smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cc(/C=C2\C(=O)Nc3ccc(Br)cc32)cc(Cl)c1[O-] ZINC000015016194 210143569 /nfs/dbraw/zinc/14/35/69/210143569.db2.gz ZWGWORVROPXLRJ-XGICHPGQSA-N -1 1 394.652 4.700 50 0 GJAAMM Cc1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)c(F)c3)c2)cs1 ZINC000013358107 210059864 /nfs/dbraw/zinc/05/98/64/210059864.db2.gz VGVGWLHNELZQLW-UHFFFAOYSA-N -1 1 380.441 4.506 50 0 GJAAMM CCc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001111005 209301115 /nfs/dbraw/zinc/30/11/15/209301115.db2.gz CUJRKKWNHWGCPC-UHFFFAOYSA-N -1 1 394.496 4.611 50 0 GJAAMM Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2)c1 ZINC000000674119 209257677 /nfs/dbraw/zinc/25/76/77/209257677.db2.gz UAPNKPGJTORZMR-UHFFFAOYSA-N -1 1 394.496 4.665 50 0 GJAAMM Nc1ncc(-c2ccccc2)c(-c2ccc(OCc3ccc(F)cc3)cc2[O-])n1 ZINC000005574855 209231937 /nfs/dbraw/zinc/23/19/37/209231937.db2.gz XSMRNEJDRWCBNE-UHFFFAOYSA-N -1 1 387.414 4.817 50 0 GJAAMM Cc1nnc(SC(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)[O-])[nH]1 ZINC000004715778 204067619 /nfs/dbraw/zinc/06/76/19/204067619.db2.gz CAQQFMWRTPRRBC-QPEQYQDCSA-N -1 1 396.255 4.898 50 0 GJAAMM Cc1nc(SC(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)[O-])n[nH]1 ZINC000004715778 204067625 /nfs/dbraw/zinc/06/76/25/204067625.db2.gz CAQQFMWRTPRRBC-QPEQYQDCSA-N -1 1 396.255 4.898 50 0 GJAAMM O=C(CC1CCCC1)Nc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000004979907 204099736 /nfs/dbraw/zinc/09/97/36/204099736.db2.gz IKWYOXXQHLPUET-UHFFFAOYSA-N -1 1 392.908 4.660 50 0 GJAAMM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000007052678 204231742 /nfs/dbraw/zinc/23/17/42/204231742.db2.gz BVYYZZQXMMRWJE-UHFFFAOYSA-N -1 1 376.275 4.712 50 0 GJAAMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)n1 ZINC000011443222 204346614 /nfs/dbraw/zinc/34/66/14/204346614.db2.gz ILBWFYXUDVVFQE-VIFPVBQESA-N -1 1 386.304 4.561 50 0 GJAAMM CCc1cc2c(cc1S(=O)(=O)[N-]c1cc(C)cc(C)c1)[nH]c1c2C(=O)CCC1 ZINC000020990506 204748707 /nfs/dbraw/zinc/74/87/07/204748707.db2.gz BLLQSUARWBQMMR-UHFFFAOYSA-N -1 1 396.512 4.667 50 0 GJAAMM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1cccc(Br)c1 ZINC000037385717 205026201 /nfs/dbraw/zinc/02/62/01/205026201.db2.gz QLLDPZGBLSAKNA-UHFFFAOYSA-N -1 1 381.078 4.557 50 0 GJAAMM Cc1cc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2nccs2)ccc1F ZINC000067298212 205245334 /nfs/dbraw/zinc/24/53/34/205245334.db2.gz GCHFDBOEYMGZRH-NMWGTECJSA-N -1 1 395.415 4.527 50 0 GJAAMM CCOc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3c2)cc1C(C)(C)C ZINC000072414295 205346631 /nfs/dbraw/zinc/34/66/31/205346631.db2.gz ODMRUAKALQNXIM-UHFFFAOYSA-N -1 1 384.501 4.732 50 0 GJAAMM O=S(=O)([N-]c1ccc(OC2CCCC2)cc1)c1ccccc1Br ZINC000028260563 206040250 /nfs/dbraw/zinc/04/02/50/206040250.db2.gz DKOUMUBUAARCPV-UHFFFAOYSA-N -1 1 396.306 4.571 50 0 GJAAMM O=c1cc(-c2ccc(Cl)cc2)nc(SCc2nc(-c3ccccc3)no2)[n-]1 ZINC000065330967 206105397 /nfs/dbraw/zinc/10/53/97/206105397.db2.gz RXOZRMBUOWZBBP-UHFFFAOYSA-N -1 1 396.859 4.845 50 0 GJAAMM O=C(NCc1ccco1)c1cc2ccc([O-])cc2o/c1=N\c1cccc(Cl)c1 ZINC000067299257 211008054 /nfs/dbraw/zinc/00/80/54/211008054.db2.gz WPSUKYDERWPOHL-FLFQWRMESA-N -1 1 394.814 4.547 50 0 GJAAMM O=C(Nc1nccs1)c1cc2ccc([O-])cc2o/c1=N\c1ccccc1Cl ZINC000067298108 211007475 /nfs/dbraw/zinc/00/74/75/211007475.db2.gz BCJZXWXMHQQVEQ-PYCFMQQDSA-N -1 1 397.843 4.733 50 0 GJAAMM Cc1cc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)c2)on1 ZINC000020580202 210347692 /nfs/dbraw/zinc/34/76/92/210347692.db2.gz WKCORUNPBJBZSW-UHFFFAOYSA-N -1 1 376.865 4.721 50 0 GJAAMM CC[C@@H](NC(=O)c1cc(Br)c([O-])c(OC)c1)c1ccc(Cl)cc1 ZINC000024964782 570399991 /nfs/dbraw/zinc/39/99/91/570399991.db2.gz OHMNOEAVSWFTDZ-CQSZACIVSA-N -1 1 398.684 4.698 50 0 GJAAMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(-c2nc(-c3ccccc3)no2)c1 ZINC000064610846 570497425 /nfs/dbraw/zinc/49/74/25/570497425.db2.gz VQBPOJMTFOFBDE-UHFFFAOYSA-N -1 1 391.452 4.513 50 0 GJAAMM O=C(Nc1ccc([O-])c(-c2nc3ccccc3o2)c1)c1cc2ccccc2oc1=O ZINC000000861627 570497878 /nfs/dbraw/zinc/49/78/78/570497878.db2.gz BAIOCYFSKWYSGU-UHFFFAOYSA-N -1 1 398.374 4.559 50 0 GJAAMM CCOc1ccccc1-c1nc2c(c(=O)[n-]1)Cc1cc(Br)ccc1O2 ZINC000006748532 570567386 /nfs/dbraw/zinc/56/73/86/570567386.db2.gz USUHWTZZNJDWDP-UHFFFAOYSA-N -1 1 399.244 4.707 50 0 GJAAMM C[C@H]1CCc2sc3nc(NCc4ccccc4)n4c(=S)[n-]nc4c3c2C1 ZINC000005999334 570812922 /nfs/dbraw/zinc/81/29/22/570812922.db2.gz GNLUOWXNFVZWKB-NSHDSACASA-N -1 1 381.530 4.738 50 0 GJAAMM O=S(=O)([N-]c1ccc(-c2noc(CCC3CCCC3)n2)cc1)c1ccccc1 ZINC000033122815 570815277 /nfs/dbraw/zinc/81/52/77/570815277.db2.gz HRBNHRQHCZMDIF-UHFFFAOYSA-N -1 1 397.500 4.660 50 0 GJAAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OC(=O)c1ccccc1 ZINC000015011589 570871492 /nfs/dbraw/zinc/87/14/92/570871492.db2.gz RRSQNBSAITWQGB-LFIBNONCSA-N -1 1 385.466 4.634 50 0 GJAAMM CCc1c(C)nc(SCc2nc(-c3ccc(Cl)cc3)oc2C)[n-]c1=O ZINC000016840805 570912960 /nfs/dbraw/zinc/91/29/60/570912960.db2.gz UZWFEYZBIBINSH-UHFFFAOYSA-N -1 1 375.881 4.962 50 0 GJAAMM O=S(=O)([N-]c1ccc(Oc2cccnc2)cc1)c1ccc2ccccc2c1 ZINC000004872242 570934175 /nfs/dbraw/zinc/93/41/75/570934175.db2.gz CMLCTQXYJNXCEP-UHFFFAOYSA-N -1 1 376.437 4.828 50 0 GJAAMM Cc1cccc(-c2nc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)no2)c1 ZINC000033276412 570951818 /nfs/dbraw/zinc/95/18/18/570951818.db2.gz SPGLAKCINCWXMO-UHFFFAOYSA-N -1 1 391.452 4.513 50 0 GJAAMM CSc1nc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3C)cc2s1 ZINC000033298817 570962592 /nfs/dbraw/zinc/96/25/92/570962592.db2.gz PAQWXSUJWJCRHU-UHFFFAOYSA-N -1 1 384.935 4.781 50 0 GJAAMM Cc1ccc(NC(=O)c2cccc(OC(=S)[N-]Cc3ccccc3)c2)cc1 ZINC000001444640 209327681 /nfs/dbraw/zinc/32/76/81/209327681.db2.gz VGHVZZBXAUUPED-UHFFFAOYSA-N -1 1 376.481 4.701 50 0 GJAAMM O=C1CCCc2oc3c(cc([N-]S(=O)(=O)c4ccccc4)c4ccccc34)c21 ZINC000001200679 209312752 /nfs/dbraw/zinc/31/27/52/209312752.db2.gz MJFVEUUVJBPFOV-UHFFFAOYSA-N -1 1 391.448 4.906 50 0 GJAAMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCCCC4)cc1 ZINC000008600728 204281359 /nfs/dbraw/zinc/28/13/59/204281359.db2.gz MMUYCKBRTWUYCJ-UHFFFAOYSA-N -1 1 396.512 4.830 50 0 aggregator GJAAMM CCCc1c(=O)[n-]c(Nc2nc(C)c3ccc(C)cc3n2)nc1-c1ccccc1 ZINC000009530656 204315990 /nfs/dbraw/zinc/31/59/90/204315990.db2.gz HBXAMHIUMPBHAW-UHFFFAOYSA-N -1 1 385.471 4.693 50 0 GJAAMM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1ccc(Br)c(F)c1 ZINC000095067875 211217556 /nfs/dbraw/zinc/21/75/56/211217556.db2.gz WXHJQRNHCIHAIK-UHFFFAOYSA-N -1 1 399.068 4.696 50 0 GJAAMM CC1=Nc2c(c(=O)[n-]n2C2CCCCCC2)[C@@H](c2ccc3c(c2)OCO3)S1 ZINC000085412052 211175230 /nfs/dbraw/zinc/17/52/30/211175230.db2.gz JDTPWIYKBAIGRB-GOSISDBHSA-N -1 1 385.489 4.687 50 0 GJAAMM O=C(NCc1ccco1)c1cc2ccc([O-])cc2o/c1=N\c1ccccc1Cl ZINC000067299253 211008169 /nfs/dbraw/zinc/00/81/69/211008169.db2.gz OLYILPDQAQXGPK-FLFQWRMESA-N -1 1 394.814 4.547 50 0 GJAAMM Cc1ccc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2ccc(C)c(C)c2)nc1 ZINC000067294220 211006573 /nfs/dbraw/zinc/00/65/73/211006573.db2.gz ZOEXKMLGPHDVRJ-LCUIJRPUSA-N -1 1 399.450 4.943 50 0 GJAAMM O=C([N-]c1nncs1)c1sc2cccc(F)c2c1COc1ccccc1 ZINC000021216053 210379844 /nfs/dbraw/zinc/37/98/44/210379844.db2.gz FZVPFONGOPVHJI-UHFFFAOYSA-N -1 1 385.445 4.723 50 0 GJAAMM Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000001040795 570237633 /nfs/dbraw/zinc/23/76/33/570237633.db2.gz AZPBMTODJDXTCY-UHFFFAOYSA-N -1 1 395.271 4.938 50 0 GJAAMM CC(=O)N(c1nc(C=C2SC(=S)[N-]C2=O)cs1)c1ccc(C)c(C)c1 ZINC000096662801 570544672 /nfs/dbraw/zinc/54/46/72/570544672.db2.gz GHHAYTOMNTZSAQ-VGOFMYFVSA-N -1 1 389.527 4.774 50 0 GJAAMM CC(C)CN1C(=S)SC(C)(C)[C@@H]1N([O-])C(=O)Nc1ccc(Cl)cc1 ZINC000000850729 570662608 /nfs/dbraw/zinc/66/26/08/570662608.db2.gz FADCHELRHXUPDF-ZDUSSCGKSA-N -1 1 387.958 4.658 50 0 GJAAMM O=C([O-])c1cc2ccccc2cc1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000000858216 570710023 /nfs/dbraw/zinc/71/00/23/570710023.db2.gz ZRTPNGVQUXDDAE-UHFFFAOYSA-N -1 1 396.251 4.646 50 0 GJAAMM CC[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000005881924 570801118 /nfs/dbraw/zinc/80/11/18/570801118.db2.gz PLQUPJQSZBRKNV-GFCCVEGCSA-N -1 1 398.322 4.772 50 0 GJAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)c2ccccc12 ZINC000004677619 570824179 /nfs/dbraw/zinc/82/41/79/570824179.db2.gz YEJXHKVLDLBXJT-UHFFFAOYSA-N -1 1 389.476 4.901 50 0 GJAAMM O=S(=O)([N-]c1cc(Cl)ccc1Cl)c1ccc(Br)s1 ZINC000014186199 570827072 /nfs/dbraw/zinc/82/70/72/570827072.db2.gz AAPXXWWIUNGUAA-UHFFFAOYSA-N -1 1 387.107 4.618 50 0 GJAAMM CCCCCCc1cc2cc(C(=O)Nc3ccc(OC)cc3)c(=O)oc2cc1[O-] ZINC000004575982 570903909 /nfs/dbraw/zinc/90/39/09/570903909.db2.gz MKWPTNMBLVSAEB-UHFFFAOYSA-N -1 1 395.455 4.882 50 0 GJAAMM CSc1nc2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc2s1 ZINC000033298811 570962454 /nfs/dbraw/zinc/96/24/54/570962454.db2.gz RHRCMBASVGPJTH-UHFFFAOYSA-N -1 1 378.544 4.942 50 0 GJAAMM Cc1oc(-c2ccccc2Cl)nc1CSc1nc2c(c(=O)[n-]1)CCCC2 ZINC000017888251 210210736 /nfs/dbraw/zinc/21/07/36/210210736.db2.gz BQDMEDPYMBMNKJ-UHFFFAOYSA-N -1 1 387.892 4.558 50 0 GJAAMM Cc1cc(C(=O)Nn2c(=O)c3cc(-c4ccccc4)sc3[n-]c2=S)cs1 ZINC000017081754 210205041 /nfs/dbraw/zinc/20/50/41/210205041.db2.gz BEFZRUOMNCBZEZ-UHFFFAOYSA-N -1 1 399.522 4.541 50 0 GJAAMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1nc2ccccc2nc1Cl ZINC000005652502 204144824 /nfs/dbraw/zinc/14/48/24/204144824.db2.gz HXTYXBPKEOXBGD-UHFFFAOYSA-N -1 1 389.908 4.690 50 0 GJAAMM O=C([O-])c1ccc(CNCc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000007524926 204242753 /nfs/dbraw/zinc/24/27/53/204242753.db2.gz AQPKBPKFIRLWLZ-UHFFFAOYSA-N -1 1 386.245 4.697 50 0 GJAAMM COc1ccc(-c2nc3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3o2)cc1 ZINC000008586684 204280274 /nfs/dbraw/zinc/28/02/74/204280274.db2.gz HPWMFVFJWXDRKW-UHFFFAOYSA-N -1 1 394.452 4.613 50 0 GJAAMM CCc1cc2c(cc1S(=O)(=O)[N-]c1ccc(C)c(C)c1)[nH]c1c2C(=O)CCC1 ZINC000009685924 204321359 /nfs/dbraw/zinc/32/13/59/204321359.db2.gz HIOQKZDMLBXQEW-UHFFFAOYSA-N -1 1 396.512 4.667 50 0 GJAAMM Cc1ccc(C)c(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2nccs2)c1 ZINC000067298029 205246139 /nfs/dbraw/zinc/24/61/39/205246139.db2.gz HXTZCTWEWQIWND-ATJXCDBQSA-N -1 1 391.452 4.696 50 0 GJAAMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC3(CCCCC3)CC2)c([O-])c1 ZINC000084240802 205392420 /nfs/dbraw/zinc/39/24/20/205392420.db2.gz OYZDQYYCUUJBPO-UHFFFAOYSA-N -1 1 388.508 4.926 50 0 GJAAMM Cc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)o1 ZINC000096116341 206118488 /nfs/dbraw/zinc/11/84/88/206118488.db2.gz VHICKUSCSQDLHF-AWEZNQCLSA-N -1 1 388.375 4.508 50 0 biogenic GJAAMM CC1=Nc2c(c(=O)[n-]n2C2CCOCC2)[C@@H](c2ccc(OC(C)C)cc2)S1 ZINC000095475587 211246575 /nfs/dbraw/zinc/24/65/75/211246575.db2.gz CIZULGQJDBNFRN-GOSISDBHSA-N -1 1 387.505 4.614 50 0 GJAAMM O=c1[nH]n(C2CCCCCC2)c2c1[C@H](c1ccc([O-])c(Cl)c1)CC(=O)N2 ZINC000071279176 211042380 /nfs/dbraw/zinc/04/23/80/211042380.db2.gz AYBNHMFODADGQP-ZDUSSCGKSA-N -1 1 375.856 4.554 50 0 GJAAMM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1nnc(CC(C)C)s1 ZINC000000947778 570231314 /nfs/dbraw/zinc/23/13/14/570231314.db2.gz XLOLKDANBLNHKH-UHFFFAOYSA-N -1 1 376.869 4.606 50 0 GJAAMM CC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3cccc4ccccc43)cc21 ZINC000001049459 570238671 /nfs/dbraw/zinc/23/86/71/570238671.db2.gz NMHFSFIIDLARLM-UHFFFAOYSA-N -1 1 379.437 4.898 50 0 GJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N)cc2-c2nc3ccccc3s2)cc1 ZINC000001476089 570241691 /nfs/dbraw/zinc/24/16/91/570241691.db2.gz HLUMYZJRPHQFAZ-UHFFFAOYSA-N -1 1 395.509 4.655 50 0 GJAAMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)C(=O)CCC4)c1C ZINC000001926282 570270046 /nfs/dbraw/zinc/27/00/46/570270046.db2.gz NYZXBKMVJYQRMI-UHFFFAOYSA-N -1 1 397.496 4.986 50 0 GJAAMM O=c1c(Cc2ccccc2)c([O-])cc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000005428346 570438980 /nfs/dbraw/zinc/43/89/80/570438980.db2.gz KMQGTBHDMPHKIX-UHFFFAOYSA-N -1 1 388.854 4.849 50 0 GJAAMM O=S(=O)([N-]c1ccc(Cc2nc3ccccc3s2)cc1)c1ccccc1 ZINC000006587002 570484456 /nfs/dbraw/zinc/48/44/56/570484456.db2.gz DDRAOVYDCJMWFL-UHFFFAOYSA-N -1 1 380.494 4.688 50 0 GJAAMM Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)[N-]c1ccc(C)cc1Cl ZINC000064947337 570604336 /nfs/dbraw/zinc/60/43/36/570604336.db2.gz IDJJSFMTXIEJLT-UHFFFAOYSA-N -1 1 389.908 4.560 50 0 GJAAMM O=S(=O)([N-]c1ccc2c(c1)OC1(CCCC1)O2)c1cccc(C(F)(F)F)c1 ZINC000007055661 570775023 /nfs/dbraw/zinc/77/50/23/570775023.db2.gz YOIHYSLWUAQHEN-UHFFFAOYSA-N -1 1 399.390 4.548 50 0 GJAAMM CCSc1nc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2s1 ZINC000033298851 570963028 /nfs/dbraw/zinc/96/30/28/570963028.db2.gz LOHHMHSTSQEUTI-UHFFFAOYSA-N -1 1 384.935 4.863 50 0 GJAAMM Cc1nnsc1C(=O)[N-]c1c2ccccc2oc1C(=O)c1ccc(Cl)cc1 ZINC000004785354 570988816 /nfs/dbraw/zinc/98/88/16/570988816.db2.gz LSJHEAXXOZXBCN-UHFFFAOYSA-N -1 1 397.843 4.729 50 0 GJAAMM Cc1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)cs1 ZINC000013357845 210058261 /nfs/dbraw/zinc/05/82/61/210058261.db2.gz WVFSOYYQGXVBNJ-UHFFFAOYSA-N -1 1 378.906 4.881 50 0 GJAAMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)co1 ZINC000012775200 210006459 /nfs/dbraw/zinc/00/64/59/210006459.db2.gz NMDQSXYBYYCJJS-UHFFFAOYSA-N -1 1 383.256 4.758 50 0 GJAAMM CCc1ccc2nc(Nc3nc(C)c(Cc4ccc(C)cc4)c(=O)[n-]3)nc(C)c2c1 ZINC000001459774 209329019 /nfs/dbraw/zinc/32/90/19/209329019.db2.gz YWWKZSVADDXBKG-UHFFFAOYSA-N -1 1 399.498 4.535 50 0 GJAAMM O=S(=O)([N-]c1cccc(-c2nc3ccccc3o2)c1)c1ccc(Cl)cc1 ZINC000001163283 209309329 /nfs/dbraw/zinc/30/93/29/209309329.db2.gz NFKWKQXJSFIYNN-UHFFFAOYSA-N -1 1 384.844 4.949 50 0 GJAAMM [O-]C(c1ccc(NC(=S)Nc2ccccc2)cc1)(C(F)(F)F)C(F)(F)F ZINC000001171014 209310226 /nfs/dbraw/zinc/31/02/26/209310226.db2.gz KHTGWSNQIKIQNH-UHFFFAOYSA-N -1 1 394.340 4.808 50 0 GJAAMM Cc1c(CNCc2ccccc2F)c(C(=O)[O-])c(C)n1Cc1ccc(C)cc1 ZINC000008611016 204282473 /nfs/dbraw/zinc/28/24/73/204282473.db2.gz TUNOLAGINCPBJH-UHFFFAOYSA-N -1 1 380.463 4.589 50 0 GJAAMM Cc1ccc(C)c(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2cccc(C)n2)c1 ZINC000067297844 205245029 /nfs/dbraw/zinc/24/50/29/205245029.db2.gz VFUINSOVWSIBPV-LCUIJRPUSA-N -1 1 399.450 4.943 50 0 GJAAMM COC(=O)c1ccc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCCC2)cc1 ZINC000085412330 205399968 /nfs/dbraw/zinc/39/99/68/205399968.db2.gz GSNTXWRFGBKUIG-SFHVURJKSA-N -1 1 399.516 4.744 50 0 GJAAMM CC1=Nc2c(c(=O)[n-]n2C2CCCCCC2)[C@H](c2ccc3c(c2)OCCO3)S1 ZINC000085412253 211176047 /nfs/dbraw/zinc/17/60/47/211176047.db2.gz KVCKTHSCGFZRQT-IBGZPJMESA-N -1 1 399.516 4.729 50 0 GJAAMM Cc1csc(-c2cc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)c(C)n2C)n1 ZINC000064668265 222077981 /nfs/dbraw/zinc/07/79/81/222077981.db2.gz UVVHCTLHKQRVCY-UHFFFAOYSA-N -1 1 389.546 4.690 50 0 GJAAMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c1 ZINC000001140087 570247431 /nfs/dbraw/zinc/24/74/31/570247431.db2.gz PWSDMHVCINAXPN-UHFFFAOYSA-N -1 1 394.496 4.665 50 0 GJAAMM CC(C)(C)c1cc(Cl)c([O-])c(NC(=O)c2cncc(Br)c2)c1 ZINC000001155463 570249925 /nfs/dbraw/zinc/24/99/25/570249925.db2.gz SNUISTQCCXUYMA-UHFFFAOYSA-N -1 1 383.673 4.753 50 0 GJAAMM Cc1ccccc1[N-]S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098073064 570263142 /nfs/dbraw/zinc/26/31/42/570263142.db2.gz GKRGIEOKJXPGTO-UHFFFAOYSA-N -1 1 394.212 4.577 50 0 GJAAMM COc1ccc(-c2cnc(N)nc2-c2ccc(OCc3ccccc3)cc2[O-])cc1 ZINC000015952633 570299556 /nfs/dbraw/zinc/29/95/56/570299556.db2.gz KXDVDILONILZSP-UHFFFAOYSA-N -1 1 399.450 4.686 50 0 GJAAMM O=S(=O)([N-]c1ccc(OC(F)F)c(Cl)c1)c1ccc2ccccc2c1 ZINC000003329676 570605345 /nfs/dbraw/zinc/60/53/45/570605345.db2.gz WWEVVUYRMMJNPO-UHFFFAOYSA-N -1 1 383.803 4.895 50 0 GJAAMM O=C1[N-]C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)S1 ZINC000000987369 570743878 /nfs/dbraw/zinc/74/38/78/570743878.db2.gz YWVWZIDNXBHUAZ-VIZOYTHASA-N -1 1 380.252 4.896 50 0 GJAAMM O=S(=O)([N-]c1cccc(-c2ccc(C(F)(F)F)cn2)c1)c1ccccc1 ZINC000022996418 570758827 /nfs/dbraw/zinc/75/88/27/570758827.db2.gz MXUCAQNTKPQVPG-UHFFFAOYSA-N -1 1 378.375 4.568 50 0 GJAAMM Cc1noc(-c2cc(S(=O)(=O)[N-]c3ccc(C)cc3C)c(C)s2)c1C ZINC000096323539 570896422 /nfs/dbraw/zinc/89/64/22/570896422.db2.gz BDPCUJWULFPRDK-UHFFFAOYSA-N -1 1 376.503 4.746 50 0 GJAAMM CC[C@H](C)c1ccccc1OCCOc1ccccc1C=C1SC(=O)[N-]C1=O ZINC000015800678 210171551 /nfs/dbraw/zinc/17/15/51/210171551.db2.gz IPCAXYWQDGSHET-CPOQMQJTSA-N -1 1 397.496 4.982 50 0 GJAAMM CCC[C@H](NC(=O)CCn1c(=S)[n-]nc1-c1cccs1)c1ccccc1 ZINC000014249924 210114402 /nfs/dbraw/zinc/11/44/02/210114402.db2.gz DUWMHDBSXDEQFH-HNNXBMFYSA-N -1 1 386.546 4.717 50 0 GJAAMM O=C(Nc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1)c1ccccc1[O-] ZINC000012375385 209945327 /nfs/dbraw/zinc/94/53/27/209945327.db2.gz UCFRXYKUCQGTOI-UHFFFAOYSA-N -1 1 390.483 4.799 50 0 GJAAMM CCCCCn1c([O-])c(C(=O)Nc2ccccc2Cl)c(=O)c2ccccc21 ZINC000002066833 209345098 /nfs/dbraw/zinc/34/50/98/209345098.db2.gz YQIJLIQEBMXGSF-UHFFFAOYSA-N -1 1 384.863 4.803 50 0 GJAAMM Cc1ccc2nc(S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)[O-])[nH]c2c1 ZINC000001453214 209328976 /nfs/dbraw/zinc/32/89/76/209328976.db2.gz GPIXLZMBKNGRSR-OAHLLOKOSA-N -1 1 381.284 4.966 50 0 GJAAMM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1cccc(Br)c1 ZINC000006316116 204174380 /nfs/dbraw/zinc/17/43/80/204174380.db2.gz HVFRVLJOSLSEAL-UHFFFAOYSA-N -1 1 381.078 4.557 50 0 GJAAMM COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000006415885 204178832 /nfs/dbraw/zinc/17/88/32/204178832.db2.gz MSMRTTSGIOPDGI-UHFFFAOYSA-N -1 1 399.312 4.534 50 0 GJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccc(F)cc4)oc3c2)cc1 ZINC000008586626 204280559 /nfs/dbraw/zinc/28/05/59/204280559.db2.gz ULHBDMPANOBSKP-UHFFFAOYSA-N -1 1 382.416 4.743 50 0 GJAAMM CCc1cc2c(cc1S(=O)(=O)[N-]c1c(C)cccc1C)[nH]c1c2C(=O)CCC1 ZINC000009685874 204320554 /nfs/dbraw/zinc/32/05/54/204320554.db2.gz GFMOAJWKQUDDNJ-UHFFFAOYSA-N -1 1 396.512 4.667 50 0 GJAAMM Cc1csc(Sc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)n1 ZINC000040146690 205058181 /nfs/dbraw/zinc/05/81/81/205058181.db2.gz CENMQDWVBQFWNU-UHFFFAOYSA-N -1 1 376.528 4.712 50 0 GJAAMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000058394227 205174390 /nfs/dbraw/zinc/17/43/90/205174390.db2.gz QKOUFPSAGPMWPR-UHFFFAOYSA-N -1 1 392.406 4.574 50 0 GJAAMM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(F)c(C)c3)c(C)s2)cs1 ZINC000065138156 205213201 /nfs/dbraw/zinc/21/32/01/205213201.db2.gz DWYPPBRKLPZPQJ-UHFFFAOYSA-N -1 1 382.507 4.737 50 0 GJAAMM O=C(Nc1nccs1)c1cc2ccc([O-])cc2o/c1=N\c1ccc(Cl)cc1 ZINC000067298123 205245763 /nfs/dbraw/zinc/24/57/63/205245763.db2.gz CHGVKHYUWOWJKU-PYCFMQQDSA-N -1 1 397.843 4.733 50 0 GJAAMM O=C(c1ccc2cccnc2c1[O-])N1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000071746524 205289067 /nfs/dbraw/zinc/28/90/67/205289067.db2.gz FYRZJTPWMCJRGJ-KRWDZBQOSA-N -1 1 378.447 4.565 50 0 GJAAMM O=c1[nH]n(C2CCCCCCC2)c2c1[C@@H](c1ccc([O-])c(Cl)c1)CC(=O)N2 ZINC000071281686 205279300 /nfs/dbraw/zinc/27/93/00/205279300.db2.gz DRSGLDCIQNWYNF-CQSZACIVSA-N -1 1 389.883 4.944 50 0 GJAAMM CCCCc1ccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)cc1 ZINC000095067944 211217444 /nfs/dbraw/zinc/21/74/44/211217444.db2.gz NPJKZJGCYZYWRE-UHFFFAOYSA-N -1 1 386.286 4.732 50 0 GJAAMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000021663231 210389858 /nfs/dbraw/zinc/38/98/58/210389858.db2.gz LOSQCCKDNUMAAB-UHFFFAOYSA-N -1 1 391.452 4.513 50 0 GJAAMM O=S(=O)([N-]c1ccc(Cl)cc1Cl)c1ccc(Br)cc1F ZINC000098073041 570263260 /nfs/dbraw/zinc/26/32/60/570263260.db2.gz HQBRENPYIPRMRS-UHFFFAOYSA-N -1 1 399.068 4.696 50 0 GJAAMM O=c1c2cc(Cl)ccc2[n-]cc1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000015828790 570268233 /nfs/dbraw/zinc/26/82/33/570268233.db2.gz YTWITNZGEDBXSP-UHFFFAOYSA-N -1 1 388.659 4.733 50 0 GJAAMM O=S(=O)(c1cc(Cl)cc(Cl)c1)c1cnc2ccc(Cl)cc2c1[O-] ZINC000015828790 570268239 /nfs/dbraw/zinc/26/82/39/570268239.db2.gz YTWITNZGEDBXSP-UHFFFAOYSA-N -1 1 388.659 4.733 50 0 GJAAMM Cc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)c1C ZINC000015974050 570304000 /nfs/dbraw/zinc/30/40/00/570304000.db2.gz WPEFFUQWYVUZHA-UHFFFAOYSA-N -1 1 377.469 4.648 50 0 aggregator GJAAMM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000026601596 570427230 /nfs/dbraw/zinc/42/72/30/570427230.db2.gz JRSFDAAXJNYIJT-UHFFFAOYSA-N -1 1 380.832 4.670 50 0 GJAAMM O=C1C[C@H](c2ccsc2)c2c(cc([O-])c3c(=O)c(-c4ccccc4)coc32)O1 ZINC000524730418 570764749 /nfs/dbraw/zinc/76/47/49/570764749.db2.gz IPEFTJPAJTWTPK-CQSZACIVSA-N -1 1 390.416 4.668 50 0 biogenic GJAAMM O=C1C[C@H](c2ccsc2)c2c(cc(=O)c3c([O-])c(-c4ccccc4)coc2-3)O1 ZINC000524730418 570764753 /nfs/dbraw/zinc/76/47/53/570764753.db2.gz IPEFTJPAJTWTPK-CQSZACIVSA-N -1 1 390.416 4.668 50 0 biogenic GJAAMM C[C@@H](C(=O)Nc1ccc(Cl)cc1F)n1c(-c2cccs2)n[n-]c1=S ZINC000065511887 570828876 /nfs/dbraw/zinc/82/88/76/570828876.db2.gz JZVZYQIYGDPCHS-QMMMGPOBSA-N -1 1 382.873 4.661 50 0 GJAAMM Cc1c2cccc(Cl)c2oc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000032898892 570888125 /nfs/dbraw/zinc/88/81/25/570888125.db2.gz QVXPWGVBSCGBBK-UHFFFAOYSA-N -1 1 397.858 4.835 50 0 GJAAMM Cc1noc(-c2cc(S(=O)(=O)[N-]c3cc(C)ccc3C)c(C)s2)c1C ZINC000096323538 570896501 /nfs/dbraw/zinc/89/65/01/570896501.db2.gz ZCDHADMMGMFGLH-UHFFFAOYSA-N -1 1 376.503 4.746 50 0 GJAAMM Cc1oc(-c2ccc(C)cc2)nc1CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000016840775 570913063 /nfs/dbraw/zinc/91/30/63/570913063.db2.gz XQHCNPHTONRBQO-UHFFFAOYSA-N -1 1 381.379 4.765 50 0 GJAAMM CCc1c(C)nc(SCc2nc(-c3cccc(Cl)c3)oc2C)[n-]c1=O ZINC000045924678 571001741 /nfs/dbraw/zinc/00/17/41/571001741.db2.gz KSZASEWKTWVRCE-UHFFFAOYSA-N -1 1 375.881 4.550 50 0 GJAAMM Cc1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)cs1 ZINC000013357848 210058630 /nfs/dbraw/zinc/05/86/30/210058630.db2.gz SWRCHHCSHFBWAK-UHFFFAOYSA-N -1 1 378.906 4.881 50 0 GJAAMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2C)c1C ZINC000000640411 209254264 /nfs/dbraw/zinc/25/42/64/209254264.db2.gz PORAJPYXAQNKBN-UHFFFAOYSA-N -1 1 394.496 4.665 50 0 GJAAMM CCOc1ccc(-c2nc(N)nc(C(F)(F)F)c2-c2ccccc2)c([O-])c1 ZINC000005555927 209232493 /nfs/dbraw/zinc/23/24/93/209232493.db2.gz HEYMFPHIOZXSAN-UHFFFAOYSA-N -1 1 375.350 4.516 50 0 GJAAMM CCOC(=O)c1c(C)n(Cc2ccccc2)c2cc(Br)c([O-])cc21 ZINC000000653403 203845438 /nfs/dbraw/zinc/84/54/38/203845438.db2.gz YHGFHBTXYJFDEN-UHFFFAOYSA-N -1 1 388.261 4.643 50 0 biogenic GJAAMM O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cc2ccc([O-])cc2oc1=O ZINC000004614767 204058052 /nfs/dbraw/zinc/05/80/52/204058052.db2.gz KOYAJLBLZLBAML-UHFFFAOYSA-N -1 1 398.827 4.528 50 0 GJAAMM C[C@@H](Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)C(=O)c1ccccc1 ZINC000006072833 204162676 /nfs/dbraw/zinc/16/26/76/204162676.db2.gz XGECAUJLYBOZFH-OAHLLOKOSA-N -1 1 386.403 4.816 50 0 biogenic GJAAMM C[C@@H](Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)C(=O)c1ccccc1 ZINC000006072833 204162678 /nfs/dbraw/zinc/16/26/78/204162678.db2.gz XGECAUJLYBOZFH-OAHLLOKOSA-N -1 1 386.403 4.816 50 0 biogenic GJAAMM CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3cn4cccc(C)c4n3)c2)cc1 ZINC000006143560 204168367 /nfs/dbraw/zinc/16/83/67/204168367.db2.gz GVGDWFPVMONMDP-UHFFFAOYSA-N -1 1 391.496 4.673 50 0 GJAAMM Cc1ccc2[nH]c(-c3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3)nc2c1 ZINC000009526048 204313969 /nfs/dbraw/zinc/31/39/69/204313969.db2.gz XDXFKLSILRXSNG-UHFFFAOYSA-N -1 1 397.887 4.993 50 0 GJAAMM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3)[nH]c2c1 ZINC000009526048 204313974 /nfs/dbraw/zinc/31/39/74/204313974.db2.gz XDXFKLSILRXSNG-UHFFFAOYSA-N -1 1 397.887 4.993 50 0 GJAAMM Cc1cccc([N-]S(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)c1 ZINC000009685590 204320893 /nfs/dbraw/zinc/32/08/93/204320893.db2.gz QAMCPXMAPJTWIG-UHFFFAOYSA-N -1 1 396.512 4.741 50 0 GJAAMM O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccc([O-])cc1 ZINC000009868812 204326185 /nfs/dbraw/zinc/32/61/85/204326185.db2.gz AZYRGKZXXGNSEY-UHFFFAOYSA-N -1 1 399.475 4.886 50 0 GJAAMM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c(C)c2)on1 ZINC000064979613 205205069 /nfs/dbraw/zinc/20/50/69/205205069.db2.gz PFDURBCXVFMVRG-UHFFFAOYSA-N -1 1 396.390 4.778 50 0 GJAAMM CSc1cccc(NC(=O)[C@@H](C)n2c(=S)[n-]nc2-c2cccs2)c1 ZINC000065564190 205238418 /nfs/dbraw/zinc/23/84/18/205238418.db2.gz YGPPABAWZTXSFD-SNVBAGLBSA-N -1 1 376.532 4.591 50 0 GJAAMM Cc1ccc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2ccc(C)cc2C)nc1 ZINC000067294253 205245700 /nfs/dbraw/zinc/24/57/00/205245700.db2.gz FJAITOMZFNODLO-LCUIJRPUSA-N -1 1 399.450 4.943 50 0 GJAAMM CCc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2cccc(C)n2)cc1 ZINC000067297829 205246083 /nfs/dbraw/zinc/24/60/83/205246083.db2.gz NKOMDJSOWVPCLM-LCUIJRPUSA-N -1 1 399.450 4.889 50 0 GJAAMM O=c1[n-]n(C2CCCCC2)c2c1[C@H](c1ccc(F)c(F)c1F)SCC(=O)N2 ZINC000095472630 211247198 /nfs/dbraw/zinc/24/71/98/211247198.db2.gz YSCHHXWBMIBSET-INIZCTEOSA-N -1 1 397.422 4.523 50 0 GJAAMM COC(=O)c1ccc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCCC2)cc1 ZINC000085412334 211176211 /nfs/dbraw/zinc/17/62/11/211176211.db2.gz GSNTXWRFGBKUIG-GOSISDBHSA-N -1 1 399.516 4.744 50 0 GJAAMM CCCc1n[n-]c(=S)n1CC(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000012554031 221206203 /nfs/dbraw/zinc/20/62/03/221206203.db2.gz MJGQRDJCQIWERY-UHFFFAOYSA-N -1 1 393.516 4.660 50 0 GJAAMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c1 ZINC000000674133 570216042 /nfs/dbraw/zinc/21/60/42/570216042.db2.gz PSLLKQLPQDCCLQ-UHFFFAOYSA-N -1 1 394.496 4.665 50 0 GJAAMM CC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccccc1)c1ccccc21 ZINC000000752145 570222086 /nfs/dbraw/zinc/22/20/86/570222086.db2.gz VITJLZVIODRFRK-UHFFFAOYSA-N -1 1 379.437 4.898 50 0 GJAAMM CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2cc(Br)c([O-])cc21 ZINC000000847309 570226434 /nfs/dbraw/zinc/22/64/34/570226434.db2.gz OYJLQCDDDVFGNN-UHFFFAOYSA-N -1 1 388.261 4.892 50 0 GJAAMM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1 ZINC000005570023 570446822 /nfs/dbraw/zinc/44/68/22/570446822.db2.gz MLPNOVLGSFRBDF-UHFFFAOYSA-N -1 1 381.078 4.557 50 0 GJAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cn4c(cccc4C)n3)c2)cc1C ZINC000001019655 570746390 /nfs/dbraw/zinc/74/63/90/570746390.db2.gz HFCQVAZNSAREJD-UHFFFAOYSA-N -1 1 391.496 4.727 50 0 GJAAMM O=C1C[C@@H](c2ccsc2)c2c(cc([O-])c3c(=O)c(-c4ccccc4)coc32)O1 ZINC000524730417 570764861 /nfs/dbraw/zinc/76/48/61/570764861.db2.gz IPEFTJPAJTWTPK-AWEZNQCLSA-N -1 1 390.416 4.668 50 0 biogenic GJAAMM O=C1C[C@@H](c2ccsc2)c2c(cc(=O)c3c([O-])c(-c4ccccc4)coc2-3)O1 ZINC000524730417 570764862 /nfs/dbraw/zinc/76/48/62/570764862.db2.gz IPEFTJPAJTWTPK-AWEZNQCLSA-N -1 1 390.416 4.668 50 0 biogenic GJAAMM O=c1cc2c(c3occ(-c4ccccc4)c([O-])c1-3)[C@H]([C@@H]1CC=CCC1)CC(=O)O2 ZINC000524731882 570766888 /nfs/dbraw/zinc/76/68/88/570766888.db2.gz NPFREZSWVDKTAI-ZBFHGGJFSA-N -1 1 388.419 4.915 50 0 biogenic GJAAMM Cc1ccc([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)ccc2C)cc1 ZINC000033173467 570837494 /nfs/dbraw/zinc/83/74/94/570837494.db2.gz UWYXPBLEOQAEJF-UHFFFAOYSA-N -1 1 396.390 4.778 50 0 GJAAMM CCOc1ccc([N-]S(=O)(=O)c2cc(-c3nc(C)cs3)sc2C)cc1 ZINC000033289959 570960895 /nfs/dbraw/zinc/96/08/95/570960895.db2.gz RFXRMFJVJIJJJP-UHFFFAOYSA-N -1 1 394.543 4.688 50 0 GJAAMM CCCc1cc(=O)[n-]c(Sc2c(=O)[nH]c3ccccc3c2-c2ccccc2)n1 ZINC000018058849 210212862 /nfs/dbraw/zinc/21/28/62/210212862.db2.gz SCHPTPUHQYHHGZ-UHFFFAOYSA-N -1 1 389.480 4.794 50 0 GJAAMM CC[C@@H](C)c1ccccc1OCCOc1ccccc1C=C1SC(=O)[N-]C1=O ZINC000015800676 210171686 /nfs/dbraw/zinc/17/16/86/210171686.db2.gz IPCAXYWQDGSHET-KWPCUBQOSA-N -1 1 397.496 4.982 50 0 GJAAMM O=C1CCCc2oc3ccc([N-]S(=O)(=O)c4cccc5ccccc54)cc3c21 ZINC000000950312 209281974 /nfs/dbraw/zinc/28/19/74/209281974.db2.gz VNYNFCCPJRJAKB-UHFFFAOYSA-N -1 1 391.448 4.906 50 0 GJAAMM CSc1nc2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2s1 ZINC000033298808 204957188 /nfs/dbraw/zinc/95/71/88/204957188.db2.gz YIGBNQROJHEKBF-UHFFFAOYSA-N -1 1 388.898 4.612 50 0 GJAAMM Nc1nc(SCc2ccc(Cl)cc2Cl)[n-]c(=O)c1-c1ccccc1 ZINC000096295114 211331252 /nfs/dbraw/zinc/33/12/52/211331252.db2.gz KRCAADJUVYKUAR-UHFFFAOYSA-N -1 1 378.284 4.618 50 0 GJAAMM Cc1ncc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)c2)o1 ZINC000021032669 210374095 /nfs/dbraw/zinc/37/40/95/210374095.db2.gz AWYLIXBWCUVGGU-UHFFFAOYSA-N -1 1 376.865 4.721 50 0 GJAAMM CC(C)n1nccc1-c1csc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c1 ZINC000065112523 222100493 /nfs/dbraw/zinc/10/04/93/222100493.db2.gz MOCVHIUUTKYEAU-UHFFFAOYSA-N -1 1 399.900 4.786 50 0 GJAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3cn4ccccc4n3)cc2)cc1C ZINC000000629471 570211714 /nfs/dbraw/zinc/21/17/14/570211714.db2.gz MOKAIMJALHTMMQ-UHFFFAOYSA-N -1 1 391.496 4.727 50 0 GJAAMM CC1(C)Cc2oc3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3c2C(=O)C1 ZINC000000752704 570221960 /nfs/dbraw/zinc/22/19/60/570221960.db2.gz NZYJBUDOIACQKD-UHFFFAOYSA-N -1 1 387.432 4.528 50 0 GJAAMM Cc1ccc2nc(S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)[O-])[nH]c2c1 ZINC000001453213 570226697 /nfs/dbraw/zinc/22/66/97/570226697.db2.gz GPIXLZMBKNGRSR-HNNXBMFYSA-N -1 1 381.284 4.966 50 0 GJAAMM Cc1cccn2cc(-c3cccc([N-]S(=O)(=O)c4ccc(Cl)cc4)c3)nc12 ZINC000001129447 570245032 /nfs/dbraw/zinc/24/50/32/570245032.db2.gz KUNPFWQSVRNGOA-UHFFFAOYSA-N -1 1 397.887 4.764 50 0 GJAAMM CC[C@H](C)n1[n-]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc(Cl)cc1Cl ZINC000005908149 570461643 /nfs/dbraw/zinc/46/16/43/570461643.db2.gz BUWZYNWNUYYWDY-RMLUDKJBSA-N -1 1 386.304 4.641 50 0 GJAAMM CS(=O)(=O)c1nc2cc(Oc3cccc(Cl)c3Cl)c(Cl)cc2[n-]1 ZINC000038558341 570580817 /nfs/dbraw/zinc/58/08/17/570580817.db2.gz ZEIHWBIRYIXBSV-UHFFFAOYSA-N -1 1 391.663 4.719 50 0 GJAAMM Cc1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N2CCCCC2)c1 ZINC000013057891 570744072 /nfs/dbraw/zinc/74/40/72/570744072.db2.gz CTQAAAPAKQGARC-UHFFFAOYSA-N -1 1 398.450 4.805 50 0 GJAAMM Cc1cc([N-]S(=O)(=O)c2ccccc2)ccc1-c1cc2ccccc2oc1=O ZINC000001084449 570751703 /nfs/dbraw/zinc/75/17/03/570751703.db2.gz XWSJTNRETBEMTG-UHFFFAOYSA-N -1 1 391.448 4.569 50 0 GJAAMM COc1ccccc1-c1coc2c(c([O-])cc3c2[C@@H](CC(C)C)CC(=O)O3)c1=O ZINC000524730221 570764571 /nfs/dbraw/zinc/76/45/71/570764571.db2.gz ACGZFZYCSSJNMY-ZDUSSCGKSA-N -1 1 394.423 4.613 50 0 biogenic GJAAMM COc1ccccc1-c1coc2c3c(cc(=O)c-2c1[O-])OC(=O)C[C@@H]3CC(C)C ZINC000524730221 570764573 /nfs/dbraw/zinc/76/45/73/570764573.db2.gz ACGZFZYCSSJNMY-ZDUSSCGKSA-N -1 1 394.423 4.613 50 0 biogenic GJAAMM COc1ccccc1-c1coc2c(c([O-])cc3c2[C@H](CC(C)C)CC(=O)O3)c1=O ZINC000524730220 570764714 /nfs/dbraw/zinc/76/47/14/570764714.db2.gz ACGZFZYCSSJNMY-CYBMUJFWSA-N -1 1 394.423 4.613 50 0 biogenic GJAAMM COc1ccccc1-c1coc2c3c(cc(=O)c-2c1[O-])OC(=O)C[C@H]3CC(C)C ZINC000524730220 570764718 /nfs/dbraw/zinc/76/47/18/570764718.db2.gz ACGZFZYCSSJNMY-CYBMUJFWSA-N -1 1 394.423 4.613 50 0 biogenic GJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2[C@H](O)c2ccc(Cl)cc2)cc1 ZINC000004529507 570844706 /nfs/dbraw/zinc/84/47/06/570844706.db2.gz DMCJEIBPWYWWES-HXUWFJFHSA-N -1 1 387.888 4.531 50 0 GJAAMM Cc1ccc(-c2nc3ccc(Cl)cn3c2NC(=O)c2ccccc2[O-])cc1 ZINC000016753109 570932678 /nfs/dbraw/zinc/93/26/78/570932678.db2.gz NDHLVWUMAGGTAW-UHFFFAOYSA-N -1 1 377.831 4.921 50 0 GJAAMM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccccc3C)c(C)s2)sc1C ZINC000033290057 570960884 /nfs/dbraw/zinc/96/08/84/570960884.db2.gz GMXOHWKUTLMSGQ-UHFFFAOYSA-N -1 1 378.544 4.906 50 0 GJAAMM CCSc1nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)cc2s1 ZINC000033298865 570962915 /nfs/dbraw/zinc/96/29/15/570962915.db2.gz STCBCESXGHWOPR-UHFFFAOYSA-N -1 1 390.555 4.698 50 0 GJAAMM CCSc1nc2ccc([N-]S(=O)(=O)c3cc(C)cc(C)c3)cc2s1 ZINC000033298862 570963051 /nfs/dbraw/zinc/96/30/51/570963051.db2.gz NLNREHYSJBXAEE-UHFFFAOYSA-N -1 1 378.544 4.826 50 0 GJAAMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SCc2ccccc2)cc1 ZINC000007709851 571019330 /nfs/dbraw/zinc/01/93/30/571019330.db2.gz OMGYDLUIAGCUAM-UHFFFAOYSA-N -1 1 385.510 4.788 50 0 GJAAMM Cc1oc(-c2ccc(Cl)cc2)nc1CSc1nc2c(c(=O)[n-]1)CCCC2 ZINC000016840793 210199313 /nfs/dbraw/zinc/19/93/13/210199313.db2.gz WYSSLSZPUYDASR-UHFFFAOYSA-N -1 1 387.892 4.970 50 0 GJAAMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)c2ccccc12 ZINC000016780641 210197498 /nfs/dbraw/zinc/19/74/98/210197498.db2.gz BONRUJNEZZVDTQ-UHFFFAOYSA-N -1 1 385.485 4.828 50 0 GJAAMM CCSc1nnc2c(n1)O[C@@H](c1ccc([O-])c(Cl)c1)Nc1ccccc1-2 ZINC000000683738 209258827 /nfs/dbraw/zinc/25/88/27/209258827.db2.gz BNHAHSQCBJDNGF-INIZCTEOSA-N -1 1 386.864 4.513 50 0 GJAAMM S=c1[n-]nc2c3c4c(sc3nc(SCc3ccccc3)n12)CCCC4 ZINC000006104880 204165099 /nfs/dbraw/zinc/16/50/99/204165099.db2.gz WWTDWSGRMWRRJZ-UHFFFAOYSA-N -1 1 384.555 4.799 50 0 GJAAMM O=C([O-])c1c(CNCc2ccco2)c2ccccc2n1Cc1ccccc1Cl ZINC000006803685 204208088 /nfs/dbraw/zinc/20/80/88/204208088.db2.gz ABQJAGPGNLUSNJ-UHFFFAOYSA-N -1 1 394.858 4.924 50 0 GJAAMM CC(C)(C)c1ccc(OCCSc2nc(-c3ccccc3)cc(=O)[n-]2)cc1 ZINC000006212885 204171210 /nfs/dbraw/zinc/17/12/10/204171210.db2.gz SOFIZJSOCYSXNE-UHFFFAOYSA-N -1 1 380.513 4.906 50 0 GJAAMM CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000009269074 204306316 /nfs/dbraw/zinc/30/63/16/204306316.db2.gz KAWVDMTZNXGQDJ-UHFFFAOYSA-N -1 1 394.855 4.806 50 0 GJAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)cc1 ZINC000048302654 205118359 /nfs/dbraw/zinc/11/83/59/205118359.db2.gz SUYPSYYBMYADJK-UHFFFAOYSA-N -1 1 386.439 4.759 50 0 GJAAMM Cc1ccc(NC(=O)[C@H](C)n2c(=S)[n-]nc2-c2cccs2)cc1Cl ZINC000064334328 205188697 /nfs/dbraw/zinc/18/86/97/205188697.db2.gz QCTVWDVZHNYKFE-JTQLQIEISA-N -1 1 378.910 4.831 50 0 GJAAMM O=C(NCc1ccco1)c1cc2ccc([O-])cc2o/c1=N\c1ccc(Cl)cc1 ZINC000067299260 205245153 /nfs/dbraw/zinc/24/51/53/205245153.db2.gz FFFWQXBLESMRGH-FLFQWRMESA-N -1 1 394.814 4.547 50 0 GJAAMM Cc1ccc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2cc(C)cc(C)c2)nc1 ZINC000067294228 211006950 /nfs/dbraw/zinc/00/69/50/211006950.db2.gz VVCFUDIWJXEWMA-LCUIJRPUSA-N -1 1 399.450 4.943 50 0 GJAAMM Cc1ccc(C(=O)NC(=S)Nc2cc(C(C)(C)C)cc(Cl)c2[O-])cc1 ZINC000001180129 570254909 /nfs/dbraw/zinc/25/49/09/570254909.db2.gz QVERHLOHHLNXMU-UHFFFAOYSA-N -1 1 376.909 4.778 50 0 GJAAMM CC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc21 ZINC000001234473 570259592 /nfs/dbraw/zinc/25/95/92/570259592.db2.gz BHRFLJHKYPUOJM-UHFFFAOYSA-N -1 1 379.437 4.898 50 0 GJAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Nc2ccc(C)cc2)cc1 ZINC000024101391 570378838 /nfs/dbraw/zinc/37/88/38/570378838.db2.gz CFRUNZDOJJEVDC-UHFFFAOYSA-N -1 1 380.469 4.742 50 0 GJAAMM Cc1ccc(Cl)cc1NC(=O)[C@@H](C)n1c(=S)[n-]nc1-c1cccs1 ZINC000064334594 570426944 /nfs/dbraw/zinc/42/69/44/570426944.db2.gz NZFCWHQILKCGKU-SNVBAGLBSA-N -1 1 378.910 4.831 50 0 GJAAMM Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2cc(F)ccc2F)c1C ZINC000064845662 570565711 /nfs/dbraw/zinc/56/57/11/570565711.db2.gz KWOKNHLWJBCWAY-UHFFFAOYSA-N -1 1 398.456 4.716 50 0 GJAAMM CC(C)CN1C(=S)SC(C)(C)[C@H]1N([O-])C(=O)Nc1ccc(Cl)cc1 ZINC000000850730 570662617 /nfs/dbraw/zinc/66/26/17/570662617.db2.gz FADCHELRHXUPDF-CYBMUJFWSA-N -1 1 387.958 4.658 50 0 GJAAMM COc1ccc(S(=O)(=O)[N-]c2cc3c4c(oc3c(Cl)c2)CCCC4)cc1 ZINC000000940636 570731580 /nfs/dbraw/zinc/73/15/80/570731580.db2.gz QCXUDVUWQYQBFR-UHFFFAOYSA-N -1 1 391.876 4.774 50 0 GJAAMM Cc1ccc(NC(=O)[C@@H](C)n2c(=S)[n-]nc2-c2cccs2)c(Cl)c1 ZINC000065474639 570823011 /nfs/dbraw/zinc/82/30/11/570823011.db2.gz GVLFOKPQDMUYKJ-SNVBAGLBSA-N -1 1 378.910 4.831 50 0 GJAAMM CCSc1nc2ccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)cc2s1 ZINC000033298863 570963078 /nfs/dbraw/zinc/96/30/78/570963078.db2.gz CITOKKBIMSWDOS-UHFFFAOYSA-N -1 1 382.507 4.657 50 0 GJAAMM CC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(F)cc1)cc2Cl ZINC000016807646 210197444 /nfs/dbraw/zinc/19/74/44/210197444.db2.gz LUTACKBMRAOFNV-UHFFFAOYSA-N -1 1 381.812 4.537 50 0 GJAAMM Cc1cccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NCc2ccco2)c1C ZINC000013426965 210061743 /nfs/dbraw/zinc/06/17/43/210061743.db2.gz UMNKTLBPMNCGQK-BZZOAKBMSA-N -1 1 388.423 4.511 50 0 GJAAMM CC(C)c1ccc(-c2nnc([N-]C(=O)c3ccc(Br)o3)s2)cc1 ZINC000012809026 210013584 /nfs/dbraw/zinc/01/35/84/210013584.db2.gz QPOHDLQMKMIFNJ-UHFFFAOYSA-N -1 1 392.278 4.936 50 0 GJAAMM Cn1c(-c2oc3nc(-c4ccccc4)cc(-c4ccco4)c3c2N)n[n-]c1=S ZINC000001035488 209290944 /nfs/dbraw/zinc/29/09/44/209290944.db2.gz XNWFZEWKFLIHAG-UHFFFAOYSA-N -1 1 389.440 4.795 50 0 GJAAMM Cc1ccc(OCC(=O)Nc2ccc([O-])c(-c3nc4cc(C)ccc4o3)c2)cc1 ZINC000003770754 204019870 /nfs/dbraw/zinc/01/98/70/204019870.db2.gz AFBHTDBIDFYBCS-UHFFFAOYSA-N -1 1 388.423 4.835 50 0 GJAAMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008038065 204259325 /nfs/dbraw/zinc/25/93/25/204259325.db2.gz WZAJSQYKCFYCRZ-HXUWFJFHSA-N -1 1 389.451 4.684 50 0 GJAAMM O=S(=O)([N-]c1ccccc1Cl)c1ccc(-c2nnc(C3CCC3)o2)s1 ZINC000064920620 205201069 /nfs/dbraw/zinc/20/10/69/205201069.db2.gz WOSHXNUGDLMZBB-UHFFFAOYSA-N -1 1 395.893 4.520 50 0 GJAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1NC(=O)CCC(C)C ZINC000013020196 205884330 /nfs/dbraw/zinc/88/43/30/205884330.db2.gz AGSHTDVALDEGSG-UHFFFAOYSA-N -1 1 394.924 4.824 50 0 GJAAMM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2ccccc2Cl)S1 ZINC000096116844 211302432 /nfs/dbraw/zinc/30/24/32/211302432.db2.gz VCZGQXWNGDKBLT-BLLLJJGKSA-N -1 1 391.924 4.846 50 0 GJAAMM O=C1CS[C@H](c2ccc([O-])c(Cl)c2)c2cnn(Cc3ccccc3)c2N1 ZINC000095473672 211247250 /nfs/dbraw/zinc/24/72/50/211247250.db2.gz DTNCYVVUGMTJDM-GOSISDBHSA-N -1 1 385.876 4.715 50 0 GJAAMM O=C(c1ccc2cccnc2c1[O-])N1CCC[C@@H](CCc2ccccc2F)C1 ZINC000071752155 211056096 /nfs/dbraw/zinc/05/60/96/211056096.db2.gz ASSOEBDSZUQOQL-INIZCTEOSA-N -1 1 378.447 4.565 50 0 GJAAMM Cc1ccc(C)c(/N=c2\oc3cc([O-])ccc3cc2C(=O)NCc2ccco2)c1 ZINC000067299187 211008868 /nfs/dbraw/zinc/00/88/68/211008868.db2.gz MQKRJZMMWGKYPZ-BZZOAKBMSA-N -1 1 388.423 4.511 50 0 GJAAMM Cc1ccc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2ccccc2C)nc1 ZINC000067294214 211006273 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O=S(=O)([N-]c1cccc(-c2cn3ccccc3n2)c1)c1ccc2ccccc2c1 ZINC000006133812 570276085 /nfs/dbraw/zinc/27/60/85/570276085.db2.gz IXPUGJOWZJNJMV-UHFFFAOYSA-N -1 1 399.475 4.955 50 0 GJAAMM CCCCc1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)cc1 ZINC000002184757 570277790 /nfs/dbraw/zinc/27/77/90/570277790.db2.gz JPWASJCSEDYSDE-UHFFFAOYSA-N -1 1 380.469 4.549 50 0 GJAAMM Cc1cc([O-])c(C2=Nc3ccccc3S[C@@H](c3cccc(O)c3)C2)c(=O)o1 ZINC000137819343 570398075 /nfs/dbraw/zinc/39/80/75/570398075.db2.gz QAGPYVBZZQRHNX-LJQANCHMSA-N -1 1 379.437 4.717 50 0 GJAAMM Cc1cccn2cc(-c3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3)nc12 ZINC000000936139 570726950 /nfs/dbraw/zinc/72/69/50/570726950.db2.gz SISHHKVDSNJUQJ-UHFFFAOYSA-N -1 1 397.887 4.764 50 0 GJAAMM CC[C@H](C)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000005881937 570800974 /nfs/dbraw/zinc/80/09/74/570800974.db2.gz PLQUPJQSZBRKNV-LBPRGKRZSA-N -1 1 398.322 4.772 50 0 GJAAMM CCCc1cc(=O)[n-]c(SCc2cc(=O)oc3cc(C)c(C(C)C)cc23)n1 ZINC000012475926 570821024 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CC(C)c1ccc(S(=O)(=O)[N-]c2cc3sc(=O)oc3c3ccccc23)cc1 ZINC000000645720 203844099 /nfs/dbraw/zinc/84/40/99/203844099.db2.gz RTVLAZQWAHSVHJ-UHFFFAOYSA-N -1 1 399.493 4.932 50 0 GJAAMM Cc1ccc(-c2nc3ccccc3[nH]2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000004754917 204073630 /nfs/dbraw/zinc/07/36/30/204073630.db2.gz OKEJQPNTQDFEEN-UHFFFAOYSA-N -1 1 397.887 4.993 50 0 GJAAMM CC(=O)c1c(C)oc2cc(C)c([N-]S(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000005516098 204137196 /nfs/dbraw/zinc/13/71/96/204137196.db2.gz OIVYRAGINQETFI-UHFFFAOYSA-N -1 1 377.849 4.706 50 0 GJAAMM Cc1ccc(CNCc2c(C)n(Cc3cc(C)ccc3C)c(C)c2C(=O)[O-])o1 ZINC000009746968 204322897 /nfs/dbraw/zinc/32/28/97/204322897.db2.gz ISGYOORTWYWBMJ-UHFFFAOYSA-N -1 1 380.488 4.660 50 0 GJAAMM CC[C@H](NC(=O)Cn1c(=S)[n-]nc1-c1cccs1)c1ccc(Cl)cc1 ZINC000010423528 204334353 /nfs/dbraw/zinc/33/43/53/204334353.db2.gz QCJXFMPDVZJEKO-ZDUSSCGKSA-N -1 1 392.937 4.590 50 0 GJAAMM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)c(C)c2)on1 ZINC000064979651 205205135 /nfs/dbraw/zinc/20/51/35/205205135.db2.gz HQRVDFSGMRQOIN-UHFFFAOYSA-N -1 1 376.865 4.721 50 0 GJAAMM Cc1ccc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2cccc(C)c2C)nc1 ZINC000067294246 205245951 /nfs/dbraw/zinc/24/59/51/205245951.db2.gz BPFBBQILNUFNFO-LCUIJRPUSA-N -1 1 399.450 4.943 50 0 GJAAMM O=C1C[C@@H](c2cccs2)c2c(cc([O-])c3c(=O)cc(-c4ccccc4)oc32)O1 ZINC000096114741 206117315 /nfs/dbraw/zinc/11/73/15/206117315.db2.gz VCODUROSUJGUJD-ZDUSSCGKSA-N -1 1 390.416 4.668 50 0 biogenic GJAAMM O=C1C[C@@H](c2cccs2)c2c(cc(=O)c3c([O-])cc(-c4ccccc4)oc2-3)O1 ZINC000096114741 206117320 /nfs/dbraw/zinc/11/73/20/206117320.db2.gz VCODUROSUJGUJD-ZDUSSCGKSA-N -1 1 390.416 4.668 50 0 biogenic GJAAMM Cc1noc(-c2cc(S(=O)(=O)[N-]c3ccc(F)cc3C)c(C)s2)c1C ZINC000096323568 211334832 /nfs/dbraw/zinc/33/48/32/211334832.db2.gz OGSOJCBSSSFSSB-UHFFFAOYSA-N -1 1 380.466 4.577 50 0 GJAAMM Cc1cc(-c2cc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)c(C)s2)n[nH]1 ZINC000096341456 211336846 /nfs/dbraw/zinc/33/68/46/211336846.db2.gz GZTRRHODRQSXSC-UHFFFAOYSA-N -1 1 375.519 4.679 50 0 GJAAMM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@H](c2ccccc2Cl)S1 ZINC000096116842 211302128 /nfs/dbraw/zinc/30/21/28/211302128.db2.gz VCZGQXWNGDKBLT-LRDDRELGSA-N -1 1 391.924 4.846 50 0 GJAAMM Cc1cccc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2ccccc2C)n1 ZINC000067297797 211006158 /nfs/dbraw/zinc/00/61/58/211006158.db2.gz MFQRFALQBDHABI-BZZOAKBMSA-N -1 1 385.423 4.635 50 0 GJAAMM CCCCCn1c([O-])c(C(=O)Nc2ccc(Cl)cc2)c(=O)c2ccccc21 ZINC000002588013 570291545 /nfs/dbraw/zinc/29/15/45/570291545.db2.gz AQESREBWWHWMKM-UHFFFAOYSA-N -1 1 384.863 4.803 50 0 GJAAMM Cc1csc(-c2cc(S(=O)(=O)[N-]c3cccc(C)c3C)c(C)s2)n1 ZINC000033289953 570406032 /nfs/dbraw/zinc/40/60/32/570406032.db2.gz VRTFJDMNVSYKND-UHFFFAOYSA-N -1 1 378.544 4.906 50 0 GJAAMM Cc1cc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c(C)c1 ZINC000006269214 570474820 /nfs/dbraw/zinc/47/48/20/570474820.db2.gz KQTPYMPXLXGELR-UHFFFAOYSA-N -1 1 394.496 4.665 50 0 GJAAMM CCOc1ccc(NC(=O)c2c[n-]c3c(cccc3C(F)(F)F)c2=O)cc1 ZINC000012421858 570673232 /nfs/dbraw/zinc/67/32/32/570673232.db2.gz KMUWIRAFWNILON-UHFFFAOYSA-N -1 1 376.334 4.610 50 0 GJAAMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cccc3c2CCCC3)c1 ZINC000012734555 570977334 /nfs/dbraw/zinc/97/73/34/570977334.db2.gz XEPODCLHEXOYNV-UHFFFAOYSA-N -1 1 392.528 4.824 50 0 GJAAMM Cc1ccc(Nc2nc(CSc3nc4ccccc4s3)cc(=O)[n-]2)cc1 ZINC000018180252 210215925 /nfs/dbraw/zinc/21/59/25/210215925.db2.gz NJLRKGMVDZGDKU-UHFFFAOYSA-N -1 1 380.498 4.724 50 0 GJAAMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cc(C(C)(C)C)ccc2O)cc1 ZINC000017361122 210209344 /nfs/dbraw/zinc/20/93/44/210209344.db2.gz BUUUFACPTAXLHG-UHFFFAOYSA-N -1 1 396.516 4.558 50 0 GJAAMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@H](CC(C)C)c2ccccc2)c1 ZINC000014198853 210109548 /nfs/dbraw/zinc/10/95/48/210109548.db2.gz WCOLQSBUANMVPL-LJQANCHMSA-N -1 1 394.544 4.820 50 0 GJAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc3sc(=O)oc3c3ccccc23)cc1C ZINC000000944464 209282398 /nfs/dbraw/zinc/28/23/98/209282398.db2.gz GRWYCFWUPOWDPS-UHFFFAOYSA-N -1 1 399.493 4.734 50 0 GJAAMM CCCCn1c([O-])c(C(=O)Nc2ccc(OCCC)cc2)c(=O)c2ccccc21 ZINC000005737733 204148634 /nfs/dbraw/zinc/14/86/34/204148634.db2.gz QTWKHFBYQFOTHH-UHFFFAOYSA-N -1 1 394.471 4.548 50 0 GJAAMM CSc1nc(-c2ccc(Cl)cc2)cn1[N-]C(=S)NCc1ccccc1 ZINC000008706579 204284546 /nfs/dbraw/zinc/28/45/46/204284546.db2.gz MYJXDXZJAMCFTL-UHFFFAOYSA-N -1 1 388.949 4.544 50 0 GJAAMM CCc1ccc([N-]S(=O)(=O)c2cc(-c3csc(C)n3)sc2C)cc1 ZINC000065138149 205213191 /nfs/dbraw/zinc/21/31/91/205213191.db2.gz HGGWTHUDYXWMGQ-UHFFFAOYSA-N -1 1 378.544 4.852 50 0 GJAAMM Cc1noc(C)c1-c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1 ZINC000064837641 205196991 /nfs/dbraw/zinc/19/69/91/205196991.db2.gz ZYEPEQYHQWMAGZ-UHFFFAOYSA-N -1 1 376.865 4.721 50 0 GJAAMM Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccccc2F)c1C ZINC000064845737 205197787 /nfs/dbraw/zinc/19/77/87/205197787.db2.gz YKBDFJABWSSHMJ-UHFFFAOYSA-N -1 1 380.466 4.577 50 0 GJAAMM O=S(=O)([N-]c1cccc2c1CCCC2)c1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000021033859 210375458 /nfs/dbraw/zinc/37/54/58/210375458.db2.gz OMRJDHROUNRKPH-UHFFFAOYSA-N -1 1 394.496 4.899 50 0 GJAAMM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(-c2onc(C)c2C)ccc1C ZINC000020580596 210348768 /nfs/dbraw/zinc/34/87/68/210348768.db2.gz FOMFZASPQACVPG-UHFFFAOYSA-N -1 1 384.501 4.938 50 0 GJAAMM CC(C)Oc1ccc(C(=O)Nc2ccc([O-])c(-c3nc4ncccc4o3)c2)cc1 ZINC000019945474 570233128 /nfs/dbraw/zinc/23/31/28/570233128.db2.gz NPHDNCRPXJZXEN-UHFFFAOYSA-N -1 1 389.411 4.635 50 0 GJAAMM Cc1ccccc1NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000020418883 570255091 /nfs/dbraw/zinc/25/50/91/570255091.db2.gz ZCTVVRVEDBGCSZ-UHFFFAOYSA-N -1 1 397.525 4.605 50 0 GJAAMM O=C1[N-]C(=O)C(=Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)S1 ZINC000002999170 570325215 /nfs/dbraw/zinc/32/52/15/570325215.db2.gz VQECXPFFIAFNRX-OVCLIPMQSA-N -1 1 380.252 4.896 50 0 GJAAMM [O-]c1cc(O)ccc1-c1nc(-c2ccc(Cl)cc2)nnc1-c1ccccc1 ZINC000005775475 570358783 /nfs/dbraw/zinc/35/87/83/570358783.db2.gz MQQCFYFXOZGTOT-UHFFFAOYSA-N -1 1 375.815 4.937 50 0 GJAAMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)cs1 ZINC000006587090 570484396 /nfs/dbraw/zinc/48/43/96/570484396.db2.gz DXGYTPMNLZEGLK-UHFFFAOYSA-N -1 1 398.431 4.938 50 0 GJAAMM Cc1noc(C)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000064837462 570559015 /nfs/dbraw/zinc/55/90/15/570559015.db2.gz UGZJMSVKXJNNSN-UHFFFAOYSA-N -1 1 376.865 4.721 50 0 GJAAMM Cc1noc(C)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1 ZINC000064837578 570559904 /nfs/dbraw/zinc/55/99/04/570559904.db2.gz WBQWDBNXSZWVIZ-UHFFFAOYSA-N -1 1 394.855 4.860 50 0 GJAAMM CCOc1cccc2c1Oc1nc(-c3cccc(OC(C)C)c3)[n-]c(=O)c1C2 ZINC000006748555 570567622 /nfs/dbraw/zinc/56/76/22/570567622.db2.gz FGXOVIZDCGDDFX-UHFFFAOYSA-N -1 1 378.428 4.732 50 0 GJAAMM Cc1ccc(COc2ccc(-c3nc(N)ncc3-c3ccccc3)c([O-])c2)cc1 ZINC000006757431 570574412 /nfs/dbraw/zinc/57/44/12/570574412.db2.gz BFBVWGYYERPNHG-UHFFFAOYSA-N -1 1 383.451 4.986 50 0 GJAAMM Cc1ccc(C)c(Cn2c3ccccc3c(CNCc3ccco3)c2C(=O)[O-])c1 ZINC000006803247 570605175 /nfs/dbraw/zinc/60/51/75/570605175.db2.gz ICJUFQHQSBGPAZ-UHFFFAOYSA-N -1 1 388.467 4.887 50 0 GJAAMM O=S(=O)([N-]c1ccc(F)cc1Cl)c1ccc(-c2cnc(C3CC3)o2)s1 ZINC000065004180 570644477 /nfs/dbraw/zinc/64/44/77/570644477.db2.gz QEWQZDGARZVWJS-UHFFFAOYSA-N -1 1 398.868 4.874 50 0 GJAAMM COc1ccc(C=C2SC(=S)[N-]C2=O)cc1COc1ccc(F)cc1 ZINC000000998387 570744193 /nfs/dbraw/zinc/74/41/93/570744193.db2.gz TZOPNSOSZCNGPA-CXUHLZMHSA-N -1 1 375.446 4.742 50 0 GJAAMM Cc1ccc(C)c([C@@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)c1 ZINC000021784296 570745081 /nfs/dbraw/zinc/74/50/81/570745081.db2.gz NJJIKRHDCFXZJD-KRWDZBQOSA-N -1 1 391.496 4.565 50 0 GJAAMM Cc1ccc(C)c([C@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)c1 ZINC000021784300 570745178 /nfs/dbraw/zinc/74/51/78/570745178.db2.gz NJJIKRHDCFXZJD-QGZVFWFLSA-N -1 1 391.496 4.565 50 0 GJAAMM O=c1cc2c(c3occ(-c4ccccc4)c([O-])c1-3)[C@H]([C@H]1CC=CCC1)CC(=O)O2 ZINC000524731881 570766977 /nfs/dbraw/zinc/76/69/77/570766977.db2.gz NPFREZSWVDKTAI-HOCLYGCPSA-N -1 1 388.419 4.915 50 0 biogenic GJAAMM O=C(COc1ccccc1)Nc1ccc(-c2nc3ccccc3s2)c([O-])c1 ZINC000001206308 570794082 /nfs/dbraw/zinc/79/40/82/570794082.db2.gz SFUMZUUYGYESOH-UHFFFAOYSA-N -1 1 376.437 4.686 50 0 GJAAMM CC[C@@H](C)c1ccc([C@@H]2c3c(nc(N)[n-]c3=O)N=C3c4ccccc4C(=O)C32)cc1 ZINC000101660239 570828646 /nfs/dbraw/zinc/82/86/46/570828646.db2.gz PJPSDOLCUOOKLE-PXAZEXFGSA-N -1 1 398.466 4.827 50 0 GJAAMM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)(C)C)cc1Br ZINC000013135228 570833979 /nfs/dbraw/zinc/83/39/79/570833979.db2.gz WISKFMYPJQSKBJ-UHFFFAOYSA-N -1 1 398.322 4.556 50 0 GJAAMM O=C([N-]c1nnc(SCc2ccc(F)cc2)s1)c1c(F)cccc1F ZINC000014581972 570906515 /nfs/dbraw/zinc/90/65/15/570906515.db2.gz DWDJJFZPJSWOEN-UHFFFAOYSA-N -1 1 381.404 4.500 50 0 GJAAMM Cc1nc(-c2cc(S(=O)(=O)[N-]c3cccc(C)c3C)c(C)s2)cs1 ZINC000033308394 570968119 /nfs/dbraw/zinc/96/81/19/570968119.db2.gz VDXSWMODPASGHY-UHFFFAOYSA-N -1 1 378.544 4.906 50 0 GJAAMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC000002467932 209366567 /nfs/dbraw/zinc/36/65/67/209366567.db2.gz YSWFAPOUGKGLEJ-UHFFFAOYSA-N -1 1 397.887 4.993 50 0 GJAAMM O=C(Nc1ccc(-c2nc3ccccc3s2)c([O-])c1)C(Cl)(Cl)Cl ZINC000004503101 204048394 /nfs/dbraw/zinc/04/83/94/204048394.db2.gz KRIXJYWOCFNDQT-UHFFFAOYSA-N -1 1 387.675 4.978 50 0 GJAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)cc1 ZINC000006887627 204219982 /nfs/dbraw/zinc/21/99/82/204219982.db2.gz IHPMUUCVQKJESX-UHFFFAOYSA-N -1 1 384.501 4.636 50 0 GJAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cn4ccccc4n3)ccc2C)cc1C ZINC000006748121 204198926 /nfs/dbraw/zinc/19/89/26/204198926.db2.gz ICBNQBQHCCWCJG-UHFFFAOYSA-N -1 1 391.496 4.727 50 0 GJAAMM CCOc1cc(-c2n[n-]c(=S)n2CCc2ccccc2)ccc1OC(F)F ZINC000008477916 204278174 /nfs/dbraw/zinc/27/81/74/204278174.db2.gz BUZZBMXUVSXCAH-UHFFFAOYSA-N -1 1 391.443 4.850 50 0 GJAAMM C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)n1c(-c2cccs2)n[n-]c1=S ZINC000058430318 205174417 /nfs/dbraw/zinc/17/44/17/205174417.db2.gz ZLNNWEAPTBESTG-MRVPVSSYSA-N -1 1 382.873 4.661 50 0 GJAAMM CSc1ccc(NC(=O)[C@H](C)n2c(=S)[n-]nc2-c2cccs2)cc1 ZINC000058426239 205174867 /nfs/dbraw/zinc/17/48/67/205174867.db2.gz LHXCUWHVHTWZJG-JTQLQIEISA-N -1 1 376.532 4.591 50 0 GJAAMM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3Cl)s2)c1C ZINC000065031300 205207549 /nfs/dbraw/zinc/20/75/49/205207549.db2.gz UYVRVCVUBLBDHC-UHFFFAOYSA-N -1 1 382.894 4.783 50 0 GJAAMM Cc1noc(C)c1-c1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000064837706 205196757 /nfs/dbraw/zinc/19/67/57/205196757.db2.gz JHSKQNUHZVNACP-UHFFFAOYSA-N -1 1 376.865 4.721 50 0 GJAAMM O=C1C[C@H](c2ccsc2)c2c(cc([O-])c3c(=O)cc(-c4ccccc4)oc32)O1 ZINC000096114198 206117736 /nfs/dbraw/zinc/11/77/36/206117736.db2.gz XPNPKQSCYZUYBU-CQSZACIVSA-N -1 1 390.416 4.668 50 0 biogenic GJAAMM O=C1C[C@H](c2ccsc2)c2c(cc(=O)c3c([O-])cc(-c4ccccc4)oc2-3)O1 ZINC000096114198 206117737 /nfs/dbraw/zinc/11/77/37/206117737.db2.gz XPNPKQSCYZUYBU-CQSZACIVSA-N -1 1 390.416 4.668 50 0 biogenic GJAAMM O=C1C[C@H](c2cccs2)c2c(cc([O-])c3c(=O)cc(-c4ccccc4)oc32)O1 ZINC000096114742 206118569 /nfs/dbraw/zinc/11/85/69/206118569.db2.gz VCODUROSUJGUJD-CYBMUJFWSA-N -1 1 390.416 4.668 50 0 biogenic GJAAMM O=C1C[C@H](c2cccs2)c2c(cc(=O)c3c([O-])cc(-c4ccccc4)oc2-3)O1 ZINC000096114742 206118576 /nfs/dbraw/zinc/11/85/76/206118576.db2.gz VCODUROSUJGUJD-CYBMUJFWSA-N -1 1 390.416 4.668 50 0 biogenic GJAAMM O=C1CS[C@H](c2ccc([O-])c(Cl)c2)c2cnn(-c3ccccc3F)c2N1 ZINC000095479801 211248786 /nfs/dbraw/zinc/24/87/86/211248786.db2.gz BPVQSBZYEPCFFR-QGZVFWFLSA-N -1 1 389.839 4.795 50 0 GJAAMM Cc1cc(C)cc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2ccccn2)c1 ZINC000067293194 211007209 /nfs/dbraw/zinc/00/72/09/211007209.db2.gz SPRAISRKQUINEL-BZZOAKBMSA-N -1 1 385.423 4.635 50 0 GJAAMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000021033489 210375324 /nfs/dbraw/zinc/37/53/24/210375324.db2.gz PESPXXJBJDWVAL-UHFFFAOYSA-N -1 1 388.876 4.982 50 0 GJAAMM CCc1c([O-])c(Cc2ccccc2)c(=O)n(-c2nccs2)c1-c1ccccc1 ZINC000001041293 570237530 /nfs/dbraw/zinc/23/75/30/570237530.db2.gz DHYGRGNCDRODHI-UHFFFAOYSA-N -1 1 388.492 4.820 50 0 GJAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2-n2cccc2)cc1 ZINC000003997662 570353876 /nfs/dbraw/zinc/35/38/76/570353876.db2.gz AKQCKNGCQIGRTL-UHFFFAOYSA-N -1 1 380.391 4.605 50 0 GJAAMM O=S(=O)([N-]c1ccc(-c2cc3cc(F)ccc3[nH]2)cc1)c1ccc(F)cc1 ZINC000033025812 570399710 /nfs/dbraw/zinc/39/97/10/570399710.db2.gz ZHQVLOMDCRTLAL-UHFFFAOYSA-N -1 1 384.407 4.914 50 0 GJAAMM CCOc1cc(C=C2SC(=O)[N-]C2=O)ccc1OCc1ccccc1Cl ZINC000006595636 570489430 /nfs/dbraw/zinc/48/94/30/570489430.db2.gz TTWOFOXIDIIKOE-LICLKQGHSA-N -1 1 389.860 4.642 50 0 GJAAMM O=C(Nc1nc(-c2ccccc2)cs1)c1cc(Br)ccc1[O-] ZINC000000947959 570734685 /nfs/dbraw/zinc/73/46/85/570734685.db2.gz RKLOSWDETVWXDZ-UHFFFAOYSA-N -1 1 375.247 4.531 50 0 GJAAMM Cc1cccc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\Nc2ccccc2)c1 ZINC000004672525 570819514 /nfs/dbraw/zinc/81/95/14/570819514.db2.gz SGHLRPZAWDICIJ-RWEWTDSWSA-N -1 1 385.423 4.627 50 0 GJAAMM Cn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccccc3)C2)c(=O)[nH]c1=S ZINC000101495465 570825505 /nfs/dbraw/zinc/82/55/05/570825505.db2.gz ZKDJAPGKJRQZQR-INIZCTEOSA-N -1 1 395.509 4.506 50 0 GJAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000007405710 570837678 /nfs/dbraw/zinc/83/76/78/570837678.db2.gz BZMHUOYBBBBDRQ-UHFFFAOYSA-N -1 1 379.787 4.558 50 0 GJAAMM COc1cc(C(=O)N(C)C2c3ccccc3-c3ccccc32)cc(Cl)c1[O-] ZINC000097141377 570899728 /nfs/dbraw/zinc/89/97/28/570899728.db2.gz XAINVRUHQBXUCW-UHFFFAOYSA-N -1 1 379.843 4.896 50 0 GJAAMM COc1cc(C)ccc1Oc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cn1 ZINC000032915876 570927014 /nfs/dbraw/zinc/92/70/14/570927014.db2.gz CMIIOHMHRBOUKG-UHFFFAOYSA-N -1 1 398.484 4.609 50 0 GJAAMM CCOc1cc(C=C2SC(=O)[N-]C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000016956849 210199782 /nfs/dbraw/zinc/19/97/82/210199782.db2.gz RBTJFBRXFBMHAX-LICLKQGHSA-N -1 1 389.860 4.642 50 0 GJAAMM O=C1[N-]C(=O)C(=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)S1 ZINC000013551648 210066826 /nfs/dbraw/zinc/06/68/26/210066826.db2.gz XQTSESLEAASMKJ-CHHVJCJISA-N -1 1 380.252 4.896 50 0 GJAAMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000002882996 209395697 /nfs/dbraw/zinc/39/56/97/209395697.db2.gz HWIBUDOERJXOHB-UHFFFAOYSA-N -1 1 381.828 4.882 50 0 GJAAMM CCOC(=O)c1c2cc([O-])c(Br)cc2oc1-c1ccc(OC)cc1 ZINC000001242463 209317451 /nfs/dbraw/zinc/31/74/51/209317451.db2.gz DXVJHIBEXPVCDQ-UHFFFAOYSA-N -1 1 391.217 4.753 50 0 GJAAMM Cc1cc(C)cc(NC(=O)Nc2ccc(NC(=O)c3ccccc3[O-])cc2)c1 ZINC000001033931 209291201 /nfs/dbraw/zinc/29/12/01/209291201.db2.gz YNLOLPHULVLKDY-UHFFFAOYSA-N -1 1 375.428 4.905 50 0 GJAAMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2)cc1 ZINC000000674120 209257802 /nfs/dbraw/zinc/25/78/02/209257802.db2.gz FPOOQMGZHBVQJY-UHFFFAOYSA-N -1 1 394.496 4.665 50 0 GJAAMM Cc1ccc(-c2cn3ccccc3n2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000006748127 204198454 /nfs/dbraw/zinc/19/84/54/204198454.db2.gz ZWCYOVMBMJOQMV-UHFFFAOYSA-N -1 1 397.887 4.764 50 0 GJAAMM O=S(=O)([N-]c1cccc2c1CCCC2)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000006930326 204225627 /nfs/dbraw/zinc/22/56/27/204225627.db2.gz HXQQNHWYKAQGAL-UHFFFAOYSA-N -1 1 380.513 4.726 50 0 GJAAMM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc(OC(F)(F)F)cc1 ZINC000008379092 204274015 /nfs/dbraw/zinc/27/40/15/204274015.db2.gz ZMWWCYPCFKQAPD-UHFFFAOYSA-N -1 1 386.178 4.693 50 0 GJAAMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000011427274 204346300 /nfs/dbraw/zinc/34/63/00/204346300.db2.gz PNXDSENVROYFKO-UHFFFAOYSA-N -1 1 386.908 4.907 50 0 GJAAMM Cc1cccc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2cccc(C)c2C)n1 ZINC000067297837 205245043 /nfs/dbraw/zinc/24/50/43/205245043.db2.gz XCNJTQMDJYDZMW-LCUIJRPUSA-N -1 1 399.450 4.943 50 0 GJAAMM CSc1ccccc1NC(=O)[C@@H](C)n1c(=S)[n-]nc1-c1cccs1 ZINC000069514569 205276405 /nfs/dbraw/zinc/27/64/05/205276405.db2.gz XHJKKEWPFVJLQV-SNVBAGLBSA-N -1 1 376.532 4.591 50 0 GJAAMM Cc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1 ZINC000098073048 211377489 /nfs/dbraw/zinc/37/74/89/211377489.db2.gz PZCNGOYKALRYED-UHFFFAOYSA-N -1 1 394.212 4.577 50 0 GJAAMM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(-c2onc(C)c2C)sc1C ZINC000096323550 211335337 /nfs/dbraw/zinc/33/53/37/211335337.db2.gz MTUGORZRPODEPU-UHFFFAOYSA-N -1 1 390.530 5.000 50 0 GJAAMM [O-]c1ccc(Cc2nc(C3CCOCC3)nn2C2CCCCC2)cc1Cl ZINC000096138020 211307074 /nfs/dbraw/zinc/30/70/74/211307074.db2.gz PWROOPSLZICLEN-UHFFFAOYSA-N -1 1 375.900 4.627 50 0 GJAAMM O=C(c1ccc2cccnc2c1[O-])N1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000071746523 211053539 /nfs/dbraw/zinc/05/35/39/211053539.db2.gz FYRZJTPWMCJRGJ-QGZVFWFLSA-N -1 1 378.447 4.565 50 0 GJAAMM Cc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2cccc(C)n2)cc1 ZINC000067297805 211006495 /nfs/dbraw/zinc/00/64/95/211006495.db2.gz KUHGBSRYZNKODR-BZZOAKBMSA-N -1 1 385.423 4.635 50 0 GJAAMM CCc1cccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2nccs2)c1 ZINC000067298007 211006012 /nfs/dbraw/zinc/00/60/12/211006012.db2.gz XHVIUPVTRANFNE-ATJXCDBQSA-N -1 1 391.452 4.642 50 0 GJAAMM O=C(Nc1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1Cl ZINC000003196505 560188665 /nfs/dbraw/zinc/18/86/65/560188665.db2.gz IZVBONMVWLTLNT-UHFFFAOYSA-N -1 1 397.702 4.905 50 0 in-vitro GJAAMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@@H](C)c2ccccc2)c1 ZINC000012809712 570221809 /nfs/dbraw/zinc/22/18/09/570221809.db2.gz PNXYKVYKKPPNAL-INIZCTEOSA-N -1 1 380.517 4.526 50 0 GJAAMM CC1=Nc2c(c(=O)[n-]n2C2CCCCCC2)[C@H](c2ccc3c(c2)OCO3)S1 ZINC000085412048 570226326 /nfs/dbraw/zinc/22/63/26/570226326.db2.gz JDTPWIYKBAIGRB-SFHVURJKSA-N -1 1 385.489 4.687 50 0 GJAAMM O=S(=O)([N-]c1cccc(CCc2ccccn2)c1)c1ccc2ccccc2c1 ZINC000001158866 570251418 /nfs/dbraw/zinc/25/14/18/570251418.db2.gz KBBGOLVRPMQFLX-UHFFFAOYSA-N -1 1 388.492 4.821 50 0 GJAAMM Cc1cc([O-])c(C2=Nc3ccccc3S[C@@H](c3ccccc3O)C2)c(=O)o1 ZINC000137819609 570398014 /nfs/dbraw/zinc/39/80/14/570398014.db2.gz VAVQDOVUHLLCCN-LJQANCHMSA-N -1 1 379.437 4.717 50 0 GJAAMM Cc1cc([O-])c(C2=Nc3ccccc3S[C@H](c3ccccc3O)C2)c(=O)o1 ZINC000137818602 570398090 /nfs/dbraw/zinc/39/80/90/570398090.db2.gz VAVQDOVUHLLCCN-IBGZPJMESA-N -1 1 379.437 4.717 50 0 GJAAMM Cc1cc(OCCCSc2nc(-c3ccccc3)cc(=O)[n-]2)ccc1Cl ZINC000006459190 570480815 /nfs/dbraw/zinc/48/08/15/570480815.db2.gz MWCZFALDKMLSDK-UHFFFAOYSA-N -1 1 386.904 4.960 50 0 GJAAMM Cc1csc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)c(C)n2C)n1 ZINC000064668195 570514177 /nfs/dbraw/zinc/51/41/77/570514177.db2.gz VKKBDGYWGDUNAE-UHFFFAOYSA-N -1 1 395.937 4.528 50 0 GJAAMM O=S(=O)([N-]c1ccc(-c2cc3ccccc3[nH]2)cc1)c1ccc(F)c(F)c1 ZINC000033025751 570660512 /nfs/dbraw/zinc/66/05/12/570660512.db2.gz XVMOAYLSTCJHLJ-UHFFFAOYSA-N -1 1 384.407 4.914 50 0 GJAAMM Cc1noc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)c2)c1C ZINC000007005193 570736125 /nfs/dbraw/zinc/73/61/25/570736125.db2.gz IFXMFRMNRKHNKM-UHFFFAOYSA-N -1 1 394.855 4.860 50 0 GJAAMM COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)cc(Cl)c1[O-] ZINC000000980350 570742932 /nfs/dbraw/zinc/74/29/32/570742932.db2.gz BHSAWNMTODLVFC-UHFFFAOYSA-N -1 1 390.892 4.678 50 0 GJAAMM Cc1cccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2nccs2)c1C ZINC000013426963 570754820 /nfs/dbraw/zinc/75/48/20/570754820.db2.gz YRRMDNLYRXQUNA-ATJXCDBQSA-N -1 1 391.452 4.696 50 0 GJAAMM Cc1nnc(SC(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)[O-])[nH]1 ZINC000005721336 570903491 /nfs/dbraw/zinc/90/34/91/570903491.db2.gz XZIXQJWMYHVUKC-VGOFMYFVSA-N -1 1 396.255 4.898 50 0 GJAAMM Cc1nc(SC(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)[O-])n[nH]1 ZINC000005721336 570903493 /nfs/dbraw/zinc/90/34/93/570903493.db2.gz XZIXQJWMYHVUKC-VGOFMYFVSA-N -1 1 396.255 4.898 50 0 GJAAMM CSc1nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2s1 ZINC000033298809 570962458 /nfs/dbraw/zinc/96/24/58/570962458.db2.gz PSWWECNFJIMFDS-UHFFFAOYSA-N -1 1 390.555 4.698 50 0 GJAAMM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4cccc(C)c4n3)cc2)cc1 ZINC000000936137 212197207 /nfs/dbraw/zinc/19/72/07/212197207.db2.gz VTVLGAXQQYVCHE-UHFFFAOYSA-N -1 1 391.496 4.673 50 0 GJAAMM COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c([O-])c2)cc1 ZINC000000830080 212186788 /nfs/dbraw/zinc/18/67/88/212186788.db2.gz AZRFSNQXVAMFPI-UHFFFAOYSA-N -1 1 376.437 4.930 50 0 GJAAMM CCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000000687809 212175775 /nfs/dbraw/zinc/17/57/75/212175775.db2.gz HKNLXCAUGJJVAZ-UHFFFAOYSA-N -1 1 394.496 4.611 50 0 GJAAMM Cc1ncc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3C)c2)o1 ZINC000021032478 207224491 /nfs/dbraw/zinc/22/44/91/207224491.db2.gz KPLJPOJUZQCKFP-UHFFFAOYSA-N -1 1 376.865 4.721 50 0 GJAAMM Cc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000021033902 207224591 /nfs/dbraw/zinc/22/45/91/207224591.db2.gz FHJSAOSGWQNVLZ-UHFFFAOYSA-N -1 1 388.876 4.982 50 0 GJAAMM Cc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)c(C)c1 ZINC000021784217 207237007 /nfs/dbraw/zinc/23/70/07/207237007.db2.gz JXERYNLDNVXWTL-KRWDZBQOSA-N -1 1 391.496 4.565 50 0 GJAAMM Cc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)c(C)c1 ZINC000021784221 207237119 /nfs/dbraw/zinc/23/71/19/207237119.db2.gz JXERYNLDNVXWTL-QGZVFWFLSA-N -1 1 391.496 4.565 50 0 GJAAMM CC(C)Oc1cccc(C(=O)Nc2ccc(-c3nc4cnccc4o3)c([O-])c2)c1 ZINC000032094158 207390980 /nfs/dbraw/zinc/39/09/80/207390980.db2.gz KCMKHQODAUOVIT-UHFFFAOYSA-N -1 1 389.411 4.635 50 0 GJAAMM O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(-c2nc3cnccc3o2)c([O-])c1 ZINC000032102066 207391933 /nfs/dbraw/zinc/39/19/33/207391933.db2.gz VTSPUHVHPMQKBV-FPYGCLRLSA-N -1 1 391.814 4.901 50 0 GJAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccccc2Sc2cnccn2)cc1 ZINC000003997674 220670302 /nfs/dbraw/zinc/67/03/02/220670302.db2.gz XJASIVRIHLBDBJ-UHFFFAOYSA-N -1 1 399.541 4.726 50 0 GJAAMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)n1 ZINC000011443396 221115726 /nfs/dbraw/zinc/11/57/26/221115726.db2.gz BAOIDISEUPKBHB-HNNXBMFYSA-N -1 1 393.512 4.509 50 0 GJAAMM Cc1ccccc1[C@@H](C)N[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000012945582 221249228 /nfs/dbraw/zinc/24/92/28/221249228.db2.gz AJXBUIBBQLZNBW-KGLIPLIRSA-N -1 1 379.485 4.965 50 0 GJAAMM Cc1ccc2oc(-c3cc(NC(=O)COc4ccccc4C)ccc3[O-])nc2c1 ZINC000015833169 221346865 /nfs/dbraw/zinc/34/68/65/221346865.db2.gz QKUOBJJXNAHRJT-UHFFFAOYSA-N -1 1 388.423 4.835 50 0 GJAAMM CCC[C@@H]1CCCN(C(=O)CCn2c(=S)[n-]nc2-c2cccc(C)c2)CC1 ZINC000058115791 222038873 /nfs/dbraw/zinc/03/88/73/222038873.db2.gz UKBFKNJCFJIYDF-QGZVFWFLSA-N -1 1 386.565 4.735 50 0 GJAAMM CC[C@@H](C)c1ccc([C@H]2c3c(nc(N)[n-]c3=O)N=C3c4ccccc4C(=O)C32)cc1 ZINC000101660248 222474168 /nfs/dbraw/zinc/47/41/68/222474168.db2.gz PJPSDOLCUOOKLE-SJKOYZFVSA-N -1 1 398.466 4.827 50 0 GJAAMM O=c1nc(N2CCc3ccccc3C2)[n-]c2c(-c3ccccc3Cl)csc21 ZINC000048986608 570256417 /nfs/dbraw/zinc/25/64/17/570256417.db2.gz ABJDKGBVGZVFAI-UHFFFAOYSA-N -1 1 393.899 4.868 50 0 GJAAMM C[C@H](Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)C(=O)c1ccccc1 ZINC000002101130 570274524 /nfs/dbraw/zinc/27/45/24/570274524.db2.gz XGECAUJLYBOZFH-HNNXBMFYSA-N -1 1 386.403 4.816 50 0 biogenic GJAAMM C[C@H](Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)C(=O)c1ccccc1 ZINC000002101130 570274528 /nfs/dbraw/zinc/27/45/28/570274528.db2.gz XGECAUJLYBOZFH-HNNXBMFYSA-N -1 1 386.403 4.816 50 0 biogenic GJAAMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)cc1 ZINC000002875534 570314494 /nfs/dbraw/zinc/31/44/94/570314494.db2.gz LAAFTLYEYMTSTM-UHFFFAOYSA-N -1 1 392.727 4.625 50 0 GJAAMM CCCOc1ccccc1NC(=O)CCn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000022355276 570342749 /nfs/dbraw/zinc/34/27/49/570342749.db2.gz VORYPPALBNKWLC-UHFFFAOYSA-N -1 1 396.516 4.734 50 0 GJAAMM O=S(=O)([N-]c1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1ccccc1 ZINC000004501733 570379639 /nfs/dbraw/zinc/37/96/39/570379639.db2.gz HUKWTXCVDHHDGH-UHFFFAOYSA-N -1 1 384.844 4.949 50 0 GJAAMM Cc1cc([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(O)cc3)C2)c(=O)o1 ZINC000137818911 570398177 /nfs/dbraw/zinc/39/81/77/570398177.db2.gz RFOIOFLULFPGSL-LJQANCHMSA-N -1 1 379.437 4.717 50 0 GJAAMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Oc3ccccc3C)cc2)cc1 ZINC000006504811 570482385 /nfs/dbraw/zinc/48/23/85/570482385.db2.gz DIKUXHDGDVJEQH-UHFFFAOYSA-N -1 1 381.453 4.791 50 0 GJAAMM C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)n1c(-c2cccs2)n[n-]c1=S ZINC000058430315 570732952 /nfs/dbraw/zinc/73/29/52/570732952.db2.gz ZLNNWEAPTBESTG-QMMMGPOBSA-N -1 1 382.873 4.661 50 0 GJAAMM CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000007005591 570736525 /nfs/dbraw/zinc/73/65/25/570736525.db2.gz XTZAKJOQFBZKKG-UHFFFAOYSA-N -1 1 376.865 4.667 50 0 GJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3noc(C4CCCCC4)n3)cc2)cc1 ZINC000033122858 570815161 /nfs/dbraw/zinc/81/51/61/570815161.db2.gz XCRNVROBPLINIK-UHFFFAOYSA-N -1 1 397.500 4.894 50 0 GJAAMM CC(C)c1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000007417559 570838907 /nfs/dbraw/zinc/83/89/07/570838907.db2.gz MZQNUCWIHCTPJS-UHFFFAOYSA-N -1 1 386.517 4.619 50 0 GJAAMM Cc1onc(-c2ccccc2)c1C(=O)[N-]c1nnc(CCc2ccccc2)s1 ZINC000001114339 206353204 /nfs/dbraw/zinc/35/32/04/206353204.db2.gz PQPHNGDXWHWKEU-UHFFFAOYSA-N -1 1 390.468 4.539 50 0 GJAAMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@@H](C)c2ccccc2)cc1 ZINC000012795731 206940028 /nfs/dbraw/zinc/94/00/28/206940028.db2.gz FUZSKECRWSOIOH-INIZCTEOSA-N -1 1 380.517 4.526 50 0 GJAAMM Cc1ccc2oc(-c3cc(NC(=O)COc4ccc(F)cc4)ccc3[O-])nc2c1 ZINC000015833171 207064033 /nfs/dbraw/zinc/06/40/33/207064033.db2.gz IKKPWWKWHRYKKK-UHFFFAOYSA-N -1 1 392.386 4.665 50 0 GJAAMM Cc1nn(-c2ccc(Cl)cc2)c(C)c1S(=O)(=O)[N-]c1ccccc1Cl ZINC000096357183 208311009 /nfs/dbraw/zinc/31/10/09/208311009.db2.gz HIMYGXXVHAFQJQ-UHFFFAOYSA-N -1 1 396.299 4.597 50 0 GJAAMM CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1OCC ZINC000007736589 221008899 /nfs/dbraw/zinc/00/88/99/221008899.db2.gz MAKZTCKUPABDBE-UHFFFAOYSA-N -1 1 390.288 4.592 50 0 GJAAMM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)CCC2 ZINC000013058361 221259684 /nfs/dbraw/zinc/25/96/84/221259684.db2.gz ZIVNTHFDSSVVSB-UHFFFAOYSA-N -1 1 375.799 4.648 50 0 GJAAMM Cc1ccccc1NC(=O)c1cc2ccc([O-])cc2o/c1=N\Nc1ccccc1 ZINC000050011500 222002625 /nfs/dbraw/zinc/00/26/25/222002625.db2.gz CNDKOWAROTUXSG-RWEWTDSWSA-N -1 1 385.423 4.627 50 0 GJAAMM CCC[C@H]1CCCN(C(=O)CCn2c(=S)[n-]nc2-c2cccc(C)c2)CC1 ZINC000058115796 222039694 /nfs/dbraw/zinc/03/96/94/222039694.db2.gz UKBFKNJCFJIYDF-KRWDZBQOSA-N -1 1 386.565 4.735 50 0 GJAAMM Cc1cc(Cl)ccc1NC(=O)[C@H](C)n1c(=S)[n-]nc1-c1cccs1 ZINC000064335237 222070316 /nfs/dbraw/zinc/07/03/16/222070316.db2.gz QTUMFTAMUVYXMM-JTQLQIEISA-N -1 1 378.910 4.831 50 0 GJAAMM Cc1noc(C)c1-c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000064837461 222083991 /nfs/dbraw/zinc/08/39/91/222083991.db2.gz RCYMFVYTSIXHHI-UHFFFAOYSA-N -1 1 376.865 4.721 50 0 GJAAMM CCc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2nccs2)cc1 ZINC000067298013 222145000 /nfs/dbraw/zinc/14/50/00/222145000.db2.gz UIWBCVCPVLHKRL-ATJXCDBQSA-N -1 1 391.452 4.642 50 0 GJAAMM CSc1ccccc1NC(=O)[C@H](C)n1c(=S)[n-]nc1-c1cccs1 ZINC000069514567 222175012 /nfs/dbraw/zinc/17/50/12/222175012.db2.gz XHJKKEWPFVJLQV-JTQLQIEISA-N -1 1 376.532 4.591 50 0 GJAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1 ZINC000098072750 222453516 /nfs/dbraw/zinc/45/35/16/222453516.db2.gz VFMGCOLVGXZLAD-UHFFFAOYSA-N -1 1 394.212 4.577 50 0 GJAAMM O=S(=O)([N-]c1cccc(-c2cn3ccccc3n2)c1)c1cccc2ccccc21 ZINC000006079596 570236004 /nfs/dbraw/zinc/23/60/04/570236004.db2.gz LUZCBHWDVOWYPE-UHFFFAOYSA-N -1 1 399.475 4.955 50 0 GJAAMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCc1ccccc1F ZINC000033387911 570286127 /nfs/dbraw/zinc/28/61/27/570286127.db2.gz DAOSQSCQJNLLGL-SXGWCWSVSA-N -1 1 375.446 4.742 50 0 GJAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)Nc2cccc(F)c2)cc1 ZINC000002857422 570310071 /nfs/dbraw/zinc/31/00/71/570310071.db2.gz UJDAAHWAGKPLKQ-UHFFFAOYSA-N -1 1 399.447 4.579 50 0 GJAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)cc1 ZINC000006317044 570377201 /nfs/dbraw/zinc/37/72/01/570377201.db2.gz UKBCUVJPHZICKI-UHFFFAOYSA-N -1 1 394.496 4.665 50 0 GJAAMM Cc1cc2oc3c(c2cc1[N-]S(=O)(=O)c1ccccc1)C(=O)CC(C)(C)C3 ZINC000004735816 570399439 /nfs/dbraw/zinc/39/94/39/570399439.db2.gz NVJXMFRUVMWBGN-UHFFFAOYSA-N -1 1 383.469 4.697 50 0 GJAAMM CCCOc1cccc(-c2nc3c(c(=O)[n-]2)Cc2cccc(OCC)c2O3)c1 ZINC000006748537 570567401 /nfs/dbraw/zinc/56/74/01/570567401.db2.gz UMDBZDCSUGTNLA-UHFFFAOYSA-N -1 1 378.428 4.733 50 0 GJAAMM O=S(=O)([N-]c1ccc(SCc2cccnc2)cc1)c1ccc(Cl)cc1 ZINC000012585376 570880747 /nfs/dbraw/zinc/88/07/47/570880747.db2.gz GINRIFJXQMDBOU-UHFFFAOYSA-N -1 1 390.917 4.828 50 0 GJAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)Nc3ccccc3)c2)c1 ZINC000023053493 570894585 /nfs/dbraw/zinc/89/45/85/570894585.db2.gz CVBCNMGJNMRHFV-UHFFFAOYSA-N -1 1 395.484 4.748 50 0 GJAAMM Cc1csc(-c2cc(S(=O)(=O)[N-]c3ccc(C)cc3C)c(C)s2)n1 ZINC000033289975 570960732 /nfs/dbraw/zinc/96/07/32/570960732.db2.gz DPHWAXNUSYPRFF-UHFFFAOYSA-N -1 1 378.544 4.906 50 0 GJAAMM O=C(CC([O-])(C(F)(F)F)C(F)(F)F)Nc1ccc(Oc2ccccc2)cc1 ZINC000001125763 212220258 /nfs/dbraw/zinc/22/02/58/212220258.db2.gz NSLHCDUIHNYPKC-UHFFFAOYSA-N -1 1 393.283 4.663 50 0 GJAAMM COc1ccc(-c2c(-c3ccc(OC)cc3[O-])ncnc2C(F)(F)F)cc1 ZINC000002194252 206292089 /nfs/dbraw/zinc/29/20/89/206292089.db2.gz OMNIJVGGDKGXQV-UHFFFAOYSA-N -1 1 376.334 4.552 50 0 GJAAMM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3ccc4c5c(cccc53)CC4)cc2)o1 ZINC000001427387 206380916 /nfs/dbraw/zinc/38/09/16/206380916.db2.gz MEHBWCLECSPYIQ-UHFFFAOYSA-N -1 1 390.464 4.703 50 0 GJAAMM CCc1cccc([N-]S(=O)(=O)c2cc(-c3cnc(C4CC4)o3)ccc2C)c1 ZINC000021034174 207224263 /nfs/dbraw/zinc/22/42/63/207224263.db2.gz GBNFWBLHXDMHKY-UHFFFAOYSA-N -1 1 382.485 4.891 50 0 GJAAMM O=C(c1ccccc1)c1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000030835916 207375504 /nfs/dbraw/zinc/37/55/04/207375504.db2.gz RAVABGJRVOVNKO-UHFFFAOYSA-N -1 1 387.460 4.872 50 0 GJAAMM COC(=O)CSc1nc2c(c(=O)[n-]1)[C@@](C)(C1CCCCC1)Cc1ccccc1-2 ZINC000002293935 220520482 /nfs/dbraw/zinc/52/04/82/220520482.db2.gz BYSUMBFCWPJNLW-JOCHJYFZSA-N -1 1 398.528 4.508 50 0 GJAAMM O=S(=O)([N-]c1ccc(-c2nncs2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000253426056 209042017 /nfs/dbraw/zinc/04/20/17/209042017.db2.gz XNWLKPLGTRBFHP-UHFFFAOYSA-N -1 1 393.493 4.673 50 0 GJAAMM CCc1ccc([N-]S(=O)(=O)c2cc(-c3cnc(C4CC4)o3)ccc2C)cc1 ZINC000008608547 221046669 /nfs/dbraw/zinc/04/66/69/221046669.db2.gz DAYMJKUSKYBLLN-UHFFFAOYSA-N -1 1 382.485 4.891 50 0 GJAAMM Cc1ccc([N-]S(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)cc1 ZINC000009685579 221088821 /nfs/dbraw/zinc/08/88/21/221088821.db2.gz FUJHHSWZKMHHLY-UHFFFAOYSA-N -1 1 396.512 4.741 50 0 GJAAMM O=S(=O)([N-]c1cc(Cl)ccc1N1CCCC1)c1ccc2ccccc2c1 ZINC000013074371 221260250 /nfs/dbraw/zinc/26/02/50/221260250.db2.gz CQNMEXJKABVUSR-UHFFFAOYSA-N -1 1 386.904 4.894 50 0 GJAAMM CC(C)Sc1nc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2s1 ZINC000064747840 222080370 /nfs/dbraw/zinc/08/03/70/222080370.db2.gz VINMYEUCWQRFOU-UHFFFAOYSA-N -1 1 382.507 4.737 50 0 GJAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(SC(C)C)sc3c2)cc1 ZINC000064747831 222080724 /nfs/dbraw/zinc/08/07/24/222080724.db2.gz NPAAIPOIQIXUIC-UHFFFAOYSA-N -1 1 394.543 4.606 50 0 GJAAMM Cc1cccc(S(=O)(=O)[N-]c2ccc3nc(SC(C)C)sc3c2)c1 ZINC000064747845 222080955 /nfs/dbraw/zinc/08/09/55/222080955.db2.gz BZJUTAGMQVXKGZ-UHFFFAOYSA-N -1 1 378.544 4.906 50 0 GJAAMM Cc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2ccccn2)cc1C ZINC000067293192 222143231 /nfs/dbraw/zinc/14/32/31/222143231.db2.gz LJFJPPLLCDLVFE-BZZOAKBMSA-N -1 1 385.423 4.635 50 0 GJAAMM Cc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2ccccn2)c(C)c1 ZINC000067293215 222144209 /nfs/dbraw/zinc/14/42/09/222144209.db2.gz ZAIIPSPFEJYUQX-BZZOAKBMSA-N -1 1 385.423 4.635 50 0 GJAAMM CCc1ccc(-c2nc3ccc([N-]S(=O)(=O)c4ccccc4)cc3o2)cc1 ZINC000098086918 570263159 /nfs/dbraw/zinc/26/31/59/570263159.db2.gz QHPRDJQJMYCGJY-UHFFFAOYSA-N -1 1 378.453 4.858 50 0 GJAAMM CCn1c(=S)[n-]nc1-c1cccc(COc2ccccc2Br)c1 ZINC000005967888 570463411 /nfs/dbraw/zinc/46/34/11/570463411.db2.gz MNWKCOUCCCAIFD-UHFFFAOYSA-N -1 1 390.306 4.969 50 0 GJAAMM CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3cn4ccc(C)cc4n3)c2)cc1 ZINC000006143676 570469528 /nfs/dbraw/zinc/46/95/28/570469528.db2.gz MPVUPCXXEPASHN-UHFFFAOYSA-N -1 1 391.496 4.673 50 0 GJAAMM Nc1ncc(-c2ccccc2)c(-c2ccc(OCc3ccccc3F)cc2[O-])n1 ZINC000005573367 570658663 /nfs/dbraw/zinc/65/86/63/570658663.db2.gz ULXUKVNYDFMIMK-UHFFFAOYSA-N -1 1 387.414 4.817 50 0 GJAAMM Cc1nc(SCCOc2ccc(Cl)cc2)[n-]c(=O)c1Cc1ccccc1 ZINC000004626372 570703659 /nfs/dbraw/zinc/70/36/59/570703659.db2.gz OWSMUHWTSGNRAY-UHFFFAOYSA-N -1 1 386.904 4.906 50 0 GJAAMM CCc1ccc(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000032930133 570943686 /nfs/dbraw/zinc/94/36/86/570943686.db2.gz MAWIYPJCRMHYFH-UHFFFAOYSA-N -1 1 394.496 4.611 50 0 GJAAMM CCCCOc1ccc(-c2cc(C(=O)[N-]c3nnc(C(C)C)s3)no2)cc1 ZINC000046086612 571023012 /nfs/dbraw/zinc/02/30/12/571023012.db2.gz RMCJZEBXGXMUPL-UHFFFAOYSA-N -1 1 386.477 4.748 50 0 GJAAMM COc1ccc(-c2c(-c3ccc(OC)cc3[O-])nc(C)nc2C(F)(F)F)cc1 ZINC000012478190 212150464 /nfs/dbraw/zinc/15/04/64/212150464.db2.gz VFEHLPJMPAIDSP-UHFFFAOYSA-N -1 1 390.361 4.861 50 0 GJAAMM COc1ccccc1-c1cnc(N)nc1-c1ccc(OCc2ccccc2)cc1[O-] ZINC000005576222 212148664 /nfs/dbraw/zinc/14/86/64/212148664.db2.gz SDENPZLARXOFAY-UHFFFAOYSA-N -1 1 399.450 4.686 50 0 GJAAMM O=S(=O)([N-]c1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccccc1 ZINC000001208309 206368161 /nfs/dbraw/zinc/36/81/61/206368161.db2.gz QRJTUBMVYWHIMW-UHFFFAOYSA-N -1 1 384.844 4.949 50 0 GJAAMM O=C([N-]c1nnc(-c2cc(Cl)sc2Cl)o1)c1nc2ccccc2s1 ZINC000036629966 206800790 /nfs/dbraw/zinc/80/07/90/206800790.db2.gz URFLUTIHTCILLP-UHFFFAOYSA-N -1 1 397.268 4.967 50 0 GJAAMM COc1ccc2nc(N3CCCCC3)c(C=C3SC(=S)[N-]C3=O)cc2c1 ZINC000017137741 207086288 /nfs/dbraw/zinc/08/62/88/207086288.db2.gz FUEHZFLPFAUAEI-WJDWOHSUSA-N -1 1 385.514 4.563 50 0 GJAAMM CCOc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3c2)cc1[C@@H](C)CC ZINC000072414284 208018373 /nfs/dbraw/zinc/01/83/73/208018373.db2.gz COMPLGGHGVVASL-HNNXBMFYSA-N -1 1 384.501 4.948 50 0 GJAAMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)c(C)c1 ZINC000008608459 221046500 /nfs/dbraw/zinc/04/65/00/221046500.db2.gz YKWUMQLAIXOGFB-UHFFFAOYSA-N -1 1 382.485 4.945 50 0 GJAAMM CCN1c2ccc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)c3cccc(c23)C1=O ZINC000008715470 221051841 /nfs/dbraw/zinc/05/18/41/221051841.db2.gz JJAAXYHAOXAARJ-UHFFFAOYSA-N -1 1 394.496 4.546 50 0 GJAAMM CCSc1nnc([N-]C(=O)c2ccc(-c3nc4ccccc4s3)o2)s1 ZINC000012750077 221224678 /nfs/dbraw/zinc/22/46/78/221224678.db2.gz HKDIWSLVAGMTLT-UHFFFAOYSA-N -1 1 388.499 4.772 50 0 GJAAMM CCSc1nnc2c(n1)O[C@H](c1ccc([O-])c(Cl)c1)Nc1ccccc1-2 ZINC000000683737 570217500 /nfs/dbraw/zinc/21/75/00/570217500.db2.gz BNHAHSQCBJDNGF-MRXNPFEDSA-N -1 1 386.864 4.513 50 0 GJAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4CC(C)C)cc1 ZINC000085879177 570263679 /nfs/dbraw/zinc/26/36/79/570263679.db2.gz WBCQLYOJYJQDBX-CQSZACIVSA-N -1 1 394.423 4.613 50 0 biogenic GJAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4CC(C)C)cc1 ZINC000085879179 570263770 /nfs/dbraw/zinc/26/37/70/570263770.db2.gz WBCQLYOJYJQDBX-AWEZNQCLSA-N -1 1 394.423 4.613 50 0 biogenic GJAAMM Cc1cc([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(O)cc3)C2)c(=O)o1 ZINC000137817938 570398266 /nfs/dbraw/zinc/39/82/66/570398266.db2.gz RFOIOFLULFPGSL-IBGZPJMESA-N -1 1 379.437 4.717 50 0 GJAAMM CC[C@@H](C)n1[n-]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc(Cl)cc1Cl ZINC000005907650 570461619 /nfs/dbraw/zinc/46/16/19/570461619.db2.gz BUWZYNWNUYYWDY-XLKFXECMSA-N -1 1 386.304 4.641 50 0 GJAAMM CC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccccc1C)cc2Cl ZINC000000944065 570732118 /nfs/dbraw/zinc/73/21/18/570732118.db2.gz XSSLXASDMDBYIW-UHFFFAOYSA-N -1 1 377.849 4.706 50 0 GJAAMM O=c1cc2c(c3occ(-c4ccccc4)c([O-])c1-3)[C@@H]([C@H]1CC=CCC1)CC(=O)O2 ZINC000524731880 570766821 /nfs/dbraw/zinc/76/68/21/570766821.db2.gz NPFREZSWVDKTAI-GOEBONIOSA-N -1 1 388.419 4.915 50 0 biogenic GJAAMM CCCCCCc1cc2cc(C(=O)NCc3ccccc3)c(=O)oc2cc1[O-] ZINC000004675170 570821300 /nfs/dbraw/zinc/82/13/00/570821300.db2.gz SSGNICCZCPAPTB-UHFFFAOYSA-N -1 1 379.456 4.551 50 0 GJAAMM O=C(c1ccc2cccnc2c1[O-])N1CCC[C@@H](CCc2c(F)cccc2F)C1 ZINC000071765145 570851545 /nfs/dbraw/zinc/85/15/45/570851545.db2.gz ZWYHOEOGNQUMLN-HNNXBMFYSA-N -1 1 396.437 4.704 50 0 GJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3noc(C4CCCC4)n3)cc2)cc1 ZINC000033276437 570951812 /nfs/dbraw/zinc/95/18/12/570951812.db2.gz AXRRRPZUMKVFAJ-UHFFFAOYSA-N -1 1 383.473 4.503 50 0 GJAAMM Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc([O-])c(Cl)c1)SCC(=O)N2 ZINC000044920562 570983548 /nfs/dbraw/zinc/98/35/48/570983548.db2.gz XMJSFWGGGJPTPL-GOSISDBHSA-N -1 1 385.876 4.964 50 0 GJAAMM O=S(=O)([N-]c1ccc(-c2cn3ccccc3n2)cc1)c1ccc2ccccc2c1 ZINC000004815700 571094270 /nfs/dbraw/zinc/09/42/70/571094270.db2.gz IRLDPJHHJPECQF-UHFFFAOYSA-N -1 1 399.475 4.955 50 0 GJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)C(=O)CC(C)(C)C4)cc1 ZINC000002061450 212263369 /nfs/dbraw/zinc/26/33/69/212263369.db2.gz ZADCRRUYFDVAKS-UHFFFAOYSA-N -1 1 383.469 4.697 50 0 GJAAMM Cc1ccc2oc(-c3ccc(NC(=O)COc4cccc(C)c4)cc3[O-])nc2c1 ZINC000000850281 212188263 /nfs/dbraw/zinc/18/82/63/212188263.db2.gz XZMYKVFMRLZZGR-UHFFFAOYSA-N -1 1 388.423 4.835 50 0 GJAAMM Cc1cccn2cc(-c3ccc([N-]S(=O)(=O)c4ccc(C)c(C)c4)cc3)nc12 ZINC000000629575 206309847 /nfs/dbraw/zinc/30/98/47/206309847.db2.gz ONXZLQVMLORXDW-UHFFFAOYSA-N -1 1 391.496 4.727 50 0 GJAAMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c1 ZINC000000674324 206315458 /nfs/dbraw/zinc/31/54/58/206315458.db2.gz SDOHDWCFLFKRSV-UHFFFAOYSA-N -1 1 386.517 4.623 50 0 GJAAMM Cc1cccc(C)c1NC(=O)c1c([O-])n(CCC(C)C)c2ccccc2c1=O ZINC000001255549 206370229 /nfs/dbraw/zinc/37/02/29/206370229.db2.gz CTOJJURJJQACLA-UHFFFAOYSA-N -1 1 378.472 4.622 50 0 GJAAMM Cc1cc(-c2ccc(C)c(S(=O)(=O)[N-]c3cccc4c3CCCC4)c2)on1 ZINC000020580356 207205056 /nfs/dbraw/zinc/20/50/56/207205056.db2.gz NXJCRLHGGQMHLX-UHFFFAOYSA-N -1 1 382.485 4.638 50 0 GJAAMM Cc1ccc(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c(C)c1 ZINC000040106666 207341039 /nfs/dbraw/zinc/34/10/39/207341039.db2.gz IJUKBVBTIIPLCP-UHFFFAOYSA-N -1 1 394.496 4.665 50 0 GJAAMM Cc1cc(Cl)ccc1NC(=O)[C@@H](C)n1c(=S)[n-]nc1-c1cccs1 ZINC000089589071 208106683 /nfs/dbraw/zinc/10/66/83/208106683.db2.gz QTUMFTAMUVYXMM-SNVBAGLBSA-N -1 1 378.910 4.831 50 0 GJAAMM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2ccc(Cl)cc2)S1 ZINC000096117206 208263582 /nfs/dbraw/zinc/26/35/82/208263582.db2.gz NPCPRDFXJISNMZ-GDBMZVCRSA-N -1 1 391.924 4.846 50 0 GJAAMM CCc1cccc([N-]S(=O)(=O)c2cc3[nH]c4c(c3cc2CC)C(=O)CCC4)c1 ZINC000009685949 221088438 /nfs/dbraw/zinc/08/84/38/221088438.db2.gz DMYYXDBBUMHXLY-UHFFFAOYSA-N -1 1 396.512 4.613 50 0 GJAAMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)n1 ZINC000011443397 221116060 /nfs/dbraw/zinc/11/60/60/221116060.db2.gz BAOIDISEUPKBHB-OAHLLOKOSA-N -1 1 393.512 4.509 50 0 GJAAMM Cc1cc(=O)[n-]c(Sc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)n1 ZINC000018088136 221387512 /nfs/dbraw/zinc/38/75/12/221387512.db2.gz RTXFAMSFKYMVDN-UHFFFAOYSA-N -1 1 395.871 4.804 50 0 GJAAMM Cc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NCc2ccco2)cc1C ZINC000067299161 222144823 /nfs/dbraw/zinc/14/48/23/222144823.db2.gz NTGZVVALKRROBB-BZZOAKBMSA-N -1 1 388.423 4.511 50 0 GJAAMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@H](C)c2ccccc2)c1 ZINC000012809708 570221858 /nfs/dbraw/zinc/22/18/58/570221858.db2.gz PNXYKVYKKPPNAL-MRXNPFEDSA-N -1 1 380.517 4.526 50 0 GJAAMM Cc1ccc(-c2nc3cc([N-]S(=O)(=O)c4ccc(C)cc4)ccc3o2)cc1 ZINC000002501673 570288899 /nfs/dbraw/zinc/28/88/99/570288899.db2.gz HCJGZHRCDDBXLG-UHFFFAOYSA-N -1 1 378.453 4.912 50 0 aggregator GJAAMM O=S(=O)([N-]c1ccc(-c2cn3ccsc3n2)cc1)c1cccc(Cl)c1 ZINC000005084100 570413861 /nfs/dbraw/zinc/41/38/61/570413861.db2.gz DAHKEFYWXOMMRL-UHFFFAOYSA-N -1 1 389.889 4.517 50 0 GJAAMM CC[C@@H](C)n1[n-]c(=O)c2c1NC(=O)CS[C@H]2c1ccc(Cl)cc1Cl ZINC000005907645 570461687 /nfs/dbraw/zinc/46/16/87/570461687.db2.gz BUWZYNWNUYYWDY-CLAHSXSESA-N -1 1 386.304 4.641 50 0 GJAAMM Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000005237992 570524401 /nfs/dbraw/zinc/52/44/01/570524401.db2.gz MFBLGWGSPHFVCC-CYBMUJFWSA-N -1 1 399.903 4.518 50 0 GJAAMM COc1ccc(-c2nc(N)nc(C(F)(F)F)c2-c2ccc(Cl)cc2)c([O-])c1 ZINC000005563016 570649257 /nfs/dbraw/zinc/64/92/57/570649257.db2.gz HDXJSULLFXAEMT-UHFFFAOYSA-N -1 1 395.768 4.779 50 0 GJAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3cc4ccccc4[nH]3)cc2)cc1 ZINC000033025755 570660743 /nfs/dbraw/zinc/66/07/43/570660743.db2.gz UKJCRKNETDVTFJ-UHFFFAOYSA-N -1 1 390.464 4.838 50 0 GJAAMM Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc([O-])c(Cl)c1)SCC(=O)N2 ZINC000044920564 570983646 /nfs/dbraw/zinc/98/36/46/570983646.db2.gz XMJSFWGGGJPTPL-SFHVURJKSA-N -1 1 385.876 4.964 50 0 GJAAMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000000707852 212176736 /nfs/dbraw/zinc/17/67/36/212176736.db2.gz KYGBLMGIYKWMQM-UHFFFAOYSA-N -1 1 391.452 4.513 50 0 GJAAMM O=C1[N-]C(=O)C(=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)S1 ZINC000001005051 206341353 /nfs/dbraw/zinc/34/13/53/206341353.db2.gz XQTSESLEAASMKJ-VIZOYTHASA-N -1 1 380.252 4.896 50 0 GJAAMM O=S(=O)([N-]c1ccc(-c2nc3ccccc3o2)cc1)c1ccc(Cl)cc1 ZINC000001161803 206362686 /nfs/dbraw/zinc/36/26/86/206362686.db2.gz DYEZDPGQNJAKFP-UHFFFAOYSA-N -1 1 384.844 4.949 50 0 GJAAMM CN(Cc1ccc(Br)s1)C(=O)c1cc2ccccc2cc1[O-] ZINC000018107715 207092088 /nfs/dbraw/zinc/09/20/88/207092088.db2.gz LGPVVLNJASBXTM-UHFFFAOYSA-N -1 1 376.275 4.642 50 0 GJAAMM Cc1cccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000020408331 207191797 /nfs/dbraw/zinc/19/17/97/207191797.db2.gz INMWXYOZIIYNTN-UHFFFAOYSA-N -1 1 397.525 4.605 50 0 GJAAMM Cc1cc(-c2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3C)c2)on1 ZINC000020580197 207204158 /nfs/dbraw/zinc/20/41/58/207204158.db2.gz GLWZTSOOLLNAPG-UHFFFAOYSA-N -1 1 376.865 4.721 50 0 GJAAMM CCc1cccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2ccccn2)c1 ZINC000067293199 207886795 /nfs/dbraw/zinc/88/67/95/207886795.db2.gz MTSNKKZFRRCPGJ-BZZOAKBMSA-N -1 1 385.423 4.581 50 0 GJAAMM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc(Cl)cc2)S1 ZINC000096117204 208263559 /nfs/dbraw/zinc/26/35/59/208263559.db2.gz NPCPRDFXJISNMZ-ZBFHGGJFSA-N -1 1 391.924 4.846 50 0 GJAAMM Cc1cc(-c2cc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)c(C)s2)on1 ZINC000096323482 208307300 /nfs/dbraw/zinc/30/73/00/208307300.db2.gz KSAYCMQDZPOMDT-UHFFFAOYSA-N -1 1 376.503 4.944 50 0 GJAAMM CCOC(=O)c1c(C)n(-c2ccccc2C)c2cc(Br)c([O-])cc21 ZINC000096558053 208318891 /nfs/dbraw/zinc/31/88/91/208318891.db2.gz GMFIFNLQHUKCLP-UHFFFAOYSA-N -1 1 388.261 4.892 50 0 GJAAMM Cc1cccc([N-]S(=O)(=O)c2cc(-c3cnc(C4CC4)o3)ccc2C)c1C ZINC000008615080 221047572 /nfs/dbraw/zinc/04/75/72/221047572.db2.gz VWILXTYHIULEHO-UHFFFAOYSA-N -1 1 382.485 4.945 50 0 GJAAMM O=C(c1ccc2cccnc2c1[O-])N1CCC[C@H](CCc2c(F)cccc2F)C1 ZINC000071765146 222196573 /nfs/dbraw/zinc/19/65/73/222196573.db2.gz ZWYHOEOGNQUMLN-OAHLLOKOSA-N -1 1 396.437 4.704 50 0 GJAAMM CSc1cccc(NC(=O)CCn2c(=S)[n-]nc2-c2cccc(C)c2)c1 ZINC000012901194 570288209 /nfs/dbraw/zinc/28/82/09/570288209.db2.gz YHXOSPKIKGRMDB-UHFFFAOYSA-N -1 1 384.530 4.667 50 0 GJAAMM Cc1ccc(C(=O)COc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c2)cc1 ZINC000004808072 570406715 /nfs/dbraw/zinc/40/67/15/570406715.db2.gz IITHDBNSDXCEAQ-UHFFFAOYSA-N -1 1 386.403 4.736 50 0 biogenic GJAAMM Cc1ccc(C(=O)COc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c2)cc1 ZINC000004808072 570406717 /nfs/dbraw/zinc/40/67/17/570406717.db2.gz IITHDBNSDXCEAQ-UHFFFAOYSA-N -1 1 386.403 4.736 50 0 biogenic GJAAMM CC(C)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000006240196 570473449 /nfs/dbraw/zinc/47/34/49/570473449.db2.gz JLZIHKNECAVRIM-UHFFFAOYSA-N -1 1 394.496 4.863 50 0 GJAAMM Cc1ccc(-c2noc(-c3cccc(S(=O)(=O)[N-]c4ccccc4)c3)n2)cc1 ZINC000064610944 570497391 /nfs/dbraw/zinc/49/73/91/570497391.db2.gz CYUXUNFYHCROIL-UHFFFAOYSA-N -1 1 391.452 4.513 50 0 GJAAMM O=c1[n-]n(C2CCCC2)c2c1[C@H](c1ccc(Cl)cc1Cl)SCC(=O)N2 ZINC000006727453 570554216 /nfs/dbraw/zinc/55/42/16/570554216.db2.gz CYFQSEADTSEMSI-HNNXBMFYSA-N -1 1 398.315 4.785 50 0 GJAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cn4ccc(C)cc4n3)ccc2C)cc1 ZINC000006748126 570566281 /nfs/dbraw/zinc/56/62/81/570566281.db2.gz ZIUULRLXVOJUGY-UHFFFAOYSA-N -1 1 391.496 4.727 50 0 GJAAMM Cc1ccc2c(CNCc3ccco3)c(C(=O)[O-])n(Cc3ccccc3C)c2c1 ZINC000006901222 570696905 /nfs/dbraw/zinc/69/69/05/570696905.db2.gz KDRZZURKZXZTMV-UHFFFAOYSA-N -1 1 388.467 4.887 50 0 GJAAMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@H](C)c2ccccc2)cc1 ZINC000012795728 570716213 /nfs/dbraw/zinc/71/62/13/570716213.db2.gz FUZSKECRWSOIOH-MRXNPFEDSA-N -1 1 380.517 4.526 50 0 GJAAMM COc1ccc(-c2nc3c(c(=O)[n-]2)Cc2c(ccc4ccccc42)O3)cc1OC ZINC000585148658 570742527 /nfs/dbraw/zinc/74/25/27/570742527.db2.gz JLTIAXODPLJWFG-UHFFFAOYSA-N -1 1 386.407 4.716 50 0 GJAAMM Cc1ccc(-c2nc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)no2)s1 ZINC000033122831 570815261 /nfs/dbraw/zinc/81/52/61/570815261.db2.gz MMHBNUZWOITWCS-UHFFFAOYSA-N -1 1 397.481 4.574 50 0 GJAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2SCC(F)(F)F)c1 ZINC000012520945 570827487 /nfs/dbraw/zinc/82/74/87/570827487.db2.gz AHDNESKIJZDEGI-UHFFFAOYSA-N -1 1 375.437 4.759 50 0 GJAAMM O=S(=O)([N-]c1cccc(OCc2ccccn2)c1)c1ccc2ccccc2c1 ZINC000032833738 570845551 /nfs/dbraw/zinc/84/55/51/570845551.db2.gz JPZRSJOYWGMHFS-UHFFFAOYSA-N -1 1 390.464 4.615 50 0 GJAAMM COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C(C)C)ccc1OC(F)F ZINC000071287883 570888811 /nfs/dbraw/zinc/88/88/11/570888811.db2.gz IKYVWRYHXTUACE-AWEZNQCLSA-N -1 1 383.420 4.666 50 0 GJAAMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)S3)c(C)c1 ZINC000004735741 570949898 /nfs/dbraw/zinc/94/98/98/570949898.db2.gz BLGQGHBTHUQYSW-UHFFFAOYSA-N -1 1 383.494 4.812 50 0 GJAAMM CCOc1ccc(NCc2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001000380 206340928 /nfs/dbraw/zinc/34/09/28/206340928.db2.gz DIWDNCMBLVESJU-UHFFFAOYSA-N -1 1 396.512 4.807 50 0 GJAAMM Cc1cc(C([O-])(C(F)(F)F)C(F)(F)F)cc(C)c1NC(=O)c1cccs1 ZINC000001445860 206381834 /nfs/dbraw/zinc/38/18/34/206381834.db2.gz VJIZCUVPBGISET-UHFFFAOYSA-N -1 1 397.340 4.929 50 0 GJAAMM CCC[C@@H](NC(=O)CCn1c(=S)[n-]nc1-c1cccs1)c1ccccc1 ZINC000014249922 207017626 /nfs/dbraw/zinc/01/76/26/207017626.db2.gz DUWMHDBSXDEQFH-OAHLLOKOSA-N -1 1 386.546 4.717 50 0 GJAAMM Cc1cc(-c2ccc(C)c(S(=O)(=O)[N-]c3cc(Cl)ccc3C)c2)on1 ZINC000020580079 207204900 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CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3cn4c(cccc4C)n3)c2)cc1 ZINC000002502430 570544254 /nfs/dbraw/zinc/54/42/54/570544254.db2.gz DXAUHEVVZDIROD-UHFFFAOYSA-N -1 1 391.496 4.673 50 0 GJAAMM Cc1[nH]c2ccccc2c1C(=O)CSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000009698335 570560626 /nfs/dbraw/zinc/56/06/26/570560626.db2.gz VGMXNOQFYLWFJJ-UHFFFAOYSA-N -1 1 375.453 4.614 50 0 GJAAMM O=c1nc([C@@H]2CSc3ccccc3O2)[n-]c2scc(-c3ccccc3)c21 ZINC000225517455 570582624 /nfs/dbraw/zinc/58/26/24/570582624.db2.gz IVNJAEBNUCMRBA-HNNXBMFYSA-N -1 1 378.478 4.877 50 0 GJAAMM Cc1ccc(Cn2c3cc(C)ccc3c(CNCc3ccco3)c2C(=O)[O-])cc1 ZINC000006795514 570598452 /nfs/dbraw/zinc/59/84/52/570598452.db2.gz LIDZWYZDMFHUNY-UHFFFAOYSA-N -1 1 388.467 4.887 50 0 GJAAMM CC(C)Oc1ccc(C(=O)Nc2ccc(-c3nc4cnccc4o3)c([O-])c2)cc1 ZINC000036360767 570643134 /nfs/dbraw/zinc/64/31/34/570643134.db2.gz NVQNAFKNSSJRHR-UHFFFAOYSA-N -1 1 389.411 4.635 50 0 GJAAMM Cc1nnc(SC(=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)[O-])[nH]1 ZINC000005721343 570903593 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50 0 GJAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc3sc(=O)oc3c3ccccc23)c(C)c1 ZINC000000944465 212198979 /nfs/dbraw/zinc/19/89/79/212198979.db2.gz GGXDJNVUYKWESR-UHFFFAOYSA-N -1 1 399.493 4.734 50 0 GJAAMM Cc1ccccc1COc1ccc(-c2nc(N)ncc2-c2ccccc2)c([O-])c1 ZINC000002449881 212145472 /nfs/dbraw/zinc/14/54/72/212145472.db2.gz TUJPJECBPDVCPM-UHFFFAOYSA-N -1 1 383.451 4.986 50 0 GJAAMM Nc1nc(SCc2ccc(Cl)c(Cl)c2)[n-]c(=O)c1-c1ccccc1 ZINC000000640435 206310417 /nfs/dbraw/zinc/31/04/17/206310417.db2.gz DKAOWDKMIKCGGC-UHFFFAOYSA-N -1 1 378.284 4.618 50 0 GJAAMM O=C(Nc1ccc(NC(=O)c2ccccc2[O-])cc1)Nc1ccc(F)cc1F ZINC000001033933 206342805 /nfs/dbraw/zinc/34/28/05/206342805.db2.gz LSUINVKFSDSWBJ-UHFFFAOYSA-N -1 1 383.354 4.567 50 0 GJAAMM Cc1cc(C([O-])(C(F)(F)F)C(F)(F)F)cc(C)c1OC(=O)c1cccs1 ZINC000001445937 206381286 /nfs/dbraw/zinc/38/12/86/206381286.db2.gz PDFKCGJLLIGXED-UHFFFAOYSA-N -1 1 398.324 4.896 50 0 GJAAMM O=S(=O)([N-]CC12CC3CC(CC(C3)C1)C2)c1cc(Cl)sc1Cl ZINC000014086170 207009214 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Cc1noc(C)c1-c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000064837642 222084063 /nfs/dbraw/zinc/08/40/63/222084063.db2.gz QFAAGCADIJYZBJ-UHFFFAOYSA-N -1 1 376.865 4.721 50 0 GJAAMM Cc1cc(F)ccc1/N=c1\oc2cc([O-])ccc2cc1C(=O)Nc1nccs1 ZINC000067298191 222144901 /nfs/dbraw/zinc/14/49/01/222144901.db2.gz KEJQTHZVYABXGP-NMWGTECJSA-N -1 1 395.415 4.527 50 0 GJAAMM CCc1nnc([N-]C(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)s1 ZINC000006125623 570263634 /nfs/dbraw/zinc/26/36/34/570263634.db2.gz YRHZETNYMDIXGE-UHFFFAOYSA-N -1 1 383.260 4.623 50 0 GJAAMM Cc1cc([O-])c(C2=Nc3ccccc3S[C@H](c3cccc(O)c3)C2)c(=O)o1 ZINC000137818246 570398043 /nfs/dbraw/zinc/39/80/43/570398043.db2.gz QAGPYVBZZQRHNX-IBGZPJMESA-N -1 1 379.437 4.717 50 0 GJAAMM O=C1CCCc2oc3ccc([N-]S(=O)(=O)c4ccc5ccccc5c4)cc3c21 ZINC000000844081 570647639 /nfs/dbraw/zinc/64/76/39/570647639.db2.gz PYGZZOGXQVHUFZ-UHFFFAOYSA-N -1 1 391.448 4.906 50 0 GJAAMM CC(C)c1noc(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2)n1 ZINC000058245008 570722692 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CC(C)Sc1nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2s1 ZINC000096399455 208316015 /nfs/dbraw/zinc/31/60/15/208316015.db2.gz USIZIFVLUFQKGJ-UHFFFAOYSA-N -1 1 382.507 4.737 50 0 GJAAMM O=C(c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000007017229 220983841 /nfs/dbraw/zinc/98/38/41/220983841.db2.gz XQADBYSJAYOQTA-UHFFFAOYSA-N -1 1 387.460 4.872 50 0 GJAAMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1sc2ccccc2c1Cl ZINC000007652855 221004266 /nfs/dbraw/zinc/00/42/66/221004266.db2.gz DZHFCNLTMPTZGL-UHFFFAOYSA-N -1 1 386.812 4.724 50 0 GJAAMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cc(C(C)(C)C)ccc2O)c1 ZINC000012995126 221254389 /nfs/dbraw/zinc/25/43/89/221254389.db2.gz BQQKZIHLAIJILV-UHFFFAOYSA-N -1 1 396.516 4.558 50 0 GJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000013365743 221267146 /nfs/dbraw/zinc/26/71/46/221267146.db2.gz QCOXITHGBIHAPW-UHFFFAOYSA-N -1 1 391.452 4.513 50 0 GJAAMM CSc1ccc(NC(=O)[C@@H](C)n2c(=S)[n-]nc2-c2cccs2)cc1 ZINC000058426242 222052826 /nfs/dbraw/zinc/05/28/26/222052826.db2.gz LHXCUWHVHTWZJG-SNVBAGLBSA-N -1 1 376.532 4.591 50 0 GJAAMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1C ZINC000063181237 222066070 /nfs/dbraw/zinc/06/60/70/222066070.db2.gz OMXWOXYAVPWAGV-UHFFFAOYSA-N -1 1 388.533 4.733 50 0 GJAAMM O=C(Nc1ccccn1)c1cc2ccc([O-])cc2o/c1=N\c1cccc(Cl)c1 ZINC000067293300 222144267 /nfs/dbraw/zinc/14/42/67/222144267.db2.gz AOSNXBQWWXUASW-FLFQWRMESA-N -1 1 391.814 4.672 50 0 GJAAMM CCOc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3c2)cc1[C@H](C)CC ZINC000072414283 222256621 /nfs/dbraw/zinc/25/66/21/222256621.db2.gz COMPLGGHGVVASL-OAHLLOKOSA-N -1 1 384.501 4.948 50 0 GJAAMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C)ccc2C)c1 ZINC000001164345 570252392 /nfs/dbraw/zinc/25/23/92/570252392.db2.gz KRMCMSNHCLZQFO-UHFFFAOYSA-N -1 1 394.496 4.665 50 0 GJAAMM O=S(=O)([N-]c1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccccc1 ZINC000002483863 570288284 /nfs/dbraw/zinc/28/82/84/570288284.db2.gz BHPGTOWNMQBRJP-UHFFFAOYSA-N -1 1 384.844 4.949 50 0 GJAAMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000021663239 570294188 /nfs/dbraw/zinc/29/41/88/570294188.db2.gz XJUOZZCUGAFZFR-UHFFFAOYSA-N -1 1 391.452 4.513 50 0 GJAAMM O=c1cc([O-])[nH]c2c1sc1nc(Cc3ccccc3)cc(C(F)(F)F)c12 ZINC000005593891 570448277 /nfs/dbraw/zinc/44/82/77/570448277.db2.gz CFSYFEQTDIPZDN-UHFFFAOYSA-N -1 1 376.359 4.865 50 0 GJAAMM CCCCCCc1cc2cc(-c3csc(NC(C)=O)n3)c(=O)oc2cc1[O-] ZINC000003077971 570502397 /nfs/dbraw/zinc/50/23/97/570502397.db2.gz XUNNWOAXESUQDF-UHFFFAOYSA-N -1 1 386.473 4.703 50 0 GJAAMM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1C ZINC000006623456 570506712 /nfs/dbraw/zinc/50/67/12/570506712.db2.gz UKKCOIYZYMAQIR-UHFFFAOYSA-N -1 1 394.496 4.665 50 0 GJAAMM Cc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000005237993 570524357 /nfs/dbraw/zinc/52/43/57/570524357.db2.gz MFBLGWGSPHFVCC-ZDUSSCGKSA-N -1 1 399.903 4.518 50 0 GJAAMM O=c1cc2c(c3occ(-c4ccccc4)c([O-])c1-3)[C@@H]([C@@H]1CC=CCC1)CC(=O)O2 ZINC000524731879 570766784 /nfs/dbraw/zinc/76/67/84/570766784.db2.gz NPFREZSWVDKTAI-GDBMZVCRSA-N -1 1 388.419 4.915 50 0 biogenic GJAAMM COc1cccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4s3)cc2)c1 ZINC000033169145 570834533 /nfs/dbraw/zinc/83/45/33/570834533.db2.gz MDKIJYBADXBCFS-UHFFFAOYSA-N -1 1 396.493 4.773 50 0 GJAAMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C)cc3)ccc2C)cc1 ZINC000004716808 570856598 /nfs/dbraw/zinc/85/65/98/570856598.db2.gz ZYQDDZBSFGXJFU-UHFFFAOYSA-N -1 1 394.496 4.665 50 0 GJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3noc(-c4ccccc4)n3)cc2)cc1 ZINC000033276452 570951697 /nfs/dbraw/zinc/95/16/97/570951697.db2.gz MAECGDAPNPEOAS-UHFFFAOYSA-N -1 1 391.452 4.513 50 0 GJAAMM CSc1ccc(NC(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1 ZINC000012039442 570957269 /nfs/dbraw/zinc/95/72/69/570957269.db2.gz ATZCWWMYNUWESS-UHFFFAOYSA-N -1 1 384.530 4.667 50 0 GJAAMM CCSc1nc2ccc([N-]S(=O)(=O)c3ccc(CC)cc3)cc2s1 ZINC000033298850 570962946 /nfs/dbraw/zinc/96/29/46/570962946.db2.gz SMKDYUSKALVCAS-UHFFFAOYSA-N -1 1 378.544 4.772 50 0 GJAAMM Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2ccc3ccccc3c2[O-])n1 ZINC000170655727 571000193 /nfs/dbraw/zinc/00/01/93/571000193.db2.gz OXKPOGMWDFRFFW-UHFFFAOYSA-N -1 1 397.478 4.795 50 0 GJAAMM O=C1[N-]C(=O)C(=Cc2cccc(OCc3ccc(Cl)c(Cl)c3)c2)S1 ZINC000001128347 212221063 /nfs/dbraw/zinc/22/10/63/212221063.db2.gz USZOYQBMRBURFO-OVCLIPMQSA-N -1 1 380.252 4.896 50 0 GJAAMM COc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c([O-])c2)c1 ZINC000000830079 212186825 /nfs/dbraw/zinc/18/68/25/212186825.db2.gz KXJCTOLOHIKYSP-UHFFFAOYSA-N -1 1 376.437 4.930 50 0 GJAAMM O=S(=O)([N-]c1ccccc1C1=NCCc2ccccc21)c1ccc(Cl)cc1 ZINC000000676021 206315331 /nfs/dbraw/zinc/31/53/31/206315331.db2.gz CQWZRPAIUHNKCY-UHFFFAOYSA-N -1 1 396.899 4.534 50 0 GJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4cccc(F)c4)oc3c2)cc1 ZINC000000722847 206318609 /nfs/dbraw/zinc/31/86/09/206318609.db2.gz SGSWPASFNNSANG-UHFFFAOYSA-N -1 1 382.416 4.743 50 0 GJAAMM O=C(COc1ccc(Cl)cc1)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1 ZINC000001207723 206367473 /nfs/dbraw/zinc/36/74/73/206367473.db2.gz GIZKTBBCWJYNOL-UHFFFAOYSA-N -1 1 394.814 4.871 50 0 GJAAMM CCCCCC(=O)NC(=S)Nc1ccc(-c2nc3cc(C)ccc3o2)c([O-])c1 ZINC000002052138 206395902 /nfs/dbraw/zinc/39/59/02/206395902.db2.gz HUNGNFXPRSBYBZ-UHFFFAOYSA-N -1 1 397.500 4.902 50 0 GJAAMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H](CC(C)C)c2ccccc2)c1 ZINC000014198854 207014709 /nfs/dbraw/zinc/01/47/09/207014709.db2.gz WCOLQSBUANMVPL-IBGZPJMESA-N -1 1 394.544 4.820 50 0 GJAAMM Cc1nc(SCC(=O)C(C)(C)C)[n-]c(=O)c1Cc1c(Cl)cccc1Cl ZINC000018206156 207095088 /nfs/dbraw/zinc/09/50/88/207095088.db2.gz FNDGBTUNOYYHPO-UHFFFAOYSA-N -1 1 399.343 4.683 50 0 GJAAMM COc1ccc([N-]S(=O)(=O)c2cc(-c3cc(C)no3)ccc2C(C)C)cc1 ZINC000020978881 207221861 /nfs/dbraw/zinc/22/18/61/207221861.db2.gz RRBIJBRTTYCNGW-UHFFFAOYSA-N -1 1 386.473 4.583 50 0 GJAAMM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@H](c2ccc(Cl)cc2)S1 ZINC000096117205 208264060 /nfs/dbraw/zinc/26/40/60/208264060.db2.gz NPCPRDFXJISNMZ-HOCLYGCPSA-N -1 1 391.924 4.846 50 0 GJAAMM Cc1ccc(CNCc2c(C)n(Cc3c(C)cc(C)cc3C)c(C)c2C(=O)[O-])o1 ZINC000008932809 221064421 /nfs/dbraw/zinc/06/44/21/221064421.db2.gz IEVXDXCEIJEGJV-UHFFFAOYSA-N -1 1 394.515 4.968 50 0 GJAAMM CC(C)c1cccc(C(C)C)c1NC(=O)CSc1nc2c(c(=O)[n-]1)CCCC2 ZINC000011903562 221135018 /nfs/dbraw/zinc/13/50/18/221135018.db2.gz JEJHZPLEBDLSJW-UHFFFAOYSA-N -1 1 399.560 4.626 50 0 GJAAMM COc1ccc(S(=O)(=O)[N-]c2ccccc2Nc2ccc(C)cc2)cc1OC ZINC000012525973 221201388 /nfs/dbraw/zinc/20/13/88/221201388.db2.gz VCWVEOLVAMVILJ-UHFFFAOYSA-N -1 1 398.484 4.557 50 0 GJAAMM CCC(C)(C)C1CCC(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)CC1 ZINC000014197247 221303803 /nfs/dbraw/zinc/30/38/03/221303803.db2.gz XWEYTWLEMVFLIM-UHFFFAOYSA-N -1 1 392.594 4.780 50 0 GJAAMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OC(C)C)cc2)cc1 ZINC000014256730 221308332 /nfs/dbraw/zinc/30/83/32/221308332.db2.gz ZYJUHLKYNIOCGU-HNNXBMFYSA-N -1 1 375.490 4.566 50 0 GJAAMM Cc1noc(C)c1-c1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000064837788 222083572 /nfs/dbraw/zinc/08/35/72/222083572.db2.gz BINPPYDLEGTKQV-UHFFFAOYSA-N -1 1 380.828 4.552 50 0 GJAAMM O=C1C[C@@H](c2ccsc2)c2c(cc([O-])c3c(=O)cc(-c4ccccc4)oc32)O1 ZINC000096114197 222381306 /nfs/dbraw/zinc/38/13/06/222381306.db2.gz XPNPKQSCYZUYBU-AWEZNQCLSA-N -1 1 390.416 4.668 50 0 biogenic GJAAMM O=C1C[C@@H](c2ccsc2)c2c(cc(=O)c3c([O-])cc(-c4ccccc4)oc2-3)O1 ZINC000096114197 222381308 /nfs/dbraw/zinc/38/13/08/222381308.db2.gz XPNPKQSCYZUYBU-AWEZNQCLSA-N -1 1 390.416 4.668 50 0 biogenic GJAAMM O=c1[n-]c(-c2c[nH]c3ccccc32)nc2c1sc(=S)n2Cc1ccccc1 ZINC000100145319 570307490 /nfs/dbraw/zinc/30/74/90/570307490.db2.gz PGVOAQSNVJHMDA-UHFFFAOYSA-N -1 1 390.493 4.712 50 0 GJAAMM CCCCCCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000002900076 570317362 /nfs/dbraw/zinc/31/73/62/570317362.db2.gz LYKSHYXQTNWLNX-UHFFFAOYSA-N -1 1 390.505 4.925 50 0 GJAAMM Cc1nc(SCC(=O)C(C)(C)C)[n-]c(=O)c1Cc1c(F)cccc1Cl ZINC000005176430 570430651 /nfs/dbraw/zinc/43/06/51/570430651.db2.gz VJFHSOLJTCZYSL-UHFFFAOYSA-N -1 1 382.888 4.581 50 0 GJAAMM COCCOc1cc([N-]c2nnc(C(F)(F)F)s2)c(Cl)cc1Cl ZINC000006640848 570515532 /nfs/dbraw/zinc/51/55/32/570515532.db2.gz ZZVOSYKNKUABTR-UHFFFAOYSA-N -1 1 388.198 4.633 50 0 GJAAMM O=c1[n-]n(C2CCCC2)c2c1[C@@H](c1ccc(Cl)cc1Cl)SCC(=O)N2 ZINC000006727451 570554237 /nfs/dbraw/zinc/55/42/37/570554237.db2.gz CYFQSEADTSEMSI-OAHLLOKOSA-N -1 1 398.315 4.785 50 0 GJAAMM Cc1cccc(S(=O)(=O)[N-]c2cc(-c3cn4cccc(C)c4n3)ccc2C)c1 ZINC000006748131 570566193 /nfs/dbraw/zinc/56/61/93/570566193.db2.gz BQAJTYIELYDOOM-UHFFFAOYSA-N -1 1 391.496 4.727 50 0 GJAAMM Cc1ccn2cc(-c3ccc(C)c([N-]S(=O)(=O)c4cccc(C)c4)c3)nc2c1 ZINC000006748130 570566273 /nfs/dbraw/zinc/56/62/73/570566273.db2.gz GKNSDNMTKMKGAL-UHFFFAOYSA-N -1 1 391.496 4.727 50 0 GJAAMM CCc1ccc(S(=O)(=O)[N-]c2cc(-c3cn4ccccc4n3)ccc2C)cc1 ZINC000006748137 570566347 /nfs/dbraw/zinc/56/63/47/570566347.db2.gz KMWFKZGSEMRGJB-UHFFFAOYSA-N -1 1 391.496 4.673 50 0 GJAAMM Cc1ccc(C(=O)Nc2ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc2)cc1 ZINC000003196494 570596075 /nfs/dbraw/zinc/59/60/75/570596075.db2.gz LDIZNHAYEVOVDT-UHFFFAOYSA-N -1 1 377.284 4.560 50 0 GJAAMM CCCOc1c(Br)cc(C=C2SC(=S)[N-]C2=O)cc1OC ZINC000003361652 570604286 /nfs/dbraw/zinc/60/42/86/570604286.db2.gz BFRADXOVLZVHPQ-YRNVUSSQSA-N -1 1 388.308 4.576 50 0 GJAAMM O=C(CSc1ccccc1)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1 ZINC000012406653 570662202 /nfs/dbraw/zinc/66/22/02/570662202.db2.gz TVVZIHBEGBKVOH-UHFFFAOYSA-N -1 1 376.437 4.931 50 0 GJAAMM Cc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000033048494 570699680 /nfs/dbraw/zinc/69/96/80/570699680.db2.gz PHJSTQVUMBPGMR-UHFFFAOYSA-N -1 1 383.313 4.833 50 0 GJAAMM Cc1nnc(SC(=Cc2ccc(-c3cc(Cl)ccc3C)o2)C(=O)[O-])[nH]1 ZINC000001235525 570714223 /nfs/dbraw/zinc/71/42/23/570714223.db2.gz HAQIFVQHRZHBAY-NVNXTCNLSA-N -1 1 375.837 4.553 50 0 GJAAMM Cc1nc(SC(=Cc2ccc(-c3cc(Cl)ccc3C)o2)C(=O)[O-])n[nH]1 ZINC000001235525 570714228 /nfs/dbraw/zinc/71/42/28/570714228.db2.gz HAQIFVQHRZHBAY-NVNXTCNLSA-N -1 1 375.837 4.553 50 0 GJAAMM Cc1nnc(SC(=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)[O-])[nH]1 ZINC000006588312 570748808 /nfs/dbraw/zinc/74/88/08/570748808.db2.gz QDCJDXWCIDDXLY-ZSOIEALJSA-N -1 1 395.362 4.610 50 0 GJAAMM Cc1nc(SC(=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)[O-])n[nH]1 ZINC000006588312 570748810 /nfs/dbraw/zinc/74/88/10/570748810.db2.gz QDCJDXWCIDDXLY-ZSOIEALJSA-N -1 1 395.362 4.610 50 0 GJAAMM O=C1S/C(=C\c2ccc([O-])c(Cl)c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000005894899 570801700 /nfs/dbraw/zinc/80/17/00/570801700.db2.gz JIHMFBPVUYIOGO-NVNXTCNLSA-N -1 1 380.252 4.936 50 0 GJAAMM Cc1ccc(NC(=O)[C@@H](C)n2c(=S)[n-]nc2-c2cccs2)cc1Cl ZINC000065538120 570831769 /nfs/dbraw/zinc/83/17/69/570831769.db2.gz QCTVWDVZHNYKFE-SNVBAGLBSA-N -1 1 378.910 4.831 50 0 GJAAMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc(OCc3ccccn3)c2)c1C ZINC000032833745 570845566 /nfs/dbraw/zinc/84/55/66/570845566.db2.gz IJNQFNFVJLIIQQ-UHFFFAOYSA-N -1 1 396.512 4.695 50 0 GJAAMM Cc1cc2oc3c(c2cc1[N-]S(=O)(=O)c1ccc(Cl)cc1)C(=O)CCC3 ZINC000004735770 570950231 /nfs/dbraw/zinc/95/02/31/570950231.db2.gz HAIWQGMVJCYLIA-UHFFFAOYSA-N -1 1 389.860 4.714 50 0 GJAAMM CSc1nc2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)cc2s1 ZINC000033298815 570962464 /nfs/dbraw/zinc/96/24/64/570962464.db2.gz UNPQGXJPFWFVLG-UHFFFAOYSA-N -1 1 378.544 4.744 50 0 GJAAMM CCSc1nc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2s1 ZINC000033298838 570962977 /nfs/dbraw/zinc/96/29/77/570962977.db2.gz FMCIAIZKZVJNNJ-UHFFFAOYSA-N -1 1 384.935 4.863 50 0 GJAAMM CCOc1ccc([N-]S(=O)(=O)c2cc(-c3csc(C)n3)sc2C)cc1 ZINC000033308396 570968143 /nfs/dbraw/zinc/96/81/43/570968143.db2.gz YXTODXLBIORXCH-UHFFFAOYSA-N -1 1 394.543 4.688 50 0 GJAAMM