smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2c(cc1C)CSC(c1cc(Br)ccc1[O-])SC2 ZINC000002267052 209354013 /nfs/dbraw/zinc/35/40/13/209354013.db2.gz AMTSZKIFBVIOKA-UHFFFAOYSA-N -1 3 381.360 5.950 50 0 GKAAHM O[C@@H]([N-]c1nc(-c2ccccc2)c(-c2ccccc2)s1)C(Cl)(Cl)Cl ZINC000002141216 209347699 /nfs/dbraw/zinc/34/76/99/209347699.db2.gz VCZROYMBUHFPJY-OAHLLOKOSA-N -1 3 399.730 5.578 50 0 GKAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(CSc3ccccc3)cc2)cc1 ZINC000001119469 209302943 /nfs/dbraw/zinc/30/29/43/209302943.db2.gz CUSHYQBJLIDDFA-UHFFFAOYSA-N -1 3 399.537 5.178 50 0 GKAAHM COc1ccc(-c2c[nH]nc2-c2ccc(OCc3ccccc3C)cc2[O-])cc1 ZINC000005178550 209231565 /nfs/dbraw/zinc/23/15/65/209231565.db2.gz MTTQVIBZIHHBSB-UHFFFAOYSA-N -1 3 386.451 5.345 50 0 GKAAHM Cc1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000001413236 212243327 /nfs/dbraw/zinc/24/33/27/212243327.db2.gz VGZQDOCSLQVIRY-HSZRJFAPSA-N -1 3 399.881 5.788 50 0 GKAAHM Cc1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000001413236 212243330 /nfs/dbraw/zinc/24/33/30/212243330.db2.gz VGZQDOCSLQVIRY-HSZRJFAPSA-N -1 3 399.881 5.788 50 0 GKAAHM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1Cl)c1ccc2ccccc2c1 ZINC000001218361 212230625 /nfs/dbraw/zinc/23/06/25/212230625.db2.gz SYXWKVNTTGSLEM-UHFFFAOYSA-N -1 3 385.794 5.313 50 0 GKAAHM CCc1cc(-c2n[nH]cc2-c2ccc(F)cc2)c([O-])cc1OCc1ccccc1 ZINC000001165836 212225517 /nfs/dbraw/zinc/22/55/17/212225517.db2.gz SSEXUYRVFNCHHW-UHFFFAOYSA-N -1 3 388.442 5.730 50 0 GKAAHM O=c1nc(C(Cl)=Cc2cccc(F)c2)[n-]c2scc(-c3cccs3)c21 ZINC000096792784 212156177 /nfs/dbraw/zinc/15/61/77/212156177.db2.gz DBLPATPDMQBQKM-MDWZMJQESA-N -1 3 388.876 6.001 50 0 GKAAHM Cc1ccc(NC(=O)c2c([N-]C(=O)C(F)(F)F)sc3c2CCCCC3)cc1 ZINC000001081674 203882022 /nfs/dbraw/zinc/88/20/22/203882022.db2.gz KMENWDJUNLBVEZ-UHFFFAOYSA-N -1 3 396.434 5.079 50 0 GKAAHM O=C([N-]c1cc(Cl)c(Cl)cc1Cl)c1c(F)c(F)c(F)c(F)c1F ZINC000004652596 204059234 /nfs/dbraw/zinc/05/92/34/204059234.db2.gz FGSJAEMCURZRSL-UHFFFAOYSA-N -1 3 390.522 5.595 50 0 GKAAHM O=C1c2[n-]nc(-c3ccccc3)c2[C@H](c2ccc(Cl)cc2)N1c1ccccc1 ZINC000008553775 204279955 /nfs/dbraw/zinc/27/99/55/204279955.db2.gz CYXAJHBRHUNWPW-QFIPXVFZSA-N -1 3 385.854 5.480 50 0 GKAAHM O=C1c2n[n-]c(-c3ccccc3)c2[C@H](c2ccc(Cl)cc2)N1c1ccccc1 ZINC000008553775 204279959 /nfs/dbraw/zinc/27/99/59/204279959.db2.gz CYXAJHBRHUNWPW-QFIPXVFZSA-N -1 3 385.854 5.480 50 0 GKAAHM C[C@H](c1nc(=O)c2c(-c3ccccc3)csc2[n-]1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000009336667 204306800 /nfs/dbraw/zinc/30/68/00/204306800.db2.gz VZLMWVKMALNKHM-SOLBZPMBSA-N -1 3 393.556 5.225 50 0 GKAAHM O=c1cc(-c2ccccc2)oc2cc(OCc3cccc4ccccc43)cc([O-])c12 ZINC000011865696 204357109 /nfs/dbraw/zinc/35/71/09/204357109.db2.gz OHAQJLIMJGSMIT-UHFFFAOYSA-N -1 3 394.426 5.898 50 0 biogenic GKAAHM O=c1nc(CN2CCC[C@@H]2c2cccs2)[n-]c2scc(-c3ccccc3)c21 ZINC000057457277 205157862 /nfs/dbraw/zinc/15/78/62/205157862.db2.gz RNFXXDOMBWRYON-MRXNPFEDSA-N -1 3 393.537 5.050 50 0 GKAAHM Cc1ccc(COc2ccc(-c3n[nH]cc3-c3ccc(Cl)cc3)c([O-])c2)cc1 ZINC000004749787 206293398 /nfs/dbraw/zinc/29/33/98/206293398.db2.gz OMVFWKUMLYYWSE-UHFFFAOYSA-N -1 3 390.870 5.990 50 0 GKAAHM COc1ccc(C2=Nc3ccccc3S[C@@H](c3ccccc3OC)C2)c([O-])c1 ZINC000000984783 206338472 /nfs/dbraw/zinc/33/84/72/206338472.db2.gz ZKMMMJWVJGIALA-HSZRJFAPSA-N -1 3 391.492 5.767 50 0 GKAAHM Cc1ccc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c([O-])c1 ZINC000001037852 206344191 /nfs/dbraw/zinc/34/41/91/206344191.db2.gz GSBPOMUZGGZJFD-UHFFFAOYSA-N -1 3 383.900 5.899 50 0 GKAAHM CN(Cc1ccccc1)C(=O)C[C@@H](c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000001123505 206355880 /nfs/dbraw/zinc/35/58/80/206355880.db2.gz QAAJDKJKNQYHAB-FQEVSTJZSA-N -1 3 379.887 5.226 50 0 GKAAHM C[C@@H]1CCc2c(sc([N-]C(=O)c3ccno3)c2-c2nc3ccccc3s2)C1 ZINC000010253939 206376945 /nfs/dbraw/zinc/37/69/45/206376945.db2.gz JDLMJLUNJTVWAJ-LLVKDONJSA-N -1 3 395.509 5.390 50 0 GKAAHM CCc1cc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(F)cc2)c([O-])cc1OC ZINC000001162375 206362704 /nfs/dbraw/zinc/36/27/04/206362704.db2.gz PANJJXALZCJKFQ-UHFFFAOYSA-N -1 3 380.341 5.178 50 0 GKAAHM Cc1sc2[n-]c(CNc3ccc(Cl)cc3)nc(=O)c2c1-c1ccccc1 ZINC000019926628 207170751 /nfs/dbraw/zinc/17/07/51/207170751.db2.gz KSVIYGYYQVLKAU-UHFFFAOYSA-N -1 3 381.888 5.226 50 0 GKAAHM O=C([N-]c1c(F)cccc1F)c1sc2cc(C(F)(F)F)ccc2c1Cl ZINC000023333377 207275994 /nfs/dbraw/zinc/27/59/94/207275994.db2.gz KZHCFLLIEQSDOF-UHFFFAOYSA-N -1 3 391.748 6.104 50 0 GKAAHM CC(C)[C@H](NCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)c1ccccc1 ZINC000024922629 207297174 /nfs/dbraw/zinc/29/71/74/207297174.db2.gz RSCRNRNMTARWOF-NRFANRHFSA-N -1 3 389.524 5.139 50 0 GKAAHM Cc1c2ccccc2oc1C(=O)[N-]c1nonc1-c1ccc(OCC(C)C)cc1 ZINC000027989969 207332697 /nfs/dbraw/zinc/33/26/97/207332697.db2.gz WKZRHURCIFXWTF-UHFFFAOYSA-N -1 3 391.427 5.078 50 0 GKAAHM CCOc1ccc(-c2nonc2[N-]C(=O)c2oc3c(ccc(C)c3C)c2C)cc1 ZINC000027663251 207328569 /nfs/dbraw/zinc/32/85/69/207328569.db2.gz LNBCYIASOYQHBH-UHFFFAOYSA-N -1 3 391.427 5.059 50 0 GKAAHM O=C([N-]c1cc(-c2ccc(Cl)cc2)no1)C1=C(c2ccccc2)SCCO1 ZINC000032097247 207393269 /nfs/dbraw/zinc/39/32/69/207393269.db2.gz QOSBFLNDEJYSBM-UHFFFAOYSA-N -1 3 398.871 5.066 50 0 GKAAHM Cc1cc([O-])c(-c2cc(C(=O)Nc3ccc(C(C)C)c(C)c3)n[nH]2)cc1Cl ZINC000072427516 208021879 /nfs/dbraw/zinc/02/18/79/208021879.db2.gz HLZKADFSRZNMFD-UHFFFAOYSA-N -1 3 383.879 5.428 50 0 GKAAHM Cc1c(CNCc2cccc(Cl)c2)c(C(=O)[O-])c(C)n1-c1ccc(C)cc1 ZINC000021025371 210374596 /nfs/dbraw/zinc/37/45/96/210374596.db2.gz LCFVCGYCIPSXDU-UHFFFAOYSA-N -1 3 382.891 5.044 50 0 GKAAHM Cc1cc(C)c(-c2c([O-])cc3n(c2=O)-c2ccc(Cl)cc2C3(C)C)c(C)c1 ZINC000004114619 220682768 /nfs/dbraw/zinc/68/27/68/220682768.db2.gz RZKHMJJFJWAJTP-UHFFFAOYSA-N -1 3 379.887 5.428 50 0 GKAAHM C[C@@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)c1ccc2c(c1)CCC2 ZINC000008489872 221041924 /nfs/dbraw/zinc/04/19/24/221041924.db2.gz SMWXLAZYGFSQSN-GFCCVEGCSA-N -1 3 399.516 5.273 50 0 GKAAHM Cc1c2cc(Cl)ccc2oc1C(=O)[N-]c1nc(-c2ccc(F)cc2)ns1 ZINC000008614054 221047269 /nfs/dbraw/zinc/04/72/69/221047269.db2.gz PSRSNNQFQFGFKV-UHFFFAOYSA-N -1 3 387.823 5.305 50 0 GKAAHM [O-]c1cc(OCc2ccccc2)ccc1-c1n[nH]cc1-c1ccc(Cl)cc1 ZINC000008744072 221053463 /nfs/dbraw/zinc/05/34/63/221053463.db2.gz WFFMUCOKXZGBGE-UHFFFAOYSA-N -1 3 376.843 5.682 50 0 GKAAHM Cc1cc2oc(=O)cc(-c3oc4ccccc4c3[N-]C(=O)c3ccco3)c2cc1C ZINC000011865176 221133425 /nfs/dbraw/zinc/13/34/25/221133425.db2.gz LNUMNHANKBAGKU-UHFFFAOYSA-N -1 3 399.402 5.668 50 0 GKAAHM [O-]c1cccc(/N=c2\cc(-c3ccccc3)oc3ccc(Br)cc32)c1 ZINC000012374210 221186573 /nfs/dbraw/zinc/18/65/73/221186573.db2.gz ZADYXTMVVQFGKF-FCDQGJHFSA-N -1 3 392.252 5.800 50 0 GKAAHM Cc1c(CN[C@@H](C)c2ccccc2)c(C(=O)[O-])c(C)n1Cc1cccc(Cl)c1 ZINC000015776975 221343930 /nfs/dbraw/zinc/34/39/30/221343930.db2.gz OUESFWRORGOWSA-HNNXBMFYSA-N -1 3 396.918 5.356 50 0 GKAAHM CCCCN(CCCC)Cc1nc2c(c(=O)[n-]1)C1(CCCC1)Cc1ccccc1-2 ZINC000017179592 221381220 /nfs/dbraw/zinc/38/12/20/221381220.db2.gz GCHKCOAUKVPGKC-UHFFFAOYSA-N -1 3 393.575 5.207 50 0 biogenic GKAAHM CC1=Nc2c(c(=O)[n-]n2C2CCCCC2)[C@H](c2cccc(OC(C)C)c2)S1 ZINC000085411867 222323126 /nfs/dbraw/zinc/32/31/26/222323126.db2.gz LJSJAOSIJIJXDM-IBGZPJMESA-N -1 3 385.533 5.355 50 0 GKAAHM CCSc1ccccc1[N-]C(=O)c1sc2cccc(Cl)c2c1Cl ZINC000082087348 222308882 /nfs/dbraw/zinc/30/88/82/222308882.db2.gz WYXBCJKLJLPIIG-UHFFFAOYSA-N -1 3 382.337 6.572 50 0 GKAAHM Cc1ccc(Nc2nc([O-])c(Cc3cccc(Cl)c3Cl)s2)cc1C ZINC000005812900 525270158 /nfs/dbraw/zinc/27/01/58/525270158.db2.gz RKUBUGVKPXQMSK-HNNXBMFYSA-N -1 3 379.312 5.263 50 0 GKAAHM Cc1c2ccccc2oc1C(=O)[N-]c1nnc(SCc2ccc(C)cc2)s1 ZINC000000702357 570218698 /nfs/dbraw/zinc/21/86/98/570218698.db2.gz VTPGIPOBCNQDGD-UHFFFAOYSA-N -1 3 395.509 5.446 50 0 GKAAHM Cc1ccc(SCc2ccccc2C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000001037882 570237318 /nfs/dbraw/zinc/23/73/18/570237318.db2.gz NTPJGGPACIHOJS-UHFFFAOYSA-N -1 3 383.900 5.899 50 0 GKAAHM COc1ccc(C2=Nc3ccccc3S[C@H](c3cccc(O)c3)C2)c([O-])c1 ZINC000001043902 570237909 /nfs/dbraw/zinc/23/79/09/570237909.db2.gz HGFKSMIVKKLVMF-QFIPXVFZSA-N -1 3 377.465 5.464 50 0 GKAAHM Cc1c2cc3c(cc2o/c(=N\[O-])c1Cc1ccccc1)OC1(CCCCC1)CC3 ZINC000137488270 570276862 /nfs/dbraw/zinc/27/68/62/570276862.db2.gz DVEHCZNPJRIPFX-LCUIJRPUSA-N -1 3 389.495 5.650 50 0 GKAAHM C[C@H](NCc1c2ccccc2n(Cc2ccccc2)c1C(=O)[O-])c1ccccc1 ZINC000006803653 570285341 /nfs/dbraw/zinc/28/53/41/570285341.db2.gz KNAHXUHJIAFSBL-SFHVURJKSA-N -1 3 384.479 5.239 50 0 GKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(CSc3ccccc3)cc2C)cc1 ZINC000002990914 570323608 /nfs/dbraw/zinc/32/36/08/570323608.db2.gz NHGWVPAPDOEYLV-UHFFFAOYSA-N -1 3 399.537 5.097 50 0 GKAAHM CC(C)c1cc(C(C)C)c(S(=O)(=O)[N-]c2ccccc2F)c(C(C)C)c1 ZINC000003664506 570349599 /nfs/dbraw/zinc/34/95/99/570349599.db2.gz UPMOASUAXAUSDQ-UHFFFAOYSA-N -1 3 377.525 5.997 50 0 GKAAHM Cc1ccc(-c2n[n-]c3c2[C@@H](c2ccc(Cl)cc2)N(c2ccccc2)C3=O)cc1 ZINC000004870412 570351706 /nfs/dbraw/zinc/35/17/06/570351706.db2.gz UHFPGEQDECGQRI-HSZRJFAPSA-N -1 3 399.881 5.788 50 0 GKAAHM Cc1ccc(-c2[n-]nc3c2[C@@H](c2ccc(Cl)cc2)N(c2ccccc2)C3=O)cc1 ZINC000004870412 570351709 /nfs/dbraw/zinc/35/17/09/570351709.db2.gz UHFPGEQDECGQRI-HSZRJFAPSA-N -1 3 399.881 5.788 50 0 GKAAHM CCCCCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)cc1 ZINC000004333188 570368566 /nfs/dbraw/zinc/36/85/66/570368566.db2.gz XTSWTSWUCLHPCD-UHFFFAOYSA-N -1 3 386.561 5.210 50 0 GKAAHM O=S(=O)(Cc1ccccc1F)[N-]c1ccc(-c2nc3ccccc3s2)cc1 ZINC000033169154 570402597 /nfs/dbraw/zinc/40/25/97/570402597.db2.gz KAICQCKZKKYSIZ-UHFFFAOYSA-N -1 3 398.484 5.044 50 0 GKAAHM Cc1cc([O-])c(-c2cc(C(=O)Nc3ccc4ccccc4c3)n[nH]2)cc1Cl ZINC000072238538 570410784 /nfs/dbraw/zinc/41/07/84/570410784.db2.gz SRJBOKOKXJQFCP-UHFFFAOYSA-N -1 3 377.831 5.150 50 0 GKAAHM Cc1ccc(-c2n[n-]c3c2[C@H](c2ccccc2)N(c2ccc(F)cc2)C3=O)cc1 ZINC000005248975 570432423 /nfs/dbraw/zinc/43/24/23/570432423.db2.gz QRLXAPQVRKIHEC-QHCPKHFHSA-N -1 3 383.426 5.274 50 0 GKAAHM Cc1ccc(-c2[n-]nc3c2[C@H](c2ccccc2)N(c2ccc(F)cc2)C3=O)cc1 ZINC000005248975 570432425 /nfs/dbraw/zinc/43/24/25/570432425.db2.gz QRLXAPQVRKIHEC-QHCPKHFHSA-N -1 3 383.426 5.274 50 0 GKAAHM COc1ccc(-c2nonc2[N-]C(=O)c2oc3ccc(Cl)cc3c2C)cc1C ZINC000027664352 570439643 /nfs/dbraw/zinc/43/96/43/570439643.db2.gz BTCRXFGWZMOHBP-UHFFFAOYSA-N -1 3 397.818 5.014 50 0 GKAAHM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[N-]c1cc(-c2ccc(F)cc2)no1 ZINC000028287507 570454633 /nfs/dbraw/zinc/45/46/33/570454633.db2.gz PIALWQKSWJGYTF-AWEZNQCLSA-N -1 3 382.435 5.184 50 0 GKAAHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cccc2ccccc21 ZINC000005172321 570491615 /nfs/dbraw/zinc/49/16/15/570491615.db2.gz UFFQLLBYUCEUOT-UHFFFAOYSA-N -1 3 396.471 6.074 50 0 GKAAHM COc1ccc(-c2c[nH]nc2-c2ccc(OCc3ccc(F)cc3)cc2[O-])cc1 ZINC000005177599 570494592 /nfs/dbraw/zinc/49/45/92/570494592.db2.gz JVBOOCGXYHMORB-UHFFFAOYSA-N -1 3 390.414 5.176 50 0 GKAAHM [O-]c1cc(OCc2ccc(F)cc2)ccc1-c1n[nH]cc1-c1ccc(Cl)cc1 ZINC000005209781 570507341 /nfs/dbraw/zinc/50/73/41/570507341.db2.gz YHKFGWRDXYIOLZ-UHFFFAOYSA-N -1 3 394.833 5.821 50 0 GKAAHM Cc1nc(-c2ccc(C(C)C)c(S(=O)(=O)[N-]c3ccccc3F)c2)cs1 ZINC000064669952 570514998 /nfs/dbraw/zinc/51/49/98/570514998.db2.gz CXVAYAHQZADELF-UHFFFAOYSA-N -1 3 390.505 5.182 50 0 GKAAHM COc1cccc(Oc2c[nH]nc2-c2ccc(OCc3ccccc3)cc2[O-])c1 ZINC000005248815 570524700 /nfs/dbraw/zinc/52/47/00/570524700.db2.gz BUTNWEONVNERGO-UHFFFAOYSA-N -1 3 388.423 5.162 50 0 GKAAHM O=C([N-]c1nnc(SCc2cccc3ccccc32)s1)c1cccs1 ZINC000004328680 570572955 /nfs/dbraw/zinc/57/29/55/570572955.db2.gz JJINKEZWHDFIEA-UHFFFAOYSA-N -1 3 383.523 5.297 50 0 GKAAHM COc1ccccc1-c1cnoc1-c1ccc(OCc2ccc(F)cc2)cc1[O-] ZINC000005423549 570589373 /nfs/dbraw/zinc/58/93/73/570589373.db2.gz ISDJNPDTNCDGCA-UHFFFAOYSA-N -1 3 391.398 5.441 50 0 GKAAHM CCCOC(=O)c1c([N-]C(=O)C(F)(F)F)sc(C)c1-c1ccc(C)cc1C ZINC000006783432 570590043 /nfs/dbraw/zinc/59/00/43/570590043.db2.gz JMMKIMNUQWIAKS-UHFFFAOYSA-N -1 3 399.434 5.408 50 0 GKAAHM Cc1ccc(Cn2c3cc(C)ccc3c(CNCc3ccccc3)c2C(=O)[O-])cc1 ZINC000006795475 570598644 /nfs/dbraw/zinc/59/86/44/570598644.db2.gz LDKYXYYADYFUGW-UHFFFAOYSA-N -1 3 398.506 5.294 50 0 GKAAHM CCOc1ccc(-c2onc(C(F)(F)F)c2-c2ccc(Cl)cc2)c([O-])c1 ZINC000005482886 570611082 /nfs/dbraw/zinc/61/10/82/570611082.db2.gz CJRJYZGGOHAFSL-UHFFFAOYSA-N -1 3 383.753 5.785 50 0 GKAAHM CCCOc1ccccc1[C@@H]1SCC(=O)Nc2c1c(=O)[n-]n2[C@H](C)CCC ZINC000005499498 570614674 /nfs/dbraw/zinc/61/46/74/570614674.db2.gz ANRQTMZEWFHDRY-ACJLOTCBSA-N -1 3 389.521 5.163 50 0 GKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3cc4ccccc4[nH]3)c2)cc1C ZINC000033020676 570646510 /nfs/dbraw/zinc/64/65/10/570646510.db2.gz BCNRJDOAURDNJF-UHFFFAOYSA-N -1 3 390.508 5.561 50 0 GKAAHM O=c1oc2ccc(Cl)cc2cc1-c1nnc([N-]c2ccccc2Cl)s1 ZINC000004600623 570651382 /nfs/dbraw/zinc/65/13/82/570651382.db2.gz HAOHHSWMMLDHQN-UHFFFAOYSA-N -1 3 390.251 5.362 50 0 GKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3cc4ccccc4[nH]3)cc2)c(C)c1 ZINC000033025716 570660603 /nfs/dbraw/zinc/66/06/03/570660603.db2.gz CUAZDXVGPCXTPS-UHFFFAOYSA-N -1 3 390.508 5.561 50 0 GKAAHM O=C(CCC(F)(F)F)Nc1ccccc1/C=C/c1ccc2cccc([O-])c2n1 ZINC000055035900 570679500 /nfs/dbraw/zinc/67/95/00/570679500.db2.gz WBIIHSNOWNCRJR-CSKARUKUSA-N -1 3 386.373 5.392 50 0 GKAAHM COc1cc([C@H]2CC(=O)c3c(ccc4ccccc43)N2)cc(Br)c1[O-] ZINC000005798329 570692087 /nfs/dbraw/zinc/69/20/87/570692087.db2.gz KVCQACYCNKIEPS-MRXNPFEDSA-N -1 3 398.256 5.056 50 0 GKAAHM Cc1ccc(-c2n[n-]c3c2[C@H](c2ccc(C)cc2)N(c2ccc(F)cc2)C3=O)cc1 ZINC000001084295 570751518 /nfs/dbraw/zinc/75/15/18/570751518.db2.gz RBNKPJQRXMSNJW-DEOSSOPVSA-N -1 3 397.453 5.582 50 0 GKAAHM Cc1ccc(-c2[n-]nc3c2[C@H](c2ccc(C)cc2)N(c2ccc(F)cc2)C3=O)cc1 ZINC000001084295 570751521 /nfs/dbraw/zinc/75/15/21/570751521.db2.gz RBNKPJQRXMSNJW-DEOSSOPVSA-N -1 3 397.453 5.582 50 0 GKAAHM Cc1ccc([C@H]2c3cc(Cl)c4ccccc4c3Oc3nc(C)[n-]c(=O)c32)cc1 ZINC000096602619 570775278 /nfs/dbraw/zinc/77/52/78/570775278.db2.gz ZWXOKPYGRXXVGX-IBGZPJMESA-N -1 3 388.854 5.479 50 0 GKAAHM CCCCCC[C@H](C)n1[n-]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc(F)cc1 ZINC000005865420 570798425 /nfs/dbraw/zinc/79/84/25/570798425.db2.gz IWSYKMUPXXXUKF-SCLBCKFNSA-N -1 3 391.512 5.034 50 0 GKAAHM O=C(CCOc1ccccc1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000005873845 570800251 /nfs/dbraw/zinc/80/02/51/570800251.db2.gz DJBJLNTTXKPSRT-UHFFFAOYSA-N -1 3 390.464 5.077 50 0 GKAAHM Cc1ccc([C@@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@@H](C)C3)cc1 ZINC000102602361 570853775 /nfs/dbraw/zinc/85/37/75/570853775.db2.gz RIQHAZDZIQXIDJ-YWZLYKJASA-N -1 3 385.467 5.346 50 0 GKAAHM C[C@H](c1nc(=O)c2c(-c3ccccc3)csc2[n-]1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000103316443 570880771 /nfs/dbraw/zinc/88/07/71/570880771.db2.gz VZLMWVKMALNKHM-JFIYKMOQSA-N -1 3 393.556 5.225 50 0 GKAAHM Cc1nn(C)c(C)c1[C@@H]1SC(C)=Nc2c1c(=O)[n-]n2C1CCCCCCC1 ZINC000071286980 570888934 /nfs/dbraw/zinc/88/89/34/570888934.db2.gz OATXUKIRROUBND-SFHVURJKSA-N -1 3 387.553 5.111 50 0 GKAAHM O=C(Nc1ccccc1[O-])c1oc2ccccc2c1CSc1ccccc1F ZINC000084587706 571024107 /nfs/dbraw/zinc/02/41/07/571024107.db2.gz YNUXRLMOXWOTQP-UHFFFAOYSA-N -1 3 393.439 5.822 50 0 GKAAHM CCOc1ccc(/N=c2/cc(-c3ccc(OC)cc3)oc3ccc([O-])cc32)cc1 ZINC000013774086 210090366 /nfs/dbraw/zinc/09/03/66/210090366.db2.gz ZNADJEHSAHHDNE-LVWGJNHUSA-N -1 3 387.435 5.445 50 0 GKAAHM O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1cc(Cl)ccc1[O-] ZINC000002850458 209391352 /nfs/dbraw/zinc/39/13/52/209391352.db2.gz BIVUBUDGNYTANW-UHFFFAOYSA-N -1 3 381.042 5.023 50 0 GKAAHM Cc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2cccs2)cc1F ZINC000001121245 209303600 /nfs/dbraw/zinc/30/36/00/209303600.db2.gz SOVMYASBECAWCL-UHFFFAOYSA-N -1 3 379.412 5.425 50 0 GKAAHM COc1ccc(C2=Nc3ccccc3S[C@@H](c3cccc(O)c3)C2)c([O-])c1 ZINC000001043901 209292824 /nfs/dbraw/zinc/29/28/24/209292824.db2.gz HGFKSMIVKKLVMF-JOCHJYFZSA-N -1 3 377.465 5.464 50 0 GKAAHM Cc1cc(C(=O)[N-]c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)on1 ZINC000009656680 209279568 /nfs/dbraw/zinc/27/95/68/209279568.db2.gz JVUVVZMZMGQTCR-UHFFFAOYSA-N -1 3 377.425 5.151 50 0 GKAAHM O=c1oc2ccccc2cc1-c1nnc([N-]c2ccc(Cl)cc2Cl)s1 ZINC000001658215 212252813 /nfs/dbraw/zinc/25/28/13/212252813.db2.gz FOLDCIFIFDZCAM-UHFFFAOYSA-N -1 3 390.251 5.362 50 0 GKAAHM O=C([N-]c1ccc(F)cc1F)c1sc(-c2ccccc2)nc1C(F)(F)F ZINC000001385576 212241410 /nfs/dbraw/zinc/24/14/10/212241410.db2.gz QAPDWAFUJXUGQC-UHFFFAOYSA-N -1 3 384.329 5.359 50 0 GKAAHM Cc1csc(/C(=C/c2ccc(Cl)cc2)c2nc(-c3ccc([O-])cc3)no2)n1 ZINC000096909480 212155961 /nfs/dbraw/zinc/15/59/61/212155961.db2.gz LVUNYBIIKUZUIA-LICLKQGHSA-N -1 3 395.871 5.449 50 0 GKAAHM COc1ccccc1-c1c[nH]nc1-c1ccc(OCc2ccc(F)cc2)cc1[O-] ZINC000018060175 212150221 /nfs/dbraw/zinc/15/02/21/212150221.db2.gz KVWGRIZTRZMKLN-UHFFFAOYSA-N -1 3 390.414 5.176 50 0 GKAAHM CCCc1cc(-c2onc(C)c2-c2ccc3c(c2)OCCCO3)c([O-])cc1OC ZINC000000630363 212143029 /nfs/dbraw/zinc/14/30/29/212143029.db2.gz VIJXJVZVCSEAMS-UHFFFAOYSA-N -1 3 395.455 5.145 50 0 biogenic GKAAHM O=C([O-])c1oc2ccc(Cl)cc2c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000004134351 204028356 /nfs/dbraw/zinc/02/83/56/204028356.db2.gz JJWQCQKYYXXLOU-UHFFFAOYSA-N -1 3 383.709 5.056 50 0 GKAAHM O=S(=O)([N-]c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(F)cc1 ZINC000004521959 204050960 /nfs/dbraw/zinc/05/09/60/204050960.db2.gz OIMJBURWPLWFKH-UHFFFAOYSA-N -1 3 385.504 5.094 50 0 GKAAHM O=C(Cc1ccc(Cl)cc1)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1 ZINC000004547391 204051885 /nfs/dbraw/zinc/05/18/85/204051885.db2.gz QFKUMVFJVZOQIA-UHFFFAOYSA-N -1 3 378.815 5.035 50 0 GKAAHM Cc1ccc(-c2ccc(-c3nc4sc5c(c4c(=O)[n-]3)CCCC5)o2)cc1Cl ZINC000005093304 204111180 /nfs/dbraw/zinc/11/11/80/204111180.db2.gz PCYHHOISBRLEFA-UHFFFAOYSA-N -1 3 396.899 5.752 50 0 GKAAHM COc1c(Br)cc(Cl)cc1/C=C/c1ccc2cccc([O-])c2n1 ZINC000004978606 204098317 /nfs/dbraw/zinc/09/83/17/204098317.db2.gz HBNPWSHRXILGKG-SOFGYWHQSA-N -1 3 390.664 5.535 50 0 GKAAHM Cc1ccc([C@@H]2c3c(-c4ccc(Cl)cc4)n[n-]c3C(=O)N2c2ccccc2)cc1 ZINC000005728603 204148299 /nfs/dbraw/zinc/14/82/99/204148299.db2.gz JOROQOOBUBBEQT-HSZRJFAPSA-N -1 3 399.881 5.788 50 0 GKAAHM Cc1ccc([C@@H]2c3c(n[n-]c3-c3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1 ZINC000005728603 204148302 /nfs/dbraw/zinc/14/83/02/204148302.db2.gz JOROQOOBUBBEQT-HSZRJFAPSA-N -1 3 399.881 5.788 50 0 GKAAHM CCCOc1ccccc1[C@H]1SCC(=O)Nc2c1c(=O)[n-]n2[C@@H](C)CCC ZINC000005499512 204135951 /nfs/dbraw/zinc/13/59/51/204135951.db2.gz ANRQTMZEWFHDRY-SCLBCKFNSA-N -1 3 389.521 5.163 50 0 GKAAHM CCCOc1c(Cl)cc(C(=O)[N-]c2nonc2-c2cccs2)cc1Cl ZINC000006719922 204194775 /nfs/dbraw/zinc/19/47/75/204194775.db2.gz GUWAASHZTXHWGD-UHFFFAOYSA-N -1 3 398.271 5.146 50 0 GKAAHM C[C@H](Nc1ccc2c(c1)CCC2)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000007003797 204230088 /nfs/dbraw/zinc/23/00/88/204230088.db2.gz DBDGEWDUTDPJEI-LBPRGKRZSA-N -1 3 393.537 5.375 50 0 GKAAHM Cc1c2cc(Cl)c(C)cc2oc1C(=O)[N-]c1nc(-c2ccccc2)ns1 ZINC000008614029 204282091 /nfs/dbraw/zinc/28/20/91/204282091.db2.gz SMUWUNXSAOSSKH-UHFFFAOYSA-N -1 3 383.860 5.474 50 0 aggregator GKAAHM Cc1c(CNCc2ccccc2C)c(C(=O)[O-])c(C)n1Cc1cccc(Cl)c1 ZINC000008932815 204294178 /nfs/dbraw/zinc/29/41/78/204294178.db2.gz CAWIFWAPDXCCMO-UHFFFAOYSA-N -1 3 396.918 5.103 50 0 GKAAHM Cc1cc(NC(=O)/C=C/c2ccco2)cc(-c2nc3cc(Cl)ccc3o2)c1[O-] ZINC000009576518 204316961 /nfs/dbraw/zinc/31/69/61/204316961.db2.gz ZVPHUOVPQCQADG-FNORWQNLSA-N -1 3 394.814 5.407 50 0 GKAAHM O=c1nc(CN2CCC[C@H]2c2cccs2)[n-]c2sc(-c3ccccc3)cc21 ZINC000058160588 205166005 /nfs/dbraw/zinc/16/60/05/205166005.db2.gz IAFWJLWAEINAPL-INIZCTEOSA-N -1 3 393.537 5.050 50 0 GKAAHM COc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2ccccc2)cc1[O-] ZINC000005160337 206292836 /nfs/dbraw/zinc/29/28/36/206292836.db2.gz MGDWHDMEKYLLHM-UHFFFAOYSA-N -1 3 388.423 5.162 50 0 GKAAHM CC(C)OC(=O)c1c([N-]C(=O)C(F)(F)F)scc1-c1ccccc1Cl ZINC000000668588 206314797 /nfs/dbraw/zinc/31/47/97/206314797.db2.gz JHVCUDCVFKXIHR-UHFFFAOYSA-N -1 3 391.798 5.135 50 0 GKAAHM O=C([N-]c1ccc(Br)cc1F)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000009322424 206320059 /nfs/dbraw/zinc/32/00/59/206320059.db2.gz VDAWXDMSTAEDJQ-UHFFFAOYSA-N -1 3 395.615 5.149 50 0 GKAAHM CCSc1ccccc1[N-]C(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000082087315 211159993 /nfs/dbraw/zinc/15/99/93/211159993.db2.gz BIOCKLBPBHBARH-UHFFFAOYSA-N -1 3 382.337 6.572 50 0 GKAAHM Cc1cc([O-])c(-c2cc(C(=O)Nc3ccccc3C(F)(F)F)n[nH]2)cc1Cl ZINC000072427481 211117885 /nfs/dbraw/zinc/11/78/85/211117885.db2.gz UHYJKGJFCZPEBD-UHFFFAOYSA-N -1 3 395.768 5.015 50 0 GKAAHM O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1ccccc1[O-] ZINC000010217062 206808523 /nfs/dbraw/zinc/80/85/23/206808523.db2.gz HKTCWPKZJSGKOV-UHFFFAOYSA-N -1 3 384.435 5.286 50 0 GKAAHM Cc1cc(NC(=O)c2ccc(Cl)cc2)cc(-c2nc3ccccc3s2)c1[O-] ZINC000016269626 207074271 /nfs/dbraw/zinc/07/42/71/207074271.db2.gz CFUCWBPEWKAYFA-UHFFFAOYSA-N -1 3 394.883 5.883 50 0 GKAAHM Cc1c(CNCc2cccc(Cl)c2)c(C(=O)[O-])c(C)n1Cc1cccc(C)c1 ZINC000020865824 207216822 /nfs/dbraw/zinc/21/68/22/207216822.db2.gz NAEQZONMSYIQKQ-UHFFFAOYSA-N -1 3 396.918 5.103 50 0 GKAAHM CCCN(Cc1ccccc1)Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000025789271 207306227 /nfs/dbraw/zinc/30/62/27/207306227.db2.gz SMVUZIVYSGLRIH-UHFFFAOYSA-N -1 3 389.524 5.064 50 0 GKAAHM C[C@@H]([N-]S(=O)(=O)/C(Cl)=C(\Cl)c1ccccc1)c1cc2ccccc2o1 ZINC000098063079 208366961 /nfs/dbraw/zinc/36/69/61/208366961.db2.gz OSKIVNRPEFYKLI-NUMWXTGKSA-N -1 3 396.295 5.217 50 0 GKAAHM Cc1c(CNCc2ccc(Cl)cc2)c(C(=O)[O-])c(C)n1-c1ccc(C)cc1 ZINC000021025104 210375411 /nfs/dbraw/zinc/37/54/11/210375411.db2.gz ARHXOAOCTKFCAW-UHFFFAOYSA-N -1 3 382.891 5.044 50 0 GKAAHM Cc1ccc(-c2cc([N-]C(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)on2)cc1 ZINC000011914820 221135698 /nfs/dbraw/zinc/13/56/98/221135698.db2.gz XZZNUBYJHONOBQ-OAHLLOKOSA-N -1 3 384.863 5.326 50 0 GKAAHM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[N-]c1ccc(F)c(F)c1F ZINC000015003001 221326619 /nfs/dbraw/zinc/32/66/19/221326619.db2.gz KCJJRKCNAXAWFS-UHFFFAOYSA-N -1 3 384.716 5.112 50 0 GKAAHM Cc1sc2[n-]c(C(Cl)=Cc3cccc(O)c3)nc(=O)c2c1-c1ccccc1 ZINC000033527619 221794008 /nfs/dbraw/zinc/79/40/08/221794008.db2.gz KCVUZQCEEFTCBU-LFIBNONCSA-N -1 3 394.883 5.815 50 0 GKAAHM CC(C)Oc1ccc(-c2cc(C(=O)[N-]c3nc4ccc(F)cc4s3)no2)cc1 ZINC000061997176 222064200 /nfs/dbraw/zinc/06/42/00/222064200.db2.gz IWGVTXSHBSTEIO-UHFFFAOYSA-N -1 3 397.431 5.130 50 0 GKAAHM CC1=Nc2c(c(=O)[n-]n2C2CCCCCC2)[C@@H](c2ccc(Cl)cc2)S1 ZINC000085412018 570226321 /nfs/dbraw/zinc/22/63/21/570226321.db2.gz XHOBOVRNWMCWGG-QGZVFWFLSA-N -1 3 375.925 5.611 50 0 GKAAHM O=C([N-]c1ccc(CSc2ccc(Cl)cc2)o1)Nc1ccccc1F ZINC000001048628 570238772 /nfs/dbraw/zinc/23/87/72/570238772.db2.gz RESXZYYDIQDMIO-UHFFFAOYSA-N -1 3 376.840 6.008 50 0 GKAAHM O=C(Nc1cc(Cl)ccc1[O-])c1cccc2c(Br)cccc12 ZINC000001066423 570240177 /nfs/dbraw/zinc/24/01/77/570240177.db2.gz DLTGSPPBZXGBCD-UHFFFAOYSA-N -1 3 376.637 5.214 50 0 GKAAHM O=C1[N-]C(=Cc2ccc(Sc3ccccc3)o2)C(=O)N1c1cccc(Cl)c1 ZINC000001132892 570246264 /nfs/dbraw/zinc/24/62/64/570246264.db2.gz VNBXTDZFRFAFDY-SFQUDFHCSA-N -1 3 396.855 5.182 50 0 GKAAHM CC[C@H](NC(=O)c1c([O-])c(-c2ccccc2)nc2ccccc21)c1ccccc1 ZINC000001543566 570264490 /nfs/dbraw/zinc/26/44/90/570264490.db2.gz BIAVGWDGIJKWRM-FQEVSTJZSA-N -1 3 382.463 5.489 50 0 investigational GKAAHM Cc1cccc(NC(=O)c2c([N-]C(=O)C(F)(F)F)sc3c2CCCCC3)c1 ZINC000000666144 570287829 /nfs/dbraw/zinc/28/78/29/570287829.db2.gz QMAWPGFEWKONED-UHFFFAOYSA-N -1 3 396.434 5.079 50 0 GKAAHM Cc1c2ccc(C)cc2oc1C(=O)[N-]c1nnc(SCc2ccccc2)s1 ZINC000002866566 570312675 /nfs/dbraw/zinc/31/26/75/570312675.db2.gz SDGITDWPUQGFNP-UHFFFAOYSA-N -1 3 395.509 5.446 50 0 GKAAHM CCOC(=O)c1cc(-c2ccccc2)sc1[N-]C(=O)c1c(F)cccc1F ZINC000023334034 570321218 /nfs/dbraw/zinc/32/12/18/570321218.db2.gz XUMWWGIYVGMOMC-UHFFFAOYSA-N -1 3 387.407 5.122 50 0 GKAAHM O=C(NC([N-]c1ccc(Cl)cc1)(C(F)(F)F)C(F)(F)F)c1ccccc1 ZINC000003138044 570330403 /nfs/dbraw/zinc/33/04/03/570330403.db2.gz IGNUPINGILIBAR-UHFFFAOYSA-N -1 3 396.718 5.003 50 0 GKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)C[C@@H](C)CC4)cc1C ZINC000004660872 570390673 /nfs/dbraw/zinc/39/06/73/570390673.db2.gz GYYONLFFDRQVTB-ZDUSSCGKSA-N -1 3 383.513 5.284 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50 0 GKAAHM Cc1cc([O-])c(C(C)(C)C)cc1S(=O)(=O)c1cc(C(C)(C)C)c(O)cc1C ZINC000002165921 209348834 /nfs/dbraw/zinc/34/88/34/209348834.db2.gz WXWMNIHSZVPJOL-UHFFFAOYSA-N -1 3 390.545 5.142 50 0 GKAAHM Cc1ccc(-c2csc([N-]C(=O)c3c(F)c(F)c(F)c(F)c3F)n2)c(C)c1 ZINC000002084877 209346057 /nfs/dbraw/zinc/34/60/57/209346057.db2.gz SKUBSHQQZFSWSR-UHFFFAOYSA-N -1 3 398.356 5.375 50 0 GKAAHM Cc1noc(-c2ccc(OCc3cc(C)ccc3C)cc2[O-])c1-c1ccccc1 ZINC000005424729 209232563 /nfs/dbraw/zinc/23/25/63/209232563.db2.gz ILULBQPLGGYBHF-UHFFFAOYSA-N -1 3 385.463 6.218 50 0 GKAAHM C=Cc1ccc(COc2ccc(-c3n[nH]cc3-c3ccccc3OC)c([O-])c2)cc1 ZINC000005885343 209230990 /nfs/dbraw/zinc/23/09/90/209230990.db2.gz HDUDQZMDYYJIIQ-UHFFFAOYSA-N -1 3 398.462 5.680 50 0 GKAAHM CCCCCCOc1ccc(-c2nc(-c3cc(Cl)ccc3[O-])cc(=O)o2)cc1 ZINC000001778474 212255298 /nfs/dbraw/zinc/25/52/98/212255298.db2.gz FIGFCBKRQHXDID-UHFFFAOYSA-N -1 3 399.874 5.687 50 0 GKAAHM FC(F)(F)c1cnc([N-]c2nc(-c3ccc(Cl)cc3)cs2)c(Cl)c1 ZINC000001385622 212241089 /nfs/dbraw/zinc/24/10/89/212241089.db2.gz FVVIZXPTIWKRBQ-UHFFFAOYSA-N -1 3 390.217 6.274 50 0 GKAAHM Cc1ccc(-c2n[n-]c3c2[C@@H](c2ccc(C)cc2)N(c2ccc(F)cc2)C3=O)cc1 ZINC000001084296 212215517 /nfs/dbraw/zinc/21/55/17/212215517.db2.gz RBNKPJQRXMSNJW-XMMPIXPASA-N -1 3 397.453 5.582 50 0 GKAAHM Cc1ccc(-c2[n-]nc3c2[C@@H](c2ccc(C)cc2)N(c2ccc(F)cc2)C3=O)cc1 ZINC000001084296 212215519 /nfs/dbraw/zinc/21/55/19/212215519.db2.gz RBNKPJQRXMSNJW-XMMPIXPASA-N -1 3 397.453 5.582 50 0 GKAAHM O=S(=O)([N-]c1ccc(Oc2ccc(F)cc2)cc1)c1ccc(Cl)cc1 ZINC000001027109 212206973 /nfs/dbraw/zinc/20/69/73/212206973.db2.gz DJFDAUQGWKZKIP-UHFFFAOYSA-N -1 3 377.824 5.072 50 0 GKAAHM COc1cccc([C@@H]2CC(c3ccccc3[O-])=Nc3ccccc3S2)c1OC ZINC000000984778 212201482 /nfs/dbraw/zinc/20/14/82/212201482.db2.gz NFGZRMDDMHKBTB-QFIPXVFZSA-N -1 3 391.492 5.767 50 0 GKAAHM CC(=O)c1c(C)oc2c1cc([O-])c1c2c(-c2ccccc2)nn1-c1ccccc1 ZINC000000977921 212201154 /nfs/dbraw/zinc/20/11/54/212201154.db2.gz YXKUXMVOGNCRKX-UHFFFAOYSA-N -1 3 382.419 5.655 50 0 GKAAHM O=c1cc(CSc2ccc(Cl)cc2)nc(Nc2nc3ccccc3o2)[n-]1 ZINC000009310537 212188874 /nfs/dbraw/zinc/18/88/74/212188874.db2.gz LKQHGWSHQKMFHW-UHFFFAOYSA-N -1 3 384.848 5.013 50 0 GKAAHM CCOc1ccc(-c2onc(C(F)(F)F)c2-c2ccc(OC)cc2)c([O-])c1 ZINC000005482828 212148697 /nfs/dbraw/zinc/14/86/97/212148697.db2.gz WSCRIPBESXNXBH-UHFFFAOYSA-N -1 3 379.334 5.140 50 0 GKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc3c(cc2C)oc2c3C[C@@H](C)CC2)c(C)c1 ZINC000004735805 204070793 /nfs/dbraw/zinc/07/07/93/204070793.db2.gz KKLHODJTQDDJHD-ZDUSSCGKSA-N -1 3 397.540 5.592 50 0 GKAAHM COc1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2cccs2)cc1 ZINC000005035378 204106109 /nfs/dbraw/zinc/10/61/09/204106109.db2.gz FWXRROMDELEBSX-UHFFFAOYSA-N -1 3 392.436 5.008 50 0 GKAAHM CCCCCC[C@H](C)n1[n-]c(=O)c2c1NC(=O)CS[C@H]2c1ccc(F)cc1 ZINC000005865415 204154860 /nfs/dbraw/zinc/15/48/60/204154860.db2.gz IWSYKMUPXXXUKF-UGSOOPFHSA-N -1 3 391.512 5.034 50 0 GKAAHM O=c1nc(C(Cl)=Cc2cccc(F)c2)[n-]c2scc(-c3cccs3)c21 ZINC000006653122 204188901 /nfs/dbraw/zinc/18/89/01/204188901.db2.gz DBLPATPDMQBQKM-JYRVWZFOSA-N -1 3 388.876 5.589 50 0 GKAAHM COc1ccccc1NC(=O)c1oc2ccccc2c1[N-]C(=O)c1cccs1 ZINC000006739237 204198564 /nfs/dbraw/zinc/19/85/64/204198564.db2.gz WFWJFHAGYJCVON-UHFFFAOYSA-N -1 3 392.436 5.008 50 0 GKAAHM Cc1ccc(Cn2c3ccccc3c(CNCc3cccc(C)c3)c2C(=O)[O-])cc1 ZINC000006899713 204222407 /nfs/dbraw/zinc/22/24/07/204222407.db2.gz MKYKRSTXRKYACK-UHFFFAOYSA-N -1 3 398.506 5.294 50 0 GKAAHM Cc1c2cc(Cl)c(C)cc2oc1C(=O)[N-]c1nc(-c2ccc(C)cc2)ns1 ZINC000008614057 204282284 /nfs/dbraw/zinc/28/22/84/204282284.db2.gz UVGBFQQQNRREHB-UHFFFAOYSA-N -1 3 397.887 5.782 50 0 GKAAHM COc1ccc([N-]c2nnc(-c3sc4ccccc4c3Cl)o2)cc1OC ZINC000009220542 204303693 /nfs/dbraw/zinc/30/36/93/204303693.db2.gz PUIQGRQFHWHHFP-UHFFFAOYSA-N -1 3 387.848 5.366 50 0 GKAAHM O=C(CCCSc1nnc([N-]c2ccccc2F)s1)c1cccs1 ZINC000010316206 204334013 /nfs/dbraw/zinc/33/40/13/204334013.db2.gz HXRDUAINAOFOTG-UHFFFAOYSA-N -1 3 379.507 5.238 50 0 GKAAHM Fc1ccccc1[N-]c1nnc(SCc2ncc(-c3ccccc3)o2)s1 ZINC000010316432 204334025 /nfs/dbraw/zinc/33/40/25/204334025.db2.gz JLZDEKRQCUQGDE-UHFFFAOYSA-N -1 3 384.461 5.368 50 0 GKAAHM Cc1c2ccc(C)cc2oc1C(=O)[N-]c1nonc1-c1ccc(OC(C)C)cc1 ZINC000011914657 204360700 /nfs/dbraw/zinc/36/07/00/204360700.db2.gz FZAGPGJRITVBSF-UHFFFAOYSA-N -1 3 391.427 5.139 50 0 GKAAHM O=C1[N-]C(SCc2ccccc2OC(F)F)=N[C@H]1c1ccc(Cl)cc1 ZINC000328589746 209142986 /nfs/dbraw/zinc/14/29/86/209142986.db2.gz SLGYMVBBEUZBBT-AWEZNQCLSA-N -1 3 382.819 5.242 50 0 GKAAHM O=C([N-]c1nc2c(cccc2C(F)(F)F)s1)c1nc2ccccc2s1 ZINC000077105646 205033763 /nfs/dbraw/zinc/03/37/63/205033763.db2.gz CAGNCHHXKUSYSC-UHFFFAOYSA-N -1 3 379.388 5.177 50 0 GKAAHM CCSc1ccc(Cl)cc1[N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000098064835 209135701 /nfs/dbraw/zinc/13/57/01/209135701.db2.gz ZJYJMZRHXOAGPZ-MDZDMXLPSA-N -1 3 388.341 5.518 50 0 GKAAHM Cc1cc([O-])c(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)n[nH]2)cc1Cl ZINC000072427463 205348830 /nfs/dbraw/zinc/34/88/30/205348830.db2.gz UIRYWDHPZGNDEW-UHFFFAOYSA-N -1 3 395.768 5.015 50 0 GKAAHM Cc1ccc(COc2ccc(C=Cc3cc(=O)[n-]c(-c4ccncc4)n3)cc2)cc1 ZINC000253630334 206148990 /nfs/dbraw/zinc/14/89/90/206148990.db2.gz CWBZFQQMXUXKFT-RMKNXTFCSA-N -1 3 395.462 5.302 50 0 GKAAHM COc1ccccc1-c1cnoc1-c1ccc(OCc2ccccc2F)cc1[O-] ZINC000005353452 206293015 /nfs/dbraw/zinc/29/30/15/206293015.db2.gz LHDIIGCXSLKEDX-UHFFFAOYSA-N -1 3 391.398 5.441 50 0 GKAAHM Cc1cc(C)c2c(c1)oc(=O)cc2-c1oc2ccccc2c1[N-]C(=O)c1ccco1 ZINC000011865178 206294546 /nfs/dbraw/zinc/29/45/46/206294546.db2.gz NLGOVALQJDKOQH-UHFFFAOYSA-N -1 3 399.402 5.668 50 0 GKAAHM COc1ccccc1-c1c[nH]nc1-c1ccc(OC/C=C/c2ccccc2)cc1[O-] ZINC000008740937 206295057 /nfs/dbraw/zinc/29/50/57/206295057.db2.gz ZMUPXQIHZPKQSR-JXMROGBWSA-N -1 3 398.462 5.550 50 0 GKAAHM Cc1ccccc1NC(=O)c1c([N-]C(=O)C(F)(F)F)sc2c1CCCCC2 ZINC000000837677 206326955 /nfs/dbraw/zinc/32/69/55/206326955.db2.gz XTBABNAIGQXLJL-UHFFFAOYSA-N -1 3 396.434 5.079 50 0 GKAAHM C[C@H](NC(=O)C[C@@H](c1ccccc1)c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000000987703 206339918 /nfs/dbraw/zinc/33/99/18/206339918.db2.gz BVUPPEKHPNFPLW-JXFKEZNVSA-N -1 3 379.887 5.445 50 0 GKAAHM Cc1c2cc(C)ccc2oc1C(=O)[N-]c1nnc(SCc2ccccc2)s1 ZINC000001128132 206355867 /nfs/dbraw/zinc/35/58/67/206355867.db2.gz NLBTXGMIQXMGDQ-UHFFFAOYSA-N -1 3 395.509 5.446 50 0 GKAAHM CN(Cc1ccccc1)C(=O)C[C@H](c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000001123506 206356204 /nfs/dbraw/zinc/35/62/04/206356204.db2.gz QAAJDKJKNQYHAB-HXUWFJFHSA-N -1 3 379.887 5.226 50 0 GKAAHM CC1=Nc2c(c(=O)[n-]n2C2CCCCCC2)[C@@H](c2ccc(OC(C)C)cc2)S1 ZINC000085412325 211176426 /nfs/dbraw/zinc/17/64/26/211176426.db2.gz JXPMENBBNBHPKC-HXUWFJFHSA-N -1 3 399.560 5.745 50 0 GKAAHM CSc1ccc(CNCc2c(C)n(-c3ccc(C)cc3)c(C)c2C(=O)[O-])cc1 ZINC000021025485 207224519 /nfs/dbraw/zinc/22/45/19/207224519.db2.gz VODYTBLHBPHDPL-UHFFFAOYSA-N -1 3 394.540 5.112 50 0 GKAAHM CCOC(=O)c1c([N-]C(=O)c2c(F)cccc2F)sc2c1Cc1ccccc1-2 ZINC000023436642 207277902 /nfs/dbraw/zinc/27/79/02/207277902.db2.gz KRTOCACHEXTCKS-UHFFFAOYSA-N -1 3 399.418 5.027 50 0 GKAAHM CC1=Nc2c(c(=O)[n-]n2C2CCCCCC2)[C@H](c2ccc(Cl)cc2)S1 ZINC000085412014 208100940 /nfs/dbraw/zinc/10/09/40/208100940.db2.gz XHOBOVRNWMCWGG-KRWDZBQOSA-N -1 3 375.925 5.611 50 0 GKAAHM C[C@H]([N-]S(=O)(=O)/C(Cl)=C(\Cl)c1ccccc1)c1cc2ccccc2o1 ZINC000098063078 208367792 /nfs/dbraw/zinc/36/77/92/208367792.db2.gz OSKIVNRPEFYKLI-GHXQLAGASA-N -1 3 396.295 5.217 50 0 GKAAHM Cc1[nH]nc(-c2ccc(OCc3ccccc3Cl)cc2[O-])c1-c1ccccc1 ZINC000008971205 221066581 /nfs/dbraw/zinc/06/65/81/221066581.db2.gz LRBNCXGTVPMJFL-UHFFFAOYSA-N -1 3 390.870 5.990 50 0 GKAAHM [O-]c1cc(OCc2ccccc2Cl)ccc1-c1n[nH]cc1-c1ccccc1 ZINC000008973034 221067142 /nfs/dbraw/zinc/06/71/42/221067142.db2.gz HETYYUNTFXKGJK-UHFFFAOYSA-N -1 3 376.843 5.682 50 0 GKAAHM Cc1cc(NC(=O)Cc2ccc(Cl)cc2)cc(-c2nc3ccccc3o2)c1[O-] ZINC000009053403 221069157 /nfs/dbraw/zinc/06/91/57/221069157.db2.gz RWSSCKPUVMEHKI-UHFFFAOYSA-N -1 3 392.842 5.343 50 0 GKAAHM Cc1ccc2c(-c3oc4ccccc4c3[N-]C(=O)c3ccco3)cc(=O)oc2c1C ZINC000011865175 221133542 /nfs/dbraw/zinc/13/35/42/221133542.db2.gz OOKLDDVCFKTTJL-UHFFFAOYSA-N -1 3 399.402 5.668 50 0 GKAAHM Cc1nnc([N-]C(=O)c2sc3cccc(F)c3c2COc2ccccc2)s1 ZINC000011215218 221112754 /nfs/dbraw/zinc/11/27/54/221112754.db2.gz MYPMSXJJCZOQJA-UHFFFAOYSA-N -1 3 399.472 5.032 50 0 GKAAHM Cc1c2cc(Cl)c(C)cc2oc1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000011914488 221136048 /nfs/dbraw/zinc/13/60/48/221136048.db2.gz NCDGXIFTFQHUFB-UHFFFAOYSA-N -1 3 389.889 5.535 50 0 GKAAHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000014232942 221306018 /nfs/dbraw/zinc/30/60/18/221306018.db2.gz SXOUICUVNHQBAY-UHFFFAOYSA-N -1 3 389.851 5.040 50 0 GKAAHM CCCOc1ccccc1[C@@H]1SCC(=O)Nc2c1c(=O)[n-]n2[C@@H](C)CCC ZINC000018180251 221389249 /nfs/dbraw/zinc/38/92/49/221389249.db2.gz ANRQTMZEWFHDRY-UGSOOPFHSA-N -1 3 389.521 5.163 50 0 GKAAHM O=C([N-]c1nc(-c2ccc(Cl)s2)cs1)c1cc(-c2ccco2)on1 ZINC000036709407 221866958 /nfs/dbraw/zinc/86/69/58/221866958.db2.gz ROLCHQYEKVDXJS-UHFFFAOYSA-N -1 3 377.834 5.025 50 0 GKAAHM CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2c[n-]c3ccccc3c2=O)cc1O ZINC000052509463 222006098 /nfs/dbraw/zinc/00/60/98/222006098.db2.gz PURKAOJPTOLRMP-UHFFFAOYSA-N -1 3 392.499 5.081 50 0 fda GKAAHM CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2cnc3ccccc3c2[O-])cc1O ZINC000052509463 222006101 /nfs/dbraw/zinc/00/61/01/222006101.db2.gz PURKAOJPTOLRMP-UHFFFAOYSA-N -1 3 392.499 5.081 50 0 fda GKAAHM [O-]C(=NOCc1ccc(C(F)(F)F)cc1)Nc1ncc(-c2ccccc2)s1 ZINC000096012670 222370326 /nfs/dbraw/zinc/37/03/26/222370326.db2.gz QLZSSJFCVONLMQ-UHFFFAOYSA-N -1 3 393.390 5.082 50 0 GKAAHM O=C([N-]OCc1ccc(C(F)(F)F)cc1)Nc1ncc(-c2ccccc2)s1 ZINC000096012670 222370331 /nfs/dbraw/zinc/37/03/31/222370331.db2.gz QLZSSJFCVONLMQ-UHFFFAOYSA-N -1 3 393.390 5.082 50 0 GKAAHM CCOC(=O)c1c([N-]C(=O)C(F)(F)F)sc(C)c1-c1ccc(Cl)cc1 ZINC000000669041 570215496 /nfs/dbraw/zinc/21/54/96/570215496.db2.gz LDHROGOYWUKNKW-UHFFFAOYSA-N -1 3 391.798 5.054 50 0 GKAAHM COc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3[O-])n2)c(OC)c1 ZINC000006040794 570219746 /nfs/dbraw/zinc/21/97/46/570219746.db2.gz XUVBQIJZUNYUNQ-UHFFFAOYSA-N -1 3 383.447 5.805 50 0 biogenic GKAAHM Cc1ccc(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)c([O-])c1 ZINC000048260336 570224028 /nfs/dbraw/zinc/22/40/28/570224028.db2.gz BMQXCCHNBDPCKT-UHFFFAOYSA-N -1 3 376.437 5.336 50 0 GKAAHM COc1cc(Br)cc(-c2nc3cc(C(C)(C)C)ccc3o2)c1[O-] ZINC000023307405 570229237 /nfs/dbraw/zinc/22/92/37/570229237.db2.gz ZTNCDELGTHGPMG-UHFFFAOYSA-N -1 3 376.250 5.269 50 0 GKAAHM C[C@@H](N[C@@H](C)c1cccs1)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000012820038 570233117 /nfs/dbraw/zinc/23/31/17/570233117.db2.gz HTTYVVSZBCOYDB-QWHCGFSZSA-N -1 3 381.526 5.125 50 0 GKAAHM COc1ccc([C@H]2CC(c3ccccc3[O-])=Nc3ccccc3S2)cc1OC ZINC000000984740 570233219 /nfs/dbraw/zinc/23/32/19/570233219.db2.gz QLKKMVXLSTXYGX-HSZRJFAPSA-N -1 3 391.492 5.767 50 0 GKAAHM C[C@@H](NC(=O)C[C@H](c1ccccc1)c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000000987706 570233248 /nfs/dbraw/zinc/23/32/48/570233248.db2.gz BVUPPEKHPNFPLW-OXQOHEQNSA-N -1 3 379.887 5.445 50 0 GKAAHM C[C@@H](N[C@H](C)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1)c1cccs1 ZINC000012820035 570233347 /nfs/dbraw/zinc/23/33/47/570233347.db2.gz HTTYVVSZBCOYDB-CHWSQXEVSA-N -1 3 381.526 5.125 50 0 GKAAHM COc1ccc2c(c1)-c1c(sn(-c3cc(C)ccc3[O-])c1=S)C(C)(C)N2 ZINC000000985231 570233345 /nfs/dbraw/zinc/23/33/45/570233345.db2.gz WQXFNJRHZCEJAY-UHFFFAOYSA-N -1 3 384.526 5.619 50 0 GKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)C[C@H](C)CC4)c(C)c1 ZINC000002184781 570277876 /nfs/dbraw/zinc/27/78/76/570277876.db2.gz SKXKEFAQJKGRCS-CYBMUJFWSA-N -1 3 383.513 5.284 50 0 GKAAHM Cc1oc(-c2ccccc2)nc1CSc1nnc([N-]c2ccccc2F)s1 ZINC000012263936 570279430 /nfs/dbraw/zinc/27/94/30/570279430.db2.gz XESXQLZPXBCAAM-UHFFFAOYSA-N -1 3 398.488 5.677 50 0 GKAAHM CCc1ccc2oc(C(=O)[N-]c3nc(-c4ccc(C)s4)ns3)c(C)c2c1 ZINC000021659731 570293818 /nfs/dbraw/zinc/29/38/18/570293818.db2.gz IDZFCMJSOPEUAD-UHFFFAOYSA-N -1 3 383.498 5.444 50 0 GKAAHM O=C(NC([N-]c1cccc(Cl)c1)(C(F)(F)F)C(F)(F)F)c1ccccc1 ZINC000003138045 570330407 /nfs/dbraw/zinc/33/04/07/570330407.db2.gz HDMBBZVCMZXBAF-UHFFFAOYSA-N -1 3 396.718 5.003 50 0 GKAAHM O=C([O-])[C@@H](CC(=O)c1ccc(C2CCCCC2)cc1)NCc1ccc(Cl)cc1 ZINC000004118415 570358193 /nfs/dbraw/zinc/35/81/93/570358193.db2.gz RVYGDARILBXHBS-OAQYLSRUSA-N -1 3 399.918 5.204 50 0 GKAAHM CCOc1cc(/C=C/c2ccc3cccc([O-])c3n2)cc(Cl)c1OC(C)=O ZINC000004151020 570360098 /nfs/dbraw/zinc/36/00/98/570360098.db2.gz ITOZZWUUPKEWLF-VQHVLOKHSA-N -1 3 383.831 5.088 50 0 GKAAHM CCCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc(C(C)(C)C)cc2)N1 ZINC000004309913 570367192 /nfs/dbraw/zinc/36/71/92/570367192.db2.gz XDFVGJBWLYRNLR-IBGZPJMESA-N -1 3 384.442 5.017 50 0 GKAAHM Cc1ccc(-c2n[n-]c3c2[C@H](c2ccccc2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000004928639 570371259 /nfs/dbraw/zinc/37/12/59/570371259.db2.gz LKBTVPVBTLFQEU-QHCPKHFHSA-N -1 3 399.881 5.788 50 0 GKAAHM Cc1ccc(-c2[n-]nc3c2[C@H](c2ccccc2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000004928639 570371263 /nfs/dbraw/zinc/37/12/63/570371263.db2.gz LKBTVPVBTLFQEU-QHCPKHFHSA-N -1 3 399.881 5.788 50 0 GKAAHM Cc1c2ccccc2oc1C(=O)[N-]c1nnc(SCc2cccs2)s1 ZINC000008389738 570377979 /nfs/dbraw/zinc/37/79/79/570377979.db2.gz WYBGMMOXVKEJRP-UHFFFAOYSA-N -1 3 387.511 5.199 50 0 GKAAHM S=c1[n-]c(-c2cccs2)nn1CN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000024084406 570378457 /nfs/dbraw/zinc/37/84/57/570378457.db2.gz NMUHMTPEYGQDEI-CYBMUJFWSA-N -1 3 399.570 5.073 50 0 GKAAHM CCCSc1nnc([N-]C(=O)c2oc3cc(C)c(Cl)cc3c2C)s1 ZINC000004671415 570392229 /nfs/dbraw/zinc/39/22/29/570392229.db2.gz QNMLHYGHPYIYMH-UHFFFAOYSA-N -1 3 381.910 5.309 50 0 GKAAHM CN(Cc1cccc(Cl)c1Cl)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000024816444 570393972 /nfs/dbraw/zinc/39/39/72/570393972.db2.gz YWCRSXRUIYFFOR-UHFFFAOYSA-N -1 3 388.254 5.020 50 0 GKAAHM O=c1[n-]c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2sc3c(c21)CCCC3 ZINC000004701821 570395028 /nfs/dbraw/zinc/39/50/28/570395028.db2.gz CNQGEYWFERYZRI-UHFFFAOYSA-N -1 3 382.872 5.444 50 0 GKAAHM Cc1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2cccs2)cc1 ZINC000005035561 570402780 /nfs/dbraw/zinc/40/27/80/570402780.db2.gz NTOONRJEWOKUDC-UHFFFAOYSA-N -1 3 376.437 5.307 50 0 GKAAHM CCCOc1c(Cl)cc(C(=O)[N-]c2nonc2-c2ccccc2)cc1Cl ZINC000027663404 570438664 /nfs/dbraw/zinc/43/86/64/570438664.db2.gz FXDYDCAIBFVXDG-UHFFFAOYSA-N -1 3 392.242 5.085 50 0 GKAAHM Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(=O)[nH]c(=S)[n-]c3n2)cc1 ZINC000005490747 570442173 /nfs/dbraw/zinc/44/21/73/570442173.db2.gz APBXLKHPQHMFON-UHFFFAOYSA-N -1 3 379.872 5.277 50 0 GKAAHM CCc1ccc(CC)c(-c2cc(C(=O)[N-]c3nc4ccc(F)cc4s3)no2)c1 ZINC000027793475 570443058 /nfs/dbraw/zinc/44/30/58/570443058.db2.gz UUFXKISCBAYUAP-UHFFFAOYSA-N -1 3 395.459 5.468 50 0 GKAAHM CCCOc1ccc(-c2nonc2[N-]C(=O)c2oc3cc(C)ccc3c2C)cc1 ZINC000011914658 570447664 /nfs/dbraw/zinc/44/76/64/570447664.db2.gz WMFOADWQMVKFAH-UHFFFAOYSA-N -1 3 391.427 5.141 50 0 GKAAHM [O-]c1cc(OCc2ccc(Cl)cc2)ccc1-c1n[nH]cc1-c1ccccc1 ZINC000005210222 570507292 /nfs/dbraw/zinc/50/72/92/570507292.db2.gz FRQSVHCJTOIJCQ-UHFFFAOYSA-N -1 3 376.843 5.682 50 0 GKAAHM CCC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(-c5ccccc5[O-])nc4c23)C1 ZINC000002798104 570516425 /nfs/dbraw/zinc/51/64/25/570516425.db2.gz VNRVGUMNKQAVBT-CYBMUJFWSA-N -1 3 392.528 5.253 50 0 GKAAHM Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccccc2Cl)c1C ZINC000064845903 570565670 /nfs/dbraw/zinc/56/56/70/570565670.db2.gz RTADIJKMGHYQIZ-UHFFFAOYSA-N -1 3 396.921 5.091 50 0 GKAAHM CN(Cc1nc(=O)c2c(-c3cccc(Cl)c3)csc2[n-]1)C1CCCCC1 ZINC000036204064 570568205 /nfs/dbraw/zinc/56/82/05/570568205.db2.gz FYMQGKUCTZYKAX-UHFFFAOYSA-N -1 3 387.936 5.070 50 0 GKAAHM Cc1noc(-c2ccc(OCc3ccccc3F)cc2[O-])c1-c1ccccc1 ZINC000005428311 570590835 /nfs/dbraw/zinc/59/08/35/570590835.db2.gz YDCAYEUTOHXCGV-UHFFFAOYSA-N -1 3 375.399 5.741 50 0 GKAAHM Cc1noc(-c2ccc(OCc3ccc(Cl)cc3)cc2[O-])c1-c1ccccc1 ZINC000005484618 570612376 /nfs/dbraw/zinc/61/23/76/570612376.db2.gz LYABBXIJLBQOPL-UHFFFAOYSA-N -1 3 391.854 6.255 50 0 GKAAHM CCCCCC1CCC(c2ccc(-c3noc(-c4ccc([O-])cc4)n3)cc2)CC1 ZINC000004599576 570633022 /nfs/dbraw/zinc/63/30/22/570633022.db2.gz GEJUAIIVWXDDNU-UHFFFAOYSA-N -1 3 390.527 6.963 50 0 GKAAHM Cc1c2ccccc2oc1C(=O)[N-]c1nc(SCc2ccccc2)ns1 ZINC000006841221 570643145 /nfs/dbraw/zinc/64/31/45/570643145.db2.gz LBCNXOQYUVXEKY-UHFFFAOYSA-N -1 3 381.482 5.137 50 0 GKAAHM Cc1cc(NC(=O)c2ccccc2)cc(-c2nc3cc(Cl)ccc3o2)c1[O-] ZINC000012651573 570695609 /nfs/dbraw/zinc/69/56/09/570695609.db2.gz WDTGRXLSXROYDJ-UHFFFAOYSA-N -1 3 378.815 5.415 50 0 GKAAHM Cc1ccccc1C(=O)Nc1cc(C)c([O-])c(-c2nc3cc(Cl)ccc3o2)c1 ZINC000012856575 570724709 /nfs/dbraw/zinc/72/47/09/570724709.db2.gz GUKSNVPCGUEAHT-UHFFFAOYSA-N -1 3 392.842 5.723 50 0 GKAAHM CC(C)C(=O)Oc1ccc2c(c1)oc(C(C)C)c(-c1nc3ccccc3[n-]1)c2=O ZINC000000945292 570734181 /nfs/dbraw/zinc/73/41/81/570734181.db2.gz SXBVXMLJZLQZPF-UHFFFAOYSA-N -1 3 390.439 5.021 50 0 biogenic GKAAHM CSc1cccc(N[C@@H](C)c2nc(=O)c3c(-c4cccs4)csc3[n-]2)c1 ZINC000007002616 570737225 /nfs/dbraw/zinc/73/72/25/570737225.db2.gz SYRNFSJVQGFKCI-NSHDSACASA-N -1 3 399.566 5.608 50 0 GKAAHM Cc1ccc(N[P@@]([O-])(=CC(F)(F)F)Oc2ccc(Cl)cc2)cc1C ZINC000096558459 570759211 /nfs/dbraw/zinc/75/92/11/570759211.db2.gz NEAQDGBPODSSRI-DEOSSOPVSA-N -1 3 377.730 6.203 50 0 GKAAHM Cc1ccc(N[P@]([O-])(=CC(F)(F)F)Oc2ccc(Cl)cc2)cc1C ZINC000096558459 570759217 /nfs/dbraw/zinc/75/92/17/570759217.db2.gz NEAQDGBPODSSRI-DEOSSOPVSA-N -1 3 377.730 6.203 50 0 GKAAHM CSc1ccccc1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000004517378 570833290 /nfs/dbraw/zinc/83/32/90/570833290.db2.gz YPLKRDWDYPBLBL-UHFFFAOYSA-N -1 3 392.505 5.643 50 0 GKAAHM CSc1cccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)c1 ZINC000004517484 570834191 /nfs/dbraw/zinc/83/41/91/570834191.db2.gz VYVCHWKWQUIQEN-UHFFFAOYSA-N -1 3 392.505 5.643 50 0 GKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000004521962 570842592 /nfs/dbraw/zinc/84/25/92/570842592.db2.gz FQVDJRIGAKBRKW-UHFFFAOYSA-N -1 3 381.541 5.264 50 0 GKAAHM CC(C)CN1C(=O)/C(=C\c2cc(Cl)ccc2[O-])SC1=Nc1ccccc1 ZINC000004544183 570856249 /nfs/dbraw/zinc/85/62/49/570856249.db2.gz WRGOQCHLFHCCGS-AJNDAPIGSA-N -1 3 386.904 5.306 50 0 GKAAHM COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCCC2)cc1O ZINC000071283393 570887021 /nfs/dbraw/zinc/88/70/21/570887021.db2.gz VUXGCRAIWGOYTO-GOSISDBHSA-N -1 3 387.505 5.084 50 0 GKAAHM CCN(CC)c1ccc2cc(-c3nc(-c4ccccc4)cs3)/c(=N/[O-])oc2c1 ZINC000004561749 570889039 /nfs/dbraw/zinc/88/90/39/570889039.db2.gz VWXFNOUPEGDYPA-FLFQWRMESA-N -1 3 391.496 5.359 50 0 GKAAHM O=C(Nc1ccccc1)c1ccc(CSc2n[n-]c(-c3cccs3)n2)cc1 ZINC000010219529 570892702 /nfs/dbraw/zinc/89/27/02/570892702.db2.gz NFAPKHUTHXXYQY-UHFFFAOYSA-N -1 3 392.509 5.078 50 0 GKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc3c(cc2C)oc2c3CCCC2)c(C)c1 ZINC000004735803 570950326 /nfs/dbraw/zinc/95/03/26/570950326.db2.gz KYRAMNFQNCQKJQ-UHFFFAOYSA-N -1 3 383.513 5.346 50 0 GKAAHM CCOc1ccc(-c2nonc2[N-]C(=O)c2sc3ccccc3c2Cl)cc1 ZINC000012062731 570957642 /nfs/dbraw/zinc/95/76/42/570957642.db2.gz QKYJQFIQRIADSI-UHFFFAOYSA-N -1 3 399.859 5.256 50 0 GKAAHM CCCOc1ccc(-c2nonc2[N-]C(=O)c2oc3ccc(C)cc3c2C)cc1 ZINC000012062992 570957703 /nfs/dbraw/zinc/95/77/03/570957703.db2.gz ZCCUREDDVFCKAT-UHFFFAOYSA-N -1 3 391.427 5.141 50 0 GKAAHM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccccc3Cl)c(C)s2)sc1C ZINC000033290100 570960709 /nfs/dbraw/zinc/96/07/09/570960709.db2.gz MXIVONAIVVZCNH-UHFFFAOYSA-N -1 3 398.962 5.251 50 0 GKAAHM Cc1c(CN[C@@H](C)c2ccccc2)c(C(=O)[O-])c(C)n1Cc1ccccc1Cl ZINC000015777031 210168906 /nfs/dbraw/zinc/16/89/06/210168906.db2.gz IHQCWTLIXSVUOV-HNNXBMFYSA-N -1 3 396.918 5.356 50 0 GKAAHM Cc1ccc(-c2cc([N-]C(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)on2)cc1 ZINC000008915733 209804581 /nfs/dbraw/zinc/80/45/81/209804581.db2.gz OHIJOYDCDSPWKZ-INIZCTEOSA-N -1 3 378.472 5.354 50 0 GKAAHM Cc1ccc(C)c([N-]S(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1 ZINC000002494934 209368556 /nfs/dbraw/zinc/36/85/56/209368556.db2.gz COJYIFKJMHOZJL-UHFFFAOYSA-N -1 3 387.589 6.474 50 0 GKAAHM O=C([N-]C1=NC2=C(CCCC2)C2(CCCCC2)S1)Nc1cccc(Cl)c1 ZINC000002208017 209349556 /nfs/dbraw/zinc/34/95/56/209349556.db2.gz JQIRNDNLLHWUHI-UHFFFAOYSA-N -1 3 389.952 6.095 50 0 GKAAHM [O-]c1ccccc1-c1ccc2cc(Br)cc(Br)c2n1 ZINC000001395345 209325061 /nfs/dbraw/zinc/32/50/61/209325061.db2.gz QRGPKNOZEUPVIL-UHFFFAOYSA-N -1 3 379.051 5.132 50 0 GKAAHM COc1ccccc1-c1c[nH]nc1-c1ccc(OCc2ccccc2C)cc1[O-] ZINC000005163701 212146114 /nfs/dbraw/zinc/14/61/14/212146114.db2.gz QTEDZZZEEFGQKW-UHFFFAOYSA-N -1 3 386.451 5.345 50 0 GKAAHM Cc1ccc2c(c1)oc(=O)cc2-c1oc2ccccc2c1[N-]C(=O)c1ccco1 ZINC000006661208 212147752 /nfs/dbraw/zinc/14/77/52/212147752.db2.gz YJZOANYBPWWTFP-UHFFFAOYSA-N -1 3 385.375 5.360 50 0 GKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc4ccccc4c3)cc2)cc1 ZINC000000991947 203871889 /nfs/dbraw/zinc/87/18/89/203871889.db2.gz OUQOGTKIPYQGMD-UHFFFAOYSA-N -1 3 389.476 5.741 50 0 GKAAHM CSc1ccccc1[N-]C(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1 ZINC000004881174 204085372 /nfs/dbraw/zinc/08/53/72/204085372.db2.gz 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Cc1ccccc1-c1noc(CSc2nnc([N-]c3ccccc3F)s2)n1 ZINC000010077609 204329796 /nfs/dbraw/zinc/32/97/96/204329796.db2.gz DIAFTTWJCIGBHG-UHFFFAOYSA-N -1 3 399.476 5.072 50 0 GKAAHM Cc1ccc(-c2cc([N-]C(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)on2)cc1 ZINC000011914821 204361192 /nfs/dbraw/zinc/36/11/92/204361192.db2.gz XZZNUBYJHONOBQ-HNNXBMFYSA-N -1 3 384.863 5.326 50 0 GKAAHM Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(C)cc2Cl)on1 ZINC000064845481 205198266 /nfs/dbraw/zinc/19/82/66/205198266.db2.gz MTLDOIUFDURTAO-UHFFFAOYSA-N -1 3 396.921 5.091 50 0 GKAAHM COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCCC2)ccc1O ZINC000071279923 205279364 /nfs/dbraw/zinc/27/93/64/205279364.db2.gz APEHUUFPFDXJHK-SFHVURJKSA-N -1 3 387.505 5.084 50 0 GKAAHM CCc1ccc2oc(C(=O)Nc3ccc(-c4cc(=O)[n-]c(C)n4)cc3)c(C)c2c1 ZINC000253536049 206149696 /nfs/dbraw/zinc/14/96/96/206149696.db2.gz FRXCIXMIQVIPMC-UHFFFAOYSA-N -1 3 387.439 5.027 50 0 GKAAHM COc1ccc(-c2c(C)noc2-c2ccc(OCc3ccccc3)cc2[O-])cc1 ZINC000006719437 206294491 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COc1ccccc1-c1cnoc1-c1ccc(OCc2ccc(C)cc2)cc1[O-] ZINC000005450783 570599091 /nfs/dbraw/zinc/59/90/91/570599091.db2.gz WSPMXKZPDDMFDW-UHFFFAOYSA-N -1 3 387.435 5.610 50 0 GKAAHM COc1ccc(-c2cnoc2-c2ccc(OCc3ccccc3F)cc2[O-])cc1 ZINC000005451365 570599517 /nfs/dbraw/zinc/59/95/17/570599517.db2.gz LWMPAJHSIRQHAL-UHFFFAOYSA-N -1 3 391.398 5.441 50 0 GKAAHM [O-]c1ccc(C2N(c3ccccc3)CCN2c2ccccc2)cc1Br ZINC000003139983 570709124 /nfs/dbraw/zinc/70/91/24/570709124.db2.gz HHOFXKNHRIKXSV-UHFFFAOYSA-N -1 3 395.300 5.180 50 0 GKAAHM Cc1ccc(-c2n[n-]c3c2[C@@H](c2ccc(C)cc2)N(c2ccccc2)C3=O)cc1 ZINC000004386786 570731121 /nfs/dbraw/zinc/73/11/21/570731121.db2.gz DGKPKKSFPGDPDZ-XMMPIXPASA-N -1 3 379.463 5.443 50 0 GKAAHM Cc1ccc(-c2[n-]nc3c2[C@@H](c2ccc(C)cc2)N(c2ccccc2)C3=O)cc1 ZINC000004386786 570731125 /nfs/dbraw/zinc/73/11/25/570731125.db2.gz DGKPKKSFPGDPDZ-XMMPIXPASA-N -1 3 379.463 5.443 50 0 GKAAHM [O-]c1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(Br)cc32)cc1 ZINC000000958662 570739173 /nfs/dbraw/zinc/73/91/73/570739173.db2.gz HUBXCJZNEDIGHE-FCDQGJHFSA-N -1 3 392.252 5.800 50 0 GKAAHM Cc1cc2nc(-c3cc(NC(=O)c4cccs4)cc(C)c3[O-])oc2cc1C ZINC000013689371 570775043 /nfs/dbraw/zinc/77/50/43/570775043.db2.gz DWIOUSUUECCQIR-UHFFFAOYSA-N -1 3 378.453 5.439 50 0 GKAAHM Cc1ccc([C@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@@H](C)C3)cc1 ZINC000102602365 570853659 /nfs/dbraw/zinc/85/36/59/570853659.db2.gz RIQHAZDZIQXIDJ-MGPUTAFESA-N -1 3 385.467 5.346 50 0 GKAAHM COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCCC2)cc1O ZINC000071283392 570887067 /nfs/dbraw/zinc/88/70/67/570887067.db2.gz VUXGCRAIWGOYTO-SFHVURJKSA-N -1 3 387.505 5.084 50 0 GKAAHM CSc1n[n-]c(-c2sc3cc(C(F)(F)F)cnc3c2-c2cccs2)n1 ZINC000005720600 570903387 /nfs/dbraw/zinc/90/33/87/570903387.db2.gz BQAGZUCBEOZSHJ-UHFFFAOYSA-N -1 3 398.460 5.551 50 0 GKAAHM [O-]c1ccc2ccccc2c1-c1nc2ncccn2c1Nc1ccc(Cl)cc1 ZINC000004734016 570948585 /nfs/dbraw/zinc/94/85/85/570948585.db2.gz BDDOZQUKCFITKL-UHFFFAOYSA-N -1 3 386.842 5.652 50 0 GKAAHM Cc1cc(NC(=O)c2cccs2)cc(-c2nc3cc(Cl)ccc3o2)c1[O-] ZINC000004736802 570952250 /nfs/dbraw/zinc/95/22/50/570952250.db2.gz WGPONKJPCPLWSY-UHFFFAOYSA-N -1 3 384.844 5.476 50 0 GKAAHM CN(Cn1nc(-c2cccs2)[n-]c1=S)C(c1ccccc1)c1ccccc1 ZINC000045773863 570996238 /nfs/dbraw/zinc/99/62/38/570996238.db2.gz RIVSZMCVJUPVIT-UHFFFAOYSA-N -1 3 392.553 5.348 50 0 GKAAHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1 ZINC000014257219 210114527 /nfs/dbraw/zinc/11/45/27/210114527.db2.gz CPICWPCYGRIEEP-UHFFFAOYSA-N -1 3 395.524 5.265 50 0 GKAAHM Cc1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3Cl)c2)cs1 ZINC000013358135 210059008 /nfs/dbraw/zinc/05/90/08/210059008.db2.gz SJSDEPRPLVJVMH-UHFFFAOYSA-N -1 3 396.896 5.020 50 0 GKAAHM O=c1oc2ccc(Cc3ccccc3Cl)cc2cc1-c1nc2ccccc2[n-]1 ZINC000013281915 210056759 /nfs/dbraw/zinc/05/67/59/210056759.db2.gz VTDYRVKWQOOQHT-UHFFFAOYSA-N -1 3 386.838 5.581 50 0 GKAAHM O=C(Nc1ccccc1[O-])c1ccccc1CSc1nc2ccccc2s1 ZINC000012998921 210043646 /nfs/dbraw/zinc/04/36/46/210043646.db2.gz JPJUVXCJMNIRKY-UHFFFAOYSA-N -1 3 392.505 5.547 50 0 GKAAHM C[C@@H](c1nc(=O)c2c(-c3ccco3)csc2[n-]1)N(C)Cc1ccccc1Cl ZINC000012812162 210013607 /nfs/dbraw/zinc/01/36/07/210013607.db2.gz IGGNQHSHEOGGHH-LBPRGKRZSA-N -1 3 399.903 5.091 50 0 GKAAHM Cc1ccc2c(c1)n(Cc1ccccc1)c(C(=O)[O-])c2CNCc1cccc(C)c1 ZINC000006795447 209686880 /nfs/dbraw/zinc/68/68/80/209686880.db2.gz BZFWASIJFUUQQZ-UHFFFAOYSA-N -1 3 398.506 5.294 50 0 GKAAHM O=C([N-]c1cc(-c2ccc(Cl)cc2)no1)Nc1ccc(Cl)c(Cl)c1 ZINC000002657925 209375810 /nfs/dbraw/zinc/37/58/10/209375810.db2.gz PMZGLDCITUJGKD-UHFFFAOYSA-N -1 3 382.634 5.946 50 0 GKAAHM Cc1nn(-c2c(Cl)cc(Cl)cc2Cl)c(C)c1Oc1ccccc1[O-] ZINC000001192096 209312214 /nfs/dbraw/zinc/31/22/14/209312214.db2.gz WGXFETUUETVXAD-UHFFFAOYSA-N -1 3 383.662 5.947 50 0 GKAAHM Cc1noc(-c2ccc(OCc3ccccc3Cl)cc2[O-])c1-c1ccccc1 ZINC000005424113 209231808 /nfs/dbraw/zinc/23/18/08/209231808.db2.gz QQSQBKZTVUUDCA-UHFFFAOYSA-N -1 3 391.854 6.255 50 0 GKAAHM COc1ccc(-c2c[nH]nc2-c2ccc(OCc3ccccc3F)cc2[O-])cc1 ZINC000005176842 209231882 /nfs/dbraw/zinc/23/18/82/209231882.db2.gz PVUJWCOHGNSRNH-UHFFFAOYSA-N -1 3 390.414 5.176 50 0 GKAAHM CCCCCC(=O)NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000002052132 212262364 /nfs/dbraw/zinc/26/23/64/212262364.db2.gz ADNNHQYDFXVGTM-UHFFFAOYSA-N -1 3 399.541 5.062 50 0 GKAAHM C[C@H](NC(=O)C[C@H](c1ccccc1)c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000000987705 212203212 /nfs/dbraw/zinc/20/32/12/212203212.db2.gz BVUPPEKHPNFPLW-OXJNMPFZSA-N -1 3 379.887 5.445 50 0 GKAAHM [O-]c1cc(OCc2ccccc2F)ccc1-c1n[nH]cc1-c1ccc(Cl)cc1 ZINC000008996395 212148301 /nfs/dbraw/zinc/14/83/01/212148301.db2.gz LFADQPVQTFDSJU-UHFFFAOYSA-N -1 3 394.833 5.821 50 0 GKAAHM Cc1noc(-c2ccc(OCc3cccc(Cl)c3)cc2[O-])c1-c1ccccc1 ZINC000005452125 212147537 /nfs/dbraw/zinc/14/75/37/212147537.db2.gz SHIGRSFAKJHQRU-UHFFFAOYSA-N -1 3 391.854 6.255 50 0 GKAAHM CCCCCCc1cc2cc(C(=O)Nc3ccc(Cl)cc3)c(=N)oc2cc1[O-] ZINC000004772856 204074500 /nfs/dbraw/zinc/07/45/00/204074500.db2.gz CFJLRXZJBIEEHM-UHFFFAOYSA-N -1 3 398.890 5.646 50 0 GKAAHM O=C([N-]c1c2ccccc2oc1C(=O)Nc1ccccc1F)c1cccs1 ZINC000005035434 204106273 /nfs/dbraw/zinc/10/62/73/204106273.db2.gz WNVXRHXZXLRVER-UHFFFAOYSA-N -1 3 380.400 5.138 50 0 GKAAHM FC(F)(F)c1cnc2c(c1)sc(-c1n[nH]c(=S)[n-]1)c2-c1cccs1 ZINC000005757173 204150400 /nfs/dbraw/zinc/15/04/00/204150400.db2.gz LAHJCTCGHBVMBV-UHFFFAOYSA-N -1 3 384.433 5.117 50 0 GKAAHM COc1ccc(-c2cc(-c3ccc(OC)cc3)nc(-c3ccccc3[O-])c2)cc1 ZINC000006040787 204162934 /nfs/dbraw/zinc/16/29/34/204162934.db2.gz PLLFKOOLFNRIBL-UHFFFAOYSA-N -1 3 383.447 5.805 50 0 biogenic GKAAHM Cc1ccc(CNCc2c3ccc(C)cc3n(Cc3ccccc3)c2C(=O)[O-])cc1 ZINC000006795445 204206655 /nfs/dbraw/zinc/20/66/55/204206655.db2.gz FBDCSAKMOGHMCD-UHFFFAOYSA-N -1 3 398.506 5.294 50 0 GKAAHM Cc1ccc2c(c1)n(Cc1ccccc1)c(C(=O)[O-])c2CNCc1ccccc1C ZINC000006795461 204207334 /nfs/dbraw/zinc/20/73/34/204207334.db2.gz DWDGUGQOGPBRHZ-UHFFFAOYSA-N -1 3 398.506 5.294 50 0 GKAAHM Cc1c2cc(C)ccc2oc1C(=O)[N-]c1nonc1-c1ccc(OC(C)C)cc1 ZINC000011913974 204361253 /nfs/dbraw/zinc/36/12/53/204361253.db2.gz XFDZNIPHMVZETL-UHFFFAOYSA-N -1 3 391.427 5.139 50 0 GKAAHM O=C1[N-]C(SCc2ccccc2OC(F)F)=N[C@@H]1c1ccc(Cl)cc1 ZINC000328589747 209141688 /nfs/dbraw/zinc/14/16/88/209141688.db2.gz SLGYMVBBEUZBBT-CQSZACIVSA-N -1 3 382.819 5.242 50 0 GKAAHM O=c1nc(CN2CCC[C@@H]2c2cccs2)[n-]c2sc(-c3ccccc3)cc21 ZINC000058160585 205165709 /nfs/dbraw/zinc/16/57/09/205165709.db2.gz IAFWJLWAEINAPL-MRXNPFEDSA-N -1 3 393.537 5.050 50 0 GKAAHM Cc1nc(-c2cccs2)sc1C(=O)[N-]c1ccccc1SC(F)F ZINC000017367770 207089712 /nfs/dbraw/zinc/08/97/12/207089712.db2.gz CIIUPBUUEOZJCY-UHFFFAOYSA-N -1 3 382.482 5.747 50 0 GKAAHM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000033048499 210619745 /nfs/dbraw/zinc/61/97/45/210619745.db2.gz UBANNLBTAOZBQO-UHFFFAOYSA-N -1 3 385.451 5.421 50 0 GKAAHM COc1cccc(-c2nc3ccc(-c4cc(C)c(OC)c(C)c4)cc3o2)c1[O-] ZINC000023441486 207278583 /nfs/dbraw/zinc/27/85/83/207278583.db2.gz OGIVDUQBWZUFQS-UHFFFAOYSA-N -1 3 375.424 5.501 50 0 biogenic GKAAHM Cc1c2cc(Cl)ccc2oc1C(=O)[N-]c1nonc1-c1ccc(C)c(C)c1 ZINC000027664217 207328486 /nfs/dbraw/zinc/32/84/86/207328486.db2.gz ZFHGUFKJTKMXPI-UHFFFAOYSA-N -1 3 381.819 5.314 50 0 GKAAHM [O-]c1cc(O)ccc1-c1csc(COc2ccccc2-c2ccccc2)n1 ZINC000078624023 208062942 /nfs/dbraw/zinc/06/29/42/208062942.db2.gz TYBRSJNXPWCDMC-UHFFFAOYSA-N -1 3 375.449 5.467 50 0 GKAAHM Cc1cccc(-c2c[nH]nc2[C@@H]2CCCN(Cc3ccc([O-])c(Cl)c3)C2)c1 ZINC000020271729 210327829 /nfs/dbraw/zinc/32/78/29/210327829.db2.gz MMLJEVDZXPTNKX-GOSISDBHSA-N -1 3 381.907 5.124 50 0 GKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)C(=O)CC(C)(C)C4)c(C)c1 ZINC000000751875 220457406 /nfs/dbraw/zinc/45/74/06/220457406.db2.gz RDLOWBWGGVFGRE-UHFFFAOYSA-N -1 3 397.496 5.006 50 0 GKAAHM O=C1[N-]C(=Cc2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1c1ccccc1 ZINC000004702410 220751314 /nfs/dbraw/zinc/75/13/14/220751314.db2.gz QDZSPPXSBRQPKJ-ATVHPVEESA-N -1 3 396.855 5.182 50 0 GKAAHM O=c1oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2cc1-c1nc2ccccc2[n-]1 ZINC000006664337 220949628 /nfs/dbraw/zinc/94/96/28/220949628.db2.gz SEOYSJSUODRSGH-UHFFFAOYSA-N -1 3 396.490 5.804 50 0 GKAAHM CCc1cc(-c2n[nH]c(C)c2Oc2ccc(-c3ccccc3)cc2)c([O-])cc1O ZINC000007735919 221008631 /nfs/dbraw/zinc/00/86/31/221008631.db2.gz QLBHHYBMGLJXKY-UHFFFAOYSA-N -1 3 386.451 5.818 50 0 GKAAHM Clc1ccccc1[N-]c1nnc(Sc2ncnc3sccc32)s1 ZINC000008325925 221037175 /nfs/dbraw/zinc/03/71/75/221037175.db2.gz HPISIFIDWVASCW-UHFFFAOYSA-N -1 3 377.907 5.091 50 0 GKAAHM Cc1ccc(-c2cc([N-]C(=O)[C@H](C)Oc3cc(C)ccc3C(C)C)on2)cc1 ZINC000008915739 221062277 /nfs/dbraw/zinc/06/22/77/221062277.db2.gz OINAGPOGDFDKNR-KRWDZBQOSA-N -1 3 378.472 5.488 50 0 GKAAHM Cc1[nH]nc(-c2ccc(OCc3ccccc3)cc2[O-])c1-c1ccc(Cl)cc1 ZINC000008973402 221066858 /nfs/dbraw/zinc/06/68/58/221066858.db2.gz BAFVQXHDCJVLCV-UHFFFAOYSA-N -1 3 390.870 5.990 50 0 GKAAHM CCOc1ccc2nc([N-]C(=O)c3cc(-c4ccc(Cl)cc4)on3)sc2c1 ZINC000011917569 221137417 /nfs/dbraw/zinc/13/74/17/221137417.db2.gz VXAJQAKAZYAUCJ-UHFFFAOYSA-N -1 3 399.859 5.256 50 0 GKAAHM O=C([N-]c1nc2ccccc2s1)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000014826092 221317917 /nfs/dbraw/zinc/31/79/17/221317917.db2.gz RZSRMQKWULMODP-UHFFFAOYSA-N -1 3 393.082 5.557 50 0 GKAAHM Cc1c(CN[C@H](C)c2ccccc2)c(C(=O)[O-])c(C)n1Cc1cccc(C)c1 ZINC000015776782 221344152 /nfs/dbraw/zinc/34/41/52/221344152.db2.gz XFAUNXOVRFADSW-QGZVFWFLSA-N -1 3 376.500 5.011 50 0 GKAAHM COc1cc(-c2nc3sc4ccccc4n3c2NC(C)(C)C)cc(OC)c1[O-] ZINC000065319292 222123721 /nfs/dbraw/zinc/12/37/21/222123721.db2.gz ILGFOFNAANQUFC-UHFFFAOYSA-N -1 3 397.500 5.149 50 0 GKAAHM FC(F)(F)c1cc(Cl)nc([N-]c2ncnc(-c3cccc(Cl)c3)n2)c1 ZINC000091695194 534415954 /nfs/dbraw/zinc/41/59/54/534415954.db2.gz JUAZWSQXVLCWES-UHFFFAOYSA-N -1 3 386.164 5.003 50 0 GKAAHM Cc1ccc(Nc2nc([O-])c(Cc3cc(Cl)ccc3Cl)s2)cc1C ZINC000005812901 525269430 /nfs/dbraw/zinc/26/94/30/525269430.db2.gz TZJKWVJRQNSISA-MRXNPFEDSA-N -1 3 379.312 5.263 50 0 GKAAHM Cc1ccc(Nc2nc([O-])c(Cc3cccc(Cl)c3Cl)s2)cc1C ZINC000005812906 525270072 /nfs/dbraw/zinc/27/00/72/525270072.db2.gz RKUBUGVKPXQMSK-OAHLLOKOSA-N -1 3 379.312 5.263 50 0 GKAAHM C[C@H](c1nc(=O)c2c(-c3ccco3)csc2[n-]1)N(C)Cc1ccccc1Cl ZINC000012812155 570225866 /nfs/dbraw/zinc/22/58/66/570225866.db2.gz IGGNQHSHEOGGHH-GFCCVEGCSA-N -1 3 399.903 5.091 50 0 GKAAHM O=S(=O)([N-]c1ccccc1F)c1ccc(Oc2ccccc2Cl)cc1 ZINC000001132595 570246343 /nfs/dbraw/zinc/24/63/43/570246343.db2.gz ALZPCRMBABLFCV-UHFFFAOYSA-N -1 3 377.824 5.072 50 0 GKAAHM CCOc1cc([O-])c(-c2n[nH]c(C(F)(F)F)c2-c2ccccc2)cc1CC ZINC000001154454 570249533 /nfs/dbraw/zinc/24/95/33/570249533.db2.gz HGQJHETWPCMSPL-UHFFFAOYSA-N -1 3 376.378 5.429 50 0 GKAAHM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)Cc4ccccc4)cc3)sc2c1 ZINC000001181246 570254999 /nfs/dbraw/zinc/25/49/99/570254999.db2.gz PFOLJVCZMJZAGZ-UHFFFAOYSA-N -1 3 394.521 5.214 50 0 GKAAHM O[C@H]([N-]c1nc(-c2ccccc2)c(-c2ccccc2)s1)C(Cl)(Cl)Cl ZINC000002141218 570275759 /nfs/dbraw/zinc/27/57/59/570275759.db2.gz VCZROYMBUHFPJY-HNNXBMFYSA-N -1 3 399.730 5.578 50 0 GKAAHM O=C([N-]c1sccc1-c1nc2ccccc2s1)c1nc2ccccc2s1 ZINC000010694782 570282996 /nfs/dbraw/zinc/28/29/96/570282996.db2.gz QZWOPCHVSOCMJJ-UHFFFAOYSA-N -1 3 393.518 5.887 50 0 GKAAHM O=C1c2[n-]nc(-c3ccc(F)cc3)c2[C@@H](c2ccccc2F)N1c1ccccc1 ZINC000004871045 570352269 /nfs/dbraw/zinc/35/22/69/570352269.db2.gz XHDRZZCKUOOVHC-JOCHJYFZSA-N -1 3 387.389 5.105 50 0 aggregator GKAAHM O=C1c2n[n-]c(-c3ccc(F)cc3)c2[C@@H](c2ccccc2F)N1c1ccccc1 ZINC000004871045 570352272 /nfs/dbraw/zinc/35/22/72/570352272.db2.gz XHDRZZCKUOOVHC-JOCHJYFZSA-N -1 3 387.389 5.105 50 0 aggregator GKAAHM CCCCCC1CCC(c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)CC1 ZINC000003997494 570353899 /nfs/dbraw/zinc/35/38/99/570353899.db2.gz UDZQIABKVDIALT-UHFFFAOYSA-N -1 3 399.600 6.650 50 0 GKAAHM O=C1c2[n-]nc(-c3ccc(F)cc3)c2[C@H](c2cccc(F)c2)N1c1ccccc1 ZINC000004909116 570361952 /nfs/dbraw/zinc/36/19/52/570361952.db2.gz UGANGUWGWRIHAJ-QFIPXVFZSA-N -1 3 387.389 5.105 50 0 GKAAHM O=C1c2n[n-]c(-c3ccc(F)cc3)c2[C@H](c2cccc(F)c2)N1c1ccccc1 ZINC000004909116 570361956 /nfs/dbraw/zinc/36/19/56/570361956.db2.gz UGANGUWGWRIHAJ-QFIPXVFZSA-N -1 3 387.389 5.105 50 0 GKAAHM C[C@H](NCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)c1ccc(Cl)cc1 ZINC000024209118 570380658 /nfs/dbraw/zinc/38/06/58/570380658.db2.gz YKWLFFZQWPQUIG-ZDUSSCGKSA-N -1 3 395.915 5.156 50 0 GKAAHM COc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1Cl ZINC000004667057 570391421 /nfs/dbraw/zinc/39/14/21/570391421.db2.gz OICOFAVPTWFKGP-UHFFFAOYSA-N -1 3 388.316 5.100 50 0 GKAAHM O=C([N-]c1c2ccccc2oc1C(=O)Nc1ccc(F)cc1)c1cccs1 ZINC000005035512 570402309 /nfs/dbraw/zinc/40/23/09/570402309.db2.gz FTIOVLCRGMFNRI-UHFFFAOYSA-N -1 3 380.400 5.138 50 0 GKAAHM CCOc1cc(/C=C/c2ccc3cccc([O-])c3n2)ccc1OCc1ccccc1 ZINC000004845209 570411554 /nfs/dbraw/zinc/41/15/54/570411554.db2.gz WDCXPZBFKHEWEM-SDNWHVSQSA-N -1 3 397.474 6.089 50 0 GKAAHM COc1ccc(Oc2c[nH]nc2-c2ccc(OCc3ccccc3)cc2[O-])cc1 ZINC000005190540 570498989 /nfs/dbraw/zinc/49/89/89/570498989.db2.gz WKWRXDXEBMEXRC-UHFFFAOYSA-N -1 3 388.423 5.162 50 0 GKAAHM CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2[O-])cc1 ZINC000008189390 570523571 /nfs/dbraw/zinc/52/35/71/570523571.db2.gz SUGLDVMBSGSIBA-UHFFFAOYSA-N -1 3 394.496 5.256 50 0 GKAAHM CCc1ccc2oc(=O)cc(-c3oc4ccccc4c3[N-]C(=O)c3ccco3)c2c1 ZINC000006669912 570527908 /nfs/dbraw/zinc/52/79/08/570527908.db2.gz CXDYXDYYOQXBPS-UHFFFAOYSA-N -1 3 399.402 5.614 50 0 GKAAHM Cc1sc2[n-]c(CNc3cccc(Cl)c3)nc(=O)c2c1-c1ccccc1 ZINC000008715528 570537927 /nfs/dbraw/zinc/53/79/27/570537927.db2.gz BLLYFBLEVMBGBA-UHFFFAOYSA-N -1 3 381.888 5.226 50 0 GKAAHM Cc1cc(NC(=O)c2ccco2)cc(-c2nc3cc(C(C)C)ccc3o2)c1[O-] ZINC000009418785 570557496 /nfs/dbraw/zinc/55/74/96/570557496.db2.gz XEHSWEVPMWPQAE-UHFFFAOYSA-N -1 3 376.412 5.478 50 0 GKAAHM Cc1c2cc3c(cc2o/c(=N/[O-])c1Cc1ccccc1)OC1(CCCCC1)CC3 ZINC000009481063 570558936 /nfs/dbraw/zinc/55/89/36/570558936.db2.gz DVEHCZNPJRIPFX-SHHOIMCASA-N -1 3 389.495 5.650 50 0 GKAAHM Cc1ccc(-c2csc3[n-]c(CN(C)C4CCCCC4)nc(=O)c23)cc1C ZINC000036203746 570568536 /nfs/dbraw/zinc/56/85/36/570568536.db2.gz WIGLVJFMASOOKD-UHFFFAOYSA-N -1 3 381.545 5.033 50 0 GKAAHM CCOc1ccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cc1 ZINC000001506352 570585389 /nfs/dbraw/zinc/58/53/89/570585389.db2.gz NNOCKJRWLIENGQ-UHFFFAOYSA-N -1 3 390.464 5.320 50 0 GKAAHM O=C([N-]c1nonc1-c1ccc(Cl)cc1)c1sc2ccccc2c1Cl ZINC000005452235 570597625 /nfs/dbraw/zinc/59/76/25/570597625.db2.gz FQXHRVHEOXHFEA-UHFFFAOYSA-N -1 3 390.251 5.510 50 0 GKAAHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)c1C ZINC000003271571 570600819 /nfs/dbraw/zinc/60/08/19/570600819.db2.gz NDSAAPMQITULKM-UHFFFAOYSA-N -1 3 379.525 5.312 50 0 GKAAHM C[C@H](Sc1nnc([N-]C(=O)c2cc3ccccc3s2)s1)c1ccccc1 ZINC000012401951 570652761 /nfs/dbraw/zinc/65/27/61/570652761.db2.gz NTVDUJJCTFMWCA-LBPRGKRZSA-N -1 3 397.550 5.858 50 0 GKAAHM Cc1ccc(CNCc2c3ccccc3n(Cc3ccccc3C)c2C(=O)[O-])cc1 ZINC000006899708 570694590 /nfs/dbraw/zinc/69/45/90/570694590.db2.gz SIHOSYRISGSZTN-UHFFFAOYSA-N -1 3 398.506 5.294 50 0 GKAAHM Cc1ccc(CNCc2c3ccccc3n(Cc3ccc(C)cc3)c2C(=O)[O-])cc1 ZINC000006899710 570694735 /nfs/dbraw/zinc/69/47/35/570694735.db2.gz VAMJHZFPSNKILH-UHFFFAOYSA-N -1 3 398.506 5.294 50 0 GKAAHM CCCCCC[C@@H](C)n1[n-]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc(F)cc1 ZINC000005865395 570798347 /nfs/dbraw/zinc/79/83/47/570798347.db2.gz IWSYKMUPXXXUKF-FZKQIMNGSA-N -1 3 391.512 5.034 50 0 GKAAHM CCCCc1ccc(Nc2nc([O-])c(Cc3ccc(C)c(Cl)c3)s2)cc1 ZINC000005869439 570799397 /nfs/dbraw/zinc/79/93/97/570799397.db2.gz UDPTUDAZMRNMMR-IBGZPJMESA-N -1 3 386.948 5.644 50 0 GKAAHM O=S(=O)([N-]C(c1ccccc1)c1ccccc1)c1cccc(Cl)c1Cl ZINC000003321539 570856155 /nfs/dbraw/zinc/85/61/55/570856155.db2.gz DGCQANCTNWXWJE-UHFFFAOYSA-N -1 3 392.307 5.061 50 0 GKAAHM O=C([N-]c1c2ccccc2oc1C(=O)c1ccc(Cl)cc1)c1cccs1 ZINC000003655405 570881377 /nfs/dbraw/zinc/88/13/77/570881377.db2.gz VEKBXRBFQXGRIH-UHFFFAOYSA-N -1 3 381.840 5.631 50 0 GKAAHM Cc1ccc(NC(=O)OC2CCCCC2)cc1NC(=O)Nc1ccccc1[O-] ZINC000001233402 570929123 /nfs/dbraw/zinc/92/91/23/570929123.db2.gz UPZQGLKPUCVXJD-UHFFFAOYSA-N -1 3 383.448 5.226 50 0 GKAAHM CCc1ccc2oc(C(=O)[N-]c3nc(-c4ccc(OC)cc4)ns3)c(C)c2c1 ZINC000012111364 570959016 /nfs/dbraw/zinc/95/90/16/570959016.db2.gz KAUJHGLKDVSOFL-UHFFFAOYSA-N -1 3 393.468 5.083 50 0 GKAAHM CCSc1nc2ccc([N-]S(=O)(=O)Cc3ccccc3Cl)cc2s1 ZINC000033298867 570963046 /nfs/dbraw/zinc/96/30/46/570963046.db2.gz PXXMCQXLLVFURX-UHFFFAOYSA-N -1 3 398.962 5.004 50 0 GKAAHM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(C)cc3Cl)c(C)s2)cs1 ZINC000033308406 570968292 /nfs/dbraw/zinc/96/82/92/570968292.db2.gz BULMKRMUWYHEBI-UHFFFAOYSA-N -1 3 398.962 5.251 50 0 GKAAHM CC(C)[C@@H](N[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1)c1ccccc1 ZINC000012786580 571039232 /nfs/dbraw/zinc/03/92/32/571039232.db2.gz XHWOGEAKYCOZDM-IFXJQAMLSA-N -1 3 393.512 5.293 50 0 GKAAHM O=C([N-]c1c(=O)oc2ccccc2c1NC1CCCCC1)c1c(F)cccc1F ZINC000101096604 231009455 /nfs/dbraw/zinc/00/94/55/231009455.db2.gz AVMNEESSOUKLQQ-UHFFFAOYSA-N -1 3 398.409 5.068 50 0 GKAAHM 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Cc1ccc(N2C(=O)c3[n-]nc(-c4ccc(Cl)cc4)c3[C@H]2c2ccccc2)cc1 ZINC000004928779 570371197 /nfs/dbraw/zinc/37/11/97/570371197.db2.gz UITIWZNZZQVARR-HSZRJFAPSA-N -1 3 399.881 5.788 50 0 GKAAHM Cc1ccc(N2C(=O)c3n[n-]c(-c4ccc(Cl)cc4)c3[C@H]2c2ccccc2)cc1 ZINC000004928779 570371201 /nfs/dbraw/zinc/37/12/01/570371201.db2.gz UITIWZNZZQVARR-HSZRJFAPSA-N -1 3 399.881 5.788 50 0 GKAAHM Cc1ccc(N2C(=O)c3[n-]nc(-c4ccc(Cl)cc4)c3[C@@H]2c2ccccc2)cc1 ZINC000004928781 570371363 /nfs/dbraw/zinc/37/13/63/570371363.db2.gz UITIWZNZZQVARR-QHCPKHFHSA-N -1 3 399.881 5.788 50 0 GKAAHM Cc1ccc(N2C(=O)c3n[n-]c(-c4ccc(Cl)cc4)c3[C@@H]2c2ccccc2)cc1 ZINC000004928781 570371364 /nfs/dbraw/zinc/37/13/64/570371364.db2.gz UITIWZNZZQVARR-QHCPKHFHSA-N -1 3 399.881 5.788 50 0 GKAAHM Cc1ccc([C@@H]2C(c3nc4ccccc4s3)=C([O-])C(=O)N2c2ccccn2)cc1 ZINC000024193183 570380327 /nfs/dbraw/zinc/38/03/27/570380327.db2.gz LXICLXZSJKLMOW-HXUWFJFHSA-N -1 3 399.475 5.057 50 0 GKAAHM Cc1cc(NC(=O)c2ccccc2F)cc(-c2nc3ccccc3s2)c1[O-] ZINC000004988519 570390090 /nfs/dbraw/zinc/39/00/90/570390090.db2.gz HHGCCWHMIYUXFZ-UHFFFAOYSA-N -1 3 378.428 5.369 50 0 GKAAHM [O-]c1ccc(/C=C/c2ccc3cccc(OCc4ccccc4Cl)c3n2)cc1 ZINC000004660137 570390301 /nfs/dbraw/zinc/39/03/01/570390301.db2.gz AEJXYHWZCPJHLX-XYOKQWHBSA-N -1 3 387.866 6.343 50 0 GKAAHM CCSc1nc2ccc([N-]S(=O)(=O)Cc3ccc(Cl)cc3)cc2s1 ZINC000033298866 570405236 /nfs/dbraw/zinc/40/52/36/570405236.db2.gz XNXHMCCPKOCVIC-UHFFFAOYSA-N -1 3 398.962 5.004 50 0 GKAAHM Cc1c2ccccc2oc1C(=O)[N-]c1nnc(SCc2ccccc2)s1 ZINC000004867149 570413869 /nfs/dbraw/zinc/41/38/69/570413869.db2.gz KDNZBBIBQQTRIL-UHFFFAOYSA-N -1 3 381.482 5.137 50 0 GKAAHM COc1ccc(-c2c/c(=N\c3cccc(Cl)c3)c3cc([O-])ccc3o2)cc1 ZINC000012374167 570415441 /nfs/dbraw/zinc/41/54/41/570415441.db2.gz CBNJVQNMGJUIEE-HIXSDJFHSA-N -1 3 377.827 5.700 50 0 GKAAHM Cc1cc(NC(=O)c2cccnc2)cc(-c2nc3cc(C(C)C)ccc3o2)c1[O-] ZINC000004988465 570421776 /nfs/dbraw/zinc/42/17/76/570421776.db2.gz VIMYZJWFGWLXPY-UHFFFAOYSA-N -1 3 387.439 5.280 50 0 GKAAHM COc1cccc(-c2nc3c(o2)c([O-])c(C(C)(C)C)cc3C(C)(C)C)c1OC ZINC000005034201 570425291 /nfs/dbraw/zinc/42/52/91/570425291.db2.gz NLCGMGKTUKRPJF-UHFFFAOYSA-N -1 3 383.488 5.813 50 0 GKAAHM O=C1C[C@H](c2ccc(Cl)cc2Cl)Cc2[n-]c3ccc(Cl)cc3c(=O)c21 ZINC000027090318 570431622 /nfs/dbraw/zinc/43/16/22/570431622.db2.gz SLRIULRRADAUHV-SECBINFHSA-N -1 3 392.669 5.401 50 0 GKAAHM Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)Nc1ccc([O-])cc1F ZINC000124411086 570439867 /nfs/dbraw/zinc/43/98/67/570439867.db2.gz DRVSUCKIAGHPHD-UHFFFAOYSA-N -1 3 381.190 5.054 50 0 GKAAHM CCc1ccc2oc(C(=O)[N-]c3nc(-c4ccc(C)cc4)ns3)c(C)c2c1 ZINC000011914383 570447840 /nfs/dbraw/zinc/44/78/40/570447840.db2.gz LADCMECYHMBRPW-UHFFFAOYSA-N -1 3 377.469 5.383 50 0 GKAAHM COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCc3ccccc3)cc2[O-])cc1 ZINC000005219478 570513971 /nfs/dbraw/zinc/51/39/71/570513971.db2.gz KRTNBVOFEWKFJU-UHFFFAOYSA-N -1 3 386.451 5.345 50 0 GKAAHM Cc1ccc(-c2nn(-c3ccccc3)c3[n-]c(-c4ccccc4)cc(=O)c23)cc1 ZINC000006712028 570547268 /nfs/dbraw/zinc/54/72/68/570547268.db2.gz WHFNHZKWIWYDID-UHFFFAOYSA-N -1 3 377.447 5.356 50 0 GKAAHM COc1ccc([O-])c(C2=Nc3ccccc3N=C(c3ccc(Cl)cc3)C2)c1 ZINC000006720721 570550007 /nfs/dbraw/zinc/55/00/07/570550007.db2.gz YZSFXYKLCVNIOL-UHFFFAOYSA-N -1 3 376.843 5.700 50 0 GKAAHM Cc1cc(NC(=O)c2ccccc2F)cc(-c2nc3cc(Cl)ccc3o2)c1[O-] ZINC000009341400 570555521 /nfs/dbraw/zinc/55/55/21/570555521.db2.gz GOISPHWKMJQEPQ-UHFFFAOYSA-N -1 3 396.805 5.554 50 0 GKAAHM O=C(CSCc1ccc(Cl)cc1)[N-]c1oncc1-c1ccc(Cl)cc1 ZINC000032984878 570573109 /nfs/dbraw/zinc/57/31/09/570573109.db2.gz RMFFMUZNHAHNFH-UHFFFAOYSA-N -1 3 393.295 5.520 50 0 GKAAHM CCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)Nc3ccccc3[O-])cc21 ZINC000032986730 570574302 /nfs/dbraw/zinc/57/43/02/570574302.db2.gz UGCWKPONOOLOEJ-UHFFFAOYSA-N -1 3 398.462 5.567 50 0 GKAAHM CCCOc1ccccc1[C@H]1SCC(=O)Nc2c1c(=O)[n-]n2[C@H](C)CCC ZINC000005499508 570614681 /nfs/dbraw/zinc/61/46/81/570614681.db2.gz ANRQTMZEWFHDRY-FZKQIMNGSA-N -1 3 389.521 5.163 50 0 GKAAHM Cc1ccc([C@H]2c3c(-c4ccc(F)cc4)n[n-]c3C(=O)N2c2ccccc2)cc1 ZINC000006813244 570617155 /nfs/dbraw/zinc/61/71/55/570617155.db2.gz MFJCCGMNZVDMNG-QHCPKHFHSA-N -1 3 383.426 5.274 50 0 GKAAHM Cc1ccc([C@H]2c3c(n[n-]c3-c3ccc(F)cc3)C(=O)N2c2ccccc2)cc1 ZINC000006813244 570617156 /nfs/dbraw/zinc/61/71/56/570617156.db2.gz MFJCCGMNZVDMNG-QHCPKHFHSA-N -1 3 383.426 5.274 50 0 GKAAHM Cc1ccc(SC(=C(c2nc3ccccc3[n-]2)[N+](=O)[O-])C(Cl)Cl)cc1 ZINC000006814796 570618120 /nfs/dbraw/zinc/61/81/20/570618120.db2.gz RUNULELDCXVNMW-UHFFFAOYSA-N -1 3 394.283 5.717 50 0 GKAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3cc4ccccc4[nH]3)cc2)cc1 ZINC000033025749 570660714 /nfs/dbraw/zinc/66/07/14/570660714.db2.gz ABLIBFAJBIPREQ-UHFFFAOYSA-N -1 3 392.480 5.034 50 0 GKAAHM O=C([N-]c1nnc(SCc2ccccc2F)s1)c1ccc(F)cc1Cl ZINC000012795205 570715738 /nfs/dbraw/zinc/71/57/38/570715738.db2.gz VCQFQXPOMLDTIU-UHFFFAOYSA-N -1 3 397.859 5.014 50 0 GKAAHM O=C(Nc1ccccc1[O-])c1ccc(CSc2nc3ccccc3s2)cc1 ZINC000036626757 570765578 /nfs/dbraw/zinc/76/55/78/570765578.db2.gz DLTLUQKVPIUVGK-UHFFFAOYSA-N -1 3 392.505 5.547 50 0 GKAAHM CCCCc1ccc(Nc2nc([O-])c(Cc3ccc(C)c(Cl)c3)s2)cc1 ZINC000005869455 570799250 /nfs/dbraw/zinc/79/92/50/570799250.db2.gz UDPTUDAZMRNMMR-LJQANCHMSA-N -1 3 386.948 5.644 50 0 GKAAHM O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl)c1cccc([O-])c1 ZINC000014252515 570838425 /nfs/dbraw/zinc/83/84/25/570838425.db2.gz UMOAIMNDEIPHPN-IBGZPJMESA-N -1 3 390.870 5.089 50 0 GKAAHM C[C@@H](NCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)c1cccc(Cl)c1 ZINC000007487904 570850920 /nfs/dbraw/zinc/85/09/20/570850920.db2.gz LRIGQLPHNKPIQM-CYBMUJFWSA-N -1 3 395.915 5.156 50 0 GKAAHM COc1ccc(-c2n[nH]c(C(F)(F)F)c2Oc2ccccc2C)c([O-])c1C ZINC000001123414 570931753 /nfs/dbraw/zinc/93/17/53/570931753.db2.gz NXOYFPLLDZRLAI-UHFFFAOYSA-N -1 3 378.350 5.219 50 0 GKAAHM CC(C)c1ccc(Nc2c(-c3c([O-])ccc4ccccc43)nc3ncccn32)cc1 ZINC000004735151 570948327 /nfs/dbraw/zinc/94/83/27/570948327.db2.gz KZYAOHHFRONNAW-UHFFFAOYSA-N -1 3 394.478 6.122 50 0 GKAAHM Cc1ccc(/N=c2\cc(-c3ccc4c(c3)OCO4)oc3ccc([O-])cc32)cc1C ZINC000001322463 570958140 /nfs/dbraw/zinc/95/81/40/570958140.db2.gz UVKVPQYHJKKTTD-LKUDQCMESA-N -1 3 385.419 5.383 50 0 biogenic GKAAHM Cc1sc(-c2nc(C(C)C)cs2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000033290125 570960742 /nfs/dbraw/zinc/96/07/42/570960742.db2.gz CSLSCIAJKZIXAQ-UHFFFAOYSA-N -1 3 396.534 5.243 50 0 GKAAHM CC(C)(C)c1csc(-c2csc(S(=O)(=O)[N-]CC3CCCCC3)c2)n1 ZINC000033297822 570961981 /nfs/dbraw/zinc/96/19/81/570961981.db2.gz JAFFDBVPSAUFBI-UHFFFAOYSA-N -1 3 398.619 5.028 50 0 GKAAHM CCSc1nc2ccc([N-]S(=O)(=O)Cc3cccc(Cl)c3)cc2s1 ZINC000033298869 570962952 /nfs/dbraw/zinc/96/29/52/570962952.db2.gz IRHOUVHNBAVFQP-UHFFFAOYSA-N -1 3 398.962 5.004 50 0 GKAAHM Cc1csc(S[C@@H](C)c2nc(=O)c3c(-c4ccccc4)csc3[n-]2)n1 ZINC000013598140 210070290 /nfs/dbraw/zinc/07/02/90/210070290.db2.gz XQAMSKBUGFVQFY-NSHDSACASA-N -1 3 385.539 5.270 50 0 GKAAHM Cc1ccc(C)c(CSc2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[n-]2)c1 ZINC000002718035 209379872 /nfs/dbraw/zinc/37/98/72/209379872.db2.gz RYLVUUIHSGTTTO-UHFFFAOYSA-N -1 3 390.512 5.047 50 0 GKAAHM CCOC(=O)c1c2c(sc1[N-]c1nc3ccccc3nc1Cl)CCCC2 ZINC000002358371 209358888 /nfs/dbraw/zinc/35/88/88/209358888.db2.gz YTKUPXWCVUMBIQ-UHFFFAOYSA-N -1 3 387.892 5.144 50 0 GKAAHM C[C@H]1CCc2c(sc([N-]C(=O)c3ccno3)c2-c2nc3ccccc3s2)C1 ZINC000010253942 209323612 /nfs/dbraw/zinc/32/36/12/209323612.db2.gz JDLMJLUNJTVWAJ-NSHDSACASA-N -1 3 395.509 5.390 50 0 GKAAHM O=C1[N-]C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1c1ccccc1 ZINC000001163007 209308327 /nfs/dbraw/zinc/30/83/27/209308327.db2.gz LBSNJUNCEYLEOB-WJDWOHSUSA-N -1 3 399.233 5.351 50 0 GKAAHM [O-]c1cc2ccccc2cc1-c1nc2c3c4c(sc3ncn2n1)CCCCC4 ZINC000000894760 209277379 /nfs/dbraw/zinc/27/73/79/209277379.db2.gz OBFBYCKDIGGJBO-UHFFFAOYSA-N -1 3 386.480 5.134 50 0 GKAAHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cc2ccccc2o1 ZINC000001207589 212229283 /nfs/dbraw/zinc/22/92/83/212229283.db2.gz YBUXWWGJCWZPIJ-UHFFFAOYSA-N -1 3 386.432 5.667 50 0 GKAAHM O=c1[n-]c(-c2ccc(-c3ccccc3Cl)o2)nc2sc3c(c21)CCCC3 ZINC000000666179 212170916 /nfs/dbraw/zinc/17/09/16/212170916.db2.gz ZDOVBFKHVVVEPI-UHFFFAOYSA-N -1 3 382.872 5.444 50 0 GKAAHM Cc1[nH]nc(-c2ccc(OCc3ccc(Cl)cc3)cc2[O-])c1-c1ccccc1 ZINC000008973016 212148150 /nfs/dbraw/zinc/14/81/50/212148150.db2.gz DDHZNGOABQMYQU-UHFFFAOYSA-N -1 3 390.870 5.990 50 0 GKAAHM COc1ccccc1-c1c(C)[nH]nc1-c1ccc(OCc2ccccc2)cc1[O-] ZINC000008971183 212148266 /nfs/dbraw/zinc/14/82/66/212148266.db2.gz GHZFRQSKRZHFOG-UHFFFAOYSA-N -1 3 386.451 5.345 50 0 GKAAHM CC(C)Oc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(Cl)cc1Cl ZINC000001392341 203905692 /nfs/dbraw/zinc/90/56/92/203905692.db2.gz DSJYNCXGJPQFDR-UHFFFAOYSA-N -1 3 394.707 5.235 50 0 GKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)C[C@@H](C)CC4)c(C)c1 ZINC000004134550 204029007 /nfs/dbraw/zinc/02/90/07/204029007.db2.gz SKXKEFAQJKGRCS-ZDUSSCGKSA-N -1 3 383.513 5.284 50 0 GKAAHM Cc1ccc(-c2n[n-]c3c2[C@H](c2cccc(F)c2)N(c2ccccc2)C3=O)cc1 ZINC000005249125 204122572 /nfs/dbraw/zinc/12/25/72/204122572.db2.gz URHBKQBUDUPOEQ-QHCPKHFHSA-N -1 3 383.426 5.274 50 0 GKAAHM Cc1ccc(-c2[n-]nc3c2[C@H](c2cccc(F)c2)N(c2ccccc2)C3=O)cc1 ZINC000005249125 204122573 /nfs/dbraw/zinc/12/25/73/204122573.db2.gz URHBKQBUDUPOEQ-QHCPKHFHSA-N -1 3 383.426 5.274 50 0 GKAAHM [O-]c1ccccc1-c1cc(-c2ccccc2)cc(-c2ccc(-c3ccccc3)cc2)n1 ZINC000006040809 204163030 /nfs/dbraw/zinc/16/30/30/204163030.db2.gz SIPOLLWMVCMMEI-UHFFFAOYSA-N -1 3 399.493 7.455 50 0 GKAAHM O=c1nc(CN2CCCCCCC2)[n-]c2scc(-c3ccccc3Cl)c21 ZINC000006651483 204188031 /nfs/dbraw/zinc/18/80/31/204188031.db2.gz YRFDDBXHJSSVGS-UHFFFAOYSA-N -1 3 387.936 5.071 50 0 GKAAHM O=c1c(-c2ncc(C(F)(F)F)cc2Cl)c[n-]c2ccc(C(F)(F)F)cc12 ZINC000008681120 204283792 /nfs/dbraw/zinc/28/37/92/204283792.db2.gz UINKGPCOGHRZKU-UHFFFAOYSA-N -1 3 392.686 5.281 50 0 GKAAHM O=C([N-]c1nnc(COc2ccc(C3CCCCC3)cc2)s1)c1cccs1 ZINC000008743233 204287304 /nfs/dbraw/zinc/28/73/04/204287304.db2.gz VRBIAGUQIZUPCN-UHFFFAOYSA-N -1 3 399.541 5.479 50 0 GKAAHM Cc1c(CNCc2cccc(C)c2)c(C(=O)[O-])c(C)n1Cc1ccc(Cl)cc1 ZINC000008932841 204294613 /nfs/dbraw/zinc/29/46/13/204294613.db2.gz GLNSHMCAKKGRMM-UHFFFAOYSA-N -1 3 396.918 5.103 50 0 GKAAHM Cc1ccc(-c2n[n-]c3c2[C@@H](c2ccc(F)cc2)N(c2ccccc2)C3=O)cc1 ZINC000009349987 204308761 /nfs/dbraw/zinc/30/87/61/204308761.db2.gz KDECGVBBKMBKNY-HSZRJFAPSA-N -1 3 383.426 5.274 50 0 GKAAHM Cc1ccc(-c2[n-]nc3c2[C@@H](c2ccc(F)cc2)N(c2ccccc2)C3=O)cc1 ZINC000009349987 204308764 /nfs/dbraw/zinc/30/87/64/204308764.db2.gz KDECGVBBKMBKNY-HSZRJFAPSA-N -1 3 383.426 5.274 50 0 GKAAHM Cc1cc(NC(=O)Cc2ccccc2)cc(-c2nc3cc(Cl)ccc3o2)c1[O-] ZINC000009575633 204316560 /nfs/dbraw/zinc/31/65/60/204316560.db2.gz UTDGFFXGAYQFDJ-UHFFFAOYSA-N -1 3 392.842 5.343 50 0 GKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cc4ccccc4[nH]3)cc2)c(C)c1 ZINC000033025731 204940282 /nfs/dbraw/zinc/94/02/82/204940282.db2.gz SYSCHIILDBNDID-UHFFFAOYSA-N -1 3 376.481 5.253 50 0 GKAAHM O=c1nc(C(Cl)=Cc2cccc(O)c2)[n-]c2scc(-c3cccs3)c21 ZINC000096792785 206301426 /nfs/dbraw/zinc/30/14/26/206301426.db2.gz IMMXSHVOKJFELO-MDWZMJQESA-N -1 3 386.885 5.568 50 0 GKAAHM Cc1ccc(-c2cc([N-]C(=O)[C@@H](C)Oc3cc(C)ccc3C(C)C)on2)cc1 ZINC000008915738 206768557 /nfs/dbraw/zinc/76/85/57/206768557.db2.gz OINAGPOGDFDKNR-QGZVFWFLSA-N -1 3 378.472 5.488 50 0 GKAAHM Cc1c(CNCc2ccc(Cl)cc2)c(C(=O)[O-])c(C)n1Cc1ccccc1C ZINC000020415564 207191852 /nfs/dbraw/zinc/19/18/52/207191852.db2.gz JZVBZGJRDQPFTM-UHFFFAOYSA-N -1 3 396.918 5.103 50 0 GKAAHM Cc1c2ccc(C)c(C)c2oc1C(=O)[N-]c1nonc1-c1ccc(C)c(C)c1 ZINC000027664366 207328077 /nfs/dbraw/zinc/32/80/77/207328077.db2.gz LMRRYSBACKSYFB-UHFFFAOYSA-N -1 3 375.428 5.277 50 0 GKAAHM COc1ccc(-c2c/c(=N/[O-])oc3cc4c(cc32)CCC2(CCCCC2)O4)cc1 ZINC000030822738 207375664 /nfs/dbraw/zinc/37/56/64/207375664.db2.gz TTYAXKDOZNUUFS-BZZOAKBMSA-N -1 3 391.467 5.426 50 0 GKAAHM Fc1cc2cccnc2c(CSc2nnc([N-]c3ccccc3F)s2)c1 ZINC000031612326 207382780 /nfs/dbraw/zinc/38/27/80/207382780.db2.gz RDCZSRRKFJYFNR-UHFFFAOYSA-N -1 3 386.452 5.400 50 0 GKAAHM COc1cc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCCC2)ccc1O ZINC000071279924 207933238 /nfs/dbraw/zinc/93/32/38/207933238.db2.gz APEHUUFPFDXJHK-GOSISDBHSA-N -1 3 387.505 5.084 50 0 GKAAHM COc1cc(/C=C/c2nc3cc(Cl)ccc3o2)cc(Br)c1[O-] ZINC000005155601 220837614 /nfs/dbraw/zinc/83/76/14/220837614.db2.gz INQORDMRTCHCLE-GORDUTHDSA-N -1 3 380.625 5.128 50 0 GKAAHM Cc1c(CN[C@H](C)c2ccccc2)c(C(=O)[O-])c(C)n1Cc1ccccc1C ZINC000008932357 221064895 /nfs/dbraw/zinc/06/48/95/221064895.db2.gz IAYAVZGXZHYAMD-QGZVFWFLSA-N -1 3 376.500 5.011 50 0 GKAAHM COc1ccc(-c2nsc([N-]C(=O)c3oc4ccc(Cl)cc4c3C)n2)cc1 ZINC000008614052 221047330 /nfs/dbraw/zinc/04/73/30/221047330.db2.gz LOTCQDUKBYIFKG-UHFFFAOYSA-N -1 3 399.859 5.174 50 0 GKAAHM CCc1ccc2oc(C(=O)[N-]c3nc(-c4ccc(F)cc4)ns3)c(C)c2c1 ZINC000008614055 221047672 /nfs/dbraw/zinc/04/76/72/221047672.db2.gz ZTGFCYZOAJZHLZ-UHFFFAOYSA-N -1 3 381.432 5.214 50 0 GKAAHM O=C1c2[n-]nc(-c3ccc(F)cc3)c2[C@@H](c2ccc(F)cc2)N1c1ccccc1 ZINC000009274131 221076648 /nfs/dbraw/zinc/07/66/48/221076648.db2.gz IRCVJAVEYMXIPT-JOCHJYFZSA-N -1 3 387.389 5.105 50 0 GKAAHM O=C1c2n[n-]c(-c3ccc(F)cc3)c2[C@@H](c2ccc(F)cc2)N1c1ccccc1 ZINC000009274131 221076651 /nfs/dbraw/zinc/07/66/51/221076651.db2.gz IRCVJAVEYMXIPT-JOCHJYFZSA-N -1 3 387.389 5.105 50 0 GKAAHM CCCCOc1ccc(-c2nonc2[N-]C(=O)c2oc3ccccc3c2C)cc1 ZINC000011914157 221136215 /nfs/dbraw/zinc/13/62/15/221136215.db2.gz VQFMVVGQUFIUIQ-UHFFFAOYSA-N -1 3 391.427 5.222 50 0 GKAAHM Cc1cc(NC(=O)c2cccc(F)c2)cc(-c2nc3cc(Cl)ccc3o2)c1[O-] ZINC000012651576 221216633 /nfs/dbraw/zinc/21/66/33/221216633.db2.gz INYHSXHPXVCZRT-UHFFFAOYSA-N -1 3 396.805 5.554 50 0 GKAAHM O=C(Cc1ccc(Nc2[n-]c(=S)nc3ccccc32)cc1)NC1CCCCC1 ZINC000013496862 221270128 /nfs/dbraw/zinc/27/01/28/221270128.db2.gz FIJXITWWUGUIDN-UHFFFAOYSA-N -1 3 392.528 5.027 50 0 GKAAHM Cc1c2cc(F)ccc2oc1C(=O)[N-]c1nonc1-c1ccc(C(C)C)cc1 ZINC000013685609 221280838 /nfs/dbraw/zinc/28/08/38/221280838.db2.gz ACKIEOAZGBCCAI-UHFFFAOYSA-N -1 3 379.391 5.306 50 0 GKAAHM Cc1ccc(-c2nsc([N-]C(=O)c3oc4cc(C)cc(C)c4c3C)n2)s1 ZINC000015860003 221349091 /nfs/dbraw/zinc/34/90/91/221349091.db2.gz LNBQTHUMQLACGR-UHFFFAOYSA-N -1 3 383.498 5.499 50 0 GKAAHM CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1[N-]C(=O)C(F)(F)F ZINC000000685919 570217828 /nfs/dbraw/zinc/21/78/28/570217828.db2.gz GFXPSFQWCRWDKT-UHFFFAOYSA-N -1 3 385.407 5.216 50 0 GKAAHM COc1cccc([C@H]2CC(c3ccccc3[O-])=Nc3ccccc3S2)c1OC ZINC000000984777 570233398 /nfs/dbraw/zinc/23/33/98/570233398.db2.gz NFGZRMDDMHKBTB-JOCHJYFZSA-N -1 3 391.492 5.767 50 0 GKAAHM CCOc1ccc(-c2n[nH]c(C(F)(F)F)c2Oc2ccccc2)c([O-])c1C ZINC000001159136 570251311 /nfs/dbraw/zinc/25/13/11/570251311.db2.gz NXUBRZLAJRFVCV-UHFFFAOYSA-N -1 3 378.350 5.301 50 0 GKAAHM COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccccc2[O-])cc1 ZINC000012852864 570266840 /nfs/dbraw/zinc/26/68/40/570266840.db2.gz ZXKGOZAREDYFSP-UHFFFAOYSA-N -1 3 386.451 5.120 50 0 GKAAHM CCOc1ccc2nc([N-]C(=O)c3cc(-c4ccc(C)c(F)c4)on3)sc2c1 ZINC000020898239 570283698 /nfs/dbraw/zinc/28/36/98/570283698.db2.gz PORIAHRKZPOOQI-UHFFFAOYSA-N -1 3 397.431 5.050 50 0 GKAAHM Cc1ccc(-c2nsc([N-]C(=O)c3oc4ccc(Cl)cc4c3C)n2)s1 ZINC000021806062 570296689 /nfs/dbraw/zinc/29/66/89/570296689.db2.gz TYNODXAXDIMFTD-UHFFFAOYSA-N -1 3 389.889 5.535 50 0 GKAAHM COc1cccc([O-])c1-c1nc2ccc(-c3cc(C)c(OC)c(C)c3)cc2o1 ZINC000023442909 570324016 /nfs/dbraw/zinc/32/40/16/570324016.db2.gz YINPSMCAYUDQJW-UHFFFAOYSA-N -1 3 375.424 5.501 50 0 biogenic GKAAHM O=C([O-])[C@H](CC(=O)c1ccc(C2CCCCC2)cc1)NCc1ccc(Cl)cc1 ZINC000004118414 570358169 /nfs/dbraw/zinc/35/81/69/570358169.db2.gz RVYGDARILBXHBS-NRFANRHFSA-N -1 3 399.918 5.204 50 0 GKAAHM Cc1ccc(N2C(=O)c3[n-]nc(-c4ccc(Cl)cc4)c3[C@H]2c2ccco2)cc1 ZINC000004928788 570371247 /nfs/dbraw/zinc/37/12/47/570371247.db2.gz KKUVXPIKPFEHEB-OAQYLSRUSA-N -1 3 389.842 5.381 50 0 GKAAHM Cc1ccc(N2C(=O)c3n[n-]c(-c4ccc(Cl)cc4)c3[C@H]2c2ccco2)cc1 ZINC000004928788 570371248 /nfs/dbraw/zinc/37/12/48/570371248.db2.gz KKUVXPIKPFEHEB-OAQYLSRUSA-N -1 3 389.842 5.381 50 0 GKAAHM Cc1ccc(N2C(=O)c3[n-]nc(-c4ccc(Cl)cc4)c3[C@@H]2c2ccco2)cc1 ZINC000004928789 570371344 /nfs/dbraw/zinc/37/13/44/570371344.db2.gz KKUVXPIKPFEHEB-NRFANRHFSA-N -1 3 389.842 5.381 50 0 GKAAHM Cc1ccc(N2C(=O)c3n[n-]c(-c4ccc(Cl)cc4)c3[C@@H]2c2ccco2)cc1 ZINC000004928789 570371346 /nfs/dbraw/zinc/37/13/46/570371346.db2.gz KKUVXPIKPFEHEB-NRFANRHFSA-N -1 3 389.842 5.381 50 0 GKAAHM C[C@@H](NCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)c1ccc(Cl)cc1 ZINC000024209111 570380763 /nfs/dbraw/zinc/38/07/63/570380763.db2.gz YKWLFFZQWPQUIG-CYBMUJFWSA-N -1 3 395.915 5.156 50 0 GKAAHM Cc1ccc2oc(-c3cc(NC(=O)c4ccccc4Cl)cc(C)c3[O-])nc2c1 ZINC000004988526 570390222 /nfs/dbraw/zinc/39/02/22/570390222.db2.gz RXWYIXALTUGWNK-UHFFFAOYSA-N -1 3 392.842 5.723 50 0 GKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)C[C@H](C)CC4)cc1C ZINC000004660873 570390704 /nfs/dbraw/zinc/39/07/04/570390704.db2.gz GYYONLFFDRQVTB-CYBMUJFWSA-N -1 3 383.513 5.284 50 0 GKAAHM Cc1ccc(CS(=O)(=O)[N-]c2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000033289314 570405969 /nfs/dbraw/zinc/40/59/69/570405969.db2.gz VRIBPSWAAGHPQP-UHFFFAOYSA-N -1 3 394.521 5.214 50 0 GKAAHM COC(=O)c1sc(-c2ccccc2)cc1[N-]C(=O)c1nc2ccccc2s1 ZINC000006440940 570423808 /nfs/dbraw/zinc/42/38/08/570423808.db2.gz BWWJFLJZFFCZAL-UHFFFAOYSA-N -1 3 394.477 5.064 50 0 GKAAHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3[nH]2)c1)C12CC3CC(CC(C3)C1)C2 ZINC000005027639 570424636 /nfs/dbraw/zinc/42/46/36/570424636.db2.gz VFKDURDHZJQCMG-UHFFFAOYSA-N -1 3 387.483 5.090 50 0 GKAAHM CCc1cc(-c2n[nH]c(C(F)(F)F)c2-c2ccccc2)c([O-])cc1OC(C)C ZINC000005318772 570433927 /nfs/dbraw/zinc/43/39/27/570433927.db2.gz CQTQEDUIWMFZRJ-UHFFFAOYSA-N -1 3 390.405 5.818 50 0 GKAAHM CCOc1ccc(-c2nonc2[N-]C(=O)c2oc3cc(C)cc(C)c3c2C)cc1 ZINC000027580499 570436254 /nfs/dbraw/zinc/43/62/54/570436254.db2.gz AVZUXNQVWWMSTC-UHFFFAOYSA-N -1 3 391.427 5.059 50 0 GKAAHM COc1cccc(/C=C/c2ccc3cccc([O-])c3n2)c1OCc1ccccc1 ZINC000005586831 570447892 /nfs/dbraw/zinc/44/78/92/570447892.db2.gz UFKUKQVKVOMOBE-JQIJEIRASA-N -1 3 383.447 5.698 50 0 GKAAHM CC(N=Nc1nc(-c2ccccc2)cc(-c2ccccc2[O-])n1)c1ccccc1O ZINC000252620199 570454529 /nfs/dbraw/zinc/45/45/29/570454529.db2.gz LZHMMDSNELZFGP-UHFFFAOYSA-N -1 3 396.450 5.058 50 0 GKAAHM CC(N=Nc1nc(-c2ccccc2)cc(-c2ccccc2[O-])n1)c1ccccc1 ZINC000252644136 570454988 /nfs/dbraw/zinc/45/49/88/570454988.db2.gz ZZTOZADEMOKZKJ-UHFFFAOYSA-N -1 3 380.451 5.352 50 0 GKAAHM O=C([N-]c1nnc(C2CCCCC2)s1)c1csc(-c2ccsc2)n1 ZINC000029185778 570469878 /nfs/dbraw/zinc/46/98/78/570469878.db2.gz BBKQDSLQYKYKIN-UHFFFAOYSA-N -1 3 376.532 5.023 50 0 GKAAHM COc1cc(-c2nc3ccc(Cl)cn3c2Nc2ccccc2)cc(OC)c1[O-] ZINC000035606590 570555984 /nfs/dbraw/zinc/55/59/84/570555984.db2.gz UYCYOBBBOCORET-UHFFFAOYSA-N -1 3 395.846 5.121 50 0 GKAAHM Cc1cc2nc(-c3cc(NC(=O)c4ccccc4C)cc(C)c3[O-])oc2cc1C ZINC000009485332 570559212 /nfs/dbraw/zinc/55/92/12/570559212.db2.gz XNLWEWIEVSEZTO-UHFFFAOYSA-N -1 3 386.451 5.686 50 0 GKAAHM Cc1ccc(-c2csc3[n-]c(CN(C)C4CCCCC4)nc(=O)c23)c(C)c1 ZINC000036204108 570569074 /nfs/dbraw/zinc/56/90/74/570569074.db2.gz QCLUNFGFCTUANP-UHFFFAOYSA-N -1 3 381.545 5.033 50 0 GKAAHM CCOc1ccc(-c2nonc2[N-]C(=O)c2oc3ccc(CC)cc3c2C)cc1 ZINC000006767605 570578025 /nfs/dbraw/zinc/57/80/25/570578025.db2.gz NTUDBDCQLMFGMO-UHFFFAOYSA-N -1 3 391.427 5.005 50 0 GKAAHM C=Cc1ccc(Cn2c3ccccc3c(CNCc3ccccc3)c2C(=O)[O-])cc1 ZINC000006803834 570606054 /nfs/dbraw/zinc/60/60/54/570606054.db2.gz DUUNGNIEMDXBAR-UHFFFAOYSA-N -1 3 396.490 5.321 50 0 GKAAHM O=S(=O)([N-]C1CCCCCCC1)c1ccc(-c2cnc(C3CCC3)o2)s1 ZINC000065004268 570644598 /nfs/dbraw/zinc/64/45/98/570644598.db2.gz BUWJSELAUCXUPK-UHFFFAOYSA-N -1 3 394.562 5.062 50 0 GKAAHM O=C([N-]c1cc(C(F)(F)F)ccc1F)c1sc2cccc(F)c2c1Cl ZINC000006861923 570654129 /nfs/dbraw/zinc/65/41/29/570654129.db2.gz WSDQQSVCJRQUTC-UHFFFAOYSA-N -1 3 391.748 6.104 50 0 GKAAHM O=C([N-]c1c2ccccc2oc1C(=O)Nc1ccc(F)c(Cl)c1)c1ccco1 ZINC000004342016 570676901 /nfs/dbraw/zinc/67/69/01/570676901.db2.gz RMMBEHDBESECBW-UHFFFAOYSA-N -1 3 398.777 5.323 50 0 GKAAHM COc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc(Cl)c1[O-] ZINC000004625016 570702355 /nfs/dbraw/zinc/70/23/55/570702355.db2.gz KBZABMAPIOXDBW-UHFFFAOYSA-N -1 3 376.843 5.778 50 0 GKAAHM C[C@@H](c1nc(=O)c2c(-c3ccco3)csc2[n-]1)N(C)Cc1ccc(Cl)cc1 ZINC000012806967 570718859 /nfs/dbraw/zinc/71/88/59/570718859.db2.gz GLFIYZBPIKPAKK-LBPRGKRZSA-N -1 3 399.903 5.091 50 0 GKAAHM O=C([N-]c1c(F)c(F)cc(F)c1F)c1cc(-c2ccccn2)nc2ccccc21 ZINC000033052741 570739162 /nfs/dbraw/zinc/73/91/62/570739162.db2.gz LDNJJSDCOBXZPA-UHFFFAOYSA-N -1 3 397.331 5.106 50 0 GKAAHM O=S(=O)([N-]C1CCCCCC1)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004624 570757701 /nfs/dbraw/zinc/75/77/01/570757701.db2.gz YCYKDGBFTYNXAQ-UHFFFAOYSA-N -1 3 394.562 5.062 50 0 GKAAHM Cc1csc(S[C@H](C)c2nc(=O)c3c(-c4ccccc4)csc3[n-]2)n1 ZINC000013598138 570761968 /nfs/dbraw/zinc/76/19/68/570761968.db2.gz XQAMSKBUGFVQFY-LLVKDONJSA-N -1 3 385.539 5.270 50 0 GKAAHM Cc1ccccc1N1C(=O)c2ccccc2/C(=C\c2cc(Cl)ccc2[O-])C1=O ZINC000097990725 570775316 /nfs/dbraw/zinc/77/53/16/570775316.db2.gz KWKCSDBGGGWSMY-CPNJWEJPSA-N -1 3 389.838 5.082 50 0 GKAAHM O=C([N-]c1nnc(COc2ccc(C3CCCCC3)cc2)s1)c1ccco1 ZINC000004503446 570817179 /nfs/dbraw/zinc/81/71/79/570817179.db2.gz DJBAXJMJJZSJEO-UHFFFAOYSA-N -1 3 383.473 5.010 50 0 GKAAHM O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(Cl)cc1 ZINC000102679799 570858203 /nfs/dbraw/zinc/85/82/03/570858203.db2.gz DRIPZOYDNRCQGK-SFHVURJKSA-N -1 3 391.858 5.445 50 0 GKAAHM Cc1nn(C)c(C)c1[C@H]1SC(C)=Nc2c1c(=O)[n-]n2C1CCCCCCC1 ZINC000071286978 570888880 /nfs/dbraw/zinc/88/88/80/570888880.db2.gz OATXUKIRROUBND-GOSISDBHSA-N -1 3 387.553 5.111 50 0 GKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2c(Cl)cc(Cl)c3cccnc32)c(C)c1 ZINC000001233335 570928599 /nfs/dbraw/zinc/92/85/99/570928599.db2.gz WEEAMFWSTMJEPV-UHFFFAOYSA-N -1 3 395.311 5.268 50 0 GKAAHM Cc1ccc(/N=c2\cc(-c3ccc4c(c3)OCO4)oc3ccc([O-])cc32)c(C)c1 ZINC000001322039 570958348 /nfs/dbraw/zinc/95/83/48/570958348.db2.gz IEAYSWRRINZSCV-LKUDQCMESA-N -1 3 385.419 5.383 50 0 biogenic GKAAHM CCCCc1ccc(NC(=O)c2cc(=O)c(OCc3ccc(F)cc3)c[n-]2)cc1 ZINC000012168942 570961146 /nfs/dbraw/zinc/96/11/46/570961146.db2.gz LHHRGOORJUJXBI-UHFFFAOYSA-N -1 3 394.446 5.100 50 0 GKAAHM Cc1ccc(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)c([O-])c1 ZINC000045574487 570993412 /nfs/dbraw/zinc/99/34/12/570993412.db2.gz ZEHGGQRCNQNMRM-UHFFFAOYSA-N -1 3 385.419 5.035 50 0 GKAAHM O=C([N-]c1ccccc1SCc1ccsc1)c1cc(F)c(F)c(F)c1F ZINC000084506054 571019937 /nfs/dbraw/zinc/01/99/37/571019937.db2.gz CYFOYRUEZFKJOV-UHFFFAOYSA-N -1 3 397.418 5.849 50 0 GKAAHM CC(=O)c1ccc(-c2ccc(C(=O)[N-]c3nnc(C4CCCCC4)s3)o2)cc1 ZINC000012780799 571034131 /nfs/dbraw/zinc/03/41/31/571034131.db2.gz ZYFDWLRBDOFMNQ-UHFFFAOYSA-N -1 3 395.484 5.301 50 0 GKAAHM Cc1ccc2oc(-c3cc(NC(=O)c4cccc(F)c4)cc(C)c3[O-])nc2c1 ZINC000095482091 571073951 /nfs/dbraw/zinc/07/39/51/571073951.db2.gz BWMNCSIIWSAPAP-UHFFFAOYSA-N -1 3 376.387 5.209 50 0 GKAAHM [O-]c1cc(O)ccc1-c1cs/c(=N\c2ccccc2)n1CCc1ccccc1 ZINC000016735062 210195098 /nfs/dbraw/zinc/19/50/98/210195098.db2.gz JOKVFGGMSVZSCD-VHXPQNKSSA-N -1 3 388.492 5.103 50 0 GKAAHM CCC(CC)C(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c([O-])c1 ZINC000013955106 210096910 /nfs/dbraw/zinc/09/69/10/210096910.db2.gz GJHUNZQASDZZCI-UHFFFAOYSA-N -1 3 382.504 5.317 50 0 GKAAHM Cc1ccc([O-])c(-c2nc3ccc(Cl)cc3c(-c3ccccc3Cl)c2C)c1 ZINC000013040925 210049565 /nfs/dbraw/zinc/04/95/65/210049565.db2.gz OOKNOCJXJCQMOW-UHFFFAOYSA-N -1 3 394.301 7.198 50 0 GKAAHM