smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)NCc3ccc4c(c3)OCO4)cc2)cc1 ZINC000001065629 194014061 /nfs/dbraw/zinc/01/40/61/194014061.db2.gz UVFBIAVNQBCZAZ-UHFFFAOYSA-N -1 1 452.532 3.774 50 0 JHAAMM O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000009869486 195005544 /nfs/dbraw/zinc/00/55/44/195005544.db2.gz YKWJSDOTTGALKK-UHFFFAOYSA-N -1 1 493.541 3.638 50 0 JHAAMM O=S(=O)([N-]c1ccc(SCc2cccnc2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009968759 195041458 /nfs/dbraw/zinc/04/14/58/195041458.db2.gz XOBKPCFHUNNTDO-UHFFFAOYSA-N -1 1 489.644 3.959 50 0 JHAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)COc2ccc(Cl)cc2Br)c1 ZINC000012756817 195108926 /nfs/dbraw/zinc/10/89/26/195108926.db2.gz XGHXNZDWCZNFLC-UHFFFAOYSA-N -1 1 491.791 3.856 50 0 JHAAMM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000020761418 195217805 /nfs/dbraw/zinc/21/78/05/195217805.db2.gz RESXCVLESBEZFU-NRFANRHFSA-N -1 1 498.491 3.838 50 0 biogenic JHAAMM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000020761418 195217808 /nfs/dbraw/zinc/21/78/08/195217808.db2.gz RESXCVLESBEZFU-NRFANRHFSA-N -1 1 498.491 3.838 50 0 biogenic JHAAMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3n[nH]c(=O)c4c3CCCC4)ccc2C)c1 ZINC000020893814 195238589 /nfs/dbraw/zinc/23/85/89/195238589.db2.gz BWFJTISFCRXQNO-UHFFFAOYSA-N -1 1 467.547 3.602 50 0 JHAAMM C[C@H]1Cc2ccccc2N1C(=O)CSc1nc(-c2cccc(Cl)c2)nc2cc(=O)[n-]n21 ZINC000021911149 195329467 /nfs/dbraw/zinc/32/94/67/195329467.db2.gz FBZQMZIJCIXWCQ-ZDUSSCGKSA-N -1 1 451.939 3.808 50 0 JHAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000058009431 195362158 /nfs/dbraw/zinc/36/21/58/195362158.db2.gz NRIPRENJIOZIDC-UHFFFAOYSA-N -1 1 457.596 3.949 50 0 JHAAMM O=C(CCn1c(=O)sc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc21)N1CCCCC1 ZINC000096324051 130068095 /nfs/dbraw/zinc/06/80/95/130068095.db2.gz WMTNZEYOWASBJM-UHFFFAOYSA-N -1 1 480.011 3.920 50 0 JHAAMM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3c(C)nn4c3NC(=O)CCC4=O)ccc2C)c1 ZINC000033123101 518445908 /nfs/dbraw/zinc/44/59/08/518445908.db2.gz NWUTUZNMXFPWQL-UHFFFAOYSA-N -1 1 466.519 3.543 50 0 JHAAMM CCCC(=O)NCc1cc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc(C(=O)OC)c1 ZINC000012278950 519874176 /nfs/dbraw/zinc/87/41/76/519874176.db2.gz LAZPYNTWQQXALQ-UHFFFAOYSA-N -1 1 458.458 3.709 50 0 JHAAMM CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000021712913 519890739 /nfs/dbraw/zinc/89/07/39/519890739.db2.gz QLZUXAFWHMTUCF-NRFANRHFSA-N -1 1 457.596 3.543 50 0 JHAAMM CCCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000021712910 519896864 /nfs/dbraw/zinc/89/68/64/519896864.db2.gz XPVUIFNBSGHQNW-JOCHJYFZSA-N -1 1 471.623 3.916 50 0 JHAAMM CCOc1cc([C@@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[n-]c(=O)c32)ccc1OCC(N)=O ZINC000021784651 520777330 /nfs/dbraw/zinc/77/73/30/520777330.db2.gz ONIPYGUTUGXHDH-KRWDZBQOSA-N -1 1 494.573 3.520 50 0 JHAAMM CCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](CC(=O)N2CCCC2)CS3)c1 ZINC000033290382 521771893 /nfs/dbraw/zinc/77/18/93/521771893.db2.gz BYFIOZQLJLYGLF-KRWDZBQOSA-N -1 1 473.620 3.723 50 0 JHAAMM COC(=O)c1ccc(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)cc1 ZINC000012526039 522025116 /nfs/dbraw/zinc/02/51/16/522025116.db2.gz LFDIKDJUVSWGQX-UHFFFAOYSA-N -1 1 452.532 3.821 50 0 JHAAMM CN(Cc1cccc(F)c1)C(=O)COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000022659611 523308657 /nfs/dbraw/zinc/30/86/57/523308657.db2.gz DFZMLHGJLZFHEN-UHFFFAOYSA-N -1 1 474.485 3.581 50 0 JHAAMM CCn1nc(C)c(CCN(C)c2ccc(NS(=O)(=O)c3cc(F)ccc3F)cc2C(=O)[O-])c1C ZINC000033253794 523632421 /nfs/dbraw/zinc/63/24/21/523632421.db2.gz GCPHVQQLRHDJIK-UHFFFAOYSA-N -1 1 492.548 3.976 50 0 JHAAMM COCCNC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)nc1 ZINC000033138421 523926475 /nfs/dbraw/zinc/92/64/75/523926475.db2.gz UJGHTMYNNNNINP-UHFFFAOYSA-N -1 1 461.540 3.549 50 0 JHAAMM Cc1cc(C(F)F)n2nc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)nc2n1 ZINC000002768678 524208305 /nfs/dbraw/zinc/20/83/05/524208305.db2.gz AKGYCNPWHIBYNJ-UHFFFAOYSA-N -1 1 472.477 3.732 50 0 JHAAMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCC[C@H](C(=O)NCc3ccccc3)C2)c1 ZINC000021710253 525335501 /nfs/dbraw/zinc/33/55/01/525335501.db2.gz VHWUKXOYLLGOGL-QHCPKHFHSA-N -1 1 491.613 3.964 50 0 JHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H](C(=O)NCCC(C)C)C3)cc2)cc1 ZINC000021706523 525596743 /nfs/dbraw/zinc/59/67/43/525596743.db2.gz ZTSFZLSSCQJEAT-OAQYLSRUSA-N -1 1 471.623 3.810 50 0 JHAAMM Cc1c(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])cnn1-c1cccc(C(F)(F)F)c1 ZINC000029566778 525652577 /nfs/dbraw/zinc/65/25/77/525652577.db2.gz LNPJTZJOESPVLY-UHFFFAOYSA-N -1 1 494.495 3.942 50 0 JHAAMM O=C(NC[C@H]1CCCO1)C1(c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000033115270 526597534 /nfs/dbraw/zinc/59/75/34/526597534.db2.gz XPFSRXUEMVXXGU-GOSISDBHSA-N -1 1 479.396 3.577 50 0 JHAAMM O=C(NCc1ccco1)C1CCN(c2nc(=O)c3scc(-c4ccccc4F)c3[n-]2)CC1 ZINC000049421077 526774624 /nfs/dbraw/zinc/77/46/24/526774624.db2.gz TVYGNPIIBCCQQI-UHFFFAOYSA-N -1 1 452.511 3.917 50 0 JHAAMM O=C(CSc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)[n-]1)Nc1cc(F)ccc1F ZINC000002693946 554291421 /nfs/dbraw/zinc/29/14/21/554291421.db2.gz FBRMCQHQIVEPRP-UHFFFAOYSA-N -1 1 471.894 3.677 50 0 JHAAMM COc1ccc(CCNC(=O)[C@H](C)Sc2nnc(-c3cc(Cl)ccc3[O-])n2C)cc1OC ZINC000002862697 554389501 /nfs/dbraw/zinc/38/95/01/554389501.db2.gz WOTDNYOCVIDUGB-ZDUSSCGKSA-N -1 1 476.986 3.698 50 0 JHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OCC(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)cc1C ZINC000006144337 554510318 /nfs/dbraw/zinc/51/03/18/554510318.db2.gz YTCCPVUIABNJNG-IAGOWNOFSA-N -1 1 458.580 3.766 50 0 JHAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OCC(=O)Nc3ccc(OC)cc3)cc2)cc1 ZINC000006268108 554523636 /nfs/dbraw/zinc/52/36/36/554523636.db2.gz JDXXOIXCLYFDPM-UHFFFAOYSA-N -1 1 484.530 3.690 50 0 JHAAMM O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000009220098 554989054 /nfs/dbraw/zinc/98/90/54/554989054.db2.gz XEYANPVKWMQBTH-UHFFFAOYSA-N -1 1 471.485 3.910 50 0 JHAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2SCc2cc(=O)n3oc(C)cc3n2)cc1 ZINC000009228294 555002111 /nfs/dbraw/zinc/00/21/11/555002111.db2.gz OEYKBMSWFRVIDV-UHFFFAOYSA-N -1 1 484.559 3.647 50 0 JHAAMM Cc1cccc(OCCNC(=O)c2ccc(NC(=O)Cc3sc(N4CCCCC4)nc3[O-])cc2)c1 ZINC000009255167 555031278 /nfs/dbraw/zinc/03/12/78/555031278.db2.gz JXTXULLUZPLANG-QFIPXVFZSA-N -1 1 494.617 3.616 50 0 JHAAMM O=C(Cc1sc(N2CCCC2)nc1[O-])Nc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000009417063 555184555 /nfs/dbraw/zinc/18/45/55/555184555.db2.gz QRLWYRRCHYIKEQ-FGZHOGPDSA-N -1 1 476.602 3.916 50 0 JHAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)c1ccc2c(c1)OCO2 ZINC000009467473 555244791 /nfs/dbraw/zinc/24/47/91/555244791.db2.gz RNBOBDJPYBYJBP-UHFFFAOYSA-N -1 1 468.487 3.630 50 0 JHAAMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)Nc1ccc(N2CCCC2=O)cc1 ZINC000009467853 555245991 /nfs/dbraw/zinc/24/59/91/555245991.db2.gz ZZOXXFZAWJBMGK-UHFFFAOYSA-N -1 1 467.522 3.935 50 0 JHAAMM O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)nc2n3CCCCC2)cc1 ZINC000009468533 555248501 /nfs/dbraw/zinc/24/85/01/555248501.db2.gz JMYYKFOFIMBCHE-UHFFFAOYSA-N -1 1 466.485 3.856 50 0 JHAAMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCOCC2)cc1Br ZINC000009509225 555296773 /nfs/dbraw/zinc/29/67/73/555296773.db2.gz ZORWMAPJRKEYCO-UHFFFAOYSA-N -1 1 461.765 3.749 50 0 JHAAMM COCCCNC(=O)CSc1nc2c(sc(=S)n2-c2cc(Cl)ccc2OC)c(=O)[n-]1 ZINC000013138882 555336018 /nfs/dbraw/zinc/33/60/18/555336018.db2.gz JUVNAOUOVKQOOI-UHFFFAOYSA-N -1 1 487.028 3.824 50 0 JHAAMM CS(=O)(=O)c1ccc(-c2cccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)nn1 ZINC000009572669 555369731 /nfs/dbraw/zinc/36/97/31/555369731.db2.gz FDGBGEBNCQWYSF-UHFFFAOYSA-N -1 1 458.348 3.655 50 0 JHAAMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000009666146 555377848 /nfs/dbraw/zinc/37/78/48/555377848.db2.gz QDNHNAZTKJALMX-UHFFFAOYSA-N -1 1 494.404 3.895 50 0 JHAAMM CC(C)CNC(=O)[C@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2)C1 ZINC000013352512 555380951 /nfs/dbraw/zinc/38/09/51/555380951.db2.gz GEDJEXFXSJWHSS-QHCPKHFHSA-N -1 1 497.661 3.991 50 0 JHAAMM COc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(C(=O)NC4CCCCC4)CC3)cc2)c1 ZINC000013353006 555381551 /nfs/dbraw/zinc/38/15/51/555381551.db2.gz QWBDGDNHENSQAT-UHFFFAOYSA-N -1 1 499.633 3.797 50 0 JHAAMM CCCNC(=O)C1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000013353076 555381637 /nfs/dbraw/zinc/38/16/37/555381637.db2.gz DINLLUPUTLZHBX-UHFFFAOYSA-N -1 1 463.987 3.519 50 0 JHAAMM CCCCNC(=O)C1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3C)c2)CC1 ZINC000013357290 555384074 /nfs/dbraw/zinc/38/40/74/555384074.db2.gz FMZSABQTRGASOX-UHFFFAOYSA-N -1 1 457.596 3.564 50 0 JHAAMM CCCCNC(=O)C1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)c2)CC1 ZINC000013357284 555384088 /nfs/dbraw/zinc/38/40/88/555384088.db2.gz DFSHMLSEYFEAQF-UHFFFAOYSA-N -1 1 471.623 3.873 50 0 JHAAMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000009680267 555408246 /nfs/dbraw/zinc/40/82/46/555408246.db2.gz GTONMLHXMPOVKJ-UHFFFAOYSA-N -1 1 492.536 3.796 50 0 JHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3sc(C)c(C)c3C(N)=O)cc2)cc1 ZINC000009715011 555446187 /nfs/dbraw/zinc/44/61/87/555446187.db2.gz QDBSTWAIWBDVEO-UHFFFAOYSA-N -1 1 459.549 3.526 50 0 JHAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3CCCO3)ccc2N2CCCCC2)cc1 ZINC000009715871 555448548 /nfs/dbraw/zinc/44/85/48/555448548.db2.gz MFPQUENWQGGQEX-OAQYLSRUSA-N -1 1 459.568 3.604 50 0 JHAAMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CCc3c(C)nc4ncnn4c3C)ccc2C)c1 ZINC000009782114 555502759 /nfs/dbraw/zinc/50/27/59/555502759.db2.gz RYXWICAHMHSCLB-UHFFFAOYSA-N -1 1 478.578 3.730 50 0 JHAAMM COc1ccc(CN2CNc3c(c(=O)[n-]c(=S)n3CCc3ccc(OC)c(OC)c3)C2)cc1 ZINC000013576729 555515871 /nfs/dbraw/zinc/51/58/71/555515871.db2.gz IXMBEMJWQHHTSK-UHFFFAOYSA-N -1 1 468.579 3.560 50 0 JHAAMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(Br)cc2Br)n1 ZINC000013597965 555529432 /nfs/dbraw/zinc/52/94/32/555529432.db2.gz BWSPWHWSTWGTMB-UHFFFAOYSA-N -1 1 461.179 3.978 50 0 JHAAMM COCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000010059754 555610506 /nfs/dbraw/zinc/61/05/06/555610506.db2.gz FXTIAHVGZHLMRF-UHFFFAOYSA-N -1 1 481.574 3.733 50 0 JHAAMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3C)c2)cc1 ZINC000010060022 555611763 /nfs/dbraw/zinc/61/17/63/555611763.db2.gz HNKNKSGJGLJPCR-UHFFFAOYSA-N -1 1 454.504 3.843 50 0 JHAAMM C[C@H](NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1)c1cccs1 ZINC000010219225 555652387 /nfs/dbraw/zinc/65/23/87/555652387.db2.gz RTQACSGSMUUOTP-KSSFIOAISA-N -1 1 456.593 3.662 50 0 JHAAMM Cc1ccc(NC(=O)CCc2c(C)nc3ncnn3c2C)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000014237640 555739951 /nfs/dbraw/zinc/73/99/51/555739951.db2.gz KLWDJLLEZHXVOZ-UHFFFAOYSA-N -1 1 482.541 3.561 50 0 JHAAMM COc1ccccc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000020275061 555749697 /nfs/dbraw/zinc/74/96/97/555749697.db2.gz JFFQNCVXIJHXRV-UHFFFAOYSA-N -1 1 454.476 3.575 50 0 JHAAMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c1 ZINC000011077483 555758197 /nfs/dbraw/zinc/75/81/97/555758197.db2.gz XJOXQHHBXCDTMR-UHFFFAOYSA-N -1 1 465.627 3.877 50 0 JHAAMM O=S(=O)([N-]c1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000020554853 555807568 /nfs/dbraw/zinc/80/75/68/555807568.db2.gz RHEAEENKVPWHSW-UHFFFAOYSA-N -1 1 480.468 3.680 50 0 JHAAMM COC(=O)c1cc(CNC(=O)C2CCC2)cc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000011912273 555860677 /nfs/dbraw/zinc/86/06/77/555860677.db2.gz NMEDOBAKSFNZJO-UHFFFAOYSA-N -1 1 470.469 3.709 50 0 JHAAMM C[C@@H]1CN(Cc2csc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)n2)C[C@@H](C)O1 ZINC000022325588 555921913 /nfs/dbraw/zinc/92/19/13/555921913.db2.gz OHDCELVPBDUBSM-IAGOWNOFSA-N -1 1 486.619 3.805 50 0 JHAAMM CC(C)[C@@H]1O[C@@H](c2cccc([N-]S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)c2)OCC1(C)C ZINC000012401269 555975671 /nfs/dbraw/zinc/97/56/71/555975671.db2.gz OOTVYPLDXJDINT-VXKWHMMOSA-N -1 1 460.552 3.915 50 0 JHAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCc3ccccn3)c2)cc1Br ZINC000022928750 555980223 /nfs/dbraw/zinc/98/02/23/555980223.db2.gz XNALLRFBXHFNLN-UHFFFAOYSA-N -1 1 490.379 3.626 50 0 JHAAMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)CC(=O)Nc3cccc(OC)c3)c2)cc1 ZINC000012535961 556008604 /nfs/dbraw/zinc/00/86/04/556008604.db2.gz WBJAGGJLOMGKSB-UHFFFAOYSA-N -1 1 497.573 3.605 50 0 JHAAMM CCN(CC(=O)NCc1cccs1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000012544784 556020776 /nfs/dbraw/zinc/02/07/76/556020776.db2.gz SDZGXUCJWINEIE-UHFFFAOYSA-N -1 1 471.604 3.636 50 0 JHAAMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)n(-c4ccc(OC)cc4)c(=O)c3c2)cc1 ZINC000023143980 556022477 /nfs/dbraw/zinc/02/24/77/556022477.db2.gz LNLQWFYKTOMPKL-UHFFFAOYSA-N -1 1 492.557 3.852 50 0 JHAAMM 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CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)cc1 ZINC000009168006 554952038 /nfs/dbraw/zinc/95/20/38/554952038.db2.gz OQUZAGYTVHGKRM-UHFFFAOYSA-N -1 1 459.568 3.853 50 0 JHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)cc1OC ZINC000009168049 554952109 /nfs/dbraw/zinc/95/21/09/554952109.db2.gz MOHCYSHYWUGGFG-UHFFFAOYSA-N -1 1 462.568 3.912 50 0 JHAAMM O=C(c1cc2ccccc2cc1[O-])N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000009170166 554953409 /nfs/dbraw/zinc/95/34/09/554953409.db2.gz VHZTYDJIKBBTMA-UHFFFAOYSA-N -1 1 464.465 3.711 50 0 JHAAMM COc1cc(-c2nc3c(c(=O)[n-]2)Cc2cc(Br)cc(OC)c2O3)cc(OC)c1OC ZINC000009290440 555064822 /nfs/dbraw/zinc/06/48/22/555064822.db2.gz BVIGTHORSDXHHA-UHFFFAOYSA-N -1 1 475.295 3.930 50 0 JHAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCN(c4ccccc4OC)CC3)cc2)cc1 ZINC000009414782 555181864 /nfs/dbraw/zinc/18/18/64/555181864.db2.gz BLVNBBKUEIWOON-UHFFFAOYSA-N -1 1 495.601 3.857 50 0 JHAAMM COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)CCOc3ccccc3OC)c2)cc1 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STPDLAIZWBZUCF-UHFFFAOYSA-N -1 1 476.558 3.929 50 0 JHAAMM Cc1cc(NC(=O)Cc2cccs2)n(-c2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)n1 ZINC000011695430 555802721 /nfs/dbraw/zinc/80/27/21/555802721.db2.gz BBPYIXGDWYEBJW-UHFFFAOYSA-N -1 1 465.926 3.911 50 0 JHAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CCN(Cc2ccccc2)CC1 ZINC000015345425 555899591 /nfs/dbraw/zinc/89/95/91/555899591.db2.gz VAHXUIIMCSDOIX-UHFFFAOYSA-N -1 1 453.539 3.585 50 0 JHAAMM CC(C)c1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)COc2cccc3c2OC(C)(C)C3)n1 ZINC000012126699 555910353 /nfs/dbraw/zinc/91/03/53/555910353.db2.gz MWJDJBFFLQFXLG-UHFFFAOYSA-N -1 1 463.538 3.687 50 0 JHAAMM CCc1cc2c(COC(=O)CCNC(=O)C34CC5CC(CC(C5)C3)C4)cc(=O)oc2cc1[O-] ZINC000022308595 555919712 /nfs/dbraw/zinc/91/97/12/555919712.db2.gz MWNGYXLEIGXHRZ-UHFFFAOYSA-N -1 1 453.535 3.827 50 0 JHAAMM CCOC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(SC(F)F)cc3)c2)CC1 ZINC000012526267 555994343 /nfs/dbraw/zinc/99/43/43/555994343.db2.gz BKNBRGOZDQGFSS-UHFFFAOYSA-N -1 1 499.561 3.716 50 0 JHAAMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)Cc3ccc4c(c3)OCCO4)c2)c1 ZINC000012583991 556081363 /nfs/dbraw/zinc/08/13/63/556081363.db2.gz YGPASCOLJSOIPU-UHFFFAOYSA-N -1 1 452.532 3.839 50 0 JHAAMM Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000023957084 556106270 /nfs/dbraw/zinc/10/62/70/556106270.db2.gz XEIKKWLUMFMYNA-RUZDIDTESA-N -1 1 479.602 3.599 50 0 JHAAMM CN(CCOc1ccccc1F)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000024214564 556127230 /nfs/dbraw/zinc/12/72/30/556127230.db2.gz CJVXRMUFNVOFSP-UHFFFAOYSA-N -1 1 472.494 3.506 50 0 JHAAMM COC(=O)C[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)c1ccc(C)cc1 ZINC000024492171 556132494 /nfs/dbraw/zinc/13/24/94/556132494.db2.gz CECPVDCBCXRTFP-QFIPXVFZSA-N -1 1 470.522 3.969 50 0 JHAAMM CN(Cc1ccccc1F)C(=O)c1cccc(NC(=O)Cc2sc(N3CCCCC3)nc2[O-])c1 ZINC000025584298 556226383 /nfs/dbraw/zinc/22/63/83/556226383.db2.gz ZQSHCLHMMPIUJX-OAQYLSRUSA-N -1 1 482.581 3.910 50 0 JHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OCC(=O)N3C[C@H](C)C[C@H](C)C3)cc2)cc1C ZINC000017722395 556264608 /nfs/dbraw/zinc/26/46/08/556264608.db2.gz YTCCPVUIABNJNG-CALCHBBNSA-N -1 1 458.580 3.766 50 0 JHAAMM COc1ccc(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)cc1 ZINC000018003723 556275435 /nfs/dbraw/zinc/27/54/35/556275435.db2.gz DBDFTDZYANOZFD-UHFFFAOYSA-N -1 1 481.574 3.824 50 0 JHAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCN(c4ccccc4)CC3)c2)cc1F ZINC000013100412 556299526 /nfs/dbraw/zinc/29/95/26/556299526.db2.gz DQIXHGMCUAAHFL-UHFFFAOYSA-N -1 1 453.539 3.897 50 0 JHAAMM C[C@@H]1C[C@H](C)CN(C(=O)c2cccc(NC(=O)Cc3sc(N4CCCCC4)nc3[O-])c2)C1 ZINC000013115555 556322654 /nfs/dbraw/zinc/32/26/54/556322654.db2.gz IOMSCYBVXGWVKX-QKLQHJQFSA-N -1 1 456.612 3.617 50 0 JHAAMM O=C(CCC(=O)c1cccs1)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000013126737 556342331 /nfs/dbraw/zinc/34/23/31/556342331.db2.gz KOFNOGJQDHHRED-UHFFFAOYSA-N -1 1 472.544 3.922 50 0 JHAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCc2cccc(CN3CCCC3=O)c2)cc1 ZINC000031992315 556412313 /nfs/dbraw/zinc/41/23/13/556412313.db2.gz DBIVEANPDSUTFP-UHFFFAOYSA-N -1 1 477.586 3.848 50 0 JHAAMM Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc3[n-]cc(C(=O)N4CCCCCC4)c(=O)c3c2)c1 ZINC000006181340 569588449 /nfs/dbraw/zinc/58/84/49/569588449.db2.gz PAIRPYZFHLWEOX-UHFFFAOYSA-N -1 1 467.591 3.986 50 0 JHAAMM O=C([O-])c1cc([N-]S(=O)(=O)c2cccs2)ccc1N1CC[NH+](Cc2ccccc2F)CC1 ZINC000063600950 569615742 /nfs/dbraw/zinc/61/57/42/569615742.db2.gz UMPRMPZUBAHWLO-UHFFFAOYSA-N -1 1 475.567 3.708 50 0 JHAAMM CC(C)OCCCNC(=O)C1CCN(c2nc(=O)c3scc(-c4ccccc4F)c3[n-]2)CC1 ZINC000064611614 569622988 /nfs/dbraw/zinc/62/29/88/569622988.db2.gz FNIGPMIOSUXLDY-UHFFFAOYSA-N -1 1 472.586 3.938 50 0 JHAAMM COc1ccc(-c2csc3c2[n-]c(N2CCC[C@@H](C(=O)NC4CCCC4)C2)nc3=O)cc1OC ZINC000064611749 569623132 /nfs/dbraw/zinc/62/31/32/569623132.db2.gz DJUABKGTLAGNRV-MRXNPFEDSA-N -1 1 482.606 3.944 50 0 JHAAMM Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2C)N(Cc2noc(C4CC4)n2)C(=O)CO3)cc1Cl ZINC000065022787 569649587 /nfs/dbraw/zinc/64/95/87/569649587.db2.gz HNVIERUGIZYATI-UHFFFAOYSA-N -1 1 488.953 3.944 50 0 JHAAMM O=C(CSc1nc2c(c(=O)[n-]1)CN(Cc1ccc(F)cc1)CC2)NCc1ccccc1Cl ZINC000067291469 569685595 /nfs/dbraw/zinc/68/55/95/569685595.db2.gz KTYJSGYAXHPVBF-UHFFFAOYSA-N -1 1 472.973 3.942 50 0 JHAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2cnn3cccnc23)cc1 ZINC000095474851 569724144 /nfs/dbraw/zinc/72/41/44/569724144.db2.gz UUMACTMJQLJPCJ-OAHLLOKOSA-N -1 1 455.426 3.658 50 0 JHAAMM COC(=O)COc1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1 ZINC000096116286 569735345 /nfs/dbraw/zinc/73/53/45/569735345.db2.gz OHOXGCUNKHQWTE-GOSISDBHSA-N -1 1 488.448 3.864 50 0 biogenic JHAAMM COC(=O)COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(O)cc5)coc-4c32)cc1 ZINC000096116286 569735346 /nfs/dbraw/zinc/73/53/46/569735346.db2.gz OHOXGCUNKHQWTE-GOSISDBHSA-N -1 1 488.448 3.864 50 0 biogenic JHAAMM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@H](c2cc3cc4c(cc3[nH]c2=O)OCCO4)S1 ZINC000096117011 569735578 /nfs/dbraw/zinc/73/55/78/569735578.db2.gz XIIPDKFWTPQNRJ-XOBRGWDASA-N -1 1 482.562 3.805 50 0 JHAAMM Cc1ccc(CN2C(=O)[N-]C(=O)[C@]3(Cc4c(=O)n5cccc(C)c5nc4N4CCCCC[C@@H]43)C2=O)cc1 ZINC000096833036 569743268 /nfs/dbraw/zinc/74/32/68/569743268.db2.gz AAQPCKVZOLQTRL-LYZGTLIUSA-N -1 1 499.571 3.722 50 0 JHAAMM CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(-c3cc(C)cc(C)c3)c2[O-])C[C@@H]1c1ccc(Cl)cc1 ZINC000101765478 569804490 /nfs/dbraw/zinc/80/44/90/569804490.db2.gz REZQQDQJBCAZJI-LJQANCHMSA-N -1 1 466.925 3.589 50 0 JHAAMM CCOc1ccc(CN(C(=O)c2ccc(Cl)cc2)c2nn3c([n-]2)nc(C)c(C)c3=O)cc1 ZINC000101878078 569806738 /nfs/dbraw/zinc/80/67/38/569806738.db2.gz FDJGRSZAXLUAOW-UHFFFAOYSA-N -1 1 451.914 3.934 50 0 JHAAMM Cc1nn(-c2ccccc2)c(Cl)c1COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000040090251 569815943 /nfs/dbraw/zinc/81/59/43/569815943.db2.gz MFQINTTUXWTISB-UHFFFAOYSA-N -1 1 451.932 3.861 50 0 JHAAMM 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O=C(Nc1cc(F)cc(F)c1)[C@@H]1CC(=O)Nc2nc(SCc3ccccc3F)[n-]c(=O)c21 ZINC000046075685 569844489 /nfs/dbraw/zinc/84/44/89/569844489.db2.gz FDFOBUYSJIJFDU-CQSZACIVSA-N -1 1 460.437 3.544 50 0 JHAAMM Cc1cccc(CSc2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2cc(F)ccc2F)CC(=O)N3)c1 ZINC000046075802 569844504 /nfs/dbraw/zinc/84/45/04/569844504.db2.gz ZUZNKUSWJOAZGW-AWEZNQCLSA-N -1 1 456.474 3.713 50 0 JHAAMM Cc1ccc(F)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(SCc3cccc(F)c3)[n-]c(=O)c21 ZINC000046075736 569844531 /nfs/dbraw/zinc/84/45/31/569844531.db2.gz AMCJJVJPJZQKBK-OAHLLOKOSA-N -1 1 456.474 3.713 50 0 JHAAMM O=C(Nc1cc(F)ccc1F)[C@H]1CC(=O)Nc2nc(SCc3ccccc3F)[n-]c(=O)c21 ZINC000046075817 569844629 /nfs/dbraw/zinc/84/46/29/569844629.db2.gz JXXQGRQLOMDDND-LBPRGKRZSA-N -1 1 460.437 3.544 50 0 JHAAMM COC(=O)C1=C(Nc2ccccc2[N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CSC1 ZINC000001032500 194006325 /nfs/dbraw/zinc/00/63/25/194006325.db2.gz MFTNPUHNVPBEMU-UHFFFAOYSA-N -1 1 474.482 3.972 50 0 JHAAMM COc1cc(C=C2SC(=O)[N-]C2=O)ccc1OC(=O)c1ccccc1I 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WXRPGUWIBFFGHC-UHFFFAOYSA-N -1 1 496.541 3.930 50 0 JHAAMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(NC(=O)c3ccco3)c2)cc(C(=O)OC)c1 ZINC000006088711 554503817 /nfs/dbraw/zinc/50/38/17/554503817.db2.gz UDRFWQFZIHPYGQ-UHFFFAOYSA-N -1 1 492.893 3.559 50 0 JHAAMM Cc1ccc(C(=O)OCC(=O)N[C@@H]2CCCC[C@H]2C)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000008928476 554825875 /nfs/dbraw/zinc/82/58/75/554825875.db2.gz MZPMZQZTOKUNAX-FOIQADDNSA-N -1 1 462.543 3.787 50 0 JHAAMM Cc1ccccc1N1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)CC1 ZINC000009083353 554888360 /nfs/dbraw/zinc/88/83/60/554888360.db2.gz AHFHOAFNXHOGMZ-UHFFFAOYSA-N -1 1 493.585 3.529 50 0 JHAAMM O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000009128633 554925771 /nfs/dbraw/zinc/92/57/71/554925771.db2.gz KEGXWXYCFUSLKI-UHFFFAOYSA-N -1 1 457.895 3.687 50 0 JHAAMM O=C(NC(=S)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1[O-])C12CC3CC(CC(C3)C1)C2 ZINC000009138830 554934136 /nfs/dbraw/zinc/93/41/36/554934136.db2.gz ANBHCFCCYVWTDT-UHFFFAOYSA-N -1 1 477.652 3.596 50 0 JHAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3CC=CCC3)ccc2N2CCOCC2)cc1 ZINC000009224137 554995311 /nfs/dbraw/zinc/99/53/11/554995311.db2.gz LHILINVCZQHIDT-GOSISDBHSA-N -1 1 471.579 3.627 50 0 JHAAMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)Nc1ccc2c(c1)OCCCO2 ZINC000009367407 555129443 /nfs/dbraw/zinc/12/94/43/555129443.db2.gz NWVSLCSQBBBMBY-UHFFFAOYSA-N -1 1 456.495 3.969 50 0 JHAAMM O=C(CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1)NCc1ccc(F)cc1 ZINC000009465303 555239295 /nfs/dbraw/zinc/23/92/95/555239295.db2.gz VPYZQLQUHOSRQJ-UHFFFAOYSA-N -1 1 491.544 3.826 50 0 JHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC(n4c5ccccc5[nH]c4=O)CC3)cc2)cc1 ZINC000009467857 555246054 /nfs/dbraw/zinc/24/60/54/555246054.db2.gz GZXLXOQZJGPOOX-UHFFFAOYSA-N -1 1 490.585 3.916 50 0 JHAAMM COc1ccc(C(=O)[C@@H](C)OC(=O)c2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)c2)cc1 ZINC000009467986 555246426 /nfs/dbraw/zinc/24/64/26/555246426.db2.gz SQYSPRCYUCORNL-MRXNPFEDSA-N -1 1 497.525 3.695 50 0 JHAAMM 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50 0 JHAAMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000018160400 556296629 /nfs/dbraw/zinc/29/66/29/556296629.db2.gz DUHZBGSZKXVRRW-UHFFFAOYSA-N -1 1 499.662 3.797 50 0 JHAAMM CNC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)cc1 ZINC000013099064 556299329 /nfs/dbraw/zinc/29/93/29/556299329.db2.gz ZFHIELRILGWDDK-UHFFFAOYSA-N -1 1 461.902 3.892 50 0 JHAAMM O=C(Nc1nccs1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000013100413 556299558 /nfs/dbraw/zinc/29/95/58/556299558.db2.gz DBLLVYOWLMLCOP-OAHLLOKOSA-N -1 1 456.376 3.978 50 0 JHAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCN(CCOc4ccccc4)CC3)cc2)c1C ZINC000018826737 556324176 /nfs/dbraw/zinc/32/41/76/556324176.db2.gz NKMMRAMZLQTWRS-UHFFFAOYSA-N -1 1 493.629 3.941 50 0 JHAAMM COc1ccc([C@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c2nccn2C)cc1 ZINC000029133193 556347700 /nfs/dbraw/zinc/34/77/00/556347700.db2.gz GSBNUFLXIGAMPN-QHCPKHFHSA-N -1 1 476.558 3.749 50 0 JHAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(N4CCOCC4)cn3)c2)c1 ZINC000032905265 556530789 /nfs/dbraw/zinc/53/07/89/556530789.db2.gz BWUMBGWHODGFES-UHFFFAOYSA-N -1 1 486.981 3.933 50 0 JHAAMM Cc1nnnn1-c1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000032915898 556539572 /nfs/dbraw/zinc/53/95/72/556539572.db2.gz RRBVMENRGLPETN-UHFFFAOYSA-N -1 1 451.352 3.809 50 0 JHAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cnc(C)cn3)ccc2N2CCCCC2)cc1 ZINC000008686581 562952884 /nfs/dbraw/zinc/95/28/84/562952884.db2.gz XICLFKYFNHARNJ-UHFFFAOYSA-N -1 1 481.578 3.837 50 0 JHAAMM Cc1ccccc1N(C)S(=O)(=O)c1ccc2[n-]cc(C(=O)N3CCC(C)CC3)c(=O)c2c1 ZINC000006181286 569588468 /nfs/dbraw/zinc/58/84/68/569588468.db2.gz CVABYUVMWAMQSH-UHFFFAOYSA-N -1 1 453.564 3.534 50 0 JHAAMM CC(C)c1ccc(N(C)S(=O)(=O)c2ccc3[n-]cc(C(=O)N4CCCC4)c(=O)c3c2)cc1 ZINC000006181325 569588594 /nfs/dbraw/zinc/58/85/94/569588594.db2.gz WEUDJIKJGJVSEW-UHFFFAOYSA-N -1 1 453.564 3.713 50 0 JHAAMM O=S(=O)([N-]C[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1)c1cc(F)ccc1F ZINC000058062262 569601945 /nfs/dbraw/zinc/60/19/45/569601945.db2.gz QCDLGRHJOAHOTQ-HXUWFJFHSA-N -1 1 465.497 3.539 50 0 JHAAMM O=S(=O)([N-]C[C@@H](c1ccco1)N1CCN(c2ccccc2F)CC1)c1cc(F)ccc1F ZINC000058062259 569601958 /nfs/dbraw/zinc/60/19/58/569601958.db2.gz QCDLGRHJOAHOTQ-FQEVSTJZSA-N -1 1 465.497 3.539 50 0 JHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)O[C@@H](C)c3cccc(-n4cnnn4)c3)cc2)cc1C ZINC000062577335 569611613 /nfs/dbraw/zinc/61/16/13/569611613.db2.gz AMUQIUGOMQVFOK-SFHVURJKSA-N -1 1 477.546 3.998 50 0 JHAAMM CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(F)ccc3F)[n-]c2=O)cc1 ZINC000064592057 569622307 /nfs/dbraw/zinc/62/23/07/569622307.db2.gz CUTFQXCLMKMWAR-UHFFFAOYSA-N -1 1 465.503 3.586 50 0 JHAAMM COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C(C)C)cc3)[n-]c2=O)cc1 ZINC000064592005 569622323 /nfs/dbraw/zinc/62/23/23/569622323.db2.gz IDIVKPHGSYITML-UHFFFAOYSA-N -1 1 473.576 3.878 50 0 JHAAMM O=C(NCCc1ccccn1)C1CCN(c2nc(=O)c3scc(-c4ccccc4F)c3[n-]2)CC1 ZINC000064611609 569622900 /nfs/dbraw/zinc/62/29/00/569622900.db2.gz PKXCFSVNQMTNQP-UHFFFAOYSA-N -1 1 477.565 3.761 50 0 JHAAMM COc1ccc(-c2csc3c2[n-]c(N2CCC[C@@H](C(=O)NCC(C)C)C2)nc3=O)cc1OC ZINC000064611740 569623158 /nfs/dbraw/zinc/62/31/58/569623158.db2.gz SYLIWPQXBPUDRY-MRXNPFEDSA-N -1 1 470.595 3.657 50 0 JHAAMM Cc1ccccc1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCC(CCN2CCOCC2)CC1 ZINC000064820497 569636117 /nfs/dbraw/zinc/63/61/17/569636117.db2.gz GZCVOAHIMGJACN-UHFFFAOYSA-N -1 1 451.567 3.884 50 0 JHAAMM Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCC(CCN3CCOCC3)CC2)cc1 ZINC000064820315 569636213 /nfs/dbraw/zinc/63/62/13/569636213.db2.gz SBTJSLLSGMWJGA-UHFFFAOYSA-N -1 1 451.567 3.884 50 0 JHAAMM Cc1cccc([N-]S(=O)(=O)c2cc3c(cc2C)N(Cc2noc(C4CCC4)n2)C(=O)CO3)c1 ZINC000065022898 569649679 /nfs/dbraw/zinc/64/96/79/569649679.db2.gz CDLUPUYYCFFMJY-UHFFFAOYSA-N -1 1 468.535 3.680 50 0 JHAAMM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c(C)n2C)sc1C(=O)N1CCOCC1 ZINC000065036054 569653094 /nfs/dbraw/zinc/65/30/94/569653094.db2.gz WZFLAKMCSAUORW-UHFFFAOYSA-N -1 1 495.026 3.692 50 0 JHAAMM CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)OC)cc2)c1 ZINC000065116398 569666419 /nfs/dbraw/zinc/66/64/19/569666419.db2.gz VPMORKHBSZWFKZ-UHFFFAOYSA-N -1 1 457.508 3.758 50 0 JHAAMM CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3Cl)[n-]c2=O)cc1 ZINC000067341220 569688345 /nfs/dbraw/zinc/68/83/45/569688345.db2.gz KKJSBWGPBKSZHU-UHFFFAOYSA-N -1 1 463.968 3.962 50 0 JHAAMM O=C([O-])COc1ccccc1[C@@H]1CC(=O)Oc2cc(=O)c3c(O)c(-c4ccc(O)cc4)coc-3c21 ZINC000096115033 569734147 /nfs/dbraw/zinc/73/41/47/569734147.db2.gz BTXZVAVQZUKQOW-INIZCTEOSA-N -1 1 474.421 3.776 50 0 biogenic JHAAMM O=C([O-])COc1ccccc1[C@@H]1CC(=O)Oc2cc(O)c3c(=O)c(-c4ccc(O)cc4)coc3c21 ZINC000096115033 569734148 /nfs/dbraw/zinc/73/41/48/569734148.db2.gz BTXZVAVQZUKQOW-INIZCTEOSA-N -1 1 474.421 3.776 50 0 biogenic JHAAMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)ccc2C)c1 ZINC000101628021 569801947 /nfs/dbraw/zinc/80/19/47/569801947.db2.gz RVSURXHPDUNTQN-OYRHEFFESA-N -1 1 484.574 3.648 50 0 JHAAMM O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CC(=O)Nc2nc(SCCc3ccccc3)[n-]c(=O)c21 ZINC000046074376 569843295 /nfs/dbraw/zinc/84/32/95/569843295.db2.gz QMVZXOUBRPBJFP-CQSZACIVSA-N -1 1 472.929 3.962 50 0 JHAAMM CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4ccccc4F)[n-]c(=O)c32)cc1 ZINC000046075291 569844275 /nfs/dbraw/zinc/84/42/75/569844275.db2.gz NLQOMDNKEMAQLX-MRXNPFEDSA-N -1 1 452.511 3.828 50 0 JHAAMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000001050424 194009874 /nfs/dbraw/zinc/00/98/74/194009874.db2.gz ZAVXATMDBYKNAZ-UHFFFAOYSA-N -1 1 499.614 3.833 50 0 JHAAMM Cc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(Br)cc2)cc1 ZINC000001182193 194063599 /nfs/dbraw/zinc/06/35/99/194063599.db2.gz NIODRQCZEOICID-VKJFTORMSA-N -1 1 457.246 3.861 50 0 JHAAMM O=C([O-])c1ccc(N2C(=O)C3=C(C(c4ccc(Cl)cc4)=NCCN3)[C@H]2c2cccnc2)cc1 ZINC000001404914 194115470 /nfs/dbraw/zinc/11/54/70/194115470.db2.gz WECZNXSEZXQRBP-HSZRJFAPSA-N -1 1 458.905 3.868 50 0 JHAAMM COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(Br)c(Br)c1[O-] ZINC000001438130 194120564 /nfs/dbraw/zinc/12/05/64/194120564.db2.gz JAELZFCHZHJWLH-GHXNOFRVSA-N -1 1 482.153 3.696 50 0 JHAAMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(C(=O)OCC(=O)N2CCc3ccccc32)cc1 ZINC000003250253 194251654 /nfs/dbraw/zinc/25/16/54/194251654.db2.gz BLEWIXHPJQMQIO-UHFFFAOYSA-N -1 1 468.506 3.681 50 0 JHAAMM COc1cc(C(=O)OCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)cc(Br)c1[O-] ZINC000003308572 194275798 /nfs/dbraw/zinc/27/57/98/194275798.db2.gz ODJHSJMZKKXFGT-OAHLLOKOSA-N -1 1 466.328 3.800 50 0 JHAAMM CSCC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)NCc1ccc(F)cc1 ZINC000003411986 194316121 /nfs/dbraw/zinc/31/61/21/194316121.db2.gz BBRJIOXGOOKWAQ-MRXNPFEDSA-N -1 1 465.399 3.849 50 0 JHAAMM O=C(Cc1cn2ccsc2n1)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000009115367 194534997 /nfs/dbraw/zinc/53/49/97/194534997.db2.gz GOWXHZXZSQRWOZ-UHFFFAOYSA-N -1 1 484.559 3.539 50 0 JHAAMM CC(C)CN1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2OCC(C)(C)C1=O ZINC000009168162 194578263 /nfs/dbraw/zinc/57/82/63/194578263.db2.gz IAYLKWUKIKMHIB-UHFFFAOYSA-N -1 1 460.552 3.666 50 0 JHAAMM CC(C)n1nccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000012630894 195062907 /nfs/dbraw/zinc/06/29/07/195062907.db2.gz JWVRBWAKOHXJGS-UHFFFAOYSA-N -1 1 456.524 3.678 50 0 JHAAMM C[C@@H](NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1)c1ccc(F)cc1 ZINC000012694116 195089393 /nfs/dbraw/zinc/08/93/93/195089393.db2.gz NFCWPKXIEBWKTI-FOIQADDNSA-N -1 1 468.554 3.739 50 0 JHAAMM COc1ccc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000012734388 195099978 /nfs/dbraw/zinc/09/99/78/195099978.db2.gz QQXFGMJMQNUKMG-JOCHJYFZSA-N -1 1 485.581 3.976 50 0 JHAAMM O=C([O-])CN1C(=O)COc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3Oc3ccccc3)cc21 ZINC000012782745 195125534 /nfs/dbraw/zinc/12/55/34/195125534.db2.gz XVRPJSCLGXXOTJ-UHFFFAOYSA-N -1 1 488.905 3.743 50 0 JHAAMM O=C(CSc1nc(-c2ccc3c(c2)OCO3)nc2cc(=O)[n-]n21)Nc1cccc(C(F)(F)F)c1 ZINC000020987055 195260774 /nfs/dbraw/zinc/26/07/74/195260774.db2.gz NFJFGDDZDNGVKJ-UHFFFAOYSA-N -1 1 489.435 3.975 50 0 JHAAMM O=C([C@@H]1COc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2O1)N1CCCCCC1 ZINC000020989753 195261788 /nfs/dbraw/zinc/26/17/88/195261788.db2.gz PDEVAIWVVJEOHI-FQEVSTJZSA-N -1 1 450.944 3.683 50 0 JHAAMM O=C([C@H]1COc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2O1)N1CCCCCC1 ZINC000020989750 195261852 /nfs/dbraw/zinc/26/18/52/195261852.db2.gz PDEVAIWVVJEOHI-HXUWFJFHSA-N -1 1 450.944 3.683 50 0 JHAAMM C[C@H](OC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)C(=O)NCc1ccccc1 ZINC000021121103 195279520 /nfs/dbraw/zinc/27/95/20/195279520.db2.gz HWIDENJAJDNEQY-HNNXBMFYSA-N -1 1 474.485 3.627 50 0 JHAAMM Cc1cccc(N(CCC(N)=O)C(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2C)c1 ZINC000058177631 195372133 /nfs/dbraw/zinc/37/21/33/195372133.db2.gz MBVQHMVEUKGGAA-UHFFFAOYSA-N -1 1 469.538 3.766 50 0 JHAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H](C(=O)NC4CC4)C3)cc2)cc1 ZINC000021706917 195320092 /nfs/dbraw/zinc/32/00/92/195320092.db2.gz QOYCOQZALXFAEV-IBGZPJMESA-N -1 1 483.634 3.916 50 0 JHAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3CCC(=O)N2CCCC2)cc1Cl ZINC000096324038 130068115 /nfs/dbraw/zinc/06/81/15/130068115.db2.gz NDWRQHNMGQYPGS-UHFFFAOYSA-N -1 1 496.010 3.538 50 0 JHAAMM CC(=O)c1cccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CN(Cc2ccc(F)cc2)CC3)c1 ZINC000033028771 518429736 /nfs/dbraw/zinc/42/97/36/518429736.db2.gz UHZUMUJYJZQOQJ-UHFFFAOYSA-N -1 1 466.538 3.813 50 0 JHAAMM CCCNC(=O)[C@H]1CCCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000021662761 519897058 /nfs/dbraw/zinc/89/70/58/519897058.db2.gz NWCBRZLFFFRTCO-JOCHJYFZSA-N -1 1 457.596 3.742 50 0 JHAAMM CCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000021713254 520658483 /nfs/dbraw/zinc/65/84/83/520658483.db2.gz FSKGGEXDYOKTGV-QFIPXVFZSA-N -1 1 457.596 3.625 50 0 JHAAMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3cc(C)nn3C)c2)cc1 ZINC000014705579 521285518 /nfs/dbraw/zinc/28/55/18/521285518.db2.gz RISIOBRASKPGPQ-UHFFFAOYSA-N -1 1 484.578 3.667 50 0 JHAAMM COC(=O)c1sc2[n-]c(COC(=O)C(C)(C)Oc3ccc(Cl)cc3)nc(=O)c2c1C ZINC000016581584 522435398 /nfs/dbraw/zinc/43/53/98/522435398.db2.gz PHNGIRSYICYXEE-UHFFFAOYSA-N -1 1 450.900 3.634 50 0 JHAAMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CCC2)cc(OC)c1OC ZINC000008591030 522757882 /nfs/dbraw/zinc/75/78/82/522757882.db2.gz KZQPSTFEBLYWIQ-AWEZNQCLSA-N -1 1 460.552 3.591 50 0 JHAAMM CCn1c(C)nc2cc([N-]S(=O)(=O)c3ccccc3)cc(C(=O)NCCc3ccccn3)c21 ZINC000012246670 523145679 /nfs/dbraw/zinc/14/56/79/523145679.db2.gz WWTBDHCHCGZDNB-UHFFFAOYSA-N -1 1 463.563 3.533 50 0 JHAAMM CCc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)cc3C)c(=O)[n-]2)cc1 ZINC000016840141 523974425 /nfs/dbraw/zinc/97/44/25/523974425.db2.gz YTHGQYBGDATCEF-UHFFFAOYSA-N -1 1 457.577 3.925 50 0 JHAAMM 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JHAAMM COc1ccc(CNC(=O)COc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c2)cc1OC ZINC000009051743 554872456 /nfs/dbraw/zinc/87/24/56/554872456.db2.gz IVPIPSORRVGTBX-UHFFFAOYSA-N -1 1 461.470 3.878 50 0 biogenic JHAAMM COc1ccc(CNC(=O)COc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c2)cc1OC ZINC000009051743 554872457 /nfs/dbraw/zinc/87/24/57/554872457.db2.gz IVPIPSORRVGTBX-UHFFFAOYSA-N -1 1 461.470 3.878 50 0 biogenic JHAAMM O=C(NCCCOC[C@H]1CCCO1)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000009114026 554901308 /nfs/dbraw/zinc/90/13/08/554901308.db2.gz FVNUPYHADPUAPD-LJQANCHMSA-N -1 1 486.512 3.822 50 0 JHAAMM CCN1CCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000009126917 554921534 /nfs/dbraw/zinc/92/15/34/554921534.db2.gz KAEIVWMBOLYYFC-UHFFFAOYSA-N -1 1 465.501 3.591 50 0 JHAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(n3c4ccccc4[nH]c3=O)CC2)cc1 ZINC000009203518 554973757 /nfs/dbraw/zinc/97/37/57/554973757.db2.gz RSYKOASTSWWAKK-UHFFFAOYSA-N -1 1 490.585 3.916 50 0 JHAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OCC(=O)Nc3cccnc3Cl)cc2)cc1 ZINC000009367480 555129729 /nfs/dbraw/zinc/12/97/29/555129729.db2.gz OROKDNYXJFLOFW-UHFFFAOYSA-N -1 1 489.937 3.730 50 0 JHAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C)C3CC3)c2)cc1Br ZINC000009377280 555138665 /nfs/dbraw/zinc/13/86/65/555138665.db2.gz NKBHBNZCWVBAJM-LBPRGKRZSA-N -1 1 453.358 3.787 50 0 JHAAMM C[C@]1(O)Cc2[n-][nH]c(=O)c2[C@@H](c2cccc(Br)c2)[C@@H]1C(=O)OCc1ccccc1 ZINC000009408870 555171857 /nfs/dbraw/zinc/17/18/57/555171857.db2.gz JWZJPNDOTGAJSM-JUXOCIIHSA-N -1 1 457.324 3.676 50 0 JHAAMM COc1ccc(C(=O)[C@H](C)OC(=O)c2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)c2)cc1 ZINC000009467984 555246512 /nfs/dbraw/zinc/24/65/12/555246512.db2.gz SQYSPRCYUCORNL-INIZCTEOSA-N -1 1 497.525 3.695 50 0 JHAAMM O=C(Cc1noc2ccccc21)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000009468232 555247439 /nfs/dbraw/zinc/24/74/39/555247439.db2.gz MUSZRUOJVUNFRF-UHFFFAOYSA-N -1 1 479.514 3.971 50 0 JHAAMM COc1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2cccc(Cl)c2)c(OC)c1 ZINC000009490634 555266237 /nfs/dbraw/zinc/26/62/37/555266237.db2.gz IJEQXKCBWFQNLD-UHFFFAOYSA-N -1 1 471.926 3.510 50 0 JHAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C3CCCCC3)ccc2N2CCOCC2)cc1 ZINC000009491189 555268200 /nfs/dbraw/zinc/26/82/00/555268200.db2.gz OTGUDAFGGDTTDQ-UHFFFAOYSA-N -1 1 473.595 3.851 50 0 JHAAMM Nc1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)[n-]c(=O)c1NC(=O)c1ccc(F)cc1 ZINC000009518077 555311923 /nfs/dbraw/zinc/31/19/23/555311923.db2.gz QULIVNNKNWIJDT-UHFFFAOYSA-N -1 1 482.324 3.781 50 0 JHAAMM CCOC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnc4n3C[C@H](C)S4)c2)cc1 ZINC000009526085 555319933 /nfs/dbraw/zinc/31/99/33/555319933.db2.gz JNCDDTKISYYERY-HNNXBMFYSA-N -1 1 487.607 3.529 50 0 JHAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCCCC4)nn3)c2)cc1OC ZINC000009529553 555323905 /nfs/dbraw/zinc/32/39/05/555323905.db2.gz VGFBSDRODWTWCK-UHFFFAOYSA-N -1 1 454.552 3.952 50 0 JHAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)Cc3ccccc3F)ccc2N2CCOCC2)cc1 ZINC000009540007 555332337 /nfs/dbraw/zinc/33/23/37/555332337.db2.gz FFRZGUJMSQLGHS-UHFFFAOYSA-N -1 1 499.564 3.653 50 0 JHAAMM CCS(=O)(=O)c1ccc(-c2ccc([N-]S(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2)nn1 ZINC000009650653 555362331 /nfs/dbraw/zinc/36/23/31/555362331.db2.gz WUKRVWMZQADEAH-UHFFFAOYSA-N -1 1 487.481 3.637 50 0 JHAAMM O=C(NCCc1ccccc1)C1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000013357083 555383748 /nfs/dbraw/zinc/38/37/48/555383748.db2.gz PGSAGDZPNFQSHR-UHFFFAOYSA-N -1 1 491.613 3.699 50 0 JHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3c(C)nc4ccccc4c3=O)cc2C)cc1OC ZINC000009715060 555446555 /nfs/dbraw/zinc/44/65/55/555446555.db2.gz MTQGAUIUQBBFKO-UHFFFAOYSA-N -1 1 465.531 3.821 50 0 JHAAMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)NCc1ccncc1 ZINC000009625981 555457296 /nfs/dbraw/zinc/45/72/96/555457296.db2.gz ZSAKEXXYTZZHGT-UHFFFAOYSA-N -1 1 466.346 3.884 50 0 JHAAMM O=S(=O)([N-]C[C@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1cc(F)ccc1F ZINC000009742277 555473899 /nfs/dbraw/zinc/47/38/99/555473899.db2.gz ZAZNUNPFHKNIGE-GOSISDBHSA-N -1 1 461.508 3.659 50 0 JHAAMM O=C(Cc1sc(N2CCCCC2)nc1[O-])Nc1cccc(C(=O)NC2CCCCCC2)c1 ZINC000009767035 555491486 /nfs/dbraw/zinc/49/14/86/555491486.db2.gz HKIRIUVXTCWYAT-FQEVSTJZSA-N -1 1 456.612 3.952 50 0 JHAAMM Cc1ccc2nc3c(cc2c1)C[C@@]1(C(=O)[N-]C(=O)N(CCc2ccccc2)C1=O)[C@H]1CCCCN31 ZINC000013576989 555516485 /nfs/dbraw/zinc/51/64/85/555516485.db2.gz PTZHMGLCQPIMRP-LXFBAYGMSA-N -1 1 468.557 3.766 50 0 JHAAMM Cc1ccc2nc3c(cc2c1)C[C@@]1(C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O)[C@@H]1CCCCN31 ZINC000013577188 555516924 /nfs/dbraw/zinc/51/69/24/555516924.db2.gz CNNATDUEXDWOKJ-CUNXSJBXSA-N -1 1 454.530 3.723 50 0 JHAAMM COc1cc(CC(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cc(OC)c1OC ZINC000009823344 555524815 /nfs/dbraw/zinc/52/48/15/555524815.db2.gz QAIJWBCSPRNBOL-UHFFFAOYSA-N -1 1 466.515 3.963 50 0 JHAAMM COc1ccc(S(=O)(=O)[N-]c2nc3ccc(C(=O)Nc4nc5ccccc5[nH]4)cc3s2)cc1 ZINC000013689926 555583492 /nfs/dbraw/zinc/58/34/92/555583492.db2.gz FGHAXUQVDRCVEB-UHFFFAOYSA-N -1 1 479.543 3.656 50 0 JHAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)c1cccc(N2CCCC2=O)c1 ZINC000011325378 555772537 /nfs/dbraw/zinc/77/25/37/555772537.db2.gz GXUCCDZPQOUALT-UHFFFAOYSA-N -1 1 493.541 3.638 50 0 JHAAMM O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000015436434 555908744 /nfs/dbraw/zinc/90/87/44/555908744.db2.gz GNNIGTDEEVLEKT-UHFFFAOYSA-N -1 1 499.614 3.914 50 0 JHAAMM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](c2cccs2)N(C)C)ccc1C ZINC000015536808 555913854 /nfs/dbraw/zinc/91/38/54/555913854.db2.gz HHOMJPFEKSLQKD-LJQANCHMSA-N -1 1 473.620 3.899 50 0 JHAAMM CC[C@@H](C)C(=O)N1CCc2c(sc(S(=O)(=O)[N-]Cc3cccc(Cl)c3)c2C(=O)OC)C1 ZINC000012166247 555933080 /nfs/dbraw/zinc/93/30/80/555933080.db2.gz GRNOVWHGLNABKI-CYBMUJFWSA-N -1 1 485.027 3.597 50 0 JHAAMM COc1ccc(NC(=O)c2sc(COc3ccc(F)cc3)nc2C)cc1[N-]S(C)(=O)=O ZINC000022993692 555995966 /nfs/dbraw/zinc/99/59/66/555995966.db2.gz VGPPYWQRCQHVLF-UHFFFAOYSA-N -1 1 465.528 3.802 50 0 JHAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc3c(c2)OCCO3)cc1 ZINC000012552670 556035985 /nfs/dbraw/zinc/03/59/85/556035985.db2.gz JHZLHYBSKPRGGP-UHFFFAOYSA-N -1 1 452.532 3.839 50 0 JHAAMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(c4ccccc4O)CC3)cc2)ccc1F ZINC000015934612 556071746 /nfs/dbraw/zinc/07/17/46/556071746.db2.gz MQTOOYACLKMCDR-UHFFFAOYSA-N -1 1 469.538 3.603 50 0 JHAAMM COc1ccc(CN(C)C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc1F ZINC000023735039 556086402 /nfs/dbraw/zinc/08/64/02/556086402.db2.gz RAIPWXFDEKDRQU-UHFFFAOYSA-N -1 1 460.502 3.975 50 0 JHAAMM O=C(c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)N1CCN(CC(F)(F)F)CC1 ZINC000024527890 556133931 /nfs/dbraw/zinc/13/39/31/556133931.db2.gz UQKMAZGVVBGROF-UHFFFAOYSA-N -1 1 495.445 3.826 50 0 JHAAMM Cc1cc(NC(=O)Cc2cccs2)n(-c2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[n-]2)n1 ZINC000017011711 556201455 /nfs/dbraw/zinc/20/14/55/556201455.db2.gz MRHVOPMHBHEKBQ-UHFFFAOYSA-N -1 1 465.926 3.911 50 0 JHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(C)Cc1nccn1C(F)F ZINC000029181349 556348565 /nfs/dbraw/zinc/34/85/65/556348565.db2.gz SSMMBCHCOQOXGG-UHFFFAOYSA-N -1 1 452.458 3.799 50 0 JHAAMM O=C(NCc1cccc(CN2CCCC2=O)c1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000029413993 556351919 /nfs/dbraw/zinc/35/19/19/556351919.db2.gz OSDXDFGDVDDFCX-UHFFFAOYSA-N -1 1 481.549 3.679 50 0 JHAAMM CCN(C(=O)[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1)c1ccccc1 ZINC000008596381 562944466 /nfs/dbraw/zinc/94/44/66/562944466.db2.gz QVLKQXNWCGSJRS-FQEVSTJZSA-N -1 1 452.561 3.764 50 0 JHAAMM Cc1ccc(N(C)S(=O)(=O)c2ccc3[n-]cc(C(=O)NCCc4ccccc4)c(=O)c3c2)cc1C ZINC000006181254 569588491 /nfs/dbraw/zinc/58/84/91/569588491.db2.gz OGOONSHHTCFRMA-UHFFFAOYSA-N -1 1 489.597 3.943 50 0 JHAAMM CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCc3ccccc3)c(=O)c2c1 ZINC000006296528 569588732 /nfs/dbraw/zinc/58/87/32/569588732.db2.gz BTEXRGVEQPNULA-UHFFFAOYSA-N -1 1 475.570 3.982 50 0 JHAAMM CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2[n-]cc(C(=O)NCc3ccccc3)c(=O)c2c1 ZINC000006296528 569588733 /nfs/dbraw/zinc/58/87/33/569588733.db2.gz BTEXRGVEQPNULA-UHFFFAOYSA-N -1 1 475.570 3.982 50 0 JHAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCCCn3c4ccccc4oc3=O)c2)cc1 ZINC000062594945 569612653 /nfs/dbraw/zinc/61/26/53/569612653.db2.gz VEUWFINZLWMZDZ-UHFFFAOYSA-N -1 1 482.514 3.651 50 0 JHAAMM CCc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)cc3C)c(=O)[n-]2)c1 ZINC000064579505 569620283 /nfs/dbraw/zinc/62/02/83/569620283.db2.gz BTZNFFVBWHUZSE-UHFFFAOYSA-N -1 1 457.577 3.925 50 0 JHAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)NCCc4cccnc4)CC2)nc3=O)c1 ZINC000064611814 569623146 /nfs/dbraw/zinc/62/31/46/569623146.db2.gz XEXJTXTYDLRFQC-UHFFFAOYSA-N -1 1 473.602 3.930 50 0 JHAAMM CCOCCCNC(=O)C1CCN(c2nc(=O)c3scc(-c4cccc(C)c4)c3[n-]2)CC1 ZINC000064611819 569623194 /nfs/dbraw/zinc/62/31/94/569623194.db2.gz HOGLMZYFRWYCMQ-UHFFFAOYSA-N -1 1 454.596 3.719 50 0 JHAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ncccc3C(=O)NC3CCC3)c2)cc1OC 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Cc1nc2[n-]c(N(Cc3ccc(Br)cc3)C(=O)c3ccccc3)nn2c(=O)c1C ZINC000064813935 569632172 /nfs/dbraw/zinc/63/21/72/569632172.db2.gz HIVRGEOVFAYWFM-UHFFFAOYSA-N -1 1 452.312 3.644 50 0 JHAAMM Cc1ccc([N-]S(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCC4)o3)cs2)c(Br)c1 ZINC000065098813 569661785 /nfs/dbraw/zinc/66/17/85/569661785.db2.gz CTTXSBUUDQCOTK-UHFFFAOYSA-N -1 1 497.396 3.906 50 0 JHAAMM CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c1 ZINC000065116358 569666274 /nfs/dbraw/zinc/66/62/74/569666274.db2.gz OFMRUOBSSQSUCA-UHFFFAOYSA-N -1 1 457.508 3.743 50 0 JHAAMM CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)[N-]c2cc(OC)c(OC)c(OC)c2)c1 ZINC000065116311 569666389 /nfs/dbraw/zinc/66/63/89/569666389.db2.gz FWDIIYJXEBRTJZ-UHFFFAOYSA-N -1 1 489.550 3.997 50 0 JHAAMM CCc1ccc(C(=O)COC(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cc1 ZINC000035199627 569678149 /nfs/dbraw/zinc/67/81/49/569678149.db2.gz GJLODDOAPVUKCD-UHFFFAOYSA-N -1 1 481.526 3.861 50 0 JHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)N2CCCCC2)cc1F ZINC000035398958 569689208 /nfs/dbraw/zinc/68/92/08/569689208.db2.gz GMHJLIBKSIHHAQ-UHFFFAOYSA-N -1 1 473.570 3.617 50 0 JHAAMM O=C(NCc1ccc(Cn2cccn2)cc1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000071853359 569698995 /nfs/dbraw/zinc/69/89/95/569698995.db2.gz NYELVOKSVYAYPJ-DEOSSOPVSA-N -1 1 454.530 3.711 50 0 JHAAMM CCOC(=O)c1nc(Br)[n-]c1C(Br)(Br)Br ZINC000095221218 569722196 /nfs/dbraw/zinc/72/21/96/569722196.db2.gz GGPCXRKUAHBUFW-UHFFFAOYSA-N -1 1 469.753 3.644 50 0 JHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3CCC(=O)N2CCCCC2)cc1F ZINC000095544319 569726798 /nfs/dbraw/zinc/72/67/98/569726798.db2.gz BGHZXOLFZBOWCI-UHFFFAOYSA-N -1 1 477.583 3.714 50 0 JHAAMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2CCC(=O)N1CCCCC1 ZINC000095545045 569726951 /nfs/dbraw/zinc/72/69/51/569726951.db2.gz GRRCBDULWMEIEG-UHFFFAOYSA-N -1 1 477.583 3.714 50 0 JHAAMM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3CCC(=O)N2CCCCC2)c1 ZINC000095841931 569728960 /nfs/dbraw/zinc/72/89/60/569728960.db2.gz LREJDAJCDISNSS-UHFFFAOYSA-N -1 1 459.593 3.575 50 0 JHAAMM CC(=O)c1ccc(N2CCN([C@H](C(=O)[O-])c3c[nH]c4cc(NC(=O)C(C)C)ccc43)CC2)cc1 ZINC000036357622 569771906 /nfs/dbraw/zinc/77/19/06/569771906.db2.gz PGZUTGWTCAGCGN-DEOSSOPVSA-N -1 1 462.550 3.913 50 0 JHAAMM COc1ccccc1-n1c([O-])c(Cc2ccccc2)c(=O)nc1SCC(=O)N1CCCCC1 ZINC000101800960 569805402 /nfs/dbraw/zinc/80/54/02/569805402.db2.gz DSACCXRFMBKMPA-UHFFFAOYSA-N -1 1 465.575 3.642 50 0 JHAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCn3cnc4ccccc43)c2)cc1F ZINC000039564080 569810814 /nfs/dbraw/zinc/81/08/14/569810814.db2.gz ODCFIGYGNUZYPT-UHFFFAOYSA-N -1 1 452.511 3.715 50 0 JHAAMM COc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000102290346 569812206 /nfs/dbraw/zinc/81/22/06/569812206.db2.gz ULQNHTIYSAHIJU-HOTGVXAUSA-N -1 1 480.945 3.964 50 0 JHAAMM O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)Nc2nc(SCc3ccccc3Cl)[n-]c(=O)c21 ZINC000046075035 569843721 /nfs/dbraw/zinc/84/37/21/569843721.db2.gz ANPIYYZAOZPMGV-AWEZNQCLSA-N -1 1 458.902 3.919 50 0 JHAAMM O=C(Nc1cccc(F)c1)[C@H]1CC(=O)Nc2nc(SCc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000046075107 569843872 /nfs/dbraw/zinc/84/38/72/569843872.db2.gz VVODATHAHRWOPX-HNNXBMFYSA-N -1 1 458.902 3.919 50 0 JHAAMM COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)[n-]c(=O)c32)cc1 ZINC000046075231 569843896 /nfs/dbraw/zinc/84/38/96/569843896.db2.gz DBURXUKQMWITFZ-MRXNPFEDSA-N -1 1 470.938 3.789 50 0 JHAAMM O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)Nc2nc(SCc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000046075115 569843974 /nfs/dbraw/zinc/84/39/74/569843974.db2.gz YRWDYSIKAAODEK-HNNXBMFYSA-N -1 1 458.902 3.919 50 0 JHAAMM Cc1ccc(F)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(SCc3ccc(F)cc3)[n-]c(=O)c21 ZINC000046075742 569844549 /nfs/dbraw/zinc/84/45/49/569844549.db2.gz LPUKKYYQVZPSAP-OAHLLOKOSA-N -1 1 456.474 3.713 50 0 JHAAMM CC(C)OCCCNC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421222 569846822 /nfs/dbraw/zinc/84/68/22/569846822.db2.gz JQZBIYOAZQRIPP-GOSISDBHSA-N -1 1 454.596 3.799 50 0 JHAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)NCc4ccccn4)CC2)nc3=O)c1 ZINC000049421398 569847358 /nfs/dbraw/zinc/84/73/58/569847358.db2.gz SFFKAPYMZXXMCG-UHFFFAOYSA-N -1 1 459.575 3.888 50 0 JHAAMM O=C([O-])COc1ccccc1[C@@H]1CC(=O)Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c21 ZINC000217879582 569881972 /nfs/dbraw/zinc/88/19/72/569881972.db2.gz AWKNYIJWCKENRK-INIZCTEOSA-N -1 1 474.421 3.776 50 0 biogenic JHAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1 ZINC000001154861 194052369 /nfs/dbraw/zinc/05/23/69/194052369.db2.gz ONOLDSXITDJEIO-UHFFFAOYSA-N -1 1 473.576 3.863 50 0 JHAAMM Cc1ccccc1OCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000009203384 194593227 /nfs/dbraw/zinc/59/32/27/194593227.db2.gz RLKMBICDHLWPPZ-UHFFFAOYSA-N -1 1 468.531 3.975 50 0 JHAAMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)cc1Br ZINC000012605137 195050544 /nfs/dbraw/zinc/05/05/44/195050544.db2.gz ICRXNZPUYCFWMY-UHFFFAOYSA-N -1 1 453.358 3.885 50 0 JHAAMM Cc1ccc(NC(=O)CN2c3ccccc3OCCC2=O)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000012786377 195128544 /nfs/dbraw/zinc/12/85/44/195128544.db2.gz RDOLIVWRTOKYHU-UHFFFAOYSA-N -1 1 483.521 3.689 50 0 JHAAMM Cc1nn2c(nc(COc3ccc(-c4nc5sc6c(c5c(=O)[n-]4)CCCC6)cc3)cc2=O)s1 ZINC000020858732 195232676 /nfs/dbraw/zinc/23/26/76/195232676.db2.gz QGMPDLWDMVMEBA-UHFFFAOYSA-N -1 1 477.571 3.882 50 0 JHAAMM CCCNC(=O)[C@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)C1 ZINC000021710924 519895476 /nfs/dbraw/zinc/89/54/76/519895476.db2.gz IQPVDQMRTAGORO-KRWDZBQOSA-N -1 1 463.987 3.519 50 0 JHAAMM CCCNC(=O)[C@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(CCC)cc3)c2)C1 ZINC000021710986 519895537 /nfs/dbraw/zinc/89/55/37/519895537.db2.gz YORQDRFJDNIOLL-NRFANRHFSA-N -1 1 471.623 3.818 50 0 JHAAMM CCCCN(C)C(=O)c1c[n-]c2ccc(S(=O)(=O)N(CC)c3cccc(C)c3)cc2c1=O ZINC000006181040 520392135 /nfs/dbraw/zinc/39/21/35/520392135.db2.gz OFCQKLYWAUYVDO-UHFFFAOYSA-N -1 1 455.580 3.924 50 0 JHAAMM CNC(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4ccc(F)c(C)c4)ccc3n2C)cc1 ZINC000033276988 521794875 /nfs/dbraw/zinc/79/48/75/521794875.db2.gz JLFNLPFBFGMDLJ-UHFFFAOYSA-N -1 1 452.511 3.848 50 0 JHAAMM CCc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(C)c(C(=O)N3CCOCC3)s2)n(C)c1C ZINC000065036065 521911996 /nfs/dbraw/zinc/91/19/96/521911996.db2.gz JELKCKSHDOFMMK-UHFFFAOYSA-N -1 1 488.635 3.601 50 0 JHAAMM CCc1nn2c(c1-c1ccc(C)c(S(=O)(=O)[N-]c3ccc(NC(C)=O)cc3)c1)NC(=O)CCC2=O ZINC000033276690 522706064 /nfs/dbraw/zinc/70/60/64/522706064.db2.gz NOBUMMSOTANPHI-UHFFFAOYSA-N -1 1 495.561 3.553 50 0 JHAAMM CN(Cc1ccccc1)c1ncc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000035479669 523354521 /nfs/dbraw/zinc/35/45/21/523354521.db2.gz WOHUCOYLWACJIR-UHFFFAOYSA-N -1 1 476.352 3.980 50 0 JHAAMM COc1ccc(C)cc1NC(=O)[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000008596457 523838805 /nfs/dbraw/zinc/83/88/05/523838805.db2.gz YSNWYGADBBRBCZ-HXUWFJFHSA-N -1 1 468.560 3.667 50 0 JHAAMM CCc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)[N-]c1cccc(C(C)=O)c1 ZINC000044803350 523862087 /nfs/dbraw/zinc/86/20/87/523862087.db2.gz BWEXLICGUIELET-UHFFFAOYSA-N -1 1 465.575 3.892 50 0 JHAAMM CC[C@H](C)NC(=O)[C@H]1CCCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000021662354 523995918 /nfs/dbraw/zinc/99/59/18/523995918.db2.gz ONTJYZGODBQALP-MHECFPHRSA-N -1 1 483.634 3.886 50 0 JHAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H]3C(=O)NCCC(C)C)cc2)c1 ZINC000021712677 524195227 /nfs/dbraw/zinc/19/52/27/524195227.db2.gz LJYXVFPERAIZJB-JOCHJYFZSA-N -1 1 471.623 3.871 50 0 JHAAMM Cc1ccc(CNC(=O)CSc2nc3c(c(=O)[n-]2)CN(Cc2ccc(F)cc2)CC3)cc1 ZINC000021810389 524510207 /nfs/dbraw/zinc/51/02/07/524510207.db2.gz DKPMHOVFNFIELR-UHFFFAOYSA-N -1 1 452.555 3.597 50 0 JHAAMM Cc1cccc(N2CCN(c3ncc(C(=O)[O-])cc3NS(=O)(=O)c3ccccc3)C[C@@H]2C)c1 ZINC000021883447 524561809 /nfs/dbraw/zinc/56/18/09/524561809.db2.gz SWFOONUZHPRZSW-SFHVURJKSA-N -1 1 466.563 3.604 50 0 JHAAMM C[C@H]1Cc2ccccc2N1C(=O)CSc1nc(-c2ccccc2Cl)nc2cc(=O)[n-]n21 ZINC000021537191 524987678 /nfs/dbraw/zinc/98/76/78/524987678.db2.gz MBQCGJKWWVHNNK-ZDUSSCGKSA-N -1 1 451.939 3.808 50 0 JHAAMM Cc1ccccc1C(=O)Nc1ccc(N2CCC(CCN3CCOCC3)CC2)c(C(=O)[O-])c1 ZINC000046053553 525063666 /nfs/dbraw/zinc/06/36/66/525063666.db2.gz SQWAVSWRYZLISH-UHFFFAOYSA-N -1 1 451.567 3.884 50 0 JHAAMM Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(N4CCCC4)cc3)c(=O)[n-]2)cc1C ZINC000016840118 525082281 /nfs/dbraw/zinc/08/22/81/525082281.db2.gz YFYPYZPXXJDGND-UHFFFAOYSA-N -1 1 498.630 3.963 50 0 JHAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@H]3C(=O)NC3CCCCC3)c2)cc1 ZINC000033272300 525613480 /nfs/dbraw/zinc/61/34/80/525613480.db2.gz CDLMJYDRRCDWAO-QHCPKHFHSA-N -1 1 469.607 3.849 50 0 JHAAMM O=S(=O)([N-]c1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1ccc(F)c(C(F)(F)F)c1 ZINC000008609779 527252190 /nfs/dbraw/zinc/25/21/90/527252190.db2.gz ZZDJXTXJNCWIHW-UHFFFAOYSA-N -1 1 482.459 3.939 50 0 JHAAMM Nc1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)[n-]c(=O)c1NC(=O)c1cccs1 ZINC000002712444 554297640 /nfs/dbraw/zinc/29/76/40/554297640.db2.gz ZBWARABPPZWCEX-UHFFFAOYSA-N -1 1 470.363 3.704 50 0 JHAAMM COCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000002884242 554405467 /nfs/dbraw/zinc/40/54/67/554405467.db2.gz KSJBGSSDMXCSBO-UHFFFAOYSA-N -1 1 481.574 3.733 50 0 JHAAMM CCOc1ccccc1N(C)S(=O)(=O)c1ccc2[n-]cc(C(=O)N3CCCC[C@@H]3C)c(=O)c2c1 ZINC000006181171 554515608 /nfs/dbraw/zinc/51/56/08/554515608.db2.gz UBOIWBCHFIAZPK-KRWDZBQOSA-N -1 1 483.590 3.767 50 0 JHAAMM CCOc1ccccc1N(C)S(=O)(=O)c1ccc2[n-]cc(C(=O)N3CCCC[C@H]3C)c(=O)c2c1 ZINC000006181170 554515634 /nfs/dbraw/zinc/51/56/34/554515634.db2.gz UBOIWBCHFIAZPK-QGZVFWFLSA-N -1 1 483.590 3.767 50 0 JHAAMM CCC(=O)Nc1ccc2c(c1)C[C@@]1(C(=O)[N-]C(=O)N(Cc3ccccc3)C1=O)[C@H]1CCCCCN21 ZINC000008974477 554845836 /nfs/dbraw/zinc/84/58/36/554845836.db2.gz QOSRNCDSMMMUJZ-AMGIVPHBSA-N -1 1 474.561 3.605 50 0 JHAAMM C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CSC(=S)NCC(=O)[O-] ZINC000009033228 554867593 /nfs/dbraw/zinc/86/75/93/554867593.db2.gz WJZAIXAIFJQAJF-OMBYLKBJSA-N -1 1 479.664 3.511 50 0 biogenic JHAAMM CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000009129402 554927588 /nfs/dbraw/zinc/92/75/88/554927588.db2.gz BLZOYZZMXVFFQB-UHFFFAOYSA-N -1 1 498.557 3.957 50 0 JHAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)c1n[nH]c2ccccc21 ZINC000009202532 554973268 /nfs/dbraw/zinc/97/32/68/554973268.db2.gz SMWNAAUKLUCIOC-UHFFFAOYSA-N -1 1 464.503 3.777 50 0 JHAAMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000009468246 555247424 /nfs/dbraw/zinc/24/74/24/555247424.db2.gz FQSXTVHXSKHPRH-UHFFFAOYSA-N -1 1 469.607 3.742 50 0 JHAAMM CCN(CC)c1nc([O-])c(CC(=O)Nc2cccc(C(=O)NCc3ccc(C)cc3)c2)s1 ZINC000009508333 555294670 /nfs/dbraw/zinc/29/46/70/555294670.db2.gz GDALBSKXEJZAFZ-HXUWFJFHSA-N -1 1 452.580 3.593 50 0 JHAAMM CCOc1ccc(-c2nc3cc(=O)[n-]n3c(SCC(=O)NCCc3ccc(Cl)cc3)n2)cc1 ZINC000009641751 555352801 /nfs/dbraw/zinc/35/28/01/555352801.db2.gz GRAXQJFNDSHMAG-UHFFFAOYSA-N -1 1 483.981 3.588 50 0 JHAAMM O=C(Nc1ccc2c(c1)OCCCO2)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000009647857 555361810 /nfs/dbraw/zinc/36/18/10/555361810.db2.gz OTXOEDIAMQRCKA-UHFFFAOYSA-N -1 1 482.514 3.672 50 0 JHAAMM CC(C)CCNC(=O)C1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000013352521 555380853 /nfs/dbraw/zinc/38/08/53/555380853.db2.gz DVPYYKNHJUZUHF-UHFFFAOYSA-N -1 1 475.586 3.641 50 0 JHAAMM COc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(C(=O)NCCC(C)C)CC3)cc2)c1 ZINC000013352555 555380919 /nfs/dbraw/zinc/38/09/19/555380919.db2.gz DMHVRZWQSRJXND-UHFFFAOYSA-N -1 1 487.622 3.511 50 0 JHAAMM Cc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(Br)cc2)cc1 ZINC000013403806 555396272 /nfs/dbraw/zinc/39/62/72/555396272.db2.gz NIODRQCZEOICID-RLFYNMQTSA-N -1 1 457.246 3.861 50 0 JHAAMM Cc1c(C(=O)N2CCCC2)c(S(=O)(=O)[N-]c2ccc(Br)cc2F)c(C)n1C ZINC000009684730 555413619 /nfs/dbraw/zinc/41/36/19/555413619.db2.gz PVMXBUHMRTYYDY-UHFFFAOYSA-N -1 1 458.353 3.580 50 0 JHAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCOc3ccccc3F)cc2)cc1 ZINC000009715719 555448381 /nfs/dbraw/zinc/44/83/81/555448381.db2.gz LEIKTZPZDRGLKO-UHFFFAOYSA-N -1 1 456.495 3.638 50 0 JHAAMM O=C(NCCc1ccccc1F)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000009790482 555509523 /nfs/dbraw/zinc/50/95/23/555509523.db2.gz CBMBCIOITDFTEF-UHFFFAOYSA-N -1 1 470.522 3.760 50 0 JHAAMM O=C(c1c[n-]c2ccc(S(=O)(=O)Nc3ccccc3F)cc2c1=O)N1CCc2ccccc2C1 ZINC000009833871 555536704 /nfs/dbraw/zinc/53/67/04/555536704.db2.gz XKWVLPPQDVTOTK-UHFFFAOYSA-N -1 1 477.517 3.667 50 0 JHAAMM COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)Cc3cc(OC)c(OC)c(OC)c3)c2)cc1 ZINC000010022285 555598332 /nfs/dbraw/zinc/59/83/32/555598332.db2.gz BDTDIFBLRQNEPS-UHFFFAOYSA-N -1 1 486.546 3.703 50 0 JHAAMM CCc1cc(=O)[n-]c(SCC(=O)N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccc(OC)cc2)n1 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CC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCCCC4)n3)ccc2C)c1 ZINC000065318951 569673401 /nfs/dbraw/zinc/67/34/01/569673401.db2.gz JENHOGKHTLCLNX-UHFFFAOYSA-N -1 1 468.535 3.675 50 0 JHAAMM CCOC(=O)c1ccccc1NC(=O)CSc1nc2c(c(=O)[n-]1)CN(Cc1ccc(F)cc1)CC2 ZINC000067291530 569685418 /nfs/dbraw/zinc/68/54/18/569685418.db2.gz RUAGKLRDQZKNFW-UHFFFAOYSA-N -1 1 496.564 3.787 50 0 JHAAMM O=C(CSc1nc2c(c(=O)[n-]1)CN(Cc1ccc(F)cc1)CC2)NCc1ccc(F)cc1F ZINC000067291678 569685776 /nfs/dbraw/zinc/68/57/76/569685776.db2.gz IBUUEOSPIYWIHI-UHFFFAOYSA-N -1 1 474.508 3.566 50 0 JHAAMM CC(C)CCNC(=O)CSc1ncc(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c(=O)[n-]1 ZINC000071765041 569697315 /nfs/dbraw/zinc/69/73/15/569697315.db2.gz AZIOJCQXTXYRFS-UHFFFAOYSA-N -1 1 464.396 3.576 50 0 JHAAMM COc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000085652082 569713874 /nfs/dbraw/zinc/71/38/74/569713874.db2.gz MLSRMXKZRPVWMG-UHFFFAOYSA-N -1 1 488.472 3.592 50 0 JHAAMM 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O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000035397543 569688102 /nfs/dbraw/zinc/68/81/02/569688102.db2.gz SCYLTJHGQRZENB-UHFFFAOYSA-N -1 1 498.649 3.914 50 0 JHAAMM O=C(CCC(=O)N1CCCCCC1)N1CCc2cc(S(=O)(=O)[N-]c3ccccc3)ccc21 ZINC000035399171 569689652 /nfs/dbraw/zinc/68/96/52/569689652.db2.gz QHTMWIXIMUCMSM-UHFFFAOYSA-N -1 1 455.580 3.559 50 0 JHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3CCC(=O)N2CCCCC2)c(C)c1 ZINC000095841961 569729201 /nfs/dbraw/zinc/72/92/01/569729201.db2.gz GTKSNTZTTWPXEJ-UHFFFAOYSA-N -1 1 473.620 3.883 50 0 JHAAMM COC(=O)COc1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1 ZINC000096116285 569735293 /nfs/dbraw/zinc/73/52/93/569735293.db2.gz OHOXGCUNKHQWTE-SFHVURJKSA-N -1 1 488.448 3.864 50 0 biogenic JHAAMM COC(=O)COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(O)cc5)coc-4c32)cc1 ZINC000096116285 569735294 /nfs/dbraw/zinc/73/52/94/569735294.db2.gz OHOXGCUNKHQWTE-SFHVURJKSA-N -1 1 488.448 3.864 50 0 biogenic JHAAMM CCCn1nc(C)c(-c2cc(C(=O)N3CCc4c(nc5cc(-c6ccccc6)[n-]n5c4=O)C3)n[nH]2)c1C ZINC000097137247 569744401 /nfs/dbraw/zinc/74/44/01/569744401.db2.gz YIQQICABECVACM-UHFFFAOYSA-N -1 1 496.575 3.502 50 0 JHAAMM COc1cc(/C=C2\NC(=S)[N-]C2=O)cc(Br)c1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000100321868 569757398 /nfs/dbraw/zinc/75/73/98/569757398.db2.gz RBWJMUZZPOWKCQ-SOFYXZRVSA-N -1 1 491.407 3.925 50 0 JHAAMM COc1ccc(CCNC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(F)cc5)nc-4c3c2)cc1OC ZINC000101828630 569805529 /nfs/dbraw/zinc/80/55/29/569805529.db2.gz HNUGPXGTHSRFKU-UHFFFAOYSA-N -1 1 486.503 3.947 50 0 JHAAMM COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000039980485 569812794 /nfs/dbraw/zinc/81/27/94/569812794.db2.gz ILPMQCKYJNLKJC-FQEVSTJZSA-N -1 1 463.563 3.688 50 0 JHAAMM O=C(Nc1ccccc1F)[C@H]1CC(=O)Nc2nc(SCc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000046075180 569843950 /nfs/dbraw/zinc/84/39/50/569843950.db2.gz UOIMSIJDFUMONY-ZDUSSCGKSA-N -1 1 458.902 3.919 50 0 JHAAMM Cc1cccc(CSc2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2cc(F)ccc2C)CC(=O)N3)c1 ZINC000046075726 569844543 /nfs/dbraw/zinc/84/45/43/569844543.db2.gz JOODABPFMJXQGM-MRXNPFEDSA-N -1 1 452.511 3.883 50 0 JHAAMM O=C(Nc1cc(F)ccc1F)[C@@H]1CC(=O)Nc2nc(SCc3ccc(F)cc3)[n-]c(=O)c21 ZINC000046075832 569844656 /nfs/dbraw/zinc/84/46/56/569844656.db2.gz HDOUSIXLALKDTE-CYBMUJFWSA-N -1 1 460.437 3.544 50 0 JHAAMM COc1cccc(-c2csc3c2[n-]c(N2CCC[C@@H](C(=O)NCc4ccccn4)C2)nc3=O)c1 ZINC000049421349 569847210 /nfs/dbraw/zinc/84/72/10/569847210.db2.gz WBMMHXQVNDARDS-QGZVFWFLSA-N -1 1 475.574 3.588 50 0 JHAAMM CC(=O)N1CCC2(CC1)CC(=O)c1ccc3c(c1O2)[C@@H](c1ccc([O-])c(Cl)c1)CC(=O)O3 ZINC000253398311 570096296 /nfs/dbraw/zinc/09/62/96/570096296.db2.gz CAXZYYRQOLXAOR-MRXNPFEDSA-N -1 1 455.894 3.833 50 0 biogenic JHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1 ZINC000001115953 194029981 /nfs/dbraw/zinc/02/99/81/194029981.db2.gz ZKQJGAMGCJRAGM-UHFFFAOYSA-N -1 1 452.941 3.950 50 0 JHAAMM CCOc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc1 ZINC000001126320 194036432 /nfs/dbraw/zinc/03/64/32/194036432.db2.gz ZDOPUJBZUOFQGC-UHFFFAOYSA-N -1 1 450.513 3.826 50 0 JHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000001149696 194050018 /nfs/dbraw/zinc/05/00/18/194050018.db2.gz JNSIEMXJUFTRNU-UHFFFAOYSA-N -1 1 452.941 3.950 50 0 JHAAMM COc1cccc(NC(=O)COC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)c1 ZINC000003363116 194301656 /nfs/dbraw/zinc/30/16/56/194301656.db2.gz COTQMZREFAMGTG-UHFFFAOYSA-N -1 1 476.457 3.570 50 0 JHAAMM Cc1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cc1F ZINC000009168478 194578434 /nfs/dbraw/zinc/57/84/34/194578434.db2.gz WVORCTAORMNFOS-UHFFFAOYSA-N -1 1 460.458 3.870 50 0 JHAAMM CC(C)(C)c1ccc(S(=O)(=O)c2cnc(SCC(=O)NCc3ccc(F)cc3)[n-]c2=O)cc1 ZINC000009941129 195029488 /nfs/dbraw/zinc/02/94/88/195029488.db2.gz LBPBWKLCIFJBNS-UHFFFAOYSA-N -1 1 489.594 3.860 50 0 JHAAMM COc1ccccc1[C@@H](C)NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1 ZINC000009952544 195034552 /nfs/dbraw/zinc/03/45/52/195034552.db2.gz VJJIYISJLMYZQW-IERDGZPVSA-N -1 1 480.590 3.609 50 0 JHAAMM Cc1ccc(CN(C)C(=O)c2ccc(NC(=O)Cc3sc(N4CCCCC4)nc3[O-])cc2)o1 ZINC000009953344 195035204 /nfs/dbraw/zinc/03/52/04/195035204.db2.gz YMXHBPQWJACWRA-FQEVSTJZSA-N -1 1 468.579 3.673 50 0 JHAAMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)ccc2C)c1 ZINC000012604533 195049544 /nfs/dbraw/zinc/04/95/44/195049544.db2.gz PUZYKTMFYXANMU-IQGLISFBSA-N -1 1 498.605 3.543 50 0 JHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NCC(C)(C)N3CCOCC3)c2)cc1C ZINC000012605343 195050513 /nfs/dbraw/zinc/05/05/13/195050513.db2.gz PDWIIJATSBZCMT-UHFFFAOYSA-N -1 1 480.030 3.598 50 0 JHAAMM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)ccc1Br ZINC000012645417 195073923 /nfs/dbraw/zinc/07/39/23/195073923.db2.gz RFSTYPWCWMXVBS-UHFFFAOYSA-N -1 1 493.832 3.996 50 0 JHAAMM Cc1cccc(C)c1N(C)S(=O)(=O)c1ccc2[n-]cc(C(=O)N3CCCCCC3)c(=O)c2c1 ZINC000020677656 195202606 /nfs/dbraw/zinc/20/26/06/195202606.db2.gz DDZHLAIMFQFRTM-UHFFFAOYSA-N -1 1 467.591 3.986 50 0 JHAAMM O=S(=O)([N-]c1cccc(-c2nnc(Cc3ccc4c(c3)OCO4)o2)c1)c1cccc(F)c1 ZINC000021358821 195298450 /nfs/dbraw/zinc/29/84/50/195298450.db2.gz BJMKFEWMUCQQSP-UHFFFAOYSA-N -1 1 453.451 3.996 50 0 JHAAMM CCCCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000021713197 195320412 /nfs/dbraw/zinc/32/04/12/195320412.db2.gz XUZLUNCIJZZRTQ-HXUWFJFHSA-N -1 1 463.987 3.662 50 0 JHAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCCc4ccccc4)CC3)cc2)cc1 ZINC000033274593 519731982 /nfs/dbraw/zinc/73/19/82/519731982.db2.gz LAGCCZLNZBZLGQ-UHFFFAOYSA-N -1 1 477.586 3.836 50 0 JHAAMM CCC[NH+]1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4cc(F)ccc4C)ccc3n2)CC1 ZINC000033256385 519859912 /nfs/dbraw/zinc/85/99/12/519859912.db2.gz AQWFGZBWWGNWGI-UHFFFAOYSA-N -1 1 486.569 3.713 50 0 JHAAMM CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000021712908 519890593 /nfs/dbraw/zinc/89/05/93/519890593.db2.gz XPVUIFNBSGHQNW-QFIPXVFZSA-N -1 1 471.623 3.916 50 0 JHAAMM CCCCNC(=O)[C@@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3C)c2)C1 ZINC000021710816 520655482 /nfs/dbraw/zinc/65/54/82/520655482.db2.gz ZULWCBJNOOCUIW-HXUWFJFHSA-N -1 1 457.596 3.564 50 0 JHAAMM CCOc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(OCC)cc3)c(=O)[n-]2)cc1 ZINC000016840691 521067702 /nfs/dbraw/zinc/06/77/02/521067702.db2.gz RHZNAONTQSKDOO-UHFFFAOYSA-N -1 1 489.575 3.543 50 0 JHAAMM CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1C ZINC000033707876 521377893 /nfs/dbraw/zinc/37/78/93/521377893.db2.gz SKFCLQLZKAJDJW-UHFFFAOYSA-N -1 1 484.530 3.649 50 0 JHAAMM COCC(=O)Nc1ccc(N2CCCC2)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000012525858 522784378 /nfs/dbraw/zinc/78/43/78/522784378.db2.gz WGKCBLMGJLAEDX-UHFFFAOYSA-N -1 1 457.474 3.691 50 0 JHAAMM COCCCNC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)nc1 ZINC000033138588 523368716 /nfs/dbraw/zinc/36/87/16/523368716.db2.gz XIQRCZLZMNZZRC-UHFFFAOYSA-N -1 1 457.577 3.800 50 0 JHAAMM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000048312120 523507927 /nfs/dbraw/zinc/50/79/27/523507927.db2.gz DWHCWETZEAQVED-INIZCTEOSA-N -1 1 452.330 3.986 50 0 JHAAMM COc1ccc(C)cc1NC(=O)[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000008596458 523835162 /nfs/dbraw/zinc/83/51/62/523835162.db2.gz YSNWYGADBBRBCZ-FQEVSTJZSA-N -1 1 468.560 3.667 50 0 JHAAMM CCc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)[N-]c1cccc(OC)c1 ZINC000046027634 523861233 /nfs/dbraw/zinc/86/12/33/523861233.db2.gz MNXKDMBZZFYYHE-UHFFFAOYSA-N -1 1 453.564 3.698 50 0 JHAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCc3nc(C)no3)ccc2N2CCCCC2)cc1 ZINC000012508582 524690431 /nfs/dbraw/zinc/69/04/31/524690431.db2.gz MPANTXRPYQFSMR-UHFFFAOYSA-N -1 1 499.593 3.749 50 0 JHAAMM COc1ccc([N-]S(=O)(=O)c2ccc3oc(SCN4C(=O)c5ccccc5C4=O)nc3c2)cc1 ZINC000022433321 524696617 /nfs/dbraw/zinc/69/66/17/524696617.db2.gz RVDDJKVXMWRBIL-UHFFFAOYSA-N -1 1 495.538 3.983 50 0 JHAAMM Cc1ccc(NC(=O)[C@H]([N-]S(=O)(=O)c2cccc3nsnc32)c2ccccc2)cc1F ZINC000020235698 525217936 /nfs/dbraw/zinc/21/79/36/525217936.db2.gz VIRYKIRFUIXHFG-LJQANCHMSA-N -1 1 456.524 3.797 50 0 JHAAMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCC[C@@H](C(=O)NCCC(C)C)C2)c1 ZINC000021710063 525335000 /nfs/dbraw/zinc/33/50/00/525335000.db2.gz LWISXMVBYCQANR-OAQYLSRUSA-N -1 1 471.623 3.810 50 0 JHAAMM Cc1c(Cl)cccc1NC(=O)CN1C(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc21 ZINC000008592108 525764901 /nfs/dbraw/zinc/76/49/01/525764901.db2.gz UTBCNCKVDJFMHL-UHFFFAOYSA-N -1 1 485.949 3.813 50 0 JHAAMM Cc1ccc(C(=O)NCc2nc(-c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)no2)cc1 ZINC000033122951 526189443 /nfs/dbraw/zinc/18/94/43/526189443.db2.gz MLYOFPQMHQTRTN-UHFFFAOYSA-N -1 1 466.494 3.915 50 0 JHAAMM Cc1nn2c(c1-c1ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c1)NC(=O)CCC2=O ZINC000033123006 526310414 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CCn1c(C)nc2cc([N-]S(=O)(=O)c3ccccc3)cc(C(=O)N(CCO)Cc3ccccc3)c21 ZINC000011790120 555825614 /nfs/dbraw/zinc/82/56/14/555825614.db2.gz JXSSYQFFUZGIFE-UHFFFAOYSA-N -1 1 492.601 3.800 50 0 JHAAMM Cn1c2ccc([N-]S(=O)(=O)c3ccccc3)cc2nc1CN1CCN(C(=O)C2CCCCC2)CC1 ZINC000020591990 555838650 /nfs/dbraw/zinc/83/86/50/555838650.db2.gz LSBWUBNAVGCPQM-UHFFFAOYSA-N -1 1 495.649 3.599 50 0 JHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OC[C@@H](C(=O)N2CCCCCC2)O3)cc1Cl ZINC000020603034 555844053 /nfs/dbraw/zinc/84/40/53/555844053.db2.gz YQTOJJHFVCAIQU-NRFANRHFSA-N -1 1 464.971 3.992 50 0 JHAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccc(F)cc3)N3CCOCC3)c2)cc1 ZINC000015536428 555913744 /nfs/dbraw/zinc/91/37/44/555913744.db2.gz LKPNCPOMWTYGFY-VWLOTQADSA-N -1 1 497.592 3.738 50 0 JHAAMM CC(C)[C@@H]1O[C@H](c2cccc([N-]S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)c2)OCC1(C)C ZINC000012401273 555975636 /nfs/dbraw/zinc/97/56/36/555975636.db2.gz OOTVYPLDXJDINT-FCHUYYIVSA-N -1 1 460.552 3.915 50 0 JHAAMM 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CCNC(=O)[C@H]1CCCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000015868430 556045445 /nfs/dbraw/zinc/04/54/45/556045445.db2.gz HIWWITINYCXPFQ-GOSISDBHSA-N -1 1 470.378 3.535 50 0 JHAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)cc2)cc1 ZINC000012576149 556075753 /nfs/dbraw/zinc/07/57/53/556075753.db2.gz LDBNYIMLVGYKKR-UHFFFAOYSA-N -1 1 477.542 3.835 50 0 JHAAMM CN(Cc1ccccc1F)C(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1 ZINC000013015725 556207404 /nfs/dbraw/zinc/20/74/04/556207404.db2.gz HYRFHEIMQOBOKP-HXUWFJFHSA-N -1 1 468.554 3.520 50 0 JHAAMM Cc1cc(NC(=O)COc2ccc(C)cc2)n(-c2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)n1 ZINC000017042966 556209837 /nfs/dbraw/zinc/20/98/37/556209837.db2.gz XCLGRNPMXHPXLP-UHFFFAOYSA-N -1 1 489.923 3.995 50 0 JHAAMM COc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)c2)cc1OC ZINC000017124755 556220518 /nfs/dbraw/zinc/22/05/18/556220518.db2.gz MZBNOOIICXIBHS-UHFFFAOYSA-N -1 1 470.503 3.528 50 0 JHAAMM CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)NCCc3ccccc3)[n-]c2=O)cc1 ZINC000017271348 556249832 /nfs/dbraw/zinc/24/98/32/556249832.db2.gz RLBDKUPNCYQMAR-UHFFFAOYSA-N -1 1 485.631 3.809 50 0 JHAAMM O=C(c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)N1CCN(c2ccccc2F)CC1 ZINC000026780175 556262045 /nfs/dbraw/zinc/26/20/45/556262045.db2.gz KTJOSNIFRSAHLT-UHFFFAOYSA-N -1 1 475.492 3.867 50 0 JHAAMM CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000018099316 556287441 /nfs/dbraw/zinc/28/74/41/556287441.db2.gz BTOFBGBAJBQKLE-UHFFFAOYSA-N -1 1 476.558 3.695 50 0 JHAAMM CCOC(=O)C1=C(C)Nc2nc(SCC(C)C)[n-]c(=O)c2[C@H]1c1ccc(C(=O)OC)cc1 ZINC000013114404 556319255 /nfs/dbraw/zinc/31/92/55/556319255.db2.gz DGHNQIXMMXHDAS-KRWDZBQOSA-N -1 1 457.552 3.699 50 0 JHAAMM CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CCn1c(-c2cccs2)n[n-]c1=S ZINC000031174822 556394037 /nfs/dbraw/zinc/39/40/37/556394037.db2.gz GWKIUYWKSWYSAX-UHFFFAOYSA-N -1 1 451.524 3.825 50 0 JHAAMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2C(F)(F)F)cc1 ZINC000031722362 556402442 /nfs/dbraw/zinc/40/24/42/556402442.db2.gz PCWNXBMMDNNGQQ-UHFFFAOYSA-N -1 1 450.442 3.819 50 0 JHAAMM O=S(=O)([N-]C[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)c1cc(F)ccc1F ZINC000056946313 563206409 /nfs/dbraw/zinc/20/64/09/563206409.db2.gz RLGLTGAAAGZUNG-HXUWFJFHSA-N -1 1 465.497 3.539 50 0 JHAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2cnc(N3CCC([NH+]4CCCCC4)CC3)c(C(=O)[O-])c2)cc1C ZINC000064843377 569637931 /nfs/dbraw/zinc/63/79/31/569637931.db2.gz MDWHHLURSAETIQ-UHFFFAOYSA-N -1 1 486.638 3.961 50 0 JHAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)cc1OC ZINC000064862019 569639489 /nfs/dbraw/zinc/63/94/89/569639489.db2.gz CZYVFHPNPSMCNB-UHFFFAOYSA-N -1 1 459.568 3.909 50 0 JHAAMM Cc1sc(-c2nnc(C(=O)N3CCCC3)o2)cc1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000065116622 569666585 /nfs/dbraw/zinc/66/65/85/569666585.db2.gz PYKSWUMFTOFJRV-UHFFFAOYSA-N -1 1 450.517 3.591 50 0 JHAAMM Cc1sc(-c2nnc(C(=O)N3CCCCC3)o2)cc1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000065116753 569666678 /nfs/dbraw/zinc/66/66/78/569666678.db2.gz XNWZSMUBWCZDCO-UHFFFAOYSA-N -1 1 464.544 3.981 50 0 JHAAMM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(-c2noc(C(=O)N3CCCC3)n2)ccc1C ZINC000065318851 569673277 /nfs/dbraw/zinc/67/32/77/569673277.db2.gz ZKTAALAQINFVSY-UHFFFAOYSA-N -1 1 454.552 3.953 50 0 JHAAMM CN(C)c1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CN(Cc2ccc(F)cc2)CC3)cc1 ZINC000067291453 569685668 /nfs/dbraw/zinc/68/56/68/569685668.db2.gz AGSXWUISZDSRAA-UHFFFAOYSA-N -1 1 467.570 3.676 50 0 JHAAMM Cc1ccc(S(=O)(=O)[N-]c2cnc(N3CCC(CC[NH+]4CCCCC4)CC3)c(C(=O)[O-])c2)cc1 ZINC000035397813 569688497 /nfs/dbraw/zinc/68/84/97/569688497.db2.gz PYHCEFPGGMQLKS-UHFFFAOYSA-N -1 1 486.638 3.981 50 0 JHAAMM CCCn1nc(C)cc1CN(C)c1ncc(NS(=O)(=O)c2ccccc2Cl)cc1C(=O)[O-] ZINC000035397890 569688589 /nfs/dbraw/zinc/68/85/89/569688589.db2.gz WXJGUECEZUENNA-UHFFFAOYSA-N -1 1 477.974 3.785 50 0 JHAAMM CCn1nc(C)c(CCN(C)c2ncc(NS(=O)(=O)c3ccccc3Cl)cc2C(=O)[O-])c1C ZINC000035397871 569688640 /nfs/dbraw/zinc/68/86/40/569688640.db2.gz XIYSPTASKYPVNB-UHFFFAOYSA-N -1 1 492.001 3.746 50 0 JHAAMM CCCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(OCC)c(F)c3)cc21 ZINC000035587835 569705065 /nfs/dbraw/zinc/70/50/65/569705065.db2.gz ZESXFHCJYOIHTD-UHFFFAOYSA-N -1 1 456.561 3.518 50 0 JHAAMM O=C(Nc1ccc(F)cc1)c1cnc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[n-]c1=O ZINC000095538797 569726304 /nfs/dbraw/zinc/72/63/04/569726304.db2.gz RUNZSPSUFWGCCV-UHFFFAOYSA-N -1 1 461.419 3.507 50 0 JHAAMM O=C(CCn1c(=O)sc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc21)N1CCCC1 ZINC000095841934 569729032 /nfs/dbraw/zinc/72/90/32/569729032.db2.gz PGJGWZRSSYOVHF-UHFFFAOYSA-N -1 1 465.984 3.530 50 0 JHAAMM O=C([O-])COc1ccccc1[C@H]1CC(=O)Oc2cc(=O)c3c(O)c(-c4ccc(O)cc4)coc-3c21 ZINC000096115034 569733992 /nfs/dbraw/zinc/73/39/92/569733992.db2.gz BTXZVAVQZUKQOW-MRXNPFEDSA-N -1 1 474.421 3.776 50 0 biogenic JHAAMM O=C([O-])COc1ccccc1[C@H]1CC(=O)Oc2cc(O)c3c(=O)c(-c4ccc(O)cc4)coc3c21 ZINC000096115034 569733993 /nfs/dbraw/zinc/73/39/93/569733993.db2.gz BTXZVAVQZUKQOW-MRXNPFEDSA-N -1 1 474.421 3.776 50 0 biogenic JHAAMM COC(=O)COc1c(OC)cccc1[C@H]1SC(C)=Nc2c1c(=O)[n-]n2[C@H]1CCOC(C)(C)C1 ZINC000096117797 569736056 /nfs/dbraw/zinc/73/60/56/569736056.db2.gz HOEXTDYTFDXWPL-VBKZILBWSA-N -1 1 475.567 3.753 50 0 JHAAMM COc1ccc(CNC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(OC)cc5)nc-4c3c2)cc1 ZINC000101281827 569788998 /nfs/dbraw/zinc/78/89/98/569788998.db2.gz YGRJWJRUQJAABK-UHFFFAOYSA-N -1 1 454.486 3.766 50 0 JHAAMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccc2C)c1 ZINC000101628028 569801900 /nfs/dbraw/zinc/80/19/00/569801900.db2.gz RVSURXHPDUNTQN-NHCUHLMSSA-N -1 1 484.574 3.648 50 0 JHAAMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccc2C)cc1 ZINC000101628848 569801988 /nfs/dbraw/zinc/80/19/88/569801988.db2.gz OEDXRQLVMKWVKH-NHCUHLMSSA-N -1 1 484.574 3.648 50 0 JHAAMM CCC(=O)N1N=C(c2c([O-])[nH]c(=O)n(C3CCCCC3)c2=O)C[C@@H]1c1ccc(C(C)C)cc1 ZINC000101764988 569803828 /nfs/dbraw/zinc/80/38/28/569803828.db2.gz ZWQXPSLYCFOEOM-HXUWFJFHSA-N -1 1 452.555 3.959 50 0 JHAAMM COc1ccc(CCNC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccccc5)nc-4c3c2)cc1OC ZINC000101828445 569805574 /nfs/dbraw/zinc/80/55/74/569805574.db2.gz XZPWNAURXCELPF-UHFFFAOYSA-N -1 1 468.513 3.808 50 0 JHAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccc(Br)cc1C)CC(=O)N2 ZINC000046074274 569843272 /nfs/dbraw/zinc/84/32/72/569843272.db2.gz MXTAYEXHGIWSCF-GFCCVEGCSA-N -1 1 465.373 3.798 50 0 JHAAMM O=C(Nc1cccc(F)c1)[C@@H]1CC(=O)Nc2nc(SCc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000046075184 569843935 /nfs/dbraw/zinc/84/39/35/569843935.db2.gz HBPOMNXHEKCOAP-OAHLLOKOSA-N -1 1 458.902 3.919 50 0 JHAAMM O=C(Nc1ccc(F)cc1F)[C@H]1CC(=O)Nc2nc(SCc3ccccc3F)[n-]c(=O)c21 ZINC000046075320 569844130 /nfs/dbraw/zinc/84/41/30/569844130.db2.gz OQUUQTGQQHTZJZ-LBPRGKRZSA-N -1 1 460.437 3.544 50 0 JHAAMM CCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(SCc3ccc(F)cc3)[n-]c(=O)c21 ZINC000046075389 569844136 /nfs/dbraw/zinc/84/41/36/569844136.db2.gz KAQXVEVQXNMXGV-MRXNPFEDSA-N -1 1 452.511 3.828 50 0 JHAAMM Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[n-]c(=O)c32)c1 ZINC000046075401 569844233 /nfs/dbraw/zinc/84/42/33/569844233.db2.gz BSASZPHCTVZMMB-QGZVFWFLSA-N -1 1 452.511 3.883 50 0 JHAAMM O=C(Nc1cc(F)ccc1F)[C@@H]1CC(=O)Nc2nc(SCc3cccc(F)c3)[n-]c(=O)c21 ZINC000046075826 569844625 /nfs/dbraw/zinc/84/46/25/569844625.db2.gz XKBVNIDOAUAEME-CYBMUJFWSA-N -1 1 460.437 3.544 50 0 JHAAMM CC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Cl)c1csc(N)n1 ZINC000252474830 570081417 /nfs/dbraw/zinc/08/14/17/570081417.db2.gz MZUXPGJSEQCONL-UHFFFAOYSA-N -1 1 466.932 3.924 50 0 JHAAMM O=C(COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)NCCCc1ccccc1 ZINC000003506585 194334085 /nfs/dbraw/zinc/33/40/85/194334085.db2.gz PXJKTKMWGVBRRX-UHFFFAOYSA-N -1 1 470.522 3.532 50 0 JHAAMM COC(=O)[C@]([N-]c1nc2c(cccc2C)s1)(NC(=O)c1ccccc1OC)C(F)(F)F ZINC000009088205 194523854 /nfs/dbraw/zinc/52/38/54/194523854.db2.gz KCMVKPUGMVMBTE-LJQANCHMSA-N -1 1 453.442 3.887 50 0 JHAAMM O=C(c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)N1CCCc2ccccc21 ZINC000009877207 195008891 /nfs/dbraw/zinc/00/88/91/195008891.db2.gz ADKLWUMQEFSJAC-UHFFFAOYSA-N -1 1 450.516 3.852 50 0 JHAAMM CCOc1ccc(-c2n[n-]c(=S)n2CC(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 ZINC000012607479 195052592 /nfs/dbraw/zinc/05/25/92/195052592.db2.gz MTKJYMFBVWSAOA-UHFFFAOYSA-N -1 1 465.579 3.558 50 0 JHAAMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(-c4csc(N5CCOCC5)n4)cc3)cc2C[C@@H]1C ZINC000012649939 195075401 /nfs/dbraw/zinc/07/54/01/195075401.db2.gz QZHALRNVPDCGKX-INIZCTEOSA-N -1 1 498.630 3.745 50 0 JHAAMM COc1ccc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000012734390 195099992 /nfs/dbraw/zinc/09/99/92/195099992.db2.gz QQXFGMJMQNUKMG-QFIPXVFZSA-N -1 1 485.581 3.976 50 0 JHAAMM 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CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(COCC(F)(F)F)cc2)c1 ZINC000022467917 520805655 /nfs/dbraw/zinc/80/56/55/520805655.db2.gz BTNCZCIDBZYLKZ-UHFFFAOYSA-N -1 1 460.474 3.754 50 0 JHAAMM COC(=O)c1cc(CNC(=O)c2ccoc2)cc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000014993470 521854586 /nfs/dbraw/zinc/85/45/86/521854586.db2.gz GQAYUFITMMCDRI-UHFFFAOYSA-N -1 1 482.436 3.816 50 0 JHAAMM CCc1nn2c(c1-c1ccc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3)c1)NC(=O)CCC2=O ZINC000033276646 522707141 /nfs/dbraw/zinc/70/71/41/522707141.db2.gz RQDDAAQBMFXIFI-UHFFFAOYSA-N -1 1 456.499 3.733 50 0 JHAAMM COCCNC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)nc1 ZINC000033138428 523926342 /nfs/dbraw/zinc/92/63/42/523926342.db2.gz KSNOSDGYBBLZHV-UHFFFAOYSA-N -1 1 457.577 3.718 50 0 JHAAMM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](CC(=O)N2CCCC2)CS3)c1C ZINC000033290334 524691479 /nfs/dbraw/zinc/69/14/79/524691479.db2.gz YOYKERGADCKVEW-KRWDZBQOSA-N -1 1 473.620 3.777 50 0 JHAAMM 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COCCCNC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000065059870 569655200 /nfs/dbraw/zinc/65/52/00/569655200.db2.gz VJVGBRRPZDTGOH-UHFFFAOYSA-N -1 1 459.499 3.580 50 0 JHAAMM Cc1ccc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)[N-]c1ccc(-c2ccno2)cc1 ZINC000065318894 569673254 /nfs/dbraw/zinc/67/32/54/569673254.db2.gz PNQYPJFEHWAZFL-UHFFFAOYSA-N -1 1 479.518 3.737 50 0 JHAAMM O=C(CSc1nc2c(c(=O)[n-]1)CN(Cc1ccc(F)cc1)CC2)NCCCc1ccccc1 ZINC000067291581 569685869 /nfs/dbraw/zinc/68/58/69/569685869.db2.gz KUVYNCCBLIOEEG-UHFFFAOYSA-N -1 1 466.582 3.721 50 0 JHAAMM Cc1noc(C)c1-n1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)ccc1=O ZINC000085652070 569713867 /nfs/dbraw/zinc/71/38/67/569713867.db2.gz MLEAIWQXAJHDLG-UHFFFAOYSA-N -1 1 450.520 3.922 50 0 JHAAMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc4ccc([O-])cc4oc3=O)cc2)cc1 ZINC000098086457 569750408 /nfs/dbraw/zinc/75/04/08/569750408.db2.gz UTWQWMALXKLFEK-UHFFFAOYSA-N -1 1 450.472 3.860 50 0 JHAAMM COc1ccc(CN(C(=O)c2ccco2)c2nn3c([n-]2)nc(C)c(Cc2ccccc2)c3=O)cc1 ZINC000101861190 569806486 /nfs/dbraw/zinc/80/64/86/569806486.db2.gz BWXOOILOAIXWBQ-UHFFFAOYSA-N -1 1 469.501 3.765 50 0 JHAAMM Cc1ccc(NC(=O)CSc2nnnn2C2CC2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000040049293 569814870 /nfs/dbraw/zinc/81/48/70/569814870.db2.gz CNKSZECPTWTRAC-UHFFFAOYSA-N -1 1 478.987 3.501 50 0 JHAAMM O=C(Nc1ccc(F)cc1F)[C@@H]1CC(=O)Nc2nc(SCc3ccc(F)cc3)[n-]c(=O)c21 ZINC000046075434 569844121 /nfs/dbraw/zinc/84/41/21/569844121.db2.gz JGEOTUMGTLQRAT-CYBMUJFWSA-N -1 1 460.437 3.544 50 0 JHAAMM O=C(Nc1cccc(Cl)c1)[C@H]1CC(=O)Nc2nc(SCc3ccccc3F)[n-]c(=O)c21 ZINC000046075267 569844179 /nfs/dbraw/zinc/84/41/79/569844179.db2.gz UMIHMESJIDFJNX-AWEZNQCLSA-N -1 1 458.902 3.919 50 0 JHAAMM CCOc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(Cl)cc2)ccc1O ZINC000002505834 194162210 /nfs/dbraw/zinc/16/22/10/194162210.db2.gz GVRCKTDQJDJBPP-TXPKVOOTSA-N -1 1 458.820 3.548 50 0 aggregator JHAAMM COC(=O)c1ccc(OC(=O)c2ccc(NC(=O)Cc3sc(N4CCCCC4)nc3[O-])cc2)cc1 ZINC000003428035 194321272 /nfs/dbraw/zinc/32/12/72/194321272.db2.gz YUTNHVYUJKMEGK-HXUWFJFHSA-N -1 1 495.557 3.505 50 0 JHAAMM COC(=O)c1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)s1 ZINC000012605411 195050809 /nfs/dbraw/zinc/05/08/09/195050809.db2.gz QCMLKEMTBKUXGD-UHFFFAOYSA-N -1 1 488.543 3.749 50 0 JHAAMM O=C(Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1)NCCNc1ccccn1 ZINC000012605403 195051062 /nfs/dbraw/zinc/05/10/62/195051062.db2.gz FZBBVNUFCVEBQV-UHFFFAOYSA-N -1 1 479.389 3.960 50 0 JHAAMM CCOc1ccc(-c2n[n-]c(=S)n2CC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000012597940 195044016 /nfs/dbraw/zinc/04/40/16/195044016.db2.gz VPBBGIXMGBVUEX-UHFFFAOYSA-N -1 1 451.596 3.972 50 0 JHAAMM COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000012792019 195132787 /nfs/dbraw/zinc/13/27/87/195132787.db2.gz XJPBWFYDODTCFR-UHFFFAOYSA-N -1 1 451.806 3.733 50 0 JHAAMM COc1ccc(C2(CNC(=O)CCc3c(C)c4ccc([O-])cc4oc3=O)CCOCC2)cc1 ZINC000012901588 195177842 /nfs/dbraw/zinc/17/78/42/195177842.db2.gz YRTYYICUFZRZQS-UHFFFAOYSA-N -1 1 451.519 3.613 50 0 biogenic JHAAMM O=C(CSc1nc(-c2ccccc2F)nc2cc(=O)[n-]n21)NCCc1ccc(Cl)cc1 ZINC000020987128 195260945 /nfs/dbraw/zinc/26/09/45/195260945.db2.gz SCBGZHHKIUZEOW-UHFFFAOYSA-N -1 1 457.918 3.740 50 0 JHAAMM C[C@@H](OC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)C(=O)NCc1ccccc1 ZINC000021121101 195279637 /nfs/dbraw/zinc/27/96/37/195279637.db2.gz HWIDENJAJDNEQY-OAHLLOKOSA-N -1 1 474.485 3.627 50 0 JHAAMM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3nn(C)c(=O)c4c3CCCC4)ccc2C)c1 ZINC000046027343 518446344 /nfs/dbraw/zinc/44/63/44/518446344.db2.gz OJBILDUDYVUXFI-UHFFFAOYSA-N -1 1 451.548 3.638 50 0 JHAAMM CC(C)NC(=O)[C@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)C1 ZINC000021706538 519716009 /nfs/dbraw/zinc/71/60/09/519716009.db2.gz ACRFZQDHQJMXSM-KRWDZBQOSA-N -1 1 463.987 3.518 50 0 JHAAMM CCCCNC(=O)[C@@H]1CCCN1C(=O)c1cccc([N-]S(=O)(=O)c2cc(C)c(C)cc2C)c1 ZINC000021662720 520659546 /nfs/dbraw/zinc/65/95/46/520659546.db2.gz HNJMRWJFKPILSQ-QFIPXVFZSA-N -1 1 471.623 3.934 50 0 JHAAMM CCOC(=O)[C@H]1CCCN(c2ccc(NS(=O)(=O)c3cc(Cl)ccc3OC)cc2C(=O)[O-])C1 ZINC000033253397 521303438 /nfs/dbraw/zinc/30/34/38/521303438.db2.gz OFQBCGXSUSHAQO-AWEZNQCLSA-N -1 1 496.969 3.627 50 0 JHAAMM CCOC(=O)c1c(-c2ccc(C)cc2)csc1[N-]C(=O)c1nc(S(C)(=O)=O)ncc1Cl ZINC000016751780 521371173 /nfs/dbraw/zinc/37/11/73/521371173.db2.gz SQJANISVQMVWAO-UHFFFAOYSA-N -1 1 479.967 3.999 50 0 JHAAMM CCOCCC[N@H+](C)C1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000033254048 521704088 /nfs/dbraw/zinc/70/40/88/521704088.db2.gz LNDPHTQLKJVZJP-UHFFFAOYSA-N -1 1 489.638 3.821 50 0 JHAAMM CCOCCC[N@@H+](C)C1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000033254048 521704090 /nfs/dbraw/zinc/70/40/90/521704090.db2.gz LNDPHTQLKJVZJP-UHFFFAOYSA-N -1 1 489.638 3.821 50 0 JHAAMM COc1ccc(-c2nc3cc(=O)[n-]n3c(SCC(=O)Oc3ccc(C(C)C)cc3)n2)cc1 ZINC000021885454 523227568 /nfs/dbraw/zinc/22/75/68/523227568.db2.gz HZQWQSCRUMLZTP-UHFFFAOYSA-N -1 1 450.520 3.914 50 0 JHAAMM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)CN2CC(=O)N1CCCC1 ZINC000033129794 523843413 /nfs/dbraw/zinc/84/34/13/523843413.db2.gz CMERZMOISCVSBO-UHFFFAOYSA-N -1 1 457.596 3.524 50 0 JHAAMM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3Cc2noc(C3CCC3)n2)cc1 ZINC000064946949 523995366 /nfs/dbraw/zinc/99/53/66/523995366.db2.gz JENIKNWWMRYVIK-UHFFFAOYSA-N -1 1 454.508 3.657 50 0 JHAAMM C[C@@H]1CCCN(c2ncc(C(=O)[O-])cc2NS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000035479670 524250738 /nfs/dbraw/zinc/25/07/38/524250738.db2.gz PKNORUAYWXXERK-GFCCVEGCSA-N -1 1 454.346 3.579 50 0 JHAAMM COc1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CN(Cc2ccc(F)cc2)CC3)cc1OC ZINC000012415295 524508195 /nfs/dbraw/zinc/50/81/95/524508195.db2.gz YRGJZJNZPOEMKT-UHFFFAOYSA-N -1 1 484.553 3.628 50 0 JHAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3nccs3)c2)cc1Br ZINC000012525901 524697136 /nfs/dbraw/zinc/69/71/36/524697136.db2.gz SWZSDXQNCIMNIY-UHFFFAOYSA-N 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JHAAMM NC(=O)Nc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)cc1 ZINC000025885085 526949139 /nfs/dbraw/zinc/94/91/39/526949139.db2.gz IUXCIEVOOXXELM-UHFFFAOYSA-N -1 1 489.351 3.993 50 0 JHAAMM COc1ccc(CCNC(=O)c2cccc([N-]S(=O)(=O)c3cccc(F)c3)c2)cc1OC ZINC000000631439 553718246 /nfs/dbraw/zinc/71/82/46/553718246.db2.gz RGXKFTNJLUAMNK-UHFFFAOYSA-N -1 1 458.511 3.616 50 0 JHAAMM O=C(c1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1)N1CCN(c2ccccc2F)CC1 ZINC000000631430 553718286 /nfs/dbraw/zinc/71/82/86/553718286.db2.gz UAOWRPRDGVGFJW-UHFFFAOYSA-N -1 1 457.502 3.728 50 0 JHAAMM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cc1C ZINC000000660540 553739196 /nfs/dbraw/zinc/73/91/96/553739196.db2.gz CBPXBYIZWDREPA-UHFFFAOYSA-N -1 1 474.560 3.676 50 0 JHAAMM COc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000002458610 554222545 /nfs/dbraw/zinc/22/25/45/554222545.db2.gz BWECTULQVLRFBL-UHFFFAOYSA-N -1 1 452.941 3.950 50 0 JHAAMM CC(=O)Nc1ccc(NC(=O)CSc2nnc([N-]C(=O)c3ccc(Br)o3)s2)cc1 ZINC000008822194 554710699 /nfs/dbraw/zinc/71/06/99/554710699.db2.gz JGTZKOADSIAIBS-UHFFFAOYSA-N -1 1 496.368 3.835 50 0 JHAAMM O=C1CCc2cc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)ccc2N1Cc1ccccc1 ZINC000008840647 554740062 /nfs/dbraw/zinc/74/00/62/554740062.db2.gz RIIJBLUEDHNUMV-UHFFFAOYSA-N -1 1 450.516 3.738 50 0 JHAAMM COc1ccccc1NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000009126136 554919581 /nfs/dbraw/zinc/91/95/81/554919581.db2.gz HGBKTSPXVAQMLD-UHFFFAOYSA-N -1 1 454.476 3.575 50 0 JHAAMM O=C1c2cccnc2C(=O)N1Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc2c1CCCC2 ZINC000009153276 554942621 /nfs/dbraw/zinc/94/26/21/554942621.db2.gz XAJAAMLJXPUYLZ-UHFFFAOYSA-N -1 1 465.506 3.697 50 0 JHAAMM CN(Cc1ccsc1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000009203337 554973550 /nfs/dbraw/zinc/97/35/50/554973550.db2.gz LLESEEOYAZTYQK-UHFFFAOYSA-N -1 1 458.561 3.982 50 0 JHAAMM COc1cc(CNC(=O)c2cccc([N-]S(=O)(=O)c3cc(F)ccc3C)c2)cc(OC)c1OC ZINC000009223764 554994286 /nfs/dbraw/zinc/99/42/86/554994286.db2.gz 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50 0 JHAAMM COc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)Cc2ccsc2)c1 ZINC000009540009 555332417 /nfs/dbraw/zinc/33/24/17/555332417.db2.gz SGCXCPOQIQRHNV-UHFFFAOYSA-N -1 1 487.603 3.575 50 0 JHAAMM CC(C)(C)c1ccc(OCCCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])cc1 ZINC000009637280 555344633 /nfs/dbraw/zinc/34/46/33/555344633.db2.gz ZQITXIITIBIJAZ-UHFFFAOYSA-N -1 1 476.595 3.508 50 0 JHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1NC(=O)c1ccccn1 ZINC000009738854 555470283 /nfs/dbraw/zinc/47/02/83/555470283.db2.gz FRCKKSSFFLRTRC-UHFFFAOYSA-N -1 1 462.325 3.906 50 0 JHAAMM O=C(Cc1sc(N2CCCCC2)nc1[O-])Nc1ccc(C(=O)NC2CCCCCC2)cc1 ZINC000009742353 555473849 /nfs/dbraw/zinc/47/38/49/555473849.db2.gz CCMLVLFKZNBJIV-FQEVSTJZSA-N -1 1 456.612 3.952 50 0 JHAAMM O=C(NCCc1ccc(F)cc1)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000009790478 555509489 /nfs/dbraw/zinc/50/94/89/555509489.db2.gz JJFHAONYHCNMTK-UHFFFAOYSA-N -1 1 470.522 3.760 50 0 JHAAMM O=C(NCCc1cccs1)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 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/nfs/dbraw/zinc/85/00/78/555850078.db2.gz QVDCEBXGQWQDBL-LJQANCHMSA-N -1 1 480.590 3.913 50 0 JHAAMM CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3c(c(=O)[n-]1)CCCC3)C[C@@H](C)CC2 ZINC000011905507 555853418 /nfs/dbraw/zinc/85/34/18/555853418.db2.gz ZIHLRHSODRSFEA-LBPRGKRZSA-N -1 1 461.609 3.743 50 0 JHAAMM CC[C@@H](C)[N-]S(=O)(=O)c1sc2c(c1C(=O)OC)CCN(C(=O)c1cc3ccccc3o1)C2 ZINC000012160654 555930642 /nfs/dbraw/zinc/93/06/42/555930642.db2.gz XFVNTTQGZUKCPL-CYBMUJFWSA-N -1 1 476.576 3.556 50 0 JHAAMM CC[C@H](C)C(=O)N1CCc2c(sc(S(=O)(=O)[N-]Cc3cccc(Cl)c3)c2C(=O)OC)C1 ZINC000012166254 555933101 /nfs/dbraw/zinc/93/31/01/555933101.db2.gz GRNOVWHGLNABKI-ZDUSSCGKSA-N -1 1 485.027 3.597 50 0 JHAAMM O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)s1 ZINC000015720809 555954924 /nfs/dbraw/zinc/95/49/24/555954924.db2.gz QCXJXYQDAHYIHN-UHFFFAOYSA-N -1 1 451.888 3.533 50 0 JHAAMM CC(=O)c1ccc(OCC(=O)Nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)cc1 ZINC000015743037 555983990 /nfs/dbraw/zinc/98/39/90/555983990.db2.gz 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CC(C)(C)OC(=O)N1CCN(c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cn2)CC1 ZINC000039575076 563136808 /nfs/dbraw/zinc/13/68/08/563136808.db2.gz ZDNXHUXHBUQTQM-UHFFFAOYSA-N -1 1 452.964 3.593 50 0 JHAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3N3CCOCC3)c2)cc1 ZINC000008725706 569600447 /nfs/dbraw/zinc/60/04/47/569600447.db2.gz HRYXUFIKPCVCAV-UHFFFAOYSA-N -1 1 451.548 3.885 50 0 JHAAMM CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C)cc3C)[n-]c2=O)cc1 ZINC000064592048 569622350 /nfs/dbraw/zinc/62/23/50/569622350.db2.gz LZCBHOJCXCEKIE-UHFFFAOYSA-N -1 1 457.577 3.925 50 0 JHAAMM Cc1nc2[n-]c(N(Cc3ccc(Br)cc3)C(=O)c3ccc(F)cc3)nn2c(=O)c1C ZINC000064813940 569632211 /nfs/dbraw/zinc/63/22/11/569632211.db2.gz IKEFZBCKHJBOSI-UHFFFAOYSA-N -1 1 470.302 3.783 50 0 JHAAMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)N2CCCCCC2)c1 ZINC000064846611 569638748 /nfs/dbraw/zinc/63/87/48/569638748.db2.gz JFVSOGWDXQDXPY-UHFFFAOYSA-N -1 1 497.617 3.762 50 0 JHAAMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc2c(cc1C)N(Cc1noc(C3CC3)n1)C(=O)CO2 ZINC000065022755 569649629 /nfs/dbraw/zinc/64/96/29/569649629.db2.gz OLFKAQFJBNAABS-UHFFFAOYSA-N -1 1 488.953 3.944 50 0 JHAAMM CCc1ccccc1[N-]S(=O)(=O)c1cc2c(cc1C)N(Cc1noc(C3CCC3)n1)C(=O)CO2 ZINC000065022864 569649685 /nfs/dbraw/zinc/64/96/85/569649685.db2.gz ZAWYNYQOGRGDGM-UHFFFAOYSA-N -1 1 482.562 3.934 50 0 JHAAMM COCCNC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000065059798 569654960 /nfs/dbraw/zinc/65/49/60/569654960.db2.gz PUYCWXWBEPQQEF-UHFFFAOYSA-N -1 1 455.536 3.668 50 0 JHAAMM O=C(c1noc2ccc(S(=O)(=O)[N-]c3cccc(Br)c3)cc21)N1CCCC1 ZINC000065115216 569665458 /nfs/dbraw/zinc/66/54/58/569665458.db2.gz YJTXRXCKVIAIQW-UHFFFAOYSA-N -1 1 450.314 3.627 50 0 JHAAMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCCCCC4)n3)ccc2C)cc1 ZINC000065319118 569673705 /nfs/dbraw/zinc/67/37/05/569673705.db2.gz AVVCUUBDLGTQCQ-UHFFFAOYSA-N -1 1 497.577 3.820 50 0 JHAAMM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)N2CCCCCC2)c1 ZINC000035399169 569689711 /nfs/dbraw/zinc/68/97/11/569689711.db2.gz RTGFPMLPUUFOGT-UHFFFAOYSA-N -1 1 469.607 3.868 50 0 JHAAMM Cc1noc(C)c1-n1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3cccc(F)c3)c2)ccc1=O ZINC000085651990 569713700 /nfs/dbraw/zinc/71/37/00/569713700.db2.gz RRONVVQRWBYZKY-UHFFFAOYSA-N -1 1 454.483 3.753 50 0 JHAAMM CCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3CCC(=O)N2CCCCC2)c1 ZINC000095841927 569728928 /nfs/dbraw/zinc/72/89/28/569728928.db2.gz WZVNTTBGVCISEX-UHFFFAOYSA-N -1 1 473.620 3.829 50 0 JHAAMM Cn1c2ccc([C@H]3CC(=O)Oc4cc([O-])c5c(=O)c(-c6ccc(O)cc6)coc5c43)cc2n(C)c1=O ZINC000096115007 569734044 /nfs/dbraw/zinc/73/40/44/569734044.db2.gz SVMSHZXJBIVORK-MRXNPFEDSA-N -1 1 484.464 3.503 50 0 biogenic JHAAMM Cn1c2ccc([C@H]3CC(=O)Oc4cc(=O)c5c([O-])c(-c6ccc(O)cc6)coc-5c43)cc2n(C)c1=O ZINC000096115007 569734046 /nfs/dbraw/zinc/73/40/46/569734046.db2.gz SVMSHZXJBIVORK-MRXNPFEDSA-N -1 1 484.464 3.503 50 0 biogenic JHAAMM 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C[C@H](NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1)c1ccc(F)cc1 ZINC000009640558 555350599 /nfs/dbraw/zinc/35/05/99/555350599.db2.gz NFCWPKXIEBWKTI-MGPUTAFESA-N -1 1 468.554 3.739 50 0 JHAAMM C[C@H](OC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)C(=O)N1CCc2ccccc21 ZINC000009562680 555363968 /nfs/dbraw/zinc/36/39/68/555363968.db2.gz POOOOGKFSGUEEX-INIZCTEOSA-N -1 1 468.506 3.761 50 0 JHAAMM Cc1cccc(C)c1NC(=O)[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000009692412 555419366 /nfs/dbraw/zinc/41/93/66/555419366.db2.gz VSIYIPFIPNXYPJ-HXUWFJFHSA-N -1 1 452.561 3.966 50 0 JHAAMM O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000009631143 555459604 /nfs/dbraw/zinc/45/96/04/555459604.db2.gz JGOUKJPNAFCABK-UHFFFAOYSA-N -1 1 483.933 3.766 50 0 JHAAMM O=S(=O)([N-]c1cccc(S(=O)(=O)NC2CC2)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000010518330 555722492 /nfs/dbraw/zinc/72/24/92/555722492.db2.gz ICOJHYDNSLVLLG-UHFFFAOYSA-N -1 1 488.431 3.966 50 0 JHAAMM 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CCN1CCc2c3ccccc3[nH]c2[C@H]1c1c(=O)[nH]c(=O)n(-c2cccc3ccccc32)c1[O-] ZINC000020567755 555820965 /nfs/dbraw/zinc/82/09/65/555820965.db2.gz JOOSAZBIXBGRCQ-XMMPIXPASA-N -1 1 452.514 3.833 50 0 JHAAMM COc1ccc(CC(=O)Nc2cc(-c3cccs3)nn2-c2nc(C)cc(=O)[n-]2)cc1OC ZINC000011854441 555836369 /nfs/dbraw/zinc/83/63/69/555836369.db2.gz FMYHXVWKPQWZAK-UHFFFAOYSA-N -1 1 451.508 3.603 50 0 JHAAMM C[C@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)[N-]c3ccc(Oc4ccccc4)cc3)cc2)C1=O ZINC000011858259 555837902 /nfs/dbraw/zinc/83/79/02/555837902.db2.gz IBYUPBNWLKFYHM-INIZCTEOSA-N -1 1 472.544 3.592 50 0 JHAAMM CC[C@@H](C)[N-]S(=O)(=O)c1sc2c(c1C(=O)OC)CCN(C(=O)c1ccc(F)cc1Cl)C2 ZINC000015072154 555871316 /nfs/dbraw/zinc/87/13/16/555871316.db2.gz AZSTYPCRGDERKG-LLVKDONJSA-N -1 1 488.990 3.603 50 0 JHAAMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)CC1 ZINC000022356721 555924434 /nfs/dbraw/zinc/92/44/34/555924434.db2.gz NFILIUXIHIDOOA-UHFFFAOYSA-N -1 1 453.498 3.826 50 0 JHAAMM COC(=O)c1cc(CNC(=O)c2csc(SC)n2)cc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000012151633 555924500 /nfs/dbraw/zinc/92/45/00/555924500.db2.gz JFNNVIUTKXZFBC-UHFFFAOYSA-N -1 1 495.579 3.522 50 0 JHAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@H](c3cccs3)N3CCOCC3)c2)cc1 ZINC000012526469 555995041 /nfs/dbraw/zinc/99/50/41/555995041.db2.gz YJZHCGMQADEZRB-JOCHJYFZSA-N -1 1 485.631 3.661 50 0 JHAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)Cc3ccc(C)cc3)ccc2N2CCOCC2)cc1 ZINC000012532506 556002907 /nfs/dbraw/zinc/00/29/07/556002907.db2.gz RNFJQYKAPVQRKP-UHFFFAOYSA-N -1 1 495.601 3.822 50 0 JHAAMM COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1OC ZINC000012548483 556026563 /nfs/dbraw/zinc/02/65/63/556026563.db2.gz SKSFCIFGAXTJGT-UHFFFAOYSA-N -1 1 454.548 3.786 50 0 JHAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)c2)cc1 ZINC000012552087 556034674 /nfs/dbraw/zinc/03/46/74/556034674.db2.gz RXKBPSLIBOLZAB-MRXNPFEDSA-N -1 1 468.531 3.758 50 0 JHAAMM COc1cc(OC)cc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)c1 ZINC000012552673 556035990 /nfs/dbraw/zinc/03/59/90/556035990.db2.gz SCBWBFYSZLJXRB-UHFFFAOYSA-N -1 1 484.530 3.918 50 0 JHAAMM O=S(=O)([N-]c1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1ccc(Br)cc1 ZINC000015882174 556055157 /nfs/dbraw/zinc/05/51/57/556055157.db2.gz GJDYKXOAQLEZGB-UHFFFAOYSA-N -1 1 475.368 3.544 50 0 JHAAMM CC1CCN(c2ccc(-c3ccc([N-]S(=O)(=O)c4ccc5c(c4)OCCO5)cc3)nn2)CC1 ZINC000015882198 556055442 /nfs/dbraw/zinc/05/54/42/556055442.db2.gz HUCNBQKVNIMPON-UHFFFAOYSA-N -1 1 466.563 3.952 50 0 JHAAMM O=S(=O)([N-]c1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1ccc2c(c1)OCCO2 ZINC000015882222 556055490 /nfs/dbraw/zinc/05/54/90/556055490.db2.gz XVDLUMKBLYTNSO-UHFFFAOYSA-N -1 1 452.536 3.706 50 0 JHAAMM Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000023956357 556105237 /nfs/dbraw/zinc/10/52/37/556105237.db2.gz AANBSIAQVHUIKF-RUZDIDTESA-N -1 1 479.602 3.599 50 0 JHAAMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000024136900 556123014 /nfs/dbraw/zinc/12/30/14/556123014.db2.gz AXCMMCGICMGLED-UHFFFAOYSA-N -1 1 463.607 3.586 50 0 JHAAMM COc1ccc(C2(CNC(=O)Cc3c(C)c4c([O-])cc(C)cc4oc3=O)CCOCC2)cc1 ZINC000012895703 556125369 /nfs/dbraw/zinc/12/53/69/556125369.db2.gz VSSBRBGQHLTKGH-UHFFFAOYSA-N -1 1 451.519 3.531 50 0 biogenic JHAAMM Cc1ccc(NC(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3[O-])cc2)c(C)c1 ZINC000012939519 556153457 /nfs/dbraw/zinc/15/34/57/556153457.db2.gz WYAZGGVHULTKPW-FQEVSTJZSA-N -1 1 450.564 3.978 50 0 JHAAMM CC(=O)c1cccc(NC(=O)c2ccc(NC(=O)Cc3sc(N4CCCCC4)nc3[O-])cc2)c1 ZINC000013000568 556193263 /nfs/dbraw/zinc/19/32/63/556193263.db2.gz PIUGPMGOEPKRNN-NRFANRHFSA-N -1 1 478.574 3.954 50 0 JHAAMM Cc1cc(NC(=O)c2cccs2)n(-c2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[n-]2)n1 ZINC000017011733 556201364 /nfs/dbraw/zinc/20/13/64/556201364.db2.gz ODXNRWVFQZODSS-UHFFFAOYSA-N -1 1 451.899 3.982 50 0 JHAAMM Cc1ccccc1N1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc([C@H](C)O)cc3)cc2)CC1 ZINC000013070562 556268046 /nfs/dbraw/zinc/26/80/46/556268046.db2.gz JHYZORAAIODENT-FQEVSTJZSA-N -1 1 479.602 3.812 50 0 JHAAMM O=C(CCN1C(=O)COc2ccccc21)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000017988990 556274771 /nfs/dbraw/zinc/27/47/71/556274771.db2.gz YOFCRYWWKQMPEW-UHFFFAOYSA-N -1 1 461.499 3.511 50 0 JHAAMM O=C(c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)N1CCc2ccccc21 ZINC000013113406 556318267 /nfs/dbraw/zinc/31/82/67/556318267.db2.gz NEUNWFXHSPJNBU-UHFFFAOYSA-N -1 1 450.516 3.852 50 0 JHAAMM O=C(Cc1sc(N2CCCC2)nc1[O-])Nc1ccc(C(=O)NCCC2=CCCCC2)cc1 ZINC000013117437 556327124 /nfs/dbraw/zinc/32/71/24/556327124.db2.gz JOSBYPLOUTWVTD-HXUWFJFHSA-N -1 1 454.596 3.729 50 0 JHAAMM O=C(Cc1sc(N2CCCC2)nc1[O-])Nc1ccc(C(=O)NCCC2=CCCCC2)cc1 ZINC000013117436 556327192 /nfs/dbraw/zinc/32/71/92/556327192.db2.gz JOSBYPLOUTWVTD-FQEVSTJZSA-N -1 1 454.596 3.729 50 0 JHAAMM NC(=O)Nc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)c1 ZINC000029153268 556348138 /nfs/dbraw/zinc/34/81/38/556348138.db2.gz YFZSQDYXHGDVIE-UHFFFAOYSA-N -1 1 489.351 3.993 50 0 JHAAMM C[C@@H](CC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-])NC(=O)c1ccccc1 ZINC000029699461 556355523 /nfs/dbraw/zinc/35/55/23/556355523.db2.gz BMZBVJKFWMJPSA-HNNXBMFYSA-N -1 1 487.965 3.994 50 0 JHAAMM O=C(Cc1sc(N2CCCC2)nc1[O-])Nc1ccc(C(=O)NCCCC2CCCC2)cc1 ZINC000032764945 556488381 /nfs/dbraw/zinc/48/83/81/556488381.db2.gz RZVGOFBKZIQJAH-HXUWFJFHSA-N -1 1 456.612 3.809 50 0 JHAAMM O=C(CNC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1[O-])NCc1ccco1 ZINC000032914265 556538744 /nfs/dbraw/zinc/53/87/44/556538744.db2.gz MVWXVRFTRNFDEP-UHFFFAOYSA-N -1 1 462.289 3.591 50 0 JHAAMM CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)cc1 ZINC000032921785 556540981 /nfs/dbraw/zinc/54/09/81/556540981.db2.gz RQEPMTFOPHXKPM-UHFFFAOYSA-N -1 1 473.957 3.920 50 0 JHAAMM Cc1cccc(NC(=O)[C@H]([N-]S(=O)(=O)c2cccc3nsnc32)c2ccccc2)c1C ZINC000008596358 562944491 /nfs/dbraw/zinc/94/44/91/562944491.db2.gz KRIISLBDSWGVJR-HXUWFJFHSA-N -1 1 452.561 3.966 50 0 JHAAMM Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc3[n-]cc(C(=O)N4CCCCC4)c(=O)c3c2)c1 ZINC000006181322 569588575 /nfs/dbraw/zinc/58/85/75/569588575.db2.gz HPEFOUFEDNYNFJ-UHFFFAOYSA-N -1 1 453.564 3.596 50 0 JHAAMM CN1CCN(C(=O)c2oc3ccccc3c2CSc2nccc(=O)[n-]2)[C@@H](c2ccccc2)C1 ZINC000062580104 569611657 /nfs/dbraw/zinc/61/16/57/569611657.db2.gz PRACEWPLOZSHSH-HXUWFJFHSA-N -1 1 460.559 3.937 50 0 JHAAMM COc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4OC)CC3)cc2C(=O)[O-])cc1 ZINC000064590269 569621347 /nfs/dbraw/zinc/62/13/47/569621347.db2.gz QOTDSGSQNUDNLW-UHFFFAOYSA-N -1 1 475.545 3.977 50 0 JHAAMM COc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCC(CCN3CCOCC3)CC2)cc1 ZINC000064820682 569636106 /nfs/dbraw/zinc/63/61/06/569636106.db2.gz ZCUUJFZWSCJMBS-UHFFFAOYSA-N -1 1 467.566 3.584 50 0 JHAAMM O=S(=O)([N-]c1ccc(N2CCN(Cc3ccc(Cl)cc3)CC2)nc1)c1ccc(F)cc1 ZINC000034682150 569643792 /nfs/dbraw/zinc/64/37/92/569643792.db2.gz IXAVMHJTVMAFRJ-UHFFFAOYSA-N -1 1 460.962 3.997 50 0 JHAAMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(Cl)cc1)OCC(=O)N2Cc1noc(C2CC2)n1 ZINC000065022752 569649509 /nfs/dbraw/zinc/64/95/09/569649509.db2.gz XNELDEYAHVMRKD-UHFFFAOYSA-N -1 1 474.926 3.635 50 0 JHAAMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1)OCC(=O)N2Cc1noc(C2CC2)n1 ZINC000065022828 569649539 /nfs/dbraw/zinc/64/95/39/569649539.db2.gz TVMAZFCYRXEVDS-UHFFFAOYSA-N -1 1 492.916 3.774 50 0 JHAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ncccc3C(=O)NC[C@H]3CCCO3)c2)cc1 ZINC000065059685 569654852 /nfs/dbraw/zinc/65/48/52/569654852.db2.gz WQBTZFPZWKJJLB-HXUWFJFHSA-N -1 1 467.547 3.892 50 0 JHAAMM CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(F)cc2F)c1 ZINC000065116115 569666103 /nfs/dbraw/zinc/66/61/03/569666103.db2.gz SPKSFPCOLXDJAK-UHFFFAOYSA-N -1 1 451.451 3.950 50 0 JHAAMM Cc1cc(C(=O)COC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)c(C)n1C ZINC000035375467 569684578 /nfs/dbraw/zinc/68/45/78/569684578.db2.gz UUECSHORRGTDEB-UHFFFAOYSA-N -1 1 462.474 3.761 50 0 JHAAMM O=C(CSc1nc2c(c(=O)[n-]1)CN(Cc1ccc(F)cc1)CC2)NCCC1=CCCCC1 ZINC000067291505 569685610 /nfs/dbraw/zinc/68/56/10/569685610.db2.gz FCKOOBGNPIUYRO-UHFFFAOYSA-N -1 1 456.587 3.978 50 0 JHAAMM Cc1ccc(S(=O)(=O)[N-]c2cnc(N3CCC([NH+]4CCCCC4)CC3)c(C(=O)[O-])c2)cc1C ZINC000035397547 569688147 /nfs/dbraw/zinc/68/81/47/569688147.db2.gz RPFPGHOAIYUCEY-UHFFFAOYSA-N -1 1 472.611 3.652 50 0 JHAAMM Cc1cccc(S(=O)(=O)[N-]c2cnc(N3CCC(CC[NH+]4CCCCC4)CC3)c(C(=O)[O-])c2)c1 ZINC000035397817 569688395 /nfs/dbraw/zinc/68/83/95/569688395.db2.gz RYADKVBEKXWFOP-UHFFFAOYSA-N -1 1 486.638 3.981 50 0 JHAAMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cnc(N2CCC[C@H](C[NH+]3CCCC3)C2)c(C(=O)[O-])c1 ZINC000035397854 569688597 /nfs/dbraw/zinc/68/85/97/569688597.db2.gz XCCSQSKKLLNTQJ-QGZVFWFLSA-N -1 1 493.029 3.855 50 0 JHAAMM Cc1nnsc1C(=O)[N-]c1nnc(SCC(=O)N2CCC(Cc3ccccc3)CC2)s1 ZINC000070634940 569695336 /nfs/dbraw/zinc/69/53/36/569695336.db2.gz WWEPNKMFCUSWGA-UHFFFAOYSA-N -1 1 474.637 3.524 50 0 JHAAMM O=C(NCc1ccc(Cn2cccn2)cc1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000071853358 569698987 /nfs/dbraw/zinc/69/89/87/569698987.db2.gz NYELVOKSVYAYPJ-XMMPIXPASA-N -1 1 454.530 3.711 50 0 JHAAMM Cc1cc(N2CCOCC2)nc(Nc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2)n1 ZINC000095851178 569729084 /nfs/dbraw/zinc/72/90/84/569729084.db2.gz WJUQYVOEPHVBHS-UHFFFAOYSA-N -1 1 459.959 3.819 50 0 JHAAMM CC(=O)N(Cc1ccc(Br)cc1)c1nn2c([n-]1)nc(C)c(Cc1ccccc1)c2=O ZINC000101416352 569797388 /nfs/dbraw/zinc/79/73/88/569797388.db2.gz YLQMGXGFHFMHQA-UHFFFAOYSA-N -1 1 466.339 3.632 50 0 JHAAMM Cc1nc2[n-]c(N(Cc3ccc(F)cc3)C(=O)c3ccco3)nn2c(=O)c1Cc1ccccc1 ZINC000101861102 569806448 /nfs/dbraw/zinc/80/64/48/569806448.db2.gz DDYSGDMRIOJQSC-UHFFFAOYSA-N -1 1 457.465 3.896 50 0 JHAAMM CCOC(=O)C1=C(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)[N-]c2ccccc2N=C1CC ZINC000102306409 569812260 /nfs/dbraw/zinc/81/22/60/569812260.db2.gz YUJJWNZLCNBFRZ-UHFFFAOYSA-N -1 1 496.589 3.584 50 0 JHAAMM Cc1ccnc(NC(=O)C2CCN(C(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3)CC2)c1 ZINC000040150284 569819452 /nfs/dbraw/zinc/81/94/52/569819452.db2.gz BMDQZQSWNOZTIG-UHFFFAOYSA-N -1 1 478.574 3.682 50 0 JHAAMM O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)Nc2nc(SCc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000046075190 569843959 /nfs/dbraw/zinc/84/39/59/569843959.db2.gz MTAZUFFLBZGECL-HNNXBMFYSA-N -1 1 458.902 3.919 50 0 JHAAMM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]3ON2c2ccccc2)c(C(=O)[O-])c1OC ZINC000136328446 569864605 /nfs/dbraw/zinc/86/46/05/569864605.db2.gz XIPJFVLQFHAEMC-WMTXJRDZSA-N -1 1 488.496 3.762 50 0 JHAAMM CC(C)CCCN1C(=O)[N-]C(=O)[C@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@H]32)C1=O ZINC000230012599 570043573 /nfs/dbraw/zinc/04/35/73/570043573.db2.gz PMVUZFUMRLDTSC-WNCULLNHSA-N -1 1 460.578 3.643 50 0 biogenic JHAAMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000009930548 195024978 /nfs/dbraw/zinc/02/49/78/195024978.db2.gz ZLMSMJQBCFQGKK-UHFFFAOYSA-N -1 1 469.607 3.742 50 0 JHAAMM COc1ccccc1[C@@H](C)NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1 ZINC000009952540 195034570 /nfs/dbraw/zinc/03/45/70/195034570.db2.gz VJJIYISJLMYZQW-IIBYNOLFSA-N -1 1 480.590 3.609 50 0 JHAAMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)cc2)cc1 ZINC000012741178 195101090 /nfs/dbraw/zinc/10/10/90/195101090.db2.gz RSFJDXOBWRMTER-UHFFFAOYSA-N -1 1 465.531 3.641 50 0 JHAAMM CSc1nc(C)c(CCC(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)c(=O)[n-]1 ZINC000012789542 195130586 /nfs/dbraw/zinc/13/05/86/195130586.db2.gz QPGJIWMSYCJTSW-UHFFFAOYSA-N -1 1 461.544 3.593 50 0 JHAAMM Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000012852691 195155573 /nfs/dbraw/zinc/15/55/73/195155573.db2.gz FTWJLBMLSYGAJU-UHFFFAOYSA-N -1 1 455.511 3.646 50 0 JHAAMM CCOc1ccc(CN(C)C(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3[O-])cc2)cc1 ZINC000012871694 195163777 /nfs/dbraw/zinc/16/37/77/195163777.db2.gz HJGGWDVPMZFOOU-JOCHJYFZSA-N -1 1 494.617 3.780 50 0 JHAAMM Cc1nn2c(nc(CSc3ccccc3[N-]S(=O)(=O)c3ccc(C)cc3)cc2=O)s1 ZINC000020982885 195259455 /nfs/dbraw/zinc/25/94/55/195259455.db2.gz MTBNRVIIHVVASH-UHFFFAOYSA-N -1 1 458.590 3.861 50 0 JHAAMM CCCCN1C(=O)C[C@H](C(=O)OCc2cc(=O)oc3cc([O-])ccc23)[C@H]1c1ccc(OC)cc1 ZINC000021501995 195303431 /nfs/dbraw/zinc/30/34/31/195303431.db2.gz CREGNHKHFVWZDL-SQJMNOBHSA-N -1 1 465.502 3.940 50 0 JHAAMM CC(C)c1ccc(NC(=O)CSc2nc(-c3ccc4c(c3)OCO4)nc3cc(=O)[n-]n32)cc1 ZINC000021911345 195329428 /nfs/dbraw/zinc/32/94/28/195329428.db2.gz SINANDCEOVXMTC-UHFFFAOYSA-N -1 1 463.519 3.668 50 0 JHAAMM CCCCNC(=O)[C@@H]1CCCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000021662686 520659886 /nfs/dbraw/zinc/65/98/86/520659886.db2.gz BOBIIKHKFOZJIH-FQEVSTJZSA-N -1 1 463.987 3.662 50 0 JHAAMM CCOC(=O)Cc1csc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)n1 ZINC000006146130 520912655 /nfs/dbraw/zinc/91/26/55/520912655.db2.gz JTYJEMZGHACKOT-UHFFFAOYSA-N -1 1 481.502 3.580 50 0 JHAAMM CCOC(=O)[C@@H]1CCCN(c2ccc(NS(=O)(=O)c3cc(Cl)ccc3OC)cc2C(=O)[O-])C1 ZINC000033253396 521121287 /nfs/dbraw/zinc/12/12/87/521121287.db2.gz OFQBCGXSUSHAQO-CQSZACIVSA-N -1 1 496.969 3.627 50 0 JHAAMM CCN(c1ccccc1)S(=O)(=O)c1ccc2[n-]cc(C(=O)NC3CCCCC3)c(=O)c2c1 ZINC000004654434 521499927 /nfs/dbraw/zinc/49/99/27/521499927.db2.gz NOQGWMQQRDJJEK-UHFFFAOYSA-N -1 1 453.564 3.806 50 0 JHAAMM COCCCNC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3cccc(OC)c3)cc2)nc1 ZINC000033138613 523367636 /nfs/dbraw/zinc/36/76/36/523367636.db2.gz OWIJQLZOYWWBHH-UHFFFAOYSA-N -1 1 487.603 3.809 50 0 JHAAMM CC[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000021662343 523988482 /nfs/dbraw/zinc/98/84/82/523988482.db2.gz QNLSVVNEXVUGQP-RXVVDRJESA-N -1 1 457.596 3.624 50 0 JHAAMM CC[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000021662350 523988986 /nfs/dbraw/zinc/98/89/86/523988986.db2.gz ONTJYZGODBQALP-UUOWRZLLSA-N -1 1 483.634 3.886 50 0 JHAAMM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](CC(=O)N2CCCC2)CS3)cc1 ZINC000033290337 523995806 /nfs/dbraw/zinc/99/58/06/523995806.db2.gz WCBIMFIQTBTURM-QGZVFWFLSA-N -1 1 473.620 3.723 50 0 JHAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@H]3C(=O)NC3CCCC3)c2)c1 ZINC000021662427 524195103 /nfs/dbraw/zinc/19/51/03/524195103.db2.gz ZAVRLBWFHKZKRF-QFIPXVFZSA-N -1 1 469.607 3.768 50 0 JHAAMM COc1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CN(Cc2ccc(F)cc2)CC3)cc1 ZINC000020467782 524507132 /nfs/dbraw/zinc/50/71/32/524507132.db2.gz TVMQIVMHJBWFMR-UHFFFAOYSA-N -1 1 454.527 3.619 50 0 JHAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3Cc2noc(C3CCC3)n2)cc1Cl ZINC000064946966 524694902 /nfs/dbraw/zinc/69/49/02/524694902.db2.gz QMBGKVLLZQDLMG-UHFFFAOYSA-N -1 1 490.925 3.756 50 0 JHAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCC(=O)N[C@@H](C)c3ccc(F)cc3)c2)cc1 ZINC000009378531 524698903 /nfs/dbraw/zinc/69/89/03/524698903.db2.gz AFEMDHDWORJJJR-INIZCTEOSA-N -1 1 486.521 3.669 50 0 JHAAMM Cc1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CN(Cc2ccc4c(c2)OCO4)CC3)cc1C ZINC000021810248 525079023 /nfs/dbraw/zinc/07/90/23/525079023.db2.gz KGNHOZOYPZVRKO-UHFFFAOYSA-N -1 1 478.574 3.817 50 0 JHAAMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCC[C@@H]2C(=O)NC2CCCCC2)c1 ZINC000021662673 525334468 /nfs/dbraw/zinc/33/44/68/525334468.db2.gz GQHOQSPZZSLQRE-JOCHJYFZSA-N -1 1 469.607 3.849 50 0 JHAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@@H]3C(=O)NC3CCCCC3)c2)cc1 ZINC000033272299 525612981 /nfs/dbraw/zinc/61/29/81/525612981.db2.gz CDLMJYDRRCDWAO-HSZRJFAPSA-N -1 1 469.607 3.849 50 0 JHAAMM O=C(OCc1nc2ccccc2o1)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000014705645 526431773 /nfs/dbraw/zinc/43/17/73/526431773.db2.gz GHPHWBPNSYSEGF-UHFFFAOYSA-N -1 1 466.471 3.757 50 0 JHAAMM O=C(NCc1cccc(C(F)(F)F)c1)c1cnc(N2CCN(c3ccccc3Cl)CC2)[n-]c1=O ZINC000036314103 526711872 /nfs/dbraw/zinc/71/18/72/526711872.db2.gz ZGFCUWDHTBDHKT-UHFFFAOYSA-N -1 1 491.901 3.699 50 0 JHAAMM O=C(C[C@H]1CSc2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc2NC1=O)N1CCCC1 ZINC000033290388 527179058 /nfs/dbraw/zinc/17/90/58/527179058.db2.gz WEDCHUPINAWRFR-ZDUSSCGKSA-N -1 1 498.001 3.953 50 0 JHAAMM O=S(=O)([N-]c1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1ccc(C(F)(F)F)cc1 ZINC000016838826 527252337 /nfs/dbraw/zinc/25/23/37/527252337.db2.gz ZNJMYJQQGVIMGR-UHFFFAOYSA-N -1 1 464.469 3.800 50 0 JHAAMM Cc1ccc(C)c(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)c1 ZINC000000916122 553846393 /nfs/dbraw/zinc/84/63/93/553846393.db2.gz UHNHFXPIJWNDEL-UHFFFAOYSA-N -1 1 474.560 3.676 50 0 JHAAMM CC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000002653223 554269148 /nfs/dbraw/zinc/26/91/48/554269148.db2.gz IPEMAXLSDPEWGD-UHFFFAOYSA-N -1 1 466.515 3.794 50 0 JHAAMM Cc1cccc(N(C)S(=O)(=O)c2ccc3[n-]cc(C(=O)N(C)Cc4ccccc4)c(=O)c3c2)c1 ZINC000006296696 554528118 /nfs/dbraw/zinc/52/81/18/554528118.db2.gz TVHYHQXBWZVJOC-UHFFFAOYSA-N -1 1 475.570 3.934 50 0 JHAAMM Cc1ccc(C(=O)OCC(=O)N[C@H]2CCCC[C@H]2C)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000008928477 554825935 /nfs/dbraw/zinc/82/59/35/554825935.db2.gz MZPMZQZTOKUNAX-QRWLVFNGSA-N -1 1 462.543 3.787 50 0 JHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)nc(CSc2nccc(C)n2)n3C)cc1 ZINC000008991396 554852623 /nfs/dbraw/zinc/85/26/23/554852623.db2.gz LUUSLFIHEIHJOL-UHFFFAOYSA-N -1 1 455.565 3.773 50 0 JHAAMM Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000009134651 554931937 /nfs/dbraw/zinc/93/19/37/554931937.db2.gz NACGGMAUDGUNHG-UHFFFAOYSA-N -1 1 453.882 3.802 50 0 JHAAMM CCCN1c2ccc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3C)cc2OCC(C)(C)C1=O ZINC000009167780 554952051 /nfs/dbraw/zinc/95/20/51/554952051.db2.gz CQTNQVSRTLUWBV-UHFFFAOYSA-N -1 1 459.568 3.916 50 0 JHAAMM Cc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)c2)c(O)c1 ZINC000009338392 555106659 /nfs/dbraw/zinc/10/66/59/555106659.db2.gz BFEBHUXRWFPKFH-UHFFFAOYSA-N -1 1 454.504 3.915 50 0 JHAAMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(I)cc2)c1)c1ccccn1 ZINC000009349163 555115778 /nfs/dbraw/zinc/11/57/78/555115778.db2.gz PPEJDLQJMOJFHT-UHFFFAOYSA-N -1 1 479.299 3.739 50 0 JHAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCC(=O)N[C@H](C)c3ccc(F)cc3)c2)cc1 ZINC000009378532 555140002 /nfs/dbraw/zinc/14/00/02/555140002.db2.gz AFEMDHDWORJJJR-MRXNPFEDSA-N -1 1 486.521 3.669 50 0 JHAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)c1cc2c(c(Cl)c1)OCO2 ZINC000009461438 555229083 /nfs/dbraw/zinc/22/90/83/555229083.db2.gz APTJVXACINNGNM-UHFFFAOYSA-N -1 1 488.905 3.893 50 0 JHAAMM CCOc1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2cccc(Cl)c2)cc1 ZINC000009490639 555266272 /nfs/dbraw/zinc/26/62/72/555266272.db2.gz RWSCXEFCXVBWFG-UHFFFAOYSA-N -1 1 455.927 3.892 50 0 JHAAMM Nc1nc(SCC(=O)Nc2cccc3ccccc32)[n-]c(=O)c1NC(=O)c1ccc(F)cc1 ZINC000009518047 555312013 /nfs/dbraw/zinc/31/20/13/555312013.db2.gz VEYYQGASOBOCQM-UHFFFAOYSA-N -1 1 463.494 3.628 50 0 JHAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CC3CCCC3)ccc2N2CCOCC2)cc1 ZINC000009539466 555330897 /nfs/dbraw/zinc/33/08/97/555330897.db2.gz KELQIMQEZASCIC-UHFFFAOYSA-N -1 1 473.595 3.851 50 0 JHAAMM O=c1cc2nc(-c3ccccc3Cl)nc(SCc3cc(=O)n4c5c(sc4n3)CCCC5)n2[n-]1 ZINC000009640749 555350972 /nfs/dbraw/zinc/35/09/72/555350972.db2.gz KXZYDWTZUHTJOG-UHFFFAOYSA-N -1 1 497.005 3.979 50 0 JHAAMM COc1ccc(-c2nc3cc(=O)[n-]n3c(SCC(=O)Nc3cccc(Cl)c3C)n2)cc1 ZINC000009641657 555352421 /nfs/dbraw/zinc/35/24/21/555352421.db2.gz HMWFTWZBGJOINM-UHFFFAOYSA-N -1 1 455.927 3.786 50 0 JHAAMM CCS(=O)(=O)c1ccc(-c2ccc([N-]S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)cc2)nn1 ZINC000009650619 555362338 /nfs/dbraw/zinc/36/23/38/555362338.db2.gz FIHHIHCFOPYIPR-UHFFFAOYSA-N -1 1 489.472 3.896 50 0 JHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3noc(CNC(=O)c4cccs4)n3)cc2)cc1 ZINC000013346519 555376985 /nfs/dbraw/zinc/37/69/85/555376985.db2.gz CFLNLPVDXUSWAM-UHFFFAOYSA-N -1 1 454.533 3.837 50 0 JHAAMM O=C(NC1CCCC1)C1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000013352742 555381252 /nfs/dbraw/zinc/38/12/52/555381252.db2.gz 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CCCNC(=O)[C@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)C1 ZINC000021707130 519895397 /nfs/dbraw/zinc/89/53/97/519895397.db2.gz KOCKXISRHWQBLV-KRWDZBQOSA-N -1 1 463.987 3.519 50 0 JHAAMM CCN(CC(=O)NCc1cccs1)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000012521313 520341470 /nfs/dbraw/zinc/34/14/70/520341470.db2.gz MAGAMGVMZKDZBN-UHFFFAOYSA-N -1 1 485.631 3.944 50 0 JHAAMM CCOc1ccc([N-]S(=O)(=O)c2cc(-c3nc(C)cs3)n(CC(=O)N3CCCC3)c2)cc1 ZINC000033307541 521130317 /nfs/dbraw/zinc/13/03/17/521130317.db2.gz YJWAQEKZOVQQQO-UHFFFAOYSA-N -1 1 474.608 3.742 50 0 JHAAMM COC(=O)c1c2c(sc1S(=O)(=O)[N-]C1CCCCC1)CN(C(=O)c1cc(F)cc(F)c1)CC2 ZINC000012449965 521789213 /nfs/dbraw/zinc/78/92/13/521789213.db2.gz QPAZAFLQVLKSMQ-UHFFFAOYSA-N -1 1 498.573 3.622 50 0 JHAAMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(-c3ccccc3C)nn2Cc2ccccc2)o1 ZINC000048341475 522281422 /nfs/dbraw/zinc/28/14/22/522281422.db2.gz DIFRDTKZDQVTGH-UHFFFAOYSA-N -1 1 450.520 3.660 50 0 JHAAMM CCn1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(OC)c(OC)c3)c2)c2c(c1=O)CCCC2 ZINC000046027601 523605956 /nfs/dbraw/zinc/60/59/56/523605956.db2.gz KNHULSDDUGBDNH-UHFFFAOYSA-N -1 1 483.590 3.935 50 0 JHAAMM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3Cc2noc(C3CCC3)n2)c1C ZINC000064946947 524692572 /nfs/dbraw/zinc/69/25/72/524692572.db2.gz LWNRBMGLPGWTJP-UHFFFAOYSA-N -1 1 454.508 3.711 50 0 JHAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1S(=O)(=O)N1CCCCC1 ZINC000016154212 524696711 /nfs/dbraw/zinc/69/67/11/524696711.db2.gz YCUVPEGFVPAOSV-UHFFFAOYSA-N -1 1 464.609 3.549 50 0 JHAAMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2Cc1noc(C2CCC2)n1 ZINC000064946970 524998730 /nfs/dbraw/zinc/99/87/30/524998730.db2.gz SAKCLKZXMWLZLR-UHFFFAOYSA-N -1 1 458.471 3.542 50 0 JHAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000033254022 525593615 /nfs/dbraw/zinc/59/36/15/525593615.db2.gz PRDDDQGGYOXXNE-UHFFFAOYSA-N -1 1 457.596 3.949 50 0 JHAAMM Cc1csc(-c2cc(S(=O)(=O)[N-]c3ccc(F)cc3C)cn2CC(=O)N2CCCC2)n1 ZINC000033307573 526300361 /nfs/dbraw/zinc/30/03/61/526300361.db2.gz LERKBJHIZCSHIL-UHFFFAOYSA-N -1 1 462.572 3.791 50 0 JHAAMM O=C(CSc1nnc(-c2nn(Cc3ccccc3)c(=O)c3ccccc32)o1)c1ccc([O-])cc1O ZINC000008803447 554687485 /nfs/dbraw/zinc/68/74/85/554687485.db2.gz VIEOSSRCNVFQAR-UHFFFAOYSA-N -1 1 486.509 3.881 50 0 JHAAMM C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CSC(=S)NCC(=O)[O-] ZINC000009033230 554867619 /nfs/dbraw/zinc/86/76/19/554867619.db2.gz WJZAIXAIFJQAJF-HSGHKLBJSA-N -1 1 479.664 3.511 50 0 biogenic JHAAMM CCCCCN(C(=O)[N-]C(=O)Oc1ccc2oc(C)c(C(=O)OCC)c2c1)S(C)(=O)=O ZINC000009086791 554888964 /nfs/dbraw/zinc/88/89/64/554888964.db2.gz SCRHUJRMDDGFGS-UHFFFAOYSA-N -1 1 454.501 3.578 50 0 JHAAMM Cc1cc([N-]S(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)cc2)c2ccccc2n1 ZINC000009153171 554941967 /nfs/dbraw/zinc/94/19/67/554941967.db2.gz XKNSSJZJAVENPO-UHFFFAOYSA-N -1 1 458.499 3.535 50 0 JHAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OCC(=O)N[C@@H](C)c3cccs3)cc2)cc1 ZINC000009217321 554986047 /nfs/dbraw/zinc/98/60/47/554986047.db2.gz BJWUKBMOARNKNI-INIZCTEOSA-N -1 1 488.587 3.982 50 0 JHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)cc2)cc1 ZINC000009335489 555102888 /nfs/dbraw/zinc/10/28/88/555102888.db2.gz HUYDKRHTYVGJDW-UHFFFAOYSA-N -1 1 499.614 3.833 50 0 JHAAMM O=C(COC(=O)c1cc(Br)cc(Br)c1[O-])Nc1cc(F)ccc1F ZINC000009402820 555160757 /nfs/dbraw/zinc/16/07/57/555160757.db2.gz CUOZVZJHGZXWFD-UHFFFAOYSA-N -1 1 465.044 3.991 50 0 JHAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)Cc3cnn(-c4ccccc4)c3)c2)cc1 ZINC000009468016 555246530 /nfs/dbraw/zinc/24/65/30/555246530.db2.gz FRQMULFDEYWPSI-UHFFFAOYSA-N -1 1 476.558 3.954 50 0 JHAAMM Cc1ccccc1NC(=O)CSc1nc(N)c(NC(=O)c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000009518215 555312546 /nfs/dbraw/zinc/31/25/46/555312546.db2.gz FCMCNDTXWRZJMY-UHFFFAOYSA-N -1 1 477.468 3.662 50 0 JHAAMM CCc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N(CC)CC)ccc2N2CCCC2)cc1 ZINC000013149994 555354565 /nfs/dbraw/zinc/35/45/65/555354565.db2.gz BFKYVPRAGHHEJF-UHFFFAOYSA-N -1 1 465.641 3.681 50 0 JHAAMM CCS(=O)(=O)c1ccc(-c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)nn1 ZINC000009650623 555362303 /nfs/dbraw/zinc/36/23/03/555362303.db2.gz SONVIERZBFIUJC-UHFFFAOYSA-N -1 1 482.381 3.501 50 0 JHAAMM O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000009670144 555386295 /nfs/dbraw/zinc/38/62/95/555386295.db2.gz SZBRISGACWBLMC-UHFFFAOYSA-N -1 1 484.484 3.573 50 0 JHAAMM CCCCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCN(C(C)=O)CC3)c2)cc1 ZINC000009672352 555394217 /nfs/dbraw/zinc/39/42/17/555394217.db2.gz BUCNKBRIYQPLKU-UHFFFAOYSA-N -1 1 478.014 3.788 50 0 JHAAMM O=C(Cc1sc(N2CCCCC2)nc1[O-])Nc1cccc(C(=O)NCc2ccc(F)cc2)c1 ZINC000009684909 555413629 /nfs/dbraw/zinc/41/36/29/555413629.db2.gz BQLIXICXGGXCBK-HXUWFJFHSA-N -1 1 468.554 3.568 50 0 JHAAMM Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)[N-]c2ccc(Br)cc2F)c(C)n1C ZINC000009685015 555413944 /nfs/dbraw/zinc/41/39/44/555413944.db2.gz GXRGWJBPTUPWOG-UHFFFAOYSA-N -1 1 472.380 3.970 50 0 JHAAMM O=C(Nc1nnc(-c2ccc3c(c2)OCCO3)o1)c1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000009714810 555445019 /nfs/dbraw/zinc/44/50/19/555445019.db2.gz FRXJBCDEEFUIMQ-UHFFFAOYSA-N -1 1 496.476 3.700 50 0 JHAAMM CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)sc2c1 ZINC000009714896 555445622 /nfs/dbraw/zinc/44/56/22/555445622.db2.gz SGFZVRDBDSTYEA-UHFFFAOYSA-N -1 1 487.584 3.753 50 0 JHAAMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)O[C@@H](C)C(=O)N(C)C3CCCCC3)cc2)cc1 ZINC000009613471 555449246 /nfs/dbraw/zinc/44/92/46/555449246.db2.gz QJAADDCGVVUXBB-KRWDZBQOSA-N -1 1 474.579 3.832 50 0 JHAAMM COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)CCNC(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000009725407 555458559 /nfs/dbraw/zinc/45/85/59/555458559.db2.gz QKBRTADKSLXXBK-UHFFFAOYSA-N -1 1 487.965 3.908 50 0 JHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(F)cc3F)cc2)cc1 ZINC000009739453 555471175 /nfs/dbraw/zinc/47/11/75/555471175.db2.gz RKZQAMNMLXLZLH-UHFFFAOYSA-N -1 1 460.458 3.870 50 0 JHAAMM O=S(=O)([N-]C[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1cc(F)ccc1F ZINC000009742284 555473965 /nfs/dbraw/zinc/47/39/65/555473965.db2.gz ZAZNUNPFHKNIGE-SFHVURJKSA-N -1 1 461.508 3.659 50 0 JHAAMM O=C(Cc1sc(N2CCCC2)nc1[O-])Nc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000009792723 555511036 /nfs/dbraw/zinc/51/10/36/555511036.db2.gz XRIJNYOZMPBTNK-JOCHJYFZSA-N -1 1 489.601 3.563 50 0 JHAAMM CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(Br)c(Cl)c1[O-] ZINC000013896707 555643993 /nfs/dbraw/zinc/64/39/93/555643993.db2.gz ACUXPGYLFDWKKR-JYRVWZFOSA-N -1 1 451.729 3.977 50 0 JHAAMM O=C(Cc1sc(N2CCCCC2)nc1[O-])Nc1cccc(C(=O)N[C@H]2CCc3ccccc32)c1 ZINC000014014110 555670643 /nfs/dbraw/zinc/67/06/43/555670643.db2.gz DSVNFXZNGBKSLI-VXKWHMMOSA-N -1 1 476.602 3.916 50 0 JHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1OC ZINC000014186165 555727176 /nfs/dbraw/zinc/72/71/76/555727176.db2.gz URIUQJHTQCEVBW-UHFFFAOYSA-N -1 1 476.576 3.922 50 0 JHAAMM COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)cc1 ZINC000010586326 555728067 /nfs/dbraw/zinc/72/80/67/555728067.db2.gz XQPJYPUYQQNXSF-UHFFFAOYSA-N -1 1 495.509 3.689 50 0 JHAAMM CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000010901250 555746045 /nfs/dbraw/zinc/74/60/45/555746045.db2.gz SJIWEKJQEDPFOL-UHFFFAOYSA-N -1 1 465.575 3.596 50 0 JHAAMM COc1cc(C(=O)Nc2cc(-c3cccs3)nn2-c2nc(C)cc(=O)[n-]2)cc(OC)c1OC ZINC000011854382 555836408 /nfs/dbraw/zinc/83/64/08/555836408.db2.gz OAXIHYFOWAECBN-UHFFFAOYSA-N -1 1 467.507 3.683 50 0 JHAAMM Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(Br)o2)[n-]c(=O)c1C ZINC000011854987 555836625 /nfs/dbraw/zinc/83/66/25/555836625.db2.gz TYDLOUWSMDJUGE-UHFFFAOYSA-N -1 1 460.313 3.909 50 0 JHAAMM Cc1ccc(N2C[C@H](C(=O)Nc3cc(-c4cccs4)nn3-c3nc(C)c(C)c(=O)[n-]3)CC2=O)cc1 ZINC000011854998 555836629 /nfs/dbraw/zinc/83/66/29/555836629.db2.gz ICYUEQNVWIUPGF-QGZVFWFLSA-N -1 1 488.573 3.601 50 0 JHAAMM Cc1ccccc1OCCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000021964169 555858244 /nfs/dbraw/zinc/85/82/44/555858244.db2.gz MADDEEOTHQAMKI-UHFFFAOYSA-N -1 1 482.558 3.718 50 0 JHAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](CN3CCOCC3)c3ccccc3)c2)cc1 ZINC000022201136 555884641 /nfs/dbraw/zinc/88/46/41/555884641.db2.gz JOCABHFNPNWXLO-RUZDIDTESA-N -1 1 479.602 3.599 50 0 JHAAMM Nc1nc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)[n-]c(=O)c1NC(=O)c1ccc(F)c(F)c1 ZINC000012033476 555887607 /nfs/dbraw/zinc/88/76/07/555887607.db2.gz AZZPHQSOVZAQQH-UHFFFAOYSA-N -1 1 499.421 3.632 50 0 JHAAMM C/C=C(\C)C(=O)N1CCc2c(sc(S(=O)(=O)[N-]Cc3ccccc3Cl)c2C(=O)OC)C1 ZINC000012099546 555907152 /nfs/dbraw/zinc/90/71/52/555907152.db2.gz KQNFXVPVVHWFKW-YIXHJXPBSA-N -1 1 483.011 3.518 50 0 JHAAMM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[n-]1)CCC2 ZINC000012129643 555911355 /nfs/dbraw/zinc/91/13/55/555911355.db2.gz IQXBCNWVEFGCRC-UHFFFAOYSA-N -1 1 453.930 3.771 50 0 JHAAMM COc1ccc(NC(=O)CSc2nc(-c3ccccc3C)nc3cc(=O)[n-]n32)cc1Cl ZINC000015732603 555976608 /nfs/dbraw/zinc/97/66/08/555976608.db2.gz MVOXOAKTWQPHHP-UHFFFAOYSA-N -1 1 455.927 3.786 50 0 JHAAMM O=C(CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)[N-]C(=O)c1ccccc1 ZINC000012533997 556006172 /nfs/dbraw/zinc/00/61/72/556006172.db2.gz NRZAIPUQDPAEMC-UHFFFAOYSA-N -1 1 458.499 3.712 50 0 JHAAMM CCS(=O)(=O)c1ccc(NC(=O)CCc2c(C)nc(SCc3ccccc3)[n-]c2=O)cc1 ZINC000023113868 556011338 /nfs/dbraw/zinc/01/13/38/556011338.db2.gz JBTYOELXKSDRLC-UHFFFAOYSA-N -1 1 471.604 3.736 50 0 JHAAMM COc1ccc(-c2nc3sc(CC[N-]S(=O)(=O)c4cc(F)ccc4F)c(C)n3n2)cc1 ZINC000015823524 556012034 /nfs/dbraw/zinc/01/20/34/556012034.db2.gz LBUHAZVARRLBGR-UHFFFAOYSA-N -1 1 464.519 3.574 50 0 JHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3ccc4c(c3)OCCO4)cc2)cc1C ZINC000012552541 556035692 /nfs/dbraw/zinc/03/56/92/556035692.db2.gz RHJDFLJKTXUSPN-UHFFFAOYSA-N -1 1 452.532 3.805 50 0 JHAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1C ZINC000012557187 556044524 /nfs/dbraw/zinc/04/45/24/556044524.db2.gz IAIBDKRNLDINSQ-UHFFFAOYSA-N -1 1 473.595 3.797 50 0 JHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC4CCCCC4)CC3)cc2)cc1OC ZINC000015869593 556048981 /nfs/dbraw/zinc/04/89/81/556048981.db2.gz PKGSQMAXSSUYHU-UHFFFAOYSA-N -1 1 458.580 3.985 50 0 JHAAMM Cc1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)N2CCOCC2)o1 ZINC000023957263 556106521 /nfs/dbraw/zinc/10/65/21/556106521.db2.gz IVGAAYCONOMCDL-XMMPIXPASA-N -1 1 497.617 3.809 50 0 JHAAMM NC(=O)Cc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)cc1 ZINC000024484732 556132145 /nfs/dbraw/zinc/13/21/45/556132145.db2.gz TXKBHHSCFAUANN-UHFFFAOYSA-N -1 1 488.363 3.530 50 0 JHAAMM CN(Cc1ccccc1F)C(=O)c1cccc(NC(=O)Cc2sc(N3CCCCC3)nc2[O-])c1 ZINC000025584294 556226447 /nfs/dbraw/zinc/22/64/47/556226447.db2.gz ZQSHCLHMMPIUJX-NRFANRHFSA-N -1 1 482.581 3.910 50 0 JHAAMM CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(Cl)cc3)[n-]c2=O)cc1 ZINC000017308150 556256003 /nfs/dbraw/zinc/25/60/03/556256003.db2.gz BRIKJJQPNDUUTH-UHFFFAOYSA-N -1 1 479.967 3.798 50 0 JHAAMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000017357969 556259673 /nfs/dbraw/zinc/25/96/73/556259673.db2.gz YWLMUQWSMFUBMH-UHFFFAOYSA-N -1 1 453.539 3.585 50 0 JHAAMM CC(C)Cn1c(=O)cc([O-])nc1SCC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000013069610 556266477 /nfs/dbraw/zinc/26/64/77/556266477.db2.gz RQYAKTMTYZYSIJ-UHFFFAOYSA-N -1 1 451.592 3.969 50 0 JHAAMM C[C@@H]1Cc2ccccc2N1C(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000030012851 556362645 /nfs/dbraw/zinc/36/26/45/556362645.db2.gz PUIJVIMOJIYEFY-MRXNPFEDSA-N -1 1 450.516 3.850 50 0 JHAAMM Cc1ccc(CNC(=O)c2ccc(NC(=O)Cc3sc(N4CCCCC4)nc3[O-])cc2)cc1 ZINC000013134339 556362744 /nfs/dbraw/zinc/36/27/44/556362744.db2.gz SPGJPYACLXVUPH-OAQYLSRUSA-N -1 1 464.591 3.738 50 0 JHAAMM CCc1ccc(NC(=O)[C@@H]([N-]S(=O)(=O)c2cccc3nsnc32)c2ccccc2)cc1 ZINC000008596388 562944487 /nfs/dbraw/zinc/94/44/87/562944487.db2.gz OVNDTAVBNIEGOK-FQEVSTJZSA-N -1 1 452.561 3.912 50 0 JHAAMM CCCCN(C)C(=O)c1c[n-]c2ccc(S(=O)(=O)N(C)c3ccccc3CC)cc2c1=O ZINC000006296651 569588980 /nfs/dbraw/zinc/58/89/80/569588980.db2.gz XAHFTJJSMJFAQZ-UHFFFAOYSA-N -1 1 455.580 3.788 50 0 JHAAMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc2C)c1 ZINC000032975616 569606152 /nfs/dbraw/zinc/60/61/52/569606152.db2.gz RVSURXHPDUNTQN-SFTDATJTSA-N -1 1 484.574 3.648 50 0 JHAAMM CCCn1nc(C)cc1CN(C)c1ncc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(OCC)cc1 ZINC000064844266 569638268 /nfs/dbraw/zinc/63/82/68/569638268.db2.gz MNLLXSDSOLYWJH-UHFFFAOYSA-N -1 1 487.582 3.531 50 0 JHAAMM O=C(c1nc(-c2csc(S(=O)(=O)[N-]c3ccc(F)cc3Cl)c2)no1)N1CCCC1 ZINC000065097458 569661173 /nfs/dbraw/zinc/66/11/73/569661173.db2.gz GZSDPEQIRFIUNA-UHFFFAOYSA-N -1 1 456.908 3.627 50 0 JHAAMM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCCCCC4)n3)ccc2C)cc1 ZINC000065319124 569673686 /nfs/dbraw/zinc/67/36/86/569673686.db2.gz OGUMJFIKPTZRTE-UHFFFAOYSA-N -1 1 498.561 3.649 50 0 JHAAMM COc1cccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)n(-c4c(C)noc4C)n3)ccc2C)c1 ZINC000085651966 569713648 /nfs/dbraw/zinc/71/36/48/569713648.db2.gz CDDZOUPAAMKSMJ-UHFFFAOYSA-N -1 1 466.519 3.622 50 0 JHAAMM COc1cc([N-]S(=O)(=O)c2cc(-c3ccc(=O)n(-c4c(C)noc4C)n3)ccc2C)cc(OC)c1 ZINC000085651980 569713753 /nfs/dbraw/zinc/71/37/53/569713753.db2.gz PMKOGRMBECIYFI-UHFFFAOYSA-N -1 1 496.545 3.631 50 0 JHAAMM COC(=O)COc1ccccc1[C@@H]1CC(=O)Oc2cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc3c21 ZINC000096114467 569733449 /nfs/dbraw/zinc/73/34/49/569733449.db2.gz DBRYXBBNZJPTKV-KRWDZBQOSA-N -1 1 488.448 3.864 50 0 biogenic JHAAMM COC(=O)COc1ccccc1[C@@H]1CC(=O)Oc2cc(=O)c3c([O-])c(-c4ccc(O)cc4)coc-3c21 ZINC000096114467 569733451 /nfs/dbraw/zinc/73/34/51/569733451.db2.gz DBRYXBBNZJPTKV-KRWDZBQOSA-N -1 1 488.448 3.864 50 0 biogenic JHAAMM Cn1c2ccc([C@@H]3CC(=O)Oc4cc([O-])c5c(=O)c(-c6ccc(O)cc6)coc5c43)cc2n(C)c1=O ZINC000096115006 569733976 /nfs/dbraw/zinc/73/39/76/569733976.db2.gz SVMSHZXJBIVORK-INIZCTEOSA-N -1 1 484.464 3.503 50 0 biogenic JHAAMM Cn1c2ccc([C@@H]3CC(=O)Oc4cc(=O)c5c([O-])c(-c6ccc(O)cc6)coc-5c43)cc2n(C)c1=O ZINC000096115006 569733977 /nfs/dbraw/zinc/73/39/77/569733977.db2.gz SVMSHZXJBIVORK-INIZCTEOSA-N -1 1 484.464 3.503 50 0 biogenic JHAAMM CC(=O)c1ccc(N2CCN([C@@H](C(=O)[O-])c3c[nH]c4ccc(NC(=O)C(C)C)cc43)CC2)cc1 ZINC000036354130 569771617 /nfs/dbraw/zinc/77/16/17/569771617.db2.gz UWMXICCJIGJKLL-XMMPIXPASA-N -1 1 462.550 3.913 50 0 JHAAMM COc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(SCc3ccccc3Cl)[n-]c(=O)c21 ZINC000046075068 569843715 /nfs/dbraw/zinc/84/37/15/569843715.db2.gz RQRSGGLMMMSUQP-ZDUSSCGKSA-N -1 1 470.938 3.789 50 0 JHAAMM CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[n-]c(=O)c32)cc1 ZINC000046075395 569844245 /nfs/dbraw/zinc/84/42/45/569844245.db2.gz KNVKRIXMYVLWRI-QGZVFWFLSA-N -1 1 452.511 3.828 50 0 JHAAMM O=C(Nc1ccccc1Cl)[C@H]1CC(=O)Nc2nc(SCc3ccc(F)cc3)[n-]c(=O)c21 ZINC000046075370 569844281 /nfs/dbraw/zinc/84/42/81/569844281.db2.gz NUSXJCRGBZBECL-ZDUSSCGKSA-N -1 1 458.902 3.919 50 0 JHAAMM Cc1ccccc1CSc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1cc(F)ccc1C)CC(=O)N2 ZINC000046075717 569844498 /nfs/dbraw/zinc/84/44/98/569844498.db2.gz BMUYYNVMTVFUDR-INIZCTEOSA-N -1 1 452.511 3.883 50 0 JHAAMM Cc1ccccc1CSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1cc(F)ccc1F)CC(=O)N2 ZINC000046075799 569844507 /nfs/dbraw/zinc/84/45/07/569844507.db2.gz POOLLAYFZVLXEH-CQSZACIVSA-N -1 1 456.474 3.713 50 0 JHAAMM CC(C)OCCCNC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421223 569846860 /nfs/dbraw/zinc/84/68/60/569846860.db2.gz JQZBIYOAZQRIPP-SFHVURJKSA-N -1 1 454.596 3.799 50 0 JHAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@@H](C(=O)NCCc4ccccn4)C2)nc3=O)cc1 ZINC000049421319 569847275 /nfs/dbraw/zinc/84/72/75/569847275.db2.gz DZBCSVQJYJSBQY-LJQANCHMSA-N -1 1 473.602 3.930 50 0 JHAAMM Cc1ccc2nc3c(cc2c1)C[C@]1(C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O)[C@@H]1C[C@@H](C)CCN31 ZINC000227077868 570039919 /nfs/dbraw/zinc/03/99/19/570039919.db2.gz IKPNHQIOFCEZNE-ULNHTAIJSA-N -1 1 468.557 3.969 50 0 JHAAMM COC(=O)COc1ccc([C@H]([N-]S(=O)(=O)c2ccccc2)C(Cl)(Cl)Cl)cc1C ZINC000000853672 193928295 /nfs/dbraw/zinc/92/82/95/193928295.db2.gz RWDCJILUODFFSB-KRWDZBQOSA-N -1 1 466.770 3.937 50 0 JHAAMM O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000001060260 194012386 /nfs/dbraw/zinc/01/23/86/194012386.db2.gz GHOIFJWGGVBJPC-UHFFFAOYSA-N -1 1 499.614 3.914 50 0 JHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1OC ZINC000001133696 194040741 /nfs/dbraw/zinc/04/07/41/194040741.db2.gz BBCCLDKNSONTJN-UHFFFAOYSA-N -1 1 482.967 3.959 50 0 JHAAMM CCOC(=O)[C@]([N-]c1ccc(C(C)=O)cc1)(NC(=O)c1ccccc1OCC)C(F)(F)F ZINC000003103563 194226140 /nfs/dbraw/zinc/22/61/40/194226140.db2.gz GDKCEFKYECQZFT-NRFANRHFSA-N -1 1 452.429 3.952 50 0 biogenic JHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCN(c4ncccn4)CC3)c2)cc1C ZINC000003303237 194273796 /nfs/dbraw/zinc/27/37/96/194273796.db2.gz SZNFNUSYKPFMIB-UHFFFAOYSA-N -1 1 485.997 3.510 50 0 JHAAMM Cc1cccc(OCc2nnc(SCC(=O)[N-]C(=O)c3ccccc3Br)o2)c1 ZINC000003442433 194325613 /nfs/dbraw/zinc/32/56/13/194325613.db2.gz SADRPDBNNKMYAR-UHFFFAOYSA-N -1 1 462.325 3.768 50 0 JHAAMM O=C(NCC[C@H]1CCCO1)c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000012604585 195049537 /nfs/dbraw/zinc/04/95/37/195049537.db2.gz OSHQLHOAQCIRAO-QGZVFWFLSA-N -1 1 453.358 3.549 50 0 JHAAMM Cc1c(O)ccc2c(COC(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)cc(=O)oc12 ZINC000012605394 195051090 /nfs/dbraw/zinc/05/10/90/195051090.db2.gz SCKVATCKHDNJSR-UHFFFAOYSA-N -1 1 465.483 3.965 50 0 JHAAMM C[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1)c1ccc(F)cc1 ZINC000012630820 195062806 /nfs/dbraw/zinc/06/28/06/195062806.db2.gz IJIOTDCJXOLLOZ-HNNXBMFYSA-N -1 1 456.495 3.889 50 0 JHAAMM Cc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1N1CC[NH+](C2CCCCC2)CC1 ZINC000058009445 195362073 /nfs/dbraw/zinc/36/20/73/195362073.db2.gz MFJOMKQBLAADJB-UHFFFAOYSA-N -1 1 457.596 3.949 50 0 JHAAMM Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000058009449 195362214 /nfs/dbraw/zinc/36/22/14/195362214.db2.gz QYBBOKFMBMOTNG-UHFFFAOYSA-N -1 1 457.596 3.949 50 0 JHAAMM CC(=O)c1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)c2)c1 ZINC000012507997 518444313 /nfs/dbraw/zinc/44/43/13/518444313.db2.gz GEPYUYNEPJHLJX-UHFFFAOYSA-N -1 1 452.488 3.714 50 0 JHAAMM CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000006141970 519724326 /nfs/dbraw/zinc/72/43/26/519724326.db2.gz CJXSDQWSIDBPOH-MRXNPFEDSA-N -1 1 481.530 3.630 50 0 JHAAMM CCCNC(=O)[C@@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)c2)C1 ZINC000021710945 519890454 /nfs/dbraw/zinc/89/04/54/519890454.db2.gz WAEXWBOQYXIYEK-JOCHJYFZSA-N -1 1 483.634 3.745 50 0 JHAAMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCN(c4cccc(OC)c4)CC3)c2)cc1 ZINC000008826169 521209978 /nfs/dbraw/zinc/20/99/78/521209978.db2.gz BYFISPZJQSYORS-UHFFFAOYSA-N -1 1 495.601 3.857 50 0 JHAAMM CCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)cc2s1 ZINC000033298881 521694780 /nfs/dbraw/zinc/69/47/80/521694780.db2.gz VFEKLCMHVGMILG-UHFFFAOYSA-N -1 1 450.485 3.910 50 0 JHAAMM CC[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000021662356 522200755 /nfs/dbraw/zinc/20/07/55/522200755.db2.gz WVMCODSXSQONMS-NQIIRXRSSA-N -1 1 457.596 3.624 50 0 JHAAMM CCc1nn2c(c1-c1ccc(C)c(S(=O)(=O)[N-]c3cc(OC)cc(OC)c3)c1)NC(=O)CCC2=O ZINC000033276640 522706473 /nfs/dbraw/zinc/70/64/73/522706473.db2.gz DVPBUOPMLADLNV-UHFFFAOYSA-N -1 1 498.561 3.611 50 0 JHAAMM CCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)[N-]c3ccc(F)cc3F)c1)NC(=O)CCC2=O ZINC000033276715 522707488 /nfs/dbraw/zinc/70/74/88/522707488.db2.gz HYGFVKXCDPMVDH-UHFFFAOYSA-N -1 1 490.488 3.573 50 0 JHAAMM COc1ccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c(OC)c1 ZINC000012520892 524000341 /nfs/dbraw/zinc/00/03/41/524000341.db2.gz KIUUINDGUOCKRI-UHFFFAOYSA-N -1 1 458.511 3.916 50 0 JHAAMM C[C@H]1CCCN(c2ncc(C(=O)[O-])cc2NS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000035479672 524109244 /nfs/dbraw/zinc/10/92/44/524109244.db2.gz PKNORUAYWXXERK-LBPRGKRZSA-N -1 1 454.346 3.579 50 0 JHAAMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3Cc2noc(C3CCC3)n2)c1 ZINC000064946956 524161470 /nfs/dbraw/zinc/16/14/70/524161470.db2.gz FFJKIVZAYZJBFH-UHFFFAOYSA-N -1 1 454.508 3.711 50 0 JHAAMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2Cc1noc(C2CC2)n1 ZINC000064946910 524757098 /nfs/dbraw/zinc/75/70/98/524757098.db2.gz QVEFFUHDEKFKDU-UHFFFAOYSA-N -1 1 460.899 3.666 50 0 JHAAMM Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000033254037 524807309 /nfs/dbraw/zinc/80/73/09/524807309.db2.gz ZMMCERBSCNWYLL-UHFFFAOYSA-N -1 1 457.596 3.949 50 0 JHAAMM Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)c(Cl)c3)c(=O)[n-]2)cc1F ZINC000012414584 525082637 /nfs/dbraw/zinc/08/26/37/525082637.db2.gz MDMBANIFGMGSMC-UHFFFAOYSA-N -1 1 481.958 3.743 50 0 JHAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCN(Cc4ccsc4)CC3)c2)cc1 ZINC000012507841 525305907 /nfs/dbraw/zinc/30/59/07/525305907.db2.gz GNKHXHFPDGQVIX-UHFFFAOYSA-N -1 1 455.605 3.815 50 0 JHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H](C(=O)NCCC(C)C)C3)cc2)cc1 ZINC000021706526 525598054 /nfs/dbraw/zinc/59/80/54/525598054.db2.gz ZTSFZLSSCQJEAT-NRFANRHFSA-N -1 1 471.623 3.810 50 0 JHAAMM COc1cccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCCc4ccccc4)CC3)cc2)c1 ZINC000033274612 526244226 /nfs/dbraw/zinc/24/42/26/526244226.db2.gz JGEVNZDPXIROBV-UHFFFAOYSA-N -1 1 450.560 3.887 50 0 JHAAMM O=C(NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)c1cc2ccccc2cc1[O-] ZINC000033603114 526299493 /nfs/dbraw/zinc/29/94/93/526299493.db2.gz CHMQGVYACHQTCR-UFFVCSGVSA-N -1 1 462.483 3.740 50 0 JHAAMM O=C(c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)N1CCc2sccc2C1 ZINC000012216504 526702615 /nfs/dbraw/zinc/70/26/15/526702615.db2.gz PHXHCGUSVDVOFE-UHFFFAOYSA-N -1 1 470.572 3.909 50 0 JHAAMM N[C@H](Cc1ccccc1)C(=O)Oc1cc([O-])c2c(c1)occ(-c1ccc3c(c1)OCCCO3)c2=O ZINC000020412701 527389936 /nfs/dbraw/zinc/38/99/36/527389936.db2.gz PAXNVPZJVMRVBU-HXUWFJFHSA-N -1 1 473.481 3.802 50 0 biogenic JHAAMM CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)c1 ZINC000002654281 554270091 /nfs/dbraw/zinc/27/00/91/554270091.db2.gz YTXVOCXSTGJQHZ-UHFFFAOYSA-N -1 1 465.483 3.681 50 0 JHAAMM Cc1nn(C)c(C(=O)[N-]n2c(C)nc3sc4c(c3c2=O)CCCCCC4)c1Br ZINC000002777936 554340770 /nfs/dbraw/zinc/34/07/70/554340770.db2.gz CIHLWUDZJWPQDB-UHFFFAOYSA-N -1 1 464.389 3.614 50 0 JHAAMM CCCCCNC(=O)c1c[n-]c2ccc(S(=O)(=O)N(C)c3ccccc3OCC)cc2c1=O ZINC000006181174 554515644 /nfs/dbraw/zinc/51/56/44/554515644.db2.gz HEBGAOCESYUPLW-UHFFFAOYSA-N -1 1 471.579 3.672 50 0 JHAAMM O=C(COc1ccc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)cc1)N1CCOCC1 ZINC000008780088 554677340 /nfs/dbraw/zinc/67/73/40/554677340.db2.gz OXERNHLGHSJIID-UHFFFAOYSA-N -1 1 466.515 3.624 50 0 JHAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC[C@H]3CCCO3)ccc2N2CCCCC2)cc1 ZINC000008812953 554695138 /nfs/dbraw/zinc/69/51/38/554695138.db2.gz IALKBZXVKXMSIL-HXUWFJFHSA-N -1 1 457.596 3.695 50 0 JHAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)c1ccc2c(c1)NC(=O)CS2 ZINC000009114697 554901437 /nfs/dbraw/zinc/90/14/37/554901437.db2.gz AONRRUWIWMFZMA-UHFFFAOYSA-N -1 1 497.554 3.555 50 0 JHAAMM Cc1ccc(NC(=O)CN(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000009120746 554914208 /nfs/dbraw/zinc/91/42/08/554914208.db2.gz VCLUUCWVARIHFA-UHFFFAOYSA-N -1 1 451.548 3.815 50 0 JHAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCC(=O)NCc3cccc(Cl)c3)c2)cc1 ZINC000009378549 555140014 /nfs/dbraw/zinc/14/00/14/555140014.db2.gz VVTKJKMGMVVFFM-UHFFFAOYSA-N -1 1 488.949 3.623 50 0 JHAAMM Cc1ccc(NC(=O)Cc2csc(N3CCCC3=O)n2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000009385937 555148926 /nfs/dbraw/zinc/14/89/26/555148926.db2.gz MQXKFJUZMGWEHM-UHFFFAOYSA-N -1 1 488.566 3.699 50 0 JHAAMM Cc1noc(C)c1COc1ccc(CC(=O)OCC(=O)[N-]C(=O)c2ccc(Cl)cc2)cc1 ZINC000009442576 555214769 /nfs/dbraw/zinc/21/47/69/555214769.db2.gz OLIUVDGNDDXGAZ-UHFFFAOYSA-N -1 1 456.882 3.566 50 0 JHAAMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)Cc3ccc4c(c3)OCO4)c2)cc1 ZINC000009468880 555249632 /nfs/dbraw/zinc/24/96/32/555249632.db2.gz OGRPXGVUWGDNKX-UHFFFAOYSA-N -1 1 468.531 3.887 50 0 JHAAMM Nc1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)[n-]c(=O)c1NC(=O)c1ccccc1F ZINC000009518104 555311965 /nfs/dbraw/zinc/31/19/65/555311965.db2.gz CKJHAPDOCCVGPL-UHFFFAOYSA-N -1 1 482.324 3.781 50 0 JHAAMM Cc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)[n-]c2=O)cc1 ZINC000009518140 555312220 /nfs/dbraw/zinc/31/22/20/555312220.db2.gz DTDYAPVVMFMKAE-UHFFFAOYSA-N -1 1 478.361 3.950 50 0 JHAAMM CCS(=O)(=O)c1ccc(-c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)nn1 ZINC000009650656 555362349 /nfs/dbraw/zinc/36/23/49/555362349.db2.gz HESLUPZWAZFPSV-UHFFFAOYSA-N -1 1 455.920 3.531 50 0 JHAAMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)ccc2C)c(C)c1 ZINC000009668831 555382499 /nfs/dbraw/zinc/38/24/99/555382499.db2.gz NCNDOSSUDLEUFT-UHFFFAOYSA-N -1 1 478.574 3.855 50 0 JHAAMM CCCc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC(C(=O)NC4CC4)CC3)c2)cc1 ZINC000013357215 555383995 /nfs/dbraw/zinc/38/39/95/555383995.db2.gz ODRQDOJIZRVKLL-UHFFFAOYSA-N -1 1 469.607 3.571 50 0 JHAAMM Cc1ccccc1CNC(=O)c1cccc(NC(=O)Cc2sc(N3CCCCC3)nc2[O-])c1 ZINC000009684920 555413679 /nfs/dbraw/zinc/41/36/79/555413679.db2.gz ZPKFFVLAOVPHIH-NRFANRHFSA-N -1 1 464.591 3.738 50 0 JHAAMM Cc1cccc(C)c1NC(=O)[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000009692413 555419277 /nfs/dbraw/zinc/41/92/77/555419277.db2.gz VSIYIPFIPNXYPJ-FQEVSTJZSA-N -1 1 452.561 3.966 50 0 JHAAMM Cc1ccc(NC(=O)[C@@H]([N-]S(=O)(=O)c2cccc3nsnc32)c2ccccc2)cc1F ZINC000009692551 555420302 /nfs/dbraw/zinc/42/03/02/555420302.db2.gz VIRYKIRFUIXHFG-IBGZPJMESA-N -1 1 456.524 3.797 50 0 JHAAMM 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523995654 /nfs/dbraw/zinc/99/56/54/523995654.db2.gz DPMMTGPUKJXVKJ-PGRDOPGGSA-N -1 1 457.596 3.624 50 0 JHAAMM COc1ccc([N-]S(=O)(=O)c2cc(-c3nc(C)cs3)n(CC(=O)N3CCCCC3)c2)cc1 ZINC000033307618 524686426 /nfs/dbraw/zinc/68/64/26/524686426.db2.gz QNVLYPDHAWSTDH-UHFFFAOYSA-N -1 1 474.608 3.742 50 0 JHAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCC(=O)NC[C@H](C)c3ccccc3)c2)cc1 ZINC000009378529 524698985 /nfs/dbraw/zinc/69/89/85/524698985.db2.gz CFTOFQVYTJNLAN-SFHVURJKSA-N -1 1 482.558 3.573 50 0 JHAAMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2CCC(=O)N1CCCC1 ZINC000035503473 524899511 /nfs/dbraw/zinc/89/95/11/524899511.db2.gz VHSMGQYYUZBVGR-UHFFFAOYSA-N -1 1 480.011 3.838 50 0 JHAAMM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3ccc(C)cc3)ccc2N2CCOCC2)cc1 ZINC000002912038 525077898 /nfs/dbraw/zinc/07/78/98/525077898.db2.gz XADQFTUIPGOEMF-UHFFFAOYSA-N -1 1 495.601 3.571 50 0 JHAAMM Cc1ccc(S(=O)(=O)[C@@H](C[N-]S(=O)(=O)c2cc(F)ccc2F)c2cccs2)cc1 ZINC000008601933 525627818 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3.608 50 0 JHAAMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)NCc1ccc(N2CCCC2=O)cc1 ZINC000009468051 555246608 /nfs/dbraw/zinc/24/66/08/555246608.db2.gz URPFMVSHEMAGEP-UHFFFAOYSA-N -1 1 481.549 3.612 50 0 JHAAMM COc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc(C)oc2C)c1 ZINC000009510183 555299171 /nfs/dbraw/zinc/29/91/71/555299171.db2.gz QQNVACNYBPOAKM-UHFFFAOYSA-N -1 1 485.562 3.795 50 0 JHAAMM CCCCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(S(=O)(=O)CC)nn3)cc2)cc1 ZINC000009650614 555362375 /nfs/dbraw/zinc/36/23/75/555362375.db2.gz UJQGQOHQXQTAQJ-UHFFFAOYSA-N -1 1 475.592 3.917 50 0 JHAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3ccc(C)c(F)c3)c2)cc1 ZINC000009663444 555371065 /nfs/dbraw/zinc/37/10/65/555371065.db2.gz GSEVBWZCOVCCOG-UHFFFAOYSA-N -1 1 472.494 3.739 50 0 JHAAMM CC[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)CC1 ZINC000013352675 555380931 /nfs/dbraw/zinc/38/09/31/555380931.db2.gz AXNXKMGTGRSIBX-GOSISDBHSA-N -1 1 457.596 3.563 50 0 JHAAMM O=C(NCc1ccccc1)C1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000013352624 555380956 /nfs/dbraw/zinc/38/09/56/555380956.db2.gz GNMSVJHXVOJRPE-UHFFFAOYSA-N -1 1 477.586 3.656 50 0 JHAAMM CCCNC(=O)C1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(CCC)cc3)cc2)CC1 ZINC000013353107 555381623 /nfs/dbraw/zinc/38/16/23/555381623.db2.gz DLCIZQJHGLDNKX-UHFFFAOYSA-N -1 1 471.623 3.818 50 0 JHAAMM O=C(COC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1)c1ccccc1 ZINC000009586732 555397446 /nfs/dbraw/zinc/39/74/46/555397446.db2.gz FUHHLVXGBAMZSC-UHFFFAOYSA-N -1 1 467.499 3.688 50 0 JHAAMM O=C(Cc1sc(N2CCCCC2)nc1[O-])Nc1cccc(C(=O)NCc2ccc(F)cc2)c1 ZINC000009684913 555413650 /nfs/dbraw/zinc/41/36/50/555413650.db2.gz BQLIXICXGGXCBK-FQEVSTJZSA-N -1 1 468.554 3.568 50 0 JHAAMM NC(=O)c1c2c(sc1NC(=O)c1cccc([N-]S(=O)(=O)c3ccc(F)cc3)c1)CCCC2 ZINC000009714778 555445003 /nfs/dbraw/zinc/44/50/03/555445003.db2.gz WPECMVFEQNOIES-UHFFFAOYSA-N -1 1 473.551 3.918 50 0 JHAAMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)n1 ZINC000009716110 555449084 /nfs/dbraw/zinc/44/90/84/555449084.db2.gz FIAZBVGOXBXHPW-UHFFFAOYSA-N -1 1 452.536 3.714 50 0 JHAAMM CCCc1cc(=O)[n-]c(SCC(=O)c2cc(C)n(C[C@H]3COc4ccccc4O3)c2C)n1 ZINC000013522980 555486387 /nfs/dbraw/zinc/48/63/87/555486387.db2.gz WOXUHCBSLXQKOG-SFHVURJKSA-N -1 1 453.564 3.956 50 0 JHAAMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000013678997 555570568 /nfs/dbraw/zinc/57/05/68/555570568.db2.gz GYEFWXZFDKOJSG-UHFFFAOYSA-N -1 1 453.539 3.897 50 0 JHAAMM C[C@@H](NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1)c1cccs1 ZINC000010219228 555652275 /nfs/dbraw/zinc/65/22/75/555652275.db2.gz RTQACSGSMUUOTP-KDOFPFPSSA-N -1 1 456.593 3.662 50 0 JHAAMM C[C@H](NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1)c1cccs1 ZINC000010219219 555652290 /nfs/dbraw/zinc/65/22/90/555652290.db2.gz RTQACSGSMUUOTP-KBXCAEBGSA-N -1 1 456.593 3.662 50 0 JHAAMM COc1ccc(F)cc1C(=O)COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000010673605 555731548 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SKLKVXOROOGWAT-UHFFFAOYSA-N -1 1 475.505 3.976 50 0 JHAAMM O=C(Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[n-]1)CCCC2)c1ccc(Br)o1 ZINC000012010489 555884546 /nfs/dbraw/zinc/88/45/46/555884546.db2.gz GDFQVAVNMDTNSH-UHFFFAOYSA-N -1 1 470.283 3.702 50 0 JHAAMM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](c2cccs2)N(C)C)ccc1C ZINC000015536810 555913894 /nfs/dbraw/zinc/91/38/94/555913894.db2.gz HHOMJPFEKSLQKD-IBGZPJMESA-N -1 1 473.620 3.899 50 0 JHAAMM O=C(NCc1ccc2c(c1)OCCO2)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000015557461 555915476 /nfs/dbraw/zinc/91/54/76/555915476.db2.gz FOBHEACQTPTDJE-UHFFFAOYSA-N -1 1 458.923 3.842 50 0 JHAAMM COc1cccc(N2CCN(C(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)CC2)c1 ZINC000012526256 555994338 /nfs/dbraw/zinc/99/43/38/555994338.db2.gz NJPYUGJJFRCYQB-UHFFFAOYSA-N -1 1 465.575 3.767 50 0 JHAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC[C@@H](c3ccc(F)cc3)N3CCOCC3)c2)cc1 ZINC000023156393 556025260 /nfs/dbraw/zinc/02/52/60/556025260.db2.gz HXQOUADRKHIQDT-VWLOTQADSA-N -1 1 497.592 3.738 50 0 JHAAMM CC(C)C(=O)N1CCN(C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)CC1 ZINC000012548503 556026639 /nfs/dbraw/zinc/02/66/39/556026639.db2.gz OHIVDMLJUDEDCD-UHFFFAOYSA-N -1 1 479.602 3.510 50 0 JHAAMM CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2)cc1OC ZINC000012548618 556027253 /nfs/dbraw/zinc/02/72/53/556027253.db2.gz JZDQSVCACYMYAJ-UHFFFAOYSA-N -1 1 470.503 3.876 50 0 JHAAMM Cc1ccccc1CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000012548617 556027344 /nfs/dbraw/zinc/02/73/44/556027344.db2.gz FZPBGWGBLHPCKT-UHFFFAOYSA-N -1 1 466.559 3.930 50 0 JHAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3sc4c(c3C(N)=O)CCC4)c2)cc1 ZINC000015882444 556056718 /nfs/dbraw/zinc/05/67/18/556056718.db2.gz FTRLGEALZWTOLW-UHFFFAOYSA-N -1 1 455.561 3.697 50 0 JHAAMM O=C(Cc1sc(N2CCCC2)nc1[O-])Nc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000024750489 556149017 /nfs/dbraw/zinc/14/90/17/556149017.db2.gz RMBWODXMDOWBBB-RDJZCZTQSA-N -1 1 482.528 3.524 50 0 JHAAMM CCOC(=O)c1c(-c2ccccc2)csc1[N-]C(=O)c1nc(S(C)(=O)=O)ncc1Cl ZINC000016751378 556157539 /nfs/dbraw/zinc/15/75/39/556157539.db2.gz NYROPFZCSZLUGF-UHFFFAOYSA-N -1 1 465.940 3.691 50 0 JHAAMM O=C(NCc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000012994887 556187174 /nfs/dbraw/zinc/18/71/74/556187174.db2.gz FOXSLVSWCKFDJH-UHFFFAOYSA-N -1 1 458.923 3.842 50 0 JHAAMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000025327200 556208696 /nfs/dbraw/zinc/20/86/96/556208696.db2.gz OEFMQTPRMQEACE-UHFFFAOYSA-N -1 1 495.576 3.721 50 0 JHAAMM CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)NC3CCCCC3)[n-]c2=O)cc1 ZINC000017271343 556249952 /nfs/dbraw/zinc/24/99/52/556249952.db2.gz BVPNEHXFEGQCLY-UHFFFAOYSA-N -1 1 463.625 3.899 50 0 JHAAMM COc1cccc(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)c1 ZINC000017969513 556273539 /nfs/dbraw/zinc/27/35/39/556273539.db2.gz ZBVUWESWYFOWQT-UHFFFAOYSA-N -1 1 481.574 3.824 50 0 JHAAMM COc1ccccc1[C@@H](C)NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCCC3)nc2[O-])cc1 ZINC000013121407 556337509 /nfs/dbraw/zinc/33/75/09/556337509.db2.gz INKNMKBULGNCMM-VGOFRKELSA-N -1 1 494.617 3.999 50 0 JHAAMM O=C(Cc1sc(N2CCCC2)nc1[O-])Nc1ccc(C(=O)NCCCC2CCCC2)cc1 ZINC000032764941 556488403 /nfs/dbraw/zinc/48/84/03/556488403.db2.gz RZVGOFBKZIQJAH-FQEVSTJZSA-N -1 1 456.612 3.809 50 0 JHAAMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@@H]3COc4ccccc4O3)cc2)ccc1F ZINC000008725683 569600255 /nfs/dbraw/zinc/60/02/55/569600255.db2.gz YMFHTWWFKCNWEM-GOSISDBHSA-N -1 1 456.495 3.505 50 0 JHAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cnc(N3CCC[C@H](C[NH+]4CCCC4)C3)c(C(=O)[O-])c2)c1 ZINC000064843473 569637933 /nfs/dbraw/zinc/63/79/33/569637933.db2.gz MIOGRBKEWWDCOT-LJQANCHMSA-N -1 1 472.611 3.510 50 0 JHAAMM Cc1cc2c(cc1S(=O)(=O)[N-]c1cccc(Cl)c1C)OCC(=O)N2Cc1noc(C2CC2)n1 ZINC000065022785 569649530 /nfs/dbraw/zinc/64/95/30/569649530.db2.gz FNSPRBDNEFLKTP-UHFFFAOYSA-N -1 1 488.953 3.944 50 0 JHAAMM Cc1cccc([N-]S(=O)(=O)c2cc3c(cc2C)N(Cc2noc(C4CC4)n2)C(=O)CO3)c1C ZINC000065022762 569649613 /nfs/dbraw/zinc/64/96/13/569649613.db2.gz RHLJRAXOJPVBTJ-UHFFFAOYSA-N -1 1 468.535 3.599 50 0 JHAAMM Cc1ccc(-c2noc(C(=O)N3CCCCC3)n2)cc1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000065318971 569673480 /nfs/dbraw/zinc/67/34/80/569673480.db2.gz JAJREWITAOYHOM-UHFFFAOYSA-N -1 1 458.515 3.919 50 0 JHAAMM COc1ccc(C)cc1NC(=O)CSc1nc2c(c(=O)[n-]1)CN(Cc1ccc(F)cc1)CC2 ZINC000067291608 569685923 /nfs/dbraw/zinc/68/59/23/569685923.db2.gz OLPAPGWGVAWIKJ-UHFFFAOYSA-N -1 1 468.554 3.927 50 0 JHAAMM O=C(CSc1ncc(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c(=O)[n-]1)N1CCc2ccccc21 ZINC000072328568 569702516 /nfs/dbraw/zinc/70/25/16/569702516.db2.gz KOSSEMCHEZUCRJ-UHFFFAOYSA-N -1 1 496.397 3.591 50 0 JHAAMM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)n(-c4c(C)noc4C)n3)ccc2C)c1 ZINC000085652038 569713900 /nfs/dbraw/zinc/71/39/00/569713900.db2.gz XREXMFPAMSQHQX-UHFFFAOYSA-N -1 1 478.530 3.816 50 0 JHAAMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3CCC(=O)N2CCCCC2)c1 ZINC000095841969 569729213 /nfs/dbraw/zinc/72/92/13/569729213.db2.gz KKFFYQMMUGZDOZ-UHFFFAOYSA-N -1 1 473.620 3.883 50 0 JHAAMM COc1ccc(-n2nc3c4cc(C(=O)NCCc5ccc(OC)c(OC)c5)ccc4[n-]cc-3c2=O)cc1 ZINC000101281822 569789025 /nfs/dbraw/zinc/78/90/25/569789025.db2.gz RFGTZUDVPXPMKD-UHFFFAOYSA-N -1 1 498.539 3.817 50 0 JHAAMM CCCCn1c([O-])c(C2=NN(C(C)=O)[C@@H](c3ccc(Br)cc3)C2)c(=O)[nH]c1=S ZINC000101456022 569798184 /nfs/dbraw/zinc/79/81/84/569798184.db2.gz KYJIUAGIHOGRLL-OAHLLOKOSA-N -1 1 465.373 3.872 50 0 JHAAMM CCN1CCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000039927482 569812184 /nfs/dbraw/zinc/81/21/84/569812184.db2.gz LNHKBUAGIKTFKM-UHFFFAOYSA-N -1 1 466.394 3.879 50 0 JHAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000040089999 569815955 /nfs/dbraw/zinc/81/59/55/569815955.db2.gz FQRLHUDVYYSYTR-QGZVFWFLSA-N -1 1 487.603 3.658 50 0 JHAAMM COc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)[n-]c(=O)c32)cc1 ZINC000046075234 569843881 /nfs/dbraw/zinc/84/38/81/569843881.db2.gz DBURXUKQMWITFZ-INIZCTEOSA-N -1 1 470.938 3.789 50 0 JHAAMM Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[n-]c(=O)c32)c1 ZINC000046075404 569844185 /nfs/dbraw/zinc/84/41/85/569844185.db2.gz BSASZPHCTVZMMB-KRWDZBQOSA-N -1 1 452.511 3.883 50 0 JHAAMM Cc1ccccc1CSc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1cc(F)ccc1F)CC(=O)N2 ZINC000046075795 569844513 /nfs/dbraw/zinc/84/45/13/569844513.db2.gz POOLLAYFZVLXEH-AWEZNQCLSA-N -1 1 456.474 3.713 50 0 JHAAMM COc1ccc(N2C(=O)C[C@H](Sc3ccc([N-]S(=O)(=O)c4ccccc4)cc3)C2=O)cc1 ZINC000112299004 569861263 /nfs/dbraw/zinc/86/12/63/569861263.db2.gz PSFIIGVGVDSDFR-NRFANRHFSA-N -1 1 468.556 3.920 50 0 JHAAMM Cc1ccc2nc3c(cc2c1)C[C@]1(C(=O)[N-]C(=O)N(CCc2ccccc2)C1=O)[C@H]1CCCCN31 ZINC000208131241 569874842 /nfs/dbraw/zinc/87/48/42/569874842.db2.gz PTZHMGLCQPIMRP-QDPGVEIFSA-N -1 1 468.557 3.766 50 0 JHAAMM O=C(N=c1cc(-c2ccccc2)[n-]n1[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1Cl ZINC000334158506 570184312 /nfs/dbraw/zinc/18/43/12/570184312.db2.gz SIGUPWOVZDUIMJ-HNNXBMFYSA-N -1 1 450.347 3.891 50 0 JHAAMM O=C(N=c1cc(-c2ccccc2)[n-]n1[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1Cl ZINC000334158507 570184322 /nfs/dbraw/zinc/18/43/22/570184322.db2.gz SIGUPWOVZDUIMJ-OAHLLOKOSA-N -1 1 450.347 3.891 50 0 JHAAMM