smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([C@@H]2C/C(=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)NN2)c(OC)c1 ZINC000013576001 132350885 /nfs/dbraw/zinc/35/08/85/132350885.db2.gz JURIYRWXWHGNFI-ROAZCBAYSA-N -1 0 442.859 2.433 50 0 IEAARM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C)C(=O)[O-])CC1 ZINC000252694370 519819457 /nfs/dbraw/zinc/81/94/57/519819457.db2.gz JUZONQPLLGKSSF-VGWMRTNUSA-N -1 0 427.542 2.048 50 0 biogenic IEAARM CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000012888567 519819652 /nfs/dbraw/zinc/81/96/52/519819652.db2.gz XMYXETUGOQCYNJ-UXHICEINSA-N -1 0 448.479 2.180 50 0 biogenic IEAARM CCCCNC(=O)CN1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)CC)ccc3n2)CC1 ZINC000033260741 520617149 /nfs/dbraw/zinc/61/71/49/520617149.db2.gz OAVGCXIDWWJWHW-UHFFFAOYSA-N -1 0 441.532 2.320 50 0 IEAARM CCOC(=O)N1CCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000012525783 520950329 /nfs/dbraw/zinc/95/03/29/520950329.db2.gz AARJLLJVMXEUED-UHFFFAOYSA-N -1 0 447.513 2.410 50 0 IEAARM CCOC(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccccc3)cc2C(=O)[O-])CC1 ZINC000032961601 520961771 /nfs/dbraw/zinc/96/17/71/520961771.db2.gz ROOSPRXQNAXELZ-UHFFFAOYSA-N -1 0 433.486 2.464 50 0 IEAARM CCOC(=O)[C@H]1CCCN(c2ncc(NS(=O)(=O)c3ccccc3)cc2C(=O)[O-])C1 ZINC000035397280 521305174 /nfs/dbraw/zinc/30/51/74/521305174.db2.gz OZRBNBBLCQXKQC-AWEZNQCLSA-N -1 0 433.486 2.360 50 0 IEAARM CCOC(=O)c1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3cc(C)cc(C)c3)c(=O)c1=2 ZINC000022770436 521549793 /nfs/dbraw/zinc/54/97/93/521549793.db2.gz XLOVKIKKBWMGFL-WOJBJXKFSA-N -1 0 449.467 2.412 50 0 IEAARM CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)c2ccccc2n(C)c1=O)C(=O)[O-] ZINC000012886631 521968854 /nfs/dbraw/zinc/96/88/54/521968854.db2.gz HRCMHRFKYHUSDF-YSSFQJQWSA-N -1 0 437.496 2.100 50 0 biogenic IEAARM COC(=O)c1ccc(OC)c(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c1 ZINC000020215657 522139795 /nfs/dbraw/zinc/13/97/95/522139795.db2.gz ICXKDMNISLCUNS-SJORKVTESA-N -1 0 430.367 2.253 50 0 IEAARM COC(=O)c1sc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)c(C(=O)OC)c1C ZINC000012557256 522427949 /nfs/dbraw/zinc/42/79/49/522427949.db2.gz BTMSULQGFLOULX-UHFFFAOYSA-N -1 0 426.472 2.389 50 0 IEAARM C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(C(=O)[O-])c(O)c3)c(Cl)c2)C1=O ZINC000041182039 524748848 /nfs/dbraw/zinc/74/88/48/524748848.db2.gz IZUWLNCQOXRJMZ-VIFPVBQESA-N -1 0 438.845 2.309 50 0 IEAARM COc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCN(C(C)=O)CC2)c(OC)c1 ZINC000022627506 525214337 /nfs/dbraw/zinc/21/43/37/525214337.db2.gz DPNNEZITZTWOGD-KRWDZBQOSA-N -1 0 431.518 2.076 50 0 IEAARM CS(=O)(=O)[N-]c1nc2ccc(NC(=O)CN3C(=O)COc4ccccc43)cc2s1 ZINC000021883085 525229116 /nfs/dbraw/zinc/22/91/16/525229116.db2.gz NYZGAPUEQROEEX-UHFFFAOYSA-N -1 0 432.483 2.032 50 0 IEAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3 ZINC000012899969 526305209 /nfs/dbraw/zinc/30/52/09/526305209.db2.gz WRUYDQZAHINRCD-FQEVSTJZSA-N -1 0 446.463 2.015 50 0 biogenic IEAARM O=C(Nc1nc2ccc(F)cc2s1)c1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000012421815 527513856 /nfs/dbraw/zinc/51/38/56/527513856.db2.gz YUTXPYKQBZSZIG-UHFFFAOYSA-N -1 0 437.474 2.414 50 0 IEAARM CC(=O)[N-]S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000000898170 555580551 /nfs/dbraw/zinc/58/05/51/555580551.db2.gz KNIODZHHZPOPLM-UHFFFAOYSA-N -1 0 433.305 2.075 50 0 IEAARM COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c([O-])[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O ZINC000002269675 555764123 /nfs/dbraw/zinc/76/41/23/555764123.db2.gz QDWRUVDTRCBFHT-HNNXBMFYSA-N -1 0 430.800 2.162 50 0 IEAARM Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])CC2)cc1 ZINC000002355409 555771500 /nfs/dbraw/zinc/77/15/00/555771500.db2.gz QLZSOZMWFPKJDM-FQEVSTJZSA-N -1 0 430.526 2.208 50 0 IEAARM COc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(CCC(=O)[O-])C3=O)cc(OC)c1OC ZINC000002868473 555848421 /nfs/dbraw/zinc/84/84/21/555848421.db2.gz LYTWQCDEILIZST-UHFFFAOYSA-N -1 0 428.397 2.035 50 0 IEAARM O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 ZINC000008834396 556225816 /nfs/dbraw/zinc/22/58/16/556225816.db2.gz REHNHKDEJXDABF-CQSZACIVSA-N -1 0 431.251 2.265 50 0 IEAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1 ZINC000009190896 556253243 /nfs/dbraw/zinc/25/32/43/556253243.db2.gz JAIQEHCAYUCJON-AWEZNQCLSA-N -1 0 449.916 2.465 50 0 IEAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc1OC ZINC000009674541 556305798 /nfs/dbraw/zinc/30/57/98/556305798.db2.gz JWADTHIWEUFOBB-MSOLQXFVSA-N -1 0 443.847 2.289 50 0 IEAARM COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)Cn2nnc3c2c(=O)[nH][n-]c3=O)cc1 ZINC000013959484 556346401 /nfs/dbraw/zinc/34/64/01/556346401.db2.gz LBOXUXMQLKDNHY-QGZVFWFLSA-N -1 0 445.439 2.019 50 0 IEAARM O=C([O-])CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C1=O)[C@@H]1[C@@H]3Sc2[nH]c(=O)sc2C12CCCCC2 ZINC000032594705 556408091 /nfs/dbraw/zinc/40/80/91/556408091.db2.gz FUPMLKHYFHMFNU-VMFVLUETSA-N -1 0 448.566 2.454 50 0 IEAARM Cc1cc(S(=O)(=O)N(C)C)cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1C ZINC000013032523 556442853 /nfs/dbraw/zinc/44/28/53/556442853.db2.gz DXIBLSXHFHBORK-UHFFFAOYSA-N -1 0 426.516 2.361 50 0 IEAARM O=C(NC1CC1)c1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000032869183 556450158 /nfs/dbraw/zinc/45/01/58/556450158.db2.gz LTSPGJBVVKEGCE-UHFFFAOYSA-N -1 0 449.554 2.164 50 0 IEAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnnn1-c1cccc(F)c1 ZINC000013400838 556504547 /nfs/dbraw/zinc/50/45/47/556504547.db2.gz IMDSBSIWLAQHKW-KRWDZBQOSA-N -1 0 440.460 2.187 50 0 IEAARM CSCC[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000013592381 556530362 /nfs/dbraw/zinc/53/03/62/556530362.db2.gz OSYAYNHJLRXOSQ-HOTGVXAUSA-N -1 0 447.561 2.303 50 0 IEAARM CC(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1)C(=O)[O-] ZINC000013629164 556538539 /nfs/dbraw/zinc/53/85/39/556538539.db2.gz CEXBUMZOLVUHHY-AWEZNQCLSA-N -1 0 440.547 2.429 50 0 IEAARM COCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3cc(OC)ccc3OC)cc2)CC1 ZINC000033274620 556558834 /nfs/dbraw/zinc/55/88/34/556558834.db2.gz IXQRTKOOMAWGQP-UHFFFAOYSA-N -1 0 434.514 2.299 50 0 IEAARM CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1cc(Br)ccc1OCC(=O)[O-] ZINC000016361250 556602278 /nfs/dbraw/zinc/60/22/78/556602278.db2.gz AAIPLWNUXHWUKA-CQSZACIVSA-N -1 0 429.292 2.268 50 0 IEAARM CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1cc(Br)ccc1OCC(=O)[O-] ZINC000016361251 556602324 /nfs/dbraw/zinc/60/23/24/556602324.db2.gz AAIPLWNUXHWUKA-AWEZNQCLSA-N -1 0 429.292 2.268 50 0 IEAARM COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1cccc2cccnc21 ZINC000011858368 556663881 /nfs/dbraw/zinc/66/38/81/556663881.db2.gz XESFBTDQLUGQEG-UHFFFAOYSA-N -1 0 447.494 2.111 50 0 IEAARM CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])CC2)cc1 ZINC000017099038 556664218 /nfs/dbraw/zinc/66/42/18/556664218.db2.gz DNTFPTIGMFWUIH-OALUTQOASA-N -1 0 434.558 2.484 50 0 IEAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1c(C)cc(N2C(=O)CCS2(=O)=O)cc1C ZINC000011906440 556671579 /nfs/dbraw/zinc/67/15/79/556671579.db2.gz AFWDDBGNYRHFGF-UHFFFAOYSA-N -1 0 438.527 2.488 50 0 IEAARM CCn1c(=O)c(C(=O)/C(C#N)=C\c2ccc(C(=O)[O-])cc2)c(N)n(Cc2ccccc2)c1=O ZINC000069566380 556724437 /nfs/dbraw/zinc/72/44/37/556724437.db2.gz JZHPEJDRXOZQPZ-PDGQHHTCSA-N -1 0 444.447 2.148 50 0 IEAARM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(-c2n[nH]cc2C(=O)N2CCOCC2)o1 ZINC000097940829 556811486 /nfs/dbraw/zinc/81/14/86/556811486.db2.gz HCFBQIYTSNMOIY-UHFFFAOYSA-N -1 0 434.449 2.390 50 0 IEAARM O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000019645504 556840072 /nfs/dbraw/zinc/84/00/72/556840072.db2.gz KSZHYBWATBTWMT-INCPQMAJSA-N -1 0 446.978 2.371 50 0 IEAARM CCOc1ccccc1NC(=O)CN1C(=O)N[C@](CCC(=O)[O-])(c2ccccc2)C1=O ZINC000008844961 556850051 /nfs/dbraw/zinc/85/00/51/556850051.db2.gz IJRHXMYKQCDMFY-JOCHJYFZSA-N -1 0 425.441 2.336 50 0 IEAARM COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000020332297 557008381 /nfs/dbraw/zinc/00/83/81/557008381.db2.gz NKHQJQHABUHZFN-QIYXJHPLSA-N -1 0 446.463 2.399 50 0 IEAARM O=c1[nH]c(=S)[nH]c([O-])c1[C@H](O)c1cc(Br)ccc1OCc1ccccc1 ZINC000000687984 557135576 /nfs/dbraw/zinc/13/55/76/557135576.db2.gz ARDPYYLRZPLEGK-OAHLLOKOSA-N -1 0 435.299 2.209 50 0 IEAARM CN(C)c1nc(N2CCOCC2)ncc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000206734892 557150335 /nfs/dbraw/zinc/15/03/35/557150335.db2.gz PFRYVZVUAJHMFO-UHFFFAOYSA-N -1 0 431.440 2.199 50 0 IEAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2cnn(C[C@H]3COc4ccccc4O3)c2)cc1 ZINC000206847671 557166345 /nfs/dbraw/zinc/16/63/45/557166345.db2.gz RJKBGTWKICGLCU-INIZCTEOSA-N -1 0 429.454 2.311 50 0 IEAARM COc1ccc(NC(=O)CCSCCC(=O)[O-])cc1S(=O)(=O)N1CCCCC1 ZINC000025053936 557191677 /nfs/dbraw/zinc/19/16/77/557191677.db2.gz BBCXEFOTZPNONV-UHFFFAOYSA-N -1 0 430.548 2.406 50 0 IEAARM COC(=O)c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000100943167 557203169 /nfs/dbraw/zinc/20/31/69/557203169.db2.gz YFSJRTTWSAIOHL-GDBMZVCRSA-N -1 0 428.242 2.356 50 0 IEAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2)Nc1ccc(Br)cc1 ZINC000100033350 557238056 /nfs/dbraw/zinc/23/80/56/557238056.db2.gz FSXUHGWFCJPYNT-HOTGVXAUSA-N -1 0 428.246 2.381 50 0 IEAARM COc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(Cl)c4)c(=O)c2=3)c1 ZINC000101168796 557258669 /nfs/dbraw/zinc/25/86/69/557258669.db2.gz HWVXWRSNFDDDHB-ZWKOTPCHSA-N -1 0 443.847 2.289 50 0 IEAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(Cl)c4)c(=O)c2=3)cc1 ZINC000101168805 557258901 /nfs/dbraw/zinc/25/89/01/557258901.db2.gz WWHDPDCERDVUFW-ROUUACIJSA-N -1 0 443.847 2.289 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)c(C)c4)c=3c2=O)cc1OC ZINC000101169885 557259712 /nfs/dbraw/zinc/25/97/12/557259712.db2.gz MZQVZGABVXUJDT-VQTJNVASSA-N -1 0 437.456 2.253 50 0 IEAARM CCOC(=O)c1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3cc(C)cc(C)c3)c(=O)c1=2 ZINC000101352889 557274912 /nfs/dbraw/zinc/27/49/12/557274912.db2.gz XLOVKIKKBWMGFL-PMACEKPBSA-N -1 0 449.467 2.412 50 0 IEAARM CCc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(OC)c(OC)c3)c(=O)c1=2 ZINC000101390278 557282883 /nfs/dbraw/zinc/28/28/83/557282883.db2.gz DIRDPAIJOOFMAI-PMACEKPBSA-N -1 0 437.456 2.198 50 0 IEAARM CCOc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(C)ccc4OC)c=3c2=O)cc1 ZINC000101416949 557284936 /nfs/dbraw/zinc/28/49/36/557284936.db2.gz YZXYSLKFLCWUNL-PMACEKPBSA-N -1 0 437.456 2.334 50 0 IEAARM COc1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(-c4ccccc4C)c3=O)=NN2C(C)=O)cc1 ZINC000101456260 557286805 /nfs/dbraw/zinc/28/68/05/557286805.db2.gz FSCSFOJQCNXKRQ-IBGZPJMESA-N -1 0 434.452 2.246 50 0 IEAARM CCOc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(Cc4ccccc4)c3[O-])=NN2C(C)=O)cc1 ZINC000101456338 557287124 /nfs/dbraw/zinc/28/71/24/557287124.db2.gz SVDQNTRCJVOVGP-HXUWFJFHSA-N -1 0 448.479 2.387 50 0 IEAARM O=c1[nH]c(=O)n(Cc2ccccc2)c([O-])c1C1=NN[C@H](c2ccc(Br)cc2)C1 ZINC000101762415 557297179 /nfs/dbraw/zinc/29/71/79/557297179.db2.gz OAUNVFPRUZMUOD-HNNXBMFYSA-N -1 0 441.285 2.492 50 0 IEAARM COc1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(-c4cc(C)cc(C)c4)c3=O)=NN2)cc1OC ZINC000101762964 557297471 /nfs/dbraw/zinc/29/74/71/557297471.db2.gz WEMVKJANYNGJJK-MRXNPFEDSA-N -1 0 436.468 2.304 50 0 IEAARM Cn1c2cc([N-]S(=O)(=O)c3cccs3)c(N3CCCCC3)cc2n(C)c(=O)c1=O ZINC000102488103 557331615 /nfs/dbraw/zinc/33/16/15/557331615.db2.gz ZINURACQURVBOW-UHFFFAOYSA-N -1 0 434.543 2.090 50 0 IEAARM Cc1ccc(CNC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(Cl)c4)c(=O)c2=3)cc1 ZINC000101169709 557455587 /nfs/dbraw/zinc/45/55/87/557455587.db2.gz SSLDCSONXICLCR-ROUUACIJSA-N -1 0 429.839 2.397 50 0 IEAARM COC(=O)c1cc(Br)c(S(=O)(=O)[N-][C@@H]2c3ccccc3C[C@H]2O)s1 ZINC000225419534 557721038 /nfs/dbraw/zinc/72/10/38/557721038.db2.gz CJXHCYYRJZLNKV-DGCLKSJQSA-N -1 0 432.317 2.234 50 0 IEAARM CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCCC[C@@H]2C(=O)[O-])ccc1OC ZINC000225483105 557728242 /nfs/dbraw/zinc/72/82/42/557728242.db2.gz DTIXMFIRJXEXCQ-JKSUJKDBSA-N -1 0 426.535 2.489 50 0 IEAARM CCOc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1O[C@@H](C)C(=O)N(C)C ZINC000096403054 557805957 /nfs/dbraw/zinc/80/59/57/557805957.db2.gz LBXYSGMJWQKYDN-ZRRZQRFHSA-N -1 0 438.527 2.227 50 0 IEAARM O=C([O-])[C@@]12CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]1CS(=O)(=O)C2 ZINC000685945098 557839198 /nfs/dbraw/zinc/83/91/98/557839198.db2.gz UOHSSPSYONUKQJ-JLCFBVMHSA-N -1 0 427.478 2.367 50 0 IEAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3cccnc3)cc2)s1 ZINC000002194103 562926180 /nfs/dbraw/zinc/92/61/80/562926180.db2.gz MPANIRVTAUXCNI-UHFFFAOYSA-N -1 0 448.555 2.423 50 0 IEAARM COc1cc2c(cc(C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)[O-])C(C)C)n2C)c(OC)c1 ZINC000008791997 562964256 /nfs/dbraw/zinc/96/42/56/562964256.db2.gz XUNJTZNAIXYURM-KXBFYZLASA-N -1 0 431.489 2.026 50 0 biogenic IEAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000008882531 562965782 /nfs/dbraw/zinc/96/57/82/562965782.db2.gz LCQGFFFKEBYVAL-UHFFFAOYSA-N -1 0 439.251 2.232 50 0 IEAARM Cc1ccc(CNS(=O)(=O)c2cc(F)ccc2CN2C(=O)c3cccnc3C2=O)o1 ZINC000009274311 562968751 /nfs/dbraw/zinc/96/87/51/562968751.db2.gz IHQBIFOSMXKOPL-UHFFFAOYSA-N -1 0 429.429 2.397 50 0 IEAARM C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccco4)o3)cc2)C[C@H](C)O1 ZINC000009427828 562970517 /nfs/dbraw/zinc/97/05/17/562970517.db2.gz PLDGUNMSIUJWCI-STQMWFEESA-N -1 0 432.458 2.380 50 0 IEAARM COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000009612387 562974079 /nfs/dbraw/zinc/97/40/79/562974079.db2.gz VZUOJCDNZHVDMT-NTEUORMPSA-N -1 0 438.527 2.129 50 0 IEAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000009713305 562975746 /nfs/dbraw/zinc/97/57/46/562975746.db2.gz UGBMBBQNRSAMCY-FMIVXFBMSA-N -1 0 443.525 2.200 50 0 IEAARM COc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@@H](C)O3)cc1 ZINC000015936714 563018992 /nfs/dbraw/zinc/01/89/92/563018992.db2.gz ZJHHICKHXXLJFY-FZKQIMNGSA-N -1 0 448.497 2.323 50 0 IEAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3C(=O)[O-])c(=O)n2[C@H]1c1ccccc1 ZINC000003768544 568754475 /nfs/dbraw/zinc/75/44/75/568754475.db2.gz SNMJAWMFIGXXHC-LVSKKATPSA-N -1 0 448.500 2.497 50 0 IEAARM COc1cccc(-n2c(=O)c([C@H]3NCCc4cc(OC)c(OC)cc43)c([O-])[nH]c2=S)c1 ZINC000001252845 568775077 /nfs/dbraw/zinc/77/50/77/568775077.db2.gz QXOOLLDZRIVZJF-IBGZPJMESA-N -1 0 441.509 2.488 50 0 IEAARM O=C([N-]S(=O)(=O)c1ccccc1Cl)N[C@]1(C(F)(F)F)C(=O)O[C@H]2CCC[C@H]21 ZINC000004127203 568780791 /nfs/dbraw/zinc/78/07/91/568780791.db2.gz XBANLHASJIBGNH-YACGNSKGSA-N -1 0 426.800 2.355 50 0 IEAARM CN(CCOc1ccc(Cl)cc1)C(=O)c1nc2n(n1)-c1ccccc1S(=O)(=O)[N-]2 ZINC000083861020 568783857 /nfs/dbraw/zinc/78/38/57/568783857.db2.gz YLIHXYAJEYCVAK-UHFFFAOYSA-N -1 0 433.877 2.186 50 0 IEAARM COc1ccc(S(=O)(=O)[N-]c2cc(N3CCCS3(=O)=O)ccc2OC)cc1C ZINC000015780555 568825344 /nfs/dbraw/zinc/82/53/44/568825344.db2.gz NTFUGMGTBVRMGL-UHFFFAOYSA-N -1 0 426.516 2.353 50 0 IEAARM COc1ccc(N2CCCS2(=O)=O)cc1[N-]S(=O)(=O)c1cc(C)ccc1OC ZINC000015780557 568825372 /nfs/dbraw/zinc/82/53/72/568825372.db2.gz ZOTFRPMYSXENCN-UHFFFAOYSA-N -1 0 426.516 2.353 50 0 IEAARM CCC(=O)N1N=C(c2c([O-])[nH]c(=S)n(C)c2=O)C[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000015834893 568843318 /nfs/dbraw/zinc/84/33/18/568843318.db2.gz CJPLZRIRJGPTPG-GFCCVEGCSA-N -1 0 448.501 2.262 50 0 IEAARM CCCCc1c([O-])nc(SCC(=O)N2CCOCC2)n(-c2ccc(OC)cc2)c1=O ZINC000016639493 568927432 /nfs/dbraw/zinc/92/74/32/568927432.db2.gz UEUKDQQEVUUGHE-UHFFFAOYSA-N -1 0 433.530 2.240 50 0 IEAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3 ZINC000036569779 569118469 /nfs/dbraw/zinc/11/84/69/569118469.db2.gz WRUYDQZAHINRCD-HXUWFJFHSA-N -1 0 446.463 2.015 50 0 IEAARM Cc1cccc(N2CCN(S(=O)(=O)c3nn(Cc4ccccc4)cc3C(=O)[O-])CC2)c1 ZINC000065240442 569120850 /nfs/dbraw/zinc/12/08/50/569120850.db2.gz HEWXTGBMGSIQAU-UHFFFAOYSA-N -1 0 440.525 2.449 50 0 IEAARM Cc1ccc(-c2noc(CCC(=O)[N-]S(=O)(=O)N3CCc4sccc4C3)n2)cc1 ZINC000065609754 569140195 /nfs/dbraw/zinc/14/01/95/569140195.db2.gz VSFUFAICYAFGOW-UHFFFAOYSA-N -1 0 432.527 2.458 50 0 IEAARM COc1cc2oc(=O)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)[O-])c(C)c2cc1OC ZINC000002159521 569187778 /nfs/dbraw/zinc/18/77/78/569187778.db2.gz JCQZIXYSTBCDCD-KRWDZBQOSA-N -1 0 441.436 2.179 50 0 biogenic IEAARM CC(C)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000009109212 569293779 /nfs/dbraw/zinc/29/37/79/569293779.db2.gz XMYXETUGOQCYNJ-VQTJNVASSA-N -1 0 448.479 2.180 50 0 biogenic IEAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c1C ZINC000013079235 569309382 /nfs/dbraw/zinc/30/93/82/569309382.db2.gz OFJQYYLRPHJERE-UHFFFAOYSA-N -1 0 426.516 2.489 50 0 IEAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(C(=O)C(C)C)C2)c1 ZINC000079108677 569325995 /nfs/dbraw/zinc/32/59/95/569325995.db2.gz RJUZKGOSHOXIDI-QGZVFWFLSA-N -1 0 445.541 2.483 50 0 IEAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(C(=O)C(C)C)C2)c1 ZINC000079108672 569326013 /nfs/dbraw/zinc/32/60/13/569326013.db2.gz RJUZKGOSHOXIDI-KRWDZBQOSA-N -1 0 445.541 2.483 50 0 IEAARM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2ccc3c(c2)OCO3)cc1 ZINC000079108609 569326015 /nfs/dbraw/zinc/32/60/15/569326015.db2.gz QRTZKEWEIKDIBT-UHFFFAOYSA-N -1 0 435.483 2.400 50 0 IEAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccccn2)c1 ZINC000079111984 569326153 /nfs/dbraw/zinc/32/61/53/569326153.db2.gz IMVFUESVTOVVOH-UHFFFAOYSA-N -1 0 440.481 2.260 50 0 IEAARM O=S(=O)([N-]c1c[nH]nc1-c1ccccn1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000095431426 569366330 /nfs/dbraw/zinc/36/63/30/569366330.db2.gz XQLQVJBZZSWSDS-UHFFFAOYSA-N -1 0 447.542 2.447 50 0 IEAARM CCOc1cc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)ccc1OCC(=O)N1CCCCC1 ZINC000095432799 569366390 /nfs/dbraw/zinc/36/63/90/569366390.db2.gz AOWALTSXYGDRKD-KRWDZBQOSA-N -1 0 442.520 2.010 50 0 IEAARM COc1nccnc1[N-]S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000095460445 569369619 /nfs/dbraw/zinc/36/96/19/569369619.db2.gz NQYGOIDYDUDNNX-UHFFFAOYSA-N -1 0 438.462 2.226 50 0 IEAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c(OC)c1 ZINC000095464079 569370518 /nfs/dbraw/zinc/37/05/18/569370518.db2.gz LJZPJIRZLHOQEW-GOSISDBHSA-N -1 0 448.497 2.090 50 0 IEAARM COC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1c([O-])nc2ccc(Cl)cn2c1=O ZINC000096114619 569382814 /nfs/dbraw/zinc/38/28/14/569382814.db2.gz MENXRMIZTANFCW-GFCCVEGCSA-N -1 0 434.832 2.471 50 0 biogenic IEAARM COc1cc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccccc2)cc(OC)c1OC ZINC000096361048 569397609 /nfs/dbraw/zinc/39/76/09/569397609.db2.gz TYIHWUTXMUKRKE-UHFFFAOYSA-N -1 0 432.458 2.489 50 0 IEAARM COc1ccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)S(=O)(=O)c2ccccc2)cc1 ZINC000021796123 569400726 /nfs/dbraw/zinc/40/07/26/569400726.db2.gz YFUJALXPANJGIW-UHFFFAOYSA-N -1 0 425.470 2.130 50 0 IEAARM O=S(=O)([N-]c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1)c1ccccc1 ZINC000002694920 569417298 /nfs/dbraw/zinc/41/72/98/569417298.db2.gz VKWRVYZQXKIUAN-UHFFFAOYSA-N -1 0 439.540 2.118 50 0 IEAARM COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc(C(=O)[O-])n(C)n3)cc2)cc1 ZINC000002761813 569420654 /nfs/dbraw/zinc/42/06/54/569420654.db2.gz HTYGCLANCSBDDT-UHFFFAOYSA-N -1 0 430.442 2.180 50 0 IEAARM COc1ccc(CCNC(=O)C[C@@H]2N=C3c4ccccc4[N-]C(=S)N3C2=O)cc1OC ZINC000002966920 569433085 /nfs/dbraw/zinc/43/30/85/569433085.db2.gz ACPXMPOHFTWLBN-INIZCTEOSA-N -1 0 438.509 2.121 50 0 IEAARM COC(=O)c1sc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)c(C(=O)OC)c1C ZINC000003322199 569446012 /nfs/dbraw/zinc/44/60/12/569446012.db2.gz JVUJGFVNPOQMKH-UHFFFAOYSA-N -1 0 426.472 2.389 50 0 IEAARM Cn1c2ccccc2c(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1C(=O)[O-] ZINC000003660307 569455871 /nfs/dbraw/zinc/45/58/71/569455871.db2.gz HDZLBIYAQNZSJS-UHFFFAOYSA-N -1 0 435.480 2.492 50 0 IEAARM CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N[C@@H](C)C(=O)[O-] ZINC000008791118 569476143 /nfs/dbraw/zinc/47/61/43/569476143.db2.gz HORMGZBYZMQGQC-XAFIJRRZSA-N -1 0 447.557 2.155 50 0 biogenic IEAARM CC[C@H](C)[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)N[C@@H](CCSC)C(=O)[O-] ZINC000008792098 569476331 /nfs/dbraw/zinc/47/63/31/569476331.db2.gz WHXAGDDFGNLCJU-QRTARXTBSA-N -1 0 447.561 2.303 50 0 biogenic IEAARM CSCC[C@@H](NC(=O)COc1ccc(C(=O)COc2ccccc2)c(O)c1)C(=O)[O-] ZINC000008917795 569486120 /nfs/dbraw/zinc/48/61/20/569486120.db2.gz QVUZLWZQJHSUOY-QGZVFWFLSA-N -1 0 433.482 2.355 50 0 biogenic IEAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)CCc1nc2ccccc2c(=O)n1C1CC1 ZINC000040162376 569495224 /nfs/dbraw/zinc/49/52/24/569495224.db2.gz LHMGBIQMCUMHQO-UHFFFAOYSA-N -1 0 449.463 2.172 50 0 IEAARM CN(c1nc2ccccc2nc1[N-]S(=O)(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000009090283 569500985 /nfs/dbraw/zinc/50/09/85/569500985.db2.gz QGEZAOGPXYWJLI-GFCCVEGCSA-N -1 0 438.556 2.115 50 0 IEAARM CC[C@@H](C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1)C(=O)[O-] ZINC000009184125 569509919 /nfs/dbraw/zinc/50/99/19/569509919.db2.gz QWAQVSQFHMTKIR-ABAIWWIYSA-N -1 0 440.547 2.429 50 0 IEAARM O=C([O-])c1ccccc1N[C@H]1SC(=O)N(CCN2C(=O)c3ccccc3C2=O)C1=O ZINC000009422361 569532844 /nfs/dbraw/zinc/53/28/44/569532844.db2.gz PBZDWGLJGMLVDZ-HNNXBMFYSA-N -1 0 425.422 2.114 50 0 IEAARM CC(=O)Nc1nc(SCC(=O)Nc2nccs2)[n-]c(=O)c1NC(=O)c1ccccc1 ZINC000009518254 569544037 /nfs/dbraw/zinc/54/40/37/569544037.db2.gz HSQQECRLNKYNGG-UHFFFAOYSA-N -1 0 444.498 2.168 50 0 IEAARM CSCC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)C(=O)[O-] ZINC000009537132 569545625 /nfs/dbraw/zinc/54/56/25/569545625.db2.gz LASPGCUIKGITES-CQSZACIVSA-N -1 0 434.967 2.451 50 0 IEAARM COc1ccc(Cl)cc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2 ZINC000009674880 569559210 /nfs/dbraw/zinc/55/92/10/569559210.db2.gz VUVKKZUXXQAZDA-IAGOWNOFSA-N -1 0 431.811 2.420 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)NCc4ccc(C)cc4)c=3c2=O)cc1Cl ZINC000009675097 569559271 /nfs/dbraw/zinc/55/92/71/569559271.db2.gz OVWBGISCGRDQHF-MOPGFXCFSA-N -1 0 441.875 2.267 50 0 IEAARM COc1ccc(-c2cc(C(=O)[O-])c3c(C)nn([C@H]4CCS(=O)(=O)C4)c3n2)cc1OC ZINC000009779468 569567369 /nfs/dbraw/zinc/56/73/69/569567369.db2.gz OZZBOWXJYDKECY-ZDUSSCGKSA-N -1 0 431.470 2.482 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(OC)c(Cl)c4)c=3c2=O)cc1 ZINC000010272387 569580176 /nfs/dbraw/zinc/58/01/76/569580176.db2.gz JEAMLODEPAPNNB-QZTJIDSGSA-N -1 0 443.847 2.289 50 0 IEAARM Nc1nc(SCC(=O)N2CCCc3ccccc32)[n-]c(=O)c1NC(=O)c1ccco1 ZINC000009599485 132236526 /nfs/dbraw/zinc/23/65/26/132236526.db2.gz FDPJGBKOBOMING-UHFFFAOYSA-N -1 0 425.470 2.269 50 0 IEAARM Cc1ccccc1S(=O)(=O)[N-]c1nc2ccccc2nc1N1CCC(C(N)=O)CC1 ZINC000003428714 132265399 /nfs/dbraw/zinc/26/53/99/132265399.db2.gz WSVXZZMICBJGOW-UHFFFAOYSA-N -1 0 425.514 2.441 50 0 IEAARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C1/C[C@H](c2ccc3c(c2)OCO3)NN1 ZINC000009348382 132314097 /nfs/dbraw/zinc/31/40/97/132314097.db2.gz OYYJVRXXXKTNCU-CLBVAXQTSA-N -1 0 426.816 2.145 50 0 IEAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=O)c4c(C)noc4C)CC3)cc21 ZINC000009723115 132327654 /nfs/dbraw/zinc/32/76/54/132327654.db2.gz WUYDMOOZCHPPNZ-UHFFFAOYSA-N -1 0 442.447 2.426 50 0 IEAARM CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000012631171 521742266 /nfs/dbraw/zinc/74/22/66/521742266.db2.gz OQZPYIQZJZSQSZ-HNNXBMFYSA-N -1 0 447.513 2.495 50 0 IEAARM COc1cc(C(=O)N/C(=C/c2ccc(F)cc2)C(=O)N[C@@H](C)C(=O)[O-])cc(OC)c1OC ZINC000012381008 522065394 /nfs/dbraw/zinc/06/53/94/522065394.db2.gz OMRSNRTZMWHYCR-RGZVIEDOSA-N -1 0 446.431 2.212 50 0 biogenic IEAARM COc1cc([C@H](c2sc3nc(C)nn3c2[O-])N2CCN(C)CC2)cc(OC)c1OC ZINC000022784298 522952986 /nfs/dbraw/zinc/95/29/86/522952986.db2.gz OPPMPUKWUNMSQB-MRXNPFEDSA-N -1 0 433.534 2.167 50 0 IEAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NCC(C)(C)N2CCOCC2)c1 ZINC000012520948 524645575 /nfs/dbraw/zinc/64/55/75/524645575.db2.gz CJBRQGNWEYPPQJ-UHFFFAOYSA-N -1 0 447.557 2.337 50 0 IEAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@@H]2CCCO2)cc1NC(C)=O ZINC000012561041 525089919 /nfs/dbraw/zinc/08/99/19/525089919.db2.gz ZDGQRMICEJSASQ-HNNXBMFYSA-N -1 0 447.513 2.363 50 0 IEAARM C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(C(=O)[O-])c(O)c3)c(Cl)c2)C1=O ZINC000041182037 525165201 /nfs/dbraw/zinc/16/52/01/525165201.db2.gz IZUWLNCQOXRJMZ-SECBINFHSA-N -1 0 438.845 2.309 50 0 IEAARM C[C@@H](NC(=O)[C@H](C)NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000012881617 525280968 /nfs/dbraw/zinc/28/09/68/525280968.db2.gz YFECGJUZJGVOSH-JKSUJKDBSA-N -1 0 447.532 2.049 50 0 biogenic IEAARM C[C@@H]1Oc2ccccc2N(CC(=O)Nc2ccc3nc([N-]S(C)(=O)=O)sc3c2)C1=O ZINC000021883095 525614611 /nfs/dbraw/zinc/61/46/11/525614611.db2.gz MSLYGNYFHPBFRL-NSHDSACASA-N -1 0 446.510 2.420 50 0 IEAARM O=S(=O)([N-]c1ccn(-c2ccccc2)n1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000012771907 527255298 /nfs/dbraw/zinc/25/52/98/527255298.db2.gz DJTHVVZEFCKHKQ-UHFFFAOYSA-N -1 0 432.527 2.458 50 0 IEAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000035655092 527258119 /nfs/dbraw/zinc/25/81/19/527258119.db2.gz SNWPOWGIBAZLNI-HNNXBMFYSA-N -1 0 443.529 2.397 50 0 IEAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)nc(OC)n1 ZINC000000671528 555531691 /nfs/dbraw/zinc/53/16/91/555531691.db2.gz BBTYOQQHTGLAOF-UHFFFAOYSA-N -1 0 428.470 2.476 50 0 IEAARM COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(S(=O)(=O)[N-]C(C)=O)cc1 ZINC000002999037 555877263 /nfs/dbraw/zinc/87/72/63/555877263.db2.gz JGIFACZMMNTNCE-UHFFFAOYSA-N -1 0 441.918 2.300 50 0 IEAARM CC(C)COc1ccc(-c2nnc(CCC(=O)NCCCN3CCOCC3)c(=O)[n-]2)cc1 ZINC000034763956 555905632 /nfs/dbraw/zinc/90/56/32/555905632.db2.gz OUSANQAKMDJKSZ-UHFFFAOYSA-N -1 0 443.548 2.050 50 0 IEAARM O=C(CS(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000006089014 556075988 /nfs/dbraw/zinc/07/59/88/556075988.db2.gz LRCPPSVQHHIGHS-UHFFFAOYSA-N -1 0 437.524 2.356 50 0 IEAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nccn3C)cc2)n1 ZINC000006296806 556084185 /nfs/dbraw/zinc/08/41/85/556084185.db2.gz AONPMFDUJIXQDP-UHFFFAOYSA-N -1 0 432.531 2.359 50 0 IEAARM COc1ccccc1NC(=O)CSc1nc(N)c(NC(=O)c2cccs2)c(=O)[n-]1 ZINC000002712447 556125609 /nfs/dbraw/zinc/12/56/09/556125609.db2.gz FPMDBDDUCPINDY-UHFFFAOYSA-N -1 0 431.499 2.405 50 0 IEAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3c(F)c(F)cc(F)c3F)c(=O)c1=2)Nc1cccc(F)c1 ZINC000002786925 556138804 /nfs/dbraw/zinc/13/88/04/556138804.db2.gz BODXOKUFFXGOPP-HOCLYGCPSA-N -1 0 439.300 2.314 50 0 IEAARM O=C([O-])c1ccc(C(=O)c2ccc3c(c2)C(=O)N(N2C(=O)c4ccccc4C2=O)C3=O)cc1 ZINC000002924909 556150605 /nfs/dbraw/zinc/15/06/05/556150605.db2.gz GAJXZCZNNXRPNL-UHFFFAOYSA-N -1 0 440.367 2.423 50 0 IEAARM O=C([O-])CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2c1-c1ccccc1C2=O ZINC000008790387 556215667 /nfs/dbraw/zinc/21/56/67/556215667.db2.gz PNGVZRNHKAANBJ-FQEVSTJZSA-N -1 0 428.444 2.440 50 0 biogenic IEAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1 ZINC000009190894 556253232 /nfs/dbraw/zinc/25/32/32/556253232.db2.gz JAIQEHCAYUCJON-CQSZACIVSA-N -1 0 449.916 2.465 50 0 IEAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)N3CCSCC3)cs2)cc1 ZINC000013691710 556281121 /nfs/dbraw/zinc/28/11/21/556281121.db2.gz KGFLCUYTHAPVNN-UHFFFAOYSA-N -1 0 440.572 2.020 50 0 IEAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C(=O)NC3Cc4ccccc4C3)cc2)no1 ZINC000013693187 556282621 /nfs/dbraw/zinc/28/26/21/556282621.db2.gz VXUIMUAQPKBLCV-UHFFFAOYSA-N -1 0 440.481 2.006 50 0 IEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000013814633 556313786 /nfs/dbraw/zinc/31/37/86/556313786.db2.gz SJQXXJXXLMEDFO-NGICGMGXSA-N -1 0 449.507 2.308 50 0 IEAARM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000010059753 556324475 /nfs/dbraw/zinc/32/44/75/556324475.db2.gz PGQGQUXCBJOPHP-UHFFFAOYSA-N -1 0 437.543 2.485 50 0 IEAARM COC(=O)[C@@H]1[C@H](OS(=O)(=O)[O-])CC[C@@H]2CN3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21 ZINC000013099323 556459850 /nfs/dbraw/zinc/45/98/50/556459850.db2.gz XBZJQPNSUUABAM-WCCTWHCSSA-N -1 0 434.514 2.474 50 0 IEAARM COC(=O)c1sc(NC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)c(C(=O)OC)c1C ZINC000013119959 556471988 /nfs/dbraw/zinc/47/19/88/556471988.db2.gz OTARPGGUQWCUKE-UHFFFAOYSA-N -1 0 426.472 2.449 50 0 IEAARM CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000013171264 556498575 /nfs/dbraw/zinc/49/85/75/556498575.db2.gz DWTJCYJLXLIWAN-LBPRGKRZSA-N -1 0 447.351 2.416 50 0 IEAARM Cc1cccc(-n2nnnc2SCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC000013394292 556504275 /nfs/dbraw/zinc/50/42/75/556504275.db2.gz QUOFYOAJNBEHBI-SFHVURJKSA-N -1 0 436.497 2.356 50 0 IEAARM Cc1ccc(-n2nnnc2SCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000013414999 556505179 /nfs/dbraw/zinc/50/51/79/556505179.db2.gz QOFQSKXFZLQGRX-GOSISDBHSA-N -1 0 436.497 2.356 50 0 IEAARM COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)cc(C)c2c1 ZINC000030947894 556517466 /nfs/dbraw/zinc/51/74/66/556517466.db2.gz VFJCASUZVNWMPN-UHFFFAOYSA-N -1 0 432.454 2.441 50 0 IEAARM CCOC(=O)N1CCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2ccccc2)CC1 ZINC000032961835 556579256 /nfs/dbraw/zinc/57/92/56/556579256.db2.gz LYZKFNPLODMPNM-UHFFFAOYSA-N -1 0 433.486 2.464 50 0 IEAARM CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)c(OCC(=O)[O-])c(OC)c1 ZINC000016448122 556608450 /nfs/dbraw/zinc/60/84/50/556608450.db2.gz ZSNQLGOZXUFSBA-AWEZNQCLSA-N -1 0 443.250 2.112 50 0 IEAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(-c2ccc(C)cc2)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000011795944 556657070 /nfs/dbraw/zinc/65/70/70/556657070.db2.gz SAFDZMLHIHHXHB-MRXNPFEDSA-N -1 0 449.558 2.359 50 0 IEAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cc(-c2ccccc2)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000011795936 556657206 /nfs/dbraw/zinc/65/72/06/556657206.db2.gz KLCLQTLAMNDMAT-OAHLLOKOSA-N -1 0 436.515 2.315 50 0 IEAARM O=C(c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1)N1CCNC(=O)C1 ZINC000033019825 556685098 /nfs/dbraw/zinc/68/50/98/556685098.db2.gz MUAUNKWIRCLDOM-UHFFFAOYSA-N -1 0 428.297 2.366 50 0 IEAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000019645506 556840056 /nfs/dbraw/zinc/84/00/56/556840056.db2.gz KSZHYBWATBTWMT-DCNYZXSGSA-N -1 0 446.978 2.371 50 0 IEAARM CCS(=O)(=O)Nc1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C(=O)[O-])c1 ZINC000033253065 556893324 /nfs/dbraw/zinc/89/33/24/556893324.db2.gz OHIKJESUUYMBPJ-UHFFFAOYSA-N -1 0 447.513 2.197 50 0 IEAARM CCCNC(=O)CN1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)CCC)ccc3n2)CC1 ZINC000033260617 556897308 /nfs/dbraw/zinc/89/73/08/556897308.db2.gz MCMUREVVUZMQRH-UHFFFAOYSA-N -1 0 441.532 2.320 50 0 IEAARM CCCNC(=O)CN1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)C(C)C)ccc3n2)CC1 ZINC000033260670 556897398 /nfs/dbraw/zinc/89/73/98/556897398.db2.gz XRMZGDWBIVVREN-UHFFFAOYSA-N -1 0 441.532 2.176 50 0 IEAARM Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(CN4CCOCC4)cc3)c(Cl)cc21 ZINC000020428120 557016276 /nfs/dbraw/zinc/01/62/76/557016276.db2.gz DXCCARMEKREDIF-UHFFFAOYSA-N -1 0 437.905 2.418 50 0 IEAARM NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 ZINC000022957358 557054520 /nfs/dbraw/zinc/05/45/20/557054520.db2.gz AUARQLZMZBFZJR-UHFFFAOYSA-N -1 0 439.280 2.439 50 0 IEAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CNC(=O)[C@@H]3C[C@H]3C)ccc2OC)cc1 ZINC000023189114 557072379 /nfs/dbraw/zinc/07/23/79/557072379.db2.gz QKSOEMGTOMMGMT-CXAGYDPISA-N -1 0 447.513 2.215 50 0 IEAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(F)c3)c(=O)c1=2)NC12CC3CC(CC(C3)C1)C2 ZINC000018162353 557244951 /nfs/dbraw/zinc/24/49/51/557244951.db2.gz RSKHFIQGQRMHLL-YHRPGYQTSA-N -1 0 425.464 2.204 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(Cl)ccc4OC)c=3c2=O)cc1 ZINC000101166117 557257956 /nfs/dbraw/zinc/25/79/56/557257956.db2.gz HLTLPJSXYXPNGE-MSOLQXFVSA-N -1 0 443.847 2.289 50 0 IEAARM COc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(Cl)c4)c(=O)c2=3)c1 ZINC000101168801 557258925 /nfs/dbraw/zinc/25/89/25/557258925.db2.gz HWVXWRSNFDDDHB-QZTJIDSGSA-N -1 0 443.847 2.289 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Cl)cc4)c=3c2=O)cc1OC ZINC000101169807 557259414 /nfs/dbraw/zinc/25/94/14/557259414.db2.gz QXTDQFHPEQLLPL-QZTJIDSGSA-N -1 0 443.847 2.289 50 0 IEAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)c(OC)c1 ZINC000101387262 557282130 /nfs/dbraw/zinc/28/21/30/557282130.db2.gz XNLBAXWRHRTOHM-ZWKOTPCHSA-N -1 0 443.847 2.289 50 0 IEAARM CCc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(OC)c(OC)c3)c(=O)c1=2 ZINC000101390286 557282961 /nfs/dbraw/zinc/28/29/61/557282961.db2.gz DIRDPAIJOOFMAI-UXHICEINSA-N -1 0 437.456 2.198 50 0 IEAARM COc1ccccc1[C@@H]1CC(c2c(=O)[nH]c(=O)n(C3CCCCC3)c2[O-])=NN1C(C)=O ZINC000101456791 557287270 /nfs/dbraw/zinc/28/72/70/557287270.db2.gz GIPGWZUWNIOEQT-KRWDZBQOSA-N -1 0 426.473 2.454 50 0 IEAARM CCC(=O)N1N=C(c2c([O-])n(C)c(=S)n(C)c2=O)C[C@@H]1c1cc(OC)ccc1OC ZINC000101494715 557288530 /nfs/dbraw/zinc/28/85/30/557288530.db2.gz MEBLTNOIAXATGZ-CQSZACIVSA-N -1 0 432.502 2.264 50 0 IEAARM CCOC(=O)C(C=Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1)C(=O)OCC ZINC000101360625 557291773 /nfs/dbraw/zinc/29/17/73/557291773.db2.gz NGBKYDOFOAQVTL-UHFFFAOYSA-N -1 0 448.501 2.316 50 0 IEAARM COc1ccc(OC)c([C@@H]2CC(c3c([O-])[nH]c(=O)n(-c4cccc(Cl)c4)c3=O)=NN2)c1 ZINC000101763091 557297603 /nfs/dbraw/zinc/29/76/03/557297603.db2.gz GHLCFEDGRJLZQN-HNNXBMFYSA-N -1 0 442.859 2.341 50 0 IEAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3c(F)c(F)cc(F)c3F)c(=O)c1=2)Nc1cccc(F)c1 ZINC000102001381 557311611 /nfs/dbraw/zinc/31/16/11/557311611.db2.gz BODXOKUFFXGOPP-ZBFHGGJFSA-N -1 0 439.300 2.314 50 0 IEAARM CC1(C)c2cc(S(=O)(=O)[N-]c3nccc(-n4nnc5ccccc54)n3)ccc2NC1=O ZINC000225465609 557725862 /nfs/dbraw/zinc/72/58/62/557725862.db2.gz RZBIKWQQEMAXDC-UHFFFAOYSA-N -1 0 435.469 2.241 50 0 IEAARM COC(=O)N1CCN(c2ccncc2[N-]S(=O)(=O)c2cc(C)c(OC)cc2C)CC1 ZINC000225743701 557771831 /nfs/dbraw/zinc/77/18/31/557771831.db2.gz WGCFJJUNUNFFCF-UHFFFAOYSA-N -1 0 434.518 2.396 50 0 IEAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccco3)cc2)ncn1 ZINC000002371503 562927178 /nfs/dbraw/zinc/92/71/78/562927178.db2.gz IJXVMESYMSVXMF-UHFFFAOYSA-N -1 0 433.471 2.006 50 0 IEAARM O=S(=O)([O-])CCCSc1sc2ccc(Cl)cc2[n+]1CCCS(=O)(=O)[O-] ZINC000002895869 562930437 /nfs/dbraw/zinc/93/04/37/562930437.db2.gz WMWBBWXKVNVBAW-UHFFFAOYSA-O -1 0 447.001 2.490 50 0 IEAARM COCCn1c(=O)c2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2[n-]c1=S ZINC000003051743 562932316 /nfs/dbraw/zinc/93/23/16/562932316.db2.gz OIVBSYHOGNWSHN-UHFFFAOYSA-N -1 0 442.516 2.433 50 0 IEAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3cnc4n(c3=O)CCS4)cc2)c1C ZINC000004001692 562940567 /nfs/dbraw/zinc/94/05/67/562940567.db2.gz AKMSPRLGQRTZGS-UHFFFAOYSA-N -1 0 447.498 2.007 50 0 IEAARM CCOC(=O)[C@H](CC)Sc1nc(N)c(NC(=O)c2ccc(OC)c(OC)c2)c(=O)[n-]1 ZINC000008584035 562949922 /nfs/dbraw/zinc/94/99/22/562949922.db2.gz KKPDZSCCTNYEDQ-ZDUSSCGKSA-N -1 0 436.490 2.055 50 0 IEAARM COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)[O-])cc1OC ZINC000009611545 562974098 /nfs/dbraw/zinc/97/40/98/562974098.db2.gz KPPCSPKXELFZMK-UHFFFAOYSA-N -1 0 434.470 2.259 50 0 IEAARM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)c(F)cc1Br ZINC000083891638 568784963 /nfs/dbraw/zinc/78/49/63/568784963.db2.gz FROLTXGUICDLSH-UHFFFAOYSA-N -1 0 431.239 2.275 50 0 IEAARM Cc1c(Br)cc(C(=O)[O-])cc1S(=O)(=O)N(C)c1ccccc1C(N)=O ZINC000084028331 568789974 /nfs/dbraw/zinc/78/99/74/568789974.db2.gz QVBUTNXLECKAIH-UHFFFAOYSA-N -1 0 427.276 2.380 50 0 IEAARM O=C([O-])c1cccc(S(=O)(=O)Nc2cc(S(=O)(=O)NC3CC3)c(Cl)cc2F)c1 ZINC000084380064 568797616 /nfs/dbraw/zinc/79/76/16/568797616.db2.gz ZTSGDWPCWOYNSU-UHFFFAOYSA-N -1 0 448.881 2.419 50 0 IEAARM CCOC(=O)C(C)(C)n1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)cn1 ZINC000084791159 568801549 /nfs/dbraw/zinc/80/15/49/568801549.db2.gz TWNMNPZHHPJKBX-ZDUSSCGKSA-N -1 0 434.518 2.280 50 0 IEAARM CC[C@H](C)[C@H](NC(=O)[C@@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N[C@@H](C)C(=O)[O-] ZINC000015967787 568861296 /nfs/dbraw/zinc/86/12/96/568861296.db2.gz HORMGZBYZMQGQC-SXYSGAINSA-N -1 0 447.557 2.155 50 0 IEAARM Nc1nc(SCC(=O)NCCc2ccccc2)[n-]c(=O)c1NC(=O)c1cccs1 ZINC000009599483 568884171 /nfs/dbraw/zinc/88/41/71/568884171.db2.gz BEKZUMWOYPODID-UHFFFAOYSA-N -1 0 429.527 2.117 50 0 IEAARM O=C([N-]S(=O)(=O)c1ccccc1Cl)N[C@]1(C(F)(F)F)C(=O)O[C@@H]2CCC[C@H]21 ZINC000245236952 568913103 /nfs/dbraw/zinc/91/31/03/568913103.db2.gz XBANLHASJIBGNH-PWZJLYFZSA-N -1 0 426.800 2.355 50 0 IEAARM O=c1c2[n-][nH]n(Cc3nc(-c4ccc5c(c4)OCO5)no3)c=2c(=O)n1-c1cccc(F)c1 ZINC000064565338 568932295 /nfs/dbraw/zinc/93/22/95/568932295.db2.gz ONFKLWCCCNVMKY-IAGOWNOFSA-N -1 0 436.359 2.098 50 0 IEAARM COc1ccc(-c2nnc(-c3ccc(C)c(S(=O)(=O)N[C@@H](C)C(=O)[O-])c3)o2)cc1OC ZINC000064988045 569082832 /nfs/dbraw/zinc/08/28/32/569082832.db2.gz RZTHMOATHSKRGQ-LBPRGKRZSA-N -1 0 447.469 2.481 50 0 IEAARM O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(Cc3ccccn3)CC2)c2ccc(F)cc21 ZINC000036353681 569084078 /nfs/dbraw/zinc/08/40/78/569084078.db2.gz SLYBPTRMKSFDHF-NRFANRHFSA-N -1 0 426.448 2.204 50 0 IEAARM Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CC(=O)NCC(=O)NCC(=O)[O-])c(=O)oc12 ZINC000002112587 569182079 /nfs/dbraw/zinc/18/20/79/569182079.db2.gz SILHGXVNZDDHMM-UHFFFAOYSA-N -1 0 442.468 2.313 50 0 biogenic IEAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCC(=O)NCC(=O)[O-])occ3-c1ccccc1 ZINC000002155712 569187588 /nfs/dbraw/zinc/18/75/88/569187588.db2.gz IGVDLVQXTAYIKX-UHFFFAOYSA-N -1 0 448.431 2.374 50 0 biogenic IEAARM COc1cc(OC)c2c(C)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)[O-])c(=O)oc2c1 ZINC000002158839 569187691 /nfs/dbraw/zinc/18/76/91/569187691.db2.gz IJQAXLCLPDDROA-KRWDZBQOSA-N -1 0 441.436 2.179 50 0 biogenic IEAARM CC[C@@H](C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000252695007 569210989 /nfs/dbraw/zinc/21/09/89/569210989.db2.gz SZPHHKGIDOFWOT-HHARLNAUSA-N -1 0 441.569 2.438 50 0 biogenic IEAARM COCCOc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)ccn1 ZINC000253471949 569282712 /nfs/dbraw/zinc/28/27/12/569282712.db2.gz GSIJWRXYJQXLBT-UHFFFAOYSA-N -1 0 443.485 2.258 50 0 IEAARM CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c1 ZINC000328590294 569316810 /nfs/dbraw/zinc/31/68/10/569316810.db2.gz DANBCOZSIWIDHG-LBPRGKRZSA-N -1 0 442.925 2.479 50 0 IEAARM CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c1 ZINC000328590293 569316858 /nfs/dbraw/zinc/31/68/58/569316858.db2.gz DANBCOZSIWIDHG-GFCCVEGCSA-N -1 0 442.925 2.479 50 0 IEAARM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cc(Br)ccc3S(N)(=O)=O)ccc2O1 ZINC000328594061 569317569 /nfs/dbraw/zinc/31/75/69/569317569.db2.gz MSYZDLBIHAQEPG-VIFPVBQESA-N -1 0 447.332 2.221 50 0 IEAARM CN(CCC[N-]S(=O)(=O)c1c(F)cccc1F)S(=O)(=O)c1c(F)cccc1F ZINC000079048777 569323271 /nfs/dbraw/zinc/32/32/71/569323271.db2.gz YEJRFJFUDZVHQA-UHFFFAOYSA-N -1 0 440.440 2.232 50 0 IEAARM O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000095405435 569364487 /nfs/dbraw/zinc/36/44/87/569364487.db2.gz JCYNNQKJFYHILY-UHFFFAOYSA-N -1 0 431.392 2.136 50 0 IEAARM CCNS(=O)(=O)c1ccc(F)c(C(=O)N(CCOCC)Cc2ccc(C(=O)[O-])o2)c1 ZINC000095424550 569365842 /nfs/dbraw/zinc/36/58/42/569365842.db2.gz FHSFIRJOVBPLDA-UHFFFAOYSA-N -1 0 442.465 2.094 50 0 IEAARM O=c1ccc(-n2ccc3ccccc32)nn1CC[N-]S(=O)(=O)c1c(F)cccc1F ZINC000096097976 569381580 /nfs/dbraw/zinc/38/15/80/569381580.db2.gz DCCVEDSUMZQEJW-UHFFFAOYSA-N -1 0 430.436 2.444 50 0 IEAARM COC(=O)C[C@@H](c1cc2c(c(OC)c1)OCO2)c1c([O-])nc2ccc(Cl)cn2c1=O ZINC000096113719 569382532 /nfs/dbraw/zinc/38/25/32/569382532.db2.gz STUQTWAGPQCBNK-LBPRGKRZSA-N -1 0 432.816 2.486 50 0 biogenic IEAARM COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1c([O-])nc2ccc(C)cn2c1=O ZINC000096114605 569382862 /nfs/dbraw/zinc/38/28/62/569382862.db2.gz AMVYZXKXKLLWBO-CQSZACIVSA-N -1 0 428.441 2.429 50 0 biogenic IEAARM COc1ccc(CNC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(F)cc2)c(OC)c1 ZINC000096361291 569397790 /nfs/dbraw/zinc/39/77/90/569397790.db2.gz WMLARHAHEDDTHS-UHFFFAOYSA-N -1 0 434.449 2.297 50 0 IEAARM Cc1cccc(N2CCN(C(=O)c3snc4c3nc([O-])n(C3CC3)c4=O)CC2)c1C ZINC000096396710 569399111 /nfs/dbraw/zinc/39/91/11/569399111.db2.gz YEDIEWAEEBLQEE-UHFFFAOYSA-N -1 0 425.514 2.473 50 0 IEAARM O=C([N-]S(=O)(=O)c1ccccc1Cl)N[C@]1(C(F)(F)F)C(=O)O[C@@H]2CCC[C@@H]21 ZINC000002492088 569405412 /nfs/dbraw/zinc/40/54/12/569405412.db2.gz XBANLHASJIBGNH-HNXYLICVSA-N -1 0 426.800 2.355 50 0 IEAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc(O[C@@H]2CCOC2)nc1 ZINC000225708627 569407314 /nfs/dbraw/zinc/40/73/14/569407314.db2.gz GIJXAYHFAKJKDT-MRXNPFEDSA-N -1 0 441.469 2.092 50 0 IEAARM CCC(CC)C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nnc(C)s3)CS[C@@H]12 ZINC000002805505 569422631 /nfs/dbraw/zinc/42/26/31/569422631.db2.gz PQSBHRORRXNBDK-ABAIWWIYSA-N -1 0 442.588 2.113 50 0 IEAARM CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CSc1n[nH]c(=O)[n-]c1=O ZINC000003225403 569442153 /nfs/dbraw/zinc/44/21/53/569442153.db2.gz WBUUZHUUQRNDSO-UHFFFAOYSA-N -1 0 432.483 2.094 50 0 IEAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1 ZINC000032095512 569459853 /nfs/dbraw/zinc/45/98/53/569459853.db2.gz USIWNDXCNMTDHM-HNNXBMFYSA-N -1 0 449.916 2.152 50 0 IEAARM CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCC(C(=O)N[C@H](C)C(=O)[O-])CC1 ZINC000008790110 569476012 /nfs/dbraw/zinc/47/60/12/569476012.db2.gz OBTZKGKFJMXNSU-VXLLPVPCSA-N -1 0 441.569 2.438 50 0 IEAARM CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)[O-] ZINC000008790370 569476057 /nfs/dbraw/zinc/47/60/57/569476057.db2.gz FIRAKOBZCZTWHB-DKIXSGTJSA-N -1 0 447.557 2.155 50 0 biogenic IEAARM CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N[C@@H](C)C(=O)[O-] ZINC000008791119 569476173 /nfs/dbraw/zinc/47/61/73/569476173.db2.gz HORMGZBYZMQGQC-XLSMTSSISA-N -1 0 447.557 2.155 50 0 biogenic IEAARM Cc1coc2c1cc1c(C)c(CC(=O)N[C@H](C)C(=O)NCCCC(=O)[O-])c(=O)oc1c2C ZINC000008791833 569476254 /nfs/dbraw/zinc/47/62/54/569476254.db2.gz AVWHAXHQKMLLCM-CQSZACIVSA-N -1 0 442.468 2.493 50 0 biogenic IEAARM CSCC[C@@H](NC(=O)CCCCCNC(=O)N1CCn2c3ccccc3nc21)C(=O)[O-] ZINC000008792081 569476320 /nfs/dbraw/zinc/47/63/20/569476320.db2.gz HCWIYMYDYVRPTH-MRXNPFEDSA-N -1 0 447.561 2.449 50 0 biogenic IEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc2c(c1)OCO2 ZINC000040309141 569498700 /nfs/dbraw/zinc/49/87/00/569498700.db2.gz ZMBCYVCMEXUSQR-LAUBAEHRSA-N -1 0 434.452 2.491 50 0 biogenic IEAARM NC(=O)NCCC[C@@H](NC(=O)Cn1ccc2ccc(OCc3ccccc3)cc21)C(=O)[O-] ZINC000040312839 569498896 /nfs/dbraw/zinc/49/88/96/569498896.db2.gz JNRFZDKHNLKWJT-LJQANCHMSA-N -1 0 438.484 2.238 50 0 biogenic IEAARM CN(c1nc2ccccc2nc1[N-]S(=O)(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000009090284 569500969 /nfs/dbraw/zinc/50/09/69/569500969.db2.gz QGEZAOGPXYWJLI-LBPRGKRZSA-N -1 0 438.556 2.115 50 0 IEAARM O=C(CCNC(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000009130226 569505996 /nfs/dbraw/zinc/50/59/96/569505996.db2.gz LBVDBIXNHAJMGF-UHFFFAOYSA-N -1 0 425.470 2.036 50 0 IEAARM COc1cccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2cccnc2)c1OC ZINC000245391899 569506190 /nfs/dbraw/zinc/50/61/90/569506190.db2.gz NJLHMMFSBDAMBF-QWQRMKEZSA-N -1 0 425.363 2.203 50 0 IEAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009495759 569541034 /nfs/dbraw/zinc/54/10/34/569541034.db2.gz CBIMOLMBNGCYML-FQEVSTJZSA-N -1 0 441.509 2.378 50 0 IEAARM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)c(OC)c1 ZINC000009572694 569547851 /nfs/dbraw/zinc/54/78/51/569547851.db2.gz WZNZFEGDHFASJY-UHFFFAOYSA-N -1 0 449.510 2.365 50 0 IEAARM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C3=NNC(=O)CC3)ccc2OC)cc1 ZINC000009631481 569553757 /nfs/dbraw/zinc/55/37/57/569553757.db2.gz VRLSEDLTVGHZHZ-UHFFFAOYSA-N -1 0 446.485 2.099 50 0 IEAARM O=S(=O)([N-]c1nc2ccccc2nc1N1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000009664437 569557432 /nfs/dbraw/zinc/55/74/32/569557432.db2.gz SIBMXYCSXOHGDK-UHFFFAOYSA-N -1 0 428.470 2.038 50 0 IEAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)c(OC)c1 ZINC000009674535 569559201 /nfs/dbraw/zinc/55/92/01/569559201.db2.gz XNLBAXWRHRTOHM-QZTJIDSGSA-N -1 0 443.847 2.289 50 0 IEAARM COc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(Cl)c3)c(=O)c1=2 ZINC000009675340 569559285 /nfs/dbraw/zinc/55/92/85/569559285.db2.gz FHROQQARBOWTOR-SJORKVTESA-N -1 0 431.811 2.420 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(C)cc(C)c4)c=3c2=O)cc1OC ZINC000009675621 569559342 /nfs/dbraw/zinc/55/93/42/569559342.db2.gz UDNXBXNJAZEGAE-WOJBJXKFSA-N -1 0 437.456 2.253 50 0 IEAARM CCOc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(C)ccc4OC)c=3c2=O)cc1 ZINC000009836021 569570669 /nfs/dbraw/zinc/57/06/69/569570669.db2.gz YZXYSLKFLCWUNL-WOJBJXKFSA-N -1 0 437.456 2.334 50 0 IEAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2cccn(Cc3ccccc3C)c2=O)cc1 ZINC000010187758 569578707 /nfs/dbraw/zinc/57/87/07/569578707.db2.gz QYLFRILHBJTMSQ-UHFFFAOYSA-N -1 0 439.493 2.282 50 0 IEAARM NC(=O)c1nc(-c2cc(Br)ccc2[O-])nc2c1[nH]c(=O)n2-c1ccccc1F ZINC000010187991 569578756 /nfs/dbraw/zinc/57/87/56/569578756.db2.gz SJTUTSUJWTXJTC-UHFFFAOYSA-N -1 0 444.220 2.482 50 0 IEAARM C[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC1CC1 ZINC000010210895 569578989 /nfs/dbraw/zinc/57/89/89/569578989.db2.gz HZYQYMOHNFPOBV-CYBMUJFWSA-N -1 0 446.481 2.083 50 0 IEAARM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3CCC(=O)N2CCCC2)nc1 ZINC000035503470 569584208 /nfs/dbraw/zinc/58/42/08/569584208.db2.gz FTDMFWWVDIDPHJ-UHFFFAOYSA-N -1 0 446.554 2.580 50 0 IEAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N4CCCC4)nn3)cc2)n1 ZINC000077099883 569585271 /nfs/dbraw/zinc/58/52/71/569585271.db2.gz KQQGYFHPUUNIGH-UHFFFAOYSA-N -1 0 439.501 2.228 50 0 IEAARM CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)Nc4ccccc4)CC3)nc21 ZINC000002341581 132252502 /nfs/dbraw/zinc/25/25/02/132252502.db2.gz ARGUMDNARGOSPU-UHFFFAOYSA-N -1 0 438.513 2.029 50 0 IEAARM CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N[C@H](C)C(=O)[O-] ZINC000012884274 519392569 /nfs/dbraw/zinc/39/25/69/519392569.db2.gz VIABPXCUXYVHTH-NXOXCILZSA-N -1 0 447.557 2.155 50 0 biogenic IEAARM 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440.424 2.025 50 0 IEAARM Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C4CCC(CC4)[C@H]3C(=O)[O-])CC2)cc1C ZINC000017099020 556664004 /nfs/dbraw/zinc/66/40/04/556664004.db2.gz FZACPAHLSHTZRZ-ZYKFHVCXSA-N -1 0 434.558 2.273 50 0 IEAARM CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])CC2)cc1 ZINC000017099037 556664235 /nfs/dbraw/zinc/66/42/35/556664235.db2.gz DNTFPTIGMFWUIH-MOPGFXCFSA-N -1 0 434.558 2.484 50 0 IEAARM COc1cc2oc(=O)c(CC(=O)N[C@H](Cc3ccc(O)cc3)C(=O)[O-])c(C)c2cc1OC ZINC000011865469 556665197 /nfs/dbraw/zinc/66/51/97/556665197.db2.gz JCQZIXYSTBCDCD-QGZVFWFLSA-N -1 0 441.436 2.179 50 0 IEAARM O=C1[N-]N(c2ccc(I)cc2)C(=O)/C1=C/c1ccc2c(c1)OCO2 ZINC000000677034 556682147 /nfs/dbraw/zinc/68/21/47/556682147.db2.gz UECJMOXJMPKBFB-NTUHNPAUSA-N -1 0 434.189 2.481 50 0 IEAARM COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000002103951 556686157 /nfs/dbraw/zinc/68/61/57/556686157.db2.gz VCAZERSLRQBALC-ITICKHJUSA-N -1 0 446.463 2.004 50 0 IEAARM 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CJXHCYYRJZLNKV-YPMHNXCESA-N -1 0 432.317 2.234 50 0 IEAARM CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])ccc1OC ZINC000225483185 557728287 /nfs/dbraw/zinc/72/82/87/557728287.db2.gz DTIXMFIRJXEXCQ-CVEARBPZSA-N -1 0 426.535 2.489 50 0 IEAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](C)c2nncn2C)ccc1C ZINC000225579187 557746082 /nfs/dbraw/zinc/74/60/82/557746082.db2.gz RRXKVOUNZURDRW-OAHLLOKOSA-N -1 0 443.529 2.466 50 0 IEAARM O=C(CSc1n[nH]c(=O)[n-]c1=O)Nc1ccc(Br)cc1Br ZINC000003261361 562933478 /nfs/dbraw/zinc/93/34/78/562933478.db2.gz ZMWXVQNXAOMEIK-UHFFFAOYSA-N -1 0 436.085 2.126 50 0 IEAARM CCOc1nc(NC(=O)[N-]S(=O)(=O)c2ccc(OC)cc2)nc(-c2ccccc2)n1 ZINC000001075210 568656725 /nfs/dbraw/zinc/65/67/25/568656725.db2.gz CUMBYBWXYANSII-UHFFFAOYSA-N -1 0 429.458 2.456 50 0 IEAARM COc1ccc(OC)c([C@@H](C)NC(=O)COC(=O)c2ccccc2[N-]S(C)(=O)=O)c1 ZINC000019181020 568783427 /nfs/dbraw/zinc/78/34/27/568783427.db2.gz RWNOACOMIAITEU-CYBMUJFWSA-N -1 0 436.486 2.110 50 0 IEAARM O=C(Oc1ccc(-n2cnnn2)cc1)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000084392545 568797621 /nfs/dbraw/zinc/79/76/21/568797621.db2.gz OQCIILSPRPDTNR-UHFFFAOYSA-N -1 0 428.455 2.139 50 0 IEAARM CC(=O)N1N=C(c2c([O-])[nH]c(=O)n(-c3cccc(Cl)c3)c2=O)C[C@H]1c1ccc(O)cc1 ZINC000101456124 568837924 /nfs/dbraw/zinc/83/79/24/568837924.db2.gz VIMKQPFYWGCRBV-KRWDZBQOSA-N -1 0 440.843 2.288 50 0 IEAARM CCCCc1cc(=O)oc2cc(OCC(=O)NCC(=O)N[C@@H](C(=O)[O-])[C@@H](C)CC)ccc12 ZINC000015955496 568859619 /nfs/dbraw/zinc/85/96/19/568859619.db2.gz BSVYXBFIVHCHTL-RCDICMHDSA-N -1 0 446.500 2.246 50 0 IEAARM O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3[C@@H]4c3cccs3)[C@@H]2C1=O ZINC000245234767 568913036 /nfs/dbraw/zinc/91/30/36/568913036.db2.gz DVRQTSNAVXBUAN-AVMDWVFKSA-N -1 0 448.547 2.056 50 0 IEAARM O=C([O-])c1ccc(C=NNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000252595866 568925924 /nfs/dbraw/zinc/92/59/24/568925924.db2.gz CEQHJTXSEMZZGM-KRWDZBQOSA-N -1 0 435.889 2.342 50 0 IEAARM COc1ccc2c(c1)c([C@H](C(=O)[O-])[NH+]1CCN(Cc3ccncc3)CC1)cn2CC(=O)[O-] ZINC000036354222 569084237 /nfs/dbraw/zinc/08/42/37/569084237.db2.gz HYBOBAWSGCSYKH-JOCHJYFZSA-N -1 0 438.484 2.073 50 0 IEAARM COc1ccc2c(c1)c([C@@H](C(=O)[O-])[NH+]1CCN(Cc3cccnc3)CC1)cn2CC(=O)[O-] ZINC000036357909 569084832 /nfs/dbraw/zinc/08/48/32/569084832.db2.gz HCBWUYKZLVFRCR-QFIPXVFZSA-N -1 0 438.484 2.073 50 0 IEAARM O=C([O-])CCn1cc([C@@H](C(=O)[O-])[N@@H+]2CCCN(c3ncccn3)CC2)c2ccc(F)cc21 ZINC000036367335 569087467 /nfs/dbraw/zinc/08/74/67/569087467.db2.gz BRSMVDUDBLLSLU-FQEVSTJZSA-N -1 0 441.463 2.383 50 0 IEAARM O=C(c1nc(-c2csc(S(=O)(=O)[N-]c3ccccc3F)c2)no1)N1CCOCC1 ZINC000065097512 569103783 /nfs/dbraw/zinc/10/37/83/569103783.db2.gz IEXSCMJNLUDNOS-UHFFFAOYSA-N -1 0 438.462 2.210 50 0 IEAARM Cc1c(C)[n+]([O-])c([C@H](c2ccco2)c2c([O-])n(C)c(=O)n(C)c2=O)n1Cc1ccccc1 ZINC000524735130 569127976 /nfs/dbraw/zinc/12/79/76/569127976.db2.gz XSDSXBYTCWGADT-GOSISDBHSA-N -1 0 436.468 2.178 50 0 IEAARM O=C(c1oc2ccccc2c1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCOCC1 ZINC000009881816 569149497 /nfs/dbraw/zinc/14/94/97/569149497.db2.gz ONGHFBQJDFTTTO-UHFFFAOYSA-N -1 0 444.465 2.477 50 0 IEAARM Cc1c2ccc(O)cc2oc(=O)c1CC(=O)N[C@H](Cc1c[nH]c2ccc(O)cc12)C(=O)[O-] ZINC000002130445 569184907 /nfs/dbraw/zinc/18/49/07/569184907.db2.gz GRTGILMUNLVPMB-LJQANCHMSA-N -1 0 436.420 2.349 50 0 biogenic IEAARM COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccs2)cc1 ZINC000002272920 569217786 /nfs/dbraw/zinc/21/77/86/569217786.db2.gz GIPCLCHXOUJZPF-UHFFFAOYSA-N -1 0 449.539 2.474 50 0 IEAARM COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000009972953 569298829 /nfs/dbraw/zinc/29/88/29/569298829.db2.gz IIGIDKIMMRFTQR-UHFFFAOYSA-N -1 0 447.806 2.255 50 0 IEAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000013032930 569307474 /nfs/dbraw/zinc/30/74/74/569307474.db2.gz MZKAQDDHDIKWAO-GOSISDBHSA-N -1 0 434.514 2.054 50 0 IEAARM O=C(CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)Nc1ccccn1 ZINC000079111971 569326227 /nfs/dbraw/zinc/32/62/27/569326227.db2.gz BDZZJPWSPCWPPX-UHFFFAOYSA-N -1 0 428.445 2.390 50 0 IEAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)N4CCC(C(N)=O)CC4)c3=O)c2c1 ZINC000020330621 569360843 /nfs/dbraw/zinc/36/08/43/569360843.db2.gz LNJIJUJBGXPQSP-UHFFFAOYSA-N -1 0 443.529 2.053 50 0 IEAARM O=C(NCCCOC[C@H]1CCCO1)c1cc(S(=O)(=O)NCc2ccccc2)ccc1[O-] ZINC000095406694 569364807 /nfs/dbraw/zinc/36/48/07/569364807.db2.gz QYLZIXGYNBAVQD-GOSISDBHSA-N -1 0 448.541 2.186 50 0 IEAARM O=C([O-])c1cccc(S(=O)(=O)Nc2cc3c(cc2Br)NC(=O)CO3)c1 ZINC000095409485 569365193 /nfs/dbraw/zinc/36/51/93/569365193.db2.gz FCUBOWHUZUFBAM-UHFFFAOYSA-N -1 0 427.232 2.279 50 0 IEAARM CS(=O)(=O)c1ccc(-c2cnc(CCC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])o2)cc1 ZINC000095424036 569365750 /nfs/dbraw/zinc/36/57/50/569365750.db2.gz PBUHBLILJHBHNV-SFHVURJKSA-N -1 0 442.493 2.490 50 0 IEAARM CC(C)(C)c1ncsc1C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1 ZINC000095463909 569370409 /nfs/dbraw/zinc/37/04/09/569370409.db2.gz ZZIZAUQUUSSGQX-UHFFFAOYSA-N -1 0 443.572 2.347 50 0 IEAARM COC(=O)c1ccc(OC)c(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c1 ZINC000095481470 569374061 /nfs/dbraw/zinc/37/40/61/569374061.db2.gz ICXKDMNISLCUNS-IRXDYDNUSA-N -1 0 430.367 2.253 50 0 IEAARM Cn1cc([N-]S(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2Br)c(C(F)(F)F)n1 ZINC000095939642 569375233 /nfs/dbraw/zinc/37/52/33/569375233.db2.gz VMDNTSRSINHAON-UHFFFAOYSA-N -1 0 440.201 2.172 50 0 IEAARM O=C([O-])CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1ccc(Br)s1)C(=O)N2 ZINC000096129877 569385860 /nfs/dbraw/zinc/38/58/60/569385860.db2.gz GTQHDDGPIFQOAP-WZUFQYTHSA-N -1 0 443.300 2.366 50 0 IEAARM CC[C@H](C)NS(=O)(=O)c1cc(NC(=O)C2CC2)ccc1Oc1cc(C(=O)[O-])nn1C ZINC000096317636 569393597 /nfs/dbraw/zinc/39/35/97/569393597.db2.gz SHXYXRCPDSQWSH-NSHDSACASA-N -1 0 436.490 2.336 50 0 IEAARM CCOC(=O)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)cc1 ZINC000096319788 569393943 /nfs/dbraw/zinc/39/39/43/569393943.db2.gz NMBSPNKPRFSHMZ-PMACEKPBSA-N -1 0 449.467 2.412 50 0 IEAARM COc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(Cl)c3)c(=O)c1=2 ZINC000096319793 569393978 /nfs/dbraw/zinc/39/39/78/569393978.db2.gz FHROQQARBOWTOR-IAGOWNOFSA-N -1 0 431.811 2.420 50 0 IEAARM COc1ccc(CNC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(F)cc2)cc1OC ZINC000096361292 569397732 /nfs/dbraw/zinc/39/77/32/569397732.db2.gz JBNUNAAQNSBQJO-UHFFFAOYSA-N -1 0 434.449 2.297 50 0 IEAARM COc1cc(OC)nc([N-]S(=O)(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)n1 ZINC000334162576 569402214 /nfs/dbraw/zinc/40/22/14/569402214.db2.gz ASCJUKBRMXIBEW-UHFFFAOYSA-N -1 0 440.437 2.095 50 0 IEAARM COC(=O)c1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1CCC(=O)[O-] ZINC000002932347 569426132 /nfs/dbraw/zinc/42/61/32/569426132.db2.gz UNXMIOVSNDJGDP-UHFFFAOYSA-N -1 0 447.494 2.450 50 0 IEAARM CS(=O)(=O)N1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(OCc4ccccc4)cc32)CC1 ZINC000032097046 569459989 /nfs/dbraw/zinc/45/99/89/569459989.db2.gz MOYTUWNJMLZOOD-NRFANRHFSA-N -1 0 443.525 2.450 50 0 IEAARM Cc1ccc(N2C(=O)[N-]C(=O)C(=C(NCCc3c[nH]cn3)Nc3ccccc3)C2=O)cc1 ZINC000008775438 569475332 /nfs/dbraw/zinc/47/53/32/569475332.db2.gz GIRNSHRUXRMWEU-VXPUYCOJSA-N -1 0 430.468 2.457 50 0 IEAARM CC(C)C[C@H](NC(=O)C1CCC(CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000008791106 569476164 /nfs/dbraw/zinc/47/61/64/569476164.db2.gz KPZYKZKTIXZRHP-VXLLPVPCSA-N -1 0 441.569 2.438 50 0 IEAARM CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N1CCn2c3ccccc3nc21)C(=O)[O-] ZINC000008792084 569476297 /nfs/dbraw/zinc/47/62/97/569476297.db2.gz NWUYEHNODHAUEA-HOTGVXAUSA-N -1 0 447.561 2.303 50 0 biogenic IEAARM CSCC[C@H](NC(=O)CCCCCNC(=O)N1CCn2c3ccccc3nc21)C(=O)[O-] ZINC000008792105 569476307 /nfs/dbraw/zinc/47/63/07/569476307.db2.gz HCWIYMYDYVRPTH-INIZCTEOSA-N -1 0 447.561 2.449 50 0 biogenic IEAARM CCN(CC)C(=O)Cc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1 ZINC000040074750 569486343 /nfs/dbraw/zinc/48/63/43/569486343.db2.gz CKHRIOMFRSEGBL-UHFFFAOYSA-N -1 0 432.546 2.462 50 0 IEAARM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cccc(I)c1 ZINC000040150891 569493193 /nfs/dbraw/zinc/49/31/93/569493193.db2.gz BATVUYZRVOOYGP-UHFFFAOYSA-N -1 0 435.243 2.300 50 0 IEAARM CS(=O)(=O)[N-]c1nnc(NC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)s1 ZINC000040157768 569494348 /nfs/dbraw/zinc/49/43/48/569494348.db2.gz HCIGJXOQAFWCRZ-UHFFFAOYSA-N -1 0 447.477 2.277 50 0 IEAARM O=C([O-])c1ccccc1N[C@@H]1SC(=O)N(CCN2C(=O)c3ccccc3C2=O)C1=O ZINC000009422360 569532835 /nfs/dbraw/zinc/53/28/35/569532835.db2.gz PBZDWGLJGMLVDZ-OAHLLOKOSA-N -1 0 425.422 2.114 50 0 IEAARM COc1ccc([C@@H]2C/C(=C3\C(=O)[N-]C(=O)N(Cc4ccccc4)C3=O)NN2C(C)=O)cc1 ZINC000009430242 569533963 /nfs/dbraw/zinc/53/39/63/569533963.db2.gz PFFRDSLPQFWPHC-HQMFNGAOSA-N -1 0 434.452 2.026 50 0 IEAARM CC1(C)Cc2c(sc(NC(=O)C(=O)N(CCO)Cc3ccccc3)c2C(=O)[O-])CO1 ZINC000009435644 569534845 /nfs/dbraw/zinc/53/48/45/569534845.db2.gz DWVQXXKFMKHNLX-UHFFFAOYSA-N -1 0 432.498 2.257 50 0 IEAARM C[C@H](NC(=O)[C@@H](Cc1cc(=O)[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000009485595 569539614 /nfs/dbraw/zinc/53/96/14/569539614.db2.gz VEJGHNSSFYPZQT-KPZWWZAWSA-N -1 0 441.871 2.112 50 0 IEAARM CCOc1ccc(C(=O)Nc2c(N)nc(SCC(=O)NC3CCCC3)[n-]c2=O)cc1 ZINC000009518172 569543926 /nfs/dbraw/zinc/54/39/26/569543926.db2.gz RFRSPKBJOCXRGJ-UHFFFAOYSA-N -1 0 431.518 2.154 50 0 IEAARM COC(=O)c1sc(S(=O)(=O)[N-]Cc2ccc(OC)c(OC)c2)c(C(=O)OC)c1C ZINC000009644154 569556045 /nfs/dbraw/zinc/55/60/45/569556045.db2.gz OYLWNPOJLPMCMA-UHFFFAOYSA-N -1 0 443.499 2.125 50 0 IEAARM Cc1ccc(CNC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(Cl)c4)c(=O)c2=3)cc1 ZINC000009675466 569559268 /nfs/dbraw/zinc/55/92/68/569559268.db2.gz SSLDCSONXICLCR-QZTJIDSGSA-N -1 0 429.839 2.397 50 0 IEAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)c(OC)c1 ZINC000009675303 569559288 /nfs/dbraw/zinc/55/92/88/569559288.db2.gz BPLAUWVTULFLGY-WOJBJXKFSA-N -1 0 437.456 2.253 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(C)cc(C)c4)c=3c2=O)cc1OC ZINC000009675623 569559307 /nfs/dbraw/zinc/55/93/07/569559307.db2.gz UDNXBXNJAZEGAE-UXHICEINSA-N -1 0 437.456 2.253 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(C)c4C)c=3c2=O)cc1OC ZINC000009675635 569559314 /nfs/dbraw/zinc/55/93/14/569559314.db2.gz WTBZTOZGHURYJC-WOJBJXKFSA-N -1 0 437.456 2.253 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Cl)cc4)c=3c2=O)cc1OC ZINC000009675557 569559323 /nfs/dbraw/zinc/55/93/23/569559323.db2.gz QXTDQFHPEQLLPL-ZWKOTPCHSA-N -1 0 443.847 2.289 50 0 IEAARM CCOc1ccc(-n2c(=O)[nH]c3c2nc(-c2cccc(OCC)c2[O-])nc3C(N)=O)cc1 ZINC000009739045 569564978 /nfs/dbraw/zinc/56/49/78/569564978.db2.gz FTSRDQNTIOSQBG-UHFFFAOYSA-N -1 0 435.440 2.378 50 0 IEAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3coc(NC(=O)C4CC4)n3)cc2)n1 ZINC000077099829 569585294 /nfs/dbraw/zinc/58/52/94/569585294.db2.gz GCXFNFNRLWUDQW-UHFFFAOYSA-N -1 0 442.457 2.175 50 0 IEAARM c1sc([N-]c2nc(N3CCOCC3)nc(N3CCOCC3)n2)nc1-c1ccccc1 ZINC000000845958 132231520 /nfs/dbraw/zinc/23/15/20/132231520.db2.gz XYQLZFGNBLPSGG-UHFFFAOYSA-N -1 0 425.518 2.412 50 0 IEAARM CCS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)C[C@H](C(=O)[O-])O2 ZINC000006182861 132276585 /nfs/dbraw/zinc/27/65/85/132276585.db2.gz SVNACZROGVHTGQ-MRXNPFEDSA-N -1 0 445.902 2.175 50 0 IEAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c1 ZINC000008608743 132287791 /nfs/dbraw/zinc/28/77/91/132287791.db2.gz PQRICJWYNVRVPR-UHFFFAOYSA-N -1 0 426.516 2.435 50 0 IEAARM O=C([O-])c1ccc(S(=O)(=O)N2CCN(c3ncnc4sc5c(c43)CCC5)CC2)cc1 ZINC000008850723 132296186 /nfs/dbraw/zinc/29/61/86/132296186.db2.gz IRUBALPLJGEBGQ-UHFFFAOYSA-N -1 0 444.538 2.389 50 0 IEAARM COc1cc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc(C)ccc4N(C)C3)C2=O)cc(OC)c1OC ZINC000009089989 132302542 /nfs/dbraw/zinc/30/25/42/132302542.db2.gz LTVLCRGFNMEUCZ-HSZRJFAPSA-N -1 0 439.468 2.487 50 0 IEAARM COC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)Nc3cc(F)ccc3F)cc21 ZINC000009274069 132312127 /nfs/dbraw/zinc/31/21/27/132312127.db2.gz UUEWIQKGEGTBHH-UHFFFAOYSA-N -1 0 428.438 2.377 50 0 IEAARM COc1cc([C@H]2C/C(=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)NN2)ccc1O ZINC000009317417 132313611 /nfs/dbraw/zinc/31/36/11/132313611.db2.gz POZDTHRPFONZSE-CLBVAXQTSA-N -1 0 428.832 2.130 50 0 IEAARM CCOc1cc2[n-]c(=S)n(CCCC(=O)N3CCN(C)CC3)c(=O)c2cc1OCC ZINC000020644665 520787077 /nfs/dbraw/zinc/78/70/77/520787077.db2.gz JLEBTLFHGYVHJO-UHFFFAOYSA-N -1 0 434.562 2.411 50 0 IEAARM CCOC(=O)[C@@H]1CCCN(c2ncc(NS(=O)(=O)c3ccccc3)cc2C(=O)[O-])C1 ZINC000035397279 521122608 /nfs/dbraw/zinc/12/26/08/521122608.db2.gz OZRBNBBLCQXKQC-CQSZACIVSA-N -1 0 433.486 2.360 50 0 IEAARM COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000011978261 524386608 /nfs/dbraw/zinc/38/66/08/524386608.db2.gz YEPAMINANCOXMI-UHFFFAOYSA-N -1 0 430.891 2.216 50 0 IEAARM COc1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3cccs3)c(=O)[n-]2)cc1 ZINC000012732387 524508073 /nfs/dbraw/zinc/50/80/73/524508073.db2.gz HQBCPNMNQDOAJM-UHFFFAOYSA-N -1 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Cc1cc(C(=O)N2CCN(c3cc(C)c4ccccc4n3)CC2)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000020607272 526254137 /nfs/dbraw/zinc/25/41/37/526254137.db2.gz BWKFGFBQEJZPTH-UHFFFAOYSA-N -1 0 430.468 2.151 50 0 IEAARM O=C([O-])[C@H](c1c[nH]c2cc(F)ccc21)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000020723375 526315486 /nfs/dbraw/zinc/31/54/86/526315486.db2.gz IZKLCXFMNSMAPW-RTWAWAEBSA-N -1 0 439.443 2.417 50 0 IEAARM Cn1c(=O)c2cc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)cnc2n(C)c1=O ZINC000009338395 527027381 /nfs/dbraw/zinc/02/73/81/527027381.db2.gz ZXZUXOUALASQOT-UHFFFAOYSA-N -1 0 428.514 2.481 50 0 IEAARM O=C([O-])CCCCCn1c(=O)c2sccc2nc1SCC(=O)NC[C@H]1CCCO1 ZINC000020645891 527581555 /nfs/dbraw/zinc/58/15/55/527581555.db2.gz FIRHREZVBYAZTI-CYBMUJFWSA-N -1 0 439.559 2.490 50 0 IEAARM COc1cc(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)cc(Cl)c1OCC(N)=O ZINC000006239290 536816039 /nfs/dbraw/zinc/81/60/39/536816039.db2.gz YCCCEZWGJMSGEA-UHFFFAOYSA-N -1 0 449.891 2.360 50 0 IEAARM COc1cc([N-]S(=O)(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)nc(OC)n1 ZINC000000677783 555535685 /nfs/dbraw/zinc/53/56/85/555535685.db2.gz ZEWSNFHXWHFXMN-UHFFFAOYSA-N -1 0 440.437 2.095 50 0 IEAARM CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)[O-])n2[C@H](C)COC)c1 ZINC000002645150 555791120 /nfs/dbraw/zinc/79/11/20/555791120.db2.gz HQRITDPLUROQQL-CYBMUJFWSA-N -1 0 442.563 2.360 50 0 IEAARM O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000002867150 555847835 /nfs/dbraw/zinc/84/78/35/555847835.db2.gz WFMZOKPVDVJBGC-UHFFFAOYSA-N -1 0 430.467 2.491 50 0 IEAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)cc2)cc1 ZINC000002998402 555876958 /nfs/dbraw/zinc/87/69/58/555876958.db2.gz HINPOOQBJLLMGU-UHFFFAOYSA-N -1 0 427.276 2.291 50 0 IEAARM COc1cc(S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])ccc1NC(C)=O ZINC000004205024 555976017 /nfs/dbraw/zinc/97/60/17/555976017.db2.gz FDSFCRYDMANLLW-GOSISDBHSA-N -1 0 431.470 2.109 50 0 IEAARM CCOC(=O)Cc1csc([N-][C@](NC(=O)OCC)(C(=O)OCC)C(F)(F)F)n1 ZINC000005831362 556067232 /nfs/dbraw/zinc/06/72/32/556067232.db2.gz WSMPTSPAEYFOPF-AWEZNQCLSA-N -1 0 427.401 2.228 50 0 IEAARM O=C([O-])c1ccc(N[C@@H]2SC(=O)N(CCN3C(=O)c4ccccc4C3=O)C2=O)cc1 ZINC000009422092 556289523 /nfs/dbraw/zinc/28/95/23/556289523.db2.gz ZJLUHPHWSNWDJC-OAHLLOKOSA-N -1 0 425.422 2.114 50 0 IEAARM O=C([O-])c1ccc(N[C@H]2SC(=O)N(CCN3C(=O)c4ccccc4C3=O)C2=O)cc1 ZINC000009422093 556289571 /nfs/dbraw/zinc/28/95/71/556289571.db2.gz ZJLUHPHWSNWDJC-HNNXBMFYSA-N -1 0 425.422 2.114 50 0 IEAARM Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3cccc(C(=O)[O-])c3)n2C)cc1 ZINC000013880320 556325603 /nfs/dbraw/zinc/32/56/03/556325603.db2.gz MJVRPKIBDBAWSK-UHFFFAOYSA-N -1 0 439.497 2.483 50 0 IEAARM Cc1cc(-c2csc(NC(=O)Cn3[n-]c(=O)ccc3=O)n2)c(C)n1Cc1ccco1 ZINC000014161320 556378223 /nfs/dbraw/zinc/37/82/23/556378223.db2.gz UQDUPLAIYOCYDZ-UHFFFAOYSA-N -1 0 425.470 2.358 50 0 IEAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000013260040 556501110 /nfs/dbraw/zinc/50/11/10/556501110.db2.gz SIUAVWVMEMLRPW-IBGZPJMESA-N -1 0 427.482 2.034 50 0 IEAARM CCCc1nnc(SCC(=O)N[C@H](c2nccn2C)c2ccccc2)n1CC(=O)[O-] ZINC000013402635 556504605 /nfs/dbraw/zinc/50/46/05/556504605.db2.gz RPFGMEJDBNVYPD-SFHVURJKSA-N -1 0 428.518 2.047 50 0 IEAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnnn1Cc1ccccc1 ZINC000013406350 556504760 /nfs/dbraw/zinc/50/47/60/556504760.db2.gz REZVQSPFGQZGGB-GOSISDBHSA-N -1 0 436.497 2.107 50 0 IEAARM O=C([O-])[C@H](Cc1cc2ccccc2[nH]1)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000030834194 556507064 /nfs/dbraw/zinc/50/70/64/556507064.db2.gz FESZYFZYMGTYTD-IBGZPJMESA-N -1 0 427.482 2.269 50 0 IEAARM Cn1cnc(S(=O)(=O)[N-]c2cc(S(=O)(=O)NC(C)(C)C)c(F)cc2F)c1Cl ZINC000072301059 556524200 /nfs/dbraw/zinc/52/42/00/556524200.db2.gz WTDFXEBAXAVWLC-UHFFFAOYSA-N -1 0 442.897 2.229 50 0 IEAARM CC(C)[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3c2N=S=N3)C1)C(=O)[O-] ZINC000013624169 556536576 /nfs/dbraw/zinc/53/65/76/556536576.db2.gz RSBSMAQWXADQET-RISCZKNCSA-N -1 0 426.520 2.039 50 0 IEAARM CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3c2N=S=N3)C1)C(=O)[O-] ZINC000013630009 556538859 /nfs/dbraw/zinc/53/88/59/556538859.db2.gz NVUYWGPFDXYIHC-JMSVASOKSA-N -1 0 440.547 2.429 50 0 IEAARM CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](C(=O)[O-])C(C)C)CC1 ZINC000015997059 556572096 /nfs/dbraw/zinc/57/20/96/556572096.db2.gz OYPDPMMOPWYHGV-IAGOWNOFSA-N -1 0 441.569 2.390 50 0 IEAARM CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)NC(=O)c2ccccc2)cc1 ZINC000016044448 556578957 /nfs/dbraw/zinc/57/89/57/556578957.db2.gz MEDKQDJZAOQRDR-HNNXBMFYSA-N -1 0 446.529 2.232 50 0 IEAARM O=S(=O)([N-]NC(=S)Nc1ccc2c(c1)OCO2)c1ccc(Br)cc1 ZINC000017096765 556660657 /nfs/dbraw/zinc/66/06/57/556660657.db2.gz QOJPPUSJSYIEQY-UHFFFAOYSA-N -1 0 430.305 2.358 50 0 IEAARM COc1cc2oc(=O)c(CC(=O)N[C@H](Cc3ccccc3)C(=O)[O-])c(C)c2cc1OC ZINC000011865666 556665469 /nfs/dbraw/zinc/66/54/69/556665469.db2.gz DODDPFVBYWVNSM-QGZVFWFLSA-N -1 0 425.437 2.473 50 0 IEAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1 ZINC000011905008 556670920 /nfs/dbraw/zinc/67/09/20/556670920.db2.gz FZZNNGVGAORFCW-NSHDSACASA-N -1 0 444.918 2.462 50 0 IEAARM COc1cccc([N-]S(=O)(=O)c2cc(N3CCCCS3(=O)=O)ccc2OC)c1 ZINC000011906645 556671540 /nfs/dbraw/zinc/67/15/40/556671540.db2.gz ILJVDANMCRCONX-UHFFFAOYSA-N -1 0 426.516 2.435 50 0 IEAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2)Nc1ccc(Br)cc1 ZINC000018153387 556685236 /nfs/dbraw/zinc/68/52/36/556685236.db2.gz FSXUHGWFCJPYNT-JKSUJKDBSA-N -1 0 428.246 2.381 50 0 IEAARM O=C([O-])C1CCN(C(=O)CCCCCN2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)CC1 ZINC000005423630 556799344 /nfs/dbraw/zinc/79/93/44/556799344.db2.gz CAJNJRJLMPUXSD-IBGZPJMESA-N -1 0 427.501 2.259 50 0 IEAARM CC(C)NC(=O)CN1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccc(F)cc2)CC1 ZINC000032946759 557034291 /nfs/dbraw/zinc/03/42/91/557034291.db2.gz SXLOMDGMGSWNKF-UHFFFAOYSA-N -1 0 442.491 2.423 50 0 IEAARM O=C([O-])CNS(=O)(=O)c1ccc2c(c1)/C(=C\c1ccc(Br)s1)C(=O)N2 ZINC000048237132 557047605 /nfs/dbraw/zinc/04/76/05/557047605.db2.gz GTQHDDGPIFQOAP-VZUCSPMQSA-N -1 0 443.300 2.366 50 0 IEAARM O=S(=O)(C=C([O-])c1c[nH]c2ccccc12)c1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC000048355893 557074357 /nfs/dbraw/zinc/07/43/57/557074357.db2.gz ZBXFYSDZRUACOP-UHFFFAOYSA-N -1 0 433.511 2.004 50 0 IEAARM S=c1[n-]c2ccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2s1 ZINC000085413369 557101593 /nfs/dbraw/zinc/10/15/93/557101593.db2.gz JBIZFGHVHSMEPK-UHFFFAOYSA-N -1 0 431.547 2.187 50 0 IEAARM COc1ccc(-c2ccc(=O)n(CC(=O)NCC3(CC(=O)[O-])CCCCC3)n2)cc1OC ZINC000049548294 557112421 /nfs/dbraw/zinc/11/24/21/557112421.db2.gz LJRHOVQUQHXSGV-UHFFFAOYSA-N -1 0 443.500 2.469 50 0 IEAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1cc(N2CCCS2(=O)=O)ccc1C ZINC000049504094 557114146 /nfs/dbraw/zinc/11/41/46/557114146.db2.gz XTJLBIJUAAKZCL-UHFFFAOYSA-N -1 0 430.529 2.184 50 0 IEAARM COCCNC(Nc1ccccc1Cl)=C1C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O ZINC000016957651 557159133 /nfs/dbraw/zinc/15/91/33/557159133.db2.gz JCQAANPUGWMDMN-ZCXUNETKSA-N -1 0 444.875 2.491 50 0 IEAARM O=C([O-])/C=C/C(=O)Nc1ccc(I)cc1I ZINC000008648786 557170025 /nfs/dbraw/zinc/17/00/25/557170025.db2.gz ZBJGTUWDEHIARZ-ONEGZZNKSA-N -1 0 442.978 2.475 50 0 IEAARM COC(=O)c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000100943173 557203158 /nfs/dbraw/zinc/20/31/58/557203158.db2.gz YFSJRTTWSAIOHL-ZBFHGGJFSA-N -1 0 428.242 2.356 50 0 IEAARM CC(Nc1c(C)n(C)n(-c2ccccc2)c1=O)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000101087795 557236802 /nfs/dbraw/zinc/23/68/02/557236802.db2.gz IBJQCOOBQPDYLJ-NBVRZTHBSA-N -1 0 431.452 2.453 50 0 IEAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1Cl ZINC000100033092 557238072 /nfs/dbraw/zinc/23/80/72/557238072.db2.gz PGIKYWJVLCQYQP-IRXDYDNUSA-N -1 0 431.811 2.420 50 0 IEAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc1OC ZINC000100033126 557238101 /nfs/dbraw/zinc/23/81/01/557238101.db2.gz JWADTHIWEUFOBB-ROUUACIJSA-N -1 0 443.847 2.289 50 0 IEAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1ccc2c(c1)OCCO2 ZINC000101165899 557257737 /nfs/dbraw/zinc/25/77/37/557257737.db2.gz JWZPNJPRPBHIEP-MSOLQXFVSA-N -1 0 441.831 2.043 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4Cl)c=3c2=O)cc1OC ZINC000101169783 557259388 /nfs/dbraw/zinc/25/93/88/557259388.db2.gz JKHPCFOQJHXZNX-ROUUACIJSA-N -1 0 443.847 2.289 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(C)c4C)c=3c2=O)cc1OC ZINC000101169881 557259663 /nfs/dbraw/zinc/25/96/63/557259663.db2.gz WTBZTOZGHURYJC-PMACEKPBSA-N -1 0 437.456 2.253 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)NCc4ccc(C)cc4)c=3c2=O)cc1Cl ZINC000101388653 557282689 /nfs/dbraw/zinc/28/26/89/557282689.db2.gz OVWBGISCGRDQHF-RBUKOAKNSA-N -1 0 441.875 2.267 50 0 IEAARM COc1ccc(CN(C(=O)C=CC(=O)[O-])[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000101412464 557284458 /nfs/dbraw/zinc/28/44/58/557284458.db2.gz UBQVOOMFHXNJRI-RXQFDZFGSA-N -1 0 426.400 2.136 50 0 IEAARM CCOc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cc(C(=O)OC)ccc4OC)c=3c2=O)cc1 ZINC000101417844 557284898 /nfs/dbraw/zinc/28/48/98/557284898.db2.gz ZGRKXTARGPVNML-RBUKOAKNSA-N -1 0 438.440 2.374 50 0 IEAARM COc1ccccc1[C@H]1CC(c2c(=O)[nH]c(=O)n(C3CCCCC3)c2[O-])=NN1C(C)=O ZINC000101456794 557287224 /nfs/dbraw/zinc/28/72/24/557287224.db2.gz GIPGWZUWNIOEQT-QGZVFWFLSA-N -1 0 426.473 2.454 50 0 IEAARM CCCCn1c(=O)[nH]c(=O)c(C2=NN(C(=O)CC)[C@@H](c3ccc(OC)cc3OC)C2)c1[O-] ZINC000101764873 557298324 /nfs/dbraw/zinc/29/83/24/557298324.db2.gz LIARJUDVYIYNTE-MRXNPFEDSA-N -1 0 444.488 2.147 50 0 IEAARM Cc1ccc(CNC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(Cl)c4)c(=O)c2=3)cc1 ZINC000101169706 557455576 /nfs/dbraw/zinc/45/55/76/557455576.db2.gz SSLDCSONXICLCR-ZWKOTPCHSA-N -1 0 429.839 2.397 50 0 IEAARM NC(=O)CSc1ccccc1[N-]S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000225401201 557718744 /nfs/dbraw/zinc/71/87/44/557718744.db2.gz HBYUZTWITBHSHM-UHFFFAOYSA-N -1 0 436.483 2.061 50 0 IEAARM O=C(CNC(=O)c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000003354178 562934681 /nfs/dbraw/zinc/93/46/81/562934681.db2.gz MZPJLXYKXAIYEU-UHFFFAOYSA-N -1 0 445.888 2.299 50 0 IEAARM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000003581368 562936508 /nfs/dbraw/zinc/93/65/08/562936508.db2.gz FKHSJJVEZGUWBF-UHFFFAOYSA-N -1 0 438.527 2.449 50 0 IEAARM CCOc1ccc(N2C(=O)C[C@@H](N(CCc3ccccc3)C(=O)C=CC(=O)[O-])C2=O)cc1 ZINC000004101161 562941852 /nfs/dbraw/zinc/94/18/52/562941852.db2.gz TWQNFEXKBQNXEU-DRUFCSCSSA-N -1 0 436.464 2.429 50 0 IEAARM COc1cccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccnc2)c1OC ZINC000006558922 562947317 /nfs/dbraw/zinc/94/73/17/562947317.db2.gz NJLHMMFSBDAMBF-DEYYWGMASA-N -1 0 425.363 2.203 50 0 IEAARM COc1ccc(OC)c2c1cc(C(=O)N[C@H](C(=O)N1CCC(C(=O)[O-])CC1)C(C)C)n2C ZINC000008790105 562964170 /nfs/dbraw/zinc/96/41/70/562964170.db2.gz BTUQUYAQXMBWNV-IBGZPJMESA-N -1 0 445.516 2.273 50 0 biogenic IEAARM O=C(NCCc1ccc(C(F)(F)F)cc1)c1nc2n(n1)-c1ccccc1S(=O)(=O)[N-]2 ZINC000084576873 568798771 /nfs/dbraw/zinc/79/87/71/568798771.db2.gz CZXHCSXDYYLPOQ-UHFFFAOYSA-N -1 0 437.403 2.373 50 0 IEAARM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccccc2N2CCC(C(N)=O)CC2)c1C ZINC000084794479 568801406 /nfs/dbraw/zinc/80/14/06/568801406.db2.gz XIZMUKSZOKRSPP-UHFFFAOYSA-N -1 0 448.545 2.311 50 0 IEAARM Cc1ccc(N2CCN(S(=O)(=O)c3ccc4ncc(C(=O)[O-])c(O)c4c3)C[C@@H]2C)cc1 ZINC000015827463 568840856 /nfs/dbraw/zinc/84/08/56/568840856.db2.gz ZPSGHLYJHDKUJJ-HNNXBMFYSA-N -1 0 441.509 2.434 50 0 IEAARM COc1c(F)c(F)c(S(=O)(=O)[N-]C[C@@H]2CN(Cc3ccccc3)CCO2)c(F)c1F ZINC000012949809 568871887 /nfs/dbraw/zinc/87/18/87/568871887.db2.gz LZMYEZKASRXHAJ-CYBMUJFWSA-N -1 0 448.438 2.431 50 0 IEAARM O=C([O-])CC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21 ZINC000227234027 568885706 /nfs/dbraw/zinc/88/57/06/568885706.db2.gz LGEIMNNDBQRHJD-JVGYHMDPSA-N -1 0 439.855 2.130 50 0 IEAARM O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3[C@H]4c3cccs3)[C@@H]2C1=O ZINC000245234769 568913117 /nfs/dbraw/zinc/91/31/17/568913117.db2.gz DVRQTSNAVXBUAN-RLHWLBHMSA-N -1 0 448.547 2.056 50 0 IEAARM Cc1oc2cc3oc(=O)c(CC(=O)N[C@H](CCCNC(N)=O)C(=O)[O-])c(C)c3cc2c1C ZINC000026771846 568916609 /nfs/dbraw/zinc/91/66/09/568916609.db2.gz AGCPBUPLYQAYEZ-MRXNPFEDSA-N -1 0 443.456 2.025 50 0 IEAARM CC[NH+]1CCN(c2ccc([N-]S(=O)(=O)c3cc(OC)ccc3OC)cc2C(=O)[O-])CC1 ZINC000064580581 568934385 /nfs/dbraw/zinc/93/43/85/568934385.db2.gz XKQMAXQRIRIHPA-UHFFFAOYSA-N -1 0 449.529 2.345 50 0 IEAARM CC(C)NC(=O)CN1CCN(c2ccc(NC(=O)c3ccc(F)cc3)c(C(=O)[O-])c2)CC1 ZINC000064589464 568935006 /nfs/dbraw/zinc/93/50/06/568935006.db2.gz ABTABAIJKRKFKS-UHFFFAOYSA-N -1 0 442.491 2.423 50 0 IEAARM CCN(CC[NH+](C)C)c1ncc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000064843941 568971739 /nfs/dbraw/zinc/97/17/39/568971739.db2.gz KXJPULORIDKBEN-UHFFFAOYSA-N -1 0 434.518 2.171 50 0 IEAARM COc1ccc(C(=O)N/C(=C/c2ccc3c(c2)OCO3)C(=O)NCCCC(=O)[O-])cc1 ZINC000006924789 569110149 /nfs/dbraw/zinc/11/01/49/569110149.db2.gz ULCRZMSMCKRLQJ-GZTJUZNOSA-N -1 0 426.425 2.176 50 0 IEAARM Cc1cccc(C(=O)N2CCSCC2)c1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000065562830 569139292 /nfs/dbraw/zinc/13/92/92/569139292.db2.gz BZOHKPSRHMGFAB-UHFFFAOYSA-N -1 0 447.538 2.316 50 0 IEAARM CN(C)S(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)s2)c1N ZINC000170617711 569146907 /nfs/dbraw/zinc/14/69/07/569146907.db2.gz BBVVQHXWTRJZRF-UHFFFAOYSA-N -1 0 440.366 2.144 50 0 IEAARM COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(NC(=O)/C=C(/C)C(=O)[O-])cc2)cc1 ZINC000013579301 569156122 /nfs/dbraw/zinc/15/61/22/569156122.db2.gz PNTGGPGUJGNPLI-QBFSEMIESA-N -1 0 440.408 2.238 50 0 IEAARM COc1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000013733480 569156899 /nfs/dbraw/zinc/15/68/99/569156899.db2.gz BCSACSLBTHUEIJ-LLVKDONJSA-N -1 0 444.918 2.462 50 0 IEAARM CC(C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000252695407 569211100 /nfs/dbraw/zinc/21/11/00/569211100.db2.gz ZOEKMFSWKCMZIG-FPCVCCKLSA-N -1 0 427.542 2.048 50 0 biogenic IEAARM Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)CC1 ZINC000012992943 569305950 /nfs/dbraw/zinc/30/59/50/569305950.db2.gz SBFVLNKARHLWMK-VMPITWQZSA-N -1 0 433.486 2.429 50 0 IEAARM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cc(Br)ccc3S(N)(=O)=O)ccc2O1 ZINC000328594060 569317650 /nfs/dbraw/zinc/31/76/50/569317650.db2.gz MSYZDLBIHAQEPG-SECBINFHSA-N -1 0 447.332 2.221 50 0 IEAARM COc1cc([N-]S(=O)(=O)CCNS(=O)(=O)c2ccccc2)c(OC)cc1Cl ZINC000079103151 569325674 /nfs/dbraw/zinc/32/56/74/569325674.db2.gz FDCVBFDFGCKNCS-UHFFFAOYSA-N -1 0 434.923 2.077 50 0 IEAARM COc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)cc1S(=O)(=O)N(C)C ZINC000095464069 569370420 /nfs/dbraw/zinc/37/04/20/569370420.db2.gz FQKUBMXVGOCCOT-UHFFFAOYSA-N -1 0 442.877 2.315 50 0 IEAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cn(Cc3cccc(F)c3)nn2)cc1OC ZINC000095463844 569370424 /nfs/dbraw/zinc/37/04/24/569370424.db2.gz HZMXAKWIMJYDJB-INIZCTEOSA-N -1 0 428.420 2.429 50 0 IEAARM COCCN(CC(=O)[O-])C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000095969825 569377319 /nfs/dbraw/zinc/37/73/19/569377319.db2.gz QKJVPQORTOGKSC-UHFFFAOYSA-N -1 0 432.926 2.078 50 0 IEAARM Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCc2ccccc2OCC(=O)[O-])C(C)C)cc1 ZINC000095970651 569377354 /nfs/dbraw/zinc/37/73/54/569377354.db2.gz KPEFVHWAGHSPEP-HXUWFJFHSA-N -1 0 434.514 2.078 50 0 IEAARM COc1ccc(CCN2C[C@@H](C(=O)N3CCC(CCC(=O)[O-])CC3)CC2=O)cc1OC ZINC000095991840 569378339 /nfs/dbraw/zinc/37/83/39/569378339.db2.gz RLGJIGZRGILCOT-SFHVURJKSA-N -1 0 432.517 2.198 50 0 IEAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1cnc(N2CCN(c3ccccn3)CC2)nc1 ZINC000096024361 569380582 /nfs/dbraw/zinc/38/05/82/569380582.db2.gz SCFJGPLRFIQVDB-UHFFFAOYSA-N -1 0 440.529 2.316 50 0 IEAARM COC(=O)C[C@H](c1cc2cccc3c2n(c1=O)CCC3)c1c([O-])nc2ccccn2c1=O ZINC000096115325 569383352 /nfs/dbraw/zinc/38/33/52/569383352.db2.gz GXULZDDTABSNLC-MRXNPFEDSA-N -1 0 431.448 2.356 50 0 biogenic IEAARM COc1ccc(CNC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(C)cc2)cc1OC ZINC000096361249 569397748 /nfs/dbraw/zinc/39/77/48/569397748.db2.gz XFVOCDCTXJAAPE-UHFFFAOYSA-N -1 0 430.486 2.466 50 0 IEAARM COc1ccc(CCNC(=O)C[C@H]2N=C3c4ccccc4[N-]C(=S)N3C2=O)cc1OC ZINC000002966921 569433082 /nfs/dbraw/zinc/43/30/82/569433082.db2.gz ACPXMPOHFTWLBN-MRXNPFEDSA-N -1 0 438.509 2.121 50 0 IEAARM CC(C)NC(=O)NC(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000003433364 569450946 /nfs/dbraw/zinc/45/09/46/569450946.db2.gz YVEFGYHRZHWNIG-UHFFFAOYSA-N -1 0 437.449 2.018 50 0 IEAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)N1CCCC1=O ZINC000003514140 569453016 /nfs/dbraw/zinc/45/30/16/569453016.db2.gz BMSWWTUDQDRUAZ-UHFFFAOYSA-N -1 0 434.445 2.241 50 0 IEAARM O=C(NCc1ccccn1)c1ccc2c(c1)[n-]c(=S)n(CCCN1CCCC1=O)c2=O ZINC000008662208 569469906 /nfs/dbraw/zinc/46/99/06/569469906.db2.gz DVOXQWCUHHQCQX-UHFFFAOYSA-N -1 0 437.525 2.397 50 0 IEAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000008777795 569475446 /nfs/dbraw/zinc/47/54/46/569475446.db2.gz PSFXUJUBCNVHJW-UHFFFAOYSA-N -1 0 427.471 2.172 50 0 IEAARM CC[C@@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000008789515 569475942 /nfs/dbraw/zinc/47/59/42/569475942.db2.gz ZSXAUMNXPAXHRB-PVAVHDDUSA-N -1 0 439.553 2.240 50 0 biogenic IEAARM CC[C@@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)[O-] ZINC000008790155 569476067 /nfs/dbraw/zinc/47/60/67/569476067.db2.gz RFUPAELEDGOCAH-XLSMTSSISA-N -1 0 447.557 2.155 50 0 biogenic IEAARM CCOC(=O)N1CCN(C(=O)c2sc([N-]S(=O)(=O)c3ccccc3)nc2C)CC1 ZINC000008977580 569493046 /nfs/dbraw/zinc/49/30/46/569493046.db2.gz QLJBHJWZKLULJF-UHFFFAOYSA-N -1 0 438.531 2.167 50 0 IEAARM C[C@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2nc(N3CCCC3)ncc2Cl)C1=O ZINC000040152731 569493506 /nfs/dbraw/zinc/49/35/06/569493506.db2.gz QMJPBYCZYZAREB-OAQYLSRUSA-N -1 0 442.907 2.318 50 0 IEAARM COc1ccc(NC(=O)CNC(N)=O)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000009128425 569505383 /nfs/dbraw/zinc/50/53/83/569505383.db2.gz VKNUYVBEFBMEQE-UHFFFAOYSA-N -1 0 447.300 2.410 50 0 IEAARM CCCCc1c([O-])nc(SCC(=O)N2CCOCC2)n(-c2ccccc2OC)c1=O ZINC000009183501 569509854 /nfs/dbraw/zinc/50/98/54/569509854.db2.gz LLVQOKVZHVGLHJ-UHFFFAOYSA-N -1 0 433.530 2.240 50 0 IEAARM COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1 ZINC000009228278 569513572 /nfs/dbraw/zinc/51/35/72/569513572.db2.gz YZKJINDZBLRQHC-UHFFFAOYSA-N -1 0 437.499 2.415 50 0 IEAARM COC(=O)c1sc(S(=O)(=O)[N-]c2ccccc2C(=O)OC)c(C(=O)OC)c1C ZINC000009491661 569540379 /nfs/dbraw/zinc/54/03/79/569540379.db2.gz MBDHWBCQFLBQQE-UHFFFAOYSA-N -1 0 427.456 2.217 50 0 IEAARM COc1cccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccccc3)c(=O)[n-]2)c1 ZINC000009518026 569543879 /nfs/dbraw/zinc/54/38/79/569543879.db2.gz AKKXRTYANVRFAV-UHFFFAOYSA-N -1 0 425.470 2.344 50 0 IEAARM COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)NC3CCCCC3)[n-]c2=O)cc1 ZINC000009518114 569543954 /nfs/dbraw/zinc/54/39/54/569543954.db2.gz IINDNFSACAYBJJ-UHFFFAOYSA-N -1 0 431.518 2.154 50 0 IEAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)c1 ZINC000009572653 569547860 /nfs/dbraw/zinc/54/78/60/569547860.db2.gz NROPKSSXXYOHOK-UHFFFAOYSA-N -1 0 449.510 2.365 50 0 IEAARM CC[NH+](CC)CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cc1 ZINC000009634350 569554450 /nfs/dbraw/zinc/55/44/50/569554450.db2.gz BGOJGAXPLKNJLM-UHFFFAOYSA-N -1 0 449.529 2.266 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4F)c=3c2=O)cc1Cl ZINC000009674946 569559236 /nfs/dbraw/zinc/55/92/36/569559236.db2.gz QFXURLKHFUUAAE-DLBZAZTESA-N -1 0 431.811 2.420 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4)c=3c2=O)cc1OC ZINC000009675552 569559337 /nfs/dbraw/zinc/55/93/37/569559337.db2.gz PDHHBNXFPFCOHX-QZTJIDSGSA-N -1 0 443.847 2.289 50 0 IEAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2cccn(Cc3ccccc3F)c2=O)cc1 ZINC000010187802 569578706 /nfs/dbraw/zinc/57/87/06/569578706.db2.gz VLTXJHWABNYXIX-UHFFFAOYSA-N -1 0 443.456 2.113 50 0 IEAARM CCOc1ccc([C@H](c2sc3nc(CC)nn3c2[O-])N2CCN(CCO)CC2)cc1 ZINC000022854618 122390645 /nfs/dbraw/zinc/39/06/45/122390645.db2.gz VFIBWGWBBNFBEJ-GOSISDBHSA-N -1 0 431.562 2.157 50 0 IEAARM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)c(F)cc2c1=O ZINC000009723117 132239758 /nfs/dbraw/zinc/23/97/58/132239758.db2.gz XIXNQOUMXGSPQG-IBGZPJMESA-N -1 0 429.448 2.001 50 0 IEAARM COc1cccc(N2CCN(C(=O)C[C@H]3N=C4c5ccccc5[N-]C(=S)N4C3=O)CC2)c1 ZINC000002966989 132259792 /nfs/dbraw/zinc/25/97/92/132259792.db2.gz SADVTEVZXAZKQS-LJQANCHMSA-N -1 0 449.536 2.102 50 0 IEAARM CC/C(NNC(=S)Nc1ccccc1)=C1\C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O ZINC000009356214 132314373 /nfs/dbraw/zinc/31/43/73/132314373.db2.gz DEMDYBQBITVOCH-MSUUIHNZSA-N -1 0 439.497 2.433 50 0 IEAARM COc1ccc(OC)c([C@H]2C/C(=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)NN2)c1 ZINC000009420394 132316348 /nfs/dbraw/zinc/31/63/48/132316348.db2.gz PTCZYQHYGWNJJU-ZMMDAZFZSA-N -1 0 442.859 2.433 50 0 IEAARM CC(C)C[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)[O-] ZINC000012886602 519243971 /nfs/dbraw/zinc/24/39/71/519243971.db2.gz FIRAKOBZCZTWHB-SGJCYKPQSA-N -1 0 447.557 2.155 50 0 biogenic IEAARM CC(C)NC(=O)CN1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccccc2F)CC1 ZINC000032946827 519706988 /nfs/dbraw/zinc/70/69/88/519706988.db2.gz AKLNSLRTPHENSW-UHFFFAOYSA-N -1 0 442.491 2.423 50 0 IEAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(CS(N)(=O)=O)cc1 ZINC000012560681 520863505 /nfs/dbraw/zinc/86/35/05/520863505.db2.gz JWNHWFFLAXXJBZ-UHFFFAOYSA-N -1 0 449.348 2.437 50 0 IEAARM CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)cc1C(=O)[O-] ZINC000069529931 521210730 /nfs/dbraw/zinc/21/07/30/521210730.db2.gz REIWTAFFIGGEMP-UHFFFAOYSA-N -1 0 440.499 2.025 50 0 IEAARM CCOC(=O)[C@H]1CCCN(C(=O)CCc2nnc(-c3ccc(OCC)cc3)[n-]c2=O)C1 ZINC000034762910 521289254 /nfs/dbraw/zinc/28/92/54/521289254.db2.gz CTVCMBUVZDLVTO-INIZCTEOSA-N -1 0 428.489 2.377 50 0 IEAARM CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N[C@@H](C)C(=O)[O-] ZINC000012885634 521968922 /nfs/dbraw/zinc/96/89/22/521968922.db2.gz HORMGZBYZMQGQC-YKJDYHJGSA-N -1 0 447.557 2.155 50 0 biogenic IEAARM COc1ccc(CNC(=O)CCCN(C)S(=O)(=O)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000012852081 524047694 /nfs/dbraw/zinc/04/76/94/524047694.db2.gz NKLOPICWWHFJJS-UHFFFAOYSA-N -1 0 438.477 2.250 50 0 IEAARM COc1ccccc1C(=O)N/C(=C/c1ccc2c(c1)OCO2)C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000012381995 524338881 /nfs/dbraw/zinc/33/88/81/524338881.db2.gz LHNITOAQHCMUBV-QGRTWZNFSA-N -1 0 440.452 2.420 50 0 IEAARM COc1ccccc1[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(C)=O ZINC000020945399 524730538 /nfs/dbraw/zinc/73/05/38/524730538.db2.gz MEYZQLZFZCRMPT-FZKQIMNGSA-N -1 0 432.498 2.487 50 0 IEAARM C[C@H]1Oc2ccccc2N(CC(=O)Nc2ccc3nc([N-]S(C)(=O)=O)sc3c2)C1=O ZINC000021883096 525066248 /nfs/dbraw/zinc/06/62/48/525066248.db2.gz MSLYGNYFHPBFRL-LLVKDONJSA-N -1 0 446.510 2.420 50 0 IEAARM Cc1n[n-]c(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)nc1=O ZINC000012555179 526531708 /nfs/dbraw/zinc/53/17/08/526531708.db2.gz JNFSFGSSEUHESF-UHFFFAOYSA-N -1 0 429.424 2.060 50 0 IEAARM O=C(CC[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)N1CCN(Cc2ccccc2)CC1 ZINC000020642603 526561649 /nfs/dbraw/zinc/56/16/49/526561649.db2.gz MZYYJMFKFMIHRW-FQEVSTJZSA-N -1 0 447.564 2.479 50 0 IEAARM O=C([O-])CCCCCn1c(=O)c2sccc2nc1SCC(=O)NC[C@@H]1CCCO1 ZINC000020645889 527582241 /nfs/dbraw/zinc/58/22/41/527582241.db2.gz FIRHREZVBYAZTI-ZDUSSCGKSA-N -1 0 439.559 2.490 50 0 IEAARM COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1OC ZINC000000917380 555583787 /nfs/dbraw/zinc/58/37/87/555583787.db2.gz UPNDSCISZACPCZ-UHFFFAOYSA-N -1 0 428.470 2.476 50 0 IEAARM CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 ZINC000001795886 555716647 /nfs/dbraw/zinc/71/66/47/555716647.db2.gz BXPIYRFTYQQXHO-UHFFFAOYSA-N -1 0 447.498 2.037 50 0 IEAARM CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)[O-])n2[C@@H](C)COC)c1 ZINC000002645149 555791178 /nfs/dbraw/zinc/79/11/78/555791178.db2.gz HQRITDPLUROQQL-ZDUSSCGKSA-N -1 0 442.563 2.360 50 0 IEAARM CCOC(=O)[C@@H]1CCCN(C(=O)CCc2nnc(-c3cccc(OCC)c3)[n-]c2=O)C1 ZINC000034764778 555906045 /nfs/dbraw/zinc/90/60/45/555906045.db2.gz VQLSEUIJRXLTIW-MRXNPFEDSA-N -1 0 428.489 2.377 50 0 IEAARM CCOC(=O)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1 ZINC000002783694 556138335 /nfs/dbraw/zinc/13/83/35/556138335.db2.gz QALZFLJOSNPDHL-MOPGFXCFSA-N -1 0 435.440 2.104 50 0 IEAARM O=C([O-])c1ccccc1C(=O)N(CCS(=O)(=O)N1CCCCC1)Cc1ccncc1 ZINC000009061224 556244241 /nfs/dbraw/zinc/24/42/41/556244241.db2.gz BWDAZLCAPIDZMG-UHFFFAOYSA-N -1 0 431.514 2.238 50 0 IEAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 ZINC000009426635 556290636 /nfs/dbraw/zinc/29/06/36/556290636.db2.gz MCJXQUCANVGUGF-INIZCTEOSA-N -1 0 429.498 2.120 50 0 IEAARM COc1ccc(NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000032780794 556346051 /nfs/dbraw/zinc/34/60/51/556346051.db2.gz WVUKACFURKTAEB-GFCCVEGCSA-N -1 0 442.490 2.008 50 0 IEAARM CCc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3cc(C(=O)[O-])cs3)CC2)cc1 ZINC000012941288 556416635 /nfs/dbraw/zinc/41/66/35/556416635.db2.gz JHMMCZHQLSYVIQ-UHFFFAOYSA-N -1 0 436.555 2.474 50 0 IEAARM O=C([O-])c1csc(S(=O)(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1 ZINC000012941296 556416746 /nfs/dbraw/zinc/41/67/46/556416746.db2.gz SNZWHAYZUYQWEB-UHFFFAOYSA-N -1 0 433.511 2.003 50 0 IEAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)NCC(=O)N[C@H]1CCOc2ccccc21 ZINC000013236811 556500633 /nfs/dbraw/zinc/50/06/33/556500633.db2.gz FFKQUONCBPVPGK-RBUKOAKNSA-N -1 0 436.468 2.103 50 0 IEAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccncc3)cc2)n1 ZINC000003075009 556578813 /nfs/dbraw/zinc/57/88/13/556578813.db2.gz WWENWHIJNBKMGK-UHFFFAOYSA-N -1 0 442.526 2.416 50 0 IEAARM CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)NC(=O)c2ccccc2)cc1 ZINC000016044447 556578992 /nfs/dbraw/zinc/57/89/92/556578992.db2.gz MEDKQDJZAOQRDR-OAHLLOKOSA-N -1 0 446.529 2.232 50 0 IEAARM COC(=O)CN1C(=O)S/C(=C/c2ccc(OCC(=O)[O-])c(Br)c2)C1=O ZINC000016225533 556592285 /nfs/dbraw/zinc/59/22/85/556592285.db2.gz PHZODOPESZAJLM-VZUCSPMQSA-N -1 0 430.232 2.122 50 0 IEAARM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCCC2)ccc1OC ZINC000017070356 556655182 /nfs/dbraw/zinc/65/51/82/556655182.db2.gz PPXYZVUHIQHKNM-UHFFFAOYSA-N -1 0 431.514 2.482 50 0 IEAARM CC(C)Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])CC2)cc1 ZINC000017099013 556664002 /nfs/dbraw/zinc/66/40/02/556664002.db2.gz NAPVQXUVWFZXRG-UXHICEINSA-N -1 0 434.558 2.385 50 0 IEAARM Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H]3C4CCC(CC4)[C@H]3C(=O)[O-])CC2)c1 ZINC000017099024 556664011 /nfs/dbraw/zinc/66/40/11/556664011.db2.gz YSSHBUWXFBVHDW-ZYKFHVCXSA-N -1 0 434.558 2.273 50 0 IEAARM CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])CC2)cc1 ZINC000017099040 556664249 /nfs/dbraw/zinc/66/42/49/556664249.db2.gz DNTFPTIGMFWUIH-RBUKOAKNSA-N -1 0 434.558 2.484 50 0 IEAARM Cc1coc2cc3oc(=O)c(CCC(=O)N[C@H](CCCNC(N)=O)C(=O)[O-])c(C)c3cc12 ZINC000011865650 556665409 /nfs/dbraw/zinc/66/54/09/556665409.db2.gz FIPJAFAZQCIJAX-MRXNPFEDSA-N -1 0 443.456 2.107 50 0 IEAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(Cn3nc4ccccn4c3=O)c2)c1 ZINC000058911819 556793001 /nfs/dbraw/zinc/79/30/01/556793001.db2.gz DXFPZQIBVBOTHD-UHFFFAOYSA-N -1 0 440.481 2.362 50 0 IEAARM COc1ccc(S(=O)(=O)N2CCc3c(nc4cc(-c5ccccc5)[n-]n4c3=O)C2)cc1 ZINC000097941995 556812827 /nfs/dbraw/zinc/81/28/27/556812827.db2.gz HIPXIJQJEFDGGZ-UHFFFAOYSA-N -1 0 436.493 2.445 50 0 IEAARM COc1ccc(/C=C(\NC(=O)c2ccc(Br)o2)C(=O)NCCC(=O)[O-])cc1 ZINC000019894199 556940305 /nfs/dbraw/zinc/94/03/05/556940305.db2.gz GEKGFAHZCGZVCQ-RAXLEYEMSA-N -1 0 437.246 2.413 50 0 IEAARM COc1ccc(CN(C(=O)C=CC(=O)[O-])[C@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000020131682 556987744 /nfs/dbraw/zinc/98/77/44/556987744.db2.gz QUBQCBFHFRMCTD-CVTTXWKISA-N -1 0 438.436 2.005 50 0 IEAARM CCCCN1C(=O)[N-]C(=O)C(=C(CC)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OC)C1=O ZINC000020290463 557005744 /nfs/dbraw/zinc/00/57/44/557005744.db2.gz ZQSHGNJOSNPOIL-BDBAMQCISA-N -1 0 440.500 2.384 50 0 IEAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CNC(=O)[C@H]3C[C@@H]3C)ccc2OC)cc1 ZINC000023189112 557072366 /nfs/dbraw/zinc/07/23/66/557072366.db2.gz QKSOEMGTOMMGMT-GUYCJALGSA-N -1 0 447.513 2.215 50 0 IEAARM CC(=O)c1cccc([N-]S(=O)(=O)c2c[nH]c(-c3nnc(C(=O)N4CCCC4)o3)c2)c1 ZINC000085808816 557076645 /nfs/dbraw/zinc/07/66/45/557076645.db2.gz KBIWZZRGOPEHSW-UHFFFAOYSA-N -1 0 429.458 2.304 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(Cl)ccc4OC)c=3c2=O)cc1 ZINC000101166120 557258005 /nfs/dbraw/zinc/25/80/05/557258005.db2.gz HLTLPJSXYXPNGE-ZWKOTPCHSA-N -1 0 443.847 2.289 50 0 IEAARM CCOC(=O)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1 ZINC000101167448 557258376 /nfs/dbraw/zinc/25/83/76/557258376.db2.gz QALZFLJOSNPDHL-OALUTQOASA-N -1 0 435.440 2.104 50 0 IEAARM CCOc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1 ZINC000101169096 557259250 /nfs/dbraw/zinc/25/92/50/557259250.db2.gz CMKAPXBCMPNDGP-QZTJIDSGSA-N -1 0 429.383 2.295 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4c(C)cccc4C)c=3c2=O)cc1OC ZINC000101169871 557259633 /nfs/dbraw/zinc/25/96/33/557259633.db2.gz OIARBKWZGGVYJN-PMACEKPBSA-N -1 0 437.456 2.253 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4c(C)cccc4C)c=3c2=O)cc1OC ZINC000101169869 557259646 /nfs/dbraw/zinc/25/96/46/557259646.db2.gz OIARBKWZGGVYJN-VQTJNVASSA-N -1 0 437.456 2.253 50 0 IEAARM CCOC(=O)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccccc4C)c(=O)c2=3)cc1 ZINC000101218084 557265735 /nfs/dbraw/zinc/26/57/35/557265735.db2.gz SPWQDCZRSZDCJA-RBUKOAKNSA-N -1 0 435.440 2.104 50 0 IEAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc4c(c3)OCCO4)c(=O)c1=2)Nc1ccccc1Cl ZINC000101352909 557275093 /nfs/dbraw/zinc/27/50/93/557275093.db2.gz XSOZGOLLDNCZCO-ZWKOTPCHSA-N -1 0 441.831 2.043 50 0 IEAARM CC[C@H](C)[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1)C(=O)[O-] ZINC000101412581 557284388 /nfs/dbraw/zinc/28/43/88/557284388.db2.gz QWAQVSQFHMTKIR-XHDPSFHLSA-N -1 0 440.547 2.429 50 0 IEAARM COc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(C4CCCCC4)c3[O-])=NN2C(C)=O)cc1 ZINC000101456272 557286678 /nfs/dbraw/zinc/28/66/78/557286678.db2.gz NAPQZEOLYDDTPE-GOSISDBHSA-N -1 0 426.473 2.454 50 0 IEAARM COc1cc([C@@H]2CC(c3c(=O)[nH]c(=O)n(C4CCCCC4)c3[O-])=NN2)cc(OC)c1OC ZINC000101762093 557297162 /nfs/dbraw/zinc/29/71/62/557297162.db2.gz NSZHMVXWMRNMHM-AWEZNQCLSA-N -1 0 444.488 2.212 50 0 IEAARM COc1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(-c4cc(C)cc(C)c4)c3=O)=NN2)c(OC)c1 ZINC000101762986 557297582 /nfs/dbraw/zinc/29/75/82/557297582.db2.gz DTAMMYIZRQYPHB-KRWDZBQOSA-N -1 0 436.468 2.304 50 0 IEAARM COc1ccc(OC)c([C@H]2CC(c3c([O-])[nH]c(=O)n(-c4cc(C)cc(C)c4)c3=O)=NN2)c1 ZINC000101762971 557297593 /nfs/dbraw/zinc/29/75/93/557297593.db2.gz QJOZXQQSFHKWEO-QGZVFWFLSA-N -1 0 436.468 2.304 50 0 IEAARM COc1cc([C@@H]2CC(c3c([O-])[nH]c(=O)n(-c4cccc(Cl)c4)c3=O)=NN2)ccc1O ZINC000101763130 557297617 /nfs/dbraw/zinc/29/76/17/557297617.db2.gz XSVZPOMMQZNMLV-ZDUSSCGKSA-N -1 0 428.832 2.038 50 0 IEAARM COC(=O)c1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2 ZINC000102436969 557322850 /nfs/dbraw/zinc/32/28/50/557322850.db2.gz SOKOTAMBDGNLTM-IRXDYDNUSA-N -1 0 441.831 2.059 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(OC)c(Cl)c4)c=3c2=O)cc1 ZINC000101166003 557455538 /nfs/dbraw/zinc/45/55/38/557455538.db2.gz JEAMLODEPAPNNB-MSOLQXFVSA-N -1 0 443.847 2.289 50 0 IEAARM COc1ccccc1Cn1c(=O)c2ccc(C(=O)NCC(OC)OC)cc2[n-]c1=S ZINC000003043923 562932108 /nfs/dbraw/zinc/93/21/08/562932108.db2.gz ZXZOUQPOITXANE-UHFFFAOYSA-N -1 0 429.498 2.091 50 0 IEAARM COc1cccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccnc2)c1OC ZINC000006558913 562947339 /nfs/dbraw/zinc/94/73/39/562947339.db2.gz NJLHMMFSBDAMBF-GLJUWKHASA-N -1 0 425.363 2.203 50 0 IEAARM Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)c(C)c21 ZINC000008877517 562965682 /nfs/dbraw/zinc/96/56/82/562965682.db2.gz DSYQHULBTONMTI-FQEVSTJZSA-N -1 0 442.468 2.349 50 0 biogenic IEAARM COc1ccc(OC)c(C2=NO[C@@](CC(=O)[O-])(C(=O)Nc3ccc4c(c3)OCCO4)C2)c1 ZINC000009348636 562969463 /nfs/dbraw/zinc/96/94/63/562969463.db2.gz VDEXCSVIQOIWKS-QFIPXVFZSA-N -1 0 442.424 2.452 50 0 IEAARM O=C([O-])C=CC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(=O)N(c2c(Cl)cccc2Cl)C1=O ZINC000019948129 563023348 /nfs/dbraw/zinc/02/33/48/563023348.db2.gz CSEXFXUVFPQNRI-OZQHNXSNSA-N -1 0 441.267 2.274 50 0 IEAARM COc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2cccnc2)cc1OC ZINC000000915118 568636879 /nfs/dbraw/zinc/63/68/79/568636879.db2.gz XFIDXAICANIFSG-RVKKMQEKSA-N -1 0 425.363 2.203 50 0 IEAARM O=C(NCc1ccc(-n2cncn2)cc1)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000084403181 568797834 /nfs/dbraw/zinc/79/78/34/568797834.db2.gz BHKFDVHUJVOAEW-UHFFFAOYSA-N -1 0 440.510 2.455 50 0 IEAARM COc1ccccc1C1=Nc2ccc(S(=O)(=O)N3CCCCC3)cc2S(=O)(=O)[N-]1 ZINC000015682391 568807019 /nfs/dbraw/zinc/80/70/19/568807019.db2.gz NGLZOKLDOFNVEP-UHFFFAOYSA-N -1 0 435.527 2.240 50 0 IEAARM COC(=O)c1ccc2c(c1)[nH]c(=S)n(NC(=O)c1cc(OC)c(OC)c(OC)c1)c2=O ZINC000002239630 568834897 /nfs/dbraw/zinc/83/48/97/568834897.db2.gz JTIYIIUTBAMLHT-UHFFFAOYSA-N -1 0 445.453 2.255 50 0 IEAARM CCC(=O)N1N=C(c2c([O-])[nH]c(=S)n(C)c2=O)C[C@H]1c1ccc(OC)c(OC)c1OC ZINC000015834896 568843387 /nfs/dbraw/zinc/84/33/87/568843387.db2.gz CJPLZRIRJGPTPG-LBPRGKRZSA-N -1 0 448.501 2.262 50 0 IEAARM CCCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)ccc12 ZINC000015956376 568859831 /nfs/dbraw/zinc/85/98/31/568859831.db2.gz MAADTXLXEYXYCO-LRTDBIEQSA-N -1 0 446.500 2.164 50 0 IEAARM NS(=O)(=O)c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4)C3=O)o2)cc1 ZINC000006142994 568866258 /nfs/dbraw/zinc/86/62/58/568866258.db2.gz HOEAZBRHGAEOSQ-SFQUDFHCSA-N -1 0 437.433 2.260 50 0 IEAARM COc1cccc(/C=C\C(=O)[N-]S(=O)(=O)c2cncc(Br)c2)c1OC ZINC000207583215 568894522 /nfs/dbraw/zinc/89/45/22/568894522.db2.gz GQHWIJAWTLMJPA-SREVYHEPSA-N -1 0 427.276 2.380 50 0 IEAARM CC(=NNC(=O)c1cc2c(s1)CC[C@H](C)C2)c1ccc(S(=O)(=O)NCC(=O)[O-])cc1 ZINC000252457548 568922863 /nfs/dbraw/zinc/92/28/63/568922863.db2.gz QPIVFOIAOPCEML-LBPRGKRZSA-N -1 0 449.554 2.390 50 0 IEAARM COc1ccc([N-]S(=O)(=O)c2cc3c(cc2Br)n(C)c(=O)n3C)cc1 ZINC000064775632 568954723 /nfs/dbraw/zinc/95/47/23/568954723.db2.gz GWDUMRHAOPPERZ-UHFFFAOYSA-N -1 0 426.292 2.449 50 0 IEAARM O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(CCc3ccncc3)CC2)c2ccc(F)cc21 ZINC000036352989 569083908 /nfs/dbraw/zinc/08/39/08/569083908.db2.gz SNEKWIFLXZASHP-JOCHJYFZSA-N -1 0 440.475 2.246 50 0 IEAARM COc1ccc2c(c1)c([C@@H](C(=O)[O-])[NH+]1CCN(Cc3ccccn3)CC1)cn2CC(=O)[O-] ZINC000036358793 569085307 /nfs/dbraw/zinc/08/53/07/569085307.db2.gz PEGUREJYQVOTKD-QFIPXVFZSA-N -1 0 438.484 2.073 50 0 IEAARM Cc1noc(C)c1CN1CC[NH+]([C@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(F)ccc23)CC1 ZINC000036366987 569086995 /nfs/dbraw/zinc/08/69/95/569086995.db2.gz UUWWKEAFBPPMHJ-NRFANRHFSA-N -1 0 444.463 2.413 50 0 IEAARM O=C(c1ccccc1[N-]S(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2)N1CCOCC1 ZINC000065563620 569139299 /nfs/dbraw/zinc/13/92/99/569139299.db2.gz ZTGNLEDDSZCABZ-UHFFFAOYSA-N -1 0 435.889 2.108 50 0 IEAARM COc1ccc(C(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000170617271 569147111 /nfs/dbraw/zinc/14/71/11/569147111.db2.gz ZYUJYZLOFBSWLR-CYBMUJFWSA-N -1 0 430.482 2.294 50 0 IEAARM CCOC(=O)c1ncsc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000170617362 569147209 /nfs/dbraw/zinc/14/72/09/569147209.db2.gz MWPZUHVDFQEVCU-UHFFFAOYSA-N -1 0 444.434 2.414 50 0 IEAARM CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000010060247 569152417 /nfs/dbraw/zinc/15/24/17/569152417.db2.gz KGNUPMVRPOCKSG-UHFFFAOYSA-N -1 0 425.532 2.341 50 0 IEAARM Cc1oc2c(cc3c(C)c(CCC(=O)NCC(=O)NCC(=O)[O-])c(=O)oc3c2C)c1C ZINC000002152455 569187401 /nfs/dbraw/zinc/18/74/01/569187401.db2.gz RMECZOKKNLHPCP-UHFFFAOYSA-N -1 0 428.441 2.022 50 0 biogenic IEAARM CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C)C(=O)[O-])CC1 ZINC000252694669 569210847 /nfs/dbraw/zinc/21/08/47/569210847.db2.gz OBTZKGKFJMXNSU-QAETUUGQSA-N -1 0 441.569 2.438 50 0 biogenic IEAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000013260094 569312615 /nfs/dbraw/zinc/31/26/15/569312615.db2.gz NRGOQVXTGCTJGN-IBGZPJMESA-N -1 0 427.482 2.034 50 0 IEAARM COC(=O)c1nscc1[N-]S(=O)(=O)c1c(C)cc(C)c(NS(C)(=O)=O)c1C ZINC000079075823 569324687 /nfs/dbraw/zinc/32/46/87/569324687.db2.gz TYOXKYBAIJLDTM-UHFFFAOYSA-N -1 0 433.533 2.027 50 0 IEAARM O=C([O-])CNC(=O)c1ccc(NC(=O)c2cc(Br)c3c(c2)OCCO3)cc1 ZINC000095425001 569365868 /nfs/dbraw/zinc/36/58/68/569365868.db2.gz JAOQCEAGMSIZEJ-UHFFFAOYSA-N -1 0 435.230 2.287 50 0 IEAARM Cc1cccc(C[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)[O-])c1 ZINC000095425411 569366017 /nfs/dbraw/zinc/36/60/17/569366017.db2.gz GMPXYIQKDGJGOQ-KRWDZBQOSA-N -1 0 427.457 2.413 50 0 IEAARM COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc(C(C)=O)cn2C)cc1 ZINC000095458524 569369185 /nfs/dbraw/zinc/36/91/85/569369185.db2.gz UCIRBWHUJZVEPN-UHFFFAOYSA-N -1 0 429.458 2.079 50 0 IEAARM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2-n2cc(C)cn2)cc1 ZINC000095460453 569369636 /nfs/dbraw/zinc/36/96/36/569369636.db2.gz NUCKLNWDZKZVQN-UHFFFAOYSA-N -1 0 428.470 2.257 50 0 IEAARM CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)c1ccc(CNC(=O)c2cccs2)cc1 ZINC000095970572 569377360 /nfs/dbraw/zinc/37/73/60/569377360.db2.gz CIUVGYXCHPQOAR-UHFFFAOYSA-N -1 0 443.525 2.073 50 0 IEAARM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc3c(c(S(N)(=O)=O)c2)CCC3)cc1 ZINC000095989632 569378207 /nfs/dbraw/zinc/37/82/07/569378207.db2.gz PNVDBYYXEYUTSS-QGZVFWFLSA-N -1 0 434.539 2.490 50 0 IEAARM COC(=O)C[C@H](c1cc2c(c(OC)c1)OCO2)c1c([O-])nc2ccc(Cl)cn2c1=O ZINC000096113718 569382584 /nfs/dbraw/zinc/38/25/84/569382584.db2.gz STUQTWAGPQCBNK-GFCCVEGCSA-N -1 0 432.816 2.486 50 0 biogenic IEAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c(OC)c1 ZINC000096319858 569393975 /nfs/dbraw/zinc/39/39/75/569393975.db2.gz DWWRNJUUMBJLQP-QZTJIDSGSA-N -1 0 443.847 2.289 50 0 IEAARM COc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2cc(OC)cc(OC)c2)cc1 ZINC000096361145 569397625 /nfs/dbraw/zinc/39/76/25/569397625.db2.gz JIVFVEGVFZEWKK-UHFFFAOYSA-N -1 0 432.458 2.489 50 0 IEAARM COc1ccccc1N(Cc1nn2c([n-]1)nc(C)cc2=O)S(=O)(=O)c1ccccc1 ZINC000021796209 569400802 /nfs/dbraw/zinc/40/08/02/569400802.db2.gz AWAOBTQRYBQPDM-UHFFFAOYSA-N -1 0 425.470 2.130 50 0 IEAARM COc1ccc(S(=O)(=O)N2CCc3nc4cc(-c5ccccc5)[n-]n4c(=O)c3C2)cc1 ZINC000097161549 569403251 /nfs/dbraw/zinc/40/32/51/569403251.db2.gz DBFXTTIFECLWGF-UHFFFAOYSA-N -1 0 436.493 2.445 50 0 IEAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc(O[C@H]2CCOC2)nc1 ZINC000225708600 569407350 /nfs/dbraw/zinc/40/73/50/569407350.db2.gz GIJXAYHFAKJKDT-INIZCTEOSA-N -1 0 441.469 2.092 50 0 IEAARM CCOC(=O)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(CC)cc4)c(=O)c2=3)cc1 ZINC000002783833 569421359 /nfs/dbraw/zinc/42/13/59/569421359.db2.gz FBXISWAPYPCUEL-WOJBJXKFSA-N -1 0 449.467 2.358 50 0 IEAARM COC(=O)c1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2 ZINC000002787310 569421416 /nfs/dbraw/zinc/42/14/16/569421416.db2.gz SOKOTAMBDGNLTM-SJORKVTESA-N -1 0 441.831 2.059 50 0 IEAARM NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2Br)cc1 ZINC000003411078 569450098 /nfs/dbraw/zinc/45/00/98/569450098.db2.gz OJUKQGLUERXYPF-UHFFFAOYSA-N -1 0 427.248 2.176 50 0 IEAARM CC(=O)N1[C@H](C)CN(c2c(F)c(N)c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@H]1C ZINC000032088014 569459501 /nfs/dbraw/zinc/45/95/01/569459501.db2.gz LRMADKFQHZGZLJ-NXEZZACHSA-N -1 0 434.443 2.341 50 0 IEAARM CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N[C@H](C)C(=O)[O-] ZINC000008790459 569476050 /nfs/dbraw/zinc/47/60/50/569476050.db2.gz HORMGZBYZMQGQC-YEPAUEBISA-N -1 0 447.557 2.155 50 0 biogenic IEAARM Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-])c(C)c21 ZINC000008877541 569481181 /nfs/dbraw/zinc/48/11/81/569481181.db2.gz FVSUWJOWIJISFG-AWEZNQCLSA-N -1 0 443.456 2.025 50 0 biogenic IEAARM CSCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC000008893177 569483580 /nfs/dbraw/zinc/48/35/80/569483580.db2.gz SGYDNARVYPYITD-HNNXBMFYSA-N -1 0 434.967 2.063 50 0 IEAARM CCCCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)ccc12 ZINC000008952303 569489993 /nfs/dbraw/zinc/48/99/93/569489993.db2.gz YUUQXLKYWIGONJ-NRFANRHFSA-N -1 0 446.500 2.164 50 0 biogenic IEAARM COc1ccccc1C(=O)N/C(=C\c1ccc2c(c1)OCO2)C(=O)NCCCC(=O)[O-] ZINC000009330936 569522982 /nfs/dbraw/zinc/52/29/82/569522982.db2.gz VWYXRMOVKHQPQH-WJDWOHSUSA-N -1 0 426.425 2.176 50 0 IEAARM O=C([O-])Cn1c(=O)c2c3c(sc2n(CC(=O)Nc2cccc(Cl)c2)c1=O)CCCC3 ZINC000009435783 569534921 /nfs/dbraw/zinc/53/49/21/569534921.db2.gz QGFHSTREJCBHBK-UHFFFAOYSA-N -1 0 447.900 2.480 50 0 IEAARM O=C([O-])CN1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@H]4ON=C(c5ccc(OCc6ccccc6)cc5)[C@@H]34)[C@@H]2C1=O ZINC000009448926 569536102 /nfs/dbraw/zinc/53/61/02/569536102.db2.gz UEWWZVSNBVXJIG-VDKRJKRFSA-N -1 0 446.459 2.320 50 0 IEAARM CCOC(=O)N1CCN(C(=O)CSc2ncc(C(=O)[O-])n2-c2ccc(F)cc2)CC1 ZINC000009490927 569540264 /nfs/dbraw/zinc/54/02/64/569540264.db2.gz CCDCMSZUHQSMSE-UHFFFAOYSA-N -1 0 436.465 2.102 50 0 IEAARM COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)N3CCCCCC3)[n-]c2=O)cc1 ZINC000009518108 569543892 /nfs/dbraw/zinc/54/38/92/569543892.db2.gz USHWQXPJUYHXGQ-UHFFFAOYSA-N -1 0 431.518 2.108 50 0 IEAARM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000009613506 569553020 /nfs/dbraw/zinc/55/30/20/569553020.db2.gz IEUPVQRCZQIXHK-UHFFFAOYSA-N -1 0 438.527 2.449 50 0 IEAARM COc1ccc(NC(=O)Cn2ccccc2=O)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000009640587 569555380 /nfs/dbraw/zinc/55/53/80/569555380.db2.gz JUNJWVKYJQEAGX-UHFFFAOYSA-N -1 0 431.445 2.436 50 0 IEAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(Cl)c4)c(=O)c2=3)cc1 ZINC000009675351 569559276 /nfs/dbraw/zinc/55/92/76/569559276.db2.gz KKZLDFGOINJPSF-IAGOWNOFSA-N -1 0 431.811 2.420 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4)c=3c2=O)cc1OC ZINC000009675550 569559306 /nfs/dbraw/zinc/55/93/06/569559306.db2.gz PDHHBNXFPFCOHX-MSOLQXFVSA-N -1 0 443.847 2.289 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4c(C)cccc4C)c=3c2=O)cc1OC ZINC000009675615 569559317 /nfs/dbraw/zinc/55/93/17/569559317.db2.gz OIARBKWZGGVYJN-WOJBJXKFSA-N -1 0 437.456 2.253 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(C)ccc4C)c=3c2=O)cc1OC ZINC000009675628 569559352 /nfs/dbraw/zinc/55/93/52/569559352.db2.gz UAQWPEKOMDLDOH-PMACEKPBSA-N -1 0 437.456 2.253 50 0 IEAARM COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3ccc(C(N)=O)cc3)cs2)cc1 ZINC000009828678 569569832 /nfs/dbraw/zinc/56/98/32/569569832.db2.gz KFASIANIESNPHS-UHFFFAOYSA-N -1 0 446.510 2.233 50 0 IEAARM CCOc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cc(C(=O)OC)ccc4OC)c=3c2=O)cc1 ZINC000009837383 569570813 /nfs/dbraw/zinc/57/08/13/569570813.db2.gz ZGRKXTARGPVNML-RTBURBONSA-N -1 0 438.440 2.374 50 0 IEAARM O=C(C[C@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)N1CCN(c2ccccc2F)CC1 ZINC000002968793 132260012 /nfs/dbraw/zinc/26/00/12/132260012.db2.gz DIPOCPBPIMLASD-QGZVFWFLSA-N -1 0 437.500 2.232 50 0 IEAARM NC(=O)C1CCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000003428719 132265391 /nfs/dbraw/zinc/26/53/91/132265391.db2.gz FVMGYIAUYRPZTM-UHFFFAOYSA-N -1 0 429.477 2.271 50 0 IEAARM C[C@@H]1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc(NC(=O)COCC(=O)[O-])cc1 ZINC000006174109 132276307 /nfs/dbraw/zinc/27/63/07/132276307.db2.gz DBVXSRQLTWGNCC-CYBMUJFWSA-N -1 0 436.461 2.395 50 0 IEAARM COC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3OC)cc21 ZINC000009153237 132307013 /nfs/dbraw/zinc/30/70/13/132307013.db2.gz RXGSLNNOZQFERJ-UHFFFAOYSA-N -1 0 436.511 2.416 50 0 IEAARM CCOc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cc1C(=O)[O-] ZINC000069514188 521210178 /nfs/dbraw/zinc/21/01/78/521210178.db2.gz DKWWYGLPEGENEF-UHFFFAOYSA-N -1 0 440.499 2.025 50 0 IEAARM CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)c12 ZINC000012871194 521259687 /nfs/dbraw/zinc/25/96/87/521259687.db2.gz PCLMWTXWWBFTFY-QFIPXVFZSA-N -1 0 446.500 2.164 50 0 biogenic IEAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCOCC2)cc1 ZINC000021154302 521520368 /nfs/dbraw/zinc/52/03/68/521520368.db2.gz NCBYYLCTWOLYIQ-UHFFFAOYSA-N -1 0 449.529 2.092 50 0 IEAARM CN(C)S(=O)(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccccc2Br)c1 ZINC000012536087 521989457 /nfs/dbraw/zinc/98/94/57/521989457.db2.gz VRKMTTLQEXJOLZ-UHFFFAOYSA-N -1 0 435.321 2.206 50 0 IEAARM CCc1nnc(N2C(=O)c3ccc(S(=O)(=O)c4ccc(C(=O)[O-])cc4)cc3C2=O)s1 ZINC000034702997 522757449 /nfs/dbraw/zinc/75/74/49/522757449.db2.gz SHCBAFHVFOHNQB-UHFFFAOYSA-N -1 0 443.462 2.432 50 0 IEAARM CCc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 ZINC000012508113 524016546 /nfs/dbraw/zinc/01/65/46/524016546.db2.gz DSIGCADLJXBXFX-UHFFFAOYSA-N -1 0 440.543 2.079 50 0 IEAARM COc1ccccc1C(=O)N/C(=C/c1ccc2c(c1)OCO2)C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000012381996 524339342 /nfs/dbraw/zinc/33/93/42/524339342.db2.gz LHNITOAQHCMUBV-NXZBIGBUSA-N -1 0 440.452 2.420 50 0 IEAARM C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3cc(C(=O)[O-])ccc3O)c(Cl)c2)C1=O ZINC000041195115 524749437 /nfs/dbraw/zinc/74/94/37/524749437.db2.gz YMUNKADWQIFUCO-VIFPVBQESA-N -1 0 438.845 2.309 50 0 IEAARM C[C@@H]1CN(C(=O)COC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)C[C@H](C)O1 ZINC000012591384 524784746 /nfs/dbraw/zinc/78/47/46/524784746.db2.gz APFVPAAJDBCMHG-OKILXGFUSA-N -1 0 438.527 2.342 50 0 IEAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)N(S(C)(=O)=O)CCC3)c1 ZINC000016944960 524878311 /nfs/dbraw/zinc/87/83/11/524878311.db2.gz IKIISVWIETYFLZ-UHFFFAOYSA-N -1 0 426.516 2.217 50 0 IEAARM COc1ccc(OC)c([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccnc2)c1 ZINC000035088566 524898750 /nfs/dbraw/zinc/89/87/50/524898750.db2.gz BDPLDTAWXWEASQ-MPGHIAIKSA-N -1 0 425.363 2.203 50 0 IEAARM COc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(S(=O)(=O)c4ccccc4)CC3)c2c1 ZINC000020727294 525494483 /nfs/dbraw/zinc/49/44/83/525494483.db2.gz MXPYVVDIMKPZNT-HXUWFJFHSA-N -1 0 429.498 2.309 50 0 IEAARM Cc1c2c(cc(=O)n1CCc1ccc(S(N)(=O)=O)cc1)[n-]n(-c1ccc(F)cc1)c2=O ZINC000012408218 525930875 /nfs/dbraw/zinc/93/08/75/525930875.db2.gz IKJJRVAITNIFNP-UHFFFAOYSA-N -1 0 442.472 2.182 50 0 IEAARM O=C([O-])CSCC(=O)OCCN1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000012338931 527621621 /nfs/dbraw/zinc/62/16/21/527621621.db2.gz VHBOABWCDNTBAH-UHFFFAOYSA-N -1 0 429.951 2.433 50 0 IEAARM COc1ccc(CCN(C(=O)C=CC(=O)[O-])[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000002313000 555767928 /nfs/dbraw/zinc/76/79/28/555767928.db2.gz UAKISVCGHUHSEG-GNISGLHKSA-N -1 0 440.427 2.178 50 0 IEAARM CCOC(=O)N1CCN(C(=O)CCc2nnc(-c3cccc(OC(C)C)c3)[n-]c2=O)CC1 ZINC000034764402 555906130 /nfs/dbraw/zinc/90/61/30/555906130.db2.gz XNYVFIKSBRSRDL-UHFFFAOYSA-N -1 0 443.504 2.265 50 0 IEAARM COc1cc(-c2nnc(CCC(=O)N3CCN(C)CC3)c(=O)[n-]2)ccc1OCC1CCC1 ZINC000034767376 555907163 /nfs/dbraw/zinc/90/71/63/555907163.db2.gz XWJLTWHVSYMPBM-UHFFFAOYSA-N -1 0 441.532 2.138 50 0 IEAARM C[C@@H](Sc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000005223522 556038427 /nfs/dbraw/zinc/03/84/27/556038427.db2.gz YUCODADOTZLXPI-SECBINFHSA-N -1 0 442.419 2.066 50 0 IEAARM CCOC(=O)Cc1csc([N-][C@@](NC(=O)OCC)(C(=O)OCC)C(F)(F)F)n1 ZINC000008445385 556179685 /nfs/dbraw/zinc/17/96/85/556179685.db2.gz WSMPTSPAEYFOPF-CQSZACIVSA-N -1 0 427.401 2.228 50 0 IEAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N3C(=O)C4=C(SCCS4)C3=O)cc2)n1 ZINC000008636679 556194389 /nfs/dbraw/zinc/19/43/89/556194389.db2.gz OYHAJXNWICYTFT-UHFFFAOYSA-N -1 0 448.551 2.459 50 0 IEAARM O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 ZINC000008834395 556225803 /nfs/dbraw/zinc/22/58/03/556225803.db2.gz REHNHKDEJXDABF-AWEZNQCLSA-N -1 0 431.251 2.265 50 0 IEAARM O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000008994339 556239234 /nfs/dbraw/zinc/23/92/34/556239234.db2.gz FGLZFPGTGKJXPG-UHFFFAOYSA-N -1 0 446.510 2.080 50 0 IEAARM CCCCN1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)CC1=O ZINC000009355830 556284816 /nfs/dbraw/zinc/28/48/16/556284816.db2.gz IUVOWWVBDPSASL-HNNXBMFYSA-N -1 0 431.518 2.173 50 0 IEAARM Cc1nc(C(=O)[N-]N2C(=O)N[C@](C)(CCc3ccccc3)C2=O)nn1-c1ccc(F)cc1 ZINC000032820679 556412448 /nfs/dbraw/zinc/41/24/48/556412448.db2.gz FHPROLIPWLXTEP-JOCHJYFZSA-N -1 0 436.447 2.303 50 0 IEAARM CCOC(=O)C1=C([O-])C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000013120397 556472242 /nfs/dbraw/zinc/47/22/42/556472242.db2.gz XXHTZOMEXOFEAE-INIZCTEOSA-N -1 0 436.873 2.451 50 0 IEAARM Cc1csc2nc(CNC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])cc(=O)n12 ZINC000013235193 556500315 /nfs/dbraw/zinc/50/03/15/556500315.db2.gz NKTGFANDFFMDKC-INIZCTEOSA-N -1 0 425.470 2.041 50 0 IEAARM COC(=O)[C@]([N-]C(=O)C(F)(F)F)(c1c(C)n(C)n(-c2ccccc2)c1=O)C(F)(F)F ZINC000003103063 556522613 /nfs/dbraw/zinc/52/26/13/556522613.db2.gz IOCQQAYXCBYNIS-OAHLLOKOSA-N -1 0 439.312 2.094 50 0 IEAARM CCOc1ccc([C@@H]2C/C(=C3\C(=O)[N-]C(=O)N(Cc4ccccc4)C3=O)NN2C(C)=O)cc1 ZINC000013591044 556529434 /nfs/dbraw/zinc/52/94/34/556529434.db2.gz ADEFCNBGNLFWRA-LCPUNJGISA-N -1 0 448.479 2.416 50 0 IEAARM CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)N1CCn2c3ccccc3nc21)C(=O)[O-] ZINC000013592388 556530387 /nfs/dbraw/zinc/53/03/87/556530387.db2.gz PAKNQKSBEDREPN-QRTARXTBSA-N -1 0 447.561 2.303 50 0 IEAARM COc1ccc(/C=C(/NC(=O)c2ccc(Br)cc2)C(=O)NCC(=O)[O-])cc1 ZINC000016115208 556583563 /nfs/dbraw/zinc/58/35/63/556583563.db2.gz YBGWBKRGXSBXHT-MHWRWJLKSA-N -1 0 433.258 2.429 50 0 IEAARM O=S(=O)([N-]c1cc(-c2ccco2)nn1[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 ZINC000011795956 556657193 /nfs/dbraw/zinc/65/71/93/556657193.db2.gz XOZAYGQBYMSHPK-CYBMUJFWSA-N -1 0 425.463 2.443 50 0 IEAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1 ZINC000011905009 556671008 /nfs/dbraw/zinc/67/10/08/556671008.db2.gz FZZNNGVGAORFCW-LLVKDONJSA-N -1 0 444.918 2.462 50 0 IEAARM COc1ccc([N-]S(=O)(=O)c2cc(N3CCCCS3(=O)=O)ccc2OC)cc1 ZINC000011906647 556671514 /nfs/dbraw/zinc/67/15/14/556671514.db2.gz JTHJKOGUIIQTGW-UHFFFAOYSA-N -1 0 426.516 2.435 50 0 IEAARM CCOc1ccc(N2C(=O)C(=CNCc3ccc4c(c3)OCO4)C(=O)[N-]C2=S)cc1 ZINC000001015471 556690563 /nfs/dbraw/zinc/69/05/63/556690563.db2.gz ZWFGNVLPNZYLLX-WJDWOHSUSA-N -1 0 425.466 2.235 50 0 IEAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C(=O)[C@@H](NC(C)=O)C1CCCC1 ZINC000059368800 556799031 /nfs/dbraw/zinc/79/90/31/556799031.db2.gz YEXORNDMYJAMDM-INIZCTEOSA-N -1 0 447.351 2.348 50 0 IEAARM Cc1c(NC(=O)[C@@H](C)n2nc(C(=O)[O-])c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C ZINC000003252478 556805127 /nfs/dbraw/zinc/80/51/27/556805127.db2.gz IFFLKKVKDUXQLJ-CQSZACIVSA-N -1 0 447.451 2.092 50 0 IEAARM CN(C)C(=O)CN1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)C(C)(C)C)ccc3n2)CC1 ZINC000033260771 556897609 /nfs/dbraw/zinc/89/76/09/556897609.db2.gz GFGJKONQKSPDPK-UHFFFAOYSA-N -1 0 441.532 2.128 50 0 IEAARM Cc1cc(C)nc([N-]c2nc(CC(=O)N3CCN(C(=O)c4ccco4)CC3)cs2)n1 ZINC000049029458 557088914 /nfs/dbraw/zinc/08/89/14/557088914.db2.gz ZLAPAYHCKQITGN-UHFFFAOYSA-N -1 0 426.502 2.414 50 0 IEAARM O=c1[nH]c(=S)[nH]c([O-])c1[C@@H](O)c1cc(Br)ccc1OCc1ccccc1 ZINC000000687983 557135623 /nfs/dbraw/zinc/13/56/23/557135623.db2.gz ARDPYYLRZPLEGK-HNNXBMFYSA-N -1 0 435.299 2.209 50 0 IEAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2cnn(C[C@@H]3COc4ccccc4O3)c2)cc1 ZINC000206847627 557166354 /nfs/dbraw/zinc/16/63/54/557166354.db2.gz RJKBGTWKICGLCU-MRXNPFEDSA-N -1 0 429.454 2.311 50 0 IEAARM COC(=O)c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000100943178 557203126 /nfs/dbraw/zinc/20/31/26/557203126.db2.gz YFSJRTTWSAIOHL-HOCLYGCPSA-N -1 0 428.242 2.356 50 0 IEAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc1OC ZINC000100033125 557238141 /nfs/dbraw/zinc/23/81/41/557238141.db2.gz JWADTHIWEUFOBB-ZWKOTPCHSA-N -1 0 443.847 2.289 50 0 IEAARM COc1cc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc(OC)c1 ZINC000101165887 557257711 /nfs/dbraw/zinc/25/77/11/557257711.db2.gz UQWSLXNFMAJWOM-ZWKOTPCHSA-N -1 0 443.847 2.289 50 0 IEAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(OC)c(OC)c4)c=3c2=O)cc1 ZINC000101166042 557258025 /nfs/dbraw/zinc/25/80/25/557258025.db2.gz GJYGAUGKTYFJKR-UXHICEINSA-N -1 0 437.456 2.198 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(Cl)ccc4OC)c=3c2=O)cc1 ZINC000101166115 557258056 /nfs/dbraw/zinc/25/80/56/557258056.db2.gz HLTLPJSXYXPNGE-ROUUACIJSA-N -1 0 443.847 2.289 50 0 IEAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(Cl)c4)c(=O)c2=3)cc1 ZINC000101169612 557259148 /nfs/dbraw/zinc/25/91/48/557259148.db2.gz KKZLDFGOINJPSF-DLBZAZTESA-N -1 0 431.811 2.420 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)c(F)c4)c=3c2=O)cc1OC ZINC000101169851 557259449 /nfs/dbraw/zinc/25/94/49/557259449.db2.gz KHNYNZVOVSLORG-RTBURBONSA-N -1 0 441.419 2.083 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(C)c4C)c=3c2=O)cc1OC ZINC000101169879 557259723 /nfs/dbraw/zinc/25/97/23/557259723.db2.gz WTBZTOZGHURYJC-VQTJNVASSA-N -1 0 437.456 2.253 50 0 IEAARM CC(=O)N1N=C(c2c([O-])[nH]c(=O)n(-c3ccc(Cl)cc3)c2=O)C[C@@H]1c1cccc(O)c1 ZINC000101455689 557285985 /nfs/dbraw/zinc/28/59/85/557285985.db2.gz CSELYWUWVIRPBO-QGZVFWFLSA-N -1 0 440.843 2.288 50 0 IEAARM CCC(=O)N1N=C(c2c([O-])[nH]c(=S)n(C)c2=O)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000101495076 557289064 /nfs/dbraw/zinc/28/90/64/557289064.db2.gz OOJMQISROHXJEP-LBPRGKRZSA-N -1 0 448.501 2.262 50 0 IEAARM COc1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(-c4cc(C)cc(C)c4)c3=O)=NN2)cc1OC ZINC000101762959 557297567 /nfs/dbraw/zinc/29/75/67/557297567.db2.gz WEMVKJANYNGJJK-INIZCTEOSA-N -1 0 436.468 2.304 50 0 IEAARM O=c1[nH]c([O-])c(C2=NN[C@H](c3ccc4c(c3)OCO4)C2)c(=O)n1-c1cccc(Cl)c1 ZINC000101763167 557297871 /nfs/dbraw/zinc/29/78/71/557297871.db2.gz IRXZVOBOLDONLD-ZDUSSCGKSA-N -1 0 426.816 2.052 50 0 IEAARM CCOC(=O)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(CC)cc4)c(=O)c2=3)cc1 ZINC000102442361 557325828 /nfs/dbraw/zinc/32/58/28/557325828.db2.gz FBXISWAPYPCUEL-PMACEKPBSA-N -1 0 449.467 2.358 50 0 IEAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(F)c3)c(=O)c1=2)NC12CC3CC(CC(C3)C1)C2 ZINC000102982095 557414882 /nfs/dbraw/zinc/41/48/82/557414882.db2.gz RSKHFIQGQRMHLL-DWHHIFGZSA-N -1 0 425.464 2.204 50 0 IEAARM Cc1ccc(CNC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(Cl)c4)c(=O)c2=3)cc1 ZINC000101169712 557455598 /nfs/dbraw/zinc/45/55/98/557455598.db2.gz SSLDCSONXICLCR-MSOLQXFVSA-N -1 0 429.839 2.397 50 0 IEAARM O=S(=O)(NCCCN1CCOCC1)c1cc(Br)ccc1Br ZINC000019898258 557509903 /nfs/dbraw/zinc/50/99/03/557509903.db2.gz FREAKVRWKSQTFB-UHFFFAOYSA-N -1 0 442.173 2.212 50 0 IEAARM C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccco4)o3)cc2)C[C@@H](C)O1 ZINC000009427830 562970467 /nfs/dbraw/zinc/97/04/67/562970467.db2.gz PLDGUNMSIUJWCI-CHWSQXEVSA-N -1 0 432.458 2.380 50 0 IEAARM C[C@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)[N-]c3cccc4cccnc43)cc2)C1=O ZINC000011904069 562979778 /nfs/dbraw/zinc/97/97/78/562979778.db2.gz OWTFGRQSFOERGM-ZDUSSCGKSA-N -1 0 431.495 2.348 50 0 IEAARM Cc1oc(C)c(S(=O)(=O)N2CCN(C(=O)c3cnc(C4CC4)s3)CC2)c1C(=O)[O-] ZINC000532258420 568278211 /nfs/dbraw/zinc/27/82/11/568278211.db2.gz UFVVSFTZLIWEFV-UHFFFAOYSA-N -1 0 439.515 2.075 50 0 IEAARM CCOC(=O)CNC(=O)CSc1nnc([N-]C(=O)c2cc(-c3ccccc3)on2)s1 ZINC000043939685 568743661 /nfs/dbraw/zinc/74/36/61/568743661.db2.gz BSHQWNBVNFIGSC-UHFFFAOYSA-N -1 0 447.498 2.217 50 0 IEAARM COc1ccc2c(c1)c(Cc1c([O-])n(C)c(=O)n(C)c1=O)cn2C(=O)c1cccs1 ZINC000001395469 568785939 /nfs/dbraw/zinc/78/59/39/568785939.db2.gz RQWQJNVXTKNFHV-UHFFFAOYSA-N -1 0 425.466 2.094 50 0 IEAARM CCOC(=O)C(C)(C)n1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)cn1 ZINC000084791160 568801466 /nfs/dbraw/zinc/80/14/66/568801466.db2.gz TWNMNPZHHPJKBX-CYBMUJFWSA-N -1 0 434.518 2.280 50 0 IEAARM CCCCc1cc(=O)oc2cc(OCC(=O)NCC(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)ccc12 ZINC000015955498 568859603 /nfs/dbraw/zinc/85/96/03/568859603.db2.gz BSVYXBFIVHCHTL-JLCFBVMHSA-N -1 0 446.500 2.246 50 0 IEAARM CCCNC(=O)CN1CCN(c2ccc(NC(=O)c3ccccc3F)c(C(=O)[O-])c2)CC1 ZINC000064589527 568934993 /nfs/dbraw/zinc/93/49/93/568934993.db2.gz RICBBYNMLWMHTH-UHFFFAOYSA-N -1 0 442.491 2.424 50 0 IEAARM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cccc(N2C(=O)N(C3CC3)C(=O)C2O)c1 ZINC000089540462 568936631 /nfs/dbraw/zinc/93/66/31/568936631.db2.gz MBXGFDHCAZCUQR-UHFFFAOYSA-N -1 0 445.453 2.193 50 0 IEAARM COc1cc([N-]S(=O)(=O)c2cc(C(=O)N3CCCC3)n(C)c2C)cc(OC)c1OC ZINC000064922104 568985874 /nfs/dbraw/zinc/98/58/74/568985874.db2.gz BSUCCNDLDJNURX-UHFFFAOYSA-N -1 0 437.518 2.396 50 0 IEAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2Cc1noc(C)n1 ZINC000064946866 568993853 /nfs/dbraw/zinc/99/38/53/568993853.db2.gz OBFBMWMUFFSGKW-UHFFFAOYSA-N -1 0 430.442 2.452 50 0 IEAARM O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(Cc3ccccn3)CC2)c2ccc(F)cc21 ZINC000036353682 569084090 /nfs/dbraw/zinc/08/40/90/569084090.db2.gz SLYBPTRMKSFDHF-OAQYLSRUSA-N -1 0 426.448 2.204 50 0 IEAARM O=C(Nc1ccccc1)c1nnc(C[N-]S(=O)(=O)c2cccc3nsnc32)s1 ZINC000064991680 569084704 /nfs/dbraw/zinc/08/47/04/569084704.db2.gz QQWJRWIRYMGNAC-UHFFFAOYSA-N -1 0 432.512 2.274 50 0 IEAARM O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(Cc3cccnc3)CC2)c2ccc(F)cc21 ZINC000036358880 569085399 /nfs/dbraw/zinc/08/53/99/569085399.db2.gz PFSBMPAQRGEIOX-OAQYLSRUSA-N -1 0 426.448 2.204 50 0 IEAARM Cc1nonc1CN1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)C(C)C)cc32)CC1 ZINC000036359476 569085771 /nfs/dbraw/zinc/08/57/71/569085771.db2.gz ZBZQZZKCNQRHSN-FQEVSTJZSA-N -1 0 440.504 2.397 50 0 IEAARM Cc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCOCC4)n3)cs2)cc1 ZINC000065097578 569103827 /nfs/dbraw/zinc/10/38/27/569103827.db2.gz NPCWKRJNJYKGFH-UHFFFAOYSA-N -1 0 434.499 2.380 50 0 IEAARM Cc1c(C)[n+]([O-])c([C@@H](c2ccco2)c2c([O-])n(C)c(=O)n(C)c2=O)n1Cc1ccccc1 ZINC000524735131 569127996 /nfs/dbraw/zinc/12/79/96/569127996.db2.gz XSDSXBYTCWGADT-SFHVURJKSA-N -1 0 436.468 2.178 50 0 IEAARM O=C([N-]S(=O)(=O)N1CCc2ccccc21)c1cc(Br)c2c(c1)OCCO2 ZINC000170613091 569146099 /nfs/dbraw/zinc/14/60/99/569146099.db2.gz CKDDBWBZNUBEJL-UHFFFAOYSA-N -1 0 439.287 2.258 50 0 IEAARM O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000009910835 569150522 /nfs/dbraw/zinc/15/05/22/569150522.db2.gz KPKVJHGKLMMINS-UHFFFAOYSA-N -1 0 441.494 2.362 50 0 IEAARM COc1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000013733477 569156933 /nfs/dbraw/zinc/15/69/33/569156933.db2.gz BCSACSLBTHUEIJ-NSHDSACASA-N -1 0 444.918 2.462 50 0 IEAARM O=S(=O)([N-]c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc2cccnc21 ZINC000014230171 569158187 /nfs/dbraw/zinc/15/81/87/569158187.db2.gz SSHRIQROCCLOOM-UHFFFAOYSA-N -1 0 433.511 2.057 50 0 IEAARM COc1cc(OC)c2c(C)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])c(=O)oc2c1 ZINC000002123099 569183802 /nfs/dbraw/zinc/18/38/02/569183802.db2.gz OJHFRIXGYNNJQJ-KRWDZBQOSA-N -1 0 425.437 2.473 50 0 biogenic IEAARM Cc1cc(=O)oc2cc(OCC(=O)N[C@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])ccc12 ZINC000002130072 569184416 /nfs/dbraw/zinc/18/44/16/569184416.db2.gz DJKPMGQAYBHPDA-LJQANCHMSA-N -1 0 436.420 2.479 50 0 biogenic IEAARM Cc1nc2cc(CCC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])ccc2n(C)c1=O ZINC000252485978 569186561 /nfs/dbraw/zinc/18/65/61/569186561.db2.gz HGKIQMBDADEGQY-HXUWFJFHSA-N -1 0 432.480 2.468 50 0 IEAARM CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C)C(=O)[O-])CC1 ZINC000252694670 569210853 /nfs/dbraw/zinc/21/08/53/569210853.db2.gz OBTZKGKFJMXNSU-QBPKDAKJSA-N -1 0 441.569 2.438 50 0 biogenic IEAARM CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C)C(=O)[O-])CC1 ZINC000252694420 569210915 /nfs/dbraw/zinc/21/09/15/569210915.db2.gz KIDORVQUOANXCJ-QEOTZNIISA-N -1 0 441.569 2.438 50 0 biogenic IEAARM CS(=O)(=O)c1ccc2nc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)sc2c1 ZINC000027756898 569296932 /nfs/dbraw/zinc/29/69/32/569296932.db2.gz IUUQYDQXNCSTGP-UHFFFAOYSA-N -1 0 426.497 2.272 50 0 IEAARM CNS(=O)(=O)c1cccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(OC(F)(F)F)cc2)c1 ZINC000095389908 569363436 /nfs/dbraw/zinc/36/34/36/569363436.db2.gz HOWUOKWQRYRKIH-OAHLLOKOSA-N -1 0 446.403 2.439 50 0 IEAARM CCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(SC(C)C)n[nH]2)cc1F ZINC000095448003 569367503 /nfs/dbraw/zinc/36/75/03/569367503.db2.gz GHTDBBZLDILXBY-UHFFFAOYSA-N -1 0 437.544 2.397 50 0 IEAARM COc1cc(F)c(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2-n2cc(C)cn2)cc1OC ZINC000095460457 569369594 /nfs/dbraw/zinc/36/95/94/569369594.db2.gz BAPHZGXMOXUVPF-UHFFFAOYSA-N -1 0 434.449 2.237 50 0 IEAARM CN(C)S(=O)(=O)c1ccc(C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)cc1 ZINC000095948650 569376360 /nfs/dbraw/zinc/37/63/60/569376360.db2.gz HWTFWENRYTVKSX-UHFFFAOYSA-N -1 0 427.482 2.315 50 0 IEAARM COC(=O)C[C@@H](c1cc(OC)c(O)c(OC)c1)c1c([O-])nc2ccc(Cl)cn2c1=O ZINC000096114620 569382865 /nfs/dbraw/zinc/38/28/65/569382865.db2.gz MENXRMIZTANFCW-LBPRGKRZSA-N -1 0 434.832 2.471 50 0 biogenic IEAARM CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)C2CC2)ccc1Oc1cc(C(=O)[O-])nn1C ZINC000096317635 569393677 /nfs/dbraw/zinc/39/36/77/569393677.db2.gz SHXYXRCPDSQWSH-LLVKDONJSA-N -1 0 436.490 2.336 50 0 IEAARM CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000008718248 569471273 /nfs/dbraw/zinc/47/12/73/569471273.db2.gz GCCISGKYBFVSHL-INIZCTEOSA-N -1 0 440.518 2.240 50 0 IEAARM Cc1c2ccc(O)cc2oc(=O)c1CC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)[O-] ZINC000008788954 569475856 /nfs/dbraw/zinc/47/58/56/569475856.db2.gz GRTGILMUNLVPMB-IBGZPJMESA-N -1 0 436.420 2.349 50 0 biogenic IEAARM CC(C)C[C@H](NC(=O)C1CCC(CNC(=O)[C@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000008790328 569476056 /nfs/dbraw/zinc/47/60/56/569476056.db2.gz KPZYKZKTIXZRHP-OTBWCIGPSA-N -1 0 441.569 2.438 50 0 IEAARM C[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000008790822 569476079 /nfs/dbraw/zinc/47/60/79/569476079.db2.gz YFECGJUZJGVOSH-CVEARBPZSA-N -1 0 447.532 2.049 50 0 biogenic IEAARM CSCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC000008893183 569483587 /nfs/dbraw/zinc/48/35/87/569483587.db2.gz SGYDNARVYPYITD-OAHLLOKOSA-N -1 0 434.967 2.063 50 0 IEAARM C[C@@]1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)Cc2ccccc2C(=O)O1 ZINC000009254201 569516331 /nfs/dbraw/zinc/51/63/31/569516331.db2.gz XNWGFONYVGHPDH-NRFANRHFSA-N -1 0 438.465 2.388 50 0 IEAARM COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000009295490 569520373 /nfs/dbraw/zinc/52/03/73/569520373.db2.gz ZNEQGGGSDYRRLG-GTVARFKMSA-N -1 0 434.473 2.106 50 0 IEAARM O=C([O-])COc1ccc(-c2nnn(Cc3cc4c(cc3Br)OCO4)n2)cc1 ZINC000009410015 569531206 /nfs/dbraw/zinc/53/12/06/569531206.db2.gz HZPGLVBPEZMREY-UHFFFAOYSA-N -1 0 433.218 2.343 50 0 IEAARM CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC000009495214 569540991 /nfs/dbraw/zinc/54/09/91/569540991.db2.gz BTXWQSAPLVOQIK-GOSISDBHSA-N -1 0 449.916 2.497 50 0 IEAARM COc1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccccc3)c(=O)[n-]2)cc1 ZINC000009518027 569543855 /nfs/dbraw/zinc/54/38/55/569543855.db2.gz YITAHTAWZWRRSI-UHFFFAOYSA-N -1 0 425.470 2.344 50 0 IEAARM COc1cc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc(OC)c1 ZINC000009674529 569559197 /nfs/dbraw/zinc/55/91/97/569559197.db2.gz UQWSLXNFMAJWOM-ROUUACIJSA-N -1 0 443.847 2.289 50 0 IEAARM COc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(Cl)c3)c(=O)c1=2 ZINC000009675338 569559269 /nfs/dbraw/zinc/55/92/69/569559269.db2.gz FHROQQARBOWTOR-IRXDYDNUSA-N -1 0 431.811 2.420 50 0 IEAARM COC(=O)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)cc1 ZINC000009675313 569559286 /nfs/dbraw/zinc/55/92/86/569559286.db2.gz NDWPKLAUBYQPOC-MOPGFXCFSA-N -1 0 435.440 2.022 50 0 IEAARM O=C(NC1CC1)c1cccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000009715528 569563098 /nfs/dbraw/zinc/56/30/98/569563098.db2.gz VZYYARMITQBARN-UHFFFAOYSA-N -1 0 449.554 2.164 50 0 IEAARM C[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC1CC1 ZINC000010210894 569578978 /nfs/dbraw/zinc/57/89/78/569578978.db2.gz HZYQYMOHNFPOBV-ZDUSSCGKSA-N -1 0 446.481 2.083 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(SC)c4)c=3c2=O)cc1 ZINC000010272398 569580181 /nfs/dbraw/zinc/58/01/81/569580181.db2.gz CFJXHEAUNJCDTB-QZTJIDSGSA-N -1 0 425.470 2.349 50 0 IEAARM COCCOc1cc(NS(=O)(=O)c2ccc(C(=O)OC)cc2)c(C(=O)[O-])cc1OC ZINC000010512153 569582648 /nfs/dbraw/zinc/58/26/48/569582648.db2.gz WNEULDLPDIQHPS-UHFFFAOYSA-N -1 0 439.442 2.006 50 0 IEAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(N3CCCCS3(=O)=O)cc2)c1 ZINC000010213421 132243585 /nfs/dbraw/zinc/24/35/85/132243585.db2.gz BCHSGJSXHREQLV-UHFFFAOYSA-N -1 0 426.516 2.435 50 0 IEAARM CC(=O)Nc1ccc(N2C(=O)c3cccc4c(N)c(S(=O)(=O)[O-])cc(c43)C2=O)cc1 ZINC000003045314 132260896 /nfs/dbraw/zinc/26/08/96/132260896.db2.gz KORQEUOGBYFWRL-UHFFFAOYSA-N -1 0 425.422 2.428 50 0 IEAARM O=C([O-])c1cnc2ccc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)cc2c1O ZINC000008602398 132286757 /nfs/dbraw/zinc/28/67/57/132286757.db2.gz GMVYQVRGVKHVCN-UHFFFAOYSA-N -1 0 431.445 2.289 50 0 IEAARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C1/C[C@@H](c2ccc3c(c2)OCO3)NN1 ZINC000013572999 132350775 /nfs/dbraw/zinc/35/07/75/132350775.db2.gz OYYJVRXXXKTNCU-FSLWVPIDSA-N -1 0 426.816 2.145 50 0 IEAARM COc1ccc([C@@H]2C/C(=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)NN2)cc1OC ZINC000013572032 132350796 /nfs/dbraw/zinc/35/07/96/132350796.db2.gz OVXRCFVBLWCTJF-JZYMCLRRSA-N -1 0 442.859 2.433 50 0 IEAARM CC(=O)Nc1ccc(/C=C(\C(=O)[O-])c2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 ZINC000012589326 519708805 /nfs/dbraw/zinc/70/88/05/519708805.db2.gz FSSYNHBTKAGYIS-VBKFSLOCSA-N -1 0 436.511 2.353 50 0 IEAARM CCOc1ccc(-c2nc3cc(=O)[n-]n3c(SCC(=O)Nc3nnc(C)s3)n2)cc1 ZINC000021537360 520821636 /nfs/dbraw/zinc/82/16/36/520821636.db2.gz OMGCWYOKYVGXQD-UHFFFAOYSA-N -1 0 443.514 2.374 50 0 IEAARM CCCc1cc(=O)oc2cc(C)cc(OCC(=O)NCC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)c12 ZINC000012871850 521347664 /nfs/dbraw/zinc/34/76/64/521347664.db2.gz DQPBJOLIGRNDDX-FPTDNZKUSA-N -1 0 446.500 2.164 50 0 biogenic IEAARM CCCCn1c(=O)[n-]n(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1=S ZINC000032935491 521353964 /nfs/dbraw/zinc/35/39/64/521353964.db2.gz JNCVJCMYXJKLEK-UHFFFAOYSA-N -1 0 445.998 2.125 50 0 IEAARM COc1cc(C(=O)N/C(=C/c2ccc(F)cc2)C(=O)N[C@H](C)C(=O)[O-])cc(OC)c1OC ZINC000012381009 522066806 /nfs/dbraw/zinc/06/68/06/522066806.db2.gz OMRSNRTZMWHYCR-GFQQVXNGSA-N -1 0 446.431 2.212 50 0 biogenic IEAARM COC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000012557236 522449941 /nfs/dbraw/zinc/44/99/41/522449941.db2.gz VNRWLSQKJNXWIC-UHFFFAOYSA-N -1 0 430.529 2.120 50 0 IEAARM COc1cc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCN(C)CC2)cc(OC)c1OC ZINC000022784305 522915287 /nfs/dbraw/zinc/91/52/87/522915287.db2.gz OPPMPUKWUNMSQB-INIZCTEOSA-N -1 0 433.534 2.167 50 0 IEAARM COc1ccc(CCNC(=O)Cn2c([O-])nc3c(-c4ccccc4)c[nH]c3c2=O)cc1OC ZINC000033037975 523960701 /nfs/dbraw/zinc/96/07/01/523960701.db2.gz NETKCVXZNHLTFD-UHFFFAOYSA-N -1 0 448.479 2.473 50 0 IEAARM COc1cccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)c1 ZINC000020945407 524096499 /nfs/dbraw/zinc/09/64/99/524096499.db2.gz ISHFXQCHRQHBNY-ORAYPTAESA-N -1 0 432.498 2.487 50 0 IEAARM COc1ccc([N-]S(=O)(=O)c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)cc1Cl ZINC000012235978 524684034 /nfs/dbraw/zinc/68/40/34/524684034.db2.gz RDNASYLZZACGTF-CYBMUJFWSA-N -1 0 433.939 2.322 50 0 IEAARM COc1ccccc1[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(C)=O ZINC000020945395 524788725 /nfs/dbraw/zinc/78/87/25/524788725.db2.gz MEYZQLZFZCRMPT-UGSOOPFHSA-N -1 0 432.498 2.487 50 0 IEAARM Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1S(=O)(=O)N1CCOCC1 ZINC000012557199 525295616 /nfs/dbraw/zinc/29/56/16/525295616.db2.gz PDRIFDVDTRTVRO-UHFFFAOYSA-N -1 0 432.470 2.095 50 0 IEAARM CSCC[C@H](NC(=O)[C@H]1CC[C@H](Cn2c(=O)[nH]c3ccccc3c2=O)CC1)C(=O)[O-] ZINC000238901795 525590789 /nfs/dbraw/zinc/59/07/89/525590789.db2.gz MSCBIGHCTPDBAI-ZQIUZPCESA-N -1 0 433.530 2.231 50 0 IEAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000021351683 527257898 /nfs/dbraw/zinc/25/78/98/527257898.db2.gz AGXVIFAZJDLQHQ-AWEZNQCLSA-N -1 0 429.502 2.007 50 0 IEAARM Cn1ncc(C(=O)[O-])c1C(=O)N1CCN(c2nc(-c3ccco3)cc(C(F)F)n2)CC1 ZINC000020616621 527568585 /nfs/dbraw/zinc/56/85/85/527568585.db2.gz DBPGLKVIJQXFDX-UHFFFAOYSA-N -1 0 432.387 2.068 50 0 IEAARM COc1ccccc1N1CCN(C(=O)C[C@@H]2N=C3c4ccccc4[N-]C(=S)N3C2=O)CC1 ZINC000002966953 537065839 /nfs/dbraw/zinc/06/58/39/537065839.db2.gz SGMPJGXDKMAGIG-KRWDZBQOSA-N -1 0 449.536 2.102 50 0 IEAARM COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(I)c1OCC(=O)[O-] ZINC000002972056 555869252 /nfs/dbraw/zinc/86/92/52/555869252.db2.gz FVHKFOFDAQGORZ-YHYXMXQVSA-N -1 0 449.222 2.429 50 0 IEAARM Nc1nc(SCC(=O)NCc2ccc(F)cc2)[n-]c(=O)c1NC(=O)c1cccs1 ZINC000002712463 556126033 /nfs/dbraw/zinc/12/60/33/556126033.db2.gz PBKVGJOXDGMVMP-UHFFFAOYSA-N -1 0 433.490 2.214 50 0 IEAARM COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)cc1 ZINC000002737358 556132187 /nfs/dbraw/zinc/13/21/87/556132187.db2.gz FTEFCZKEZJGLQJ-UHFFFAOYSA-N -1 0 434.499 2.395 50 0 IEAARM O=C(CCn1c(=S)[n-]c2cc3c(cc2c1=O)OCO3)NCc1ccc2c(c1)OCO2 ZINC000002975345 556153121 /nfs/dbraw/zinc/15/31/21/556153121.db2.gz NSPWPGIBOCGCTA-UHFFFAOYSA-N -1 0 427.438 2.223 50 0 IEAARM COc1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000013735035 556297451 /nfs/dbraw/zinc/29/74/51/556297451.db2.gz ATVFWPMOFVXUOX-NSHDSACASA-N -1 0 444.918 2.462 50 0 IEAARM O=C(CSc1nc([O-])c(Cc2ccccc2)c(=O)n1-c1ccccc1)N1CCOCC1 ZINC000013108308 556462010 /nfs/dbraw/zinc/46/20/10/556462010.db2.gz MITMCOHTJREVQY-UHFFFAOYSA-N -1 0 437.521 2.480 50 0 IEAARM O=C(NCCN1CCOCC1)C1(c2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)CC1 ZINC000033115501 556555550 /nfs/dbraw/zinc/55/55/50/556555550.db2.gz AENDIDCAYXHRRW-UHFFFAOYSA-N -1 0 447.532 2.107 50 0 IEAARM NC(=O)[N-]S(=O)(=O)c1ccc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000022204424 556578229 /nfs/dbraw/zinc/57/82/29/556578229.db2.gz NCHQPMNSKSSPDQ-UHFFFAOYSA-N -1 0 436.559 2.073 50 0 IEAARM CCCCN1C(=O)[N-]C(=O)C(=C(CC)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O ZINC000017028609 556653522 /nfs/dbraw/zinc/65/35/22/556653522.db2.gz JZGUWFZXVVASCW-WUKNDPDISA-N -1 0 425.489 2.439 50 0 IEAARM COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1c(C)cc(C)cc1C ZINC000011858334 556663889 /nfs/dbraw/zinc/66/38/89/556663889.db2.gz HLPVYGMSDRWUBM-UHFFFAOYSA-N -1 0 438.527 2.488 50 0 IEAARM Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C4CCC(CC4)[C@H]3C(=O)[O-])CC2)cc1C ZINC000017099019 556664007 /nfs/dbraw/zinc/66/40/07/556664007.db2.gz FZACPAHLSHTZRZ-OTGCGEFBSA-N -1 0 434.558 2.273 50 0 IEAARM Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3C4CCC(CC4)[C@@H]3C(=O)[O-])CC2)c1 ZINC000017099021 556664062 /nfs/dbraw/zinc/66/40/62/556664062.db2.gz YSSHBUWXFBVHDW-TZJYRCSTSA-N -1 0 434.558 2.273 50 0 IEAARM Cc1coc2cc3oc(=O)c(CCC(=O)NCC(=O)N[C@@H](C(=O)[O-])C(C)C)c(C)c3cc12 ZINC000011865410 556664555 /nfs/dbraw/zinc/66/45/55/556664555.db2.gz QHDQQLNDZGQXNY-OAQYLSRUSA-N -1 0 442.468 2.430 50 0 IEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](Cn2nnc3ccccc3c2=O)CC1 ZINC000584906339 556664702 /nfs/dbraw/zinc/66/47/02/556664702.db2.gz BXOSLHOJVFPWDV-WFXMLNOXSA-N -1 0 434.496 2.410 50 0 IEAARM CCCCCCc1c(C)c2ccc(OCC(=O)NCC(=O)NCC(=O)[O-])c(C)c2oc1=O ZINC000011866865 556667015 /nfs/dbraw/zinc/66/70/15/556667015.db2.gz HSSXAKFGBGUWOU-UHFFFAOYSA-N -1 0 446.500 2.228 50 0 biogenic IEAARM COc1cc2c(cc1OC)CN(Cc1coc(=O)c(C[NH+]3CCSCC3)c1[O-])CC2 ZINC000100797173 556675102 /nfs/dbraw/zinc/67/51/02/556675102.db2.gz RNDOJQWXHLGTGT-UHFFFAOYSA-N -1 0 432.542 2.470 50 0 biogenic IEAARM O=C(Cn1c([O-])nc2c(-c3ccccc3)c[nH]c2c1=O)N1CCN(Cc2ccccc2)CC1 ZINC000033037998 556723966 /nfs/dbraw/zinc/72/39/66/556723966.db2.gz XCGCUVLPWSKSNR-UHFFFAOYSA-N -1 0 443.507 2.442 50 0 IEAARM CCCCC(=O)Nc1ccc2nc(N3CCN(CC(=O)N(C)C)CC3)cc(C(=O)[O-])c2c1 ZINC000033260691 556897316 /nfs/dbraw/zinc/89/73/16/556897316.db2.gz YGARZALLISKPCE-UHFFFAOYSA-N -1 0 441.532 2.272 50 0 IEAARM CC(C)NC(=O)CN1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)C(C)C)ccc3n2)CC1 ZINC000033260668 556897440 /nfs/dbraw/zinc/89/74/40/556897440.db2.gz OTYXQSHEHKPWEM-UHFFFAOYSA-N -1 0 441.532 2.174 50 0 IEAARM O=C([O-])CCC(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000020150123 556991213 /nfs/dbraw/zinc/99/12/13/556991213.db2.gz CVDBZLDMVPLQGZ-MRXNPFEDSA-N -1 0 442.399 2.080 50 0 IEAARM COc1cc([C@H](c2sc3nc(C)nn3c2[O-])N2CCC(O)CC2)cc(OC)c1OC ZINC000023157960 557030786 /nfs/dbraw/zinc/03/07/86/557030786.db2.gz BBCUGSBOBISPMI-MRXNPFEDSA-N -1 0 434.518 2.377 50 0 IEAARM COc1cc(C)c(CN2CCN(S(=O)(=O)c3cc(C(=O)[O-])cs3)CC2)cc1OC ZINC000049609513 557115527 /nfs/dbraw/zinc/11/55/27/557115527.db2.gz ZQTIUFXZGDSWRB-UHFFFAOYSA-N -1 0 440.543 2.278 50 0 IEAARM Cc1nnc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)[n-]c1=O ZINC000024754711 557162974 /nfs/dbraw/zinc/16/29/74/557162974.db2.gz VQZCNJMOHUAXOA-UHFFFAOYSA-N -1 0 437.547 2.181 50 0 IEAARM Cc1c(C(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)sc2nc3n(c(=O)c12)CCCCC3 ZINC000025989449 557231686 /nfs/dbraw/zinc/23/16/86/557231686.db2.gz OWICKHKKOXOWFN-UHFFFAOYSA-N -1 0 443.529 2.392 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(SC)c4)c=3c2=O)cc1 ZINC000101166129 557257994 /nfs/dbraw/zinc/25/79/94/557257994.db2.gz CFJXHEAUNJCDTB-ZWKOTPCHSA-N -1 0 425.470 2.349 50 0 IEAARM CCOC(=O)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1 ZINC000101167449 557258338 /nfs/dbraw/zinc/25/83/38/557258338.db2.gz QALZFLJOSNPDHL-RTBURBONSA-N -1 0 435.440 2.104 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(F)c4)c=3c2=O)cc1Cl ZINC000101168830 557258974 /nfs/dbraw/zinc/25/89/74/557258974.db2.gz NJPSNMPAABTJEO-SJORKVTESA-N -1 0 431.811 2.420 50 0 IEAARM COc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(Cl)c4)c(=O)c2=3)c1 ZINC000101169608 557259191 /nfs/dbraw/zinc/25/91/91/557259191.db2.gz MWEISQKPEYZLKQ-IRXDYDNUSA-N -1 0 431.811 2.420 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4Cl)c=3c2=O)cc1OC ZINC000101169787 557259446 /nfs/dbraw/zinc/25/94/46/557259446.db2.gz JKHPCFOQJHXZNX-MSOLQXFVSA-N -1 0 443.847 2.289 50 0 IEAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc4c(c3)OCCO4)c(=O)c1=2)Nc1ccccc1Cl ZINC000101352912 557275125 /nfs/dbraw/zinc/27/51/25/557275125.db2.gz XSOZGOLLDNCZCO-MSOLQXFVSA-N -1 0 441.831 2.043 50 0 IEAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)c(OC)c1 ZINC000101389485 557282635 /nfs/dbraw/zinc/28/26/35/557282635.db2.gz BPLAUWVTULFLGY-UXHICEINSA-N -1 0 437.456 2.253 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(C)cc(C)c4)c=3c2=O)cc1OC ZINC000101390081 557282964 /nfs/dbraw/zinc/28/29/64/557282964.db2.gz UDNXBXNJAZEGAE-VQTJNVASSA-N -1 0 437.456 2.253 50 0 IEAARM COc1ccccc1-n1c(=O)[nH]c([O-])c(C2=NN(C(C)=O)[C@@H](c3sccc3C)C2)c1=O ZINC000101455606 557285964 /nfs/dbraw/zinc/28/59/64/557285964.db2.gz MHJXHPKHIPJQRM-OAHLLOKOSA-N -1 0 440.481 2.308 50 0 IEAARM COc1ccc(CCN(C(=O)C=CC(=O)[O-])[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000101485703 557287975 /nfs/dbraw/zinc/28/79/75/557287975.db2.gz UAKISVCGHUHSEG-GDWUOILNSA-N -1 0 440.427 2.178 50 0 IEAARM CCC(=O)N1N=C(c2c([O-])[nH]c(=S)n(C)c2=O)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000101495079 557289044 /nfs/dbraw/zinc/28/90/44/557289044.db2.gz OOJMQISROHXJEP-GFCCVEGCSA-N -1 0 448.501 2.262 50 0 IEAARM COc1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(-c4ccc(Cl)cc4)c3=O)=NN2)c(OC)c1 ZINC000101762664 557297434 /nfs/dbraw/zinc/29/74/34/557297434.db2.gz GQXACZJAGKLKGM-HNNXBMFYSA-N -1 0 442.859 2.341 50 0 IEAARM COCCCn1c(=O)c2ccc(Cl)cc2nc1SCc1cc(=O)n2nc[n-]c2n1 ZINC000101891401 557306006 /nfs/dbraw/zinc/30/60/06/557306006.db2.gz HYAOIEMBBGGHBZ-UHFFFAOYSA-N -1 0 432.893 2.110 50 0 IEAARM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cn2)ccc1I ZINC000095466404 557315938 /nfs/dbraw/zinc/31/59/38/557315938.db2.gz YPXDPNVTHSJVRY-UHFFFAOYSA-N -1 0 436.202 2.413 50 0 IEAARM Cc1cccc(C(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5)[n-]c4n3)CC2)c1 ZINC000102621600 557359660 /nfs/dbraw/zinc/35/96/60/557359660.db2.gz WMADNMNTUMGKEN-UHFFFAOYSA-N -1 0 428.496 2.351 50 0 IEAARM Cn1c2nc(-n3[n-]c(-c4ccco4)cc3=O)n(C/C=C/c3ccccc3)c2c(=O)n(C)c1=O ZINC000103805588 557441717 /nfs/dbraw/zinc/44/17/17/557441717.db2.gz FYLXWGFLWKGBMJ-UXBLZVDNSA-N -1 0 444.451 2.298 50 0 IEAARM CC(=O)c1ccc([N-]S(=O)(=O)c2c[nH]c(-c3nnc(C(=O)N4CCCC4)o3)c2)cc1 ZINC000085808511 557537162 /nfs/dbraw/zinc/53/71/62/557537162.db2.gz STEYWDGEVPMRNS-UHFFFAOYSA-N -1 0 429.458 2.304 50 0 IEAARM CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2CCCCC[C@@H]2C(=O)[O-])ccc1OC ZINC000225483122 557728336 /nfs/dbraw/zinc/72/83/36/557728336.db2.gz DTIXMFIRJXEXCQ-HOTGVXAUSA-N -1 0 426.535 2.489 50 0 IEAARM COc1cc(/C=C\C(=O)c2ccc(S(=O)(=O)NCCC(=O)[O-])cc2)cc2c1OCCO2 ZINC000096305120 557767377 /nfs/dbraw/zinc/76/73/77/557767377.db2.gz WJLNJJZXZBSGPZ-UQCOIBPSSA-N -1 0 447.465 2.116 50 0 IEAARM O=C([O-])C=CC(=O)N(C[C@H]1CCCO1)[C@H]1CC(=O)N(c2c(Cl)cccc2Cl)C1=O ZINC000009065189 562966837 /nfs/dbraw/zinc/96/68/37/562966837.db2.gz CSEXFXUVFPQNRI-GULGNGMXSA-N -1 0 441.267 2.274 50 0 IEAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000025076950 568634836 /nfs/dbraw/zinc/63/48/36/568634836.db2.gz SJQXXJXXLMEDFO-WIXQSORDSA-N -1 0 449.507 2.308 50 0 IEAARM CS(=O)(=O)c1ccc(-c2nnc(CCC(=O)NCc3ccc(F)cc3)c(=O)[n-]2)cc1 ZINC000034768689 568737925 /nfs/dbraw/zinc/73/79/25/568737925.db2.gz VTXRYSHMVBBZSQ-UHFFFAOYSA-N -1 0 430.461 2.036 50 0 IEAARM Cc1ccc(N2CCN(S(=O)(=O)c3ccc4ncc(C(=O)[O-])c(O)c4c3)C[C@H]2C)cc1 ZINC000015827461 568840872 /nfs/dbraw/zinc/84/08/72/568840872.db2.gz ZPSGHLYJHDKUJJ-OAHLLOKOSA-N -1 0 441.509 2.434 50 0 IEAARM CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)[N-]c4ccccc4OC)cc32)no1 ZINC000064450709 568928876 /nfs/dbraw/zinc/92/88/76/568928876.db2.gz VEJMVQBEPOYCIZ-UHFFFAOYSA-N -1 0 444.469 2.367 50 0 IEAARM O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(Cc3ccncc3)CC2)c2ccc(F)cc21 ZINC000036354601 569084191 /nfs/dbraw/zinc/08/41/91/569084191.db2.gz ABDRGHRKYLTQFE-OAQYLSRUSA-N -1 0 426.448 2.204 50 0 IEAARM Cc1noc(C)c1CN1CC[NH+]([C@@H](C(=O)[O-])c2cn(CC(=O)[O-])c3ccccc23)CC1 ZINC000036354824 569084208 /nfs/dbraw/zinc/08/42/08/569084208.db2.gz KXORMWRXCSECCD-OAQYLSRUSA-N -1 0 426.473 2.274 50 0 IEAARM CC[C@@H](C)[C@H](NC(=O)COc1ccc2c(c1)OC1(CCN(C(C)=O)CC1)CC2=O)C(=O)[O-] ZINC000036370038 569088577 /nfs/dbraw/zinc/08/85/77/569088577.db2.gz RXXJRICUTDGYGS-SZNDQCEHSA-N -1 0 446.500 2.027 50 0 biogenic IEAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2onc(C(=O)N3CCOCC3)c2c1 ZINC000065115474 569106875 /nfs/dbraw/zinc/10/68/75/569106875.db2.gz MMTATVZLMMTASX-UHFFFAOYSA-N -1 0 431.470 2.418 50 0 IEAARM O=C([O-])CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C1=O)[C@@H]1[C@H]3Sc2[nH]c(=O)sc2C12CCCCC2 ZINC000238899338 569137717 /nfs/dbraw/zinc/13/77/17/569137717.db2.gz FUPMLKHYFHMFNU-UBRACPCVSA-N -1 0 448.566 2.454 50 0 IEAARM COC(=O)c1sccc1S(=O)(=O)NCCn1nc(-c2cnccn2)cc1C1CC1 ZINC000238963270 569138142 /nfs/dbraw/zinc/13/81/42/569138142.db2.gz YSBRCSRVKVNIAW-UHFFFAOYSA-N -1 0 433.515 2.044 50 0 IEAARM Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCSC[C@H]3c3nnn[n-]3)c12 ZINC000170600602 569142908 /nfs/dbraw/zinc/14/29/08/569142908.db2.gz OVMMSFSXLTUWFN-ZDUSSCGKSA-N -1 0 426.531 2.449 50 0 IEAARM CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)nn2)s1 ZINC000170609223 569144813 /nfs/dbraw/zinc/14/48/13/569144813.db2.gz PRUYNOVCPALWBE-UHFFFAOYSA-N -1 0 432.593 2.118 50 0 IEAARM COc1cc2c(cc1OC)[C@H](c1c([O-])[nH]c(=O)n(-c3cccc(Cl)c3)c1=O)NCC2 ZINC000002137379 569185209 /nfs/dbraw/zinc/18/52/09/569185209.db2.gz HVNWKOJCMPRHMS-GOSISDBHSA-N -1 0 429.860 2.137 50 0 biogenic IEAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCCC(=O)NCCNC(C)=O)c3=O)c2c1 ZINC000020329167 569360786 /nfs/dbraw/zinc/36/07/86/569360786.db2.gz UTYUBIZECJWGLY-UHFFFAOYSA-N -1 0 445.545 2.362 50 0 IEAARM CC(=O)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3nncs3)cc2)cc1 ZINC000095445368 569367081 /nfs/dbraw/zinc/36/70/81/569367081.db2.gz PXCRVJSLWCSUIB-UHFFFAOYSA-N -1 0 438.512 2.342 50 0 IEAARM O=S(=O)([N-]c1nncs1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000095445373 569367145 /nfs/dbraw/zinc/36/71/45/569367145.db2.gz VVHPSAZYHJFQAR-UHFFFAOYSA-N -1 0 432.455 2.418 50 0 IEAARM COC(=O)c1ccc(OC)c(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c1 ZINC000095481471 569374070 /nfs/dbraw/zinc/37/40/70/569374070.db2.gz ICXKDMNISLCUNS-IAGOWNOFSA-N -1 0 430.367 2.253 50 0 IEAARM COC(=O)c1ccc(OC)c(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c1 ZINC000095481469 569374085 /nfs/dbraw/zinc/37/40/85/569374085.db2.gz ICXKDMNISLCUNS-DLBZAZTESA-N -1 0 430.367 2.253 50 0 IEAARM CCCO[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)[O-])o3)CC2)CC1 ZINC000095969728 569377337 /nfs/dbraw/zinc/37/73/37/569377337.db2.gz SCTQVMKGOZQJEN-MRXNPFEDSA-N -1 0 442.534 2.186 50 0 IEAARM CCC(CC)C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nnc(C)s3)CS[C@H]12 ZINC000002805504 569422592 /nfs/dbraw/zinc/42/25/92/569422592.db2.gz PQSBHRORRXNBDK-XHDPSFHLSA-N -1 0 442.588 2.113 50 0 IEAARM CCC(CC)C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nnc(C)s3)CS[C@@H]12 ZINC000002805506 569422619 /nfs/dbraw/zinc/42/26/19/569422619.db2.gz PQSBHRORRXNBDK-NHYWBVRUSA-N -1 0 442.588 2.113 50 0 IEAARM CCC(CC)C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nnc(C)s3)CS[C@H]12 ZINC000002805503 569422657 /nfs/dbraw/zinc/42/26/57/569422657.db2.gz PQSBHRORRXNBDK-IAQYHMDHSA-N -1 0 442.588 2.113 50 0 IEAARM O=C(NCc1ccco1)c1ccc2c(c1)[n-]c(=S)n(CCCN1CCCC1=O)c2=O ZINC000002970722 569433407 /nfs/dbraw/zinc/43/34/07/569433407.db2.gz QUFDMVBOHDAZAR-UHFFFAOYSA-N -1 0 426.498 2.221 50 0 IEAARM O=C(c1ccc2c(c1)[n-]c(=S)n(Cc1ccco1)c2=O)N1CCC2(CC1)OCCO2 ZINC000002970909 569433440 /nfs/dbraw/zinc/43/34/40/569433440.db2.gz FOQRRWCMWOJIQL-UHFFFAOYSA-N -1 0 427.482 2.306 50 0 IEAARM COc1ccc(C(=O)NCCNc2cnccn2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000031598389 569456823 /nfs/dbraw/zinc/45/68/23/569456823.db2.gz KLUUTJHWNJKJFZ-UHFFFAOYSA-N -1 0 441.513 2.436 50 0 IEAARM O=C([O-])/C=C/C(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])[NH+]1CCN(c2ccccn2)CC1 ZINC000031818159 569458066 /nfs/dbraw/zinc/45/80/66/569458066.db2.gz ZIGSKPHCQQLLMF-WMWRJIBUSA-N -1 0 449.467 2.090 50 0 IEAARM CC(=O)N1[C@H](C)CN(c2c(F)c(N)c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@@H]1C ZINC000032088018 569459507 /nfs/dbraw/zinc/45/95/07/569459507.db2.gz LRMADKFQHZGZLJ-AOOOYVTPSA-N -1 0 434.443 2.341 50 0 IEAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1 ZINC000032095514 569459848 /nfs/dbraw/zinc/45/98/48/569459848.db2.gz USIWNDXCNMTDHM-OAHLLOKOSA-N -1 0 449.916 2.152 50 0 IEAARM CS(=O)(=O)N1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(OCc4ccccc4)cc32)CC1 ZINC000032097044 569459951 /nfs/dbraw/zinc/45/99/51/569459951.db2.gz MOYTUWNJMLZOOD-OAQYLSRUSA-N -1 0 443.525 2.450 50 0 IEAARM CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N2CCC[C@H]2C(=O)[O-])CC1 ZINC000008918048 569486233 /nfs/dbraw/zinc/48/62/33/569486233.db2.gz JZWFWMYSUQZTEL-XIRDDKMYSA-N -1 0 439.553 2.240 50 0 biogenic IEAARM COc1ccc(OC)c(CN2CCN(C(=O)c3sccc3[N-]S(C)(=O)=O)CC2)c1 ZINC000040135228 569490645 /nfs/dbraw/zinc/49/06/45/569490645.db2.gz PEELDEBYHPSUAO-UHFFFAOYSA-N -1 0 439.559 2.095 50 0 IEAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cccc(-n2cnnn2)c1 ZINC000009319660 569522481 /nfs/dbraw/zinc/52/24/81/569522481.db2.gz ILTBRICUEVRWEQ-UHFFFAOYSA-N -1 0 427.471 2.172 50 0 IEAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cnc2sccn2c1=O ZINC000009381283 569528104 /nfs/dbraw/zinc/52/81/04/569528104.db2.gz WEBGQGFKRSAJGM-UHFFFAOYSA-N -1 0 433.496 2.266 50 0 IEAARM CCOc1ccc([N-]S(=O)(=O)c2c(C)noc2C)cc1S(=O)(=O)N1CCCC1 ZINC000009468844 569538638 /nfs/dbraw/zinc/53/86/38/569538638.db2.gz ZDGRDKMRPSUBFU-UHFFFAOYSA-N -1 0 429.520 2.275 50 0 IEAARM COCCCNC(=O)CSc1nc2ccsc2c(=O)n1CCCCCC(=O)[O-] ZINC000009474753 569539031 /nfs/dbraw/zinc/53/90/31/569539031.db2.gz IJKCYGDVQQMRSJ-UHFFFAOYSA-N -1 0 427.548 2.348 50 0 IEAARM COc1ccc(S(=O)(=O)[N-]c2cc(N3CCCS3(=O)=O)ccc2OC)cc1F ZINC000009569129 569547592 /nfs/dbraw/zinc/54/75/92/569547592.db2.gz VEACILOYSVKNQC-UHFFFAOYSA-N -1 0 430.479 2.184 50 0 IEAARM COc1ccc(-c2cc(C(=O)[O-])c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3n2)cc1OC ZINC000009779465 569567380 /nfs/dbraw/zinc/56/73/80/569567380.db2.gz OZZBOWXJYDKECY-CYBMUJFWSA-N -1 0 431.470 2.482 50 0 IEAARM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cnc(N2CCN(c3ccccn3)CC2)nc1 ZINC000077196727 569586069 /nfs/dbraw/zinc/58/60/69/569586069.db2.gz BEIQPJZKUZCKBQ-UHFFFAOYSA-N -1 0 428.493 2.447 50 0 IEAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)N(CC(=O)OC)C(=O)CS2 ZINC000009153236 132307044 /nfs/dbraw/zinc/30/70/44/132307044.db2.gz LAMMMVWHQXXQFK-UHFFFAOYSA-N -1 0 436.511 2.498 50 0 IEAARM CC(C)C[C@H](NC(=O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000012662521 519382781 /nfs/dbraw/zinc/38/27/81/519382781.db2.gz JFPKRMBOMUPSRN-IRXDYDNUSA-N -1 0 439.553 2.240 50 0 biogenic IEAARM CC(C)C[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000252694437 519390329 /nfs/dbraw/zinc/39/03/29/519390329.db2.gz KPZYKZKTIXZRHP-QAETUUGQSA-N -1 0 441.569 2.438 50 0 biogenic IEAARM CCCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)ccc12 ZINC000012871294 521348850 /nfs/dbraw/zinc/34/88/50/521348850.db2.gz MAADTXLXEYXYCO-ZSEKCTLFSA-N -1 0 446.500 2.164 50 0 biogenic IEAARM CCN1CCN([C@@H](c2sc3ncnn3c2[O-])c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000022030992 521692667 /nfs/dbraw/zinc/69/26/67/521692667.db2.gz JWACXBYAQDWQOI-MRXNPFEDSA-N -1 0 433.534 2.249 50 0 IEAARM CCN1CCN([C@H](c2sc3ncnn3c2[O-])c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000022030988 521695845 /nfs/dbraw/zinc/69/58/45/521695845.db2.gz JWACXBYAQDWQOI-INIZCTEOSA-N -1 0 433.534 2.249 50 0 IEAARM CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N[C@H](C)C(=O)[O-] ZINC000012883501 521968949 /nfs/dbraw/zinc/96/89/49/521968949.db2.gz HORMGZBYZMQGQC-KMNYLQIESA-N -1 0 447.557 2.155 50 0 biogenic IEAARM CC[C@@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1)C(=O)[O-] ZINC000012864129 522373148 /nfs/dbraw/zinc/37/31/48/522373148.db2.gz YDEOZOCNAWLVML-PVAVHDDUSA-N -1 0 441.569 2.390 50 0 biogenic IEAARM COc1ccc(OC)c([C@@H](c2sc3nc(C)nn3c2[O-])N2CCN(C(C)=O)CC2)c1 ZINC000022627514 524888367 /nfs/dbraw/zinc/88/83/67/524888367.db2.gz HYVJJOSGQXWYIN-KRWDZBQOSA-N -1 0 431.518 2.076 50 0 IEAARM COc1ccc(OC)c([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccnc2)c1 ZINC000035088561 524899348 /nfs/dbraw/zinc/89/93/48/524899348.db2.gz BDPLDTAWXWEASQ-VKJFTORMSA-N -1 0 425.363 2.203 50 0 IEAARM NC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000069510403 526869884 /nfs/dbraw/zinc/86/98/84/526869884.db2.gz LZNIDEQBUMZSBJ-UHFFFAOYSA-N -1 0 427.276 2.218 50 0 IEAARM CCCCOc1ccc(-c2nnc(CCC(=O)NCCCN3CCOCC3)c(=O)[n-]2)cc1 ZINC000034763306 555905028 /nfs/dbraw/zinc/90/50/28/555905028.db2.gz SVPPYCPXWIPWCX-UHFFFAOYSA-N -1 0 443.548 2.194 50 0 IEAARM COc1cc(OC)cc(-c2nnc(CCC(=O)NCc3ccc4c(c3)OCO4)c(=O)[n-]2)c1 ZINC000034768192 555907427 /nfs/dbraw/zinc/90/74/27/555907427.db2.gz BQQLAGSYHISYGY-UHFFFAOYSA-N -1 0 438.440 2.239 50 0 IEAARM COc1ccc(NC(=O)C2=NN(C)C(=O)CC2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000008746717 556210053 /nfs/dbraw/zinc/21/00/53/556210053.db2.gz JYVUEJRFQQGPIS-UHFFFAOYSA-N -1 0 434.449 2.182 50 0 IEAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000009190872 556252913 /nfs/dbraw/zinc/25/29/13/556252913.db2.gz SFRPWCFNFOGIFW-HNNXBMFYSA-N -1 0 437.481 2.269 50 0 IEAARM COc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccnc2)cc1OC ZINC000011859164 556367743 /nfs/dbraw/zinc/36/77/43/556367743.db2.gz XFIDXAICANIFSG-MPGHIAIKSA-N -1 0 425.363 2.203 50 0 IEAARM CCOC(=O)C1=C([O-])C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000013120395 556472363 /nfs/dbraw/zinc/47/23/63/556472363.db2.gz XXHTZOMEXOFEAE-MRXNPFEDSA-N -1 0 436.873 2.451 50 0 IEAARM COc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1S(=O)(=O)N(C)C ZINC000013196235 556498669 /nfs/dbraw/zinc/49/86/69/556498669.db2.gz CVZWOFYAKWTTMX-UHFFFAOYSA-N -1 0 448.906 2.098 50 0 IEAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000013236809 556500432 /nfs/dbraw/zinc/50/04/32/556500432.db2.gz FFKQUONCBPVPGK-MOPGFXCFSA-N -1 0 436.468 2.103 50 0 IEAARM O=C([O-])[C@@H](Cc1cc2ccccc2[nH]1)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000030834192 556507196 /nfs/dbraw/zinc/50/71/96/556507196.db2.gz FESZYFZYMGTYTD-LJQANCHMSA-N -1 0 427.482 2.269 50 0 IEAARM O=C([O-])c1sccc1S(=O)(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000032885534 556510268 /nfs/dbraw/zinc/51/02/68/556510268.db2.gz XYGYNXWRNKGORU-UHFFFAOYSA-N -1 0 438.571 2.496 50 0 IEAARM COc1cc2c(cc1OC)[C@H](c1c([O-])[nH]c(=O)n(-c3ccc(Cl)cc3)c1=O)NCC2 ZINC000016996417 556652429 /nfs/dbraw/zinc/65/24/29/556652429.db2.gz BKXXKCNWHLPJKW-GOSISDBHSA-N -1 0 429.860 2.137 50 0 biogenic IEAARM O=S(=O)([N-]c1cc(-c2ccco2)nn1[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 ZINC000011795957 556657165 /nfs/dbraw/zinc/65/71/65/556657165.db2.gz XOZAYGQBYMSHPK-ZDUSSCGKSA-N -1 0 425.463 2.443 50 0 IEAARM COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000011978298 556678084 /nfs/dbraw/zinc/67/80/84/556678084.db2.gz BNXKUWKQBHDXLM-UHFFFAOYSA-N -1 0 448.881 2.355 50 0 IEAARM CC(C)C[C@@H](NC(=O)C1CCC(CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000008790221 556799025 /nfs/dbraw/zinc/79/90/25/556799025.db2.gz KPZYKZKTIXZRHP-RDHHWEPZSA-N -1 0 441.569 2.438 50 0 IEAARM Cn1c([O-])c([C@@H]2C(c3ccccc3)=NN=C(c3ccc(Cl)cc3)N2O)c(=O)n(C)c1=O ZINC000096602279 556837829 /nfs/dbraw/zinc/83/78/29/556837829.db2.gz YOUZIKPMNMKFHC-QGZVFWFLSA-N -1 0 439.859 2.040 50 0 IEAARM CCOc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C(=O)Nc2nc[nH]n2)cc1 ZINC000023140766 557067656 /nfs/dbraw/zinc/06/76/56/557067656.db2.gz NRSOJXXAIKXFFD-UHFFFAOYSA-N -1 0 447.473 2.274 50 0 IEAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1cnn(C[C@@H]2COc3ccccc3O2)c1 ZINC000206847523 557166319 /nfs/dbraw/zinc/16/63/19/557166319.db2.gz XEGXHJCILHFTMS-CYBMUJFWSA-N -1 0 435.483 2.372 50 0 IEAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1Cl ZINC000100033089 557238081 /nfs/dbraw/zinc/23/80/81/557238081.db2.gz PGIKYWJVLCQYQP-DLBZAZTESA-N -1 0 431.811 2.420 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Cl)cc4)c=3c2=O)cc1OC ZINC000101169801 557259415 /nfs/dbraw/zinc/25/94/15/557259415.db2.gz QXTDQFHPEQLLPL-MSOLQXFVSA-N -1 0 443.847 2.289 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(C)ccc4C)c=3c2=O)cc1OC ZINC000101169873 557259700 /nfs/dbraw/zinc/25/97/00/557259700.db2.gz UAQWPEKOMDLDOH-VQTJNVASSA-N -1 0 437.456 2.253 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4)c=3c2=O)cc1OC ZINC000101170080 557259727 /nfs/dbraw/zinc/25/97/27/557259727.db2.gz PDHHBNXFPFCOHX-ROUUACIJSA-N -1 0 443.847 2.289 50 0 IEAARM COc1ccc(Cl)cc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2 ZINC000101388200 557282377 /nfs/dbraw/zinc/28/23/77/557282377.db2.gz VUVKKZUXXQAZDA-SJORKVTESA-N -1 0 431.811 2.420 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)NCc4ccc(C)cc4)c=3c2=O)cc1Cl ZINC000101388659 557282678 /nfs/dbraw/zinc/28/26/78/557282678.db2.gz OVWBGISCGRDQHF-OALUTQOASA-N -1 0 441.875 2.267 50 0 IEAARM CC[C@@H](C)[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1)C(=O)[O-] ZINC000101412579 557284467 /nfs/dbraw/zinc/28/44/67/557284467.db2.gz QWAQVSQFHMTKIR-IAQYHMDHSA-N -1 0 440.547 2.429 50 0 IEAARM COc1ccccc1-n1c(=O)[nH]c([O-])c(C2=NN(C(C)=O)[C@@H](c3ccc(C)s3)C2)c1=O ZINC000101456042 557286665 /nfs/dbraw/zinc/28/66/65/557286665.db2.gz YJNWETSJINYOJS-OAHLLOKOSA-N -1 0 440.481 2.308 50 0 IEAARM CCOc1ccccc1[C@@H]1CC(c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2[O-])=NN1C(C)=O ZINC000101456863 557287446 /nfs/dbraw/zinc/28/74/46/557287446.db2.gz QEZHPUAWLLERHG-IBGZPJMESA-N -1 0 448.479 2.387 50 0 IEAARM CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2[O-])C[C@@H]1c1ccc(O)cc1 ZINC000101765239 557295275 /nfs/dbraw/zinc/29/52/75/557295275.db2.gz AJUGCWOUZWNGBW-GOSISDBHSA-N -1 0 434.452 2.084 50 0 IEAARM CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2[O-])C[C@H]1c1ccc(O)cc1 ZINC000101765235 557295495 /nfs/dbraw/zinc/29/54/95/557295495.db2.gz AJUGCWOUZWNGBW-SFHVURJKSA-N -1 0 434.452 2.084 50 0 IEAARM CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2[O-])C[C@@H]1c1ccccc1OC ZINC000101765205 557295564 /nfs/dbraw/zinc/29/55/64/557295564.db2.gz ZDTPENAEYSNSSM-GOSISDBHSA-N -1 0 448.479 2.387 50 0 IEAARM COc1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(-c4cccc(Cl)c4)c3=O)=NN2)cc1OC ZINC000101763084 557297418 /nfs/dbraw/zinc/29/74/18/557297418.db2.gz XLZHASVXSZMJOE-AWEZNQCLSA-N -1 0 442.859 2.341 50 0 IEAARM COc1ccc(OC)c([C@H]2CC(c3c([O-])[nH]c(=O)n(-c4ccc(Cl)cc4)c3=O)=NN2)c1 ZINC000101762637 557297607 /nfs/dbraw/zinc/29/76/07/557297607.db2.gz ILHFWWGOYQSNRT-OAHLLOKOSA-N -1 0 442.859 2.341 50 0 IEAARM COc1ccc(OC)c([C@@H]2CC(c3c([O-])[nH]c(=O)n(-c4cc(C)cc(C)c4)c3=O)=NN2)c1 ZINC000101762968 557297611 /nfs/dbraw/zinc/29/76/11/557297611.db2.gz QJOZXQQSFHKWEO-KRWDZBQOSA-N -1 0 436.468 2.304 50 0 IEAARM O=c1c2[n-][nH]n(Cc3nc(-c4ccc5c(c4)OCO5)no3)c=2c(=O)n1-c1cccc(F)c1 ZINC000101893648 557306400 /nfs/dbraw/zinc/30/64/00/557306400.db2.gz ONFKLWCCCNVMKY-IRXDYDNUSA-N -1 0 436.359 2.098 50 0 IEAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3c(F)c(F)cc(F)c3F)c(=O)c1=2)Nc1cccc(F)c1 ZINC000102001374 557311652 /nfs/dbraw/zinc/31/16/52/557311652.db2.gz BODXOKUFFXGOPP-GOEBONIOSA-N -1 0 439.300 2.314 50 0 IEAARM COC(=O)c1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2 ZINC000102436972 557322922 /nfs/dbraw/zinc/32/29/22/557322922.db2.gz SOKOTAMBDGNLTM-IAGOWNOFSA-N -1 0 441.831 2.059 50 0 IEAARM COc1ccccc1CCN(C(=O)C=CC(=O)[O-])[C@H]1CC(=O)N(c2ccccc2C)C1=O ZINC000033643741 557341300 /nfs/dbraw/zinc/34/13/00/557341300.db2.gz PVQIJCLVISYLRY-JZHDPFOFSA-N -1 0 436.464 2.348 50 0 IEAARM CCc1nn2c([n-]1)nc(CSc1nnc(NC(=O)c3ccccc3OC)s1)cc2=O ZINC000102621425 557359672 /nfs/dbraw/zinc/35/96/72/557359672.db2.gz YWFHMMYNCPTXJJ-UHFFFAOYSA-N -1 0 443.514 2.385 50 0 IEAARM O=C([O-])CCn1cc([C@H](C(=O)[O-])[N@@H+]2CCCN(c3ncccn3)CC2)c2ccc(F)cc21 ZINC000105696211 557509739 /nfs/dbraw/zinc/50/97/39/557509739.db2.gz BRSMVDUDBLLSLU-HXUWFJFHSA-N -1 0 441.463 2.383 50 0 IEAARM COc1cc(CNC(C)=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(OC)c1OC ZINC000025179025 557528791 /nfs/dbraw/zinc/52/87/91/557528791.db2.gz YJXJVQINMYFZGP-LDADJPATSA-N -1 0 443.431 2.498 50 0 IEAARM CCOc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1O[C@H](C)C(=O)N(C)C ZINC000096403055 557805800 /nfs/dbraw/zinc/80/58/00/557805800.db2.gz LBXYSGMJWQKYDN-BTAWCLGRSA-N -1 0 438.527 2.227 50 0 IEAARM C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1)C(=O)NC(N)=O ZINC000003343508 562934525 /nfs/dbraw/zinc/93/45/25/562934525.db2.gz BKSZLJOKXDDINK-SECBINFHSA-N -1 0 443.840 2.020 50 0 IEAARM COc1ccc(OC)c2c1cc(C(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccccc1)n2C ZINC000008789999 562964120 /nfs/dbraw/zinc/96/41/20/562964120.db2.gz RQJIDOSWDOQYOX-ORAYPTAESA-N -1 0 439.468 2.256 50 0 biogenic IEAARM COc1ccc(CCNC(=O)c2c([O-])c3cc(OC)c(OC)cc3[nH]c2=O)cc1OC ZINC000009320178 562969313 /nfs/dbraw/zinc/96/93/13/562969313.db2.gz SLVPWEZOVOGEQF-UHFFFAOYSA-N -1 0 428.441 2.241 50 0 biogenic IEAARM C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccccn4)o3)cc2)C[C@@H](C)O1 ZINC000009428022 562970490 /nfs/dbraw/zinc/97/04/90/562970490.db2.gz QTFMUTWTGGVABQ-ZIAGYGMSSA-N -1 0 443.485 2.182 50 0 IEAARM COC(=O)[C@@H]1[C@H](OS(=O)(=O)[O-])CC[C@@H]2CN3CCc4c5ccccc5[nH]c4[C@H]3C[C@@H]21 ZINC000247864799 568632332 /nfs/dbraw/zinc/63/23/32/568632332.db2.gz XBZJQPNSUUABAM-SHXNRTNRSA-N -1 0 434.514 2.474 50 0 IEAARM COC(=O)[C@@H]1[C@H](OS(=O)(=O)[O-])CC[C@@H]2CN3CCc4c5ccccc5[nH]c4[C@H]3C[C@H]21 ZINC000247864794 568632363 /nfs/dbraw/zinc/63/23/63/568632363.db2.gz XBZJQPNSUUABAM-RWULDMNWSA-N -1 0 434.514 2.474 50 0 IEAARM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N(C)Cc3cnn(-c4ccccc4)c3)cc2)[n-]1 ZINC000031652739 568741451 /nfs/dbraw/zinc/74/14/51/568741451.db2.gz FELAJWCMVDSWDY-UHFFFAOYSA-N -1 0 445.479 2.339 50 0 IEAARM COc1ccc(CNS(=O)(=O)c2ccc(C[C@@H]3SC(=O)[N-]C3=O)cc2)cc1OC ZINC000001395209 568785965 /nfs/dbraw/zinc/78/59/65/568785965.db2.gz LQSAHGZLGVXBKB-KRWDZBQOSA-N -1 0 436.511 2.076 50 0 IEAARM C[C@H]1CN(C(=O)COC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)C[C@H](C)O1 ZINC000006343433 568892975 /nfs/dbraw/zinc/89/29/75/568892975.db2.gz APFVPAAJDBCMHG-KBPBESRZSA-N -1 0 438.527 2.342 50 0 IEAARM COc1cn(-c2ccccc2)nc1C(=O)[N-]S(=O)(=O)CCC(=O)OCc1ccccc1 ZINC000089484136 568926740 /nfs/dbraw/zinc/92/67/40/568926740.db2.gz UDQAECMPGOCWRS-UHFFFAOYSA-N -1 0 443.481 2.074 50 0 IEAARM CC(C)C(=O)Nc1ccc(N2CCN(CC(=O)NCc3ccccc3)CC2)cc1C(=O)[O-] ZINC000064589722 568935092 /nfs/dbraw/zinc/93/50/92/568935092.db2.gz UXTZESCITHASHQ-UHFFFAOYSA-N -1 0 438.528 2.418 50 0 IEAARM Cc1noc(C)c1CN1CC[NH+]([C@H](C(=O)[O-])c2cn(CC(=O)[O-])c3ccccc23)CC1 ZINC000036354823 569084204 /nfs/dbraw/zinc/08/42/04/569084204.db2.gz KXORMWRXCSECCD-NRFANRHFSA-N -1 0 426.473 2.274 50 0 IEAARM Cc1nonc1CN1CCN([C@H](C(=O)[O-])c2c[nH]c3cc(NC(=O)C(C)C)ccc32)CC1 ZINC000036359513 569085800 /nfs/dbraw/zinc/08/58/00/569085800.db2.gz LKVPZALEXLJUJF-FQEVSTJZSA-N -1 0 440.504 2.397 50 0 IEAARM Cc1noc(C)c1CN1CC[NH+]([C@@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(F)ccc23)CC1 ZINC000036366989 569086962 /nfs/dbraw/zinc/08/69/62/569086962.db2.gz UUWWKEAFBPPMHJ-OAQYLSRUSA-N -1 0 444.463 2.413 50 0 IEAARM Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCSC[C@@H]3c3nnn[n-]3)c12 ZINC000170600601 569142735 /nfs/dbraw/zinc/14/27/35/569142735.db2.gz OVMMSFSXLTUWFN-CYBMUJFWSA-N -1 0 426.531 2.449 50 0 IEAARM COc1ccc(C(=O)N/C(=C\c2ccc3c(c2)OCO3)C(=O)NCCCC(=O)[O-])cc1 ZINC000013464804 569155503 /nfs/dbraw/zinc/15/55/03/569155503.db2.gz ULCRZMSMCKRLQJ-BOPFTXTBSA-N -1 0 426.425 2.176 50 0 IEAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3S(C)(=O)=O)c1 ZINC000016944934 569166903 /nfs/dbraw/zinc/16/69/03/569166903.db2.gz IDRFEYJQRRPRON-UHFFFAOYSA-N -1 0 426.516 2.217 50 0 IEAARM Cc1coc2cc3oc(=O)c(CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(C)c3cc12 ZINC000002111197 569181998 /nfs/dbraw/zinc/18/19/98/569181998.db2.gz MIPWNHPPGODEFF-KRWDZBQOSA-N -1 0 442.468 2.430 50 0 biogenic IEAARM COc1ccc2c(C)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])c(=O)oc2c1OC ZINC000002113934 569182202 /nfs/dbraw/zinc/18/22/02/569182202.db2.gz DEQOICHXFMLPKQ-KRWDZBQOSA-N -1 0 425.437 2.473 50 0 biogenic IEAARM Cc1oc2cc3oc(=O)c(CC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)c(C)c3cc2c1C ZINC000002124756 569183926 /nfs/dbraw/zinc/18/39/26/569183926.db2.gz IXPUSTQCKVWLNJ-NRFANRHFSA-N -1 0 442.468 2.349 50 0 biogenic IEAARM CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C)C(=O)[O-])CC1 ZINC000252694418 569210935 /nfs/dbraw/zinc/21/09/35/569210935.db2.gz KIDORVQUOANXCJ-HHARLNAUSA-N -1 0 441.569 2.438 50 0 biogenic IEAARM CC[C@H](C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000252695010 569211047 /nfs/dbraw/zinc/21/10/47/569211047.db2.gz SZPHHKGIDOFWOT-WOYTXXSLSA-N -1 0 441.569 2.438 50 0 biogenic IEAARM O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc3c(c1)OCO3)c2=O ZINC000003051713 569211334 /nfs/dbraw/zinc/21/13/34/569211334.db2.gz PMKXKTCDXITRPC-OAHLLOKOSA-N -1 0 439.493 2.371 50 0 IEAARM Nc1c(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc(Br)cc1C(=O)[O-] ZINC000328590033 569316784 /nfs/dbraw/zinc/31/67/84/569316784.db2.gz XIGVRJKWAKUJGA-UHFFFAOYSA-N -1 0 429.248 2.302 50 0 IEAARM O=C(NC[C@H]1CCN(c2ccccc2)C1)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000095405433 569364419 /nfs/dbraw/zinc/36/44/19/569364419.db2.gz ITMCJARQSDRNBP-QGZVFWFLSA-N -1 0 429.542 2.433 50 0 IEAARM O=C(NCCCOC[C@@H]1CCCO1)c1cc(S(=O)(=O)NCc2ccccc2)ccc1[O-] ZINC000095406693 569364713 /nfs/dbraw/zinc/36/47/13/569364713.db2.gz QYLZIXGYNBAVQD-SFHVURJKSA-N -1 0 448.541 2.186 50 0 IEAARM Cc1nn(CC(F)(F)F)c(C)c1CC(=O)[N-]S(=O)(=O)N1CCCc2ccccc21 ZINC000095450016 569367777 /nfs/dbraw/zinc/36/77/77/569367777.db2.gz AYVBTUQWJBQTCN-UHFFFAOYSA-N -1 0 430.452 2.419 50 0 IEAARM CCN(CCC(=O)[O-])C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000095969828 569377352 /nfs/dbraw/zinc/37/73/52/569377352.db2.gz SZAYQVAQSWFYJR-UHFFFAOYSA-N -1 0 436.452 2.429 50 0 IEAARM COC(=O)C[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)c1c([O-])nc2cc(C)ccn2c1=O ZINC000096113830 569382598 /nfs/dbraw/zinc/38/25/98/569382598.db2.gz QMHQULYFJLYBCO-HNNXBMFYSA-N -1 0 435.436 2.254 50 0 biogenic IEAARM COC(=O)C[C@@H](c1cc2cccc3c2n(c1=O)CCC3)c1c([O-])nc2ccccn2c1=O ZINC000096115324 569383364 /nfs/dbraw/zinc/38/33/64/569383364.db2.gz GXULZDDTABSNLC-INIZCTEOSA-N -1 0 431.448 2.356 50 0 biogenic IEAARM COc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000096361148 569397607 /nfs/dbraw/zinc/39/76/07/569397607.db2.gz MNRIAGMXEWHHRX-UHFFFAOYSA-N -1 0 430.442 2.243 50 0 IEAARM Cc1ccc(C)c(N2CCN(C(=O)c3snc4c3nc([O-])n(C3CC3)c4=O)CC2)c1 ZINC000096396709 569399133 /nfs/dbraw/zinc/39/91/33/569399133.db2.gz MGUMWEQIRUMHLL-UHFFFAOYSA-N -1 0 425.514 2.473 50 0 IEAARM CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C(=O)OC)cc1 ZINC000003326830 569446227 /nfs/dbraw/zinc/44/62/27/569446227.db2.gz SLDAGEPNYIKCSG-UHFFFAOYSA-N -1 0 426.516 2.305 50 0 IEAARM Cc1cc(C)c(S(=O)(=O)NCCCC(=O)[O-])cc1N(C)S(=O)(=O)c1ccccc1 ZINC000008754014 569473820 /nfs/dbraw/zinc/47/38/20/569473820.db2.gz WJHYUMIJGLWIDJ-UHFFFAOYSA-N -1 0 440.543 2.272 50 0 IEAARM CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N[C@H](C)C(=O)[O-] ZINC000008790737 569476128 /nfs/dbraw/zinc/47/61/28/569476128.db2.gz VIABPXCUXYVHTH-MFHIXDMVSA-N -1 0 447.557 2.155 50 0 biogenic IEAARM CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)c2ccccc2n(C)c1=O)C(=O)[O-] ZINC000008791314 569476216 /nfs/dbraw/zinc/47/62/16/569476216.db2.gz HRCMHRFKYHUSDF-XPGWFJOJSA-N -1 0 437.496 2.100 50 0 biogenic IEAARM CCOC(=O)NCC(=O)Nc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000040081968 569486586 /nfs/dbraw/zinc/48/65/86/569486586.db2.gz XRNVNROBTYMLDZ-UHFFFAOYSA-N -1 0 437.474 2.189 50 0 IEAARM CC[C@@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)N1CCn2c3ccccc3nc21)C(=O)[O-] ZINC000009130495 569506074 /nfs/dbraw/zinc/50/60/74/569506074.db2.gz PAKNQKSBEDREPN-KMFMINBZSA-N -1 0 447.561 2.303 50 0 IEAARM O=C1[N-]C(=O)[C@H](N(CCN2C(=O)CSC2=O)c2ccc(Br)cc2)S1 ZINC000009338829 569523683 /nfs/dbraw/zinc/52/36/83/569523683.db2.gz SNBNDNIDZZXGRS-GFCCVEGCSA-N -1 0 430.305 2.260 50 0 IEAARM CC(=O)Nc1nc(SCC(=O)NC2CCCC2)[n-]c(=O)c1NC(=O)c1cccs1 ZINC000009518274 569544041 /nfs/dbraw/zinc/54/40/41/569544041.db2.gz GAWNMEDJNRBCNT-UHFFFAOYSA-N -1 0 435.531 2.193 50 0 IEAARM Nc1nc(SCC(=O)N2CCc3ccccc32)[n-]c(=O)c1NC(=O)c1cccs1 ZINC000009599475 569551280 /nfs/dbraw/zinc/55/12/80/569551280.db2.gz GTNPLFVWJLTTQV-UHFFFAOYSA-N -1 0 427.511 2.347 50 0 IEAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)C1CN(C(=O)c2cccs2)C1 ZINC000070809867 569557875 /nfs/dbraw/zinc/55/78/75/569557875.db2.gz VLRPHOLFNLEPRD-UHFFFAOYSA-N -1 0 443.510 2.050 50 0 IEAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1ccc2c(c1)OCO2 ZINC000009674611 569559174 /nfs/dbraw/zinc/55/91/74/569559174.db2.gz SHSNGYSNCAQDKC-IAGOWNOFSA-N -1 0 427.804 2.001 50 0 IEAARM COc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(Cl)c4)c(=O)c2=3)c1 ZINC000009674934 569559220 /nfs/dbraw/zinc/55/92/20/569559220.db2.gz HWVXWRSNFDDDHB-MSOLQXFVSA-N -1 0 443.847 2.289 50 0 IEAARM COc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(Cl)c4)c(=O)c2=3)c1 ZINC000009675345 569559279 /nfs/dbraw/zinc/55/92/79/569559279.db2.gz MWEISQKPEYZLKQ-IAGOWNOFSA-N -1 0 431.811 2.420 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4Cl)c=3c2=O)cc1OC ZINC000009675542 569559347 /nfs/dbraw/zinc/55/93/47/569559347.db2.gz JKHPCFOQJHXZNX-QZTJIDSGSA-N -1 0 443.847 2.289 50 0 IEAARM CCOC(=O)c1ccc2nc(NC(=O)CSc3nc([O-])c(CC)c(=O)[nH]3)sc2c1 ZINC000009804755 569568655 /nfs/dbraw/zinc/56/86/55/569568655.db2.gz MZVCDPFAHQTOEM-UHFFFAOYSA-N -1 0 434.499 2.183 50 0 IEAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccccn3)cn2C)sc1C(=O)N1CCCC1 ZINC000065137453 569584797 /nfs/dbraw/zinc/58/47/97/569584797.db2.gz XJUKLNRDGHBQNE-UHFFFAOYSA-N -1 0 431.543 2.889 50 0 IEAARM O=S(=O)([N-]c1cnc(N2CCN(c3ccccn3)CC2)nc1)c1cc(F)ccc1F ZINC000077196726 569586081 /nfs/dbraw/zinc/58/60/81/569586081.db2.gz KACPGZDRGXSRDU-UHFFFAOYSA-N -1 0 432.456 2.277 50 0 IEAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2CCOCC2)cc1 ZINC000002288602 132251288 /nfs/dbraw/zinc/25/12/88/132251288.db2.gz VLXNTECVDYCWKU-UHFFFAOYSA-N -1 0 427.486 2.226 50 0 IEAARM CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)c2ccccc2n(C)c1=O)C(=O)[O-] ZINC000012885358 519389553 /nfs/dbraw/zinc/38/95/53/519389553.db2.gz OTKIBBDKIOYGGC-ICSRJNTNSA-N -1 0 437.496 2.100 50 0 biogenic IEAARM CC(C)n1c(=O)c2c(nc1N1CCN(C(=O)CCC(=O)[O-])CC1)sc1c2CCCC1 ZINC000020730634 519919087 /nfs/dbraw/zinc/91/90/87/519919087.db2.gz JHDZFNGUTWAYGV-UHFFFAOYSA-N -1 0 432.546 2.431 50 0 IEAARM CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)[O-] ZINC000012881949 521969290 /nfs/dbraw/zinc/96/92/90/521969290.db2.gz RFUPAELEDGOCAH-YKJDYHJGSA-N -1 0 447.557 2.155 50 0 biogenic IEAARM CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)[O-] ZINC000012881959 521969475 /nfs/dbraw/zinc/96/94/75/521969475.db2.gz RFUPAELEDGOCAH-HHHXYUNESA-N -1 0 447.557 2.155 50 0 biogenic IEAARM CN(C)S(=O)(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000012525792 521988892 /nfs/dbraw/zinc/98/88/92/521988892.db2.gz LIDPMQBVLZFKSB-UHFFFAOYSA-N -1 0 441.350 2.267 50 0 IEAARM COC(=O)c1ccc(NC(=O)CSc2nnc(Cc3ccc(OC)cc3)c(=O)[n-]2)cc1 ZINC000012348273 522095392 /nfs/dbraw/zinc/09/53/92/522095392.db2.gz NRRCEKWMMWXQIK-UHFFFAOYSA-N -1 0 440.481 2.282 50 0 IEAARM CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N2CCC[C@H]2C(=O)[O-])CC1 ZINC000012863245 522377745 /nfs/dbraw/zinc/37/77/45/522377745.db2.gz JZWFWMYSUQZTEL-PVAVHDDUSA-N -1 0 439.553 2.240 50 0 biogenic IEAARM COc1cccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)c1 ZINC000020945418 524159447 /nfs/dbraw/zinc/15/94/47/524159447.db2.gz ISHFXQCHRQHBNY-YJYMSZOUSA-N -1 0 432.498 2.487 50 0 IEAARM COc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccnc2)cc1OC ZINC000008741789 525266942 /nfs/dbraw/zinc/26/69/42/525266942.db2.gz XFIDXAICANIFSG-VKJFTORMSA-N -1 0 425.363 2.203 50 0 IEAARM O=C1[N-]C(=O)[C@]2(Cc3ccccc3N3CCSC[C@H]32)C(=O)N1c1ccc2c(c1)OCO2 ZINC000036056355 527056018 /nfs/dbraw/zinc/05/60/18/527056018.db2.gz VZQGAPHWCYRBPY-PGRDOPGGSA-N -1 0 437.477 2.163 50 0 IEAARM Cn1c2nc3n(cc(-c4ccccc4)n3-c3ccc(F)cc3)c2c(=O)n(CC(=O)[O-])c1=O ZINC000012323901 527125005 /nfs/dbraw/zinc/12/50/05/527125005.db2.gz MHBZPBISOHFRHV-UHFFFAOYSA-N -1 0 433.399 2.029 50 0 IEAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000021351675 527256865 /nfs/dbraw/zinc/25/68/65/527256865.db2.gz AGXVIFAZJDLQHQ-CQSZACIVSA-N -1 0 429.502 2.007 50 0 IEAARM COC(=O)c1cc(OC)c(OC)c(OC)c1[N-]S(=O)(=O)c1cc(OC)ccc1OC ZINC000002150249 555749321 /nfs/dbraw/zinc/74/93/21/555749321.db2.gz SMWBCFJIROQJMF-UHFFFAOYSA-N -1 0 441.458 2.317 50 0 IEAARM CCOc1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccco3)c(=O)[n-]2)cc1 ZINC000002712522 556125973 /nfs/dbraw/zinc/12/59/73/556125973.db2.gz WITVLGHYSFZWMS-UHFFFAOYSA-N -1 0 429.458 2.327 50 0 IEAARM COc1cccc(NC(=O)CSc2nc(N)c(NC(=O)c3cccs3)c(=O)[n-]2)c1 ZINC000002712448 556126017 /nfs/dbraw/zinc/12/60/17/556126017.db2.gz WYVGLTMIAMEJEI-UHFFFAOYSA-N -1 0 431.499 2.405 50 0 IEAARM CCn1cc([N-]S(=O)(=O)c2c(C)nn(C(F)F)c2C)c(C(=O)NCc2ccco2)n1 ZINC000002804724 556143381 /nfs/dbraw/zinc/14/33/81/556143381.db2.gz VPVKQDFDRPBDRZ-UHFFFAOYSA-N -1 0 442.448 2.435 50 0 IEAARM NC(=O)C1CCN(C(=O)CCCCCn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)CC1 ZINC000002974388 556152466 /nfs/dbraw/zinc/15/24/66/556152466.db2.gz VKDRTFSQOGZBAY-UHFFFAOYSA-N -1 0 446.529 2.072 50 0 IEAARM Cc1ccc(S(=O)(=O)NCCCC(=O)[O-])c(C)c1N(C)S(=O)(=O)c1ccccc1 ZINC000008754011 556210714 /nfs/dbraw/zinc/21/07/14/556210714.db2.gz KKMRYRURZJDEMD-UHFFFAOYSA-N -1 0 440.543 2.272 50 0 IEAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000009190871 556252930 /nfs/dbraw/zinc/25/29/30/556252930.db2.gz SFRPWCFNFOGIFW-OAHLLOKOSA-N -1 0 437.481 2.269 50 0 IEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000013692678 556282384 /nfs/dbraw/zinc/28/23/84/556282384.db2.gz XSPQLZPYCKMAFO-IBGZPJMESA-N -1 0 434.489 2.039 50 0 IEAARM COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC000011906683 556373970 /nfs/dbraw/zinc/37/39/70/556373970.db2.gz WTSBBCOITILDDC-UHFFFAOYSA-N -1 0 440.499 2.155 50 0 IEAARM Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nc(CC(=O)[O-])cs1 ZINC000012979915 556423943 /nfs/dbraw/zinc/42/39/43/556423943.db2.gz HXIHLECEBNVOGD-UHFFFAOYSA-N -1 0 429.545 2.060 50 0 IEAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCC(=O)N[C@H]1CCOc2ccccc21 ZINC000013236814 556500748 /nfs/dbraw/zinc/50/07/48/556500748.db2.gz FFKQUONCBPVPGK-OALUTQOASA-N -1 0 436.468 2.103 50 0 IEAARM Cn1c(=O)c2ccsc2nc1SCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000013418135 556505450 /nfs/dbraw/zinc/50/54/50/556505450.db2.gz YWWSVZRWWYRUFQ-HNNXBMFYSA-N -1 0 442.522 2.381 50 0 IEAARM COc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccccc3)c(=O)[n-]2)c1 ZINC000013520220 556512054 /nfs/dbraw/zinc/51/20/54/556512054.db2.gz DBNPHWIBJSUPFU-UHFFFAOYSA-N -1 0 431.495 2.342 50 0 IEAARM CCn1ncc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c1C ZINC000017095065 556658317 /nfs/dbraw/zinc/65/83/17/556658317.db2.gz LROUEXJHKBUSKW-CQSZACIVSA-N -1 0 426.564 2.433 50 0 IEAARM Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1cccc2cccnc21 ZINC000011858320 556663909 /nfs/dbraw/zinc/66/39/09/556663909.db2.gz RCZIIITWCARAEF-UHFFFAOYSA-N -1 0 431.495 2.411 50 0 IEAARM Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H]3C4CCC(CC4)[C@@H]3C(=O)[O-])CC2)c1 ZINC000017099022 556664012 /nfs/dbraw/zinc/66/40/12/556664012.db2.gz YSSHBUWXFBVHDW-WXDAQCLHSA-N -1 0 434.558 2.273 50 0 IEAARM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000059250654 556795960 /nfs/dbraw/zinc/79/59/60/556795960.db2.gz KGMWRYHKZTXCHM-UHFFFAOYSA-N -1 0 436.555 2.209 50 0 IEAARM O=C([C@@H]1COc2ccccc2O1)N1CCc2nc3cc(-c4ccccc4)[n-]n3c(=O)c2C1 ZINC000097088299 556983506 /nfs/dbraw/zinc/98/35/06/556983506.db2.gz FZXASGQGFIORGR-NRFANRHFSA-N -1 0 428.448 2.414 50 0 IEAARM COc1ccc(C(=O)N2CCc3nc4cc(-c5ccccc5)[n-]n4c(=O)c3C2)c(OC)n1 ZINC000097125989 556991501 /nfs/dbraw/zinc/99/15/01/556991501.db2.gz RHLYAIOVNUJOHB-UHFFFAOYSA-N -1 0 431.452 2.300 50 0 IEAARM O=c1c2c(nc3cc(-c4ccccc4Cl)[n-]n31)CN(S(=O)(=O)c1cccnc1)CC2 ZINC000097138675 556991962 /nfs/dbraw/zinc/99/19/62/556991962.db2.gz QSNXHRDQACPERU-UHFFFAOYSA-N -1 0 441.900 2.485 50 0 IEAARM CCCNC(=O)CN1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccc(F)cc2)CC1 ZINC000032946768 557034268 /nfs/dbraw/zinc/03/42/68/557034268.db2.gz VZVOISWGOKXDJF-UHFFFAOYSA-N -1 0 442.491 2.424 50 0 IEAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)N(Cc1noc(C)n1)C(=O)CO2 ZINC000046145568 557044005 /nfs/dbraw/zinc/04/40/05/557044005.db2.gz YAPCMMXFWNTMCJ-UHFFFAOYSA-N -1 0 444.469 2.421 50 0 IEAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CNC(=O)[C@H]3C[C@H]3C)ccc2OC)cc1 ZINC000023189116 557072387 /nfs/dbraw/zinc/07/23/87/557072387.db2.gz QKSOEMGTOMMGMT-DYVFJYSZSA-N -1 0 447.513 2.215 50 0 IEAARM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)c1 ZINC000023219504 557073827 /nfs/dbraw/zinc/07/38/27/557073827.db2.gz CONMAKXYCNAZGV-UHFFFAOYSA-N -1 0 432.454 2.187 50 0 IEAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3c(O)c(C)c(C)[nH]c3=O)cc2)nc(C)n1 ZINC000207011437 557170454 /nfs/dbraw/zinc/17/04/54/557170454.db2.gz SPUTWVHBHRNHJQ-UHFFFAOYSA-N -1 0 443.485 2.157 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(Cl)ccc4OC)c=3c2=O)cc1 ZINC000018054811 557233868 /nfs/dbraw/zinc/23/38/68/557233868.db2.gz HLTLPJSXYXPNGE-QZTJIDSGSA-N -1 0 443.847 2.289 50 0 IEAARM CC(=O)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc1 ZINC000100033157 557238085 /nfs/dbraw/zinc/23/80/85/557238085.db2.gz ZHZTYZGUSURTFU-ROUUACIJSA-N -1 0 425.832 2.475 50 0 IEAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2)Nc1ccc(Br)cc1 ZINC000100033355 557238144 /nfs/dbraw/zinc/23/81/44/557238144.db2.gz FSXUHGWFCJPYNT-HZPDHXFCSA-N -1 0 428.246 2.381 50 0 IEAARM COC(=O)c1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2 ZINC000018203907 557251450 /nfs/dbraw/zinc/25/14/50/557251450.db2.gz SOKOTAMBDGNLTM-DLBZAZTESA-N -1 0 441.831 2.059 50 0 IEAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(OC)c(OC)c4)c=3c2=O)cc1 ZINC000101166045 557258013 /nfs/dbraw/zinc/25/80/13/557258013.db2.gz GJYGAUGKTYFJKR-VQTJNVASSA-N -1 0 437.456 2.198 50 0 IEAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc6c(c5)OCO6)no4)c=3c2=O)cc1 ZINC000101272247 557269014 /nfs/dbraw/zinc/26/90/14/557269014.db2.gz IGPQBGKISNLPQO-ZWKOTPCHSA-N -1 0 432.396 2.267 50 0 IEAARM COc1ccc(Cl)cc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2 ZINC000101388187 557282368 /nfs/dbraw/zinc/28/23/68/557282368.db2.gz VUVKKZUXXQAZDA-DLBZAZTESA-N -1 0 431.811 2.420 50 0 IEAARM CC(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1)C(=O)[O-] ZINC000101409183 557284104 /nfs/dbraw/zinc/28/41/04/557284104.db2.gz CEXBUMZOLVUHHY-CQSZACIVSA-N -1 0 440.547 2.429 50 0 IEAARM CC(=O)N1N=C(c2c([O-])[nH]c(=O)n(-c3ccc(Cl)cc3)c2=O)C[C@H]1c1cccc(O)c1 ZINC000101455686 557286006 /nfs/dbraw/zinc/28/60/06/557286006.db2.gz CSELYWUWVIRPBO-KRWDZBQOSA-N -1 0 440.843 2.288 50 0 IEAARM CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C3CCCCC3)c2[O-])C[C@H]1c1ccc2c(c1)OCO2 ZINC000101455886 557286319 /nfs/dbraw/zinc/28/63/19/557286319.db2.gz ANUKIRZEALZSKO-INIZCTEOSA-N -1 0 440.456 2.174 50 0 IEAARM CCOc1ccccc1[C@H]1CC(c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2[O-])=NN1C(C)=O ZINC000101456866 557287465 /nfs/dbraw/zinc/28/74/65/557287465.db2.gz QEZHPUAWLLERHG-LJQANCHMSA-N -1 0 448.479 2.387 50 0 IEAARM CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2[O-])C[C@H]1c1ccccc1OC ZINC000101765201 557295314 /nfs/dbraw/zinc/29/53/14/557295314.db2.gz ZDTPENAEYSNSSM-SFHVURJKSA-N -1 0 448.479 2.387 50 0 IEAARM CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2[O-])C[C@@H]1c1ccc(OC)cc1 ZINC000101765093 557295360 /nfs/dbraw/zinc/29/53/60/557295360.db2.gz MZQCRFZGYIBNJD-LJQANCHMSA-N -1 0 448.479 2.387 50 0 IEAARM CCCCn1c(=O)[nH]c(=O)c(C2=NN(C(=O)CC)[C@@H](c3cc(OC)ccc3OC)C2)c1[O-] ZINC000101764857 557298366 /nfs/dbraw/zinc/29/83/66/557298366.db2.gz VVTIWNHHDTYUBR-MRXNPFEDSA-N -1 0 444.488 2.147 50 0 IEAARM COC(=O)C[C@@H](c1cc2cccc3c2n(c1=O)CCC3)c1c(=O)nc2ccccn2c1[O-] ZINC000205950916 557389661 /nfs/dbraw/zinc/38/96/61/557389661.db2.gz MACCSCLLUOOBCK-INIZCTEOSA-N -1 0 431.448 2.356 50 0 IEAARM COC(=O)C[C@@H](c1ccc(OCCn2cccn2)cc1)c1c(=O)nc2ccccn2c1[O-] ZINC000205972421 557401555 /nfs/dbraw/zinc/40/15/55/557401555.db2.gz BGOOEMWPHDEDOQ-SFHVURJKSA-N -1 0 434.452 2.371 50 0 IEAARM O=C(CC[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)N1CCN(c2ccccc2)CC1 ZINC000002966780 557523007 /nfs/dbraw/zinc/52/30/07/557523007.db2.gz JTPIHIOQSLMCOY-IBGZPJMESA-N -1 0 433.537 2.483 50 0 IEAARM COc1ccc(OC)c([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2cccnc2)c1 ZINC000106213704 557523253 /nfs/dbraw/zinc/52/32/53/557523253.db2.gz BDPLDTAWXWEASQ-RLFYNMQTSA-N -1 0 425.363 2.203 50 0 IEAARM COC(=O)c1cc(Br)c(S(=O)(=O)[N-]Cc2noc(C(C)(C)C)n2)s1 ZINC000225419336 557721063 /nfs/dbraw/zinc/72/10/63/557721063.db2.gz IFUGKOZNPOEFBI-UHFFFAOYSA-N -1 0 438.325 2.456 50 0 IEAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCC(=O)NCc1ccc3c(c1)OCO3)c2=O ZINC000012415871 557835568 /nfs/dbraw/zinc/83/55/68/557835568.db2.gz ANADHYJBNXHSTF-UHFFFAOYSA-N -1 0 441.465 2.281 50 0 IEAARM COCCn1c(=O)c2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc2[n-]c1=S ZINC000003051754 562932331 /nfs/dbraw/zinc/93/23/31/562932331.db2.gz JOFOBYLZNGALIX-UHFFFAOYSA-N -1 0 443.525 2.321 50 0 IEAARM CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1C(=O)[O-] ZINC000003212112 562932826 /nfs/dbraw/zinc/93/28/26/562932826.db2.gz DDTPPBNCDOFEFP-UHFFFAOYSA-N -1 0 438.889 2.336 50 0 IEAARM O=C([O-])c1cc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)c(Cl)cc1Cl ZINC000003331269 562934311 /nfs/dbraw/zinc/93/43/11/562934311.db2.gz JHVVPLKZUXUEJW-UHFFFAOYSA-N -1 0 433.269 2.431 50 0 IEAARM O=C(OCc1ccccc1)c1[n-][nH]c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000009191663 562968097 /nfs/dbraw/zinc/96/80/97/562968097.db2.gz IXCBXTHFNJSSIN-HUUCEWRRSA-N -1 0 428.242 2.010 50 0 IEAARM CCOC(=O)Cc1nnc(NC(=O)C[C@@H]([N-]C(=O)C(F)(F)F)c2ccccc2)s1 ZINC000003622712 568751569 /nfs/dbraw/zinc/75/15/69/568751569.db2.gz QJCXCEAQKATGOA-LLVKDONJSA-N -1 0 430.408 2.392 50 0 IEAARM COc1ccc(CN(C(=O)C=CC(=O)[O-])[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000001301591 568778995 /nfs/dbraw/zinc/77/89/95/568778995.db2.gz QUBQCBFHFRMCTD-TZZQJPOUSA-N -1 0 438.436 2.005 50 0 IEAARM COc1ccc(NS(=O)(=O)c2cc(OC)c(OC)c(C(=O)[O-])c2)c(Br)n1 ZINC000083937341 568786041 /nfs/dbraw/zinc/78/60/41/568786041.db2.gz DIAUJJWPGQHUBZ-UHFFFAOYSA-N -1 0 447.263 2.369 50 0 IEAARM CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCC(C(=O)N[C@@H](C)C(=O)[O-])CC1 ZINC000012880027 568846432 /nfs/dbraw/zinc/84/64/32/568846432.db2.gz KIDORVQUOANXCJ-UCMFOZJVSA-N -1 0 441.569 2.438 50 0 IEAARM CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCC(C(=O)N[C@@H](C)C(=O)[O-])CC1 ZINC000015958828 568860348 /nfs/dbraw/zinc/86/03/48/568860348.db2.gz KIDORVQUOANXCJ-VAZJSPDQSA-N -1 0 441.569 2.438 50 0 IEAARM CC[C@H](C)[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3c2N=S=N3)C1)C(=O)[O-] ZINC000248264742 568919147 /nfs/dbraw/zinc/91/91/47/568919147.db2.gz NVUYWGPFDXYIHC-SLEUVZQESA-N -1 0 440.547 2.429 50 0 IEAARM CS(=O)(=O)Nc1ccccc1[C@@H]1CC(c2ccccc2O)=NN1C(=O)CCC(=O)[O-] ZINC000252483127 568922977 /nfs/dbraw/zinc/92/29/77/568922977.db2.gz DVQAXTVHARECCI-KRWDZBQOSA-N -1 0 431.470 2.306 50 0 IEAARM CS(=O)(=O)Nc1ccccc1[C@H]1CC(c2ccccc2O)=NN1C(=O)CCC(=O)[O-] ZINC000252483128 568923036 /nfs/dbraw/zinc/92/30/36/568923036.db2.gz DVQAXTVHARECCI-QGZVFWFLSA-N -1 0 431.470 2.306 50 0 IEAARM CCCNC(=O)CN1CCN(c2ccc(NC(=O)c3ccc(F)cc3)c(C(=O)[O-])c2)CC1 ZINC000064589470 568934941 /nfs/dbraw/zinc/93/49/41/568934941.db2.gz AZVRNFKRRUEGEZ-UHFFFAOYSA-N -1 0 442.491 2.424 50 0 IEAARM COCC(=O)Nc1ccc(N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)cc1C(=O)[O-] ZINC000064589866 568935141 /nfs/dbraw/zinc/93/51/41/568935141.db2.gz MMYLHIYHVVXBHR-UHFFFAOYSA-N -1 0 440.500 2.039 50 0 IEAARM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N(CC)CC[NH+](C)C)cc1 ZINC000064843929 568971776 /nfs/dbraw/zinc/97/17/76/568971776.db2.gz LCJZPKSONALVMS-UHFFFAOYSA-N -1 0 436.534 2.367 50 0 IEAARM COc1ccc2c(c1)c([C@@H](C(=O)[O-])[NH+]1CCN(Cc3ccncc3)CC1)cn2CC(=O)[O-] ZINC000036354220 569084118 /nfs/dbraw/zinc/08/41/18/569084118.db2.gz HYBOBAWSGCSYKH-QFIPXVFZSA-N -1 0 438.484 2.073 50 0 IEAARM Cc1nonc1CN1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)C(C)C)cc32)CC1 ZINC000036359477 569085782 /nfs/dbraw/zinc/08/57/82/569085782.db2.gz ZBZQZZKCNQRHSN-HXUWFJFHSA-N -1 0 440.504 2.397 50 0 IEAARM COc1ccc2c(c1)c([C@H](C(=O)[O-])[NH+]1CCN(c3ccccn3)CC1)cn2CCC(=O)[O-] ZINC000036365485 569086776 /nfs/dbraw/zinc/08/67/76/569086776.db2.gz HAAPTAKKKWCNJV-JOCHJYFZSA-N -1 0 438.484 2.468 50 0 IEAARM Cc1cccc(-n2ncc3c2[nH]c(=O)c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)c3[O-])c1 ZINC000065250064 569122019 /nfs/dbraw/zinc/12/20/19/569122019.db2.gz SEDUUKPSAFVGNO-UHFFFAOYSA-N -1 0 438.465 2.384 50 0 IEAARM CS(=O)(=O)c1ccc(NC(=O)c2c([O-])c3cnn(-c4ccc(F)cc4)c3[nH]c2=O)cc1 ZINC000065249965 569122039 /nfs/dbraw/zinc/12/20/39/569122039.db2.gz IUTSKEBVLVUYJY-UHFFFAOYSA-N -1 0 442.428 2.214 50 0 IEAARM CC(C)c1cc(=O)n(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cn1 ZINC000036703852 569134102 /nfs/dbraw/zinc/13/41/02/569134102.db2.gz ZEILHGLBXZITIO-UHFFFAOYSA-N -1 0 433.515 2.263 50 0 IEAARM O=C([O-])CCC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000013579061 569156055 /nfs/dbraw/zinc/15/60/55/569156055.db2.gz NFXQGFZXKQCVHF-UHFFFAOYSA-N -1 0 428.397 2.057 50 0 IEAARM C/C(=C\C(=O)Nc1ccc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1)C(=O)[O-] ZINC000013579142 569156114 /nfs/dbraw/zinc/15/61/14/569156114.db2.gz PJWWVSWRHWXSHO-ZRDIBKRKSA-N -1 0 449.510 2.034 50 0 IEAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000013940297 569157404 /nfs/dbraw/zinc/15/74/04/569157404.db2.gz HQWSFANIJGJSAI-MTGKDYNDSA-N -1 0 448.500 2.497 50 0 IEAARM Cc1cnn(-c2ccc(S(N)(=O)=O)cc2[N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000089702539 569161713 /nfs/dbraw/zinc/16/17/13/569161713.db2.gz ZUJYUFQPWNHCSE-UHFFFAOYSA-N -1 0 426.907 2.282 50 0 IEAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCC(=O)NCC(=O)[O-])occ3C(C)(C)C ZINC000002125071 569184029 /nfs/dbraw/zinc/18/40/29/569184029.db2.gz JRHXWDOIASFYKD-UHFFFAOYSA-N -1 0 442.468 2.395 50 0 biogenic IEAARM Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])ccc12 ZINC000002130071 569184483 /nfs/dbraw/zinc/18/44/83/569184483.db2.gz DJKPMGQAYBHPDA-IBGZPJMESA-N -1 0 436.420 2.479 50 0 biogenic IEAARM CC[C@@H](C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)[O-] ZINC000002160580 569189039 /nfs/dbraw/zinc/18/90/39/569189039.db2.gz XWTBWTYTBHPUJU-FIKIJFGZSA-N -1 0 442.468 2.430 50 0 biogenic IEAARM CC[C@H](C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000252695009 569210972 /nfs/dbraw/zinc/21/09/72/569210972.db2.gz SZPHHKGIDOFWOT-QEOTZNIISA-N -1 0 441.569 2.438 50 0 biogenic IEAARM COc1ccc(/C=C(/NC(=O)c2ccc(Br)o2)C(=O)NCCC(=O)[O-])cc1 ZINC000008926229 569292465 /nfs/dbraw/zinc/29/24/65/569292465.db2.gz GEKGFAHZCGZVCQ-JLHYYAGUSA-N -1 0 437.246 2.413 50 0 IEAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000013032928 569307487 /nfs/dbraw/zinc/30/74/87/569307487.db2.gz MZKAQDDHDIKWAO-SFHVURJKSA-N -1 0 434.514 2.054 50 0 IEAARM CC(C)(C)OC(=O)[C@H]1CC(C(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)=NN1c1ccccc1 ZINC000328591422 569316962 /nfs/dbraw/zinc/31/69/62/569316962.db2.gz NPXGVSCRYPMMHU-QGZVFWFLSA-N -1 0 440.504 2.193 50 0 IEAARM O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2nc3nc(C4CC4)cc(=O)n3[n-]2)CC1 ZINC000390828846 569354033 /nfs/dbraw/zinc/35/40/33/569354033.db2.gz UWBIVOXJAPTGJP-UHFFFAOYSA-N -1 0 432.406 2.276 50 0 IEAARM C[C@](COc1ccccc1)(NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)[O-] ZINC000095424646 569365850 /nfs/dbraw/zinc/36/58/50/569365850.db2.gz JAWCHSOMAUZQDZ-OAQYLSRUSA-N -1 0 432.498 2.123 50 0 IEAARM CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@@H](c2cccc(O)c2)C1 ZINC000095532131 569374609 /nfs/dbraw/zinc/37/46/09/569374609.db2.gz OAXYYJYPJOWRSN-GOSISDBHSA-N -1 0 431.470 2.306 50 0 IEAARM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc3c(c(S(N)(=O)=O)c2)CCC3)cc1 ZINC000095989633 569378194 /nfs/dbraw/zinc/37/81/94/569378194.db2.gz PNVDBYYXEYUTSS-KRWDZBQOSA-N -1 0 434.539 2.490 50 0 IEAARM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)c1ncoc1-c1ccccc1Cl ZINC000096013378 569380145 /nfs/dbraw/zinc/38/01/45/569380145.db2.gz OZZFWHKFVSJELA-UHFFFAOYSA-N -1 0 427.847 2.357 50 0 IEAARM COC(=O)C[C@H](c1cc2cc(OC)ccc2[nH]c1=O)c1c([O-])nc2cc(C)ccn2c1=O ZINC000096113831 569382710 /nfs/dbraw/zinc/38/27/10/569382710.db2.gz QMHQULYFJLYBCO-OAHLLOKOSA-N -1 0 435.436 2.254 50 0 biogenic IEAARM COC(=O)c1ccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000096361150 569397650 /nfs/dbraw/zinc/39/76/50/569397650.db2.gz BSDKCONVSOTGFI-UHFFFAOYSA-N -1 0 430.442 2.258 50 0 IEAARM CCN(CC)c1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)cc1 ZINC000058120636 569447900 /nfs/dbraw/zinc/44/79/00/569447900.db2.gz YTCIDUVHQYZPQX-UHFFFAOYSA-N -1 0 437.543 2.400 50 0 IEAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CCn2c(=O)oc3ccc(Cl)cc32)cc1 ZINC000008843666 569478473 /nfs/dbraw/zinc/47/84/73/569478473.db2.gz JBNLWZYBULDOKZ-UHFFFAOYSA-N -1 0 437.861 2.102 50 0 IEAARM O=C([O-])CN1C(=O)COc2ccc(S(=O)(=O)Nc3ccc(-c4nccs4)cc3)cc21 ZINC000040071337 569485728 /nfs/dbraw/zinc/48/57/28/569485728.db2.gz AJCGBQIANLUGMI-UHFFFAOYSA-N -1 0 445.478 2.421 50 0 IEAARM CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])C(C)C)CC1 ZINC000008918314 569486274 /nfs/dbraw/zinc/48/62/74/569486274.db2.gz HTBVVKNIEQSHHZ-XIRDDKMYSA-N -1 0 441.569 2.390 50 0 biogenic IEAARM COc1cc2c(cc1OC)[C@@H](c1c([O-])[nH]c(=O)n(-c3cccc(Cl)c3)c1=O)NCC2 ZINC000009172633 569509562 /nfs/dbraw/zinc/50/95/62/569509562.db2.gz HVNWKOJCMPRHMS-SFHVURJKSA-N -1 0 429.860 2.137 50 0 biogenic IEAARM CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC000009495211 569541023 /nfs/dbraw/zinc/54/10/23/569541023.db2.gz BTXWQSAPLVOQIK-SFHVURJKSA-N -1 0 449.916 2.497 50 0 IEAARM O=C([O-])CCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000009495777 569541070 /nfs/dbraw/zinc/54/10/70/569541070.db2.gz IVCIIAPGMROSHF-UHFFFAOYSA-N -1 0 442.843 2.350 50 0 IEAARM CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)CSc2nc(=O)[n-]n2C)nc1C ZINC000009514965 569543260 /nfs/dbraw/zinc/54/32/60/569543260.db2.gz FOXJISRNVFJXIP-UHFFFAOYSA-N -1 0 447.542 2.376 50 0 IEAARM CSCC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)C(=O)[O-] ZINC000009537131 569545631 /nfs/dbraw/zinc/54/56/31/569545631.db2.gz LASPGCUIKGITES-AWEZNQCLSA-N -1 0 434.967 2.451 50 0 IEAARM COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000009539436 569545650 /nfs/dbraw/zinc/54/56/50/569545650.db2.gz PQSXEUZOVBNVRI-UHFFFAOYSA-N -1 0 440.543 2.134 50 0 IEAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(-c2ccc(S(C)(=O)=O)nn2)c1 ZINC000009572662 569547785 /nfs/dbraw/zinc/54/77/85/569547785.db2.gz UILNLKHMKVIYIC-UHFFFAOYSA-N -1 0 437.474 2.496 50 0 IEAARM CCc1cc2c(cc1OCC(=O)NCC(=O)[O-])occ(-c1nncn1-c1ccccc1)c2=O ZINC000009616267 569553313 /nfs/dbraw/zinc/55/33/13/569553313.db2.gz LFJQNQJWEFBRLP-UHFFFAOYSA-N -1 0 448.435 2.183 50 0 IEAARM Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc(Br)s1)n(C)c(=O)c(=O)n2C ZINC000009645715 569556111 /nfs/dbraw/zinc/55/61/11/569556111.db2.gz LIQDTCGADJUDOL-UHFFFAOYSA-N -1 0 444.332 2.170 50 0 IEAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)c(OC)c1 ZINC000009674536 569559147 /nfs/dbraw/zinc/55/91/47/569559147.db2.gz XNLBAXWRHRTOHM-MSOLQXFVSA-N -1 0 443.847 2.289 50 0 IEAARM CN(C(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(Br)cc3)c(=O)c1=2)c1ccccc1 ZINC000009674831 569559233 /nfs/dbraw/zinc/55/92/33/569559233.db2.gz KIQVLOIJVLLGHM-SJORKVTESA-N -1 0 442.273 2.405 50 0 IEAARM CN(C(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(Br)cc3)c(=O)c1=2)c1ccccc1 ZINC000009674830 569559246 /nfs/dbraw/zinc/55/92/46/569559246.db2.gz KIQVLOIJVLLGHM-IRXDYDNUSA-N -1 0 442.273 2.405 50 0 IEAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(Cl)c4)c(=O)c2=3)cc1 ZINC000009674939 569559248 /nfs/dbraw/zinc/55/92/48/569559248.db2.gz WWHDPDCERDVUFW-QZTJIDSGSA-N -1 0 443.847 2.289 50 0 IEAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)c(OC)c1 ZINC000009675301 569559295 /nfs/dbraw/zinc/55/92/95/569559295.db2.gz BPLAUWVTULFLGY-VQTJNVASSA-N -1 0 437.456 2.253 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)c(F)c4)c=3c2=O)cc1OC ZINC000009675597 569559321 /nfs/dbraw/zinc/55/93/21/569559321.db2.gz KHNYNZVOVSLORG-MOPGFXCFSA-N -1 0 441.419 2.083 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)c(C)c4)c=3c2=O)cc1OC ZINC000009675642 569559332 /nfs/dbraw/zinc/55/93/32/569559332.db2.gz MZQVZGABVXUJDT-WOJBJXKFSA-N -1 0 437.456 2.253 50 0 IEAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)NCc3ccncc3)cs2)cc1 ZINC000009820511 569569396 /nfs/dbraw/zinc/56/93/96/569569396.db2.gz HQZNLUOMPYXQIB-UHFFFAOYSA-N -1 0 445.526 2.156 50 0 IEAARM CC(C)c1sc(NC(=O)CCC(=O)Nc2ccc(Cn3cncn3)cc2)nc1C(=O)[O-] ZINC000095476776 569583524 /nfs/dbraw/zinc/58/35/24/569583524.db2.gz KUNBNUKVIMNGIR-UHFFFAOYSA-N -1 0 442.501 2.962 50 0 IEAARM COC(=O)c1cc(S(=O)(=O)[N-]c2ncc(C)s2)ccc1I ZINC000095466394 569583578 /nfs/dbraw/zinc/58/35/78/569583578.db2.gz GKIUUSXQDPAHFA-UHFFFAOYSA-N -1 0 438.268 2.644 50 0 IEAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1nnn(-c2ccc(F)cc2)n1 ZINC000077100332 569585388 /nfs/dbraw/zinc/58/53/88/569585388.db2.gz HHRXMSIGDMNHQL-UHFFFAOYSA-N -1 0 445.461 2.311 50 0 IEAARM CCOc1ccc(S(=O)(=O)[N-]c2cc(N3CCN(c4ccccc4)CC3)ncn2)cc1 ZINC000077100901 569585495 /nfs/dbraw/zinc/58/54/95/569585495.db2.gz LHYPNPSPZSOXSV-UHFFFAOYSA-N -1 0 439.541 3.003 50 0 IEAARM CS(=O)(=O)c1ccc(-c2nnc(CCC(=O)N3CCc4ccccc4C3)c(=O)[n-]2)cc1 ZINC000034768685 569587633 /nfs/dbraw/zinc/58/76/33/569587633.db2.gz XXVOYTAAKUFVRC-UHFFFAOYSA-N -1 0 438.509 2.165 50 0 IEAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)N1CC(=O)Nc2ccccc21 ZINC000009059082 132226558 /nfs/dbraw/zinc/22/65/58/132226558.db2.gz VXFKEANCXNFNSU-HKUYNNGSSA-N -1 0 436.468 2.491 50 0 biogenic IEAARM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(C(=O)[C@H]4CCCO4)CC3)c(F)cc2c1=O ZINC000009723120 132239790 /nfs/dbraw/zinc/23/97/90/132239790.db2.gz XIXNQOUMXGSPQG-LJQANCHMSA-N -1 0 429.448 2.001 50 0 IEAARM O=C([O-])[C@H]1C2C[C@H]3C[C@@H](C2)CC1(n1ncc(N2CCC4(CC2)OCCO4)c(Cl)c1=O)C3 ZINC000009234679 132310296 /nfs/dbraw/zinc/31/02/96/132310296.db2.gz HYXRIRSXTMQTLI-PUPWIPAESA-N -1 0 449.935 2.476 50 0 IEAARM COc1cc([C@@H]2C/C(=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)NN2)ccc1O ZINC000009317415 132313616 /nfs/dbraw/zinc/31/36/16/132313616.db2.gz POZDTHRPFONZSE-FSLWVPIDSA-N -1 0 428.832 2.130 50 0 IEAARM CC[C@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000012879320 521956643 /nfs/dbraw/zinc/95/66/43/521956643.db2.gz ZSXAUMNXPAXHRB-XIRDDKMYSA-N -1 0 439.553 2.240 50 0 biogenic IEAARM COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)[O-])c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000020612030 522993877 /nfs/dbraw/zinc/99/38/77/522993877.db2.gz VKVVDPPQTRCHHN-INIZCTEOSA-N -1 0 442.468 2.360 50 0 biogenic IEAARM COc1ccc(CNC(=O)CN2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)[O-])cc1 ZINC000021642936 524051227 /nfs/dbraw/zinc/05/12/27/524051227.db2.gz VEHMDJDHOBPKTO-LJQANCHMSA-N -1 0 428.485 2.403 50 0 IEAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc[nH]c3=O)ccc2OC)cc1 ZINC000021870476 524688383 /nfs/dbraw/zinc/68/83/83/524688383.db2.gz IVIOWCVEQOYLOT-UHFFFAOYSA-N -1 0 429.454 2.445 50 0 IEAARM COc1ccc(S(=O)(=O)Nc2cnc(N3CCOCC3)c(C(=O)[O-])c2)cc1Cl ZINC000035397699 525089300 /nfs/dbraw/zinc/08/93/00/525089300.db2.gz XCLRALOWTTXAQW-UHFFFAOYSA-N -1 0 427.866 2.079 50 0 IEAARM COc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCN(C(C)=O)CC2)c(OC)c1 ZINC000022627502 525380632 /nfs/dbraw/zinc/38/06/32/525380632.db2.gz DPNNEZITZTWOGD-QGZVFWFLSA-N -1 0 431.518 2.076 50 0 IEAARM CSCC[C@@H](NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccco1)C(=O)[O-] ZINC000022170834 525548548 /nfs/dbraw/zinc/54/85/48/525548548.db2.gz IASAJVBNAROAHJ-OZYJXZHSSA-N -1 0 432.454 2.102 50 0 IEAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)cc2)n1 ZINC000021350397 525698260 /nfs/dbraw/zinc/69/82/60/525698260.db2.gz VDQDGUPBXXONAU-CQSZACIVSA-N -1 0 431.518 2.171 50 0 IEAARM Cc1csc(CNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)n1 ZINC000021022196 526354820 /nfs/dbraw/zinc/35/48/20/526354820.db2.gz OVFKVOQVOTXDPA-UHFFFAOYSA-N -1 0 443.510 2.352 50 0 IEAARM COc1ccc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)nn1 ZINC000000783178 555555569 /nfs/dbraw/zinc/55/55/69/555555569.db2.gz XINSNQGHOFQXCB-UHFFFAOYSA-N -1 0 434.499 2.395 50 0 IEAARM COc1ccc2c(c1OC)C(=O)O[C@H]2c1c([O-])[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O ZINC000002269674 555764109 /nfs/dbraw/zinc/76/41/09/555764109.db2.gz QDWRUVDTRCBFHT-OAHLLOKOSA-N -1 0 430.800 2.162 50 0 IEAARM Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3cccc(C(=O)[O-])c3)n2C)c1 ZINC000002837772 555833788 /nfs/dbraw/zinc/83/37/88/555833788.db2.gz DIOBEPZBTPGWME-UHFFFAOYSA-N -1 0 439.497 2.483 50 0 IEAARM CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000009261185 556269024 /nfs/dbraw/zinc/26/90/24/556269024.db2.gz NGKJGZQVZCXKCD-WUXMJOGZSA-N -1 0 429.834 2.411 50 0 IEAARM COc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc(I)c1O ZINC000009323694 556281776 /nfs/dbraw/zinc/28/17/76/556281776.db2.gz LKRSMVMDOOMXCM-RUDMXATFSA-N -1 0 435.195 2.126 50 0 IEAARM NC(=O)C1CCN(C(=O)c2ccc3nc([N-]S(=O)(=O)c4ccccc4)sc3c2)CC1 ZINC000013736597 556297797 /nfs/dbraw/zinc/29/77/97/556297797.db2.gz DMFCCQDCEWDIKA-UHFFFAOYSA-N -1 0 444.538 2.435 50 0 IEAARM Cc1nc(C(=O)[N-]N2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)nn1-c1ccc(F)cc1 ZINC000032820677 556412405 /nfs/dbraw/zinc/41/24/05/556412405.db2.gz FHPROLIPWLXTEP-QFIPXVFZSA-N -1 0 436.447 2.303 50 0 IEAARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000072274868 556454626 /nfs/dbraw/zinc/45/46/26/556454626.db2.gz ULYXXSDXTQCMFJ-UHFFFAOYSA-N -1 0 438.307 2.308 50 0 IEAARM CCOc1ccc([C@H]2C/C(=C3\C(=O)[N-]C(=O)N(Cc4ccccc4)C3=O)NN2C(C)=O)cc1 ZINC000013591046 556529314 /nfs/dbraw/zinc/52/93/14/556529314.db2.gz ADEFCNBGNLFWRA-GOBJLOIFSA-N -1 0 448.479 2.416 50 0 IEAARM CC[C@H](C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1)C(=O)[O-] ZINC000013625921 556537074 /nfs/dbraw/zinc/53/70/74/556537074.db2.gz QWAQVSQFHMTKIR-NHYWBVRUSA-N -1 0 440.547 2.429 50 0 IEAARM COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccco3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011795962 556657128 /nfs/dbraw/zinc/65/71/28/556657128.db2.gz ASPCNHUNTFUJRJ-CYBMUJFWSA-N -1 0 437.499 2.312 50 0 IEAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1OC ZINC000011858372 556663914 /nfs/dbraw/zinc/66/39/14/556663914.db2.gz BWFZPXSUEJGJIU-UHFFFAOYSA-N -1 0 438.527 2.433 50 0 IEAARM Cn1c2ccc(/C=C3\C(=O)[N-]N(c4cccc(Br)c4)C3=O)cc2n(C)c1=O ZINC000000623479 556679907 /nfs/dbraw/zinc/67/99/07/556679907.db2.gz UWLYKGOXCGRZBC-RIYZIHGNSA-N -1 0 427.258 2.101 50 0 IEAARM CCCCN1C(=O)[N-]C(=O)C(=C(CC)N[C@H](Cc2c[nH]c3ccccc23)C(=O)OC)C1=O ZINC000020290465 557005731 /nfs/dbraw/zinc/00/57/31/557005731.db2.gz ZQSHGNJOSNPOIL-CQGUWYRNSA-N -1 0 440.500 2.384 50 0 IEAARM C[C@H](OC(=O)c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000010732769 557022046 /nfs/dbraw/zinc/02/20/46/557022046.db2.gz QTPMAXBMCNYTPC-AWEZNQCLSA-N -1 0 426.454 2.461 50 0 IEAARM O=C([O-])c1ccn(-c2ccc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)n1 ZINC000048355563 557074057 /nfs/dbraw/zinc/07/40/57/557074057.db2.gz HHFFXSLHMDPJPN-UHFFFAOYSA-N -1 0 426.454 2.498 50 0 IEAARM CC(Nc1c(C)n(C)n(-c2ccccc2)c1=O)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000101037315 557215231 /nfs/dbraw/zinc/21/52/31/557215231.db2.gz WTKCUONKTJEZDR-XDJHFCHBSA-N -1 0 445.479 2.449 50 0 IEAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(OC)cc4OC)c=3c2=O)cc1 ZINC000018067759 557235001 /nfs/dbraw/zinc/23/50/01/557235001.db2.gz VCQJUXDAKRZTIZ-VQTJNVASSA-N -1 0 437.456 2.198 50 0 IEAARM CC(=O)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc1 ZINC000100033161 557238131 /nfs/dbraw/zinc/23/81/31/557238131.db2.gz ZHZTYZGUSURTFU-QZTJIDSGSA-N -1 0 425.832 2.475 50 0 IEAARM CCOC(=O)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccccc4C)c(=O)c2=3)cc1 ZINC000018162340 557244807 /nfs/dbraw/zinc/24/48/07/557244807.db2.gz SPWQDCZRSZDCJA-RTBURBONSA-N -1 0 435.440 2.104 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(OC)c(Cl)c4)c=3c2=O)cc1 ZINC000101166001 557257796 /nfs/dbraw/zinc/25/77/96/557257796.db2.gz JEAMLODEPAPNNB-ROUUACIJSA-N -1 0 443.847 2.289 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(SC)c4)c=3c2=O)cc1 ZINC000101166123 557257962 /nfs/dbraw/zinc/25/79/62/557257962.db2.gz CFJXHEAUNJCDTB-ROUUACIJSA-N -1 0 425.470 2.349 50 0 IEAARM CCOc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(OCC)cc4)c(=O)c2=3)cc1 ZINC000101166215 557257971 /nfs/dbraw/zinc/25/79/71/557257971.db2.gz QYEGCUUQMCNPED-VQTJNVASSA-N -1 0 437.456 2.416 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)c(C)c4)c=3c2=O)cc1OC ZINC000101169893 557259707 /nfs/dbraw/zinc/25/97/07/557259707.db2.gz MZQVZGABVXUJDT-UXHICEINSA-N -1 0 437.456 2.253 50 0 IEAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Br)cc3)c(=O)c1=2)Nc1ccccc1 ZINC000101174239 557260648 /nfs/dbraw/zinc/26/06/48/557260648.db2.gz XZDGVDMXIMBFSD-JKSUJKDBSA-N -1 0 428.246 2.381 50 0 IEAARM COc1cc(OC)cc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5)no4)c=3c2=O)c1 ZINC000101311493 557271848 /nfs/dbraw/zinc/27/18/48/557271848.db2.gz BLSIYFGHEHLTRV-MSOLQXFVSA-N -1 0 434.412 2.247 50 0 IEAARM CCOC(=O)c1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3cc(C)cc(C)c3)c(=O)c1=2 ZINC000101352886 557274942 /nfs/dbraw/zinc/27/49/42/557274942.db2.gz XLOVKIKKBWMGFL-VQTJNVASSA-N -1 0 449.467 2.412 50 0 IEAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)c(OC)c1 ZINC000101387266 557282178 /nfs/dbraw/zinc/28/21/78/557282178.db2.gz XNLBAXWRHRTOHM-ROUUACIJSA-N -1 0 443.847 2.289 50 0 IEAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)c(OC)c1 ZINC000101389483 557282691 /nfs/dbraw/zinc/28/26/91/557282691.db2.gz BPLAUWVTULFLGY-PMACEKPBSA-N -1 0 437.456 2.253 50 0 IEAARM COc1ccc(CN(C(=O)C=CC(=O)[O-])[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000101412467 557284367 /nfs/dbraw/zinc/28/43/67/557284367.db2.gz UBQVOOMFHXNJRI-LENZSSGSSA-N -1 0 426.400 2.136 50 0 IEAARM COc1ccccc1-n1c(=O)[nH]c([O-])c(C2=NN(C(C)=O)[C@H](c3sccc3C)C2)c1=O ZINC000101455604 557286001 /nfs/dbraw/zinc/28/60/01/557286001.db2.gz MHJXHPKHIPJQRM-HNNXBMFYSA-N -1 0 440.481 2.308 50 0 IEAARM COc1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(-c4ccccc4C)c3=O)=NN2C(C)=O)cc1 ZINC000101456261 557286706 /nfs/dbraw/zinc/28/67/06/557286706.db2.gz FSCSFOJQCNXKRQ-LJQANCHMSA-N -1 0 434.452 2.246 50 0 IEAARM CC(=O)N1N=C(c2c([O-])[nH]c(=O)n(-c3cccc(Cl)c3)c2=O)C[C@@H]1c1ccc(O)cc1 ZINC000101456127 557286844 /nfs/dbraw/zinc/28/68/44/557286844.db2.gz VIMKQPFYWGCRBV-QGZVFWFLSA-N -1 0 440.843 2.288 50 0 IEAARM CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2[O-])C[C@H]1c1ccc(OC)cc1 ZINC000101765090 557295235 /nfs/dbraw/zinc/29/52/35/557295235.db2.gz MZQCRFZGYIBNJD-IBGZPJMESA-N -1 0 448.479 2.387 50 0 IEAARM COc1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(-c4ccc(Cl)cc4)c3=O)=NN2)c(OC)c1 ZINC000101762669 557297537 /nfs/dbraw/zinc/29/75/37/557297537.db2.gz GQXACZJAGKLKGM-OAHLLOKOSA-N -1 0 442.859 2.341 50 0 IEAARM COc1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(-c4ccc(Cl)cc4)c3=O)=NN2)cc1OC ZINC000101762627 557297544 /nfs/dbraw/zinc/29/75/44/557297544.db2.gz ZKFXZFPGJITGBE-CQSZACIVSA-N -1 0 442.859 2.341 50 0 IEAARM COc1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(-c4cccc(Cl)c4)c3=O)=NN2)cc1O ZINC000101763181 557297980 /nfs/dbraw/zinc/29/79/80/557297980.db2.gz QUPQDKINULSPFE-CYBMUJFWSA-N -1 0 428.832 2.038 50 0 IEAARM CCCCn1c(=O)[nH]c(=O)c(C2=NN(C(=O)CC)[C@H](c3cc(OC)ccc3OC)C2)c1[O-] ZINC000101764852 557298215 /nfs/dbraw/zinc/29/82/15/557298215.db2.gz VVTIWNHHDTYUBR-INIZCTEOSA-N -1 0 444.488 2.147 50 0 IEAARM O=c1c2[n-][nH]n(Cc3nc(-c4ccc5c(c4)OCO5)no3)c=2c(=O)n1-c1cccc(F)c1 ZINC000101893653 557306455 /nfs/dbraw/zinc/30/64/55/557306455.db2.gz ONFKLWCCCNVMKY-SJORKVTESA-N -1 0 436.359 2.098 50 0 IEAARM COc1ccc(N2C(=O)[N-]C(=O)C(=C(NCCc3c[nH]cn3)c3ccccc3)C2=O)cc1 ZINC000025180472 557529092 /nfs/dbraw/zinc/52/90/92/557529092.db2.gz CBQCFKLESMUZFS-FMQUCBEESA-N -1 0 431.452 2.245 50 0 IEAARM CC(C)(C)OC(=O)N1CCN(c2nc([N-]S(=O)(=O)c3cccs3)ns2)CC1 ZINC000225398126 557718360 /nfs/dbraw/zinc/71/83/60/557718360.db2.gz OGTUNBCOAMUWDC-UHFFFAOYSA-N -1 0 431.565 2.458 50 0 IEAARM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)[C@H]2COc3ccc(Br)cc32)c1 ZINC000225572766 557745049 /nfs/dbraw/zinc/74/50/49/557745049.db2.gz OSULINYLJUVJLQ-ZDUSSCGKSA-N -1 0 428.308 2.283 50 0 IEAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](C)c2nncn2C)ccc1C ZINC000225579155 557746043 /nfs/dbraw/zinc/74/60/43/557746043.db2.gz RRXKVOUNZURDRW-HNNXBMFYSA-N -1 0 443.529 2.466 50 0 IEAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC(=O)N1CCN(c3ccccc3)CC1)c2=O ZINC000012415781 557835559 /nfs/dbraw/zinc/83/55/59/557835559.db2.gz SGSGAXMEXKNMJS-UHFFFAOYSA-N -1 0 438.509 2.194 50 0 IEAARM COc1ccc(OC)c2c1cc(C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C)n2C ZINC000008790317 562964213 /nfs/dbraw/zinc/96/42/13/562964213.db2.gz PVEHSUFJPRIBJW-KSSFIOAISA-N -1 0 431.489 2.026 50 0 biogenic IEAARM C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccccn4)o3)cc2)C[C@H](C)O1 ZINC000009428020 562970471 /nfs/dbraw/zinc/97/04/71/562970471.db2.gz QTFMUTWTGGVABQ-KBPBESRZSA-N -1 0 443.485 2.182 50 0 IEAARM COc1cccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2cccnc2)c1OC ZINC000011859304 562979659 /nfs/dbraw/zinc/97/96/59/562979659.db2.gz NJLHMMFSBDAMBF-SUNYJGFJSA-N -1 0 425.363 2.203 50 0 IEAARM COc1ccccc1[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)C[C@@H](C)O2 ZINC000015936551 563018889 /nfs/dbraw/zinc/01/88/89/563018889.db2.gz HEUMFVYCKHUVQH-DYVFJYSZSA-N -1 0 448.497 2.323 50 0 IEAARM CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCC(C(=O)N[C@H](C)C(=O)[O-])CC1 ZINC000012880807 568853726 /nfs/dbraw/zinc/85/37/26/568853726.db2.gz KIDORVQUOANXCJ-RRLIJXGGSA-N -1 0 441.569 2.438 50 0 IEAARM Cc1coc2c1cc1c(C)c(CC(=O)N[C@@H](C)C(=O)NCCCC(=O)[O-])c(=O)oc1c2C ZINC000016025509 568864162 /nfs/dbraw/zinc/86/41/62/568864162.db2.gz AVWHAXHQKMLLCM-AWEZNQCLSA-N -1 0 442.468 2.493 50 0 IEAARM Cc1ccc(Nc2nc(N)nc(COC(=O)c3ccccc3[N-]S(C)(=O)=O)n2)cc1 ZINC000016046910 568868778 /nfs/dbraw/zinc/86/87/78/568868778.db2.gz FWIBDWFYWJIFLZ-UHFFFAOYSA-N -1 0 428.474 2.234 50 0 IEAARM O=C(c1ccc2n[nH]nc2c1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000016496034 568919329 /nfs/dbraw/zinc/91/93/29/568919329.db2.gz SOINFSNVNWCCNF-UHFFFAOYSA-N -1 0 440.312 2.411 50 0 IEAARM CCn1cc(C)c(C(=O)[O-])c1CC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000064983726 569081856 /nfs/dbraw/zinc/08/18/56/569081856.db2.gz NOKXNXUTLHWYOP-UHFFFAOYSA-N -1 0 426.561 2.381 50 0 IEAARM COc1ccc2c(c1)c([C@H](C(=O)[O-])[NH+]1CCN(Cc3cccnc3)CC1)cn2CC(=O)[O-] ZINC000036357910 569084869 /nfs/dbraw/zinc/08/48/69/569084869.db2.gz HCBWUYKZLVFRCR-JOCHJYFZSA-N -1 0 438.484 2.073 50 0 IEAARM O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(c3ncccn3)CC2)c2ccc(Cl)cc21 ZINC000036359196 569085670 /nfs/dbraw/zinc/08/56/70/569085670.db2.gz CETYXCFEHYSFQF-SFHVURJKSA-N -1 0 429.864 2.117 50 0 IEAARM Cc1nonc1CN1CCN([C@@H](C(=O)[O-])c2c[nH]c3cc(NC(=O)C(C)C)ccc32)CC1 ZINC000036359514 569085807 /nfs/dbraw/zinc/08/58/07/569085807.db2.gz LKVPZALEXLJUJF-HXUWFJFHSA-N -1 0 440.504 2.397 50 0 IEAARM Cc1coc2cc3oc(=O)c(CC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)c(C)c3cc12 ZINC000002103021 569179879 /nfs/dbraw/zinc/17/98/79/569179879.db2.gz GVZIDNRFXYCKGT-FQEVSTJZSA-N -1 0 428.441 2.040 50 0 biogenic IEAARM Cc1coc2cc3oc(=O)c(CCC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)c(C)c3cc12 ZINC000002128620 569184177 /nfs/dbraw/zinc/18/41/77/569184177.db2.gz QHDQQLNDZGQXNY-NRFANRHFSA-N -1 0 442.468 2.430 50 0 biogenic IEAARM CC(C)C[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000252694438 569210858 /nfs/dbraw/zinc/21/08/58/569210858.db2.gz KPZYKZKTIXZRHP-QBPKDAKJSA-N -1 0 441.569 2.438 50 0 biogenic IEAARM CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C)C(=O)[O-])CC1 ZINC000252694369 569210862 /nfs/dbraw/zinc/21/08/62/569210862.db2.gz JUZONQPLLGKSSF-KLHDSHLOSA-N -1 0 427.542 2.048 50 0 biogenic IEAARM CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C)C(=O)[O-])CC1 ZINC000252694421 569210885 /nfs/dbraw/zinc/21/08/85/569210885.db2.gz KIDORVQUOANXCJ-WOYTXXSLSA-N -1 0 441.569 2.438 50 0 biogenic IEAARM CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C)C(=O)[O-])CC1 ZINC000252694419 569210892 /nfs/dbraw/zinc/21/08/92/569210892.db2.gz KIDORVQUOANXCJ-JJTUDDRGSA-N -1 0 441.569 2.438 50 0 biogenic IEAARM CC(C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000252695409 569211125 /nfs/dbraw/zinc/21/11/25/569211125.db2.gz ZOEKMFSWKCMZIG-VGWMRTNUSA-N -1 0 427.542 2.048 50 0 biogenic IEAARM CC(C)[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000252695408 569211162 /nfs/dbraw/zinc/21/11/62/569211162.db2.gz ZOEKMFSWKCMZIG-KLHDSHLOSA-N -1 0 427.542 2.048 50 0 biogenic IEAARM CC(C)(C)OC(=O)[C@@H]1CC(C(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)=NN1c1ccccc1 ZINC000328591421 569316943 /nfs/dbraw/zinc/31/69/43/569316943.db2.gz NPXGVSCRYPMMHU-KRWDZBQOSA-N -1 0 440.504 2.193 50 0 IEAARM Cc1nn(C)c2[n-]c(C(=O)Nc3cccc(S(=O)(=O)N4CCCCCC4)c3)cc(=O)c12 ZINC000078964322 569320623 /nfs/dbraw/zinc/32/06/23/569320623.db2.gz HBZKFQQTKQYEAV-UHFFFAOYSA-N -1 0 443.529 2.387 50 0 IEAARM O=C([O-])c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)o1 ZINC000095389883 569363422 /nfs/dbraw/zinc/36/34/22/569363422.db2.gz ACVIMKAVLRDFGX-UHFFFAOYSA-N -1 0 448.375 2.023 50 0 IEAARM CNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(OC(F)(F)F)cc2)c1 ZINC000095389907 569363451 /nfs/dbraw/zinc/36/34/51/569363451.db2.gz HOWUOKWQRYRKIH-HNNXBMFYSA-N -1 0 446.403 2.439 50 0 IEAARM O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000095405434 569364431 /nfs/dbraw/zinc/36/44/31/569364431.db2.gz ITMCJARQSDRNBP-KRWDZBQOSA-N -1 0 429.542 2.433 50 0 IEAARM O=C(CSc1ncnc2[nH]cnc21)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000095481729 569374034 /nfs/dbraw/zinc/37/40/34/569374034.db2.gz DGWVZRYSDBBUQJ-UHFFFAOYSA-N -1 0 447.527 2.341 50 0 IEAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(OC)cc4OC)c=3c2=O)cc1 ZINC000095481455 569374054 /nfs/dbraw/zinc/37/40/54/569374054.db2.gz VCQJUXDAKRZTIZ-PMACEKPBSA-N -1 0 437.456 2.198 50 0 IEAARM COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1c([O-])nc2ccc(C)cn2c1=O ZINC000096114604 569382918 /nfs/dbraw/zinc/38/29/18/569382918.db2.gz AMVYZXKXKLLWBO-AWEZNQCLSA-N -1 0 428.441 2.429 50 0 biogenic IEAARM COC(=O)C[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)c1c([O-])nc2ccc(C)cn2c1=O ZINC000096115705 569383263 /nfs/dbraw/zinc/38/32/63/569383263.db2.gz CKSGDAYYIXCDKK-HNNXBMFYSA-N -1 0 435.436 2.254 50 0 biogenic IEAARM COC(=O)C[C@H](c1ccc(OCCn2cccn2)cc1)c1c([O-])nc2ccccn2c1=O ZINC000096117793 569384218 /nfs/dbraw/zinc/38/42/18/569384218.db2.gz WWTKTRZVAJIHCU-GOSISDBHSA-N -1 0 434.452 2.371 50 0 IEAARM COc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc(OC)c(OC)c2)cc1 ZINC000096361144 569397578 /nfs/dbraw/zinc/39/75/78/569397578.db2.gz NOHPEUHPKWHBSX-UHFFFAOYSA-N -1 0 432.458 2.489 50 0 IEAARM COc1ccc(-c2cc3nc4c(c(=O)n3[n-]2)CN(S(=O)(=O)c2ccccc2)CC4)cc1 ZINC000097161548 569403291 /nfs/dbraw/zinc/40/32/91/569403291.db2.gz WKLCLJWMNSMRNN-UHFFFAOYSA-N -1 0 436.493 2.445 50 0 IEAARM O=C([O-])CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C1=O)[C@@H]1[C@@H]3SC2=NC(=O)SC2[C@@H]1c1ccco1 ZINC000226931234 569430177 /nfs/dbraw/zinc/43/01/77/569430177.db2.gz IOYLOAKNPVOCST-WXMQAKSMSA-N -1 0 446.506 2.390 50 0 IEAARM CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)[O-] ZINC000008790369 569476072 /nfs/dbraw/zinc/47/60/72/569476072.db2.gz FIRAKOBZCZTWHB-NZNSQFJMSA-N -1 0 447.557 2.155 50 0 biogenic IEAARM CSCC[C@@H](NC(=O)CCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)C(=O)[O-] ZINC000008876193 569481104 /nfs/dbraw/zinc/48/11/04/569481104.db2.gz WNACZQYSHMQHPZ-MSOLQXFVSA-N -1 0 447.557 2.258 50 0 biogenic IEAARM CC(C)[C@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000008876875 569481124 /nfs/dbraw/zinc/48/11/24/569481124.db2.gz MKGAFIGIUOMEDF-SQNIBIBYSA-N -1 0 430.505 2.280 50 0 biogenic IEAARM CC(C)C[C@H](NC(=O)C1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1)C(=O)[O-] ZINC000008918465 569486302 /nfs/dbraw/zinc/48/63/02/569486302.db2.gz HUIMUGVASZIPBT-IRXDYDNUSA-N -1 0 441.569 2.390 50 0 biogenic IEAARM CSCC[C@H](NC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccco1)C(=O)[O-] ZINC000009058328 569499273 /nfs/dbraw/zinc/49/92/73/569499273.db2.gz IASAJVBNAROAHJ-GFAPJHNFSA-N -1 0 432.454 2.102 50 0 IEAARM O=C(NC[C@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000009203511 569511264 /nfs/dbraw/zinc/51/12/64/569511264.db2.gz OKYQKJFTIGJDBE-OAHLLOKOSA-N -1 0 429.498 2.281 50 0 IEAARM O=S(=O)([N-]c1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1ccc2ccccc2c1 ZINC000009441552 569535366 /nfs/dbraw/zinc/53/53/66/569535366.db2.gz OEIMGGLVZIQCAA-UHFFFAOYSA-N -1 0 448.522 2.367 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)c(F)c4)c=3c2=O)cc1OC ZINC000009675595 569559334 /nfs/dbraw/zinc/55/93/34/569559334.db2.gz KHNYNZVOVSLORG-OALUTQOASA-N -1 0 441.419 2.083 50 0 IEAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c(OC)c1 ZINC000009835825 569570701 /nfs/dbraw/zinc/57/07/01/569570701.db2.gz DWWRNJUUMBJLQP-MSOLQXFVSA-N -1 0 443.847 2.289 50 0 IEAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c(OC)c1 ZINC000009835824 569570709 /nfs/dbraw/zinc/57/07/09/569570709.db2.gz DWWRNJUUMBJLQP-ZWKOTPCHSA-N -1 0 443.847 2.289 50 0 IEAARM CCOc1cccc(-c2nc3c([nH]c(=O)n3-c3ccccc3OCC)c(C(N)=O)n2)c1[O-] ZINC000010188009 569578739 /nfs/dbraw/zinc/57/87/39/569578739.db2.gz HLHBKGOOQCTASA-UHFFFAOYSA-N -1 0 435.440 2.378 50 0 IEAARM CCOc1ccc(S(=O)(=O)[N-]c2cnc(N3CCN(c4ccccn4)CC3)nc2)cc1 ZINC000077196716 569586085 /nfs/dbraw/zinc/58/60/85/569586085.db2.gz KZHGVHXHHFLFJM-UHFFFAOYSA-N -1 0 440.529 2.398 50 0 IEAARM O=C(CSC1=Nc2ccc(F)cc2S(=O)(=O)[N-]1)N1CCN(c2ccccc2)CC1 ZINC000009708783 132237077 /nfs/dbraw/zinc/23/70/77/132237077.db2.gz JWYUKHKDLQDYOT-UHFFFAOYSA-N -1 0 434.518 2.378 50 0 IEAARM CCCCc1ccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(CC(=O)[O-])c4=O)cc1 ZINC000004370779 132271661 /nfs/dbraw/zinc/27/16/61/132271661.db2.gz ZHWXCLDOTDKUOB-CQSZACIVSA-N -1 0 425.489 2.112 50 0 IEAARM CCCCc1ccc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(CC(=O)[O-])c4=O)cc1 ZINC000004370778 132271767 /nfs/dbraw/zinc/27/17/67/132271767.db2.gz ZHWXCLDOTDKUOB-AWEZNQCLSA-N -1 0 425.489 2.112 50 0 IEAARM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C)C(=O)[O-])CC1 ZINC000252694368 519819451 /nfs/dbraw/zinc/81/94/51/519819451.db2.gz JUZONQPLLGKSSF-FPCVCCKLSA-N -1 0 427.542 2.048 50 0 biogenic IEAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCOCC2)c1 ZINC000021154261 521546412 /nfs/dbraw/zinc/54/64/12/521546412.db2.gz FDDHZPSXGSDIQP-UHFFFAOYSA-N -1 0 449.529 2.092 50 0 IEAARM COc1cc([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)cc(OC)c1OC ZINC000021108592 522754026 /nfs/dbraw/zinc/75/40/26/522754026.db2.gz BFIGWFJFXSRTFW-UHFFFAOYSA-N -1 0 428.850 2.498 50 0 IEAARM COC(=O)[C@H](CCSC)NC(=O)c1nc([N-]S(=O)(=O)c2ccccc2)sc1C ZINC000012324094 523901028 /nfs/dbraw/zinc/90/10/28/523901028.db2.gz VZTRHLVGYZLGHW-ZDUSSCGKSA-N -1 0 443.572 2.277 50 0 IEAARM COc1cccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)c1 ZINC000020945415 524095484 /nfs/dbraw/zinc/09/54/84/524095484.db2.gz ISHFXQCHRQHBNY-BFUOFWGJSA-N -1 0 432.498 2.487 50 0 IEAARM COc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(S(=O)(=O)c4ccccc4)CC3)c2c1 ZINC000020727298 525494096 /nfs/dbraw/zinc/49/40/96/525494096.db2.gz MXPYVVDIMKPZNT-FQEVSTJZSA-N -1 0 429.498 2.309 50 0 IEAARM O=C(NCCc1ccccn1)c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000012526236 526434965 /nfs/dbraw/zinc/43/49/65/526434965.db2.gz IKFGXXMLHSHXAS-UHFFFAOYSA-N -1 0 437.481 2.025 50 0 IEAARM O=C([O-])Cn1nnc(-c2ccc(OCc3cc4c(cc3Br)OCO4)cc2)n1 ZINC000012374764 527642675 /nfs/dbraw/zinc/64/26/75/527642675.db2.gz MPBOSUJRPDGKRX-UHFFFAOYSA-N -1 0 433.218 2.495 50 0 IEAARM O=C([O-])[C@@H](c1c[nH]c2cc(F)ccc21)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000020723372 527656816 /nfs/dbraw/zinc/65/68/16/527656816.db2.gz IZKLCXFMNSMAPW-LEWJYISDSA-N -1 0 439.443 2.417 50 0 IEAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2I)cc1 ZINC000000898177 555580505 /nfs/dbraw/zinc/58/05/05/555580505.db2.gz PSZDCDXXJQDMOI-UHFFFAOYSA-N -1 0 444.250 2.368 50 0 IEAARM CS(=O)(=O)c1ccc2nc([N-][C@@]3(C(F)(F)F)N=C4SCCN4C3=O)sc2c1 ZINC000002863571 555846466 /nfs/dbraw/zinc/84/64/66/555846466.db2.gz RQZWTDUCANDWTI-CYBMUJFWSA-N -1 0 436.462 2.315 50 0 IEAARM CCOC(=O)[C@@H]1CCCN(C(=O)CCc2nnc(-c3ccc(OCC)cc3)[n-]c2=O)C1 ZINC000034762914 555904856 /nfs/dbraw/zinc/90/48/56/555904856.db2.gz CTVCMBUVZDLVTO-MRXNPFEDSA-N -1 0 428.489 2.377 50 0 IEAARM CC(C)COc1cccc(-c2nnc(CCC(=O)NCCCN3CCOCC3)c(=O)[n-]2)c1 ZINC000034765597 555906264 /nfs/dbraw/zinc/90/62/64/555906264.db2.gz PZHGHCQRYWRUDX-UHFFFAOYSA-N -1 0 443.548 2.050 50 0 IEAARM COc1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000013735038 556297484 /nfs/dbraw/zinc/29/74/84/556297484.db2.gz ATVFWPMOFVXUOX-LLVKDONJSA-N -1 0 444.918 2.462 50 0 IEAARM COC(=O)Cc1sc(NC(=O)CSC2=NC(=O)C(c3ccccc3)C([O-])=N2)nc1C ZINC000013945724 556342657 /nfs/dbraw/zinc/34/26/57/556342657.db2.gz QEYKMXRZYDGXOQ-UHFFFAOYSA-N -1 0 446.510 2.354 50 0 IEAARM CCc1c2c(cc(=O)n1CCCN1CCOCC1)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000013957589 556345598 /nfs/dbraw/zinc/34/55/98/556345598.db2.gz WVGSMJYPLAOVRV-UHFFFAOYSA-N -1 0 439.541 2.375 50 0 IEAARM COc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2cccnc2)cc1OC ZINC000011859165 556367893 /nfs/dbraw/zinc/36/78/93/556367893.db2.gz XFIDXAICANIFSG-RLFYNMQTSA-N -1 0 425.363 2.203 50 0 IEAARM COC(=O)c1sc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c(C(=O)OC)c1C ZINC000013109741 556463329 /nfs/dbraw/zinc/46/33/29/556463329.db2.gz BCXWAQMCQYOEQV-UHFFFAOYSA-N -1 0 427.456 2.202 50 0 IEAARM O=C([O-])c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000013114327 556466728 /nfs/dbraw/zinc/46/67/28/556466728.db2.gz XCBYQQRXLNSMSJ-UHFFFAOYSA-N -1 0 446.481 2.195 50 0 IEAARM O=C([N-]N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1cnn(-c2ccccc2)n1 ZINC000013114595 556467091 /nfs/dbraw/zinc/46/70/91/556467091.db2.gz WISROYWAJNPSDQ-UHFFFAOYSA-N -1 0 438.447 2.408 50 0 IEAARM Cc1ccc(-n2nnnc2SCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000013414997 556505234 /nfs/dbraw/zinc/50/52/34/556505234.db2.gz QOFQSKXFZLQGRX-SFHVURJKSA-N -1 0 436.497 2.356 50 0 IEAARM COC(=O)[C@@]([N-]C(=O)C(F)(F)F)(c1c(C)n(C)n(-c2ccccc2)c1=O)C(F)(F)F ZINC000003103064 556522563 /nfs/dbraw/zinc/52/25/63/556522563.db2.gz IOCQQAYXCBYNIS-HNNXBMFYSA-N -1 0 439.312 2.094 50 0 IEAARM CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](C(=O)[O-])C(C)C)CC1 ZINC000015997061 556572044 /nfs/dbraw/zinc/57/20/44/556572044.db2.gz OYPDPMMOPWYHGV-DLBZAZTESA-N -1 0 441.569 2.390 50 0 IEAARM CCn1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c(C)n1 ZINC000017095063 556658302 /nfs/dbraw/zinc/65/83/02/556658302.db2.gz QSTCNWLNDKTWEO-AWEZNQCLSA-N -1 0 426.564 2.433 50 0 IEAARM COc1cc(Br)c(S(=O)(=O)[N-]c2ccccc2-n2cnnn2)cc1OC ZINC000059006971 556794077 /nfs/dbraw/zinc/79/40/77/556794077.db2.gz NDTNADHLKMVWJN-UHFFFAOYSA-N -1 0 440.279 2.243 50 0 IEAARM CCCC(=O)Nc1ccc2nc(N3CCN(CC(=O)NC(C)C)CC3)cc(C(=O)[O-])c2c1 ZINC000033260615 556897411 /nfs/dbraw/zinc/89/74/11/556897411.db2.gz UWHSDAZOFRXMCL-UHFFFAOYSA-N -1 0 441.532 2.318 50 0 IEAARM O=C([O-])c1ccc(-n2nnnc2SCC(=O)Nc2ccc(Br)cn2)cc1 ZINC000019853841 556931215 /nfs/dbraw/zinc/93/12/15/556931215.db2.gz FSRAHDIYCSVKQA-UHFFFAOYSA-N -1 0 435.263 2.249 50 0 IEAARM C[C@@H](OC(=O)c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000010732770 557021973 /nfs/dbraw/zinc/02/19/73/557021973.db2.gz QTPMAXBMCNYTPC-CQSZACIVSA-N -1 0 426.454 2.461 50 0 IEAARM COC(=O)c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000017949703 557130158 /nfs/dbraw/zinc/13/01/58/557130158.db2.gz YFSJRTTWSAIOHL-GOEBONIOSA-N -1 0 428.242 2.356 50 0 IEAARM COC(=O)C(=C([O-])C(=O)Nc1ccccc1C(=O)OC)c1cnc2cc(C)c(C)cc2n1 ZINC000025585707 557217509 /nfs/dbraw/zinc/21/75/09/557217509.db2.gz CMTWNIBPNCVQNX-LJQANCHMSA-N -1 0 435.436 2.498 50 0 IEAARM CCCCn1nc(C(=O)NCc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)ccc1=O ZINC000072298228 557220495 /nfs/dbraw/zinc/22/04/95/557220495.db2.gz CNZMNIKYVKQTRH-UHFFFAOYSA-N -1 0 447.542 2.231 50 0 IEAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)NCc4ccc(F)cc4)c=3c2=O)cc1Cl ZINC000101083722 557231639 /nfs/dbraw/zinc/23/16/39/557231639.db2.gz DJMSDSKRHVVLAP-ROUUACIJSA-N -1 0 429.839 2.397 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(OC)c(Cl)c4)c=3c2=O)cc1 ZINC000101166004 557257728 /nfs/dbraw/zinc/25/77/28/557257728.db2.gz JEAMLODEPAPNNB-ZWKOTPCHSA-N -1 0 443.847 2.289 50 0 IEAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1ccc2c(c1)OCCO2 ZINC000101165903 557257784 /nfs/dbraw/zinc/25/77/84/557257784.db2.gz JWZPNJPRPBHIEP-ZWKOTPCHSA-N -1 0 441.831 2.043 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(SC)c4)c=3c2=O)cc1 ZINC000101166127 557257986 /nfs/dbraw/zinc/25/79/86/557257986.db2.gz CFJXHEAUNJCDTB-MSOLQXFVSA-N -1 0 425.470 2.349 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4F)c=3c2=O)cc1Cl ZINC000101168817 557258896 /nfs/dbraw/zinc/25/88/96/557258896.db2.gz QFXURLKHFUUAAE-SJORKVTESA-N -1 0 431.811 2.420 50 0 IEAARM CCOc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1 ZINC000101169092 557259182 /nfs/dbraw/zinc/25/91/82/557259182.db2.gz CMKAPXBCMPNDGP-ROUUACIJSA-N -1 0 429.383 2.295 50 0 IEAARM COc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(Cl)c4)c(=O)c2=3)c1 ZINC000101169611 557259265 /nfs/dbraw/zinc/25/92/65/557259265.db2.gz MWEISQKPEYZLKQ-SJORKVTESA-N -1 0 431.811 2.420 50 0 IEAARM CCc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(OC)c4)c(=O)c2=3)cc1 ZINC000101169895 557259660 /nfs/dbraw/zinc/25/96/60/557259660.db2.gz GYAWGVNLMMLQEQ-VQTJNVASSA-N -1 0 437.456 2.198 50 0 IEAARM CCc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(OC)c4)c(=O)c2=3)cc1 ZINC000101169897 557259671 /nfs/dbraw/zinc/25/96/71/557259671.db2.gz GYAWGVNLMMLQEQ-PMACEKPBSA-N -1 0 437.456 2.198 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4)c=3c2=O)cc1OC ZINC000101170083 557259679 /nfs/dbraw/zinc/25/96/79/557259679.db2.gz PDHHBNXFPFCOHX-ZWKOTPCHSA-N -1 0 443.847 2.289 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)c(C)c4)c=3c2=O)cc1OC ZINC000101169888 557259717 /nfs/dbraw/zinc/25/97/17/557259717.db2.gz MZQVZGABVXUJDT-PMACEKPBSA-N -1 0 437.456 2.253 50 0 IEAARM COc1cc(OC)cc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5)no4)c=3c2=O)c1 ZINC000101311490 557271759 /nfs/dbraw/zinc/27/17/59/557271759.db2.gz BLSIYFGHEHLTRV-ROUUACIJSA-N -1 0 434.412 2.247 50 0 IEAARM CCC(=O)N1N=C(c2c([O-])n(C)c(=S)n(C)c2=O)C[C@H]1c1ccc(OC)c(OC)c1 ZINC000101495706 557289613 /nfs/dbraw/zinc/28/96/13/557289613.db2.gz VTJBJPGXIRZMIL-ZDUSSCGKSA-N -1 0 432.502 2.264 50 0 IEAARM COc1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(-c4cccc(Cl)c4)c3=O)=NN2)c(OC)c1 ZINC000101763112 557297495 /nfs/dbraw/zinc/29/74/95/557297495.db2.gz HJGSTTXZBLQOMJ-HNNXBMFYSA-N -1 0 442.859 2.341 50 0 IEAARM COc1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(-c4cccc(Cl)c4)c3=O)=NN2)cc1OC ZINC000101763087 557297557 /nfs/dbraw/zinc/29/75/57/557297557.db2.gz XLZHASVXSZMJOE-CQSZACIVSA-N -1 0 442.859 2.341 50 0 IEAARM O=c1[nH]c([O-])c(C2=NN[C@@H](c3ccc4c(c3)OCO4)C2)c(=O)n1-c1cccc(Cl)c1 ZINC000101763171 557297826 /nfs/dbraw/zinc/29/78/26/557297826.db2.gz IRXZVOBOLDONLD-CYBMUJFWSA-N -1 0 426.816 2.052 50 0 IEAARM COc1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(-c4cccc(Cl)c4)c3=O)=NN2)cc1O ZINC000101763176 557297930 /nfs/dbraw/zinc/29/79/30/557297930.db2.gz QUPQDKINULSPFE-ZDUSSCGKSA-N -1 0 428.832 2.038 50 0 IEAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Br)c3)c(=O)c1=2)Nc1ccccc1 ZINC000102000336 557311360 /nfs/dbraw/zinc/31/13/60/557311360.db2.gz RQSKWQYIQLRYTJ-HOTGVXAUSA-N -1 0 428.246 2.381 50 0 IEAARM COc1ccc(CN(C(=O)C=CC(=O)[O-])[C@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000102651198 557361692 /nfs/dbraw/zinc/36/16/92/557361692.db2.gz QUBQCBFHFRMCTD-JZHDPFOFSA-N -1 0 438.436 2.005 50 0 IEAARM COC(=O)C[C@H](c1cc2c(c(OC)c1)OCO2)c1c(=O)nc2ccc(Cl)cn2c1[O-] ZINC000205962926 557396090 /nfs/dbraw/zinc/39/60/90/557396090.db2.gz YEXMSQZUIMHVTC-GFCCVEGCSA-N -1 0 432.816 2.486 50 0 IEAARM Cn1c2nc(-n3[n-]c(-c4ccco4)cc3=O)n(C/C=C\c3ccccc3)c2c(=O)n(C)c1=O ZINC000104181736 557452464 /nfs/dbraw/zinc/45/24/64/557452464.db2.gz FYLXWGFLWKGBMJ-POHAHGRESA-N -1 0 444.451 2.298 50 0 IEAARM O=C(CC[C@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)N1CCN(c2ccccc2)CC1 ZINC000002966782 557523023 /nfs/dbraw/zinc/52/30/23/557523023.db2.gz JTPIHIOQSLMCOY-LJQANCHMSA-N -1 0 433.537 2.483 50 0 IEAARM COC(=O)c1cc(Br)c(S(=O)(=O)[N-][C@H]2c3ccccc3C[C@@H]2O)s1 ZINC000225419422 557721050 /nfs/dbraw/zinc/72/10/50/557721050.db2.gz CJXHCYYRJZLNKV-AAEUAGOBSA-N -1 0 432.317 2.234 50 0 IEAARM O=C(NCCCN1CCCC1=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccco1)c2=O ZINC000003631875 562936984 /nfs/dbraw/zinc/93/69/84/562936984.db2.gz DVGXHXCVIQKHOH-UHFFFAOYSA-N -1 0 426.498 2.069 50 0 IEAARM CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3=COCCO3)o2)cc1 ZINC000009427812 562970501 /nfs/dbraw/zinc/97/05/01/562970501.db2.gz HSIQQUGHKMADQR-UHFFFAOYSA-N -1 0 442.453 2.492 50 0 IEAARM COc1ccccc1[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)C[C@H](C)O2 ZINC000015936548 563018857 /nfs/dbraw/zinc/01/88/57/563018857.db2.gz HEUMFVYCKHUVQH-GUYCJALGSA-N -1 0 448.497 2.323 50 0 IEAARM COc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@H](C)O3)cc1 ZINC000015936712 563018976 /nfs/dbraw/zinc/01/89/76/563018976.db2.gz ZJHHICKHXXLJFY-SCLBCKFNSA-N -1 0 448.497 2.323 50 0 IEAARM COc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@@H](C)O3)cc1 ZINC000015936715 563018989 /nfs/dbraw/zinc/01/89/89/563018989.db2.gz ZJHHICKHXXLJFY-ACJLOTCBSA-N -1 0 448.497 2.323 50 0 IEAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2)no1 ZINC000000947844 568643843 /nfs/dbraw/zinc/64/38/43/568643843.db2.gz UTNZRRXLPDCTID-UHFFFAOYSA-N -1 0 440.437 2.019 50 0 IEAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCCCN2CCCC2=O)cc1 ZINC000015421393 568761958 /nfs/dbraw/zinc/76/19/58/568761958.db2.gz NHJDLUXDNUUNPJ-UHFFFAOYSA-N -1 0 431.514 2.238 50 0 IEAARM COc1ccc(OC)c([C@H](C)NC(=O)COC(=O)c2ccccc2[N-]S(C)(=O)=O)c1 ZINC000019181021 568783406 /nfs/dbraw/zinc/78/34/06/568783406.db2.gz RWNOACOMIAITEU-ZDUSSCGKSA-N -1 0 436.486 2.110 50 0 IEAARM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2cccc(Cl)c2)cc1 ZINC000083882455 568784456 /nfs/dbraw/zinc/78/44/56/568784456.db2.gz JCBGABILILMLQE-UHFFFAOYSA-N -1 0 426.907 2.439 50 0 IEAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(N3CCCS3(=O)=O)ccc2C)c1 ZINC000015780547 568825363 /nfs/dbraw/zinc/82/53/63/568825363.db2.gz DCHVBQBBJNRROH-UHFFFAOYSA-N -1 0 426.516 2.353 50 0 IEAARM CC(=NNC(=O)c1cc2c(s1)CC[C@@H](C)C2)c1ccc(S(=O)(=O)NCC(=O)[O-])cc1 ZINC000252457547 568922969 /nfs/dbraw/zinc/92/29/69/568922969.db2.gz QPIVFOIAOPCEML-GFCCVEGCSA-N -1 0 449.554 2.390 50 0 IEAARM COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2cccc(-n3[n-]c(=O)ccc3=O)c2)C1 ZINC000089457718 568925604 /nfs/dbraw/zinc/92/56/04/568925604.db2.gz KHVVVHHHLYJNPZ-MRXNPFEDSA-N -1 0 440.887 2.197 50 0 IEAARM CC(C)NC(=O)CN1CCN(c2ccc(NC(=O)c3ccccc3F)c(C(=O)[O-])c2)CC1 ZINC000064589522 568934690 /nfs/dbraw/zinc/93/46/90/568934690.db2.gz XBJVWVNEKBRJDK-UHFFFAOYSA-N -1 0 442.491 2.423 50 0 IEAARM CCCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(Cl)cn3)ccc21 ZINC000064818826 568965336 /nfs/dbraw/zinc/96/53/36/568965336.db2.gz IESPPESBHFNCLH-UHFFFAOYSA-N -1 0 425.850 2.397 50 0 IEAARM O=C(Nc1ccc2c(c1)OCO2)c1nnc(C[N-]S(=O)(=O)c2ccccc2F)s1 ZINC000064991737 569084743 /nfs/dbraw/zinc/08/47/43/569084743.db2.gz YHWCHAUJXQZDDP-UHFFFAOYSA-N -1 0 436.446 2.137 50 0 IEAARM Cc1csc(-c2cc(S(=O)(=O)[N-]c3ccc(S(N)(=O)=O)cc3)c(C)n2C)n1 ZINC000065008994 569087870 /nfs/dbraw/zinc/08/78/70/569087870.db2.gz ULPZQVNAZRFICP-UHFFFAOYSA-N -1 0 426.545 2.214 50 0 IEAARM C[C@H]1CCc2c(sc3[nH]c(=O)c(C(=O)Nc4ccc(S(N)(=O)=O)cc4)c([O-])c23)C1 ZINC000065150478 569111026 /nfs/dbraw/zinc/11/10/26/569111026.db2.gz NAAUGFLBQNLTKA-VIFPVBQESA-N -1 0 433.511 2.320 50 0 IEAARM CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000089791105 569165032 /nfs/dbraw/zinc/16/50/32/569165032.db2.gz IXERNJUYDSSTFF-AWEZNQCLSA-N -1 0 436.964 2.210 50 0 IEAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCC(=O)NCC(=O)[O-])occ3C(C)(C)C ZINC000002125321 569183917 /nfs/dbraw/zinc/18/39/17/569183917.db2.gz RNUZVMUCJFNHSR-UHFFFAOYSA-N -1 0 428.441 2.005 50 0 biogenic IEAARM CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C)C(=O)[O-])CC1 ZINC000252694668 569210877 /nfs/dbraw/zinc/21/08/77/569210877.db2.gz OBTZKGKFJMXNSU-LUKYLMHMSA-N -1 0 441.569 2.438 50 0 biogenic IEAARM CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C)C(=O)[O-])CC1 ZINC000252694671 569211022 /nfs/dbraw/zinc/21/10/22/569211022.db2.gz OBTZKGKFJMXNSU-VQHPVUNQSA-N -1 0 441.569 2.438 50 0 biogenic IEAARM CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1NC(=O)c1ccccc1C(=O)[O-] ZINC000013010269 569306691 /nfs/dbraw/zinc/30/66/91/569306691.db2.gz OEMATARNYHMVCS-UHFFFAOYSA-N -1 0 425.372 2.499 50 0 IEAARM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2S(N)(=O)=O)cc1 ZINC000328594021 569317440 /nfs/dbraw/zinc/31/74/40/569317440.db2.gz JNWQSZVKSNNPBH-UHFFFAOYSA-N -1 0 441.531 2.443 50 0 IEAARM CS(=O)(=O)c1ccc(-c2cnc(CCC(=O)N[C@H](Cc3ccccc3)C(=O)[O-])o2)cc1 ZINC000095424037 569365807 /nfs/dbraw/zinc/36/58/07/569365807.db2.gz PBUHBLILJHBHNV-GOSISDBHSA-N -1 0 442.493 2.490 50 0 IEAARM Cc1cc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc(S(=O)(=O)N(C)C)c1C ZINC000095424593 569365878 /nfs/dbraw/zinc/36/58/78/569365878.db2.gz SUOAMFQFIGDKJF-LJQANCHMSA-N -1 0 443.525 2.461 50 0 IEAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(OC)cc4OC)c=3c2=O)cc1 ZINC000095481456 569374075 /nfs/dbraw/zinc/37/40/75/569374075.db2.gz VCQJUXDAKRZTIZ-UXHICEINSA-N -1 0 437.456 2.198 50 0 IEAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(OC)cc4OC)c=3c2=O)cc1 ZINC000095481457 569374091 /nfs/dbraw/zinc/37/40/91/569374091.db2.gz VCQJUXDAKRZTIZ-WOJBJXKFSA-N -1 0 437.456 2.198 50 0 IEAARM CCCO[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)[O-])o3)CC2)CC1 ZINC000095969729 569377353 /nfs/dbraw/zinc/37/73/53/569377353.db2.gz SCTQVMKGOZQJEN-INIZCTEOSA-N -1 0 442.534 2.186 50 0 IEAARM CCOc1cc(C(=O)N(CC(=O)[O-])C2CCOCC2)ccc1OCC(=O)N1CCCCC1 ZINC000095970155 569377385 /nfs/dbraw/zinc/37/73/85/569377385.db2.gz IKDFAASKGQHMOA-UHFFFAOYSA-N -1 0 448.516 2.182 50 0 IEAARM COc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(Cl)c3)c(=O)c1=2 ZINC000096319792 569393958 /nfs/dbraw/zinc/39/39/58/569393958.db2.gz FHROQQARBOWTOR-DLBZAZTESA-N -1 0 431.811 2.420 50 0 IEAARM CCOc1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000096326953 569396273 /nfs/dbraw/zinc/39/62/73/569396273.db2.gz SIGBKYVHOPTJLS-UHFFFAOYSA-N -1 0 443.485 2.269 50 0 IEAARM CC[NH+]1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cc(OC)ccc2OC)CC1 ZINC000058009369 569444727 /nfs/dbraw/zinc/44/47/27/569444727.db2.gz HDIHKPSZTNNJLW-UHFFFAOYSA-N -1 0 449.529 2.345 50 0 IEAARM CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000003346369 569447117 /nfs/dbraw/zinc/44/71/17/569447117.db2.gz DFILECCFKQYYBO-UHFFFAOYSA-N -1 0 439.515 2.330 50 0 IEAARM Cc1cc(C)n2nc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)nc2n1 ZINC000003360221 569447813 /nfs/dbraw/zinc/44/78/13/569447813.db2.gz YXYFQPLYUQZESZ-UHFFFAOYSA-N -1 0 429.487 2.251 50 0 IEAARM O=C([O-])/C=C/C(=O)Nc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCN(c4ccccn4)CC3)c2c1 ZINC000031819844 569458036 /nfs/dbraw/zinc/45/80/36/569458036.db2.gz CUYCLVBISWHGTR-XYXUZSOXSA-N -1 0 449.467 2.090 50 0 IEAARM CS(=O)(=O)N1CCN([C@@H](C(=O)[O-])c2c[nH]c3cc(OCc4ccccc4)ccc32)CC1 ZINC000032074797 569459367 /nfs/dbraw/zinc/45/93/67/569459367.db2.gz NYJJVVFNMRZYHV-OAQYLSRUSA-N -1 0 443.525 2.450 50 0 IEAARM COc1ccc(S(=O)(=O)[N-]c2cc(N3CCCS3(=O)=O)ccc2C)c(OC)c1 ZINC000008768498 569474965 /nfs/dbraw/zinc/47/49/65/569474965.db2.gz PZSZTHBVCAGHQE-UHFFFAOYSA-N -1 0 426.516 2.353 50 0 IEAARM C[C@H](NC(=O)[C@H](C)NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000008790411 569476058 /nfs/dbraw/zinc/47/60/58/569476058.db2.gz YFECGJUZJGVOSH-HOTGVXAUSA-N -1 0 447.532 2.049 50 0 biogenic IEAARM CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N2CCC[C@H]2C(=O)[O-])CC1 ZINC000008917891 569486142 /nfs/dbraw/zinc/48/61/42/569486142.db2.gz AAMNUUFZBKJWJD-IRXDYDNUSA-N -1 0 439.553 2.240 50 0 biogenic IEAARM CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2-n2ccnn2)cc1 ZINC000040115582 569489234 /nfs/dbraw/zinc/48/92/34/569489234.db2.gz KPYHFVQTLFMLRK-UHFFFAOYSA-N -1 0 435.531 2.099 50 0 IEAARM CSCC[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])n1c(=O)[nH]c2ccccc2c1=O ZINC000008995309 569495610 /nfs/dbraw/zinc/49/56/10/569495610.db2.gz HWTSIUCMYWYGMD-ROUUACIJSA-N -1 0 441.509 2.208 50 0 biogenic IEAARM COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000009295491 569520384 /nfs/dbraw/zinc/52/03/84/569520384.db2.gz ZNEQGGGSDYRRLG-LYPXWFNGSA-N -1 0 434.473 2.106 50 0 IEAARM Nc1nc(SCC(=O)NCc2ccc(F)cc2)[n-]c(=O)c1NC(=O)c1ccccc1 ZINC000009518034 569543844 /nfs/dbraw/zinc/54/38/44/569543844.db2.gz KJZINXPIGSQYKK-UHFFFAOYSA-N -1 0 427.461 2.152 50 0 IEAARM CC(=O)Nc1nc(SCC(=O)Nc2cc(C)on2)[n-]c(=O)c1NC(=O)c1ccccc1 ZINC000009518256 569544019 /nfs/dbraw/zinc/54/40/19/569544019.db2.gz OLEPGVBATXWGSS-UHFFFAOYSA-N -1 0 442.457 2.008 50 0 IEAARM COc1cccc2sc(N(C)CC(=O)Nc3ccc(S(=O)(=O)[N-]C(C)=O)cc3)nc21 ZINC000070640876 569549095 /nfs/dbraw/zinc/54/90/95/569549095.db2.gz YNGCXSVPOOBWDR-UHFFFAOYSA-N -1 0 448.526 2.205 50 0 IEAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(-c3ccc(S(C)(=O)=O)nn3)cc2)c1 ZINC000009650547 569556526 /nfs/dbraw/zinc/55/65/26/569556526.db2.gz QUTATUFGPISCEO-UHFFFAOYSA-N -1 0 449.510 2.365 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(F)c4)c=3c2=O)cc1Cl ZINC000009674953 569559212 /nfs/dbraw/zinc/55/92/12/569559212.db2.gz NJPSNMPAABTJEO-DLBZAZTESA-N -1 0 431.811 2.420 50 0 IEAARM Cc1ccc(C(=O)NCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)s1 ZINC000009698207 569561178 /nfs/dbraw/zinc/56/11/78/569561178.db2.gz WBEGUBFJSCFFRB-UHFFFAOYSA-N -1 0 431.499 2.016 50 0 IEAARM O=C1CCCN1c1cccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000009915518 569573420 /nfs/dbraw/zinc/57/34/20/569573420.db2.gz WFKOBXHBVBKGCH-UHFFFAOYSA-N -1 0 449.554 2.399 50 0 IEAARM O=C(NC1CC1)c1ccccc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009950788 569574395 /nfs/dbraw/zinc/57/43/95/569574395.db2.gz OGCPVRJBRIBQSV-UHFFFAOYSA-N -1 0 449.554 2.164 50 0 IEAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccc(C(=O)N4CCN(C)CC4)cc3s2)cc1 ZINC000013689294 569584660 /nfs/dbraw/zinc/58/46/60/569584660.db2.gz ALNMRJLQJIGODF-UHFFFAOYSA-N -1 0 446.554 2.493 50 0 IEAARM C[C@H]1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc(NC(=O)COCC(=O)[O-])cc1 ZINC000004482019 132272198 /nfs/dbraw/zinc/27/21/98/132272198.db2.gz DBVXSRQLTWGNCC-ZDUSSCGKSA-N -1 0 436.461 2.395 50 0 IEAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2CCC[C@H](C(N)=O)C2)cc1 ZINC000008900871 132297392 /nfs/dbraw/zinc/29/73/92/132297392.db2.gz SGLDBSQOULBARY-HNNXBMFYSA-N -1 0 425.514 2.441 50 0 IEAARM Cn1c2nc3n(c2c(=O)n(CC(=O)[O-])c1=O)CCCN3c1ccc(Oc2ccccc2)cc1 ZINC000010271962 132335243 /nfs/dbraw/zinc/33/52/43/132335243.db2.gz PGKHCJIVFJXXIJ-UHFFFAOYSA-N -1 0 447.451 2.315 50 0 IEAARM O=C([O-])[C@@H]1C2C[C@H]3C[C@@H](C2)CC1(n1ncc(N2CCC4(CC2)OCCO4)c(Cl)c1=O)C3 ZINC000013135627 132345644 /nfs/dbraw/zinc/34/56/44/132345644.db2.gz HYXRIRSXTMQTLI-QDQDOBPPSA-N -1 0 449.935 2.476 50 0 IEAARM CC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)[O-])N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012874718 519770110 /nfs/dbraw/zinc/77/01/10/519770110.db2.gz XIIBSDVOMUVKRA-DYALPIRYSA-N -1 0 440.500 2.207 50 0 biogenic IEAARM CCN(CC[NH+](C)C)c1ncc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000035479695 521044532 /nfs/dbraw/zinc/04/45/32/521044532.db2.gz UKJIANZPKYIFNS-UHFFFAOYSA-N -1 0 428.461 2.247 50 0 IEAARM CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)[O-] ZINC000021992208 521249978 /nfs/dbraw/zinc/24/99/78/521249978.db2.gz YNLDFNVDZZGPHE-HOTGVXAUSA-N -1 0 432.439 2.443 50 0 in-vitro IEAARM CCOc1cccc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)c1OCC(=O)[O-] ZINC000012406818 521314236 /nfs/dbraw/zinc/31/42/36/521314236.db2.gz VBSYJZFDQYPMLD-GDNBJRDFSA-N -1 0 434.470 2.207 50 0 IEAARM CC[C@@H](C)[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)N[C@@H](CCSC)C(=O)[O-] ZINC000012664459 522375365 /nfs/dbraw/zinc/37/53/65/522375365.db2.gz WHXAGDDFGNLCJU-KMFMINBZSA-N -1 0 447.561 2.303 50 0 biogenic IEAARM CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])C(C)C)CC1 ZINC000012865314 522377390 /nfs/dbraw/zinc/37/73/90/522377390.db2.gz HTBVVKNIEQSHHZ-PVAVHDDUSA-N -1 0 441.569 2.390 50 0 biogenic IEAARM COc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000012604555 523623527 /nfs/dbraw/zinc/62/35/27/523623527.db2.gz OXOUNUIKZFPYBS-UHFFFAOYSA-N -1 0 431.514 2.142 50 0 IEAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c1C ZINC000012507866 524190720 /nfs/dbraw/zinc/19/07/20/524190720.db2.gz LQWFRHQHXYNTEA-UHFFFAOYSA-N -1 0 426.516 2.361 50 0 IEAARM COc1cccc2c([C@@H](C(=O)[O-])N3CCN(S(=O)(=O)c4ccccc4)CC3)c[nH]c21 ZINC000020732591 524201152 /nfs/dbraw/zinc/20/11/52/524201152.db2.gz RFLQPQUWBZPOFS-FQEVSTJZSA-N -1 0 429.498 2.309 50 0 IEAARM Cc1ccc(S(=O)(=O)[N-]C(=O)NC2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1 ZINC000001048407 525562249 /nfs/dbraw/zinc/56/22/49/525562249.db2.gz YEGSVKBKIFWARL-UHFFFAOYSA-N -1 0 443.451 2.461 50 0 IEAARM Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000012605191 526169437 /nfs/dbraw/zinc/16/94/37/526169437.db2.gz XJZUZCXJCGYXCC-UHFFFAOYSA-N -1 0 440.319 2.498 50 0 IEAARM Cn1[n-]c(=O)nc1SCc1nc2c(Br)cc(Br)cc2c(=O)[nH]1 ZINC000012593102 527015965 /nfs/dbraw/zinc/01/59/65/527015965.db2.gz ASENZLJIZVIFFB-UHFFFAOYSA-N -1 0 447.112 2.162 50 0 IEAARM O=C1[N-]C(=O)[C@@]2(Cc3ccccc3N3CCSC[C@H]32)C(=O)N1c1ccc2c(c1)OCO2 ZINC000036056356 527054018 /nfs/dbraw/zinc/05/40/18/527054018.db2.gz VZQGAPHWCYRBPY-AVRDEDQJSA-N -1 0 437.477 2.163 50 0 IEAARM O=C([O-])C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CC1 ZINC000012794427 527562690 /nfs/dbraw/zinc/56/26/90/527562690.db2.gz WOTRSZBJIKNLCJ-UHFFFAOYSA-N -1 0 434.558 2.289 50 0 IEAARM CCC(NNC(=S)Nc1ccccc1)=C1C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O ZINC000013593169 535227417 /nfs/dbraw/zinc/22/74/17/535227417.db2.gz DEMDYBQBITVOCH-WUKNDPDISA-N -1 0 439.497 2.433 50 0 IEAARM COc1ccccc1N1CCN(C(=O)C[C@H]2N=C3c4ccccc4[N-]C(=S)N3C2=O)CC1 ZINC000002966955 537065969 /nfs/dbraw/zinc/06/59/69/537065969.db2.gz SGMPJGXDKMAGIG-QGZVFWFLSA-N -1 0 449.536 2.102 50 0 IEAARM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1nc(CC(=O)N2CCN(C)CC2)cs1 ZINC000000603833 555510773 /nfs/dbraw/zinc/51/07/73/555510773.db2.gz YDPRNGAPPNPYQQ-UHFFFAOYSA-N -1 0 428.967 2.222 50 0 in-vivo IEAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc(I)c2)cc1 ZINC000000898197 555580588 /nfs/dbraw/zinc/58/05/88/555580588.db2.gz OLKRANLVQRYKNB-UHFFFAOYSA-N -1 0 444.250 2.368 50 0 IEAARM Cc1ccc(S(=O)(=O)[N-]C(=O)N2CCCN(c3nccc(C(F)(F)F)n3)CC2)cc1 ZINC000001023519 555604034 /nfs/dbraw/zinc/60/40/34/555604034.db2.gz IRQHADWHEADUGF-UHFFFAOYSA-N -1 0 443.451 2.414 50 0 IEAARM COc1ccc(CN(C(=O)c2nc3n(n2)-c2ccccc2S(=O)(=O)[N-]3)C2CC2)cc1 ZINC000071890339 555744074 /nfs/dbraw/zinc/74/40/74/555744074.db2.gz JQHLCURHPZVURQ-UHFFFAOYSA-N -1 0 425.470 2.195 50 0 IEAARM COc1ccccc1CCN(C(=O)C=CC(=O)[O-])[C@H]1CC(=O)N(c2ccccc2C)C1=O ZINC000002793065 555821664 /nfs/dbraw/zinc/82/16/64/555821664.db2.gz PVQIJCLVISYLRY-CVTTXWKISA-N -1 0 436.464 2.348 50 0 IEAARM CS(=O)(=O)c1ccc2nc([N-][C@]3(C(F)(F)F)N=C4SCCN4C3=O)sc2c1 ZINC000002863570 555846088 /nfs/dbraw/zinc/84/60/88/555846088.db2.gz RQZWTDUCANDWTI-ZDUSSCGKSA-N -1 0 436.462 2.315 50 0 IEAARM COc1cc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])ccc1NC(C)=O ZINC000004205023 555976022 /nfs/dbraw/zinc/97/60/22/555976022.db2.gz FDSFCRYDMANLLW-SFHVURJKSA-N -1 0 431.470 2.109 50 0 IEAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000008723262 556203744 /nfs/dbraw/zinc/20/37/44/556203744.db2.gz RTGSGJSXRDTZQU-UHFFFAOYSA-N -1 0 425.919 2.221 50 0 IEAARM CCOC(=O)N1CCC(NC(=O)c2ccc3nc([N-]S(C)(=O)=O)sc3c2)CC1 ZINC000013691396 556280588 /nfs/dbraw/zinc/28/05/88/556280588.db2.gz RLDMBTFQKUNRSA-UHFFFAOYSA-N -1 0 426.520 2.019 50 0 IEAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 ZINC000009426634 556290611 /nfs/dbraw/zinc/29/06/11/556290611.db2.gz MCJXQUCANVGUGF-MRXNPFEDSA-N -1 0 429.498 2.120 50 0 IEAARM COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)Cn2nnc3c2c(=O)[nH][n-]c3=O)cc1 ZINC000013959482 556346411 /nfs/dbraw/zinc/34/64/11/556346411.db2.gz LBOXUXMQLKDNHY-KRWDZBQOSA-N -1 0 445.439 2.019 50 0 IEAARM COC(=O)c1sc(S(=O)(=O)[N-]c2cc(OC)cc(OC)c2)c(C(=O)OC)c1C ZINC000014065911 556358989 /nfs/dbraw/zinc/35/89/89/556358989.db2.gz WZRBCRJFWWGCCF-UHFFFAOYSA-N -1 0 429.472 2.448 50 0 IEAARM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cc1S(=O)(=O)N(C)C ZINC000013078572 556455934 /nfs/dbraw/zinc/45/59/34/556455934.db2.gz YRFUUTTWYJUEOH-UHFFFAOYSA-N -1 0 426.516 2.361 50 0 IEAARM O=C([O-])[C@@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000013121150 556473851 /nfs/dbraw/zinc/47/38/51/556473851.db2.gz BWAQWHHMKQFJJJ-HNNXBMFYSA-N -1 0 434.436 2.182 50 0 IEAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnnn1Cc1ccccc1 ZINC000013406354 556504790 /nfs/dbraw/zinc/50/47/90/556504790.db2.gz REZVQSPFGQZGGB-SFHVURJKSA-N -1 0 436.497 2.107 50 0 IEAARM CC1(C)Cc2c(sc3c2c(=O)n(CC(=O)[O-])c(=O)n3CC(=O)c2ccccc2)CO1 ZINC000013607681 556533612 /nfs/dbraw/zinc/53/36/12/556533612.db2.gz YJRIELMKLQUQIK-UHFFFAOYSA-N -1 0 428.466 2.044 50 0 IEAARM O=C(NCCCN1CCOCC1)C1(c2ccc([N-]S(=O)(=O)c3cccs3)cc2)CC1 ZINC000033115433 556555433 /nfs/dbraw/zinc/55/54/33/556555433.db2.gz VOUFUXHYEJVANR-UHFFFAOYSA-N -1 0 449.598 2.419 50 0 IEAARM COc1ccccc1N1CCN(c2ncc(C(=O)NCc3cccc(F)c3)c(=O)[nH]2)CC1 ZINC000036314033 556596492 /nfs/dbraw/zinc/59/64/92/556596492.db2.gz KGDHTCBZBKRAIZ-UHFFFAOYSA-N -1 0 437.475 2.174 50 0 IEAARM CCn1ncc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c1C ZINC000017095066 556658354 /nfs/dbraw/zinc/65/83/54/556658354.db2.gz LROUEXJHKBUSKW-AWEZNQCLSA-N -1 0 426.564 2.433 50 0 IEAARM CC(C)Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])CC2)cc1 ZINC000017099014 556664042 /nfs/dbraw/zinc/66/40/42/556664042.db2.gz NAPVQXUVWFZXRG-PMACEKPBSA-N -1 0 434.558 2.385 50 0 IEAARM CC(C)Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])CC2)cc1 ZINC000017099015 556664065 /nfs/dbraw/zinc/66/40/65/556664065.db2.gz NAPVQXUVWFZXRG-WOJBJXKFSA-N -1 0 434.558 2.385 50 0 IEAARM O=C([O-])CNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1cccc(Br)c1 ZINC000017143550 556669727 /nfs/dbraw/zinc/66/97/27/556669727.db2.gz KLZUOKGSEPQTIW-NSIKDUERSA-N -1 0 447.241 2.150 50 0 IEAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 ZINC000011904503 556670373 /nfs/dbraw/zinc/67/03/73/556670373.db2.gz NIETWYVHHCGJDM-UHFFFAOYSA-N -1 0 430.891 2.216 50 0 IEAARM CC(C)[C@H](C(=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3[nH]c(=O)sc3C4(C)C)[C@@H]2C1=O ZINC000248267852 556678297 /nfs/dbraw/zinc/67/82/97/556678297.db2.gz YMLJWSIWMJJMGD-AIGXORKKSA-N -1 0 436.555 2.165 50 0 IEAARM COc1ccc(CCN(C(=O)C=CC(=O)[O-])[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000018137093 556684737 /nfs/dbraw/zinc/68/47/37/556684737.db2.gz UAKISVCGHUHSEG-VYENPZKTSA-N -1 0 440.427 2.178 50 0 IEAARM COc1ccc(CN(C(=O)C=CC(=O)[O-])[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000018285687 556689407 /nfs/dbraw/zinc/68/94/07/556689407.db2.gz UBQVOOMFHXNJRI-ZGKFYVQTSA-N -1 0 426.400 2.136 50 0 IEAARM CS(=O)(=O)[N-]c1ccsc1C(=O)NC1CCN(C(=O)NC2CCCCC2)CC1 ZINC000058051975 556755351 /nfs/dbraw/zinc/75/53/51/556755351.db2.gz INFMTHWKYULGGW-UHFFFAOYSA-N -1 0 428.580 2.356 50 0 IEAARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C ZINC000059250738 556795894 /nfs/dbraw/zinc/79/58/94/556795894.db2.gz IDUHXAAXJXFPGK-UHFFFAOYSA-N -1 0 442.423 2.064 50 0 IEAARM CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCC(C(=O)N[C@H](C)C(=O)[O-])CC1 ZINC000008791383 556801717 /nfs/dbraw/zinc/80/17/17/556801717.db2.gz OBTZKGKFJMXNSU-RDHHWEPZSA-N -1 0 441.569 2.438 50 0 IEAARM Cc1cc([N-]S(=O)(=O)c2ccc(-c3n[nH]cc3C(=O)N3CCOCC3)o2)ccc1F ZINC000097940830 556811423 /nfs/dbraw/zinc/81/14/23/556811423.db2.gz DQJXSSRQDQVPOW-UHFFFAOYSA-N -1 0 434.449 2.390 50 0 IEAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000019645502 556840107 /nfs/dbraw/zinc/84/01/07/556840107.db2.gz KSZHYBWATBTWMT-UQZDFYISSA-N -1 0 446.978 2.371 50 0 IEAARM CCCNC(=O)CN1CCN(c2ccc(NC(=O)c3ccccc3F)cc2C(=O)[O-])CC1 ZINC000033078716 556854038 /nfs/dbraw/zinc/85/40/38/556854038.db2.gz TYKHEPDEBJZFSN-UHFFFAOYSA-N -1 0 442.491 2.424 50 0 IEAARM CCNc1ccc(C(=O)OCC)cc1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000022990056 557055926 /nfs/dbraw/zinc/05/59/26/557055926.db2.gz CIADRZYMATWJDH-UHFFFAOYSA-N -1 0 426.516 2.499 50 0 IEAARM COCCOc1cc(NS(=O)(=O)c2cccc(C(=O)OC)c2)c(C(=O)[O-])cc1OC ZINC000024262663 557142323 /nfs/dbraw/zinc/14/23/23/557142323.db2.gz IFLBKLNUVUOCJH-UHFFFAOYSA-N -1 0 439.442 2.006 50 0 IEAARM CC(C)(C)OC(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2SCC(=O)[O-])CC1 ZINC000095099738 557156150 /nfs/dbraw/zinc/15/61/50/557156150.db2.gz SXOJKERLLPHWMK-UHFFFAOYSA-N -1 0 446.529 2.466 50 0 IEAARM O=C(CCn1c(=O)oc2ccccc21)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000018113958 557237522 /nfs/dbraw/zinc/23/75/22/557237522.db2.gz IEBSMUZSAXQSCW-UHFFFAOYSA-N -1 0 439.453 2.214 50 0 IEAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Br)c3)c(=O)c1=2)Nc1ccccc1 ZINC000018162302 557244933 /nfs/dbraw/zinc/24/49/33/557244933.db2.gz RQSKWQYIQLRYTJ-JKSUJKDBSA-N -1 0 428.246 2.381 50 0 IEAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1ccc2c(c1)OCCO2 ZINC000101165896 557257715 /nfs/dbraw/zinc/25/77/15/557257715.db2.gz JWZPNJPRPBHIEP-ROUUACIJSA-N -1 0 441.831 2.043 50 0 IEAARM CCc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(OC)c(OC)c3)c(=O)c1=2 ZINC000101390271 557282868 /nfs/dbraw/zinc/28/28/68/557282868.db2.gz DIRDPAIJOOFMAI-VQTJNVASSA-N -1 0 437.456 2.198 50 0 IEAARM CCOc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cc(C(=O)OC)ccc4OC)c=3c2=O)cc1 ZINC000101417840 557284913 /nfs/dbraw/zinc/28/49/13/557284913.db2.gz ZGRKXTARGPVNML-MOPGFXCFSA-N -1 0 438.440 2.374 50 0 IEAARM O=c1[nH]c(=O)n(Cc2ccccc2)c([O-])c1C1=NN[C@@H](c2ccc(Br)cc2)C1 ZINC000101762419 557297003 /nfs/dbraw/zinc/29/70/03/557297003.db2.gz OAUNVFPRUZMUOD-OAHLLOKOSA-N -1 0 441.285 2.492 50 0 IEAARM COc1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(-c4cc(C)cc(C)c4)c3=O)=NN2)c(OC)c1 ZINC000101762991 557297482 /nfs/dbraw/zinc/29/74/82/557297482.db2.gz DTAMMYIZRQYPHB-QGZVFWFLSA-N -1 0 436.468 2.304 50 0 IEAARM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2-n2cccn2)c1 ZINC000023395613 557352476 /nfs/dbraw/zinc/35/24/76/557352476.db2.gz JZHAIDFOTUGAAY-UHFFFAOYSA-N -1 0 446.432 2.339 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4Cl)c=3c2=O)cc1OC ZINC000101169791 557455787 /nfs/dbraw/zinc/45/57/87/557455787.db2.gz JKHPCFOQJHXZNX-ZWKOTPCHSA-N -1 0 443.847 2.289 50 0 IEAARM COc1cc(OC)cc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5)no4)c=3c2=O)c1 ZINC000101311497 557456457 /nfs/dbraw/zinc/45/64/57/557456457.db2.gz BLSIYFGHEHLTRV-QZTJIDSGSA-N -1 0 434.412 2.247 50 0 IEAARM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccccc1I ZINC000040150890 557703902 /nfs/dbraw/zinc/70/39/02/557703902.db2.gz ZHUNXOASNTYIJG-UHFFFAOYSA-N -1 0 435.243 2.300 50 0 IEAARM COC(=O)c1ccc(S(N)(=O)=O)c([N-]S(=O)(=O)c2c(C)sc3ccccc32)c1 ZINC000225395624 557718391 /nfs/dbraw/zinc/71/83/91/557718391.db2.gz TZAMZSHZLZYOSP-UHFFFAOYSA-N -1 0 440.524 2.445 50 0 IEAARM COC(=O)c1cc(Br)c(S(=O)(=O)[N-][C@@H]2c3ccccc3C[C@@H]2O)s1 ZINC000225419462 557721032 /nfs/dbraw/zinc/72/10/32/557721032.db2.gz CJXHCYYRJZLNKV-WCQYABFASA-N -1 0 432.317 2.234 50 0 IEAARM Cc1ccc(F)c(C(=O)[N-]S(=O)(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)c1 ZINC000225525909 557735959 /nfs/dbraw/zinc/73/59/59/557735959.db2.gz GTRUKTFBCQOIJU-UHFFFAOYSA-N -1 0 434.898 2.157 50 0 IEAARM C[C@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1)C(=O)NC(N)=O ZINC000003343506 562934523 /nfs/dbraw/zinc/93/45/23/562934523.db2.gz BKSZLJOKXDDINK-VIFPVBQESA-N -1 0 443.840 2.020 50 0 IEAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3COc4ccccc4O3)cc2)n1 ZINC000006156082 562946343 /nfs/dbraw/zinc/94/63/43/562946343.db2.gz SKPKBMGEDUGATK-SFHVURJKSA-N -1 0 426.454 2.364 50 0 IEAARM COc1ccc2c(cc(C(=O)N[C@@H](CCSC)C(=O)N3CCC[C@H]3C(=O)[O-])n2C)c1 ZINC000008792008 562964197 /nfs/dbraw/zinc/96/41/97/562964197.db2.gz ZRLMZETXWKZLOA-RDJZCZTQSA-N -1 0 433.530 2.114 50 0 biogenic IEAARM O=C([O-])c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000009495746 562972342 /nfs/dbraw/zinc/97/23/42/562972342.db2.gz GGFHQXZUYSBKSC-UHFFFAOYSA-N -1 0 446.481 2.195 50 0 IEAARM COc1ccc(Cn2cccc(C(=O)[N-]S(=O)(=O)c3ccc(OC)cc3)c2=O)cc1 ZINC000001397082 568786116 /nfs/dbraw/zinc/78/61/16/568786116.db2.gz JAFXGOILEPCKHS-UHFFFAOYSA-N -1 0 428.466 2.033 50 0 IEAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2cccn(Cc3ccc(C)cc3)c2=O)cc1 ZINC000015882808 568857446 /nfs/dbraw/zinc/85/74/46/568857446.db2.gz YZLYEXJKHYQCIF-UHFFFAOYSA-N -1 0 439.493 2.282 50 0 IEAARM COc1c(F)c(F)c(S(=O)(=O)[N-]C[C@H]2CN(Cc3ccccc3)CCO2)c(F)c1F ZINC000012949814 568871830 /nfs/dbraw/zinc/87/18/30/568871830.db2.gz LZMYEZKASRXHAJ-ZDUSSCGKSA-N -1 0 448.438 2.431 50 0 IEAARM Cc1cc(S(=O)(=O)NCCn2nc(C(F)(F)F)n(C)c2=O)c(Cl)cc1Cl ZINC000090591502 568888456 /nfs/dbraw/zinc/88/84/56/568888456.db2.gz CTGGQTHSCUPHOU-UHFFFAOYSA-N -1 0 433.239 2.194 50 0 IEAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4n(n3)CCCO4)cc2)nc(C)n1 ZINC000090583671 568888464 /nfs/dbraw/zinc/88/84/64/568888464.db2.gz HMGFXMYEPGPHSG-UHFFFAOYSA-N -1 0 428.474 2.126 50 0 IEAARM O=C([O-])c1ccc(C=NNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000252595867 568925943 /nfs/dbraw/zinc/92/59/43/568925943.db2.gz CEQHJTXSEMZZGM-QGZVFWFLSA-N -1 0 435.889 2.342 50 0 IEAARM CCc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(S(N)(=O)=O)cc3)c(C)s2)no1 ZINC000064844622 568971860 /nfs/dbraw/zinc/97/18/60/568971860.db2.gz KIZYFRDHFCRXOW-UHFFFAOYSA-N -1 0 428.517 2.117 50 0 IEAARM COc1ccc(-c2nnc(-c3ccc(C)c(S(=O)(=O)N(C)CC(=O)[O-])c3)o2)cc1OC ZINC000064988079 569082815 /nfs/dbraw/zinc/08/28/15/569082815.db2.gz QCSFVDQDPJTDBC-UHFFFAOYSA-N -1 0 447.469 2.434 50 0 IEAARM COc1ccc(-c2nnc(-c3ccc(C)c(S(=O)(=O)N[C@H](C)C(=O)[O-])c3)o2)cc1OC ZINC000064988047 569082821 /nfs/dbraw/zinc/08/28/21/569082821.db2.gz RZTHMOATHSKRGQ-GFCCVEGCSA-N -1 0 447.469 2.481 50 0 IEAARM COc1ccc2c(c1)c([C@H](C(=O)[O-])[NH+]1CCN(Cc3ccccn3)CC1)cn2CC(=O)[O-] ZINC000036358794 569085295 /nfs/dbraw/zinc/08/52/95/569085295.db2.gz PEGUREJYQVOTKD-JOCHJYFZSA-N -1 0 438.484 2.073 50 0 IEAARM O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(c3ncccn3)CC2)c2ccc(Cl)cc21 ZINC000036359197 569085638 /nfs/dbraw/zinc/08/56/38/569085638.db2.gz CETYXCFEHYSFQF-GOSISDBHSA-N -1 0 429.864 2.117 50 0 IEAARM NC(=O)NCCC[C@@H](NC(=O)Cn1ccc2cc(OCc3ccccc3)ccc21)C(=O)[O-] ZINC000036360605 569086538 /nfs/dbraw/zinc/08/65/38/569086538.db2.gz ZBHIZRSGHJAJIS-LJQANCHMSA-N -1 0 438.484 2.238 50 0 IEAARM O=C(c1nc(-c2csc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)no1)N1CCOCC1 ZINC000065097514 569103890 /nfs/dbraw/zinc/10/38/90/569103890.db2.gz KDNLRDHVKHCJSB-UHFFFAOYSA-N -1 0 438.462 2.210 50 0 IEAARM Cc1cc(S(=O)(=O)[N-]c2cnn(-c3ncc(N4CCSCC4)cn3)c2)ccc1F ZINC000065231926 569118674 /nfs/dbraw/zinc/11/86/74/569118674.db2.gz RCRKXMLGJAZCOK-UHFFFAOYSA-N -1 0 434.522 2.464 50 0 IEAARM O=C([O-])CCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3C43CCCCC3)[C@@H]2C1=O ZINC000238899337 569137780 /nfs/dbraw/zinc/13/77/80/569137780.db2.gz FUPMLKHYFHMFNU-MSMPLYEQSA-N -1 0 448.566 2.454 50 0 IEAARM C/C(=C/C(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)cc1)C(=O)[O-] ZINC000037019037 569139614 /nfs/dbraw/zinc/13/96/14/569139614.db2.gz XOXXGNAGIDHREK-RAXLEYEMSA-N -1 0 440.408 2.223 50 0 IEAARM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3ncn(C)n3)cc2)c(Br)o1 ZINC000170594355 569141424 /nfs/dbraw/zinc/14/14/24/569141424.db2.gz ZGNGIPXHCCUKDK-UHFFFAOYSA-N -1 0 441.263 2.425 50 0 IEAARM O=C(CN1C(=O)CSc2ccccc21)[N-]S(=O)(=O)c1ccc(-n2cccc2)cc1 ZINC000170597119 569142158 /nfs/dbraw/zinc/14/21/58/569142158.db2.gz JBCJYAKVYYECMN-UHFFFAOYSA-N -1 0 427.507 2.421 50 0 IEAARM O=S(=O)([N-]c1nccn1-c1ccccc1)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000170617370 569147110 /nfs/dbraw/zinc/14/71/10/569147110.db2.gz GULHKKAIZVVZCS-UHFFFAOYSA-N -1 0 432.527 2.458 50 0 IEAARM COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3nncs3)cc2)c(C)c1 ZINC000089591328 569159702 /nfs/dbraw/zinc/15/97/02/569159702.db2.gz QHJRJRNQUVHFGJ-UHFFFAOYSA-N -1 0 440.528 2.457 50 0 IEAARM COc1ccc2c(C)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)[O-])c(=O)oc2c1C ZINC000002096644 569179239 /nfs/dbraw/zinc/17/92/39/569179239.db2.gz YORIDFBSOVGMKN-SFHVURJKSA-N -1 0 425.437 2.479 50 0 biogenic IEAARM O=C([O-])CNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1cccc(Br)c1 ZINC000002117588 569182578 /nfs/dbraw/zinc/18/25/78/569182578.db2.gz KLZUOKGSEPQTIW-MKMNVTDBSA-N -1 0 447.241 2.150 50 0 IEAARM CC[C@H](C)[C@H](NC(=O)[C@@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N[C@H](C)C(=O)[O-] ZINC000252536084 569189833 /nfs/dbraw/zinc/18/98/33/569189833.db2.gz HORMGZBYZMQGQC-JNDXVLMTSA-N -1 0 447.557 2.155 50 0 IEAARM O=C([O-])CCC(=O)N(Cc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000002195075 569191408 /nfs/dbraw/zinc/19/14/08/569191408.db2.gz CVDBZLDMVPLQGZ-INIZCTEOSA-N -1 0 442.399 2.080 50 0 IEAARM CSc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2S(N)(=O)=O)cc1Cl ZINC000328594211 569317623 /nfs/dbraw/zinc/31/76/23/569317623.db2.gz ZGECPEZAWAPLBK-UHFFFAOYSA-N -1 0 435.936 2.393 50 0 IEAARM CCOc1cc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)ccc1OCC(=O)N1CCCCC1 ZINC000095432800 569366494 /nfs/dbraw/zinc/36/64/94/569366494.db2.gz AOWALTSXYGDRKD-QGZVFWFLSA-N -1 0 442.520 2.010 50 0 IEAARM CCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2sccc2C(=O)OC)c(OC)c1 ZINC000095447986 569367533 /nfs/dbraw/zinc/36/75/33/569367533.db2.gz MHCUGIPODFKYGB-UHFFFAOYSA-N -1 0 448.544 2.496 50 0 IEAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c(OC)c1 ZINC000095464080 569370516 /nfs/dbraw/zinc/37/05/16/569370516.db2.gz LJZPJIRZLHOQEW-SFHVURJKSA-N -1 0 448.497 2.090 50 0 IEAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(N4CCCC4)ncn3)cc2)n1 ZINC000225536437 569403688 /nfs/dbraw/zinc/40/36/88/569403688.db2.gz NNYWAFGNHGXVHF-UHFFFAOYSA-N -1 0 439.501 2.228 50 0 IEAARM CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)ncn1 ZINC000225531806 569403741 /nfs/dbraw/zinc/40/37/41/569403741.db2.gz UMEBJZTVVYGXEQ-UHFFFAOYSA-N -1 0 428.474 2.335 50 0 IEAARM O=C(c1ccc2c(c1)[n-]c(=S)n(C[C@@H]1CCCO1)c2=O)N1CCC2(CC1)OCCO2 ZINC000002970868 569433409 /nfs/dbraw/zinc/43/34/09/569433409.db2.gz RRIWOWPLNGAAFX-HNNXBMFYSA-N -1 0 431.514 2.217 50 0 IEAARM O=C([O-])c1cn(CCc2ccccc2)cc(C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)c1=O ZINC000670435477 569443795 /nfs/dbraw/zinc/44/37/95/569443795.db2.gz NAIHCKGRFYHONX-UHFFFAOYSA-N -1 0 432.436 2.301 50 0 IEAARM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@H](Cc3nc(-c4cnccn4)no3)C2)ccc1F ZINC000217854609 569454216 /nfs/dbraw/zinc/45/42/16/569454216.db2.gz OQBVXOAAHVWFTP-GFCCVEGCSA-N -1 0 447.448 2.007 50 0 IEAARM CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000008718249 569471265 /nfs/dbraw/zinc/47/12/65/569471265.db2.gz GCCISGKYBFVSHL-MRXNPFEDSA-N -1 0 440.518 2.240 50 0 IEAARM CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCC(C(=O)N[C@@H](C)C(=O)[O-])CC1 ZINC000008791449 569476225 /nfs/dbraw/zinc/47/62/25/569476225.db2.gz OBTZKGKFJMXNSU-ZGRYLRDCSA-N -1 0 441.569 2.438 50 0 IEAARM CCCc1cc(=O)oc2cc(C)cc(OCC(=O)NCC(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)c12 ZINC000008971370 569492735 /nfs/dbraw/zinc/49/27/35/569492735.db2.gz DQPBJOLIGRNDDX-JLCFBVMHSA-N -1 0 446.500 2.164 50 0 IEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc2c(c1)OCO2 ZINC000040309138 569498647 /nfs/dbraw/zinc/49/86/47/569498647.db2.gz ZMBCYVCMEXUSQR-UWJYYQICSA-N -1 0 434.452 2.491 50 0 biogenic IEAARM O=C([O-])c1ccccc1C(=O)N(CCS(=O)(=O)N1CCCCC1)Cc1cccnc1 ZINC000009060986 569499525 /nfs/dbraw/zinc/49/95/25/569499525.db2.gz GYOAMXXPMANYBX-UHFFFAOYSA-N -1 0 431.514 2.238 50 0 IEAARM O=C(NC[C@@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000009203505 569511312 /nfs/dbraw/zinc/51/13/12/569511312.db2.gz OKYQKJFTIGJDBE-HNNXBMFYSA-N -1 0 429.498 2.281 50 0 IEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)C1CCC(Cn2nnc3ccccc3c2=O)CC1 ZINC000009236190 569514166 /nfs/dbraw/zinc/51/41/66/569514166.db2.gz BXOSLHOJVFPWDV-NGICGMGXSA-N -1 0 434.496 2.410 50 0 IEAARM O=C1[N-]C(=O)[C@@H](N(CCN2C(=O)CSC2=O)c2ccc(Br)cc2)S1 ZINC000009338828 569523685 /nfs/dbraw/zinc/52/36/85/569523685.db2.gz SNBNDNIDZZXGRS-LBPRGKRZSA-N -1 0 430.305 2.260 50 0 IEAARM C[C@H](NC(=O)[C@H](Cc1cc(=O)[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000009485596 569539598 /nfs/dbraw/zinc/53/95/98/569539598.db2.gz VEJGHNSSFYPZQT-SGTLLEGYSA-N -1 0 441.871 2.112 50 0 IEAARM CCOc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3nccs3)[n-]c2=O)cc1 ZINC000009518176 569543912 /nfs/dbraw/zinc/54/39/12/569543912.db2.gz FSPGJFPQLYCBIJ-UHFFFAOYSA-N -1 0 446.514 2.190 50 0 IEAARM CC(=O)c1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccco3)c(=O)[n-]2)cc1 ZINC000009518229 569544039 /nfs/dbraw/zinc/54/40/39/569544039.db2.gz HGQGTLUBYHMSRM-UHFFFAOYSA-N -1 0 427.442 2.131 50 0 IEAARM CC(=O)Nc1nc(SCC(=O)Nc2cc(C)on2)[n-]c(=O)c1NC(=O)c1cccs1 ZINC000009518284 569544049 /nfs/dbraw/zinc/54/40/49/569544049.db2.gz JTJBFQWYOGTSMO-UHFFFAOYSA-N -1 0 448.486 2.069 50 0 IEAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1ccc2c(c1)OCCO2 ZINC000009674604 569559135 /nfs/dbraw/zinc/55/91/35/569559135.db2.gz JWZPNJPRPBHIEP-QZTJIDSGSA-N -1 0 441.831 2.043 50 0 IEAARM COc1cc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc(OC)c1 ZINC000009674530 569559157 /nfs/dbraw/zinc/55/91/57/569559157.db2.gz UQWSLXNFMAJWOM-MSOLQXFVSA-N -1 0 443.847 2.289 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4F)c=3c2=O)cc1Cl ZINC000009674947 569559206 /nfs/dbraw/zinc/55/92/06/569559206.db2.gz QFXURLKHFUUAAE-IAGOWNOFSA-N -1 0 431.811 2.420 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(C)ccc4C)c=3c2=O)cc1OC ZINC000009675629 569559312 /nfs/dbraw/zinc/55/93/12/569559312.db2.gz UAQWPEKOMDLDOH-UXHICEINSA-N -1 0 437.456 2.253 50 0 IEAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)cc1 ZINC000010187755 569578714 /nfs/dbraw/zinc/57/87/14/569578714.db2.gz ZJWVHCIVHAHZAE-UHFFFAOYSA-N -1 0 443.456 2.113 50 0 IEAARM CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)cc1 ZINC000010515371 569582665 /nfs/dbraw/zinc/58/26/65/569582665.db2.gz ODGAZQLISDWCHN-UHFFFAOYSA-N -1 0 439.559 2.220 50 0 IEAARM O=S(=O)([N-]CCN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)C(F)(F)F ZINC000003125365 132261808 /nfs/dbraw/zinc/26/18/08/132261808.db2.gz HRGUQRGMUYYRQT-UHFFFAOYSA-N -1 0 440.797 2.315 50 0 IEAARM COc1cc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc(C)ccc4N(C)C3)C2=O)cc(OC)c1OC ZINC000009089990 132302645 /nfs/dbraw/zinc/30/26/45/132302645.db2.gz LTVLCRGFNMEUCZ-QHCPKHFHSA-N -1 0 439.468 2.487 50 0 IEAARM CC(=O)c1cc2c(cc1[N-]S(=O)(=O)c1cc3c(cc1C)N(C(C)=O)CCO3)OCO2 ZINC000009406971 132315890 /nfs/dbraw/zinc/31/58/90/132315890.db2.gz NUAXNDVCVHXYDU-UHFFFAOYSA-N -1 0 432.454 2.472 50 0 IEAARM COc1ccc([C@H]2C/C(=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)NN2)cc1OC ZINC000013572035 132350789 /nfs/dbraw/zinc/35/07/89/132350789.db2.gz OVXRCFVBLWCTJF-QFVIEVDGSA-N -1 0 442.859 2.433 50 0 IEAARM CCOc1cc2[n-]c(=S)n(CCCC(=O)NCC(OC)OC)c(=O)c2cc1OCC ZINC000020644660 520786680 /nfs/dbraw/zinc/78/66/80/520786680.db2.gz QWDKWBKTEWDYQR-UHFFFAOYSA-N -1 0 439.534 2.372 50 0 IEAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1 ZINC000012557008 520862549 /nfs/dbraw/zinc/86/25/49/520862549.db2.gz AQWIEWSWIARLBP-UHFFFAOYSA-N -1 0 435.321 2.296 50 0 IEAARM CCN(CC[NH+](C)C)c1ncc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000035479697 521046322 /nfs/dbraw/zinc/04/63/22/521046322.db2.gz VMAYORSUPVFEFB-UHFFFAOYSA-N -1 0 428.461 2.247 50 0 IEAARM COC(=O)c1cccc(S(=O)(=O)[N-]c2c3ccccc3oc2C(=O)N2CCOCC2)c1 ZINC000024262861 522251874 /nfs/dbraw/zinc/25/18/74/522251874.db2.gz WJJRFFUKAZKUPG-UHFFFAOYSA-N -1 0 444.465 2.493 50 0 IEAARM COc1cc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCC(O)CC2)cc(OC)c1OC ZINC000023157962 522915643 /nfs/dbraw/zinc/91/56/43/522915643.db2.gz BBCUGSBOBISPMI-INIZCTEOSA-N -1 0 434.518 2.377 50 0 IEAARM COc1ccc(-n2c(=O)c([C@H]3c4[nH]c5ccccc5c4CCN3C)c([O-])n(C)c2=O)cc1 ZINC000020757257 523318773 /nfs/dbraw/zinc/31/87/73/523318773.db2.gz RPKDXDNXMALHIN-NRFANRHFSA-N -1 0 432.480 2.309 50 0 biogenic IEAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(N2CCOCC2)nc1 ZINC000012525846 523508472 /nfs/dbraw/zinc/50/84/72/523508472.db2.gz OZHZDYLKZUEHPK-UHFFFAOYSA-N -1 0 428.308 2.490 50 0 IEAARM COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)[N-]c1ccc(N(C)C)cc1 ZINC000012210557 524402667 /nfs/dbraw/zinc/40/26/67/524402667.db2.gz NZUWGYOOVDSZGU-UHFFFAOYSA-N -1 0 439.559 2.492 50 0 IEAARM O=C([O-])c1cc(N2CCN(CC(=O)N3CCCCC3)CC2)ccc1NC(=O)C1CCC1 ZINC000035482709 526348914 /nfs/dbraw/zinc/34/89/14/526348914.db2.gz MHWFADCHWFFROH-UHFFFAOYSA-N -1 0 428.533 2.258 50 0 IEAARM O=C([O-])c1cccc(S(=O)(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)c1 ZINC000035306741 526394460 /nfs/dbraw/zinc/39/44/60/526394460.db2.gz HZGBYXCHMCMYPS-UHFFFAOYSA-N -1 0 436.467 2.257 50 0 IEAARM O=C(NCc1ccco1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000012521048 526780378 /nfs/dbraw/zinc/78/03/78/526780378.db2.gz XBANPVXSUNXXCT-UHFFFAOYSA-N -1 0 427.438 2.341 50 0 IEAARM Cc1ccc(S(=O)(=O)N(C)C)cc1-n1c(=O)c2ccccc2nc1SCC(=O)[O-] ZINC000002651889 555791478 /nfs/dbraw/zinc/79/14/78/555791478.db2.gz SZYQJZPCYGASEX-UHFFFAOYSA-N -1 0 433.511 2.121 50 0 IEAARM Cc1cc(C)nc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)n1 ZINC000002840469 555835039 /nfs/dbraw/zinc/83/50/39/555835039.db2.gz NMLYZNAPKLLSGR-UHFFFAOYSA-N -1 0 430.515 2.415 50 0 IEAARM COc1ccccc1C(=O)N/C(=C/c1ccc(Br)cc1)C(=O)NCC(=O)[O-] ZINC000002956967 555867003 /nfs/dbraw/zinc/86/70/03/555867003.db2.gz AFYZRFLOHJWLLM-XNTDXEJSSA-N -1 0 433.258 2.429 50 0 IEAARM O=C([O-])CN1C[C@@H](c2cccs2)SC[C@H]([NH2+][C@@H](CCc2ccccc2)C(=O)[O-])C1=O ZINC000004099102 555962204 /nfs/dbraw/zinc/96/22/04/555962204.db2.gz KZVWEOXAPZXAFB-BQFCYCMXSA-N -1 0 448.566 2.493 50 0 in-man IEAARM C[C@H](Sc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000005223515 556038400 /nfs/dbraw/zinc/03/84/00/556038400.db2.gz YUCODADOTZLXPI-VIFPVBQESA-N -1 0 442.419 2.066 50 0 IEAARM CCCCN1C[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)CC1=O ZINC000009355829 556284645 /nfs/dbraw/zinc/28/46/45/556284645.db2.gz IUVOWWVBDPSASL-OAHLLOKOSA-N -1 0 431.518 2.173 50 0 IEAARM CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)CCn1[n-]c(=O)ccc1=O ZINC000014246670 556406551 /nfs/dbraw/zinc/40/65/51/556406551.db2.gz HDFSREQWPPAZRN-UHFFFAOYSA-N -1 0 429.480 2.438 50 0 IEAARM C[C@@H](Sc1nc2cc(C(=O)[O-])ccc2c(=O)n1C)C(=O)NC(=O)NCc1ccccc1 ZINC000013019229 556439275 /nfs/dbraw/zinc/43/92/75/556439275.db2.gz RDLNQIVOAWYRBQ-GFCCVEGCSA-N -1 0 440.481 2.138 50 0 IEAARM CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000013171263 556498561 /nfs/dbraw/zinc/49/85/61/556498561.db2.gz DWTJCYJLXLIWAN-GFCCVEGCSA-N -1 0 447.351 2.416 50 0 IEAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)NCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000013236807 556500322 /nfs/dbraw/zinc/50/03/22/556500322.db2.gz FFKQUONCBPVPGK-RTBURBONSA-N -1 0 436.468 2.103 50 0 IEAARM Cc1ccccc1-n1nnnc1SCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000013253750 556500968 /nfs/dbraw/zinc/50/09/68/556500968.db2.gz XJBJWDRTZCJFJH-KRWDZBQOSA-N -1 0 436.497 2.356 50 0 IEAARM Cc1cccc(-n2nnnc2SCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC000013394294 556504115 /nfs/dbraw/zinc/50/41/15/556504115.db2.gz QUOFYOAJNBEHBI-GOSISDBHSA-N -1 0 436.497 2.356 50 0 IEAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnnn1Cc1cccs1 ZINC000013406978 556504767 /nfs/dbraw/zinc/50/47/67/556504767.db2.gz IBQHLVJNENXWJW-MRXNPFEDSA-N -1 0 442.526 2.168 50 0 IEAARM Cc1c(Cl)cccc1NC(=O)[C@@]1(CC(=O)[O-])CC(c2ccccc2OCC(N)=O)=NO1 ZINC000013591754 556529709 /nfs/dbraw/zinc/52/97/09/556529709.db2.gz FCVLTBTWMBIWNC-NRFANRHFSA-N -1 0 445.859 2.489 50 0 IEAARM CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)c(OCC(=O)[O-])c(OC)c1 ZINC000016448121 556608420 /nfs/dbraw/zinc/60/84/20/556608420.db2.gz ZSNQLGOZXUFSBA-CQSZACIVSA-N -1 0 443.250 2.112 50 0 IEAARM COc1cc2c(cc1OC)[C@@H](c1c([O-])[nH]c(=O)n(-c3ccc(Cl)cc3)c1=O)NCC2 ZINC000016996420 556652334 /nfs/dbraw/zinc/65/23/34/556652334.db2.gz BKXXKCNWHLPJKW-SFHVURJKSA-N -1 0 429.860 2.137 50 0 biogenic IEAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cc(-c2ccccc2)nn1[C@H]1CCS(=O)(=O)C1 ZINC000011795937 556657122 /nfs/dbraw/zinc/65/71/22/556657122.db2.gz KLCLQTLAMNDMAT-HNNXBMFYSA-N -1 0 436.515 2.315 50 0 IEAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(-c2ccccc2)nn1[C@H]1CCS(=O)(=O)C1 ZINC000011795935 556657144 /nfs/dbraw/zinc/65/71/44/556657144.db2.gz BNQAYXQMYCWMSW-HNNXBMFYSA-N -1 0 435.531 2.050 50 0 IEAARM Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C4CCC(CC4)[C@@H]3C(=O)[O-])CC2)cc1C ZINC000017099017 556664018 /nfs/dbraw/zinc/66/40/18/556664018.db2.gz FZACPAHLSHTZRZ-TZJYRCSTSA-N -1 0 434.558 2.273 50 0 IEAARM CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])CC2)cc1 ZINC000017099039 556664264 /nfs/dbraw/zinc/66/42/64/556664264.db2.gz DNTFPTIGMFWUIH-RTBURBONSA-N -1 0 434.558 2.484 50 0 IEAARM COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000011978257 556678014 /nfs/dbraw/zinc/67/80/14/556678014.db2.gz UCWWEYUQUYVMPV-UHFFFAOYSA-N -1 0 430.891 2.216 50 0 IEAARM COc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc(I)c1O ZINC000000824582 556689928 /nfs/dbraw/zinc/68/99/28/556689928.db2.gz KAEMEHJBNLPEHH-KPKJPENVSA-N -1 0 436.205 2.467 50 0 IEAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C(=O)[C@H](NC(C)=O)C1CCCC1 ZINC000059368799 556798963 /nfs/dbraw/zinc/79/89/63/556798963.db2.gz YEXORNDMYJAMDM-MRXNPFEDSA-N -1 0 447.351 2.348 50 0 IEAARM COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2-n2cnnn2)ccc1Br ZINC000059851461 556805223 /nfs/dbraw/zinc/80/52/23/556805223.db2.gz METFXHQHWCEVEH-UHFFFAOYSA-N -1 0 438.263 2.012 50 0 IEAARM Cc1oc(-c2n[nH]cc2C(=O)N2CCOCC2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000097940917 556810589 /nfs/dbraw/zinc/81/05/89/556810589.db2.gz BPEVPKAPTTWTDN-UHFFFAOYSA-N -1 0 434.449 2.390 50 0 IEAARM Cn1c([O-])c([C@H]2C(c3ccccc3)=NN=C(c3ccc(Cl)cc3)N2O)c(=O)n(C)c1=O ZINC000096602280 556837863 /nfs/dbraw/zinc/83/78/63/556837863.db2.gz YOUZIKPMNMKFHC-KRWDZBQOSA-N -1 0 439.859 2.040 50 0 IEAARM Cc1c2c(cc(=O)n1CCCN1CCOCC1)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000019645913 556840257 /nfs/dbraw/zinc/84/02/57/556840257.db2.gz QMJQNCDSPCPHQO-UHFFFAOYSA-N -1 0 425.514 2.121 50 0 IEAARM COc1ccc(CN2CCN(S(=O)(=O)c3ccc(CC(=O)[O-])s3)CC2)cc1F ZINC000049592551 557114845 /nfs/dbraw/zinc/11/48/45/557114845.db2.gz NNFYCERYSHKGAA-UHFFFAOYSA-N -1 0 428.507 2.029 50 0 IEAARM COC(=O)c1cc(I)c(C(=O)[O-])c(I)c1 ZINC000095910970 557161392 /nfs/dbraw/zinc/16/13/92/557161392.db2.gz MMPGOFRSNMIXMO-UHFFFAOYSA-N -1 0 431.951 2.381 50 0 IEAARM NC(=N[N+](=O)[O-])NCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000025761541 557224859 /nfs/dbraw/zinc/22/48/59/557224859.db2.gz RXMHIKWOZKQXCJ-GOSISDBHSA-N -1 0 441.444 2.064 50 0 IEAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)NCc4ccc(F)cc4)c=3c2=O)cc1Cl ZINC000101083726 557231822 /nfs/dbraw/zinc/23/18/22/557231822.db2.gz DJMSDSKRHVVLAP-MSOLQXFVSA-N -1 0 429.839 2.397 50 0 IEAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1Cl ZINC000100033096 557238047 /nfs/dbraw/zinc/23/80/47/557238047.db2.gz PGIKYWJVLCQYQP-SJORKVTESA-N -1 0 431.811 2.420 50 0 IEAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3c(F)c(F)cc(F)c3F)c(=O)c1=2)Nc1cccc(F)c1 ZINC000018162360 557244869 /nfs/dbraw/zinc/24/48/69/557244869.db2.gz BODXOKUFFXGOPP-GDBMZVCRSA-N -1 0 439.300 2.314 50 0 IEAARM COc1cc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc(OC)c1 ZINC000101165889 557257800 /nfs/dbraw/zinc/25/78/00/557257800.db2.gz UQWSLXNFMAJWOM-QZTJIDSGSA-N -1 0 443.847 2.289 50 0 IEAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(OC)c(OC)c4)c=3c2=O)cc1 ZINC000101166038 557258001 /nfs/dbraw/zinc/25/80/01/557258001.db2.gz GJYGAUGKTYFJKR-PMACEKPBSA-N -1 0 437.456 2.198 50 0 IEAARM COc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(Cl)c4)c(=O)c2=3)c1 ZINC000101169606 557259273 /nfs/dbraw/zinc/25/92/73/557259273.db2.gz MWEISQKPEYZLKQ-DLBZAZTESA-N -1 0 431.811 2.420 50 0 IEAARM CCOC(=O)c1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3cc(C)cc(C)c3)c(=O)c1=2 ZINC000101352890 557274943 /nfs/dbraw/zinc/27/49/43/557274943.db2.gz XLOVKIKKBWMGFL-UXHICEINSA-N -1 0 449.467 2.412 50 0 IEAARM COc1ccc(Cl)cc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2 ZINC000101388192 557282388 /nfs/dbraw/zinc/28/23/88/557282388.db2.gz VUVKKZUXXQAZDA-IRXDYDNUSA-N -1 0 431.811 2.420 50 0 IEAARM CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C3CCCCC3)c2[O-])C[C@@H]1c1ccc2c(c1)OCO2 ZINC000101455887 557286140 /nfs/dbraw/zinc/28/61/40/557286140.db2.gz ANUKIRZEALZSKO-MRXNPFEDSA-N -1 0 440.456 2.174 50 0 IEAARM COc1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(C4CCCCC4)c3[O-])=NN2C(C)=O)cc1 ZINC000101456271 557286697 /nfs/dbraw/zinc/28/66/97/557286697.db2.gz NAPQZEOLYDDTPE-SFHVURJKSA-N -1 0 426.473 2.454 50 0 IEAARM COc1ccccc1-n1c(=O)[nH]c([O-])c(C2=NN(C(C)=O)[C@H](c3ccc(C)s3)C2)c1=O ZINC000101456039 557286771 /nfs/dbraw/zinc/28/67/71/557286771.db2.gz YJNWETSJINYOJS-HNNXBMFYSA-N -1 0 440.481 2.308 50 0 IEAARM COc1ccccc1[C@@H]1CC(c2c([O-])[nH]c(=O)n(-c3ccccc3C)c2=O)=NN1C(C)=O ZINC000101456784 557287289 /nfs/dbraw/zinc/28/72/89/557287289.db2.gz XPEYCKPOSXJPAQ-SFHVURJKSA-N -1 0 434.452 2.246 50 0 IEAARM COc1ccc(CCN(C(=O)C=CC(=O)[O-])[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000101485701 557287993 /nfs/dbraw/zinc/28/79/93/557287993.db2.gz UAKISVCGHUHSEG-OEIFXAAASA-N -1 0 440.427 2.178 50 0 IEAARM CCOC(=O)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(CC)cc4)c(=O)c2=3)cc1 ZINC000102442364 557325727 /nfs/dbraw/zinc/32/57/27/557325727.db2.gz FBXISWAPYPCUEL-UXHICEINSA-N -1 0 449.467 2.358 50 0 IEAARM COc1ccc(CN(C(=O)C=CC(=O)[O-])[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000102651194 557361634 /nfs/dbraw/zinc/36/16/34/557361634.db2.gz QUBQCBFHFRMCTD-YAINUAMHSA-N -1 0 438.436 2.005 50 0 IEAARM COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1c(=O)nc2ccc(C)cn2c1[O-] ZINC000205956296 557389696 /nfs/dbraw/zinc/38/96/96/557389696.db2.gz WROXBEQDWRFPSI-AWEZNQCLSA-N -1 0 428.441 2.429 50 0 IEAARM COC(=O)C[C@@H](c1cc2c(c(OC)c1)OCO2)c1c(=O)nc2ccc(Cl)cn2c1[O-] ZINC000205962940 557396162 /nfs/dbraw/zinc/39/61/62/557396162.db2.gz YEXMSQZUIMHVTC-LBPRGKRZSA-N -1 0 432.816 2.486 50 0 IEAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(F)c3)c(=O)c1=2)NC12CC3CC(CC(C3)C1)C2 ZINC000102982091 557414773 /nfs/dbraw/zinc/41/47/73/557414773.db2.gz RSKHFIQGQRMHLL-LKTSBXNISA-N -1 0 425.464 2.204 50 0 IEAARM CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCCC[C@H]2C(=O)[O-])ccc1OC ZINC000225483161 557728269 /nfs/dbraw/zinc/72/82/69/557728269.db2.gz DTIXMFIRJXEXCQ-HZPDHXFCSA-N -1 0 426.535 2.489 50 0 IEAARM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)Cn1cc(Br)ccc1=O ZINC000238120974 557840967 /nfs/dbraw/zinc/84/09/67/557840967.db2.gz HSEDZKDYMNKUKX-UHFFFAOYSA-N -1 0 429.217 2.393 50 0 IEAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3COc4ccccc4O3)cc2)n1 ZINC000006156083 562946336 /nfs/dbraw/zinc/94/63/36/562946336.db2.gz SKPKBMGEDUGATK-GOSISDBHSA-N -1 0 426.454 2.364 50 0 IEAARM O=C(OCc1ccccc1)c1[n-][nH]c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000009191664 562968076 /nfs/dbraw/zinc/96/80/76/562968076.db2.gz IXCBXTHFNJSSIN-GJZGRUSLSA-N -1 0 428.242 2.010 50 0 IEAARM COc1ccc(CCNC(=O)CSC2=Nc3ccccc3S(=O)(=O)[N-]2)cc1OC ZINC000009530220 562973051 /nfs/dbraw/zinc/97/30/51/562973051.db2.gz JSEURUUOGZVIDG-UHFFFAOYSA-N -1 0 435.527 2.266 50 0 IEAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3C(=O)[O-])c(=O)n2[C@@H]1c1ccccc1 ZINC000003768546 568754477 /nfs/dbraw/zinc/75/44/77/568754477.db2.gz SNMJAWMFIGXXHC-MTGKDYNDSA-N -1 0 448.500 2.497 50 0 IEAARM COc1ccc(CNS(=O)(=O)c2ccc(C[C@H]3SC(=O)[N-]C3=O)cc2)cc1OC ZINC000001395210 568786001 /nfs/dbraw/zinc/78/60/01/568786001.db2.gz LQSAHGZLGVXBKB-QGZVFWFLSA-N -1 0 436.511 2.076 50 0 IEAARM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cn(C)c(=O)n(C)c4=O)cc3)sc2c1 ZINC000009489599 568883614 /nfs/dbraw/zinc/88/36/14/568883614.db2.gz BGZVLJYXUNNOKR-UHFFFAOYSA-N -1 0 442.522 2.470 50 0 IEAARM COc1ccc(OC)c([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2cccnc2)c1 ZINC000245245169 568913312 /nfs/dbraw/zinc/91/33/12/568913312.db2.gz BDPLDTAWXWEASQ-RVKKMQEKSA-N -1 0 425.363 2.203 50 0 IEAARM CS(=O)(=O)[N-]c1nnc(NC(=O)c2cn(-c3ccc(Br)cc3)cn2)s1 ZINC000089490006 568926793 /nfs/dbraw/zinc/92/67/93/568926793.db2.gz VCMDRHYBZFAQCB-UHFFFAOYSA-N -1 0 443.308 2.110 50 0 IEAARM Cc1c(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnco3)c2)cnn1-c1ccc(F)cc1 ZINC000089544898 568936907 /nfs/dbraw/zinc/93/69/07/568936907.db2.gz PMYYJEOBTRTXGY-UHFFFAOYSA-N -1 0 427.417 2.489 50 0 IEAARM CCc1nc(Cn2c3ccc(S(=O)(=O)[N-]c4ccccc4OC)cc3oc2=O)no1 ZINC000064947147 568995179 /nfs/dbraw/zinc/99/51/79/568995179.db2.gz WINGMSLZVPLLHR-UHFFFAOYSA-N -1 0 430.442 2.398 50 0 IEAARM COc1cc([N-]S(=O)(=O)c2cc3c(cc2Cl)n(C)c(=O)n3C)cc(OC)c1OC ZINC000064976618 569077136 /nfs/dbraw/zinc/07/71/36/569077136.db2.gz BHJGCEFHZGBPPS-UHFFFAOYSA-N -1 0 441.893 2.357 50 0 IEAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000036569387 569118654 /nfs/dbraw/zinc/11/86/54/569118654.db2.gz XSPQLZPYCKMAFO-LJQANCHMSA-N -1 0 434.489 2.039 50 0 IEAARM CC(C)[C@H](C(=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C1=O)[C@@H]1[C@@H]3Sc2[nH]c(=O)sc2C1(C)C ZINC000238950520 569138101 /nfs/dbraw/zinc/13/81/01/569138101.db2.gz YMLJWSIWMJJMGD-JXMPTKIVSA-N -1 0 436.555 2.165 50 0 IEAARM CCCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000170591077 569140887 /nfs/dbraw/zinc/14/08/87/569140887.db2.gz LUVREXOXNYIHEP-UHFFFAOYSA-N -1 0 428.488 2.346 50 0 IEAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000013940298 569157435 /nfs/dbraw/zinc/15/74/35/569157435.db2.gz HQWSFANIJGJSAI-LVSKKATPSA-N -1 0 448.500 2.497 50 0 IEAARM O=c1[nH]c2cc(Br)c(S(=O)(=O)[N-]c3ccccc3-c3nc[nH]n3)cc2[nH]1 ZINC000089821227 569165183 /nfs/dbraw/zinc/16/51/83/569165183.db2.gz RSIQSKFFAXXYJX-UHFFFAOYSA-N -1 0 435.263 2.205 50 0 IEAARM CCCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)NCCc1ncc(CC)s1 ZINC000089960383 569169009 /nfs/dbraw/zinc/16/90/09/569169009.db2.gz OCTGEZOXATZVDY-UHFFFAOYSA-N -1 0 447.604 2.387 50 0 IEAARM CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000002138353 569185392 /nfs/dbraw/zinc/18/53/92/569185392.db2.gz XMYXETUGOQCYNJ-PMACEKPBSA-N -1 0 448.479 2.180 50 0 biogenic IEAARM CC[C@H](C)[C@H](NC(=O)[C@@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N[C@H](C)C(=O)[O-] ZINC000252536086 569189926 /nfs/dbraw/zinc/18/99/26/569189926.db2.gz HORMGZBYZMQGQC-MVYFJVCESA-N -1 0 447.557 2.155 50 0 IEAARM CC[C@H](C)[C@H](NC(=O)[C@@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N[C@@H](C)C(=O)[O-] ZINC000252536085 569189930 /nfs/dbraw/zinc/18/99/30/569189930.db2.gz HORMGZBYZMQGQC-KXCQAQIVSA-N -1 0 447.557 2.155 50 0 IEAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)NCC(OC)OC)c3=O)c2c1 ZINC000020331443 569360918 /nfs/dbraw/zinc/36/09/18/569360918.db2.gz FXSOOGXEMQIYIQ-UHFFFAOYSA-N -1 0 434.518 2.454 50 0 IEAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)N4CCN(C)CC4)c3=O)c2c1 ZINC000020331576 569361023 /nfs/dbraw/zinc/36/10/23/569361023.db2.gz AKHVMSXIRXGHKH-UHFFFAOYSA-N -1 0 429.546 2.493 50 0 IEAARM O=C([O-])COc1cccc(CNC(=O)c2cn(-c3cccc(Br)c3)nn2)c1 ZINC000095425474 569365965 /nfs/dbraw/zinc/36/59/65/569365965.db2.gz ANGSFHAPRSWJLI-UHFFFAOYSA-N -1 0 431.246 2.423 50 0 IEAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cn(Cc3cccc(F)c3)nn2)cc1OC ZINC000095463843 569370440 /nfs/dbraw/zinc/37/04/40/569370440.db2.gz HZMXAKWIMJYDJB-MRXNPFEDSA-N -1 0 428.420 2.429 50 0 IEAARM CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@H](c2cccc(O)c2)C1 ZINC000095532130 569374637 /nfs/dbraw/zinc/37/46/37/569374637.db2.gz OAXYYJYPJOWRSN-SFHVURJKSA-N -1 0 431.470 2.306 50 0 IEAARM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccccc3S(=O)(=O)NC(C)(C)C)cc12 ZINC000095956591 569376813 /nfs/dbraw/zinc/37/68/13/569376813.db2.gz XNFFTADRSIHDEX-UHFFFAOYSA-N -1 0 437.547 2.154 50 0 IEAARM Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2ccccc2OCC(=O)[O-])C(C)C)cc1 ZINC000095970650 569377402 /nfs/dbraw/zinc/37/74/02/569377402.db2.gz KPEFVHWAGHSPEP-FQEVSTJZSA-N -1 0 434.514 2.078 50 0 IEAARM O=c1n(CC[N-]S(=O)(=O)c2c(F)cccc2F)nc(-c2cccs2)n1C1CC1 ZINC000096096685 569381280 /nfs/dbraw/zinc/38/12/80/569381280.db2.gz VGARBWJBBFCELK-UHFFFAOYSA-N -1 0 426.470 2.365 50 0 IEAARM COC1CCN(c2ccc(NC(=O)C[N-]S(=O)(=O)c3c(F)cccc3F)cc2)CC1 ZINC000096104474 569382241 /nfs/dbraw/zinc/38/22/41/569382241.db2.gz ZGKUIFGRPZIHLH-UHFFFAOYSA-N -1 0 439.484 2.497 50 0 IEAARM COc1ccc(CNC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(C)cc2)c(OC)c1 ZINC000096361248 569397720 /nfs/dbraw/zinc/39/77/20/569397720.db2.gz GISBTYCHVSHFQT-UHFFFAOYSA-N -1 0 430.486 2.466 50 0 IEAARM Cc1ccc(N2CCN(C(=O)c3snc4c3nc([O-])n(C3CC3)c4=O)CC2)c(C)c1 ZINC000096396712 569399062 /nfs/dbraw/zinc/39/90/62/569399062.db2.gz KFLZCQJAFRAKTQ-UHFFFAOYSA-N -1 0 425.514 2.473 50 0 IEAARM CCOc1cc(C=NNC(=O)CN2CCOCC2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000008437655 569464338 /nfs/dbraw/zinc/46/43/38/569464338.db2.gz RIALUWXWJHHGOR-UHFFFAOYSA-N -1 0 441.484 2.145 50 0 IEAARM COc1ccc(S(=O)(=O)[N-]c2cc(N3CCCS3(=O)=O)ccc2OC)c(OC)c1 ZINC000008768514 569474981 /nfs/dbraw/zinc/47/49/81/569474981.db2.gz XKKJSUIUFWTXED-UHFFFAOYSA-N -1 0 442.515 2.053 50 0 IEAARM CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)N1CCn2c3ccccc3nc21)C(=O)[O-] ZINC000008792094 569476312 /nfs/dbraw/zinc/47/63/12/569476312.db2.gz NWUYEHNODHAUEA-CVEARBPZSA-N -1 0 447.561 2.303 50 0 biogenic IEAARM CCS(=O)(=O)N1CCc2ccc([N-]S(=O)(=O)c3cc(OC)ccc3OC)cc2C1 ZINC000008840335 569478313 /nfs/dbraw/zinc/47/83/13/569478313.db2.gz QJFNFKYFDKEQRP-UHFFFAOYSA-N -1 0 440.543 2.212 50 0 IEAARM COc1cc(OC)nc([N-]S(=O)(=O)c2ccc(N3C(=O)C4=C(CCCC4)C3=O)cc2)n1 ZINC000008916217 569485774 /nfs/dbraw/zinc/48/57/74/569485774.db2.gz VRMHTNBXALCPQS-UHFFFAOYSA-N -1 0 444.469 2.038 50 0 IEAARM O=C([O-])CNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1Br ZINC000009057042 569499136 /nfs/dbraw/zinc/49/91/36/569499136.db2.gz OGIGGBPLNQCSKI-AUWJEWJLSA-N -1 0 447.241 2.150 50 0 IEAARM Cc1cccc(C(=O)NCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c1 ZINC000009262912 569517090 /nfs/dbraw/zinc/51/70/90/569517090.db2.gz OFIRTFIZRGRBJS-UHFFFAOYSA-N -1 0 439.497 2.344 50 0 IEAARM COc1cccc(-n2c(=O)c([C@@H]3NCCc4cc(OC)c(OC)cc43)c([O-])[nH]c2=S)c1 ZINC000009359553 569525707 /nfs/dbraw/zinc/52/57/07/569525707.db2.gz QXOOLLDZRIVZJF-LJQANCHMSA-N -1 0 441.509 2.488 50 0 IEAARM NC(=O)c1nc(-c2cc(Br)ccc2[O-])nc2c1[nH]c(=O)n2-c1ccccc1 ZINC000009407949 569530408 /nfs/dbraw/zinc/53/04/08/569530408.db2.gz UAKHIGFNROCLBS-UHFFFAOYSA-N -1 0 426.230 2.343 50 0 IEAARM Nc1nc(SCC(=O)Nc2ccc3c(c2)OCO3)[n-]c(=O)c1NC(=O)c1ccccc1 ZINC000009518029 569543852 /nfs/dbraw/zinc/54/38/52/569543852.db2.gz WZZRCKPUGXQVNI-UHFFFAOYSA-N -1 0 439.453 2.064 50 0 IEAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(-n2cccn2)nn1 ZINC000070641176 569549089 /nfs/dbraw/zinc/54/90/89/569549089.db2.gz GURRHZUJFNODKL-UHFFFAOYSA-N -1 0 427.471 2.172 50 0 IEAARM CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000009634791 569554506 /nfs/dbraw/zinc/55/45/06/569554506.db2.gz SZGAILVUSXZRPU-UHFFFAOYSA-N -1 0 425.532 2.339 50 0 IEAARM COC(=O)CCNc1nc2cc3c(cc2nc1[N-]S(=O)(=O)c1ccccc1)OCCO3 ZINC000009646906 569556368 /nfs/dbraw/zinc/55/63/68/569556368.db2.gz LKWMXEKXYSOPIQ-UHFFFAOYSA-N -1 0 444.469 2.177 50 0 IEAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Br)cc3)c(=O)c1=2)Nc1ccccc1 ZINC000009674651 569559241 /nfs/dbraw/zinc/55/92/41/569559241.db2.gz XZDGVDMXIMBFSD-CVEARBPZSA-N -1 0 428.246 2.381 50 0 IEAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)NCc4ccc(F)cc4)c=3c2=O)cc1Cl ZINC000009748706 569565922 /nfs/dbraw/zinc/56/59/22/569565922.db2.gz DJMSDSKRHVVLAP-ZWKOTPCHSA-N -1 0 429.839 2.397 50 0 IEAARM CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])ccc1Cl ZINC000009877484 569572704 /nfs/dbraw/zinc/57/27/04/569572704.db2.gz KKHXMOQOAONJNP-KRWDZBQOSA-N -1 0 449.916 2.497 50 0 IEAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2cccn(Cc3cccc(F)c3)c2=O)cc1 ZINC000010187751 569578676 /nfs/dbraw/zinc/57/86/76/569578676.db2.gz UOTZKEZLIWULIT-UHFFFAOYSA-N -1 0 443.456 2.113 50 0 IEAARM COc1cccc(N2CCN(C(=O)C[C@@H]3N=C4c5ccccc5[N-]C(=S)N4C3=O)CC2)c1 ZINC000002966988 132259768 /nfs/dbraw/zinc/25/97/68/132259768.db2.gz SADVTEVZXAZKQS-IBGZPJMESA-N -1 0 449.536 2.102 50 0 IEAARM CCOC(=O)COc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CC2)ccc1OC ZINC000012413393 520800438 /nfs/dbraw/zinc/80/04/38/520800438.db2.gz QMPBOAOQGFJBBC-UHFFFAOYSA-N -1 0 448.497 2.330 50 0 IEAARM CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)C)c2)cc1 ZINC000022514430 520807133 /nfs/dbraw/zinc/80/71/33/520807133.db2.gz LXYRTMZAADBJHP-UHFFFAOYSA-N -1 0 439.559 2.220 50 0 IEAARM CCOc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(OCC)cc4)c(=O)c2=3)cc1 ZINC000018189938 521061355 /nfs/dbraw/zinc/06/13/55/521061355.db2.gz QYEGCUUQMCNPED-UXHICEINSA-N -1 0 437.456 2.416 50 0 IEAARM CCOc1ccc([C@@H](c2sc3nc(CC)nn3c2[O-])N2CCN(CCO)CC2)cc1 ZINC000022854620 521234582 /nfs/dbraw/zinc/23/45/82/521234582.db2.gz VFIBWGWBBNFBEJ-SFHVURJKSA-N -1 0 431.562 2.157 50 0 IEAARM COC(=O)c1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000012630250 521796284 /nfs/dbraw/zinc/79/62/84/521796284.db2.gz DTWMQDNEYKTALQ-UHFFFAOYSA-N -1 0 448.316 2.440 50 0 IEAARM COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000020495681 521900833 /nfs/dbraw/zinc/90/08/33/521900833.db2.gz ADRRELHNTIICJO-UHFFFAOYSA-N -1 0 434.470 2.418 50 0 IEAARM CC[C@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1)C(=O)[O-] ZINC000012864138 521957958 /nfs/dbraw/zinc/95/79/58/521957958.db2.gz YDEOZOCNAWLVML-XIRDDKMYSA-N -1 0 441.569 2.390 50 0 biogenic IEAARM CC[C@@H](C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000252695008 522380555 /nfs/dbraw/zinc/38/05/55/522380555.db2.gz SZPHHKGIDOFWOT-JJTUDDRGSA-N -1 0 441.569 2.438 50 0 biogenic IEAARM COc1ccc(-n2c(=O)c([C@@H]3c4[nH]c5ccccc5c4CCN3C)c([O-])n(C)c2=O)cc1 ZINC000020757263 523319584 /nfs/dbraw/zinc/31/95/84/523319584.db2.gz RPKDXDNXMALHIN-OAQYLSRUSA-N -1 0 432.480 2.309 50 0 biogenic IEAARM COc1cccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)c1 ZINC000020945411 524158650 /nfs/dbraw/zinc/15/86/50/524158650.db2.gz ISHFXQCHRQHBNY-DJJJIMSYSA-N -1 0 432.498 2.487 50 0 IEAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000021185192 524345888 /nfs/dbraw/zinc/34/58/88/524345888.db2.gz PBQPHWFEBXTZRA-UHFFFAOYSA-N -1 0 439.468 2.439 50 0 IEAARM COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cn1 ZINC000012526251 524647354 /nfs/dbraw/zinc/64/73/54/524647354.db2.gz UASHIVCTCFHUDA-UHFFFAOYSA-N -1 0 439.453 2.313 50 0 IEAARM COc1ccccc1[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(C)=O ZINC000020945391 524729824 /nfs/dbraw/zinc/72/98/24/524729824.db2.gz MEYZQLZFZCRMPT-SCLBCKFNSA-N -1 0 432.498 2.487 50 0 IEAARM C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)C(=O)[O-] ZINC000012794432 525070921 /nfs/dbraw/zinc/07/09/21/525070921.db2.gz BSBLECUIYOTRTL-SECBINFHSA-N -1 0 442.843 2.349 50 0 IEAARM COc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@H](C)O3)cc1 ZINC000015936713 525346722 /nfs/dbraw/zinc/34/67/22/525346722.db2.gz ZJHHICKHXXLJFY-UGSOOPFHSA-N -1 0 448.497 2.323 50 0 IEAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)cc2)n1 ZINC000021351575 525698738 /nfs/dbraw/zinc/69/87/38/525698738.db2.gz CQDZOIGKEZGJDS-HNNXBMFYSA-N -1 0 443.529 2.315 50 0 IEAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc4c(c3)OCCO4)c(=O)c1=2)Nc1ccccc1Cl ZINC000022765771 526823764 /nfs/dbraw/zinc/82/37/64/526823764.db2.gz XSOZGOLLDNCZCO-QZTJIDSGSA-N -1 0 441.831 2.043 50 0 IEAARM 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CCOC(=O)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1 ZINC000101167445 557258344 /nfs/dbraw/zinc/25/83/44/557258344.db2.gz QALZFLJOSNPDHL-RBUKOAKNSA-N -1 0 435.440 2.104 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(F)c4)c=3c2=O)cc1Cl ZINC000101168827 557258935 /nfs/dbraw/zinc/25/89/35/557258935.db2.gz NJPSNMPAABTJEO-IRXDYDNUSA-N -1 0 431.811 2.420 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4F)c=3c2=O)cc1Cl ZINC000101168812 557258950 /nfs/dbraw/zinc/25/89/50/557258950.db2.gz QFXURLKHFUUAAE-IRXDYDNUSA-N -1 0 431.811 2.420 50 0 IEAARM CCOc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1 ZINC000101169088 557259232 /nfs/dbraw/zinc/25/92/32/557259232.db2.gz CMKAPXBCMPNDGP-ZWKOTPCHSA-N -1 0 429.383 2.295 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Cl)cc4)c=3c2=O)cc1OC ZINC000101169797 557259405 /nfs/dbraw/zinc/25/94/05/557259405.db2.gz QXTDQFHPEQLLPL-ROUUACIJSA-N -1 0 443.847 2.289 50 0 IEAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Br)cc3)c(=O)c1=2)Nc1ccccc1 ZINC000101174242 557260646 /nfs/dbraw/zinc/26/06/46/557260646.db2.gz XZDGVDMXIMBFSD-HOTGVXAUSA-N -1 0 428.246 2.381 50 0 IEAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc4c(c3)OCCO4)c(=O)c1=2)Nc1ccccc1Cl ZINC000101352910 557275106 /nfs/dbraw/zinc/27/51/06/557275106.db2.gz XSOZGOLLDNCZCO-ROUUACIJSA-N -1 0 441.831 2.043 50 0 IEAARM CCOC(=O)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)cc1 ZINC000101389495 557282647 /nfs/dbraw/zinc/28/26/47/557282647.db2.gz NMBSPNKPRFSHMZ-VQTJNVASSA-N -1 0 449.467 2.412 50 0 IEAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c(OC)c1 ZINC000101416233 557284689 /nfs/dbraw/zinc/28/46/89/557284689.db2.gz DWWRNJUUMBJLQP-ROUUACIJSA-N -1 0 443.847 2.289 50 0 IEAARM COc1cc([C@H]2CC(c3c(=O)[nH]c(=O)n(C4CCCCC4)c3[O-])=NN2)cc(OC)c1OC ZINC000101762095 557297131 /nfs/dbraw/zinc/29/71/31/557297131.db2.gz NSZHMVXWMRNMHM-CQSZACIVSA-N -1 0 444.488 2.212 50 0 IEAARM COc1ccc(OC)c([C@@H]2CC(c3c([O-])[nH]c(=O)n(-c4ccc(Cl)cc4)c3=O)=NN2)c1 ZINC000101762633 557297516 /nfs/dbraw/zinc/29/75/16/557297516.db2.gz ILHFWWGOYQSNRT-HNNXBMFYSA-N -1 0 442.859 2.341 50 0 IEAARM COc1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(-c4cccc(Cl)c4)c3=O)=NN2)c(OC)c1 ZINC000101763115 557297524 /nfs/dbraw/zinc/29/75/24/557297524.db2.gz HJGSTTXZBLQOMJ-OAHLLOKOSA-N -1 0 442.859 2.341 50 0 IEAARM COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1c(=O)nc2ccc(C)cn2c1[O-] ZINC000205956313 557389802 /nfs/dbraw/zinc/38/98/02/557389802.db2.gz WROXBEQDWRFPSI-CQSZACIVSA-N -1 0 428.441 2.429 50 0 IEAARM COc1ccc(N2C(=O)[N-]C(=O)C(=C(NCCc3c[nH]cn3)c3ccc(F)cc3)C2=O)cc1 ZINC000025183291 557529029 /nfs/dbraw/zinc/52/90/29/557529029.db2.gz VHFCVXAZBKQNQZ-FMQUCBEESA-N -1 0 449.442 2.384 50 0 IEAARM O=C([O-])c1cc(N2CCN(CC(=O)N3CCCCCC3)CC2)ccc1NC(=O)C1CC1 ZINC000045967790 557557602 /nfs/dbraw/zinc/55/76/02/557557602.db2.gz GYSMWTOKUBWUDV-UHFFFAOYSA-N -1 0 428.533 2.258 50 0 IEAARM COC(=O)N1CCN(c2ccncc2[N-]S(=O)(=O)c2c(C)cc(C)cc2OC)CC1 ZINC000225391918 557717746 /nfs/dbraw/zinc/71/77/46/557717746.db2.gz HPFGWNOCHMEYNH-UHFFFAOYSA-N -1 0 434.518 2.396 50 0 IEAARM CCOC(=O)c1sc([N-][C@@](NC(=O)c2ccco2)(C(=O)OC)C(F)(F)F)nc1C ZINC000003629128 562936980 /nfs/dbraw/zinc/93/69/80/562936980.db2.gz IMCCMMZLBVWHAK-HNNXBMFYSA-N -1 0 435.380 2.495 50 0 IEAARM CCOC(=O)[C@@H](CC)Sc1nc(N)c(NC(=O)c2ccc(OC)c(OC)c2)c(=O)[n-]1 ZINC000008584036 562949944 /nfs/dbraw/zinc/94/99/44/562949944.db2.gz KKPDZSCCTNYEDQ-CYBMUJFWSA-N -1 0 436.490 2.055 50 0 IEAARM CCOC(=O)Cc1nnc(NC(=O)C[C@H]([N-]C(=O)C(F)(F)F)c2ccccc2)s1 ZINC000003622709 568751553 /nfs/dbraw/zinc/75/15/53/568751553.db2.gz QJCXCEAQKATGOA-NSHDSACASA-N -1 0 430.408 2.392 50 0 IEAARM CCn1cc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(OC)ncn3)cc2)n1 ZINC000002762983 568789112 /nfs/dbraw/zinc/78/91/12/568789112.db2.gz XGQUSCJKARGUNO-UHFFFAOYSA-N -1 0 436.881 2.408 50 0 IEAARM COc1ccc(N2CCCS2(=O)=O)cc1[N-]S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000015780562 568825358 /nfs/dbraw/zinc/82/53/58/568825358.db2.gz CQUZEXAFXKMENR-UHFFFAOYSA-N -1 0 442.515 2.053 50 0 IEAARM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(N(C)C)o3)cc2)cc1 ZINC000089274592 568910076 /nfs/dbraw/zinc/91/00/76/568910076.db2.gz PMLJHYYWDMVRPI-UHFFFAOYSA-N -1 0 436.515 2.397 50 0 IEAARM CC(C)CNC(=O)CN1CCN(c2ccc(NC(=O)C3CCCC3)c(C(=O)[O-])c2)CC1 ZINC000064590475 568934969 /nfs/dbraw/zinc/93/49/69/568934969.db2.gz MYFXFHUZDYHAJA-UHFFFAOYSA-N -1 0 430.549 2.408 50 0 IEAARM CCNc1c2ccccc2oc(=O)c1[N-]S(=O)(=O)c1c(C)nc2sccn2c1=O ZINC000016681923 568937837 /nfs/dbraw/zinc/93/78/37/568937837.db2.gz MGCTWCREMGHOAP-UHFFFAOYSA-N -1 0 432.483 2.403 50 0 IEAARM O=C([O-])C1CCN(C(=O)CCCCCNC(=O)N2CCn3c4ccccc4nc32)CC1 ZINC000006662144 568944922 /nfs/dbraw/zinc/94/49/22/568944922.db2.gz FGKHMNLJZLLVDS-UHFFFAOYSA-N -1 0 427.505 2.450 50 0 IEAARM O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(CCc3ccncc3)CC2)c2ccc(F)cc21 ZINC000036352986 569083886 /nfs/dbraw/zinc/08/38/86/569083886.db2.gz SNEKWIFLXZASHP-QFIPXVFZSA-N -1 0 440.475 2.246 50 0 IEAARM O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(Cc3ccncc3)CC2)c2ccc(F)cc21 ZINC000036354600 569084195 /nfs/dbraw/zinc/08/41/95/569084195.db2.gz ABDRGHRKYLTQFE-NRFANRHFSA-N -1 0 426.448 2.204 50 0 IEAARM Cc1ccccc1[N-]S(=O)(=O)c1cc(-c2noc(C(=O)N3CCOCC3)n2)cs1 ZINC000065097530 569103815 /nfs/dbraw/zinc/10/38/15/569103815.db2.gz ADLGOVSKTUWJBF-UHFFFAOYSA-N -1 0 434.499 2.380 50 0 IEAARM CSc1ncc(C(=O)[N-]S(=O)(=O)N2CCOc3ccccc32)n1-c1ccccc1 ZINC000065568045 569139872 /nfs/dbraw/zinc/13/98/72/569139872.db2.gz LWUFDCVMIYSTSQ-UHFFFAOYSA-N -1 0 430.511 2.468 50 0 IEAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCC(C(N)=O)CC2)c(Cl)n1 ZINC000170597600 569142298 /nfs/dbraw/zinc/14/22/98/569142298.db2.gz UFCBFHKVSJWJOW-UHFFFAOYSA-N -1 0 436.921 2.182 50 0 IEAARM Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c(C)c3cc2c1C ZINC000002108978 569181794 /nfs/dbraw/zinc/18/17/94/569181794.db2.gz IDWOUQWBYRONHF-STQMWFEESA-N -1 0 442.468 2.491 50 0 biogenic IEAARM Cc1coc2c1cc1c(C)c(CC(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-])c(=O)oc1c2C ZINC000002155003 569187451 /nfs/dbraw/zinc/18/74/51/569187451.db2.gz WECPSRWFLYCZDL-INIZCTEOSA-N -1 0 443.456 2.025 50 0 biogenic IEAARM O=C(Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1)N1CCN(CC(F)F)CC1 ZINC000079015078 569321966 /nfs/dbraw/zinc/32/19/66/569321966.db2.gz RCESLPFFMLYNST-UHFFFAOYSA-N -1 0 431.490 2.359 50 0 IEAARM Cc1csc2nc(C)c(S(=O)(=O)[N-]c3ccc(CN4CCOCC4)cc3)c(=O)n12 ZINC000020178117 569354628 /nfs/dbraw/zinc/35/46/28/569354628.db2.gz QZYMQKNOYXANNK-UHFFFAOYSA-N -1 0 434.543 2.006 50 0 IEAARM Cc1cccc(C[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)[O-])c1 ZINC000095425412 569365984 /nfs/dbraw/zinc/36/59/84/569365984.db2.gz GMPXYIQKDGJGOQ-QGZVFWFLSA-N -1 0 427.457 2.413 50 0 IEAARM COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3nncs3)cc2)cc1C ZINC000095447937 569367495 /nfs/dbraw/zinc/36/74/95/569367495.db2.gz KSJOMWHLDHNJFY-UHFFFAOYSA-N -1 0 440.528 2.457 50 0 IEAARM CC(C)(C)c1ncsc1C(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000095463908 569370390 /nfs/dbraw/zinc/37/03/90/569370390.db2.gz OVSHSKQVCKKYES-UHFFFAOYSA-N -1 0 437.543 2.286 50 0 IEAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1ccc2c(c1)OCO2 ZINC000095481495 569374058 /nfs/dbraw/zinc/37/40/58/569374058.db2.gz SHSNGYSNCAQDKC-IRXDYDNUSA-N -1 0 427.804 2.001 50 0 IEAARM CCN(CCC(=O)[O-])C(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000095969830 569377323 /nfs/dbraw/zinc/37/73/23/569377323.db2.gz QPRBJZAILTXYMN-UHFFFAOYSA-N -1 0 432.498 2.305 50 0 IEAARM O=C([O-])CC1(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)CCOCC1 ZINC000095970213 569377333 /nfs/dbraw/zinc/37/73/33/569377333.db2.gz OJCTZCADWWKIPJ-UHFFFAOYSA-N -1 0 436.461 2.380 50 0 IEAARM O=C([O-])C1CCN(C(=O)c2ccc(NC(=O)CCNC(=O)Cc3ccccc3)cc2)CC1 ZINC000095970752 569377472 /nfs/dbraw/zinc/37/74/72/569377472.db2.gz QOQYKHLJKYPZDL-UHFFFAOYSA-N -1 0 437.496 2.311 50 0 IEAARM Cn1cc(S(=O)(=O)[N-]c2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CCC3)cn1 ZINC000096098358 569381493 /nfs/dbraw/zinc/38/14/93/569381493.db2.gz IZZAKWONJNLKLY-UHFFFAOYSA-N -1 0 432.527 2.362 50 0 IEAARM O=C(c1c[nH]nc1-c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)o1)N1CCOCC1 ZINC000096400237 569400404 /nfs/dbraw/zinc/40/04/04/569400404.db2.gz OFWINVRGDGMZCS-UHFFFAOYSA-N -1 0 438.412 2.221 50 0 IEAARM COc1ccc(-c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)c2ccc(OC)nc2)CC4)cc1 ZINC000097161303 569403102 /nfs/dbraw/zinc/40/31/02/569403102.db2.gz BJPRKFYRSOGSQF-UHFFFAOYSA-N -1 0 431.452 2.300 50 0 IEAARM O=C(c1ccc2c(c1)[n-]c(=S)n(C[C@H]1CCCO1)c2=O)N1CCC2(CC1)OCCO2 ZINC000002970866 569433382 /nfs/dbraw/zinc/43/33/82/569433382.db2.gz RRIWOWPLNGAAFX-OAHLLOKOSA-N -1 0 431.514 2.217 50 0 IEAARM Cc1c(NC(=O)[C@H](C)n2nc(C(=O)[O-])c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C ZINC000003252479 569442984 /nfs/dbraw/zinc/44/29/84/569442984.db2.gz IFFLKKVKDUXQLJ-AWEZNQCLSA-N -1 0 447.451 2.092 50 0 IEAARM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@@H](Cc3nc(-c4cnccn4)no3)C2)ccc1F ZINC000217854688 569454198 /nfs/dbraw/zinc/45/41/98/569454198.db2.gz OQBVXOAAHVWFTP-LBPRGKRZSA-N -1 0 447.448 2.007 50 0 IEAARM O=C([O-])/C=C/C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])[NH+]3CCN(c4ccccn4)CC3)c2c1 ZINC000031819847 569458040 /nfs/dbraw/zinc/45/80/40/569458040.db2.gz CUYCLVBISWHGTR-WMWRJIBUSA-N -1 0 449.467 2.090 50 0 IEAARM COc1ccc(S(=O)(=O)N2CCN([C@H](C(=O)[O-])c3c[nH]c4ccccc43)CC2)cc1 ZINC000032090232 569459524 /nfs/dbraw/zinc/45/95/24/569459524.db2.gz XOCLVZCXEYEQFY-FQEVSTJZSA-N -1 0 429.498 2.309 50 0 IEAARM NC(=O)c1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4ccccc4N4CCCCC[C@H]43)C2=O)cc1 ZINC000008694638 569470108 /nfs/dbraw/zinc/47/01/08/569470108.db2.gz ILUDLRVSWDMYAV-YADARESESA-N -1 0 432.480 2.360 50 0 IEAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O ZINC000008789747 569475906 /nfs/dbraw/zinc/47/59/06/569475906.db2.gz QUVCPGXJUQZCAW-PMACEKPBSA-N -1 0 446.463 2.031 50 0 biogenic IEAARM CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2c(OC)cc(C)cc2oc1=O)C(=O)N[C@@H](C)C(=O)[O-] ZINC000008790111 569475967 /nfs/dbraw/zinc/47/59/67/569475967.db2.gz QBLHGVZHHUCVBA-VQZRKKFQSA-N -1 0 446.500 2.081 50 0 biogenic IEAARM CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCC(C(=O)N[C@@H](C)C(=O)[O-])CC1 ZINC000008790201 569476052 /nfs/dbraw/zinc/47/60/52/569476052.db2.gz OBTZKGKFJMXNSU-OTBWCIGPSA-N -1 0 441.569 2.438 50 0 IEAARM CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N[C@H](C)C(=O)[O-] ZINC000008790460 569476064 /nfs/dbraw/zinc/47/60/64/569476064.db2.gz HORMGZBYZMQGQC-HFRMIMLQSA-N -1 0 447.557 2.155 50 0 biogenic IEAARM CC(C)C[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)[O-] ZINC000008791303 569476199 /nfs/dbraw/zinc/47/61/99/569476199.db2.gz FIRAKOBZCZTWHB-WJBZZZKMSA-N -1 0 447.557 2.155 50 0 biogenic IEAARM CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N[C@@H](C)C(=O)[O-] ZINC000008791316 569476215 /nfs/dbraw/zinc/47/62/15/569476215.db2.gz VIABPXCUXYVHTH-NZNSQFJMSA-N -1 0 447.557 2.155 50 0 biogenic IEAARM Cc1ncc2c(c1O)[C@@H](c1c([O-])[nH]c(=O)n(-c3ccc(Br)cc3)c1=O)OC2 ZINC000008918567 569486249 /nfs/dbraw/zinc/48/62/49/569486249.db2.gz DHBOZPJBAVWPJE-HNNXBMFYSA-N -1 0 432.230 2.023 50 0 biogenic IEAARM CCOc1ccc(C(=O)Nc2c(N)nc(SCC(=O)N3CCCCC3)[n-]c2=O)cc1 ZINC000009518163 569543982 /nfs/dbraw/zinc/54/39/82/569543982.db2.gz QFRRMSVNYWZDLC-UHFFFAOYSA-N -1 0 431.518 2.108 50 0 IEAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CNC(=O)c3cccs3)cc2)n1 ZINC000009635333 569554605 /nfs/dbraw/zinc/55/46/05/569554605.db2.gz VNCDRKJJNMEQAS-UHFFFAOYSA-N -1 0 445.526 2.324 50 0 IEAARM COc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(Cl)c4)c(=O)c2=3)c1 ZINC000009674932 569559204 /nfs/dbraw/zinc/55/92/04/569559204.db2.gz HWVXWRSNFDDDHB-ROUUACIJSA-N -1 0 443.847 2.289 50 0 IEAARM CCOC(=O)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)cc1 ZINC000009675307 569559267 /nfs/dbraw/zinc/55/92/67/569559267.db2.gz NMBSPNKPRFSHMZ-WOJBJXKFSA-N -1 0 449.467 2.412 50 0 IEAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)NCc4ccc(F)cc4)c=3c2=O)cc1Cl ZINC000009748712 569565964 /nfs/dbraw/zinc/56/59/64/569565964.db2.gz DJMSDSKRHVVLAP-QZTJIDSGSA-N -1 0 429.839 2.397 50 0 IEAARM O=C1CCCN1c1ccccc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009953612 569574767 /nfs/dbraw/zinc/57/47/67/569574767.db2.gz LGWUNMZOMPJTPW-UHFFFAOYSA-N -1 0 449.554 2.399 50 0 IEAARM O=C([O-])[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)N1CC(=O)Nc2ccccc21 ZINC000009044435 132226633 /nfs/dbraw/zinc/22/66/33/132226633.db2.gz VXFKEANCXNFNSU-PKOBYXMFSA-N -1 0 436.468 2.491 50 0 biogenic IEAARM COc1ccc(N2C(=O)[N-]C(=O)C(=C(C)NCc3cc(OC)cc(OC)c3)C2=O)cc1 ZINC000001283069 132241152 /nfs/dbraw/zinc/24/11/52/132241152.db2.gz MOLJTNOYOCNSDO-UYRXBGFRSA-N -1 0 425.441 2.359 50 0 IEAARM COc1ccc(OC)c([C@@H]2C/C(=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)NN2)c1 ZINC000009420393 132316362 /nfs/dbraw/zinc/31/63/62/132316362.db2.gz PTCZYQHYGWNJJU-ROAZCBAYSA-N -1 0 442.859 2.433 50 0 IEAARM CC(C)NC(=O)CN1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2cccs2)CC1 ZINC000021533668 519707196 /nfs/dbraw/zinc/70/71/96/519707196.db2.gz WSFVNTSRZGXPHK-UHFFFAOYSA-N -1 0 430.530 2.345 50 0 IEAARM CC(C)C[C@@H](C(=O)N[C@H](C)C(=O)[O-])N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012880257 519770021 /nfs/dbraw/zinc/77/00/21/519770021.db2.gz XIIBSDVOMUVKRA-ZZKQDXLVSA-N -1 0 440.500 2.207 50 0 biogenic IEAARM CCOC(=O)C1CCN(c2ncc(NS(=O)(=O)c3ccccc3)cc2C(=O)[O-])CC1 ZINC000035397401 520587324 /nfs/dbraw/zinc/58/73/24/520587324.db2.gz WHWSKOZVTMFMFK-UHFFFAOYSA-N -1 0 433.486 2.360 50 0 IEAARM CCOc1ccc(N2C(=O)c3ccccc3/C(=C/NNc3nc(=O)c(C)n[n-]3)C2=O)cc1 ZINC000017952378 521041745 /nfs/dbraw/zinc/04/17/45/521041745.db2.gz INYMCNWNDJEWSG-PDGQHHTCSA-N -1 0 432.440 2.017 50 0 IEAARM CCCn1c(=O)c2c(nc1N1CCN(C(=O)CCC(=O)[O-])CC1)sc1c2CCCC1 ZINC000020717108 521616236 /nfs/dbraw/zinc/61/62/36/521616236.db2.gz XQNVFNHYEOQPHU-UHFFFAOYSA-N -1 0 432.546 2.260 50 0 IEAARM COc1cc2c(cc1[N-]S(=O)(=O)c1ccc(Br)cc1)n(C)c(=O)n2C ZINC000020853938 523019603 /nfs/dbraw/zinc/01/96/03/523019603.db2.gz QIJGWAIKWKSIBP-UHFFFAOYSA-N -1 0 426.292 2.449 50 0 IEAARM Cc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2OCC(=O)N2CCOCC2)n1 ZINC000012462974 524690056 /nfs/dbraw/zinc/69/00/56/524690056.db2.gz YICISFQYJUZCFZ-UHFFFAOYSA-N -1 0 425.894 2.082 50 0 IEAARM C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(O)c(C(=O)[O-])c3)c(Cl)c2)C1=O ZINC000041182035 524749871 /nfs/dbraw/zinc/74/98/71/524749871.db2.gz JVXVHGSDHFUFAR-VIFPVBQESA-N -1 0 438.845 2.309 50 0 IEAARM C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)C(=O)[O-] ZINC000012794434 524914082 /nfs/dbraw/zinc/91/40/82/524914082.db2.gz BSBLECUIYOTRTL-VIFPVBQESA-N -1 0 442.843 2.349 50 0 IEAARM C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(O)c(C(=O)[O-])c3)c(Cl)c2)C1=O ZINC000041182033 525165468 /nfs/dbraw/zinc/16/54/68/525165468.db2.gz JVXVHGSDHFUFAR-SECBINFHSA-N -1 0 438.845 2.309 50 0 IEAARM C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3cc(C(=O)[O-])ccc3O)c(Cl)c2)C1=O ZINC000041195112 525165573 /nfs/dbraw/zinc/16/55/73/525165573.db2.gz YMUNKADWQIFUCO-SECBINFHSA-N -1 0 438.845 2.309 50 0 IEAARM Cc1cc(=O)n2c3c(cc(S(=O)(=O)NCCOc4ccc(C(=O)[O-])cc4)cc13)CCC2 ZINC000012444944 526142159 /nfs/dbraw/zinc/14/21/59/526142159.db2.gz BFECISASGDELKC-UHFFFAOYSA-N -1 0 442.493 2.312 50 0 IEAARM O=C([O-])[C@H](c1c[nH]c2cc(F)ccc21)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000020723371 526314877 /nfs/dbraw/zinc/31/48/77/526314877.db2.gz IZKLCXFMNSMAPW-SFTDATJTSA-N -1 0 439.443 2.417 50 0 IEAARM O=C([O-])c1ccc(CSCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000012779024 526369393 /nfs/dbraw/zinc/36/93/93/526369393.db2.gz JKXLIUOIJHJXKJ-UHFFFAOYSA-N -1 0 448.566 2.292 50 0 IEAARM O=C([O-])c1ccc(N2CCN(CC(=O)N3CCCC3)CC2)c(NC(=O)c2ccccc2)c1 ZINC000021882313 526372966 /nfs/dbraw/zinc/37/29/66/526372966.db2.gz YATZOQXAGGWWBC-UHFFFAOYSA-N -1 0 436.512 2.382 50 0 IEAARM Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCCc3c(C(=O)[O-])cccc32)CC1 ZINC000012761127 526547884 /nfs/dbraw/zinc/54/78/84/526547884.db2.gz DSHQLUUWZKCZJN-UHFFFAOYSA-N -1 0 447.513 2.370 50 0 IEAARM O=C(N[C@H]1C=CS(=O)(=O)C1)c1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000012324092 527012543 /nfs/dbraw/zinc/01/25/43/527012543.db2.gz MSOWQGUJNZWOFJ-ZDUSSCGKSA-N -1 0 449.535 2.138 50 0 IEAARM Cn1c2nc(NCCC(c3ccccc3)c3ccccc3)n(CC(=O)[O-])c2c(=O)[nH]c1=O ZINC000069534041 527122521 /nfs/dbraw/zinc/12/25/21/527122521.db2.gz GPSBPBDBXHCTPQ-UHFFFAOYSA-N -1 0 433.468 2.142 50 0 IEAARM COc1ccc(CN(C(=O)C=CC(=O)[O-])[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000000715147 555548677 /nfs/dbraw/zinc/54/86/77/555548677.db2.gz UBQVOOMFHXNJRI-DOJUMQAQSA-N -1 0 426.400 2.136 50 0 IEAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccncc3)cc2)s1 ZINC000002071403 555734780 /nfs/dbraw/zinc/73/47/80/555734780.db2.gz BSKLUDZLGLROPW-UHFFFAOYSA-N -1 0 448.555 2.423 50 0 IEAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nnc(N)s3)cc2)c1C ZINC000002840630 555835308 /nfs/dbraw/zinc/83/53/08/555835308.db2.gz NPMAAHRDCCIJQC-UHFFFAOYSA-N -1 0 440.532 2.257 50 0 IEAARM O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000002987715 555874372 /nfs/dbraw/zinc/87/43/72/555874372.db2.gz GBPQUXCIPVPEOI-UHFFFAOYSA-N -1 0 441.494 2.293 50 0 IEAARM Nc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)s1 ZINC000002999156 555877351 /nfs/dbraw/zinc/87/73/51/555877351.db2.gz RVBJJWZFBPQDCI-UHFFFAOYSA-N -1 0 428.546 2.108 50 0 IEAARM O=C(NC[C@H]1CCCO1)c1ccc(Cn2c(=S)[n-]c3cc4c(cc3c2=O)OCO4)cc1 ZINC000002975444 556153603 /nfs/dbraw/zinc/15/36/03/556153603.db2.gz ADZFDKVJIVVHHE-OAHLLOKOSA-N -1 0 439.493 2.371 50 0 IEAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)nc(OC)n1 ZINC000009354507 556284663 /nfs/dbraw/zinc/28/46/63/556284663.db2.gz BIXJBRHVKMDQTO-UHFFFAOYSA-N -1 0 444.469 2.312 50 0 IEAARM Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc(C(=O)[O-])cc3)n2C)cc1 ZINC000013880326 556325736 /nfs/dbraw/zinc/32/57/36/556325736.db2.gz QUJWRSUBRWVROJ-UHFFFAOYSA-N -1 0 439.497 2.483 50 0 IEAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)CCNC(=O)c3ccccc3)cc2)n1 ZINC000010342401 556333133 /nfs/dbraw/zinc/33/31/33/556333133.db2.gz ULMSPQOKQZCZAI-UHFFFAOYSA-N -1 0 439.497 2.344 50 0 IEAARM COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3nc(C)cs3)[n-]c2=O)cc1 ZINC000011025551 556434592 /nfs/dbraw/zinc/43/45/92/556434592.db2.gz DDKUFSBPAQGWGI-UHFFFAOYSA-N -1 0 446.514 2.109 50 0 IEAARM CN(C)S(=O)(=O)c1cc(C(=O)NC2(C(=O)[O-])CCCCC2)ccc1Br ZINC000013168497 556498307 /nfs/dbraw/zinc/49/83/07/556498307.db2.gz LVDZHYJROABYHE-UHFFFAOYSA-N -1 0 433.324 2.217 50 0 IEAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnnn1-c1cccc(F)c1 ZINC000013400832 556504457 /nfs/dbraw/zinc/50/44/57/556504457.db2.gz IMDSBSIWLAQHKW-QGZVFWFLSA-N -1 0 440.460 2.187 50 0 IEAARM CC(C)[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3c2N=S=N3)C1)C(=O)[O-] ZINC000013624171 556536554 /nfs/dbraw/zinc/53/65/54/556536554.db2.gz RSBSMAQWXADQET-FZMZJTMJSA-N -1 0 426.520 2.039 50 0 IEAARM CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3c2N=S=N3)C1)C(=O)[O-] ZINC000013630011 556539166 /nfs/dbraw/zinc/53/91/66/556539166.db2.gz NVUYWGPFDXYIHC-ZOWXZIJZSA-N -1 0 440.547 2.429 50 0 IEAARM COc1ccccc1CCN(C(=O)C=CC(=O)[O-])[C@@H]1CC(=O)N(c2ccccc2C)C1=O ZINC000033643743 556617457 /nfs/dbraw/zinc/61/74/57/556617457.db2.gz PVQIJCLVISYLRY-YAINUAMHSA-N -1 0 436.464 2.348 50 0 IEAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc6c(c5)OCO6)no4)c=3c2=O)cc1 ZINC000038487656 556649627 /nfs/dbraw/zinc/64/96/27/556649627.db2.gz IGPQBGKISNLPQO-QZTJIDSGSA-N -1 0 432.396 2.267 50 0 IEAARM O=S(=O)([N-]c1cc(-c2ccc(Cl)cc2)nn1[C@@H]1CCS(=O)(=O)C1)c1c[nH]cn1 ZINC000011795834 556656572 /nfs/dbraw/zinc/65/65/72/556656572.db2.gz DYDGHMZILLGZKN-CYBMUJFWSA-N -1 0 441.922 2.087 50 0 IEAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(-c2ccc(C)cc2)nn1[C@H]1CCS(=O)(=O)C1 ZINC000011795945 556657090 /nfs/dbraw/zinc/65/70/90/556657090.db2.gz SAFDZMLHIHHXHB-INIZCTEOSA-N -1 0 449.558 2.359 50 0 IEAARM COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccco3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000011795963 556657200 /nfs/dbraw/zinc/65/72/00/556657200.db2.gz ASPCNHUNTFUJRJ-ZDUSSCGKSA-N -1 0 437.499 2.312 50 0 IEAARM Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C4CCC(CC4)[C@@H]3C(=O)[O-])CC2)cc1C ZINC000017099018 556663999 /nfs/dbraw/zinc/66/39/99/556663999.db2.gz FZACPAHLSHTZRZ-WXDAQCLHSA-N -1 0 434.558 2.273 50 0 IEAARM COc1cc(/C=C2\C(=O)[N-]N(c3ccc(I)cc3)C2=O)ccc1O ZINC000000726003 556683335 /nfs/dbraw/zinc/68/33/35/556683335.db2.gz GNXSNDLGMDCLSZ-MDWZMJQESA-N -1 0 436.205 2.467 50 0 IEAARM CCOc1ccccc1NC(=O)CN1C(=O)N[C@@](CCC(=O)[O-])(c2ccccc2)C1=O ZINC000008844962 556849977 /nfs/dbraw/zinc/84/99/77/556849977.db2.gz IJRHXMYKQCDMFY-QFIPXVFZSA-N -1 0 425.441 2.336 50 0 IEAARM CC(C)CC(=O)Nc1ccc2nc(N3CCN(CC(=O)N(C)C)CC3)cc(C(=O)[O-])c2c1 ZINC000033260712 556897425 /nfs/dbraw/zinc/89/74/25/556897425.db2.gz ZWAFPAPXIZOPME-UHFFFAOYSA-N -1 0 441.532 2.128 50 0 IEAARM CC(=O)Nc1ccc2nc(N3CCN(CC(=O)N4CCCCC4)CC3)cc(C(=O)[O-])c2c1 ZINC000033260787 556897655 /nfs/dbraw/zinc/89/76/55/556897655.db2.gz NITOPOHOUHCVBD-UHFFFAOYSA-N -1 0 439.516 2.026 50 0 IEAARM O=C([C@H]1COc2ccccc2O1)N1CCc2nc3cc(-c4ccccc4)[n-]n3c(=O)c2C1 ZINC000097088302 556983650 /nfs/dbraw/zinc/98/36/50/556983650.db2.gz FZXASGQGFIORGR-OAQYLSRUSA-N -1 0 428.448 2.414 50 0 IEAARM COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(C)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000020332292 557008350 /nfs/dbraw/zinc/00/83/50/557008350.db2.gz NKHQJQHABUHZFN-HZQOKBKYSA-N -1 0 446.463 2.399 50 0 IEAARM CCCNC(=O)CN1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccccc2F)CC1 ZINC000032946836 557035046 /nfs/dbraw/zinc/03/50/46/557035046.db2.gz TXYRQGZOHLSTRZ-UHFFFAOYSA-N -1 0 442.491 2.424 50 0 IEAARM COc1ccc(F)cc1CN1CCN(S(=O)(=O)c2ccc(CC(=O)[O-])s2)CC1 ZINC000049592573 557114824 /nfs/dbraw/zinc/11/48/24/557114824.db2.gz MYGGDWXVURJXBW-UHFFFAOYSA-N -1 0 428.507 2.029 50 0 IEAARM CCOC(=O)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccccc4C)c(=O)c2=3)cc1 ZINC000101218093 557120025 /nfs/dbraw/zinc/12/00/25/557120025.db2.gz SPWQDCZRSZDCJA-MOPGFXCFSA-N -1 0 435.440 2.104 50 0 IEAARM COc1ccc(-c2cn(CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])c(=O)cn2)cc1 ZINC000218246659 557184548 /nfs/dbraw/zinc/18/45/48/557184548.db2.gz VWSXEYZFIVBFPH-FQEVSTJZSA-N -1 0 446.463 2.212 50 0 IEAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)N1CCN(c2cnccn2)CC1 ZINC000025343721 557205349 /nfs/dbraw/zinc/20/53/49/557205349.db2.gz AJYJNHZZDHBUBK-UHFFFAOYSA-N -1 0 441.488 2.379 50 0 IEAARM COC(=O)C(=C([O-])C(=O)Nc1ccccc1C(=O)OC)c1cnc2cc(C)c(C)cc2n1 ZINC000025585713 557217539 /nfs/dbraw/zinc/21/75/39/557217539.db2.gz CMTWNIBPNCVQNX-IBGZPJMESA-N -1 0 435.436 2.498 50 0 IEAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(F)c3)c(=O)c1=2)NC12CC3CC(CC(C3)C1)C2 ZINC000018162352 557244792 /nfs/dbraw/zinc/24/47/92/557244792.db2.gz RSKHFIQGQRMHLL-VFTIKCAPSA-N -1 0 425.464 2.204 50 0 IEAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(Cl)c4)c(=O)c2=3)cc1 ZINC000101169613 557259398 /nfs/dbraw/zinc/25/93/98/557259398.db2.gz KKZLDFGOINJPSF-IRXDYDNUSA-N -1 0 431.811 2.420 50 0 IEAARM CCc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(OC)c4)c(=O)c2=3)cc1 ZINC000101169899 557259580 /nfs/dbraw/zinc/25/95/80/557259580.db2.gz GYAWGVNLMMLQEQ-WOJBJXKFSA-N -1 0 437.456 2.198 50 0 IEAARM COC(=O)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)cc1 ZINC000101170646 557260011 /nfs/dbraw/zinc/26/00/11/557260011.db2.gz NDWPKLAUBYQPOC-OALUTQOASA-N -1 0 435.440 2.022 50 0 IEAARM CCOc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(C)ccc4OC)c=3c2=O)cc1 ZINC000101416951 557284885 /nfs/dbraw/zinc/28/48/85/557284885.db2.gz YZXYSLKFLCWUNL-UXHICEINSA-N -1 0 437.456 2.334 50 0 IEAARM CCOc1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(Cc4ccccc4)c3[O-])=NN2C(C)=O)cc1 ZINC000101456335 557287026 /nfs/dbraw/zinc/28/70/26/557287026.db2.gz SVDQNTRCJVOVGP-FQEVSTJZSA-N -1 0 448.479 2.387 50 0 IEAARM COc1ccccc1[C@H]1CC(c2c([O-])[nH]c(=O)n(-c3ccccc3C)c2=O)=NN1C(C)=O ZINC000101456787 557287087 /nfs/dbraw/zinc/28/70/87/557287087.db2.gz XPEYCKPOSXJPAQ-GOSISDBHSA-N -1 0 434.452 2.246 50 0 IEAARM COc1ccccc1N(Cc1nn2c([n-]1)nc(C)cc2=O)S(=O)(=O)c1ccc(C)cc1 ZINC000101581858 557291082 /nfs/dbraw/zinc/29/10/82/557291082.db2.gz DRDVURGZJBCYCQ-UHFFFAOYSA-N -1 0 439.497 2.439 50 0 IEAARM O=c1[nH]c([O-])c(C2=NN[C@@H](c3ccc4c(c3)OCO4)C2)c(=O)n1-c1ccc(Cl)cc1 ZINC000101762696 557297599 /nfs/dbraw/zinc/29/75/99/557297599.db2.gz ADNHUQNAOYHAEE-CYBMUJFWSA-N -1 0 426.816 2.052 50 0 IEAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Br)c3)c(=O)c1=2)Nc1ccccc1 ZINC000102000344 557311433 /nfs/dbraw/zinc/31/14/33/557311433.db2.gz RQSKWQYIQLRYTJ-CVEARBPZSA-N -1 0 428.246 2.381 50 0 IEAARM COC(=O)C[C@H](c1cc2cccc3c2n(c1=O)CCC3)c1c(=O)nc2ccccn2c1[O-] ZINC000205950935 557389655 /nfs/dbraw/zinc/38/96/55/557389655.db2.gz MACCSCLLUOOBCK-MRXNPFEDSA-N -1 0 431.448 2.356 50 0 IEAARM COC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1c(=O)nc2ccc(Cl)cn2c1[O-] ZINC000205956132 557389733 /nfs/dbraw/zinc/38/97/33/557389733.db2.gz GPTMMYCMSILETQ-GFCCVEGCSA-N -1 0 434.832 2.471 50 0 IEAARM NC(=O)c1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4ccccc4N4CCSC[C@@H]43)C2=O)cc1 ZINC000025185389 557529298 /nfs/dbraw/zinc/52/92/98/557529298.db2.gz DDMCZWSOIGUACF-VGSWGCGISA-N -1 0 436.493 2.373 50 0 IEAARM COCCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc3c(c1)OCO3)c2=O ZINC000003043900 562932086 /nfs/dbraw/zinc/93/20/86/562932086.db2.gz YYDUTONBWPIRES-UHFFFAOYSA-N -1 0 427.482 2.229 50 0 IEAARM CNC(=S)N1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2OC)C[C@H]1C ZINC000008670498 562960616 /nfs/dbraw/zinc/96/06/16/562960616.db2.gz SQGQWUALLOIMST-LLVKDONJSA-N -1 0 448.520 2.197 50 0 IEAARM O=C([O-])C=CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(=O)N(c2c(Cl)cccc2Cl)C1=O ZINC000013121638 562984728 /nfs/dbraw/zinc/98/47/28/562984728.db2.gz CSEXFXUVFPQNRI-JUONBAAVSA-N -1 0 441.267 2.274 50 0 IEAARM CCOc1ccc(N2C(=O)C[C@H](N(CCc3ccccc3)C(=O)C=CC(=O)[O-])C2=O)cc1 ZINC000018122687 563022252 /nfs/dbraw/zinc/02/22/52/563022252.db2.gz TWQNFEXKBQNXEU-SJFMBGHLSA-N -1 0 436.464 2.429 50 0 IEAARM COC(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(OC)ncn3)cc2)cc1 ZINC000000949259 568644354 /nfs/dbraw/zinc/64/43/54/568644354.db2.gz ZAVPSPFPJKGSAW-UHFFFAOYSA-N -1 0 442.453 2.325 50 0 IEAARM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2-n2cc(C(=O)OC)nn2)cc1 ZINC000031648147 568741357 /nfs/dbraw/zinc/74/13/57/568741357.db2.gz LKUIPBKFMNHPKJ-UHFFFAOYSA-N -1 0 430.442 2.031 50 0 IEAARM O=C1c2ccccc2S(=O)(=O)[N-]N1Cc1nnc(-c2ccccc2Br)o1 ZINC000003396609 568748458 /nfs/dbraw/zinc/74/84/58/568748458.db2.gz NJEOZRVJFGVHFY-UHFFFAOYSA-N -1 0 435.259 2.348 50 0 IEAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(N3CCCS3(=O)=O)ccc2OC)c1 ZINC000015780559 568825361 /nfs/dbraw/zinc/82/53/61/568825361.db2.gz CIIRSBCMKCMOLP-UHFFFAOYSA-N -1 0 442.515 2.053 50 0 IEAARM O=C(c1cc(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCC4)c2)c[nH]1)N1CCCC1 ZINC000026538171 568880092 /nfs/dbraw/zinc/88/00/92/568880092.db2.gz AUUFFOBHMIJMQI-UHFFFAOYSA-N -1 0 426.502 2.256 50 0 IEAARM O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3[nH]c(=O)sc3[C@H]4c3cccs3)[C@@H]2C1=O ZINC000245234768 568913083 /nfs/dbraw/zinc/91/30/83/568913083.db2.gz DVRQTSNAVXBUAN-KSTYRUHBSA-N -1 0 448.547 2.056 50 0 IEAARM COc1ccc(Cl)cc1N1CC[C@H](NC(=O)c2cccc(-n3[n-]c(=O)ccc3=O)c2)C1 ZINC000089457716 568925567 /nfs/dbraw/zinc/92/55/67/568925567.db2.gz KHVVVHHHLYJNPZ-INIZCTEOSA-N -1 0 440.887 2.197 50 0 IEAARM CC[NH+]1CCN(c2ccc([N-]S(=O)(=O)c3cc(OC)ccc3OC)c(C(=O)[O-])c2)CC1 ZINC000064461939 568929622 /nfs/dbraw/zinc/92/96/22/568929622.db2.gz KSODKSLDLJWPAK-UHFFFAOYSA-N -1 0 449.529 2.345 50 0 IEAARM O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(Cc3cccnc3)CC2)c2ccc(F)cc21 ZINC000036358879 569085374 /nfs/dbraw/zinc/08/53/74/569085374.db2.gz PFSBMPAQRGEIOX-NRFANRHFSA-N -1 0 426.448 2.204 50 0 IEAARM Cc1cccc(-c2nnnn2[C@@H]2C[C@H]2C)c1[N-]S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000170618566 569147139 /nfs/dbraw/zinc/14/71/39/569147139.db2.gz JBJLSVJZXQTWFX-CZUORRHYSA-N -1 0 443.533 2.071 50 0 IEAARM COc1ccc(C(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000170617270 569147181 /nfs/dbraw/zinc/14/71/81/569147181.db2.gz ZYUJYZLOFBSWLR-ZDUSSCGKSA-N -1 0 430.482 2.294 50 0 IEAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCN1CCN(c3ccccc3F)CC1)c2=O ZINC000016840501 569163112 /nfs/dbraw/zinc/16/31/12/569163112.db2.gz AEFCGCLNGSDWFD-UHFFFAOYSA-N -1 0 442.516 2.433 50 0 IEAARM CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000089791107 569165131 /nfs/dbraw/zinc/16/51/31/569165131.db2.gz IXERNJUYDSSTFF-CQSZACIVSA-N -1 0 436.964 2.210 50 0 IEAARM Cc1ncc2c(c1O)[C@H](c1c([O-])[nH]c(=O)n(-c3ccc(Br)cc3)c1=O)OC2 ZINC000002100876 569179718 /nfs/dbraw/zinc/17/97/18/569179718.db2.gz DHBOZPJBAVWPJE-OAHLLOKOSA-N -1 0 432.230 2.023 50 0 biogenic IEAARM CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCC(C(=O)N[C@H](C)C(=O)[O-])CC1 ZINC000252537110 569190004 /nfs/dbraw/zinc/19/00/04/569190004.db2.gz KIDORVQUOANXCJ-WHHARQNVSA-N -1 0 441.569 2.438 50 0 IEAARM CC(C)C[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000252694439 569210917 /nfs/dbraw/zinc/21/09/17/569210917.db2.gz KPZYKZKTIXZRHP-VQHPVUNQSA-N -1 0 441.569 2.438 50 0 biogenic IEAARM COc1cc(C(=O)N/C(=C/c2ccc(F)cc2)C(=O)NCCC(=O)[O-])cc(OC)c1OC ZINC000027521254 569218393 /nfs/dbraw/zinc/21/83/93/569218393.db2.gz SFEZARGUJDRGJA-MHWRWJLKSA-N -1 0 446.431 2.213 50 0 IEAARM Cc1nc(Cn2nnc([N-]S(=O)(=O)c3ccc(Br)c(C)c3)c2C)no1 ZINC000253415815 569266387 /nfs/dbraw/zinc/26/63/87/569266387.db2.gz GJECISMLPPIDEL-UHFFFAOYSA-N -1 0 427.284 2.198 50 0 IEAARM COC(=O)Cc1nnc([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)[nH]1 ZINC000253427585 569267487 /nfs/dbraw/zinc/26/74/87/569267487.db2.gz AQQVRFDEJIHCHF-UHFFFAOYSA-N -1 0 444.094 2.390 50 0 IEAARM CC(C)NS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000013260091 569312607 /nfs/dbraw/zinc/31/26/07/569312607.db2.gz ZOSRLOXLJBRRTR-IBGZPJMESA-N -1 0 429.498 2.280 50 0 IEAARM NS(=O)(=O)c1ccc(Br)cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000328594100 569317656 /nfs/dbraw/zinc/31/76/56/569317656.db2.gz PPZONZVHFLGBGG-UHFFFAOYSA-N -1 0 427.248 2.176 50 0 IEAARM Cc1cc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc(S(=O)(=O)N(C)C)c1C ZINC000095424592 569365861 /nfs/dbraw/zinc/36/58/61/569365861.db2.gz SUOAMFQFIGDKJF-IBGZPJMESA-N -1 0 443.525 2.461 50 0 IEAARM Cn1cc(S(=O)(=O)Nc2ccc(N3CCc4ccccc43)cc2C(=O)[O-])cc1C(N)=O ZINC000095448437 569367649 /nfs/dbraw/zinc/36/76/49/569367649.db2.gz UUPKNOWBIMBQML-UHFFFAOYSA-N -1 0 440.481 2.317 50 0 IEAARM CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1C(F)F ZINC000095462979 569370322 /nfs/dbraw/zinc/37/03/22/569370322.db2.gz OBINESPCQHTCAM-UHFFFAOYSA-N -1 0 435.426 2.292 50 0 IEAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1ccc2c(c1)OCO2 ZINC000095481496 569374056 /nfs/dbraw/zinc/37/40/56/569374056.db2.gz SHSNGYSNCAQDKC-DLBZAZTESA-N -1 0 427.804 2.001 50 0 IEAARM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020643782 569374762 /nfs/dbraw/zinc/37/47/62/569374762.db2.gz QIPCPUPFYVSOAY-UHFFFAOYSA-N -1 0 438.509 2.132 50 0 IEAARM COc1ccc(CCN2C[C@H](C(=O)N3CCC(CCC(=O)[O-])CC3)CC2=O)cc1OC ZINC000095991839 569378388 /nfs/dbraw/zinc/37/83/88/569378388.db2.gz RLGJIGZRGILCOT-GOSISDBHSA-N -1 0 432.517 2.198 50 0 IEAARM Cn1cnc(S(=O)(=O)[N-]c2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CCC3)c1 ZINC000096025606 569380749 /nfs/dbraw/zinc/38/07/49/569380749.db2.gz CVGSSPWZWQSLBR-UHFFFAOYSA-N -1 0 432.527 2.362 50 0 IEAARM COC(=O)C[C@@H](c1ccc(OCCn2cccn2)cc1)c1c([O-])nc2ccccn2c1=O ZINC000096117792 569384267 /nfs/dbraw/zinc/38/42/67/569384267.db2.gz WWTKTRZVAJIHCU-SFHVURJKSA-N -1 0 434.452 2.371 50 0 IEAARM COC(=O)c1cccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000096361149 569397599 /nfs/dbraw/zinc/39/75/99/569397599.db2.gz FYZQGGRXAXJMPM-UHFFFAOYSA-N -1 0 430.442 2.258 50 0 IEAARM COc1cccc(S(=O)(=O)N2CCc3nc4cc(-c5ccccc5)[n-]n4c(=O)c3C2)c1 ZINC000097161446 569403253 /nfs/dbraw/zinc/40/32/53/569403253.db2.gz WCWGOPLZNUMQEB-UHFFFAOYSA-N -1 0 436.493 2.445 50 0 IEAARM CS(=O)(=O)N1CCN([C@H](C(=O)[O-])c2c[nH]c3cc(OCc4ccccc4)ccc32)CC1 ZINC000032074799 569459361 /nfs/dbraw/zinc/45/93/61/569459361.db2.gz NYJJVVFNMRZYHV-NRFANRHFSA-N -1 0 443.525 2.450 50 0 IEAARM CC(=O)N1[C@@H](C)CN(c2c(F)c(N)c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@@H]1C ZINC000032088023 569459468 /nfs/dbraw/zinc/45/94/68/569459468.db2.gz LRMADKFQHZGZLJ-UWVGGRQHSA-N -1 0 434.443 2.341 50 0 IEAARM COc1ccc(S(=O)(=O)N2CCN([C@@H](C(=O)[O-])c3c[nH]c4ccccc43)CC2)cc1 ZINC000032090228 569459535 /nfs/dbraw/zinc/45/95/35/569459535.db2.gz XOCLVZCXEYEQFY-HXUWFJFHSA-N -1 0 429.498 2.309 50 0 IEAARM CCOc1ccc(CCNC(=O)CS(=O)(=O)c2nc3ccccc3[n-]2)cc1OCC ZINC000040152112 569493401 /nfs/dbraw/zinc/49/34/01/569493401.db2.gz HPRLUOMDOOWABI-UHFFFAOYSA-N -1 0 431.514 2.493 50 0 IEAARM CSCC[C@@H](NC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccco1)C(=O)[O-] ZINC000009058330 569499295 /nfs/dbraw/zinc/49/92/95/569499295.db2.gz IASAJVBNAROAHJ-CKXDQPNJSA-N -1 0 432.454 2.102 50 0 IEAARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000009203138 569511244 /nfs/dbraw/zinc/51/12/44/569511244.db2.gz DDDZURVZEMNSRR-UHFFFAOYSA-N -1 0 442.497 2.496 50 0 IEAARM C[C@]1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)Cc2ccccc2C(=O)O1 ZINC000009254199 569516299 /nfs/dbraw/zinc/51/62/99/569516299.db2.gz XNWGFONYVGHPDH-OAQYLSRUSA-N -1 0 438.465 2.388 50 0 IEAARM CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])C(C)C)CC1 ZINC000009320208 569522575 /nfs/dbraw/zinc/52/25/75/569522575.db2.gz OYPDPMMOPWYHGV-IRXDYDNUSA-N -1 0 441.569 2.390 50 0 IEAARM COc1ccc([C@H]2C/C(=C3\C(=O)[N-]C(=O)N(Cc4ccccc4)C3=O)NN2C(C)=O)cc1 ZINC000009430244 569533941 /nfs/dbraw/zinc/53/39/41/569533941.db2.gz PFFRDSLPQFWPHC-LAFOYAEKSA-N -1 0 434.452 2.026 50 0 IEAARM CCOc1ccc(C(=O)Nc2c(N)nc(SCC(=O)N3CCCCCC3)[n-]c2=O)cc1 ZINC000009518164 569543966 /nfs/dbraw/zinc/54/39/66/569543966.db2.gz HCASPPDHLVMHFV-UHFFFAOYSA-N -1 0 445.545 2.498 50 0 IEAARM COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000009539943 569545731 /nfs/dbraw/zinc/54/57/31/569545731.db2.gz QABVDVGLDDPKSA-UHFFFAOYSA-N -1 0 446.934 2.170 50 0 IEAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1ccc2c(c1)OCO2 ZINC000009674610 569559171 /nfs/dbraw/zinc/55/91/71/569559171.db2.gz SHSNGYSNCAQDKC-SJORKVTESA-N -1 0 427.804 2.001 50 0 IEAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(Cl)c4)c(=O)c2=3)cc1 ZINC000009674941 569559252 /nfs/dbraw/zinc/55/92/52/569559252.db2.gz WWHDPDCERDVUFW-MSOLQXFVSA-N -1 0 443.847 2.289 50 0 IEAARM CCOc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1 ZINC000009675261 569559282 /nfs/dbraw/zinc/55/92/82/569559282.db2.gz CMKAPXBCMPNDGP-MSOLQXFVSA-N -1 0 429.383 2.295 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)NCc4ccc(C)cc4)c=3c2=O)cc1Cl ZINC000009675095 569559298 /nfs/dbraw/zinc/55/92/98/569559298.db2.gz OVWBGISCGRDQHF-RTBURBONSA-N -1 0 441.875 2.267 50 0 IEAARM COC(=O)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)cc1 ZINC000009675314 569559303 /nfs/dbraw/zinc/55/93/03/569559303.db2.gz NDWPKLAUBYQPOC-RTBURBONSA-N -1 0 435.440 2.022 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(C)c4C)c=3c2=O)cc1OC ZINC000009675637 569559309 /nfs/dbraw/zinc/55/93/09/569559309.db2.gz WTBZTOZGHURYJC-UXHICEINSA-N -1 0 437.456 2.253 50 0 IEAARM COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3ccccc3C(N)=O)cs2)cc1 ZINC000009828677 569569815 /nfs/dbraw/zinc/56/98/15/569569815.db2.gz FYDYHBBPEGTPAG-UHFFFAOYSA-N -1 0 446.510 2.233 50 0 IEAARM CN(C)S(=O)(=O)c1cc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])ccc1Cl ZINC000009877489 569572675 /nfs/dbraw/zinc/57/26/75/569572675.db2.gz KKHXMOQOAONJNP-QGZVFWFLSA-N -1 0 449.916 2.497 50 0 IEAARM CCOc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCN(C(C)=O)CC2)cc1OC ZINC000022627518 122357458 /nfs/dbraw/zinc/35/74/58/122357458.db2.gz AKANXOFRHVNPGA-GOSISDBHSA-N -1 0 445.545 2.466 50 0 IEAARM O=C(C[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)N1CCN(c2ccccc2F)CC1 ZINC000002968791 132259986 /nfs/dbraw/zinc/25/99/86/132259986.db2.gz DIPOCPBPIMLASD-KRWDZBQOSA-N -1 0 437.500 2.232 50 0 IEAARM CCS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)C[C@@H](C(=O)[O-])O2 ZINC000006182860 132276535 /nfs/dbraw/zinc/27/65/35/132276535.db2.gz SVNACZROGVHTGQ-INIZCTEOSA-N -1 0 445.902 2.175 50 0 IEAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000008900877 132297387 /nfs/dbraw/zinc/29/73/87/132297387.db2.gz SGLDBSQOULBARY-OAHLLOKOSA-N -1 0 425.514 2.441 50 0 IEAARM CN(C)S(=O)(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000012526191 521988542 /nfs/dbraw/zinc/98/85/42/521988542.db2.gz CXRGKVSSCYURAY-UHFFFAOYSA-N -1 0 435.321 2.206 50 0 IEAARM CC[C@@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)[O-] ZINC000012881941 522380547 /nfs/dbraw/zinc/38/05/47/522380547.db2.gz RFUPAELEDGOCAH-XAFIJRRZSA-N -1 0 447.557 2.155 50 0 biogenic IEAARM COc1cccc2c([C@H](C(=O)[O-])N3CCN(S(=O)(=O)c4ccccc4)CC3)c[nH]c21 ZINC000020732587 524201538 /nfs/dbraw/zinc/20/15/38/524201538.db2.gz RFLQPQUWBZPOFS-HXUWFJFHSA-N -1 0 429.498 2.309 50 0 IEAARM COc1ccc([N-]S(=O)(=O)c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)cc1Cl ZINC000012235980 524682844 /nfs/dbraw/zinc/68/28/44/524682844.db2.gz RDNASYLZZACGTF-ZDUSSCGKSA-N -1 0 433.939 2.322 50 0 IEAARM COc1ccccc1[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(C)=O ZINC000020945403 524787643 /nfs/dbraw/zinc/78/76/43/524787643.db2.gz MEYZQLZFZCRMPT-ACJLOTCBSA-N -1 0 432.498 2.487 50 0 IEAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)cc2)n1 ZINC000021350392 525698212 /nfs/dbraw/zinc/69/82/12/525698212.db2.gz VDQDGUPBXXONAU-AWEZNQCLSA-N -1 0 431.518 2.171 50 0 IEAARM O=C(NCCN1CCOCC1)C1(c2ccc([N-]S(=O)(=O)c3cccs3)cc2)CC1 ZINC000033115493 526316436 /nfs/dbraw/zinc/31/64/36/526316436.db2.gz IQUDFFANJURWFV-UHFFFAOYSA-N -1 0 435.571 2.029 50 0 IEAARM O=C(NCc1cccnc1OC1CCCC1)c1nc2n(n1)-c1ccccc1S(=O)(=O)[N-]2 ZINC000069510831 526773326 /nfs/dbraw/zinc/77/33/26/526773326.db2.gz GMCACKVDBDRQOC-UHFFFAOYSA-N -1 0 440.485 2.028 50 0 IEAARM O=C(N[C@@H]1C=CS(=O)(=O)C1)c1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000012324093 526875577 /nfs/dbraw/zinc/87/55/77/526875577.db2.gz MSOWQGUJNZWOFJ-CYBMUJFWSA-N -1 0 449.535 2.138 50 0 IEAARM O=C([O-])/C=C/C(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])[NH+]1CCN(c2ccccn2)CC1 ZINC000031818155 527544191 /nfs/dbraw/zinc/54/41/91/527544191.db2.gz ZIGSKPHCQQLLMF-XYXUZSOXSA-N -1 0 449.467 2.090 50 0 IEAARM O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3[nH]c(=O)sc3[C@@H]4c3cccs3)[C@@H]2C1=O ZINC000245234770 527608167 /nfs/dbraw/zinc/60/81/67/527608167.db2.gz DVRQTSNAVXBUAN-VSMXJBNFSA-N -1 0 448.547 2.056 50 0 IEAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(OCC(N)=O)c(C)cc2Cl)cc1 ZINC000001108685 555630216 /nfs/dbraw/zinc/63/02/16/555630216.db2.gz ONZNXCWHRRKUHX-UHFFFAOYSA-N -1 0 426.878 2.490 50 0 IEAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccc(S(C)(=O)=O)cc3s2)cc1 ZINC000002311025 555767609 /nfs/dbraw/zinc/76/76/09/555767609.db2.gz SFWKVFXDGCXQNF-UHFFFAOYSA-N -1 0 425.513 2.459 50 0 IEAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3c(C)noc3C)cc2)nc(OC)n1 ZINC000002872648 555850716 /nfs/dbraw/zinc/85/07/16/555850716.db2.gz MMDVKWOONWPOBR-UHFFFAOYSA-N -1 0 433.446 2.152 50 0 IEAARM CCOC(=O)[C@H]1CCCN(C(=O)CCc2nnc(-c3cccc(OCC)c3)[n-]c2=O)C1 ZINC000034764775 555906015 /nfs/dbraw/zinc/90/60/15/555906015.db2.gz VQLSEUIJRXLTIW-INIZCTEOSA-N -1 0 428.489 2.377 50 0 IEAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1Cl ZINC000009674868 556305765 /nfs/dbraw/zinc/30/57/65/556305765.db2.gz PGIKYWJVLCQYQP-IAGOWNOFSA-N -1 0 431.811 2.420 50 0 IEAARM Cc1cc(S(=O)(=O)N(C)C)cc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1C ZINC000013032521 556443001 /nfs/dbraw/zinc/44/30/01/556443001.db2.gz LBEHAWZKMWQWAU-UHFFFAOYSA-N -1 0 440.543 2.372 50 0 IEAARM Cc1csc2nc(CNC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])cc(=O)n12 ZINC000013235195 556500305 /nfs/dbraw/zinc/50/03/05/556500305.db2.gz NKTGFANDFFMDKC-MRXNPFEDSA-N -1 0 425.470 2.041 50 0 IEAARM O=C([O-])Cn1c(=O)c2c3c(sc2n(CC(=O)Nc2ccc(Cl)cc2)c1=O)CCCC3 ZINC000013608222 556533811 /nfs/dbraw/zinc/53/38/11/556533811.db2.gz OSIDYDLWJUUXHP-UHFFFAOYSA-N -1 0 447.900 2.480 50 0 IEAARM O=S(=O)([N-]c1cc(-c2ccc(Cl)cc2)nn1[C@H]1CCS(=O)(=O)C1)c1c[nH]cn1 ZINC000011795835 556656682 /nfs/dbraw/zinc/65/66/82/556656682.db2.gz DYDGHMZILLGZKN-ZDUSSCGKSA-N -1 0 441.922 2.087 50 0 IEAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(-c2ccccc2)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000011795934 556657080 /nfs/dbraw/zinc/65/70/80/556657080.db2.gz BNQAYXQMYCWMSW-OAHLLOKOSA-N -1 0 435.531 2.050 50 0 IEAARM CCn1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c(C)n1 ZINC000017095062 556658310 /nfs/dbraw/zinc/65/83/10/556658310.db2.gz QSTCNWLNDKTWEO-CQSZACIVSA-N -1 0 426.564 2.433 50 0 IEAARM Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3C4CCC(CC4)[C@H]3C(=O)[O-])CC2)c1 ZINC000017099023 556664010 /nfs/dbraw/zinc/66/40/10/556664010.db2.gz YSSHBUWXFBVHDW-OTGCGEFBSA-N -1 0 434.558 2.273 50 0 IEAARM Cc1c(C(=O)[O-])sc2[nH]c(=S)n(NC(=O)COc3ccc4c(c3)OCO4)c(=O)c12 ZINC000017099482 556664706 /nfs/dbraw/zinc/66/47/06/556664706.db2.gz XNDPSFXACSTWQH-UHFFFAOYSA-N -1 0 435.439 2.005 50 0 IEAARM Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)[N-]c1cccc2cccnc21 ZINC000011904042 556670086 /nfs/dbraw/zinc/67/00/86/556670086.db2.gz XUMPDANCKXDSKE-UHFFFAOYSA-N -1 0 431.495 2.411 50 0 IEAARM CCC(=O)Nc1ccc2nc(N3CCN(CC(=O)N4CCCC4)CC3)cc(C(=O)[O-])c2c1 ZINC000033260744 556897501 /nfs/dbraw/zinc/89/75/01/556897501.db2.gz GBRFTKKGBULMDS-UHFFFAOYSA-N -1 0 439.516 2.026 50 0 IEAARM O=C([C@@H]1COc2ccccc2O1)N1CCc2c(nc3cc(-c4ccccc4)[n-]n3c2=O)C1 ZINC000097086897 556982985 /nfs/dbraw/zinc/98/29/85/556982985.db2.gz KNGREAKBMBBGKT-NRFANRHFSA-N -1 0 428.448 2.414 50 0 IEAARM Cc1noc(C)c1S(=O)(=O)N1CCc2c(nc3cc(-c4ccccc4)[n-]n3c2=O)C1 ZINC000097123397 556990820 /nfs/dbraw/zinc/99/08/20/556990820.db2.gz BOSVBXFXYLKWPW-UHFFFAOYSA-N -1 0 425.470 2.041 50 0 IEAARM COC(=O)C[C@H](c1ccc(OCCn2cccn2)cc1)c1c(=O)nc2ccccn2c1[O-] ZINC000205972440 557072845 /nfs/dbraw/zinc/07/28/45/557072845.db2.gz BGOOEMWPHDEDOQ-GOSISDBHSA-N -1 0 434.452 2.371 50 0 IEAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1c[nH]c(-c2nnc(C(=O)N3CCCC3)o2)c1 ZINC000085808940 557076575 /nfs/dbraw/zinc/07/65/75/557076575.db2.gz YYUVDFKSMRXIQU-UHFFFAOYSA-N -1 0 431.474 2.419 50 0 IEAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1cnn(C[C@H]2COc3ccccc3O2)c1 ZINC000206847564 557166372 /nfs/dbraw/zinc/16/63/72/557166372.db2.gz XEGXHJCILHFTMS-ZDUSSCGKSA-N -1 0 435.483 2.372 50 0 IEAARM CC(=O)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc1 ZINC000098212470 557235721 /nfs/dbraw/zinc/23/57/21/557235721.db2.gz ZHZTYZGUSURTFU-ZWKOTPCHSA-N -1 0 425.832 2.475 50 0 IEAARM CC(=O)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc1 ZINC000100033162 557238117 /nfs/dbraw/zinc/23/81/17/557238117.db2.gz ZHZTYZGUSURTFU-MSOLQXFVSA-N -1 0 425.832 2.475 50 0 IEAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc1OC ZINC000100033129 557238125 /nfs/dbraw/zinc/23/81/25/557238125.db2.gz JWADTHIWEUFOBB-QZTJIDSGSA-N -1 0 443.847 2.289 50 0 IEAARM O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc2ccccc2cc1O ZINC000018151463 557243466 /nfs/dbraw/zinc/24/34/66/557243466.db2.gz ICQRERIDQAKIEO-UHFFFAOYSA-N -1 0 426.494 2.496 50 0 IEAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(Cl)c4)c(=O)c2=3)cc1 ZINC000101168804 557258954 /nfs/dbraw/zinc/25/89/54/557258954.db2.gz WWHDPDCERDVUFW-ZWKOTPCHSA-N -1 0 443.847 2.289 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(F)c4)c=3c2=O)cc1Cl ZINC000101168837 557258955 /nfs/dbraw/zinc/25/89/55/557258955.db2.gz NJPSNMPAABTJEO-IAGOWNOFSA-N -1 0 431.811 2.420 50 0 IEAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(Cl)c4)c(=O)c2=3)cc1 ZINC000101169615 557259391 /nfs/dbraw/zinc/25/93/91/557259391.db2.gz KKZLDFGOINJPSF-SJORKVTESA-N -1 0 431.811 2.420 50 0 IEAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Br)cc3)c(=O)c1=2)Nc1ccccc1 ZINC000101174245 557260631 /nfs/dbraw/zinc/26/06/31/557260631.db2.gz XZDGVDMXIMBFSD-HZPDHXFCSA-N -1 0 428.246 2.381 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(C)cc(C)c4)c=3c2=O)cc1OC ZINC000101390084 557282969 /nfs/dbraw/zinc/28/29/69/557282969.db2.gz UDNXBXNJAZEGAE-PMACEKPBSA-N -1 0 437.456 2.253 50 0 IEAARM CCOc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(C)ccc4OC)c=3c2=O)cc1 ZINC000101416954 557284924 /nfs/dbraw/zinc/28/49/24/557284924.db2.gz YZXYSLKFLCWUNL-VQTJNVASSA-N -1 0 437.456 2.334 50 0 IEAARM CCC(=O)N1N=C(c2c([O-])n(C)c(=S)n(C)c2=O)C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000101495708 557289461 /nfs/dbraw/zinc/28/94/61/557289461.db2.gz VTJBJPGXIRZMIL-CYBMUJFWSA-N -1 0 432.502 2.264 50 0 IEAARM COc1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(-c4ccc(Cl)cc4)c3=O)=NN2)cc1OC ZINC000101762620 557297121 /nfs/dbraw/zinc/29/71/21/557297121.db2.gz ZKFXZFPGJITGBE-AWEZNQCLSA-N -1 0 442.859 2.341 50 0 IEAARM O=c1[nH]c([O-])c(C2=NN[C@H](c3ccc4c(c3)OCO4)C2)c(=O)n1-c1ccc(Cl)cc1 ZINC000101762693 557297562 /nfs/dbraw/zinc/29/75/62/557297562.db2.gz ADNHUQNAOYHAEE-ZDUSSCGKSA-N -1 0 426.816 2.052 50 0 IEAARM COc1ccc(OC)c([C@H]2CC(c3c([O-])[nH]c(=O)n(-c4cccc(Cl)c4)c3=O)=NN2)c1 ZINC000101763095 557297576 /nfs/dbraw/zinc/29/75/76/557297576.db2.gz GHLCFEDGRJLZQN-OAHLLOKOSA-N -1 0 442.859 2.341 50 0 IEAARM CCOC(=O)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(CC)cc4)c(=O)c2=3)cc1 ZINC000102442370 557325865 /nfs/dbraw/zinc/32/58/65/557325865.db2.gz FBXISWAPYPCUEL-VQTJNVASSA-N -1 0 449.467 2.358 50 0 IEAARM COC(=O)C[C@@H](c1cc(OC)c(O)c(OC)c1)c1c(=O)nc2ccc(Cl)cn2c1[O-] ZINC000205956139 557389864 /nfs/dbraw/zinc/38/98/64/557389864.db2.gz GPTMMYCMSILETQ-LBPRGKRZSA-N -1 0 434.832 2.471 50 0 IEAARM COC(=O)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)cc1 ZINC000101170649 557455731 /nfs/dbraw/zinc/45/57/31/557455731.db2.gz NDWPKLAUBYQPOC-RBUKOAKNSA-N -1 0 435.440 2.022 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)c(F)c4)c=3c2=O)cc1OC ZINC000101169846 557455801 /nfs/dbraw/zinc/45/58/01/557455801.db2.gz KHNYNZVOVSLORG-RBUKOAKNSA-N -1 0 441.419 2.083 50 0 IEAARM NC(=O)c1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4ccccc4N4CCSC[C@@H]43)C2=O)cc1 ZINC000025185397 557529229 /nfs/dbraw/zinc/52/92/29/557529229.db2.gz DDMCZWSOIGUACF-VGOFRKELSA-N -1 0 436.493 2.373 50 0 IEAARM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)[C@@H]2COc3ccc(Br)cc32)c1 ZINC000225572737 557745040 /nfs/dbraw/zinc/74/50/40/557745040.db2.gz OSULINYLJUVJLQ-CYBMUJFWSA-N -1 0 428.308 2.283 50 0 IEAARM COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1 ZINC000002362337 562927107 /nfs/dbraw/zinc/92/71/07/562927107.db2.gz BJHREOHTLQAYAG-UHFFFAOYSA-N -1 0 443.510 2.413 50 0 IEAARM CCOC(=O)c1sc([N-][C@](NC(=O)c2ccco2)(C(=O)OC)C(F)(F)F)nc1C ZINC000003629130 562937025 /nfs/dbraw/zinc/93/70/25/562937025.db2.gz IMCCMMZLBVWHAK-OAHLLOKOSA-N -1 0 435.380 2.495 50 0 IEAARM CNC(=S)N1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2OC)C[C@@H]1C ZINC000008670499 562960643 /nfs/dbraw/zinc/96/06/43/562960643.db2.gz SQGQWUALLOIMST-NSHDSACASA-N -1 0 448.520 2.197 50 0 IEAARM O=C([O-])C=CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(=O)N(c2c(Cl)cccc2Cl)C1=O ZINC000009065187 562966860 /nfs/dbraw/zinc/96/68/60/562966860.db2.gz CSEXFXUVFPQNRI-MEQIJJHFSA-N -1 0 441.267 2.274 50 0 IEAARM COc1ccc2c(cc(C(=O)N[C@@H](CCSC)C(=O)N3CCC(C(=O)[O-])CC3)n2C)c1 ZINC000009187861 562968131 /nfs/dbraw/zinc/96/81/31/562968131.db2.gz XDCAIEYFOOMBOW-KRWDZBQOSA-N -1 0 447.557 2.362 50 0 IEAARM O=C([O-])[C@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000009723097 562976053 /nfs/dbraw/zinc/97/60/53/562976053.db2.gz BWAQWHHMKQFJJJ-OAHLLOKOSA-N -1 0 434.436 2.182 50 0 IEAARM C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)[N-]c3cccc4cccnc43)cc2)C1=O ZINC000011904068 562979707 /nfs/dbraw/zinc/97/97/07/562979707.db2.gz OWTFGRQSFOERGM-CYBMUJFWSA-N -1 0 431.495 2.348 50 0 IEAARM COc1ccccc1[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)C[C@@H](C)O2 ZINC000015936550 563018866 /nfs/dbraw/zinc/01/88/66/563018866.db2.gz HEUMFVYCKHUVQH-CXAGYDPISA-N -1 0 448.497 2.323 50 0 IEAARM COc1ccccc1[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)C[C@H](C)O2 ZINC000015936547 563018877 /nfs/dbraw/zinc/01/88/77/563018877.db2.gz HEUMFVYCKHUVQH-SUMWQHHRSA-N -1 0 448.497 2.323 50 0 IEAARM O=C([N-]S(=O)(=O)c1ccccc1Cl)N[C@]1(C(F)(F)F)C(=O)O[C@H]2CCC[C@@H]21 ZINC000004127205 568780778 /nfs/dbraw/zinc/78/07/78/568780778.db2.gz XBANLHASJIBGNH-BXGCZWRVSA-N -1 0 426.800 2.355 50 0 IEAARM COC(=O)c1ccc(C(=O)OC)c(Nc2nc3ccccc3nc2[N-]S(C)(=O)=O)c1 ZINC000006142869 568845578 /nfs/dbraw/zinc/84/55/78/568845578.db2.gz RNSNRVYLDGDOFR-UHFFFAOYSA-N -1 0 430.442 2.318 50 0 IEAARM CCCCc1cc(=O)oc2cc(OCC(=O)NCC(=O)N[C@H](C(=O)[O-])[C@H](C)CC)ccc12 ZINC000015955497 568859625 /nfs/dbraw/zinc/85/96/25/568859625.db2.gz BSVYXBFIVHCHTL-PEBXRYMYSA-N -1 0 446.500 2.246 50 0 IEAARM CC(C)C[C@@H](NC(=O)C1CCC(CNC(=O)[C@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000015959698 568860487 /nfs/dbraw/zinc/86/04/87/568860487.db2.gz KPZYKZKTIXZRHP-ZGRYLRDCSA-N -1 0 441.569 2.438 50 0 IEAARM C[C@@H]1CN(C(=O)COC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)C[C@@H](C)O1 ZINC000006343434 568892995 /nfs/dbraw/zinc/89/29/95/568892995.db2.gz APFVPAAJDBCMHG-ZIAGYGMSSA-N -1 0 438.527 2.342 50 0 IEAARM Cc1nn(CC(F)(F)F)c(C)c1CC(=O)[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000089512679 568927984 /nfs/dbraw/zinc/92/79/84/568927984.db2.gz OYGNDGVVRREKIP-UHFFFAOYSA-N -1 0 449.842 2.411 50 0 IEAARM COC(=O)Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3OC)ccc21 ZINC000064818757 568965384 /nfs/dbraw/zinc/96/53/84/568965384.db2.gz JYRCXBCLVIWCEV-UHFFFAOYSA-N -1 0 426.834 2.230 50 0 IEAARM COc1ccc2c(c1)c([C@@H](C(=O)[O-])[NH+]1CCN(c3ccccn3)CC1)cn2CCC(=O)[O-] ZINC000036365483 569086803 /nfs/dbraw/zinc/08/68/03/569086803.db2.gz HAAPTAKKKWCNJV-QFIPXVFZSA-N -1 0 438.484 2.468 50 0 IEAARM C[C@@H]1CCc2c(sc3[nH]c(=O)c(C(=O)Nc4ccc(S(N)(=O)=O)cc4)c([O-])c23)C1 ZINC000065150477 569111084 /nfs/dbraw/zinc/11/10/84/569111084.db2.gz NAAUGFLBQNLTKA-SECBINFHSA-N -1 0 433.511 2.320 50 0 IEAARM COc1cccc(/C=C/C(=O)[N-]S(=O)(=O)c2cncc(Br)c2)c1OC ZINC000065554360 569139763 /nfs/dbraw/zinc/13/97/63/569139763.db2.gz GQHWIJAWTLMJPA-VOTSOKGWSA-N -1 0 427.276 2.380 50 0 IEAARM CCCNc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000013250098 569151282 /nfs/dbraw/zinc/15/12/82/569151282.db2.gz JEKIRGSIHAPLFK-UHFFFAOYSA-N -1 0 441.531 2.272 50 0 IEAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC(=O)NCc1ccc(OC)c(OC)c1)c2=O ZINC000016959919 569168114 /nfs/dbraw/zinc/16/81/14/569168114.db2.gz ULCIYNCRIYOKOI-UHFFFAOYSA-N -1 0 443.481 2.179 50 0 IEAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2cccn(Cc3cccc(C)c3)c2=O)cc1 ZINC000017123101 569174269 /nfs/dbraw/zinc/17/42/69/569174269.db2.gz KXVORGMCVPMKBF-UHFFFAOYSA-N -1 0 439.493 2.282 50 0 IEAARM Cc1oc2cc3oc(=O)c(CC(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-])c(C)c3cc2c1C ZINC000002100872 569179753 /nfs/dbraw/zinc/17/97/53/569179753.db2.gz AGCPBUPLYQAYEZ-INIZCTEOSA-N -1 0 443.456 2.025 50 0 biogenic IEAARM Cc1coc2c1cc1c(C)c(CC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)c(=O)oc1c2C ZINC000002121919 569183566 /nfs/dbraw/zinc/18/35/66/569183566.db2.gz DABDOQOBTIEPOD-IBGZPJMESA-N -1 0 442.468 2.349 50 0 biogenic IEAARM COc1cc2c(cc1OC)[C@H](c1c([O-])[nH]c(=O)n(-c3ccccc3Cl)c1=O)NCC2 ZINC000002137153 569185328 /nfs/dbraw/zinc/18/53/28/569185328.db2.gz ZSWVUCXEKNTKLS-GOSISDBHSA-N -1 0 429.860 2.137 50 0 biogenic IEAARM COc1cc2oc(=O)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])c(C)c2cc1OC ZINC000002158421 569187745 /nfs/dbraw/zinc/18/77/45/569187745.db2.gz DODDPFVBYWVNSM-KRWDZBQOSA-N -1 0 425.437 2.473 50 0 biogenic IEAARM O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc3c(c1)OCO3)c2=O ZINC000003051715 569211225 /nfs/dbraw/zinc/21/12/25/569211225.db2.gz PMKXKTCDXITRPC-HNNXBMFYSA-N -1 0 439.493 2.371 50 0 IEAARM Cn1cc(Br)cc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)c1=O ZINC000079047523 569323290 /nfs/dbraw/zinc/32/32/90/569323290.db2.gz ZVEFICHUBKLCQJ-UHFFFAOYSA-N -1 0 427.276 2.136 50 0 IEAARM O=C(CC[N-]S(=O)(=O)c1c(F)cccc1F)NCc1ccnc(-c2ccncc2)c1 ZINC000390826312 569353843 /nfs/dbraw/zinc/35/38/43/569353843.db2.gz HYCCZADDUZDQSY-UHFFFAOYSA-N -1 0 432.452 2.407 50 0 IEAARM C[C@@](COc1ccccc1)(NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)[O-] ZINC000095424647 569365822 /nfs/dbraw/zinc/36/58/22/569365822.db2.gz JAWCHSOMAUZQDZ-NRFANRHFSA-N -1 0 432.498 2.123 50 0 IEAARM Cn1c2ccc(S(=O)(=O)Nc3ccc(C(=O)[O-])c(C(F)(F)F)c3)cc2n(C)c1=O ZINC000095428146 569366176 /nfs/dbraw/zinc/36/61/76/569366176.db2.gz HAYSIZUPNDNKQH-UHFFFAOYSA-N -1 0 429.376 2.395 50 0 IEAARM COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccc(F)cc2)cc1 ZINC000095458523 569369208 /nfs/dbraw/zinc/36/92/08/569369208.db2.gz JUSYOHQYTHPPND-UHFFFAOYSA-N -1 0 432.433 2.443 50 0 IEAARM COc1ccc(NC(=O)c2cc(F)cc(Cl)c2[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000095963340 569377181 /nfs/dbraw/zinc/37/71/81/569377181.db2.gz ZXRWTVKSVWSGGW-UHFFFAOYSA-N -1 0 444.868 2.467 50 0 IEAARM COC(=O)CCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2Cl)cc1 ZINC000095995708 569378624 /nfs/dbraw/zinc/37/86/24/569378624.db2.gz KJEFQMAQZMQIOI-UHFFFAOYSA-N -1 0 446.934 2.291 50 0 IEAARM COC(=O)C[C@H](c1cc2cc(OC)ccc2[nH]c1=O)c1c([O-])nc2ccc(C)cn2c1=O ZINC000096115706 569383270 /nfs/dbraw/zinc/38/32/70/569383270.db2.gz CKSGDAYYIXCDKK-OAHLLOKOSA-N -1 0 435.436 2.254 50 0 biogenic IEAARM Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)n1 ZINC000002478879 569404630 /nfs/dbraw/zinc/40/46/30/569404630.db2.gz GSBKBYPJQWAJLF-UHFFFAOYSA-N -1 0 437.528 2.066 50 0 IEAARM CCCn1c(=O)c2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2[n-]c1=S ZINC000003051789 569439298 /nfs/dbraw/zinc/43/92/98/569439298.db2.gz GXCODKJXKWNICV-UHFFFAOYSA-N -1 0 446.554 2.089 50 0 IEAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000003566419 569454151 /nfs/dbraw/zinc/45/41/51/569454151.db2.gz VCYVTYWAUIASMX-UHFFFAOYSA-N -1 0 428.470 2.486 50 0 IEAARM O=C([O-])C1CCC(CNC(=O)[C@H](Cc2ccccc2)n2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000008791283 569476165 /nfs/dbraw/zinc/47/61/65/569476165.db2.gz KCHRTDQGIZBUNV-NGICGMGXSA-N -1 0 449.507 2.481 50 0 biogenic IEAARM CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N[C@@H](C)C(=O)[O-] ZINC000008791317 569476205 /nfs/dbraw/zinc/47/62/05/569476205.db2.gz VIABPXCUXYVHTH-DKIXSGTJSA-N -1 0 447.557 2.155 50 0 biogenic IEAARM Cc1coc2cc3oc(=O)c(CCC(=O)NCC(=O)N4CCC[C@H]4C(=O)[O-])c(C)c3cc12 ZINC000008876227 569481100 /nfs/dbraw/zinc/48/11/00/569481100.db2.gz MPCGIHQPUQIUSK-KRWDZBQOSA-N -1 0 440.452 2.280 50 0 biogenic IEAARM C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000008918296 569486264 /nfs/dbraw/zinc/48/62/64/569486264.db2.gz MIPJYVKCKARBQP-YOEHRIQHSA-N -1 0 433.505 2.080 50 0 biogenic IEAARM CCCCc1cc(=O)oc2cc(OCC(=O)NCC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)ccc12 ZINC000008951919 569489954 /nfs/dbraw/zinc/48/99/54/569489954.db2.gz BSVYXBFIVHCHTL-FPTDNZKUSA-N -1 0 446.500 2.246 50 0 biogenic IEAARM C[C@@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2nc(N3CCCC3)ncc2Cl)C1=O ZINC000040152730 569493455 /nfs/dbraw/zinc/49/34/55/569493455.db2.gz QMJPBYCZYZAREB-NRFANRHFSA-N -1 0 442.907 2.318 50 0 IEAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3cnc4sccn4c3=O)cc2)c1C ZINC000009381282 569528102 /nfs/dbraw/zinc/52/81/02/569528102.db2.gz FSCUWGDMKUVWDO-UHFFFAOYSA-N -1 0 445.482 2.414 50 0 IEAARM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCNC(C)=O)ccc2OC)cc1 ZINC000009441890 569535406 /nfs/dbraw/zinc/53/54/06/569535406.db2.gz OAYKICHTFRUYIA-UHFFFAOYSA-N -1 0 435.502 2.359 50 0 IEAARM COC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000009467647 569538485 /nfs/dbraw/zinc/53/84/85/569538485.db2.gz SWSGQUWTNHXRQB-UHFFFAOYSA-N -1 0 433.305 2.214 50 0 IEAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCCC2)cc1 ZINC000009468009 569538507 /nfs/dbraw/zinc/53/85/07/569538507.db2.gz LRMALLBXCXPOKL-UHFFFAOYSA-N -1 0 431.514 2.238 50 0 IEAARM COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3ccccc3)[n-]c2=O)cc1 ZINC000009518111 569543922 /nfs/dbraw/zinc/54/39/22/569543922.db2.gz TZRBFHBUXDPLFP-UHFFFAOYSA-N -1 0 425.470 2.344 50 0 IEAARM COc1cc([N-]S(=O)(=O)c2c(C)nc3scc(C)n3c2=O)cc(OC)c1OC ZINC000009560752 569547098 /nfs/dbraw/zinc/54/70/98/569547098.db2.gz MJZSOTXLTQQNQA-UHFFFAOYSA-N -1 0 425.488 2.199 50 0 IEAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(-c2ccc(S(C)(=O)=O)nn2)cc1 ZINC000009650551 569556528 /nfs/dbraw/zinc/55/65/28/569556528.db2.gz PLTOJSKTMIRLBZ-UHFFFAOYSA-N -1 0 437.474 2.496 50 0 IEAARM CCOC(=O)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)cc1 ZINC000009675308 569559294 /nfs/dbraw/zinc/55/92/94/569559294.db2.gz NMBSPNKPRFSHMZ-UXHICEINSA-N -1 0 449.467 2.412 50 0 IEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4c(C)cccc4C)c=3c2=O)cc1OC ZINC000009675616 569559310 /nfs/dbraw/zinc/55/93/10/569559310.db2.gz OIARBKWZGGVYJN-UXHICEINSA-N -1 0 437.456 2.253 50 0 IEAARM CCc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(OC)c(OC)c3)c(=O)c1=2 ZINC000009675748 569559329 /nfs/dbraw/zinc/55/93/29/569559329.db2.gz DIRDPAIJOOFMAI-WOJBJXKFSA-N -1 0 437.456 2.198 50 0 IEAARM CCc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(OC)c4)c(=O)c2=3)cc1 ZINC000009675654 569559345 /nfs/dbraw/zinc/55/93/45/569559345.db2.gz GYAWGVNLMMLQEQ-UXHICEINSA-N -1 0 437.456 2.198 50 0 IEAARM O=C([O-])CCCCCN1C(=O)C(=C2C(=O)Nc3ccc(Br)cc32)NC1=S ZINC000009763332 569566660 /nfs/dbraw/zinc/56/66/60/569566660.db2.gz MAZRWLFZLSMMDP-YPKPFQOOSA-N -1 0 438.303 2.474 50 0 IEAARM CS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000010265553 569579992 /nfs/dbraw/zinc/57/99/92/569579992.db2.gz KXIPDLGSPXELLU-UHFFFAOYSA-N -1 0 428.369 2.175 50 0 IEAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(OC)c(OC)c4)c=3c2=O)cc1 ZINC000010272389 569580172 /nfs/dbraw/zinc/58/01/72/569580172.db2.gz GJYGAUGKTYFJKR-WOJBJXKFSA-N -1 0 437.456 2.198 50 0 IEAARM