smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1c(CSCc2ccccc2)oc2ccc([O-])c(C[NH+](C)C)c21 ZINC000001256107 209317080 /nfs/dbraw/zinc/31/70/80/209317080.db2.gz CLZSZXFWIQZEED-UHFFFAOYSA-N 0 1 399.512 4.810 50 10 GJCAMN O=C(c1ccccc1)c1c(Cl)cccc1NS(=O)(=O)Cc1ccccc1 ZINC000004151116 204028440 /nfs/dbraw/zinc/02/84/40/204028440.db2.gz BPFTWVSLRHBONO-UHFFFAOYSA-N 0 1 385.872 4.513 50 10 GJCAMN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000095471500 211246282 /nfs/dbraw/zinc/24/62/82/211246282.db2.gz SMDLGWBZHFXJHF-WQRHYEAKSA-N 0 1 378.432 4.547 50 10 GJCAMN COc1cccc(Oc2coc3c(ccc([O-])c3C[N@H+]3CCC[C@H](C)C3)c2=O)c1 ZINC000020518592 210343084 /nfs/dbraw/zinc/34/30/84/210343084.db2.gz QNZOGZCTVUHVJK-HNNXBMFYSA-N 0 1 395.455 4.531 50 10 GJCAMN COc1ccccc1Oc1coc2c(ccc([O-])c2C[N@H+]2CCC[C@@H](C)C2)c1=O ZINC000020390863 570254061 /nfs/dbraw/zinc/25/40/61/570254061.db2.gz KZVGKNAVBHUTEK-OAHLLOKOSA-N 0 1 395.455 4.531 50 10 biogenic GJCAMN COc1cccc(Oc2coc3c(ccc([O-])c3C[N@H+]3CCCC[C@H]3C)c2=O)c1 ZINC000005219026 570514024 /nfs/dbraw/zinc/51/40/24/570514024.db2.gz NKOSXXUTYNCMTD-OAHLLOKOSA-N 0 1 395.455 4.674 50 10 biogenic GJCAMN COC(=O)c1cc2ccccc2c(CN(C)Cc2nc3ccccc3s2)c1O ZINC000012787594 570712879 /nfs/dbraw/zinc/71/28/79/570712879.db2.gz DYGOPIKAIYESMM-UHFFFAOYSA-N 0 1 392.480 4.574 50 10 GJCAMN CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Cl)cc(Cl)c2[O-])N3)C1 ZINC000004556423 570883095 /nfs/dbraw/zinc/88/30/95/570883095.db2.gz KFXLEDWFTFXUQB-OAHLLOKOSA-N 0 1 398.315 4.567 50 10 GJCAMN CCC[N@H+](Cc1cc(Br)cc(Br)c1[O-])CC1CC1 ZINC000019633035 571022293 /nfs/dbraw/zinc/02/22/93/571022293.db2.gz LVRNKYAWQONPQX-UHFFFAOYSA-N 0 1 377.120 4.539 50 10 GJCAMN Cn1cc(C=C2C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c2ccccc21 ZINC000017160440 210206493 /nfs/dbraw/zinc/20/64/93/210206493.db2.gz WDSBTCIKRCVGIR-UVTDQMKNSA-N 0 1 395.871 4.503 50 10 GJCAMN CN(C)c1ccc(/C=C/CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000004981094 204100222 /nfs/dbraw/zinc/10/02/22/204100222.db2.gz LUUNXYPBZBXBKT-SNAWJCMRSA-N 0 1 389.465 4.607 50 10 GJCAMN O=C1NC(=S)N(c2ccccc2)C(=O)C1=Cc1c(Cl)cccc1Cl ZINC000016995801 136202119 /nfs/dbraw/zinc/20/21/19/136202119.db2.gz NARZMWRGRWQJPM-FMIVXFBMSA-N 0 1 377.252 4.665 50 10 GJCAMN CC(=O)c1cc(F)cc(C[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)c1O ZINC000072312084 570306374 /nfs/dbraw/zinc/30/63/74/570306374.db2.gz RRAKYNJKVZUVID-UHFFFAOYSA-N 0 1 396.437 4.513 50 10 GJCAMN CC[C@H]1CCCC[N@@H+]1Cc1c2c(ccc1[O-])oc(C)c2C(=O)NC1CCCC1 ZINC000005182642 570496358 /nfs/dbraw/zinc/49/63/58/570496358.db2.gz LUOAUFONAUWTNQ-KRWDZBQOSA-N 0 1 384.520 4.884 50 10 GJCAMN CC[C@H]1CCCC[N@H+]1Cc1c2c(ccc1[O-])oc(C)c2C(=O)NC1CCCC1 ZINC000005182642 570496360 /nfs/dbraw/zinc/49/63/60/570496360.db2.gz LUOAUFONAUWTNQ-KRWDZBQOSA-N 0 1 384.520 4.884 50 10 GJCAMN Cc1ccc(S(=O)(=O)Nc2c(Cl)c(Cl)c(O)c3ccccc32)cc1 ZINC000017779290 570712529 /nfs/dbraw/zinc/71/25/29/570712529.db2.gz OWGXKQOZTOWCSV-UHFFFAOYSA-N 0 1 382.268 4.961 50 10 GJCAMN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000101150132 570814377 /nfs/dbraw/zinc/81/43/77/570814377.db2.gz ZFKUGOIEGCCEFS-NTEUORMPSA-N 0 1 391.214 4.620 50 10 GJCAMN Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000101150132 570814380 /nfs/dbraw/zinc/81/43/80/570814380.db2.gz ZFKUGOIEGCCEFS-NTEUORMPSA-N 0 1 391.214 4.620 50 10 GJCAMN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1Cl ZINC000101346664 570821060 /nfs/dbraw/zinc/82/10/60/570821060.db2.gz FRHGADDKVJBXKL-ZROIWOOFSA-N 0 1 391.214 4.620 50 10 GJCAMN COc1ccc(-n2c(C)c([N+](=O)[O-])c3ccc([O-])c(C[NH+]4CCCCC4)c32)cc1 ZINC000001234002 570928571 /nfs/dbraw/zinc/92/85/71/570928571.db2.gz VKQDQUKUVXGKRA-UHFFFAOYSA-N 0 1 395.459 4.547 50 10 GJCAMN [O-]c1c([C@@H](c2ccccc2Br)[NH+]2CCCC2)ccc2cccnc21 ZINC000004190071 204031890 /nfs/dbraw/zinc/03/18/90/204031890.db2.gz SIGYUTQWOLIIOK-LJQANCHMSA-N 0 1 383.289 4.888 50 10 GJCAMN O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc(-c2ccc(F)cc2)o1 ZINC000009350831 204308441 /nfs/dbraw/zinc/30/84/41/204308441.db2.gz JLQHQRIIWKBGSS-PDGQHHTCSA-N 0 1 390.370 4.588 50 10 GJCAMN COc1ccccc1-c1coc2c(ccc([O-])c2C[N@@H+](C)C2CCCCC2)c1=O ZINC000019790399 570219181 /nfs/dbraw/zinc/21/91/81/570219181.db2.gz STHFPZWEWMEHAF-UHFFFAOYSA-N 0 1 393.483 4.939 50 10 biogenic GJCAMN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000100535530 570386285 /nfs/dbraw/zinc/38/62/85/570386285.db2.gz AEEDXFZQPFBBDE-MHWRWJLKSA-N 0 1 384.823 4.584 50 10 GJCAMN Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2)c(C(=O)c2ccccc2)c1 ZINC000170618141 570875497 /nfs/dbraw/zinc/87/54/97/570875497.db2.gz LILZDGMNIAUMSA-UHFFFAOYSA-N 0 1 385.872 4.680 50 10 GJCAMN COc1cccc(CN2CCCn3cccc3[C@@H]2c2ccc(Cl)cc2)c1O ZINC000036347462 205013367 /nfs/dbraw/zinc/01/33/67/205013367.db2.gz ILOPGUHHROFSNW-NRFANRHFSA-N 0 1 382.891 4.851 50 10 GJCAMN CCSc1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccc(F)cc1S2 ZINC000019802286 210298815 /nfs/dbraw/zinc/29/88/15/210298815.db2.gz SPTSTXDKTQWLNQ-IBGZPJMESA-N 0 1 388.577 4.934 50 10 GJCAMN CCOC(=O)c1c(C)c(C)sc1N=Cc1c(C)[nH]n(-c2ccc(C)cc2)c1=O ZINC000102811662 570865327 /nfs/dbraw/zinc/86/53/27/570865327.db2.gz VLQHTJCBTWNDRH-BOPFTXTBSA-N 0 1 397.500 4.569 50 10 GJCAMN O=C1C(=CNc2cccc(C(F)(F)F)c2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000100329280 211386677 /nfs/dbraw/zinc/38/66/77/211386677.db2.gz AYOKRMWMDPIXOS-UVTDQMKNSA-N 0 1 399.294 4.966 50 10 GJCAMN CCSc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccc(F)cc1S2 ZINC000019802284 210297132 /nfs/dbraw/zinc/29/71/32/210297132.db2.gz SPTSTXDKTQWLNQ-LJQANCHMSA-N 0 1 388.577 4.934 50 10 GJCAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1cccc2ccccc12 ZINC000002281172 209355294 /nfs/dbraw/zinc/35/52/94/209355294.db2.gz BGARQKPZNYRCIL-LDADJPATSA-N 0 1 376.412 4.651 50 10 GJCAMN Cc1oc2ccc([O-])c(C[N@H+](C)Cc3ccccc3)c2c1C(=O)NC1CCCC1 ZINC000005182740 204117823 /nfs/dbraw/zinc/11/78/23/204117823.db2.gz QYVZXFXMWPKDRB-UHFFFAOYSA-N 0 1 392.499 4.751 50 10 GJCAMN Cc1oc2ccc([O-])c(C[N@@H+](C)Cc3ccccc3)c2c1C(=O)NC1CCCC1 ZINC000005182740 204117827 /nfs/dbraw/zinc/11/78/27/204117827.db2.gz QYVZXFXMWPKDRB-UHFFFAOYSA-N 0 1 392.499 4.751 50 10 GJCAMN Cc1c(C)c(=O)oc2c1ccc([O-])c2CNc1ccc(C[NH+]2CCCCC2)cc1 ZINC000006672049 204191298 /nfs/dbraw/zinc/19/12/98/204191298.db2.gz HJVKCYZAMZQHJR-UHFFFAOYSA-N 0 1 392.499 4.713 50 10 GJCAMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2cccc(F)c2)C1 ZINC000020781399 210360770 /nfs/dbraw/zinc/36/07/70/210360770.db2.gz IOHOEJRYVDNTPY-OAHLLOKOSA-N 0 1 385.870 4.954 50 10 GJCAMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2cccc(F)c2)C1 ZINC000020781399 210360775 /nfs/dbraw/zinc/36/07/75/210360775.db2.gz IOHOEJRYVDNTPY-OAHLLOKOSA-N 0 1 385.870 4.954 50 10 GJCAMN Cc1ccc(C=C2C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)s1 ZINC000020395309 136202529 /nfs/dbraw/zinc/20/25/29/136202529.db2.gz HUOYRIMDXKBRKL-JYRVWZFOSA-N 0 1 376.890 4.690 50 10 GJCAMN [O-]c1ccc(-c2ncccn2)cc1C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000019838937 570223971 /nfs/dbraw/zinc/22/39/71/570223971.db2.gz NTXKWEDUOAUOQO-QHCPKHFHSA-N 0 1 381.479 4.923 50 10 GJCAMN Cc1oc2ccc([O-])c(C[N@H+]3CCCC[C@H]3C)c2c1C(=O)NCc1ccccc1 ZINC000005182551 570495813 /nfs/dbraw/zinc/49/58/13/570495813.db2.gz RCFXSVNPVUOLKO-MRXNPFEDSA-N 0 1 392.499 4.751 50 10 GJCAMN Cc1oc2ccc([O-])c(C[N@@H+]3CCCC[C@H]3C)c2c1C(=O)NCc1ccccc1 ZINC000005182551 570495814 /nfs/dbraw/zinc/49/58/14/570495814.db2.gz RCFXSVNPVUOLKO-MRXNPFEDSA-N 0 1 392.499 4.751 50 10 GJCAMN O=c1[nH]nc2[nH]c3c(c(-c4ccc(Cl)c(Cl)c4)c1-2)C(=O)c1ccccc1-3 ZINC000018196145 210216633 /nfs/dbraw/zinc/21/66/33/210216633.db2.gz UXWRNRKZKUYURP-UHFFFAOYSA-N 0 1 382.206 4.849 50 10 GJCAMN O=C(c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000013490623 210063584 /nfs/dbraw/zinc/06/35/84/210063584.db2.gz JATJAPWMNULNGP-UHFFFAOYSA-N 0 1 387.460 4.872 50 10 GJCAMN COc1cccc(CNc2ncc(-c3ccc(Cl)c(Cl)c3)n2C)c1O ZINC000004678298 204063718 /nfs/dbraw/zinc/06/37/18/204063718.db2.gz XQTKCNRJMRNXJB-UHFFFAOYSA-N 0 1 378.259 4.720 50 10 GJCAMN COc1cccc(Oc2coc3c(ccc([O-])c3C[N@H+]3CCC[C@@H](C)C3)c2=O)c1 ZINC000020518590 570264895 /nfs/dbraw/zinc/26/48/95/570264895.db2.gz QNZOGZCTVUHVJK-OAHLLOKOSA-N 0 1 395.455 4.531 50 10 GJCAMN COc1ccccc1[C@H]1CN(Cc2c(O)cccc2OC)Cc2ccccc2O1 ZINC000020910735 570283994 /nfs/dbraw/zinc/28/39/94/570283994.db2.gz DLAVEMMBYVWVFT-XMMPIXPASA-N 0 1 391.467 4.545 50 10 GJCAMN CCc1cccc2c(C=C3C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)c[nH]c21 ZINC000020232958 210324923 /nfs/dbraw/zinc/32/49/23/210324923.db2.gz HSZIAZWTYVOPAX-WQRHYEAKSA-N 0 1 389.480 4.710 50 10 GJCAMN [O-]c1c([C@H](c2ccccc2)[NH+]2CCN(c3ccccc3)CC2)ccc2cccnc21 ZINC000019898708 570228399 /nfs/dbraw/zinc/22/83/99/570228399.db2.gz ZPQFOQOPYUYODL-VWLOTQADSA-N 0 1 395.506 4.852 50 10 GJCAMN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1nnc(-c2ccccc2)s1 ZINC000101114510 570814572 /nfs/dbraw/zinc/81/45/72/570814572.db2.gz DNIQNKNDBXKBKI-LDADJPATSA-N 0 1 389.484 4.540 50 10 GJCAMN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000000723606 209262678 /nfs/dbraw/zinc/26/26/78/209262678.db2.gz WZTIKNRSYKDRQF-UHFFFAOYSA-N 0 1 385.872 4.680 50 10 GJCAMN CCOC(=O)c1cc(CC)sc1N=Cc1c(C)[nH]n(-c2ccc(C)cc2)c1=O ZINC000100209356 211383557 /nfs/dbraw/zinc/38/35/57/211383557.db2.gz VAUDIEHNDDTBHO-PDGQHHTCSA-N 0 1 397.500 4.514 50 10 GJCAMN CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c(O)c3oc1c2-c1ccsc1 ZINC000095474556 211247386 /nfs/dbraw/zinc/24/73/86/211247386.db2.gz HTGKJXMLQVCOFG-UHFFFAOYSA-N 0 1 381.413 4.757 50 10 GJCAMN C[N@@H+](Cc1ccccc1)Cc1cc(Br)cc(Br)c1[O-] ZINC000023281984 570353625 /nfs/dbraw/zinc/35/36/25/570353625.db2.gz ANCCKQJNAMPMHL-UHFFFAOYSA-N 0 1 385.099 4.549 50 10 GJCAMN COc1cc2c(cc1Cl)C(N1CCN(C)CC1)=Cc1ccc(C)cc1S2 ZINC000005602517 570667678 /nfs/dbraw/zinc/66/76/78/570667678.db2.gz RXNSZRGWAHPRDI-UHFFFAOYSA-N 0 1 386.948 4.867 50 10 GJCAMN O=C(Nc1ccc(-c2ccco2)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000039358087 570589618 /nfs/dbraw/zinc/58/96/18/570589618.db2.gz KEVOERSWOZWCEO-LJQANCHMSA-N 0 1 376.456 4.503 50 10 GJCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cccc2ccccc12 ZINC000001245620 209317564 /nfs/dbraw/zinc/31/75/64/209317564.db2.gz CENLOHOENZSIND-FOWTUZBSSA-N 0 1 376.412 4.651 50 10 GJCAMN COc1ccc(-c2cc(=O)oc3c(C)c([O-])c(C[N@H+]4CCC[C@H](C)C4)cc23)cc1 ZINC000002150002 209229182 /nfs/dbraw/zinc/22/91/82/209229182.db2.gz CVHTWKYCYKUURC-HNNXBMFYSA-N 0 1 393.483 4.715 50 10 biogenic GJCAMN COc1ccc(-c2cc(=O)oc3c(C)c([O-])c(C[N@H+]4CCC[C@@H](C)C4)cc23)cc1 ZINC000002149997 209228425 /nfs/dbraw/zinc/22/84/25/209228425.db2.gz CVHTWKYCYKUURC-OAHLLOKOSA-N 0 1 393.483 4.715 50 10 biogenic GJCAMN COCCn1c(-c2ccc(Cl)cc2)cnc1NCc1cc(Cl)ccc1O ZINC000004678756 204063003 /nfs/dbraw/zinc/06/30/03/204063003.db2.gz BXEXSJJBTJRMLZ-UHFFFAOYSA-N 0 1 392.286 4.821 50 10 GJCAMN CCn1cc(C=C2C(=O)NC(=S)N(c3ccccc3C)C2=O)c2ccccc21 ZINC000005100834 204111628 /nfs/dbraw/zinc/11/16/28/204111628.db2.gz ONLQFJFHTDPHBC-SFQUDFHCSA-N 0 1 389.480 4.641 50 10 GJCAMN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1nnc(-c2ccccc2)s1 ZINC000100500482 211385602 /nfs/dbraw/zinc/38/56/02/211385602.db2.gz DNIQNKNDBXKBKI-PDGQHHTCSA-N 0 1 389.484 4.540 50 10 GJCAMN CN(C)c1ccc(CNCc2cc(Cl)ccc2OCc2cccnc2)cc1 ZINC000040086357 210770631 /nfs/dbraw/zinc/77/06/31/210770631.db2.gz IRGILQJIALICGC-UHFFFAOYSA-N 0 1 381.907 4.670 50 10 GJCAMN O=[N+]([O-])c1ccc([C@@H]2Nc3c(O)cc(Cl)c([N+](=O)[O-])c3[C@H]3C=CC[C@H]32)cc1 ZINC000035146735 570242109 /nfs/dbraw/zinc/24/21/09/570242109.db2.gz WZGYQFWANGEGHU-OZVIIMIRSA-N 0 1 387.779 4.689 50 10 GJCAMN Cc1c2ccc([O-])c(C[N@@H+]3CCC[C@H](C)C3)c2oc(=O)c1Cc1ccccc1 ZINC000001256337 570259658 /nfs/dbraw/zinc/25/96/58/570259658.db2.gz BHJNDUBILNOCKM-INIZCTEOSA-N 0 1 377.484 4.630 50 10 GJCAMN Cc1oc2ccc([O-])c(C[N@H+]3CCCC[C@@H]3C)c2c1C(=O)NCc1ccccc1 ZINC000005182550 570496004 /nfs/dbraw/zinc/49/60/04/570496004.db2.gz RCFXSVNPVUOLKO-INIZCTEOSA-N 0 1 392.499 4.751 50 10 GJCAMN Cc1oc2ccc([O-])c(C[N@@H+]3CCCC[C@@H]3C)c2c1C(=O)NCc1ccccc1 ZINC000005182550 570496007 /nfs/dbraw/zinc/49/60/07/570496007.db2.gz RCFXSVNPVUOLKO-INIZCTEOSA-N 0 1 392.499 4.751 50 10 GJCAMN Cc1oc2ccc([O-])c(C[N@H+]3CCC[C@@H](C)C3)c2c1C(=O)NCc1ccccc1 ZINC000005182608 570496317 /nfs/dbraw/zinc/49/63/17/570496317.db2.gz ZCZRACPSXMOSGE-MRXNPFEDSA-N 0 1 392.499 4.609 50 10 GJCAMN Cc1oc2ccc([O-])c(C[N@@H+]3CCC[C@@H](C)C3)c2c1C(=O)NCc1ccccc1 ZINC000005182608 570496319 /nfs/dbraw/zinc/49/63/19/570496319.db2.gz ZCZRACPSXMOSGE-MRXNPFEDSA-N 0 1 392.499 4.609 50 10 GJCAMN Cc1cc(C)cc(NC(=O)[C@H]2CC23CC[NH+](Cc2cc(Cl)ccc2[O-])CC3)c1 ZINC000011968859 570596214 /nfs/dbraw/zinc/59/62/14/570596214.db2.gz XRRDRQDEKCFARW-HXUWFJFHSA-N 0 1 398.934 4.903 50 10 GJCAMN Cc1oc2ccc([O-])c(C[N@H+]3CCCC[C@@H]3C)c2c1C(=O)NC1CCCCC1 ZINC000006811153 570616122 /nfs/dbraw/zinc/61/61/22/570616122.db2.gz HEGOQCHHMDGGSG-HNNXBMFYSA-N 0 1 384.520 4.884 50 10 GJCAMN Cc1oc2ccc([O-])c(C[N@@H+]3CCCC[C@@H]3C)c2c1C(=O)NC1CCCCC1 ZINC000006811153 570616125 /nfs/dbraw/zinc/61/61/25/570616125.db2.gz HEGOQCHHMDGGSG-HNNXBMFYSA-N 0 1 384.520 4.884 50 10 GJCAMN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000100499918 211387340 /nfs/dbraw/zinc/38/73/40/211387340.db2.gz FYTGOYCDQHTOIM-ZROIWOOFSA-N 0 1 391.214 4.620 50 10 GJCAMN O=C1C(=CNc2ccc(C(F)(F)F)cc2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000100329276 570354040 /nfs/dbraw/zinc/35/40/40/570354040.db2.gz SJRIOUMUGPELRZ-UVTDQMKNSA-N 0 1 399.294 4.966 50 10 GJCAMN CC[C@@H]1CCCC[N@@H+]1Cc1c2c(ccc1[O-])oc(C)c2C(=O)NC1CCCC1 ZINC000005182639 570496522 /nfs/dbraw/zinc/49/65/22/570496522.db2.gz LUOAUFONAUWTNQ-QGZVFWFLSA-N 0 1 384.520 4.884 50 10 GJCAMN CC[C@@H]1CCCC[N@H+]1Cc1c2c(ccc1[O-])oc(C)c2C(=O)NC1CCCC1 ZINC000005182639 570496525 /nfs/dbraw/zinc/49/65/25/570496525.db2.gz LUOAUFONAUWTNQ-QGZVFWFLSA-N 0 1 384.520 4.884 50 10 GJCAMN C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N(C)Cc1ccc(N(C)C)cc1 ZINC000007361355 570833920 /nfs/dbraw/zinc/83/39/20/570833920.db2.gz LNKBMPPUQPTNDX-LJQANCHMSA-N 0 1 387.527 4.879 50 10 GJCAMN CCOC(=O)c1c(CSc2ccccc2)oc2ccc([O-])c(C[NH+](C)C)c21 ZINC000000634225 209252632 /nfs/dbraw/zinc/25/26/32/209252632.db2.gz FWOMJMKPXGUDOG-UHFFFAOYSA-N 0 1 385.485 4.669 50 10 GJCAMN COc1cc([O-])c(C[N@@H+]2C[C@H](C)C[C@H](C)C2)c2oc(-c3ccccc3)cc(=O)c12 ZINC000011865266 203827682 /nfs/dbraw/zinc/82/76/82/203827682.db2.gz QLPKJMOJXSWDEW-IYBDPMFKSA-N 0 1 393.483 4.652 50 10 biogenic GJCAMN COc1ccc(Oc2coc3c(ccc([O-])c3C[N@H+]3CCC[C@H](C)C3)c2=O)cc1 ZINC000005185287 204117837 /nfs/dbraw/zinc/11/78/37/204117837.db2.gz WMLNZZILBDNROI-HNNXBMFYSA-N 0 1 395.455 4.531 50 10 GJCAMN CCN(CC)c1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000055292241 570690901 /nfs/dbraw/zinc/69/09/01/570690901.db2.gz FVYIKQXARQMQHC-UHFFFAOYSA-N 0 1 391.481 4.874 50 10 GJCAMN Cn1c(-c2cccc(Br)c2)cnc1NCc1cc(Cl)ccc1O ZINC000004678210 570823811 /nfs/dbraw/zinc/82/38/11/570823811.db2.gz NNQHBIMBBILUMZ-UHFFFAOYSA-N 0 1 392.684 4.821 50 10 GJCAMN CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(C[N@H+]2CCC[C@@H](C)C2)c1[O-] ZINC000002277994 209354813 /nfs/dbraw/zinc/35/48/13/209354813.db2.gz HFRVLQCUWFIUKP-CYBMUJFWSA-N 0 1 398.528 4.725 50 10 GJCAMN [O-]c1c([C@@H](c2ccccc2)[NH+]2CCN(c3ccccc3)CC2)ccc2cccnc21 ZINC000004863903 204083414 /nfs/dbraw/zinc/08/34/14/204083414.db2.gz ZPQFOQOPYUYODL-RUZDIDTESA-N 0 1 395.506 4.852 50 10 GJCAMN COc1ccc(-c2coc3c(ccc([O-])c3C[N@@H+]3C[C@H](C)C[C@H](C)C3)c2=O)cc1 ZINC000041583924 211415589 /nfs/dbraw/zinc/41/55/89/211415589.db2.gz IJQSLXSXRKXHES-IYBDPMFKSA-N 0 1 393.483 4.652 50 10 GJCAMN CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c(O)c3oc1c2-c1cccs1 ZINC000095479274 211248288 /nfs/dbraw/zinc/24/82/88/211248288.db2.gz YDJNMJNDJGTAJA-UHFFFAOYSA-N 0 1 381.413 4.757 50 10 GJCAMN [O-]c1ccc(-c2ncccn2)cc1C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000019838939 570224266 /nfs/dbraw/zinc/22/42/66/570224266.db2.gz NTXKWEDUOAUOQO-HSZRJFAPSA-N 0 1 381.479 4.923 50 10 GJCAMN CC(C)Cc1c2oc3c(ccc(O)c3O)c2nc2c1c(=O)[nH]n2C1CCCCC1 ZINC000085877129 570263395 /nfs/dbraw/zinc/26/33/95/570263395.db2.gz PVELVMJPGMZDQE-UHFFFAOYSA-N 0 1 395.459 4.739 50 10 biogenic GJCAMN Cc1oc2ccc([O-])c(C[NH+]3CCCCC3)c2c1C(=O)Nc1ccccc1C ZINC000005182505 570430902 /nfs/dbraw/zinc/43/09/02/570430902.db2.gz GGXTXJAHVGHBHF-UHFFFAOYSA-N 0 1 378.472 4.993 50 10 GJCAMN Cc1oc2ccc([O-])c(C[N@H+]3CCC[C@@H](C)C3)c2c1C(=O)Nc1ccccc1 ZINC000005182582 570495870 /nfs/dbraw/zinc/49/58/70/570495870.db2.gz MBMRXFVFSYRHJW-OAHLLOKOSA-N 0 1 378.472 4.931 50 10 GJCAMN Cc1oc2ccc([O-])c(C[N@@H+]3CCC[C@@H](C)C3)c2c1C(=O)Nc1ccccc1 ZINC000005182582 570495873 /nfs/dbraw/zinc/49/58/73/570495873.db2.gz MBMRXFVFSYRHJW-OAHLLOKOSA-N 0 1 378.472 4.931 50 10 GJCAMN Cc1ccc(C(=O)c2ccccc2NS(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000252484723 570969444 /nfs/dbraw/zinc/96/94/44/570969444.db2.gz GFRNFJWNROOJRK-UHFFFAOYSA-N 0 1 385.872 4.680 50 10 GJCAMN COc1ccc(-c2c(C)oc3c(ccc([O-])c3C[N@H+]3CCC[C@@H](C)C3)c2=O)cc1 ZINC000020411780 209234932 /nfs/dbraw/zinc/23/49/32/209234932.db2.gz XLIOEUNETUEZEJ-OAHLLOKOSA-N 0 1 393.483 4.715 50 10 biogenic GJCAMN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=NNc1ccc(N2CCOCC2)cc1 ZINC000006177560 204169936 /nfs/dbraw/zinc/16/99/36/204169936.db2.gz HPKAXVQIWMGCBV-GHVJWSGMSA-N 0 1 397.866 4.792 50 10 GJCAMN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 ZINC000005688711 204146248 /nfs/dbraw/zinc/14/62/48/204146248.db2.gz KXOQURSYRIUBLU-QFIPXVFZSA-N 0 1 391.515 4.644 50 10 GJCAMN [O-]c1c([C@H](c2ccc(Br)cc2)[NH+]2CCCC2)ccc2cccnc21 ZINC000004871544 570352197 /nfs/dbraw/zinc/35/21/97/570352197.db2.gz VMPFQVVBVXXCJQ-IBGZPJMESA-N 0 1 383.289 4.888 50 10 GJCAMN CCn1cc(C=C2C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c2ccccc21 ZINC000005100653 570417373 /nfs/dbraw/zinc/41/73/73/570417373.db2.gz WQIFZZMYUWGTIJ-LDADJPATSA-N 0 1 389.480 4.641 50 10 GJCAMN Cc1oc2ccc([O-])c(C[N@H+]3CCC[C@H](C)C3)c2c1C(=O)NCc1ccccc1 ZINC000005182605 570496450 /nfs/dbraw/zinc/49/64/50/570496450.db2.gz ZCZRACPSXMOSGE-INIZCTEOSA-N 0 1 392.499 4.609 50 10 GJCAMN Cc1oc2ccc([O-])c(C[N@@H+]3CCC[C@H](C)C3)c2c1C(=O)NCc1ccccc1 ZINC000005182605 570496456 /nfs/dbraw/zinc/49/64/56/570496456.db2.gz ZCZRACPSXMOSGE-INIZCTEOSA-N 0 1 392.499 4.609 50 10 GJCAMN COc1ccc(NC(=O)c2c(C)oc3ccc([O-])c(C[NH+]4CCCCC4)c32)cc1 ZINC000005182497 570496475 /nfs/dbraw/zinc/49/64/75/570496475.db2.gz WRVLPPZDEYVJBJ-UHFFFAOYSA-N 0 1 394.471 4.694 50 10 GJCAMN CCOC(=O)c1c(-c2ccccc2)oc2ccc([O-])c(C[NH+]3CCCCC3)c21 ZINC000000941146 570731813 /nfs/dbraw/zinc/73/18/13/570731813.db2.gz XNBPZFDWJSQTIE-UHFFFAOYSA-N 0 1 379.456 4.968 50 10 GJCAMN COc1ccccc1-c1c(C)oc2c(ccc([O-])c2C[N@H+]2CCC[C@@H](C)C2)c1=O ZINC000020410406 209235749 /nfs/dbraw/zinc/23/57/49/209235749.db2.gz ZSTKORZWCOWYNF-OAHLLOKOSA-N 0 1 393.483 4.715 50 10 biogenic GJCAMN CCOCc1cc(CN[C@@H](C)c2cnn(-c3cccc(F)c3)c2C)ccc1OC ZINC000012200084 204382560 /nfs/dbraw/zinc/38/25/60/204382560.db2.gz QXHBIHGWOOUROD-INIZCTEOSA-N 0 1 397.494 4.716 50 10 GJCAMN O=[N+]([O-])c1ccc([C@@H]2Nc3c(O)cc(Cl)c([N+](=O)[O-])c3[C@H]3C=CC[C@@H]32)cc1 ZINC000035146737 570241963 /nfs/dbraw/zinc/24/19/63/570241963.db2.gz WZGYQFWANGEGHU-MKBNYLNASA-N 0 1 387.779 4.689 50 10 GJCAMN Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000100922779 570781037 /nfs/dbraw/zinc/78/10/37/570781037.db2.gz LHAYGZMZRMVADV-ZROIWOOFSA-N 0 1 391.214 4.620 50 10 GJCAMN COc1ccccc1-c1c(C)oc2c(ccc([O-])c2C[N@H+]2CCCC[C@H]2C)c1=O ZINC000003653125 212145628 /nfs/dbraw/zinc/14/56/28/212145628.db2.gz LEXIIBMSVNOCIL-OAHLLOKOSA-N 0 1 393.483 4.857 50 10 biogenic GJCAMN COc1ccccc1-c1coc2c(ccc([O-])c2C[N@H+]2CCCC[C@@H]2C)c1=O ZINC000019790387 206296740 /nfs/dbraw/zinc/29/67/40/206296740.db2.gz ACICCXCUFOEWRG-HNNXBMFYSA-N 0 1 379.456 4.549 50 10 biogenic GJCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)[nH]1 ZINC000038161069 207303259 /nfs/dbraw/zinc/30/32/59/207303259.db2.gz AARFMUWXIQJMTP-SDQBBNPISA-N 0 1 394.283 4.610 50 10 GJCAMN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1nnc(-c2ccccc2)s1 ZINC000101114509 208387240 /nfs/dbraw/zinc/38/72/40/208387240.db2.gz JHVJJANGYUCKHL-LFIBNONCSA-N 0 1 395.875 4.577 50 10 GJCAMN CCOCc1cc(CN[C@H](C)c2cnn(-c3ccccc3)c2C)ccc1OC ZINC000012704612 221219911 /nfs/dbraw/zinc/21/99/11/221219911.db2.gz MYBDMOVKFLYFMP-QGZVFWFLSA-N 0 1 379.504 4.577 50 10 GJCAMN Cc1oc2ccc([O-])c(C[NH+]3CCCCCC3)c2c1C(=O)NC1CCCCC1 ZINC000005182723 570496644 /nfs/dbraw/zinc/49/66/44/570496644.db2.gz WVUITDWABKAKME-UHFFFAOYSA-N 0 1 384.520 4.885 50 10 GJCAMN CCN(C)c1ccc(CNCc2ccccc2OCc2cccnc2)cc1F ZINC000078823193 570509525 /nfs/dbraw/zinc/50/95/25/570509525.db2.gz VVMLIIXOHBGNCP-UHFFFAOYSA-N 0 1 379.479 4.546 50 10 GJCAMN Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1nnc(-c2ccccc2)s1 ZINC000101346617 570821054 /nfs/dbraw/zinc/82/10/54/570821054.db2.gz XHQULCAWDOZWKD-WJDWOHSUSA-N 0 1 395.875 4.577 50 10 GJCAMN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N(C)Cc1ccc(N(C)C)cc1 ZINC000007361352 570833980 /nfs/dbraw/zinc/83/39/80/570833980.db2.gz LNKBMPPUQPTNDX-IBGZPJMESA-N 0 1 387.527 4.879 50 10 GJCAMN CCCS(=O)(=O)Nc1cc(N(CC)CC)ccc1N=Nc1nccs1 ZINC000252588859 570997559 /nfs/dbraw/zinc/99/75/59/570997559.db2.gz AFIONMDBOURDST-UHFFFAOYSA-N 0 1 381.527 4.556 50 10 GJCAMN COc1ccc(-c2c(C)c3ccc([O-])c(C[N@H+]4CCC[C@@H](C)C4)c3oc2=O)cc1 ZINC000004340386 212145998 /nfs/dbraw/zinc/14/59/98/212145998.db2.gz BRLFVADWFABQPW-OAHLLOKOSA-N 0 1 393.483 4.715 50 10 GJCAMN COc1ccc(-c2c(C)oc3c(ccc([O-])c3C[N@H+]3CCC[C@H](C)C3)c2=O)cc1 ZINC000020411782 206297261 /nfs/dbraw/zinc/29/72/61/206297261.db2.gz XLIOEUNETUEZEJ-HNNXBMFYSA-N 0 1 393.483 4.715 50 10 biogenic GJCAMN C[N@@H+](CCc1ccccc1)Cc1cc(Br)cc(Br)c1[O-] ZINC000019632884 207143706 /nfs/dbraw/zinc/14/37/06/207143706.db2.gz XWYFVCGRTPSVBR-UHFFFAOYSA-N 0 1 399.126 4.592 50 10 GJCAMN CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)Cc1c(O)ccc2ccccc21 ZINC000013058853 221258705 /nfs/dbraw/zinc/25/87/05/221258705.db2.gz BTGDMFJOFYLKKJ-UHFFFAOYSA-N 0 1 393.874 4.870 50 10 GJCAMN O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1cccc(F)c1 ZINC000068732641 222173496 /nfs/dbraw/zinc/17/34/96/222173496.db2.gz FZTSNUXSMBLFQE-UHFFFAOYSA-N 0 1 389.835 4.511 50 10 GJCAMN CC[C@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccccc3OC)coc21 ZINC000019790386 570218922 /nfs/dbraw/zinc/21/89/22/570218922.db2.gz OPXBESCOSXERIC-INIZCTEOSA-N 0 1 393.483 4.939 50 10 GJCAMN Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000101346177 570282829 /nfs/dbraw/zinc/28/28/29/570282829.db2.gz XQCLJZZLGFYHMF-YBEGLDIGSA-N 0 1 384.823 4.584 50 10 GJCAMN Oc1ccc2c3nc4n[nH]cc4c(-c4cccc(OC(F)F)c4)c3oc2c1O ZINC000218260752 570329198 /nfs/dbraw/zinc/32/91/98/570329198.db2.gz CFDXJWUBGGABFS-UHFFFAOYSA-N 0 1 383.310 4.537 50 10 GJCAMN Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C(=O)c2ccccc2)c1 ZINC000005701289 570451728 /nfs/dbraw/zinc/45/17/28/570451728.db2.gz IIEROUFTGSFZKX-UHFFFAOYSA-N 0 1 385.872 4.680 50 10 GJCAMN O=[N+]([O-])c1ccc([C@@H]2Nc3c(O)cc(Cl)c([N+](=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000169688982 570615442 /nfs/dbraw/zinc/61/54/42/570615442.db2.gz WZGYQFWANGEGHU-WQGACYEGSA-N 0 1 387.779 4.689 50 10 GJCAMN COc1cccc(CN2CCCn3cccc3[C@H]2c2ccc(Cl)cc2)c1O ZINC000036347463 570628612 /nfs/dbraw/zinc/62/86/12/570628612.db2.gz ILOPGUHHROFSNW-OAQYLSRUSA-N 0 1 382.891 4.851 50 10 GJCAMN CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1ccccc1Cl ZINC000101114289 570814604 /nfs/dbraw/zinc/81/46/04/570814604.db2.gz KHDNZOQBUAMUSH-GXDHUFHOSA-N 0 1 390.668 4.821 50 10 GJCAMN Cc1[nH]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1ccccc1Cl ZINC000101114289 570814605 /nfs/dbraw/zinc/81/46/05/570814605.db2.gz KHDNZOQBUAMUSH-GXDHUFHOSA-N 0 1 390.668 4.821 50 10 GJCAMN CCn1cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c2ccccc21 ZINC000033334145 570988624 /nfs/dbraw/zinc/98/86/24/570988624.db2.gz RDALPBQHLOEHKY-PDGQHHTCSA-N 0 1 389.480 4.641 50 10 GJCAMN Cc1oc2ccc([O-])c(C[NH+]3CCCCC3)c2c1C(=O)Nc1ccc(C)cc1 ZINC000005182515 220841565 /nfs/dbraw/zinc/84/15/65/220841565.db2.gz GLZUJOAZKLDPQM-UHFFFAOYSA-N 0 1 378.472 4.993 50 10 GJCAMN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1cc([N+](=O)[O-])ccc1Cl ZINC000100044287 570265489 /nfs/dbraw/zinc/26/54/89/570265489.db2.gz OHFASWFSYHHIJV-YBEGLDIGSA-N 0 1 384.823 4.584 50 10 GJCAMN CCOC(=O)c1cc(CC)sc1N=Cc1c(C)[nH]n(-c2ccc(C)cc2)c1=O ZINC000100209359 570268627 /nfs/dbraw/zinc/26/86/27/570268627.db2.gz VAUDIEHNDDTBHO-LDADJPATSA-N 0 1 397.500 4.514 50 10 GJCAMN Cc1oc2ccc([O-])c(C[NH+]3CCC(C)CC3)c2c1C(=O)NC1CCCCC1 ZINC000006811157 570616261 /nfs/dbraw/zinc/61/62/61/570616261.db2.gz XJHWLILWUOHTGN-UHFFFAOYSA-N 0 1 384.520 4.741 50 10 GJCAMN Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1C1CCCCC1 ZINC000015800033 207061996 /nfs/dbraw/zinc/06/19/96/207061996.db2.gz BEZNITMERCOOHX-UNOMPAQXSA-N 0 1 395.459 4.705 50 10 GJCAMN Cc1cc(C)cc(NC(=O)[C@@H]2CC23CC[NH+](Cc2cc(Cl)ccc2[O-])CC3)c1 ZINC000011968849 221140275 /nfs/dbraw/zinc/14/02/75/221140275.db2.gz XRRDRQDEKCFARW-FQEVSTJZSA-N 0 1 398.934 4.903 50 10 GJCAMN Cc1c(Cl)cccc1-c1ccc(/C=C2/C(=O)NN(c3ccc(F)cc3)C2=O)o1 ZINC000015837031 221346980 /nfs/dbraw/zinc/34/69/80/221346980.db2.gz NLIJWBUUHABTON-BOPFTXTBSA-N 0 1 396.805 4.509 50 10 GJCAMN Cc1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000000683129 570217471 /nfs/dbraw/zinc/21/74/71/570217471.db2.gz FDMOYXDEVRCVPQ-UHFFFAOYSA-N 0 1 385.872 4.680 50 10 GJCAMN CC[C@@H]1CCCC[N@H+]1Cc1c([O-])c(Cl)cc2c3c(c(=O)oc21)CCCC3 ZINC000019800092 570220252 /nfs/dbraw/zinc/22/02/52/570220252.db2.gz LGEMGRJHQBCNPF-CYBMUJFWSA-N 0 1 375.896 4.795 50 10 GJCAMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2cccc(F)c2)C1 ZINC000020781402 570280356 /nfs/dbraw/zinc/28/03/56/570280356.db2.gz IOHOEJRYVDNTPY-HNNXBMFYSA-N 0 1 385.870 4.954 50 10 GJCAMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H](c2n[nH]cc2-c2cccc(F)c2)C1 ZINC000020781402 570280358 /nfs/dbraw/zinc/28/03/58/570280358.db2.gz IOHOEJRYVDNTPY-HNNXBMFYSA-N 0 1 385.870 4.954 50 10 GJCAMN Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1cc([N+](=O)[O-])ccc1Cl ZINC000101083885 570797329 /nfs/dbraw/zinc/79/73/29/570797329.db2.gz HSILCZRXMJKCBK-NTEUORMPSA-N 0 1 391.214 4.620 50 10 GJCAMN COc1ccc(-c2c(C)c3ccc([O-])c(C[N@H+]4CCC[C@H](C)C4)c3oc2=O)cc1 ZINC000004340382 206293698 /nfs/dbraw/zinc/29/36/98/206293698.db2.gz BRLFVADWFABQPW-HNNXBMFYSA-N 0 1 393.483 4.715 50 10 GJCAMN COc1cc([N+](=O)[O-])cc(C[N@@H+](CCc2ccccc2)Cc2ccccc2)c1[O-] ZINC000000759077 206319887 /nfs/dbraw/zinc/31/98/87/206319887.db2.gz OCCXKQWISOKWDY-UHFFFAOYSA-N 0 1 392.455 4.554 50 10 GJCAMN CCCC[N@@H+](CC)Cc1c([O-])ccc2c(=O)c(-c3ccccc3OC)coc21 ZINC000019790395 207162032 /nfs/dbraw/zinc/16/20/32/207162032.db2.gz JIVIVOGQAJHJAH-UHFFFAOYSA-N 0 1 381.472 4.796 50 10 biogenic GJCAMN O=C1NC(=S)N(c2ccccc2)C(=O)C1=Cc1ccc(-c2cccc(F)c2)o1 ZINC000016956433 221374789 /nfs/dbraw/zinc/37/47/89/221374789.db2.gz QCPCFLRTZVCUPT-ATVHPVEESA-N 0 1 392.411 4.757 50 10 GJCAMN Cc1oc2ccc([O-])c(C[NH+]3CCCC3)c2c1C(=O)Nc1ccc(C)cc1C ZINC000005182462 570496604 /nfs/dbraw/zinc/49/66/04/570496604.db2.gz HHVZNGMGMRJWPG-UHFFFAOYSA-N 0 1 378.472 4.912 50 10 GJCAMN Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1nnc(-c2ccccc2)s1 ZINC000101114477 570814436 /nfs/dbraw/zinc/81/44/36/570814436.db2.gz XHQULCAWDOZWKD-LFIBNONCSA-N 0 1 395.875 4.577 50 10 GJCAMN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=NNc1ccc(N2CCOCC2)cc1 ZINC000252609030 571009488 /nfs/dbraw/zinc/00/94/88/571009488.db2.gz HPKAXVQIWMGCBV-UHFFFAOYSA-N 0 1 397.866 4.792 50 10 GJCAMN COc1ccccc1Oc1coc2c(ccc([O-])c2C[N@H+]2CCC[C@H](C)C2)c1=O ZINC000020390868 207190338 /nfs/dbraw/zinc/19/03/38/207190338.db2.gz KZVGKNAVBHUTEK-HNNXBMFYSA-N 0 1 395.455 4.531 50 10 biogenic GJCAMN Cc1cnc(C)c(-c2ccc([O-])c(C[NH+]3CCC(Cc4ccccc4)CC3)c2)n1 ZINC000011783328 221125087 /nfs/dbraw/zinc/12/50/87/221125087.db2.gz CNOUIOUNIRERJJ-UHFFFAOYSA-N 0 1 387.527 4.921 50 10 GJCAMN Cc1ccc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1 ZINC000064678951 136157506 /nfs/dbraw/zinc/15/75/06/136157506.db2.gz DYOYEHWFTUFVOH-XFXZXTDPSA-N 0 1 391.279 4.973 50 10 GJCAMN CC(C)(C)[N-][N+](=O)c1c(Br)cc(Br)cc1[N+](=O)[O-] ZINC000063772510 222068084 /nfs/dbraw/zinc/06/80/84/222068084.db2.gz CMTPPSIUBDJINO-YPKPFQOOSA-N 0 1 381.024 4.512 50 10 GJCAMN CN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1c(O)ccc2ccccc21 ZINC000005067800 570410663 /nfs/dbraw/zinc/41/06/63/570410663.db2.gz TUVCLDJAQUPYDA-UHFFFAOYSA-N 0 1 388.389 4.635 50 10 GJCAMN COc1ccc(Oc2coc3c(ccc([O-])c3C[N@H+]3CCC[C@@H](C)C3)c2=O)cc1 ZINC000005185281 570497703 /nfs/dbraw/zinc/49/77/03/570497703.db2.gz WMLNZZILBDNROI-OAHLLOKOSA-N 0 1 395.455 4.531 50 10 GJCAMN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1Cl ZINC000100922833 570780926 /nfs/dbraw/zinc/78/09/26/570780926.db2.gz WFGFKGPBSLVKQM-YBEGLDIGSA-N 0 1 384.823 4.584 50 10 GJCAMN Cc1cnc(C)c(-c2ccc([O-])c(C[NH2+]Cc3ccccc3C(F)(F)F)c2)n1 ZINC000299757448 570892414 /nfs/dbraw/zinc/89/24/14/570892414.db2.gz HNBQXMVABREVGV-UHFFFAOYSA-N 0 1 387.405 4.775 50 10 GJCAMN Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000100044360 208372315 /nfs/dbraw/zinc/37/23/15/208372315.db2.gz LHAYGZMZRMVADV-NTEUORMPSA-N 0 1 391.214 4.620 50 10 GJCAMN O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)C1=Cc1cccs1 ZINC000000657181 136192868 /nfs/dbraw/zinc/19/28/68/136192868.db2.gz YTMGVGLVYQSCEK-YFHOEESVSA-N 0 1 383.281 4.727 50 10 GJCAMN COc1ccccc1-c1coc2c(ccc([O-])c2C[N@@H+]2[C@H](C)CCC[C@@H]2C)c1=O ZINC000013125337 570747485 /nfs/dbraw/zinc/74/74/85/570747485.db2.gz HITBXRASXIBMQP-IYBDPMFKSA-N 0 1 393.483 4.937 50 10 biogenic GJCAMN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000101357774 570819737 /nfs/dbraw/zinc/81/97/37/570819737.db2.gz GQJJBZKRMYWFMT-YBEGLDIGSA-N 0 1 384.823 4.584 50 10 GJCAMN CCn1cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c2ccccc21 ZINC000001270101 206370304 /nfs/dbraw/zinc/37/03/04/206370304.db2.gz RDALPBQHLOEHKY-LDADJPATSA-N 0 1 389.480 4.641 50 10 GJCAMN COc1ccc(N2CCN(Cc3cc(C(C)C)c(O)c(C(C)C)c3)CC2)cc1 ZINC000063110738 136156421 /nfs/dbraw/zinc/15/64/21/136156421.db2.gz JDRKZVNXMWECLM-UHFFFAOYSA-N 0 1 382.548 4.970 50 10 GJCAMN Cc1oc2ccc([O-])c(C[NH+]3CCC(C)CC3)c2c1C(=O)Nc1ccccc1 ZINC000005182623 570496296 /nfs/dbraw/zinc/49/62/96/570496296.db2.gz QKBWXSVQVOOCRC-UHFFFAOYSA-N 0 1 378.472 4.931 50 10 GJCAMN Cc1oc2ccc([O-])c(C[N@H+]3CCC[C@H](C)C3)c2c1C(=O)NC1CCCCC1 ZINC000006811155 570616183 /nfs/dbraw/zinc/61/61/83/570616183.db2.gz FLQSUCUCRGVBFL-HNNXBMFYSA-N 0 1 384.520 4.741 50 10 GJCAMN Cc1oc2ccc([O-])c(C[N@@H+]3CCC[C@H](C)C3)c2c1C(=O)NC1CCCCC1 ZINC000006811155 570616186 /nfs/dbraw/zinc/61/61/86/570616186.db2.gz FLQSUCUCRGVBFL-HNNXBMFYSA-N 0 1 384.520 4.741 50 10 GJCAMN Cn1c(-c2ccc(Br)cc2)cnc1NCc1cc(Cl)ccc1O ZINC000004678300 570824290 /nfs/dbraw/zinc/82/42/90/570824290.db2.gz IHOMIQDPAVQEQK-UHFFFAOYSA-N 0 1 392.684 4.821 50 10 GJCAMN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000100501236 208375444 /nfs/dbraw/zinc/37/54/44/208375444.db2.gz AEEDXFZQPFBBDE-YBEGLDIGSA-N 0 1 384.823 4.584 50 10 GJCAMN CC[C@H]1CCCC[N@H+]1Cc1c([O-])c(Cl)cc2c3c(c(=O)oc21)CCCC3 ZINC000019800094 570220345 /nfs/dbraw/zinc/22/03/45/570220345.db2.gz LGEMGRJHQBCNPF-ZDUSSCGKSA-N 0 1 375.896 4.795 50 10 GJCAMN CC(C)Cn1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc21 ZINC000002587745 570291532 /nfs/dbraw/zinc/29/15/32/570291532.db2.gz IEYLKIHMKIKNLQ-UNOMPAQXSA-N 0 1 393.487 4.932 50 10 GJCAMN CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(C[N@H+]2CCCC[C@@H]2C)c1[O-] ZINC000004824778 570292218 /nfs/dbraw/zinc/29/22/18/570292218.db2.gz FOSBHTHVGCKDJJ-AWEZNQCLSA-N 0 1 398.528 4.867 50 10 GJCAMN Cc1cc2oc(=O)c(C)c(C)c2c(O)c1C1=NN[C@@H](c2ccccc2Cl)C1 ZINC000012408729 570655347 /nfs/dbraw/zinc/65/53/47/570655347.db2.gz URDNJPOXCAMFGY-OAHLLOKOSA-N 0 1 382.847 4.516 50 10 GJCAMN COc1ccc(-c2coc3c(ccc([O-])c3C[N@H+]3CCCC[C@H]3C)c2=O)cc1 ZINC000020411728 206296843 /nfs/dbraw/zinc/29/68/43/206296843.db2.gz PYJVKFYMNGEDKC-OAHLLOKOSA-N 0 1 379.456 4.549 50 10 biogenic GJCAMN O=[N+]([O-])c1ccc([C@@H]2Nc3c(O)cc(Cl)c([N+](=O)[O-])c3[C@@H]3C=CC[C@H]32)cc1 ZINC000239235918 570428602 /nfs/dbraw/zinc/42/86/02/570428602.db2.gz WZGYQFWANGEGHU-HSMVNMDESA-N 0 1 387.779 4.689 50 10 GJCAMN Cc1oc2ccc([O-])c(C[N@H+]3CCCC[C@H]3C)c2c1C(=O)NC1CCCCC1 ZINC000006811154 570616139 /nfs/dbraw/zinc/61/61/39/570616139.db2.gz HEGOQCHHMDGGSG-OAHLLOKOSA-N 0 1 384.520 4.884 50 10 GJCAMN Cc1oc2ccc([O-])c(C[N@@H+]3CCCC[C@H]3C)c2c1C(=O)NC1CCCCC1 ZINC000006811154 570616141 /nfs/dbraw/zinc/61/61/41/570616141.db2.gz HEGOQCHHMDGGSG-OAHLLOKOSA-N 0 1 384.520 4.884 50 10 GJCAMN Cc1cc2oc(=O)c(Cc3ccccc3)c(C)c2c([O-])c1C[N@@H+]1CCC[C@@H](C)C1 ZINC000020290767 207187122 /nfs/dbraw/zinc/18/71/22/207187122.db2.gz ICMSVXKABUIKEH-MRXNPFEDSA-N 0 1 391.511 4.938 50 10 GJCAMN CCOCc1cc(CN[C@H](C)c2cnn(-c3cccc(F)c3)c2C)ccc1OC ZINC000012200092 221166568 /nfs/dbraw/zinc/16/65/68/221166568.db2.gz QXHBIHGWOOUROD-MRXNPFEDSA-N 0 1 397.494 4.716 50 10 GJCAMN O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000004587876 570386132 /nfs/dbraw/zinc/38/61/32/570386132.db2.gz IWKVLLDLPZBWSW-UHFFFAOYSA-N 0 1 389.835 4.511 50 10 GJCAMN Cc1oc2ccc([O-])c(C[N@H+]3CCC[C@H](C)C3)c2c1C(=O)Nc1ccccc1 ZINC000005182580 570496032 /nfs/dbraw/zinc/49/60/32/570496032.db2.gz MBMRXFVFSYRHJW-HNNXBMFYSA-N 0 1 378.472 4.931 50 10 GJCAMN Cc1oc2ccc([O-])c(C[N@@H+]3CCC[C@H](C)C3)c2c1C(=O)Nc1ccccc1 ZINC000005182580 570496035 /nfs/dbraw/zinc/49/60/35/570496035.db2.gz MBMRXFVFSYRHJW-HNNXBMFYSA-N 0 1 378.472 4.931 50 10 GJCAMN Cc1oc2ccc([O-])c(C[NH+]3CCCCCC3)c2c1C(=O)NCc1ccccc1 ZINC000005182725 570496330 /nfs/dbraw/zinc/49/63/30/570496330.db2.gz UVSZVXTWCBEEDX-UHFFFAOYSA-N 0 1 392.499 4.753 50 10 GJCAMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(CO)(Cc2ccccc2Cl)CC1 ZINC000012210667 570627303 /nfs/dbraw/zinc/62/73/03/570627303.db2.gz ZZTVGDBNQOPIHQ-UHFFFAOYSA-N 0 1 380.315 4.516 50 10 GJCAMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000017028017 570924724 /nfs/dbraw/zinc/92/47/24/570924724.db2.gz IBOPKISDVWVFFQ-MHWRWJLKSA-N 0 1 396.786 4.695 50 10 GJCAMN COc1ccc(C[NH2+]Cc2cc(-c3nc4ccccc4s3)ccc2[O-])cc1 ZINC000011871688 221133822 /nfs/dbraw/zinc/13/38/22/221133822.db2.gz GNQFUEAEYQPUBP-UHFFFAOYSA-N 0 1 376.481 4.967 50 10 GJCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c(C)[nH]1 ZINC000017163225 221381390 /nfs/dbraw/zinc/38/13/90/221381390.db2.gz IOAIOWJCDWSYTP-LNKIKWGQSA-N 0 1 394.283 4.610 50 10 GJCAMN CC[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccccc3OC)coc21 ZINC000019790385 570219089 /nfs/dbraw/zinc/21/90/89/570219089.db2.gz OPXBESCOSXERIC-MRXNPFEDSA-N 0 1 393.483 4.939 50 10 GJCAMN Cc1oc2ccc([O-])c(C[NH+]3CCC(C)CC3)c2c1C(=O)NCc1ccccc1 ZINC000005182635 570496653 /nfs/dbraw/zinc/49/66/53/570496653.db2.gz HIYXWLOZPNDEAC-UHFFFAOYSA-N 0 1 392.499 4.609 50 10 GJCAMN Cc1oc2ccc([O-])c(C[N@H+]3CCC[C@@H](C)C3)c2c1C(=O)NC1CCCCC1 ZINC000006811156 570616225 /nfs/dbraw/zinc/61/62/25/570616225.db2.gz FLQSUCUCRGVBFL-OAHLLOKOSA-N 0 1 384.520 4.741 50 10 GJCAMN Cc1oc2ccc([O-])c(C[N@@H+]3CCC[C@@H](C)C3)c2c1C(=O)NC1CCCCC1 ZINC000006811156 570616228 /nfs/dbraw/zinc/61/62/28/570616228.db2.gz FLQSUCUCRGVBFL-OAHLLOKOSA-N 0 1 384.520 4.741 50 10 GJCAMN COc1ccccc1-c1c(C)oc2c(ccc([O-])c2C[N@H+]2CCCC[C@@H]2C)c1=O ZINC000003653128 212146150 /nfs/dbraw/zinc/14/61/50/212146150.db2.gz LEXIIBMSVNOCIL-HNNXBMFYSA-N 0 1 393.483 4.857 50 10 biogenic GJCAMN COc1ccccc1Oc1coc2c(ccc([O-])c2C[N@H+]2CCCC[C@H]2C)c1=O ZINC000020394735 206297509 /nfs/dbraw/zinc/29/75/09/206297509.db2.gz UXQROXIAEXJEEX-OAHLLOKOSA-N 0 1 395.455 4.674 50 10 biogenic GJCAMN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000100024997 208369857 /nfs/dbraw/zinc/36/98/57/208369857.db2.gz GQJJBZKRMYWFMT-MHWRWJLKSA-N 0 1 384.823 4.584 50 10 GJCAMN Cc1cnc(C)c(-c2ccc([O-])c(C[N@H+]3CC=C(c4ccc(F)cc4)CC3)c2)n1 ZINC000012454200 221198562 /nfs/dbraw/zinc/19/85/62/221198562.db2.gz FEIYVNFGEZPQJI-UHFFFAOYSA-N 0 1 389.474 4.894 50 10 GJCAMN Cc1cnc(C)c(-c2ccc([O-])c(C[N@@H+]3CC=C(c4ccc(F)cc4)CC3)c2)n1 ZINC000012454200 221198565 /nfs/dbraw/zinc/19/85/65/221198565.db2.gz FEIYVNFGEZPQJI-UHFFFAOYSA-N 0 1 389.474 4.894 50 10 GJCAMN CCOC(=O)c1c(C)c(C)sc1N=Cc1c(C)[nH]n(-c2ccc(C)cc2)c1=O ZINC000100517996 570272908 /nfs/dbraw/zinc/27/29/08/570272908.db2.gz VLQHTJCBTWNDRH-GZTJUZNOSA-N 0 1 397.500 4.569 50 10 GJCAMN Cc1nc2cc(NC=C3C(C)=NN(c4cccc5ccccc54)C3=O)ccc2[nH]1 ZINC000005336361 570556197 /nfs/dbraw/zinc/55/61/97/570556197.db2.gz XTMMZHZXHRZASG-UYRXBGFRSA-N 0 1 381.439 4.743 50 10 GJCAMN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 ZINC000005688713 570810451 /nfs/dbraw/zinc/81/04/51/570810451.db2.gz KXOQURSYRIUBLU-JOCHJYFZSA-N 0 1 391.515 4.644 50 10 GJCAMN [O-]c1c([C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)ccc2cccnc21 ZINC000004871543 570933968 /nfs/dbraw/zinc/93/39/68/570933968.db2.gz VMPFQVVBVXXCJQ-LJQANCHMSA-N 0 1 383.289 4.888 50 10 GJCAMN COc1cccc(Oc2coc3c(ccc([O-])c3C[N@H+]3CCCC[C@@H]3C)c2=O)c1 ZINC000005219028 206293590 /nfs/dbraw/zinc/29/35/90/206293590.db2.gz NKOSXXUTYNCMTD-HNNXBMFYSA-N 0 1 395.455 4.674 50 10 biogenic GJCAMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1ccsc1 ZINC000027533428 207327442 /nfs/dbraw/zinc/32/74/42/207327442.db2.gz FNBZBJJBIXLSRM-RMKNXTFCSA-N 0 1 383.281 4.727 50 10 GJCAMN [O-]c1ccc(-c2ccccn2)cc1C[NH2+]CC1(N2CCCCC2)CCCCC1 ZINC000032529732 207398056 /nfs/dbraw/zinc/39/80/56/207398056.db2.gz AYLJFTKRIHMHCH-UHFFFAOYSA-N 0 1 379.548 4.733 50 10 GJCAMN CC(C)c1c2oc3c(ccc(O)c3O)c2nc2c1c(=O)[nH]n2C1CCCCC1 ZINC000085876113 570262952 /nfs/dbraw/zinc/26/29/52/570262952.db2.gz FAKYNPPVCLKIKS-UHFFFAOYSA-N 0 1 381.432 4.664 50 10 biogenic GJCAMN CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(C[N@H+]2CCCC[C@H]2C)c1[O-] ZINC000004824782 570292236 /nfs/dbraw/zinc/29/22/36/570292236.db2.gz FOSBHTHVGCKDJJ-CQSZACIVSA-N 0 1 398.528 4.867 50 10 GJCAMN O=C(Nc1ccc(-c2ccco2)cc1)[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000039358086 570589282 /nfs/dbraw/zinc/58/92/82/570589282.db2.gz KEVOERSWOZWCEO-IBGZPJMESA-N 0 1 376.456 4.503 50 10 GJCAMN Cc1c2ccc([O-])c(C[N@@H+]3CCC[C@@H](C)C3)c2oc(=O)c1Cc1ccccc1 ZINC000001256335 212232324 /nfs/dbraw/zinc/23/23/24/212232324.db2.gz BHJNDUBILNOCKM-MRXNPFEDSA-N 0 1 377.484 4.630 50 10 GJCAMN COc1ccc(-c2coc3c(ccc([O-])c3C[N@H+]3CCCC[C@@H]3C)c2=O)cc1 ZINC000020411724 206296306 /nfs/dbraw/zinc/29/63/06/206296306.db2.gz PYJVKFYMNGEDKC-HNNXBMFYSA-N 0 1 379.456 4.549 50 10 biogenic GJCAMN COc1ccccc1[C@@H]1CN(Cc2c(O)cccc2OC)Cc2ccccc2O1 ZINC000020910731 207219833 /nfs/dbraw/zinc/21/98/33/207219833.db2.gz DLAVEMMBYVWVFT-DEOSSOPVSA-N 0 1 391.467 4.545 50 10 GJCAMN O=c1c(C23CC4CC(CC(C4)C2)C3)c(O)n(-c2ccccc2)n1-c1ccccc1 ZINC000100301154 208373563 /nfs/dbraw/zinc/37/35/63/208373563.db2.gz KJUJZBCNDZBMFW-UHFFFAOYSA-N 0 1 386.495 4.814 50 10 GJCAMN CCOCc1cc(CN[C@@H](C)c2cnn(-c3ccccc3)c2C)ccc1OC ZINC000012704607 517709278 /nfs/dbraw/zinc/70/92/78/517709278.db2.gz MYBDMOVKFLYFMP-KRWDZBQOSA-N 0 1 379.504 4.577 50 10 GJCAMN Cc1cc2oc(=O)c(Cc3ccccc3)c(C)c2c([O-])c1C[N@@H+]1CCC[C@H](C)C1 ZINC000020290769 570251884 /nfs/dbraw/zinc/25/18/84/570251884.db2.gz ICMSVXKABUIKEH-INIZCTEOSA-N 0 1 391.511 4.938 50 10 GJCAMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000033352764 570407148 /nfs/dbraw/zinc/40/71/48/570407148.db2.gz IBOPKISDVWVFFQ-YBEGLDIGSA-N 0 1 396.786 4.695 50 10 GJCAMN Cc1oc2ccc([O-])c(C[NH+]3CCCCC3)c2c1C(=O)OCCc1ccccc1 ZINC000005182498 570496497 /nfs/dbraw/zinc/49/64/97/570496497.db2.gz KZDUJLPWBJQVHG-UHFFFAOYSA-N 0 1 393.483 4.832 50 10 GJCAMN Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1Cl ZINC000100922783 570781080 /nfs/dbraw/zinc/78/10/80/570781080.db2.gz FGIOXGLZPNIWKO-ZROIWOOFSA-N 0 1 391.214 4.620 50 10 GJCAMN CC[N@@H+](Cc1ccccc1)Cc1cc(Br)cc(Br)c1[O-] ZINC000019635168 571022338 /nfs/dbraw/zinc/02/23/38/571022338.db2.gz YZHMVXLCUILPKN-UHFFFAOYSA-N 0 1 399.126 4.939 50 10 GJCAMN Cc1cc2oc(=O)c(C)c(C)c2c(O)c1C1=NN[C@H](c2ccccc2Cl)C1 ZINC000012408730 221190592 /nfs/dbraw/zinc/19/05/92/221190592.db2.gz URDNJPOXCAMFGY-HNNXBMFYSA-N 0 1 382.847 4.516 50 10 GJCAMN Cn1cc(C=C2C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c2ccccc21 ZINC000001249107 136196214 /nfs/dbraw/zinc/19/62/14/136196214.db2.gz WDSBTCIKRCVGIR-GXDHUFHOSA-N 0 1 395.871 4.503 50 10 GJCAMN Cc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 ZINC000068741001 222172943 /nfs/dbraw/zinc/17/29/43/222172943.db2.gz ZPIPBGWCBDEIAH-UHFFFAOYSA-N 0 1 385.872 4.680 50 10 GJCAMN Cc1ccc(OCc2nc(CNCCCSc3nccs3)cs2)cc1 ZINC000072310914 570537439 /nfs/dbraw/zinc/53/74/39/570537439.db2.gz LOFJMXOHYQAJGU-UHFFFAOYSA-N 0 1 391.587 4.759 50 10 GJCAMN Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4C)o3)C2=O)cc1 ZINC000006029923 570815314 /nfs/dbraw/zinc/81/53/14/570815314.db2.gz LTLJLRJEDUOFFX-PDGQHHTCSA-N 0 1 392.842 4.678 50 10 GJCAMN CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Cl)cc(Cl)c2[O-])N3)C1 ZINC000004556422 570882954 /nfs/dbraw/zinc/88/29/54/570882954.db2.gz KFXLEDWFTFXUQB-HNNXBMFYSA-N 0 1 398.315 4.567 50 10 GJCAMN Cc1cc(C(=O)CSc2nc(C3CC3)n[nH]2)c(C)n1-c1ccc(C)c(F)c1 ZINC000011275507 570921795 /nfs/dbraw/zinc/92/17/95/570921795.db2.gz NAQOQYKZZVKETG-UHFFFAOYSA-N 0 1 384.480 4.512 50 10 GJCAMN Cc1cc(C(=O)CSc2n[nH]c(C3CC3)n2)c(C)n1-c1ccc(C)c(F)c1 ZINC000011275507 570921796 /nfs/dbraw/zinc/92/17/96/570921796.db2.gz NAQOQYKZZVKETG-UHFFFAOYSA-N 0 1 384.480 4.512 50 10 GJCAMN