C)C)c1 ZINC000084074626 570995126 /nfs/dbraw/zinc/99/51/26/570995126.db2.gz PJUKKWGFOWZLAF-CYBMUJFWSA-N -1 3 383.311 3.557 50 0 GHAAHM CC[C@H]1CCCN1C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O ZINC000091440954 571008243 /nfs/dbraw/zinc/00/82/43/571008243.db2.gz SSAOCQYRGBAPKR-NSHDSACASA-N -1 3 380.275 3.682 50 0 GHAAHM CCn1c2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)cc2sc1=O ZINC000046017689 571011872 /nfs/dbraw/zinc/01/18/72/571011872.db2.gz YYWCIKWBMYMVQE-UHFFFAOYSA-N -1 3 376.503 3.809 50 0 GHAAHM O=C([O-])[C@@H]1CN(Cc2cc3c(cc2Cl)OCO3)C[C@H]1c1cccc(F)c1 ZINC000091997832 571039828 /nfs/dbraw/zinc/03/98/28/571039828.db2.gz MIVAWHOZPOHQSQ-LSDHHAIUSA-N -1 3 377.799 3.508 50 0 GHAAHM CCOC(=O)[C@]([N-]c1cccc(Cl)c1)(NC(=O)[C@@H](C)CC)C(F)(F)F ZINC000002311848 871948268 /nfs/dbraw/zinc/94/82/68/871948268.db2.gz CUKRKFBZOHBYGL-BONVTDFDSA-N -1 3 380.794 3.736 50 0 GHAAHM COc1cc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCCCC2)ccc1O ZINC000095474568 913491917 /nfs/dbraw/zinc/49/19/17/913491917.db2.gz XIGQCFRZEZRGGX-QGZVFWFLSA-N -1 3 389.477 3.820 50 0 GHAAHM CCCCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000002058356 291131570 /nfs/dbraw/zinc/13/15/70/291131570.db2.gz HYLVOBYVKYVWPH-MRXNPFEDSA-N -1 3 396.871 3.758 50 0 biogenic,in-vitro GHAAHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CC(c2cccc(Br)c2)=NO1 ZINC000001126261 212220576 /nfs/dbraw/zinc/22/05/76/212220576.db2.gz SYHWGTLLIIWVFX-OAHLLOKOSA-N -1 3 395.640 3.940 50 0 GHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1C ZINC000001109491 212217283 /nfs/dbraw/zinc/21/72/83/212217283.db2.gz CBFBELOLQUJTCJ-UHFFFAOYSA-N -1 3 387.242 3.709 50 0 GHAAHM COc1ccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1OC ZINC000001044222 212209383 /nfs/dbraw/zinc/20/93/83/212209383.db2.gz ANHHRSFERNIBJS-UHFFFAOYSA-N -1 3 390.288 3.532 50 0 GHAAHM O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000000692969 212175554 /nfs/dbraw/zinc/17/55/54/212175554.db2.gz XGRPZGCMWRUVHP-UHFFFAOYSA-N -1 3 395.267 3.749 50 0 GHAAHM C[C@@H]1CN(CCOc2ccc(-c3n[nH]cc3-c3ccccc3)c([O-])c2)C[C@H](C)O1 ZINC000017058307 212150395 /nfs/dbraw/zinc/15/03/95/212150395.db2.gz CTPRCYPDKCSGRM-CALCHBBNSA-N -1 3 393.487 3.937 50 0 GHAAHM CC(C)(C)c1cc([N-]C(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)on1 ZINC000007737151 221009479 /nfs/dbraw/zinc/00/94/79/221009479.db2.gz SDPLOWSRSADSJN-UHFFFAOYSA-N -1 3 388.427 3.924 50 0 GHAAHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccsc1 ZINC000008896071 221062902 /nfs/dbraw/zinc/06/29/02/221062902.db2.gz KEICJNYFDQRTPA-ZDUSSCGKSA-N -1 3 379.334 3.636 50 0 GHAAHM O=S(=O)([N-]Cc1ccccc1Cn1cccn1)c1cccc(Cl)c1Cl ZINC000010959079 221109429 /nfs/dbraw/zinc/10/94/29/221109429.db2.gz XGYAVXVGZNFNGR-UHFFFAOYSA-N -1 3 396.299 3.717 50 0 GHAAHM COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)[n-]1 ZINC000009669241 221088925 /nfs/dbraw/zinc/08/89/25/221088925.db2.gz SLZDURKAOBOSIV-SNVBAGLBSA-N -1 3 389.864 3.704 50 0 GHAAHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1cccs1 ZINC000012740462 221222308 /nfs/dbraw/zinc/22/23/08/221222308.db2.gz JVLSITVVJPUAMH-LLVKDONJSA-N -1 3 394.301 3.638 50 0 GHAAHM Cc1nc(C)c(CCC(=O)Nc2nc(-c3ccccc3Cl)cs2)c(=O)[n-]1 ZINC000012761864 221228042 /nfs/dbraw/zinc/22/80/42/221228042.db2.gz PNZICSFSEKQOEJ-UHFFFAOYSA-N -1 3 388.880 3.735 50 0 GHAAHM Cc1nc(-c2ccccc2)[n-]c(=O)c1CCC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000012912890 221244817 /nfs/dbraw/zinc/24/48/17/221244817.db2.gz FLZQRKHOJRTIBK-JOCHJYFZSA-N -1 3 387.483 3.945 50 0 GHAAHM O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000014168376 221300941 /nfs/dbraw/zinc/30/09/41/221300941.db2.gz YTXQKNIFUBUXRZ-UHFFFAOYSA-N -1 3 383.455 3.819 50 0 GHAAHM O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000014168376 221300945 /nfs/dbraw/zinc/30/09/45/221300945.db2.gz YTXQKNIFUBUXRZ-UHFFFAOYSA-N -1 3 383.455 3.819 50 0 GHAAHM Cc1cc(NC(=O)[C@@H](OC(=O)c2ccc(Cl)cc2[O-])c2ccccc2)no1 ZINC000016814774 221372138 /nfs/dbraw/zinc/37/21/38/221372138.db2.gz MMBHPBXIIPPSKR-KRWDZBQOSA-N -1 3 386.791 3.879 50 0 GHAAHM CC(=O)N1CC(C)(C)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)ccc21 ZINC000065020913 222094653 /nfs/dbraw/zinc/09/46/53/222094653.db2.gz DKHSTOZGUBXHHL-UHFFFAOYSA-N -1 3 396.871 3.924 50 0 GHAAHM O=C1[N-]C(=O)C(=CNc2ccc(OC(F)F)c3ncccc23)c2ccccc21 ZINC000060436634 222059322 /nfs/dbraw/zinc/05/93/22/222059322.db2.gz MCPRKWCULTVQQE-GXDHUFHOSA-N -1 3 381.338 3.559 50 0 GHAAHM O=C(CCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1)Nc1ccccc1[O-] ZINC000061720600 222063186 /nfs/dbraw/zinc/06/31/86/222063186.db2.gz NPTHMEWTFXFWMY-QFIPXVFZSA-N -1 3 387.439 3.988 50 0 GHAAHM CCOC(=O)N1CCC2(CC1)N=C(c1ccccc1[O-])C[C@H](c1ccccc1)N2 ZINC000065298505 222121984 /nfs/dbraw/zinc/12/19/84/222121984.db2.gz VCODDYPNMSQXAW-LJQANCHMSA-N -1 3 393.487 3.865 50 0 biogenic GHAAHM CSc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCN(C)CC3)cc2)cc1 ZINC000072139303 222210897 /nfs/dbraw/zinc/21/08/97/222210897.db2.gz KGHGUAWGBNLRJP-UHFFFAOYSA-N -1 3 392.546 3.682 50 0 GHAAHM Cc1nn(C)c(C)c1[C@H]1SCC(=O)Nc2c1c(=O)[n-]n2C1CCCCC1 ZINC000079480475 222305863 /nfs/dbraw/zinc/30/58/63/222305863.db2.gz LDTDWNMMCIWODX-MRXNPFEDSA-N -1 3 375.498 3.868 50 0 GHAAHM CCNC(=O)c1cc([N-]C(=O)c2c(F)c(F)cc(F)c2F)nc2ccccc21 ZINC000095979653 222367518 /nfs/dbraw/zinc/36/75/18/222367518.db2.gz GBWYDFADTMURKP-UHFFFAOYSA-N -1 3 391.324 3.793 50 0 GHAAHM O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000002868320 570313215 /nfs/dbraw/zinc/31/32/15/570313215.db2.gz GMDUVTTVOMWQOH-UHFFFAOYSA-N -1 3 393.226 3.675 50 0 GHAAHM CCOC(=O)[C@]([O-])(c1ccc(N(C)C(=O)c2ccc(C)cc2)cc1)C(F)(F)F ZINC000003099831 570328399 /nfs/dbraw/zinc/32/83/99/570328399.db2.gz QUZUGXNEYKKTLP-LJQANCHMSA-N -1 3 395.377 3.585 50 0 GHAAHM COc1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)Cc1csc2ccccc12 ZINC000575621772 570370572 /nfs/dbraw/zinc/37/05/72/570370572.db2.gz UDKWSVLSUIVXLA-LBPRGKRZSA-N -1 3 379.478 3.959 50 0 GHAAHM Cc1ccc(OCC(=O)N2NC3=C(CCCCC3)[C@@]2([O-])C(F)(F)F)cc1C ZINC000005024389 570399082 /nfs/dbraw/zinc/39/90/82/570399082.db2.gz AXQKTTYQSLEIPV-CRAIPNDOSA-N -1 3 384.398 3.712 50 0 GHAAHM O=C(CSCc1ccc(Cl)c(Cl)c1)[N-]N1C(=O)c2ccccc2C1=O ZINC000004826033 570409158 /nfs/dbraw/zinc/40/91/58/570409158.db2.gz LHTCHKSNIWRROW-UHFFFAOYSA-N -1 3 395.267 3.554 50 0 GHAAHM Cc1cc(N2CCN(C)CC2)ccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000025784927 570419838 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Cc1ccc(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)cc1 ZINC000017050982 221376031 /nfs/dbraw/zinc/37/60/31/221376031.db2.gz GUTXVQSQMGARCR-UHFFFAOYSA-N -1 3 397.504 3.704 50 0 GHAAHM CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000021890211 136203346 /nfs/dbraw/zinc/20/33/46/136203346.db2.gz OVXZCLXJOLEVDE-UHFFFAOYSA-N -1 3 387.549 3.753 50 0 GHAAHM CCCn1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC)c2ccccc21 ZINC000065219772 222111905 /nfs/dbraw/zinc/11/19/05/222111905.db2.gz BKXSWOPGYXRKLF-UHFFFAOYSA-N -1 3 393.896 3.587 50 0 GHAAHM O=C([O-])c1cc(CN2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)ccc1O ZINC000065452571 222130370 /nfs/dbraw/zinc/13/03/70/222130370.db2.gz TUQQNLDTCRVTBU-SIKLNZKXSA-N -1 3 377.440 3.594 50 0 GHAAHM Cc1ncc(C(=O)N2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)c(=O)[n-]1 ZINC000071736466 222187742 /nfs/dbraw/zinc/18/77/42/222187742.db2.gz QYBLYVRMGMSUIJ-AWEZNQCLSA-N -1 3 393.409 3.582 50 0 GHAAHM O=C(CCCCc1ccccc1)N1CCc2c(=O)[n-]c(-c3ccccc3)nc2C1 ZINC000072128973 222209306 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O=C(CSCc1ccc(Cl)cc1Cl)[N-]N1C(=O)c2ccccc2C1=O ZINC000004547337 570728553 /nfs/dbraw/zinc/72/85/53/570728553.db2.gz GRFKUSFJIQFSCQ-UHFFFAOYSA-N -1 3 395.267 3.554 50 0 GHAAHM O=C1[C@@H]2C(c3ccc(Cl)cc3Cl)=NOC2=C([O-])N1c1ccc(Cl)cc1 ZINC000101043386 570787345 /nfs/dbraw/zinc/78/73/45/570787345.db2.gz KKIHAPRDPGVXAB-HIFRSBDPSA-N -1 3 395.629 3.939 50 0 GHAAHM COc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc([O-])cc2)cc1 ZINC000261493441 570790002 /nfs/dbraw/zinc/79/00/02/570790002.db2.gz BCLFXRUYHPYQBZ-UHFFFAOYSA-N -1 3 383.469 3.792 50 0 GHAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1F)ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000102722976 570858725 /nfs/dbraw/zinc/85/87/25/570858725.db2.gz IMEVDSRFMICGCF-QHAWAJNXSA-N -1 3 388.398 3.877 50 0 GHAAHM C[C@H]1CCCN(Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)[O-])C1 ZINC000299769444 570893942 /nfs/dbraw/zinc/89/39/42/570893942.db2.gz XLZVSZKQBRVWPR-HNNXBMFYSA-N -1 3 383.444 3.778 50 0 GHAAHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3csc(-c4ccco4)n3)c2)n1 ZINC000047317283 570953425 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393.462 3.764 50 0 GHAAHM COc1cc([C@H]2CC(=O)Nc3nc(C)[n-]c(=O)c32)ccc1OCc1ccccc1 ZINC000008995261 856694741 /nfs/dbraw/zinc/69/47/41/856694741.db2.gz GKWGHFHNQWRBFD-MRXNPFEDSA-N -1 3 391.427 3.790 50 0 GHAAHM COC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)Nc4c3c(=O)[n-]n4C(C)C)o2)cc1 ZINC000071282535 857378109 /nfs/dbraw/zinc/37/81/09/857378109.db2.gz PYPLNKWERFIPQD-AWEZNQCLSA-N -1 3 395.415 3.928 50 0 GHAAHM CSc1cccc(-n2nnc(-c3nsc([N-]C(=O)c4ccco4)n3)c2C)c1 ZINC000020848822 860655848 /nfs/dbraw/zinc/65/58/48/860655848.db2.gz QVRJCWSZSKGJOL-UHFFFAOYSA-N -1 3 398.473 3.661 50 0 GHAAHM CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2ccsc2)CCO1 ZINC000096117447 860786798 /nfs/dbraw/zinc/78/67/98/860786798.db2.gz HFAKBNTYHVAVGT-RISCZKNCSA-N -1 3 379.507 3.555 50 0 GHAAHM COC(=O)c1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCCC2)cc1 ZINC000095474704 913492554 /nfs/dbraw/zinc/49/25/54/913492554.db2.gz PTSCNVAWVNENIZ-INIZCTEOSA-N -1 3 387.461 3.502 50 0 GHAAHM O=C1C[C@H](c2c(F)cccc2Cl)c2c(=O)[n-]c(N3CCCCCC3)nc2N1 ZINC000828323395 907659136 /nfs/dbraw/zinc/65/91/36/907659136.db2.gz UBQOYNLEMBPMQN-LLVKDONJSA-N -1 3 390.846 3.829 50 0 GHAAHM CCOC(=O)[C@@]([N-]c1cccc(Cl)c1)(NC(=O)CC(C)C)C(F)(F)F ZINC000002271388 220517201 /nfs/dbraw/zinc/51/72/01/220517201.db2.gz FTEJCJUTRCKEBT-OAHLLOKOSA-N -1 3 380.794 3.736 50 0 GHAAHM CCC(CC)NC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C)C ZINC000007779372 221011335 /nfs/dbraw/zinc/01/13/35/221011335.db2.gz BERFLAFMYPCTQR-OAHLLOKOSA-N -1 3 395.352 3.601 50 0 GHAAHM CC(C)N(C(=O)CSc1n[n-]c(COc2ccc(Cl)cc2)n1)C(C)C ZINC000009051835 221069309 /nfs/dbraw/zinc/06/93/09/221069309.db2.gz YSHSFUIYZJBFAL-UHFFFAOYSA-N -1 3 382.917 3.775 50 0 GHAAHM O=S(=O)([N-]Cc1ccccc1Cn1cccn1)c1ccc(Cl)c(Cl)c1 ZINC000010959006 221109218 /nfs/dbraw/zinc/10/92/18/221109218.db2.gz CKEIOPPBGJZJOP-UHFFFAOYSA-N -1 3 396.299 3.717 50 0 GHAAHM CCc1nnc(SCC(=O)Nc2cc(Cl)ccc2[O-])n1-c1ccccc1 ZINC000009615087 221087812 /nfs/dbraw/zinc/08/78/12/221087812.db2.gz FGNGTGRBRMDKBX-UHFFFAOYSA-N -1 3 388.880 3.920 50 0 GHAAHM CCc1ccccc1-n1nnc(-c2nsc([N-]C(=O)c3cccs3)n2)c1C ZINC000009638568 221088077 /nfs/dbraw/zinc/08/80/77/221088077.db2.gz ODZUHQXYIIBTGR-UHFFFAOYSA-N -1 3 396.501 3.970 50 0 GHAAHM Cc1oc(-c2cc(C)ccc2C)nc1CSc1nc2c(nc[n-]c2=O)n1C ZINC000012447381 221196559 /nfs/dbraw/zinc/19/65/59/221196559.db2.gz OGNQOWNBNTWYJN-UHFFFAOYSA-N -1 3 381.461 3.529 50 0 biogenic,in-vitro GHAAHM COc1cc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc(Cl)c1[O-] ZINC000012556285 221206785 /nfs/dbraw/zinc/20/67/85/221206785.db2.gz XYFWAKQHGMSDFA-YJYMSZOUSA-N -1 3 388.851 3.800 50 0 GHAAHM Cc1cccc(N(CC(=O)Nc2c(C)cc(C)cc2C)c2nc([O-])cs2)c1 ZINC000012609746 221214324 /nfs/dbraw/zinc/21/43/24/221214324.db2.gz BXIGDRGKMVVNPI-UHFFFAOYSA-N -1 3 381.501 3.995 50 0 GHAAHM Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3F)c2)cn1 ZINC000012822637 221237450 /nfs/dbraw/zinc/23/74/50/221237450.db2.gz CPASLBHZSKFESZ-UHFFFAOYSA-N -1 3 399.447 3.891 50 0 GHAAHM CCOC(=O)c1sc2[n-]c(CSc3nc(C)cs3)nc(=O)c2c1C ZINC000013135280 221261832 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/nfs/dbraw/zinc/45/19/33/570451933.db2.gz ZFZQFZPWPCIMEA-UHFFFAOYSA-N -1 3 387.412 3.872 50 0 GHAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccccc1F ZINC000006576838 570480923 /nfs/dbraw/zinc/48/09/23/570480923.db2.gz IIZSBLCPCQBVMB-QHAWAJNXSA-N -1 3 388.398 3.877 50 0 GHAAHM COc1ccc([C@H]2CC(=O)c3c[n-]c4nn(-c5ccccc5)c(=O)c-4c3C2)cc1 ZINC000005428909 570591798 /nfs/dbraw/zinc/59/17/98/570591798.db2.gz WJWAXRYRACPLIH-OAHLLOKOSA-N -1 3 385.423 3.635 50 0 GHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)c(C)c1 ZINC000006866551 570655777 /nfs/dbraw/zinc/65/57/77/570655777.db2.gz OOASXLPGNXAIME-OAHLLOKOSA-N -1 3 384.501 3.792 50 0 GHAAHM COc1cccc(-c2nsc([N-]C(=O)c3cccnc3C(F)(F)F)n2)c1 ZINC000179920007 570670378 /nfs/dbraw/zinc/67/03/78/570670378.db2.gz CEYMVHFCSHVZNN-UHFFFAOYSA-N -1 3 380.351 3.880 50 0 GHAAHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CCCCC1 ZINC000006703190 570749241 /nfs/dbraw/zinc/74/92/41/570749241.db2.gz XPWUNVLAYXSKKI-UHFFFAOYSA-N -1 3 377.441 3.644 50 0 GHAAHM O=C1[C@@H]2C(c3ccccc3Cl)=NOC2=C([O-])N1c1ccc(Cl)cc1Cl ZINC000101359495 570820051 /nfs/dbraw/zinc/82/00/51/570820051.db2.gz WSMQNLKUIRGZOC-UKRRQHHQSA-N -1 3 395.629 3.939 50 0 GHAAHM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c1 ZINC000032803712 570822258 /nfs/dbraw/zinc/82/22/58/570822258.db2.gz FRWZYJOBNVEGID-UHFFFAOYSA-N -1 3 386.860 3.907 50 0 GHAAHM Cc1ccc(-c2csc3[n-]c(CSc4nnc(N)s4)nc(=O)c23)s1 ZINC000007286721 570825418 /nfs/dbraw/zinc/82/54/18/570825418.db2.gz BRFOMUQBKXFKBX-UHFFFAOYSA-N -1 3 393.544 3.748 50 0 GHAAHM Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000032841608 570849980 /nfs/dbraw/zinc/84/99/80/570849980.db2.gz IQGNFJKYWLGIIS-UHFFFAOYSA-N -1 3 383.536 3.593 50 0 GHAAHM COc1ccccc1-n1cc(C(=O)Nc2ccccc2[O-])c2ccccc2c1=O ZINC000071287792 570888922 /nfs/dbraw/zinc/88/89/22/570888922.db2.gz BUXRMWLKZBJLSJ-UHFFFAOYSA-N -1 3 386.407 3.957 50 0 GHAAHM Cc1c([O-])ccc2c(COC(=O)c3ccc(C(F)(F)F)cn3)cc(=O)oc12 ZINC000032903518 570900364 /nfs/dbraw/zinc/90/03/64/570900364.db2.gz QLWWDPAWXHVBRA-UHFFFAOYSA-N -1 3 379.290 3.578 50 0 GHAAHM O=S(=O)([N-]Cc1nc2cccnc2n1C1CCCC1)c1ccc(Cl)s1 ZINC000047147048 570943570 /nfs/dbraw/zinc/94/35/70/570943570.db2.gz PJQZUGDATKNYDO-UHFFFAOYSA-N -1 3 396.925 3.740 50 0 GHAAHM Cc1nn(C[C@H](C)C(=O)Nc2cc(Cl)ccc2[O-])c(C)c1Br ZINC000028236109 861304935 /nfs/dbraw/zinc/30/49/35/861304935.db2.gz HVUNRZMRSMEACL-QMMMGPOBSA-N -1 3 386.677 3.896 50 0 GHAAHM CO[C@H](C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@H]1CCOC1 ZINC000612755744 859888756 /nfs/dbraw/zinc/88/87/56/859888756.db2.gz MEQQBXBSRYPAJL-SGTLLEGYSA-N -1 3 384.457 3.659 50 0 GHAAHM CN(Cc1nccs1)Cc1ccc(-c2nc(-c3cccnc3)cc(=O)[n-]2)cc1 ZINC000020821587 860650071 /nfs/dbraw/zinc/65/00/71/860650071.db2.gz GGKUFXXKHSYRRO-UHFFFAOYSA-N -1 3 389.484 3.587 50 0 GHAAHM CCOC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1 ZINC000001119424 212218516 /nfs/dbraw/zinc/21/85/16/212218516.db2.gz LWEMGBKEVDOWQQ-UHFFFAOYSA-N -1 3 377.462 3.553 50 0 GHAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1c(C)[nH]c2ccc(C)cc21 ZINC000001072108 212214466 /nfs/dbraw/zinc/21/44/66/212214466.db2.gz BFTMVRKKIJSQEG-UHFFFAOYSA-N -1 3 392.908 3.968 50 0 GHAAHM CCN(CCO)C(=O)C[C@H](c1ccccc1)c1cc(Br)ccc1[O-] ZINC000001060927 212212965 /nfs/dbraw/zinc/21/29/65/212212965.db2.gz QDZRQFBIASQJOC-MRXNPFEDSA-N -1 3 392.293 3.518 50 0 GHAAHM CCOc1ccccc1NC(=O)CSc1nnc(-c2ccccc2[O-])n1CC ZINC000001049507 212209678 /nfs/dbraw/zinc/20/96/78/212209678.db2.gz LLMCVCFHADRLHL-UHFFFAOYSA-N -1 3 398.488 3.800 50 0 GHAAHM CCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccccc2Br)N1 ZINC000000845856 212188901 /nfs/dbraw/zinc/18/89/01/212188901.db2.gz VTWLQXCQVGHXFA-CYBMUJFWSA-N -1 3 379.176 3.702 50 0 GHAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc(COc3cc(C)cc(C)c3)o2)N1 ZINC000000652756 212169352 /nfs/dbraw/zinc/16/93/52/212169352.db2.gz UPLFXNJSQWFBQF-SFHVURJKSA-N -1 3 396.365 3.948 50 0 GHAAHM O=C1C(=O)N(c2cccnc2)[C@H](c2ccccc2Cl)C1=C([O-])c1ccccc1 ZINC000245015203 212133519 /nfs/dbraw/zinc/13/35/19/212133519.db2.gz LQLIFPNCYWJSQV-RBUKOAKNSA-N -1 3 390.826 3.891 50 0 GHAAHM O=S(=O)(/C=C/c1ccc(Cl)cc1)[N-]c1cc(Cl)ccc1-n1cncn1 ZINC000008053149 221024596 /nfs/dbraw/zinc/02/45/96/221024596.db2.gz NQVPERXIXBGVJK-BQYQJAHWSA-N -1 3 395.271 3.987 50 0 GHAAHM O=S(=O)([N-]C[C@H](c1ccsc1)N1CCCCCC1)c1ccccc1F ZINC000008901189 221063433 /nfs/dbraw/zinc/06/34/33/221063433.db2.gz RBOSZUHRRVJJRV-QGZVFWFLSA-N -1 3 382.526 3.783 50 0 GHAAHM CCc1ccccc1N1C[C@@H](c2nnc([N-]C(=O)c3cccs3)s2)CC1=O ZINC000009199410 221074005 /nfs/dbraw/zinc/07/40/05/221074005.db2.gz YYOMBKSNINTKEQ-ZDUSSCGKSA-N -1 3 398.513 3.935 50 0 GHAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](c1cccs1)c1ccc2c(c1)CCC2 ZINC000010519119 221105303 /nfs/dbraw/zinc/10/53/03/221105303.db2.gz DGIUEYKMTIIGSK-GOSISDBHSA-N -1 3 388.514 3.910 50 0 GHAAHM COc1ccc(C(=O)NC[C@@H](C)c2nc3ccccc3n2C(F)F)c([O-])c1 ZINC000010637516 221106387 /nfs/dbraw/zinc/10/63/87/221106387.db2.gz RWFBBWWLFMTRRW-LLVKDONJSA-N -1 3 375.375 3.679 50 0 GHAAHM O=C([O-])[C@H](c1c[nH]c2cc(Cl)ccc21)N1CCN(c2ccc(F)cc2)CC1 ZINC000012321605 221180676 /nfs/dbraw/zinc/18/06/76/221180676.db2.gz OSUKMUUULYYHGB-IBGZPJMESA-N -1 3 387.842 3.908 50 0 GHAAHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000013494913 221270154 /nfs/dbraw/zinc/27/01/54/221270154.db2.gz BIUWQNCRXMBYDA-SNVBAGLBSA-N -1 3 381.816 3.569 50 0 GHAAHM O=C(CSc1n[n-]c([C@H]2CCCO2)n1)NC(c1ccccc1)c1ccccc1 ZINC000014077127 221299112 /nfs/dbraw/zinc/29/91/12/221299112.db2.gz PYOSVUAQSQPZCP-QGZVFWFLSA-N -1 3 394.500 3.654 50 0 GHAAHM CCCOc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1OCCC ZINC000014168386 221300555 /nfs/dbraw/zinc/30/05/55/221300555.db2.gz DZXSIHLXFNZSSL-UHFFFAOYSA-N -1 3 381.436 3.697 50 0 GHAAHM CCCOc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1OCCC ZINC000014168386 221300559 /nfs/dbraw/zinc/30/05/59/221300559.db2.gz DZXSIHLXFNZSSL-UHFFFAOYSA-N -1 3 381.436 3.697 50 0 GHAAHM COc1ccc(CCNCc2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1OC ZINC000015082183 221332743 /nfs/dbraw/zinc/33/27/43/221332743.db2.gz AFVOGMQEVUKAKK-UHFFFAOYSA-N -1 3 381.428 3.994 50 0 GHAAHM CCC[C@@H]1[C@@H]2C(=O)N(c3ccccc3OCC)C([O-])=C2ON1c1ccccc1 ZINC000018086160 221386872 /nfs/dbraw/zinc/38/68/72/221386872.db2.gz DYGSNVAEYHBMBN-HOJAQTOUSA-N -1 3 380.444 3.564 50 0 GHAAHM C[C@H]1CN(c2cccc(-c3ccccc3)c2)C(=O)CN1C(=O)c1cccc([O-])c1 ZINC000082099345 136173644 /nfs/dbraw/zinc/17/36/44/136173644.db2.gz PRESYNMKWMHJLB-KRWDZBQOSA-N -1 3 386.451 3.937 50 0 GHAAHM CCCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc21 ZINC000008840725 136195767 /nfs/dbraw/zinc/19/57/67/136195767.db2.gz LTUDQIFSOKMNLB-UHFFFAOYSA-N -1 3 376.453 3.706 50 0 GHAAHM Cc1cc([C@H](C(=O)[O-])N2CCC(C(=O)NC3CCCCCC3)CC2)ccc1F ZINC000055244294 222018122 /nfs/dbraw/zinc/01/81/22/222018122.db2.gz CXPCPKHKLSDYMX-HXUWFJFHSA-N -1 3 390.499 3.811 50 0 GHAAHM CC[C@@H](C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)c1ccccc1 ZINC000058251172 222047352 /nfs/dbraw/zinc/04/73/52/222047352.db2.gz FKSIFAOGYKNEGY-MRXNPFEDSA-N -1 3 376.478 3.589 50 0 GHAAHM Cc1cc(OCCCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)ccc1Cl ZINC000078714624 222296940 /nfs/dbraw/zinc/29/69/40/222296940.db2.gz GWGZXDQSMPTVCU-UHFFFAOYSA-N -1 3 385.855 3.550 50 0 GHAAHM Cc1cc(OCCCC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)ccc1Cl ZINC000078714624 222296945 /nfs/dbraw/zinc/29/69/45/222296945.db2.gz GWGZXDQSMPTVCU-UHFFFAOYSA-N -1 3 385.855 3.550 50 0 GHAAHM COc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CC4)n3)ccc2C)cc1 ZINC000033269650 524685789 /nfs/dbraw/zinc/68/57/89/524685789.db2.gz GQGPHKDEQVRNHY-UHFFFAOYSA-N -1 3 385.445 3.732 50 0 GHAAHM Cc1oc(-c2ccccc2C)nc1CSc1nc2c(nc(C)[n-]c2=O)n1C ZINC000019625830 560094020 /nfs/dbraw/zinc/09/40/20/560094020.db2.gz GBJWKGVRNVQFFT-UHFFFAOYSA-N -1 3 381.461 3.529 50 0 biogenic,in-vitro GHAAHM CCOP(=O)(OCC)C(NC(=O)c1ccco1)=C([O-])c1ccc(C)cc1 ZINC000002107281 570274783 /nfs/dbraw/zinc/27/47/83/570274783.db2.gz DNQJTBJYNNQVJS-GOSISDBHSA-N -1 3 379.349 3.793 50 0 GHAAHM Cc1c([O-])ccc2c(CSc3nnc(-c4ccccc4)n3C)cc(=O)oc12 ZINC000006139797 570276367 /nfs/dbraw/zinc/27/63/67/570276367.db2.gz MCNLENOIVJRBOC-UHFFFAOYSA-N -1 3 379.441 3.895 50 0 GHAAHM CCOC(=O)[C@]([N-]c1cccc(C)c1)(NC(=O)c1ccccc1)C(F)(F)F ZINC000003138029 570330356 /nfs/dbraw/zinc/33/03/56/570330356.db2.gz PNTKESUTOCDXCC-SFHVURJKSA-N -1 3 380.366 3.659 50 0 GHAAHM O=S(=O)([N-]Cc1nccnc1-c1cccs1)c1ccccc1C(F)(F)F ZINC000575621384 570371159 /nfs/dbraw/zinc/37/11/59/570371159.db2.gz WJZQYCAHBQLFGL-UHFFFAOYSA-N -1 3 399.419 3.702 50 0 GHAAHM Cc1cc(N)nc(SCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)n1 ZINC000025065499 570405063 /nfs/dbraw/zinc/40/50/63/570405063.db2.gz MKZDYDSTDMPJPI-UHFFFAOYSA-N -1 3 381.486 3.625 50 0 GHAAHM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)C(C)C)ccc1F ZINC000005099682 570416759 /nfs/dbraw/zinc/41/67/59/570416759.db2.gz PECGTYYLCLFJFG-UHFFFAOYSA-N -1 3 390.480 3.870 50 0 GHAAHM C[C@@H](CCc1ccccc1)NC(=O)COc1cc([O-])c2c(c1)OC(C)(C)CC2=O ZINC000006624139 570508178 /nfs/dbraw/zinc/50/81/78/570508178.db2.gz YEGSWDGAULXLSV-HNNXBMFYSA-N -1 3 397.471 3.652 50 0 biogenic GHAAHM O=S(=O)([N-]c1ccc(I)cc1Cl)c1ccccc1 ZINC000032631640 570512544 /nfs/dbraw/zinc/51/25/44/570512544.db2.gz VSQHFINNJMFTDZ-UHFFFAOYSA-N -1 3 393.633 3.745 50 0 GHAAHM COc1ccc(F)cc1S(=O)(=O)[N-]CCc1csc(-c2cccs2)n1 ZINC000005451678 570596792 /nfs/dbraw/zinc/59/67/92/570596792.db2.gz HFHYFTIOBUAQGN-UHFFFAOYSA-N -1 3 398.506 3.540 50 0 GHAAHM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CC1 ZINC000006866755 570655143 /nfs/dbraw/zinc/65/51/43/570655143.db2.gz RJOFFBQUCLJJHA-CYBMUJFWSA-N -1 3 388.464 3.623 50 0 GHAAHM Cc1nc(-c2ccccc2)sc1CC[N-]S(=O)(=O)c1ccccc1F ZINC000004392347 570728355 /nfs/dbraw/zinc/72/83/55/570728355.db2.gz FHCVPUHHJLHJEA-UHFFFAOYSA-N -1 3 376.478 3.779 50 0 GHAAHM Cc1noc(C)c1[N-]C(=O)c1cc(-c2ccc3c(c2)OCO3)nc2onc(C)c21 ZINC000036618372 570759398 /nfs/dbraw/zinc/75/93/98/570759398.db2.gz BKEARCCTRPUTKQ-UHFFFAOYSA-N -1 3 392.371 3.784 50 0 GHAAHM COc1cc2c(cc1OC)CN(Cn1nc(-c3ccccc3)[n-]c1=S)CC2 ZINC000007076525 570784852 /nfs/dbraw/zinc/78/48/52/570784852.db2.gz LEQKTDRUJXXDEN-UHFFFAOYSA-N -1 3 382.489 3.641 50 0 GHAAHM Cc1nn(CC[N-]S(=O)(=O)c2ccc(Cl)s2)c(C)c1-c1ccccc1 ZINC000238861665 570807516 /nfs/dbraw/zinc/80/75/16/570807516.db2.gz KURBLBPXNBCMFJ-UHFFFAOYSA-N -1 3 395.937 3.860 50 0 GHAAHM Cc1cc([N-]C(=O)COc2ccc(Cl)cc2C(=O)Nc2ccccc2)on1 ZINC000032789178 570814553 /nfs/dbraw/zinc/81/45/53/570814553.db2.gz XDWMQTJZKDNWIG-UHFFFAOYSA-N -1 3 385.807 3.906 50 0 GHAAHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](C)c1ccc(Cl)cc1Cl ZINC000032895561 570887120 /nfs/dbraw/zinc/88/71/20/570887120.db2.gz FSYOENSTZSXMIN-MRVPVSSYSA-N -1 3 394.301 3.881 50 0 GHAAHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)c3cc(OC)c(OC)cc3F)nc2)n1 ZINC000097212510 570908244 /nfs/dbraw/zinc/90/82/44/570908244.db2.gz XLENLSHHHRCPAJ-LBPRGKRZSA-N -1 3 398.438 3.724 50 0 GHAAHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)c3cc(OC)c(OC)cc3F)nc2)n1 ZINC000097212511 570908301 /nfs/dbraw/zinc/90/83/01/570908301.db2.gz XLENLSHHHRCPAJ-GFCCVEGCSA-N -1 3 398.438 3.724 50 0 GHAAHM CS(=O)(=O)[N-]c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1F ZINC000032909875 570912254 /nfs/dbraw/zinc/91/22/54/570912254.db2.gz MWWQNXCBPMLPEG-UHFFFAOYSA-N -1 3 377.224 3.756 50 0 GHAAHM COC(=O)C[C@@H](c1cc(F)c(F)c(F)c1)c1oc2ccccc2c(=O)c1[O-] ZINC000253410657 856979914 /nfs/dbraw/zinc/97/99/14/856979914.db2.gz NOEWHGDUBAOLSD-NSHDSACASA-N -1 3 378.302 3.611 50 0 GHAAHM Cc1cc(C)c([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)[C@H]3C)c(C)c1 ZINC000004270471 862921277 /nfs/dbraw/zinc/92/12/77/862921277.db2.gz MVLUHPMKPATSPM-HNNXBMFYSA-N -1 3 384.501 3.809 50 0 GHAAHM Cc1c(Br)ccc([O-])c1NC(=O)C[C@@H](n1cccn1)C(F)(F)F ZINC000615473467 859955511 /nfs/dbraw/zinc/95/55/11/859955511.db2.gz FIDXKJGJDNJOCI-LLVKDONJSA-N -1 3 392.175 3.792 50 0 GHAAHM COCCn1c(-c2ccc([O-])c(C(N)=O)c2)csc1=Nc1cc(C)cc(C)c1 ZINC000254350274 916552881 /nfs/dbraw/zinc/55/28/81/916552881.db2.gz POSRJOKQEIDOIV-UHFFFAOYSA-N -1 3 397.500 3.517 50 0 GHAAHM CCCCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000002058355 291131580 /nfs/dbraw/zinc/13/15/80/291131580.db2.gz HYLVOBYVKYVWPH-INIZCTEOSA-N -1 3 396.871 3.758 50 0 biogenic,in-vitro GHAAHM COc1cc(C(=O)[N-]c2nnc(-c3cc4ccccc4o3)o2)cc(OC)c1OC ZINC000009828014 212241034 /nfs/dbraw/zinc/24/10/34/212241034.db2.gz BWEKGQBZTMVRCA-UHFFFAOYSA-N -1 3 395.371 3.761 50 0 GHAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)C(C)(C)CO3)cc1C ZINC000009173410 212163931 /nfs/dbraw/zinc/16/39/31/212163931.db2.gz MQEHAESFFVXKAS-UHFFFAOYSA-N -1 3 388.489 3.770 50 0 GHAAHM C[C@@H](Sc1nnc(N)s1)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000008216748 221032004 /nfs/dbraw/zinc/03/20/04/221032004.db2.gz ITOLIOFXYVRRJH-MRVPVSSYSA-N -1 3 387.515 3.939 50 0 GHAAHM O=C(CSc1n[n-]c(-c2cccs2)n1)Nc1ccc(N2CCCC2)cc1 ZINC000009379173 221078715 /nfs/dbraw/zinc/07/87/15/221078715.db2.gz ATOPAMDRWZNWLO-UHFFFAOYSA-N -1 3 385.518 3.864 50 0 GHAAHM Cc1cccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000009426964 221081575 /nfs/dbraw/zinc/08/15/75/221081575.db2.gz DPJUMNUJCAHMSU-NSHDSACASA-N -1 3 387.288 3.607 50 0 GHAAHM Cc1cccc2nc(C(=O)Nc3nnc(SCc4ccc(Cl)cc4)[n-]3)cn21 ZINC000009467755 221081645 /nfs/dbraw/zinc/08/16/45/221081645.db2.gz UOVODSXQUFLHAR-UHFFFAOYSA-N -1 3 398.879 3.959 50 0 GHAAHM Cc1cccc2nc(C(=O)Nc3nc(SCc4ccc(Cl)cc4)n[n-]3)cn21 ZINC000009467755 221081647 /nfs/dbraw/zinc/08/16/47/221081647.db2.gz UOVODSXQUFLHAR-UHFFFAOYSA-N -1 3 398.879 3.959 50 0 GHAAHM Cc1cccc2nc(C(=O)Nc3n[n-]c(SCc4ccc(Cl)cc4)n3)cn21 ZINC000009467755 221081649 /nfs/dbraw/zinc/08/16/49/221081649.db2.gz UOVODSXQUFLHAR-UHFFFAOYSA-N -1 3 398.879 3.959 50 0 GHAAHM COc1cccc2c(C)nc(Nc3nc(-c4ccc(F)cc4)cc(=O)[n-]3)nc12 ZINC000010157406 221098319 /nfs/dbraw/zinc/09/83/19/221098319.db2.gz ZVTYZMBSBQNJDZ-UHFFFAOYSA-N -1 3 377.379 3.580 50 0 GHAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccco1 ZINC000011847568 221131717 /nfs/dbraw/zinc/13/17/17/221131717.db2.gz ZFLJYOAQDAVHEY-CEXWTWQISA-N -1 3 394.814 3.984 50 0 GHAAHM CS(=O)(=O)[N-]c1ccc(C(=O)CCNc2cccc(Br)c2)cc1 ZINC000016626647 221366378 /nfs/dbraw/zinc/36/63/78/221366378.db2.gz LMGSGHLVPAGXBU-UHFFFAOYSA-N -1 3 397.294 3.506 50 0 GHAAHM CC(C)c1ccc(-n2c(O)c([C@@H]3NCCc4ccccc43)c(=O)[n-]c2=S)cc1 ZINC000017197985 221381263 /nfs/dbraw/zinc/38/12/63/221381263.db2.gz CAQLXFCGKVKQHU-LJQANCHMSA-N -1 3 393.512 3.959 50 0 GHAAHM CCN1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2CCC1=O ZINC000017289199 221381800 /nfs/dbraw/zinc/38/18/00/221381800.db2.gz HLBOPFBXVVJIIJ-UHFFFAOYSA-N -1 3 384.501 3.665 50 0 GHAAHM COc1cc(CN(CCCn2ccnc2)Cc2ccncc2)cc(Cl)c1[O-] ZINC000055370108 222020937 /nfs/dbraw/zinc/02/09/37/222020937.db2.gz VQRHSTXXJHDFGH-UHFFFAOYSA-N -1 3 386.883 3.738 50 0 GHAAHM CCCn1nccc1-c1csc(S(=O)(=O)[N-]Cc2cc(F)cc(F)c2)c1 ZINC000065112601 222102008 /nfs/dbraw/zinc/10/20/08/222102008.db2.gz KQPZBAHKPAKFQN-UHFFFAOYSA-N -1 3 397.472 3.778 50 0 GHAAHM Cc1ccc(F)cc1[N-]C(=O)c1nc(-c2cn(-c3cccc(Cl)c3)nn2)no1 ZINC000065236792 222114927 /nfs/dbraw/zinc/11/49/27/222114927.db2.gz ULTNUDSEXJPTPB-UHFFFAOYSA-N -1 3 398.785 3.671 50 0 GHAAHM Cc1cc(S(=O)(=O)[N-]C[C@](C)(O)c2cccs2)c(Cl)cc1Cl ZINC000077186776 222275507 /nfs/dbraw/zinc/27/55/07/222275507.db2.gz MJQHLWWTDRACKZ-AWEZNQCLSA-N -1 3 380.318 3.549 50 0 GHAAHM O=C([O-])[C@@]12CN(Cc3cnc(C4CCCCC4)nc3)C[C@@H]1c1ccccc1OC2 ZINC000095521760 222345715 /nfs/dbraw/zinc/34/57/15/222345715.db2.gz IJGYASLYLRWANX-AUSIDOKSSA-N -1 3 393.487 3.587 50 0 GHAAHM Cc1sc2[n-]c(CN3C[C@@H](C)O[C@H](C)C3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000021742882 570295574 /nfs/dbraw/zinc/29/55/74/570295574.db2.gz JPCNPMACVHYJKA-ZIAGYGMSSA-N -1 3 383.517 3.878 50 0 GHAAHM CCCCN1C(=O)C[C@@H](C(=O)Nc2ccccc2[O-])[C@@H]1c1ccc(OC)cc1 ZINC000022699105 570324963 /nfs/dbraw/zinc/32/49/63/570324963.db2.gz RHBANXRPENRQEC-UTKZUKDTSA-N -1 3 382.460 3.729 50 0 GHAAHM COc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1Br ZINC000007405113 570333343 /nfs/dbraw/zinc/33/33/43/570333343.db2.gz WVZOGYOOVVLZJK-UHFFFAOYSA-N -1 3 378.194 3.537 50 0 GHAAHM Cc1cc(=O)[n-]c(-c2ccc(CN(Cc3ccco3)Cc3cccnc3)cc2)n1 ZINC000023619179 570366806 /nfs/dbraw/zinc/36/68/06/570366806.db2.gz ICYWFRNAHJESOH-UHFFFAOYSA-N -1 3 386.455 3.936 50 0 GHAAHM CCOc1ccc([N-]S(=O)(=O)c2cc(-c3noc(CC)n3)ccc2C)cc1 ZINC000035556924 570396037 /nfs/dbraw/zinc/39/60/37/570396037.db2.gz DMWODAFXSGYQKS-UHFFFAOYSA-N -1 3 387.461 3.807 50 0 GHAAHM CS(=O)(=O)[N-]c1cc(NC(=O)c2cc(C3CC3)nc3ccccc32)ccc1F ZINC000025515998 570415274 /nfs/dbraw/zinc/41/52/74/570415274.db2.gz KZCWLCOIILQSHS-UHFFFAOYSA-N -1 3 399.447 3.875 50 0 GHAAHM O=S(=O)([N-]c1ccccc1I)c1ccccc1Cl ZINC000005126394 570421509 /nfs/dbraw/zinc/42/15/09/570421509.db2.gz OBFVVELNEMHSAU-UHFFFAOYSA-N -1 3 393.633 3.745 50 0 GHAAHM Cc1nc(-c2cccc(F)c2)sc1CC[N-]S(=O)(=O)c1ccccc1F ZINC000005137237 570423895 /nfs/dbraw/zinc/42/38/95/570423895.db2.gz BUXVWTXKTNMZIO-UHFFFAOYSA-N -1 3 394.468 3.918 50 0 GHAAHM Cc1c(C(=O)c2ccc(Cl)cc2)sc2nc(=O)c(-c3ccc([O-])cc3)nn12 ZINC000027526369 570435170 /nfs/dbraw/zinc/43/51/70/570435170.db2.gz UURVKEANTTWPFC-UHFFFAOYSA-N -1 3 397.843 3.716 50 0 GHAAHM O=C(c1c[n-]c2c(F)cccc2c1=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000223212659 570450303 /nfs/dbraw/zinc/45/03/03/570450303.db2.gz NZVTWDVEGXKYDU-QGZVFWFLSA-N -1 3 376.391 3.521 50 0 GHAAHM CCCn1c2ccccc2c([O-])c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O ZINC000006511027 570463322 /nfs/dbraw/zinc/46/33/22/570463322.db2.gz WCPRXWHAUMEVFV-UHFFFAOYSA-N -1 3 380.488 3.816 50 0 GHAAHM COc1ccccc1CN(Cc1cccs1)C(=O)c1ccc2n[n-]nc2c1 ZINC000030476565 570489535 /nfs/dbraw/zinc/48/95/35/570489535.db2.gz SKZHHJXHLVRCQS-UHFFFAOYSA-N -1 3 378.457 3.871 50 0 GHAAHM O=C(c1cc(-c2ccccc2[O-])no1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000006783128 570493394 /nfs/dbraw/zinc/49/33/94/570493394.db2.gz NBLOGTSXIBSRIN-UHFFFAOYSA-N -1 3 383.835 3.663 50 0 GHAAHM CCCN1C(=O)[C@]([N-]c2cccc(C)n2)(C(F)(F)F)N=C1c1ccccc1 ZINC000006759199 570574404 /nfs/dbraw/zinc/57/44/04/570574404.db2.gz BBHPWGVDSYCADN-GOSISDBHSA-N -1 3 376.382 3.760 50 0 GHAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000004623951 570701111 /nfs/dbraw/zinc/70/11/11/570701111.db2.gz LRLJHWYNANNHPH-CYBMUJFWSA-N -1 3 391.880 3.574 50 0 GHAAHM CCc1ccc(OCCSc2nc(-c3ccccc3)nc3cc(=O)[n-]n32)cc1 ZINC000006915671 570706254 /nfs/dbraw/zinc/70/62/54/570706254.db2.gz XRFNXOBSRSPETL-UHFFFAOYSA-N -1 3 392.484 3.818 50 0 GHAAHM O=C(Nc1c(F)cc(F)cc1Br)[C@H]1CC(c2ccccc2[O-])=NO1 ZINC000012846302 570723954 /nfs/dbraw/zinc/72/39/54/570723954.db2.gz ZEWJIHOFKLTJDF-CQSZACIVSA-N -1 3 397.175 3.565 50 0 GHAAHM CC(C)Cc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)[n-]c(=O)n1 ZINC000253536781 570734166 /nfs/dbraw/zinc/73/41/66/570734166.db2.gz OOKVZDYPIUXKCY-INIZCTEOSA-N -1 3 382.489 3.968 50 0 GHAAHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H](c2cccs2)C2CCCC2)cc1 ZINC000032746269 570793050 /nfs/dbraw/zinc/79/30/50/570793050.db2.gz ZUFHZDQYNRXMCF-QGZVFWFLSA-N -1 3 378.519 3.781 50 0 GHAAHM CC(C)(C)c1ccc(-c2nn3c([n-]2)nc(CN2CCCCCC2)cc3=O)cc1 ZINC000101747790 570832210 /nfs/dbraw/zinc/83/22/10/570832210.db2.gz OTUWBVKTYHBDQH-UHFFFAOYSA-N -1 3 379.508 3.758 50 0 GHAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000102704454 570857657 /nfs/dbraw/zinc/85/76/57/570857657.db2.gz MPPRMKQPZPPZQF-PCCBWWKXSA-N -1 3 388.398 3.877 50 0 GHAAHM CC(C)NC(=O)N([O-])[C@H]1N(CCc2ccccc2F)C(=S)SC1(C)C ZINC000004732547 570947346 /nfs/dbraw/zinc/94/73/46/570947346.db2.gz MYIASNOLAQUDRU-CQSZACIVSA-N -1 3 385.530 3.616 50 0 GHAAHM CCc1ccc(CN(C)Cc2ccccc2-c2nc(C(F)F)cc(=O)[n-]2)nc1 ZINC000023430421 837075318 /nfs/dbraw/zinc/07/53/18/837075318.db2.gz CZDATOXKUUVVIM-UHFFFAOYSA-N -1 3 384.430 3.964 50 0 GHAAHM CCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-][C@@H](C)CC)c2)cc1 ZINC000003022157 862118725 /nfs/dbraw/zinc/11/87/25/862118725.db2.gz JDIHQCBISWYXIE-ZDUSSCGKSA-N -1 3 378.469 3.717 50 0 GHAAHM C[C@@H]1CCc2c(sc3[n-]c(COC(=O)c4c(F)cccc4F)nc(=O)c23)C1 ZINC000003302582 862325185 /nfs/dbraw/zinc/32/51/85/862325185.db2.gz ARGSTVLZIYIHAL-SECBINFHSA-N -1 3 390.411 3.745 50 0 GHAAHM O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000040115345 856668947 /nfs/dbraw/zinc/66/89/47/856668947.db2.gz DNDWRGMUHMEKPH-UHFFFAOYSA-N -1 3 393.827 3.860 50 0 GHAAHM O=c1[n-]n(C2CCSCC2)c2c1[C@@H](c1ccccc1F)SCC(=O)N2 ZINC000096118052 914155625 /nfs/dbraw/zinc/15/56/25/914155625.db2.gz PYYDEBYWMUZSPT-OAHLLOKOSA-N -1 3 379.482 3.571 50 0 GHAAHM Cc1nccn1CC1(CNC(=O)c2cccc(-c3ccc(F)cc3[O-])c2)CC1 ZINC000426510614 231232356 /nfs/dbraw/zinc/23/23/56/231232356.db2.gz KPUWQXFIDNAKEU-UHFFFAOYSA-N -1 3 379.435 3.913 50 0 GHAAHM O=S(=O)([N-][C@@H](c1ccc(O)cc1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000001062612 212212608 /nfs/dbraw/zinc/21/26/08/212212608.db2.gz XVPBDMPXEQIRAU-ZDUSSCGKSA-N -1 3 380.680 3.782 50 0 GHAAHM COc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OC2CCCC2)cc(Cl)c1[O-] ZINC000000821056 212185617 /nfs/dbraw/zinc/18/56/17/212185617.db2.gz FVQMRHNFOPOHHQ-MRXNPFEDSA-N -1 3 394.855 3.510 50 0 GHAAHM Cc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)NCC(C)C)ccc1Cl ZINC000000683242 220452664 /nfs/dbraw/zinc/45/26/64/220452664.db2.gz NZISTTWRIRTFQY-UHFFFAOYSA-N -1 3 380.897 3.835 50 0 GHAAHM Cc1ccc(NC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)c([O-])c1 ZINC000008131985 221027145 /nfs/dbraw/zinc/02/71/45/221027145.db2.gz SAGQLJHUHWZZED-UHFFFAOYSA-N -1 3 397.481 3.839 50 0 GHAAHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1C ZINC000008714850 221051579 /nfs/dbraw/zinc/05/15/79/221051579.db2.gz HTRKOYBJNFVRKV-YPMHNXCESA-N -1 3 376.316 3.705 50 0 GHAAHM Cc1ccc(S(=O)(=O)Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cc1 ZINC000008715529 221051946 /nfs/dbraw/zinc/05/19/46/221051946.db2.gz XKQBJIDHLJYCOT-UHFFFAOYSA-N -1 3 396.493 3.934 50 0 GHAAHM O=C([N-]c1sc2c(c1C(=O)NCc1ccccc1)CCCC2)c1csnn1 ZINC000009250831 221075454 /nfs/dbraw/zinc/07/54/54/221075454.db2.gz HCDFOFHAPHTVBJ-UHFFFAOYSA-N -1 3 398.513 3.661 50 0 GHAAHM CCn1c(SCc2nc(-c3ccccc3C)oc2C)nc2c1nc[n-]c2=O ZINC000012413723 221189884 /nfs/dbraw/zinc/18/98/84/221189884.db2.gz OZRWKLUUAAPPEB-UHFFFAOYSA-N -1 3 381.461 3.704 50 0 biogenic,in-vitro GHAAHM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)cc1 ZINC000012760415 221226869 /nfs/dbraw/zinc/22/68/69/221226869.db2.gz IGPOJKYCGXABOE-HNNXBMFYSA-N -1 3 386.253 3.510 50 0 GHAAHM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)cc1 ZINC000012760415 221226871 /nfs/dbraw/zinc/22/68/71/221226871.db2.gz IGPOJKYCGXABOE-HNNXBMFYSA-N -1 3 386.253 3.510 50 0 GHAAHM Cc1cc(NC(=O)[C@H](C)Sc2nnc([N-]c3ccccc3F)s2)no1 ZINC000012806912 221234781 /nfs/dbraw/zinc/23/47/81/221234781.db2.gz SDHFKMSRJZHBKU-VIFPVBQESA-N -1 3 379.442 3.837 50 0 GHAAHM CC(C)(C)c1cc([N-]C(=O)COC(=O)/C=C/c2cccc3cccnc23)on1 ZINC000012927661 221246815 /nfs/dbraw/zinc/24/68/15/221246815.db2.gz IZKOMBJOLIQUQB-MDZDMXLPSA-N -1 3 379.416 3.715 50 0 GHAAHM Cc1cccc(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)c1 ZINC000017135501 221380050 /nfs/dbraw/zinc/38/00/50/221380050.db2.gz BYFDCRUVPAJVSA-UHFFFAOYSA-N -1 3 397.504 3.704 50 0 GHAAHM CCOC(=O)CSCc1nc2c(c(=O)[n-]1)C1(CCCC1)Cc1ccccc1-2 ZINC000018101355 221386986 /nfs/dbraw/zinc/38/69/86/221386986.db2.gz QVESKYALYRIXDI-UHFFFAOYSA-N -1 3 384.501 3.601 50 0 GHAAHM Cc1cc(Cl)ccc1NC(=O)[C@@H]([N-]S(=O)(=O)c1cccs1)C(C)C ZINC000021052052 221524004 /nfs/dbraw/zinc/52/40/04/221524004.db2.gz SIHNQTXCXGZQSS-HNNXBMFYSA-N -1 3 386.926 3.652 50 0 GHAAHM O=C([N-]c1nnc(-c2ccc(C(F)(F)F)cc2)o1)c1cnc2ccccc2n1 ZINC000062017503 222066047 /nfs/dbraw/zinc/06/60/47/222066047.db2.gz GDVFGBFEJMHLOC-UHFFFAOYSA-N -1 3 385.305 3.951 50 0 GHAAHM O=S(=O)([N-]CCn1c2ccccc2nc1-c1ccccc1)c1cccs1 ZINC000064888203 222085965 /nfs/dbraw/zinc/08/59/65/222085965.db2.gz LZJIEIBQGQHKHI-UHFFFAOYSA-N -1 3 383.498 3.743 50 0 GHAAHM O=c1nc(Cc2nnc3n2CCCCC3)[n-]c2sc(-c3ccccc3)cc21 ZINC000066606111 222140775 /nfs/dbraw/zinc/14/07/75/222140775.db2.gz QGVXOWMNXDKSQV-UHFFFAOYSA-N -1 3 377.473 3.560 50 0 GHAAHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)NCCO[C@@H]3CCCC[C@H]3C)c2)n1 ZINC000069518406 222175514 /nfs/dbraw/zinc/17/55/14/222175514.db2.gz VDVVMBUDYURKQW-DNVCBOLYSA-N -1 3 398.507 3.716 50 0 GHAAHM CC1(C)Cc2ccc(C(=O)N3CCC(OCCc4ccccc4)CC3)c([O-])c2O1 ZINC000078441321 222297403 /nfs/dbraw/zinc/29/74/03/222297403.db2.gz DNXZHIKFUDSAOX-UHFFFAOYSA-N -1 3 395.499 3.970 50 0 GHAAHM Cc1cccc(C)c1NC(=O)CSCCn1c2ccccc2s/c1=N/[O-] ZINC000102296687 570288250 /nfs/dbraw/zinc/28/82/50/570288250.db2.gz MADALSPGFHASOJ-XUTLUUPISA-N -1 3 387.530 3.981 50 0 GHAAHM C[C@@H]1CN(Cc2nc(=O)c3c(-c4ccc(Cl)cc4)csc3[n-]2)C[C@H](C)O1 ZINC000021548636 570292242 /nfs/dbraw/zinc/29/22/42/570292242.db2.gz XDUYYHVIOXXGBU-TXEJJXNPSA-N -1 3 389.908 3.914 50 0 GHAAHM CCc1c(C)sc([N-]C(=O)c2c(F)c(F)c(F)c(F)c2F)c1C(N)=O ZINC000002754713 570298488 /nfs/dbraw/zinc/29/84/88/570298488.db2.gz IOYDIAWVNWVJJP-UHFFFAOYSA-N -1 3 378.322 3.666 50 0 GHAAHM Cc1ccc(SCC[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000002842900 570307265 /nfs/dbraw/zinc/30/72/65/570307265.db2.gz QJPDZOUCBWNWFD-UHFFFAOYSA-N -1 3 392.365 3.890 50 0 GHAAHM O=C1C=C([O-])[C@H](n2cncn2)[C@@H](c2ccccc2Oc2cccc(Cl)c2)C1 ZINC000100325452 570352234 /nfs/dbraw/zinc/35/22/34/570352234.db2.gz XDHIDACLRRTDAK-YLJYHZDGSA-N -1 3 381.819 3.981 50 0 GHAAHM O=S(=O)([N-][C@@H](c1ccsc1)c1cccs1)c1cccc2nsnc21 ZINC000390831174 570365179 /nfs/dbraw/zinc/36/51/79/570365179.db2.gz QGVFWQQMGSXQQD-AWEZNQCLSA-N -1 3 393.540 3.882 50 0 GHAAHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000006314857 570376749 /nfs/dbraw/zinc/37/67/49/570376749.db2.gz IDHYBNWZUMTXRG-UHFFFAOYSA-N -1 3 393.814 3.888 50 0 GHAAHM O=C(c1cccs1)c1ccc(C[N-]S(=O)(=O)c2ccccc2F)s1 ZINC000090610590 570386570 /nfs/dbraw/zinc/38/65/70/570386570.db2.gz FBYVTWBDKXCJAP-UHFFFAOYSA-N -1 3 381.475 3.658 50 0 GHAAHM CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1ccccc1[O-] ZINC000004842429 570411012 /nfs/dbraw/zinc/41/10/12/570411012.db2.gz FSWPMUUARRUAIF-CQSZACIVSA-N -1 3 382.489 3.640 50 0 GHAAHM Cc1nc(N(C)C)sc1C(=O)[N-]c1nnc(C2(c3ccccc3)CC2)s1 ZINC000252508206 570477134 /nfs/dbraw/zinc/47/71/34/570477134.db2.gz XGEJSCVMGSAIEJ-UHFFFAOYSA-N -1 3 385.518 3.701 50 0 GHAAHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1)c1nc(-c2ccccc2Cl)no1 ZINC000006701853 570489092 /nfs/dbraw/zinc/48/90/92/570489092.db2.gz LGKYPYWMTRSMKB-JTQLQIEISA-N -1 3 381.816 3.569 50 0 GHAAHM COc1c(Br)cc(C=C2SC(=O)[N-]C2=O)cc1Br ZINC000005201146 570504690 /nfs/dbraw/zinc/50/46/90/570504690.db2.gz QXEKLTNOLUIGMQ-XBXARRHUSA-N -1 3 393.056 3.544 50 0 GHAAHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CC2(CCCC2)c2cccc(F)c21 ZINC000225458631 570576703 /nfs/dbraw/zinc/57/67/03/570576703.db2.gz PLTWDZCQQUFQBM-UHFFFAOYSA-N -1 3 379.391 3.573 50 0 GHAAHM Cc1cnc2ccc([N-]S(=O)(=O)c3cc(C)cc(Br)c3)cn12 ZINC000225530077 570584583 /nfs/dbraw/zinc/58/45/83/570584583.db2.gz KXPPMYDHAZRVCX-UHFFFAOYSA-N -1 3 380.267 3.514 50 0 GHAAHM CCCC(=O)N[C@]([N-]c1ccc(F)c(Cl)c1)(C(=O)OCC)C(F)(F)F ZINC000005645502 570679084 /nfs/dbraw/zinc/67/90/84/570679084.db2.gz NXTHGGRFKVOGMW-CQSZACIVSA-N -1 3 384.757 3.629 50 0 GHAAHM Cc1nc(-c2cccnc2)sc1CC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000004346959 570680465 /nfs/dbraw/zinc/68/04/65/570680465.db2.gz HFYFIKWYMQNPSP-UHFFFAOYSA-N -1 3 399.950 3.749 50 0 GHAAHM Cc1c(-c2nsc([N-]C(=O)c3cccs3)n2)nnn1-c1ccc(C)cc1 ZINC000006914522 570701317 /nfs/dbraw/zinc/70/13/17/570701317.db2.gz GOSTWKXBEFZIFK-UHFFFAOYSA-N -1 3 382.474 3.716 50 0 GHAAHM Cc1ccccc1OCCSc1nc(-c2ccccc2)nc2cc(=O)[n-]n21 ZINC000006915632 570706260 /nfs/dbraw/zinc/70/62/60/570706260.db2.gz NWYRAMNPGCZPMC-UHFFFAOYSA-N -1 3 378.457 3.564 50 0 GHAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccco1 ZINC000229968300 570725095 /nfs/dbraw/zinc/72/50/95/570725095.db2.gz ZFLJYOAQDAVHEY-IPMKNSEASA-N -1 3 394.814 3.984 50 0 GHAAHM CCOC(=O)c1sc([N-]C(=O)c2cc(C3CC3)on2)c(C(=O)OCC)c1C ZINC000002497994 570731301 /nfs/dbraw/zinc/73/13/01/570731301.db2.gz GXMLWLKNJKCVQI-UHFFFAOYSA-N -1 3 392.433 3.528 50 0 GHAAHM Cc1oc2ncn(CC(=O)[N-]c3cc(-c4ccccc4Cl)no3)c(=O)c2c1C ZINC000035378405 570809398 /nfs/dbraw/zinc/80/93/98/570809398.db2.gz JQVLSJLINLMRPL-UHFFFAOYSA-N -1 3 398.806 3.553 50 0 GHAAHM CSc1nc(N2[C@@H](O)C(=O)C(c3ccccc3)[C@H]2c2ccc(C)cc2)n[n-]1 ZINC000101353763 570819698 /nfs/dbraw/zinc/81/96/98/570819698.db2.gz UIHODZHMOFGMHW-AEFFLSMTSA-N -1 3 380.473 3.684 50 0 GHAAHM Cc1ccc(NCc2cc(=O)n3nc(NCc4ccccc4Cl)[n-]c3n2)cc1 ZINC000101796262 570834538 /nfs/dbraw/zinc/83/45/38/570834538.db2.gz XQTLRDJLUOXZTB-UHFFFAOYSA-N -1 3 394.866 3.604 50 0 GHAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2C)[C@H]3c2ccco2)cc1 ZINC000101997265 570840439 /nfs/dbraw/zinc/84/04/39/570840439.db2.gz GNDIHGXIRKDVMJ-PCCBWWKXSA-N -1 3 388.423 3.948 50 0 GHAAHM O=C1[C@H]2C(c3ccc(Cl)cc3)=NOC2=C([O-])N1c1ccc2ccccc2c1 ZINC000102564845 570852210 /nfs/dbraw/zinc/85/22/10/570852210.db2.gz DVUPAHROSSIUSQ-HKUYNNGSSA-N -1 3 376.799 3.786 50 0 GHAAHM Cc1ccc(F)c([N-]C(=O)c2sccc2S(=O)(=O)N2CCCCC2)c1 ZINC000032856060 570855655 /nfs/dbraw/zinc/85/56/55/570855655.db2.gz ANODOJPVMPKPMM-UHFFFAOYSA-N -1 3 382.482 3.623 50 0 GHAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3CCC)cc1 ZINC000102698322 570857366 /nfs/dbraw/zinc/85/73/66/570857366.db2.gz GQPKHYLBDZZBAC-PWRODBHTSA-N -1 3 394.471 3.954 50 0 GHAAHM Cc1cc(C)nc(-n2nc3[n-]cc4c(c-3c2=O)C[C@H](c2ccccc2C)CC4=O)n1 ZINC000102750122 570860873 /nfs/dbraw/zinc/86/08/73/570860873.db2.gz FHFONMSCJFXWHB-HNNXBMFYSA-N -1 3 399.454 3.754 50 0 GHAAHM C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000015044210 570873754 /nfs/dbraw/zinc/87/37/54/570873754.db2.gz BCOZCHIFQIFKFD-OAHLLOKOSA-N -1 3 391.471 3.795 50 0 GHAAHM CC(C)c1ccc(CCCNC(=O)N2CCC[C@@H](c3cc(=O)[n-]cn3)C2)cc1 ZINC000534662634 570922252 /nfs/dbraw/zinc/92/22/52/570922252.db2.gz IYYDSTDQSLNMKC-LJQANCHMSA-N -1 3 382.508 3.827 50 0 GHAAHM CC[C@@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1cc(Cl)c(Br)[n-]1 ZINC000032936295 570948241 /nfs/dbraw/zinc/94/82/41/570948241.db2.gz PCWMRZIYDSQIKD-NXEZZACHSA-N -1 3 391.693 3.767 50 0 GHAAHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3csc(-c4ccco4)n3)c2)n1 ZINC000047317209 570953460 /nfs/dbraw/zinc/95/34/60/570953460.db2.gz XJXUNHPZWSCCJD-UHFFFAOYSA-N -1 3 378.413 3.714 50 0 GHAAHM O=C(c1cccc2ccccc21)N1CCc2nc(-c3ccc(F)cc3)[n-]c(=O)c2C1 ZINC000004755987 570966784 /nfs/dbraw/zinc/96/67/84/570966784.db2.gz QKNSTGZRFSHSHA-UHFFFAOYSA-N -1 3 399.425 3.928 50 0 GHAAHM Cn1ncc(Cl)c1C(=O)[N-]c1c(F)c(F)c(Br)c(F)c1F ZINC000002780300 861615627 /nfs/dbraw/zinc/61/56/27/861615627.db2.gz LBLYSVAGRNXGDS-UHFFFAOYSA-N -1 3 386.530 3.645 50 0 GHAAHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@@H](OCc2ccncc2)C1 ZINC000172093308 856337257 /nfs/dbraw/zinc/33/72/57/856337257.db2.gz SGRFMUZZHJJOJU-OAQYLSRUSA-N -1 3 388.467 3.809 50 0 GHAAHM COC(=O)[C@]([O-])(c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C(F)(F)F ZINC000002274926 856360034 /nfs/dbraw/zinc/36/00/34/856360034.db2.gz JWLYLUUXDXGQCY-MRXNPFEDSA-N -1 3 387.741 3.515 50 0 GHAAHM COc1cc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C(C)C)ccc1OC(F)F ZINC000095474010 860598860 /nfs/dbraw/zinc/59/88/60/860598860.db2.gz QXKHDJNHOYFROA-AWEZNQCLSA-N -1 3 399.419 3.792 50 0 GHAAHM CCc1onc(C)c1[N-]C(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1CC ZINC000153917737 888868789 /nfs/dbraw/zinc/86/87/89/888868789.db2.gz YTGABEGDCFPHLP-UHFFFAOYSA-N -1 3 383.452 3.728 50 0 GHAAHM O=C(CSCc1c(Cl)cccc1Cl)[N-]N1C(=O)c2ccccc2C1=O ZINC000001074809 212214185 /nfs/dbraw/zinc/21/41/85/212214185.db2.gz LITSRXATNKIIBM-UHFFFAOYSA-N -1 3 395.267 3.554 50 0 GHAAHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3cn4ccsc4n3)c2)cc1 ZINC000000629299 212165228 /nfs/dbraw/zinc/16/52/28/212165228.db2.gz SQVLFUQAZPHESA-UHFFFAOYSA-N -1 3 385.470 3.872 50 0 GHAAHM O=S(=O)(/C=C/c1ccccc1)[N-]C[C@@](O)(c1ccsc1)c1cccs1 ZINC000253409130 212135462 /nfs/dbraw/zinc/13/54/62/212135462.db2.gz ZNHHXKWPLFACJS-ZPHJMFTNSA-N -1 3 391.539 3.636 50 0 GHAAHM COc1cccc(Cn2c(C)c(CNCc3cccnc3)c(C(=O)[O-])c2C)c1 ZINC000008932914 221064382 /nfs/dbraw/zinc/06/43/82/221064382.db2.gz HDWTZIATZQZCNX-UHFFFAOYSA-N -1 3 379.460 3.545 50 0 GHAAHM Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3NC(=O)c2ccc3n[n-]nc3c2)c1 ZINC000012300733 221178349 /nfs/dbraw/zinc/17/83/49/221178349.db2.gz ADVBFURVILHFRD-GOSISDBHSA-N -1 3 386.459 3.568 50 0 GHAAHM COC(=O)c1ccccc1NC(=O)c1cnc2c(cccc2C(F)(F)F)c1[O-] ZINC000012421851 221192052 /nfs/dbraw/zinc/19/20/52/221192052.db2.gz HOJQMNYFHILCFR-UHFFFAOYSA-N -1 3 390.317 3.998 50 0 GHAAHM O=S(=O)([N-]CCCn1cnc2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000012629343 221215822 /nfs/dbraw/zinc/21/58/22/221215822.db2.gz KZLLJINQVQYSBJ-UHFFFAOYSA-N -1 3 384.288 3.712 50 0 GHAAHM COc1cccc(C(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2F)C3)c1[O-] ZINC000012716398 221220510 /nfs/dbraw/zinc/22/05/10/221220510.db2.gz ROMJPACZPBSQJP-HSZRJFAPSA-N -1 3 398.478 3.668 50 0 GHAAHM Cc1cc(=O)c(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])nn1-c1ccccc1 ZINC000014249195 221307447 /nfs/dbraw/zinc/30/74/47/221307447.db2.gz MSERNKKGMPFWMZ-UHFFFAOYSA-N -1 3 377.444 3.796 50 0 GHAAHM COc1ccc(CN(C)Cn2nc(-c3cccs3)[n-]c2=S)cc1OC ZINC000016353190 221360417 /nfs/dbraw/zinc/36/04/17/221360417.db2.gz RHRGUTLXXMBRBB-UHFFFAOYSA-N -1 3 376.507 3.776 50 0 GHAAHM Cc1ccccc1NC(=O)CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)[n-]1 ZINC000016841859 221372083 /nfs/dbraw/zinc/37/20/83/221372083.db2.gz UZJXHFPCLUNADX-UHFFFAOYSA-N -1 3 390.468 3.957 50 0 GHAAHM CC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)Nc2ccccc2[O-])s1 ZINC000049548718 222000389 /nfs/dbraw/zinc/00/03/89/222000389.db2.gz QUVNUKLEWFEDDH-UHFFFAOYSA-N -1 3 381.457 3.963 50 0 GHAAHM CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3ccc(C)cc3F)c(C)n2C)o1 ZINC000065186530 222108190 /nfs/dbraw/zinc/10/81/90/222108190.db2.gz PNTPDFKGLNCFBF-UHFFFAOYSA-N -1 3 392.456 3.503 50 0 GHAAHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1)c1ccoc1 ZINC000058225605 222046692 /nfs/dbraw/zinc/04/66/92/222046692.db2.gz AHPBAOQAWQJCKS-UHFFFAOYSA-N -1 3 378.356 3.611 50 0 GHAAHM O=C(CCN1C(=O)c2ccccc2N[C@H]1c1ccccc1)Nc1ccccc1[O-] ZINC000061720599 222062776 /nfs/dbraw/zinc/06/27/76/222062776.db2.gz NPTHMEWTFXFWMY-JOCHJYFZSA-N -1 3 387.439 3.988 50 0 GHAAHM CCOc1ccc2nc([N-]C(=O)c3coc(NC(=O)c4ccco4)n3)sc2c1 ZINC000062023041 222065552 /nfs/dbraw/zinc/06/55/52/222065552.db2.gz SUDPQGJGOCFPMD-UHFFFAOYSA-N -1 3 398.400 3.781 50 0 GHAAHM COc1cc(-c2ccno2)ccc1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000064979590 222092219 /nfs/dbraw/zinc/09/22/19/222092219.db2.gz QDHJAEGFYHVKCJ-UHFFFAOYSA-N -1 3 382.800 3.944 50 0 GHAAHM Cc1ccc(-c2c(-c3ccccc3)ncn2CCNc2nc(C)cc(=O)[n-]2)o1 ZINC000065465084 222131924 /nfs/dbraw/zinc/13/19/24/222131924.db2.gz ZPIOPKJSLHFRRZ-UHFFFAOYSA-N -1 3 375.432 3.622 50 0 GHAAHM COc1cccc(-c2c[nH]nc2C2CCN(C(=O)c3cccc([O-])c3)CC2)c1 ZINC000067880461 222164960 /nfs/dbraw/zinc/16/49/60/222164960.db2.gz PQLZQNINWQYBQP-UHFFFAOYSA-N -1 3 377.444 3.811 50 0 GHAAHM O=C(c1ccccc1-c1nnn[n-]1)N1CCC[C@@H](CCc2c(F)cccc2F)C1 ZINC000071753106 222192429 /nfs/dbraw/zinc/19/24/29/222192429.db2.gz BBWQVXFIBWDGDU-AWEZNQCLSA-N -1 3 397.429 3.630 50 0 GHAAHM O=C(c1ccccc1-c1nn[n-]n1)N1CCC[C@@H](CCc2c(F)cccc2F)C1 ZINC000071753106 222192433 /nfs/dbraw/zinc/19/24/33/222192433.db2.gz BBWQVXFIBWDGDU-AWEZNQCLSA-N -1 3 397.429 3.630 50 0 GHAAHM Cc1oc(-c2ccccc2Cl)nc1CN1CCC[C@@H](c2cc(=O)[n-]cn2)C1 ZINC000072422787 222257066 /nfs/dbraw/zinc/25/70/66/222257066.db2.gz YMCTYFVBZKPNTK-CQSZACIVSA-N -1 3 384.867 3.766 50 0 GHAAHM Cc1ccc(C(=O)N2CCC(c3nccn3Cc3ccccc3)CC2)c([O-])c1 ZINC000082146925 222310077 /nfs/dbraw/zinc/31/00/77/222310077.db2.gz QYFWADHFVJETFR-UHFFFAOYSA-N -1 3 375.472 3.965 50 0 GHAAHM COc1ccccc1OC1(C(=O)[O-])CCN(Cc2cc3ccccc3o2)CC1 ZINC000082134683 222310528 /nfs/dbraw/zinc/31/05/28/222310528.db2.gz MCSSOLNXMFVXPF-UHFFFAOYSA-N -1 3 381.428 3.940 50 0 GHAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)Nc3cccc4[nH]ccc43)cc2O1 ZINC000096115096 222383110 /nfs/dbraw/zinc/38/31/10/222383110.db2.gz YKENSWKTNTZBAM-UHFFFAOYSA-N -1 3 380.400 3.635 50 0 biogenic GHAAHM COc1ccccc1OC1(C(=O)[O-])CCN(c2ccnc3ccccc32)CC1 ZINC000082087619 537087980 /nfs/dbraw/zinc/08/79/80/537087980.db2.gz ZFGPXVNEQCCRGM-UHFFFAOYSA-N -1 3 378.428 3.746 50 0 GHAAHM O=C(C[C@H](c1ccccc1)c1cc(Br)ccc1[O-])N1CCOCC1 ZINC000001163243 570252406 /nfs/dbraw/zinc/25/24/06/570252406.db2.gz KBYBAHBQDVXJOU-MRXNPFEDSA-N -1 3 390.277 3.536 50 0 GHAAHM Cc1ccc(-n2c(O)c3n(-c4ccccc4)[n-]c(-c4ccccc4)c-3c2=O)cc1 ZINC000100739662 570275986 /nfs/dbraw/zinc/27/59/86/570275986.db2.gz AZEUNCWIFNZFJC-IRLDBZIGSA-N -1 3 381.435 3.778 50 0 GHAAHM Cc1nc(C)c(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)s1 ZINC000090593062 570381295 /nfs/dbraw/zinc/38/12/95/570381295.db2.gz ZONDSRHERLMLSY-UHFFFAOYSA-N -1 3 384.832 3.911 50 0 GHAAHM O=S(=O)([N-]C1CC1)c1cc(-c2nc(-c3ccc(Cl)cc3)no2)cs1 ZINC000035527585 570392993 /nfs/dbraw/zinc/39/29/93/570392993.db2.gz ICTQNWFUWPCWII-UHFFFAOYSA-N -1 3 381.866 3.559 50 0 GHAAHM Cc1cccc(-c2noc(C[N-]S(=O)(=O)c3ccc4ccccc4c3)n2)c1 ZINC000006719793 570489897 /nfs/dbraw/zinc/48/98/97/570489897.db2.gz XVEDJIAYDIJCLX-UHFFFAOYSA-N -1 3 379.441 3.677 50 0 GHAAHM CN(Cc1ccccc1)c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cn1 ZINC000072301773 570505355 /nfs/dbraw/zinc/50/53/55/570505355.db2.gz HSYICTYTPGRIKX-UHFFFAOYSA-N -1 3 389.427 3.797 50 0 GHAAHM COc1cc([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)ccc1OC(C)C ZINC000002766056 570514888 /nfs/dbraw/zinc/51/48/88/570514888.db2.gz XSQRHECHQUSESB-PXNSSMCTSA-N -1 3 380.444 3.652 50 0 biogenic GHAAHM O=C(CSc1nc2ccccc2s1)[N-]c1nc(=O)c2ccccc2s1 ZINC000009041427 570546942 /nfs/dbraw/zinc/54/69/42/570546942.db2.gz CDSRLWVJBXWOAB-UHFFFAOYSA-N -1 3 385.495 3.997 50 0 GHAAHM Cc1ccc(OCc2ccc(C(=O)N3NC=C[C@]3([O-])C(F)(F)F)o2)c(C)c1 ZINC000006922423 570706965 /nfs/dbraw/zinc/70/69/65/570706965.db2.gz XAFAELJDVXIHKI-KRWDZBQOSA-N -1 3 382.338 3.558 50 0 GHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c(Cl)c1 ZINC000007003317 570737839 /nfs/dbraw/zinc/73/78/39/570737839.db2.gz JGABANGTUBMQJJ-UHFFFAOYSA-N -1 3 382.894 3.884 50 0 GHAAHM Cc1nnc([N-]C(=O)c2csc(Nc3ccc(OC(F)F)cc3)n2)s1 ZINC000036704674 570793048 /nfs/dbraw/zinc/79/30/48/570793048.db2.gz FPFATTOIOPGPEB-UHFFFAOYSA-N -1 3 383.405 3.900 50 0 GHAAHM CC1CCN(c2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)cc2)CC1 ZINC000033077207 570805915 /nfs/dbraw/zinc/80/59/15/570805915.db2.gz GWRPHYPLHUZMBL-UHFFFAOYSA-N -1 3 397.500 3.565 50 0 GHAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)CS[C@H]2c1ccc(Br)cc1 ZINC000005690182 570811200 /nfs/dbraw/zinc/81/12/00/570811200.db2.gz AOECKCWGYHRVJH-ZDUSSCGKSA-N -1 3 382.283 3.707 50 0 GHAAHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1ccccc1 ZINC000032809320 570831923 /nfs/dbraw/zinc/83/19/23/570831923.db2.gz JFOBEUKFYRAPOP-UHFFFAOYSA-N -1 3 378.469 3.569 50 0 GHAAHM O=C1[C@H]2C(c3ccc(Cl)cc3Cl)=NOC2=C([O-])N1c1ccc(Cl)cc1 ZINC000103514963 570886126 /nfs/dbraw/zinc/88/61/26/570886126.db2.gz KKIHAPRDPGVXAB-ZFWWWQNUSA-N -1 3 395.629 3.939 50 0 GHAAHM CCCC(=O)N1CCC(c2nnc(C(=O)[N-]c3ccc(F)cc3F)s2)CC1 ZINC000033273002 570948123 /nfs/dbraw/zinc/94/81/23/570948123.db2.gz LOSBTNIKIZMOFG-UHFFFAOYSA-N -1 3 394.447 3.575 50 0 GHAAHM CC(=O)N(c1nc(C)c(C(=O)[N-]c2nnc(C3CC3)s2)s1)C1CCCC1 ZINC000044892378 570980698 /nfs/dbraw/zinc/98/06/98/570980698.db2.gz VAZYMOKKWXEXRP-UHFFFAOYSA-N -1 3 391.522 3.728 50 0 GHAAHM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1csc(NCc2ccccc2)n1 ZINC000044918745 570983034 /nfs/dbraw/zinc/98/30/34/570983034.db2.gz MNZBMLDGUNUFLB-ZDUSSCGKSA-N -1 3 387.490 3.711 50 0 GHAAHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=C2CCCC2)C(=O)N3C)cc1 ZINC000046054014 571015942 /nfs/dbraw/zinc/01/59/42/571015942.db2.gz SBOJQJUEPUXISV-UHFFFAOYSA-N -1 3 398.484 3.800 50 0 GHAAHM COc1cc(Cl)cc(CN2C[C@@H](c3cccc(F)c3)[C@H](C(=O)[O-])C2)c1OC ZINC000091724761 571027849 /nfs/dbraw/zinc/02/78/49/571027849.db2.gz VIVJHIPLGGMRTP-DLBZAZTESA-N -1 3 393.842 3.797 50 0 GHAAHM COC(=O)[C@@]([O-])(c1ccc(NC(=O)Nc2ccccc2)c(C)c1)C(F)(F)F ZINC000002323076 855237809 /nfs/dbraw/zinc/23/78/09/855237809.db2.gz BNBSPEARUPZNRY-KRWDZBQOSA-N -1 3 382.338 3.562 50 0 GHAAHM COc1cc2c(cc1OC)CN(C(=O)c1c[n-]c3c(Cl)cccc3c1=O)CC2 ZINC000217616208 894074336 /nfs/dbraw/zinc/07/43/36/894074336.db2.gz PPYFTORVCYESGE-UHFFFAOYSA-N -1 3 398.846 3.810 50 0 biogenic GHAAHM COCCCn1c(-c2ccc([O-])c(C(N)=O)c2)csc1=Nc1ccc(C)cc1 ZINC000254525455 916797751 /nfs/dbraw/zinc/79/77/51/916797751.db2.gz SFHBPQYMRKANDW-UHFFFAOYSA-N -1 3 397.500 3.598 50 0 GHAAHM COc1ccc(F)cc1S(=O)(=O)[N-]CCc1c(C)[nH]c2c1cccc2Cl ZINC000001424312 212243874 /nfs/dbraw/zinc/24/38/74/212243874.db2.gz OWUJEAIOWGOQNT-UHFFFAOYSA-N -1 3 396.871 3.798 50 0 GHAAHM COc1cc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OCCC(C)C)cc(Cl)c1[O-] ZINC000000728759 212178051 /nfs/dbraw/zinc/17/80/51/212178051.db2.gz SVHKRDIJWTUUEY-INIZCTEOSA-N -1 3 396.871 3.614 50 0 GHAAHM Cc1cc(C)c(OCC(=O)N2NC3=C(C[C@@H](C)CC3)[C@]2([O-])C(F)(F)F)c(C)c1 ZINC000245297731 212133735 /nfs/dbraw/zinc/13/37/35/212133735.db2.gz WSDOIVIDDHNPSL-LLJZQGTPSA-N -1 3 398.425 3.876 50 0 GHAAHM Cc1cc(NC(=O)CSc2n[n-]c(-c3cccs3)n2)n(-c2ccccc2)n1 ZINC000008944063 221065169 /nfs/dbraw/zinc/06/51/69/221065169.db2.gz BECRUEUHNDJMSD-UHFFFAOYSA-N -1 3 396.501 3.758 50 0 GHAAHM Cc1c(-c2nsc([N-]C(=O)c3cccs3)n2)nnn1-c1cccc(F)c1 ZINC000009638546 221087053 /nfs/dbraw/zinc/08/70/53/221087053.db2.gz ITUHCNAVVKIDMM-UHFFFAOYSA-N -1 3 386.437 3.547 50 0 GHAAHM C[C@@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)NCc1ccco1 ZINC000010316337 221100443 /nfs/dbraw/zinc/10/04/43/221100443.db2.gz XBLLLVUZHIFWLG-SNVBAGLBSA-N -1 3 378.454 3.811 50 0 GHAAHM C[C@H](Sc1n[n-]c(COc2ccc(Cl)cc2)n1)C(=O)N1CCCCCC1 ZINC000014159763 221301063 /nfs/dbraw/zinc/30/10/63/221301063.db2.gz LNXHVHUOMPHWIN-ZDUSSCGKSA-N -1 3 394.928 3.920 50 0 GHAAHM CS(=O)(=O)[N-]c1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000016248548 221359708 /nfs/dbraw/zinc/35/97/08/221359708.db2.gz DYVMAAAOSPXUQQ-UHFFFAOYSA-N -1 3 394.496 3.901 50 0 GHAAHM CCCn1c(C)cc(C(=O)CSc2nc3nc(C)cc(C)c3c(=O)[n-]2)c1C ZINC000018036376 221386051 /nfs/dbraw/zinc/38/60/51/221386051.db2.gz UZXKOJJAEBIDKK-UHFFFAOYSA-N -1 3 384.505 3.738 50 0 GHAAHM Cc1nnc([N-]C(=O)c2ccc([C@H]3CCCN3C(=O)c3ccco3)s2)s1 ZINC000020910610 221516847 /nfs/dbraw/zinc/51/68/47/221516847.db2.gz WTVSKQADTMEXNK-LLVKDONJSA-N -1 3 388.474 3.731 50 0 GHAAHM CC(C)n1nccc1-c1csc(S(=O)(=O)[N-]Cc2ccccc2F)c1 ZINC000065112510 222100609 /nfs/dbraw/zinc/10/06/09/222100609.db2.gz CZBBNCDKENCGCP-UHFFFAOYSA-N -1 3 379.482 3.810 50 0 GHAAHM CCn1nccc1-c1csc(S(=O)(=O)[N-]Cc2ccccc2Cl)c1 ZINC000065112399 222101275 /nfs/dbraw/zinc/10/12/75/222101275.db2.gz VSUZQKULAUSOME-UHFFFAOYSA-N -1 3 381.910 3.763 50 0 GHAAHM CC(=O)N1CCCSc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3F)cc21 ZINC000064951977 222089883 /nfs/dbraw/zinc/08/98/83/222089883.db2.gz RUTYXQPUILMDJC-UHFFFAOYSA-N -1 3 398.456 3.614 50 0 GHAAHM CN1CCC(Oc2ccc(-n3ccnc3-c3ccccc3C(=O)[O-])cc2)CC1 ZINC000072458644 222263016 /nfs/dbraw/zinc/26/30/16/222263016.db2.gz ARAJFARYQLRCGE-UHFFFAOYSA-N -1 3 377.444 3.711 50 0 GHAAHM COC1(C[N-]S(=O)(=O)Cc2ccccc2Cl)C2CC3CC(C2)CC1C3 ZINC000096123891 222384775 /nfs/dbraw/zinc/38/47/75/222384775.db2.gz OUXZCYIINZJKTJ-UHFFFAOYSA-N -1 3 383.941 3.601 50 0 GHAAHM CN(Cc1ccsc1)Cc1ccccc1-c1nc([C@H]2CCCO2)cc(=O)[n-]1 ZINC000023153428 523487221 /nfs/dbraw/zinc/48/72/21/523487221.db2.gz PBAULHZWCRIKQJ-LJQANCHMSA-N -1 3 381.501 3.982 50 0 GHAAHM CCc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000023623946 570328563 /nfs/dbraw/zinc/32/85/63/570328563.db2.gz VCZHGSMKGSXOFH-UHFFFAOYSA-N -1 3 378.881 3.595 50 0 GHAAHM CCCOc1ccc(CN(CCC)C(=O)c2ccc3n[n-]nc3c2)cc1OC ZINC000008391560 570377880 /nfs/dbraw/zinc/37/78/80/570377880.db2.gz CTTDCRXLGAGLRD-UHFFFAOYSA-N -1 3 382.464 3.808 50 0 GHAAHM COc1ccc(-c2cc(C(=O)[N-]c3nncs3)nn2-c2ccccc2)cc1 ZINC000044397468 570443388 /nfs/dbraw/zinc/44/33/88/570443388.db2.gz SSQMPBLCQMSTOA-UHFFFAOYSA-N -1 3 377.429 3.652 50 0 GHAAHM COc1ccccc1C(=O)[N-]n1c(=O)c2ccccc2nc1-c1ccc(F)cc1 ZINC000005198451 570500501 /nfs/dbraw/zinc/50/05/01/570500501.db2.gz QTODVNGVLIQTNQ-UHFFFAOYSA-N -1 3 389.386 3.595 50 0 GHAAHM CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000225674013 570601514 /nfs/dbraw/zinc/60/15/14/570601514.db2.gz RBHJCNFDOWDJAX-AWEZNQCLSA-N -1 3 396.915 3.742 50 0 GHAAHM CCOc1ccc(NC(=O)c2c([O-])c3c(n(CC(C)C)c2=O)CCCC3)cc1 ZINC000005565219 570645159 /nfs/dbraw/zinc/64/51/59/570645159.db2.gz FIDOTBZBYJSQAH-UHFFFAOYSA-N -1 3 384.476 3.740 50 0 GHAAHM CCCCc1noc([C@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)n1 ZINC000032788808 570810489 /nfs/dbraw/zinc/81/04/89/570810489.db2.gz XQBDEFXRDQBZPV-LBPRGKRZSA-N -1 3 396.476 3.688 50 0 GHAAHM O=S(=O)([N-]CCCSc1ccccc1)c1ccc(Br)s1 ZINC000007216914 570816977 /nfs/dbraw/zinc/81/69/77/570816977.db2.gz VCDGVWCFXQTWSM-UHFFFAOYSA-N -1 3 392.365 3.971 50 0 GHAAHM CSc1nc(N2[C@@H](c3ccc(C)cc3)C(c3ccccc3)C(=O)[C@@H]2O)n[n-]1 ZINC000101353764 570819772 /nfs/dbraw/zinc/81/97/72/570819772.db2.gz UIHODZHMOFGMHW-WMZOPIPTSA-N -1 3 380.473 3.684 50 0 GHAAHM O=c1nc(CNc2ccc3c(c2)OCO3)[n-]c2sc(-c3ccccc3)cc21 ZINC000007286052 570824652 /nfs/dbraw/zinc/82/46/52/570824652.db2.gz SIMUMEVEOANBON-UHFFFAOYSA-N -1 3 377.425 3.992 50 0 GHAAHM Cc1ccc(NCc2cc(=O)n3nc(NCc4ccccc4)[n-]c3n2)cc1Cl ZINC000101795794 570833856 /nfs/dbraw/zinc/83/38/56/570833856.db2.gz XKNGSQKLCYZPAB-UHFFFAOYSA-N -1 3 394.866 3.604 50 0 GHAAHM CCCc1cc(-c2nc(C)c(C(=O)[N-]c3nnc(COC)s3)s2)ccn1 ZINC000071284183 570887515 /nfs/dbraw/zinc/88/75/15/570887515.db2.gz BACDVYLYZXXYQW-UHFFFAOYSA-N -1 3 389.506 3.716 50 0 GHAAHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCCN(Cc2ccccc2)CC1 ZINC000188919227 570911472 /nfs/dbraw/zinc/91/14/72/570911472.db2.gz WCCNUQXGKJDZFZ-UHFFFAOYSA-N -1 3 378.394 3.759 50 0 GHAAHM COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000046017685 571011703 /nfs/dbraw/zinc/01/17/03/571011703.db2.gz CVFFJGUDGJYKNH-IBGZPJMESA-N -1 3 378.428 3.523 50 0 GHAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1-c1nc(CC)no1 ZINC000046020118 571012319 /nfs/dbraw/zinc/01/23/19/571012319.db2.gz GIRGGVZBEFAEOQ-UHFFFAOYSA-N -1 3 391.424 3.638 50 0 GHAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1NC(C)=O ZINC000004813768 571042973 /nfs/dbraw/zinc/04/29/73/571042973.db2.gz GBBBSVUDPKHZCW-UHFFFAOYSA-N -1 3 382.869 3.806 50 0 GHAAHM CCOC(=O)[C@@]([O-])(c1ccc(NC(=O)c2cccs2)c(C)c1)C(F)(F)F ZINC000004208120 862869304 /nfs/dbraw/zinc/86/93/04/862869304.db2.gz ONQGDMYQQHDVFF-INIZCTEOSA-N -1 3 387.379 3.622 50 0 GHAAHM CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2ccccc2F)CCO1 ZINC000096117618 860787748 /nfs/dbraw/zinc/78/77/48/860787748.db2.gz IEVNHGLIIHHBHO-MEDUHNTESA-N -1 3 391.468 3.633 50 0 GHAAHM CCc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2ccc(F)cc2Cl)n1 ZINC000096379804 860910336 /nfs/dbraw/zinc/91/03/36/860910336.db2.gz JHCPZOUUIZQDCW-UHFFFAOYSA-N -1 3 398.847 3.837 50 0 GHAAHM CCOC(=O)[C@@]([N-]c1cccc(Cl)c1)(NC(=O)[C@@H](C)CC)C(F)(F)F ZINC000002311850 871948962 /nfs/dbraw/zinc/94/89/62/871948962.db2.gz CUKRKFBZOHBYGL-ZUZCIYMTSA-N -1 3 380.794 3.736 50 0 GHAAHM CCc1nc(C)c(CC(=O)N[C@H](c2cccnc2)c2ccc(C)c(C)c2)c(=O)[n-]1 ZINC000670460994 893659079 /nfs/dbraw/zinc/65/90/79/893659079.db2.gz JRTZMXLVNRVILH-QFIPXVFZSA-N -1 3 390.487 3.513 50 0 GHAAHM O=C1C[C@@H](c2ccc(Cl)cc2Cl)c2c(=O)[n-]c(N3CCCC3)nc2N1 ZINC000828323408 907659928 /nfs/dbraw/zinc/65/99/28/907659928.db2.gz UVMIPHHTWKFZHF-NSHDSACASA-N -1 3 379.247 3.563 50 0 GHAAHM COc1ccc(-c2nsc([N-]C(=O)c3ccncc3C(F)(F)F)n2)cc1 ZINC000193078103 231028535 /nfs/dbraw/zinc/02/85/35/231028535.db2.gz VKLHFWNRMPNGDN-UHFFFAOYSA-N -1 3 380.351 3.880 50 0 GHAAHM CC(C)(C)[N-]S(=O)(=O)c1cc(NCc2cc(F)c(F)cc2F)ccc1F ZINC000328594834 212082139 /nfs/dbraw/zinc/08/21/39/212082139.db2.gz CSPGPAYPXCUPFF-UHFFFAOYSA-N -1 3 390.402 3.932 50 0 GHAAHM COc1ccccc1C(=O)[N-]n1c(=O)c2ccccc2nc1-c1ccccc1F ZINC000005199047 220843433 /nfs/dbraw/zinc/84/34/33/220843433.db2.gz FMILVYGSIKDWKM-UHFFFAOYSA-N -1 3 389.386 3.595 50 0 GHAAHM Cc1ccnc2nc(C(=O)[N-]c3nc(-c4cccc5ccccc54)cs3)nn21 ZINC000007688832 221005326 /nfs/dbraw/zinc/00/53/26/221005326.db2.gz GRGZYBZBORHCQN-UHFFFAOYSA-N -1 3 386.440 3.962 50 0 GHAAHM O=C1[C@@H]2C(c3ccc(Cl)cc3)=NOC2=C([O-])N1c1ccc2ccccc2c1 ZINC000008520871 221043087 /nfs/dbraw/zinc/04/30/87/221043087.db2.gz DVUPAHROSSIUSQ-IEBWSBKVSA-N -1 3 376.799 3.786 50 0 GHAAHM C[C@H](Sc1nnc([N-]c2ccccc2Cl)s1)C(=O)NC[C@@H]1CCCO1 ZINC000008745617 221053907 /nfs/dbraw/zinc/05/39/07/221053907.db2.gz QQUMMQJFHOKTCH-QWRGUYRKSA-N -1 3 398.941 3.711 50 0 GHAAHM CCc1ccc(N2C[C@H](c3nnc([N-]C(=O)c4cccs4)s3)CC2=O)cc1 ZINC000009197981 221074020 /nfs/dbraw/zinc/07/40/20/221074020.db2.gz NJIQSVLJXSUPDX-CYBMUJFWSA-N -1 3 398.513 3.935 50 0 GHAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](c1cccs1)c1ccc2c(c1)CCC2 ZINC000010519118 221105221 /nfs/dbraw/zinc/10/52/21/221105221.db2.gz DGIUEYKMTIIGSK-SFHVURJKSA-N -1 3 388.514 3.910 50 0 GHAAHM Cc1ccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2C)c(Cl)c1 ZINC000015669317 221337367 /nfs/dbraw/zinc/33/73/67/221337367.db2.gz DYKYQQJSLAKZQW-UHFFFAOYSA-N -1 3 389.864 3.508 50 0 GHAAHM Cc1cc(-c2csc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)n2)c(C)s1 ZINC000016470539 221363116 /nfs/dbraw/zinc/36/31/16/221363116.db2.gz YLTIMYXEBNJYNX-UHFFFAOYSA-N -1 3 388.518 3.760 50 0 GHAAHM CCSc1nnc([N-]C(=O)c2cc(-c3ccc(C)c(C)c3O)[nH]n2)s1 ZINC000015973859 221353936 /nfs/dbraw/zinc/35/39/36/221353936.db2.gz LTTQCUUNKVCQRG-UHFFFAOYSA-N -1 3 375.479 3.615 50 0 GHAAHM Cc1sc2[n-]c([C@H](C)OC(=O)Cn3ccc4ccccc43)nc(=O)c2c1C ZINC000052376593 222006523 /nfs/dbraw/zinc/00/65/23/222006523.db2.gz DKUKOWGMXFRPGX-LBPRGKRZSA-N -1 3 381.457 3.861 50 0 GHAAHM O=C(CCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)Nc1ccccc1[O-] ZINC000054360730 222013659 /nfs/dbraw/zinc/01/36/59/222013659.db2.gz FATUCIDGVFUMPN-WJDWOHSUSA-N -1 3 386.404 3.596 50 0 GHAAHM CCn1nccc1-c1csc(S(=O)(=O)[N-]Cc2ccc(SC)cc2)c1 ZINC000065112472 222100341 /nfs/dbraw/zinc/10/03/41/222100341.db2.gz YWYZMCBPZVPOKK-UHFFFAOYSA-N -1 3 393.559 3.832 50 0 GHAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccn1Cc1ccccc1 ZINC000064959369 222091339 /nfs/dbraw/zinc/09/13/39/222091339.db2.gz LBLMNLSTDNKHHB-UHFFFAOYSA-N -1 3 390.892 3.677 50 0 GHAAHM Cc1ccc([N-]C(=O)c2nc(-c3cn(-c4ccc(Cl)cc4)nn3)no2)cc1F ZINC000065236762 222114427 /nfs/dbraw/zinc/11/44/27/222114427.db2.gz AFLLZXWGKUJFIA-UHFFFAOYSA-N -1 3 398.785 3.671 50 0 GHAAHM Cc1ccc2[nH]c(C(=O)[O-])c(CN3CCC[C@H](C(=O)c4ccccn4)C3)c2c1 ZINC000067935241 222169362 /nfs/dbraw/zinc/16/93/62/222169362.db2.gz VPLZFGVZNFTRNE-HNNXBMFYSA-N -1 3 377.444 3.664 50 0 GHAAHM COc1ccccc1C(=O)NC([N-]c1ccccn1)(C(F)(F)F)C(F)(F)F ZINC000020432347 570255589 /nfs/dbraw/zinc/25/55/89/570255589.db2.gz SYWIUNMDWLKGPO-UHFFFAOYSA-N -1 3 393.287 3.753 50 0 GHAAHM CC(=O)c1ccc(N2CCN([C@H](C(=O)[O-])c3c(C)[nH]c4ccccc43)CC2)cc1 ZINC000020744761 570278740 /nfs/dbraw/zinc/27/87/40/570278740.db2.gz BVIVAZWHJOTYAG-QFIPXVFZSA-N -1 3 391.471 3.627 50 0 GHAAHM COC(=O)c1cc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c(F)cc1F ZINC000024428238 570383505 /nfs/dbraw/zinc/38/35/05/570383505.db2.gz NEBLBLGKJHOGCF-UHFFFAOYSA-N -1 3 396.198 3.859 50 0 GHAAHM COC(=O)c1cc(-c2csc(NC(=O)c3cc([O-])ccc3Cl)n2)c[nH]1 ZINC000225474123 570578186 /nfs/dbraw/zinc/57/81/86/570578186.db2.gz QTXWGTDINVABAF-UHFFFAOYSA-N -1 3 377.809 3.536 50 0 GHAAHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(-n2cnc3ccccc3c2=O)cc1 ZINC000036354485 570635562 /nfs/dbraw/zinc/63/55/62/570635562.db2.gz VZBIUZTVUAFXDL-UHFFFAOYSA-N -1 3 391.814 3.997 50 0 GHAAHM O=S(=O)([N-]C[C@H](O)c1ccc(-c2ccco2)cc1)c1ccc(Cl)s1 ZINC000585147831 570742015 /nfs/dbraw/zinc/74/20/15/570742015.db2.gz AQVAKOFZFKIOTG-ZDUSSCGKSA-N -1 3 383.878 3.673 50 0 GHAAHM CCOc1cc(-c2nnc([N-]C(=O)c3ccco3)o2)cc(OCC)c1OCC ZINC000004479404 570801509 /nfs/dbraw/zinc/80/15/09/570801509.db2.gz MGYUPVDFCQNXMZ-UHFFFAOYSA-N -1 3 387.392 3.778 50 0 GHAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2C)[C@H]3c2ccco2)cc1 ZINC000101997268 570840221 /nfs/dbraw/zinc/84/02/21/570840221.db2.gz GNDIHGXIRKDVMJ-QHAWAJNXSA-N -1 3 388.423 3.948 50 0 GHAAHM Cc1nc2ccc(NC(=O)N3CCC[C@H](c4cc(=O)[n-]c(C)n4)C3)cc2s1 ZINC000299765981 570892666 /nfs/dbraw/zinc/89/26/66/570892666.db2.gz YWZNOWJPIMZTBY-ZDUSSCGKSA-N -1 3 383.477 3.820 50 0 GHAAHM Cc1c(C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cnn1-c1cccc(C)c1 ZINC000032933480 570947361 /nfs/dbraw/zinc/94/73/61/570947361.db2.gz UHMGTYKIMPIJIY-UHFFFAOYSA-N -1 3 399.454 3.800 50 0 GHAAHM O=C(c1ccccc1Br)N1NC2=C(CCCC2)[C@@]1([O-])C(F)(F)F ZINC000004163592 570968117 /nfs/dbraw/zinc/96/81/17/570968117.db2.gz GJIJAWMNSQXSRY-IINYFYTJSA-N -1 3 391.187 3.702 50 0 GHAAHM O=S(=O)([N-]Cc1cccnc1-c1ccco1)c1ccc(Br)s1 ZINC000225662973 855285152 /nfs/dbraw/zinc/28/51/52/855285152.db2.gz POXFNTNDOYFILQ-UHFFFAOYSA-N -1 3 399.291 3.644 50 0 GHAAHM Cc1c([O-])ccc2c(CN3CCN(Cc4cccc(Cl)c4)CC3)cc(=O)oc12 ZINC000040162238 856692507 /nfs/dbraw/zinc/69/25/07/856692507.db2.gz GQQVOIPNYNIQMA-UHFFFAOYSA-N -1 3 398.890 3.778 50 0 GHAAHM CCOC(=O)[C@]([O-])(c1ccc(NC(=S)Nc2ccccc2)cc1)C(F)(F)F ZINC000002250719 860449679 /nfs/dbraw/zinc/44/96/79/860449679.db2.gz HVNGOJHBUOQLAS-QGZVFWFLSA-N -1 3 398.406 3.809 50 0 GHAAHM COc1cccc([C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)OC)c1 ZINC000096390341 860915086 /nfs/dbraw/zinc/91/50/86/860915086.db2.gz VDJSHZKUUDZITN-HNNXBMFYSA-N -1 3 390.288 3.668 50 0 GHAAHM O=C(c1cccc(Br)c1)N1NC2=C(CCCC2)[C@@]1([O-])C(F)(F)F ZINC000001212541 212230031 /nfs/dbraw/zinc/23/00/31/212230031.db2.gz UIHYJGUXVZAWCI-SMDDNHRTSA-N -1 3 391.187 3.702 50 0 GHAAHM O=S(=O)([N-]Cc1csc2ccc(Cl)cc12)c1cccc2nonc21 ZINC000001032481 212207499 /nfs/dbraw/zinc/20/74/99/212207499.db2.gz XRFXITDRKAFFNI-UHFFFAOYSA-N -1 3 379.850 3.569 50 0 GHAAHM O=C(c1ccc(Br)cc1)N1NC2=C(CCCC2)[C@@]1([O-])C(F)(F)F ZINC000000879411 212192849 /nfs/dbraw/zinc/19/28/49/212192849.db2.gz HVXHRTBVIMJUMS-SMDDNHRTSA-N -1 3 391.187 3.702 50 0 GHAAHM Cc1ccc(=O)n(C(C(=O)N[C@H](C)c2ccccc2)=C([O-])c2ccc(F)cc2)c1 ZINC000000819551 212185294 /nfs/dbraw/zinc/18/52/94/212185294.db2.gz OIFOIKKGNJJSNA-IERDGZPVSA-N -1 3 392.430 3.597 50 0 GHAAHM C[C@H]1CN(CCOc2ccc(-c3n[nH]cc3-c3ccccc3)c([O-])c2)C[C@H](C)O1 ZINC000020590819 212152184 /nfs/dbraw/zinc/15/21/84/212152184.db2.gz CTPRCYPDKCSGRM-IRXDYDNUSA-N -1 3 393.487 3.937 50 0 GHAAHM CC[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)COc1ccccc1C)N2 ZINC000239174400 212133243 /nfs/dbraw/zinc/13/32/43/212133243.db2.gz PYHQHGLUPUOWLY-GLJUWKHASA-N -1 3 384.398 3.649 50 0 GHAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccn3)cc2)cc1 ZINC000003378513 220637481 /nfs/dbraw/zinc/63/74/81/220637481.db2.gz NRCPMUUDYCQTON-UHFFFAOYSA-N -1 3 397.456 3.533 50 0 GHAAHM CCC(CC)NC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C)C ZINC000007779373 221010972 /nfs/dbraw/zinc/01/09/72/221010972.db2.gz BERFLAFMYPCTQR-HNNXBMFYSA-N -1 3 395.352 3.601 50 0 GHAAHM O=C([N-]c1nnc([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1)c1ccco1 ZINC000008654695 221048719 /nfs/dbraw/zinc/04/87/19/221048719.db2.gz REGKVEWYXIKXLN-SNVBAGLBSA-N -1 3 388.836 3.557 50 0 GHAAHM CCOc1cc(Nc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)nc(C)n1 ZINC000012226247 221170660 /nfs/dbraw/zinc/17/06/60/221170660.db2.gz KZYHHNRDUHEDGH-UHFFFAOYSA-N -1 3 384.461 3.728 50 0 GHAAHM COc1cccc(C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2F)C3)c1[O-] ZINC000012716402 221220525 /nfs/dbraw/zinc/22/05/25/221220525.db2.gz ROMJPACZPBSQJP-QHCPKHFHSA-N -1 3 398.478 3.668 50 0 GHAAHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000012791000 221232623 /nfs/dbraw/zinc/23/26/23/221232623.db2.gz PAHAWRPEUKTURM-MRVPVSSYSA-N -1 3 385.121 3.679 50 0 GHAAHM Cc1cc(F)ccc1S(=O)(=O)NN=c1[n-]cc(C(F)(F)F)cc1Cl ZINC000012895433 221242686 /nfs/dbraw/zinc/24/26/86/221242686.db2.gz RASGQFXIBAPQRI-UHFFFAOYSA-N -1 3 383.754 3.507 50 0 GHAAHM Cc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000013495315 221270074 /nfs/dbraw/zinc/27/00/74/221270074.db2.gz NPYFIMVOLUWZHY-LBPRGKRZSA-N -1 3 377.853 3.738 50 0 GHAAHM Cc1[nH]c2ccccc2c1-c1csc([N-]C(=O)c2nc3nccc(C)n3n2)n1 ZINC000014595554 221311871 /nfs/dbraw/zinc/31/18/71/221311871.db2.gz MSRHNQQZLXTFGD-UHFFFAOYSA-N -1 3 389.444 3.598 50 0 GHAAHM O=C(c1n[n-]c(-c2ccccc2)c1Br)N1CCOc2ccccc21 ZINC000065106869 136159156 /nfs/dbraw/zinc/15/91/56/136159156.db2.gz UFANHHSKRIQQDB-UHFFFAOYSA-N -1 3 384.233 3.878 50 0 GHAAHM O=C(c1[n-]nc(-c2ccccc2)c1Br)N1CCOc2ccccc21 ZINC000065106869 136159157 /nfs/dbraw/zinc/15/91/57/136159157.db2.gz UFANHHSKRIQQDB-UHFFFAOYSA-N -1 3 384.233 3.878 50 0 GHAAHM CCCCC(=O)Nc1ccc2nc(N3CCN(CCC)CC3)cc(C(=O)[O-])c2c1 ZINC000033010363 221763932 /nfs/dbraw/zinc/76/39/32/221763932.db2.gz DRULYGXPQHWKLF-UHFFFAOYSA-N -1 3 398.507 3.594 50 0 GHAAHM O=C([N-]OCc1ccccc1)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000049581375 222000970 /nfs/dbraw/zinc/00/09/70/222000970.db2.gz ZUAUPMTVGBRBNY-HXUWFJFHSA-N -1 3 388.467 3.940 50 0 GHAAHM CC(=O)N1CCC2(CC1)N=C(c1ccccc1[O-])C[C@H](c1ccc(C)cc1)N2 ZINC000065298486 222121683 /nfs/dbraw/zinc/12/16/83/222121683.db2.gz AUSGZYKTPSKTNR-HXUWFJFHSA-N -1 3 377.488 3.563 50 0 biogenic GHAAHM CC(C)CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000068732637 222172464 /nfs/dbraw/zinc/17/24/64/222172464.db2.gz GXHPOSPREOKBRV-UHFFFAOYSA-N -1 3 384.860 3.666 50 0 GHAAHM Cc1cc(=O)[n-]c(CCNC(=O)C[C@@H](c2ccccc2)c2cccc(Cl)c2)n1 ZINC000095498108 222332222 /nfs/dbraw/zinc/33/22/22/222332222.db2.gz YOTOOLDWRRZSIT-IBGZPJMESA-N -1 3 395.890 3.613 50 0 GHAAHM COCc1cc(=O)[n-]c(-c2ccc(CN(C)C/C=C/c3ccccc3)cc2)n1 ZINC000082039432 222306581 /nfs/dbraw/zinc/30/65/81/222306581.db2.gz RNAKSGGYONNVHK-RMKNXTFCSA-N -1 3 375.472 3.729 50 0 GHAAHM Cc1cc(C(=O)[N-]c2nc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)co2)no1 ZINC000096024358 222373018 /nfs/dbraw/zinc/37/30/18/222373018.db2.gz QZHUEIFYYPHLKC-UHFFFAOYSA-N -1 3 398.272 3.634 50 0 GHAAHM CO[C@@H]1CCN(c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)C1 ZINC000096122371 222384292 /nfs/dbraw/zinc/38/42/92/222384292.db2.gz FACSUWJXVCUUJF-CQSZACIVSA-N -1 3 384.860 3.505 50 0 GHAAHM O=c1c([C@@H]2NCCc3ccccc32)c([O-])[nH]c(=S)n1CCC1=CCCCC1 ZINC000020149655 570244050 /nfs/dbraw/zinc/24/40/50/570244050.db2.gz LWDWSQAXOLKUTE-GOSISDBHSA-N -1 3 383.517 3.737 50 0 GHAAHM O=c1[nH]c(=S)n(CCC2=CCCCC2)c([O-])c1[C@@H]1NCCc2ccccc21 ZINC000020149655 570244052 /nfs/dbraw/zinc/24/40/52/570244052.db2.gz LWDWSQAXOLKUTE-GOSISDBHSA-N -1 3 383.517 3.737 50 0 GHAAHM CCOC(=O)c1sc2[n-]c(Cc3c(F)cccc3Cl)nc(=O)c2c1C ZINC000046438536 570270010 /nfs/dbraw/zinc/27/00/10/570270010.db2.gz TYVIRMHZDMWAEA-UHFFFAOYSA-N -1 3 380.828 3.853 50 0 GHAAHM CC(=O)C(Sc1nn(CCOc2ccc(C)cc2)c(=S)s1)=C(C)[O-] ZINC000100137019 570305881 /nfs/dbraw/zinc/30/58/81/570305881.db2.gz OOOXNWYLKWTMIS-UHFFFAOYSA-N -1 3 382.532 3.700 50 0 GHAAHM CCCCN1C(=O)C[C@H](C(=O)Nc2ccccc2[O-])[C@H]1c1ccc(OC)cc1 ZINC000022699104 570324992 /nfs/dbraw/zinc/32/49/92/570324992.db2.gz RHBANXRPENRQEC-LAUBAEHRSA-N -1 3 382.460 3.729 50 0 GHAAHM CCCc1cc(=O)[n-]c(-c2ccc(CN3CC[C@@H](n4nc(C)cc4C)C3)cc2)n1 ZINC000023231956 570351029 /nfs/dbraw/zinc/35/10/29/570351029.db2.gz FBGDOMRPWQHAHN-OAQYLSRUSA-N -1 3 391.519 3.650 50 0 GHAAHM COc1cc([C@]([O-])(c2nc3ccccc3s2)C(F)(F)F)c(OC)cc1N ZINC000024927153 570398701 /nfs/dbraw/zinc/39/87/01/570398701.db2.gz BMLFOCKQKXBHOO-INIZCTEOSA-N -1 3 384.379 3.694 50 0 GHAAHM CC([O-])=C(N=Nc1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000252642033 570455653 /nfs/dbraw/zinc/45/56/53/570455653.db2.gz ZIRPFZPDTJRFQH-UHFFFAOYSA-N -1 3 395.278 3.546 50 0 GHAAHM CC(=O)C(=N[N-]c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000252642033 570455657 /nfs/dbraw/zinc/45/56/57/570455657.db2.gz ZIRPFZPDTJRFQH-UHFFFAOYSA-N -1 3 395.278 3.546 50 0 GHAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1cccs1 ZINC000136132771 570472197 /nfs/dbraw/zinc/47/21/97/570472197.db2.gz CTKZRGNTAQNXDM-GBESFXJTSA-N -1 3 376.437 3.799 50 0 GHAAHM CCCC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)ccc1Cl ZINC000006397620 570479065 /nfs/dbraw/zinc/47/90/65/570479065.db2.gz RKQJWPNBCDXFPS-CQSZACIVSA-N -1 3 394.924 3.909 50 0 GHAAHM CCC[C@@H]1[C@@H]2C(=O)N(c3ccccc3OCC)C([O-])=C2ON1c1ccccc1 ZINC000169355828 570490509 /nfs/dbraw/zinc/49/05/09/570490509.db2.gz DYGSNVAEYHBMBN-YZGWKJHDSA-N -1 3 380.444 3.564 50 0 GHAAHM CCOC(=O)c1sc2[n-]c([C@H](C)Nc3cccc(OC)c3)nc(=O)c2c1C ZINC000006651687 570518619 /nfs/dbraw/zinc/51/86/19/570518619.db2.gz MQFKOXJNAAQKNC-NSHDSACASA-N -1 3 387.461 3.651 50 0 GHAAHM CCCN1C(=O)[C@]([N-]c2cc(C)ccn2)(C(F)(F)F)N=C1c1ccccc1 ZINC000006760164 570574815 /nfs/dbraw/zinc/57/48/15/570574815.db2.gz CHABCCITBKYNPV-GOSISDBHSA-N -1 3 376.382 3.760 50 0 GHAAHM O=C(CSc1nnc([N-]c2ccccc2F)s1)NCc1cccs1 ZINC000006788671 570594382 /nfs/dbraw/zinc/59/43/82/570594382.db2.gz MSSNINVYGPDYLX-UHFFFAOYSA-N -1 3 380.495 3.891 50 0 GHAAHM Cc1ccc(Cl)cc1NCc1cc(=O)n2nc(NCc3ccccc3)[n-]c2n1 ZINC000101795729 570834012 /nfs/dbraw/zinc/83/40/12/570834012.db2.gz AEOSZAMGGXNLBG-UHFFFAOYSA-N -1 3 394.866 3.604 50 0 GHAAHM Cc1c(Cl)cccc1NC(=O)Cn1nc2c3cc(F)ccc3[n-]cc-2c1=O ZINC000101801003 570834782 /nfs/dbraw/zinc/83/47/82/570834782.db2.gz LETIZUSYEJFMEV-UHFFFAOYSA-N -1 3 384.798 3.569 50 0 GHAAHM O=C1c2ccccc2C2=Nc3[nH]c(=O)[n-]c(=O)c3[C@H](c3ccc(Cl)cc3)C12 ZINC000102646760 570855496 /nfs/dbraw/zinc/85/54/96/570855496.db2.gz PYNOYXDKQUMTOR-CYBMUJFWSA-N -1 3 377.787 3.678 50 0 GHAAHM O=c1[n-]c(-c2cnc(OCC(F)(F)F)cn2)nc2ccc(-c3ccccc3)cc12 ZINC000170610888 570867276 /nfs/dbraw/zinc/86/72/76/570867276.db2.gz CMQQMTQIYTTZGI-UHFFFAOYSA-N -1 3 398.344 3.988 50 0 GHAAHM CC(C)c1ccc(OCC(=O)N2NC3=C(CCCC3)[C@@]2([O-])C(F)(F)F)cc1 ZINC000033327040 570981359 /nfs/dbraw/zinc/98/13/59/570981359.db2.gz CSYGKFVGLJGQOV-MAUKXSAKSA-N -1 3 384.398 3.828 50 0 GHAAHM