smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCC3(CC2)OCCO3)cc1OC ZINC000022626608 126343994 /nfs/dbraw/zinc/34/39/94/126343994.db2.gz OLOJYDFFDMTABF-GOSISDBHSA-N -1 3 460.556 3.140 50 0 JGAAHM CCOc1cc(C2C(C(=O)OC)=CN(C3CC3)C=C2C(=O)OC)cc(Br)c1[O-] ZINC000001077109 194018760 /nfs/dbraw/zinc/01/87/60/194018760.db2.gz LGXJYZAPCHUJDK-UHFFFAOYSA-N -1 3 452.301 3.229 50 0 JGAAHM CCOC(=O)C1=CN(C)C=C(C(=O)OCC)C1c1cc(Br)c([O-])c(OCC)c1 ZINC000001146133 194047753 /nfs/dbraw/zinc/04/77/53/194047753.db2.gz DXPANFRIHVVNRA-UHFFFAOYSA-N -1 3 454.317 3.476 50 0 JGAAHM CCOC(=O)c1c([N-]C(=O)C(F)(F)F)sc(NC(=O)C(F)(F)F)c1C(=O)OCC ZINC000001184230 194063833 /nfs/dbraw/zinc/06/38/33/194063833.db2.gz NTCALPAAKVBXJF-UHFFFAOYSA-N -1 3 450.313 3.103 50 0 JGAAHM O=C(Nc1ccccc1F)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000003219622 194241775 /nfs/dbraw/zinc/24/17/75/194241775.db2.gz KUMTVCJWYNIMNN-SFHVURJKSA-N -1 3 456.524 3.359 50 0 JGAAHM CCN(CC)C(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2c(C)n(C)n(-c3ccccc3)c2=O)c1 ZINC000003301348 194272636 /nfs/dbraw/zinc/27/26/36/194272636.db2.gz IMONULPOFMTPAY-UHFFFAOYSA-N -1 3 476.986 3.421 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)OCC(=O)Nc3ccc(N(C)C)cc3)c2)cc1 ZINC000003297042 194270829 /nfs/dbraw/zinc/27/08/29/194270829.db2.gz AEQBSRDJLUHOMX-UHFFFAOYSA-N -1 3 499.545 3.063 50 0 JGAAHM CCN(CC)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2c(C)n(C)n(-c3ccccc3)c2=O)c1 ZINC000003368110 194304190 /nfs/dbraw/zinc/30/41/90/194304190.db2.gz AOPYTOJIDRXTOB-UHFFFAOYSA-N -1 3 476.986 3.421 50 0 JGAAHM Cc1cccc(C)c1NC(=O)C1(N(Cc2ccco2)C(=O)C[C@H]2NC(=O)[N-]C2=O)CCCCC1 ZINC000004078323 194375492 /nfs/dbraw/zinc/37/54/92/194375492.db2.gz ZMFMIHGPPIYDSN-LJQANCHMSA-N -1 3 466.538 3.165 50 0 JGAAHM CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000009864954 195003195 /nfs/dbraw/zinc/00/31/95/195003195.db2.gz CSRDXVQFYPIUJB-UHFFFAOYSA-N -1 3 458.971 3.298 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1ccccc1N(Cc1ccc(OC(C)C)cc1)C2=O ZINC000009925741 195023811 /nfs/dbraw/zinc/02/38/11/195023811.db2.gz WBFCQEOLAAKJNE-QHCPKHFHSA-N -1 3 452.536 3.176 50 0 JGAAHM CCOc1ccccc1CN1c2ccc(C)cc2[C@]2(SC([N-]C(C)=O)=NN2C(C)=O)C1=O ZINC000009872061 195006491 /nfs/dbraw/zinc/00/64/91/195006491.db2.gz TVGJRVYQGFQJNG-QHCPKHFHSA-N -1 3 452.536 3.096 50 0 JGAAHM Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000009949521 195032625 /nfs/dbraw/zinc/03/26/25/195032625.db2.gz YFKYNMSFQJDFFQ-OAHLLOKOSA-N -1 3 485.566 3.048 50 0 JGAAHM O=C(CNC(=O)NCc1ccccc1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000012608103 195052779 /nfs/dbraw/zinc/05/27/79/195052779.db2.gz PHCQNQVHJJNLJN-UHFFFAOYSA-N -1 3 456.499 3.064 50 0 JGAAHM Cc1cc([N-]C(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)on1 ZINC000012681190 195084422 /nfs/dbraw/zinc/08/44/22/195084422.db2.gz PPUVMXOBMBVPKV-SFHVURJKSA-N -1 3 460.600 3.364 50 0 JGAAHM COc1ccc2cc(CN(C)C(=O)CN3CCC([N-]S(=O)(=O)c4cccs4)CC3)ccc2c1 ZINC000012759951 195109986 /nfs/dbraw/zinc/10/99/86/195109986.db2.gz KFSYYGXUGQBWOZ-UHFFFAOYSA-N -1 3 487.647 3.311 50 0 JGAAHM O=C([N-]OCc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000012774645 195119932 /nfs/dbraw/zinc/11/99/32/195119932.db2.gz HPBUIEVPHKYRMO-INIZCTEOSA-N -1 3 453.358 3.098 50 0 JGAAHM C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C(=O)NCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000012807186 195142318 /nfs/dbraw/zinc/14/23/18/195142318.db2.gz ADAHYFAXJWCJBE-IXDOHACOSA-N -1 3 486.663 3.499 50 0 JGAAHM CCOC(=O)c1sc([N-]C(=O)c2cnn3cc(Br)cnc23)c(C(=O)OCC)c1C ZINC000012849390 195153987 /nfs/dbraw/zinc/15/39/87/195153987.db2.gz QEQCKXBGSLKVQM-UHFFFAOYSA-N -1 3 481.328 3.467 50 0 JGAAHM CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000012877934 195167167 /nfs/dbraw/zinc/16/71/67/195167167.db2.gz UKGAFOKHYLYMSG-UHFFFAOYSA-N -1 3 459.474 3.476 50 0 JGAAHM Cc1ccc(S(=O)(=O)N2CCC([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC000012894869 195174991 /nfs/dbraw/zinc/17/49/91/195174991.db2.gz QRMUXUBILHYXTE-UHFFFAOYSA-N -1 3 463.408 3.433 50 0 JGAAHM CCOc1cc([C@@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OC(=O)c1cccc(OC)c1 ZINC000020895795 195239495 /nfs/dbraw/zinc/23/94/95/195239495.db2.gz XEEIXKFDKKEOQC-FQEVSTJZSA-N -1 3 457.508 3.314 50 0 JGAAHM CCOc1nn(CC)cc1C(=O)[N-]c1nnc(SCC(=O)Nc2cccc(F)c2)s1 ZINC000021011455 195266714 /nfs/dbraw/zinc/26/67/14/195266714.db2.gz MKHWLXHCSDYUMD-UHFFFAOYSA-N -1 3 450.521 3.275 50 0 JGAAHM Cc1ccc(C)c(Cn2nnc3c2nc([C@@H]2CCCN(C(=O)Cc4ccccc4C)C2)[n-]c3=O)c1 ZINC000021178064 195290863 /nfs/dbraw/zinc/29/08/63/195290863.db2.gz UAGLMOICVSVTON-OAQYLSRUSA-N -1 3 470.577 3.437 50 0 JGAAHM C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000021724301 195320223 /nfs/dbraw/zinc/32/02/23/195320223.db2.gz UEWZLOUPZXQLEO-ZBEGNZNMSA-N -1 3 463.383 3.286 50 0 JGAAHM COCc1nc(CN(Cc2ccco2)C(=O)C2CCC2)[n-]c(=O)c1Cc1cccc(OC)c1 ZINC000096317815 130062296 /nfs/dbraw/zinc/06/22/96/130062296.db2.gz SRKBYZIJHFNQPA-UHFFFAOYSA-N -1 3 451.523 3.438 50 0 JGAAHM Cc1ccc(/C=C\S(=O)(=O)[N-]CC(=O)OCc2nnc(-c3ccccc3Br)o2)cc1 ZINC000096448514 130081668 /nfs/dbraw/zinc/08/16/68/130081668.db2.gz HZBZFXGMBYHKMW-KHPPLWFESA-N -1 3 492.351 3.441 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)S1 ZINC000020895944 519643290 /nfs/dbraw/zinc/64/32/90/519643290.db2.gz MDCJRQXJJITAHF-SFHVURJKSA-N -1 3 467.956 3.417 50 0 JGAAHM CC1CCN(C(=O)c2cnc3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3c2[O-])CC1 ZINC000009490117 520987752 /nfs/dbraw/zinc/98/77/52/520987752.db2.gz BLLVQUXJIGDAAX-UHFFFAOYSA-N -1 3 453.564 3.221 50 0 JGAAHM CCCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCC(C)C)ccc2N2CCNCC2)cc1 ZINC000033034349 521412187 /nfs/dbraw/zinc/41/21/87/521412187.db2.gz GATHTQLIMDQOJS-UHFFFAOYSA-N -1 3 458.628 3.235 50 0 JGAAHM CCN1C(=S)N[C@@H](c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2)C(C(=O)OC)=C1C ZINC000004146249 521540658 /nfs/dbraw/zinc/54/06/58/521540658.db2.gz WXBVCPVLKKPSBM-FQEVSTJZSA-N -1 3 475.592 3.194 50 0 JGAAHM CCCN(CCC)C(=O)c1cc([N-]S(=O)(=O)c2cc(C)c(C)cc2C)cnc1N1CCNCC1 ZINC000035514028 521641255 /nfs/dbraw/zinc/64/12/55/521641255.db2.gz COQFSLAZGAOZOJ-UHFFFAOYSA-N -1 3 487.670 3.479 50 0 JGAAHM CCN1CCN(Cc2ccc([N-]S(=O)(=O)c3ccc4c(c3)N(C(C)=O)CCCS4)cc2)CC1 ZINC000064952321 521689307 /nfs/dbraw/zinc/68/93/07/521689307.db2.gz RMNGZQCYGSZZQP-UHFFFAOYSA-N -1 3 488.679 3.474 50 0 JGAAHM CCc1nc(Cn2c(=O)oc3cc(S(=O)(=O)[N-]c4ccc(F)cc4Cl)ccc32)no1 ZINC000064946902 522375674 /nfs/dbraw/zinc/37/56/74/522375674.db2.gz FUJFPSSGAORLGS-UHFFFAOYSA-N -1 3 452.851 3.182 50 0 JGAAHM COC(=O)c1sccc1S(=O)(=O)[N-]CC1CCN(C(=O)c2cc3ccccc3o2)CC1 ZINC000043959357 522451025 /nfs/dbraw/zinc/45/10/25/522451025.db2.gz OWWWRWGZTXBTTN-UHFFFAOYSA-N -1 3 462.549 3.112 50 0 JGAAHM CCc1nnc(NC(=O)CSc2nnc(-c3cc(Br)ccc3[O-])n2C)s1 ZINC000002882945 522764056 /nfs/dbraw/zinc/76/40/56/522764056.db2.gz CGURLHCEWWNGLI-UHFFFAOYSA-N -1 3 455.363 3.095 50 0 JGAAHM COc1ccc(-c2nn3c(nnc3SCC(=O)Nc3cccc(Cl)c3C)[n-]c2=O)cc1 ZINC000016838810 523249092 /nfs/dbraw/zinc/24/90/92/523249092.db2.gz WDEAFZRODJMYHF-UHFFFAOYSA-N -1 3 456.915 3.181 50 0 JGAAHM COCCCNC(=O)c1ccc(OCc2nnc(C(=O)[N-]c3ccc(F)c(F)c3)s2)cc1 ZINC000033114359 523369230 /nfs/dbraw/zinc/36/92/30/523369230.db2.gz KHLYDTPHUPJYAM-UHFFFAOYSA-N -1 3 462.478 3.414 50 0 JGAAHM CC[C@H](C)NC(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000033034051 523997925 /nfs/dbraw/zinc/99/79/25/523997925.db2.gz OQFQVBSRRYCJQD-IBGZPJMESA-N -1 3 458.628 3.351 50 0 JGAAHM Cc1ccc(C)c(C(=O)N2CCC(c3nc4c(nnn4Cc4c(F)cccc4F)c(=O)[n-]3)CC2)c1 ZINC000020440390 524084599 /nfs/dbraw/zinc/08/45/99/524084599.db2.gz USFDEIHJDCYRNI-UHFFFAOYSA-N -1 3 478.503 3.478 50 0 JGAAHM COc1ccc(Cl)cc1S(=O)(=O)NCc1nnc(C(=O)[N-]c2ccc(F)cc2F)s1 ZINC000064991823 524250553 /nfs/dbraw/zinc/25/05/53/524250553.db2.gz AMXMEHRNFHONQK-UHFFFAOYSA-N -1 3 474.898 3.209 50 0 JGAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000064991560 524250613 /nfs/dbraw/zinc/25/06/13/524250613.db2.gz SRPQYXXOQRIYDI-UHFFFAOYSA-N -1 3 456.908 3.070 50 0 JGAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@H]3C(=O)NC[C@H]3CCCO3)c2)c(C)c1 ZINC000021662253 524326347 /nfs/dbraw/zinc/32/63/47/524326347.db2.gz LVZFRRKISRZMFQ-PKTZIBPZSA-N -1 3 499.633 3.312 50 0 JGAAHM Cc1cccc(CNC(=O)c2ccc(N3CCNCC3)c([N-]S(=O)(=O)c3ccccc3C)c2)c1 ZINC000033034373 524427027 /nfs/dbraw/zinc/42/70/27/524427027.db2.gz LRDFUWMTNOCSLY-UHFFFAOYSA-N -1 3 478.618 3.444 50 0 JGAAHM COc1ccc([C@H](C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)N2CCOCC2)cc1OC ZINC000014084637 525360842 /nfs/dbraw/zinc/36/08/42/525360842.db2.gz NHIWKOFQHCQYEW-SFHVURJKSA-N -1 3 475.394 3.362 50 0 JGAAHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCC(C)CC3)ccc2N2CCNCC2)cc1C ZINC000033033344 525591088 /nfs/dbraw/zinc/59/10/88/525591088.db2.gz TTXLPLNTUBJRGH-UHFFFAOYSA-N -1 3 470.639 3.386 50 0 JGAAHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCC[C@@H](C)C3)ccc2N2CCNCC2)cc1 ZINC000033033179 525592005 /nfs/dbraw/zinc/59/20/05/525592005.db2.gz UQNSGLCTKLUCCT-LJQANCHMSA-N -1 3 456.612 3.078 50 0 JGAAHM Cc1csc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)cn2CC(=O)N2CCOCC2)n1 ZINC000033307918 526301249 /nfs/dbraw/zinc/30/12/49/526301249.db2.gz SKDLJOCLKNAVOA-UHFFFAOYSA-N -1 3 498.989 3.372 50 0 JGAAHM O=C(Oc1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1)c1cccnc1 ZINC000033682915 526442283 /nfs/dbraw/zinc/44/22/83/526442283.db2.gz DJYSQTNLOXYJIU-YCRNBWNJSA-N -1 3 485.418 3.405 50 0 JGAAHM O=C(CC[N-]S(=O)(=O)c1ccc(Br)s1)NCCc1ccccc1Cl ZINC000008661384 526511812 /nfs/dbraw/zinc/51/18/12/526511812.db2.gz VOKWQBUWEXGMGU-UHFFFAOYSA-N -1 3 451.795 3.191 50 0 JGAAHM O=C(NCc1ccccc1F)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccccc2F)c1 ZINC000033034406 526752624 /nfs/dbraw/zinc/75/26/24/526752624.db2.gz IVZNXUIQBIPPMV-UHFFFAOYSA-N -1 3 486.544 3.105 50 0 JGAAHM Cc1sc(S(=O)(=O)N2CCSCC2)cc1[N-]C(=O)c1ccc(Br)o1 ZINC000033278835 526886032 /nfs/dbraw/zinc/88/60/32/526886032.db2.gz OIRHXTFVPZJDTM-UHFFFAOYSA-N -1 3 451.389 3.402 50 0 JGAAHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)NCc1ccccn1 ZINC000016475079 526967488 /nfs/dbraw/zinc/96/74/88/526967488.db2.gz OYWSNIDPPVLCSD-UHFFFAOYSA-N -1 3 476.352 3.340 50 0 JGAAHM O=C(CSc1nc2ccccc2s1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000026110228 527064154 /nfs/dbraw/zinc/06/41/54/527064154.db2.gz FVFCQXFAHKZKDK-UHFFFAOYSA-N -1 3 453.636 3.419 50 0 JGAAHM O=S(=O)([N-]CCn1c(-c2ccncc2)nc2cccnc21)c1ccc(Br)s1 ZINC000033252127 527220076 /nfs/dbraw/zinc/22/00/76/527220076.db2.gz RSFMXAKAQZYOMS-UHFFFAOYSA-N -1 3 464.370 3.296 50 0 JGAAHM O=S(=O)([N-]C[C@H](c1cccnc1)N1CCN(Cc2ccccc2)CC1)c1cc(F)ccc1F ZINC000022784458 527227182 /nfs/dbraw/zinc/22/71/82/527227182.db2.gz FYOAEYNORYAMFQ-HSZRJFAPSA-N -1 3 472.561 3.197 50 0 JGAAHM O=C(NCc1cccnc1)[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)c1ccccc1 ZINC000002469072 554224637 /nfs/dbraw/zinc/22/46/37/554224637.db2.gz NSQCFYDXUXCXED-QGZVFWFLSA-N -1 3 466.382 3.242 50 0 JGAAHM Cc1cc2c(nc(C)n([N-]C(=O)Cn3nc(C(F)(F)F)c(Br)c3C)c2=O)s1 ZINC000002780237 554341467 /nfs/dbraw/zinc/34/14/67/554341467.db2.gz FBIQCRQCJLQPII-UHFFFAOYSA-N -1 3 464.267 3.131 50 0 JGAAHM CCOc1cc(C2C(C(=O)OC)=CN(C(C)C)C=C2C(=O)OC)cc(Br)c1[O-] ZINC000002796828 554350706 /nfs/dbraw/zinc/35/07/06/554350706.db2.gz ADVPYLCCQOZQBE-UHFFFAOYSA-N -1 3 454.317 3.475 50 0 JGAAHM Cn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1cc(Br)ccc1[O-] ZINC000002885152 554406033 /nfs/dbraw/zinc/40/60/33/554406033.db2.gz CWAJLSSIWKZVFV-UHFFFAOYSA-N -1 3 463.313 3.410 50 0 JGAAHM CSCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NCCc1ccccn1 ZINC000006261667 554523174 /nfs/dbraw/zinc/52/31/74/554523174.db2.gz CBCFDVLWPYJERI-KRWDZBQOSA-N -1 3 462.424 3.147 50 0 JGAAHM Cc1ccc(CNC(=O)[C@@H]([N-]S(=O)(=O)c2cccc3nsnc32)c2ccccc2)cc1 ZINC000008828473 554718852 /nfs/dbraw/zinc/71/88/52/554718852.db2.gz MBWMIKAWWNNIQF-FQEVSTJZSA-N -1 3 452.561 3.336 50 0 JGAAHM O=C(COC(=O)CC[N-]S(=O)(=O)c1cccs1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000008880763 554776042 /nfs/dbraw/zinc/77/60/42/554776042.db2.gz ODORJMIAJIZPCW-UHFFFAOYSA-N -1 3 470.878 3.271 50 0 JGAAHM CN(c1ccc(OCC(=O)[N-]C2=NCCS2)cc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000008895094 554784708 /nfs/dbraw/zinc/78/47/08/554784708.db2.gz YUEVFOULCOLTLN-UHFFFAOYSA-N -1 3 455.561 3.263 50 0 JGAAHM O=C(Cn1[n-]c(=O)c2ccccc2c1=O)O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000009032388 554867359 /nfs/dbraw/zinc/86/73/59/554867359.db2.gz WYJGRTWBYUSOEM-XMMPIXPASA-N -1 3 453.454 3.339 50 0 JGAAHM COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2sccc2-c2ccccc2)c(=O)[n-]c1=O ZINC000009125784 554918383 /nfs/dbraw/zinc/91/83/83/554918383.db2.gz ZKLNXLLEHDDBQV-UHFFFAOYSA-N -1 3 476.558 3.341 50 0 JGAAHM CC(=O)N(c1nc(COC(=O)CC[N-]S(=O)(=O)c2cccs2)cs1)c1ccccc1 ZINC000009257534 555033770 /nfs/dbraw/zinc/03/37/70/555033770.db2.gz OXPURCJWVFCTSC-UHFFFAOYSA-N -1 3 465.578 3.301 50 0 JGAAHM 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ZINC000029646407 556354728 /nfs/dbraw/zinc/35/47/28/556354728.db2.gz BAMKFNDXLIYZGB-UHFFFAOYSA-N -1 3 451.932 3.055 50 0 JGAAHM Cc1cc(S(=O)(=O)[C@H](C[N-]S(=O)(=O)Cc2ccc(F)cc2)c2cccnc2)ccc1F ZINC000019797377 556375554 /nfs/dbraw/zinc/37/55/54/556375554.db2.gz HLQOLEVVHFCHEI-OAQYLSRUSA-N -1 3 466.531 3.303 50 0 JGAAHM Cc1cccc(CS(=O)(=O)[N-]C[C@@H](c2cccnc2)S(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC000019797372 556375584 /nfs/dbraw/zinc/37/55/84/556375584.db2.gz AZOACAZZCGTBRX-QFIPXVFZSA-N -1 3 462.568 3.472 50 0 JGAAHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)NCc3cccnc3-n3cccn3)c2)c1 ZINC000031226649 556394860 /nfs/dbraw/zinc/39/48/60/556394860.db2.gz JVXCMPDEMYRAGQ-UHFFFAOYSA-N -1 3 473.489 3.172 50 0 JGAAHM CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)c1 ZINC000031776340 556403883 /nfs/dbraw/zinc/40/38/83/556403883.db2.gz WEJWJOIOFRDPHP-UHFFFAOYSA-N -1 3 463.865 3.135 50 0 JGAAHM Cc1[nH]c2ccccc2c1[C@H](C(=O)[O-])N1CCN(CCNc2cc(=O)oc3ccccc23)CC1 ZINC000031810156 556406158 /nfs/dbraw/zinc/40/61/58/556406158.db2.gz HPROAQZXCUNKHB-RUZDIDTESA-N -1 3 460.534 3.438 50 0 JGAAHM O=C([O-])[C@@H](c1c[nH]c2cc(Br)ccc21)N1CCN(c2ncc(Br)cn2)CC1 ZINC000032093830 556415107 /nfs/dbraw/zinc/41/51/07/556415107.db2.gz SCSSWCATWGHHDR-MRXNPFEDSA-N -1 3 495.175 3.431 50 0 JGAAHM C[C@@H](OC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000032672089 556468579 /nfs/dbraw/zinc/46/85/79/556468579.db2.gz DROKMJPBYNPSIO-OAHLLOKOSA-N -1 3 492.981 3.378 50 0 JGAAHM CC(=O)N1CCc2cc(NC(=O)CSc3nc4c(cnn4-c4ccccc4)c(=O)[n-]3)ccc21 ZINC000032722842 556476185 /nfs/dbraw/zinc/47/61/85/556476185.db2.gz QLHIWJKFRBCYNG-UHFFFAOYSA-N -1 3 460.519 3.161 50 0 JGAAHM O=C(NCc1ccccc1OC(F)(F)F)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000032862927 556514857 /nfs/dbraw/zinc/51/48/57/556514857.db2.gz OSHLDJRNWUIHQJ-UHFFFAOYSA-N -1 3 463.503 3.299 50 0 JGAAHM O=C(CC[N-]S(=O)(=O)c1ccccc1C(F)(F)F)Nc1ccc(N2CCCCC2)nc1 ZINC000032883876 556522335 /nfs/dbraw/zinc/52/23/35/556522335.db2.gz 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JGAAHM CS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1n[n-]c(SCc2ccc(Cl)cc2)n1 ZINC000032988007 569609786 /nfs/dbraw/zinc/60/97/86/569609786.db2.gz ZABOEJOKEKZGQB-KRWDZBQOSA-N -1 3 477.999 3.075 50 0 JGAAHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@H](c3nc(-c4cccnc4)no3)C(C)C)cc(C(C)C)nc21 ZINC000062626049 569613615 /nfs/dbraw/zinc/61/36/15/569613615.db2.gz ZQAPMGRTSPJOLI-IBGZPJMESA-N -1 3 491.552 3.190 50 0 JGAAHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@@H](c3nc(-c4cccnc4)no3)C(C)C)cc(C(C)C)nc21 ZINC000062626046 569613652 /nfs/dbraw/zinc/61/36/52/569613652.db2.gz ZQAPMGRTSPJOLI-LJQANCHMSA-N -1 3 491.552 3.190 50 0 JGAAHM Cc1ccc(S(=O)(=O)[N-]c2cnc(N3CCNCC3)c(C(=O)NC3CCCCCC3)c2)cc1 ZINC000065025170 569650307 /nfs/dbraw/zinc/65/03/07/569650307.db2.gz AAVNJOINCFCNLD-UHFFFAOYSA-N -1 3 471.627 3.053 50 0 JGAAHM CC(C)NC(=O)c1cc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cnc1N1CCNCC1 ZINC000065025198 569650411 /nfs/dbraw/zinc/65/04/11/569650411.db2.gz JKKDYSGNENTYQX-UHFFFAOYSA-N -1 3 485.654 3.478 50 0 JGAAHM CC[C@@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cnc1N1CCNCC1 ZINC000065025274 569650530 /nfs/dbraw/zinc/65/05/30/569650530.db2.gz KPIFPMZUOMTHKU-QGZVFWFLSA-N -1 3 473.643 3.118 50 0 JGAAHM COc1cc([C@H]2[C@H](S(=O)(=O)[N-]Cc3ccccn3)CON2C)ccc1OCc1ccccc1 ZINC000034738929 569654670 /nfs/dbraw/zinc/65/46/70/569654670.db2.gz VBJWRZFOXMDIPD-RPWUZVMVSA-N -1 3 469.563 3.076 50 0 JGAAHM COCCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)nc1 ZINC000065063459 569656605 /nfs/dbraw/zinc/65/66/05/569656605.db2.gz HLAGTMWIOHCLTJ-UHFFFAOYSA-N -1 3 487.534 3.068 50 0 JGAAHM O=C(c1noc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3F)cc21)N1CCOCC1 ZINC000065115422 569665687 /nfs/dbraw/zinc/66/56/87/569665687.db2.gz KUJFGGIMXMGQAL-UHFFFAOYSA-N -1 3 484.303 3.003 50 0 JGAAHM COc1ccccc1CN1CCc2nc(SCC(=O)Nc3ccc(OC)c(OC)c3)[n-]c(=O)c2C1 ZINC000067291347 569685444 /nfs/dbraw/zinc/68/54/44/569685444.db2.gz PDQGWKJRNBZHLB-UHFFFAOYSA-N -1 3 496.589 3.497 50 0 JGAAHM Cc1cccc(OCC(=O)Nc2ccc(N3CCC(C(N)=O)(N4CCCCC4)CC3)cc2C(=O)[O-])c1 ZINC000035422708 569692896 /nfs/dbraw/zinc/69/28/96/569692896.db2.gz TZYRTYHRGVLJPT-UHFFFAOYSA-N -1 3 494.592 3.021 50 0 JGAAHM Cc1cccc(C(=O)Nc2ccc(N3CCC(C(N)=O)(N4CCCCC4)CC3)c(C(=O)[O-])c2)c1 ZINC000035450725 569696707 /nfs/dbraw/zinc/69/67/07/569696707.db2.gz SVULYZZFWBFIPQ-UHFFFAOYSA-N -1 3 464.566 3.256 50 0 JGAAHM CCn1c2ccc(-c3noc([C@H](C)[N-]S(=O)(=O)c4ccc(C)cc4)n3)cc2nc(C)c1=O ZINC000035553342 569702544 /nfs/dbraw/zinc/70/25/44/569702544.db2.gz WQWLCADQVHLAOI-AWEZNQCLSA-N -1 3 453.524 3.123 50 0 JGAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CN3C(=O)NC4(CCC(C)CC4)C3=O)cc2)cc1 ZINC000078958465 569706717 /nfs/dbraw/zinc/70/67/17/569706717.db2.gz VUYQASBJZIDICK-UHFFFAOYSA-N -1 3 484.578 3.235 50 0 JGAAHM COc1ccc(OC)c(NC(=O)C2CC(=O)Nc3nc(SCc4ccc(C)cc4)[n-]c(=O)c32)c1 ZINC000085736581 569715523 /nfs/dbraw/zinc/71/55/23/569715523.db2.gz NRDVOJMORNLENV-MRXNPFEDSA-N -1 3 480.546 3.452 50 0 JGAAHM CCc1cc2c(CN3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)cc(=O)oc2cc1[O-] ZINC000089283000 569718177 /nfs/dbraw/zinc/71/81/77/569718177.db2.gz JGWPHRFKRIOTOY-UHFFFAOYSA-N -1 3 462.955 3.221 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3CCC(=O)N2CCCCC2)cc1 ZINC000095851210 569729096 /nfs/dbraw/zinc/72/90/96/569729096.db2.gz IFGCNKGHEIUNKM-UHFFFAOYSA-N -1 3 475.592 3.275 50 0 JGAAHM C[C@H](CN1CCN(C[C@@H](c2ccc(F)cc2)N2CCOCC2)CC1)C(=O)c1ccc([O-])cc1 ZINC000095903340 569729427 /nfs/dbraw/zinc/72/94/27/569729427.db2.gz RAZZYFNQQDIKGG-NLFFAJNJSA-N -1 3 455.574 3.041 50 0 JGAAHM C[C@H](CN1CCN(C[C@H](c2ccc(F)cc2)N2CCOCC2)CC1)C(=O)c1ccc([O-])cc1 ZINC000095903344 569729449 /nfs/dbraw/zinc/72/94/49/569729449.db2.gz RAZZYFNQQDIKGG-CJFMBICVSA-N -1 3 455.574 3.041 50 0 JGAAHM COc1cc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)cc2c1OCCO2 ZINC000096223814 569739829 /nfs/dbraw/zinc/73/98/29/569739829.db2.gz UDGZDXHNEJXCPR-ORAYPTAESA-N -1 3 461.540 3.273 50 0 JGAAHM CCOC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000100078479 569752526 /nfs/dbraw/zinc/75/25/26/569752526.db2.gz GPRZUDZLBAQJKJ-NVXWUHKLSA-N -1 3 476.714 3.400 50 0 JGAAHM O=c1c(CN2CCN(c3ccccc3)CC2)coc([O-])c1CN1CCO[C@H](c2ccccc2)C1 ZINC000101374978 569794907 /nfs/dbraw/zinc/79/49/07/569794907.db2.gz QHECPXCNCGUOHY-VWLOTQADSA-N -1 3 461.562 3.241 50 0 JGAAHM O=c1occ(CN2CCN(c3ccccc3)CC2)c([O-])c1CN1CCO[C@H](c2ccccc2)C1 ZINC000101374978 569794909 /nfs/dbraw/zinc/79/49/09/569794909.db2.gz QHECPXCNCGUOHY-VWLOTQADSA-N -1 3 461.562 3.241 50 0 JGAAHM O=c1c(CN2CCN(c3ccc(F)cc3)CC2)coc([O-])c1CN1CCO[C@@H](c2ccccc2)C1 ZINC000101373793 569795099 /nfs/dbraw/zinc/79/50/99/569795099.db2.gz FQINUZILZURSPU-RUZDIDTESA-N -1 3 479.552 3.380 50 0 JGAAHM O=c1occ(CN2CCN(c3ccc(F)cc3)CC2)c([O-])c1CN1CCO[C@@H](c2ccccc2)C1 ZINC000101373793 569795100 /nfs/dbraw/zinc/79/51/00/569795100.db2.gz FQINUZILZURSPU-RUZDIDTESA-N -1 3 479.552 3.380 50 0 JGAAHM CCCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(Br)cc1)CC(=O)N2 ZINC000046074214 569843216 /nfs/dbraw/zinc/84/32/16/569843216.db2.gz DAXFNSVHWCTJOW-GFCCVEGCSA-N -1 3 451.346 3.489 50 0 JGAAHM COc1ccc(NC(=O)C2CC(=O)Nc3nc(SCc4cccc(C)c4)[n-]c(=O)c32)cc1 ZINC000046074888 569843797 /nfs/dbraw/zinc/84/37/97/569843797.db2.gz LTPSARLQLLJZFM-KRWDZBQOSA-N -1 3 450.520 3.444 50 0 JGAAHM COc1ccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccc(F)cc4)[n-]c(=O)c32)c(OC)c1 ZINC000046075458 569844345 /nfs/dbraw/zinc/84/43/45/569844345.db2.gz MNJYJCLLQNZTOC-HNNXBMFYSA-N -1 3 484.509 3.283 50 0 JGAAHM COc1ccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccc(F)cc4)[n-]c(=O)c32)c(OC)c1 ZINC000046075455 569844502 /nfs/dbraw/zinc/84/45/02/569844502.db2.gz MNJYJCLLQNZTOC-OAHLLOKOSA-N -1 3 484.509 3.283 50 0 JGAAHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](c2ccsc2)N(C)C)c(Br)c1 ZINC000048313056 569845712 /nfs/dbraw/zinc/84/57/12/569845712.db2.gz CIYAYTXMBBFWIL-HNNXBMFYSA-N -1 3 461.403 3.269 50 0 JGAAHM CCOc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)Nc2ccccc2C(=O)OC)cc1 ZINC000051316480 569850738 /nfs/dbraw/zinc/85/07/38/569850738.db2.gz YIINNQLLPIMOCE-UHFFFAOYSA-N -1 3 479.518 3.025 50 0 JGAAHM CCOc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)Nc2ccccc2C(=O)OC)cc1 ZINC000051316480 569850739 /nfs/dbraw/zinc/85/07/39/569850739.db2.gz YIINNQLLPIMOCE-UHFFFAOYSA-N -1 3 479.518 3.025 50 0 JGAAHM O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccc(F)c(F)c1)NCc1ccc(Cl)cc1 ZINC000051316831 569851358 /nfs/dbraw/zinc/85/13/58/569851358.db2.gz VKBLXGGZVUHZAH-UHFFFAOYSA-N -1 3 461.881 3.449 50 0 JGAAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccc(F)c(F)c1)NCc1ccc(Cl)cc1 ZINC000051316831 569851359 /nfs/dbraw/zinc/85/13/59/569851359.db2.gz VKBLXGGZVUHZAH-UHFFFAOYSA-N -1 3 461.881 3.449 50 0 JGAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C(=O)C3ON2c2ccccc2)ccc1O ZINC000137384951 569864918 /nfs/dbraw/zinc/86/49/18/569864918.db2.gz RMGGVRKIYNZARK-BHDDXSALSA-N -1 3 460.442 3.150 50 0 JGAAHM CCC[C@@H]1[C@@H]2C(=O)N(c3sc(C(=O)OCC)c(C)c3C(=O)OC)C([O-])=C2ON1c1ccccc1 ZINC000137586804 569865114 /nfs/dbraw/zinc/86/51/14/569865114.db2.gz BZRJBFDWPMQDDN-BPQIPLTHSA-N -1 3 486.546 3.498 50 0 JGAAHM O=c1c(CN2CCOCC2)coc([O-])c1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000252498149 570082164 /nfs/dbraw/zinc/08/21/64/570082164.db2.gz QVGGHDOVVKZGFB-UHFFFAOYSA-N -1 3 475.589 3.085 50 0 JGAAHM O=c1occ(CN2CCOCC2)c([O-])c1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000252498149 570082166 /nfs/dbraw/zinc/08/21/66/570082166.db2.gz QVGGHDOVVKZGFB-UHFFFAOYSA-N -1 3 475.589 3.085 50 0 JGAAHM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)S(C)(=O)=O)cc1 ZINC000001150618 194050456 /nfs/dbraw/zinc/05/04/56/194050456.db2.gz UQVMXKGHXYCPIF-UHFFFAOYSA-N -1 3 491.566 3.340 50 0 JGAAHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3[O-])c(=O)n2[C@@H]1c1ccccc1OC ZINC000001217174 194073197 /nfs/dbraw/zinc/07/31/97/194073197.db2.gz ZKBVAYCISRYKNE-JAORQVBISA-N -1 3 484.961 3.166 50 0 JGAAHM Cc1ccc(N2C(=O)N[C@@]([N-]S(=O)(=O)c3ccc(Cl)cc3)(C(F)(F)F)C2=O)cc1C ZINC000002422270 194160837 /nfs/dbraw/zinc/16/08/37/194160837.db2.gz JFGBXXSUVGIRIN-KRWDZBQOSA-N -1 3 461.849 3.455 50 0 JGAAHM CS(=O)(=O)c1ccc2nc([N-]C(=O)c3cc4c(nc5ccccn5c4=O)s3)sc2c1 ZINC000003213848 194240065 /nfs/dbraw/zinc/24/00/65/194240065.db2.gz IHWVOPCAJIJUSC-UHFFFAOYSA-N -1 3 456.530 3.175 50 0 JGAAHM NS(=O)(=O)c1cc2c(cc1Cl)N[C@H](c1cccc(Oc3ccccc3)c1)[N-]S2(=O)=O ZINC000003264652 194256264 /nfs/dbraw/zinc/25/62/64/194256264.db2.gz MUCVNSYKAFVKEB-IBGZPJMESA-N -1 3 465.940 3.182 50 0 JGAAHM Cc1ccc(Cl)c(NC(=O)COC(=O)C[N-]S(=O)(=O)/C=C/c2ccccc2)c1Cl ZINC000003296983 194270834 /nfs/dbraw/zinc/27/08/34/194270834.db2.gz SQEARIZIRGNLQE-MDZDMXLPSA-N -1 3 457.335 3.374 50 0 aggregator JGAAHM COc1ccc(OC)c(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC000009692486 194895958 /nfs/dbraw/zinc/89/59/58/194895958.db2.gz XRXDTEFHUOJVOC-LJQANCHMSA-N -1 3 498.586 3.237 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1ccccc1N(Cc1ccccc1OC(C)C)C2=O ZINC000009925790 195023985 /nfs/dbraw/zinc/02/39/85/195023985.db2.gz PYCQOXPOHXLSBP-QHCPKHFHSA-N -1 3 452.536 3.176 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1cccc(Cl)c1N(CCOc1ccc(C)cc1)C2=O ZINC000009872309 195006798 /nfs/dbraw/zinc/00/67/98/195006798.db2.gz USFCUMOOFSFZLC-JOCHJYFZSA-N -1 3 472.954 3.229 50 0 JGAAHM CCOc1ccccc1CN1C(=O)[C@@]2(SC([N-]C(C)=O)=NN2C(C)=O)c2cccc(Cl)c21 ZINC000009872424 195007017 /nfs/dbraw/zinc/00/70/17/195007017.db2.gz LKCZHZDFUHFQCQ-QFIPXVFZSA-N -1 3 472.954 3.441 50 0 JGAAHM O=C(CN1CCC(C(=O)Nc2ccccc2[O-])CC1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000012772154 195118498 /nfs/dbraw/zinc/11/84/98/195118498.db2.gz RFIURUBUXIWXOS-NRFANRHFSA-N -1 3 465.550 3.178 50 0 JGAAHM C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C(=O)NCCN1C[C@@H](C)O[C@H](C)C1 ZINC000012807181 195142354 /nfs/dbraw/zinc/14/23/54/195142354.db2.gz ADAHYFAXJWCJBE-BRWVUGGUSA-N -1 3 486.663 3.499 50 0 JGAAHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CCN3C(=O)c4ccccc4N4C(=O)CC[C@@]43C)cc2)n1 ZINC000058017040 195362767 /nfs/dbraw/zinc/36/27/67/195362767.db2.gz GGNVTWIEUSBFBH-AREMUKBSSA-N -1 3 471.517 3.073 50 0 JGAAHM Cc1cc(NC(=O)C2CCN(C(=O)C[C@@]([O-])(c3nc4ccccc4o3)C(F)(F)F)CC2)no1 ZINC000058312199 195376934 /nfs/dbraw/zinc/37/69/34/195376934.db2.gz BLFLPCZGZRMCRL-HXUWFJFHSA-N -1 3 466.416 3.142 50 0 JGAAHM CC(C)[C@@H]([N-]S(=O)(=O)/C=C\c1ccccc1)C(=O)OCC(=O)Nc1ccc2c(c1)CCC2 ZINC000096504048 130111730 /nfs/dbraw/zinc/11/17/30/130111730.db2.gz QXWMKFJXTCHBPW-OILJVOJPSA-N -1 3 456.564 3.272 50 0 JGAAHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCCN4CCOCC4)CC3)cc2)cc1 ZINC000033115503 519045595 /nfs/dbraw/zinc/04/55/95/519045595.db2.gz VAIWIKCQDDEGMA-UHFFFAOYSA-N -1 3 485.650 3.265 50 0 JGAAHM CC(C)CNC(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1 ZINC000033034331 519741465 /nfs/dbraw/zinc/74/14/65/519741465.db2.gz HNPDRXJKEJBXKZ-UHFFFAOYSA-N -1 3 472.655 3.481 50 0 JGAAHM CC(C)CNC(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000033034329 519741571 /nfs/dbraw/zinc/74/15/71/519741571.db2.gz FASATMKQFWELJF-UHFFFAOYSA-N -1 3 458.628 3.406 50 0 JGAAHM CC(C)c1ccc(S(=O)(=O)[N-]c2cnc(N3CCNCC3)c(C(=O)N3CCCC[C@@H]3C)c2)cc1 ZINC000035513999 519838702 /nfs/dbraw/zinc/83/87/02/519838702.db2.gz PWMORVZLBYINJN-IBGZPJMESA-N -1 3 485.654 3.430 50 0 JGAAHM CC(C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCCC3)ccc2N2CCNCC2)cc1 ZINC000033033379 519838805 /nfs/dbraw/zinc/83/88/05/519838805.db2.gz FAYOWEHNHPVRFY-UHFFFAOYSA-N -1 3 456.612 3.256 50 0 JGAAHM CC(C)c1ccc(S(=O)(=O)[N-]c2cnc(N3CCNCC3)c(C(=O)N3CCCC[C@H]3C)c2)cc1 ZINC000035513997 519838818 /nfs/dbraw/zinc/83/88/18/519838818.db2.gz PWMORVZLBYINJN-LJQANCHMSA-N -1 3 485.654 3.430 50 0 JGAAHM CCCCN(C)C(=O)c1cnc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1 ZINC000046149878 520394655 /nfs/dbraw/zinc/39/46/55/520394655.db2.gz RDTFXGABRWRRJO-UHFFFAOYSA-N -1 3 487.670 3.363 50 0 JGAAHM CCCCS(=O)(=O)c1cc2c(cc1[N-]C(=O)c1ccc(Br)o1)n(C)c(=O)n2C ZINC000046146169 520942675 /nfs/dbraw/zinc/94/26/75/520942675.db2.gz PRXUEOLZHZBKAT-UHFFFAOYSA-N -1 3 470.345 3.059 50 0 JGAAHM CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cccc(S(=O)(=O)[N-]CC(F)(F)F)c1 ZINC000021708586 521325371 /nfs/dbraw/zinc/32/53/71/521325371.db2.gz DZVXCAHSIATYAS-UHFFFAOYSA-N -1 3 460.474 3.207 50 0 JGAAHM CCN1CCN(C(=O)c2ccc(OCc3nnc(C(=O)[N-]c4ccc(F)cc4F)s3)cc2)CC1 ZINC000033114340 521669772 /nfs/dbraw/zinc/66/97/72/521669772.db2.gz GQNXEOIASHDLJS-UHFFFAOYSA-N -1 3 487.532 3.425 50 0 JGAAHM COc1ccc(-c2nc3scc(CC[N-]S(=O)(=O)c4ccc(F)cc4F)n3n2)cc1OC ZINC000008601525 523237334 /nfs/dbraw/zinc/23/73/34/523237334.db2.gz JXFMDTDLOQTZLS-UHFFFAOYSA-N -1 3 480.518 3.274 50 0 JGAAHM COCCCN1CCc2nc(SCC(=O)Nc3ccc(Br)cc3)[n-]c(=O)c2C1 ZINC000020467818 523306075 /nfs/dbraw/zinc/30/60/75/523306075.db2.gz AHTNBFAFTMSVAJ-UHFFFAOYSA-N -1 3 467.389 3.070 50 0 JGAAHM COCC[N-]S(=O)(=O)c1ccc(-c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)s1 ZINC000064999727 523959943 /nfs/dbraw/zinc/95/99/43/523959943.db2.gz XNUAECYRELAACZ-UHFFFAOYSA-N -1 3 474.560 3.363 50 0 JGAAHM CC[C@H](C)NC(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000033033927 523997588 /nfs/dbraw/zinc/99/75/88/523997588.db2.gz OALHMQIQVDYINJ-HNNXBMFYSA-N -1 3 495.443 3.188 50 0 JGAAHM COc1ccc(Cc2nn3c(nnc3SCC(=O)Nc3ccc(Cl)cc3)[n-]c2=O)cc1 ZINC000016838818 524165590 /nfs/dbraw/zinc/16/55/90/524165590.db2.gz ZBCWGUCVCLNZQZ-UHFFFAOYSA-N -1 3 456.915 3.209 50 0 JGAAHM COc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc([O-])c(I)c1 ZINC000016448129 524585658 /nfs/dbraw/zinc/58/56/58/524585658.db2.gz LQMDJVJZZZEZFS-KRWDZBQOSA-N -1 3 495.342 3.437 50 0 JGAAHM COc1ccccc1NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000008596490 524620272 /nfs/dbraw/zinc/62/02/72/524620272.db2.gz JSMXRGLBMKKXST-GOSISDBHSA-N -1 3 468.560 3.228 50 0 JGAAHM COc1ccc(NC(=O)c2nnc(C[N-]S(=O)(=O)c3ccc(Br)cc3)s2)cc1 ZINC000064991616 524658685 /nfs/dbraw/zinc/65/86/85/524658685.db2.gz PVDONYBRZFXOHJ-UHFFFAOYSA-N -1 3 483.369 3.040 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2cc(-c3c(C)nn4c3NC(=O)CCC4=O)ccc2C)cc1 ZINC000033122998 524686201 /nfs/dbraw/zinc/68/62/01/524686201.db2.gz GLSYLIRAGHIUIF-UHFFFAOYSA-N -1 3 454.508 3.349 50 0 JGAAHM COc1ccc(S(=O)(=O)N2CCc3nc(Cc4cccc(C(F)(F)F)c4)[n-]c(=O)c3C2)cc1 ZINC000004172428 525045572 /nfs/dbraw/zinc/04/55/72/525045572.db2.gz JVWDRCLDWQQRKX-UHFFFAOYSA-N -1 3 479.480 3.135 50 0 JGAAHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)NCc1ccc2c(c1)OCO2 ZINC000009426730 525421460 /nfs/dbraw/zinc/42/14/60/525421460.db2.gz MJVOURYBOMDMSX-UHFFFAOYSA-N -1 3 472.494 3.359 50 0 JGAAHM CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)OCc1cc(=O)oc2cc(C)ccc12 ZINC000016051049 525555770 /nfs/dbraw/zinc/55/57/70/525555770.db2.gz LRPAYLRIZCULCD-GOSISDBHSA-N -1 3 479.551 3.384 50 0 JGAAHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCC(C)CC3)ccc2N2CCNCC2)cc1 ZINC000033033162 525591565 /nfs/dbraw/zinc/59/15/65/525591565.db2.gz LXCWLSUIJGEVSP-UHFFFAOYSA-N -1 3 456.612 3.078 50 0 JGAAHM C[C@H]1CCCN(C(=O)c2ccc(N3CCNCC3)c([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)C1 ZINC000033033094 526267137 /nfs/dbraw/zinc/26/71/37/526267137.db2.gz DAIWWGPWANKOIZ-KRWDZBQOSA-N -1 3 477.030 3.423 50 0 JGAAHM Cc1nc(Cn2c3ccc(S(=O)(=O)[N-]c4ccc(C)cc4Br)cc3oc2=O)no1 ZINC000064946848 526943338 /nfs/dbraw/zinc/94/33/38/526943338.db2.gz ZPUMLRWXUUEDOO-UHFFFAOYSA-N -1 3 479.312 3.206 50 0 JGAAHM O=C(CSc1nc2[nH]cnc2c(=O)[n-]1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000033027531 527056710 /nfs/dbraw/zinc/05/67/10/527056710.db2.gz VVDFYDIEJMANIB-UHFFFAOYSA-N -1 3 460.563 3.084 50 0 JGAAHM O=C(Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000016500684 527255215 /nfs/dbraw/zinc/25/52/15/527255215.db2.gz XVGLSWRNJXOZEP-HNNXBMFYSA-N -1 3 484.500 3.410 50 0 JGAAHM O=C(Nc1ccccc1)c1nnc(C[N-]S(=O)(=O)c2ccc(Br)cc2)s1 ZINC000064991668 527402239 /nfs/dbraw/zinc/40/22/39/527402239.db2.gz LRHBOAMYEFMOCD-UHFFFAOYSA-N -1 3 453.343 3.031 50 0 JGAAHM O=C([N-]c1ccccc1F)c1nnc(COc2ccc(C(=O)NC[C@H]3CCCO3)cc2)s1 ZINC000033114315 527422801 /nfs/dbraw/zinc/42/28/01/527422801.db2.gz MBGSRJHEEGISQM-MRXNPFEDSA-N -1 3 456.499 3.417 50 0 JGAAHM COc1ccc(CCN2C(=O)[N-][C@@](NC(=O)c3ccc(Cl)cc3)(C(F)(F)F)C2=O)cc1OC ZINC000002264293 554124093 /nfs/dbraw/zinc/12/40/93/554124093.db2.gz VFGJKCUTPUXLCK-HXUWFJFHSA-N -1 3 485.846 3.140 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1cc(Br)ccc1N(CCc1ccccc1)C2=O ZINC000002453702 554220862 /nfs/dbraw/zinc/22/08/62/554220862.db2.gz VLVHEZIRGYIHAV-OAQYLSRUSA-N -1 3 487.379 3.194 50 0 JGAAHM O=C(CSc1nc2c(cnn2-c2ccc(F)cc2)c(=O)[n-]1)Nc1ccc2c(c1)OCCO2 ZINC000002457641 554222638 /nfs/dbraw/zinc/22/26/38/554222638.db2.gz JVFBLXTUMNWGQW-UHFFFAOYSA-N -1 3 453.455 3.162 50 0 JGAAHM O=C(NC1CCCC1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000002469171 554224583 /nfs/dbraw/zinc/22/45/83/554224583.db2.gz QSNJJPSMXWCVRX-HNNXBMFYSA-N -1 3 457.415 3.459 50 0 JGAAHM CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nnc([N-]c3ccccc3F)s2)cc1 ZINC000002618495 554243036 /nfs/dbraw/zinc/24/30/36/554243036.db2.gz MTRZMXNQFNBATQ-UHFFFAOYSA-N -1 3 467.573 3.402 50 0 JGAAHM COc1ccccc1N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]Cc3ccco3)c2)CC1 ZINC000002650076 554266043 /nfs/dbraw/zinc/26/60/43/554266043.db2.gz PCUNCOIBDCFEGQ-UHFFFAOYSA-N -1 3 489.981 3.383 50 0 JGAAHM Cc1ccc(-n2ncc3c2nc(SCC(=O)Nc2ccc4c(c2)OCCO4)[n-]c3=O)cc1C ZINC000002718071 554303140 /nfs/dbraw/zinc/30/31/40/554303140.db2.gz OQUOMZSEANPGSU-UHFFFAOYSA-N -1 3 463.519 3.228 50 0 JGAAHM COc1ccc(-c2nnc([N-]C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)o2)c(OC)c1 ZINC000002723512 554309545 /nfs/dbraw/zinc/30/95/45/554309545.db2.gz AFLTXIGCQLIWDI-UHFFFAOYSA-N -1 3 472.523 3.181 50 0 JGAAHM CCOCCCNC(=O)c1cnc2ccc(S(=O)(=O)N(C)c3ccc(Cl)cc3F)cc2c1[O-] ZINC000006181161 554515520 /nfs/dbraw/zinc/51/55/20/554515520.db2.gz SLFLELSIAHVQKF-UHFFFAOYSA-N -1 3 495.960 3.302 50 0 JGAAHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N2CCN(C)CC2)cc1 ZINC000006183004 554515978 /nfs/dbraw/zinc/51/59/78/554515978.db2.gz HCGKKBJFBZSZDY-UHFFFAOYSA-N -1 3 456.490 3.216 50 0 JGAAHM COc1ccc(Cn2nnc3c2nc(C2CCN(C(=O)c4ccccc4Cl)CC2)[n-]c3=O)cc1 ZINC000008772810 554672599 /nfs/dbraw/zinc/67/25/99/554672599.db2.gz WVLKWEDRVURCNW-UHFFFAOYSA-N -1 3 478.940 3.245 50 0 JGAAHM NC(=O)c1c([N-]C(=O)c2nc(S(=O)(=O)Cc3ccccc3)ncc2Cl)sc2c1CCCC2 ZINC000008917175 554812079 /nfs/dbraw/zinc/81/20/79/554812079.db2.gz CMEXPMDYIGUNSR-UHFFFAOYSA-N -1 3 490.994 3.395 50 0 JGAAHM COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)cc(I)c1[O-] ZINC000008919594 554816226 /nfs/dbraw/zinc/81/62/26/554816226.db2.gz KPHSPVFYASEKQB-HNNXBMFYSA-N -1 3 471.320 3.484 50 0 JGAAHM Cc1cccc(-n2ncc3c2nc(SCC(=O)N2CCN(c4ccccc4)CC2)[n-]c3=O)c1 ZINC000009018904 554866789 /nfs/dbraw/zinc/86/67/89/554866789.db2.gz CASQVVUKHNJFHG-UHFFFAOYSA-N -1 3 460.563 3.270 50 0 JGAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C(=O)C3ON2c2ccccc2)ccc1O ZINC000009075850 554886934 /nfs/dbraw/zinc/88/69/34/554886934.db2.gz RMGGVRKIYNZARK-BDTNDASRSA-N -1 3 460.442 3.150 50 0 JGAAHM CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(CC)C(=S)N2[N-]C(=O)c2ccccc2F)cc1 ZINC000009075846 554886967 /nfs/dbraw/zinc/88/69/67/554886967.db2.gz HSYPPANHHJQONX-LJQANCHMSA-N -1 3 472.542 3.106 50 0 JGAAHM COc1cc(Cl)c([N-]S(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)cc2)c(OC)c1 ZINC000009211566 554981562 /nfs/dbraw/zinc/98/15/62/554981562.db2.gz IBCBUQHBFMPZOB-UHFFFAOYSA-N -1 3 487.921 3.349 50 0 JGAAHM Cc1cccc(OCC(=O)N2CCC(c3nc4c(nnn4Cc4cccc(F)c4)c(=O)[n-]3)CC2)c1 ZINC000009250561 555023981 /nfs/dbraw/zinc/02/39/81/555023981.db2.gz AXAMNZJLDIFESD-UHFFFAOYSA-N -1 3 476.512 3.208 50 0 JGAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CN(C)S(=O)(=O)c3cccs3)cc2)cc1 ZINC000009319829 555094485 /nfs/dbraw/zinc/09/44/85/555094485.db2.gz YPVKOFPKFVRINW-UHFFFAOYSA-N -1 3 479.605 3.117 50 0 JGAAHM Cn1c(CNC(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)nc2ccccc21 ZINC000009337975 555105715 /nfs/dbraw/zinc/10/57/15/555105715.db2.gz AEGMESSLWWUYBD-UHFFFAOYSA-N -1 3 453.351 3.251 50 0 JGAAHM O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccnc2)c1 ZINC000009379244 555141319 /nfs/dbraw/zinc/14/13/19/555141319.db2.gz NQEXUGKYVYKJKI-HXUWFJFHSA-N -1 3 488.997 3.373 50 0 JGAAHM COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C(=O)N2[N-]C(=O)c2ccncc2)cc1 ZINC000009428502 555194223 /nfs/dbraw/zinc/19/42/23/555194223.db2.gz WELXTRBZUVBQIU-FQEVSTJZSA-N -1 3 493.907 3.255 50 0 JGAAHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)ccc1Cl ZINC000009448775 555221626 /nfs/dbraw/zinc/22/16/26/555221626.db2.gz JFOGCMKENOYYRE-UHFFFAOYSA-N -1 3 493.994 3.326 50 0 JGAAHM CCOc1cc2c(cc1CNC(=O)c1ccccc1SC[C@@]1(C)NC(=O)[N-]C1=O)O[C@@H](C)C2 ZINC000009460302 555227936 /nfs/dbraw/zinc/22/79/36/555227936.db2.gz HJLBFLDTRPROIE-LFPIHBKWSA-N -1 3 469.563 3.029 50 0 JGAAHM O=C(NCCc1ccc2c(c1)OCCO2)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000009516487 555308304 /nfs/dbraw/zinc/30/83/04/555308304.db2.gz LKVOKAPCKSCMPN-UHFFFAOYSA-N -1 3 471.362 3.178 50 0 JGAAHM COc1ccc(Br)cc1CNC(=O)[C@@H]([N-]S(=O)(=O)c1cccs1)C(C)C ZINC000009528463 555322564 /nfs/dbraw/zinc/32/25/64/555322564.db2.gz NABIOWPNCIXFRP-INIZCTEOSA-N -1 3 461.403 3.139 50 0 JGAAHM CCN(CC)S(=O)(=O)c1ccc([O-])c(C(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000009562283 555362452 /nfs/dbraw/zinc/36/24/52/555362452.db2.gz DTZCKVUONCWFFC-UHFFFAOYSA-N -1 3 490.456 3.117 50 0 JGAAHM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(N2CCOCC2)c(NC(=S)NC2CC2)c1 ZINC000009662297 555367844 /nfs/dbraw/zinc/36/78/44/555367844.db2.gz WTTKBPKCHJRLQD-UHFFFAOYSA-N -1 3 467.016 3.426 50 0 JGAAHM O=C(COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccc(Cl)cc2Cl)C1)c1ccc(F)cc1 ZINC000009591209 555404694 /nfs/dbraw/zinc/40/46/94/555404694.db2.gz OUVARBVRCZJGAT-GFCCVEGCSA-N -1 3 453.253 3.052 50 0 JGAAHM O=C(COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccccc2Cl)C1)c1ccc(Br)cc1 ZINC000009591248 555404730 /nfs/dbraw/zinc/40/47/30/555404730.db2.gz JNOAYMZSPIFMKZ-CYBMUJFWSA-N -1 3 479.714 3.022 50 0 JGAAHM O=C(NC1CCCCCC1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000009692395 555419312 /nfs/dbraw/zinc/41/93/12/555419312.db2.gz ACLQWWVGOVMKHB-IBGZPJMESA-N -1 3 458.609 3.420 50 0 JGAAHM CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccccc3Cl)o2)cc1 ZINC000009599614 555420085 /nfs/dbraw/zinc/42/00/85/555420085.db2.gz MOFKDHYPSVJFQA-OAHLLOKOSA-N -1 3 476.942 3.442 50 0 JGAAHM Cc1cccc(N2CCN(C(=O)[C@H]([N-]S(=O)(=O)c3cccc4nsnc43)C(C)C)C[C@@H]2C)c1 ZINC000009694083 555424341 /nfs/dbraw/zinc/42/43/41/555424341.db2.gz XOZVDNPHQGMTJV-LAUBAEHRSA-N -1 3 487.651 3.040 50 0 JGAAHM COc1ccc(NC(=O)[C@@H]([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)cc1OC ZINC000009610525 555441106 /nfs/dbraw/zinc/44/11/06/555441106.db2.gz DCFXVJGTUXNVIK-DEOSSOPVSA-N -1 3 495.557 3.247 50 0 JGAAHM Cc1ccc(CNC(=O)[C@H]([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)cc1 ZINC000009610564 555441323 /nfs/dbraw/zinc/44/13/23/555441323.db2.gz XTSGHOOHODVFJP-XMMPIXPASA-N -1 3 463.559 3.216 50 0 JGAAHM O=C([N-]c1nnc(SCc2ccccc2)s1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000009632202 555462813 /nfs/dbraw/zinc/46/28/13/555462813.db2.gz NIABFJZRRGOZEB-UHFFFAOYSA-N -1 3 494.595 3.243 50 0 JGAAHM COc1ccc(F)cc1S(=O)(=O)[N-]C[C@H](c1ccco1)S(=O)(=O)c1ccc(C)cc1 ZINC000009740619 555471816 /nfs/dbraw/zinc/47/18/16/555471816.db2.gz DBLZZFAYANSHKD-HXUWFJFHSA-N -1 3 453.513 3.229 50 0 JGAAHM CN(C)C[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1)c1ccccc1 ZINC000009795285 555512899 /nfs/dbraw/zinc/51/28/99/555512899.db2.gz YOAIOMYADYARGB-OAQYLSRUSA-N -1 3 467.547 3.249 50 0 JGAAHM COc1ccc(Br)c(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c1 ZINC000009853559 555555137 /nfs/dbraw/zinc/55/51/37/555555137.db2.gz DVOPKIICOUQABE-UHFFFAOYSA-N -1 3 459.387 3.102 50 0 JGAAHM C[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)C1=O ZINC000010021617 555596776 /nfs/dbraw/zinc/59/67/76/555596776.db2.gz BGWSNHAMJSUEJG-OAQYLSRUSA-N -1 3 475.885 3.349 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1cccc(C)c1N(CCCOc1ccc(C)cc1)C2=O ZINC000010335573 555690353 /nfs/dbraw/zinc/69/03/53/555690353.db2.gz PZFVVPCMHXDJRS-DEOSSOPVSA-N -1 3 466.563 3.274 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1cccc(C)c1N(CCOc1ccccc1Cl)C2=O ZINC000010335523 555690491 /nfs/dbraw/zinc/69/04/91/555690491.db2.gz ODMUHAKSJURVQI-JOCHJYFZSA-N -1 3 472.954 3.229 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1cc(Cl)ccc1N(CCOc1ccc(C)cc1)C2=O ZINC000010335718 555690605 /nfs/dbraw/zinc/69/06/05/555690605.db2.gz OLHXGETXLJKJGU-JOCHJYFZSA-N -1 3 472.954 3.229 50 0 JGAAHM Cc1cnc(NC(=O)CC[N-]S(=O)(=O)c2cc(Br)ccc2Br)s1 ZINC000010556085 555726635 /nfs/dbraw/zinc/72/66/35/555726635.db2.gz YANPWEDJUVBOMF-UHFFFAOYSA-N -1 3 483.207 3.284 50 0 JGAAHM C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccc3nsnc32)C1 ZINC000020235628 555728344 /nfs/dbraw/zinc/72/83/44/555728344.db2.gz YDASVKPMJXOUAV-GPMSIDNRSA-N -1 3 458.609 3.085 50 0 JGAAHM O=C(CCc1ncc(-c2ccccc2F)o1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000010668967 555731346 /nfs/dbraw/zinc/73/13/46/555731346.db2.gz ZCMWWISCPWFFNS-UHFFFAOYSA-N -1 3 463.556 3.444 50 0 JGAAHM Cc1ccc(C)c(OC[C@H](O)CSc2nc(C3CC3)nc3c2c(=O)[n-]c(=O)n3C2CC2)c1C ZINC000014202334 555733809 /nfs/dbraw/zinc/73/38/09/555733809.db2.gz KAQIJGNUPHLPFI-KRWDZBQOSA-N -1 3 468.579 3.149 50 0 JGAAHM COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)[N-]c2cc(C)no2)cc1 ZINC000011002524 555752309 /nfs/dbraw/zinc/75/23/09/555752309.db2.gz IIPZEHXYAXPWCY-HNNXBMFYSA-N -1 3 473.507 3.001 50 0 JGAAHM O=C(Cn1[n-]c(=O)c2ccccc2c1=O)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000011168829 555764636 /nfs/dbraw/zinc/76/46/36/555764636.db2.gz VOYNUOUDUUAHGP-UHFFFAOYSA-N -1 3 454.280 3.029 50 0 JGAAHM CSCC[C@@H](C(=O)OCc1cc(=O)oc2c(C)c([O-])ccc12)N1C(=O)c2ccccc2C1=O ZINC000011405456 555777905 /nfs/dbraw/zinc/77/79/05/555777905.db2.gz LLHITCJPZKXCFF-SFHVURJKSA-N -1 3 467.499 3.268 50 0 JGAAHM C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011718269 555805627 /nfs/dbraw/zinc/80/56/27/555805627.db2.gz ZGTSCLQJHLIHAG-ZDUSSCGKSA-N -1 3 472.430 3.281 50 0 JGAAHM Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)[N-]c1ccc(N2CCC(C)CC2)cc1 ZINC000011858162 555837811 /nfs/dbraw/zinc/83/78/11/555837811.db2.gz QIHIORYIXDSUBY-UHFFFAOYSA-N -1 3 491.635 3.407 50 0 JGAAHM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1c(C)cc(N2C(=O)CCS2(=O)=O)cc1C ZINC000011906451 555854232 /nfs/dbraw/zinc/85/42/32/555854232.db2.gz DBXZQWCMEHYZCI-UHFFFAOYSA-N -1 3 487.397 3.242 50 0 JGAAHM COc1cc([N-]S(=O)(=O)c2c(C)cc(N3CCCCS3(=O)=O)cc2C)cc(OC)c1OC ZINC000011906634 555854520 /nfs/dbraw/zinc/85/45/20/555854520.db2.gz WOAGGAPYLZVRBU-UHFFFAOYSA-N -1 3 484.596 3.060 50 0 JGAAHM CS(=O)(=O)[N-]c1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000015082420 555873629 /nfs/dbraw/zinc/87/36/29/555873629.db2.gz UYZXMBMAZAKWMW-XMMPIXPASA-N -1 3 468.506 3.205 50 0 JGAAHM CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000012139984 555916509 /nfs/dbraw/zinc/91/65/09/555916509.db2.gz PKLKSLWGTUJTFR-UHFFFAOYSA-N -1 3 457.552 3.125 50 0 JGAAHM O=C(Oc1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1)c1cccnc1 ZINC000015634648 555920777 /nfs/dbraw/zinc/92/07/77/555920777.db2.gz DJYSQTNLOXYJIU-DNVFCKCGSA-N -1 3 485.418 3.405 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)S1 ZINC000015832921 556017971 /nfs/dbraw/zinc/01/79/71/556017971.db2.gz LXHRVPWDLSPAFX-KRWDZBQOSA-N -1 3 453.929 3.109 50 0 JGAAHM COc1cc([C@@H]2SC([N-]C(C)=O)=NN2C(C)=O)cc(Br)c1OC(=O)c1ccco1 ZINC000015832907 556018077 /nfs/dbraw/zinc/01/80/77/556018077.db2.gz UBVSAPUVLMDDIT-INIZCTEOSA-N -1 3 482.312 3.271 50 0 JGAAHM CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2cc(Br)ccc2OC)CC1 ZINC000012552011 556034223 /nfs/dbraw/zinc/03/42/23/556034223.db2.gz ZDYQRWOCXRHTCL-UHFFFAOYSA-N -1 3 454.390 3.400 50 0 JGAAHM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@@H](CC(C)C)N3CCOCC3)c2)cc1 ZINC000012560548 556052673 /nfs/dbraw/zinc/05/26/73/556052673.db2.gz ANEQLWLKODUGMG-JOCHJYFZSA-N -1 3 489.638 3.363 50 0 JGAAHM COc1ccc(Cc2nn3c(nnc3SCC(=O)Nc3c(C)cccc3C)[n-]c2=O)cc1 ZINC000015882082 556054762 /nfs/dbraw/zinc/05/47/62/556054762.db2.gz HCTKFKWYNJHVJD-UHFFFAOYSA-N -1 3 450.524 3.172 50 0 JGAAHM Cc1ccc(S(=O)(=O)N2CCC([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000012922889 556141618 /nfs/dbraw/zinc/14/16/18/556141618.db2.gz SVIMSXLVYKODBJ-UHFFFAOYSA-N -1 3 463.408 3.433 50 0 JGAAHM O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000012931955 556148403 /nfs/dbraw/zinc/14/84/03/556148403.db2.gz DELVLRRGVIFLAI-INIZCTEOSA-N -1 3 486.040 3.174 50 0 JGAAHM Cc1cc(C)c2c(n1)nc(S[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C)[n-]c2=O ZINC000024754745 556150029 /nfs/dbraw/zinc/15/00/29/556150029.db2.gz XVFIRUSCUBPQNT-CQSZACIVSA-N -1 3 475.596 3.025 50 0 JGAAHM O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000012936943 556151828 /nfs/dbraw/zinc/15/18/28/556151828.db2.gz MWXLSOLNJCMOSO-MRXNPFEDSA-N -1 3 468.406 3.438 50 0 JGAAHM 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CCN(CC(=O)NCc1cccs1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000012999533 556192165 /nfs/dbraw/zinc/19/21/65/556192165.db2.gz WJKVIRPQUHCLPF-UHFFFAOYSA-N -1 3 475.567 3.467 50 0 JGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(N4CCOCC4)n3)cc2)cc1OC ZINC000017013688 556203493 /nfs/dbraw/zinc/20/34/93/556203493.db2.gz UCJLSMSZNBDSTE-UHFFFAOYSA-N -1 3 485.566 3.183 50 0 JGAAHM O=C(CSc1nnc(Cc2cc(=O)[n-]c(=O)[nH]2)n1-c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000017155400 556228295 /nfs/dbraw/zinc/22/82/95/556228295.db2.gz ZAHOHMWNLBPGPX-UHFFFAOYSA-N -1 3 471.901 3.002 50 0 JGAAHM O=C(CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[n-]1)NCc1ccc2c(c1)OCO2 ZINC000017169474 556230818 /nfs/dbraw/zinc/23/08/18/556230818.db2.gz RERQOQCNOUDOFA-UHFFFAOYSA-N -1 3 469.910 3.312 50 0 JGAAHM CCOc1ccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCc2ccc(F)cc2)cc1 ZINC000017315278 556257083 /nfs/dbraw/zinc/25/70/83/556257083.db2.gz QXWZXEQMJKXBHN-UHFFFAOYSA-N -1 3 453.499 3.065 50 0 JGAAHM CCOC(=O)c1c([N-]C(=O)COC(=O)CSc2ncnc3sccc32)oc(C)c1C(C)=O 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UNXDAPGZPFBNLV-UHFFFAOYSA-N -1 3 487.423 3.322 50 0 JGAAHM COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1c([O-])[nH]c(=O)n([C@@H](C)CCc2ccccc2)c1=O ZINC000020758004 195216911 /nfs/dbraw/zinc/21/69/11/195216911.db2.gz GTPZVCBYYMPSOY-NPMXOYFQSA-N -1 3 460.534 3.161 50 0 biogenic JGAAHM COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1c(=O)[nH]c(=O)n([C@@H](C)CCc2ccccc2)c1[O-] ZINC000020758004 195216914 /nfs/dbraw/zinc/21/69/14/195216914.db2.gz GTPZVCBYYMPSOY-NPMXOYFQSA-N -1 3 460.534 3.161 50 0 biogenic JGAAHM O=c1ccc(-c2ccc(S(=O)(=O)[N-]CC3CCN(Cc4cccc(Cl)c4)CC3)s2)n[nH]1 ZINC000020985033 195260475 /nfs/dbraw/zinc/26/04/75/195260475.db2.gz XFJQLPPROUCZBK-UHFFFAOYSA-N -1 3 479.027 3.342 50 0 JGAAHM CCOc1nn(CC)cc1C(=O)[N-]c1nnc(SCC(=O)Nc2ccccc2F)s1 ZINC000021011453 195266596 /nfs/dbraw/zinc/26/65/96/195266596.db2.gz NLFLPRZSCAHEPG-UHFFFAOYSA-N -1 3 450.521 3.275 50 0 JGAAHM Cc1ccc([N-]S(=O)(=O)[C@@H]2CCCC[C@@H]2O)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000058330774 195378020 /nfs/dbraw/zinc/37/80/20/195378020.db2.gz DPEHCPJKJWMOHR-ZWKOTPCHSA-N -1 3 458.989 3.494 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)S1 ZINC000020895943 519643307 /nfs/dbraw/zinc/64/33/07/519643307.db2.gz MDCJRQXJJITAHF-GOSISDBHSA-N -1 3 467.956 3.417 50 0 JGAAHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3CC(=O)N2CCCC2)cc1 ZINC000033129795 519726801 /nfs/dbraw/zinc/72/68/01/519726801.db2.gz YSJCRHAUCGKAMI-UHFFFAOYSA-N -1 3 470.595 3.166 50 0 JGAAHM CC(C)CNC(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000033034347 519741656 /nfs/dbraw/zinc/74/16/56/519741656.db2.gz FTZZCTBKWPTIAP-UHFFFAOYSA-N -1 3 468.982 3.075 50 0 JGAAHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCCN4CCOCC4)CC3)cc2)cc1 ZINC000033115497 519838731 /nfs/dbraw/zinc/83/87/31/519838731.db2.gz HXLHNBSLUQEQLU-UHFFFAOYSA-N -1 3 471.623 3.091 50 0 JGAAHM CCCCN(C)C(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000033033330 520394246 /nfs/dbraw/zinc/39/42/46/520394246.db2.gz NTDJLKZCFRXOEK-UHFFFAOYSA-N -1 3 458.628 3.386 50 0 JGAAHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(Cl)cc1Cl ZINC000009254440 521059900 /nfs/dbraw/zinc/05/99/00/521059900.db2.gz VZGRIDHKNHARFD-NSHDSACASA-N -1 3 494.422 3.360 50 0 JGAAHM CCOC(=O)c1ccc(CNC(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)o1 ZINC000012411130 521477062 /nfs/dbraw/zinc/47/70/62/521477062.db2.gz MFILDIAXLSGQLQ-UHFFFAOYSA-N -1 3 461.323 3.134 50 0 JGAAHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H](c2ccccc2OC)N2CCCCC2)c(C)c1 ZINC000048287600 521685773 /nfs/dbraw/zinc/68/57/73/521685773.db2.gz YEQPQAVPFLJWEB-NRFANRHFSA-N -1 3 495.667 3.271 50 0 JGAAHM COC(=O)c1ccc(C(=O)OC)c([N-]C(=O)c2cc3c(nc4c(C)cccn4c3=O)s2)c1 ZINC000015441523 521979323 /nfs/dbraw/zinc/97/93/23/521979323.db2.gz RDZXRVJXSXPXRH-UHFFFAOYSA-N -1 3 451.460 3.043 50 0 JGAAHM CC[C@@H](C)NC(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000033034048 522216040 /nfs/dbraw/zinc/21/60/40/522216040.db2.gz OQFQVBSRRYCJQD-LJQANCHMSA-N -1 3 458.628 3.351 50 0 JGAAHM COc1ccc(CCN(C)C(=O)CC[N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1OC ZINC000033028733 523938494 /nfs/dbraw/zinc/93/84/94/523938494.db2.gz HBNYYTJXGAMNSI-UHFFFAOYSA-N -1 3 474.501 3.092 50 0 JGAAHM CC[C@H](C)NC(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000033033978 523998179 /nfs/dbraw/zinc/99/81/79/523998179.db2.gz ARUDDXWDRNCCOS-SFHVURJKSA-N -1 3 470.639 3.304 50 0 JGAAHM COc1ccc(CN2CCc3nc(SCC(=O)Nc4ccc5c(c4)OCO5)[n-]c(=O)c3C2)cc1 ZINC000033331805 524039677 /nfs/dbraw/zinc/03/96/77/524039677.db2.gz IPORIPUGKZJYEE-UHFFFAOYSA-N -1 3 480.546 3.209 50 0 JGAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCCCN4CCOCC4)CC3)cc2)c(C)c1 ZINC000033115448 524325517 /nfs/dbraw/zinc/32/55/17/524325517.db2.gz ULTJKTIYONHNIX-UHFFFAOYSA-N -1 3 485.650 3.283 50 0 JGAAHM COc1ccccc1CN1CCc2nc(SCC(=O)NCc3ccc(C)cc3)[n-]c(=O)c2C1 ZINC000033331797 524455658 /nfs/dbraw/zinc/45/56/58/524455658.db2.gz LTNOYKMKZDSSLN-UHFFFAOYSA-N -1 3 464.591 3.466 50 0 JGAAHM COc1ccc(NC(=O)CCNC(C)=O)cc1S(=O)(=O)[N-]c1cc(C)ccc1Br ZINC000022617148 524480314 /nfs/dbraw/zinc/48/03/14/524480314.db2.gz ZMZVRAXTKNQEFU-UHFFFAOYSA-N -1 3 484.372 3.032 50 0 JGAAHM COc1ccc(NC(=O)CSc2nc3c(nc[n-]c3=O)n2-c2ccc(C)cc2)c(OC)c1 ZINC000012462126 524510113 /nfs/dbraw/zinc/51/01/13/524510113.db2.gz WZRDVWGWQGJGBE-UHFFFAOYSA-N -1 3 451.508 3.165 50 0 biogenic,in-vitro JGAAHM C[C@H]1CN(C(C)(C)CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C[C@H](C)O1 ZINC000022433245 524555025 /nfs/dbraw/zinc/55/50/25/524555025.db2.gz CTEKXSYCBPCHGZ-IRXDYDNUSA-N -1 3 463.575 3.244 50 0 JGAAHM Cc1ccc(CS(=O)(=O)[N-]C[C@H](c2cccnc2)S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000019797375 524638059 /nfs/dbraw/zinc/63/80/59/524638059.db2.gz AVMCGDSVIMPMAX-JOCHJYFZSA-N -1 3 462.568 3.472 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3ccc(CN(C)C)cc3)c2)cc1 ZINC000012507918 524696147 /nfs/dbraw/zinc/69/61/47/524696147.db2.gz XVCYLNXRFNGLRG-UHFFFAOYSA-N -1 3 453.564 3.488 50 0 JGAAHM Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]([N-]S(=O)(=O)c2cccs2)C(C)C)CC1 ZINC000004787531 524733403 /nfs/dbraw/zinc/73/34/03/524733403.db2.gz IFHQLHKFNMNDHM-IBGZPJMESA-N -1 3 456.033 3.362 50 0 JGAAHM Cc1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000013986911 525048339 /nfs/dbraw/zinc/04/83/39/525048339.db2.gz ITVAHDBUHIKRPS-UHFFFAOYSA-N -1 3 490.969 3.252 50 0 JGAAHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCCCCC3)ccc2N2CCNCC2)cc1 ZINC000033033164 525590579 /nfs/dbraw/zinc/59/05/79/525590579.db2.gz FPCMWGCQONYVSZ-UHFFFAOYSA-N -1 3 456.612 3.222 50 0 JGAAHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3ccccc3)ccc2N2CCNCC2)c(C)c1 ZINC000033033877 525591155 /nfs/dbraw/zinc/59/11/55/525591155.db2.gz OUWBMJBWQXQCNA-UHFFFAOYSA-N -1 3 478.618 3.444 50 0 JGAAHM CSCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCCCn1nc(C)cc1C ZINC000023246741 525594590 /nfs/dbraw/zinc/59/45/90/525594590.db2.gz OOIYODIFRCESOD-KRWDZBQOSA-N -1 3 493.482 3.413 50 0 JGAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCCCN4CCCC4=O)CC3)cc2)c(C)c1 ZINC000033115343 525602825 /nfs/dbraw/zinc/60/28/25/525602825.db2.gz MEGZCJIPQYYPBT-UHFFFAOYSA-N -1 3 469.607 3.265 50 0 JGAAHM Cc1ccc(-n2c3c(c(=O)[n-]c2=O)[C@@](NC(=O)CCC2CCCCC2)(C(F)(F)F)C(=O)N3)cc1 ZINC000020394281 525902825 /nfs/dbraw/zinc/90/28/25/525902825.db2.gz KSTORKGPWGZTFM-QFIPXVFZSA-N -1 3 478.471 3.021 50 0 JGAAHM O=C(CC[N-]S(=O)(=O)c1ccc(Br)s1)NCCc1ccc(Cl)cc1 ZINC000020137210 526512265 /nfs/dbraw/zinc/51/22/65/526512265.db2.gz YWYVVGXKAZAIPM-UHFFFAOYSA-N -1 3 451.795 3.191 50 0 JGAAHM Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1c1nnc(C(=O)[N-]c2ccc(F)c(F)c2)s1 ZINC000064941380 526550061 /nfs/dbraw/zinc/55/00/61/526550061.db2.gz CLXPBAQWLRXFRW-CQSZACIVSA-N -1 3 469.495 3.199 50 0 JGAAHM O=C(c1nnc(-c2csc(S(=O)(=O)[N-]Cc3ccc(F)cc3)c2)o1)N1CCCCC1 ZINC000065098982 526929029 /nfs/dbraw/zinc/92/90/29/526929029.db2.gz RGOLZLSXRLOPMI-UHFFFAOYSA-N -1 3 450.517 3.042 50 0 JGAAHM Cn1c2ccc([N-]S(=O)(=O)c3ccccc3)cc2nc1CCN1CCN(c2ccccn2)CC1 ZINC000033556352 527049347 /nfs/dbraw/zinc/04/93/47/527049347.db2.gz UJDYQPCOMFUITI-UHFFFAOYSA-N -1 3 476.606 3.134 50 0 JGAAHM O=C(C[C@@H]1CSc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3F)cc2NC1=O)N1CCCC1 ZINC000033290331 527135279 /nfs/dbraw/zinc/13/52/79/527135279.db2.gz XCNGWMJWXCBUEO-CYBMUJFWSA-N -1 3 481.546 3.439 50 0 JGAAHM O=C(Cc1ccc(F)cc1)N1CCC(c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[n-]2)CC1 ZINC000008613420 527228315 /nfs/dbraw/zinc/22/83/15/527228315.db2.gz CLTYNXMLKDGQNL-UHFFFAOYSA-N -1 3 464.476 3.202 50 0 JGAAHM CC(C)[C@H]([N-]S(=O)(=O)/C=C\c1ccccc1)C(=O)OCC(=O)Nc1ccc2c(c1)CCC2 ZINC000096504047 535124013 /nfs/dbraw/zinc/12/40/13/535124013.db2.gz QXWMKFJXTCHBPW-DSTYWPJMSA-N -1 3 456.564 3.272 50 0 JGAAHM CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc3c2C(=O)[N-]C3=O)c1 ZINC000002641482 554260669 /nfs/dbraw/zinc/26/06/69/554260669.db2.gz YRIYLPGSJZECJS-UHFFFAOYSA-N -1 3 483.933 3.297 50 0 JGAAHM CCSc1nnc(NC(=O)CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)[n-]2)s1 ZINC000002717992 554303082 /nfs/dbraw/zinc/30/30/82/554303082.db2.gz DITBMZJARXHXGQ-UHFFFAOYSA-N -1 3 463.545 3.355 50 0 JGAAHM CSCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NCCc1ccccn1 ZINC000006261668 554523181 /nfs/dbraw/zinc/52/31/81/554523181.db2.gz CBCFDVLWPYJERI-QGZVFWFLSA-N -1 3 462.424 3.147 50 0 JGAAHM COc1cc(CN2C(=O)N(C(C)C)[C@H](N([O-])C(=O)NC(C)C)C2(C)C)cc(OC)c1OC ZINC000008740311 554642455 /nfs/dbraw/zinc/64/24/55/554642455.db2.gz IIPBBDRKHLNOTE-LJQANCHMSA-N -1 3 452.552 3.272 50 0 biogenic JGAAHM CCCNC(=O)[C@@H](C)NC(=O)[C@@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000008753743 554655439 /nfs/dbraw/zinc/65/54/39/554655439.db2.gz BKNKVEVNFRFETM-ZIAGYGMSSA-N -1 3 458.609 3.304 50 0 JGAAHM COc1ccc(CCNC(=O)CSc2nnc([N-]C(=O)c3cccs3)s2)cc1OC ZINC000008823008 554710758 /nfs/dbraw/zinc/71/07/58/554710758.db2.gz WKIVQPRSPNDQSZ-UHFFFAOYSA-N -1 3 464.594 3.320 50 0 JGAAHM COc1cc2c(cc1OC)CN(C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]3CCCO3)c1)CC2 ZINC000009048550 554871188 /nfs/dbraw/zinc/87/11/88/554871188.db2.gz JVRVMCVIEQGMJJ-SFHVURJKSA-N -1 3 494.997 3.013 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3)cc2)cc1 ZINC000009128379 554925273 /nfs/dbraw/zinc/92/52/73/554925273.db2.gz PEIRJRHDGGITNU-UHFFFAOYSA-N -1 3 460.533 3.152 50 0 JGAAHM O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1)N1CCCCCC1 ZINC000009128565 554925440 /nfs/dbraw/zinc/92/54/40/554925440.db2.gz LLKFYZMPKZJQLD-UHFFFAOYSA-N -1 3 464.971 3.378 50 0 JGAAHM COc1cc([C@@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCO)cc(Br)c1[O-] ZINC000009184771 554956792 /nfs/dbraw/zinc/95/67/92/554956792.db2.gz FWPPEGUUNLRGKJ-HXUWFJFHSA-N -1 3 488.338 3.413 50 0 JGAAHM O=C(Cc1ccc(F)cc1)N1CCC(c2nc3c(nnn3Cc3ccccc3F)c(=O)[n-]2)CC1 ZINC000009202233 554972772 /nfs/dbraw/zinc/97/27/72/554972772.db2.gz ZVBCHJZOVVAAFB-UHFFFAOYSA-N -1 3 464.476 3.202 50 0 JGAAHM Cc1ccc(Cn2nnc3c2nc(C2CCN(C(=O)COc4ccc(C)cc4)CC2)[n-]c3=O)cc1 ZINC000009250532 555023948 /nfs/dbraw/zinc/02/39/48/555023948.db2.gz CKGUOJMKNMAUSL-UHFFFAOYSA-N -1 3 472.549 3.377 50 0 JGAAHM CCOC(=O)[C@]([N-]c1sc2c(c1C(=O)OC)CCCCC2)(NC(=O)N(C)C)C(F)(F)F ZINC000009330836 555100838 /nfs/dbraw/zinc/10/08/38/555100838.db2.gz HOUUXZAGRZMRMD-SFHVURJKSA-N -1 3 465.494 3.308 50 0 JGAAHM O=C(Nc1ccccc1N1CCCC1=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1 ZINC000009335865 555103487 /nfs/dbraw/zinc/10/34/87/555103487.db2.gz ZDUCLNVWHVKUEU-MRXNPFEDSA-N -1 3 477.970 3.176 50 0 JGAAHM O=c1cc(Cc2nnc(SCc3c(F)cccc3Cl)n2-c2ccc(F)cc2)[nH]c(=O)[n-]1 ZINC000009382057 555145961 /nfs/dbraw/zinc/14/59/61/555145961.db2.gz OJKPCEZEHKTNDF-UHFFFAOYSA-N -1 3 461.881 3.459 50 0 JGAAHM CCN(c1ccc(C)cc1)S(=O)(=O)c1nnc([N-]C(=O)c2cc(OC)c(OC)c(OC)c2)s1 ZINC000009405023 555163628 /nfs/dbraw/zinc/16/36/28/555163628.db2.gz ZKHBGELXUNMQPG-UHFFFAOYSA-N -1 3 492.579 3.340 50 0 JGAAHM CC(=O)c1cc2c(cc1NC(=O)CSc1nc3[n-]ncc3c(=O)n1-c1ccc(Cl)cc1)OCO2 ZINC000009490732 555266571 /nfs/dbraw/zinc/26/65/71/555266571.db2.gz SKFWEQGOOUQTLK-UHFFFAOYSA-N -1 3 497.920 3.424 50 0 JGAAHM CC(=O)c1cc2c(cc1NC(=O)CSc1nc3n[n-]cc3c(=O)n1-c1ccc(Cl)cc1)OCO2 ZINC000009490732 555266573 /nfs/dbraw/zinc/26/65/73/555266573.db2.gz SKFWEQGOOUQTLK-UHFFFAOYSA-N -1 3 497.920 3.424 50 0 JGAAHM O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1 ZINC000009500845 555285589 /nfs/dbraw/zinc/28/55/89/555285589.db2.gz GATNYZBXAXGXBG-GOSISDBHSA-N -1 3 477.970 3.176 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccncc3)c(Cl)c2)cc1 ZINC000009526104 555320142 /nfs/dbraw/zinc/32/01/42/555320142.db2.gz YQNYNFUDZHARHG-UHFFFAOYSA-N -1 3 461.927 3.240 50 0 JGAAHM CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000009640157 555350054 /nfs/dbraw/zinc/35/00/54/555350054.db2.gz NIUYTJFHVWIOTB-UHFFFAOYSA-N -1 3 463.515 3.033 50 0 JGAAHM COc1c(C)cc(S(=O)(=O)[N-]c2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)c(C)c1C ZINC000009572692 555369722 /nfs/dbraw/zinc/36/97/22/555369722.db2.gz BHFQNVADYPVZND-UHFFFAOYSA-N -1 3 461.565 3.282 50 0 JGAAHM COCCNC(=O)C1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)c2)CC1 ZINC000013357110 555383758 /nfs/dbraw/zinc/38/37/58/555383758.db2.gz BRTONQRESYLQMV-UHFFFAOYSA-N -1 3 487.622 3.027 50 0 JGAAHM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc3n[n-]nc3c2)CC1 ZINC000009670044 555385774 /nfs/dbraw/zinc/38/57/74/555385774.db2.gz KKORCDTVSAOPMO-UHFFFAOYSA-N -1 3 455.584 3.019 50 0 JGAAHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000009671483 555391161 /nfs/dbraw/zinc/39/11/61/555391161.db2.gz XTUROPMBYBEISK-UHFFFAOYSA-N -1 3 497.548 3.313 50 0 JGAAHM CC(C)c1cc([N-]C(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)on1 ZINC000009593946 555409658 /nfs/dbraw/zinc/40/96/58/555409658.db2.gz LJQCVPHYIPLCJK-FQEVSTJZSA-N -1 3 461.474 3.187 50 0 JGAAHM Cc1ccc(CCNC(=O)[C@@H]([N-]S(=O)(=O)c2cccc3nsnc32)c2ccccc2)cc1 ZINC000009692514 555420039 /nfs/dbraw/zinc/42/00/39/555420039.db2.gz SRIGAMTZPPTEBF-NRFANRHFSA-N -1 3 466.588 3.378 50 0 JGAAHM Cc1cccc(CCNC(=O)[C@H]([N-]S(=O)(=O)c2cccc3nsnc32)c2ccccc2)c1 ZINC000009692612 555420645 /nfs/dbraw/zinc/42/06/45/555420645.db2.gz GKHIFLDAELNFET-OAQYLSRUSA-N -1 3 466.588 3.378 50 0 JGAAHM COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000009699928 555426702 /nfs/dbraw/zinc/42/67/02/555426702.db2.gz VLZRIWTZSYENPU-UHFFFAOYSA-N -1 3 458.511 3.373 50 0 JGAAHM CCOC(=O)c1[n-]n(-c2ccccc2Cl)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000013658438 555555639 /nfs/dbraw/zinc/55/56/39/555555639.db2.gz CNNIWPBRDQVNGH-RDJZCZTQSA-N -1 3 476.714 3.400 50 0 JGAAHM COc1ccc(CCNC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)cc1OC ZINC000020116374 555653794 /nfs/dbraw/zinc/65/37/94/555653794.db2.gz VOBQTVPPUHJQPV-IBGZPJMESA-N -1 3 474.604 3.014 50 0 JGAAHM COc1ccc(CCNC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)cc1OC ZINC000020116372 555653891 /nfs/dbraw/zinc/65/38/91/555653891.db2.gz VOBQTVPPUHJQPV-LJQANCHMSA-N -1 3 474.604 3.014 50 0 JGAAHM COc1ccc(OC)c([C@H](c2c([O-])[nH]c(=S)[nH]c2=O)N2CCN(c3ccccc3)CC2)c1 ZINC000020156076 555675948 /nfs/dbraw/zinc/67/59/48/555675948.db2.gz HNPRHODBWPFFQO-HXUWFJFHSA-N -1 3 454.552 3.067 50 0 JGAAHM Cc1c([O-])ccc2c(COC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)cc(=O)oc12 ZINC000010609175 555728586 /nfs/dbraw/zinc/72/85/86/555728586.db2.gz IWJXCMUZPAIJAV-UHFFFAOYSA-N -1 3 463.533 3.013 50 0 JGAAHM CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCc1coc(-c2cccs2)n1 ZINC000010871305 555744510 /nfs/dbraw/zinc/74/45/10/555744510.db2.gz JPJQPRPLBRMNNF-OAHLLOKOSA-N -1 3 469.585 3.259 50 0 JGAAHM C[C@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)c1nc(=O)c2c3c(sc2[n-]1)C[C@@H](C)CC3 ZINC000010914246 555747051 /nfs/dbraw/zinc/74/70/51/555747051.db2.gz LNNVNVOCFIJKBR-RYUDHWBXSA-N -1 3 450.520 3.193 50 0 JGAAHM COc1ccc(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1Br ZINC000011451462 555781377 /nfs/dbraw/zinc/78/13/77/555781377.db2.gz SBGDWBDKTKBNNY-UHFFFAOYSA-N -1 3 459.387 3.102 50 0 JGAAHM O=C(c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1)N1CCN(c2cnccn2)CC1 ZINC000011545861 555786303 /nfs/dbraw/zinc/78/63/03/555786303.db2.gz DFSISNHKUMEUPD-UHFFFAOYSA-N -1 3 475.933 3.032 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1cc(C)cc(C)c1N(CCOc1cccc(C)c1)C2=O ZINC000011692642 555801577 /nfs/dbraw/zinc/80/15/77/555801577.db2.gz RLVKTHJMRHQENP-XMMPIXPASA-N -1 3 466.563 3.193 50 0 JGAAHM COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011720037 555805696 /nfs/dbraw/zinc/80/56/96/555805696.db2.gz GGPUEXCVIAIJTE-AWEZNQCLSA-N -1 3 472.032 3.488 50 0 JGAAHM C[C@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)[N-]c3ccc(N4CCC(C)CC4)cc3)cc2)C1=O ZINC000011858244 555837870 /nfs/dbraw/zinc/83/78/70/555837870.db2.gz CSADWJZAXZHRDA-KRWDZBQOSA-N -1 3 477.608 3.036 50 0 JGAAHM O=C([O-])[C@@H](C/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1)C1=CN[C@@H]2C=CC=C[C@H]12 ZINC000015636399 555921087 /nfs/dbraw/zinc/92/10/87/555921087.db2.gz ARAKJECAGBYGJV-CAUOWSTDSA-N -1 3 458.474 3.418 50 0 JGAAHM CCc1nc2sc([C@H](c3ccc(OC)c(OC)c3)N3CCC(C(=O)OC)CC3)c([O-])n2n1 ZINC000022853691 555960670 /nfs/dbraw/zinc/96/06/70/555960670.db2.gz VUZBEZISEMBOCB-SFHVURJKSA-N -1 3 460.556 3.050 50 0 JGAAHM CCN1CCN(Cc2ccc([N-]S(=O)(=O)c3ccc4c(c3)NC(=O)[C@H](C)CS4)cc2)CC1 ZINC000022937275 555990174 /nfs/dbraw/zinc/99/01/74/555990174.db2.gz BGYNKDNSWZCWGM-QGZVFWFLSA-N -1 3 474.652 3.305 50 0 JGAAHM CS(=O)(=O)[N-]c1cccc(C(=O)OCC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)c1 ZINC000012520980 555991890 /nfs/dbraw/zinc/99/18/90/555991890.db2.gz XIFDAGDGHIOXFS-FQEVSTJZSA-N -1 3 462.524 3.321 50 0 JGAAHM COc1ccc(C)cc1NC(=O)CNC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000023003005 555999137 /nfs/dbraw/zinc/99/91/37/555999137.db2.gz CVEXJIFZLLWMMH-UHFFFAOYSA-N -1 3 486.377 3.120 50 0 JGAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000015783171 556001323 /nfs/dbraw/zinc/00/13/23/556001323.db2.gz CITSUDHFCPAVEH-NRFANRHFSA-N -1 3 499.102 3.033 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@H](c3ccco3)N(C)C)c2)cc1 ZINC000012535954 556008476 /nfs/dbraw/zinc/00/84/76/556008476.db2.gz LENKXBZOKMPQMN-OAQYLSRUSA-N -1 3 457.552 3.430 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)cc1 ZINC000012541793 556016443 /nfs/dbraw/zinc/01/64/43/556016443.db2.gz TVCVPPNRISLJTA-SFTDATJTSA-N -1 3 497.573 3.084 50 0 JGAAHM CN(C)[C@@H](CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1)c1ccsc1 ZINC000023133278 556019948 /nfs/dbraw/zinc/01/99/48/556019948.db2.gz ASPIQJZSMPTIIA-FQEVSTJZSA-N -1 3 487.603 3.353 50 0 JGAAHM CCOC(=O)C1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2ccc(OC)c(OC)c2)CC1 ZINC000023157092 556025573 /nfs/dbraw/zinc/02/55/73/556025573.db2.gz HEKLZPMWTCAHRL-GOSISDBHSA-N -1 3 460.556 3.187 50 0 JGAAHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000012552747 556036397 /nfs/dbraw/zinc/03/63/97/556036397.db2.gz FGIKDFKDSBDVQP-UHFFFAOYSA-N -1 3 481.593 3.428 50 0 JGAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000023908775 556100470 /nfs/dbraw/zinc/10/04/70/556100470.db2.gz DXSJRUSDWRJMJO-UHFFFAOYSA-N -1 3 483.572 3.453 50 0 JGAAHM CN(C)[C@@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)c1cccs1 ZINC000023968096 556108271 /nfs/dbraw/zinc/10/82/71/556108271.db2.gz AWLQXPGOQYHDCV-IBGZPJMESA-N -1 3 487.603 3.353 50 0 JGAAHM O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1 ZINC000024578333 556137129 /nfs/dbraw/zinc/13/71/29/556137129.db2.gz DMGUCQZOBFLYJR-GOSISDBHSA-N -1 3 472.950 3.388 50 0 JGAAHM O=C(C[N-]S(=O)(=O)c1cccs1)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000024651614 556143924 /nfs/dbraw/zinc/14/39/24/556143924.db2.gz IRXLZIOWOLJLDO-UHFFFAOYSA-N -1 3 452.561 3.196 50 0 JGAAHM C[C@@H](Sc1nc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C1CC1)C(=O)NCCC1=CCCCC1 ZINC000012925923 556144410 /nfs/dbraw/zinc/14/44/10/556144410.db2.gz SOSVMPICJUKXGJ-CYBMUJFWSA-N -1 3 455.584 3.179 50 0 JGAAHM COc1ccc(S(=O)(=O)N2CCC([N-]S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1 ZINC000012927272 556145593 /nfs/dbraw/zinc/14/55/93/556145593.db2.gz RIQFHJPYPIDKFX-UHFFFAOYSA-N -1 3 479.407 3.134 50 0 JGAAHM O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc(S(=O)(=O)[N-]Cc2ccco2)c(Cl)cc1Cl ZINC000012932960 556149054 /nfs/dbraw/zinc/14/90/54/556149054.db2.gz YLIMRZLXAPMTHT-UHFFFAOYSA-N -1 3 481.317 3.487 50 0 JGAAHM CCOC(=O)[C@@H]1CCCN([C@H](c2sc3nc(CC)nn3c2[O-])c2ccc(OC)c(OC)c2)C1 ZINC000016690078 556153001 /nfs/dbraw/zinc/15/30/01/556153001.db2.gz SSNCNQFMGATLDT-BEFAXECRSA-N -1 3 474.583 3.441 50 0 JGAAHM CN(C)C[C@H](NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1)c1ccccc1 ZINC000024767791 556153132 /nfs/dbraw/zinc/15/31/32/556153132.db2.gz ZNDJYOBRPMVQSN-FCHUYYIVSA-N -1 3 493.633 3.142 50 0 JGAAHM COc1cccc(NC(=O)COc2ccc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)cc2)c1 ZINC000024883138 556162179 /nfs/dbraw/zinc/16/21/79/556162179.db2.gz FXHYAZWNXLBDPN-UHFFFAOYSA-N -1 3 469.519 3.337 50 0 JGAAHM COc1cccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCc2ccc(Cl)cc2)c1 ZINC000016960674 556191527 /nfs/dbraw/zinc/19/15/27/556191527.db2.gz GOEHIGHSYLWYKI-UHFFFAOYSA-N -1 3 455.927 3.189 50 0 JGAAHM COc1cccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCc2cccc(Cl)c2)c1 ZINC000016960678 556191622 /nfs/dbraw/zinc/19/16/22/556191622.db2.gz LYUKOIDBETXFCU-UHFFFAOYSA-N -1 3 455.927 3.189 50 0 JGAAHM CCOc1ccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCc2cccc(F)c2)cc1 ZINC000017315287 556256966 /nfs/dbraw/zinc/25/69/66/556256966.db2.gz AZKIOTOFIXSUMO-UHFFFAOYSA-N -1 3 453.499 3.065 50 0 JGAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)Nc4ccncc4)c3c2)cc1 ZINC000017584575 556262476 /nfs/dbraw/zinc/26/24/76/556262476.db2.gz IXSXLXMALJQEIQ-UHFFFAOYSA-N -1 3 464.503 3.375 50 0 JGAAHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000017822607 556267274 /nfs/dbraw/zinc/26/72/74/556267274.db2.gz OIBYEMPCLSAQQG-AWEZNQCLSA-N -1 3 470.378 3.149 50 0 JGAAHM O=C([C@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)c1cccc(Cl)c1Cl)N1CCOCC1 ZINC000027474405 556280132 /nfs/dbraw/zinc/28/01/32/556280132.db2.gz KADVNODRYRHKEU-SFHVURJKSA-N -1 3 482.389 3.223 50 0 JGAAHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H](c1ccc(OC)cc1)N1CCOCC1 ZINC000013134175 556362097 /nfs/dbraw/zinc/36/20/97/556362097.db2.gz JXYHMRVQYYKWDQ-LJQANCHMSA-N -1 3 499.427 3.208 50 0 JGAAHM O=C(c1cnn(-c2ccccc2F)c1-n1cccc1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000030183608 556364271 /nfs/dbraw/zinc/36/42/71/556364271.db2.gz STELITQRQXHMDY-UHFFFAOYSA-N -1 3 499.593 3.447 50 0 JGAAHM COc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(CCNc4cc(=O)oc5ccccc45)CC3)c2c1 ZINC000031811501 556406543 /nfs/dbraw/zinc/40/65/43/556406543.db2.gz FEHLINGNAOSKPQ-VWLOTQADSA-N -1 3 476.533 3.138 50 0 JGAAHM CC(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])N1CCN(c2nc3ccccc3nc2C)CC1 ZINC000032088385 556414174 /nfs/dbraw/zinc/41/41/74/556414174.db2.gz SYNQMKWADGATLY-QHCPKHFHSA-N -1 3 458.522 3.326 50 0 JGAAHM COc1ccc(OCc2nnc(S[C@@H](C)C(=O)c3ccc([N-]S(C)(=O)=O)cc3)n2C)cc1 ZINC000032672040 556468252 /nfs/dbraw/zinc/46/82/52/556468252.db2.gz NRHVSYYGNAFNPS-AWEZNQCLSA-N -1 3 476.580 3.138 50 0 JGAAHM CCNC(=O)CNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000032748029 556484853 /nfs/dbraw/zinc/48/48/53/556484853.db2.gz WOFMFFUCHPDJJI-UHFFFAOYSA-N -1 3 463.865 3.026 50 0 JGAAHM C[C@H]1CN(CCCNC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)C[C@H](C)O1 ZINC000032899241 556526732 /nfs/dbraw/zinc/52/67/32/556526732.db2.gz JAWMOTQPLXQHOK-IRXDYDNUSA-N -1 3 466.003 3.370 50 0 JGAAHM O=C([C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000008671946 562949730 /nfs/dbraw/zinc/94/97/30/562949730.db2.gz DHMLZQFVEWWSAR-QFIPXVFZSA-N -1 3 493.614 3.060 50 0 aggregator JGAAHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CNC(=O)c3cccc(OC)c3)ccc2C)cc1 ZINC000008686607 562952856 /nfs/dbraw/zinc/95/28/56/562952856.db2.gz PFAMKNZCQVOWBN-UHFFFAOYSA-N -1 3 483.546 3.182 50 0 JGAAHM O=S(=O)(CCN1CCC([N-]S(=O)(=O)c2cccs2)CC1)c1cc(Cl)ccc1Cl ZINC000062323855 569610566 /nfs/dbraw/zinc/61/05/66/569610566.db2.gz NZNUSMGSVFSQBK-UHFFFAOYSA-N -1 3 483.464 3.272 50 0 JGAAHM C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000062573915 569611407 /nfs/dbraw/zinc/61/14/07/569611407.db2.gz BJZMTHAITSXWLM-PGRDOPGGSA-N -1 3 485.028 3.475 50 0 JGAAHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)N(Cc2noc(C4CC4)n2)C(=O)CO3)c1 ZINC000064450733 569617343 /nfs/dbraw/zinc/61/73/43/569617343.db2.gz FESDVFSKJWLJPK-UHFFFAOYSA-N -1 3 454.508 3.290 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1cc(C)cc(C)c1N(CCOc1ccc(C)cc1)C2=O ZINC000033014280 569617998 /nfs/dbraw/zinc/61/79/98/569617998.db2.gz KJPHWNWDDUGPCH-XMMPIXPASA-N -1 3 466.563 3.193 50 0 JGAAHM Cc1cccc(-c2c3c(c4n2CCO[C@@H]4c2cc(Cl)ccc2[O-])n(C)c(=O)n(C)c3=O)c1 ZINC000064788234 569628323 /nfs/dbraw/zinc/62/83/23/569628323.db2.gz MPVVJLBRCMTFOH-JOCHJYFZSA-N -1 3 451.910 3.493 50 0 JGAAHM O=C(NC1CCCCCC1)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)cnc1N1CCNCC1 ZINC000065025096 569650166 /nfs/dbraw/zinc/65/01/66/569650166.db2.gz WPMWPKZBJKHSER-UHFFFAOYSA-N -1 3 492.045 3.398 50 0 JGAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2cnc(N3CCNCC3)c(C(=O)N(C)Cc3ccccc3)c2)c1 ZINC000065025185 569650237 /nfs/dbraw/zinc/65/02/37/569650237.db2.gz WJZUCFLWEVCWII-UHFFFAOYSA-N -1 3 493.633 3.181 50 0 JGAAHM CCN(Cc1ccccc1)C(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)cnc1N1CCNCC1 ZINC000065025162 569650335 /nfs/dbraw/zinc/65/03/35/569650335.db2.gz FOIIJNRLAJCCQQ-UHFFFAOYSA-N -1 3 493.633 3.263 50 0 JGAAHM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccccc3F)c(C)n2C)sc1C(=O)N1CCOCC1 ZINC000065036072 569653029 /nfs/dbraw/zinc/65/30/29/569653029.db2.gz JWVLFBKGNQOPAE-UHFFFAOYSA-N -1 3 478.571 3.178 50 0 JGAAHM COc1cc([C@H]2[C@H](S(=O)(=O)[N-]Cc3cccc(C(F)(F)F)c3)CON2C)cc(OC)c1OC ZINC000034739493 569654814 /nfs/dbraw/zinc/65/48/14/569654814.db2.gz ORZSGLCZUPNCOF-MOPGFXCFSA-N -1 3 490.500 3.138 50 0 JGAAHM COCCCNC(=O)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000065074478 569656995 /nfs/dbraw/zinc/65/69/95/569656995.db2.gz XLMKLZOBCVJDJH-UHFFFAOYSA-N -1 3 471.535 3.450 50 0 JGAAHM COc1cc(-c2nnc(CCC(=O)N3CCN(C4CCCC4)CC3)c(=O)[n-]2)ccc1OCC1CCC1 ZINC000034767408 569658756 /nfs/dbraw/zinc/65/87/56/569658756.db2.gz XOOKULWLWWAYEF-UHFFFAOYSA-N -1 3 495.624 3.451 50 0 JGAAHM O=C(c1nc(-c2csc(S(=O)(=O)[N-]CCc3ccc(Cl)cc3)c2)no1)N1CCCC1 ZINC000065097354 569661129 /nfs/dbraw/zinc/66/11/29/569661129.db2.gz NTSZOLFBULNNIP-UHFFFAOYSA-N -1 3 466.972 3.209 50 0 JGAAHM Cc1sc(-c2noc(C(=O)N3CCOCC3)n2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000065097753 569661660 /nfs/dbraw/zinc/66/16/60/569661660.db2.gz AWANGGPHZNBJBE-UHFFFAOYSA-N -1 3 468.944 3.033 50 0 JGAAHM O=C(c1nnc(-c2csc(S(=O)(=O)[N-]Cc3ccccc3Cl)c2)o1)N1CCCC1 ZINC000065098755 569661805 /nfs/dbraw/zinc/66/18/05/569661805.db2.gz WIIYREYLPOTQCS-UHFFFAOYSA-N -1 3 452.945 3.166 50 0 JGAAHM CCN1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(-c2nc(C)c(C(=O)N3CCCC3)s2)cs1 ZINC000065116984 569666824 /nfs/dbraw/zinc/66/68/24/569666824.db2.gz IBXXTUKWBYPOIL-MRXNPFEDSA-N -1 3 468.670 3.179 50 0 JGAAHM Cc1cc(C)c([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCOCC4)n3)ccc2C)c(C)c1 ZINC000065319027 569673549 /nfs/dbraw/zinc/67/35/49/569673549.db2.gz UHXPNQZPNYBISE-UHFFFAOYSA-N -1 3 470.551 3.243 50 0 JGAAHM COC(=O)c1sccc1NC(=O)C[C@@H](CN1CCN(Cc2cccc(Cl)c2)CC1)C(=O)[O-] ZINC000071284231 569696242 /nfs/dbraw/zinc/69/62/42/569696242.db2.gz DGZFZNKIZADMJQ-INIZCTEOSA-N -1 3 479.986 3.035 50 0 JGAAHM CCOC(=O)C[C@@H](c1ccc(OCc2c(C)noc2C)c(OC)c1)c1oc(CO)cc(=O)c1[O-] ZINC000071286618 569696335 /nfs/dbraw/zinc/69/63/35/569696335.db2.gz UCGHUUNOWMOEFF-KRWDZBQOSA-N -1 3 473.478 3.115 50 0 JGAAHM NC(=O)C1(N2CCCCC2)CCN(c2ccc(NC(=O)c3ccccc3F)cc2C(=O)[O-])CC1 ZINC000035450715 569696711 /nfs/dbraw/zinc/69/67/11/569696711.db2.gz LYAHHRKFAYPAOC-UHFFFAOYSA-N -1 3 468.529 3.086 50 0 JGAAHM CCn1c2ccc(-c3noc([C@@H](C)[N-]S(=O)(=O)c4ccc(C)cc4)n3)cc2nc(C)c1=O ZINC000035553338 569702494 /nfs/dbraw/zinc/70/24/94/569702494.db2.gz WQWLCADQVHLAOI-CQSZACIVSA-N -1 3 453.524 3.123 50 0 JGAAHM CCOC(=O)C1=C(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)NC(=O)N[C@@H]1c1ccco1 ZINC000089978356 569720728 /nfs/dbraw/zinc/72/07/28/569720728.db2.gz RAIJEDFOVJGGLW-GOSISDBHSA-N -1 3 492.517 3.078 50 0 JGAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)NCCCCCc3nnc4ccccn43)cc2O1 ZINC000095476705 569724333 /nfs/dbraw/zinc/72/43/33/569724333.db2.gz HBURURNQANKEGL-UHFFFAOYSA-N -1 3 452.511 3.087 50 0 JGAAHM COc1cccc(CN2Cc3cc([N-]S(=O)(=O)c4ccccc4)ccc3OCC2=O)c1OC ZINC000035910080 569725420 /nfs/dbraw/zinc/72/54/20/569725420.db2.gz NXQMVISUONLVEA-UHFFFAOYSA-N -1 3 468.531 3.426 50 0 JGAAHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3CCC(=O)N2CCOCC2)c(Cl)c1 ZINC000095841964 569729162 /nfs/dbraw/zinc/72/91/62/569729162.db2.gz UNAGRBWNPVDTOF-UHFFFAOYSA-N -1 3 496.010 3.075 50 0 JGAAHM CCC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095945931 569730976 /nfs/dbraw/zinc/73/09/76/569730976.db2.gz VIMNVUMRDJMVQI-SFHVURJKSA-N -1 3 461.540 3.172 50 0 JGAAHM CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2cc3cc4c(cc3[nH]c2=O)OCCO4)CCO1 ZINC000096117480 569735806 /nfs/dbraw/zinc/73/58/06/569735806.db2.gz XZERLLXXMSJKRN-XCLFUZPHSA-N -1 3 498.561 3.106 50 0 JGAAHM CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2cc3cc4c(cc3[nH]c2=O)OCCO4)CCO1 ZINC000096117483 569735821 /nfs/dbraw/zinc/73/58/21/569735821.db2.gz XZERLLXXMSJKRN-RNODOKPDSA-N -1 3 498.561 3.106 50 0 JGAAHM COc1ccc2[nH]c(=O)c([C@@H]3SCC(=O)Nc4c3c(=O)[n-]n4C3CCSCC3)cc2c1 ZINC000096118211 569736001 /nfs/dbraw/zinc/73/60/01/569736001.db2.gz IPKHHNLTAHLGTK-SFHVURJKSA-N -1 3 458.565 3.282 50 0 JGAAHM COc1ccc2[nH]c(=O)c([C@H]3SCC(=O)Nc4c3c(=O)[n-]n4[C@@H]3CCOC(C)(C)C3)cc2c1 ZINC000096223434 569739754 /nfs/dbraw/zinc/73/97/54/569739754.db2.gz KBCFUESJDJMZRC-BFUOFWGJSA-N -1 3 470.551 3.344 50 0 JGAAHM COc1cc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)cc2c1OCCO2 ZINC000096223809 569739808 /nfs/dbraw/zinc/73/98/08/569739808.db2.gz UDGZDXHNEJXCPR-YJYMSZOUSA-N -1 3 461.540 3.273 50 0 JGAAHM CCOC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000100078489 569752557 /nfs/dbraw/zinc/75/25/57/569752557.db2.gz GPRZUDZLBAQJKJ-RDJZCZTQSA-N -1 3 476.714 3.400 50 0 JGAAHM CCOC(=O)[C@H]1CCCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccc(OC)c(OC)c2)C1 ZINC000036370452 569773402 /nfs/dbraw/zinc/77/34/02/569773402.db2.gz SSNCNQFMGATLDT-HNAYVOBHSA-N -1 3 474.583 3.441 50 0 JGAAHM COc1ccc(N2C(=O)C3=C(C(O)n4nnc5ccccc54)N4c5ccccc5C=C[C@H]4C3=C2[O-])cc1 ZINC000100889038 569774427 /nfs/dbraw/zinc/77/44/27/569774427.db2.gz UDPHJNHLIVIVLF-OJJQZRKESA-N -1 3 491.507 3.170 50 0 JGAAHM COc1ccc(-c2[n-]n(-c3ccccc3)c3c(O)n(-c4ccc(OC(C)=O)cc4)c(=O)c2-3)cc1 ZINC000100901871 569774841 /nfs/dbraw/zinc/77/48/41/569774841.db2.gz UYUXISBWODJUMD-VWNXMTODSA-N -1 3 455.470 3.403 50 0 JGAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C(=O)C3ON2c2ccccc2)ccc1O ZINC000102707978 569816780 /nfs/dbraw/zinc/81/67/80/569816780.db2.gz RMGGVRKIYNZARK-YPAWHYETSA-N -1 3 460.442 3.150 50 0 JGAAHM Cc1ccc(Br)c([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@H](C(N)=O)CC[C@H]3C)c2)c1 ZINC000040135686 569817388 /nfs/dbraw/zinc/81/73/88/569817388.db2.gz OYQITLDPSMCZGM-GDBMZVCRSA-N -1 3 494.411 3.284 50 0 JGAAHM CC(C)(C)CCN1CCN(C(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3[O-])cc2)CC1 ZINC000040157610 569821635 /nfs/dbraw/zinc/82/16/35/569821635.db2.gz YAGCBWJNOQDKHG-OAQYLSRUSA-N -1 3 499.681 3.303 50 0 JGAAHM CCN(CC[N-]S(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O)c1ccccc1 ZINC000040454597 569829358 /nfs/dbraw/zinc/82/93/58/569829358.db2.gz UIOKLJVSRNEBJW-UHFFFAOYSA-N -1 3 466.401 3.163 50 0 JGAAHM CCCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc(Br)c1)CC(=O)N2 ZINC000046074208 569843202 /nfs/dbraw/zinc/84/32/02/569843202.db2.gz HOWADKIJJSGSQN-GFCCVEGCSA-N -1 3 451.346 3.489 50 0 JGAAHM COc1ccc(NC(=O)C2CC(=O)Nc3nc(SCc4cccc(C)c4)[n-]c(=O)c32)c(OC)c1 ZINC000046074897 569843755 /nfs/dbraw/zinc/84/37/55/569843755.db2.gz ZEJXLEPOISIMHR-MRXNPFEDSA-N -1 3 480.546 3.452 50 0 JGAAHM COc1cccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccc(F)cc4)[n-]c(=O)c32)c1 ZINC000046075442 569844165 /nfs/dbraw/zinc/84/41/65/569844165.db2.gz HQGLEEWQLKYUMB-MRXNPFEDSA-N -1 3 454.483 3.274 50 0 JGAAHM CN1CCN2c3cccc(Cl)c3C[C@@]3(C(=O)[N-]C(=O)N(CCc4ccccc4)C3=O)[C@H]2C1 ZINC000245327735 570065520 /nfs/dbraw/zinc/06/55/20/570065520.db2.gz PTIWIEPBTQWOKZ-YKSBVNFPSA-N -1 3 452.942 3.164 50 0 JGAAHM C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000245380888 570067677 /nfs/dbraw/zinc/06/76/77/570067677.db2.gz RNYOKMWPIJIOSA-AYBZRNKSSA-N -1 3 458.609 3.276 50 0 JGAAHM C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[N-]c2nnc([C@H]3COc4ccccc4O3)o2)cc1 ZINC000248109528 570074198 /nfs/dbraw/zinc/07/41/98/570074198.db2.gz QDDFDXZLOZWCEK-MGPUTAFESA-N -1 3 484.534 3.398 50 0 JGAAHM Cc1ccc(N2C(=O)C3=C(C(O)n4nnc5ccccc54)N4c5ccccc5C=C[C@H]4C3=C2[O-])cc1 ZINC000248122664 570074592 /nfs/dbraw/zinc/07/45/92/570074592.db2.gz SMELYNXPSTVKQP-QORCZRPOSA-N -1 3 475.508 3.470 50 0 JGAAHM COc1ccc(CN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)c2ccccc2[O-])cc1 ZINC000001141823 194045192 /nfs/dbraw/zinc/04/51/92/194045192.db2.gz WZAQJAOJSYRYDC-UHFFFAOYSA-N -1 3 466.515 3.169 50 0 JGAAHM CCN(CC)S(=O)(=O)c1ccc([O-])c(C(=O)OCC(=O)Nc2ccc(Br)c(C)c2)c1 ZINC000003244496 194249754 /nfs/dbraw/zinc/24/97/54/194249754.db2.gz UHJIPWBOKDNZDU-UHFFFAOYSA-N -1 3 499.383 3.289 50 0 JGAAHM Cc1cccc(Cl)c1NC(=O)c1cnc([N-]c2cc(N3CCN(CCO)CC3)nc(C)n2)s1 ZINC000003986735 194368191 /nfs/dbraw/zinc/36/81/91/194368191.db2.gz ZBNZXTGUTAYRHI-UHFFFAOYSA-N -1 3 488.017 3.314 50 0 fda JGAAHM Cc1cccc(C)c1NC(=O)C1(N(Cc2ccco2)C(=O)C[C@@H]2NC(=O)[N-]C2=O)CCCCC1 ZINC000004078327 194375431 /nfs/dbraw/zinc/37/54/31/194375431.db2.gz ZMFMIHGPPIYDSN-IBGZPJMESA-N -1 3 466.538 3.165 50 0 JGAAHM CCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(I)c1[O-] ZINC000009260734 194642895 /nfs/dbraw/zinc/64/28/95/194642895.db2.gz LCPXXXYXSMXUBR-NTEUORMPSA-N -1 3 450.232 3.493 50 0 JGAAHM O=C(c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000009863860 195002934 /nfs/dbraw/zinc/00/29/34/195002934.db2.gz MTBSBXLFWNBGMF-UHFFFAOYSA-N -1 3 468.019 3.036 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1ccccc1N(Cc1ccccc1OC(C)C)C2=O ZINC000009925789 195024060 /nfs/dbraw/zinc/02/40/60/195024060.db2.gz PYCQOXPOHXLSBP-HSZRJFAPSA-N -1 3 452.536 3.176 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1cc(Br)ccc1N(Cc1ccc(C)cc1)C2=O ZINC000009925786 195024138 /nfs/dbraw/zinc/02/41/38/195024138.db2.gz GCJIMLHJJLCMIS-OAQYLSRUSA-N -1 3 487.379 3.460 50 0 JGAAHM CCOc1c(Br)cc(C(=O)N(C)Cc2nc3ccsc3c(=O)[n-]2)cc1OC ZINC000012750488 195105562 /nfs/dbraw/zinc/10/55/62/195105562.db2.gz UYZXVTMVEYQRFI-UHFFFAOYSA-N -1 3 452.330 3.427 50 0 JGAAHM C[C@@H](Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C(=O)NCc1ccccc1 ZINC000012796170 195136047 /nfs/dbraw/zinc/13/60/47/195136047.db2.gz CZVGDNYTEDBARO-QGZVFWFLSA-N -1 3 467.547 3.375 50 0 JGAAHM COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1c([O-])[nH]c(=O)n([C@H](C)CCc2ccccc2)c1=O ZINC000020758018 195216815 /nfs/dbraw/zinc/21/68/15/195216815.db2.gz GTPZVCBYYMPSOY-CMJOXMDJSA-N -1 3 460.534 3.161 50 0 biogenic JGAAHM COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1c(=O)[nH]c(=O)n([C@H](C)CCc2ccccc2)c1[O-] ZINC000020758018 195216818 /nfs/dbraw/zinc/21/68/18/195216818.db2.gz GTPZVCBYYMPSOY-CMJOXMDJSA-N -1 3 460.534 3.161 50 0 biogenic JGAAHM CCOc1cc([C@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OC(=O)c1cccc(OC)c1 ZINC000020895798 195239544 /nfs/dbraw/zinc/23/95/44/195239544.db2.gz XEEIXKFDKKEOQC-HXUWFJFHSA-N -1 3 457.508 3.314 50 0 JGAAHM O=C(Cc1ccsc1)N1CCC(c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[n-]2)CC1 ZINC000020890103 195236716 /nfs/dbraw/zinc/23/67/16/195236716.db2.gz OZMNXBTVVLEDFO-UHFFFAOYSA-N -1 3 468.970 3.227 50 0 JGAAHM O=c1ccc(-c2ccc(S(=O)(=O)[N-]CC3CCN(Cc4ccc(Cl)cc4)CC3)s2)n[nH]1 ZINC000020984961 195260320 /nfs/dbraw/zinc/26/03/20/195260320.db2.gz LHNRPANSGCKLKE-UHFFFAOYSA-N -1 3 479.027 3.342 50 0 JGAAHM CCc1ccc(C(=O)N2CCC(c3nc4c(nnn4Cc4ccc(F)cc4)c(=O)[n-]3)CC2)cc1 ZINC000021171116 195289600 /nfs/dbraw/zinc/28/96/00/195289600.db2.gz AIOXBWZSQIVMFR-UHFFFAOYSA-N -1 3 460.513 3.284 50 0 JGAAHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2N2CCN(CCc3ccncc3)CC2)c1 ZINC000058265909 195375485 /nfs/dbraw/zinc/37/54/85/195375485.db2.gz KMRPPAKHDVITSD-UHFFFAOYSA-N -1 3 464.591 3.450 50 0 JGAAHM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3CC(=O)N2CCCC2)cc1 ZINC000033129697 518386916 /nfs/dbraw/zinc/38/69/16/518386916.db2.gz CTQCNSIJAPPMBU-UHFFFAOYSA-N -1 3 455.580 3.410 50 0 JGAAHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC(C)C)ccc2N2CCNCC2)cc1 ZINC000033033787 519442188 /nfs/dbraw/zinc/44/21/88/519442188.db2.gz CBTIRSMCGVXMDY-UHFFFAOYSA-N -1 3 458.628 3.234 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2cc(Cl)ccc2OS(=O)(=O)c2ccc(C)cc2)S1 ZINC000020896147 519643620 /nfs/dbraw/zinc/64/36/20/519643620.db2.gz WEORVLBLYVLALY-SFHVURJKSA-N -1 3 467.956 3.417 50 0 JGAAHM CC(C)NC(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000033033800 519717471 /nfs/dbraw/zinc/71/74/71/519717471.db2.gz MVJALTWRHQPTBY-UHFFFAOYSA-N -1 3 458.628 3.333 50 0 JGAAHM CC(=O)Nc1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CN(Cc2ccccc2)CC3)cc1 ZINC000021810327 519722698 /nfs/dbraw/zinc/72/26/98/519722698.db2.gz FNWUZSRUSZEAFW-UHFFFAOYSA-N -1 3 463.563 3.430 50 0 JGAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000022521524 519821318 /nfs/dbraw/zinc/82/13/18/519821318.db2.gz WLLLCHOPIFUOMK-SFHVURJKSA-N -1 3 490.573 3.204 50 0 JGAAHM CCCCN(C)C(=O)c1cc([N-]S(=O)(=O)c2cc(C)c(C)cc2C)cnc1N1CCNCC1 ZINC000035514026 520391789 /nfs/dbraw/zinc/39/17/89/520391789.db2.gz YNYNNGIHFQRVFQ-UHFFFAOYSA-N -1 3 473.643 3.089 50 0 JGAAHM CCCCN(CC)C(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000033033171 520473602 /nfs/dbraw/zinc/47/36/02/520473602.db2.gz KAEBBYWQADRTRJ-UHFFFAOYSA-N -1 3 458.628 3.468 50 0 JGAAHM CCCS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2sc3c(c2C(=O)OC)CCCC3)n1 ZINC000016753783 520546746 /nfs/dbraw/zinc/54/67/46/520546746.db2.gz SPYODGUMQKNAGG-UHFFFAOYSA-N -1 3 457.961 3.293 50 0 JGAAHM CCN(CC)C(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000033032941 520552429 /nfs/dbraw/zinc/55/24/29/520552429.db2.gz AFVWCAQMHYKNLA-UHFFFAOYSA-N -1 3 495.443 3.142 50 0 JGAAHM CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(OCC)cc3)cc2)CC1 ZINC000016425070 520561461 /nfs/dbraw/zinc/56/14/61/520561461.db2.gz ZGFCGDFKHNUJIE-UHFFFAOYSA-N -1 3 490.578 3.067 50 0 JGAAHM CCOc1ccc(C(=O)N2CCC(c3nc4c(nnn4Cc4ccc(C)cc4)c(=O)[n-]3)CC2)cc1 ZINC000020463102 520894305 /nfs/dbraw/zinc/89/43/05/520894305.db2.gz JMSBQUORVMBWGF-UHFFFAOYSA-N -1 3 472.549 3.290 50 0 JGAAHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCC(C)CC3)ccc2N2CCNCC2)cc1 ZINC000033033536 521208719 /nfs/dbraw/zinc/20/87/19/521208719.db2.gz ORCLLKPSEGLNFO-UHFFFAOYSA-N -1 3 486.638 3.168 50 0 JGAAHM CCOc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCC(C(=O)OC)CC2)cc1OC ZINC000022626363 521231588 /nfs/dbraw/zinc/23/15/88/521231588.db2.gz BDGXYTKHCGHRES-SFHVURJKSA-N -1 3 460.556 3.187 50 0 JGAAHM COc1ccc(-c2nn3c(nnc3SCC(=O)Nc3ccccc3C(F)(F)F)[n-]c2=O)cc1 ZINC000016838801 523249065 /nfs/dbraw/zinc/24/90/65/523249065.db2.gz QKHWGIXFWLLEPM-UHFFFAOYSA-N -1 3 476.440 3.238 50 0 JGAAHM CN(Cc1ccccc1)C(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccccc2F)c1 ZINC000033033918 523339718 /nfs/dbraw/zinc/33/97/18/523339718.db2.gz VUVNTGYTRIFNQH-UHFFFAOYSA-N -1 3 482.581 3.308 50 0 JGAAHM CN1CCN(C(=O)c2ccc(OCc3nnc(C(=O)[N-]c4ccc(F)c(F)c4)s3)cc2)CC1 ZINC000033114351 523883135 /nfs/dbraw/zinc/88/31/35/523883135.db2.gz KDUDUYBVESJUDN-UHFFFAOYSA-N -1 3 473.505 3.035 50 0 JGAAHM CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCC[C@@H](C)C3)ccc2N2CCNCC2)cc1 ZINC000033033469 524015384 /nfs/dbraw/zinc/01/53/84/524015384.db2.gz FXERTSJXCGKQJM-LJQANCHMSA-N -1 3 470.639 3.332 50 0 JGAAHM Cc1cccc(-n2c(=O)c3c[n-]nc3nc2SCc2cc(=O)n3cc(Br)ccc3n2)c1 ZINC000008661964 524135939 /nfs/dbraw/zinc/13/59/39/524135939.db2.gz NZGVVCHBMDXXEK-UHFFFAOYSA-N -1 3 495.362 3.480 50 0 JGAAHM Cc1cccc(-n2c(=O)c3cn[n-]c3nc2SCc2cc(=O)n3cc(Br)ccc3n2)c1 ZINC000008661964 524135948 /nfs/dbraw/zinc/13/59/48/524135948.db2.gz NZGVVCHBMDXXEK-UHFFFAOYSA-N -1 3 495.362 3.480 50 0 JGAAHM COc1ccc(Cn2nnc3c2nc([C@H]2CCCN(C(=O)c4ccc(C)cc4)C2)[n-]c3=O)cc1 ZINC000008611567 524266464 /nfs/dbraw/zinc/26/64/64/524266464.db2.gz XLOZFWHZHNOYNZ-IBGZPJMESA-N -1 3 458.522 3.312 50 0 JGAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cnc(N3CCNCC3)c(C(=O)N3CCC(C)CC3)c2)c(C)c1 ZINC000035514043 524327855 /nfs/dbraw/zinc/32/78/55/524327855.db2.gz ADXPEPQPHJKPIO-UHFFFAOYSA-N -1 3 485.654 3.089 50 0 JGAAHM Cc1cccc(CNC(=O)c2ccc(N3CCNCC3)c([N-]S(=O)(=O)c3ccc(F)cc3)c2)c1 ZINC000033034356 524427255 /nfs/dbraw/zinc/42/72/55/524427255.db2.gz GIOROSOBYJABGT-UHFFFAOYSA-N -1 3 482.581 3.275 50 0 JGAAHM COc1ccc(NC(=O)c2nnc(C[N-]S(=O)(=O)c3ccc(CC(C)C)cc3)s2)cc1 ZINC000064991640 524658053 /nfs/dbraw/zinc/65/80/53/524658053.db2.gz XTAFJBATJVGJEY-UHFFFAOYSA-N -1 3 460.581 3.476 50 0 JGAAHM COc1ccc(OC)c(NC(=O)CSc2nc3c(nc[n-]c3=O)n2-c2ccc(C)cc2)c1 ZINC000012462116 524851266 /nfs/dbraw/zinc/85/12/66/524851266.db2.gz GYDVPNSQHRIJMG-UHFFFAOYSA-N -1 3 451.508 3.165 50 0 biogenic,in-vitro JGAAHM C[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(=O)OCc1csc(-c2ccccc2)n1 ZINC000002627937 525511166 /nfs/dbraw/zinc/51/11/66/525511166.db2.gz YGUSEUSONZTUHD-LBPRGKRZSA-N -1 3 460.562 3.225 50 0 JGAAHM Cc1ccc(-c2csc(NC(=O)COC(=O)C[N-]S(=O)(=O)/C=C\c3ccccc3)n2)cc1 ZINC000033497041 525780467 /nfs/dbraw/zinc/78/04/67/525780467.db2.gz YACSGRUSLPQKAQ-QXMHVHEDSA-N -1 3 471.560 3.191 50 0 JGAAHM O=C([C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000004762927 526519284 /nfs/dbraw/zinc/51/92/84/526519284.db2.gz ARHNBAWQKXETGN-FQEVSTJZSA-N -1 3 473.595 3.126 50 0 JGAAHM O=C([C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F)N1CCN(Cc2cccs2)CC1 ZINC000021843042 526519407 /nfs/dbraw/zinc/51/94/07/526519407.db2.gz WEAQBLDMKLPBMP-QFIPXVFZSA-N -1 3 487.622 3.121 50 0 JGAAHM O=C(c1ccccc1F)N1CCC(c2nc3c(nnn3Cc3c(F)cccc3F)c(=O)[n-]2)CC1 ZINC000020444573 526804996 /nfs/dbraw/zinc/80/49/96/526804996.db2.gz JVCNALUIFWXRSO-UHFFFAOYSA-N -1 3 468.439 3.000 50 0 JGAAHM O=C(c1ccccc1F)N1CCC(c2nc3c(nnn3Cc3cccc(F)c3)c(=O)[n-]2)CC1 ZINC000008612537 526805339 /nfs/dbraw/zinc/80/53/39/526805339.db2.gz DRGLYLAAFVFWDQ-UHFFFAOYSA-N -1 3 450.449 3.273 50 0 JGAAHM O=C(C[N-]S(=O)(=O)c1cc(-c2noc(C3CCC3)n2)cs1)Nc1ccc(F)c(F)c1 ZINC000033279557 526886098 /nfs/dbraw/zinc/88/60/98/526886098.db2.gz CIPCPMCAWWDCSF-UHFFFAOYSA-N -1 3 454.480 3.261 50 0 JGAAHM O=C(Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000016500681 527255458 /nfs/dbraw/zinc/25/54/58/527255458.db2.gz XVGLSWRNJXOZEP-OAHLLOKOSA-N -1 3 484.500 3.410 50 0 JGAAHM O=C(Nc1cccc(F)c1)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000008598769 527351635 /nfs/dbraw/zinc/35/16/35/527351635.db2.gz GZADIBHDAAQKTI-JOCHJYFZSA-N -1 3 453.495 3.369 50 0 JGAAHM O=c1oc2cc(S(=O)(=O)[N-]c3ccc(F)cc3Cl)ccc2n1Cc1noc(C2CC2)n1 ZINC000064946936 527499485 /nfs/dbraw/zinc/49/94/85/527499485.db2.gz HPBRUEFVSKWPGE-UHFFFAOYSA-N -1 3 464.862 3.497 50 0 JGAAHM O=C(NCCCN1CCOCC1)C1(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2)CC1 ZINC000033115434 527669651 /nfs/dbraw/zinc/66/96/51/527669651.db2.gz PPHUJLRROKYEBL-UHFFFAOYSA-N -1 3 497.661 3.236 50 0 JGAAHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3[O-])c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000000707515 553764392 /nfs/dbraw/zinc/76/43/92/553764392.db2.gz HNTLASMDVDSBKJ-JAORQVBISA-N -1 3 484.961 3.166 50 0 JGAAHM CCCS(=O)(=O)c1csc(C(=O)OC)c1N[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000002148188 554067618 /nfs/dbraw/zinc/06/76/18/554067618.db2.gz RMMBWXRGDSNDPA-UHFFFAOYSA-N -1 3 486.515 3.043 50 0 JGAAHM COc1cc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCO)cc(Br)c1[O-] ZINC000002352514 554162201 /nfs/dbraw/zinc/16/22/01/554162201.db2.gz SKMCCTLVJIGTJR-KRWDZBQOSA-N -1 3 474.307 3.424 50 0 JGAAHM COc1ccc(CNC(=O)CCC[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1OC ZINC000002640262 554259742 /nfs/dbraw/zinc/25/97/42/554259742.db2.gz CTCWIWMXIBAMID-UHFFFAOYSA-N -1 3 461.367 3.386 50 0 JGAAHM Cc1sc2nc(SCC(=O)Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3)[n-]c(=O)c2c1C ZINC000002705115 554295238 /nfs/dbraw/zinc/29/52/38/554295238.db2.gz GHKYUSPUPWWSPK-UHFFFAOYSA-N -1 3 480.637 3.409 50 0 JGAAHM COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Br)c1[O-] ZINC000008451831 554597807 /nfs/dbraw/zinc/59/78/07/554597807.db2.gz WJGJUMKLFLFSRM-OVCLIPMQSA-N -1 3 460.284 3.003 50 0 JGAAHM O=C(Nc1ccccc1N1CCOCC1)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccnc2)c1 ZINC000008747053 554650265 /nfs/dbraw/zinc/65/02/65/554650265.db2.gz MUWLYOKVYJRGKZ-UHFFFAOYSA-N -1 3 486.981 3.302 50 0 JGAAHM CCCNC(=O)[C@H](C)NC(=O)[C@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000008753758 554655408 /nfs/dbraw/zinc/65/54/08/554655408.db2.gz BKNKVEVNFRFETM-KBPBESRZSA-N -1 3 458.609 3.304 50 0 JGAAHM CCCNC(=O)[C@H](C)NC(=O)[C@@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000008753745 554655466 /nfs/dbraw/zinc/65/54/66/554655466.db2.gz BKNKVEVNFRFETM-UONOGXRCSA-N -1 3 458.609 3.304 50 0 JGAAHM CCOC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000009075708 554886982 /nfs/dbraw/zinc/88/69/82/554886982.db2.gz BSFVOERALJXLNR-WMZOPIPTSA-N -1 3 456.296 3.055 50 0 JGAAHM O=C(Cc1ccc(F)cc1)N1CCC(c2nc3c(nnn3Cc3ccsc3)c(=O)[n-]2)CC1 ZINC000009195484 554968749 /nfs/dbraw/zinc/96/87/49/554968749.db2.gz ZGYNBPCLMLKBMD-UHFFFAOYSA-N -1 3 452.515 3.125 50 0 JGAAHM COc1ccccc1Cn1nnc2c1nc(C1CCN(C(=O)Cc3ccc(F)cc3)CC1)[n-]c2=O ZINC000009195531 554968808 /nfs/dbraw/zinc/96/88/08/554968808.db2.gz KAQNKTXLZZAIJI-UHFFFAOYSA-N -1 3 476.512 3.072 50 0 JGAAHM O=C(c1ccccc1F)N1CCC(c2nc3c(nnn3Cc3ccccc3F)c(=O)[n-]2)CC1 ZINC000009202192 554972735 /nfs/dbraw/zinc/97/27/35/554972735.db2.gz DOOMLZVVRGUMNN-UHFFFAOYSA-N -1 3 450.449 3.273 50 0 JGAAHM COc1cc([C@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2CCO)cc(Br)c1[O-] ZINC000009243476 555018465 /nfs/dbraw/zinc/01/84/65/555018465.db2.gz WYIZQPFEEZMKSF-IBGZPJMESA-N -1 3 488.338 3.413 50 0 JGAAHM Cc1ccc(OCC(=O)N2CCC(c3nc4c(nnn4Cc4cccc(F)c4)c(=O)[n-]3)CC2)cc1 ZINC000009250547 555023944 /nfs/dbraw/zinc/02/39/44/555023944.db2.gz JEPVDGRGUOWQFB-UHFFFAOYSA-N -1 3 476.512 3.208 50 0 JGAAHM O=c1nc(CN2CCN(S(=O)(=O)c3cccs3)CC2)[n-]c2scc(-c3ccc(F)cc3)c21 ZINC000009255014 555030945 /nfs/dbraw/zinc/03/09/45/555030945.db2.gz IJQQUFAZMGKNLZ-UHFFFAOYSA-N -1 3 490.607 3.359 50 0 JGAAHM Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009319712 555094306 /nfs/dbraw/zinc/09/43/06/555094306.db2.gz ALWZOWGIVMPXQB-UHFFFAOYSA-N -1 3 468.514 3.252 50 0 JGAAHM O=C(NCCCn1cnc2ccccc21)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccnc2)c1 ZINC000009377527 555139198 /nfs/dbraw/zinc/13/91/98/555139198.db2.gz WNSXANNKMIFCJD-UHFFFAOYSA-N -1 3 483.981 3.383 50 0 JGAAHM Cc1cc(C)cc(NC(=O)CSc2nnc(Cc3cc(=O)[n-]c(=O)[nH]3)n2-c2ccc(Cl)cc2)c1 ZINC000009382079 555146139 /nfs/dbraw/zinc/14/61/39/555146139.db2.gz JQTSMZGVDQCGSX-UHFFFAOYSA-N -1 3 496.980 3.236 50 0 JGAAHM COc1ccc(OC)c(-c2nnc([N-]C(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)o2)c1 ZINC000009383886 555148469 /nfs/dbraw/zinc/14/84/69/555148469.db2.gz YBXBRLZVLKVKKX-HNNXBMFYSA-N -1 3 486.550 3.427 50 0 JGAAHM C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[N-]c2nnc([C@@H]3COc4ccccc4O3)o2)cc1 ZINC000009427981 555193520 /nfs/dbraw/zinc/19/35/20/555193520.db2.gz QDDFDXZLOZWCEK-QRWLVFNGSA-N -1 3 484.534 3.398 50 0 JGAAHM CC(=O)NCCC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1N1CCCC1 ZINC000009445101 555218125 /nfs/dbraw/zinc/21/81/25/555218125.db2.gz AGPHWJKFIXJWKB-UHFFFAOYSA-N -1 3 464.975 3.206 50 0 JGAAHM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Br)cc1Cl)c1ccc(-n2ccnc2)cc1 ZINC000009467681 555245523 /nfs/dbraw/zinc/24/55/23/555245523.db2.gz QZUDSAURCGKZML-CYBMUJFWSA-N -1 3 497.802 3.444 50 0 JGAAHM O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1 ZINC000009500840 555285570 /nfs/dbraw/zinc/28/55/70/555285570.db2.gz GATNYZBXAXGXBG-SFHVURJKSA-N -1 3 477.970 3.176 50 0 JGAAHM CCc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000009503936 555289031 /nfs/dbraw/zinc/28/90/31/555289031.db2.gz UXFDGYINENEAFE-UHFFFAOYSA-N -1 3 465.535 3.419 50 0 JGAAHM CCc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000009503936 555289034 /nfs/dbraw/zinc/28/90/34/555289034.db2.gz UXFDGYINENEAFE-UHFFFAOYSA-N -1 3 465.535 3.419 50 0 JGAAHM Cc1cc(C)c(C)c(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)[N-]C2=NCCS2)c1C ZINC000009638423 555346936 /nfs/dbraw/zinc/34/69/36/555346936.db2.gz PYWRWORNFPAECK-HXUWFJFHSA-N -1 3 457.621 3.255 50 0 JGAAHM O=C(COC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-])Nc1ccc(SC(F)F)cc1 ZINC000009661799 555366130 /nfs/dbraw/zinc/36/61/30/555366130.db2.gz ILWGZUNTISIAES-UHFFFAOYSA-N -1 3 486.518 3.287 50 0 JGAAHM O=C([C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc2nsnc21)N1CCc2ccccc21 ZINC000009692428 555419640 /nfs/dbraw/zinc/41/96/40/555419640.db2.gz CFFKOQIXBVKNFQ-IBGZPJMESA-N -1 3 464.572 3.170 50 0 JGAAHM C[C@@H](NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000009692495 555420014 /nfs/dbraw/zinc/42/00/14/555420014.db2.gz GOFHVGGJWGZKNS-UZLBHIALSA-N -1 3 466.588 3.458 50 0 JGAAHM Cc1ccc(-c2csc(NC(=O)COC(=O)CC[N-]S(=O)(=O)c3cccs3)n2)cc1 ZINC000009780808 555500237 /nfs/dbraw/zinc/50/02/37/555500237.db2.gz GKBXHIWXUNGERE-UHFFFAOYSA-N -1 3 465.578 3.030 50 0 JGAAHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCOc1ccc(-c2ccc(F)cc2)nn1 ZINC000009852942 555554884 /nfs/dbraw/zinc/55/48/84/555554884.db2.gz KGLIXLVAFCKRAU-UHFFFAOYSA-N -1 3 482.331 3.411 50 0 JGAAHM CCOC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000013658478 555555480 /nfs/dbraw/zinc/55/54/80/555555480.db2.gz VAZLIURVCJOGGQ-RDJZCZTQSA-N -1 3 476.714 3.400 50 0 JGAAHM O=C(CSc1nnc([N-]c2ccccc2F)s1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000010078510 555616460 /nfs/dbraw/zinc/61/64/60/555616460.db2.gz GMKVRQAVDPLRBS-CYBMUJFWSA-N -1 3 482.584 3.322 50 0 JGAAHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)Nc1ccc2c(c1)OCCO2 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/nfs/dbraw/zinc/73/37/54/555733754.db2.gz KAQIJGNUPHLPFI-QGZVFWFLSA-N -1 3 468.579 3.149 50 0 JGAAHM C[C@@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)c1nc(=O)c2c3c(sc2[n-]1)C[C@@H](C)CC3 ZINC000010914238 555747094 /nfs/dbraw/zinc/74/70/94/555747094.db2.gz LNNVNVOCFIJKBR-NWDGAFQWSA-N -1 3 450.520 3.193 50 0 JGAAHM O=C(Cn1[n-]c(=O)c2ccccc2c1=O)OCc1csc(COc2ccc(Cl)cc2)n1 ZINC000011530135 555786153 /nfs/dbraw/zinc/78/61/53/555786153.db2.gz WGYZUCRPDWEBDZ-UHFFFAOYSA-N -1 3 457.895 3.122 50 0 JGAAHM O=C(CSCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)NCCc1nnc2ccccn21 ZINC000011545821 555786390 /nfs/dbraw/zinc/78/63/90/555786390.db2.gz FAXLBCIXOPNFPR-UHFFFAOYSA-N -1 3 476.587 3.286 50 0 JGAAHM CCOC(=O)[C@@H]1CCCN(C(=O)c2cc([N-]S(=O)(=O)CC)cc3nc(-c4ccccc4)n(C)c32)C1 ZINC000011785314 555817671 /nfs/dbraw/zinc/81/76/71/555817671.db2.gz APBSQFUDCQIYBJ-GOSISDBHSA-N -1 3 498.605 3.417 50 0 JGAAHM C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)[N-]c3ccc(N4CCC(C)CC4)cc3)cc2)C1=O ZINC000011858245 555837746 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CCS(=O)(=O)[N-]c1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4ccc(C)cc4)C3)n2)cc1 ZINC000033276333 521684676 /nfs/dbraw/zinc/68/46/76/521684676.db2.gz WDPJMKTYJAWCFD-SFHVURJKSA-N -1 3 490.607 3.375 50 0 JGAAHM COc1c(I)cc(I)cc1C=C1SC(=O)[N-]C1=O ZINC000033534439 521866106 /nfs/dbraw/zinc/86/61/06/521866106.db2.gz CNHNFMJIXDRJKL-FPYGCLRLSA-N -1 3 487.056 3.228 50 0 JGAAHM CC[C@@H](C)NC(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000033033925 522216450 /nfs/dbraw/zinc/21/64/50/522216450.db2.gz OALHMQIQVDYINJ-OAHLLOKOSA-N -1 3 495.443 3.188 50 0 JGAAHM COc1cc(NC(=O)CSc2nc3c(c(=O)[n-]2)CN(Cc2ccccc2)CC3)cc(OC)c1 ZINC000012415608 522667666 /nfs/dbraw/zinc/66/76/66/522667666.db2.gz ZOXPVWLOIDUBMN-UHFFFAOYSA-N -1 3 466.563 3.489 50 0 JGAAHM COc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(C)cc2)cc(OC)c1OC ZINC000012291686 522928719 /nfs/dbraw/zinc/92/87/19/522928719.db2.gz ZKMICTNUHTWXHY-FIKGOQFSSA-N -1 3 468.428 3.125 50 0 JGAAHM CC[C@H](C)NC(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000033034041 523998157 /nfs/dbraw/zinc/99/81/57/523998157.db2.gz WXUIBMWRUMYQJJ-AWEZNQCLSA-N -1 3 468.982 3.218 50 0 JGAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cnc(N3CCNCC3)c(C(=O)N3CCCC[C@@H]3C)c2)cc1C ZINC000035514030 524327146 /nfs/dbraw/zinc/32/71/46/524327146.db2.gz NXNAOGOOGIIXIL-FQEVSTJZSA-N -1 3 485.654 3.232 50 0 JGAAHM COc1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CN(Cc2ccccc2)CC3)cc1OC ZINC000012415427 524508325 /nfs/dbraw/zinc/50/83/25/524508325.db2.gz UXXBYTKNJFMFIT-UHFFFAOYSA-N -1 3 466.563 3.489 50 0 JGAAHM C[C@@H](CCc1ccccc1)NC(=O)CSc1nc(-c2ccccc2F)nc2cc(=O)[n-]n21 ZINC000021537438 524531540 /nfs/dbraw/zinc/53/15/40/524531540.db2.gz NIDXWMYCEXHGKC-HNNXBMFYSA-N -1 3 451.527 3.453 50 0 JGAAHM Cc1cccc(OCCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]3CCCO3)c2)c1 ZINC000024488895 524734911 /nfs/dbraw/zinc/73/49/11/524734911.db2.gz SBILFWDWSNSJHN-IBGZPJMESA-N -1 3 466.987 3.305 50 0 JGAAHM 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Cc1nn2c(nc(COc3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3)cc2=O)s1 ZINC000009858714 555560225 /nfs/dbraw/zinc/56/02/25/555560225.db2.gz DJGRYBAZGSBADV-UHFFFAOYSA-N -1 3 462.940 3.493 50 0 JGAAHM CC1(C)CS(=O)(=O)N(c2ccc(S(=O)(=O)[N-]c3ccc(N4CCCCC4)cc3)cc2)C1=O ZINC000013690034 555583778 /nfs/dbraw/zinc/58/37/78/555583778.db2.gz WISMXPVAJQUBSP-UHFFFAOYSA-N -1 3 477.608 3.180 50 0 JGAAHM CCOC(=O)Cc1csc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)n1 ZINC000010042707 555607220 /nfs/dbraw/zinc/60/72/20/555607220.db2.gz LZBIBSNPRUHSNX-UHFFFAOYSA-N -1 3 463.512 3.441 50 0 JGAAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2ccccc2)c(C(=O)[O-])c1OC ZINC000013749279 555608067 /nfs/dbraw/zinc/60/80/67/555608067.db2.gz JUMCWXATNOIGLB-XJUOHMSHSA-N -1 3 474.469 3.453 50 0 JGAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)cc2)cc1 ZINC000010060248 555612384 /nfs/dbraw/zinc/61/23/84/555612384.db2.gz SUTMBAKKUIQZGX-UHFFFAOYSA-N -1 3 459.549 3.420 50 0 JGAAHM O=S(=O)([N-]Cc1ccc(S(=O)(=O)N2CCCC2)s1)c1cc(Cl)cc(Cl)c1 ZINC000014100934 555688882 /nfs/dbraw/zinc/68/88/82/555688882.db2.gz ZXJUARAEGZWNRG-UHFFFAOYSA-N -1 3 455.410 3.318 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1cccc(C)c1N(Cc1ccc(OC(C)C)cc1)C2=O ZINC000010335511 555690383 /nfs/dbraw/zinc/69/03/83/555690383.db2.gz YVSODEMKTIVNFP-XMMPIXPASA-N -1 3 466.563 3.484 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1cccc(C)c1N(CCOc1ccccc1Cl)C2=O ZINC000010335530 555690437 /nfs/dbraw/zinc/69/04/37/555690437.db2.gz ODMUHAKSJURVQI-QFIPXVFZSA-N -1 3 472.954 3.229 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1ccccc1N(CCCOc1ccccc1Cl)C2=O ZINC000010335492 555690502 /nfs/dbraw/zinc/69/05/02/555690502.db2.gz IGUYQJNHOZQOPT-QFIPXVFZSA-N -1 3 472.954 3.311 50 0 JGAAHM COc1ccccc1CNC(=O)[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000020235573 555728027 /nfs/dbraw/zinc/72/80/27/555728027.db2.gz XKIOMEMKEYHYNB-FQEVSTJZSA-N -1 3 468.560 3.036 50 0 JGAAHM O=S(=O)([N-]C1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1)c1cccs1 ZINC000010680267 555731978 /nfs/dbraw/zinc/73/19/78/555731978.db2.gz ACBXGOHRBZCGGK-UHFFFAOYSA-N -1 3 455.410 3.187 50 0 JGAAHM O=c1nc(CN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)[n-]c2scc(-c3cccs3)c21 ZINC000014250104 555752699 /nfs/dbraw/zinc/75/26/99/555752699.db2.gz VKSXYSRJEVFIHY-UHFFFAOYSA-N -1 3 490.607 3.359 50 0 JGAAHM C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000014254186 555755843 /nfs/dbraw/zinc/75/58/43/555755843.db2.gz PULSBKAJTFOGJB-AWEZNQCLSA-N -1 3 474.546 3.353 50 0 JGAAHM CCOc1ccc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1OC ZINC000011691792 555800700 /nfs/dbraw/zinc/80/07/00/555800700.db2.gz JQZJLTKTIBWBKR-ABSDTBQOSA-N -1 3 454.470 3.363 50 0 JGAAHM COc1ccc(CN2C(=O)[C@@]3(SC([N-]C(C)=O)=NN3C(C)=O)c3cc(C)cc(C)c32)cc1 ZINC000011692637 555801582 /nfs/dbraw/zinc/80/15/82/555801582.db2.gz WLJCXPBCTZZLFE-QHCPKHFHSA-N -1 3 452.536 3.014 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1cc(C)cc(C)c1N(CCOc1ccccc1C)C2=O ZINC000011692639 555801643 /nfs/dbraw/zinc/80/16/43/555801643.db2.gz ZEZJSESOIMZNJO-DEOSSOPVSA-N -1 3 466.563 3.193 50 0 JGAAHM COc1ccc(NC(=O)[C@H](C)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1Cl ZINC000011719977 555805759 /nfs/dbraw/zinc/80/57/59/555805759.db2.gz VWBQFGHAWJBIKO-ZDUSSCGKSA-N -1 3 458.005 3.180 50 0 JGAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(CCN3C(=O)c4cccnc4C3=O)cc2)cc1 ZINC000020558061 555809531 /nfs/dbraw/zinc/80/95/31/555809531.db2.gz NJPMFTTXHRBEGF-UHFFFAOYSA-N -1 3 451.504 3.120 50 0 JGAAHM CCOC(=O)[C@H]1CCCN(C(=O)c2cc([N-]S(=O)(=O)CC)cc3nc(-c4ccccc4)n(C)c32)C1 ZINC000011785315 555817659 /nfs/dbraw/zinc/81/76/59/555817659.db2.gz APBSQFUDCQIYBJ-SFHVURJKSA-N -1 3 498.605 3.417 50 0 JGAAHM CCOCCCn1c(=O)c2ccc(C(=O)N3CCN(C4CCCCC4)CC3)cc2[n-]c1=S ZINC000020644018 555845987 /nfs/dbraw/zinc/84/59/87/555845987.db2.gz SLAOESVHOUHXIT-UHFFFAOYSA-N -1 3 458.628 3.202 50 0 JGAAHM CCCn1c(CN2CCC(C(=O)Nc3ccccc3[O-])CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000015044508 555866101 /nfs/dbraw/zinc/86/61/01/555866101.db2.gz GVOSVYQHNHIXKI-UHFFFAOYSA-N -1 3 499.637 3.253 50 0 JGAAHM O=C(C=C1[N-]S(=O)(=O)c2ccccc2N1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000015678486 555943586 /nfs/dbraw/zinc/94/35/86/555943586.db2.gz UALKSZLDFATECY-UHFFFAOYSA-N -1 3 474.586 3.332 50 0 JGAAHM CS(=O)(=O)[N-]c1cccc(C(=O)OCC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)c1 ZINC000012520981 555991968 /nfs/dbraw/zinc/99/19/68/555991968.db2.gz XIFDAGDGHIOXFS-HXUWFJFHSA-N -1 3 462.524 3.321 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@@H](c3ccco3)N(C)C)c2)cc1 ZINC000012535955 556008513 /nfs/dbraw/zinc/00/85/13/556008513.db2.gz LENKXBZOKMPQMN-NRFANRHFSA-N -1 3 457.552 3.430 50 0 JGAAHM CN(C)[C@H](CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1)c1ccsc1 ZINC000023133281 556019916 /nfs/dbraw/zinc/01/99/16/556019916.db2.gz ASPIQJZSMPTIIA-HXUWFJFHSA-N -1 3 487.603 3.353 50 0 JGAAHM C[C@@H](OC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000012548619 556027275 /nfs/dbraw/zinc/02/72/75/556027275.db2.gz QHRQQEDRRLQHLX-CYBMUJFWSA-N -1 3 464.927 3.267 50 0 JGAAHM O=C(CSc1nc2c(cnn2CCO)c(=O)[n-]1)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 ZINC000015881246 556053107 /nfs/dbraw/zinc/05/31/07/556053107.db2.gz PCDBEDKMADMMPI-KRWDZBQOSA-N -1 3 498.565 3.195 50 0 JGAAHM Cc1ccc(Br)c([N-]S(=O)(=O)c2cccc(C(=O)NC[C@H]3CCCO3)c2)c1 ZINC000012584923 556082686 /nfs/dbraw/zinc/08/26/86/556082686.db2.gz VZOMUXXJFXVQTA-OAHLLOKOSA-N -1 3 453.358 3.467 50 0 JGAAHM O=C(Cn1[n-]c(=O)c2ccccc2c1=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000023908624 556100384 /nfs/dbraw/zinc/10/03/84/556100384.db2.gz CIFRQGIOSFJZFU-UHFFFAOYSA-N -1 3 469.545 3.063 50 0 JGAAHM CN(CC(=O)N1CCN(Cc2ccccc2)CC1)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000023955522 556103681 /nfs/dbraw/zinc/10/36/81/556103681.db2.gz CMGMLEGOLIAMDH-UHFFFAOYSA-N -1 3 487.629 3.428 50 0 JGAAHM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)NCc1ccc(CN2CCOCC2)cc1 ZINC000023958670 556106998 /nfs/dbraw/zinc/10/69/98/556106998.db2.gz ZBMGXGFVFOMJEL-UHFFFAOYSA-N -1 3 497.592 3.318 50 0 JGAAHM COc1ccc(S(=O)(=O)N2CCC([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 ZINC000012759052 556108993 /nfs/dbraw/zinc/10/89/93/556108993.db2.gz AWAAQMYERUBQQY-UHFFFAOYSA-N -1 3 479.407 3.134 50 0 JGAAHM COc1cccc([C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c2nccn2C)c1 ZINC000024017938 556116367 /nfs/dbraw/zinc/11/63/67/556116367.db2.gz FNTKUPDIACBWEN-ORAYPTAESA-N -1 3 497.404 3.308 50 0 JGAAHM O=C(NCCN1CCOCC1)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000012916595 556135882 /nfs/dbraw/zinc/13/58/82/556135882.db2.gz LLBHZYZILUWDDU-UHFFFAOYSA-N -1 3 491.919 3.222 50 0 JGAAHM COc1ccc(S(=O)(=O)N2CCC([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC000012926266 556144582 /nfs/dbraw/zinc/14/45/82/556144582.db2.gz FDFCWUBMBGCONY-UHFFFAOYSA-N -1 3 479.407 3.134 50 0 JGAAHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@H](c3ccc4c(c3)OCCO4)C(C)C)cc(C3CC3)nc21 ZINC000024749180 556148806 /nfs/dbraw/zinc/14/88/06/556148806.db2.gz HTNHFKIBDIXVRS-QFIPXVFZSA-N -1 3 478.549 3.271 50 0 JGAAHM O=C(CCC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000024771720 556153843 /nfs/dbraw/zinc/15/38/43/556153843.db2.gz JBGCUGCJJNISEO-UHFFFAOYSA-N -1 3 480.320 3.085 50 0 JGAAHM O=C(CCNC(=O)Cc1ccccc1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000024832584 556158413 /nfs/dbraw/zinc/15/84/13/556158413.db2.gz HKPNKXYREOSXBR-UHFFFAOYSA-N -1 3 455.511 3.314 50 0 JGAAHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H](C(CC)CC)N1CCOCC1 ZINC000012948061 556158647 /nfs/dbraw/zinc/15/86/47/556158647.db2.gz VQEDVWUMXPNHEE-KRWDZBQOSA-N -1 3 463.438 3.263 50 0 JGAAHM COc1ccccc1-n1ncc2c1nc(SCC(=O)Nc1cccc(NC(C)=O)c1)[n-]c2=O ZINC000016890537 556171465 /nfs/dbraw/zinc/17/14/65/556171465.db2.gz LYWIZBMTBXWSEL-UHFFFAOYSA-N -1 3 464.507 3.219 50 0 JGAAHM COc1ccc(F)cc1S(=O)(=O)[N-]CCc1csc2nc(-c3ccc(F)cc3)nn12 ZINC000016960133 556190466 /nfs/dbraw/zinc/19/04/66/556190466.db2.gz JICDFYIMFCWNGQ-UHFFFAOYSA-N -1 3 450.492 3.266 50 0 JGAAHM O=S(=O)([N-][C@@H](CN1CCOCC1)c1ccccc1)c1ccc(Br)cc1Cl ZINC000013001148 556194128 /nfs/dbraw/zinc/19/41/28/556194128.db2.gz JCOOETHODBDKDH-KRWDZBQOSA-N -1 3 459.793 3.454 50 0 JGAAHM O=C(Nc1ccc(N2CCCC2)nc1)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1 ZINC000013005982 556197804 /nfs/dbraw/zinc/19/78/04/556197804.db2.gz MEWNZKRSKWLEPB-QGZVFWFLSA-N -1 3 464.975 3.045 50 0 JGAAHM Cc1ccn(-c2ccc(Nc3ccc([N-]S(=O)(=O)c4ccc5c(c4)OCCO5)cc3)nn2)n1 ZINC000013010066 556202011 /nfs/dbraw/zinc/20/20/11/556202011.db2.gz FJDVTELTJGKWDZ-UHFFFAOYSA-N -1 3 464.507 3.286 50 0 JGAAHM CCCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(NC(=O)CC)cc3)ccc21 ZINC000017287000 556250816 /nfs/dbraw/zinc/25/08/16/556250816.db2.gz PDWLIGNBXDXYOG-UHFFFAOYSA-N -1 3 465.597 3.328 50 0 JGAAHM Cc1c([O-])ccc2c(COC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)cc(=O)oc12 ZINC000017767450 556266242 /nfs/dbraw/zinc/26/62/42/556266242.db2.gz DNEOTBPYFWRGLL-UHFFFAOYSA-N -1 3 493.484 3.229 50 0 JGAAHM O=C1C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@H]3C2=C([O-])N1c1ccccc1 ZINC000017861394 556269459 /nfs/dbraw/zinc/26/94/59/556269459.db2.gz FFRCZQKRRRGOPL-NEWJYFPISA-N -1 3 461.481 3.162 50 0 JGAAHM COc1cc(OC)cc(C(=O)[N-]n2c(=O)c3ccccc3nc2-c2cc(OC)c(OC)c(OC)c2)c1 ZINC000027527497 556288159 /nfs/dbraw/zinc/28/81/59/556288159.db2.gz VSYLWBZUNFWMRF-UHFFFAOYSA-N -1 3 491.500 3.490 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CNC(=O)c3ccc(C)cc3)ccc2C)cc1 ZINC000027769310 556306736 /nfs/dbraw/zinc/30/67/36/556306736.db2.gz MMQNTXQFZHBYMM-UHFFFAOYSA-N -1 3 467.547 3.481 50 0 JGAAHM C[C@@H](Sc1n[n-]c(-c2cccs2)n1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000013114816 556321206 /nfs/dbraw/zinc/32/12/06/556321206.db2.gz MJWBCEVCFIBYQI-CYBMUJFWSA-N -1 3 463.610 3.437 50 0 JGAAHM COc1ccc(NC(=O)c2cccc(OCC(N)=O)c2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000030605253 556368625 /nfs/dbraw/zinc/36/86/25/556368625.db2.gz DVIVDQTVHWOYDU-UHFFFAOYSA-N -1 3 489.937 3.266 50 0 JGAAHM O=S(=O)([N-]C[C@H](c1cccnc1)S(=O)(=O)c1ccccc1)c1ccc(Br)s1 ZINC000019797331 556375224 /nfs/dbraw/zinc/37/52/24/556375224.db2.gz YWHRENCSWSHLGU-OAHLLOKOSA-N -1 3 487.422 3.399 50 0 JGAAHM C[C@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000032671954 556468223 /nfs/dbraw/zinc/46/82/23/556468223.db2.gz AHABXEGKAILGSW-MAUKXSAKSA-N -1 3 487.603 3.311 50 0 JGAAHM C[C@@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000032671952 556468275 /nfs/dbraw/zinc/46/82/75/556468275.db2.gz AHABXEGKAILGSW-CRAIPNDOSA-N -1 3 487.603 3.311 50 0 JGAAHM C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C(=O)NCCCN1CCOCC1 ZINC000032814940 556502491 /nfs/dbraw/zinc/50/24/91/556502491.db2.gz DTAJWNSAPFEFGC-MRXNPFEDSA-N -1 3 472.636 3.112 50 0 JGAAHM C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1)c1nc2ccccc2[nH]1 ZINC000032819148 556503827 /nfs/dbraw/zinc/50/38/27/556503827.db2.gz KNIRAEFJRDUIQD-HIFRSBDPSA-N -1 3 462.959 3.165 50 0 JGAAHM O=c1ccc2cc(S(=O)(=O)NN=c3[n-]nc(-c4ccccc4)n3-c3ccccc3)ccc2o1 ZINC000032833711 556506849 /nfs/dbraw/zinc/50/68/49/556506849.db2.gz GGVZMLBCKZSJGY-UHFFFAOYSA-N -1 3 459.487 3.346 50 0 JGAAHM CC(=O)Nc1cc(C)nn1-c1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000032833615 556506876 /nfs/dbraw/zinc/50/68/76/556506876.db2.gz ITDFCFRVUAUYGN-UHFFFAOYSA-N -1 3 453.524 3.067 50 0 JGAAHM O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000008608810 562947157 /nfs/dbraw/zinc/94/71/57/562947157.db2.gz GYIUCXCQCVWPLC-UHFFFAOYSA-N -1 3 450.460 3.316 50 0 JGAAHM CCOCCCNC(=O)c1cnc2ccc(S(=O)(=O)N(C)c3ccccc3CC)cc2c1[O-] ZINC000006296642 569588922 /nfs/dbraw/zinc/58/89/22/569588922.db2.gz KFOUZJLEXBMHIG-UHFFFAOYSA-N -1 3 471.579 3.072 50 0 JGAAHM O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccnc2)c1 ZINC000008709580 569595533 /nfs/dbraw/zinc/59/55/33/569595533.db2.gz OOKWENQQELCCKU-UHFFFAOYSA-N -1 3 498.992 3.270 50 0 JGAAHM O=C(Cc1sc(N2CCCCC2)nc1[O-])Nc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1 ZINC000008719984 569597800 /nfs/dbraw/zinc/59/78/00/569597800.db2.gz ZHEYTEDFJQZLCJ-IBGZPJMESA-N -1 3 476.562 3.050 50 0 JGAAHM C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000062573917 569611473 /nfs/dbraw/zinc/61/14/73/569611473.db2.gz BJZMTHAITSXWLM-XMSQKQJNSA-N -1 3 485.028 3.475 50 0 JGAAHM CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(C(C)C)cc4)cc32)no1 ZINC000064450687 569617226 /nfs/dbraw/zinc/61/72/26/569617226.db2.gz ZQJFJVJBTKBUCH-UHFFFAOYSA-N -1 3 456.524 3.482 50 0 JGAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(Cc2noc(C4CCC4)n2)C(=O)CO3)cc1 ZINC000064450750 569617288 /nfs/dbraw/zinc/61/72/88/569617288.db2.gz OOJLJDQNMHJQQD-UHFFFAOYSA-N -1 3 484.534 3.462 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1cccc(C)c1N(CCOc1ccc(Cl)cc1)C2=O ZINC000033014272 569617960 /nfs/dbraw/zinc/61/79/60/569617960.db2.gz UITXZIYLJVMYAJ-JOCHJYFZSA-N -1 3 472.954 3.229 50 0 JGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(C)nc(N4CCOCC4)n3)cc2)cc1 ZINC000064801929 569631494 /nfs/dbraw/zinc/63/14/94/569631494.db2.gz SZCCYVSUHFUNDK-UHFFFAOYSA-N -1 3 455.540 3.175 50 0 JGAAHM O=c1nc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)[n-]c2scc(-c3cccs3)c21 ZINC000033736468 569632721 /nfs/dbraw/zinc/63/27/21/569632721.db2.gz DUYCVJPQUIERKE-UHFFFAOYSA-N -1 3 472.617 3.220 50 0 JGAAHM Cc1nc(CN2C(=O)COc3cc(S(=O)(=O)[N-][C@H]4CCCc5ccccc54)c(Cl)cc32)no1 ZINC000065022435 569649085 /nfs/dbraw/zinc/64/90/85/569649085.db2.gz WMFUHBOIMNGJLO-KRWDZBQOSA-N -1 3 488.953 3.313 50 0 JGAAHM CC(C)c1ccc(S(=O)(=O)[N-]c2cnc(N3CCNCC3)c(C(=O)N3CCC(C)CC3)c2)cc1 ZINC000065025248 569650497 /nfs/dbraw/zinc/65/04/97/569650497.db2.gz NHOHJLGHHRVCSW-UHFFFAOYSA-N -1 3 485.654 3.288 50 0 JGAAHM COCCNC(=O)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000065063628 569657041 /nfs/dbraw/zinc/65/70/41/569657041.db2.gz LIJUTDFKPOOFLR-UHFFFAOYSA-N -1 3 457.508 3.060 50 0 JGAAHM CCN1CCC[C@H]1C[N-]S(=O)(=O)c1cc(-c2nc(C)c(C(=O)N3CCCC3)s2)cs1 ZINC000065116986 569666914 /nfs/dbraw/zinc/66/69/14/569666914.db2.gz IBXXTUKWBYPOIL-INIZCTEOSA-N -1 3 468.670 3.179 50 0 JGAAHM Cc1noc(C)c1S(=O)(=O)N1CCN([C@H](C)c2nc(=O)c3c(-c4ccccc4)csc3[n-]2)CC1 ZINC000035343767 569681437 /nfs/dbraw/zinc/68/14/37/569681437.db2.gz GAGJSDDMLPTKKQ-OAHLLOKOSA-N -1 3 499.618 3.324 50 0 JGAAHM Cc1ccc(CC(=O)Nc2ccc(N3CCC(C(N)=O)(N4CCCCC4)CC3)cc2C(=O)[O-])cc1 ZINC000035422713 569692900 /nfs/dbraw/zinc/69/29/00/569692900.db2.gz JREISTLPDJGNSB-UHFFFAOYSA-N -1 3 478.593 3.185 50 0 JGAAHM O=C([N-]c1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1)c1cc(-c2cccnc2)on1 ZINC000069951031 569694348 /nfs/dbraw/zinc/69/43/48/569694348.db2.gz YMDXDGUURWIKBU-UHFFFAOYSA-N -1 3 455.521 3.383 50 0 JGAAHM CCn1c(=O)[n-]c(=O)c2c(C(=O)NCc3ccccc3OCc3ccccc3)cc(C3CC3)nc21 ZINC000070014363 569694958 /nfs/dbraw/zinc/69/49/58/569694958.db2.gz KGQVKSWFUSRAND-UHFFFAOYSA-N -1 3 470.529 3.491 50 0 JGAAHM CCOC(=O)c1sc2nc([C@H](C)OC(=O)[C@H]3CC(=O)N(c4ccccc4OC)C3)[n-]c(=O)c2c1C ZINC000071794580 569698475 /nfs/dbraw/zinc/69/84/75/569698475.db2.gz MPWYWZPYFUXWDL-KBPBESRZSA-N -1 3 499.545 3.136 50 0 JGAAHM CCOC(=O)c1sc2nc([C@@H](C)OC(=O)[C@H]3CC(=O)N(c4ccccc4OC)C3)[n-]c(=O)c2c1C ZINC000071794579 569698560 /nfs/dbraw/zinc/69/85/60/569698560.db2.gz MPWYWZPYFUXWDL-KGLIPLIRSA-N -1 3 499.545 3.136 50 0 JGAAHM COC(=O)c1nc(NC(=O)Cn2c(C)nc3ccc([O-])cc3c2=O)sc1-c1ccc(F)cc1 ZINC000072400966 569703770 /nfs/dbraw/zinc/70/37/70/569703770.db2.gz VMNCKYIEMJOSEO-UHFFFAOYSA-N -1 3 468.466 3.098 50 0 JGAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)cc2)cc1 ZINC000078477849 569706116 /nfs/dbraw/zinc/70/61/16/569706116.db2.gz VSHUYISAUILASO-OSPHWJPCSA-N -1 3 484.578 3.235 50 0 JGAAHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 ZINC000078623812 569706465 /nfs/dbraw/zinc/70/64/65/569706465.db2.gz WEVZNIIPUIYUMU-UHFFFAOYSA-N -1 3 484.578 3.297 50 0 JGAAHM C[C@@H](CN1CCN(C[C@@H](c2ccc(F)cc2)N2CCOCC2)CC1)C(=O)c1ccc([O-])cc1 ZINC000095903339 569729430 /nfs/dbraw/zinc/72/94/30/569729430.db2.gz RAZZYFNQQDIKGG-CPJSRVTESA-N -1 3 455.574 3.041 50 0 JGAAHM CCN(Cc1ccccc1)Cc1cc(=O)[n-]c(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1 ZINC000035926523 569729860 /nfs/dbraw/zinc/72/98/60/569729860.db2.gz DQCDHAFMBLLQLP-UHFFFAOYSA-N -1 3 465.985 3.408 50 0 JGAAHM CCCC[C@H](CC)C(=O)N1CCN(c2nc(CN3CCN(c4ccc(C)cc4)CC3)cc(=O)[n-]2)CC1 ZINC000035926755 569730144 /nfs/dbraw/zinc/73/01/44/569730144.db2.gz KQTPTBQWEYJDRL-QHCPKHFHSA-N -1 3 494.684 3.266 50 0 JGAAHM COc1cc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCSCC2)cc(OC)c1OC ZINC000096118267 569736010 /nfs/dbraw/zinc/73/60/10/569736010.db2.gz BPERVBKUSRVNOK-SFHVURJKSA-N -1 3 451.570 3.457 50 0 JGAAHM COc1ccccc1N1C(=O)[C@H]2C(=C1[O-])N(C(=O)c1ccc(C)cc1)N[C@H]2c1ccc(F)cc1 ZINC000100807370 569770502 /nfs/dbraw/zinc/77/05/02/569770502.db2.gz YRNNIFRCYLSLLR-VJBWXMMDSA-N -1 3 459.477 3.403 50 0 JGAAHM CCC[C@@H]1[C@@H]2C(=O)N(c3sc(C(=O)OCC)c(C)c3C(=O)OC)C([O-])=C2ON1c1ccccc1 ZINC000101075307 569781603 /nfs/dbraw/zinc/78/16/03/569781603.db2.gz BZRJBFDWPMQDDN-NJAFHUGGSA-N -1 3 486.546 3.498 50 0 JGAAHM O=c1occ(CN2CCCCC2)c([O-])c1CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000101373386 569794740 /nfs/dbraw/zinc/79/47/40/569794740.db2.gz SWTMQRPUMFTZBH-UHFFFAOYSA-N -1 3 452.477 3.067 50 0 JGAAHM COc1cc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Br)c1[O-] ZINC000101658320 569802598 /nfs/dbraw/zinc/80/25/98/569802598.db2.gz WJGJUMKLFLFSRM-NVNXTCNLSA-N -1 3 460.284 3.003 50 0 JGAAHM CCOc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc(I)c1[O-] ZINC000101666324 569802779 /nfs/dbraw/zinc/80/27/79/569802779.db2.gz UHCVGFHAXXGOHH-DHDCSXOGSA-N -1 3 464.259 3.488 50 0 JGAAHM Cc1ccc(Br)c([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@@H](C(N)=O)CC[C@H]3C)c2)c1 ZINC000040135687 569817454 /nfs/dbraw/zinc/81/74/54/569817454.db2.gz OYQITLDPSMCZGM-ZBFHGGJFSA-N -1 3 494.411 3.284 50 0 JGAAHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C3CCN(C(C)=O)CC3)ccc2C)cc1 ZINC000040161062 569822711 /nfs/dbraw/zinc/82/27/11/569822711.db2.gz HLAUSRLLTFRHEP-UHFFFAOYSA-N -1 3 459.568 3.392 50 0 JGAAHM CCOC(=O)CC1([N-]S(=O)(=O)c2cc3c(cc2Br)CCN3C(C)=O)CCCCC1 ZINC000040454607 569829390 /nfs/dbraw/zinc/82/93/90/569829390.db2.gz HWSIJEFBCJEUGJ-UHFFFAOYSA-N -1 3 487.416 3.293 50 0 JGAAHM COc1ccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccc(C)cc4)[n-]c(=O)c32)c(OC)c1 ZINC000046074998 569843767 /nfs/dbraw/zinc/84/37/67/569843767.db2.gz HHLCWHWYNCUZDF-INIZCTEOSA-N -1 3 480.546 3.452 50 0 JGAAHM CCC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@H]1c1ccc(OC)c(OC)c1OC ZINC000225848583 570024659 /nfs/dbraw/zinc/02/46/59/570024659.db2.gz VORKTWIAUKUPCG-SFHVURJKSA-N -1 3 461.540 3.172 50 0 JGAAHM Cc1ccc(N2C(=O)C3=C(C(O)n4nnc5ccccc54)N4c5ccccc5C=C[C@@H]4C3=C2[O-])cc1 ZINC000248122671 570074724 /nfs/dbraw/zinc/07/47/24/570074724.db2.gz SMELYNXPSTVKQP-WSOYEBOPSA-N -1 3 475.508 3.470 50 0 JGAAHM COC(=O)C[C@H](c1ccncc1)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1[O-] ZINC000263585770 570171316 /nfs/dbraw/zinc/17/13/16/570171316.db2.gz MGHQXOSWRYRDRD-HXUWFJFHSA-N -1 3 480.517 3.011 50 0 JGAAHM CCOC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2c1c(=O)[n-]c(=O)n2Cc1ccccc1 ZINC000003305755 194274867 /nfs/dbraw/zinc/27/48/67/194274867.db2.gz LXOGFLCEISHOTQ-UHFFFAOYSA-N -1 3 491.500 3.415 50 0 JGAAHM COc1cc2c(cc1OC)CN(C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)CC2 ZINC000003333789 194286698 /nfs/dbraw/zinc/28/66/98/194286698.db2.gz DTWJUFWNXLZFQK-UHFFFAOYSA-N -1 3 473.378 3.264 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CNC(=O)c3cccc(C)c3)cc2)cc1 ZINC000003346949 194293653 /nfs/dbraw/zinc/29/36/53/194293653.db2.gz LKEPUQLQPMISAX-UHFFFAOYSA-N -1 3 453.520 3.173 50 0 JGAAHM O=C(COC(=O)c1cccc(S(=O)(=O)[N-]CC(F)(F)F)c1)Nc1ccc2ccccc2c1 ZINC000003360373 194300272 /nfs/dbraw/zinc/30/02/72/194300272.db2.gz FVMCRMONEPRCPP-UHFFFAOYSA-N -1 3 466.437 3.476 50 0 JGAAHM CCOC(=O)c1c2c(sc1NC(=O)COC(=O)c1ccc(-c3nnn[n-]3)cc1)C[C@H](C)CC2 ZINC000003428917 194321395 /nfs/dbraw/zinc/32/13/95/194321395.db2.gz ITXWFQMZXTXJNY-GFCCVEGCSA-N -1 3 469.523 3.025 50 0 JGAAHM CCOC(=O)c1c2c(sc1NC(=O)COC(=O)c1ccc(-c3nn[n-]n3)cc1)C[C@H](C)CC2 ZINC000003428917 194321396 /nfs/dbraw/zinc/32/13/96/194321396.db2.gz ITXWFQMZXTXJNY-GFCCVEGCSA-N -1 3 469.523 3.025 50 0 JGAAHM CCOC(=O)N[C@@]([N-]c1sc2c(c1C(=O)OC)CCCC2)(C(=O)OCC)C(F)(F)F ZINC000003669997 194357691 /nfs/dbraw/zinc/35/76/91/194357691.db2.gz VPVVNMFEISWAQF-KRWDZBQOSA-N -1 3 452.451 3.393 50 0 biogenic JGAAHM COc1ccccc1N1CCN(C(=O)[C@H]([N-]S(=O)(=O)c2cccs2)c2ccccc2)CC1 ZINC000004056611 194372795 /nfs/dbraw/zinc/37/27/95/194372795.db2.gz IUYTTWUJOWNUOS-JOCHJYFZSA-N -1 3 471.604 3.125 50 0 JGAAHM Cc1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[n-]c(=O)c1Cc1ccc(Cl)cc1 ZINC000009306578 194678035 /nfs/dbraw/zinc/67/80/35/194678035.db2.gz XNUMNMVLTYMDTC-UHFFFAOYSA-N -1 3 452.942 3.373 50 0 JGAAHM O=C(c1cccs1)N1CCN(C(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)CC1 ZINC000009819127 194974952 /nfs/dbraw/zinc/97/49/52/194974952.db2.gz XSEYSLUXRMMQDA-UHFFFAOYSA-N -1 3 488.418 3.094 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCc3c(C)cc(C)[nH]c3=O)c2)cc1 ZINC000009931682 195025106 /nfs/dbraw/zinc/02/51/06/195025106.db2.gz KFXIRWXHZWVGTR-UHFFFAOYSA-N -1 3 455.536 3.040 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1cc(C)ccc1N(Cc1ccccc1OC(C)C)C2=O ZINC000009925792 195024127 /nfs/dbraw/zinc/02/41/27/195024127.db2.gz FNTVELRZSYSIAM-DEOSSOPVSA-N -1 3 466.563 3.484 50 0 JGAAHM O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000009882530 195010671 /nfs/dbraw/zinc/01/06/71/195010671.db2.gz XHLQJBWGSUZGKM-UHFFFAOYSA-N -1 3 493.010 3.479 50 0 JGAAHM Cc1cc([N-]C(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)on1 ZINC000012681184 195084348 /nfs/dbraw/zinc/08/43/48/195084348.db2.gz PPUVMXOBMBVPKV-GOSISDBHSA-N -1 3 460.600 3.364 50 0 JGAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000012691102 195088522 /nfs/dbraw/zinc/08/85/22/195088522.db2.gz ZEXJRRIVRWJJBV-HXUWFJFHSA-N -1 3 478.665 3.005 50 0 JGAAHM Cc1ccc(S(=O)(=O)N2CCC([N-]S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000012760117 195110339 /nfs/dbraw/zinc/11/03/39/195110339.db2.gz XNWCTYGNWVRYGI-UHFFFAOYSA-N -1 3 462.515 3.145 50 0 JGAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(I)cc1 ZINC000012782082 195124977 /nfs/dbraw/zinc/12/49/77/195124977.db2.gz UABQOWSVWVDGTQ-CQSZACIVSA-N -1 3 464.350 3.294 50 0 JGAAHM CCN(C(=O)CSc1nc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C1CC1)c1ccccc1C ZINC000012811899 195144801 /nfs/dbraw/zinc/14/48/01/195144801.db2.gz XFSUVBLWAFZVOZ-UHFFFAOYSA-N -1 3 451.552 3.146 50 0 JGAAHM O=C(N[C@@H]1CCOc2ccccc21)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1 ZINC000012896606 195175545 /nfs/dbraw/zinc/17/55/45/195175545.db2.gz MVHVGMDYQLEIIP-CRAIPNDOSA-N -1 3 450.944 3.051 50 0 JGAAHM Cc1cccc(Cn2nnc3c2nc(C2CCN(C(=O)COc4ccc(Cl)cc4)CC2)[n-]c3=O)c1 ZINC000020894559 195238998 /nfs/dbraw/zinc/23/89/98/195238998.db2.gz VKRBQOVYAANQRQ-UHFFFAOYSA-N -1 3 492.967 3.310 50 0 JGAAHM Cn1c2c(c(-c3ccccc3)n3c2[C@@H](c2cc(Br)ccc2[O-])OCC3)c(=O)n(C)c1=O ZINC000021175981 195289775 /nfs/dbraw/zinc/28/97/75/195289775.db2.gz PYNHQMLWJBPINC-OAQYLSRUSA-N -1 3 482.334 3.293 50 0 JGAAHM Cc1ccc(CC(=O)N2CCC[C@H](c3nc4c(nnn4Cc4cccc(Cl)c4)c(=O)[n-]3)C2)cc1 ZINC000021178172 195290856 /nfs/dbraw/zinc/29/08/56/195290856.db2.gz CXQGZPMDHPHAHT-IBGZPJMESA-N -1 3 476.968 3.473 50 0 JGAAHM Cc1noc2nc(-c3ccccc3)cc(C(=O)[N-]c3ncn(CC(=O)N4CCCCCC4)n3)c12 ZINC000058323900 195377544 /nfs/dbraw/zinc/37/75/44/195377544.db2.gz MNSOZIWXXKEWMP-UHFFFAOYSA-N -1 3 459.510 3.445 50 0 JGAAHM O=C(NCCNC(=O)c1ccc([O-])cc1)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F ZINC000059024266 195386770 /nfs/dbraw/zinc/38/67/70/195386770.db2.gz YHRWXYSHCQPXGY-UHFFFAOYSA-N -1 3 452.820 3.410 50 0 JGAAHM CCCn1c2ccc(-c3noc([C@H]([N-]S(=O)(=O)c4ccc(C)cc4)C(C)C)n3)cc2[nH]c(=O)c1=O ZINC000096321510 130064940 /nfs/dbraw/zinc/06/49/40/130064940.db2.gz MXYIXNSORZRBHP-HXUWFJFHSA-N -1 3 497.577 3.134 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2cc(Cl)ccc2OS(=O)(=O)c2ccc(C)cc2)S1 ZINC000020896144 519643304 /nfs/dbraw/zinc/64/33/04/519643304.db2.gz WEORVLBLYVLALY-GOSISDBHSA-N -1 3 467.956 3.417 50 0 JGAAHM CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)OCO3)s1 ZINC000033306421 519702379 /nfs/dbraw/zinc/70/23/79/519702379.db2.gz UXAYQJFZRUEMAE-QPJJXVBHSA-N -1 3 461.521 3.381 50 0 JGAAHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCCCN4CCOCC4)CC3)cc2)cc1 ZINC000033115437 519838845 /nfs/dbraw/zinc/83/88/45/519838845.db2.gz JVHAJUXGZPLLKY-UHFFFAOYSA-N -1 3 485.650 3.481 50 0 JGAAHM CCC[NH+]1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccc(F)cc4)ccc3n2)CC1 ZINC000033256320 519860272 /nfs/dbraw/zinc/86/02/72/519860272.db2.gz SHCMBRPJJOXGGK-UHFFFAOYSA-N -1 3 472.542 3.405 50 0 JGAAHM CCCOc1ccc(C([O-])=C2[C@@H](c3ccc(C(=O)OC)cc3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000016732018 520339766 /nfs/dbraw/zinc/33/97/66/520339766.db2.gz BUIIKNLRUVDFSL-SVMVAKDDSA-N -1 3 480.439 3.366 50 0 JGAAHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3[O-])c(=O)n2[C@@H]1c1ccccc1OC ZINC000006226253 520480710 /nfs/dbraw/zinc/48/07/10/520480710.db2.gz ZKBVAYCISRYKNE-PRWBYUBPSA-N -1 3 484.961 3.166 50 0 JGAAHM CCOC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000012436648 520544899 /nfs/dbraw/zinc/54/48/99/520544899.db2.gz UZJRBXBWJZXSIB-DOTOQJQBSA-N -1 3 476.714 3.400 50 0 JGAAHM CCOC(=O)C1CCN(Cc2nc(=O)c3c4c(sc3[n-]2)CN(Cc2ccccc2)CC4)CC1 ZINC000036156063 520578538 /nfs/dbraw/zinc/57/85/38/520578538.db2.gz VWPTYEOCYGBSDD-UHFFFAOYSA-N -1 3 466.607 3.318 50 0 JGAAHM CCCCNC(=O)CN1CCN(Cc2nc(=O)c3c(-c4ccccc4Cl)csc3[n-]2)CC1 ZINC000022805029 520617407 /nfs/dbraw/zinc/61/74/07/520617407.db2.gz CLJFXLDQLQOKHQ-UHFFFAOYSA-N -1 3 474.030 3.339 50 0 JGAAHM CC1CCN(C(=O)c2ccc(N3CCNCC3)c([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000033033079 520988024 /nfs/dbraw/zinc/98/80/24/520988024.db2.gz PWMFTAASAVHRTC-UHFFFAOYSA-N -1 3 477.030 3.423 50 0 JGAAHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@@H](c3ccc4c(c3)OCCO4)C(C)C)cc(C3CC3)nc21 ZINC000024749186 521614818 /nfs/dbraw/zinc/61/48/18/521614818.db2.gz HTNHFKIBDIXVRS-JOCHJYFZSA-N -1 3 478.549 3.271 50 0 JGAAHM CCS(=O)(=O)[N-]c1cc2nc(-c3ccccc3)n(C)c2c(C(=O)NCCCn2cccn2)c1 ZINC000012246329 521684483 /nfs/dbraw/zinc/68/44/83/521684483.db2.gz NAVIJSDRBZITIQ-UHFFFAOYSA-N -1 3 466.567 3.019 50 0 JGAAHM CCS(=O)(=O)[N-]c1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)n2)cc1 ZINC000065010377 521684651 /nfs/dbraw/zinc/68/46/51/521684651.db2.gz XNFVWQAQVROIMI-UHFFFAOYSA-N -1 3 490.607 3.375 50 0 JGAAHM CN(C)[C@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)c1ccccc1 ZINC000033028957 522083249 /nfs/dbraw/zinc/08/32/49/522083249.db2.gz LEDFCQHSUSWRAT-JOCHJYFZSA-N -1 3 481.574 3.291 50 0 JGAAHM CC[C@@H](C)NC(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000033033976 522214457 /nfs/dbraw/zinc/21/44/57/522214457.db2.gz ARUDDXWDRNCCOS-GOSISDBHSA-N -1 3 470.639 3.304 50 0 JGAAHM COC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000002876537 522271604 /nfs/dbraw/zinc/27/16/04/522271604.db2.gz YXFBVQKQQMLGOW-UHFFFAOYSA-N -1 3 458.467 3.431 50 0 JGAAHM CCc1nc(CN2C(=O)COc3cc(S(=O)(=O)[N-]CCC4=CCCCC4)c(Cl)cc32)no1 ZINC000065022465 522293559 /nfs/dbraw/zinc/29/35/59/522293559.db2.gz VWQCEXSDJNOQAV-UHFFFAOYSA-N -1 3 480.974 3.380 50 0 JGAAHM COC(=O)c1sc2[n-]c(CN(Cc3ccccc3)C[C@H](O)COCC(C)C)nc(=O)c2c1C ZINC000036206934 522435109 /nfs/dbraw/zinc/43/51/09/522435109.db2.gz TUGTTWISRWKUDP-SFHVURJKSA-N -1 3 473.595 3.115 50 0 JGAAHM COC(=O)c1sc2[n-]c(CN(Cc3ccccc3)C[C@@H](O)COC(C)(C)C)nc(=O)c2c1C ZINC000036206937 522435323 /nfs/dbraw/zinc/43/53/23/522435323.db2.gz YSRWFGZHAHXMCE-QGZVFWFLSA-N -1 3 473.595 3.258 50 0 JGAAHM COC(=O)CN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3ccc([O-])c(Cl)c3)CC2)C1=O ZINC000014755276 523170413 /nfs/dbraw/zinc/17/04/13/523170413.db2.gz GQISWHXWIQIHAY-UHFFFAOYSA-N -1 3 485.968 3.060 50 0 JGAAHM COc1ccc(-n2nc(-c3n[n-]c(-c4cccnc4)n3)c(N3CCN(c4ccccc4)CC3)n2)cc1 ZINC000033435939 523341284 /nfs/dbraw/zinc/34/12/84/523341284.db2.gz HDDVPJRJJIXQRH-UHFFFAOYSA-N -1 3 479.548 3.450 50 0 JGAAHM CCc1cc2c(CN3CCN(Cc4nc(-c5ccc(OC)cc5)no4)CC3)cc(=O)oc2cc1[O-] ZINC000022826778 523844882 /nfs/dbraw/zinc/84/48/82/523844882.db2.gz ZCZKXRHNSZLIHG-UHFFFAOYSA-N -1 3 476.533 3.437 50 0 JGAAHM CN1CCN2c3ccc(C(F)(F)F)cc3C[C@]3(C(=O)[N-]C(=O)N(c4ccccc4)C3=O)[C@@H]2C1 ZINC000036056368 523931290 /nfs/dbraw/zinc/93/12/90/523931290.db2.gz NLFBERLHILQLTK-PGRDOPGGSA-N -1 3 458.440 3.492 50 0 JGAAHM COc1ccc(CN2CCc3nc(SCC(=O)NCc4ccc(C)cc4)[n-]c(=O)c3C2)cc1 ZINC000021810413 524039490 /nfs/dbraw/zinc/03/94/90/524039490.db2.gz ZUVLKVXUIGEFEQ-UHFFFAOYSA-N -1 3 464.591 3.466 50 0 JGAAHM Cc1cc(C)c(S(=O)(=O)NCc2nnc(C(=O)[N-]c3ccc(F)cc3F)s2)cc1C ZINC000064991837 524321777 /nfs/dbraw/zinc/32/17/77/524321777.db2.gz JYIOHXYPXFFSEJ-UHFFFAOYSA-N -1 3 452.508 3.472 50 0 JGAAHM COc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC(Cc5ccccc5)CC4)[n-]c(=O)c32)cc1 ZINC000012409713 524591208 /nfs/dbraw/zinc/59/12/08/524591208.db2.gz ULUZRVRYDNTDMI-OAQYLSRUSA-N -1 3 487.560 3.302 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCC(C)(C)N3C[C@H](C)O[C@@H](C)C3)c2)cc1 ZINC000022433199 524695458 /nfs/dbraw/zinc/69/54/58/524695458.db2.gz AOEJLPLWVULBOH-ROUUACIJSA-N -1 3 475.611 3.114 50 0 JGAAHM C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)[N-]n3cnc4ccc(Cl)cc4c3=O)c2)C1 ZINC000016263800 524886951 /nfs/dbraw/zinc/88/69/51/524886951.db2.gz GBPCDSYCKXIFHU-GJZGRUSLSA-N -1 3 474.970 3.100 50 0 JGAAHM Cc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)N2CCC[C@H](C)C2)ccc1N1CCNCC1 ZINC000033033512 525331715 /nfs/dbraw/zinc/33/17/15/525331715.db2.gz YYEXMVFAQBSGJN-SFHVURJKSA-N -1 3 456.612 3.078 50 0 JGAAHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC3CCCC3)ccc2N2CCNCC2)c(C)c1 ZINC000033034259 525592519 /nfs/dbraw/zinc/59/25/19/525592519.db2.gz PSOMEFBFNXQFDR-UHFFFAOYSA-N -1 3 456.612 3.186 50 0 JGAAHM Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nc3c(cnn3CCO)c(=O)[n-]2)cc1 ZINC000016837856 525795208 /nfs/dbraw/zinc/79/52/08/525795208.db2.gz POEFQGCICGKVEP-SFHVURJKSA-N -1 3 494.602 3.364 50 0 JGAAHM Cc1ccc(C=CS(=O)(=O)[N-]CC(=O)OCC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1 ZINC000033502087 525963467 /nfs/dbraw/zinc/96/34/67/525963467.db2.gz JNTFUNQMCCZMBA-SEYXRHQNSA-N -1 3 472.563 3.296 50 0 JGAAHM COc1cccc(Cn2nnc3c2nc([C@H]2CCCN(C(=O)c4ccccc4Cl)C2)[n-]c3=O)c1 ZINC000008611580 526111261 /nfs/dbraw/zinc/11/12/61/526111261.db2.gz CYBMUTHJOSTTOV-INIZCTEOSA-N -1 3 478.940 3.245 50 0 JGAAHM O=C(NCCN1C(=O)SC(=Cc2ccc(OC(F)F)cc2)C1=O)c1ccc2n[n-]nc2c1 ZINC000016496266 526300070 /nfs/dbraw/zinc/30/00/70/526300070.db2.gz WUNSRFDFPLXXPE-SXGWCWSVSA-N -1 3 459.434 3.026 50 0 JGAAHM [O-]c1ccccc1-c1nc(CSc2nnc(N3CCOCC3)n2-c2cccc(F)c2)no1 ZINC000048354617 526368361 /nfs/dbraw/zinc/36/83/61/526368361.db2.gz FXOHFRBIYXHZNK-UHFFFAOYSA-N -1 3 454.487 3.291 50 0 JGAAHM Cc1noc(C)c1S(=O)(=O)N1CCC(c2nnc(C(=O)[N-]c3ccccc3F)s2)CC1 ZINC000033273305 526548482 /nfs/dbraw/zinc/54/84/82/526548482.db2.gz VOISHOLTDXMBCB-UHFFFAOYSA-N -1 3 465.532 3.103 50 0 JGAAHM O=C(NC[C@H](c1ccco1)N1CCCC1)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000009378508 526579909 /nfs/dbraw/zinc/57/99/09/526579909.db2.gz INLREVKYZWUKMY-HXUWFJFHSA-N -1 3 483.546 3.376 50 0 JGAAHM O=C(CN1C(=O)S/C(=C\c2cc(Cl)ccc2[O-])C1=O)N1CCN(c2ccccc2)CC1 ZINC000033349811 526715285 /nfs/dbraw/zinc/71/52/85/526715285.db2.gz LTWGPYDTJMAGQO-UYRXBGFRSA-N -1 3 457.939 3.431 50 0 JGAAHM O=C(NCc1cccc(F)c1)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000033034425 526720083 /nfs/dbraw/zinc/72/00/83/526720083.db2.gz NYKZUDMWRSWBPP-UHFFFAOYSA-N -1 3 486.544 3.105 50 0 JGAAHM O=C(NCc1ccccc1Cl)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000033034062 526748835 /nfs/dbraw/zinc/74/88/35/526748835.db2.gz PJHXOPBOLAGOOW-UHFFFAOYSA-N -1 3 485.009 3.480 50 0 JGAAHM O=C([N-]N1C(=O)c2ccccc2C1=O)c1ccc2c(c1)C(=O)N(c1ccc(Br)cc1)C2=O ZINC000008442936 526841825 /nfs/dbraw/zinc/84/18/25/526841825.db2.gz RCKFBSITBLVJLD-UHFFFAOYSA-N -1 3 490.269 3.191 50 0 JGAAHM Cc1sc2nc(-c3cccc(NC(=O)CN4CCN(C[C@@H]5CCCO5)CC4)c3)[n-]c(=O)c2c1C ZINC000022781347 526887066 /nfs/dbraw/zinc/88/70/66/526887066.db2.gz LOAYKSTZHWCBMF-FQEVSTJZSA-N -1 3 481.622 3.004 50 0 JGAAHM Cn1c2cc([N-]C(=O)c3c(F)cccc3F)c(S(=O)(=O)c3ccccc3)cc2n(C)c1=O ZINC000045961176 527095637 /nfs/dbraw/zinc/09/56/37/527095637.db2.gz FDYILQTUIRJHDC-UHFFFAOYSA-N -1 3 457.458 3.240 50 0 JGAAHM CCOC(=O)c1sc([N-]C(=O)c2cc3ncc(Br)cn3n2)c(C(=O)OCC)c1C ZINC000000844907 553795083 /nfs/dbraw/zinc/79/50/83/553795083.db2.gz LIXGGDWSPBWYBH-UHFFFAOYSA-N -1 3 481.328 3.467 50 0 JGAAHM O=C(NN1C(=O)/C(=C2\C(=O)Nc3ccc(Br)cc32)SC1=S)c1cccc([O-])c1 ZINC000002573386 554236951 /nfs/dbraw/zinc/23/69/51/554236951.db2.gz HSDJTBPOEYCZFH-BUHFOSPRSA-N -1 3 476.333 3.023 50 0 JGAAHM Cc1ccc(-n2ncc3c2nc(SCC(=O)N2CCN(c4ccccc4)CC2)[n-]c3=O)cc1C ZINC000002718054 554303144 /nfs/dbraw/zinc/30/31/44/554303144.db2.gz VZVYFMGKSZDMSX-UHFFFAOYSA-N -1 3 474.590 3.167 50 0 JGAAHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3[O-])c(=O)n2[C@H]1c1ccccc1 ZINC000008424823 554579981 /nfs/dbraw/zinc/57/99/81/554579981.db2.gz DKXMSTALKWZLEO-YWFITGJYSA-N -1 3 454.935 3.157 50 0 JGAAHM Cc1ccc(-n2c(=O)[n-]c(=O)c3c2NC(c2cccnc2)=NC3(C(F)(F)F)C(F)(F)F)cc1 ZINC000008445406 554594826 /nfs/dbraw/zinc/59/48/26/554594826.db2.gz AGISZQHIZLRIDO-UHFFFAOYSA-N -1 3 469.345 3.421 50 0 JGAAHM COc1ccc(F)cc1S(=O)(=O)[N-]C[C@@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1 ZINC000008601883 554603131 /nfs/dbraw/zinc/60/31/31/554603131.db2.gz LQGKFCWYHSAMMW-IBGZPJMESA-N -1 3 457.476 3.060 50 0 JGAAHM C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1cccc(S(=O)(=O)[N-]c3ccccc3F)c1)C2=O ZINC000008744955 554648271 /nfs/dbraw/zinc/64/82/71/554648271.db2.gz PNSFCRSFIGNNDC-WNSKOXEYSA-N -1 3 488.541 3.066 50 0 JGAAHM CCCNC(=O)[C@@H](C)NC(=O)[C@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000008753753 554655490 /nfs/dbraw/zinc/65/54/90/554655490.db2.gz BKNKVEVNFRFETM-KGLIPLIRSA-N -1 3 458.609 3.304 50 0 JGAAHM COc1cc([C@@H]2c3c(-c4cc(C)c(C)cc4O)n[nH]c3C(=O)N2CCO)cc(Br)c1[O-] ZINC000008845336 554742314 /nfs/dbraw/zinc/74/23/14/554742314.db2.gz QVSYGDOBBCLHSG-HXUWFJFHSA-N -1 3 488.338 3.413 50 0 JGAAHM O=S(=O)(CCc1ccccc1)[N-]C[C@H](c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000009006081 554860467 /nfs/dbraw/zinc/86/04/67/554860467.db2.gz IGDXJNSNDPVJCN-OAQYLSRUSA-N -1 3 464.996 3.412 50 0 JGAAHM Cc1ccccc1C(=O)N1CCC(C(=O)O[C@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)CC1 ZINC000009155276 554945438 /nfs/dbraw/zinc/94/54/38/554945438.db2.gz VWKCUTPSOOHDHI-QGZVFWFLSA-N -1 3 472.563 3.033 50 0 JGAAHM Cc1ccc(CC(=O)N2CCC(c3nc4c(nnn4Cc4ccc(F)cc4)c(=O)[n-]3)CC2)cc1 ZINC000009250505 555023661 /nfs/dbraw/zinc/02/36/61/555023661.db2.gz ZFXSKGAQVQXWHW-UHFFFAOYSA-N -1 3 460.513 3.371 50 0 JGAAHM O=C(CSc1nc2sc3c(c2c(=O)[n-]1)CCCC3)N1CCN(c2ccccc2F)CC1 ZINC000009264455 555039621 /nfs/dbraw/zinc/03/96/21/555039621.db2.gz AAEFEUWMANJPDK-UHFFFAOYSA-N -1 3 458.584 3.443 50 0 JGAAHM CCOC(=O)N1CCC([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)CC1 ZINC000009268791 555043973 /nfs/dbraw/zinc/04/39/73/555043973.db2.gz WADISLYRJVODRC-UHFFFAOYSA-N -1 3 453.464 3.321 50 0 JGAAHM CC[C@@H](Sc1nnnn1-c1ccccc1)C(=O)[N-]C1=NN=C(c2ccc(C)cc2)CS1 ZINC000009408702 555171627 /nfs/dbraw/zinc/17/16/27/555171627.db2.gz GYFINYNELYCNQR-GOSISDBHSA-N -1 3 451.581 3.465 50 0 JGAAHM CN(C)[C@@H](CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1)c1ccccc1 ZINC000009468069 555246708 /nfs/dbraw/zinc/24/67/08/555246708.db2.gz UIULWVHCFKBCSQ-NRFANRHFSA-N -1 3 467.547 3.249 50 0 JGAAHM CCS(=O)(=O)[N-]c1cccc(S(=O)(=O)Nc2cc(C)ccc2I)c1 ZINC000009491285 555268547 /nfs/dbraw/zinc/26/85/47/555268547.db2.gz WHZRXAUMIGHZEF-UHFFFAOYSA-N -1 3 480.349 3.162 50 0 JGAAHM Cc1ccc([N-]S(=O)(=O)c2cc(NC(=O)Cn3[nH]c(=O)c4ccccc4c3=O)ccc2C)c(C)c1 ZINC000009509993 555298775 /nfs/dbraw/zinc/29/87/75/555298775.db2.gz ZFAWRCYCWFBLLU-UHFFFAOYSA-N -1 3 492.557 3.055 50 0 JGAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCC1CCN(Cc2ccccc2F)CC1 ZINC000009528485 555322555 /nfs/dbraw/zinc/32/25/55/555322555.db2.gz UPUFGRSQSBXGEL-NRFANRHFSA-N -1 3 467.632 3.219 50 0 JGAAHM Cc1nc2ccccc2c(=O)n1[N-]C(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 ZINC000009562777 555364330 /nfs/dbraw/zinc/36/43/30/555364330.db2.gz CVUGOYHGYHLEAF-MRXNPFEDSA-N -1 3 474.542 3.229 50 0 JGAAHM C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccnc2)c1)c1ccc2c(c1)OCCO2 ZINC000009671518 555391108 /nfs/dbraw/zinc/39/11/08/555391108.db2.gz RUFWUBVGGCIODF-HNNXBMFYSA-N -1 3 487.965 3.476 50 0 JGAAHM C[C@H](OC(=O)CNC(=O)c1sc2ccccc2c1Cl)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000009672322 555394128 /nfs/dbraw/zinc/39/41/28/555394128.db2.gz HWKPZLSIPKZRFQ-LBPRGKRZSA-N -1 3 494.978 3.471 50 0 JGAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)OCc1nc(-c2ccc(Cl)cc2)no1 ZINC000009684230 555413049 /nfs/dbraw/zinc/41/30/49/555413049.db2.gz XZKCRQDTCZBSLC-MRXNPFEDSA-N -1 3 455.945 3.498 50 0 JGAAHM O=C(Nc1ccc(F)cc1F)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000009692407 555419297 /nfs/dbraw/zinc/41/92/97/555419297.db2.gz KNKHFJBXLJTRFH-SFHVURJKSA-N -1 3 474.514 3.498 50 0 JGAAHM COc1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccc3nsnc32)cc1 ZINC000009692382 555419345 /nfs/dbraw/zinc/41/93/45/555419345.db2.gz UQMQIQBVDDMXQS-IBGZPJMESA-N -1 3 468.560 3.228 50 0 JGAAHM COc1ccc(NC(=O)[C@H]([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)c(OC)c1 ZINC000009610552 555441082 /nfs/dbraw/zinc/44/10/82/555441082.db2.gz RMBKLEFFPKHICT-XMMPIXPASA-N -1 3 495.557 3.247 50 0 JGAAHM CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(C)cc3Br)ccc21 ZINC000009611547 555443710 /nfs/dbraw/zinc/44/37/10/555443710.db2.gz DJZPCKBZNCQJTB-UHFFFAOYSA-N -1 3 469.313 3.029 50 0 JGAAHM COc1ccc(F)cc1S(=O)(=O)[N-]C[C@@H](c1ccco1)S(=O)(=O)c1ccc(C)cc1 ZINC000009740614 555471888 /nfs/dbraw/zinc/47/18/88/555471888.db2.gz DBLZZFAYANSHKD-FQEVSTJZSA-N -1 3 453.513 3.229 50 0 JGAAHM COc1ccc(F)cc1S(=O)(=O)[N-]C[C@H](c1cccs1)S(=O)(=O)c1ccccc1 ZINC000009741790 555473056 /nfs/dbraw/zinc/47/30/56/555473056.db2.gz DXIXEURBBHNBAA-LJQANCHMSA-N -1 3 455.554 3.389 50 0 JGAAHM CC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)[N-]C4CC4)c3)CC2)c(F)c1 ZINC000009780844 555500630 /nfs/dbraw/zinc/50/06/30/555500630.db2.gz NJCQKWXYZXIQQF-UHFFFAOYSA-N -1 3 479.961 3.085 50 0 JGAAHM CN(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1)c1ccccc1 ZINC000009795278 555512809 /nfs/dbraw/zinc/51/28/09/555512809.db2.gz YOAIOMYADYARGB-NRFANRHFSA-N -1 3 467.547 3.249 50 0 JGAAHM O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000009796973 555513972 /nfs/dbraw/zinc/51/39/72/555513972.db2.gz OJHYUOKENSBSCU-UHFFFAOYSA-N -1 3 475.586 3.391 50 0 JGAAHM CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)c1 ZINC000009798808 555515447 /nfs/dbraw/zinc/51/54/47/555515447.db2.gz APJCOJNZTLXTJM-UHFFFAOYSA-N -1 3 490.969 3.065 50 0 JGAAHM COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(I)c1[O-] ZINC000009805481 555517503 /nfs/dbraw/zinc/51/75/03/555517503.db2.gz RMWOMBNVIOPDDJ-VGOFMYFVSA-N -1 3 468.222 3.237 50 0 JGAAHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc4c(c3)OCO4)cc2)c1 ZINC000010078032 555616087 /nfs/dbraw/zinc/61/60/87/555616087.db2.gz QTYUSJBRYHYRSK-UHFFFAOYSA-N -1 3 454.504 3.220 50 0 JGAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)CSc2nnc(-c3ccc(Br)cc3)n2C)N1 ZINC000013960029 555663210 /nfs/dbraw/zinc/66/32/10/555663210.db2.gz YUBLSOUHPGFIBK-HNNXBMFYSA-N -1 3 478.294 3.196 50 0 JGAAHM O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000010293980 555674471 /nfs/dbraw/zinc/67/44/71/555674471.db2.gz PEMXOIARSVCWIE-UHFFFAOYSA-N -1 3 450.322 3.306 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1cc(Cl)ccc1N(CCOc1ccccc1C)C2=O ZINC000010335701 555690611 /nfs/dbraw/zinc/69/06/11/555690611.db2.gz UBMFFVQFCHNXPX-JOCHJYFZSA-N -1 3 472.954 3.229 50 0 JGAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(C)CC(=O)Nc1cccc2ccccc21 ZINC000014230485 555736972 /nfs/dbraw/zinc/73/69/72/555736972.db2.gz GTDQZPXQMIAOIH-NRFANRHFSA-N -1 3 459.593 3.301 50 0 JGAAHM COc1ccc(CN2C(=O)[C@]3(SC([N-]C(C)=O)=NN3C(C)=O)c3cc(C)cc(C)c32)cc1 ZINC000011692638 555801647 /nfs/dbraw/zinc/80/16/47/555801647.db2.gz WLJCXPBCTZZLFE-HSZRJFAPSA-N -1 3 452.536 3.014 50 0 JGAAHM Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)[N-]c1ccccc1C(C)(C)C ZINC000011858134 555837310 /nfs/dbraw/zinc/83/73/10/555837310.db2.gz XKOZRMMPNSENAM-UHFFFAOYSA-N -1 3 450.582 3.468 50 0 JGAAHM Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1 ZINC000011858152 555837413 /nfs/dbraw/zinc/83/74/13/555837413.db2.gz VJFTWRORRBYCRX-UHFFFAOYSA-N -1 3 462.471 3.190 50 0 JGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(N4CCOCC4)nc(C)n3)cc2)cc1 ZINC000021794897 555856297 /nfs/dbraw/zinc/85/62/97/555856297.db2.gz ISDABEBFCVVTOA-UHFFFAOYSA-N -1 3 455.540 3.175 50 0 JGAAHM CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000022044381 555865924 /nfs/dbraw/zinc/86/59/24/555865924.db2.gz CIEMWDZQEXKOMP-GFCCVEGCSA-N -1 3 473.334 3.045 50 0 JGAAHM CC[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)C1=O ZINC000015497142 555911393 /nfs/dbraw/zinc/91/13/93/555911393.db2.gz HZEDUKRAJUVEHU-VWLOTQADSA-N -1 3 492.557 3.014 50 0 JGAAHM Cc1ccc(Cn2nnc3c2nc([C@@H]2CCCN(C(=O)COc4ccccc4)C2)[n-]c3=O)cc1 ZINC000015669712 555924290 /nfs/dbraw/zinc/92/42/90/555924290.db2.gz IYCFVNYCQIRLJD-LJQANCHMSA-N -1 3 458.522 3.069 50 0 JGAAHM O=S(=O)([N-]C[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1)c1cccs1 ZINC000022851649 555958302 /nfs/dbraw/zinc/95/83/02/555958302.db2.gz FKTWOPFJAMEIOY-HXUWFJFHSA-N -1 3 471.604 3.319 50 0 JGAAHM CCc1nc2sc([C@@H](c3ccc(OC)c(OC)c3)N3CCC(C(=O)OC)CC3)c([O-])n2n1 ZINC000022853694 555960601 /nfs/dbraw/zinc/96/06/01/555960601.db2.gz VUZBEZISEMBOCB-GOSISDBHSA-N -1 3 460.556 3.050 50 0 JGAAHM O=C(Nc1ccccc1)C1CC(=O)Nc2nc(N3CCC(Cc4ccccc4)CC3)[n-]c(=O)c21 ZINC000012390853 555973761 /nfs/dbraw/zinc/97/37/61/555973761.db2.gz FDUOKVLFWBMISB-FQEVSTJZSA-N -1 3 457.534 3.294 50 0 JGAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000015783169 556001345 /nfs/dbraw/zinc/00/13/45/556001345.db2.gz CITSUDHFCPAVEH-OAQYLSRUSA-N -1 3 499.102 3.033 50 0 JGAAHM CCOC(=O)C1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2ccc(OC)c(OC)c2)CC1 ZINC000023157089 556025542 /nfs/dbraw/zinc/02/55/42/556025542.db2.gz HEKLZPMWTCAHRL-SFHVURJKSA-N -1 3 460.556 3.187 50 0 JGAAHM CCN(CC)S(=O)(=O)c1ccc(=N[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)[nH]c1 ZINC000023216708 556031482 /nfs/dbraw/zinc/03/14/82/556031482.db2.gz KGQZOGFVINILCR-UHFFFAOYSA-N -1 3 486.925 3.090 50 0 JGAAHM COc1cc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)cc(OC)c1OC ZINC000015865783 556042218 /nfs/dbraw/zinc/04/22/18/556042218.db2.gz UNIBAMNYMWTYHV-KRWDZBQOSA-N -1 3 476.576 3.302 50 0 JGAAHM COc1ccc(NC(=O)[C@H](NC(C)=O)C(C)C)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000015897946 556061989 /nfs/dbraw/zinc/06/19/89/556061989.db2.gz IUMSQYFQMPRBBC-LJQANCHMSA-N -1 3 453.948 3.249 50 0 JGAAHM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)NCc1ccccc1CN1CCOCC1 ZINC000023956229 556104854 /nfs/dbraw/zinc/10/48/54/556104854.db2.gz LFEBSVFGYLCCMI-UHFFFAOYSA-N -1 3 497.592 3.318 50 0 JGAAHM COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)[N-]CC(F)(F)F)c1 ZINC000024083297 556120701 /nfs/dbraw/zinc/12/07/01/556120701.db2.gz YUIDTUJYJHYPSO-CYBMUJFWSA-N -1 3 474.457 3.028 50 0 JGAAHM CCN(C(=O)[C@H](C)OC(=O)c1ccccc1SC[C@]1(C)NC(=O)[N-]C1=O)C1CCCCC1 ZINC000024164035 556124769 /nfs/dbraw/zinc/12/47/69/556124769.db2.gz KPGCQRRUIDLWAH-WNSKOXEYSA-N -1 3 461.584 3.103 50 0 JGAAHM C[C@H](NC(=O)CCSc1nc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C1CC1)c1ccccc1 ZINC000012916142 556135497 /nfs/dbraw/zinc/13/54/97/556135497.db2.gz SOSMQALNMPNLHB-ZDUSSCGKSA-N -1 3 451.552 3.052 50 0 JGAAHM O=C(NCc1ccc(OC(F)(F)F)cc1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000012997889 556190523 /nfs/dbraw/zinc/19/05/23/556190523.db2.gz RIWVQFPVFHTKMO-UHFFFAOYSA-N -1 3 463.503 3.299 50 0 JGAAHM CN1CCN2c3ccccc3C[C@@]3(C(=O)[N-]C(=O)N(c4cccc(C(F)(F)F)c4)C3=O)[C@@H]2C1 ZINC000016974097 556192931 /nfs/dbraw/zinc/19/29/31/556192931.db2.gz WCENQFFHLMJQPZ-AVRDEDQJSA-N -1 3 458.440 3.492 50 0 JGAAHM COC(=O)c1ccc(NC(=O)CSc2nc3c(cnn3-c3ccccc3OC)c(=O)[n-]2)cc1 ZINC000016974272 556193269 /nfs/dbraw/zinc/19/32/69/556193269.db2.gz ANOZGQIGLLFSHR-UHFFFAOYSA-N -1 3 465.491 3.047 50 0 JGAAHM Cc1cccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCC(=O)c2ccc(Cl)cc2)c1 ZINC000017135591 556222281 /nfs/dbraw/zinc/22/22/81/556222281.db2.gz AGVVMOAWIOHNEK-UHFFFAOYSA-N -1 3 467.938 3.172 50 0 JGAAHM CCOc1ccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCc2ccccc2F)cc1 ZINC000017315299 556256993 /nfs/dbraw/zinc/25/69/93/556256993.db2.gz FNMMEYICYIVFDW-UHFFFAOYSA-N -1 3 453.499 3.065 50 0 JGAAHM C[C@@H](OC(=O)c1cc(Cl)c2c(c1)OCCCO2)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000026572089 556257440 /nfs/dbraw/zinc/25/74/40/556257440.db2.gz HBVUCAFOTAMIGG-GFCCVEGCSA-N -1 3 453.900 3.301 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CNC(=O)NCc3ccccc3)ccc2C)cc1 ZINC000027063545 556273562 /nfs/dbraw/zinc/27/35/62/556273562.db2.gz ALCBGFGXLZGKRI-UHFFFAOYSA-N -1 3 482.562 3.242 50 0 JGAAHM Cc1ccc(N2C(=O)C3=C(C(O)n4nnc5ccccc54)N4c5ccccc5C=C[C@H]4C3=C2[O-])cc1 ZINC000017995898 556275170 /nfs/dbraw/zinc/27/51/70/556275170.db2.gz SMELYNXPSTVKQP-OJJQZRKESA-N -1 3 475.508 3.470 50 0 JGAAHM Cc1ccc(/C=C/S(=O)(=O)[N-]CC(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)cc1 ZINC000013100637 556300138 /nfs/dbraw/zinc/30/01/38/556300138.db2.gz XTKWJQVAZOUZRR-ZHACJKMWSA-N -1 3 470.519 3.382 50 0 JGAAHM Cc1ccc2nc(COC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]Cc4ccccc4)c3)cc(=O)n2c1 ZINC000013101635 556302019 /nfs/dbraw/zinc/30/20/19/556302019.db2.gz HDSRGNBFLUYLMP-UHFFFAOYSA-N -1 3 497.960 3.492 50 0 JGAAHM CCOC(=O)c1[n-]n(-c2ccccc2C)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000018206502 556310058 /nfs/dbraw/zinc/31/00/58/556310058.db2.gz QSOQWRZUCZCCMM-WMZOPIPTSA-N -1 3 456.296 3.055 50 0 JGAAHM C[C@]1(CSc2ccccc2C(=O)O[C@H](C(=O)N2CCCCC2)c2ccccc2)NC(=O)[N-]C1=O ZINC000028063873 556315274 /nfs/dbraw/zinc/31/52/74/556315274.db2.gz GASBJYSCVWHRIW-NBGIEHNGSA-N -1 3 481.574 3.287 50 0 JGAAHM CN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F ZINC000013113215 556317143 /nfs/dbraw/zinc/31/71/43/556317143.db2.gz ACKHNWZYYDBRDT-CTNGQTDRSA-N -1 3 484.549 3.014 50 0 JGAAHM Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CSc2n[n-]c(-c3cccs3)n2)CC1 ZINC000019314809 556340624 /nfs/dbraw/zinc/34/06/24/556340624.db2.gz LYMAWDYDHZJLFC-UHFFFAOYSA-N -1 3 470.624 3.025 50 0 JGAAHM COc1cc(-c2nc(CSc3nc4c(nc(C)[n-]c4=O)n3C)c(C)o2)cc(OC)c1OC ZINC000019625915 556358620 /nfs/dbraw/zinc/35/86/20/556358620.db2.gz UDDHQXIMPZISOU-UHFFFAOYSA-N -1 3 457.512 3.247 50 0 biogenic,in-vitro JGAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1ccc(N2CCCCC2)c2ccncc12 ZINC000030012079 556362545 /nfs/dbraw/zinc/36/25/45/556362545.db2.gz CLPGJCWXALXKLC-HNNXBMFYSA-N -1 3 457.556 3.135 50 0 JGAAHM O=C([O-])[C@@H](c1c[nH]c2cc(F)ccc21)N1CCN(CCNc2cc(=O)oc3ccccc23)CC1 ZINC000031810719 556406147 /nfs/dbraw/zinc/40/61/47/556406147.db2.gz FWAPLQMGLBOHOU-XMMPIXPASA-N -1 3 464.497 3.269 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)[C@H]3Cc4ccccc4O3)c2)cc1 ZINC000032780800 556493673 /nfs/dbraw/zinc/49/36/73/556493673.db2.gz AZYODQPGOZEBQE-JOCHJYFZSA-N -1 3 454.504 3.447 50 0 JGAAHM O=S(=O)([N-]CCc1cn2c(n1)CCCC2)c1cc(Br)ccc1Br ZINC000032809774 556499620 /nfs/dbraw/zinc/49/96/20/556499620.db2.gz WZYAZEQGGZQRLU-UHFFFAOYSA-N -1 3 463.195 3.265 50 0 JGAAHM C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1)c1nc2ccccc2[nH]1 ZINC000032819149 556503861 /nfs/dbraw/zinc/50/38/61/556503861.db2.gz KNIRAEFJRDUIQD-ZFWWWQNUSA-N -1 3 462.959 3.165 50 0 JGAAHM CCOc1ccccc1NC(=O)[C@@H](OC(=O)C[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000032824402 556505256 /nfs/dbraw/zinc/50/52/56/556505256.db2.gz OXJJWOBTNWBYIS-NRFANRHFSA-N -1 3 474.560 3.348 50 0 JGAAHM COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000032960632 556577323 /nfs/dbraw/zinc/57/73/23/556577323.db2.gz URHCHGCRPUBMRU-UHFFFAOYSA-N -1 3 459.549 3.316 50 0 JGAAHM CC1CCN(CCNC(=O)CCCCCn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)CC1 ZINC000008661798 569592676 /nfs/dbraw/zinc/59/26/76/569592676.db2.gz RDMZEZDCZGWAMN-UHFFFAOYSA-N -1 3 460.600 3.196 50 0 JGAAHM O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000008710365 569595852 /nfs/dbraw/zinc/59/58/52/569595852.db2.gz DZFYJQWBKWKKQZ-OAQYLSRUSA-N -1 3 479.558 3.220 50 0 JGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(CN3C(=O)CSC3=O)cc2)cc1Br ZINC000062579907 569611761 /nfs/dbraw/zinc/61/17/61/569611761.db2.gz ORKLSRVAVOIELI-UHFFFAOYSA-N -1 3 471.354 3.454 50 0 JGAAHM O=C(NCCCNc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl)c1cccc([O-])c1 ZINC000062620510 569613221 /nfs/dbraw/zinc/61/32/21/569613221.db2.gz CXXPAHRBTPQROD-UHFFFAOYSA-N -1 3 467.835 3.237 50 0 JGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(C)nc(N4CCOCC4)n3)cc2)cc1OC ZINC000064801936 569631647 /nfs/dbraw/zinc/63/16/47/569631647.db2.gz CZNJXQXTJIBEDS-UHFFFAOYSA-N -1 3 485.566 3.183 50 0 JGAAHM O=C1COc2cc(S(=O)(=O)[N-]Cc3ccccc3)c(Cl)cc2N1Cc1noc(C2CC2)n1 ZINC000065022555 569649304 /nfs/dbraw/zinc/64/93/04/569649304.db2.gz DWTYDGVQXZXASM-UHFFFAOYSA-N -1 3 474.926 3.005 50 0 JGAAHM CC[C@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cnc1N1CCNCC1 ZINC000065025263 569650539 /nfs/dbraw/zinc/65/05/39/569650539.db2.gz CARGQWLEDOMLFB-SFHVURJKSA-N -1 3 473.643 3.019 50 0 JGAAHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cnc(N3CCNCC3)c(C(=O)N3CCC(C)CC3)c2)cc1 ZINC000065025261 569650605 /nfs/dbraw/zinc/65/06/05/569650605.db2.gz ALDMKRRRPFUSKJ-UHFFFAOYSA-N -1 3 499.681 3.363 50 0 JGAAHM O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)NN=c2[n-]cc(C(F)(F)F)cc2Cl)c1 ZINC000068730954 569691918 /nfs/dbraw/zinc/69/19/18/569691918.db2.gz MYOAIYNHVPAZBM-UHFFFAOYSA-N -1 3 476.786 3.351 50 0 JGAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)cc2)cc1 ZINC000078477845 569706107 /nfs/dbraw/zinc/70/61/07/569706107.db2.gz VSHUYISAUILASO-BXKMTCNYSA-N -1 3 484.578 3.235 50 0 JGAAHM CCCn1c2ccc(-c3noc([C@H]([N-]S(=O)(=O)c4ccccc4)C(C)C)n3)cc2[nH]c1=O ZINC000085618711 569711254 /nfs/dbraw/zinc/71/12/54/569711254.db2.gz YFJJJKRFCSUDEC-LJQANCHMSA-N -1 3 455.540 3.465 50 0 JGAAHM O=c1nc(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)[n-]c2scc(-c3ccccc3)c21 ZINC000089851291 569720059 /nfs/dbraw/zinc/72/00/59/569720059.db2.gz KVXPRCVSWRKISE-UHFFFAOYSA-N -1 3 484.578 3.297 50 0 JGAAHM CCCOc1ccc(C([O-])=C2[C@H](c3ccc(C(=O)OC)cc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000035980660 569742434 /nfs/dbraw/zinc/74/24/34/569742434.db2.gz BUIIKNLRUVDFSL-NPPFBWRTSA-N -1 3 480.439 3.366 50 0 JGAAHM CCOC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c(O)n(-c3ccc(C)cc3)c(=O)c1-2 ZINC000100563774 569764782 /nfs/dbraw/zinc/76/47/82/569764782.db2.gz DJRUJBRYVWIWFO-SJLPKXTDSA-N -1 3 456.296 3.055 50 0 JGAAHM CCOC(=O)c1[n-]n(-c2cccc(C)c2)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000100931205 569776334 /nfs/dbraw/zinc/77/63/34/569776334.db2.gz UUBYEWIMGZRZKS-SJLPKXTDSA-N -1 3 456.296 3.055 50 0 JGAAHM CCOC(=O)c1[n-]n(-c2ccccc2Cl)c2c([O-])n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000100937427 569776637 /nfs/dbraw/zinc/77/66/37/569776637.db2.gz CNNIWPBRDQVNGH-WBVHZDCISA-N -1 3 476.714 3.400 50 0 JGAAHM CCOC(=O)c1[n-]n(-c2ccccc2Cl)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000100937427 569776638 /nfs/dbraw/zinc/77/66/38/569776638.db2.gz CNNIWPBRDQVNGH-WBVHZDCISA-N -1 3 476.714 3.400 50 0 JGAAHM CCOC(=O)c1[n-]n(-c2ccccc2C)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000100945873 569777277 /nfs/dbraw/zinc/77/72/77/569777277.db2.gz QSOQWRZUCZCCMM-SJLPKXTDSA-N -1 3 456.296 3.055 50 0 JGAAHM O=c1c(CN2CCN(c3ccc(F)cc3)CC2)coc([O-])c1CN1CCO[C@H](c2ccccc2)C1 ZINC000101373792 569795058 /nfs/dbraw/zinc/79/50/58/569795058.db2.gz FQINUZILZURSPU-VWLOTQADSA-N -1 3 479.552 3.380 50 0 JGAAHM O=c1occ(CN2CCN(c3ccc(F)cc3)CC2)c([O-])c1CN1CCO[C@H](c2ccccc2)C1 ZINC000101373792 569795059 /nfs/dbraw/zinc/79/50/59/569795059.db2.gz FQINUZILZURSPU-VWLOTQADSA-N -1 3 479.552 3.380 50 0 JGAAHM COc1cc(Cl)c(C)cc1N1C(=O)C[C@@H](N2CCC(C(=O)Nc3ccccc3[O-])CC2)C1=O ZINC000101490853 569799668 /nfs/dbraw/zinc/79/96/68/569799668.db2.gz IHKVSBNKMQGERT-LJQANCHMSA-N -1 3 471.941 3.345 50 0 JGAAHM COc1cccc([C@H](NC(=O)[C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c2nccn2C)c1 ZINC000040040237 569814770 /nfs/dbraw/zinc/81/47/70/569814770.db2.gz FNTKUPDIACBWEN-YJYMSZOUSA-N -1 3 497.404 3.308 50 0 JGAAHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)cc1OC ZINC000040157540 569821631 /nfs/dbraw/zinc/82/16/31/569821631.db2.gz XPOKPDLLPQRFLQ-IBGZPJMESA-N -1 3 487.603 3.498 50 0 JGAAHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)cc1OC ZINC000040157539 569821695 /nfs/dbraw/zinc/82/16/95/569821695.db2.gz XPOKPDLLPQRFLQ-LJQANCHMSA-N -1 3 487.603 3.498 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2cccc(N[C@@H]3CC(=O)N(CCc4ccccc4)C3=O)c2)cc1 ZINC000103092505 569832768 /nfs/dbraw/zinc/83/27/68/569832768.db2.gz WAHQSPKOZDQBKM-HSZRJFAPSA-N -1 3 479.558 3.278 50 0 JGAAHM COc1ccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)c(OC)c1 ZINC000046074768 569843500 /nfs/dbraw/zinc/84/35/00/569843500.db2.gz ODSJVZLFQWKSQM-MRXNPFEDSA-N -1 3 480.546 3.452 50 0 JGAAHM COc1ccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccccc4F)[n-]c(=O)c32)cc1 ZINC000046075335 569844084 /nfs/dbraw/zinc/84/40/84/569844084.db2.gz DVYKBKPGUXBMJV-HNNXBMFYSA-N -1 3 454.483 3.274 50 0 JGAAHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](c2ccsc2)N(C)C)c(Br)c1 ZINC000048313059 569845724 /nfs/dbraw/zinc/84/57/24/569845724.db2.gz CIYAYTXMBBFWIL-OAHLLOKOSA-N -1 3 461.403 3.269 50 0 JGAAHM CCOc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)N[C@H](C)c2ccc(OC)cc2)cc1 ZINC000051316535 569850794 /nfs/dbraw/zinc/85/07/94/569850794.db2.gz QUYHCOOFTLFFMM-OAHLLOKOSA-N -1 3 479.562 3.486 50 0 JGAAHM CCOc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)N[C@H](C)c2ccc(OC)cc2)cc1 ZINC000051316535 569850795 /nfs/dbraw/zinc/85/07/95/569850795.db2.gz QUYHCOOFTLFFMM-OAHLLOKOSA-N -1 3 479.562 3.486 50 0 JGAAHM CN(C)c1ccc(NC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccc(F)c(F)c2)cc1 ZINC000051316784 569851168 /nfs/dbraw/zinc/85/11/68/569851168.db2.gz ACSNHNDEIRWVQB-UHFFFAOYSA-N -1 3 456.478 3.184 50 0 JGAAHM CN(C)c1ccc(NC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccc(F)c(F)c2)cc1 ZINC000051316784 569851169 /nfs/dbraw/zinc/85/11/69/569851169.db2.gz ACSNHNDEIRWVQB-UHFFFAOYSA-N -1 3 456.478 3.184 50 0 JGAAHM O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccc(F)c(F)c1)NCc1ccccc1Cl ZINC000051316829 569851344 /nfs/dbraw/zinc/85/13/44/569851344.db2.gz RBRGDJTVSIGTTQ-UHFFFAOYSA-N -1 3 461.881 3.449 50 0 JGAAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccc(F)c(F)c1)NCc1ccccc1Cl ZINC000051316829 569851345 /nfs/dbraw/zinc/85/13/45/569851345.db2.gz RBRGDJTVSIGTTQ-UHFFFAOYSA-N -1 3 461.881 3.449 50 0 JGAAHM COc1cc([C@@H]2[C@@H](S(=O)(=O)[N-]Cc3cccc(C(F)(F)F)c3)CON2C)cc(OC)c1OC ZINC000105049240 569852534 /nfs/dbraw/zinc/85/25/34/569852534.db2.gz ORZSGLCZUPNCOF-RBUKOAKNSA-N -1 3 490.500 3.138 50 0 JGAAHM O=C1C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@H]3C2=C([O-])N1c1ccccc1F ZINC000247706496 570068737 /nfs/dbraw/zinc/06/87/37/570068737.db2.gz FHZFSVQHORGVGB-ZJZGAYNASA-N -1 3 479.471 3.301 50 0 JGAAHM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2cccc(S(=O)(=O)c3ccc(Cl)cc3)c2)o1 ZINC000001071874 194016348 /nfs/dbraw/zinc/01/63/48/194016348.db2.gz OWDRTOSYPFBOPH-UHFFFAOYSA-N -1 3 483.951 3.421 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)cc2)cc1 ZINC000001128762 194037823 /nfs/dbraw/zinc/03/78/23/194037823.db2.gz LECNAJNIZJTMOA-UHFFFAOYSA-N -1 3 489.575 3.144 50 0 JGAAHM O=C([N-]c1nnc(-c2ccccc2)s1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000001196233 194067354 /nfs/dbraw/zinc/06/73/54/194067354.db2.gz HCYNXAMLRKDUIS-UHFFFAOYSA-N -1 3 464.956 3.132 50 0 JGAAHM O=C(C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccco1)NCc1ccc2c(c1)OCO2 ZINC000002938576 194174497 /nfs/dbraw/zinc/17/44/97/194174497.db2.gz UDLPMDXDOYWKIP-KRWDZBQOSA-N -1 3 462.911 3.388 50 0 JGAAHM COc1cc(S(=O)(=O)[N-]c2ccccc2F)cc(C(=O)OCC(=O)C(C)(C)C)c1OC ZINC000003340832 194290258 /nfs/dbraw/zinc/29/02/58/194290258.db2.gz HCVBOFDRYISHRQ-UHFFFAOYSA-N -1 3 453.488 3.416 50 0 JGAAHM O=C(Nc1nnc(SCc2ccc(Cl)cc2)[n-]1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000003421180 194318613 /nfs/dbraw/zinc/31/86/13/194318613.db2.gz BVHCYEDHJBOLCD-UHFFFAOYSA-N -1 3 493.998 3.024 50 0 JGAAHM O=C(Nc1nc(SCc2ccc(Cl)cc2)n[n-]1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000003421180 194318616 /nfs/dbraw/zinc/31/86/16/194318616.db2.gz BVHCYEDHJBOLCD-UHFFFAOYSA-N -1 3 493.998 3.024 50 0 JGAAHM O=C(Nc1n[n-]c(SCc2ccc(Cl)cc2)n1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000003421180 194318618 /nfs/dbraw/zinc/31/86/18/194318618.db2.gz BVHCYEDHJBOLCD-UHFFFAOYSA-N -1 3 493.998 3.024 50 0 JGAAHM CCOC(=O)N[C@]([N-]c1sc2c(c1C(=O)OC)CCCC2)(C(=O)OCC)C(F)(F)F ZINC000003669996 194357700 /nfs/dbraw/zinc/35/77/00/194357700.db2.gz VPVVNMFEISWAQF-QGZVFWFLSA-N -1 3 452.451 3.393 50 0 biogenic JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1cc(C)ccc1N(CCCOc1ccccc1C)C2=O ZINC000009925806 195024104 /nfs/dbraw/zinc/02/41/04/195024104.db2.gz VGAWRHYDDZVKBH-DEOSSOPVSA-N -1 3 466.563 3.274 50 0 JGAAHM O=C([N-]OCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000012774642 195119891 /nfs/dbraw/zinc/11/98/91/195119891.db2.gz HPBUIEVPHKYRMO-MRXNPFEDSA-N -1 3 453.358 3.098 50 0 JGAAHM O=C(Nc1ccccc1[O-])C1CCN([C@@H]2CC(=O)N(c3ccc(OC(F)(F)F)cc3)C2=O)CC1 ZINC000012798474 195137897 /nfs/dbraw/zinc/13/78/97/195137897.db2.gz JEGBHPTZPZZHSS-GOSISDBHSA-N -1 3 477.439 3.273 50 0 JGAAHM COc1ccc(S(=O)(=O)N2CCC([N-]S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cc1 ZINC000012821681 195149588 /nfs/dbraw/zinc/14/95/88/195149588.db2.gz FIJYFEFRDZXHAN-UHFFFAOYSA-N -1 3 479.407 3.134 50 0 JGAAHM COc1ccc(CN2CCN([C@H](C(=O)[O-])c3c(C)[nH]c4ccccc43)CC2)c(OC)c1OC ZINC000020725745 195207467 /nfs/dbraw/zinc/20/74/67/195207467.db2.gz CMKLEQBYRFEDJJ-QFIPXVFZSA-N -1 3 453.539 3.446 50 0 JGAAHM COc1cc([C@H]2SC([N-]C(C)=O)=NN2C(C)=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000020895544 195239673 /nfs/dbraw/zinc/23/96/73/195239673.db2.gz SMQDKTRPLGDMDN-LJQANCHMSA-N -1 3 497.982 3.426 50 0 JGAAHM O=C(C[N-]S(=O)(=O)/C=C/c1ccccc1)OCC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000020892258 195237528 /nfs/dbraw/zinc/23/75/28/195237528.db2.gz LEIDGPIZDYWRQT-HTXNQAPBSA-N -1 3 492.597 3.391 50 0 JGAAHM O=c1ccc(-c2ccc(S(=O)(=O)[N-]CC3CCN(Cc4ccccc4Cl)CC3)s2)n[nH]1 ZINC000020985116 195260417 /nfs/dbraw/zinc/26/04/17/195260417.db2.gz CKLWROOSVYHXHQ-UHFFFAOYSA-N -1 3 479.027 3.342 50 0 JGAAHM O=C(Cc1ccc(F)cc1)N1CCC(c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[n-]2)CC1 ZINC000021171147 195289423 /nfs/dbraw/zinc/28/94/23/195289423.db2.gz DLWYBYBKSLZEKJ-UHFFFAOYSA-N -1 3 480.931 3.304 50 0 JGAAHM CCOc1ccc(C(=O)N2CCC(c3nc4c(nnn4Cc4ccc(F)cc4)c(=O)[n-]3)CC2)cc1 ZINC000021171122 195289540 /nfs/dbraw/zinc/28/95/40/195289540.db2.gz UQSFXUREOANOCO-UHFFFAOYSA-N -1 3 476.512 3.121 50 0 JGAAHM O=C(c1ccccc1)N1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CC1 ZINC000021224204 195291461 /nfs/dbraw/zinc/29/14/61/195291461.db2.gz FPFUGNFXCOZOAS-UHFFFAOYSA-N -1 3 467.522 3.225 50 0 JGAAHM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCC(C)(C)N3C[C@H](C)O[C@@H](C)C3)c2)cc1 ZINC000021526509 195305180 /nfs/dbraw/zinc/30/51/80/195305180.db2.gz JZARXIQKPOTFRL-OALUTQOASA-N -1 3 459.612 3.413 50 0 JGAAHM Cc1ccc(/C=C\S(=O)(=O)[N-]CC(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)cc1 ZINC000096448522 130082045 /nfs/dbraw/zinc/08/20/45/130082045.db2.gz XTKWJQVAZOUZRR-KHPPLWFESA-N -1 3 470.519 3.382 50 0 JGAAHM O=C(C[N-]S(=O)(=O)/C=C\c1ccccc1)OCC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000096499528 130110110 /nfs/dbraw/zinc/11/01/10/130110110.db2.gz LEIDGPIZDYWRQT-ZPHPHTNESA-N -1 3 492.597 3.391 50 0 JGAAHM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3CC(=O)N2CCCC2)c1 ZINC000033129763 518446816 /nfs/dbraw/zinc/44/68/16/518446816.db2.gz UYIPGHHSOWCHAR-UHFFFAOYSA-N -1 3 455.580 3.410 50 0 JGAAHM CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]C4CC4)c3)ccc21 ZINC000016132094 519631187 /nfs/dbraw/zinc/63/11/87/519631187.db2.gz LCZQFXXRWAEPBI-ZDUSSCGKSA-N -1 3 490.965 3.118 50 0 JGAAHM CCOC(=O)C1CCN(Cc2nc(=O)c3c(-c4ccc(OC)c(OC)c4)csc3[n-]2)CC1 ZINC000036203893 520576446 /nfs/dbraw/zinc/57/64/46/520576446.db2.gz JEWXXYVXBGYPFH-UHFFFAOYSA-N -1 3 457.552 3.444 50 0 JGAAHM CCCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N[C@@H](C)CC)ccc2N2CCNCC2)cc1 ZINC000033034042 521412377 /nfs/dbraw/zinc/41/23/77/521412377.db2.gz LQWYLONQAKGTJA-SFHVURJKSA-N -1 3 458.628 3.378 50 0 JGAAHM CCN(c1ccccc1)S(=O)(=O)c1ccc2ncc(C(=O)NCc3cccnc3)c([O-])c2c1 ZINC000004654433 521500803 /nfs/dbraw/zinc/50/08/03/521500803.db2.gz UPWHEUMTDXPLME-UHFFFAOYSA-N -1 3 462.531 3.068 50 0 JGAAHM CCN1CCN(c2cc(C(=O)[O-])c3cc(NS(=O)(=O)c4ccc(C)c(C)c4)ccc3n2)CC1 ZINC000033256366 521696409 /nfs/dbraw/zinc/69/64/09/521696409.db2.gz CRYVRQXFCFJPKN-UHFFFAOYSA-N -1 3 468.579 3.493 50 0 JGAAHM CCN1CCN(c2cc(C(=O)[O-])c3cc(NS(=O)(=O)c4ccc(C)cc4)ccc3n2)CC1 ZINC000033256346 521696794 /nfs/dbraw/zinc/69/67/94/521696794.db2.gz UICCVGZDZCBGHZ-UHFFFAOYSA-N -1 3 454.552 3.184 50 0 JGAAHM CCc1c(C(=O)OC)sc2[n-]c(CN(Cc3ccccc3)C[C@H](O)COCC(C)C)nc(=O)c12 ZINC000036206725 523705691 /nfs/dbraw/zinc/70/56/91/523705691.db2.gz JQBDPKPMMAXOIP-SFHVURJKSA-N -1 3 487.622 3.369 50 0 JGAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCCCN4CCCC4=O)CC3)cc2)cc1 ZINC000033115347 524016385 /nfs/dbraw/zinc/01/63/85/524016385.db2.gz LPZWSSMAFZGOCW-UHFFFAOYSA-N -1 3 469.607 3.210 50 0 JGAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@H]3C(=O)NC[C@@H]3CCCO3)c2)c(C)c1 ZINC000021662248 524327732 /nfs/dbraw/zinc/32/77/32/524327732.db2.gz LVZFRRKISRZMFQ-GOTSBHOMSA-N -1 3 499.633 3.312 50 0 JGAAHM COc1ccc(NC(=O)CSc2nc3c(nc[n-]c3=O)n2-c2ccc(C)cc2)cc1OC ZINC000012462119 524509656 /nfs/dbraw/zinc/50/96/56/524509656.db2.gz FXOQXDOECXRMKB-UHFFFAOYSA-N -1 3 451.508 3.165 50 0 biogenic,in-vitro JGAAHM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCC(C)(C)N3C[C@@H](C)O[C@H](C)C3)c2)cc1 ZINC000022433202 524696006 /nfs/dbraw/zinc/69/60/06/524696006.db2.gz AOEJLPLWVULBOH-QZTJIDSGSA-N -1 3 475.611 3.114 50 0 JGAAHM Cc1cc(F)ccc1NC(=O)C[N-]S(=O)(=O)c1cc(-c2noc(C3CCC3)n2)cs1 ZINC000033279559 524988948 /nfs/dbraw/zinc/98/89/48/524988948.db2.gz PGXRMIPDFJLXRF-UHFFFAOYSA-N -1 3 450.517 3.430 50 0 JGAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc4c(c3)OCO4)cc2)cc1 ZINC000016293372 525302488 /nfs/dbraw/zinc/30/24/88/525302488.db2.gz HWLGAPAYYPVABG-UHFFFAOYSA-N -1 3 454.504 3.220 50 0 JGAAHM Cc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)N2CCC[C@@H](C)C2)ccc1N1CCNCC1 ZINC000033033509 525332715 /nfs/dbraw/zinc/33/27/15/525332715.db2.gz YYEXMVFAQBSGJN-GOSISDBHSA-N -1 3 456.612 3.078 50 0 JGAAHM Cc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)NCc2ccccc2F)ccc1N1CCNCC1 ZINC000033034404 525333669 /nfs/dbraw/zinc/33/36/69/525333669.db2.gz WCMWOFPBTNUUBX-UHFFFAOYSA-N -1 3 482.581 3.275 50 0 JGAAHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3ccccc3F)ccc2N2CCNCC2)cc1 ZINC000033034391 525594924 /nfs/dbraw/zinc/59/49/24/525594924.db2.gz YOFUJNFLDQGGFL-UHFFFAOYSA-N -1 3 482.581 3.275 50 0 JGAAHM O=C(CN1CCN(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)CC1)N1CCCCCC1 ZINC000022807791 526776985 /nfs/dbraw/zinc/77/69/85/526776985.db2.gz VPSQSRVAZJFXIA-UHFFFAOYSA-N -1 3 465.623 3.172 50 0 JGAAHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)N1CCN(c2ccccn2)CC1 ZINC000033028301 526777190 /nfs/dbraw/zinc/77/71/90/526777190.db2.gz VJCJLALRAMNOSD-UHFFFAOYSA-N -1 3 456.955 3.498 50 0 JGAAHM Cc1sc2nc(-c3cccc(NC(=O)CN4CCN(C[C@H]5CCCO5)CC4)c3)[n-]c(=O)c2c1C ZINC000022781356 526887334 /nfs/dbraw/zinc/88/73/34/526887334.db2.gz LOAYKSTZHWCBMF-HXUWFJFHSA-N -1 3 481.622 3.004 50 0 JGAAHM O=C(CSc1nc2c(c(=O)[n-]1)CN(Cc1ccccc1)CC2)Nc1ccc2c(c1)OCCO2 ZINC000012415431 527056857 /nfs/dbraw/zinc/05/68/57/527056857.db2.gz RLIYOSRCKFGGNN-UHFFFAOYSA-N -1 3 464.547 3.243 50 0 JGAAHM Cc1nc2cc([N-]S(C)(=O)=O)cc(C(=O)N[C@@H]3CCOC(C)(C)C3)c2n1Cc1ccccc1 ZINC000014988808 527129140 /nfs/dbraw/zinc/12/91/40/527129140.db2.gz UEARQTXAFWCMIE-GOSISDBHSA-N -1 3 470.595 3.452 50 0 JGAAHM Cc1nc2sc([C@@H](c3cccc(Br)c3)N3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000022626565 527205962 /nfs/dbraw/zinc/20/59/62/527205962.db2.gz LTFGWXALSIWGBL-OAHLLOKOSA-N -1 3 465.373 3.496 50 0 JGAAHM O=S(=O)([N-]CCCOC[C@H]1CCCO1)c1cc(Br)ccc1Br ZINC000021699772 527216010 /nfs/dbraw/zinc/21/60/10/527216010.db2.gz KSCMWSMVSSWCRJ-GFCCVEGCSA-N -1 3 457.184 3.076 50 0 JGAAHM O=S(=O)([N-]c1ncccn1)c1ccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000016346753 527259687 /nfs/dbraw/zinc/25/96/87/527259687.db2.gz LEVUJZWVFKMZEB-UHFFFAOYSA-N -1 3 482.635 3.228 50 0 JGAAHM O=C([N-]c1nnc(-c2cc(Cl)ccc2Cl)o1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000017155630 527529871 /nfs/dbraw/zinc/52/98/71/527529871.db2.gz YVHKJEWUHSIDSY-UHFFFAOYSA-N -1 3 483.333 3.317 50 0 JGAAHM O=C([O-])[C@@H](CC(=O)Nc1ccc(F)cc1)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000071281962 527642583 /nfs/dbraw/zinc/64/25/83/527642583.db2.gz NCTYLFNYQFYIDT-AWEZNQCLSA-N -1 3 454.424 3.091 50 0 JGAAHM O=C(NCCCN1CCOCC1)C1(c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1 ZINC000033115446 527669366 /nfs/dbraw/zinc/66/93/66/527669366.db2.gz RUKQZTJWSXHLTG-UHFFFAOYSA-N -1 3 496.004 3.150 50 0 JGAAHM CCSCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(Br)c([O-])c(OC)c1 ZINC000002058764 554015597 /nfs/dbraw/zinc/01/55/97/554015597.db2.gz VIEMGDFUHBVTQY-HNNXBMFYSA-N -1 3 459.362 3.430 50 0 JGAAHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCN(c2ccccc2F)CC1 ZINC000002886557 554406764 /nfs/dbraw/zinc/40/67/64/554406764.db2.gz PMIFLHDZKJXYRE-UHFFFAOYSA-N -1 3 469.538 3.354 50 0 JGAAHM O=C(C1CCC(C[N-]S(=O)(=O)c2cccs2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000004126266 554475721 /nfs/dbraw/zinc/47/57/21/554475721.db2.gz QKBQBZRKMWCREJ-UHFFFAOYSA-N -1 3 465.616 3.321 50 0 JGAAHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3[O-])c(=O)n2[C@@H]1c1ccccc1 ZINC000008424820 554579683 /nfs/dbraw/zinc/57/96/83/554579683.db2.gz DKXMSTALKWZLEO-VOMPUTFMSA-N -1 3 454.935 3.157 50 0 JGAAHM C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[N-]c3nnc(Cc4ccc(F)cc4)o3)cc2)C1 ZINC000008921418 554818411 /nfs/dbraw/zinc/81/84/11/554818411.db2.gz QFGRWEQNBXZWBI-OAHLLOKOSA-N -1 3 458.515 3.472 50 0 JGAAHM Cc1c(NC(=O)CSc2n[n-]c(COc3ccccc3C)n2)c(=O)n(-c2ccccc2)n1C ZINC000008937635 554830726 /nfs/dbraw/zinc/83/07/26/554830726.db2.gz NVARXMSRHSHMIO-UHFFFAOYSA-N -1 3 464.551 3.221 50 0 JGAAHM COc1ccc(-c2c3c(c4n2CCO[C@H]4c2cc(Cl)ccc2[O-])n(C)c(=O)n(C)c3=O)cc1 ZINC000008995182 554855620 /nfs/dbraw/zinc/85/56/20/554855620.db2.gz TVCCOJQSNJDJMW-QFIPXVFZSA-N -1 3 467.909 3.193 50 0 JGAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000009094983 554892608 /nfs/dbraw/zinc/89/26/08/554892608.db2.gz WNKSUUXUGZXBHV-UHFFFAOYSA-N -1 3 454.570 3.069 50 0 JGAAHM CN(C)S(=O)(=O)c1cc(NC(=O)CSc2n[n-]c(-c3cccs3)n2)ccc1Cl ZINC000009128728 554925888 /nfs/dbraw/zinc/92/58/88/554925888.db2.gz RFRMORFONAPWGS-UHFFFAOYSA-N -1 3 457.990 3.168 50 0 JGAAHM O=C(Cc1csc(N2CCCC2=O)n1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000009217090 554985541 /nfs/dbraw/zinc/98/55/41/554985541.db2.gz YOODMZSOKPBCNH-UHFFFAOYSA-N -1 3 474.539 3.391 50 0 JGAAHM Cc1ccc(OCC(=O)N2CCC(c3nc4c(nnn4Cc4ccccc4)c(=O)[n-]3)CC2)cc1 ZINC000009250549 555023994 /nfs/dbraw/zinc/02/39/94/555023994.db2.gz VXMJBANNPNPBDN-UHFFFAOYSA-N -1 3 458.522 3.069 50 0 JGAAHM COc1cc(C(=O)[N-]c2nnc(S(=O)(=O)Cc3ccccc3Cl)s2)cc(OC)c1OC ZINC000009305656 555078657 /nfs/dbraw/zinc/07/86/57/555078657.db2.gz MIZUEVFKAZHEFH-UHFFFAOYSA-N -1 3 483.955 3.444 50 0 JGAAHM CCOC(=O)[C@@]([N-]c1sc2c(c1C(=O)OC)CCCCC2)(NC(=O)N(C)C)C(F)(F)F ZINC000009330834 555100825 /nfs/dbraw/zinc/10/08/25/555100825.db2.gz HOUUXZAGRZMRMD-GOSISDBHSA-N -1 3 465.494 3.308 50 0 JGAAHM COc1ccc(-c2nnc([N-]C(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)o2)c(OC)c1 ZINC000009412767 555179793 /nfs/dbraw/zinc/17/97/93/555179793.db2.gz HRRJNZRNKZCYED-OAHLLOKOSA-N -1 3 486.550 3.427 50 0 JGAAHM Cc1cccc2nc(CSc3nc4[n-]ncc4c(=O)n3-c3ccccc3Cl)cc(=O)n12 ZINC000009490626 555266340 /nfs/dbraw/zinc/26/63/40/555266340.db2.gz IDZSBWBNJJKNPG-UHFFFAOYSA-N -1 3 450.911 3.371 50 0 JGAAHM Cc1cccc2nc(CSc3nc4n[n-]cc4c(=O)n3-c3ccccc3Cl)cc(=O)n12 ZINC000009490626 555266343 /nfs/dbraw/zinc/26/63/43/555266343.db2.gz IDZSBWBNJJKNPG-UHFFFAOYSA-N -1 3 450.911 3.371 50 0 JGAAHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1C ZINC000009529536 555323751 /nfs/dbraw/zinc/32/37/51/555323751.db2.gz YVSCFRKBAFFPPN-UHFFFAOYSA-N -1 3 454.552 3.406 50 0 JGAAHM C[C@H](OC(=O)c1ccccc1SC[C@]1(C)NC(=O)[N-]C1=O)C(=O)Nc1ccc(Cl)cc1 ZINC000009544380 555335503 /nfs/dbraw/zinc/33/55/03/555335503.db2.gz AYJWYFYSYWBPQK-QKVFXAPYSA-N -1 3 461.927 3.214 50 0 JGAAHM Cc1cc(C)c(C)c(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)[N-]C2=NCCS2)c1C ZINC000009638429 555346976 /nfs/dbraw/zinc/34/69/76/555346976.db2.gz PYWRWORNFPAECK-FQEVSTJZSA-N -1 3 457.621 3.255 50 0 JGAAHM O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1)Nc1nsc(-c2ccccc2)n1 ZINC000009556740 555351740 /nfs/dbraw/zinc/35/17/40/555351740.db2.gz HKTGQAPDSQHXCE-UHFFFAOYSA-N -1 3 461.532 3.358 50 0 JGAAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1)Nc1nsc(-c2ccccc2)n1 ZINC000009556740 555351744 /nfs/dbraw/zinc/35/17/44/555351744.db2.gz HKTGQAPDSQHXCE-UHFFFAOYSA-N -1 3 461.532 3.358 50 0 JGAAHM CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)COC(=O)c1ccc(Cl)cc1[O-] ZINC000009562237 555362475 /nfs/dbraw/zinc/36/24/75/555362475.db2.gz AQFLPVHJBOWOHS-UHFFFAOYSA-N -1 3 468.915 3.090 50 0 JGAAHM O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000009578978 555381892 /nfs/dbraw/zinc/38/18/92/555381892.db2.gz LZJZKUXAPLXIIT-UHFFFAOYSA-N -1 3 475.998 3.337 50 0 JGAAHM O=C(COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccc(Cl)cc2Cl)C1)c1ccc(F)cc1 ZINC000009591216 555404786 /nfs/dbraw/zinc/40/47/86/555404786.db2.gz OUVARBVRCZJGAT-LBPRGKRZSA-N -1 3 453.253 3.052 50 0 JGAAHM C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccnc2)c1)c1ccc(-n2cncn2)cc1 ZINC000009594568 555410666 /nfs/dbraw/zinc/41/06/66/555410666.db2.gz WHGIDDCWTSQXHC-MRXNPFEDSA-N -1 3 496.980 3.285 50 0 JGAAHM O=C([C@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1)N1CCc2ccccc2C1 ZINC000009692461 555419671 /nfs/dbraw/zinc/41/96/71/555419671.db2.gz PIJXCFJQEACYDE-OAQYLSRUSA-N -1 3 464.572 3.296 50 0 JGAAHM O=C(NCc1ccc(F)cc1)[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000009692528 555420468 /nfs/dbraw/zinc/42/04/68/555420468.db2.gz BFTFWPHNGMFGSC-IBGZPJMESA-N -1 3 456.524 3.166 50 0 JGAAHM Cc1ccc(CNC(=O)[C@@H]([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)cc1 ZINC000009610565 555441352 /nfs/dbraw/zinc/44/13/52/555441352.db2.gz XTSGHOOHODVFJP-DEOSSOPVSA-N -1 3 463.559 3.216 50 0 JGAAHM COc1ccc(CNC(=O)[C@@H](C)Nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cc1 ZINC000009738644 555470091 /nfs/dbraw/zinc/47/00/91/555470091.db2.gz BVQLEUQEWRLORL-QGZVFWFLSA-N -1 3 497.573 3.384 50 0 JGAAHM O=C(c1c[nH]nc1-c1ccc(Cl)cc1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000009756442 555484905 /nfs/dbraw/zinc/48/49/05/555484905.db2.gz BESLNTAEKCIFRV-UHFFFAOYSA-N -1 3 450.973 3.375 50 0 JGAAHM O=C(c1nn(-c2ccc(F)cc2)c2c1CCC2)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000009756447 555484962 /nfs/dbraw/zinc/48/49/62/555484962.db2.gz QNZRCBHQROKGEO-UHFFFAOYSA-N -1 3 474.583 3.145 50 0 JGAAHM CC1CCC2(CC1)NC(=O)N([N-]C(=O)c1ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c1)C2=O ZINC000009767749 555491741 /nfs/dbraw/zinc/49/17/41/555491741.db2.gz QBPGYDSIFCGDSV-UHFFFAOYSA-N -1 3 497.017 3.050 50 0 JGAAHM COc1ccccc1N1C(=O)[C@H]2C(=C1[O-])N(C(=O)c1ccc(C)cc1)N[C@@H]2c1ccc(F)cc1 ZINC000013573585 555512093 /nfs/dbraw/zinc/51/20/93/555512093.db2.gz YRNNIFRCYLSLLR-ZLNRFVROSA-N -1 3 459.477 3.403 50 0 JGAAHM O=c1nc(CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)[n-]c2scc(-c3ccccc3)c21 ZINC000010109514 555619024 /nfs/dbraw/zinc/61/90/24/555619024.db2.gz RSRYMDYTHBLOSZ-LBPRGKRZSA-N -1 3 474.589 3.304 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1cccc(C)c1N(CCCOc1cccc(C)c1)C2=O ZINC000010335553 555690366 /nfs/dbraw/zinc/69/03/66/555690366.db2.gz GAZWXSAVUXLPGY-XMMPIXPASA-N -1 3 466.563 3.274 50 0 JGAAHM CS(=O)(=O)NCCc1ccc(C(=O)[N-]c2nnc(SCc3ccc(F)cc3)s2)s1 ZINC000014118126 555693215 /nfs/dbraw/zinc/69/32/15/555693215.db2.gz DHYSUVLNVYMDRV-UHFFFAOYSA-N -1 3 472.614 3.375 50 0 JGAAHM Cc1ccccc1CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]3CCCO3)c2)CC1 ZINC000014118242 555693331 /nfs/dbraw/zinc/69/33/31/555693331.db2.gz KZVYNDZQQYVVES-NRFANRHFSA-N -1 3 492.041 3.064 50 0 JGAAHM COc1ccc2cc(CN(C)C(=O)COC(=O)c3sccc3S(=O)(=O)[N-]C3CC3)ccc2c1 ZINC000010567176 555727228 /nfs/dbraw/zinc/72/72/28/555727228.db2.gz KQNOASHEHKVOIZ-UHFFFAOYSA-N -1 3 488.587 3.166 50 0 JGAAHM O=C([C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000020235476 555728069 /nfs/dbraw/zinc/72/80/69/555728069.db2.gz MGXWMKZAFYGGKK-QFIPXVFZSA-N -1 3 499.662 3.188 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)N3CCC4(CC3)OCCO4)cc2)cc1 ZINC000020249508 555743874 /nfs/dbraw/zinc/74/38/74/555743874.db2.gz CFGNBKKVIAEYRH-UHFFFAOYSA-N -1 3 463.581 3.032 50 0 JGAAHM C[C@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)c1nc(=O)c2c3c(sc2[n-]1)C[C@H](C)CC3 ZINC000010914242 555747075 /nfs/dbraw/zinc/74/70/75/555747075.db2.gz LNNVNVOCFIJKBR-NEPJUHHUSA-N -1 3 450.520 3.193 50 0 JGAAHM C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011719547 555805762 /nfs/dbraw/zinc/80/57/62/555805762.db2.gz LMQREWKNZVMFTF-CYBMUJFWSA-N -1 3 472.430 3.281 50 0 JGAAHM O=c1[n-]c(=O)n(Cc2cccnc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(c1ccccc1)N2 ZINC000020546807 555806356 /nfs/dbraw/zinc/80/63/56/555806356.db2.gz XNLYBDMQHNRQGL-UHFFFAOYSA-N -1 3 469.345 3.172 50 0 JGAAHM Cc1nc2cc([N-]S(C)(=O)=O)cc(C(=O)NCc3cccc(C)n3)c2n1Cc1ccccc1 ZINC000011790049 555825388 /nfs/dbraw/zinc/82/53/88/555825388.db2.gz HHSUJXPPJNBLCO-UHFFFAOYSA-N -1 3 463.563 3.398 50 0 JGAAHM CC[C@@H](C)N(CC[N-]S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1)Cc1cccs1 ZINC000020583719 555837394 /nfs/dbraw/zinc/83/73/94/555837394.db2.gz QNFQCJRFTHEHLW-CQSZACIVSA-N -1 3 452.627 3.139 50 0 JGAAHM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(CN(C)C)cc2)cc1 ZINC000015140347 555880353 /nfs/dbraw/zinc/88/03/53/555880353.db2.gz WSHQKXJSVGFKSU-UHFFFAOYSA-N -1 3 453.564 3.488 50 0 JGAAHM O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000022900839 555964817 /nfs/dbraw/zinc/96/48/17/555964817.db2.gz MITPUMXNMQBPSR-UHFFFAOYSA-N -1 3 471.510 3.254 50 0 JGAAHM Cc1ccccc1-c1nc2cc(=O)[n-]n2c(SCC(=O)NCCc2ccc(Cl)cc2)n1 ZINC000015732606 555976734 /nfs/dbraw/zinc/97/67/34/555976734.db2.gz XHLLMRGWESLQCW-UHFFFAOYSA-N -1 3 453.955 3.497 50 0 JGAAHM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCCC(=O)NC1CCN(Cc3ccccc3)CC1)c2=O ZINC000012416143 555977484 /nfs/dbraw/zinc/97/74/84/555977484.db2.gz JPHPOGVEHJCMIM-UHFFFAOYSA-N -1 3 494.617 3.033 50 0 JGAAHM CCN1CCN(Cc2ccc([N-]S(=O)(=O)c3ccc4c(c3)NC(=O)[C@@H](C)CS4)cc2)CC1 ZINC000022937277 555990350 /nfs/dbraw/zinc/99/03/50/555990350.db2.gz BGYNKDNSWZCWGM-KRWDZBQOSA-N -1 3 474.652 3.305 50 0 JGAAHM Cc1ccn2c(=O)cc(CNc3ccc([N-]S(=O)(=O)c4ccc5c(c4)OCCO5)cc3)nc2c1 ZINC000012536071 556009005 /nfs/dbraw/zinc/00/90/05/556009005.db2.gz FUGGDDCXICFXBL-UHFFFAOYSA-N -1 3 478.530 3.187 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)S1 ZINC000015832919 556018062 /nfs/dbraw/zinc/01/80/62/556018062.db2.gz LXHRVPWDLSPAFX-QGZVFWFLSA-N -1 3 453.929 3.109 50 0 JGAAHM COc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)cc(OC)c2OC)cn1 ZINC000012554547 556038848 /nfs/dbraw/zinc/03/88/48/556038848.db2.gz QFKIBYKANTYBEZ-UHFFFAOYSA-N -1 3 461.471 3.300 50 0 JGAAHM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC3(N4CCOCC4)CCCCC3)cc2)cc1 ZINC000023426241 556053907 /nfs/dbraw/zinc/05/39/07/556053907.db2.gz IJTBUBMDKTUFKJ-UHFFFAOYSA-N -1 3 499.633 3.455 50 0 JGAAHM COc1ccc(-c2nn3c(nnc3SCC(=O)Nc3cc(Cl)ccc3OC)[n-]c2=O)cc1 ZINC000015882042 556054850 /nfs/dbraw/zinc/05/48/50/556054850.db2.gz LHGUOAREKLJOFP-UHFFFAOYSA-N -1 3 472.914 3.293 50 0 JGAAHM Cc1ccnc(NC(=O)CC[N-]S(=O)(=O)c2cc(Br)ccc2Br)c1 ZINC000012564654 556060927 /nfs/dbraw/zinc/06/09/27/556060927.db2.gz OTPGLLSKKYWLBY-UHFFFAOYSA-N -1 3 477.178 3.222 50 0 JGAAHM COc1ccc(NC(=O)[C@@H](NC(C)=O)C(C)C)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000015897945 556061966 /nfs/dbraw/zinc/06/19/66/556061966.db2.gz IUMSQYFQMPRBBC-IBGZPJMESA-N -1 3 453.948 3.249 50 0 JGAAHM C[C@@H](Sc1nc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C1CC1)C(=O)N(C)Cc1ccccc1 ZINC000023561259 556078468 /nfs/dbraw/zinc/07/84/68/556078468.db2.gz WJQBCAWLMLQHMU-CYBMUJFWSA-N -1 3 451.552 3.244 50 0 JGAAHM O=C(c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000023640724 556081349 /nfs/dbraw/zinc/08/13/49/556081349.db2.gz ULAHALJHNPOEQG-UHFFFAOYSA-N -1 3 474.435 3.454 50 0 JGAAHM O=c1nc(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)[n-]c2scc(-c3ccccc3)c21 ZINC000023967730 556107398 /nfs/dbraw/zinc/10/73/98/556107398.db2.gz RNOJIFCZHOBUCH-UHFFFAOYSA-N -1 3 480.615 3.299 50 0 JGAAHM CC(=O)Nc1cc(-c2csc(Cn3c(CN4CCOCC4)nc4ccccc4c3=O)n2)ccc1[O-] ZINC000023982882 556110414 /nfs/dbraw/zinc/11/04/14/556110414.db2.gz HNPWKJTZNWVNCN-UHFFFAOYSA-N -1 3 491.573 3.065 50 0 JGAAHM COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)[N-]CC(F)(F)F)c1 ZINC000024083300 556120564 /nfs/dbraw/zinc/12/05/64/556120564.db2.gz YUIDTUJYJHYPSO-ZDUSSCGKSA-N -1 3 474.457 3.028 50 0 JGAAHM Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)N2CCN(CCOc3ccccc3)CC2)c1[O-] ZINC000024763316 556152549 /nfs/dbraw/zinc/15/25/49/556152549.db2.gz KCRGGWLJUNSPCL-UHFFFAOYSA-N -1 3 499.567 3.334 50 0 JGAAHM COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCO)cc(Br)c1[O-] ZINC000016752678 556157529 /nfs/dbraw/zinc/15/75/29/556157529.db2.gz AACUQLIRSIPMFP-KRWDZBQOSA-N -1 3 460.280 3.197 50 0 JGAAHM CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CC[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000012980093 556173292 /nfs/dbraw/zinc/17/32/92/556173292.db2.gz IEHPKANZCKKJNH-UHFFFAOYSA-N -1 3 493.454 3.139 50 0 JGAAHM C[C@H](Sc1nc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C1CC1)C(=O)N(C)Cc1cccc(F)c1 ZINC000025149796 556189856 /nfs/dbraw/zinc/18/98/56/556189856.db2.gz RYPJNRHVBPEPBO-LBPRGKRZSA-N -1 3 469.542 3.383 50 0 JGAAHM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000025392133 556212508 /nfs/dbraw/zinc/21/25/08/556212508.db2.gz OVKDKMNPHJRCQF-BLIXFSHQSA-N -1 3 467.584 3.338 50 0 JGAAHM O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccco2)c1 ZINC000025777898 556233495 /nfs/dbraw/zinc/23/34/95/556233495.db2.gz QHSJZVXFOLCMGE-UHFFFAOYSA-N -1 3 496.029 3.176 50 0 JGAAHM CCC[C@@H]1[C@H]2C(=O)N(c3sc(C(=O)OCC)c(C)c3C(=O)OC)C([O-])=C2ON1c1ccccc1 ZINC000017885581 556269697 /nfs/dbraw/zinc/26/96/97/556269697.db2.gz BZRJBFDWPMQDDN-NXHRZFHOSA-N -1 3 486.546 3.498 50 0 JGAAHM COc1cccc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000027527810 556289688 /nfs/dbraw/zinc/28/96/88/556289688.db2.gz CZUDTVBATMDCHS-UHFFFAOYSA-N -1 3 461.474 3.482 50 0 JGAAHM CCOc1ncccc1C[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000028041905 556312868 /nfs/dbraw/zinc/31/28/68/556312868.db2.gz RHJOSQVCVLITML-UHFFFAOYSA-N -1 3 450.152 3.484 50 0 JGAAHM COC(=O)c1cc(S(=O)(=O)[N-]CC2CN(Cc3ccccc3)CN(Cc3ccccc3)C2)oc1C ZINC000019329900 556342206 /nfs/dbraw/zinc/34/22/06/556342206.db2.gz FIBNZODKJDLLEO-UHFFFAOYSA-N -1 3 497.617 3.245 50 0 JGAAHM Cc1nc(CN2CCN(C(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4F)cc3)CC2)cs1 ZINC000028959955 556344867 /nfs/dbraw/zinc/34/48/67/556344867.db2.gz AEMOBULMHNJDPN-UHFFFAOYSA-N -1 3 474.583 3.349 50 0 JGAAHM CCOC(=O)c1c([N-]C(=O)COC(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)oc(C)c1C(C)=O ZINC000013134581 556364013 /nfs/dbraw/zinc/36/40/13/556364013.db2.gz YHUXIWTVYWVGIK-NRFANRHFSA-N -1 3 486.521 3.212 50 0 JGAAHM CCN(CC)C(=O)N1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)CC1 ZINC000031503243 556398587 /nfs/dbraw/zinc/39/85/87/556398587.db2.gz RTCZAYINPWVBSP-UHFFFAOYSA-N -1 3 472.611 3.324 50 0 JGAAHM COc1ccc(CN2C(=O)[C@@]3(SC([N-]C(C)=O)=NN3C(C)=O)c3cc(C)cc(C)c32)cc1OC ZINC000032594502 556448909 /nfs/dbraw/zinc/44/89/09/556448909.db2.gz VNXOTDLVJGJNGS-DEOSSOPVSA-N -1 3 482.562 3.023 50 0 JGAAHM COc1ccc(OCc2nnc(S[C@H](C)C(=O)c3ccc([N-]S(C)(=O)=O)cc3)n2C)cc1 ZINC000032672042 556468593 /nfs/dbraw/zinc/46/85/93/556468593.db2.gz NRHVSYYGNAFNPS-CQSZACIVSA-N -1 3 476.580 3.138 50 0 JGAAHM C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000032719028 556473858 /nfs/dbraw/zinc/47/38/58/556473858.db2.gz OTECCJSZPCBPLQ-JZBBYPHDSA-N -1 3 492.605 3.384 50 0 JGAAHM O=C(CSc1nc2c(c(=O)[n-]1)CN(Cc1ccccc1)CC2)Nc1cccc(C(=O)NC2CC2)c1 ZINC000032810103 556500437 /nfs/dbraw/zinc/50/04/37/556500437.db2.gz MDEQCIQSHPERAD-UHFFFAOYSA-N -1 3 489.601 3.364 50 0 JGAAHM O=C(COC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl)NCCc1ccc(F)cc1 ZINC000032875622 556519088 /nfs/dbraw/zinc/51/90/88/556519088.db2.gz PWHHFUZJXYWQFE-UHFFFAOYSA-N -1 3 489.352 3.089 50 0 JGAAHM C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)O[C@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000032879888 556520962 /nfs/dbraw/zinc/52/09/62/556520962.db2.gz MGTOBGHDRDDUIU-HUUCEWRRSA-N -1 3 483.587 3.247 50 0 JGAAHM C[C@@H]1CN(CCCNC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)C[C@H](C)O1 ZINC000032899240 556526682 /nfs/dbraw/zinc/52/66/82/556526682.db2.gz JAWMOTQPLXQHOK-CALCHBBNSA-N -1 3 466.003 3.370 50 0 JGAAHM CC1CCN(S(=O)(=O)c2ccc3ncc(C(=O)NCc4ccc(F)cc4)c([O-])c3c2)CC1 ZINC000008583640 562940333 /nfs/dbraw/zinc/94/03/33/562940333.db2.gz WMKCNDRXXJJFSW-UHFFFAOYSA-N -1 3 457.527 3.018 50 0 JGAAHM COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C(=O)N2[N-]C(=O)c2ccncc2)cc1 ZINC000008682377 562951437 /nfs/dbraw/zinc/95/14/37/562951437.db2.gz AESGEUBSEOSYHU-FQEVSTJZSA-N -1 3 493.907 3.255 50 0 JGAAHM Cn1c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2nc1CCN1CCN(c2ccccn2)CC1 ZINC000038748392 563135280 /nfs/dbraw/zinc/13/52/80/563135280.db2.gz BZURDHCUFVUEBL-UHFFFAOYSA-N -1 3 494.596 3.273 50 0 JGAAHM CCN(CC)S(=O)(=O)c1ccc2ncc(C(=O)N[C@@H](C)CCc3ccccc3)c([O-])c2c1 ZINC000006181401 569588503 /nfs/dbraw/zinc/58/85/03/569588503.db2.gz JRWLSJNDAGAWLW-KRWDZBQOSA-N -1 3 455.580 3.310 50 0 JGAAHM COc1ccccc1NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000008596492 569592197 /nfs/dbraw/zinc/59/21/97/569592197.db2.gz JSMXRGLBMKKXST-SFHVURJKSA-N -1 3 468.560 3.228 50 0 JGAAHM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)N(Cc1noc(C3CC3)n1)C(=O)CO2 ZINC000064450725 569617216 /nfs/dbraw/zinc/61/72/16/569617216.db2.gz ZZIDIWHNQSSSCY-UHFFFAOYSA-N -1 3 454.508 3.236 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1cc(C)ccc1N(CCCOc1cccc(C)c1)C2=O ZINC000033014255 569617920 /nfs/dbraw/zinc/61/79/20/569617920.db2.gz NPNAOUFLYNZZKC-XMMPIXPASA-N -1 3 466.563 3.274 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1cc(C)ccc1N(CCCOc1cccc(C)c1)C2=O ZINC000033014253 569617955 /nfs/dbraw/zinc/61/79/55/569617955.db2.gz NPNAOUFLYNZZKC-DEOSSOPVSA-N -1 3 466.563 3.274 50 0 JGAAHM CCCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(Br)cc3F)ccc21 ZINC000064818862 569635320 /nfs/dbraw/zinc/63/53/20/569635320.db2.gz DWMAZLYXDQZLER-UHFFFAOYSA-N -1 3 487.303 3.250 50 0 JGAAHM COc1ccc(CN2CCN(c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cn3)CC2)cc1 ZINC000034667916 569640639 /nfs/dbraw/zinc/64/06/39/569640639.db2.gz KHDXIEMUAKBYMF-UHFFFAOYSA-N -1 3 456.543 3.352 50 0 JGAAHM CCCN(CCC)C(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cnc1N1CCNCC1 ZINC000065025212 569650533 /nfs/dbraw/zinc/65/05/33/569650533.db2.gz HNCYCUHCZAJUTA-UHFFFAOYSA-N -1 3 499.681 3.433 50 0 JGAAHM COc1cccc([C@H]2[C@H](S(=O)(=O)[N-]Cc3cccc(C(F)(F)F)c3)CON2C)c1OC ZINC000034739223 569654772 /nfs/dbraw/zinc/65/47/72/569654772.db2.gz XIBVHUPVYFMUHK-MSOLQXFVSA-N -1 3 460.474 3.129 50 0 JGAAHM Cc1sc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000065097602 569661304 /nfs/dbraw/zinc/66/13/04/569661304.db2.gz PSEJHVAKVHROSL-UHFFFAOYSA-N -1 3 454.480 3.422 50 0 JGAAHM O=C(c1nnc(-c2csc(S(=O)(=O)[N-]CCCc3ccccc3)c2)o1)N1CCCCC1 ZINC000065098938 569661952 /nfs/dbraw/zinc/66/19/52/569661952.db2.gz WGDDIAVNZNWBFT-UHFFFAOYSA-N -1 3 460.581 3.335 50 0 JGAAHM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccccc3Cl)cn2C)sc1C(=O)N1CCOCC1 ZINC000065137599 569668535 /nfs/dbraw/zinc/66/85/35/569668535.db2.gz TUSWNVFHCLLRIT-UHFFFAOYSA-N -1 3 480.999 3.384 50 0 JGAAHM COc1ccccc1CN1CCc2nc(SCC(=O)NCc3ccc(F)cc3F)[n-]c(=O)c2C1 ZINC000067291449 569685620 /nfs/dbraw/zinc/68/56/20/569685620.db2.gz WUNCOWJMILJJBP-UHFFFAOYSA-N -1 3 486.544 3.436 50 0 JGAAHM NC(=O)C1(N2CCCCC2)CCN(c2ccc(NC(=O)c3ccccc3F)c(C(=O)[O-])c2)CC1 ZINC000035422628 569692732 /nfs/dbraw/zinc/69/27/32/569692732.db2.gz YOGKXXPXGPEEHB-UHFFFAOYSA-N -1 3 468.529 3.086 50 0 JGAAHM COC(=O)c1sccc1NC(=O)C[C@@H](CN1CCN(c2cccc(Cl)c2)CC1)C(=O)[O-] ZINC000071283959 569696177 /nfs/dbraw/zinc/69/61/77/569696177.db2.gz ALBNIRQGEKKVKC-AWEZNQCLSA-N -1 3 465.959 3.040 50 0 JGAAHM O=c1nc(CN2CCN(S(=O)(=O)c3cccs3)CC2)[n-]c2scc(-c3ccccc3)c21 ZINC000084564657 569709446 /nfs/dbraw/zinc/70/94/46/569709446.db2.gz DUMMIPQIEICBCI-UHFFFAOYSA-N -1 3 472.617 3.220 50 0 JGAAHM C[C@@H](CN1CCN(C[C@H](c2ccc(F)cc2)N2CCOCC2)CC1)C(=O)c1ccc([O-])cc1 ZINC000095903342 569729468 /nfs/dbraw/zinc/72/94/68/569729468.db2.gz RAZZYFNQQDIKGG-NBGIEHNGSA-N -1 3 455.574 3.041 50 0 JGAAHM CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2cc3cccc4c3n(c2=O)CC4)CCO1 ZINC000096117775 569735792 /nfs/dbraw/zinc/73/57/92/569735792.db2.gz XFGDPVBAOWKYEH-MGPUTAFESA-N -1 3 466.563 3.365 50 0 JGAAHM CCOC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000100912086 569775384 /nfs/dbraw/zinc/77/53/84/569775384.db2.gz VAZLIURVCJOGGQ-DOTOQJQBSA-N -1 3 476.714 3.400 50 0 JGAAHM CCOC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000100912082 569775398 /nfs/dbraw/zinc/77/53/98/569775398.db2.gz VAZLIURVCJOGGQ-WBVHZDCISA-N -1 3 476.714 3.400 50 0 JGAAHM CCOC(=O)c1[n-]n(-c2ccccc2Cl)c2c([O-])n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000100937424 569776710 /nfs/dbraw/zinc/77/67/10/569776710.db2.gz CNNIWPBRDQVNGH-NVXWUHKLSA-N -1 3 476.714 3.400 50 0 JGAAHM CCOC(=O)c1[n-]n(-c2ccccc2Cl)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000100937424 569776712 /nfs/dbraw/zinc/77/67/12/569776712.db2.gz CNNIWPBRDQVNGH-NVXWUHKLSA-N -1 3 476.714 3.400 50 0 JGAAHM CCCn1c(=O)[n-]c(=O)c2cc(C(=O)Nc3ccc(N4CCCCC4)c4ccncc34)cnc21 ZINC000036718635 569780477 /nfs/dbraw/zinc/78/04/77/569780477.db2.gz DHBXIFLBAQFDOM-UHFFFAOYSA-N -1 3 458.522 3.286 50 0 JGAAHM COc1ccccc1N1CCN(Cc2coc([O-])c(CN3CCc4ccccc4C3)c2=O)CC1 ZINC000101373535 569794733 /nfs/dbraw/zinc/79/47/33/569794733.db2.gz AAKQXLKKNDNCEG-UHFFFAOYSA-N -1 3 461.562 3.235 50 0 JGAAHM COc1ccccc1N1CCN(Cc2coc(=O)c(CN3CCc4ccccc4C3)c2[O-])CC1 ZINC000101373535 569794734 /nfs/dbraw/zinc/79/47/34/569794734.db2.gz AAKQXLKKNDNCEG-UHFFFAOYSA-N -1 3 461.562 3.235 50 0 JGAAHM CCC[C@@H]1[C@H]2C(=O)N(c3sc(C(=O)OCC)c(C)c3C(=O)OC)C([O-])=C2ON1c1ccccc1 ZINC000102734064 569818517 /nfs/dbraw/zinc/81/85/17/569818517.db2.gz 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COc1ccccc1NC(=O)C1CC(=O)Nc2nc(SCc3cccc(C)c3)[n-]c(=O)c21 ZINC000046074877 569843700 /nfs/dbraw/zinc/84/37/00/569843700.db2.gz BBTKTEDWVNLEIB-OAHLLOKOSA-N -1 3 450.520 3.444 50 0 JGAAHM COc1ccc(NC(=O)C2CC(=O)Nc3nc(SCc4cccc(C)c4)[n-]c(=O)c32)c(OC)c1 ZINC000046074894 569843794 /nfs/dbraw/zinc/84/37/94/569843794.db2.gz ZEJXLEPOISIMHR-INIZCTEOSA-N -1 3 480.546 3.452 50 0 JGAAHM CCOc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)Nc2ccccc2OC)cc1 ZINC000051316445 569850417 /nfs/dbraw/zinc/85/04/17/569850417.db2.gz FCQUDSRFVRNJFL-UHFFFAOYSA-N -1 3 451.508 3.247 50 0 JGAAHM CCOc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)Nc2ccccc2OC)cc1 ZINC000051316445 569850418 /nfs/dbraw/zinc/85/04/18/569850418.db2.gz FCQUDSRFVRNJFL-UHFFFAOYSA-N -1 3 451.508 3.247 50 0 JGAAHM CCOc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000051316463 569850790 /nfs/dbraw/zinc/85/07/90/569850790.db2.gz ITFGXUNLLVFRFP-UHFFFAOYSA-N -1 3 464.551 3.304 50 0 JGAAHM CCOc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000051316463 569850791 /nfs/dbraw/zinc/85/07/91/569850791.db2.gz ITFGXUNLLVFRFP-UHFFFAOYSA-N -1 3 464.551 3.304 50 0 JGAAHM COC(=O)c1ccc(NC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccc(OC)c(Cl)c2)cc1 ZINC000051316591 569850993 /nfs/dbraw/zinc/85/09/93/569850993.db2.gz NAXOIGWOPVZSCZ-UHFFFAOYSA-N -1 3 499.936 3.288 50 0 JGAAHM COC(=O)c1ccc(NC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccc(OC)c(Cl)c2)cc1 ZINC000051316591 569850995 /nfs/dbraw/zinc/85/09/95/569850995.db2.gz NAXOIGWOPVZSCZ-UHFFFAOYSA-N -1 3 499.936 3.288 50 0 JGAAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2ccccc2)c(C(=O)[O-])c1OC ZINC000137793626 569865314 /nfs/dbraw/zinc/86/53/14/569865314.db2.gz JUMCWXATNOIGLB-QZNHQXDQSA-N -1 3 474.469 3.453 50 0 JGAAHM CSc1ccc(S(=O)(=O)[N-]c2cc(C)c(OCC(=O)N3CCOCC3)c(C)c2)cc1 ZINC000226794965 570038577 /nfs/dbraw/zinc/03/85/77/570038577.db2.gz BMKXWXJYKDIGBO-UHFFFAOYSA-N -1 3 450.582 3.064 50 0 JGAAHM O=C([O-])COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)C2ON1c1ccccc1 ZINC000245240102 570058032 /nfs/dbraw/zinc/05/80/32/570058032.db2.gz LJPHILJUFXPTNI-ZRBLBEILSA-N -1 3 462.433 3.340 50 0 JGAAHM CC(=O)[N-][C@]12O[C@@H](C(Cl)(Cl)Cl)C[C@]1(OC(C)=O)C[C@@H](C(Cl)(Cl)Cl)O2 ZINC000257356196 570153504 /nfs/dbraw/zinc/15/35/04/570153504.db2.gz GSATYCWIVLEIEJ-LOQKFMFTSA-N -1 3 463.956 3.396 50 0 JGAAHM O=C(COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1)N1CCOCC1 ZINC000001140605 194044476 /nfs/dbraw/zinc/04/44/76/194044476.db2.gz PVGYNXSESJIZAK-UHFFFAOYSA-N -1 3 464.543 3.296 50 0 JGAAHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3[O-])c(=O)n2[C@H]1c1ccccc1OC ZINC000001217172 194073222 /nfs/dbraw/zinc/07/32/22/194073222.db2.gz ZKBVAYCISRYKNE-JCAJYURWSA-N -1 3 484.961 3.166 50 0 JGAAHM COc1ccc(CNC(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)cc1OC ZINC000001430713 194119920 /nfs/dbraw/zinc/11/99/20/194119920.db2.gz QOITVZQAGJCMRE-UHFFFAOYSA-N -1 3 459.351 3.381 50 0 JGAAHM O=C(NCCCN1CCOCC1)c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1 ZINC000003211220 194239497 /nfs/dbraw/zinc/23/94/97/194239497.db2.gz FZAVBSCQIYPBMF-UHFFFAOYSA-N -1 3 472.394 3.246 50 0 JGAAHM O=C(c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1)N1CCN(c2ccccn2)CC1 ZINC000003323823 194282095 /nfs/dbraw/zinc/28/20/95/194282095.db2.gz LGWUKNIWWMOUDC-UHFFFAOYSA-N -1 3 470.982 3.176 50 0 JGAAHM O=C(NCCCN1CCCC1=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000003376986 194308115 /nfs/dbraw/zinc/30/81/15/194308115.db2.gz HDRDPTPBLRFMSY-UHFFFAOYSA-N -1 3 453.923 3.022 50 0 JGAAHM C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1[O-] ZINC000003378928 194308759 /nfs/dbraw/zinc/30/87/59/194308759.db2.gz QKFWXYDNNBSLRJ-QGZVFWFLSA-N -1 3 480.542 3.005 50 0 JGAAHM CCOC(=O)c1c2c(sc1NC(=O)COC(=O)c1ccc(-c3nnn[n-]3)cc1)C[C@@H](C)CC2 ZINC000003428915 194321433 /nfs/dbraw/zinc/32/14/33/194321433.db2.gz ITXWFQMZXTXJNY-LBPRGKRZSA-N -1 3 469.523 3.025 50 0 JGAAHM CCOC(=O)c1c2c(sc1NC(=O)COC(=O)c1ccc(-c3nn[n-]n3)cc1)C[C@@H](C)CC2 ZINC000003428915 194321435 /nfs/dbraw/zinc/32/14/35/194321435.db2.gz ITXWFQMZXTXJNY-LBPRGKRZSA-N -1 3 469.523 3.025 50 0 JGAAHM Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]Cc3ccco3)c2)cc1 ZINC000003445388 194326781 /nfs/dbraw/zinc/32/67/81/194326781.db2.gz NSKMYLYERKQUAI-UHFFFAOYSA-N -1 3 475.954 3.431 50 0 JGAAHM O=C([C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000004762932 194396537 /nfs/dbraw/zinc/39/65/37/194396537.db2.gz ARHNBAWQKXETGN-HXUWFJFHSA-N -1 3 473.595 3.126 50 0 JGAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000004787535 194399127 /nfs/dbraw/zinc/39/91/27/194399127.db2.gz XHJRTWLEKZVCPL-SFHVURJKSA-N -1 3 475.558 3.419 50 0 JGAAHM O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000009048897 194510730 /nfs/dbraw/zinc/51/07/30/194510730.db2.gz VYONFFOXYSQGIZ-UHFFFAOYSA-N -1 3 488.541 3.210 50 0 JGAAHM CCOC(=O)c1c([N-]C(=O)COC(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)oc(C)c1C(C)=O ZINC000009634732 194836711 /nfs/dbraw/zinc/83/67/11/194836711.db2.gz KTWIHLCDHMBQHR-UHFFFAOYSA-N -1 3 497.504 3.249 50 0 JGAAHM COc1ccc(F)cc1S(=O)(=O)[N-]C[C@H](c1cccs1)S(=O)(=O)c1cccs1 ZINC000009742760 194936517 /nfs/dbraw/zinc/93/65/17/194936517.db2.gz BNCPXGJFSDILNU-MRXNPFEDSA-N -1 3 461.583 3.451 50 0 JGAAHM Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000009912301 195021908 /nfs/dbraw/zinc/02/19/08/195021908.db2.gz KKLOSNNGQHHJBA-UHFFFAOYSA-N -1 3 468.514 3.252 50 0 JGAAHM Cc1nn(C)c(C)c1NC(=O)[C@H](C)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000009949527 195032590 /nfs/dbraw/zinc/03/25/90/195032590.db2.gz YFKYNMSFQJDFFQ-HNNXBMFYSA-N -1 3 485.566 3.048 50 0 JGAAHM Cc1nn([C@H]2CCS(=O)(=O)C2)c2[n-]c(CSc3ncnc4sc5c(c43)CCC5)cc(=O)c12 ZINC000012689622 195087684 /nfs/dbraw/zinc/08/76/84/195087684.db2.gz KLIJYBWHGBCGND-ZDUSSCGKSA-N -1 3 487.632 3.178 50 0 JGAAHM Cc1ccc(S(=O)(=O)N2CCC([N-]S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1 ZINC000012748719 195104145 /nfs/dbraw/zinc/10/41/45/195104145.db2.gz PYLAMMXRPKOYFS-UHFFFAOYSA-N -1 3 463.408 3.433 50 0 JGAAHM Cc1csc2nc(CNc3ccc([N-]S(=O)(=O)c4ccc5c(c4)OCCO5)cc3)cc(=O)n12 ZINC000012790111 195131124 /nfs/dbraw/zinc/13/11/24/195131124.db2.gz KKQNVOACMWXRDV-UHFFFAOYSA-N -1 3 484.559 3.249 50 0 JGAAHM CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2nc(C3CC3)nc3c2c(=O)[n-]c(=O)n3C2CC2)cc1 ZINC000012896397 195175443 /nfs/dbraw/zinc/17/54/43/195175443.db2.gz FBBFHRXGQUYTTA-NSHDSACASA-N -1 3 465.535 3.426 50 0 JGAAHM CCCNC(=O)c1cnc2ccc(S(=O)(=O)N(C)c3ccc(Br)cc3)cc2c1[O-] ZINC000020765320 195220795 /nfs/dbraw/zinc/22/07/95/195220795.db2.gz GNTIELDRVIWNIF-UHFFFAOYSA-N -1 3 478.368 3.256 50 0 JGAAHM COc1nn(C)cc1C(=O)[N-]c1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)s1 ZINC000021011195 195266588 /nfs/dbraw/zinc/26/65/88/195266588.db2.gz BRPKQYSNVPEEBL-UHFFFAOYSA-N -1 3 472.474 3.282 50 0 JGAAHM Cn1c2c(c(-c3ccccc3)n3c2[C@H](c2cc(Br)ccc2[O-])OCC3)c(=O)n(C)c1=O ZINC000021175986 195289843 /nfs/dbraw/zinc/28/98/43/195289843.db2.gz PYNHQMLWJBPINC-NRFANRHFSA-N -1 3 482.334 3.293 50 0 JGAAHM Cc1cc(NC(=O)C2CCN(C(=O)C[C@]([O-])(c3nc4ccccc4o3)C(F)(F)F)CC2)no1 ZINC000058312203 195376981 /nfs/dbraw/zinc/37/69/81/195376981.db2.gz BLFLPCZGZRMCRL-FQEVSTJZSA-N -1 3 466.416 3.142 50 0 JGAAHM C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000021724309 195320260 /nfs/dbraw/zinc/32/02/60/195320260.db2.gz UEWZLOUPZXQLEO-MEDUHNTESA-N -1 3 463.383 3.286 50 0 JGAAHM COc1cc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)cc2c1OCCO2 ZINC000096223812 129999675 /nfs/dbraw/zinc/99/96/75/129999675.db2.gz UDGZDXHNEJXCPR-BFUOFWGJSA-N -1 3 461.540 3.273 50 0 JGAAHM C[C@@H](OC(=O)C[N-]S(=O)(=O)/C=C\c1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000096499507 130109549 /nfs/dbraw/zinc/10/95/49/130109549.db2.gz BVARQKCFVLRMFO-XMXAVACDSA-N -1 3 456.442 3.166 50 0 JGAAHM CCOC(=O)[C@@H]1CCCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccc(OC)c(OC)c2)C1 ZINC000102896688 130378718 /nfs/dbraw/zinc/37/87/18/130378718.db2.gz SSNCNQFMGATLDT-DNVCBOLYSA-N -1 3 474.583 3.441 50 0 JGAAHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)OCN2C(=O)c3ccccc3C2=O)c(Cl)cc1Cl ZINC000008880435 519749306 /nfs/dbraw/zinc/74/93/06/519749306.db2.gz KBENSSROAUIKOZ-UHFFFAOYSA-N -1 3 485.345 3.338 50 0 JGAAHM CC(C)c1nnc([N-]C(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)s1 ZINC000016965901 519890369 /nfs/dbraw/zinc/89/03/69/519890369.db2.gz YRHBVEGYCCXWTQ-VXGBXAGGSA-N -1 3 458.993 3.365 50 0 JGAAHM CCCCN(C)C(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000033033091 520394788 /nfs/dbraw/zinc/39/47/88/520394788.db2.gz AYWMTKWZGIOTPZ-UHFFFAOYSA-N -1 3 465.019 3.423 50 0 JGAAHM CCCCN(CC)C(=O)c1cc([N-]S(=O)(=O)c2ccccc2F)ccc1N1CCNCC1 ZINC000033121207 520471355 /nfs/dbraw/zinc/47/13/55/520471355.db2.gz UVKATUXCGTVRQW-UHFFFAOYSA-N -1 3 462.591 3.298 50 0 JGAAHM CCCS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2sc3c(c2C(=O)NCC)CCCC3)n1 ZINC000016753804 520547514 /nfs/dbraw/zinc/54/75/14/520547514.db2.gz FUSHWNYOAIFJMN-UHFFFAOYSA-N -1 3 471.004 3.256 50 0 JGAAHM CCOc1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1OC ZINC000006148084 521246745 /nfs/dbraw/zinc/24/67/45/521246745.db2.gz JQZJLTKTIBWBKR-UWVAXJGDSA-N -1 3 454.470 3.363 50 0 JGAAHM CCOC(=O)c1sc2[n-]c(CN(C[C@@H](O)COc3ccccc3)C(C)C)nc(=O)c2c1C ZINC000036207221 521618762 /nfs/dbraw/zinc/61/87/62/521618762.db2.gz HQYLXXOVBOYMPZ-MRXNPFEDSA-N -1 3 459.568 3.120 50 0 JGAAHM CCN1CCN(C(=O)c2ccc(OCc3nnc(C(=O)[N-]c4ccc(F)c(F)c4)s3)cc2)CC1 ZINC000033114358 521669820 /nfs/dbraw/zinc/66/98/20/521669820.db2.gz XBJPVUXKGWXEND-UHFFFAOYSA-N -1 3 487.532 3.425 50 0 JGAAHM COc1cc(CN2C(=O)N(C(C)C)[C@@H](N([O-])C(=O)NC(C)C)C2(C)C)cc(OC)c1OC ZINC000008740312 522364835 /nfs/dbraw/zinc/36/48/35/522364835.db2.gz IIPBBDRKHLNOTE-IBGZPJMESA-N -1 3 452.552 3.272 50 0 biogenic JGAAHM CCc1nc(Cn2c3ccc(S(=O)(=O)[N-]c4ccc(C)cc4Br)cc3oc2=O)no1 ZINC000064946890 522375700 /nfs/dbraw/zinc/37/57/00/522375700.db2.gz KJEQHCGXICUSQP-UHFFFAOYSA-N -1 3 493.339 3.460 50 0 JGAAHM 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Cc1cc(C)c(S(=O)(=O)NCc2nnc(C(=O)[N-]c3ccc(F)cc3F)s2)c(C)c1 ZINC000064991801 524322849 /nfs/dbraw/zinc/32/28/49/524322849.db2.gz SRBIRSJMLYSHPJ-UHFFFAOYSA-N -1 3 452.508 3.472 50 0 JGAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NCc3cccnc3)ccc2N2CCNCC2)cc1C ZINC000033033839 524323816 /nfs/dbraw/zinc/32/38/16/524323816.db2.gz RMSOGANOTABBSG-UHFFFAOYSA-N -1 3 493.633 3.147 50 0 JGAAHM COc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC(Cc5ccccc5)CC4)[n-]c(=O)c32)cc1 ZINC000012409714 524611311 /nfs/dbraw/zinc/61/13/11/524611311.db2.gz ULUZRVRYDNTDMI-NRFANRHFSA-N -1 3 487.560 3.302 50 0 JGAAHM Cc1cc(CN(C)C(=O)c2cc([N-]S(C)(=O)=O)cc3nc(C)n(Cc4ccccc4)c32)on1 ZINC000012246657 524656785 /nfs/dbraw/zinc/65/67/85/524656785.db2.gz KOSLATNEFXXCOA-UHFFFAOYSA-N -1 3 467.551 3.333 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCC3(N4CCOCC4)CCCCC3)cc2)cc1 ZINC000022444574 524689258 /nfs/dbraw/zinc/68/92/58/524689258.db2.gz OMOYLQPKXBGMNV-UHFFFAOYSA-N -1 3 487.622 3.261 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)cc2)cc1 ZINC000016217162 524691905 /nfs/dbraw/zinc/69/19/05/524691905.db2.gz OPNSHRKUKWYWEY-UHFFFAOYSA-N -1 3 475.548 3.120 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4ccccc4)CC3)cc2)cc1 ZINC000016393876 524693963 /nfs/dbraw/zinc/69/39/63/524693963.db2.gz RCEDWAJZKPPCIQ-UHFFFAOYSA-N -1 3 481.574 3.224 50 0 JGAAHM COc1ccc(OCCNC(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)cc1 ZINC000012370942 524960169 /nfs/dbraw/zinc/96/01/69/524960169.db2.gz FHNMHZGQNLSDGK-UHFFFAOYSA-N -1 3 459.351 3.252 50 0 JGAAHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(C)Cc3ccccc3)ccc2N2CCNCC2)cc1 ZINC000033033910 525078085 /nfs/dbraw/zinc/07/80/85/525078085.db2.gz ASDFLBQCKSRREZ-UHFFFAOYSA-N -1 3 494.617 3.178 50 0 JGAAHM COc1ccc(S(=O)(=O)c2cc3c(cc2[N-]C(=O)c2c(F)cccc2F)n(C)c(=O)n3C)cc1 ZINC000046146247 525095036 /nfs/dbraw/zinc/09/50/36/525095036.db2.gz AZTXQDFWEAYHMR-UHFFFAOYSA-N -1 3 487.484 3.249 50 0 JGAAHM 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ZKKWJLZBIFFTSU-LBPRGKRZSA-N -1 3 484.372 3.030 50 0 JGAAHM CCOc1ccc(N(C)S(=O)(=O)c2ccc3ncc(C(=O)NC4CCCC4)c([O-])c3c2)cc1 ZINC000009543261 555334946 /nfs/dbraw/zinc/33/49/46/555334946.db2.gz SZOKNHQWTPEAAZ-UHFFFAOYSA-N -1 3 469.563 3.424 50 0 JGAAHM COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2cccc(Oc3ccccc3)c2)c(=O)[n-]c1=O ZINC000009576128 555372702 /nfs/dbraw/zinc/37/27/02/555372702.db2.gz ZJSRTOGUNBHGMX-UHFFFAOYSA-N -1 3 486.528 3.405 50 0 JGAAHM CC(C)c1cc([N-]C(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)on1 ZINC000009593942 555409631 /nfs/dbraw/zinc/40/96/31/555409631.db2.gz LJQCVPHYIPLCJK-HXUWFJFHSA-N -1 3 461.474 3.187 50 0 JGAAHM COc1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccc3nsnc32)cc1OC ZINC000009692363 555419044 /nfs/dbraw/zinc/41/90/44/555419044.db2.gz MNMWTDXHOREJQW-SFHVURJKSA-N -1 3 498.586 3.237 50 0 JGAAHM COc1cccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC000009692380 555419292 /nfs/dbraw/zinc/41/92/92/555419292.db2.gz DYUIOQOXSRCTMP-IBGZPJMESA-N -1 3 468.560 3.228 50 0 JGAAHM COC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccc3nsnc32)cc1 ZINC000009692567 555420416 /nfs/dbraw/zinc/42/04/16/555420416.db2.gz FPLXMHYROHMNFF-LJQANCHMSA-N -1 3 496.570 3.006 50 0 JGAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)CSc2nnc(-c3ccc(Br)cc3)n2C)N1 ZINC000013960030 555663262 /nfs/dbraw/zinc/66/32/62/555663262.db2.gz YUBLSOUHPGFIBK-OAHLLOKOSA-N -1 3 478.294 3.196 50 0 JGAAHM CNC(=O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]Cc3ccccc3)c2)c1 ZINC000014071403 555679152 /nfs/dbraw/zinc/67/91/52/555679152.db2.gz XAKRWUFOSLKKCL-UHFFFAOYSA-N -1 3 457.939 3.430 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1ccccc1N(CCCOc1ccccc1Cl)C2=O ZINC000010335481 555690415 /nfs/dbraw/zinc/69/04/15/555690415.db2.gz IGUYQJNHOZQOPT-JOCHJYFZSA-N -1 3 472.954 3.311 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1cccc(C)c1N(Cc1ccc(OC(C)C)cc1)C2=O ZINC000010335518 555690477 /nfs/dbraw/zinc/69/04/77/555690477.db2.gz YVSODEMKTIVNFP-DEOSSOPVSA-N -1 3 466.563 3.484 50 0 JGAAHM CCOc1ccccc1CN1C(=O)[C@]2(SC([N-]C(C)=O)=NN2C(C)=O)c2cc(C)cc(C)c21 ZINC000010335617 555690619 /nfs/dbraw/zinc/69/06/19/555690619.db2.gz JGJSVYBZTLJGGQ-XMMPIXPASA-N -1 3 466.563 3.404 50 0 JGAAHM CCOc1ccccc1CN1C(=O)[C@@]2(SC([N-]C(C)=O)=NN2C(C)=O)c2cc(C)cc(C)c21 ZINC000010335624 555690705 /nfs/dbraw/zinc/69/07/05/555690705.db2.gz JGJSVYBZTLJGGQ-DEOSSOPVSA-N -1 3 466.563 3.404 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1cc(Cl)ccc1N(CCOc1ccc(C)cc1)C2=O ZINC000010335725 555690734 /nfs/dbraw/zinc/69/07/34/555690734.db2.gz OLHXGETXLJKJGU-QFIPXVFZSA-N -1 3 472.954 3.229 50 0 JGAAHM CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)CC[C@@H]1NC(=O)[N-]C1=O ZINC000014118900 555693630 /nfs/dbraw/zinc/69/36/30/555693630.db2.gz AHFNSQXLBPHHIM-IBGZPJMESA-N -1 3 451.914 3.139 50 0 JGAAHM CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000014120348 555694304 /nfs/dbraw/zinc/69/43/04/555694304.db2.gz PRSDTGXUTUGXKH-IUODEOHRSA-N -1 3 457.618 3.446 50 0 JGAAHM O=C(NCCc1cn2ccccc2n1)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1 ZINC000010355993 555695571 /nfs/dbraw/zinc/69/55/71/555695571.db2.gz CGSAESPWLVXTCR-UHFFFAOYSA-N -1 3 468.966 3.439 50 0 JGAAHM O=C(c1ccc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1)N1CC(=O)Nc2ccccc21 ZINC000014168177 555720495 /nfs/dbraw/zinc/72/04/95/555720495.db2.gz TZGCDOPWQAXWFG-UHFFFAOYSA-N -1 3 475.448 3.181 50 0 JGAAHM CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000014183342 555724715 /nfs/dbraw/zinc/72/47/15/555724715.db2.gz WGABBPAWSDLDFS-UHFFFAOYSA-N -1 3 495.388 3.333 50 0 JGAAHM CC(=O)c1cccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC000020235531 555727958 /nfs/dbraw/zinc/72/79/58/555727958.db2.gz DODZCSLJDQHPJL-HXUWFJFHSA-N -1 3 480.571 3.422 50 0 JGAAHM C[C@@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)c1nc(=O)c2c3c(sc2[n-]1)C[C@H](C)CC3 ZINC000010914234 555747025 /nfs/dbraw/zinc/74/70/25/555747025.db2.gz LNNVNVOCFIJKBR-VXGBXAGGSA-N -1 3 450.520 3.193 50 0 JGAAHM CSCC[C@H](C(=O)OCc1cc(=O)oc2c(C)c([O-])ccc12)N1C(=O)c2ccccc2C1=O ZINC000011405453 555778076 /nfs/dbraw/zinc/77/80/76/555778076.db2.gz LLHITCJPZKXCFF-GOSISDBHSA-N -1 3 467.499 3.268 50 0 JGAAHM O=C(Cc1csc(-c2cccs2)n1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011451508 555781699 /nfs/dbraw/zinc/78/16/99/555781699.db2.gz ONPYETGSPWOKII-UHFFFAOYSA-N -1 3 453.636 3.445 50 0 JGAAHM O=c1[n-]c(=O)n(Cc2ccccn2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(c1ccccc1)N2 ZINC000020546630 555806304 /nfs/dbraw/zinc/80/63/04/555806304.db2.gz SRYWIATWGZGFCF-UHFFFAOYSA-N -1 3 469.345 3.172 50 0 JGAAHM Cc1ccc([N-]S(=O)(=O)c2c(C)cc(N3C(=O)CCS3(=O)=O)cc2C)cc1Br ZINC000011858141 555837441 /nfs/dbraw/zinc/83/74/41/555837441.db2.gz ZHUWSUCQHXAMHK-UHFFFAOYSA-N -1 3 487.397 3.242 50 0 JGAAHM Cc1ccc(N(Cc2nnc(SCC(=O)Nc3cc(Cl)ccc3[O-])n2C)S(C)(=O)=O)cc1 ZINC000015019678 555861851 /nfs/dbraw/zinc/86/18/51/555861851.db2.gz HWHGTZXFSLUARN-UHFFFAOYSA-N -1 3 496.014 3.180 50 0 JGAAHM CCCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3C)ccc21 ZINC000012180452 555934997 /nfs/dbraw/zinc/93/49/97/555934997.db2.gz BTTODKQCNVKEBV-UHFFFAOYSA-N -1 3 465.597 3.247 50 0 JGAAHM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CC(=O)Nc2nc(N3CCCCC3)[n-]c(=O)c21 ZINC000012322960 555952748 /nfs/dbraw/zinc/95/27/48/555952748.db2.gz PKMRFDFSIUTNPS-NSHDSACASA-N -1 3 469.851 3.497 50 0 JGAAHM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CC(=O)Nc2nc(N3CCCCC3)[n-]c(=O)c21 ZINC000012322959 555952775 /nfs/dbraw/zinc/95/27/75/555952775.db2.gz PKMRFDFSIUTNPS-LLVKDONJSA-N -1 3 469.851 3.497 50 0 JGAAHM O=S(=O)([N-]C[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1)c1cccs1 ZINC000022851693 555958544 /nfs/dbraw/zinc/95/85/44/555958544.db2.gz VFGIWUFDXKYCQJ-FQEVSTJZSA-N -1 3 489.594 3.458 50 0 JGAAHM O=S(=O)([N-]C[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1)c1cccs1 ZINC000022851708 555958628 /nfs/dbraw/zinc/95/86/28/555958628.db2.gz WFJUCKYMZKQEPC-FQEVSTJZSA-N -1 3 489.594 3.458 50 0 JGAAHM Cc1ccc(-c2csc3[n-]c(CN4CCCN(CC(=O)NC(C)(C)C)CC4)nc(=O)c23)s1 ZINC000022928446 555978950 /nfs/dbraw/zinc/97/89/50/555978950.db2.gz CSVLFUQOSRSOGT-UHFFFAOYSA-N -1 3 473.668 3.444 50 0 JGAAHM C[C@H](c1ccc(F)cc1)N(C)C(=O)CSc1nc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C1CC1 ZINC000023053475 556002647 /nfs/dbraw/zinc/00/26/47/556002647.db2.gz SFESWNWJTNCWOD-GFCCVEGCSA-N -1 3 469.542 3.143 50 0 JGAAHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)CSc1nc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C1CC1 ZINC000023053476 556002733 /nfs/dbraw/zinc/00/27/33/556002733.db2.gz SFESWNWJTNCWOD-LBPRGKRZSA-N -1 3 469.542 3.143 50 0 JGAAHM Cc1cc(C)n(-c2cc(NCC[N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)nc(C)n2)n1 ZINC000023144537 556022914 /nfs/dbraw/zinc/02/29/14/556022914.db2.gz OZAUVRMCLRJHLD-UHFFFAOYSA-N -1 3 455.371 3.285 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCC(C)(C)N3C[C@@H](C)O[C@@H](C)C3)c2)cc1 ZINC000012548715 556027669 /nfs/dbraw/zinc/02/76/69/556027669.db2.gz AOEJLPLWVULBOH-HDICACEKSA-N -1 3 475.611 3.114 50 0 JGAAHM Cc1nc(SCc2ccccc2)[n-]c(=O)c1CCC(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC000023185242 556029467 /nfs/dbraw/zinc/02/94/67/556029467.db2.gz RCPSJZCJOQXNMN-QZTJIDSGSA-N -1 3 472.655 3.307 50 0 JGAAHM COc1cc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)cc(OC)c1OC ZINC000015865782 556042242 /nfs/dbraw/zinc/04/22/42/556042242.db2.gz UNIBAMNYMWTYHV-QGZVFWFLSA-N -1 3 476.576 3.302 50 0 JGAAHM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCC(C)(C)N3C[C@@H](C)O[C@@H](C)C3)c2)cc1 ZINC000012557289 556044977 /nfs/dbraw/zinc/04/49/77/556044977.db2.gz JZARXIQKPOTFRL-KDURUIRLSA-N -1 3 459.612 3.413 50 0 JGAAHM NC(=O)C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3Cl)c2)CC1 ZINC000012569444 556072118 /nfs/dbraw/zinc/07/21/18/556072118.db2.gz SNVNDVUZXABYET-UHFFFAOYSA-N -1 3 456.351 3.132 50 0 JGAAHM Cc1ccc(S(=O)(=O)N2CCC([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 ZINC000012894003 556124964 /nfs/dbraw/zinc/12/49/64/556124964.db2.gz KNXVKCRZNQDCQT-UHFFFAOYSA-N -1 3 463.408 3.433 50 0 JGAAHM O=C(CC[N-]S(=O)(=O)c1ccccc1C(F)(F)F)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000012975182 556167242 /nfs/dbraw/zinc/16/72/42/556167242.db2.gz ZUMUJYIOVYGLEX-KRWDZBQOSA-N -1 3 473.517 3.310 50 0 JGAAHM C[C@@]1(CSc2ccccc2C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)NC(=O)[N-]C1=O ZINC000012991331 556184048 /nfs/dbraw/zinc/18/40/48/556184048.db2.gz QACYWSCURXGGMM-QFIPXVFZSA-N -1 3 475.954 3.122 50 0 JGAAHM C[C@@H](Sc1nc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C1CC1)C(=O)N(C)Cc1cccc(F)c1 ZINC000025149793 556189948 /nfs/dbraw/zinc/18/99/48/556189948.db2.gz RYPJNRHVBPEPBO-GFCCVEGCSA-N -1 3 469.542 3.383 50 0 JGAAHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)N[C@@H](C)CCc1ccccc1 ZINC000013011947 556203918 /nfs/dbraw/zinc/20/39/18/556203918.db2.gz YXIDRQFORRDQAE-LSDHHAIUSA-N -1 3 487.405 3.341 50 0 JGAAHM CN1CCN2c3cccc(Cl)c3C[C@@]3(C(=O)[N-]C(=O)N(CCc4ccccc4)C3=O)[C@@H]2C1 ZINC000017016592 556204592 /nfs/dbraw/zinc/20/45/92/556204592.db2.gz PTIWIEPBTQWOKZ-RDPSFJRHSA-N -1 3 452.942 3.164 50 0 JGAAHM Cc1ccc(C)c(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCC(=O)Nc2cc(C)cc(C)c2)c1 ZINC000017026643 556206434 /nfs/dbraw/zinc/20/64/34/556206434.db2.gz WSHULDXHVIROEH-UHFFFAOYSA-N -1 3 490.589 3.199 50 0 JGAAHM Cc1ccc(C)c(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCC(=O)c2ccc(Cl)cc2)c1 ZINC000017026675 556206886 /nfs/dbraw/zinc/20/68/86/556206886.db2.gz UTPLSZZPPXOPEC-UHFFFAOYSA-N -1 3 481.965 3.480 50 0 JGAAHM CN(C)[C@H](CNC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F)c1cccs1 ZINC000025385791 556210884 /nfs/dbraw/zinc/21/08/84/556210884.db2.gz GMDZWZUWFYRDOD-WOJBJXKFSA-N -1 3 475.611 3.196 50 0 JGAAHM CN(C)[C@H](CNC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F)c1cccs1 ZINC000025385801 556211198 /nfs/dbraw/zinc/21/11/98/556211198.db2.gz GMDZWZUWFYRDOD-VQTJNVASSA-N -1 3 475.611 3.196 50 0 JGAAHM Cc1cccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCC(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000017135573 556221912 /nfs/dbraw/zinc/22/19/12/556221912.db2.gz GLQWAGPMGKOAER-UHFFFAOYSA-N -1 3 496.980 3.236 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1cccc(C)c1N(Cc1ccccc1OC(C)C)C2=O ZINC000017135796 556223179 /nfs/dbraw/zinc/22/31/79/556223179.db2.gz GNIIYUYSVLZUGS-DEOSSOPVSA-N -1 3 466.563 3.484 50 0 JGAAHM CCOC(=O)c1ccccc1NC(=O)CSc1nc2c(cnn2-c2ccccc2OC)c(=O)[n-]1 ZINC000017306688 556254382 /nfs/dbraw/zinc/25/43/82/556254382.db2.gz DCVGFBCNJYNYFJ-UHFFFAOYSA-N -1 3 479.518 3.437 50 0 JGAAHM CCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(Br)cc3)ccc21 ZINC000017316540 556257973 /nfs/dbraw/zinc/25/79/73/556257973.db2.gz DRDNABODFOJPPZ-UHFFFAOYSA-N -1 3 459.387 3.352 50 0 JGAAHM COc1cc(S(=O)(=O)[N-]c2ccccc2F)cc(C(=O)Nn2cnc3ccccc32)c1OC ZINC000027040408 556273167 /nfs/dbraw/zinc/27/31/67/556273167.db2.gz FUFPCIJSPUDHFN-UHFFFAOYSA-N -1 3 470.482 3.377 50 0 JGAAHM CC(=O)c1ccc(NC(=O)CSc2nnc3[n-]c(=O)c(Cc4ccccc4Cl)nn32)cc1 ZINC000027299351 556276186 /nfs/dbraw/zinc/27/61/86/556276186.db2.gz RWTKULLGEFEDSK-UHFFFAOYSA-N -1 3 468.926 3.403 50 0 JGAAHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)Nc1cc(F)ccc1F ZINC000013096588 556291234 /nfs/dbraw/zinc/29/12/34/556291234.db2.gz JKQSCGVVZCBMPO-SECBINFHSA-N -1 3 467.277 3.120 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCNC(=O)Cc3ccccc3)ccc2C)cc1 ZINC000027769140 556306719 /nfs/dbraw/zinc/30/67/19/556306719.db2.gz YEGZVUXRUSEQSA-UHFFFAOYSA-N -1 3 481.574 3.492 50 0 JGAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@@H]3CN(CC(C)C)CCO3)cc2)c1 ZINC000018202015 556309206 /nfs/dbraw/zinc/30/92/06/556309206.db2.gz VZNSERRQGHTEHI-JOCHJYFZSA-N -1 3 459.612 3.191 50 0 JGAAHM CN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F ZINC000013113213 556317218 /nfs/dbraw/zinc/31/72/18/556317218.db2.gz ACKHNWZYYDBRDT-TZIWHRDSSA-N -1 3 484.549 3.014 50 0 JGAAHM CCOc1cc2c(cc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C3CC3)c1)O[C@@H](C)C2 ZINC000013117556 556327903 /nfs/dbraw/zinc/32/79/03/556327903.db2.gz VLEYCEJLURPORD-ZDUSSCGKSA-N -1 3 464.971 3.433 50 0 JGAAHM CC[C@@H](C)Cc1c(C)sc2nc(SCC(=O)N(C)CC(=O)NC(C)(C)C)[n-]c(=O)c21 ZINC000019368595 556346573 /nfs/dbraw/zinc/34/65/73/556346573.db2.gz YEONLKVNNMJFHS-GFCCVEGCSA-N -1 3 452.646 3.347 50 0 JGAAHM O=c1nc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)[n-]c2scc(-c3ccccc3)c21 ZINC000030569596 556367347 /nfs/dbraw/zinc/36/73/47/556367347.db2.gz FXADRTQCMXPCLM-UHFFFAOYSA-N -1 3 466.588 3.158 50 0 JGAAHM COc1c(C)cnc(CN2CCN([C@@H](C(=O)[O-])c3c[nH]c4ccc(NC(C)=O)cc43)CC2)c1C ZINC000031809528 556405869 /nfs/dbraw/zinc/40/58/69/556405869.db2.gz GTUUOTYPZZMCTL-HSZRJFAPSA-N -1 3 465.554 3.090 50 0 JGAAHM COc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(CCNc4cc(=O)oc5ccccc45)CC3)c2c1 ZINC000031811497 556406512 /nfs/dbraw/zinc/40/65/12/556406512.db2.gz FEHLINGNAOSKPQ-RUZDIDTESA-N -1 3 476.533 3.138 50 0 JGAAHM C[C@@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000032671948 556468329 /nfs/dbraw/zinc/46/83/29/556468329.db2.gz AHABXEGKAILGSW-QAPCUYQASA-N -1 3 487.603 3.311 50 0 JGAAHM COc1cc(S(=O)(=O)[N-]c2ccccc2F)cc(C(=O)N(C)Cc2cccnc2)c1OC ZINC000032731374 556477307 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COc1ccccc1N1CCN(Cc2coc([O-])c(CN3CCO[C@@H](c4ccccc4)C3)c2=O)CC1 ZINC000101371921 569794600 /nfs/dbraw/zinc/79/46/00/569794600.db2.gz YICWLQJLDBUOOS-AREMUKBSSA-N -1 3 491.588 3.250 50 0 JGAAHM COc1ccccc1N1CCN(Cc2coc(=O)c(CN3CCO[C@@H](c4ccccc4)C3)c2[O-])CC1 ZINC000101371921 569794601 /nfs/dbraw/zinc/79/46/01/569794601.db2.gz YICWLQJLDBUOOS-AREMUKBSSA-N -1 3 491.588 3.250 50 0 JGAAHM COc1ccc2[nH]c3c([n-]c(=S)n(CC(=O)NC4CCN(Cc5ccccc5)CC4)c3=O)c2c1 ZINC000101497656 569800883 /nfs/dbraw/zinc/80/08/83/569800883.db2.gz AUBVERGEHSQVCO-UHFFFAOYSA-N -1 3 477.590 3.330 50 0 JGAAHM COc1ccccc1N1CCN(Cc2cc(=O)n3nc(NCc4ccc(C(C)C)cc4)[n-]c3n2)CC1 ZINC000101796837 569805204 /nfs/dbraw/zinc/80/52/04/569805204.db2.gz JDQZPALFWZIYQP-UHFFFAOYSA-N -1 3 487.608 3.484 50 0 JGAAHM C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1)C(=O)N(C)c1ccccc1 ZINC000039974824 569812712 /nfs/dbraw/zinc/81/27/12/569812712.db2.gz JQHGEPMXBILXMW-CRAIPNDOSA-N -1 3 480.970 3.006 50 0 JGAAHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)c(C)c1 ZINC000040086960 569815826 /nfs/dbraw/zinc/81/58/26/569815826.db2.gz AKRXVHKRNPRQLB-UHFFFAOYSA-N -1 3 468.597 3.296 50 0 JGAAHM COc1ccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)cc1 ZINC000046074758 569843536 /nfs/dbraw/zinc/84/35/36/569843536.db2.gz TYTHALVUIATONL-KRWDZBQOSA-N -1 3 450.520 3.444 50 0 JGAAHM COc1ccc(NC(=O)C2CC(=O)Nc3nc(SCCc4ccccc4)[n-]c(=O)c32)cc1 ZINC000046074387 569843542 /nfs/dbraw/zinc/84/35/42/569843542.db2.gz QQVXQMUCFCIGHY-QGZVFWFLSA-N -1 3 450.520 3.178 50 0 JGAAHM COc1cccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccc(C)cc4)[n-]c(=O)c32)c1 ZINC000046074986 569843800 /nfs/dbraw/zinc/84/38/00/569843800.db2.gz IEHZSXVFPUDNDI-KRWDZBQOSA-N -1 3 450.520 3.444 50 0 JGAAHM COc1ccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccc(F)cc4)[n-]c(=O)c32)cc1 ZINC000046075451 569844171 /nfs/dbraw/zinc/84/41/71/569844171.db2.gz QHCOFXARFCQDJI-INIZCTEOSA-N -1 3 454.483 3.274 50 0 JGAAHM O=C(Nc1cc(F)ccc1F)C1CC(=O)Nc2nc(SCCc3ccccc3)[n-]c(=O)c21 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/nfs/dbraw/zinc/06/53/66/570065366.db2.gz PTIWIEPBTQWOKZ-HYBUGGRVSA-N -1 3 452.942 3.164 50 0 JGAAHM O=C1C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@@H]3C2=C([O-])N1c1ccccc1F ZINC000247706492 570068842 /nfs/dbraw/zinc/06/88/42/570068842.db2.gz FHZFSVQHORGVGB-NAVOZUGXSA-N -1 3 479.471 3.301 50 0 JGAAHM COC(=O)C[C@H](c1ccco1)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1[O-] ZINC000263585891 570171508 /nfs/dbraw/zinc/17/15/08/570171508.db2.gz NPCJPIXLWYEFLC-GOSISDBHSA-N -1 3 469.490 3.209 50 0 JGAAHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3[O-])c(=O)n2[C@H]1c1ccccc1 ZINC000002308871 194159498 /nfs/dbraw/zinc/15/94/98/194159498.db2.gz ROYMRAVJTHZLMO-SQWSFHKJSA-N -1 3 499.386 3.266 50 0 JGAAHM O=C(c1ccco1)N1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)CC1 ZINC000003260805 194255071 /nfs/dbraw/zinc/25/50/71/194255071.db2.gz DLLOTQFTMYADKC-UHFFFAOYSA-N -1 3 473.938 3.332 50 0 JGAAHM C[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)CSc2ncc(C(F)(F)F)cc2Cl)C1=O ZINC000003353479 194296923 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ZYOPUDNHOCPRTB-DEOSSOPVSA-N -1 3 466.563 3.484 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1cc(C)ccc1N(Cc1ccc(OC(C)C)cc1)C2=O ZINC000009925793 195024111 /nfs/dbraw/zinc/02/41/11/195024111.db2.gz ZYOPUDNHOCPRTB-XMMPIXPASA-N -1 3 466.563 3.484 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1cc(C)ccc1N(CCCOc1ccc(C)cc1)C2=O ZINC000009925804 195024131 /nfs/dbraw/zinc/02/41/31/195024131.db2.gz DIHOJJAWFUXZRX-DEOSSOPVSA-N -1 3 466.563 3.274 50 0 JGAAHM CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)CC[C@@H]1NC(=O)[N-]C1=O ZINC000009870574 195005774 /nfs/dbraw/zinc/00/57/74/195005774.db2.gz HQOMPISJJQPVPC-FQEVSTJZSA-N -1 3 465.941 3.198 50 0 JGAAHM CCOc1ccc(CN2c3ccc(C)cc3[C@]3(SC([N-]C(C)=O)=NN3C(C)=O)C2=O)cc1 ZINC000009872070 195006469 /nfs/dbraw/zinc/00/64/69/195006469.db2.gz URKOZOBLCHJBJJ-QHCPKHFHSA-N -1 3 452.536 3.096 50 0 JGAAHM CCOc1ccccc1CN1C(=O)[C@]2(SC([N-]C(C)=O)=NN2C(C)=O)c2cccc(Cl)c21 ZINC000009872417 195007022 /nfs/dbraw/zinc/00/70/22/195007022.db2.gz LKCZHZDFUHFQCQ-JOCHJYFZSA-N -1 3 472.954 3.441 50 0 JGAAHM O=C(CN1CCC(C(=O)Nc2ccccc2[O-])CC1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000009882354 195010255 /nfs/dbraw/zinc/01/02/55/195010255.db2.gz BPWBOYGNRPJIQI-UHFFFAOYSA-N -1 3 488.470 3.281 50 0 JGAAHM O=C(Cn1[n-]c(=O)c2ccccc2c1=O)Nc1ccc(N2C(=O)c3cccc4cccc(c43)C2=O)cc1 ZINC000012631075 195063179 /nfs/dbraw/zinc/06/31/79/195063179.db2.gz REXAIJKVEZTOMO-UHFFFAOYSA-N -1 3 490.475 3.282 50 0 JGAAHM O=C(/C=C/c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000012693048 195089179 /nfs/dbraw/zinc/08/91/79/195089179.db2.gz WVRXUYJUDWABRX-RGFVMQALSA-N -1 3 490.025 3.477 50 0 JGAAHM O=C(Nc1ccccc1[O-])C1CCN([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000012763825 195112490 /nfs/dbraw/zinc/11/24/90/195112490.db2.gz VOMRPTLUVLJKCO-GOSISDBHSA-N -1 3 461.440 3.394 50 0 JGAAHM CC(C)Cn1c(CCC(N)=O)nnc1SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000012786748 195128743 /nfs/dbraw/zinc/12/87/43/195128743.db2.gz LYHISGXTBSTDTQ-UHFFFAOYSA-N -1 3 458.569 3.202 50 0 JGAAHM O=C(CN1CCC(C(=O)Nc2ccccc2[O-])CC1)Nc1ccccc1I ZINC000012875320 195165623 /nfs/dbraw/zinc/16/56/23/195165623.db2.gz ACJWPNWQKICRJI-UHFFFAOYSA-N -1 3 479.318 3.286 50 0 JGAAHM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCC(C)(C)N3C[C@@H](C)O[C@H](C)C3)c2)cc1 ZINC000021526502 195305109 /nfs/dbraw/zinc/30/51/09/195305109.db2.gz JZARXIQKPOTFRL-RTBURBONSA-N -1 3 459.612 3.413 50 0 JGAAHM Cc1ccc([N-]S(=O)(=O)[C@H]2CCCC[C@H]2O)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000058330778 195377885 /nfs/dbraw/zinc/37/78/85/195377885.db2.gz DPEHCPJKJWMOHR-MSOLQXFVSA-N -1 3 458.989 3.494 50 0 JGAAHM COCCn1c(=O)[n-]c(=O)c(NCc2ccccc2)c1NC(=O)CCn1ccc2ccccc21 ZINC000058217971 195374182 /nfs/dbraw/zinc/37/41/82/195374182.db2.gz DVHSZQMSHALKDC-UHFFFAOYSA-N -1 3 461.522 3.191 50 0 JGAAHM CCCNC(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1 ZINC000033034211 519899087 /nfs/dbraw/zinc/89/90/87/519899087.db2.gz HOVNWCZSIIGWEG-UHFFFAOYSA-N -1 3 458.628 3.235 50 0 JGAAHM CCCCC(=O)N[C@]([N-]c1sc2c(c1C(=O)OCC)CCN(C)C2)(C(=O)OCC)C(F)(F)F ZINC000012419542 519914219 /nfs/dbraw/zinc/91/42/19/519914219.db2.gz JQXNDUQXZAFKKC-FQEVSTJZSA-N -1 3 493.548 3.453 50 0 JGAAHM CCCCN(CC)C(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000033032987 520473722 /nfs/dbraw/zinc/47/37/22/520473722.db2.gz DNFYEYYPWQIQOI-UHFFFAOYSA-N -1 3 474.627 3.168 50 0 JGAAHM CCN(CC)C(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2cc(C)c(C)cc2C)c1 ZINC000033033599 520552187 /nfs/dbraw/zinc/55/21/87/520552187.db2.gz GUPDVHXYNDSCNJ-UHFFFAOYSA-N -1 3 458.628 3.304 50 0 JGAAHM CCOC(=O)C[C@H](c1ccc(OCc2c(C)noc2C)c(OC)c1)c1oc(CO)cc(=O)c1[O-] ZINC000071286620 520897396 /nfs/dbraw/zinc/89/73/96/520897396.db2.gz UCGHUUNOWMOEFF-QGZVFWFLSA-N -1 3 473.478 3.115 50 0 JGAAHM CC1CCN(C(=O)Cn2c(=O)sc3cc(S(=O)(=O)[N-]c4ccc(F)cc4F)ccc32)CC1 ZINC000085651660 520982865 /nfs/dbraw/zinc/98/28/65/520982865.db2.gz AATBTUWPIWQOER-UHFFFAOYSA-N -1 3 481.546 3.401 50 0 JGAAHM CCOc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCC3(CC2)OCCO3)cc1OC ZINC000022626613 521230655 /nfs/dbraw/zinc/23/06/55/521230655.db2.gz OLOJYDFFDMTABF-SFHVURJKSA-N -1 3 460.556 3.140 50 0 JGAAHM CCS(=O)(=O)[N-]c1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc(C)cc4)C3)n2)cc1 ZINC000033276332 521684333 /nfs/dbraw/zinc/68/43/33/521684333.db2.gz WDPJMKTYJAWCFD-GOSISDBHSA-N -1 3 490.607 3.375 50 0 JGAAHM COc1cc(-c2noc(CSc3nc4[n-]ncc4c(=O)n3-c3ccccc3)n2)cc(OC)c1OC ZINC000033292207 521916190 /nfs/dbraw/zinc/91/61/90/521916190.db2.gz HWUKLXLFZURIBX-UHFFFAOYSA-N -1 3 492.517 3.477 50 0 JGAAHM COc1cc(-c2noc(CSc3nc4n[n-]cc4c(=O)n3-c3ccccc3)n2)cc(OC)c1OC ZINC000033292207 521916198 /nfs/dbraw/zinc/91/61/98/521916198.db2.gz HWUKLXLFZURIBX-UHFFFAOYSA-N -1 3 492.517 3.477 50 0 JGAAHM COC(=O)c1sc2[n-]c(CN(Cc3ccco3)C[C@@H](O)Cc3ccccc3)nc(=O)c2c1C ZINC000036206923 522434518 /nfs/dbraw/zinc/43/45/18/522434518.db2.gz ICADKXRSTBXLBS-KRWDZBQOSA-N -1 3 467.547 3.278 50 0 JGAAHM COc1ccc(-c2noc(CSc3nc4[n-]ncc4c(=O)n3-c3ccccc3)n2)cc1OC ZINC000033292206 523295096 /nfs/dbraw/zinc/29/50/96/523295096.db2.gz RNIRCIRTDCYXNZ-UHFFFAOYSA-N -1 3 462.491 3.468 50 0 JGAAHM COc1ccc(-c2noc(CSc3nc4n[n-]cc4c(=O)n3-c3ccccc3)n2)cc1OC ZINC000033292206 523295109 /nfs/dbraw/zinc/29/51/09/523295109.db2.gz RNIRCIRTDCYXNZ-UHFFFAOYSA-N -1 3 462.491 3.468 50 0 JGAAHM CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC3CCCC3)ccc2N2CCNCC2)cc1 ZINC000033034275 524015661 /nfs/dbraw/zinc/01/56/61/524015661.db2.gz ORJGTFPKQOPDDQ-UHFFFAOYSA-N -1 3 456.612 3.132 50 0 JGAAHM CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCCCCC3)ccc2N2CCNCC2)cc1 ZINC000033033453 524015856 /nfs/dbraw/zinc/01/58/56/524015856.db2.gz SKMUMYCOJVTQRU-UHFFFAOYSA-N -1 3 470.639 3.476 50 0 JGAAHM COc1ccc(CN2C(=O)[N-]C(=O)C(CCc3ccccn3)(CCc3ccccn3)C2=O)cc1 ZINC000016474458 524020709 /nfs/dbraw/zinc/02/07/09/524020709.db2.gz FDPUZCYPKKZZFR-UHFFFAOYSA-N -1 3 458.518 3.316 50 0 JGAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N3CCC(C)CC3)ccc2N2CCNCC2)c1 ZINC000033033203 524191967 /nfs/dbraw/zinc/19/19/67/524191967.db2.gz WUUZXVUDAKAKFV-UHFFFAOYSA-N -1 3 470.639 3.386 50 0 JGAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@@H]3C(=O)NC[C@H]3CCCO3)c2)c(C)c1 ZINC000021662250 524324030 /nfs/dbraw/zinc/32/40/30/524324030.db2.gz LVZFRRKISRZMFQ-DHIUTWEWSA-N -1 3 499.633 3.312 50 0 JGAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NCC(C)C)ccc2N2CCNCC2)cc1C ZINC000033034343 524324954 /nfs/dbraw/zinc/32/49/54/524324954.db2.gz YIGRGRBBEMLNLM-UHFFFAOYSA-N -1 3 458.628 3.208 50 0 JGAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCCCN4CCOCC4)CC3)cc2)cc1C ZINC000033115444 524325150 /nfs/dbraw/zinc/32/51/50/524325150.db2.gz ZXNVHODYXUYBRC-UHFFFAOYSA-N -1 3 485.650 3.283 50 0 JGAAHM Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3cccc(F)c3)ccc2N2CCNCC2)c1 ZINC000033034446 524806407 /nfs/dbraw/zinc/80/64/07/524806407.db2.gz RYDHEXRPYKGILS-UHFFFAOYSA-N -1 3 482.581 3.275 50 0 JGAAHM Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3ccccc3)ccc2N2CCNCC2)c1 ZINC000033033894 524807729 /nfs/dbraw/zinc/80/77/29/524807729.db2.gz YKNTZXHDSQAWBD-UHFFFAOYSA-N -1 3 464.591 3.135 50 0 JGAAHM C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C[C@@H](C)O1 ZINC000022433238 524890275 /nfs/dbraw/zinc/89/02/75/524890275.db2.gz CTEKXSYCBPCHGZ-IAGOWNOFSA-N -1 3 463.575 3.244 50 0 JGAAHM COc1ccc(S(=O)(=O)NCc2nnc(C(=O)[N-]c3ccccc3F)s2)cc1Cl ZINC000064991774 525068112 /nfs/dbraw/zinc/06/81/12/525068112.db2.gz XQGLTQONHVYAAI-UHFFFAOYSA-N -1 3 456.908 3.070 50 0 JGAAHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3cn4c(C(=O)N5CCOCC5)csc4n3)c2)cc1 ZINC000033299520 525087601 /nfs/dbraw/zinc/08/76/01/525087601.db2.gz NLULTHYIFBWCMC-UHFFFAOYSA-N -1 3 498.586 3.345 50 0 JGAAHM CS(=O)(=O)c1ccc2nc([N-]C(=O)c3cc(-c4ccc5c(c4)OCCO5)on3)sc2c1 ZINC000021786217 525267261 /nfs/dbraw/zinc/26/72/61/525267261.db2.gz RFVMMDVHIGIHQS-UHFFFAOYSA-N -1 3 457.489 3.378 50 0 JGAAHM Cc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)N2CCC(C)CC2)ccc1N1CCNCC1 ZINC000033033490 525332283 /nfs/dbraw/zinc/33/22/83/525332283.db2.gz LZAOMBKLFFEDEZ-UHFFFAOYSA-N -1 3 456.612 3.078 50 0 JGAAHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3cccc(F)c3)ccc2N2CCNCC2)cc1 ZINC000033034431 525592044 /nfs/dbraw/zinc/59/20/44/525592044.db2.gz CVDLTYMNKHMSGF-UHFFFAOYSA-N -1 3 482.581 3.275 50 0 JGAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)nc(CCN2CCN(c4ccccn4)CC2)n3C)cc1 ZINC000033557958 525610039 /nfs/dbraw/zinc/61/00/39/525610039.db2.gz DGNUOBHTMVIPJV-UHFFFAOYSA-N -1 3 490.633 3.442 50 0 JGAAHM Cc1c(C(=O)OC(C)C)sc2[n-]c(CN(Cc3ccco3)C[C@@H](O)COC(C)C)nc(=O)c12 ZINC000036206823 525669855 /nfs/dbraw/zinc/66/98/55/525669855.db2.gz LPFUSQPVLZUABX-MRXNPFEDSA-N -1 3 477.583 3.239 50 0 JGAAHM Cc1c([O-])ccc2c(COC(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc(=O)oc12 ZINC000016450163 525878483 /nfs/dbraw/zinc/87/84/83/525878483.db2.gz KBDLBIMTAMNWRB-UHFFFAOYSA-N -1 3 471.531 3.268 50 0 JGAAHM Cc1cc(-c2csc(S(=O)(=O)[N-]CCCN3CCN(c4ccccc4F)CC3)c2)on1 ZINC000033290261 526051205 /nfs/dbraw/zinc/05/12/05/526051205.db2.gz JAMUTBDSCBNDSD-UHFFFAOYSA-N -1 3 464.588 3.341 50 0 JGAAHM 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ZINC000016399898 527057601 /nfs/dbraw/zinc/05/76/01/527057601.db2.gz KRZUKIMYPNKBMD-UHFFFAOYSA-N -1 3 451.289 3.349 50 0 JGAAHM O=S(=O)([N-]c1ccc(Nc2ccc3nnc(C(F)(F)F)n3n2)cc1)c1ccc2c(c1)OCCO2 ZINC000014265008 527249629 /nfs/dbraw/zinc/24/96/29/527249629.db2.gz SZOAZAJSIQFSOL-UHFFFAOYSA-N -1 3 492.439 3.459 50 0 JGAAHM O=C(NC1CCCC1)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000033034288 527511401 /nfs/dbraw/zinc/51/14/01/527511401.db2.gz ZAENLFYMTLDUGF-UHFFFAOYSA-N -1 3 480.993 3.362 50 0 JGAAHM O=C(NCC1(N2CCOCC2)CCCCC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000022444682 527573089 /nfs/dbraw/zinc/57/30/89/527573089.db2.gz QWTIRCWQVJQKRO-UHFFFAOYSA-N -1 3 457.596 3.252 50 0 JGAAHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3[O-])c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000000707513 553764343 /nfs/dbraw/zinc/76/43/43/553764343.db2.gz HNTLASMDVDSBKJ-JCAJYURWSA-N -1 3 484.961 3.166 50 0 JGAAHM CSc1ccc(S(=O)(=O)[N-]c2c(C)cc(OCC(=O)N3CCOCC3)cc2C)cc1 ZINC000000717112 553769392 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50 0 JGAAHM COc1ccc([O-])c(C(=O)N2CCC3(CC2)c2ccccc2[C@@H](NC(=O)c2ccccn2)[C@@H]3OC)c1 ZINC000011965407 555871550 /nfs/dbraw/zinc/87/15/50/555871550.db2.gz HLIARYJHIXOMLF-RPBOFIJWSA-N -1 3 487.556 3.470 50 0 JGAAHM CNS(=O)(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc1 ZINC000015622895 555920056 /nfs/dbraw/zinc/92/00/56/555920056.db2.gz IYZVRIXEOSMBEN-UHFFFAOYSA-N -1 3 479.967 3.301 50 0 JGAAHM CCOC(=O)C1CCN([C@H](c2sc3nc(CC)nn3c2[O-])c2ccc(OC)c(OC)c2)CC1 ZINC000022853562 555960301 /nfs/dbraw/zinc/96/03/01/555960301.db2.gz OQGDUUJSVRFXPB-IBGZPJMESA-N -1 3 474.583 3.441 50 0 JGAAHM CCc1nc2sc([C@H](c3ccc(C(F)(F)F)cc3)N3CCC(C(N)=O)CC3)c([O-])n2n1 ZINC000022853789 555960589 /nfs/dbraw/zinc/96/05/89/555960589.db2.gz XPYAIYVEKOOTDB-HNNXBMFYSA-N -1 3 453.490 3.364 50 0 JGAAHM CCN1CCN(Cc2ccc([N-]S(=O)(=O)c3ccc4c(c3)NC(=O)C[C@@H](C)S4)cc2)CC1 ZINC000022937271 555990140 /nfs/dbraw/zinc/99/01/40/555990140.db2.gz PTFMWKFXTNOBMS-QGZVFWFLSA-N -1 3 474.652 3.448 50 0 JGAAHM CCN1CCN(Cc2ccc([N-]S(=O)(=O)c3ccc4c(c3)NC(=O)C[C@H](C)S4)cc2)CC1 ZINC000022937268 555990259 /nfs/dbraw/zinc/99/02/59/555990259.db2.gz PTFMWKFXTNOBMS-KRWDZBQOSA-N -1 3 474.652 3.448 50 0 JGAAHM COc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2)N(C)C)cc1 ZINC000012532519 556002995 /nfs/dbraw/zinc/00/29/95/556002995.db2.gz OJJPGQKPEBWMCJ-QFIPXVFZSA-N -1 3 497.573 3.257 50 0 JGAAHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CCN(c2ccccc2O)CC1 ZINC000023077375 556005577 /nfs/dbraw/zinc/00/55/77/556005577.db2.gz BNQNWNOOAXTCRO-UHFFFAOYSA-N -1 3 455.511 3.295 50 0 JGAAHM COc1cc([C@H]2SC([N-]C(C)=O)=NN2C(C)=O)cc(Br)c1OC(=O)c1ccco1 ZINC000015832909 556018098 /nfs/dbraw/zinc/01/80/98/556018098.db2.gz UBVSAPUVLMDDIT-MRXNPFEDSA-N -1 3 482.312 3.271 50 0 JGAAHM CCN1CCN(c2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000012543243 556019086 /nfs/dbraw/zinc/01/90/86/556019086.db2.gz GLYFFRXZJPYCCB-UHFFFAOYSA-N -1 3 451.976 3.444 50 0 JGAAHM COc1ccc(Cc2nn3c(nnc3SCC(=O)Nc3cc(C)ccc3C)[n-]c2=O)cc1 ZINC000015882083 556054754 /nfs/dbraw/zinc/05/47/54/556054754.db2.gz IODGLGCVUAEFGL-UHFFFAOYSA-N -1 3 450.524 3.172 50 0 JGAAHM COc1ccc(Cc2nn3c(nnc3SCC(=O)Nc3ccc(C)cc3C)[n-]c2=O)cc1 ZINC000015882084 556054846 /nfs/dbraw/zinc/05/48/46/556054846.db2.gz BEEPTQMYXLVUGN-UHFFFAOYSA-N -1 3 450.524 3.172 50 0 JGAAHM O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000023538201 556077087 /nfs/dbraw/zinc/07/70/87/556077087.db2.gz AAZOVBKFOCWVNA-UHFFFAOYSA-N -1 3 475.586 3.391 50 0 JGAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCN3C(=O)NC4(CCCC4)C3=O)cc2)cc1C ZINC000012584546 556081982 /nfs/dbraw/zinc/08/19/82/556081982.db2.gz CQLOZIBWFXODJT-UHFFFAOYSA-N -1 3 484.578 3.297 50 0 JGAAHM Cc1ccc(Br)c([N-]S(=O)(=O)c2cccc(C(=O)NC[C@@H]3CCCO3)c2)c1 ZINC000012584917 556082310 /nfs/dbraw/zinc/08/23/10/556082310.db2.gz VZOMUXXJFXVQTA-HNNXBMFYSA-N -1 3 453.358 3.467 50 0 JGAAHM COc1ccc(S(=O)(=O)N2CCC([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000012927267 556145669 /nfs/dbraw/zinc/14/56/69/556145669.db2.gz SSBOZLPRSYQJTN-UHFFFAOYSA-N -1 3 479.407 3.134 50 0 JGAAHM COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000016631536 556148618 /nfs/dbraw/zinc/14/86/18/556148618.db2.gz QHEBLDYOJCALLI-IBGZPJMESA-N -1 3 453.491 3.487 50 0 JGAAHM COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000016631538 556148668 /nfs/dbraw/zinc/14/86/68/556148668.db2.gz QHEBLDYOJCALLI-LJQANCHMSA-N -1 3 453.491 3.487 50 0 JGAAHM C[C@@]1(CSc2ccccc2C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)NC(=O)[N-]C1=O ZINC000012939259 556152983 /nfs/dbraw/zinc/15/29/83/556152983.db2.gz SFYGPTRJBFVGQH-DEOSSOPVSA-N -1 3 487.025 3.425 50 0 JGAAHM Cc1ccc(Br)c([N-]S(=O)(=O)c2cccc(C(=O)NC3=NCCS3)c2)c1 ZINC000024829182 556157242 /nfs/dbraw/zinc/15/72/42/556157242.db2.gz HFIWTKAWGZFDPI-UHFFFAOYSA-N -1 3 454.371 3.391 50 0 JGAAHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000024883424 556162202 /nfs/dbraw/zinc/16/22/02/556162202.db2.gz MPYVQTZUAFMESW-UHFFFAOYSA-N -1 3 451.504 3.226 50 0 JGAAHM CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)ccc1C ZINC000012973667 556165563 /nfs/dbraw/zinc/16/55/63/556165563.db2.gz UYGPNPBBXGZJJO-UHFFFAOYSA-N -1 3 484.578 3.110 50 0 JGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(N4CCOCC4)n3)cc2)cc1 ZINC000017013783 556203913 /nfs/dbraw/zinc/20/39/13/556203913.db2.gz PKHIXDQQEIXXLK-UHFFFAOYSA-N -1 3 455.540 3.175 50 0 JGAAHM Cc1ccc(C)c(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCC(=O)Nc2ccc(Cl)cc2)c1 ZINC000017026647 556206424 /nfs/dbraw/zinc/20/64/24/556206424.db2.gz TXLAVXDTTHZJNH-UHFFFAOYSA-N -1 3 496.980 3.236 50 0 JGAAHM Cc1ccc(C)c(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCC(=O)Nc2cccc(Cl)c2)c1 ZINC000017026655 556206787 /nfs/dbraw/zinc/20/67/87/556206787.db2.gz YGRYATRZJVZGMH-UHFFFAOYSA-N -1 3 496.980 3.236 50 0 JGAAHM C[C@H](NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F)c1ccc2c(c1)OCCO2 ZINC000025389012 556211501 /nfs/dbraw/zinc/21/15/01/556211501.db2.gz PXBQEUNHQKNKQF-UWJYYQICSA-N -1 3 484.549 3.364 50 0 JGAAHM COc1cc(S(=O)(=O)[N-]c2ccccc2F)cc(C(=O)NCCc2cn3ccccc3n2)c1OC ZINC000025527510 556219396 /nfs/dbraw/zinc/21/93/96/556219396.db2.gz UWSBYBWLJMIJIO-UHFFFAOYSA-N -1 3 498.536 3.264 50 0 JGAAHM CS(=O)(=O)[N-]c1cc(NC(=O)CSc2nncn2-c2cccc(Cl)c2)ccc1F ZINC000025670906 556229545 /nfs/dbraw/zinc/22/95/45/556229545.db2.gz GYQVRURTEABUSJ-UHFFFAOYSA-N -1 3 455.924 3.162 50 0 JGAAHM O=C([C@@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)c1cccc(Cl)c1Cl)N1CCOCC1 ZINC000027474409 556280108 /nfs/dbraw/zinc/28/01/08/556280108.db2.gz KADVNODRYRHKEU-GOSISDBHSA-N -1 3 482.389 3.223 50 0 JGAAHM COc1ccccc1C(=O)[N-]n1c(=O)c2ccccc2nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000027527462 556288133 /nfs/dbraw/zinc/28/81/33/556288133.db2.gz FSDJVGWUGROBFD-UHFFFAOYSA-N -1 3 461.474 3.482 50 0 JGAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000018110850 556288724 /nfs/dbraw/zinc/28/87/24/556288724.db2.gz AEKGNECSMCTBPF-UHFFFAOYSA-N -1 3 465.513 3.249 50 0 JGAAHM CSCC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)NCCCn1cccn1 ZINC000030168317 556363869 /nfs/dbraw/zinc/36/38/69/556363869.db2.gz FKRZUOKORSXQRS-HNNXBMFYSA-N -1 3 498.980 3.162 50 0 JGAAHM Cc1ccc(CS(=O)(=O)[N-]C[C@@H](c2cccnc2)S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000019797374 556375414 /nfs/dbraw/zinc/37/54/14/556375414.db2.gz AVMCGDSVIMPMAX-QFIPXVFZSA-N -1 3 462.568 3.472 50 0 JGAAHM Cc1cc(S(=O)(=O)[C@@H](C[N-]S(=O)(=O)Cc2ccc(F)cc2)c2cccnc2)ccc1F ZINC000019797376 556375543 /nfs/dbraw/zinc/37/55/43/556375543.db2.gz HLQOLEVVHFCHEI-NRFANRHFSA-N -1 3 466.531 3.303 50 0 JGAAHM C[C@H](OC(=O)Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000032035276 556412899 /nfs/dbraw/zinc/41/28/99/556412899.db2.gz KJBNAXRZVPOEMD-ZDUSSCGKSA-N -1 3 467.927 3.230 50 0 JGAAHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)NC[C@@H](O)c3ccccc3OC)c2)c1 ZINC000032023179 556412910 /nfs/dbraw/zinc/41/29/10/556412910.db2.gz GUCRUDYYIWEETA-JOCHJYFZSA-N -1 3 466.490 3.134 50 0 JGAAHM CN(C)[C@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)c1cccc(F)c1 ZINC000032216775 556433658 /nfs/dbraw/zinc/43/36/58/556433658.db2.gz USYGQFNWKNKSDK-JOCHJYFZSA-N -1 3 499.564 3.430 50 0 JGAAHM CC(C)CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)c3ccc([N-]S(C)(=O)=O)cc3)cc2C1=O ZINC000032668333 556467362 /nfs/dbraw/zinc/46/73/62/556467362.db2.gz VODZMKBTZFGVOD-OAHLLOKOSA-N -1 3 486.546 3.128 50 0 JGAAHM Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)OCC(=O)[N-]c2cc(C(C)(C)C)no2)cc1 ZINC000032739569 556479590 /nfs/dbraw/zinc/47/95/90/556479590.db2.gz KHKCUWZZBIHDQQ-QGZVFWFLSA-N -1 3 463.556 3.006 50 0 JGAAHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN([C@@H](C)c3nc4ccccc4s3)CC2)ccc1Cl ZINC000032740898 556480421 /nfs/dbraw/zinc/48/04/21/556480421.db2.gz FMMIAEIAVWVPAI-AWEZNQCLSA-N -1 3 479.027 3.377 50 0 JGAAHM CCN(CCC[N-]S(=O)(=O)c1cc(Br)ccc1OC)C(=O)OC(C)(C)C ZINC000032913437 556538013 /nfs/dbraw/zinc/53/80/13/556538013.db2.gz HKEXSXHLFXPOAO-UHFFFAOYSA-N -1 3 451.383 3.383 50 0 JGAAHM CCCCS(=O)(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)c1 ZINC000032926258 556543315 /nfs/dbraw/zinc/54/33/15/556543315.db2.gz XNFQCUQSURVBGK-UHFFFAOYSA-N -1 3 473.548 3.135 50 0 JGAAHM Cc1nc(-c2ccc(NC(=O)CCNS(=O)(=O)c3ccc4ccccc4c3)cc2)cc(=O)[n-]1 ZINC000032933239 556548843 /nfs/dbraw/zinc/54/88/43/556548843.db2.gz XXMDSZJRQVFHDK-UHFFFAOYSA-N -1 3 462.531 3.206 50 0 JGAAHM Cc1cc(C(=O)COC(=O)CC[N-]S(=O)(=O)c2cccs2)c(C)n1Cc1cccs1 ZINC000032945143 556559897 /nfs/dbraw/zinc/55/98/97/556559897.db2.gz XXSFALVKEOFGHN-UHFFFAOYSA-N -1 3 466.606 3.371 50 0 JGAAHM O=C(CSc1n[n-]c(-c2cccs2)n1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000008670748 562949261 /nfs/dbraw/zinc/94/92/61/562949261.db2.gz LKWJKVAIURFHNT-UHFFFAOYSA-N -1 3 499.643 3.312 50 0 aggregator JGAAHM COc1ccccc1N1CCN(Cc2cc(I)c([O-])c(OC)c2)CC1 ZINC000055292112 569591441 /nfs/dbraw/zinc/59/14/41/569591441.db2.gz GVPNIHYHUNRPDG-UHFFFAOYSA-N -1 3 454.308 3.336 50 0 JGAAHM O=C(NCCNC(=O)c1ccc([O-])cc1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000059418784 569603479 /nfs/dbraw/zinc/60/34/79/569603479.db2.gz OYHCXLOFPSECDC-UHFFFAOYSA-N -1 3 452.820 3.410 50 0 JGAAHM COC(=O)c1sc2nc(CN3CCCC[C@H]3C(=O)OC)ccc2c1[N-]C(=O)c1ccco1 ZINC000064007136 569616188 /nfs/dbraw/zinc/61/61/88/569616188.db2.gz OTSVFYUYJQSYJS-HNNXBMFYSA-N -1 3 457.508 3.456 50 0 JGAAHM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)N(Cc2noc(C4CC4)n2)C(=O)CO3)c1C ZINC000064450724 569617141 /nfs/dbraw/zinc/61/71/41/569617141.db2.gz BKDYMJCRUHGXTN-UHFFFAOYSA-N -1 3 454.508 3.290 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1cccc(C)c1N(CCOc1ccc(Cl)cc1)C2=O ZINC000033014270 569617848 /nfs/dbraw/zinc/61/78/48/569617848.db2.gz UITXZIYLJVMYAJ-QFIPXVFZSA-N -1 3 472.954 3.229 50 0 JGAAHM O=C([N-]c1cccc(F)c1)c1nnc(C(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)s1 ZINC000033024554 569620004 /nfs/dbraw/zinc/62/00/04/569620004.db2.gz OZFZWLKVVAGOCI-UHFFFAOYSA-N -1 3 485.516 3.237 50 0 JGAAHM COc1ccc(CN2CCc3nc(SCC(=O)Nc4cc(OC)cc(OC)c4)[n-]c(=O)c3C2)cc1 ZINC000033331753 569624333 /nfs/dbraw/zinc/62/43/33/569624333.db2.gz DWJBRVXVECJUNU-UHFFFAOYSA-N -1 3 496.589 3.497 50 0 JGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(C)nc(N4CCOCC4)n3)cc2)cc1C ZINC000064801954 569631653 /nfs/dbraw/zinc/63/16/53/569631653.db2.gz FVDKHHCULDQPQU-UHFFFAOYSA-N -1 3 469.567 3.483 50 0 JGAAHM CC1CCC([N-]S(=O)(=O)c2cc3c(cc2Cl)N(Cc2noc(C4CC4)n2)C(=O)CO3)CC1 ZINC000065022549 569649231 /nfs/dbraw/zinc/64/92/31/569649231.db2.gz UAXXLNUMLFANGG-UHFFFAOYSA-N -1 3 480.974 3.383 50 0 JGAAHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C(=O)NCCOC)cn3)cc2)cc1 ZINC000065063543 569656754 /nfs/dbraw/zinc/65/67/54/569656754.db2.gz RPACMFQZGARLHP-UHFFFAOYSA-N -1 3 498.561 3.399 50 0 JGAAHM Cc1sc(-c2noc(C(=O)N3CCOCC3)n2)cc1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000065097748 569661641 /nfs/dbraw/zinc/66/16/41/569661641.db2.gz PWHGDQQXUNMJOJ-UHFFFAOYSA-N -1 3 486.934 3.172 50 0 JGAAHM CN(C)[C@H](CNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc21)c1ccco1 ZINC000034887539 569668964 /nfs/dbraw/zinc/66/89/64/569668964.db2.gz MQYGRYKBPSQYHB-OAQYLSRUSA-N -1 3 498.536 3.094 50 0 JGAAHM CC(=O)[N-]C12O[C@@H](C(Cl)(Cl)Cl)CC1(OC(C)=O)C[C@H](C(Cl)(Cl)Cl)O2 ZINC000071767333 569697367 /nfs/dbraw/zinc/69/73/67/569697367.db2.gz GSATYCWIVLEIEJ-JRSICPIFSA-N -1 3 463.956 3.396 50 0 JGAAHM COC(=O)c1sccc1NC(=O)C[C@H](CN1CCN(c2cccc(Cl)c2)CC1)C(=O)[O-] ZINC000071283960 569696233 /nfs/dbraw/zinc/69/62/33/569696233.db2.gz ALBNIRQGEKKVKC-CQSZACIVSA-N -1 3 465.959 3.040 50 0 JGAAHM Cc1ccc(C(=O)Nc2ccc(N3CCC(C(N)=O)(N4CCCCC4)CC3)c(C(=O)[O-])c2)cc1 ZINC000035450702 569696716 /nfs/dbraw/zinc/69/67/16/569696716.db2.gz NDFNYOANGROLAX-UHFFFAOYSA-N -1 3 464.566 3.256 50 0 JGAAHM CCCn1c2ccc(-c3noc([C@@H]([N-]S(=O)(=O)c4ccccc4)C(C)C)n3)cc2[nH]c1=O ZINC000085618715 569711240 /nfs/dbraw/zinc/71/12/40/569711240.db2.gz YFJJJKRFCSUDEC-IBGZPJMESA-N -1 3 455.540 3.465 50 0 JGAAHM CCCC[C@@H](CC)C(=O)N1CCN(c2nc(CN3CCN(c4ccc(C)cc4)CC3)cc(=O)[n-]2)CC1 ZINC000035926754 569730011 /nfs/dbraw/zinc/73/00/11/569730011.db2.gz KQTPTBQWEYJDRL-HSZRJFAPSA-N -1 3 494.684 3.266 50 0 JGAAHM CCOC(=O)[N-]C(=O)C(=CNc1cc(Cl)c(Cl)cc1Cl)C(=O)NC(=O)OCC ZINC000096594136 569742255 /nfs/dbraw/zinc/74/22/55/569742255.db2.gz FBKCHCOICAYQKK-UHFFFAOYSA-N -1 3 452.678 3.488 50 0 JGAAHM COc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(C)cc2)cc(OC)c1OC ZINC000035993552 569745430 /nfs/dbraw/zinc/74/54/30/569745430.db2.gz ZKMICTNUHTWXHY-LLGFUMIMSA-N -1 3 468.428 3.125 50 0 JGAAHM CCN1CCN(c2ncc(-c3cc(=O)[n-]c(Nc4cccc(C(F)(F)F)c4)n3)c(C)n2)CC1 ZINC000036235721 569757651 /nfs/dbraw/zinc/75/76/51/569757651.db2.gz RULAOBNTNQVASS-UHFFFAOYSA-N -1 3 459.476 3.440 50 0 JGAAHM COc1cc2c(cc1OC)CN(Cc1coc([O-])c(CN3CCc4ccccc4C3)c1=O)CC2 ZINC000100796971 569770223 /nfs/dbraw/zinc/77/02/23/569770223.db2.gz BTRPTHAWLTZIAP-UHFFFAOYSA-N -1 3 462.546 3.479 50 0 biogenic JGAAHM COc1cc2c(cc1OC)CN(Cc1coc(=O)c(CN3CCc4ccccc4C3)c1[O-])CC2 ZINC000100796971 569770224 /nfs/dbraw/zinc/77/02/24/569770224.db2.gz BTRPTHAWLTZIAP-UHFFFAOYSA-N -1 3 462.546 3.479 50 0 biogenic JGAAHM COC(=O)c1[n-]n(-c2ccccc2Cl)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000100950662 569777783 /nfs/dbraw/zinc/77/77/83/569777783.db2.gz YCXGMQQBYLLMRS-GDBMZVCRSA-N -1 3 462.687 3.010 50 0 JGAAHM O=c1c(CN2CCN(c3ccccc3)CC2)coc([O-])c1CN1CCO[C@@H](c2ccccc2)C1 ZINC000101374982 569795064 /nfs/dbraw/zinc/79/50/64/569795064.db2.gz QHECPXCNCGUOHY-RUZDIDTESA-N -1 3 461.562 3.241 50 0 JGAAHM O=c1occ(CN2CCN(c3ccccc3)CC2)c([O-])c1CN1CCO[C@@H](c2ccccc2)C1 ZINC000101374982 569795065 /nfs/dbraw/zinc/79/50/65/569795065.db2.gz QHECPXCNCGUOHY-RUZDIDTESA-N -1 3 461.562 3.241 50 0 JGAAHM COc1ccccc1N1CCN(Cc2cc(=O)n3nc(NCc4ccc(Cl)cc4)[n-]c3n2)CC1 ZINC000101795862 569805143 /nfs/dbraw/zinc/80/51/43/569805143.db2.gz NJCXNVWQXIUPED-UHFFFAOYSA-N -1 3 479.972 3.014 50 0 JGAAHM COc1cccc([C@@H](NC(=O)[C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c2nccn2C)c1 ZINC000040040238 569814754 /nfs/dbraw/zinc/81/47/54/569814754.db2.gz FNTKUPDIACBWEN-BFUOFWGJSA-N -1 3 497.404 3.308 50 0 JGAAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2ccccc2)c(C(=O)[O-])c1OC ZINC000102733834 569818502 /nfs/dbraw/zinc/81/85/02/569818502.db2.gz JUMCWXATNOIGLB-MQSCRBSSSA-N -1 3 474.469 3.453 50 0 JGAAHM CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]Cc3cccc(OC)c3)cc21 ZINC000040450377 569828365 /nfs/dbraw/zinc/82/83/65/569828365.db2.gz GIEKSEUQFUCJBO-UHFFFAOYSA-N -1 3 453.358 3.235 50 0 JGAAHM COc1ccc(-c2[n-]n(-c3ccccc3)c3c(O)n(-c4ccc(OC(C)=O)cc4)c(=O)c2-3)cc1 ZINC000103519371 569835769 /nfs/dbraw/zinc/83/57/69/569835769.db2.gz UYUXISBWODJUMD-ISKFKSNPSA-N -1 3 455.470 3.403 50 0 JGAAHM COc1cccc(NC(=O)C2CC(=O)Nc3nc(SCCc4ccccc4)[n-]c(=O)c32)c1 ZINC000046074383 569843192 /nfs/dbraw/zinc/84/31/92/569843192.db2.gz ZUZGSYGAHXNYJA-KRWDZBQOSA-N -1 3 450.520 3.178 50 0 JGAAHM COc1ccccc1NC(=O)C1CC(=O)Nc2nc(SCc3cccc(C)c3)[n-]c(=O)c21 ZINC000046074874 569843740 /nfs/dbraw/zinc/84/37/40/569843740.db2.gz BBTKTEDWVNLEIB-HNNXBMFYSA-N -1 3 450.520 3.444 50 0 JGAAHM COc1ccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccc(C)cc4)[n-]c(=O)c32)cc1 ZINC000046074995 569843770 /nfs/dbraw/zinc/84/37/70/569843770.db2.gz PILAVFRQXIPVFL-QGZVFWFLSA-N -1 3 450.520 3.444 50 0 JGAAHM COc1cccc(NC(=O)C2CC(=O)Nc3nc(SCc4cccc(C)c4)[n-]c(=O)c32)c1 ZINC000046074880 569843776 /nfs/dbraw/zinc/84/37/76/569843776.db2.gz JVAKEJDFRRZMHN-KRWDZBQOSA-N -1 3 450.520 3.444 50 0 JGAAHM COc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)NCc2ccc(F)cc2F)cc1Cl ZINC000051316636 569850986 /nfs/dbraw/zinc/85/09/86/569850986.db2.gz YLHTZNQMAYCCFE-UHFFFAOYSA-N -1 3 491.907 3.458 50 0 JGAAHM COc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)NCc2ccc(F)cc2F)cc1Cl ZINC000051316636 569850987 /nfs/dbraw/zinc/85/09/87/569850987.db2.gz YLHTZNQMAYCCFE-UHFFFAOYSA-N -1 3 491.907 3.458 50 0 JGAAHM COc1ccc(CNC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccc(OC)c(Cl)c2)cc1 ZINC000051316629 569851042 /nfs/dbraw/zinc/85/10/42/569851042.db2.gz UQZXHBQUWSOHNW-UHFFFAOYSA-N -1 3 485.953 3.188 50 0 JGAAHM COc1ccc(CNC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccc(OC)c(Cl)c2)cc1 ZINC000051316629 569851043 /nfs/dbraw/zinc/85/10/43/569851043.db2.gz UQZXHBQUWSOHNW-UHFFFAOYSA-N -1 3 485.953 3.188 50 0 JGAAHM COc1cc([C@H]2[C@@H](S(=O)(=O)[N-]Cc3cccc(C(F)(F)F)c3)CON2C)cc(OC)c1OC ZINC000105049237 569852544 /nfs/dbraw/zinc/85/25/44/569852544.db2.gz ORZSGLCZUPNCOF-OALUTQOASA-N -1 3 490.500 3.138 50 0 JGAAHM COc1cc([C@H]2[C@@H](S(=O)(=O)[N-]Cc3ccccn3)CON2C)ccc1OCc1ccccc1 ZINC000105049281 569852565 /nfs/dbraw/zinc/85/25/65/569852565.db2.gz VBJWRZFOXMDIPD-ZEQRLZLVSA-N -1 3 469.563 3.076 50 0 JGAAHM O=C([O-])COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)C2ON1c1ccccc1 ZINC000245240100 570058020 /nfs/dbraw/zinc/05/80/20/570058020.db2.gz LJPHILJUFXPTNI-ZLNRFVROSA-N -1 3 462.433 3.340 50 0 JGAAHM O=C1C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@H]3C2=C([O-])N1c1ccc(F)cc1 ZINC000247703671 570068732 /nfs/dbraw/zinc/06/87/32/570068732.db2.gz BRBRZCNNNUKVTD-ZJZGAYNASA-N -1 3 479.471 3.301 50 0 JGAAHM O=C1C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@@H]3C2=C([O-])N1c1ccc(F)cc1 ZINC000247703670 570068868 /nfs/dbraw/zinc/06/88/68/570068868.db2.gz BRBRZCNNNUKVTD-SBFWRKJZSA-N -1 3 479.471 3.301 50 0 JGAAHM CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Cl)ccc3[O-])c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000252669437 570091622 /nfs/dbraw/zinc/09/16/22/570091622.db2.gz HNTLASMDVDSBKJ-NRFANRHFSA-N -1 3 484.961 3.166 50 0 JGAAHM CCOC(=O)C1=C(C)N=c2sc(=CCc3cc(Cl)ccc3[O-])c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000252672061 570092681 /nfs/dbraw/zinc/09/26/81/570092681.db2.gz PBLNSLQJJLNPGN-QFIPXVFZSA-N -1 3 498.988 3.360 50 0 JGAAHM COC(=O)C[C@@H](c1ccncc1)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1[O-] ZINC000263585769 570171382 /nfs/dbraw/zinc/17/13/82/570171382.db2.gz MGHQXOSWRYRDRD-FQEVSTJZSA-N -1 3 480.517 3.011 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCc4ccccc4C3)cc2)cc1 ZINC000001050856 194010114 /nfs/dbraw/zinc/01/01/14/194010114.db2.gz JWADPRDYJZGEAL-UHFFFAOYSA-N -1 3 452.532 3.460 50 0 JGAAHM COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc(Cl)c1[O-] ZINC000001128179 194037429 /nfs/dbraw/zinc/03/74/29/194037429.db2.gz LWRFJNBAPKXAGA-CPNJWEJPSA-N -1 3 487.965 3.439 50 0 JGAAHM COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc(I)c1[O-] ZINC000001134847 194041311 /nfs/dbraw/zinc/04/13/11/194041311.db2.gz VDTFSBLLKRIUAV-INIZCTEOSA-N -1 3 479.274 3.272 50 0 JGAAHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3[O-])c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000001202899 194069207 /nfs/dbraw/zinc/06/92/07/194069207.db2.gz DFPJNHWOILHBAO-JCAJYURWSA-N -1 3 484.961 3.166 50 0 JGAAHM NC(=O)c1c2c(sc1NC(=O)CSc1n[n-]c(COc3ccc(Cl)cc3)n1)CCC2 ZINC000003373019 194306297 /nfs/dbraw/zinc/30/62/97/194306297.db2.gz WYQJPZZIVNSLCY-UHFFFAOYSA-N -1 3 463.972 3.417 50 0 JGAAHM COc1ccc(CNC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccccc2F)cc1OC ZINC000003503764 194333831 /nfs/dbraw/zinc/33/38/31/194333831.db2.gz DLTCKHZGEMPPFB-FQEVSTJZSA-N -1 3 472.538 3.049 50 0 JGAAHM C[C@]1(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-][C@@H]3CCCc4ccccc43)c2)CCS(=O)(=O)C1 ZINC000009125775 194550623 /nfs/dbraw/zinc/55/06/23/194550623.db2.gz AYJGAOGBAONQMS-KNQAVFIVSA-N -1 3 497.038 3.003 50 0 JGAAHM Cc1ccc(Br)c([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H]3C(=O)N(C)C)c2)c1 ZINC000009319632 194689879 /nfs/dbraw/zinc/68/98/79/194689879.db2.gz YIZBTYFMBKOGRR-LJQANCHMSA-N -1 3 494.411 3.251 50 0 JGAAHM CCOc1ccccc1N1CCN(C(=O)CC[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000009630800 194827678 /nfs/dbraw/zinc/82/76/78/194827678.db2.gz DSUVBYUJGFNZJE-UHFFFAOYSA-N -1 3 485.528 3.121 50 0 JGAAHM COc1ccc(NC(=O)CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)[n-]2)c(OC)c1 ZINC000009704213 194901957 /nfs/dbraw/zinc/90/19/57/194901957.db2.gz RRYOXKVHGNURBP-UHFFFAOYSA-N -1 3 455.471 3.408 50 0 JGAAHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CCn1nc(-c2ccccc2)ccc1=O ZINC000009844458 194989144 /nfs/dbraw/zinc/98/91/44/194989144.db2.gz UQUDEOIXQZAVQV-UHFFFAOYSA-N -1 3 478.368 3.050 50 0 JGAAHM CCOc1ccc(CN2c3ccc(C)cc3[C@@]3(SC([N-]C(C)=O)=NN3C(C)=O)C2=O)cc1 ZINC000009872067 195006514 /nfs/dbraw/zinc/00/65/14/195006514.db2.gz URKOZOBLCHJBJJ-HSZRJFAPSA-N -1 3 452.536 3.096 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1cccc(Cl)c1N(CCOc1ccc(C)cc1)C2=O ZINC000009872318 195006896 /nfs/dbraw/zinc/00/68/96/195006896.db2.gz USFCUMOOFSFZLC-QFIPXVFZSA-N -1 3 472.954 3.229 50 0 JGAAHM O=C(c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl)N1CCN(Cc2ccsc2)CC1 ZINC000012624158 195058658 /nfs/dbraw/zinc/05/86/58/195058658.db2.gz RNQQBYFMWUUDMC-UHFFFAOYSA-N -1 3 474.435 3.454 50 0 JGAAHM O=C(CN1c2ccccc2OCCC1=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012786389 195128603 /nfs/dbraw/zinc/12/86/03/195128603.db2.gz MTQXHWBQGTWYMA-UHFFFAOYSA-N -1 3 469.494 3.381 50 0 JGAAHM CCN(CC)C(=O)c1cc(C(=O)[N-]c2c(F)c(F)c(Br)c(F)c2F)n(C)n1 ZINC000020606125 195181090 /nfs/dbraw/zinc/18/10/90/195181090.db2.gz BBTMJZLDIOZFMR-UHFFFAOYSA-N -1 3 451.218 3.473 50 0 JGAAHM O=C(Cc1ccsc1)N1CCC(c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[n-]2)CC1 ZINC000020890078 195236690 /nfs/dbraw/zinc/23/66/90/195236690.db2.gz CZCNDVNIYADABQ-UHFFFAOYSA-N -1 3 468.970 3.227 50 0 JGAAHM COc1nn(C)cc1C(=O)[N-]c1nnc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)s1 ZINC000021011201 195266656 /nfs/dbraw/zinc/26/66/56/195266656.db2.gz XTWXVGFQZGFYOI-UHFFFAOYSA-N -1 3 488.473 3.162 50 0 JGAAHM COc1nn(C)cc1C(=O)[N-]c1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)s1 ZINC000021011197 195266661 /nfs/dbraw/zinc/26/66/61/195266661.db2.gz ANXCBJPMQXAGII-UHFFFAOYSA-N -1 3 472.474 3.282 50 0 JGAAHM COc1ccc2cc([C@H]3SCC(=O)Nc4c3c(=O)[n-]n4[C@@H]3CCOC(C)(C)C3)c(=O)[nH]c2c1 ZINC000096230722 130000082 /nfs/dbraw/zinc/00/00/82/130000082.db2.gz YOCXYVVSINXPIX-BFUOFWGJSA-N -1 3 470.551 3.344 50 0 JGAAHM Cc1cc(C(=O)COC(=O)C[N-]S(=O)(=O)C=Cc2ccccc2)c(C)n1Cc1ccccc1 ZINC000096499511 130109573 /nfs/dbraw/zinc/10/95/73/130109573.db2.gz XTJUFYKDJUDQDT-YPKPFQOOSA-N -1 3 466.559 3.469 50 0 JGAAHM CC(C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3cccnc3)ccc2N2CCNCC2)cc1 ZINC000033033831 519838679 /nfs/dbraw/zinc/83/86/79/519838679.db2.gz AMUYYYMAQCOVRV-UHFFFAOYSA-N -1 3 493.633 3.345 50 0 JGAAHM CCCn1c(=O)[n-]nc1SCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC000016045574 521615184 /nfs/dbraw/zinc/61/51/84/521615184.db2.gz IAWDYHFMZRDIQR-FQEVSTJZSA-N -1 3 451.552 3.460 50 0 JGAAHM CCc1ccccc1-n1c(=O)c2c[n-]nc2nc1SCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000008666614 521802540 /nfs/dbraw/zinc/80/25/40/521802540.db2.gz UTBAYQHFXVRAEN-UHFFFAOYSA-N -1 3 463.519 3.173 50 0 JGAAHM CCc1ccccc1-n1c(=O)c2cn[n-]c2nc1SCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000008666614 521802549 /nfs/dbraw/zinc/80/25/49/521802549.db2.gz UTBAYQHFXVRAEN-UHFFFAOYSA-N -1 3 463.519 3.173 50 0 JGAAHM CC[C@@H](C)NC(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c1 ZINC000033034054 522215559 /nfs/dbraw/zinc/21/55/59/522215559.db2.gz HHXOYBAXUYRBBL-MRXNPFEDSA-N -1 3 465.019 3.387 50 0 JGAAHM COC(=O)c1sc2[n-]c(CN(Cc3ccccc3)C[C@H](O)COC(C)(C)C)nc(=O)c2c1C ZINC000036206936 522435855 /nfs/dbraw/zinc/43/58/55/522435855.db2.gz YSRWFGZHAHXMCE-KRWDZBQOSA-N -1 3 473.595 3.258 50 0 JGAAHM COC(=O)c1sccc1S(=O)(=O)[N-]CC1CCN(c2nc3ccccc3s2)CC1 ZINC000070923732 522452155 /nfs/dbraw/zinc/45/21/55/522452155.db2.gz WZEYBYBMSWWXNX-UHFFFAOYSA-N -1 3 451.595 3.339 50 0 JGAAHM COc1cc(NC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccccc2C)cc(OC)c1OC ZINC000009490042 522666143 /nfs/dbraw/zinc/66/61/43/522666143.db2.gz LCAZGVFWSLWZPC-UHFFFAOYSA-N -1 3 481.534 3.174 50 0 JGAAHM COc1cc(NC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccccc2C)cc(OC)c1OC ZINC000009490042 522666155 /nfs/dbraw/zinc/66/61/55/522666155.db2.gz LCAZGVFWSLWZPC-UHFFFAOYSA-N -1 3 481.534 3.174 50 0 JGAAHM COC[C@H](O)CN(Cc1ccco1)Cc1nc(=O)c2c3c(sc2[n-]1)CN(Cc1ccccc1)CC3 ZINC000036155909 522785793 /nfs/dbraw/zinc/78/57/93/522785793.db2.gz NDSRIBHNFMQNBT-LJQANCHMSA-N -1 3 494.617 3.145 50 0 JGAAHM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1 ZINC000012508762 523176904 /nfs/dbraw/zinc/17/69/04/523176904.db2.gz ASLYUCSAZHOXCW-UHFFFAOYSA-N -1 3 452.584 3.315 50 0 JGAAHM CN(Cc1ccccc1)C(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000033033908 523340175 /nfs/dbraw/zinc/34/01/75/523340175.db2.gz YIUKZSOHLPWGIY-UHFFFAOYSA-N -1 3 482.581 3.308 50 0 JGAAHM 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JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1cc(Br)ccc1N(Cc1ccccc1)C2=O ZINC000002454239 554221535 /nfs/dbraw/zinc/22/15/35/554221535.db2.gz LRACLFFJQVACLP-FQEVSTJZSA-N -1 3 473.352 3.151 50 0 JGAAHM C[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(=O)OCc1csc(-c2ccccc2)n1 ZINC000002627938 554250980 /nfs/dbraw/zinc/25/09/80/554250980.db2.gz YGUSEUSONZTUHD-GFCCVEGCSA-N -1 3 460.562 3.225 50 0 JGAAHM CN(C)S(=O)(=O)c1cc(C(=O)[N-]c2ncn(Cc3ccccc3)n2)c(Cl)cc1Cl ZINC000002793145 554348566 /nfs/dbraw/zinc/34/85/66/554348566.db2.gz HDNHJMIKQBKEJG-UHFFFAOYSA-N -1 3 454.339 3.136 50 0 JGAAHM CN(C)S(=O)(=O)c1cc(C(=O)[N-]c2ncn(Cc3cccc(F)c3)n2)c(Cl)cc1Cl ZINC000002793419 554348922 /nfs/dbraw/zinc/34/89/22/554348922.db2.gz HBUGPVDGNQLUFH-UHFFFAOYSA-N -1 3 472.329 3.275 50 0 JGAAHM CCn1ncc(-n2c(Cn3nc(C(F)(F)F)c(Br)c3C)n[n-]c2=S)c1C ZINC000002802463 554354006 /nfs/dbraw/zinc/35/40/06/554354006.db2.gz LLDCZVCEBUXBLC-UHFFFAOYSA-N -1 3 450.288 3.415 50 0 JGAAHM CN(CCCNC(=O)CCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)Cc1ccccc1 ZINC000002975211 554414925 /nfs/dbraw/zinc/41/49/25/554414925.db2.gz RKRLDHMXCSOLKB-UHFFFAOYSA-N -1 3 468.579 3.206 50 0 JGAAHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3[O-])c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000006226343 554520140 /nfs/dbraw/zinc/52/01/40/554520140.db2.gz HNTLASMDVDSBKJ-SRKIZSPNSA-N -1 3 484.961 3.166 50 0 JGAAHM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1cccc(S(=O)(=O)[N-]c3ccccc3F)c1)C2=O ZINC000008744954 554647982 /nfs/dbraw/zinc/64/79/82/554647982.db2.gz PNSFCRSFIGNNDC-CMJOXMDJSA-N -1 3 488.541 3.066 50 0 JGAAHM CCCCC(=O)N[C@@]([N-]c1sc2c(c1C(=O)OCC)CCN(C)C2)(C(=O)OCC)C(F)(F)F ZINC000008854925 554750526 /nfs/dbraw/zinc/75/05/26/554750526.db2.gz JQXNDUQXZAFKKC-HXUWFJFHSA-N -1 3 493.548 3.453 50 0 JGAAHM CN(C)Cc1ccccc1CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000008897192 554787290 /nfs/dbraw/zinc/78/72/90/554787290.db2.gz HTYYLMZERZNGDI-UHFFFAOYSA-N -1 3 467.547 3.208 50 0 JGAAHM COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)cc(I)c1[O-] ZINC000008919601 554816246 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CCOC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1 ZINC000001141343 194044993 /nfs/dbraw/zinc/04/49/93/194044993.db2.gz JIWRAOSMUKCIDR-UHFFFAOYSA-N -1 3 461.277 3.034 50 0 JGAAHM CC(NC1CCN(Cc2ccccc2)CC1)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000001298225 194082074 /nfs/dbraw/zinc/08/20/74/194082074.db2.gz DTACTYTXLNPNBY-LTGZKZEYSA-N -1 3 452.942 3.451 50 0 JGAAHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3[O-])c(=O)n2[C@@H]1c1ccccc1 ZINC000002308873 194159530 /nfs/dbraw/zinc/15/95/30/194159530.db2.gz ROYMRAVJTHZLMO-JKALPCAWSA-N -1 3 499.386 3.266 50 0 JGAAHM O=C(CC[C@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC000002966873 194184562 /nfs/dbraw/zinc/18/45/62/194184562.db2.gz XMOCQZGRPCPURF-HSZRJFAPSA-N -1 3 489.645 3.206 50 0 JGAAHM CC(=O)Nc1ccc(NC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccc(Cl)cc2)cc1 ZINC000003014387 194206949 /nfs/dbraw/zinc/20/69/49/194206949.db2.gz GSYCRZYMIPDPCG-UHFFFAOYSA-N -1 3 468.926 3.451 50 0 JGAAHM CC(=O)Nc1ccc(NC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccc(Cl)cc2)cc1 ZINC000003014387 194206951 /nfs/dbraw/zinc/20/69/51/194206951.db2.gz GSYCRZYMIPDPCG-UHFFFAOYSA-N -1 3 468.926 3.451 50 0 JGAAHM O=C([N-]c1c(F)cc(F)cc1Br)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000003023322 194210001 /nfs/dbraw/zinc/21/00/01/194210001.db2.gz DAYSWAWJRMBMPB-UHFFFAOYSA-N -1 3 479.274 3.140 50 0 JGAAHM O=C(Nc1ccccc1F)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000003219623 194241713 /nfs/dbraw/zinc/24/17/13/194241713.db2.gz KUMTVCJWYNIMNN-GOSISDBHSA-N -1 3 456.524 3.359 50 0 JGAAHM COc1ccccc1C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCO2)c(Cl)cc1Cl ZINC000003441250 194325346 /nfs/dbraw/zinc/32/53/46/194325346.db2.gz HBIDNHBZIKHADY-AWEZNQCLSA-N -1 3 473.378 3.389 50 0 JGAAHM COc1ccc(-n2c(=O)c3cc([O-])ccc3nc2SCC(=O)Nc2cc(C)on2)cc1OC ZINC000003444551 194326660 /nfs/dbraw/zinc/32/66/60/194326660.db2.gz CNZVMARQUKOFNF-UHFFFAOYSA-N -1 3 468.491 3.136 50 0 JGAAHM CCC[C@H](C)NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1 ZINC000003481916 194332216 /nfs/dbraw/zinc/33/22/16/194332216.db2.gz YDONPPLZRKDYOK-HNNXBMFYSA-N -1 3 452.960 3.280 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1cc(C)ccc1N(CCOc1ccccc1Cl)C2=O ZINC000009925800 195023974 /nfs/dbraw/zinc/02/39/74/195023974.db2.gz ISINRVSZRFTGSV-QFIPXVFZSA-N -1 3 472.954 3.229 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1cc(C)ccc1N(CCCOc1ccc(C)cc1)C2=O ZINC000009925803 195024145 /nfs/dbraw/zinc/02/41/45/195024145.db2.gz DIHOJJAWFUXZRX-XMMPIXPASA-N -1 3 466.563 3.274 50 0 JGAAHM CCOc1ccc(CN2C(=O)[C@]3(SC([N-]C(C)=O)=NN3C(C)=O)c3cccc(Cl)c32)cc1 ZINC000009872430 195007003 /nfs/dbraw/zinc/00/70/03/195007003.db2.gz GLZBSYVZEAXEPD-JOCHJYFZSA-N -1 3 472.954 3.441 50 0 JGAAHM COc1ccc(C(=O)NC2CCN(C)CC2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000009968742 195041511 /nfs/dbraw/zinc/04/15/11/195041511.db2.gz QQYHTPLOGRJRAE-UHFFFAOYSA-N -1 3 482.400 3.083 50 0 JGAAHM O=C(c1ccc2c(c1)OCO2)N1CCN(Cc2nc(=O)c3c(-c4cccs4)csc3[n-]2)CC1 ZINC000012743092 195101506 /nfs/dbraw/zinc/10/15/06/195101506.db2.gz URUAQMBQNPWQRU-UHFFFAOYSA-N -1 3 480.571 3.400 50 0 JGAAHM O=C(CN1CCC(C(=O)Nc2ccccc2[O-])CC1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012772145 195118370 /nfs/dbraw/zinc/11/83/70/195118370.db2.gz RFIURUBUXIWXOS-OAQYLSRUSA-N -1 3 465.550 3.178 50 0 JGAAHM O=C(CN1c2ccccc2OCCC1=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000012786383 195128573 /nfs/dbraw/zinc/12/85/73/195128573.db2.gz ZEUVELAFHPVNGO-UHFFFAOYSA-N -1 3 469.494 3.381 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN3c4ccccc4OCCC3=O)cc2)cc1 ZINC000012789906 195131011 /nfs/dbraw/zinc/13/10/11/195131011.db2.gz XPCIQJKIPRZXSJ-UHFFFAOYSA-N -1 3 481.530 3.250 50 0 JGAAHM O=C(Nc1cccc(N2CCCC2=O)c1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F ZINC000012789782 195130833 /nfs/dbraw/zinc/13/08/33/195130833.db2.gz XBFJCXAESFSHQO-JOCHJYFZSA-N -1 3 481.549 3.481 50 0 JGAAHM C[C@H](Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C(=O)NCc1ccccc1 ZINC000012796175 195136054 /nfs/dbraw/zinc/13/60/54/195136054.db2.gz CZVGDNYTEDBARO-KRWDZBQOSA-N -1 3 467.547 3.375 50 0 JGAAHM Cc1cc(=O)c(C(=O)[N-]n2c(C)nc3sccc3c2=O)nn1-c1ccccc1C(F)(F)F ZINC000012814074 195146164 /nfs/dbraw/zinc/14/61/64/195146164.db2.gz DUEOFQLWSPXQNP-UHFFFAOYSA-N -1 3 461.425 3.023 50 0 JGAAHM Cc1ccc(S(=O)(=O)N2CCC([N-]S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cc1 ZINC000012821674 195149665 /nfs/dbraw/zinc/14/96/65/195149665.db2.gz NGDXNEKETMLRRU-UHFFFAOYSA-N -1 3 463.408 3.433 50 0 JGAAHM COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1c([O-])[nH]c(=O)n([C@H](C)CCc2ccccc2)c1=O ZINC000020758013 195216965 /nfs/dbraw/zinc/21/69/65/195216965.db2.gz GTPZVCBYYMPSOY-IQMFZBJNSA-N -1 3 460.534 3.161 50 0 biogenic JGAAHM COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1c(=O)[nH]c(=O)n([C@H](C)CCc2ccccc2)c1[O-] ZINC000020758013 195216967 /nfs/dbraw/zinc/21/69/67/195216967.db2.gz GTPZVCBYYMPSOY-IQMFZBJNSA-N -1 3 460.534 3.161 50 0 biogenic JGAAHM COc1ccc(-c2noc([N-]C=O)c2C(=O)NCCC(=O)NCCc2ccccc2Cl)cc1 ZINC000020858654 195232571 /nfs/dbraw/zinc/23/25/71/195232571.db2.gz ANDTXXASFBYSFO-UHFFFAOYSA-N -1 3 470.913 3.051 50 0 JGAAHM O=C(Cc1cccc(Cl)c1)N1CCC(c2nc3c(nnn3Cc3ccccc3F)c(=O)[n-]2)CC1 ZINC000020869148 195235444 /nfs/dbraw/zinc/23/54/44/195235444.db2.gz IGWHMHDHZZPGCM-UHFFFAOYSA-N -1 3 480.931 3.304 50 0 JGAAHM CC(C)N(Cc1ccccc1)C(=O)COC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000020889930 195236736 /nfs/dbraw/zinc/23/67/36/195236736.db2.gz CQRDOQOUQLTESK-UHFFFAOYSA-N -1 3 473.378 3.252 50 0 JGAAHM Cc1ccc(CC(=O)N2CCC[C@H](c3nc4c(nnn4Cc4cc(C)ccc4C)c(=O)[n-]3)C2)cc1 ZINC000021178081 195290931 /nfs/dbraw/zinc/29/09/31/195290931.db2.gz VMTCJJNROCQOJI-NRFANRHFSA-N -1 3 470.577 3.437 50 0 JGAAHM COc1cc(S(=O)(=O)[N-]c2ccccc2F)cc(C(=O)NCCc2ccccn2)c1OC ZINC000021899851 195328945 /nfs/dbraw/zinc/32/89/45/195328945.db2.gz IUXTVTXXCNHMOU-UHFFFAOYSA-N -1 3 459.499 3.011 50 0 JGAAHM Cc1ccc([N-]S(=O)(=O)[C@H]2CCCC[C@@H]2O)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000058330776 195377783 /nfs/dbraw/zinc/37/77/83/195377783.db2.gz DPEHCPJKJWMOHR-ROUUACIJSA-N -1 3 458.989 3.494 50 0 JGAAHM C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000021724296 195320328 /nfs/dbraw/zinc/32/03/28/195320328.db2.gz UEWZLOUPZXQLEO-BZNIZROVSA-N -1 3 463.383 3.286 50 0 JGAAHM COc1ccc2cc([C@@H]3SCC(=O)Nc4c3c(=O)[n-]n4[C@@H]3CCOC(C)(C)C3)c(=O)[nH]c2c1 ZINC000096230720 130000040 /nfs/dbraw/zinc/00/00/40/130000040.db2.gz YOCXYVVSINXPIX-YJYMSZOUSA-N -1 3 470.551 3.344 50 0 JGAAHM CC(C)CNC(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000033034299 519741593 /nfs/dbraw/zinc/74/15/93/519741593.db2.gz ZHXYDQDDZOCRLD-UHFFFAOYSA-N -1 3 495.443 3.045 50 0 JGAAHM CCOC[C@H](O)CN(Cc1ccccc1)Cc1nc(=O)c2c(C)c(C(=O)OC(C)C)sc2[n-]1 ZINC000036206836 520154319 /nfs/dbraw/zinc/15/43/19/520154319.db2.gz OXSMCUQMLZYHSY-GOSISDBHSA-N -1 3 473.595 3.258 50 0 JGAAHM CCCCN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccc(CCC)cc2)cnc1N1CCNCC1 ZINC000065025300 520391866 /nfs/dbraw/zinc/39/18/66/520391866.db2.gz AVOIEZGSEXEQSH-UHFFFAOYSA-N -1 3 473.643 3.117 50 0 JGAAHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(Cl)cc1Cl ZINC000009254438 520666273 /nfs/dbraw/zinc/66/62/73/520666273.db2.gz VZGRIDHKNHARFD-LLVKDONJSA-N -1 3 494.422 3.360 50 0 JGAAHM CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nc3nc(C)cc(C)c3c(=O)[n-]2)cc1 ZINC000016045924 520803232 /nfs/dbraw/zinc/80/32/32/520803232.db2.gz JZHKGYYYIFHGNE-UHFFFAOYSA-N -1 3 475.596 3.109 50 0 JGAAHM CCN(CC)S(=O)(=O)c1ccc(OC)c([N-]C(=O)c2cc3c(nc4ccccn4c3=O)s2)c1 ZINC000008693887 520806282 /nfs/dbraw/zinc/80/62/82/520806282.db2.gz MRMDGUYNXDPZFH-UHFFFAOYSA-N -1 3 486.575 3.201 50 0 JGAAHM CCOc1ccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCC(=O)c2ccc(Cl)cc2)cc1 ZINC000017315245 520833935 /nfs/dbraw/zinc/83/39/35/520833935.db2.gz DDZWURDLWTZRDZ-UHFFFAOYSA-N -1 3 497.964 3.262 50 0 JGAAHM CC1CCN(C(=O)c2cc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cnc2N2CCNCC2)CC1 ZINC000035513980 520988529 /nfs/dbraw/zinc/98/85/29/520988529.db2.gz UKUFZGSUXYBKOW-UHFFFAOYSA-N -1 3 497.665 3.043 50 0 JGAAHM CCOc1ccc(Cn2nnc3c2nc(C2CCN(C(=O)c4ccccc4)CC2)[n-]c3=O)cc1 ZINC000008612532 521016876 /nfs/dbraw/zinc/01/68/76/521016876.db2.gz OKMHZUZUKUKPRT-UHFFFAOYSA-N -1 3 458.522 3.394 50 0 JGAAHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCCCCC3)ccc2N2CCNCC2)cc1 ZINC000033033539 521209001 /nfs/dbraw/zinc/20/90/01/521209001.db2.gz CJGGYDVJQHDXHB-UHFFFAOYSA-N -1 3 486.638 3.312 50 0 JGAAHM CCCc1ccc(S(=O)(=O)NCc2nnc(C(=O)[N-]c3ccc(F)cc3F)s2)cc1 ZINC000064991797 521409873 /nfs/dbraw/zinc/40/98/73/521409873.db2.gz HHDRRFOCADEFKR-UHFFFAOYSA-N -1 3 452.508 3.500 50 0 JGAAHM CCCn1c(=O)[n-]nc1SCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(OC)cc1 ZINC000016045573 521615097 /nfs/dbraw/zinc/61/50/97/521615097.db2.gz IAWDYHFMZRDIQR-HXUWFJFHSA-N -1 3 451.552 3.460 50 0 JGAAHM CCN1CCN(C(=O)c2ccc(OCc3nnc(C(=O)[N-]c4ccccc4F)s3)cc2)CC1 ZINC000033114325 521670232 /nfs/dbraw/zinc/67/02/32/521670232.db2.gz MKNUFZZECDIOTP-UHFFFAOYSA-N -1 3 469.542 3.286 50 0 JGAAHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H](c2ccccc2OC)N2CCCCC2)c(C)c1 ZINC000048287602 521685764 /nfs/dbraw/zinc/68/57/64/521685764.db2.gz YEQPQAVPFLJWEB-OAQYLSRUSA-N -1 3 495.667 3.271 50 0 JGAAHM COC(=O)c1sc2[n-]c(CN(Cc3ccco3)C[C@@H](O)COc3ccccc3)nc(=O)c2c1C ZINC000036207510 522434437 /nfs/dbraw/zinc/43/44/37/522434437.db2.gz WWULOFRKYRSOQY-MRXNPFEDSA-N -1 3 483.546 3.115 50 0 JGAAHM COC(=O)Cc1sc(NC(=O)CSc2nc3sc4c(c3c(=O)[n-]2)CCCC4)nc1C ZINC000016050869 523386774 /nfs/dbraw/zinc/38/67/74/523386774.db2.gz HIONKCPZVKYJPQ-UHFFFAOYSA-N -1 3 464.594 3.075 50 0 JGAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NCc3ccccc3)ccc2N2CCNCC2)c1 ZINC000033033873 524195455 /nfs/dbraw/zinc/19/54/55/524195455.db2.gz YZNPRTBZYWOBOM-UHFFFAOYSA-N -1 3 478.618 3.444 50 0 JGAAHM C[C@@H]1CCCN(C(=O)c2ccc(N3CCNCC3)c([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)C1 ZINC000033033092 524210525 /nfs/dbraw/zinc/21/05/25/524210525.db2.gz DAIWWGPWANKOIZ-QGZVFWFLSA-N -1 3 477.030 3.423 50 0 JGAAHM COc1ccc(Cn2nnc3c2nc([C@@H]2CCCN(C(=O)c4ccc(C)cc4)C2)[n-]c3=O)cc1 ZINC000008611568 524265390 /nfs/dbraw/zinc/26/53/90/524265390.db2.gz XLOZFWHZHNOYNZ-LJQANCHMSA-N -1 3 458.522 3.312 50 0 JGAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@@H]3C(=O)NC[C@@H]3CCCO3)c2)c(C)c1 ZINC000021662246 524324056 /nfs/dbraw/zinc/32/40/56/524324056.db2.gz LVZFRRKISRZMFQ-XZOQPEGZSA-N -1 3 499.633 3.312 50 0 JGAAHM COc1ccccc1CN1CCc2nc(SCC(=O)NCc3ccccc3)[n-]c(=O)c2C1 ZINC000033331796 524456625 /nfs/dbraw/zinc/45/66/25/524456625.db2.gz NALQSLOQZDSITG-UHFFFAOYSA-N -1 3 450.564 3.158 50 0 JGAAHM COc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc([O-])c(I)c1 ZINC000016448127 524585621 /nfs/dbraw/zinc/58/56/21/524585621.db2.gz LQMDJVJZZZEZFS-QGZVFWFLSA-N -1 3 495.342 3.437 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3CC(=O)N2CCCC2)cc1OC ZINC000033129698 524695526 /nfs/dbraw/zinc/69/55/26/524695526.db2.gz OWTMEPPQXLDBMX-UHFFFAOYSA-N -1 3 473.595 3.225 50 0 JGAAHM Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3ccccc3F)ccc2N2CCNCC2)c1 ZINC000033034408 524807892 /nfs/dbraw/zinc/80/78/92/524807892.db2.gz 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460.533 3.389 50 0 JGAAHM C[C@@H](c1nnc(SCC(=O)Nc2cc(Cl)ccc2[O-])n1C)N1C(=O)COc2ccccc21 ZINC000021723382 526186885 /nfs/dbraw/zinc/18/68/85/526186885.db2.gz PSKTVDAPYMBJGP-LBPRGKRZSA-N -1 3 473.942 3.392 50 0 JGAAHM COc1cccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3cccc(C)c3)ccc2N2CCNCC2)c1 ZINC000033034379 526244367 /nfs/dbraw/zinc/24/43/67/526244367.db2.gz UPVCUTBUSGKMOP-UHFFFAOYSA-N -1 3 494.617 3.144 50 0 JGAAHM O=C(CCN1C(=O)COc2ccccc21)Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000014198207 526478172 /nfs/dbraw/zinc/47/81/72/526478172.db2.gz GHUGINRJDRNVTF-UHFFFAOYSA-N -1 3 469.494 3.381 50 0 JGAAHM O=C([C@H]([N-]S(=O)(=O)c1cccs1)c1ccccc1)N1CCN(c2ccccc2F)CC1 ZINC000004787715 526519914 /nfs/dbraw/zinc/51/99/14/526519914.db2.gz CFZHRSUOCZJWAC-OAQYLSRUSA-N -1 3 459.568 3.256 50 0 JGAAHM O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000009378515 526581096 /nfs/dbraw/zinc/58/10/96/526581096.db2.gz OAVDIEOORJSPAK-OAQYLSRUSA-N -1 3 497.573 3.419 50 0 JGAAHM 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0 JGAAHM Cc1cc(C(=O)COC(=O)c2cccc([N-]S(C)(=O)=O)c2)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000022123405 555879533 /nfs/dbraw/zinc/87/95/33/555879533.db2.gz ZHKWSVLSECUXDH-HXUWFJFHSA-N -1 3 498.557 3.356 50 0 JGAAHM Cc1ccc(-n2c(=O)[n-]c(=O)c3c2NC(c2ccncc2)=NC3(C(F)(F)F)C(F)(F)F)cc1 ZINC000015304810 555894787 /nfs/dbraw/zinc/89/47/87/555894787.db2.gz SFNDDUXUZMJONF-UHFFFAOYSA-N -1 3 469.345 3.421 50 0 JGAAHM CC[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)C1=O ZINC000015497145 555911430 /nfs/dbraw/zinc/91/14/30/555911430.db2.gz HZEDUKRAJUVEHU-RUZDIDTESA-N -1 3 492.557 3.014 50 0 JGAAHM COc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCC(Cc4ccccc4)CC3)[n-]c(=O)c21 ZINC000012322008 555952071 /nfs/dbraw/zinc/95/20/71/555952071.db2.gz YJHNFGIILCLMIM-IBGZPJMESA-N -1 3 487.560 3.302 50 0 JGAAHM CC(=O)Nc1ccc(C(=O)CSc2nc3ccc(I)cc3c(=O)[n-]2)cc1 ZINC000012379609 555967912 /nfs/dbraw/zinc/96/79/12/555967912.db2.gz GQJVYAMZXSJVLR-UHFFFAOYSA-N -1 3 479.299 3.461 50 0 JGAAHM COc1cccc(NC(=O)C2CC(=O)Nc3nc(N4CCC(Cc5ccccc5)CC4)[n-]c(=O)c32)c1 ZINC000012391555 555974644 /nfs/dbraw/zinc/97/46/44/555974644.db2.gz CFNVTOWBNMLISU-NRFANRHFSA-N -1 3 487.560 3.302 50 0 JGAAHM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCCC(=O)N1CCN(C3CCCCC3)CC1)c2=O ZINC000012415902 555977506 /nfs/dbraw/zinc/97/75/06/555977506.db2.gz GTEKJDMADQBDTM-UHFFFAOYSA-N -1 3 472.611 3.103 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)CCN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)cc1 ZINC000012541795 556016534 /nfs/dbraw/zinc/01/65/34/556016534.db2.gz TVCVPPNRISLJTA-OYRHEFFESA-N -1 3 497.573 3.084 50 0 JGAAHM COc1ccc(Cc2nn3c(nnc3SCC(=O)Nc3c(C)cc(C)cc3C)[n-]c2=O)cc1 ZINC000015882088 556054744 /nfs/dbraw/zinc/05/47/44/556054744.db2.gz JHUVEPQKRSSOSE-UHFFFAOYSA-N -1 3 464.551 3.480 50 0 JGAAHM COc1ccc(S(=O)(=O)N2CCCCC2)cc1[N-]C(=O)c1cc2c(nc3ccccn3c2=O)s1 ZINC000012589795 556086303 /nfs/dbraw/zinc/08/63/03/556086303.db2.gz GLTSYTQYXPRSKA-UHFFFAOYSA-N -1 3 498.586 3.345 50 0 JGAAHM CCOc1ccc(NC(=O)CSc2n[n-]c(-c3cccs3)n2)cc1S(=O)(=O)N1CCCC1 ZINC000012590365 556086374 /nfs/dbraw/zinc/08/63/74/556086374.db2.gz ALDVVLGHTVTWKY-UHFFFAOYSA-N -1 3 493.636 3.447 50 0 JGAAHM COc1cc(Br)c(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1OC ZINC000012737542 556106139 /nfs/dbraw/zinc/10/61/39/556106139.db2.gz GLTCLHNFKXJCEA-UHFFFAOYSA-N -1 3 475.430 3.471 50 0 JGAAHM O=C([C@H]1COc2ccccc2O1)N1CCN(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)CC1 ZINC000023957255 556106628 /nfs/dbraw/zinc/10/66/28/556106628.db2.gz ZMRCRZFJEOSTCQ-OAQYLSRUSA-N -1 3 488.569 3.136 50 0 JGAAHM O=C(Nc1ccccc1[O-])C1CCN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000012907398 556126326 /nfs/dbraw/zinc/12/63/26/556126326.db2.gz RLIXVYJGHGKPGP-GOSISDBHSA-N -1 3 472.339 3.137 50 0 JGAAHM COc1ccc(NC(=O)N2CCN(Cc3nc(=O)c4c(-c5cccs5)csc4[n-]3)CC2)cn1 ZINC000024529131 556135281 /nfs/dbraw/zinc/13/52/81/556135281.db2.gz ODAIYVZSHDQUHG-UHFFFAOYSA-N -1 3 482.591 3.466 50 0 JGAAHM CN(C)C[C@@H](NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1)c1ccccc1 ZINC000024767782 556153102 /nfs/dbraw/zinc/15/31/02/556153102.db2.gz ZNDJYOBRPMVQSN-FGZHOGPDSA-N -1 3 493.633 3.142 50 0 JGAAHM CN(C)C[C@H](NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1)c1ccccc1 ZINC000024767773 556153166 /nfs/dbraw/zinc/15/31/66/556153166.db2.gz ZNDJYOBRPMVQSN-VXKWHMMOSA-N -1 3 493.633 3.142 50 0 JGAAHM Cc1ccc(-c2cc([N-]C(=O)CN3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)on2)cc1 ZINC000013014004 556205193 /nfs/dbraw/zinc/20/51/93/556205193.db2.gz KIBLNIGZOSQHBB-UHFFFAOYSA-N -1 3 480.999 3.310 50 0 JGAAHM CN(C)[C@@H](CNC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F)c1cccs1 ZINC000025385796 556211242 /nfs/dbraw/zinc/21/12/42/556211242.db2.gz GMDZWZUWFYRDOD-PMACEKPBSA-N -1 3 475.611 3.196 50 0 JGAAHM COc1ccc(CCNC(=O)Cc2sc(CC(=O)Nc3ccc(C)cc3)nc2[O-])cc1OC ZINC000013096475 556290870 /nfs/dbraw/zinc/29/08/70/556290870.db2.gz NZNLIPYDDPEKNY-HXUWFJFHSA-N -1 3 469.563 3.130 50 0 JGAAHM C[C@]1(CSc2ccccc2C(=O)O[C@@H](C(=O)N2CCCCC2)c2ccccc2)NC(=O)[N-]C1=O ZINC000028063863 556315364 /nfs/dbraw/zinc/31/53/64/556315364.db2.gz GASBJYSCVWHRIW-CJFMBICVSA-N -1 3 481.574 3.287 50 0 JGAAHM O=C(c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000013117454 556327579 /nfs/dbraw/zinc/32/75/79/556327579.db2.gz SLGXIUWGMFEUCD-UHFFFAOYSA-N -1 3 488.919 3.157 50 0 JGAAHM O=C(c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccco2)c1)N1CCN(Cc2ccccc2)CC1 ZINC000029674236 556354764 /nfs/dbraw/zinc/35/47/64/556354764.db2.gz SKNCCURVKUOHEK-UHFFFAOYSA-N -1 3 473.982 3.370 50 0 JGAAHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H](c1ccc(OC)cc1)N1CCOCC1 ZINC000013134176 556362113 /nfs/dbraw/zinc/36/21/13/556362113.db2.gz JXYHMRVQYYKWDQ-IBGZPJMESA-N -1 3 499.427 3.208 50 0 JGAAHM Cc1cccc(CS(=O)(=O)[N-]C[C@H](c2cccnc2)S(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC000019797373 556375474 /nfs/dbraw/zinc/37/54/74/556375474.db2.gz AZOACAZZCGTBRX-JOCHJYFZSA-N -1 3 462.568 3.472 50 0 JGAAHM CN(C)[C@@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)c1cccc(F)c1 ZINC000032216772 556433753 /nfs/dbraw/zinc/43/37/53/556433753.db2.gz USYGQFNWKNKSDK-QFIPXVFZSA-N -1 3 499.564 3.430 50 0 JGAAHM Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)OCC(=O)[N-]c2cc(C(C)(C)C)no2)cc1 ZINC000032739570 556479622 /nfs/dbraw/zinc/47/96/22/556479622.db2.gz KHKCUWZZBIHDQQ-KRWDZBQOSA-N -1 3 463.556 3.006 50 0 JGAAHM CCCN(CC(=O)Nc1ccc(I)cc1)Cc1nc2ccsc2c(=O)[n-]1 ZINC000032873646 556518824 /nfs/dbraw/zinc/51/88/24/556518824.db2.gz QEEJZUXANIFRME-UHFFFAOYSA-N -1 3 482.347 3.440 50 0 JGAAHM Cc1ccc(S(=O)(=O)[N-]N=c2ccc(S(=O)(=O)N(C(C)C)C(C)C)c[nH]2)c(Cl)c1 ZINC000032901256 556528796 /nfs/dbraw/zinc/52/87/96/556528796.db2.gz WZTFDMKHKCAZDM-UHFFFAOYSA-N -1 3 461.009 3.156 50 0 JGAAHM CCOc1ccc(N(C)S(=O)(=O)c2ccc3ncc(C(=O)N[C@@H](C)CC)c([O-])c3c2)cc1 ZINC000006296657 569589105 /nfs/dbraw/zinc/58/91/05/569589105.db2.gz GNPBKGFFRZBYHZ-HNNXBMFYSA-N -1 3 457.552 3.280 50 0 JGAAHM COc1ccc(-c2c(C)oc3cc(OC[C@@H](O)CN4CCC(C(=O)[O-])CC4)ccc3c2=O)cc1 ZINC000008718253 569597052 /nfs/dbraw/zinc/59/70/52/569597052.db2.gz DVKJBJZBRYOXLO-IBGZPJMESA-N -1 3 467.518 3.313 50 0 JGAAHM COC(=O)c1sc2nc(CN3CCCC[C@@H]3C(=O)OC)ccc2c1[N-]C(=O)c1ccco1 ZINC000064007135 569616029 /nfs/dbraw/zinc/61/60/29/569616029.db2.gz OTSVFYUYJQSYJS-OAHLLOKOSA-N -1 3 457.508 3.456 50 0 JGAAHM Cc1nc(Nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc2)cc(N2CCOCC2)n1 ZINC000033014185 569617980 /nfs/dbraw/zinc/61/79/80/569617980.db2.gz DGPOMNIABQYOGX-UHFFFAOYSA-N -1 3 461.494 3.444 50 0 JGAAHM O=C(CCC(=O)N1CCCCC1)N1CCc2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc21 ZINC000064846397 569638560 /nfs/dbraw/zinc/63/85/60/569638560.db2.gz RISPOGCJBICZRA-UHFFFAOYSA-N -1 3 459.543 3.308 50 0 JGAAHM CCCNC(=O)c1cc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cnc1N1CCNCC1 ZINC000065025201 569650231 /nfs/dbraw/zinc/65/02/31/569650231.db2.gz GWMHBYZIHMIISU-UHFFFAOYSA-N -1 3 485.654 3.480 50 0 JGAAHM CC[C@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cnc1N1CCNCC1 ZINC000065025275 569650545 /nfs/dbraw/zinc/65/05/45/569650545.db2.gz KPIFPMZUOMTHKU-KRWDZBQOSA-N -1 3 473.643 3.118 50 0 JGAAHM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(F)cc3F)c(C)n2C)sc1C(=O)N1CCOCC1 ZINC000065036061 569652972 /nfs/dbraw/zinc/65/29/72/569652972.db2.gz SZAICPJUXFRIOA-UHFFFAOYSA-N -1 3 496.561 3.317 50 0 JGAAHM COc1cc([C@@H]2[C@H](S(=O)(=O)[N-]Cc3ccccn3)CON2C)ccc1OCc1ccccc1 ZINC000034738928 569654652 /nfs/dbraw/zinc/65/46/52/569654652.db2.gz VBJWRZFOXMDIPD-DNQXCXABSA-N -1 3 469.563 3.076 50 0 JGAAHM CCOc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)ccc2C)cc1 ZINC000065318830 569673083 /nfs/dbraw/zinc/67/30/83/569673083.db2.gz DLMSVAMXMNPTOZ-UHFFFAOYSA-N -1 3 456.524 3.481 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)N2CCCCC2)cc1 ZINC000035398911 569689298 /nfs/dbraw/zinc/68/92/98/569689298.db2.gz XSSFNIBLSPEARS-UHFFFAOYSA-N -1 3 471.579 3.178 50 0 JGAAHM Cc1ccccc1C(=O)Nc1ccc(N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1C(=O)[O-] ZINC000035422633 569692785 /nfs/dbraw/zinc/69/27/85/569692785.db2.gz MDKXDUJCLVQSHG-UHFFFAOYSA-N -1 3 464.566 3.256 50 0 JGAAHM CC(=O)[N-]C12O[C@H](C(Cl)(Cl)Cl)CC1(OC(C)=O)C[C@@H](C(Cl)(Cl)Cl)O2 ZINC000071767335 569697359 /nfs/dbraw/zinc/69/73/59/569697359.db2.gz GSATYCWIVLEIEJ-WBPGALJLSA-N -1 3 463.956 3.396 50 0 JGAAHM COc1ccc(S(=O)(=O)[N-]c2cccc([C@H]3NC(=O)N(C)C(C)=C3C(=O)OC(C)C)c2)cc1 ZINC000035707686 569707575 /nfs/dbraw/zinc/70/75/75/569707575.db2.gz ADRCJNIJCDLMCK-OAQYLSRUSA-N -1 3 473.551 3.418 50 0 JGAAHM Cc1ccc([N-]S(=O)(=O)c2c[nH]c(-c3nnc(C(=O)N4CCCC4)o3)c2)c(Br)c1 ZINC000085808772 569715500 /nfs/dbraw/zinc/71/55/00/569715500.db2.gz DXAPFDOVXKDTLT-UHFFFAOYSA-N -1 3 480.344 3.172 50 0 JGAAHM O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc(CN3CCCCC3)cc(=O)[n-]2)CC1 ZINC000035925303 569728735 /nfs/dbraw/zinc/72/87/35/569728735.db2.gz HVGXBOZMJSOUIO-UHFFFAOYSA-N -1 3 450.370 3.025 50 0 JGAAHM COC(=O)c1sccc1S(=O)(=O)[N-]CCNc1nc(-c2ccco2)nc2ccccc21 ZINC000095841793 569728923 /nfs/dbraw/zinc/72/89/23/569728923.db2.gz HIYIVIZFHMIEDH-UHFFFAOYSA-N -1 3 458.521 3.128 50 0 JGAAHM CN(Cc1ccccc1)Cc1cc(=O)[n-]c(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1 ZINC000035926499 569729905 /nfs/dbraw/zinc/72/99/05/569729905.db2.gz OZFUUTFENDELQL-UHFFFAOYSA-N -1 3 451.958 3.018 50 0 JGAAHM CCCOc1ccc(C([O-])=C2[C@@H](c3ccc(C(=O)OC)cc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000035980664 569742430 /nfs/dbraw/zinc/74/24/30/569742430.db2.gz BUIIKNLRUVDFSL-NJNPRVFISA-N -1 3 480.439 3.366 50 0 JGAAHM COc1ccccc1N1C(=O)[C@H]2C(=C1[O-])N(C(=O)c1ccc(C)cc1)N[C@H]2c1ccc(F)cc1 ZINC000100807367 569770462 /nfs/dbraw/zinc/77/04/62/569770462.db2.gz YRNNIFRCYLSLLR-XPWALMASSA-N -1 3 459.477 3.403 50 0 JGAAHM COC(=O)c1[n-]n(-c2ccccc2Cl)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000100950663 569777740 /nfs/dbraw/zinc/77/77/40/569777740.db2.gz YCXGMQQBYLLMRS-ZBFHGGJFSA-N -1 3 462.687 3.010 50 0 JGAAHM O=C(Nc1ccccc1[O-])C1CCN([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000101490833 569799677 /nfs/dbraw/zinc/79/96/77/569799677.db2.gz VOMRPTLUVLJKCO-SFHVURJKSA-N -1 3 461.440 3.394 50 0 JGAAHM O=C(Nc1ccccc1[O-])C1CCN([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000101490817 569799696 /nfs/dbraw/zinc/79/96/96/569799696.db2.gz RLIXVYJGHGKPGP-SFHVURJKSA-N -1 3 472.339 3.137 50 0 JGAAHM Cc1nc(N2CCC(C)CC2)ncc1-c1cc(=O)[n-]c(N2CCN(Cc3ccccc3)CC2)n1 ZINC000039383735 569809632 /nfs/dbraw/zinc/80/96/32/569809632.db2.gz APAZCSREMHPQKR-UHFFFAOYSA-N -1 3 459.598 3.094 50 0 JGAAHM COc1ccc(-c2[n-]n(-c3ccccc3)c3c(O)n(-c4ccc(OC(C)=O)cc4)c(=O)c2-3)cc1 ZINC000103519366 569835756 /nfs/dbraw/zinc/83/57/56/569835756.db2.gz UYUXISBWODJUMD-UPVQGACJSA-N -1 3 455.470 3.403 50 0 JGAAHM COc1ccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccccc4F)[n-]c(=O)c32)c(OC)c1 ZINC000046075341 569844096 /nfs/dbraw/zinc/84/40/96/569844096.db2.gz MKRXCSULPCFFHN-AWEZNQCLSA-N -1 3 484.509 3.283 50 0 JGAAHM CCOc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000051316450 569850454 /nfs/dbraw/zinc/85/04/54/569850454.db2.gz YWIIVISBCWMOPN-UHFFFAOYSA-N -1 3 451.508 3.247 50 0 JGAAHM CCOc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000051316450 569850456 /nfs/dbraw/zinc/85/04/56/569850456.db2.gz YWIIVISBCWMOPN-UHFFFAOYSA-N -1 3 451.508 3.247 50 0 JGAAHM CCOc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)Nc2cccc(OC)c2)cc1 ZINC000051316448 569850472 /nfs/dbraw/zinc/85/04/72/569850472.db2.gz QPCZPIJIPBLWFV-UHFFFAOYSA-N -1 3 451.508 3.247 50 0 JGAAHM CCOc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)Nc2cccc(OC)c2)cc1 ZINC000051316448 569850474 /nfs/dbraw/zinc/85/04/74/569850474.db2.gz QPCZPIJIPBLWFV-UHFFFAOYSA-N -1 3 451.508 3.247 50 0 JGAAHM CCOc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)N2CCc3ccccc3C2)cc1 ZINC000051316477 569850622 /nfs/dbraw/zinc/85/06/22/569850622.db2.gz JQKLJKIVDSQBTF-UHFFFAOYSA-N -1 3 461.547 3.185 50 0 JGAAHM CCOc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)N2CCc3ccccc3C2)cc1 ZINC000051316477 569850624 /nfs/dbraw/zinc/85/06/24/569850624.db2.gz JQKLJKIVDSQBTF-UHFFFAOYSA-N -1 3 461.547 3.185 50 0 JGAAHM COc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)NCc2ccccc2OC)cc1Cl ZINC000051316626 569851030 /nfs/dbraw/zinc/85/10/30/569851030.db2.gz CFUAMQZRKCPRIE-UHFFFAOYSA-N -1 3 485.953 3.188 50 0 JGAAHM COc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)NCc2ccccc2OC)cc1Cl ZINC000051316626 569851031 /nfs/dbraw/zinc/85/10/31/569851031.db2.gz CFUAMQZRKCPRIE-UHFFFAOYSA-N -1 3 485.953 3.188 50 0 JGAAHM COC(=O)c1ccccc1NC(=O)CSc1nc2[n-]ncc2c(=O)n1-c1ccc(OC)c(Cl)c1 ZINC000051316590 569851110 /nfs/dbraw/zinc/85/11/10/569851110.db2.gz LNHJQKRGZYKYAX-UHFFFAOYSA-N -1 3 499.936 3.288 50 0 JGAAHM COC(=O)c1ccccc1NC(=O)CSc1nc2n[n-]cc2c(=O)n1-c1ccc(OC)c(Cl)c1 ZINC000051316590 569851111 /nfs/dbraw/zinc/85/11/11/569851111.db2.gz LNHJQKRGZYKYAX-UHFFFAOYSA-N -1 3 499.936 3.288 50 0 JGAAHM COc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)NCc2ccc(C)cc2)cc1Cl ZINC000051316624 569851134 /nfs/dbraw/zinc/85/11/34/569851134.db2.gz UHAJPLJNXIAJFY-UHFFFAOYSA-N -1 3 469.954 3.488 50 0 JGAAHM COc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)NCc2ccc(C)cc2)cc1Cl ZINC000051316624 569851136 /nfs/dbraw/zinc/85/11/36/569851136.db2.gz UHAJPLJNXIAJFY-UHFFFAOYSA-N -1 3 469.954 3.488 50 0 JGAAHM C[C@@H]1CCCC[C@H]1NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000245276269 570061090 /nfs/dbraw/zinc/06/10/90/570061090.db2.gz RNYOKMWPIJIOSA-SUMDDJOVSA-N -1 3 458.609 3.276 50 0 JGAAHM CCOc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCC(C(=O)OC)CC2)cc1OC ZINC000022626357 126343964 /nfs/dbraw/zinc/34/39/64/126343964.db2.gz BDGXYTKHCGHRES-GOSISDBHSA-N -1 3 460.556 3.187 50 0 JGAAHM CC1(C)CC(=O)c2cc(C(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)c(=O)n(-c3ccccc3)c2C1 ZINC000001151091 194050637 /nfs/dbraw/zinc/05/06/37/194050637.db2.gz RWMBSQLKGMJBSU-UHFFFAOYSA-N -1 3 455.470 3.129 50 0 JGAAHM Cc1sc2nc(COC(=O)CC[N-]S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c(=O)c2c1C ZINC000003329474 194284669 /nfs/dbraw/zinc/28/46/69/194284669.db2.gz ISDWTDJSCOKKTP-UHFFFAOYSA-N -1 3 489.497 3.032 50 0 JGAAHM CN(C)S(=O)(=O)c1cccc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)[n-]2)c1 ZINC000003347339 194293889 /nfs/dbraw/zinc/29/38/89/194293889.db2.gz DIQPUPNRZHJKNJ-UHFFFAOYSA-N -1 3 451.961 3.253 50 0 JGAAHM CN(C)S(=O)(=O)c1cccc(C(=O)Nc2nc(SCc3ccc(Cl)cc3)n[n-]2)c1 ZINC000003347339 194293891 /nfs/dbraw/zinc/29/38/91/194293891.db2.gz DIQPUPNRZHJKNJ-UHFFFAOYSA-N -1 3 451.961 3.253 50 0 JGAAHM CN(C)S(=O)(=O)c1cccc(C(=O)Nc2n[n-]c(SCc3ccc(Cl)cc3)n2)c1 ZINC000003347339 194293894 /nfs/dbraw/zinc/29/38/94/194293894.db2.gz DIQPUPNRZHJKNJ-UHFFFAOYSA-N -1 3 451.961 3.253 50 0 JGAAHM C[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)CSc2ncc(C(F)(F)F)cc2Cl)C1=O ZINC000003353482 194296961 /nfs/dbraw/zinc/29/69/61/194296961.db2.gz LGFSBPMCTXSIRV-KRWDZBQOSA-N -1 3 458.849 3.344 50 0 JGAAHM O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1)NCc1ccc(F)cc1 ZINC000003481871 194332090 /nfs/dbraw/zinc/33/20/90/194332090.db2.gz FTHRFVFDTKQFGF-UHFFFAOYSA-N -1 3 490.940 3.431 50 0 JGAAHM COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccccc2F)cc1OC ZINC000003503763 194333823 /nfs/dbraw/zinc/33/38/23/194333823.db2.gz DLTCKHZGEMPPFB-HXUWFJFHSA-N -1 3 472.538 3.049 50 0 JGAAHM CCOC(=O)N1CCC(NC(=O)C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2)c2ccco2)CC1 ZINC000004078452 194375498 /nfs/dbraw/zinc/37/54/98/194375498.db2.gz UTMGHDASRPQDRX-GOSISDBHSA-N -1 3 483.974 3.080 50 0 JGAAHM C[C@@]1(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-][C@@H]3CCCc4ccccc43)c2)CCS(=O)(=O)C1 ZINC000009125776 194550740 /nfs/dbraw/zinc/55/07/40/194550740.db2.gz AYJGAOGBAONQMS-DENIHFKCSA-N -1 3 497.038 3.003 50 0 JGAAHM CCOc1ccc(CN2c3ccc(Cl)cc3[C@@]3(SC([N-]C(C)=O)=NN3C(C)=O)C2=O)cc1 ZINC000009871970 195006539 /nfs/dbraw/zinc/00/65/39/195006539.db2.gz BIFSZXUNZYFOMZ-JOCHJYFZSA-N -1 3 472.954 3.441 50 0 JGAAHM CCOc1ccccc1CN1c2ccc(C)cc2[C@@]2(SC([N-]C(C)=O)=NN2C(C)=O)C1=O ZINC000009872055 195006570 /nfs/dbraw/zinc/00/65/70/195006570.db2.gz TVGJRVYQGFQJNG-HSZRJFAPSA-N -1 3 452.536 3.096 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1cc(C)cc(C)c1N(CCCOc1ccccc1)C2=O ZINC000009872167 195006726 /nfs/dbraw/zinc/00/67/26/195006726.db2.gz MNRYUASEUBHCAE-XMMPIXPASA-N -1 3 466.563 3.274 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1cc(C)cc(C)c1N(CCCOc1ccccc1)C2=O ZINC000009872173 195006822 /nfs/dbraw/zinc/00/68/22/195006822.db2.gz MNRYUASEUBHCAE-DEOSSOPVSA-N -1 3 466.563 3.274 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1cccc(Cl)c1N(CCOc1ccccc1C)C2=O ZINC000009872333 195006920 /nfs/dbraw/zinc/00/69/20/195006920.db2.gz JCLSOGHJWCWBJP-QFIPXVFZSA-N -1 3 472.954 3.229 50 0 JGAAHM CCOc1ccc(CN2C(=O)[C@@]3(SC([N-]C(C)=O)=NN3C(C)=O)c3cccc(Cl)c32)cc1 ZINC000009872448 195007056 /nfs/dbraw/zinc/00/70/56/195007056.db2.gz GLZBSYVZEAXEPD-QFIPXVFZSA-N -1 3 472.954 3.441 50 0 JGAAHM O=C(Nc1ccc(N2CCOCC2)cc1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F ZINC000009877173 195008870 /nfs/dbraw/zinc/00/88/70/195008870.db2.gz MODWQNSVIRTNMR-QHCPKHFHSA-N -1 3 483.565 3.191 50 0 JGAAHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCCN3C[C@@H](C)O[C@@H](C)C3)c2)cc1 ZINC000012605845 195051207 /nfs/dbraw/zinc/05/12/07/195051207.db2.gz HBEKWBVPBKWICT-KDURUIRLSA-N -1 3 475.611 3.115 50 0 JGAAHM COc1ccc(-c2nnc(SCCC(=O)[N-]C(=O)c3ccc(C(C)(C)C)cc3)n2N)c(OC)c1 ZINC000012787050 195128966 /nfs/dbraw/zinc/12/89/66/195128966.db2.gz CPZVLVMWZJCTRP-UHFFFAOYSA-N -1 3 483.594 3.412 50 0 JGAAHM Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccccc1SC[C@]1(C)NC(=O)[N-]C1=O ZINC000012803091 195140382 /nfs/dbraw/zinc/14/03/82/195140382.db2.gz FQFOYDLQVYAYIG-DEOSSOPVSA-N -1 3 463.563 3.109 50 0 JGAAHM CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nc(C3CC3)nc3c2c(=O)[n-]c(=O)n3C2CC2)cc1 ZINC000012896390 195175350 /nfs/dbraw/zinc/17/53/50/195175350.db2.gz FBBFHRXGQUYTTA-LLVKDONJSA-N -1 3 465.535 3.014 50 0 JGAAHM O=C(N[C@H]1CCOc2ccccc21)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1 ZINC000012896614 195175603 /nfs/dbraw/zinc/17/56/03/195175603.db2.gz MVHVGMDYQLEIIP-QAPCUYQASA-N -1 3 450.944 3.051 50 0 JGAAHM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(CC(=O)OC)C(=O)CS3)c(C)c1 ZINC000020935704 195252817 /nfs/dbraw/zinc/25/28/17/195252817.db2.gz DSBLFGRQFDVOAI-UHFFFAOYSA-N -1 3 477.608 3.254 50 0 JGAAHM O=S(=O)([N-]CCN1CCN(c2ccccc2)CC1)c1ccc(Br)cc1Cl ZINC000057628641 195353952 /nfs/dbraw/zinc/35/39/52/195353952.db2.gz DXMOZDDLUOGYKE-UHFFFAOYSA-N -1 3 458.809 3.203 50 0 JGAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCc3cccc(C(N)=O)c3)c2)cc1 ZINC000058264319 195375268 /nfs/dbraw/zinc/37/52/68/195375268.db2.gz DGRFRCVGTKMUNM-UHFFFAOYSA-N -1 3 451.548 3.176 50 0 JGAAHM C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000021724305 195320374 /nfs/dbraw/zinc/32/03/74/195320374.db2.gz UEWZLOUPZXQLEO-BDJLRTHQSA-N -1 3 463.383 3.286 50 0 JGAAHM CCOC[C@@H](O)CN(Cc1ccccc1)Cc1nc(=O)c2c(C)c(C(=O)OC(C)C)sc2[n-]1 ZINC000036206837 520094859 /nfs/dbraw/zinc/09/48/59/520094859.db2.gz OXSMCUQMLZYHSY-SFHVURJKSA-N -1 3 473.595 3.258 50 0 JGAAHM CCCCN(C)C(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc(CC)cc2)c1 ZINC000033033465 520394170 /nfs/dbraw/zinc/39/41/70/520394170.db2.gz GHZZQRVCYQJVKC-UHFFFAOYSA-N -1 3 458.628 3.332 50 0 JGAAHM CCCS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2nc(C)c(C(=O)OCC(C)C)s2)n1 ZINC000016753779 520547893 /nfs/dbraw/zinc/54/78/93/520547893.db2.gz CRNVQNHVBDEGIX-UHFFFAOYSA-N -1 3 460.965 3.144 50 0 JGAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)NCCc4ccccn4)c3c2)cc1 ZINC000021773562 521134495 /nfs/dbraw/zinc/13/44/95/521134495.db2.gz ABAWLNBREITHKA-UHFFFAOYSA-N -1 3 492.557 3.095 50 0 JGAAHM CCN1CCN(c2cc(C(=O)[O-])c3cc(NS(=O)(=O)c4ccc(C)cc4C)ccc3n2)CC1 ZINC000033256363 521696698 /nfs/dbraw/zinc/69/66/98/521696698.db2.gz UTPYDUJRVQPUNS-UHFFFAOYSA-N -1 3 468.579 3.493 50 0 JGAAHM COc1cc(/C=c2\sc3nc4cc(Br)cnc4n3c2=O)cc(Br)c1[O-] ZINC000016676111 522013965 /nfs/dbraw/zinc/01/39/65/522013965.db2.gz RXICIOSWZISKRV-QCDXTXTGSA-N -1 3 483.141 3.091 50 0 JGAAHM COc1cc(NC(=O)CSc2nc3c(nc[n-]c3=O)n2-c2ccc(C)cc2)cc(OC)c1 ZINC000012462113 522666855 /nfs/dbraw/zinc/66/68/55/522666855.db2.gz JBEQPRMGNLTLQT-UHFFFAOYSA-N -1 3 451.508 3.165 50 0 biogenic,in-vitro JGAAHM COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc3c(c2)OCO3)cc(Br)c1[O-] ZINC000004113664 522928561 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ZINC000020285180 555754478 /nfs/dbraw/zinc/75/44/78/555754478.db2.gz DHHSYAOBAOQSCQ-HSZRJFAPSA-N -1 3 455.580 3.382 50 0 JGAAHM CCC(NC1CCN(Cc2ccccc2)CC1)=C1C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O ZINC000020327803 555773910 /nfs/dbraw/zinc/77/39/10/555773910.db2.gz SPRGEJUIIHZEQY-GHVJWSGMSA-N -1 3 462.550 3.196 50 0 JGAAHM Cc1ccc(OCC(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c(Br)c1 ZINC000011451439 555781460 /nfs/dbraw/zinc/78/14/60/555781460.db2.gz XGBYTHFWTACAMB-UHFFFAOYSA-N -1 3 473.414 3.167 50 0 JGAAHM COc1ccc(Br)cc1S(=O)(=O)[N-]c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000011615519 555791656 /nfs/dbraw/zinc/79/16/56/555791656.db2.gz XMNCYKXBTNWESD-UHFFFAOYSA-N -1 3 452.330 3.056 50 0 JGAAHM COc1ccc(NC(=O)[C@@H](C)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1Cl ZINC000011719986 555805553 /nfs/dbraw/zinc/80/55/53/555805553.db2.gz VWBQFGHAWJBIKO-CYBMUJFWSA-N -1 3 458.005 3.180 50 0 JGAAHM COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000020574796 555829441 /nfs/dbraw/zinc/82/94/41/555829441.db2.gz RTDVJJCJYDHATD-UHFFFAOYSA-N -1 3 475.885 3.480 50 0 JGAAHM Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000011858150 555837403 /nfs/dbraw/zinc/83/74/03/555837403.db2.gz OXKJLKGQZOVQON-UHFFFAOYSA-N -1 3 462.471 3.190 50 0 JGAAHM O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000011904529 555852662 /nfs/dbraw/zinc/85/26/62/555852662.db2.gz RAFGWTSYYPOQPI-UHFFFAOYSA-N -1 3 468.862 3.226 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2c(C)cc(N3CCCCS3(=O)=O)cc2C)cc1OC ZINC000011906618 555854527 /nfs/dbraw/zinc/85/45/27/555854527.db2.gz KIUIRJKHQUOTTQ-UHFFFAOYSA-N -1 3 454.570 3.051 50 0 JGAAHM CC(=O)NCc1ccc(-c2csc(NC(=O)[C@H]([N-]S(=O)(=O)c3cccs3)C(C)C)n2)o1 ZINC000022067543 555869284 /nfs/dbraw/zinc/86/92/84/555869284.db2.gz YQKHXVREQITCKH-QGZVFWFLSA-N -1 3 482.609 3.042 50 0 JGAAHM CS(=O)(=O)[N-]c1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000015082417 555873596 /nfs/dbraw/zinc/87/35/96/555873596.db2.gz UYZXMBMAZAKWMW-DEOSSOPVSA-N -1 3 468.506 3.205 50 0 JGAAHM Cc1cc(C(=O)COC(=O)c2cccc([N-]S(C)(=O)=O)c2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000022123410 555879391 /nfs/dbraw/zinc/87/93/91/555879391.db2.gz ZHKWSVLSECUXDH-FQEVSTJZSA-N -1 3 498.557 3.356 50 0 JGAAHM Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1 ZINC000011998399 555881149 /nfs/dbraw/zinc/88/11/49/555881149.db2.gz XEGZBQNSSCXGBB-UHFFFAOYSA-N -1 3 463.364 3.478 50 0 JGAAHM COc1cc(S(=O)(=O)[N-]c2ccccc2F)cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1OC ZINC000015541971 555914172 /nfs/dbraw/zinc/91/41/72/555914172.db2.gz BPCYNVUEZKCQHZ-UHFFFAOYSA-N -1 3 486.481 3.066 50 0 JGAAHM O=C([O-])[C@@H](C/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1)C1=CN[C@H]2C=CC=C[C@H]12 ZINC000015636405 555921023 /nfs/dbraw/zinc/92/10/23/555921023.db2.gz ARAKJECAGBYGJV-JCMIMATNSA-N -1 3 458.474 3.418 50 0 JGAAHM Cc1ccc(Cn2nnc3c2nc([C@H]2CCCN(C(=O)COc4ccccc4)C2)[n-]c3=O)cc1 ZINC000015669713 555924154 /nfs/dbraw/zinc/92/41/54/555924154.db2.gz IYCFVNYCQIRLJD-IBGZPJMESA-N -1 3 458.522 3.069 50 0 JGAAHM CN(C[C@H](O)c1ccccc1)C(=O)c1cc([N-]S(C)(=O)=O)cc2ncn(CCc3ccccc3)c21 ZINC000012163492 555931921 /nfs/dbraw/zinc/93/19/21/555931921.db2.gz DTWAWLANFUZJMB-DEOSSOPVSA-N -1 3 492.601 3.456 50 0 JGAAHM O=S(=O)([N-]C[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1)c1cccs1 ZINC000022851710 555958576 /nfs/dbraw/zinc/95/85/76/555958576.db2.gz WFJUCKYMZKQEPC-HXUWFJFHSA-N -1 3 489.594 3.458 50 0 JGAAHM CCOC(=O)[C@H]1CCCN([C@H](c2sc3nc(CC)nn3c2[O-])c2ccc(OC)c(OC)c2)C1 ZINC000022853437 555960246 /nfs/dbraw/zinc/96/02/46/555960246.db2.gz SSNCNQFMGATLDT-KXBFYZLASA-N -1 3 474.583 3.441 50 0 JGAAHM C[C@H](OC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000012548620 556027310 /nfs/dbraw/zinc/02/73/10/556027310.db2.gz QHRQQEDRRLQHLX-ZDUSSCGKSA-N -1 3 464.927 3.267 50 0 JGAAHM Cc1nc(SCc2ccccc2)[n-]c(=O)c1CCC(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000023185244 556029450 /nfs/dbraw/zinc/02/94/50/556029450.db2.gz RCPSJZCJOQXNMN-HDICACEKSA-N -1 3 472.655 3.307 50 0 JGAAHM O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000023538160 556077140 /nfs/dbraw/zinc/07/71/40/556077140.db2.gz KOSJZJAAWUFKOU-UHFFFAOYSA-N -1 3 457.596 3.252 50 0 JGAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Cn3c(=O)cnc4ccccc43)cc2)cc1C ZINC000023787689 556088296 /nfs/dbraw/zinc/08/82/96/556088296.db2.gz WQBMTFXYJPAERN-UHFFFAOYSA-N -1 3 462.531 3.453 50 0 JGAAHM O=S(=O)([N-]Cc1ccccc1CN1CCOCC1)c1ccc(Br)cc1Cl ZINC000012785188 556112634 /nfs/dbraw/zinc/11/26/34/556112634.db2.gz CSUVXHCLAMIUKN-UHFFFAOYSA-N -1 3 459.793 3.413 50 0 JGAAHM Cc1csc(CC(=O)N2CCN(Cc3nc(=O)c4c(-c5ccccc5)csc4[n-]3)CC2)n1 ZINC000023990125 556114463 /nfs/dbraw/zinc/11/44/63/556114463.db2.gz MBPHMTADCNJXBE-UHFFFAOYSA-N -1 3 465.604 3.303 50 0 JGAAHM CCN(C(=O)[C@H](C)OC(=O)c1ccccc1SC[C@@]1(C)NC(=O)[N-]C1=O)C1CCCCC1 ZINC000024164028 556124862 /nfs/dbraw/zinc/12/48/62/556124862.db2.gz KPGCQRRUIDLWAH-NPMXOYFQSA-N -1 3 461.584 3.103 50 0 JGAAHM Cc1nn(-c2ccc(Cl)cc2)c2[n-]c(CN3CCN(C(=O)c4ccco4)CC3)cc(=O)c12 ZINC000024600964 556137709 /nfs/dbraw/zinc/13/77/09/556137709.db2.gz DTGZSJKOFLQLEO-UHFFFAOYSA-N -1 3 451.914 3.227 50 0 JGAAHM CC(C)CN(Cn1nc(-c2ccccc2Br)[n-]c1=S)[C@H]1CCS(=O)(=O)C1 ZINC000012924272 556142772 /nfs/dbraw/zinc/14/27/72/556142772.db2.gz VXSIARQXORLFIK-ZDUSSCGKSA-N -1 3 459.435 3.473 50 0 JGAAHM O=C(CN1CCC(C(=O)Nc2ccccc2[O-])CC1)NCc1ccccc1OC(F)(F)F ZINC000012928674 556146483 /nfs/dbraw/zinc/14/64/83/556146483.db2.gz PHZGUJVKQXGLIU-UHFFFAOYSA-N -1 3 451.445 3.258 50 0 JGAAHM O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000012931961 556148441 /nfs/dbraw/zinc/14/84/41/556148441.db2.gz DELVLRRGVIFLAI-MRXNPFEDSA-N -1 3 486.040 3.174 50 0 JGAAHM Cc1cc(C)c2c(n1)nc(S[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C)[n-]c2=O ZINC000024754750 556150001 /nfs/dbraw/zinc/15/00/01/556150001.db2.gz XVFIRUSCUBPQNT-AWEZNQCLSA-N -1 3 475.596 3.025 50 0 JGAAHM Cc1nc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCCC2)sc1-c1nccn1C ZINC000025143834 556182873 /nfs/dbraw/zinc/18/28/73/556182873.db2.gz OBKKKCMLONBESG-UHFFFAOYSA-N -1 3 451.599 3.340 50 0 JGAAHM COc1cccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCc2c(F)cccc2Cl)c1 ZINC000016960670 556191545 /nfs/dbraw/zinc/19/15/45/556191545.db2.gz AWEMTCNUPARTKF-UHFFFAOYSA-N -1 3 473.917 3.328 50 0 JGAAHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCN(C)CC4)nn3)cc2)cc1C ZINC000017010377 556200153 /nfs/dbraw/zinc/20/01/53/556200153.db2.gz KSGUXCSRKYLHHC-UHFFFAOYSA-N -1 3 467.595 3.322 50 0 JGAAHM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCCN1CCN(c3cccc(C)c3)[C@@H](C)C1)c2=O ZINC000017123116 556219937 /nfs/dbraw/zinc/21/99/37/556219937.db2.gz IAUBXSVMQLNOBF-SFHVURJKSA-N -1 3 466.607 3.381 50 0 JGAAHM C[C@@H](Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000025688467 556229825 /nfs/dbraw/zinc/22/98/25/556229825.db2.gz GEAHJVIBZRSTNF-OAHLLOKOSA-N -1 3 468.510 3.412 50 0 JGAAHM O=C(CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)N1CCc2ccccc2C1 ZINC000026428878 556253506 /nfs/dbraw/zinc/25/35/06/556253506.db2.gz DKRQOAWWZKIPGZ-UHFFFAOYSA-N -1 3 451.939 3.439 50 0 JGAAHM O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(Cn2nc(-c3ccccc3)[n-]c2=S)CC1 ZINC000013071721 556270181 /nfs/dbraw/zinc/27/01/81/556270181.db2.gz MGEQZNHXSJJIJE-UHFFFAOYSA-N -1 3 469.636 3.450 50 0 JGAAHM O=C1C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@H]3C2=C([O-])N1c1ccc(F)cc1 ZINC000017967458 556273275 /nfs/dbraw/zinc/27/32/75/556273275.db2.gz BRBRZCNNNUKVTD-NEWJYFPISA-N -1 3 479.471 3.301 50 0 JGAAHM COc1ccc(-c2nnc(COC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]C4CC4)c3)o2)cc1 ZINC000018339921 556319916 /nfs/dbraw/zinc/31/99/16/556319916.db2.gz QZOXFMOGGZSLFT-UHFFFAOYSA-N -1 3 463.899 3.196 50 0 JGAAHM CCCn1c(=O)[n-]nc1SCC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC000018523980 556322162 /nfs/dbraw/zinc/32/21/62/556322162.db2.gz VVCPWOMOSACRTC-UHFFFAOYSA-N -1 3 467.617 3.078 50 0 JGAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(=O)NCCc1ccc(Cl)cc1 ZINC000019077494 556328989 /nfs/dbraw/zinc/32/89/89/556328989.db2.gz DRIXGVIMMRDROB-KRWDZBQOSA-N -1 3 452.989 3.007 50 0 JGAAHM Cc1ccc(NC(=O)c2cccc(OCC(N)=O)c2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000030605862 556368633 /nfs/dbraw/zinc/36/86/33/556368633.db2.gz VVTPLXDHXCZAMK-UHFFFAOYSA-N -1 3 457.483 3.051 50 0 JGAAHM C[C@@H](OC(=O)Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000032035271 556412905 /nfs/dbraw/zinc/41/29/05/556412905.db2.gz KJBNAXRZVPOEMD-CYBMUJFWSA-N -1 3 467.927 3.230 50 0 JGAAHM O=C(COc1ccccc1)N1CCN(Cc2nc(=O)c3c(-c4cccs4)csc3[n-]2)CC1 ZINC000032736215 556477627 /nfs/dbraw/zinc/47/76/27/556477627.db2.gz PPCLRGGDKQVKQF-UHFFFAOYSA-N -1 3 466.588 3.436 50 0 JGAAHM O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)NCCc1ccc(OC(F)F)cc1 ZINC000032745189 556482815 /nfs/dbraw/zinc/48/28/15/556482815.db2.gz ULWWPLXRNVPKLT-UHFFFAOYSA-N -1 3 471.489 3.161 50 0 JGAAHM O=C(CSc1nnc(-c2ccco2)[n-]1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000032873563 556518859 /nfs/dbraw/zinc/51/88/59/556518859.db2.gz COCVKSDGGXFNPJ-UHFFFAOYSA-N -1 3 461.569 3.360 50 0 JGAAHM O=C(CSc1nc(-c2ccco2)n[n-]1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000032873563 556518863 /nfs/dbraw/zinc/51/88/63/556518863.db2.gz COCVKSDGGXFNPJ-UHFFFAOYSA-N -1 3 461.569 3.360 50 0 JGAAHM O=C(CSc1n[n-]c(-c2ccco2)n1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000032873563 556518866 /nfs/dbraw/zinc/51/88/66/556518866.db2.gz COCVKSDGGXFNPJ-UHFFFAOYSA-N -1 3 461.569 3.360 50 0 JGAAHM COc1ccc2nc(NC(=O)[C@@H]([N-]S(=O)(=O)c3cccc4nsnc43)C(C)C)sc2c1 ZINC000008671779 562949619 /nfs/dbraw/zinc/94/96/19/562949619.db2.gz LDIVLKNMIXBIOU-INIZCTEOSA-N -1 3 477.593 3.251 50 0 JGAAHM CCN(CC)S(=O)(=O)c1ccc2ncc(C(=O)N[C@H](C)CCc3ccccc3)c([O-])c2c1 ZINC000006181403 569588591 /nfs/dbraw/zinc/58/85/91/569588591.db2.gz JRWLSJNDAGAWLW-QGZVFWFLSA-N -1 3 455.580 3.310 50 0 JGAAHM COc1ccc(S(=O)(=O)N(CCc2ccccc2)c2ccccc2)cc1[C@@]1(C)NC(=O)[N-]C1=O ZINC000062566704 569611202 /nfs/dbraw/zinc/61/12/02/569611202.db2.gz XRLGJTCHXGLGQE-RUZDIDTESA-N -1 3 479.558 3.188 50 0 JGAAHM CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)[N-]c4c(C)cccc4CC)cc32)no1 ZINC000064450685 569617153 /nfs/dbraw/zinc/61/71/53/569617153.db2.gz HOYODFAMUWOXNR-UHFFFAOYSA-N -1 3 456.524 3.229 50 0 JGAAHM O=C1COc2ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cc2N1Cc1noc(C2CCC2)n1 ZINC000064450735 569617315 /nfs/dbraw/zinc/61/73/15/569617315.db2.gz LWACAYKVPBHKDF-UHFFFAOYSA-N -1 3 476.461 3.342 50 0 JGAAHM COc1cccc(CN2CCc3nc(SCC(=O)Nc4ccc5c(c4)OCCO5)[n-]c(=O)c3C2)c1 ZINC000033331820 569624351 /nfs/dbraw/zinc/62/43/51/569624351.db2.gz RCZMILFGXLNPIZ-UHFFFAOYSA-N -1 3 494.573 3.251 50 0 JGAAHM CCc1nc2ccccc2c(=O)n1Cc1noc([C@@H]([N-]S(=O)(=O)c2ccc(C)cc2)C(C)C)n1 ZINC000064867549 569639927 /nfs/dbraw/zinc/63/99/27/569639927.db2.gz VESGEWZOTDWYPE-QFIPXVFZSA-N -1 3 481.578 3.374 50 0 JGAAHM COc1cccc(CN2CCN(c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cn3)CC2)c1 ZINC000034667900 569640547 /nfs/dbraw/zinc/64/05/47/569640547.db2.gz ZZEIZCNMBRHCKJ-UHFFFAOYSA-N -1 3 456.543 3.352 50 0 JGAAHM COc1ccccc1CN1CCN(c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cn2)CC1 ZINC000034682151 569643687 /nfs/dbraw/zinc/64/36/87/569643687.db2.gz NVTHLKVINQPFJF-UHFFFAOYSA-N -1 3 456.543 3.352 50 0 JGAAHM CCc1nc(CN2C(=O)COc3cc(S(=O)(=O)[N-]c4ccc(F)cc4Cl)c(C)cc32)no1 ZINC000065022724 569649459 /nfs/dbraw/zinc/64/94/59/569649459.db2.gz SPOYPGAHOQKYRP-UHFFFAOYSA-N -1 3 480.905 3.459 50 0 JGAAHM CCCN(CCC)C(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cnc1N1CCNCC1 ZINC000065025241 569650491 /nfs/dbraw/zinc/65/04/91/569650491.db2.gz PEFBNZBLDDPQHU-UHFFFAOYSA-N -1 3 473.643 3.171 50 0 JGAAHM CC(C)c1ccc(S(=O)(=O)[N-]c2cnc(N3CCNCC3)c(C(=O)NC3CCCCC3)c2)cc1 ZINC000065025254 569650587 /nfs/dbraw/zinc/65/05/87/569650587.db2.gz UDOMHDADTYHIOV-UHFFFAOYSA-N -1 3 485.654 3.478 50 0 JGAAHM CCCCN(C)C(=O)c1cc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cnc1N1CCNCC1 ZINC000065025310 569650868 /nfs/dbraw/zinc/65/08/68/569650868.db2.gz HTYHHCDVPWVWDG-UHFFFAOYSA-N -1 3 473.643 3.089 50 0 JGAAHM Cc1sc(-c2noc(C(=O)N3CCOCC3)n2)cc1S(=O)(=O)[N-]c1ccc(C)cc1Cl ZINC000065097722 569661478 /nfs/dbraw/zinc/66/14/78/569661478.db2.gz KJZLVGZDRUJIPQ-UHFFFAOYSA-N -1 3 482.971 3.342 50 0 JGAAHM O=C(c1nnc(-c2csc(S(=O)(=O)[N-]CCc3ccc(Cl)cc3)c2)o1)N1CCCC1 ZINC000065098761 569661824 /nfs/dbraw/zinc/66/18/24/569661824.db2.gz LUTGLGMWILKSJM-UHFFFAOYSA-N -1 3 466.972 3.209 50 0 JGAAHM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(F)cc3F)cn2C)sc1C(=O)N1CCOCC1 ZINC000065137552 569668511 /nfs/dbraw/zinc/66/85/11/569668511.db2.gz PHMAMQKAZYZDOR-UHFFFAOYSA-N -1 3 482.534 3.008 50 0 JGAAHM CCCN1CCc2nc(SCC(=O)Nc3cc(Cl)c(OC)cc3OC)[n-]c(=O)c2C1 ZINC000067291808 569685717 /nfs/dbraw/zinc/68/57/17/569685717.db2.gz SYDSMYHIPWMWLY-UHFFFAOYSA-N -1 3 452.964 3.352 50 0 JGAAHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000035526360 569698848 /nfs/dbraw/zinc/69/88/48/569698848.db2.gz OVKDKMNPHJRCQF-PLMTUMEDSA-N -1 3 467.584 3.338 50 0 JGAAHM COc1ccc(S(=O)(=O)[N-]c2cccc([C@@H]3NC(=O)N(C)C(C)=C3C(=O)OC(C)C)c2)cc1 ZINC000035707685 569707589 /nfs/dbraw/zinc/70/75/89/569707589.db2.gz ADRCJNIJCDLMCK-NRFANRHFSA-N -1 3 473.551 3.418 50 0 JGAAHM O=C(c1nnc(-c2cc(S(=O)(=O)[N-]c3ccc(Br)cc3F)c[nH]2)o1)N1CCCC1 ZINC000085808707 569715520 /nfs/dbraw/zinc/71/55/20/569715520.db2.gz XDQZWDAOBRSSGB-UHFFFAOYSA-N -1 3 484.307 3.003 50 0 JGAAHM CN1CCN2c3cccc(Cl)c3C[C@]3(C(=O)[N-]C(=O)N(CCc4ccccc4)C3=O)[C@@H]2C1 ZINC000035877377 569719868 /nfs/dbraw/zinc/71/98/68/569719868.db2.gz PTIWIEPBTQWOKZ-GBXCKJPGSA-N -1 3 452.942 3.164 50 0 JGAAHM CC[C@@H](C)N(Cc1cc([N-]S(=O)(=O)c2ccc(OC)cc2)ccc1N(C)C)C(=O)COC ZINC000035945530 569732794 /nfs/dbraw/zinc/73/27/94/569732794.db2.gz AJRKAYVVKAQFIL-QGZVFWFLSA-N -1 3 463.600 3.336 50 0 JGAAHM CC[C@H](C)N(Cc1cc([N-]S(=O)(=O)c2ccc(OC)cc2)ccc1N(C)C)C(=O)COC ZINC000035945531 569732801 /nfs/dbraw/zinc/73/28/01/569732801.db2.gz AJRKAYVVKAQFIL-KRWDZBQOSA-N -1 3 463.600 3.336 50 0 JGAAHM CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2cc3cccc4c3n(c2=O)CC4)CCO1 ZINC000096117774 569735834 /nfs/dbraw/zinc/73/58/34/569735834.db2.gz XFGDPVBAOWKYEH-FOIQADDNSA-N -1 3 466.563 3.365 50 0 JGAAHM COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccc2Cl)c1 ZINC000096134030 569736355 /nfs/dbraw/zinc/73/63/55/569736355.db2.gz IHIZNFONAZJQGW-TWGQIWQCSA-N -1 3 482.942 3.046 50 0 JGAAHM CCOC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c(O)n(-c3ccc(C)cc3)c(=O)c1-2 ZINC000100563775 569764761 /nfs/dbraw/zinc/76/47/61/569764761.db2.gz DJRUJBRYVWIWFO-FUHWJXTLSA-N -1 3 456.296 3.055 50 0 JGAAHM CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000036359033 569772216 /nfs/dbraw/zinc/77/22/16/569772216.db2.gz ZEDMYTDJACBNQX-DEOSSOPVSA-N -1 3 478.549 3.435 50 0 JGAAHM COc1cc2c(cc1OC)CN(Cc1c([O-])occ(CN3CCN(c4ccccc4)CC3)c1=O)CC2 ZINC000101372822 569794720 /nfs/dbraw/zinc/79/47/20/569794720.db2.gz NZKRPRFAKASRPN-UHFFFAOYSA-N -1 3 491.588 3.243 50 0 JGAAHM COc1cc2c(cc1OC)CN(Cc1c([O-])c(CN3CCN(c4ccccc4)CC3)coc1=O)CC2 ZINC000101372822 569794721 /nfs/dbraw/zinc/79/47/21/569794721.db2.gz NZKRPRFAKASRPN-UHFFFAOYSA-N -1 3 491.588 3.243 50 0 JGAAHM C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1)C(=O)N(C)c1ccccc1 ZINC000039974820 569812665 /nfs/dbraw/zinc/81/26/65/569812665.db2.gz JQHGEPMXBILXMW-QAPCUYQASA-N -1 3 480.970 3.006 50 0 JGAAHM CSCC[C@H]([N-]S(=O)(=O)/C=C/c1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1C ZINC000040081502 569815841 /nfs/dbraw/zinc/81/58/41/569815841.db2.gz DAZWFRUHMYSNAW-HZUJZGFBSA-N -1 3 489.663 3.482 50 0 JGAAHM COc1ccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccc(C)cc4)[n-]c(=O)c32)c(OC)c1 ZINC000046075001 569843731 /nfs/dbraw/zinc/84/37/31/569843731.db2.gz HHLCWHWYNCUZDF-MRXNPFEDSA-N -1 3 480.546 3.452 50 0 JGAAHM COc1cccc(NC(=O)C2CC(=O)Nc3nc(SCc4cccc(C)c4)[n-]c(=O)c32)c1 ZINC000046074884 569843788 /nfs/dbraw/zinc/84/37/88/569843788.db2.gz JVAKEJDFRRZMHN-QGZVFWFLSA-N -1 3 450.520 3.444 50 0 JGAAHM O=C(NCCN1CCCCC1)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421228 569846891 /nfs/dbraw/zinc/84/68/91/569846891.db2.gz UUQMBTAVJGBOOO-IBGZPJMESA-N -1 3 465.623 3.470 50 0 JGAAHM COC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)c(OC)c2)cc1 ZINC000245328657 570066005 /nfs/dbraw/zinc/06/60/05/570066005.db2.gz WASNZCDMELQKKI-DNVJHFABSA-N -1 3 474.469 3.239 50 0 JGAAHM CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Cl)ccc3[O-])c(=O)n2[C@@H]1c1ccccc1 ZINC000252667756 570091142 /nfs/dbraw/zinc/09/11/42/570091142.db2.gz DKXMSTALKWZLEO-HXUWFJFHSA-N -1 3 454.935 3.157 50 0 JGAAHM COC(=O)C[C@H](c1cccnc1)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1[O-] ZINC000263586379 570171730 /nfs/dbraw/zinc/17/17/30/570171730.db2.gz TVOPZKKHTKHODE-HXUWFJFHSA-N -1 3 480.517 3.011 50 0 JGAAHM COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(F)cc2)c(I)c1[O-] ZINC000001126975 194036636 /nfs/dbraw/zinc/03/66/36/194036636.db2.gz IPUGBKADCUWLLN-INIZCTEOSA-N -1 3 497.264 3.411 50 0 JGAAHM CCN(CC)CCOC(=O)c1ccc(NC(=O)c2c([O-])c3ccccc3n(CC)c2=O)cc1 ZINC000001835895 194148791 /nfs/dbraw/zinc/14/87/91/194148791.db2.gz CHFQAUTXQGJBOF-UHFFFAOYSA-N -1 3 451.523 3.478 50 0 JGAAHM NS(=O)(=O)c1cc2c(cc1Cl)N[C@@H](c1cccc(Oc3ccccc3)c1)[N-]S2(=O)=O ZINC000003264654 194256351 /nfs/dbraw/zinc/25/63/51/194256351.db2.gz MUCVNSYKAFVKEB-LJQANCHMSA-N -1 3 465.940 3.182 50 0 JGAAHM O=C(NCc1ccc2c(c1)OCO2)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1 ZINC000003418372 194317933 /nfs/dbraw/zinc/31/79/33/194317933.db2.gz YBKBSHXZJRFMDN-UHFFFAOYSA-N -1 3 458.923 3.477 50 0 aggregator JGAAHM COc1ccc(N(C)C(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccc3nsnc32)cc1 ZINC000009692632 194896804 /nfs/dbraw/zinc/89/68/04/194896804.db2.gz YSTBMMZECZKXAN-HXUWFJFHSA-N -1 3 482.587 3.253 50 0 JGAAHM O=C(CC[N-]S(=O)(=O)c1cc(Br)ccc1Br)NCc1ccc(F)cc1 ZINC000009909933 195020879 /nfs/dbraw/zinc/02/08/79/195020879.db2.gz DYUHGNXCAOSDKT-UHFFFAOYSA-N -1 3 494.180 3.336 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1cc(C)ccc1N(CCOc1ccc(Cl)cc1)C2=O ZINC000009925797 195024117 /nfs/dbraw/zinc/02/41/17/195024117.db2.gz PDKBFDBANDNDCF-JOCHJYFZSA-N -1 3 472.954 3.229 50 0 JGAAHM CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000009870566 195005749 /nfs/dbraw/zinc/00/57/49/195005749.db2.gz HQOMPISJJQPVPC-HXUWFJFHSA-N -1 3 465.941 3.198 50 0 JGAAHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCCN3C[C@@H](C)O[C@H](C)C3)c2)cc1 ZINC000012605843 195051529 /nfs/dbraw/zinc/05/15/29/195051529.db2.gz HBEKWBVPBKWICT-RTBURBONSA-N -1 3 475.611 3.115 50 0 JGAAHM O=C(Nc1ccc(N2CCCC2=O)cc1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F ZINC000012690534 195088161 /nfs/dbraw/zinc/08/81/61/195088161.db2.gz IAOSZAQQDMOIAY-QFIPXVFZSA-N -1 3 481.549 3.481 50 0 JGAAHM O=C([C@H](Sc1nc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C1CC1)c1ccccc1)N1CCCC1 ZINC000012811288 195144510 /nfs/dbraw/zinc/14/45/10/195144510.db2.gz QCOQXOPTTZIPPR-GOSISDBHSA-N -1 3 463.563 3.148 50 0 JGAAHM COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1c([O-])[nH]c(=O)n([C@@H](C)CCc2ccccc2)c1=O ZINC000020758009 195216758 /nfs/dbraw/zinc/21/67/58/195216758.db2.gz GTPZVCBYYMPSOY-WNSKOXEYSA-N -1 3 460.534 3.161 50 0 biogenic JGAAHM COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1c(=O)[nH]c(=O)n([C@@H](C)CCc2ccccc2)c1[O-] ZINC000020758009 195216761 /nfs/dbraw/zinc/21/67/61/195216761.db2.gz GTPZVCBYYMPSOY-WNSKOXEYSA-N -1 3 460.534 3.161 50 0 biogenic JGAAHM COc1cc([C@@H]2SC([N-]C(C)=O)=NN2C(C)=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000020895541 195239477 /nfs/dbraw/zinc/23/94/77/195239477.db2.gz SMQDKTRPLGDMDN-IBGZPJMESA-N -1 3 497.982 3.426 50 0 JGAAHM Cc1ccc(CC(=O)N2CCC[C@@H](c3nc4c(nnn4Cc4cccc(Cl)c4)c(=O)[n-]3)C2)cc1 ZINC000021178165 195290952 /nfs/dbraw/zinc/29/09/52/195290952.db2.gz CXQGZPMDHPHAHT-LJQANCHMSA-N -1 3 476.968 3.473 50 0 JGAAHM C[C@H](OC(=O)C[N-]S(=O)(=O)/C=C\c1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000096499506 130109442 /nfs/dbraw/zinc/10/94/42/130109442.db2.gz BVARQKCFVLRMFO-NYHXXUGCSA-N -1 3 456.442 3.166 50 0 JGAAHM CCOC(=O)c1cc(C(C)C)sc1NC(=O)COC(=O)C[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000096499461 130109587 /nfs/dbraw/zinc/10/95/87/130109587.db2.gz ASXWHRZKAYKWDG-KHPPLWFESA-N -1 3 494.591 3.120 50 0 JGAAHM Cc1ccc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000102992553 130441508 /nfs/dbraw/zinc/44/15/08/130441508.db2.gz ULHBUMMLONCUFK-HDICACEKSA-N -1 3 485.537 3.215 50 0 JGAAHM CCCCN(C)C(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000033033211 520394086 /nfs/dbraw/zinc/39/40/86/520394086.db2.gz YFLPRXZVTZKNGB-UHFFFAOYSA-N -1 3 458.628 3.386 50 0 JGAAHM CCCCN(CC)C(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccccc2C)c1 ZINC000033033500 520472256 /nfs/dbraw/zinc/47/22/56/520472256.db2.gz NLKBDOHBKICFEM-UHFFFAOYSA-N -1 3 458.628 3.468 50 0 JGAAHM CCN(CC)C(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2cc(Cl)ccc2OC)c1 ZINC000033033413 520551328 /nfs/dbraw/zinc/55/13/28/520551328.db2.gz LVKNGHLHDLSKFR-UHFFFAOYSA-N -1 3 481.018 3.041 50 0 JGAAHM CC1(C)NC(=O)N(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3Cl)c2)C1=O ZINC000009223421 520602068 /nfs/dbraw/zinc/60/20/68/520602068.db2.gz SFHTVRRWDJOKJO-UHFFFAOYSA-N -1 3 485.349 3.063 50 0 JGAAHM CCN1C(=S)N[C@H](c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2)C(C(=O)OC)=C1C ZINC000004146251 521542233 /nfs/dbraw/zinc/54/22/33/521542233.db2.gz WXBVCPVLKKPSBM-HXUWFJFHSA-N -1 3 475.592 3.194 50 0 JGAAHM CC[C@@H](C)NC(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000033033929 522214687 /nfs/dbraw/zinc/21/46/87/522214687.db2.gz HBLAPNHVHDLYHC-OAHLLOKOSA-N -1 3 450.992 3.079 50 0 JGAAHM CCc1nc(Cn2c(=O)oc3cc(S(=O)(=O)[N-]c4ccc(Br)cc4F)ccc32)no1 ZINC000064946883 522375761 /nfs/dbraw/zinc/37/57/61/522375761.db2.gz PEXPOHSQGQRSSJ-UHFFFAOYSA-N -1 3 497.302 3.291 50 0 JGAAHM COC(=O)c1sc2[n-]c(CN(Cc3ccco3)C[C@H](O)COc3ccccc3)nc(=O)c2c1C ZINC000036207509 522435724 /nfs/dbraw/zinc/43/57/24/522435724.db2.gz WWULOFRKYRSOQY-INIZCTEOSA-N -1 3 483.546 3.115 50 0 JGAAHM CCc1c(C(=O)OC)sc2[n-]c(CN(Cc3ccco3)C[C@H](O)COc3ccccc3)nc(=O)c12 ZINC000036207298 523707356 /nfs/dbraw/zinc/70/73/56/523707356.db2.gz IDMXGSNSDQZOSO-INIZCTEOSA-N -1 3 497.573 3.369 50 0 JGAAHM CC[C@H](C)NC(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c1 ZINC000033034056 523997770 /nfs/dbraw/zinc/99/77/70/523997770.db2.gz HHXOYBAXUYRBBL-INIZCTEOSA-N -1 3 465.019 3.387 50 0 JGAAHM CC[C@H](C)NC(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000033033931 523998434 /nfs/dbraw/zinc/99/84/34/523998434.db2.gz HBLAPNHVHDLYHC-HNNXBMFYSA-N -1 3 450.992 3.079 50 0 JGAAHM Cc1ccc(C)c(C(=O)N2CCC(c3nc4c(nnn4Cc4ccc(F)c(F)c4)c(=O)[n-]3)CC2)c1 ZINC000020440368 524084609 /nfs/dbraw/zinc/08/46/09/524084609.db2.gz QHHBDPDBCDCMNV-UHFFFAOYSA-N -1 3 478.503 3.478 50 0 JGAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NC3CCCC3)ccc2N2CCNCC2)c1 ZINC000033034242 524192429 /nfs/dbraw/zinc/19/24/29/524192429.db2.gz JSOSQIZHTVTIQA-UHFFFAOYSA-N -1 3 456.612 3.186 50 0 JGAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)NCc1cscn1 ZINC000033138982 524249840 /nfs/dbraw/zinc/24/98/40/524249840.db2.gz GCOBGHYTULMKKT-KRWDZBQOSA-N -1 3 465.984 3.011 50 0 JGAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NC3CCCC3)ccc2N2CCNCC2)c(C)c1 ZINC000033034293 524325031 /nfs/dbraw/zinc/32/50/31/524325031.db2.gz JGQBJFLQZOEYDU-UHFFFAOYSA-N -1 3 470.639 3.495 50 0 JGAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)c(C)c1NS(C)(=O)=O ZINC000048302827 524327202 /nfs/dbraw/zinc/32/72/02/524327202.db2.gz CXBWYLKUCIJARW-UHFFFAOYSA-N -1 3 451.570 3.133 50 0 JGAAHM Cc1cccc(CNC(=O)c2ccc(N3CCNCC3)c([N-]S(=O)(=O)c3cccs3)c2)c1 ZINC000033034366 524428657 /nfs/dbraw/zinc/42/86/57/524428657.db2.gz IGMYNEFVRPXVPP-UHFFFAOYSA-N -1 3 470.620 3.197 50 0 JGAAHM COc1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CN(Cc2ccccc2)CC3)c(OC)c1 ZINC000012415428 524507654 /nfs/dbraw/zinc/50/76/54/524507654.db2.gz OUMHEWPHUXOLKS-UHFFFAOYSA-N -1 3 466.563 3.489 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCCCC4)n3)ccc2C)cc1 ZINC000065318909 524686499 /nfs/dbraw/zinc/68/64/99/524686499.db2.gz BPIPTXUVQKXWSH-UHFFFAOYSA-N -1 3 456.524 3.481 50 0 JGAAHM Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)N(C)Cc3ccccc3)ccc2N2CCNCC2)c1 ZINC000033033920 524807766 /nfs/dbraw/zinc/80/77/66/524807766.db2.gz UFKGIBOUSJLIDF-UHFFFAOYSA-N -1 3 478.618 3.478 50 0 JGAAHM COc1ccc(S(=O)(=O)NCc2nnc(C(=O)[N-]c3ccc(F)cc3F)s2)cc1Cl ZINC000064991824 525068500 /nfs/dbraw/zinc/06/85/00/525068500.db2.gz OPWSHBDBAQMPNT-UHFFFAOYSA-N -1 3 474.898 3.209 50 0 JGAAHM Cc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)NCc2ccccc2)ccc1N1CCNCC1 ZINC000033033886 525331998 /nfs/dbraw/zinc/33/19/98/525331998.db2.gz HZDUDYAWFHQDQJ-UHFFFAOYSA-N -1 3 464.591 3.135 50 0 JGAAHM Cc1ccc(S(=O)(=O)N2CCN(Cc3nc(=O)c4c(-c5ccccc5)csc4[n-]3)CC2)cc1 ZINC000033361115 525543947 /nfs/dbraw/zinc/54/39/47/525543947.db2.gz ZJUKFNMYXRTCBX-UHFFFAOYSA-N -1 3 480.615 3.467 50 0 JGAAHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCC[C@H](C)C3)ccc2N2CCNCC2)cc1 ZINC000033033181 525591894 /nfs/dbraw/zinc/59/18/94/525591894.db2.gz UQNSGLCTKLUCCT-IBGZPJMESA-N -1 3 456.612 3.078 50 0 JGAAHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3ccccc3)ccc2N2CCNCC2)cc1 ZINC000033033871 525594223 /nfs/dbraw/zinc/59/42/23/525594223.db2.gz PGKXQJJVHLNZCL-UHFFFAOYSA-N -1 3 464.591 3.135 50 0 JGAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCCCN4CCCC4=O)CC3)cc2)cc1C ZINC000033115344 525602075 /nfs/dbraw/zinc/60/20/75/525602075.db2.gz HHHXNDZGFGDTOL-UHFFFAOYSA-N -1 3 469.607 3.265 50 0 JGAAHM Cc1ccc(SCc2cc(=O)[n-]c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1 ZINC000008642571 525662098 /nfs/dbraw/zinc/66/20/98/525662098.db2.gz PQDBBBVRICFIGF-UHFFFAOYSA-N -1 3 450.564 3.422 50 0 JGAAHM COc1cccc(Cn2nnc3c2nc([C@H]2CCCN(C(=O)c4ccc(C)cc4)C2)[n-]c3=O)c1 ZINC000008612476 526111822 /nfs/dbraw/zinc/11/18/22/526111822.db2.gz LYYMXTXHUCBAMB-IBGZPJMESA-N -1 3 458.522 3.312 50 0 JGAAHM Cc1cc(=O)n2nc(NCc3ccc(C(=O)Nc4ccc(Br)cc4)cc3)[n-]c2n1 ZINC000021806724 526145581 /nfs/dbraw/zinc/14/55/81/526145581.db2.gz YRBWOSBSHUAQQB-UHFFFAOYSA-N -1 3 453.300 3.353 50 0 JGAAHM Cc1cc(Br)ccc1NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000008661379 526171506 /nfs/dbraw/zinc/17/15/06/526171506.db2.gz MKQDLTOLBBSORZ-UHFFFAOYSA-N -1 3 468.192 3.499 50 0 JGAAHM O=C(NCc1ccc(Cl)cc1)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000040149830 526660584 /nfs/dbraw/zinc/66/05/84/526660584.db2.gz SYWIRGLHVUDLNE-JOCHJYFZSA-N -1 3 472.950 3.447 50 0 JGAAHM Cc1nc2sc([C@H](c3cccc(Br)c3)N3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000022626560 527206679 /nfs/dbraw/zinc/20/66/79/527206679.db2.gz LTFGWXALSIWGBL-HNNXBMFYSA-N -1 3 465.373 3.496 50 0 JGAAHM O=S(=O)([N-]CCn1c2ncccc2nc1C(F)(F)F)c1ccc(Br)s1 ZINC000033252088 527222555 /nfs/dbraw/zinc/22/25/55/527222555.db2.gz SHYLMOQCPDJJBU-UHFFFAOYSA-N -1 3 455.281 3.253 50 0 JGAAHM O=S(=O)([N-]c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000017191254 527249792 /nfs/dbraw/zinc/24/97/92/527249792.db2.gz HSXYZUAYAZHJGL-UHFFFAOYSA-N -1 3 486.571 3.400 50 0 JGAAHM O=C(Cn1[n-]c(=O)c2ccccc2c1=O)Nc1nnc(SCc2ccc(Cl)cc2)s1 ZINC000002638675 527348132 /nfs/dbraw/zinc/34/81/32/527348132.db2.gz ZNAUSMOLBUJZMQ-UHFFFAOYSA-N -1 3 459.940 3.126 50 0 JGAAHM O=C([N-]c1snnc1C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)Nc1ccccc1Cl ZINC000033436087 527541185 /nfs/dbraw/zinc/54/11/85/527541185.db2.gz LZGUWMHCMFYVLL-OLZOCXBDSA-N -1 3 470.942 3.257 50 0 JGAAHM COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cc(Br)c([O-])c(OC)c1 ZINC000000940592 553876456 /nfs/dbraw/zinc/87/64/56/553876456.db2.gz LFSRICPXEYATRX-KRWDZBQOSA-N -1 3 487.314 3.086 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1cc(Br)ccc1N(CCc1ccccc1)C2=O ZINC000002453703 554220815 /nfs/dbraw/zinc/22/08/15/554220815.db2.gz VLVHEZIRGYIHAV-NRFANRHFSA-N -1 3 487.379 3.194 50 0 JGAAHM CCOC(=O)[C@]([O-])(CC(=O)Nc1ccc(Br)cc1Br)C(F)(F)F ZINC000002726895 554312605 /nfs/dbraw/zinc/31/26/05/554312605.db2.gz GYERGPDEXMTSOH-GFCCVEGCSA-N -1 3 463.044 3.397 50 0 JGAAHM Cc1ccccc1Cn1cnc([N-]C(=O)c2cc(S(=O)(=O)N(C)C)c(Cl)cc2Cl)n1 ZINC000002793871 554349591 /nfs/dbraw/zinc/34/95/91/554349591.db2.gz OKMHIXMNDKTWBF-UHFFFAOYSA-N -1 3 468.366 3.444 50 0 JGAAHM Cc1ccc(S(=O)(=O)[N-][C@@]2(C(F)(F)F)NC(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000002863483 554389869 /nfs/dbraw/zinc/38/98/69/554389869.db2.gz LHJGZZIUNYEHFM-INIZCTEOSA-N -1 3 465.812 3.081 50 0 JGAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000008775745 554673928 /nfs/dbraw/zinc/67/39/28/554673928.db2.gz RTTOGUXJCQLDBI-GOSISDBHSA-N -1 3 480.637 3.136 50 0 JGAAHM Cc1ccccc1OCc1nc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)n[n-]1 ZINC000008850233 554747354 /nfs/dbraw/zinc/74/73/54/554747354.db2.gz ANNGSHIMFDWXCX-UHFFFAOYSA-N -1 3 487.607 3.207 50 0 JGAAHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(-n4cnnn4)cc3)ccc2C)cc1 ZINC000009130118 554929076 /nfs/dbraw/zinc/92/90/76/554929076.db2.gz JRJZNQCWILSQTN-UHFFFAOYSA-N -1 3 478.534 3.423 50 0 JGAAHM Cc1ccccc1C(=O)N1CCC(C(=O)O[C@@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)CC1 ZINC000009155275 554945425 /nfs/dbraw/zinc/94/54/25/554945425.db2.gz VWKCUTPSOOHDHI-KRWDZBQOSA-N -1 3 472.563 3.033 50 0 JGAAHM Cc1ccc(OCC(=O)N2CCC(c3nc4c(nnn4Cc4ccc(F)cc4)c(=O)[n-]3)CC2)cc1 ZINC000009250543 555023919 /nfs/dbraw/zinc/02/39/19/555023919.db2.gz PNKNHESIUFQVRA-UHFFFAOYSA-N -1 3 476.512 3.208 50 0 JGAAHM Cc1ccc(OCC(=O)N2CCC(c3nc4c(nnn4Cc4ccccc4F)c(=O)[n-]3)CC2)cc1 ZINC000009250557 555023940 /nfs/dbraw/zinc/02/39/40/555023940.db2.gz VWXKDDCQULEGLR-UHFFFAOYSA-N -1 3 476.512 3.208 50 0 JGAAHM Cc1ccc(CC(=O)N2CCC(c3nc4c(nnn4Cc4cccc(F)c4)c(=O)[n-]3)CC2)cc1 ZINC000009250513 555023998 /nfs/dbraw/zinc/02/39/98/555023998.db2.gz NAFMDIBCKIRSQH-UHFFFAOYSA-N -1 3 460.513 3.371 50 0 JGAAHM O=C(Nc1ccccc1N1CCCC1=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1 ZINC000009335864 555103476 /nfs/dbraw/zinc/10/34/76/555103476.db2.gz ZDUCLNVWHVKUEU-INIZCTEOSA-N -1 3 477.970 3.176 50 0 JGAAHM COC(=O)c1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c2)cc(C(=O)OC)c1 ZINC000009508767 555295552 /nfs/dbraw/zinc/29/55/52/555295552.db2.gz RIQSPCCYBWLWKL-UHFFFAOYSA-N -1 3 482.942 3.242 50 0 JGAAHM CCn1c(CCC(N)=O)nnc1SCc1nc(=O)c2c(-c3ccc(C)s3)csc2[n-]1 ZINC000009514376 555304946 /nfs/dbraw/zinc/30/49/46/555304946.db2.gz GPZJMZJXCGNSTP-UHFFFAOYSA-N -1 3 460.610 3.343 50 0 JGAAHM CCOC(=O)c1[n-]c(COC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)c(C(=O)OCC)c1C ZINC000013141209 555338190 /nfs/dbraw/zinc/33/81/90/555338190.db2.gz IHZFZEDTYRHYKG-SFHVURJKSA-N -1 3 496.516 3.354 50 0 JGAAHM CCC(=O)N(c1nnc(S[C@@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)s1)C1CC1 ZINC000009672334 555394133 /nfs/dbraw/zinc/39/41/33/555394133.db2.gz IRRNWTSPMKZOPG-NSHDSACASA-N -1 3 454.599 3.179 50 0 JGAAHM COc1ccc(CNC(=O)[C@H]([N-]S(=O)(=O)c2cccc3nsnc32)c2ccccc2)cc1 ZINC000009692431 555419687 /nfs/dbraw/zinc/41/96/87/555419687.db2.gz OTEBLVAFIMHODV-HXUWFJFHSA-N -1 3 468.560 3.036 50 0 JGAAHM COc1cc(C2=NO[C@H](C(=O)Nc3cc(Br)ccc3[O-])C2)cc(OC)c1OC ZINC000009856706 555557282 /nfs/dbraw/zinc/55/72/82/555557282.db2.gz FZYXORBQGPRHFE-KRWDZBQOSA-N -1 3 451.273 3.312 50 0 JGAAHM COc1ccc(NC(=O)C2CCN(C(C)=O)CC2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000009950586 555564960 /nfs/dbraw/zinc/56/49/60/555564960.db2.gz XQFQSOOQFSVCDW-UHFFFAOYSA-N -1 3 465.959 3.346 50 0 JGAAHM O=C(COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)N1CCN(CCc2ccccn2)CC1 ZINC000013693758 555588584 /nfs/dbraw/zinc/58/85/84/555588584.db2.gz RFRDFASXPOBDIO-UHFFFAOYSA-N -1 3 485.540 3.326 50 0 biogenic JGAAHM O=C(CCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)NC1CCN(Cc2ccccc2)CC1 ZINC000010274537 555670256 /nfs/dbraw/zinc/67/02/56/555670256.db2.gz OWCBJMOVXDUMBS-UHFFFAOYSA-N -1 3 480.590 3.349 50 0 JGAAHM O=C(CNC(=O)c1ccc(Cl)cc1Cl)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000010293948 555674447 /nfs/dbraw/zinc/67/44/47/555674447.db2.gz QGTHIOJWTPGIQB-UHFFFAOYSA-N -1 3 450.322 3.306 50 0 JGAAHM CCOc1ccccc1CN1c2ccc(Cl)cc2[C@@]2(SC([N-]C(C)=O)=NN2C(C)=O)C1=O ZINC000010335674 555690635 /nfs/dbraw/zinc/69/06/35/555690635.db2.gz BTGGAGKFPQSGDX-JOCHJYFZSA-N -1 3 472.954 3.441 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1cc(Cl)ccc1N(CCOc1ccccc1C)C2=O ZINC000010335709 555690699 /nfs/dbraw/zinc/69/06/99/555690699.db2.gz UBMFFVQFCHNXPX-QFIPXVFZSA-N -1 3 472.954 3.229 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1cc(Cl)ccc1N(CCCOc1ccccc1)C2=O ZINC000010335740 555690776 /nfs/dbraw/zinc/69/07/76/555690776.db2.gz LFPMLDMSKODTQH-QFIPXVFZSA-N -1 3 472.954 3.311 50 0 JGAAHM Cc1cc(C(=O)CSc2n[n-]c(COc3ccccc3C)n2)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000014196761 555729199 /nfs/dbraw/zinc/72/91/99/555729199.db2.gz RYASSSORFSLLBA-QGZVFWFLSA-N -1 3 474.608 3.445 50 0 JGAAHM O=S(=O)([N-]C1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)c1cccs1 ZINC000010680176 555732032 /nfs/dbraw/zinc/73/20/32/555732032.db2.gz WQBABLNRQVJCAN-UHFFFAOYSA-N -1 3 455.410 3.187 50 0 JGAAHM CSCC[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCc1coc(-c2cccs2)n1 ZINC000010871296 555744542 /nfs/dbraw/zinc/74/45/42/555744542.db2.gz JPJQPRPLBRMNNF-HNNXBMFYSA-N -1 3 469.585 3.259 50 0 JGAAHM COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)[N-]c2cc(C)no2)cc1 ZINC000011002514 555752295 /nfs/dbraw/zinc/75/22/95/555752295.db2.gz IIPZEHXYAXPWCY-OAHLLOKOSA-N -1 3 473.507 3.001 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1cc(C)cc(C)c1N(CCOc1cccc(C)c1)C2=O ZINC000011692641 555801634 /nfs/dbraw/zinc/80/16/34/555801634.db2.gz RLVKTHJMRHQENP-DEOSSOPVSA-N -1 3 466.563 3.193 50 0 JGAAHM O=c1[n-]c(=O)n(Cc2ccncc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(c1ccccc1)N2 ZINC000020547070 555806712 /nfs/dbraw/zinc/80/67/12/555806712.db2.gz ZLXWTYCVHZVUFU-UHFFFAOYSA-N -1 3 469.345 3.172 50 0 JGAAHM Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)[N-]c1ccc(C(C)(C)C)cc1 ZINC000011858135 555837433 /nfs/dbraw/zinc/83/74/33/555837433.db2.gz HZQUJTLBGGUDMF-UHFFFAOYSA-N -1 3 450.582 3.468 50 0 JGAAHM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000020604119 555844693 /nfs/dbraw/zinc/84/46/93/555844693.db2.gz KAFVZVWKLZTHGV-UHFFFAOYSA-N -1 3 459.387 3.488 50 0 JGAAHM CC(=O)NCc1ccc(-c2csc(NC(=O)[C@@H]([N-]S(=O)(=O)c3cccs3)C(C)C)n2)o1 ZINC000022067546 555869227 /nfs/dbraw/zinc/86/92/27/555869227.db2.gz YQKHXVREQITCKH-KRWDZBQOSA-N -1 3 482.609 3.042 50 0 JGAAHM CN(C[C@@H](O)c1ccccc1)C(=O)c1cc([N-]S(C)(=O)=O)cc2ncn(CCc3ccccc3)c21 ZINC000012163482 555931905 /nfs/dbraw/zinc/93/19/05/555931905.db2.gz DTWAWLANFUZJMB-XMMPIXPASA-N -1 3 492.601 3.456 50 0 JGAAHM CCOC(=O)C1CCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccc(OC)c(OC)c2)CC1 ZINC000022853565 555960624 /nfs/dbraw/zinc/96/06/24/555960624.db2.gz OQGDUUJSVRFXPB-LJQANCHMSA-N -1 3 474.583 3.441 50 0 JGAAHM O=C(Nc1ccc(OC(F)(F)F)cc1)C1CC(=O)Nc2nc(N3CCc4ccccc4C3)[n-]c(=O)c21 ZINC000012389777 555973103 /nfs/dbraw/zinc/97/31/03/555973103.db2.gz HDQYPHXZNFHSDI-QGZVFWFLSA-N -1 3 499.449 3.296 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CNC(=O)Cc3ccccc3)ccc2C)cc1 ZINC000012541753 556016166 /nfs/dbraw/zinc/01/61/66/556016166.db2.gz LUMKALWFZSLGKC-UHFFFAOYSA-N -1 3 467.547 3.102 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)S1 ZINC000015832923 556017955 /nfs/dbraw/zinc/01/79/55/556017955.db2.gz XYVRXPUDKBGBOS-QGZVFWFLSA-N -1 3 498.380 3.218 50 0 JGAAHM COc1ccccc1N1CCN(C(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)CC1 ZINC000012545283 556021332 /nfs/dbraw/zinc/02/13/32/556021332.db2.gz KYMDEAJKWVGRPQ-UHFFFAOYSA-N -1 3 484.405 3.405 50 0 JGAAHM COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C[C@H]3CCCO3)c2)c(OC)c1 ZINC000015934641 556071718 /nfs/dbraw/zinc/07/17/18/556071718.db2.gz VKGBUQUUJNZZRQ-OAHLLOKOSA-N -1 3 454.932 3.067 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@@H](CC(C)C)N3CCOCC3)ccc2C)cc1 ZINC000012738574 556106715 /nfs/dbraw/zinc/10/67/15/556106715.db2.gz YHQLLFQNBABKRQ-JOCHJYFZSA-N -1 3 489.638 3.281 50 0 JGAAHM COc1cccc([C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c2nccn2C)c1 ZINC000024017941 556116304 /nfs/dbraw/zinc/11/63/04/556116304.db2.gz FNTKUPDIACBWEN-DJJJIMSYSA-N -1 3 497.404 3.308 50 0 JGAAHM COc1ccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCc2ccc(Cl)cc2)cc1 ZINC000016955071 556186873 /nfs/dbraw/zinc/18/68/73/556186873.db2.gz JERWEMYTCDHISW-UHFFFAOYSA-N -1 3 455.927 3.189 50 0 JGAAHM COc1ccc(NC(=O)CSc2nc3c(cnn3-c3ccccc3OC)c(=O)[n-]2)cc1OC ZINC000016974258 556192808 /nfs/dbraw/zinc/19/28/08/556192808.db2.gz XTWFDKCWDDKSMF-UHFFFAOYSA-N -1 3 467.507 3.278 50 0 JGAAHM O=C(Nc1ccc(N2CCCC2)nc1)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1 ZINC000013005981 556197815 /nfs/dbraw/zinc/19/78/15/556197815.db2.gz MEWNZKRSKWLEPB-KRWDZBQOSA-N -1 3 464.975 3.045 50 0 JGAAHM C[C@@H](CCc1ccccc1)NC(=O)COC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000013011949 556203822 /nfs/dbraw/zinc/20/38/22/556203822.db2.gz YXIDRQFORRDQAE-GJZGRUSLSA-N -1 3 487.405 3.341 50 0 JGAAHM C[C@@H](NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F)c1ccc2c(c1)OCCO2 ZINC000025388990 556211547 /nfs/dbraw/zinc/21/15/47/556211547.db2.gz PXBQEUNHQKNKQF-DYESRHJHSA-N -1 3 484.549 3.364 50 0 JGAAHM C[C@H](NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F)c1ccc2c(c1)OCCO2 ZINC000025388997 556211583 /nfs/dbraw/zinc/21/15/83/556211583.db2.gz PXBQEUNHQKNKQF-LAUBAEHRSA-N -1 3 484.549 3.364 50 0 JGAAHM O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000025905263 556238301 /nfs/dbraw/zinc/23/83/01/556238301.db2.gz IJLDRYCVSFSFAR-UHFFFAOYSA-N -1 3 456.593 3.394 50 0 JGAAHM CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3S(=O)(=O)CC)cc1 ZINC000017269622 556248860 /nfs/dbraw/zinc/24/88/60/556248860.db2.gz CNTOZVALSKBBGY-UHFFFAOYSA-N -1 3 465.597 3.328 50 0 JGAAHM CCOC(=O)c1ccc(NC(=O)CSc2nc3c(cnn3-c3ccccc3OC)c(=O)[n-]2)cc1 ZINC000017306512 556254030 /nfs/dbraw/zinc/25/40/30/556254030.db2.gz BUCVYBPEROVTPH-UHFFFAOYSA-N -1 3 479.518 3.437 50 0 JGAAHM CCOc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1nc2c(C(C)(C)C)nn(C)c2c(=O)[n-]1 ZINC000017823132 556267257 /nfs/dbraw/zinc/26/72/57/556267257.db2.gz VMVZVLPMWCBOFI-UHFFFAOYSA-N -1 3 461.588 3.097 50 0 in-vitro JGAAHM O=S(=O)(c1ccccc1Cl)N1CCN(Cn2nc(-c3cccs3)[n-]c2=S)CC1 ZINC000013071798 556270133 /nfs/dbraw/zinc/27/01/33/556270133.db2.gz PZKDJMNOQODHGA-UHFFFAOYSA-N -1 3 456.018 3.287 50 0 JGAAHM COc1ccc(C(=O)[N-]n2c(=O)c3ccccc3nc2-c2cc(OC)c(OC)c(OC)c2)c(OC)c1 ZINC000027527491 556288075 /nfs/dbraw/zinc/28/80/75/556288075.db2.gz RIJBZFXNYNIIMP-UHFFFAOYSA-N -1 3 491.500 3.490 50 0 JGAAHM O=C([C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F)N1CCN(Cc2cccs2)CC1 ZINC000013102851 556304212 /nfs/dbraw/zinc/30/42/12/556304212.db2.gz WEAQBLDMKLPBMP-JOCHJYFZSA-N -1 3 487.622 3.121 50 0 JGAAHM CN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F ZINC000013102855 556304249 /nfs/dbraw/zinc/30/42/49/556304249.db2.gz GYLMKBGVNPIZKA-HXUWFJFHSA-N -1 3 470.522 3.103 50 0 JGAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@H]3CN(CC(C)C)CCO3)cc2)c1 ZINC000018202014 556308932 /nfs/dbraw/zinc/30/89/32/556308932.db2.gz VZNSERRQGHTEHI-QFIPXVFZSA-N -1 3 459.612 3.191 50 0 JGAAHM C[C@@]1(CSc2ccccc2C(=O)O[C@H](C(=O)N2CCCCC2)c2ccccc2)NC(=O)[N-]C1=O ZINC000028063868 556315258 /nfs/dbraw/zinc/31/52/58/556315258.db2.gz GASBJYSCVWHRIW-CPJSRVTESA-N -1 3 481.574 3.287 50 0 JGAAHM C[C@@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)C1=O ZINC000013114788 556320807 /nfs/dbraw/zinc/32/08/07/556320807.db2.gz QJZRRMWTKJEDLH-QHCPKHFHSA-N -1 3 454.914 3.055 50 0 JGAAHM O=C([O-])[C@H](c1c[nH]c2cc(Br)ccc21)N1CCN(c2ncc(Br)cn2)CC1 ZINC000032093828 556415017 /nfs/dbraw/zinc/41/50/17/556415017.db2.gz SCSSWCATWGHHDR-INIZCTEOSA-N -1 3 495.175 3.431 50 0 JGAAHM COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000032747398 556484444 /nfs/dbraw/zinc/48/44/44/556484444.db2.gz HJTKFKNWUPRLIM-UHFFFAOYSA-N -1 3 451.548 3.295 50 0 JGAAHM COc1cc(CN(C(=O)CCn2[n-]c(=O)c3ccccc3c2=O)C2CC2)ccc1OC(F)F ZINC000032772482 556490110 /nfs/dbraw/zinc/49/01/10/556490110.db2.gz HYEHEAWZCXUSES-UHFFFAOYSA-N -1 3 459.449 3.293 50 0 JGAAHM CN(Cc1ccccc1Br)C(=O)CN1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000032797420 556496657 /nfs/dbraw/zinc/49/66/57/556496657.db2.gz LVIGHMQBZSUYFW-UHFFFAOYSA-N -1 3 460.372 3.464 50 0 JGAAHM CCOCCCNC(=O)c1cnc2ccc(S(=O)(=O)N(C)c3c(C)cccc3C)cc2c1[O-] ZINC000006181355 569588461 /nfs/dbraw/zinc/58/84/61/569588461.db2.gz NDOMAZDRKVBDIY-UHFFFAOYSA-N -1 3 471.579 3.126 50 0 JGAAHM CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc([O-])c(I)c2)N3)C1 ZINC000008722352 569598949 /nfs/dbraw/zinc/59/89/49/569598949.db2.gz SZJNHFHNQLWKCH-OAHLLOKOSA-N -1 3 499.330 3.427 50 0 JGAAHM CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1nnc(SCc2ccc(Cl)cc2)[n-]1 ZINC000032988006 569609878 /nfs/dbraw/zinc/60/98/78/569609878.db2.gz ZABOEJOKEKZGQB-QGZVFWFLSA-N -1 3 477.999 3.075 50 0 JGAAHM CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1nc(SCc2ccc(Cl)cc2)n[n-]1 ZINC000032988006 569609881 /nfs/dbraw/zinc/60/98/81/569609881.db2.gz ZABOEJOKEKZGQB-QGZVFWFLSA-N -1 3 477.999 3.075 50 0 JGAAHM CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1n[n-]c(SCc2ccc(Cl)cc2)n1 ZINC000032988006 569609882 /nfs/dbraw/zinc/60/98/82/569609882.db2.gz ZABOEJOKEKZGQB-QGZVFWFLSA-N -1 3 477.999 3.075 50 0 JGAAHM CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(OC)c(Cl)c4)cc32)no1 ZINC000064450693 569617242 /nfs/dbraw/zinc/61/72/42/569617242.db2.gz VEQNGJMHJOYNHZ-UHFFFAOYSA-N -1 3 478.914 3.020 50 0 JGAAHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(Cc2noc(C4CC4)n2)C(=O)CO3)c(C)c1 ZINC000064450734 569617277 /nfs/dbraw/zinc/61/72/77/569617277.db2.gz ZLVZELSYBFOKNJ-UHFFFAOYSA-N -1 3 454.508 3.290 50 0 JGAAHM O=C1COc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2N1Cc1noc(C2CCC2)n1 ZINC000064450747 569617280 /nfs/dbraw/zinc/61/72/80/569617280.db2.gz IQHJNYDTGMARFR-UHFFFAOYSA-N -1 3 458.471 3.203 50 0 JGAAHM O=C(NCCN1CCCC1)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000064611683 569623083 /nfs/dbraw/zinc/62/30/83/569623083.db2.gz KIWQZCACPZUEAI-GOSISDBHSA-N -1 3 451.596 3.080 50 0 JGAAHM CCc1nc2ccccc2c(=O)n1Cc1noc([C@H]([N-]S(=O)(=O)c2ccc(C)cc2)C(C)C)n1 ZINC000064867548 569639929 /nfs/dbraw/zinc/63/99/29/569639929.db2.gz VESGEWZOTDWYPE-JOCHJYFZSA-N -1 3 481.578 3.374 50 0 JGAAHM COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H]2c2nnc(C(=O)[N-]c3ccccc3F)s2)c1 ZINC000064941767 569647737 /nfs/dbraw/zinc/64/77/37/569647737.db2.gz 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JGAAHM CCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)nc1 ZINC000065063386 569656457 /nfs/dbraw/zinc/65/64/57/569656457.db2.gz NXUYWOVXKSEFRE-UHFFFAOYSA-N -1 3 454.508 3.383 50 0 JGAAHM COc1ccccc1CN1CCc2nc(SCC(=O)N3CCc4ccccc43)[n-]c(=O)c2C1 ZINC000067291403 569685606 /nfs/dbraw/zinc/68/56/06/569685606.db2.gz SALSYDAJUHVXRY-UHFFFAOYSA-N -1 3 462.575 3.431 50 0 JGAAHM NC(=O)C1(N2CCCCC2)CCN(c2ccc(NC(=O)c3ccc(F)cc3)c(C(=O)[O-])c2)CC1 ZINC000035422622 569692757 /nfs/dbraw/zinc/69/27/57/569692757.db2.gz NXVQMKNYWIOTQM-UHFFFAOYSA-N -1 3 468.529 3.086 50 0 JGAAHM O=C([O-])[C@H](CC(=O)Nc1ccc(F)cc1)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000071281964 569696075 /nfs/dbraw/zinc/69/60/75/569696075.db2.gz NCTYLFNYQFYIDT-CQSZACIVSA-N -1 3 454.424 3.091 50 0 JGAAHM Cc1nc(CN2C(=O)COc3cc(S(=O)(=O)[N-]CCC4=CCCCC4)c(Cl)cc32)no1 ZINC000035513010 569698656 /nfs/dbraw/zinc/69/86/56/569698656.db2.gz HVIGUIJCGBROPS-UHFFFAOYSA-N -1 3 466.947 3.126 50 0 JGAAHM 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CCOc1ccc(NC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccc(OC)cc2)cc1 ZINC000008661928 521067470 /nfs/dbraw/zinc/06/74/70/521067470.db2.gz VOBOSNBNCCFJFN-UHFFFAOYSA-N -1 3 451.508 3.247 50 0 JGAAHM CCOc1ccc(NC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccc(OC)cc2)cc1 ZINC000008661928 521067482 /nfs/dbraw/zinc/06/74/82/521067482.db2.gz VOBOSNBNCCFJFN-UHFFFAOYSA-N -1 3 451.508 3.247 50 0 JGAAHM CCCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N[C@H](C)CC)ccc2N2CCNCC2)cc1 ZINC000033034045 521411903 /nfs/dbraw/zinc/41/19/03/521411903.db2.gz LQWYLONQAKGTJA-GOSISDBHSA-N -1 3 458.628 3.378 50 0 JGAAHM CN(C)[C@H](CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1)c1cccs1 ZINC000021763036 522083057 /nfs/dbraw/zinc/08/30/57/522083057.db2.gz LGXIDLXCRNZIMI-LJQANCHMSA-N -1 3 487.603 3.353 50 0 JGAAHM CN(C)[C@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)c1cccs1 ZINC000023968098 522083970 /nfs/dbraw/zinc/08/39/70/522083970.db2.gz AWLQXPGOQYHDCV-LJQANCHMSA-N -1 3 487.603 3.353 50 0 JGAAHM CC[C@@H](C)NC(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000033034038 522214715 /nfs/dbraw/zinc/21/47/15/522214715.db2.gz WXUIBMWRUMYQJJ-CQSZACIVSA-N -1 3 468.982 3.218 50 0 JGAAHM COC[C@@H](O)CN(Cc1ccco1)Cc1nc(=O)c2c3c(sc2[n-]1)CN(Cc1ccccc1)CC3 ZINC000036155912 522399295 /nfs/dbraw/zinc/39/92/95/522399295.db2.gz NDSRIBHNFMQNBT-IBGZPJMESA-N -1 3 494.617 3.145 50 0 JGAAHM COC(=O)c1sc2[n-]c(CN(Cc3ccccc3)C[C@@H](O)COCC(C)C)nc(=O)c2c1C ZINC000036206935 522436160 /nfs/dbraw/zinc/43/61/60/522436160.db2.gz TUGTTWISRWKUDP-GOSISDBHSA-N -1 3 473.595 3.115 50 0 JGAAHM COc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(C)cc2)cc(OC)c1OC ZINC000012291693 522930161 /nfs/dbraw/zinc/93/01/61/522930161.db2.gz ZKMICTNUHTWXHY-XGHQBKJUSA-N -1 3 468.428 3.125 50 0 JGAAHM CCn1c(SCC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)nnc1-c1ccco1 ZINC000048236850 523218527 /nfs/dbraw/zinc/21/85/27/523218527.db2.gz VXLWQAHAYNSHOZ-UHFFFAOYSA-N -1 3 455.540 3.233 50 0 JGAAHM CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccnc2)c1 ZINC000008721273 523277180 /nfs/dbraw/zinc/27/71/80/523277180.db2.gz ISGBTGWHDAJXIZ-UHFFFAOYSA-N -1 3 487.965 3.257 50 0 JGAAHM COc1ccc(-n2c(=O)[n-]c(=O)c3c2NC(c2ccncc2)=NC3(C(F)(F)F)C(F)(F)F)cc1 ZINC000008846783 523309081 /nfs/dbraw/zinc/30/90/81/523309081.db2.gz RFTCCEKJTDMAJK-UHFFFAOYSA-N -1 3 485.344 3.122 50 0 JGAAHM CN(Cc1ccccc1)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1N1CCNCC1 ZINC000033121094 523337852 /nfs/dbraw/zinc/33/78/52/523337852.db2.gz FRSKBISTMOFFGL-UHFFFAOYSA-N -1 3 470.620 3.231 50 0 JGAAHM CN(Cc1ccccc1)C(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000033033913 523338742 /nfs/dbraw/zinc/33/87/42/523338742.db2.gz CZVZIZWISHEIEL-UHFFFAOYSA-N -1 3 464.591 3.169 50 0 JGAAHM COCCCNC(=O)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000065074505 523368141 /nfs/dbraw/zinc/36/81/41/523368141.db2.gz VCHJIFNPRVXROM-UHFFFAOYSA-N -1 3 498.561 3.399 50 0 JGAAHM CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCC[C@H](C)C3)ccc2N2CCNCC2)cc1 ZINC000033033471 524015301 /nfs/dbraw/zinc/01/53/01/524015301.db2.gz FXERTSJXCGKQJM-IBGZPJMESA-N -1 3 470.639 3.332 50 0 JGAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cnc(N3CCNCC3)c(C(=O)N3CCCC[C@@H]3C)c2)c(C)c1 ZINC000035514049 524327365 /nfs/dbraw/zinc/32/73/65/524327365.db2.gz NXLGYSBRKJHZKX-FQEVSTJZSA-N -1 3 485.654 3.232 50 0 JGAAHM Cc1cccc(CNC(=O)c2ccc(N3CCNCC3)c([N-]S(=O)(=O)c3ccccc3F)c2)c1 ZINC000033034375 524428234 /nfs/dbraw/zinc/42/82/34/524428234.db2.gz WNRYSCIMINXKMW-UHFFFAOYSA-N -1 3 482.581 3.275 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)ccc2C)cc1 ZINC000014071275 524688627 /nfs/dbraw/zinc/68/86/27/524688627.db2.gz YAMUCLUFYZJDMQ-NHCUHLMSSA-N -1 3 497.573 3.084 50 0 JGAAHM COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)[N-]c3ccccc3F)s2)c1 ZINC000064941763 524875340 /nfs/dbraw/zinc/87/53/40/524875340.db2.gz MQHARVRYIUZITA-MRXNPFEDSA-N -1 3 492.554 3.473 50 0 JGAAHM COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)[N-]c3ccccc3F)s2)cc1 ZINC000064941676 525031564 /nfs/dbraw/zinc/03/15/64/525031564.db2.gz BZBHAWHLDGHAKH-QGZVFWFLSA-N -1 3 462.528 3.464 50 0 JGAAHM COc1ccc(S(=O)(=O)N2CCC[C@H]2c2nnc(C(=O)[N-]c3ccccc3F)s2)cc1OC ZINC000064941775 525033667 /nfs/dbraw/zinc/03/36/67/525033667.db2.gz HKMKWCBWFQAGGQ-INIZCTEOSA-N -1 3 492.554 3.473 50 0 JGAAHM CS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2sc3c(c2C(=O)NCc2ccco2)CCCC3)n1 ZINC000016751801 525283071 /nfs/dbraw/zinc/28/30/71/525283071.db2.gz PCGCDSLGIBBIHM-UHFFFAOYSA-N -1 3 494.982 3.249 50 0 JGAAHM C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)[N-]n3cnc4ccc(Cl)cc4c3=O)c2)C1 ZINC000016263799 525387413 /nfs/dbraw/zinc/38/74/13/525387413.db2.gz GBPCDSYCKXIFHU-GASCZTMLSA-N -1 3 474.970 3.100 50 0 JGAAHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCC(C)C)ccc2N2CCNCC2)cc1Cl ZINC000033034351 525591296 /nfs/dbraw/zinc/59/12/96/525591296.db2.gz SLCIHVGTFKBXIR-UHFFFAOYSA-N -1 3 465.019 3.245 50 0 JGAAHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3ccccc3)ccc2N2CCNCC2)cc1C ZINC000033033879 525592957 /nfs/dbraw/zinc/59/29/57/525592957.db2.gz UGBSFBVMKWBIKF-UHFFFAOYSA-N -1 3 478.618 3.444 50 0 JGAAHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3cccc(C)c3)ccc2N2CCNCC2)cc1 ZINC000033034363 525592975 /nfs/dbraw/zinc/59/29/75/525592975.db2.gz WVIYWFOWGBKBML-UHFFFAOYSA-N -1 3 478.618 3.444 50 0 JGAAHM COc1cccc(CN2CCc3nc(SCC(=O)Nc4cc(OC)ccc4OC)[n-]c(=O)c3C2)c1 ZINC000033331810 525953911 /nfs/dbraw/zinc/95/39/11/525953911.db2.gz OGGMWGIILYNANX-UHFFFAOYSA-N -1 3 496.589 3.497 50 0 JGAAHM Cc1ccc(C=CS(=O)(=O)[N-]CC(=O)OCC(=O)c2ccc(Br)s2)cc1 ZINC000035681675 525963524 /nfs/dbraw/zinc/96/35/24/525963524.db2.gz KETSCANFJNSMJI-HJWRWDBZSA-N -1 3 458.355 3.135 50 0 JGAAHM C[C@H](c1nnc(SCC(=O)Nc2cc(Cl)ccc2[O-])n1C)N1C(=O)COc2ccccc21 ZINC000021723379 526190060 /nfs/dbraw/zinc/19/00/60/526190060.db2.gz PSKTVDAPYMBJGP-GFCCVEGCSA-N -1 3 473.942 3.392 50 0 JGAAHM O=C(c1cccc(-c2noc(C[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)c1)N1CCCCC1 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CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1 ZINC000009335849 555103468 /nfs/dbraw/zinc/10/34/68/555103468.db2.gz NXZDNKBGAQUWBW-FQEVSTJZSA-N -1 3 488.997 3.255 50 0 JGAAHM C[C@@H](Sc1nnc([C@H]2COc3ccccc3O2)n1C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000009352281 555117735 /nfs/dbraw/zinc/11/77/35/555117735.db2.gz PVTPILAAPCDYIZ-FZKQIMNGSA-N -1 3 474.564 3.063 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc4c(c3)OCO4)c(C)c2)cc1 ZINC000009356512 555121747 /nfs/dbraw/zinc/12/17/47/555121747.db2.gz ZACPJRZZRZKYSL-UHFFFAOYSA-N -1 3 484.530 3.228 50 0 JGAAHM Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000009365062 555125507 /nfs/dbraw/zinc/12/55/07/555125507.db2.gz IIWKQSHNQGFZJP-CYBMUJFWSA-N -1 3 487.632 3.050 50 0 JGAAHM CC(=O)Nc1ccc(-c2csc(NC(=O)CC[N-]S(=O)(=O)c3ccccc3F)n2)cc1 ZINC000009386078 555148931 /nfs/dbraw/zinc/14/89/31/555148931.db2.gz KDAVPKXNDZSRHS-UHFFFAOYSA-N -1 3 462.528 3.215 50 0 JGAAHM CC[C@H](Sc1nnnn1-c1ccccc1)C(=O)[N-]C1=NN=C(c2ccc(C)cc2)CS1 ZINC000009408701 555171574 /nfs/dbraw/zinc/17/15/74/555171574.db2.gz GYFINYNELYCNQR-SFHVURJKSA-N -1 3 451.581 3.465 50 0 JGAAHM COc1cc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCO)cc(Br)c1[O-] ZINC000009409205 555173669 /nfs/dbraw/zinc/17/36/69/555173669.db2.gz CZNPKJYLNOONJI-LJQANCHMSA-N -1 3 474.311 3.187 50 0 JGAAHM CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2cccc3c2C(=O)[N-]C3=O)cc1 ZINC000009445449 555218484 /nfs/dbraw/zinc/21/84/84/555218484.db2.gz FPRGELSAIIICFG-UHFFFAOYSA-N -1 3 457.552 3.413 50 0 JGAAHM O=C(CC[N-]S(=O)(=O)c1cccs1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000009468544 555248421 /nfs/dbraw/zinc/24/84/21/555248421.db2.gz OQBDEQWPRBZDNJ-IBGZPJMESA-N -1 3 454.577 3.393 50 0 JGAAHM O=C(CCC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(O)cc2)CC1 ZINC000009469823 555252753 /nfs/dbraw/zinc/25/27/53/555252753.db2.gz MCMRVAMHTAEGAK-UHFFFAOYSA-N -1 3 472.394 3.106 50 0 JGAAHM COCCn1c(N)c(N(Cc2ccccc2)C(=O)C2CCC(C(C)(C)C)CC2)c(=O)[n-]c1=O ZINC000009491590 555269388 /nfs/dbraw/zinc/26/93/88/555269388.db2.gz BUNHDBNPAFNPRP-UHFFFAOYSA-N -1 3 456.587 3.151 50 0 JGAAHM CS(=O)(=O)[N-]c1cccc(C(=O)OCc2cc(=O)oc3cc(Br)ccc23)c1 ZINC000009507409 555291771 /nfs/dbraw/zinc/29/17/71/555291771.db2.gz CYOWOSKODZJCCR-UHFFFAOYSA-N -1 3 452.282 3.284 50 0 JGAAHM COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000009514445 555304915 /nfs/dbraw/zinc/30/49/15/555304915.db2.gz GPSGWUFRAZECTD-UHFFFAOYSA-N -1 3 456.549 3.428 50 0 JGAAHM Cc1noc(C)c1COc1cccc(C(=O)[N-]N2C(=O)N[C@](C)(CCc3ccccc3)C2=O)c1 ZINC000009550391 555349139 /nfs/dbraw/zinc/34/91/39/555349139.db2.gz NNGXKGLBSLFBEO-RUZDIDTESA-N -1 3 462.506 3.459 50 0 JGAAHM Cc1ccccc1N(CC(=O)Nc1nnc(SCc2ccc(Cl)cc2)[n-]1)S(C)(=O)=O ZINC000009671351 555390572 /nfs/dbraw/zinc/39/05/72/555390572.db2.gz GVVSZMVJCBLWAI-UHFFFAOYSA-N -1 3 465.988 3.464 50 0 JGAAHM Cc1ccccc1N(CC(=O)Nc1nc(SCc2ccc(Cl)cc2)n[n-]1)S(C)(=O)=O ZINC000009671351 555390573 /nfs/dbraw/zinc/39/05/73/555390573.db2.gz GVVSZMVJCBLWAI-UHFFFAOYSA-N -1 3 465.988 3.464 50 0 JGAAHM Cc1ccccc1N(CC(=O)Nc1n[n-]c(SCc2ccc(Cl)cc2)n1)S(C)(=O)=O ZINC000009671351 555390576 /nfs/dbraw/zinc/39/05/76/555390576.db2.gz GVVSZMVJCBLWAI-UHFFFAOYSA-N -1 3 465.988 3.464 50 0 JGAAHM CCC(=O)N(c1nnc(S[C@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)s1)C1CC1 ZINC000009672335 555394138 /nfs/dbraw/zinc/39/41/38/555394138.db2.gz IRRNWTSPMKZOPG-LLVKDONJSA-N -1 3 454.599 3.179 50 0 JGAAHM CN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000009595230 555411592 /nfs/dbraw/zinc/41/15/92/555411592.db2.gz DWYXRJJHRQRAEO-UHFFFAOYSA-N -1 3 457.335 3.435 50 0 JGAAHM C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1)c1ccc(-n2ccnc2)cc1 ZINC000009596694 555413361 /nfs/dbraw/zinc/41/33/61/555413361.db2.gz QVAOWJCMXSICOZ-OXQOHEQNSA-N -1 3 488.997 3.474 50 0 JGAAHM C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1)c1ccc(-n2ccnc2)cc1 ZINC000009596693 555413433 /nfs/dbraw/zinc/41/34/33/555413433.db2.gz QVAOWJCMXSICOZ-OXJNMPFZSA-N -1 3 488.997 3.474 50 0 JGAAHM C[C@@H](NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000009692493 555419994 /nfs/dbraw/zinc/41/99/94/555419994.db2.gz GOFHVGGJWGZKNS-OXQOHEQNSA-N -1 3 466.588 3.458 50 0 JGAAHM COC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccc3nsnc32)cc1 ZINC000009692568 555420433 /nfs/dbraw/zinc/42/04/33/555420433.db2.gz FPLXMHYROHMNFF-IBGZPJMESA-N -1 3 496.570 3.006 50 0 JGAAHM Cc1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[n-]c(=O)c1Cc1ccc(Br)cc1 ZINC000009698248 555425487 /nfs/dbraw/zinc/42/54/87/555425487.db2.gz JNAORNBGZSWMPA-UHFFFAOYSA-N -1 3 497.393 3.483 50 0 JGAAHM CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000009725015 555457986 /nfs/dbraw/zinc/45/79/86/555457986.db2.gz BQBZZHPYJAXSQX-UHFFFAOYSA-N -1 3 466.519 3.476 50 0 JGAAHM Cc1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[n-]c(=O)c1Cc1ccccc1Cl ZINC000013611355 555534321 /nfs/dbraw/zinc/53/43/21/555534321.db2.gz SWYJLFHIURQQIG-UHFFFAOYSA-N -1 3 452.942 3.373 50 0 JGAAHM CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1)S(C)(=O)=O ZINC000009850225 555552653 /nfs/dbraw/zinc/55/26/53/555552653.db2.gz GPARVGLVHTVZBI-UHFFFAOYSA-N -1 3 477.539 3.275 50 0 JGAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C(=O)C3ON2c2ccccc2)ccc1O ZINC000013659875 555555917 /nfs/dbraw/zinc/55/59/17/555555917.db2.gz RMGGVRKIYNZARK-VSKRKVRLSA-N -1 3 460.442 3.150 50 0 JGAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)COc2cc(C(F)(F)F)nn2-c2ccc(C)cc2)N1 ZINC000013959759 555662733 /nfs/dbraw/zinc/66/27/33/555662733.db2.gz IWNCDTLGYIALLV-INIZCTEOSA-N -1 3 450.339 3.437 50 0 JGAAHM COc1ccc([C@@H](C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)N2CCOCC2)cc1OC ZINC000014084635 555683567 /nfs/dbraw/zinc/68/35/67/555683567.db2.gz NHIWKOFQHCQYEW-GOSISDBHSA-N -1 3 475.394 3.362 50 0 JGAAHM COc1ccc(-c2ccc(OCC[N-]S(=O)(=O)c3cc(Br)ccc3OC)nn2)cc1 ZINC000010324551 555683742 /nfs/dbraw/zinc/68/37/42/555683742.db2.gz SDCQDJXFCJGQIT-UHFFFAOYSA-N -1 3 494.367 3.281 50 0 JGAAHM CCOc1ccc(CN2C(=O)[C@]3(SC([N-]C(C)=O)=NN3C(C)=O)c3cc(C)cc(C)c32)cc1 ZINC000010335628 555690773 /nfs/dbraw/zinc/69/07/73/555690773.db2.gz HJGDZXOOSRMPCD-XMMPIXPASA-N -1 3 466.563 3.404 50 0 JGAAHM CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000014118903 555693624 /nfs/dbraw/zinc/69/36/24/555693624.db2.gz AHFNSQXLBPHHIM-LJQANCHMSA-N -1 3 451.914 3.139 50 0 JGAAHM C[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000010447301 555713926 /nfs/dbraw/zinc/71/39/26/555713926.db2.gz ZGORWIGBFZNQCU-HNNXBMFYSA-N -1 3 483.512 3.250 50 0 JGAAHM Cc1c(C)c(C)c(S(=O)(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c(C)c1C ZINC000010680353 555732351 /nfs/dbraw/zinc/73/23/51/555732351.db2.gz ULXGGHXYIWJEGH-UHFFFAOYSA-N -1 3 456.655 3.422 50 0 JGAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(C)CC(=O)Nc1cccc2ccccc21 ZINC000014230482 555737083 /nfs/dbraw/zinc/73/70/83/555737083.db2.gz GTDQZPXQMIAOIH-OAQYLSRUSA-N -1 3 459.593 3.301 50 0 JGAAHM O=C(c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000014242378 555744055 /nfs/dbraw/zinc/74/40/55/555744055.db2.gz IVRPJCZXOVZMLR-UHFFFAOYSA-N -1 3 491.038 3.348 50 0 JGAAHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCOCC4)nn3)cc2)cc1C ZINC000011025670 555754612 /nfs/dbraw/zinc/75/46/12/555754612.db2.gz CPICRQNZWUADAA-UHFFFAOYSA-N -1 3 454.552 3.406 50 0 JGAAHM Cc1cc(NC(=O)CC[N-]S(=O)(=O)c2ccccc2C(F)(F)F)ccc1N1CCCC1=O ZINC000011744142 555807937 /nfs/dbraw/zinc/80/79/37/555807937.db2.gz SFMFREATKCYSBO-UHFFFAOYSA-N -1 3 469.485 3.448 50 0 JGAAHM Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)[N-]c1ccc(N2CCC(C)CC2)cc1 ZINC000011858115 555837302 /nfs/dbraw/zinc/83/73/02/555837302.db2.gz PPMRDJMHRAQCFJ-UHFFFAOYSA-N -1 3 477.608 3.099 50 0 JGAAHM Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)[N-]c1ccc(N2CCCCC2)cc1 ZINC000011904814 555853013 /nfs/dbraw/zinc/85/30/13/555853013.db2.gz OWLFQMFLNYSAQF-UHFFFAOYSA-N -1 3 477.608 3.161 50 0 JGAAHM Cc1cc([N-]S(=O)(=O)c2c(C)cc(N3C(=O)CCS3(=O)=O)cc2C)ccc1Br ZINC000011906453 555854467 /nfs/dbraw/zinc/85/44/67/555854467.db2.gz RPXHKASFGFOEMI-UHFFFAOYSA-N -1 3 487.397 3.242 50 0 JGAAHM CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000022044385 555865884 /nfs/dbraw/zinc/86/58/84/555865884.db2.gz CIEMWDZQEXKOMP-LBPRGKRZSA-N -1 3 473.334 3.045 50 0 JGAAHM O=C(NCCc1nnc2ccccn21)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000011915297 555866500 /nfs/dbraw/zinc/86/65/00/555866500.db2.gz FGTAKFQJGVTFNT-UHFFFAOYSA-N -1 3 473.917 3.295 50 0 JGAAHM COc1cccc(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)c1 ZINC000015471031 555910149 /nfs/dbraw/zinc/91/01/49/555910149.db2.gz OULDJNMAHPOPKM-UHFFFAOYSA-N -1 3 471.510 3.346 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cccc(S(C)(=O)=O)c3)ccc2C)cc1 ZINC000015509607 555912125 /nfs/dbraw/zinc/91/21/25/555912125.db2.gz LPMDSAOTTQKELZ-UHFFFAOYSA-N -1 3 474.560 3.460 50 0 JGAAHM O=C(Nc1ccccc1)C1CC(=O)Nc2nc(N3CCC(Cc4ccccc4)CC3)[n-]c(=O)c21 ZINC000012390852 555973711 /nfs/dbraw/zinc/97/37/11/555973711.db2.gz FDUOKVLFWBMISB-HXUWFJFHSA-N -1 3 457.534 3.294 50 0 JGAAHM C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000012527582 555996021 /nfs/dbraw/zinc/99/60/21/555996021.db2.gz IHESCOZGWDHRFX-CYBMUJFWSA-N -1 3 452.561 3.250 50 0 JGAAHM COc1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2)N(C)C)cc1 ZINC000012532518 556002899 /nfs/dbraw/zinc/00/28/99/556002899.db2.gz OJJPGQKPEBWMCJ-JOCHJYFZSA-N -1 3 497.573 3.257 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)S1 ZINC000015832925 556018019 /nfs/dbraw/zinc/01/80/19/556018019.db2.gz XYVRXPUDKBGBOS-KRWDZBQOSA-N -1 3 498.380 3.218 50 0 JGAAHM CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2ccc(OC)c(Br)c2)CC1 ZINC000012548423 556026263 /nfs/dbraw/zinc/02/62/63/556026263.db2.gz YIYGGRRAYHLKID-UHFFFAOYSA-N -1 3 454.390 3.400 50 0 JGAAHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000015865775 556042206 /nfs/dbraw/zinc/04/22/06/556042206.db2.gz CWWLWUSIAVKMLL-UHFFFAOYSA-N -1 3 491.585 3.238 50 0 JGAAHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCN(Cc4ccco4)CC3)c2)cc1 ZINC000012557248 556044859 /nfs/dbraw/zinc/04/48/59/556044859.db2.gz QLIIFCLPUJGMOY-UHFFFAOYSA-N -1 3 469.563 3.437 50 0 JGAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCCCN4CCCC4=O)CC3)cc2)cc1 ZINC000015869425 556048754 /nfs/dbraw/zinc/04/87/54/556048754.db2.gz ZPGDUMPPTQXRIA-UHFFFAOYSA-N -1 3 485.606 3.046 50 0 JGAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@H](CC(C)C)N3CCOCC3)cc2)cc1 ZINC000012560660 556053061 /nfs/dbraw/zinc/05/30/61/556053061.db2.gz UDVFXOJPWULYAZ-QFIPXVFZSA-N -1 3 489.638 3.363 50 0 JGAAHM C[C@H](Sc1nc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C1CC1)C(=O)N(C)Cc1ccccc1 ZINC000023561263 556078497 /nfs/dbraw/zinc/07/84/97/556078497.db2.gz WJQBCAWLMLQHMU-ZDUSSCGKSA-N -1 3 451.552 3.244 50 0 JGAAHM 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3.284 50 0 JGAAHM Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)N(Cc1noc(C3CCC3)n1)C(=O)CO2 ZINC000064605688 569622677 /nfs/dbraw/zinc/62/26/77/569622677.db2.gz IZCDLGYYNLRGIB-UHFFFAOYSA-N -1 3 454.508 3.372 50 0 JGAAHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(C)nc(N4CCOCC4)n3)cc2)cc1 ZINC000064801948 569631595 /nfs/dbraw/zinc/63/15/95/569631595.db2.gz QUZRMCDMJYKYAU-UHFFFAOYSA-N -1 3 482.566 3.124 50 0 JGAAHM CCCCN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cnc1N1CCNCC1 ZINC000065025210 569650293 /nfs/dbraw/zinc/65/02/93/569650293.db2.gz WACZWTCXCMAECX-UHFFFAOYSA-N -1 3 485.654 3.043 50 0 JGAAHM Cc1ccc(S(=O)(=O)[N-]c2cnc(N3CCNCC3)c(C(=O)NC3CCCCCC3)c2)c(C)c1 ZINC000065025218 569650551 /nfs/dbraw/zinc/65/05/51/569650551.db2.gz RKVLJKOOLZTGGY-UHFFFAOYSA-N -1 3 485.654 3.361 50 0 JGAAHM O=C(c1nnc(-c2csc(S(=O)(=O)[N-]Cc3ccc(Br)cc3)c2)o1)N1CCCC1 ZINC000065098892 569661938 /nfs/dbraw/zinc/66/19/38/569661938.db2.gz GJYFDPVYADYVBC-UHFFFAOYSA-N -1 3 497.396 3.275 50 0 JGAAHM Cc1noc(C)c1S(=O)(=O)N1CCN([C@@H](C)c2nc(=O)c3c(-c4ccccc4)csc3[n-]2)CC1 ZINC000035343765 569681387 /nfs/dbraw/zinc/68/13/87/569681387.db2.gz GAGJSDDMLPTKKQ-HNNXBMFYSA-N -1 3 499.618 3.324 50 0 JGAAHM CCCCCCC(=O)N1CCN(c2nc(CN3CCN(c4ccccc4C)CC3)cc(=O)[n-]2)CC1 ZINC000035926433 569729586 /nfs/dbraw/zinc/72/95/86/569729586.db2.gz DOJWLGMNAWSDML-UHFFFAOYSA-N -1 3 480.657 3.020 50 0 JGAAHM CCCCCCC(=O)N1CCN(c2nc(CN3CCN(c4ccc(C)c(C)c4)CC3)cc(=O)[n-]2)CC1 ZINC000035926651 569729752 /nfs/dbraw/zinc/72/97/52/569729752.db2.gz FPQTWFHSSODXGL-UHFFFAOYSA-N -1 3 494.684 3.328 50 0 JGAAHM COc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCSCC2)c(OC)c1OC ZINC000096116715 569735448 /nfs/dbraw/zinc/73/54/48/569735448.db2.gz YITQPUVNRXGZIB-GOSISDBHSA-N -1 3 451.570 3.457 50 0 JGAAHM CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2cc3cc4c(cc3[nH]c2=O)OCCO4)CCO1 ZINC000096117482 569735815 /nfs/dbraw/zinc/73/58/15/569735815.db2.gz XZERLLXXMSJKRN-ZUOKHONESA-N -1 3 498.561 3.106 50 0 JGAAHM COc1ccc2[nH]c(=O)c([C@H]3SCC(=O)Nc4c3c(=O)[n-]n4C3CCSCC3)cc2c1 ZINC000096118210 569735969 /nfs/dbraw/zinc/73/59/69/569735969.db2.gz IPKHHNLTAHLGTK-GOSISDBHSA-N -1 3 458.565 3.282 50 0 JGAAHM COc1cc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)cc2c1OCCO2 ZINC000096223811 569739844 /nfs/dbraw/zinc/73/98/44/569739844.db2.gz UDGZDXHNEJXCPR-DJJJIMSYSA-N -1 3 461.540 3.273 50 0 JGAAHM CCOC(=O)c1[n-]n(-c2ccccc2C)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000100945883 569777320 /nfs/dbraw/zinc/77/73/20/569777320.db2.gz QSOQWRZUCZCCMM-FUHWJXTLSA-N -1 3 456.296 3.055 50 0 JGAAHM Cc1ccc(Cc2nn3c(nnc3SCC(=O)Nc3ccccc3C(F)(F)F)[n-]c2=O)cc1 ZINC000101621256 569801766 /nfs/dbraw/zinc/80/17/66/569801766.db2.gz NNKJLJXOXRHDHN-UHFFFAOYSA-N -1 3 474.468 3.461 50 0 JGAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCc1ccc(Br)s1 ZINC000040039323 569814640 /nfs/dbraw/zinc/81/46/40/569814640.db2.gz GHOUEFLSNIITFG-CQSZACIVSA-N -1 3 451.433 3.234 50 0 JGAAHM 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COc1ccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)cc1 ZINC000046074761 569843503 /nfs/dbraw/zinc/84/35/03/569843503.db2.gz TYTHALVUIATONL-QGZVFWFLSA-N -1 3 450.520 3.444 50 0 JGAAHM COc1ccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccc(C)cc4)[n-]c(=O)c32)cc1 ZINC000046074992 569843638 /nfs/dbraw/zinc/84/36/38/569843638.db2.gz PILAVFRQXIPVFL-KRWDZBQOSA-N -1 3 450.520 3.444 50 0 JGAAHM COc1ccccc1NC(=O)C1CC(=O)Nc2nc(SCc3ccc(C)cc3)[n-]c(=O)c21 ZINC000046074980 569843725 /nfs/dbraw/zinc/84/37/25/569843725.db2.gz XWCXLBWKHPWDRX-HNNXBMFYSA-N -1 3 450.520 3.444 50 0 JGAAHM COc1cccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccccc4F)[n-]c(=O)c32)c1 ZINC000046075328 569844175 /nfs/dbraw/zinc/84/41/75/569844175.db2.gz BBCBRYVGYLCUTD-HNNXBMFYSA-N -1 3 454.483 3.274 50 0 JGAAHM COc1cccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccc(F)cc4)[n-]c(=O)c32)c1 ZINC000046075445 569844249 /nfs/dbraw/zinc/84/42/49/569844249.db2.gz HQGLEEWQLKYUMB-INIZCTEOSA-N -1 3 454.483 3.274 50 0 JGAAHM COc1ccccc1NC(=O)C1CC(=O)Nc2nc(SCc3ccc(F)cc3)[n-]c(=O)c21 ZINC000046075436 569844279 /nfs/dbraw/zinc/84/42/79/569844279.db2.gz DOHPRRJAIKQZBR-CQSZACIVSA-N -1 3 454.483 3.274 50 0 JGAAHM O=C(Nc1cc(F)ccc1F)C1CC(=O)Nc2nc(SCCc3ccccc3)[n-]c(=O)c21 ZINC000046075784 569844353 /nfs/dbraw/zinc/84/43/53/569844353.db2.gz JJIUMXOAZIZBDS-AWEZNQCLSA-N -1 3 456.474 3.447 50 0 JGAAHM CCOc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000051316454 569850429 /nfs/dbraw/zinc/85/04/29/569850429.db2.gz QMPHDGNRLLYOLM-UHFFFAOYSA-N -1 3 481.534 3.256 50 0 JGAAHM CCOc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000051316454 569850430 /nfs/dbraw/zinc/85/04/30/569850430.db2.gz QMPHDGNRLLYOLM-UHFFFAOYSA-N -1 3 481.534 3.256 50 0 JGAAHM CCOc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)NCc2ccc(F)cc2F)cc1 ZINC000051316541 569850766 /nfs/dbraw/zinc/85/07/66/569850766.db2.gz BFVYCGJZCOSGOA-UHFFFAOYSA-N -1 3 471.489 3.194 50 0 JGAAHM CCOc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)NCc2ccc(F)cc2F)cc1 ZINC000051316541 569850767 /nfs/dbraw/zinc/85/07/67/569850767.db2.gz BFVYCGJZCOSGOA-UHFFFAOYSA-N -1 3 471.489 3.194 50 0 JGAAHM CCOc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)Nc2ccc(C(=O)OC)cc2)cc1 ZINC000051316481 569850810 /nfs/dbraw/zinc/85/08/10/569850810.db2.gz UKYGJWHCRNFHGQ-UHFFFAOYSA-N -1 3 479.518 3.025 50 0 JGAAHM CCOc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)Nc2ccc(C(=O)OC)cc2)cc1 ZINC000051316481 569850811 /nfs/dbraw/zinc/85/08/11/569850811.db2.gz UKYGJWHCRNFHGQ-UHFFFAOYSA-N -1 3 479.518 3.025 50 0 JGAAHM COc1cc(NC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccc(F)c(F)c2)cc(OC)c1 ZINC000051316778 569851050 /nfs/dbraw/zinc/85/10/50/569851050.db2.gz WOZSNZJMAWCAJE-UHFFFAOYSA-N -1 3 473.461 3.135 50 0 JGAAHM COc1cc(NC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccc(F)c(F)c2)cc(OC)c1 ZINC000051316778 569851051 /nfs/dbraw/zinc/85/10/51/569851051.db2.gz WOZSNZJMAWCAJE-UHFFFAOYSA-N -1 3 473.461 3.135 50 0 JGAAHM COc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1Cl ZINC000051316586 569851161 /nfs/dbraw/zinc/85/11/61/569851161.db2.gz QJQFXYHUXMZQSC-UHFFFAOYSA-N -1 3 499.936 3.273 50 0 JGAAHM COc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1Cl ZINC000051316586 569851162 /nfs/dbraw/zinc/85/11/62/569851162.db2.gz QJQFXYHUXMZQSC-UHFFFAOYSA-N -1 3 499.936 3.273 50 0 JGAAHM COc1cccc([C@H]2[C@@H](S(=O)(=O)[N-]Cc3cccc(C(F)(F)F)c3)CON2C)c1OC ZINC000105049227 569852518 /nfs/dbraw/zinc/85/25/18/569852518.db2.gz XIBVHUPVYFMUHK-ROUUACIJSA-N -1 3 460.474 3.129 50 0 JGAAHM COc1ccccc1N1C(=O)[C@H]2C(=C1[O-])N(C(=O)c1ccc(C)cc1)N[C@@H]2c1ccc(F)cc1 ZINC000245298238 570062895 /nfs/dbraw/zinc/06/28/95/570062895.db2.gz YRNNIFRCYLSLLR-DNVJHFABSA-N -1 3 459.477 3.403 50 0 JGAAHM O=C1C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@@H]3C2=C([O-])N1c1ccc(F)cc1 ZINC000247703669 570068808 /nfs/dbraw/zinc/06/88/08/570068808.db2.gz BRBRZCNNNUKVTD-NAVOZUGXSA-N -1 3 479.471 3.301 50 0 JGAAHM Cc1ccc(N2C(=O)C3=C(C(O)n4nnc5ccccc54)N4c5ccccc5C=C[C@@H]4C3=C2[O-])cc1 ZINC000248122667 570074617 /nfs/dbraw/zinc/07/46/17/570074617.db2.gz SMELYNXPSTVKQP-ROHNOIKCSA-N -1 3 475.508 3.470 50 0 JGAAHM CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Cl)ccc3[O-])c(=O)n2[C@H]1c1cccs1 ZINC000252677369 570093989 /nfs/dbraw/zinc/09/39/89/570093989.db2.gz YMRTVQVJQDEDTR-SFHVURJKSA-N -1 3 460.964 3.219 50 0 JGAAHM O=c1[n-]c(=O)n(Cc2ccco2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(c1cccs1)N2 ZINC000001268539 194081078 /nfs/dbraw/zinc/08/10/78/194081078.db2.gz XLYVXUJJLBLBRD-UHFFFAOYSA-N -1 3 464.347 3.432 50 0 JGAAHM CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)[n-]2)cc1 ZINC000003294746 194269452 /nfs/dbraw/zinc/26/94/52/194269452.db2.gz PBXCWFMYZSARQP-UHFFFAOYSA-N -1 3 451.961 3.253 50 0 JGAAHM CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(SCc3ccc(Cl)cc3)n[n-]2)cc1 ZINC000003294746 194269454 /nfs/dbraw/zinc/26/94/54/194269454.db2.gz PBXCWFMYZSARQP-UHFFFAOYSA-N -1 3 451.961 3.253 50 0 JGAAHM CN(C)S(=O)(=O)c1ccc(C(=O)Nc2n[n-]c(SCc3ccc(Cl)cc3)n2)cc1 ZINC000003294746 194269456 /nfs/dbraw/zinc/26/94/56/194269456.db2.gz PBXCWFMYZSARQP-UHFFFAOYSA-N -1 3 451.961 3.253 50 0 JGAAHM COc1ccccc1C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCCO2)c(Cl)cc1Cl ZINC000003441247 194325352 /nfs/dbraw/zinc/32/53/52/194325352.db2.gz HBIDNHBZIKHADY-CQSZACIVSA-N -1 3 473.378 3.389 50 0 JGAAHM COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCOc2ccccc2)cc(Br)c1[O-] ZINC000004083958 194376226 /nfs/dbraw/zinc/37/62/26/194376226.db2.gz AUUUGQXRYKBRHV-SFHVURJKSA-N -1 3 477.311 3.413 50 0 JGAAHM O=C(CCC[N-]S(=O)(=O)c1cccs1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000004734524 194394613 /nfs/dbraw/zinc/39/46/13/194394613.db2.gz PCACJEBYIYGMPD-UHFFFAOYSA-N -1 3 461.531 3.174 50 0 JGAAHM Cc1ccc(-c2cc([N-]C(=O)CN3CCCN(S(=O)(=O)c4ccc(F)cc4)CC3)on2)cc1 ZINC000009862863 195002326 /nfs/dbraw/zinc/00/23/26/195002326.db2.gz OIHXQZQSQYUPBL-UHFFFAOYSA-N -1 3 472.542 3.124 50 0 JGAAHM C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C(=O)Nc1nc(CC(N)=O)cs1 ZINC000009910170 195020958 /nfs/dbraw/zinc/02/09/58/195020958.db2.gz DXJVTLJFESTUIJ-NSHDSACASA-N -1 3 485.616 3.396 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1ccccc1N(CCCOc1ccc(Cl)cc1)C2=O ZINC000009925756 195023631 /nfs/dbraw/zinc/02/36/31/195023631.db2.gz KPACDALJONBXAU-JOCHJYFZSA-N -1 3 472.954 3.311 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1cc(Br)ccc1N(Cc1ccc(C)cc1)C2=O ZINC000009925787 195024143 /nfs/dbraw/zinc/02/41/43/195024143.db2.gz GCJIMLHJJLCMIS-NRFANRHFSA-N -1 3 487.379 3.460 50 0 JGAAHM CCOc1ccc(CN2c3ccc(Cl)cc3[C@]3(SC([N-]C(C)=O)=NN3C(C)=O)C2=O)cc1 ZINC000009871981 195006441 /nfs/dbraw/zinc/00/64/41/195006441.db2.gz BIFSZXUNZYFOMZ-QFIPXVFZSA-N -1 3 472.954 3.441 50 0 JGAAHM COCCn1c(N)c(N(Cc2ccccc2)C(=O)C=Cc2ccc(C(C)(C)C)cc2)c(=O)[n-]c1=O ZINC000012823565 195150256 /nfs/dbraw/zinc/15/02/56/195150256.db2.gz SWOFFDJTNIGOAD-NTCAYCPXSA-N -1 3 476.577 3.309 50 0 JGAAHM O=C(Cc1ccsc1)N1CCC(c2nc3c(nnn3Cc3c(F)cccc3Cl)c(=O)[n-]2)CC1 ZINC000020890107 195236762 /nfs/dbraw/zinc/23/67/62/195236762.db2.gz HALIYGBNGKLRIH-UHFFFAOYSA-N -1 3 486.960 3.366 50 0 JGAAHM Cc1ccc([N-]S(=O)(=O)[C@@H]2CCCC[C@H]2O)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000058330777 195377854 /nfs/dbraw/zinc/37/78/54/195377854.db2.gz DPEHCPJKJWMOHR-QZTJIDSGSA-N -1 3 458.989 3.494 50 0 JGAAHM COc1ccc2cc([C@H]3SCC(=O)Nc4c3c(=O)[n-]n4[C@H]3CCOC(C)(C)C3)c(=O)[nH]c2c1 ZINC000096230723 130000094 /nfs/dbraw/zinc/00/00/94/130000094.db2.gz YOCXYVVSINXPIX-ORAYPTAESA-N -1 3 470.551 3.344 50 0 JGAAHM CCOC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000096247039 130002199 /nfs/dbraw/zinc/00/21/99/130002199.db2.gz UZJRBXBWJZXSIB-WBVHZDCISA-N -1 3 476.714 3.400 50 0 JGAAHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCCC3)ccc2N2CCNCC2)cc1 ZINC000033033431 519441841 /nfs/dbraw/zinc/44/18/41/519441841.db2.gz YIFLOAGDOQJJNY-UHFFFAOYSA-N -1 3 470.639 3.332 50 0 JGAAHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCCN4CCOCC4)CC3)cc2)cc1 ZINC000033115498 519442495 /nfs/dbraw/zinc/44/24/95/519442495.db2.gz FRIWPJBPUGCRMJ-UHFFFAOYSA-N -1 3 485.650 3.166 50 0 JGAAHM CCC[NH+]1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccc(OC)cc4)ccc3n2)CC1 ZINC000033256326 519860030 /nfs/dbraw/zinc/86/00/30/519860030.db2.gz HVKQXTVITFWETO-UHFFFAOYSA-N -1 3 484.578 3.274 50 0 JGAAHM CCCCN(C)C(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc(OCC)cc2)c1 ZINC000033033551 520394926 /nfs/dbraw/zinc/39/49/26/520394926.db2.gz ZOUDZAQGKJNIQO-UHFFFAOYSA-N -1 3 474.627 3.168 50 0 JGAAHM CCOC(=O)C1=C(C)N=c2s/c(=C\Cc3cc(Cl)ccc3[O-])c(=O)n2[C@@H]1c1ccccc1 ZINC000016682326 520488392 /nfs/dbraw/zinc/48/83/92/520488392.db2.gz INWNAIXVPCDFOD-JAORQVBISA-N -1 3 468.962 3.352 50 0 JGAAHM CCOC(=O)C1=C(C)N=c2s/c(=C\Cc3cc(Cl)ccc3[O-])c(=O)n2[C@H]1c1ccccc1 ZINC000016682327 520488756 /nfs/dbraw/zinc/48/87/56/520488756.db2.gz INWNAIXVPCDFOD-JCAJYURWSA-N -1 3 468.962 3.352 50 0 JGAAHM CCOC(=O)c1c(C)oc2nc(CN3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)[n-]c(=O)c21 ZINC000024812680 521399356 /nfs/dbraw/zinc/39/93/56/521399356.db2.gz HEXDZIMTTITRJG-UHFFFAOYSA-N -1 3 499.877 3.391 50 0 JGAAHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCCN4CCOCC4)CCC3)cc2)cc1 ZINC000033277530 521411144 /nfs/dbraw/zinc/41/11/44/521411144.db2.gz XOLZVMDHXVMKPL-UHFFFAOYSA-N -1 3 485.650 3.310 50 0 JGAAHM CN(C)[C@@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)c1ccccc1 ZINC000033028955 522023021 /nfs/dbraw/zinc/02/30/21/522023021.db2.gz LEDFCQHSUSWRAT-QFIPXVFZSA-N -1 3 481.574 3.291 50 0 JGAAHM CN(C)[C@@H](CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1)c1cccs1 ZINC000021763034 522026247 /nfs/dbraw/zinc/02/62/47/522026247.db2.gz LGXIDLXCRNZIMI-IBGZPJMESA-N -1 3 487.603 3.353 50 0 JGAAHM CCc1nc(Cn2c(=O)oc3cc(S(=O)(=O)[N-]c4ccc(Cl)cc4F)ccc32)no1 ZINC000064946901 522376421 /nfs/dbraw/zinc/37/64/21/522376421.db2.gz RQWNWARIQXLGGA-UHFFFAOYSA-N -1 3 452.851 3.182 50 0 JGAAHM COC(=O)c1sc2[n-]c(CN(Cc3ccco3)C[C@H](O)Cc3ccccc3)nc(=O)c2c1C ZINC000036206922 522434332 /nfs/dbraw/zinc/43/43/32/522434332.db2.gz ICADKXRSTBXLBS-QGZVFWFLSA-N -1 3 467.547 3.278 50 0 JGAAHM COC(=O)c1sccc1NC(=O)CSc1nc2c(c(=O)[n-]1)CN(Cc1ccccc1)CC2 ZINC000012415703 522444715 /nfs/dbraw/zinc/44/47/15/522444715.db2.gz IPAXTBJIFZBOPC-UHFFFAOYSA-N -1 3 470.576 3.319 50 0 JGAAHM COc1ccc(-c2nc3scc(CC[N-]S(=O)(=O)c4cc(F)ccc4OC)n3n2)cc1OC ZINC000008601526 523237850 /nfs/dbraw/zinc/23/78/50/523237850.db2.gz ADKKQXZGTOWLAX-UHFFFAOYSA-N -1 3 492.554 3.144 50 0 JGAAHM COCCCN1CCc2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c2C1 ZINC000020467817 523304107 /nfs/dbraw/zinc/30/41/07/523304107.db2.gz NAYPKYGLQDWNRD-UHFFFAOYSA-N -1 3 456.490 3.326 50 0 JGAAHM COCCN1CCc2nc(SCc3nc(-c4ccc(OC)c(OC)c4)oc3C)[n-]c(=O)c2C1 ZINC000033287176 523875949 /nfs/dbraw/zinc/87/59/49/523875949.db2.gz DNOIHQWEOYOVEU-UHFFFAOYSA-N -1 3 472.567 3.460 50 0 JGAAHM CCc1ccc(C(=O)N2CCC(c3nc4c(nnn4Cc4ccc(C)cc4)c(=O)[n-]3)CC2)cc1 ZINC000020463099 523882384 /nfs/dbraw/zinc/88/23/84/523882384.db2.gz DLILJRUZXWMBMS-UHFFFAOYSA-N -1 3 456.550 3.454 50 0 JGAAHM COc1ccc(Cn2nnc3c2nc(C2CCN(C(=O)c4cc(C)ccc4C)CC2)[n-]c3=O)cc1 ZINC000020440376 524266127 /nfs/dbraw/zinc/26/61/27/524266127.db2.gz DDPAHBIBDROCEX-UHFFFAOYSA-N -1 3 472.549 3.208 50 0 JGAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cnc(N3CCNCC3)c(C(=O)N3CCCC[C@H]3C)c2)cc1C ZINC000035514033 524327452 /nfs/dbraw/zinc/32/74/52/524327452.db2.gz NXNAOGOOGIIXIL-HXUWFJFHSA-N -1 3 485.654 3.232 50 0 JGAAHM COc1ccccc1CN1CCc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)[n-]c(=O)c2C1 ZINC000033331791 524455731 /nfs/dbraw/zinc/45/57/31/524455731.db2.gz INOLFGJCWAXAHF-UHFFFAOYSA-N -1 3 480.546 3.209 50 0 JGAAHM COc1ccccc1CN1CCc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)[n-]c(=O)c2C1 ZINC000033331790 524456108 /nfs/dbraw/zinc/45/61/08/524456108.db2.gz VYCKLFPMXSAPDM-UHFFFAOYSA-N -1 3 494.573 3.251 50 0 JGAAHM COc1ccccc1CN1CCc2nc(SCC(=O)NCc3cccs3)[n-]c(=O)c2C1 ZINC000033028773 524456319 /nfs/dbraw/zinc/45/63/19/524456319.db2.gz WFQUAOOBBVQPOF-UHFFFAOYSA-N -1 3 456.593 3.219 50 0 JGAAHM COc1ccc(NC(=O)c2nnc(C[N-]S(=O)(=O)c3ccc4c(c3)CCCC4)s2)cc1 ZINC000064991634 524659086 /nfs/dbraw/zinc/65/90/86/524659086.db2.gz TVBNITATTKMDRW-UHFFFAOYSA-N -1 3 458.565 3.156 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3ccccc3CN3CCOCC3)c2)cc1 ZINC000023967968 524695373 /nfs/dbraw/zinc/69/53/73/524695373.db2.gz VVWVWTYQDJUGQC-UHFFFAOYSA-N -1 3 495.601 3.258 50 0 JGAAHM COc1ccc(OC)c(NC(=O)CSc2nc3c(cnn3-c3ccccc3OC)c(=O)[n-]2)c1 ZINC000021716238 524850928 /nfs/dbraw/zinc/85/09/28/524850928.db2.gz RQPQTJWFGJHJAG-UHFFFAOYSA-N -1 3 467.507 3.278 50 0 JGAAHM Cc1cccc2c1nc(C[N-]S(=O)(=O)C[C@]13CC[C@H](CC1=O)C3(C)C)nc2N1CCCC1 ZINC000012509054 524966425 /nfs/dbraw/zinc/96/64/25/524966425.db2.gz PIDVIUHMOMDPRF-MZNJEOGPSA-N -1 3 456.612 3.353 50 0 JGAAHM CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000016248550 525219794 /nfs/dbraw/zinc/21/97/94/525219794.db2.gz CVEZZMLMUFIXLI-UHFFFAOYSA-N -1 3 463.512 3.250 50 0 JGAAHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(C)Cc3ccccc3)ccc2N2CCNCC2)cc1 ZINC000033033914 525591255 /nfs/dbraw/zinc/59/12/55/525591255.db2.gz FTRFMABTPNNPMO-UHFFFAOYSA-N -1 3 478.618 3.478 50 0 JGAAHM Cc1ccc(/C=C\S(=O)(=O)[N-]CC(=O)OCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000033499284 525964574 /nfs/dbraw/zinc/96/45/74/525964574.db2.gz LOTONKXCMRRZFA-QXMHVHEDSA-N -1 3 485.587 3.499 50 0 JGAAHM O=C([O-])c1ccc(N2CCN=C2N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC000020366537 526373832 /nfs/dbraw/zinc/37/38/32/526373832.db2.gz HRMFKMOAARCHIH-UHFFFAOYSA-N -1 3 453.852 3.450 50 0 JGAAHM O=C(NCc1ccccc1)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000033033863 526737404 /nfs/dbraw/zinc/73/74/04/526737404.db2.gz LPTYJFYJNICMMY-UHFFFAOYSA-N -1 3 485.009 3.480 50 0 JGAAHM O=C(c1ccccc1)N1CCC[C@H](c2nc3c(nnn3Cc3ccc(F)cc3F)c(=O)[n-]2)C1 ZINC000008611564 526792498 /nfs/dbraw/zinc/79/24/98/526792498.db2.gz XIOAHTHUKVIYGN-INIZCTEOSA-N -1 3 450.449 3.273 50 0 JGAAHM O=C(c1ccccc1)N1CCC[C@@H](c2nc3c(nnn3Cc3ccc(F)cc3F)c(=O)[n-]2)C1 ZINC000008611565 526793204 /nfs/dbraw/zinc/79/32/04/526793204.db2.gz XIOAHTHUKVIYGN-MRXNPFEDSA-N -1 3 450.449 3.273 50 0 JGAAHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000016393380 526967844 /nfs/dbraw/zinc/96/78/44/526967844.db2.gz ORVFIIRGNFYCRH-UHFFFAOYSA-N -1 3 465.575 3.211 50 0 JGAAHM Cn1c2cc([N-]C(=O)c3c(F)cccc3F)c(S(=O)(=O)c3ccc(F)cc3)cc2n(C)c1=O ZINC000046146105 527095659 /nfs/dbraw/zinc/09/56/59/527095659.db2.gz JBSQKGHFOLWPFJ-UHFFFAOYSA-N -1 3 475.448 3.379 50 0 JGAAHM O=S(=O)([N-]CCCOc1ccc(CN2CCN(c3ccccn3)CC2)cc1)c1cccs1 ZINC000014964631 527214569 /nfs/dbraw/zinc/21/45/69/527214569.db2.gz DXYZTYLRBBOUKZ-UHFFFAOYSA-N -1 3 472.636 3.213 50 0 JGAAHM O=S(=O)([N-]c1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1)c1ccc2c(c1)OCCO2 ZINC000021756041 527250151 /nfs/dbraw/zinc/25/01/51/527250151.db2.gz WCLZHFRQBBGFOY-UHFFFAOYSA-N -1 3 492.600 3.462 50 0 JGAAHM O=c1c2c[n-]nc2nc(SCc2nc(-c3ccc4c(c3)OCO4)no2)n1-c1ccc(F)c(F)c1 ZINC000033292225 527470570 /nfs/dbraw/zinc/47/05/70/527470570.db2.gz JNEDPPTUNOOOJH-UHFFFAOYSA-N -1 3 482.428 3.458 50 0 JGAAHM O=c1c2cn[n-]c2nc(SCc2nc(-c3ccc4c(c3)OCO4)no2)n1-c1ccc(F)c(F)c1 ZINC000033292225 527470573 /nfs/dbraw/zinc/47/05/73/527470573.db2.gz JNEDPPTUNOOOJH-UHFFFAOYSA-N -1 3 482.428 3.458 50 0 JGAAHM O=C(NC1CCCC1)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000033034254 527511354 /nfs/dbraw/zinc/51/13/54/527511354.db2.gz IHXLRGDKBQPDAB-UHFFFAOYSA-N -1 3 482.650 3.448 50 0 JGAAHM O=C([O-])COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)C2ON1c1ccccc1 ZINC000020479452 527619960 /nfs/dbraw/zinc/61/99/60/527619960.db2.gz LJPHILJUFXPTNI-DNVJHFABSA-N -1 3 462.433 3.340 50 0 JGAAHM O=C(NCCCN1CCOCC1)C1(c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000033115427 527669462 /nfs/dbraw/zinc/66/94/62/527669462.db2.gz HCKYYCSIQXKTDB-UHFFFAOYSA-N -1 3 478.014 3.011 50 0 JGAAHM CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1nc2c(C(C)(C)C)nn(C)c2c(=O)[n-]1 ZINC000002291509 554135657 /nfs/dbraw/zinc/13/56/57/554135657.db2.gz HCKQCYATBZAITO-UHFFFAOYSA-N -1 3 473.599 3.194 50 0 JGAAHM COc1cc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCO)cc(Br)c1[O-] ZINC000002352516 554162213 /nfs/dbraw/zinc/16/22/13/554162213.db2.gz SKMCCTLVJIGTJR-QGZVFWFLSA-N -1 3 474.307 3.424 50 0 JGAAHM COc1ccc(NC(=O)CSc2nc3c(cnn3-c3ccc(C)cc3)c(=O)[n-]2)c(OC)c1 ZINC000002717934 554303155 /nfs/dbraw/zinc/30/31/55/554303155.db2.gz VOODDGBBOPBTGM-UHFFFAOYSA-N -1 3 451.508 3.165 50 0 JGAAHM NS(=O)(=O)c1ccc(-n2ncc3c2nc(SCc2ccc(C(F)(F)F)cc2)[n-]c3=O)cc1 ZINC000002718480 554303968 /nfs/dbraw/zinc/30/39/68/554303968.db2.gz XYOCNIDLSBWHCR-UHFFFAOYSA-N -1 3 481.481 3.480 50 0 JGAAHM CCSc1nnc([N-]C(=O)c2ccc(Br)c(S(=O)(=O)N3CCCC3)c2)s1 ZINC000002849771 554377961 /nfs/dbraw/zinc/37/79/61/554377961.db2.gz UMMPNQQJAFDQAE-UHFFFAOYSA-N -1 3 477.431 3.449 50 0 JGAAHM CCOc1ccc(CN2C(=O)[C@]3(SC([N-]C(C)=O)=NN3C(C)=O)c3cccc(C)c32)cc1 ZINC000008843749 554741015 /nfs/dbraw/zinc/74/10/15/554741015.db2.gz FBXRUHMIUKOBJF-HSZRJFAPSA-N -1 3 452.536 3.096 50 0 JGAAHM C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[N-]c3nnc(Cc4ccc(F)cc4)o3)cc2)C1 ZINC000008921426 554818365 /nfs/dbraw/zinc/81/83/65/554818365.db2.gz QFGRWEQNBXZWBI-HNNXBMFYSA-N -1 3 458.515 3.472 50 0 JGAAHM CCOC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c(O)n(-c3ccc(C)cc3)c(=O)c1-2 ZINC000009065012 554884876 /nfs/dbraw/zinc/88/48/76/554884876.db2.gz DJRUJBRYVWIWFO-AEFFLSMTSA-N -1 3 456.296 3.055 50 0 JGAAHM CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccnc2)c1 ZINC000009118138 554907708 /nfs/dbraw/zinc/90/77/08/554907708.db2.gz JTILTGAGOCZLGF-SFHVURJKSA-N -1 3 487.965 3.126 50 0 JGAAHM CCOc1ccccc1Nc1nnc(SCC(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)s1 ZINC000009154312 554944743 /nfs/dbraw/zinc/94/47/43/554944743.db2.gz YBRQQWDDXHAKJJ-UHFFFAOYSA-N -1 3 476.584 3.058 50 0 JGAAHM O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000009157133 554946716 /nfs/dbraw/zinc/94/67/16/554946716.db2.gz YXWSDGXDQCEGDT-QFIPXVFZSA-N -1 3 493.585 3.263 50 0 JGAAHM CCn1c(SCC(=O)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)nnc1-c1ccccc1[O-] ZINC000009189681 554961465 /nfs/dbraw/zinc/96/14/65/554961465.db2.gz DXHUGHUKMUGFRP-UHFFFAOYSA-N -1 3 480.594 3.070 50 0 JGAAHM COc1cccc(Cn2nnc3c2nc(C2CCN(C(=O)c4ccc(F)cc4)CC2)[n-]c3=O)c1 ZINC000009195538 554968861 /nfs/dbraw/zinc/96/88/61/554968861.db2.gz BOBAERIGEXVXAC-UHFFFAOYSA-N -1 3 462.485 3.143 50 0 JGAAHM COc1ccc(C(=O)N2CCC(c3nc4c(nnn4Cc4ccccc4F)c(=O)[n-]3)CC2)cc1 ZINC000009202185 554972762 /nfs/dbraw/zinc/97/27/62/554972762.db2.gz ACAJBPOTIGUBNZ-UHFFFAOYSA-N -1 3 462.485 3.143 50 0 JGAAHM O=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)[C@@H]1CCCO1 ZINC000009368194 555131025 /nfs/dbraw/zinc/13/10/25/555131025.db2.gz CEBMLCHXZGSBQP-IBGZPJMESA-N -1 3 465.959 3.095 50 0 JGAAHM COc1ccc(OC)c(-c2nnc([N-]C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)o2)c1 ZINC000009383881 555148513 /nfs/dbraw/zinc/14/85/13/555148513.db2.gz ZJPGGTGLIYJCCT-UHFFFAOYSA-N -1 3 472.523 3.181 50 0 JGAAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2ccccc2)c(C(=O)[O-])c1OC ZINC000009424685 555189336 /nfs/dbraw/zinc/18/93/36/555189336.db2.gz JUMCWXATNOIGLB-XPNTWCBSSA-N -1 3 474.469 3.453 50 0 JGAAHM CN(C)[C@H](CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1)c1ccccc1 ZINC000009468071 555246619 /nfs/dbraw/zinc/24/66/19/555246619.db2.gz UIULWVHCFKBCSQ-OAQYLSRUSA-N -1 3 467.547 3.249 50 0 JGAAHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCN(c4ccccn4)CC3)c2)cc1 ZINC000009468800 555249528 /nfs/dbraw/zinc/24/95/28/555249528.db2.gz PNZOGWLFUQOJPT-UHFFFAOYSA-N -1 3 466.563 3.244 50 0 JGAAHM COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccc(-c3ccc(F)cc3)s2)c(=O)[n-]c1=O ZINC000009487136 555262829 /nfs/dbraw/zinc/26/28/29/555262829.db2.gz WLUQHQTZSXIRKL-UHFFFAOYSA-N -1 3 494.548 3.480 50 0 JGAAHM COc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)NCc2cccc(Cl)c2)cc1 ZINC000009490243 555265314 /nfs/dbraw/zinc/26/53/14/555265314.db2.gz JYJSKSZWRZDDHK-UHFFFAOYSA-N -1 3 455.927 3.179 50 0 JGAAHM COc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)NCc2cccc(Cl)c2)cc1 ZINC000009490243 555265317 /nfs/dbraw/zinc/26/53/17/555265317.db2.gz JYJSKSZWRZDDHK-UHFFFAOYSA-N -1 3 455.927 3.179 50 0 JGAAHM CCn1nnnc1SCc1nc(=O)c2c(C)c(C(=O)Nc3ccc(C)cc3C)sc2[n-]1 ZINC000009500777 555285383 /nfs/dbraw/zinc/28/53/83/555285383.db2.gz NQKPUQNRDVBQFF-UHFFFAOYSA-N -1 3 455.569 3.461 50 0 JGAAHM O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000009539563 555331073 /nfs/dbraw/zinc/33/10/73/555331073.db2.gz UQGUCAUZWUXJJM-UHFFFAOYSA-N -1 3 467.478 3.251 50 0 JGAAHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)c1 ZINC000009544711 555336570 /nfs/dbraw/zinc/33/65/70/555336570.db2.gz ICEUMIWCWYSXLJ-UHFFFAOYSA-N -1 3 462.705 3.477 50 0 JGAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)OCc1nc(-c2ccc(Cl)cc2)no1 ZINC000009684226 555413028 /nfs/dbraw/zinc/41/30/28/555413028.db2.gz XZKCRQDTCZBSLC-INIZCTEOSA-N -1 3 455.945 3.498 50 0 JGAAHM COc1cccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC000009692379 555419259 /nfs/dbraw/zinc/41/92/59/555419259.db2.gz DYUIOQOXSRCTMP-LJQANCHMSA-N -1 3 468.560 3.228 50 0 JGAAHM Cc1ccc(CNC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccc3nsnc32)cc1 ZINC000009692436 555419652 /nfs/dbraw/zinc/41/96/52/555419652.db2.gz SXZMYKAYJBZZRU-HXUWFJFHSA-N -1 3 466.588 3.206 50 0 JGAAHM Cc1cccc(CCNC(=O)[C@@H]([N-]S(=O)(=O)c2cccc3nsnc32)c2ccccc2)c1 ZINC000009692613 555420728 /nfs/dbraw/zinc/42/07/28/555420728.db2.gz GKHIFLDAELNFET-NRFANRHFSA-N -1 3 466.588 3.378 50 0 JGAAHM Cc1cccc(CCNC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC000009692614 555420782 /nfs/dbraw/zinc/42/07/82/555420782.db2.gz VWRYTKABZHUVLC-OAQYLSRUSA-N -1 3 480.615 3.248 50 0 JGAAHM COc1ccc(NC(=O)[C@@H]([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)c(OC)c1 ZINC000009610553 555440938 /nfs/dbraw/zinc/44/09/38/555440938.db2.gz RMBKLEFFPKHICT-DEOSSOPVSA-N -1 3 495.557 3.247 50 0 JGAAHM CN1CCN(c2ccccc2NC(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)CC1 ZINC000009716805 555450323 /nfs/dbraw/zinc/45/03/23/555450323.db2.gz UMMNDYFLUIYJNM-UHFFFAOYSA-N -1 3 483.421 3.438 50 0 JGAAHM O=C(COC(=O)c1ccc([O-])cc1)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000009632249 555462797 /nfs/dbraw/zinc/46/27/97/555462797.db2.gz HSWDVHMTYIKGFL-UHFFFAOYSA-N -1 3 466.943 3.406 50 0 JGAAHM COc1ccc(-c2nnc([N-]C(=O)c3ccc(S(=O)(=O)N(C)Cc4ccco4)cc3)o2)c(OC)c1 ZINC000010220711 555654130 /nfs/dbraw/zinc/65/41/30/555654130.db2.gz ARTWQAVJMMNYQU-UHFFFAOYSA-N -1 3 498.517 3.420 50 0 JGAAHM COc1ccc(NC(=O)CC[N-]S(=O)(=O)c2ccc(Br)s2)cc1Cl ZINC000020137234 555661006 /nfs/dbraw/zinc/66/10/06/555661006.db2.gz XNTQMLGAPSIKLM-UHFFFAOYSA-N -1 3 453.767 3.480 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1cccc(C)c1N(CCCOc1ccccc1C)C2=O ZINC000010335537 555690339 /nfs/dbraw/zinc/69/03/39/555690339.db2.gz QOZKURHIIURRAN-XMMPIXPASA-N -1 3 466.563 3.274 50 0 JGAAHM CCOc1ccc(CN2C(=O)[C@@]3(SC([N-]C(C)=O)=NN3C(C)=O)c3cc(C)cc(C)c32)cc1 ZINC000010335633 555690723 /nfs/dbraw/zinc/69/07/23/555690723.db2.gz HJGDZXOOSRMPCD-DEOSSOPVSA-N -1 3 466.563 3.404 50 0 JGAAHM Cc1ccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000014114625 555691516 /nfs/dbraw/zinc/69/15/16/555691516.db2.gz ULHBUMMLONCUFK-ROUUACIJSA-N -1 3 485.537 3.215 50 0 JGAAHM CSCC[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000014120358 555694250 /nfs/dbraw/zinc/69/42/50/555694250.db2.gz PRSDTGXUTUGXKH-WFASDCNBSA-N -1 3 457.618 3.446 50 0 JGAAHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 ZINC000010499916 555721154 /nfs/dbraw/zinc/72/11/54/555721154.db2.gz JOONOKVNUVEODS-UHFFFAOYSA-N -1 3 490.582 3.093 50 0 JGAAHM COc1ccccc1CNC(=O)[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000020235577 555728377 /nfs/dbraw/zinc/72/83/77/555728377.db2.gz XKIOMEMKEYHYNB-HXUWFJFHSA-N -1 3 468.560 3.036 50 0 JGAAHM O=S(=O)([N-]C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)c1cccs1 ZINC000010680082 555732027 /nfs/dbraw/zinc/73/20/27/555732027.db2.gz HYOBVKVHHRERFG-UHFFFAOYSA-N -1 3 455.410 3.187 50 0 JGAAHM O=S(=O)([N-]C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)c1cccs1 ZINC000010680218 555732045 /nfs/dbraw/zinc/73/20/45/555732045.db2.gz KFIRRDWOIBUUDE-UHFFFAOYSA-N -1 3 455.410 3.187 50 0 JGAAHM C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C[C@H](C)O1 ZINC000014252853 555754971 /nfs/dbraw/zinc/75/49/71/555754971.db2.gz CTEKXSYCBPCHGZ-CALCHBBNSA-N -1 3 463.575 3.244 50 0 JGAAHM O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1)NC1CCCC1 ZINC000014361330 555799393 /nfs/dbraw/zinc/79/93/93/555799393.db2.gz IKDVJJQYEPNERL-UHFFFAOYSA-N -1 3 450.944 3.034 50 0 JGAAHM COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000020574797 555829591 /nfs/dbraw/zinc/82/95/91/555829591.db2.gz WNVORNQBTFXXHV-UHFFFAOYSA-N -1 3 457.895 3.341 50 0 JGAAHM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(Nc2cc(N3CCOCC3)nc(C)n2)cc1 ZINC000021794927 555856264 /nfs/dbraw/zinc/85/62/64/555856264.db2.gz VCKRLRHMFWYZRF-UHFFFAOYSA-N -1 3 469.567 3.483 50 0 JGAAHM CCc1nc2sc([C@@H](c3ccc(C(F)(F)F)cc3)N3CCC(C(N)=O)CC3)c([O-])n2n1 ZINC000022853791 555960641 /nfs/dbraw/zinc/96/06/41/555960641.db2.gz XPYAIYVEKOOTDB-OAHLLOKOSA-N -1 3 453.490 3.364 50 0 JGAAHM COC(=O)[C@@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)c1ccc(CNC(=O)c2ccccc2)s1 ZINC000012368218 555960728 /nfs/dbraw/zinc/96/07/28/555960728.db2.gz GRUJHUWTOGUKBN-OAQYLSRUSA-N -1 3 497.598 3.222 50 0 JGAAHM COc1ccc(-c2nc3sc(CC[N-]S(=O)(=O)c4cc(F)ccc4OC)c(C)n3n2)cc1 ZINC000015823645 556012363 /nfs/dbraw/zinc/01/23/63/556012363.db2.gz IZCUTLRTBZCATQ-UHFFFAOYSA-N -1 3 476.555 3.444 50 0 JGAAHM CC(=O)Nc1cccc(-n2c(SCC(=O)c3ccc([N-]S(C)(=O)=O)cc3)nnc2C2CC2)c1 ZINC000023139666 556021317 /nfs/dbraw/zinc/02/13/17/556021317.db2.gz YMYMNMIGBPTWFC-UHFFFAOYSA-N -1 3 485.591 3.450 50 0 JGAAHM Cc1nnsc1C(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000012553851 556037584 /nfs/dbraw/zinc/03/75/84/556037584.db2.gz WPKVGRLQHSTWRM-UHFFFAOYSA-N -1 3 493.998 3.390 50 0 JGAAHM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@H](CC(C)C)N3CCOCC3)c2)cc1 ZINC000012560550 556052682 /nfs/dbraw/zinc/05/26/82/556052682.db2.gz ANEQLWLKODUGMG-QFIPXVFZSA-N -1 3 489.638 3.363 50 0 JGAAHM COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]3CCCO3)c2)c(OC)c1 ZINC000015934640 556071843 /nfs/dbraw/zinc/07/18/43/556071843.db2.gz VKGBUQUUJNZZRQ-HNNXBMFYSA-N -1 3 454.932 3.067 50 0 JGAAHM O=c1nc(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)[n-]c2scc(-c3cccs3)c21 ZINC000023982610 556110056 /nfs/dbraw/zinc/11/00/56/556110056.db2.gz SEBMAFDVRMNFPY-UHFFFAOYSA-N -1 3 490.607 3.359 50 0 JGAAHM CN(Cc1ccc(Br)cc1)C(=O)CN1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012770232 556110104 /nfs/dbraw/zinc/11/01/04/556110104.db2.gz MQJJTDYUGJQUTF-UHFFFAOYSA-N -1 3 460.372 3.464 50 0 JGAAHM C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C(=O)NCCN1C[C@@H](C)O[C@H](C)C1 ZINC000012807193 556114935 /nfs/dbraw/zinc/11/49/35/556114935.db2.gz ADAHYFAXJWCJBE-ZACQAIPSSA-N -1 3 486.663 3.499 50 0 JGAAHM CCn1c2ccccc2nc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1 ZINC000024504924 556132763 /nfs/dbraw/zinc/13/27/63/556132763.db2.gz JNYJOELHHHYBMY-OAHLLOKOSA-N -1 3 462.959 3.419 50 0 JGAAHM O=C(NC[C@H]1COc2ccccc2O1)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1 ZINC000024578337 556137112 /nfs/dbraw/zinc/13/71/12/556137112.db2.gz DMGUCQZOBFLYJR-SFHVURJKSA-N -1 3 472.950 3.388 50 0 JGAAHM O=S(=O)([N-]Cc1ccc(CN2CCOCC2)cc1)c1ccc(Br)cc1Cl ZINC000012933316 556149369 /nfs/dbraw/zinc/14/93/69/556149369.db2.gz FSOCQQXFNBYGBX-UHFFFAOYSA-N -1 3 459.793 3.413 50 0 JGAAHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H](C(CC)CC)N1CCOCC1 ZINC000012948065 556158655 /nfs/dbraw/zinc/15/86/55/556158655.db2.gz VQEDVWUMXPNHEE-QGZVFWFLSA-N -1 3 463.438 3.263 50 0 JGAAHM O=C(CC[N-]S(=O)(=O)c1ccccc1C(F)(F)F)NC[C@H](c1ccco1)N1CCCCC1 ZINC000012975180 556167269 /nfs/dbraw/zinc/16/72/69/556167269.db2.gz ZUMUJYIOVYGLEX-QGZVFWFLSA-N -1 3 473.517 3.310 50 0 JGAAHM O=C(NCc1nnc2n1CCCCC2)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000024980895 556168396 /nfs/dbraw/zinc/16/83/96/556168396.db2.gz RZITXYTXJIAGKK-UHFFFAOYSA-N -1 3 459.959 3.389 50 0 JGAAHM COc1ccc(F)cc1S(=O)(=O)[N-]CCc1csc2nc(-c3cccc(F)c3)nn12 ZINC000016960135 556190382 /nfs/dbraw/zinc/19/03/82/556190382.db2.gz APTACDBTMDNVSF-UHFFFAOYSA-N -1 3 450.492 3.266 50 0 JGAAHM COc1ccc(-c2nc3scc(CC[N-]S(=O)(=O)c4ccccc4F)n3n2)cc1OC ZINC000016960119 556190398 /nfs/dbraw/zinc/19/03/98/556190398.db2.gz YYWGYASSHBSSEN-UHFFFAOYSA-N -1 3 462.528 3.135 50 0 JGAAHM C[C@H](CCc1ccccc1)NC(=O)COC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000013011950 556203906 /nfs/dbraw/zinc/20/39/06/556203906.db2.gz YXIDRQFORRDQAE-CABCVRRESA-N -1 3 487.405 3.341 50 0 JGAAHM Cc1ccc(NC(=O)CSc2nnc(Cc3cc(=O)[n-]c(=O)[nH]3)n2-c2cc(C)ccc2C)c(C)c1 ZINC000017025864 556205007 /nfs/dbraw/zinc/20/50/07/556205007.db2.gz WFCCZEYDHDZWGU-UHFFFAOYSA-N -1 3 490.589 3.199 50 0 JGAAHM C[C@@H](NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F)c1ccc2c(c1)OCCO2 ZINC000025389003 556211506 /nfs/dbraw/zinc/21/15/06/556211506.db2.gz PXBQEUNHQKNKQF-UTKZUKDTSA-N -1 3 484.549 3.364 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1cccc(C)c1N(Cc1ccccc1OC(C)C)C2=O ZINC000017135797 556223241 /nfs/dbraw/zinc/22/32/41/556223241.db2.gz GNIIYUYSVLZUGS-XMMPIXPASA-N -1 3 466.563 3.484 50 0 JGAAHM NC(=O)c1ccc(NC(=O)CSc2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[n-]2)cc1 ZINC000017155429 556228301 /nfs/dbraw/zinc/22/83/01/556228301.db2.gz BWFHAMVVHRZFAZ-UHFFFAOYSA-N -1 3 454.899 3.004 50 0 JGAAHM Cc1cccc(N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]4CCCO4)c3)CC2)c1C ZINC000013055661 556250199 /nfs/dbraw/zinc/25/01/99/556250199.db2.gz ZKBNSEHCTDMSSM-FQEVSTJZSA-N -1 3 492.041 3.377 50 0 JGAAHM COc1ccc(NC(=O)c2nc3nc(C)cc(C)n3n2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000026799969 556263629 /nfs/dbraw/zinc/26/36/29/556263629.db2.gz WASWWVCAPOFROC-UHFFFAOYSA-N -1 3 486.941 3.456 50 0 JGAAHM COc1cc(OC)cc(C(=O)[N-]n2c(=O)c3ccccc3nc2-c2ccc(OC)c(OC)c2)c1 ZINC000027527523 556288120 /nfs/dbraw/zinc/28/81/20/556288120.db2.gz AYHFPLVIWMFOIE-UHFFFAOYSA-N -1 3 461.474 3.482 50 0 JGAAHM C[C@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)C1=O ZINC000013114789 556320828 /nfs/dbraw/zinc/32/08/28/556320828.db2.gz QJZRRMWTKJEDLH-HSZRJFAPSA-N -1 3 454.914 3.055 50 0 JGAAHM C[C@H](Sc1n[n-]c(-c2cccs2)n1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000013114817 556321069 /nfs/dbraw/zinc/32/10/69/556321069.db2.gz MJWBCEVCFIBYQI-ZDUSSCGKSA-N -1 3 463.610 3.437 50 0 JGAAHM COc1ccc2c(COC(=O)C[N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc(=O)oc2c1 ZINC000028854767 556343170 /nfs/dbraw/zinc/34/31/70/556343170.db2.gz SCGUECZIFWVBNQ-UHFFFAOYSA-N -1 3 472.302 3.130 50 0 JGAAHM O=C(CCC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccc2c(c1)OCO2 ZINC000029600050 556353743 /nfs/dbraw/zinc/35/37/43/556353743.db2.gz XUBUYAITLYTLSQ-UHFFFAOYSA-N -1 3 459.351 3.140 50 0 JGAAHM O=C(CCC[N-]S(=O)(=O)c1ccc(F)cc1F)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000019604222 556357174 /nfs/dbraw/zinc/35/71/74/556357174.db2.gz BEELLTYWOXOJDA-UHFFFAOYSA-N -1 3 496.561 3.108 50 0 JGAAHM C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2cc(C(C)(C)C)ccc2OC)ccc1Cl ZINC000013134520 556363574 /nfs/dbraw/zinc/36/35/74/556363574.db2.gz KEJZFYPHCRUCRU-UHFFFAOYSA-N -1 3 468.959 3.350 50 0 JGAAHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc3c(c2)OCO3)c(Br)c1 ZINC000030379254 556365445 /nfs/dbraw/zinc/36/54/45/556365445.db2.gz BALQZMVCIHVFAQ-NSHDSACASA-N -1 3 456.314 3.394 50 0 JGAAHM O=C([O-])[C@H](c1c[nH]c2cc(F)ccc21)N1CCN(CCNc2cc(=O)oc3ccccc23)CC1 ZINC000031810714 556406199 /nfs/dbraw/zinc/40/61/99/556406199.db2.gz FWAPLQMGLBOHOU-DEOSSOPVSA-N -1 3 464.497 3.269 50 0 JGAAHM CC(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])N1CCN(c2nc3ccccc3nc2C)CC1 ZINC000032088382 556414182 /nfs/dbraw/zinc/41/41/82/556414182.db2.gz SYNQMKWADGATLY-HSZRJFAPSA-N -1 3 458.522 3.326 50 0 JGAAHM CC(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(c4nc5ccccc5nc4C)CC3)c2c1 ZINC000032092133 556414902 /nfs/dbraw/zinc/41/49/02/556414902.db2.gz SISLJLFOPIQCSS-QHCPKHFHSA-N -1 3 458.522 3.326 50 0 JGAAHM C[C@@H](OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000032671960 556468231 /nfs/dbraw/zinc/46/82/31/556468231.db2.gz YAWCGAWZZBXOBR-MRXNPFEDSA-N -1 3 473.551 3.117 50 0 JGAAHM C[C@H](OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000032671962 556468240 /nfs/dbraw/zinc/46/82/40/556468240.db2.gz YAWCGAWZZBXOBR-INIZCTEOSA-N -1 3 473.551 3.117 50 0 JGAAHM C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000032719029 556473956 /nfs/dbraw/zinc/47/39/56/556473956.db2.gz OTECCJSZPCBPLQ-NGVVTVSOSA-N -1 3 492.605 3.384 50 0 JGAAHM O=C([N-]c1nnc(Br)s1)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000032818884 556503449 /nfs/dbraw/zinc/50/34/49/556503449.db2.gz JNSWMOGQKNXDOP-UHFFFAOYSA-N -1 3 479.381 3.300 50 0 JGAAHM C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1)c1nc2ccccc2[nH]1 ZINC000032819150 556503900 /nfs/dbraw/zinc/50/39/00/556503900.db2.gz KNIRAEFJRDUIQD-UKRRQHHQSA-N -1 3 462.959 3.165 50 0 JGAAHM Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000032909871 556533154 /nfs/dbraw/zinc/53/31/54/556533154.db2.gz HPYYYZMJNCHUGW-OAHLLOKOSA-N -1 3 483.587 3.321 50 0 JGAAHM Cc1cc(C)c2c(=O)[n-]c(SCC(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)nc2n1 ZINC000032957961 556571960 /nfs/dbraw/zinc/57/19/60/556571960.db2.gz GXQAHITZDQEDMZ-UHFFFAOYSA-N -1 3 487.607 3.253 50 0 JGAAHM COc1ccccc1Cn1nnc2c1nc(C1CCN(C(=O)c3ccccc3Cl)CC1)[n-]c2=O ZINC000008673158 562950048 /nfs/dbraw/zinc/95/00/48/562950048.db2.gz BHGDKSGXTZAULG-UHFFFAOYSA-N -1 3 478.940 3.245 50 0 JGAAHM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(Cc2noc(C4CC4)n2)C(=O)CO3)cc1 ZINC000064450726 569617259 /nfs/dbraw/zinc/61/72/59/569617259.db2.gz BUOXZHINRSYQIC-UHFFFAOYSA-N -1 3 454.508 3.236 50 0 JGAAHM O=C1COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2N1Cc1noc(C2CCC2)n1 ZINC000064450749 569617383 /nfs/dbraw/zinc/61/73/83/569617383.db2.gz JLBZQAPXRXNDKB-UHFFFAOYSA-N -1 3 458.471 3.203 50 0 JGAAHM COc1ccc(CNC(=O)C2CCN(C(=O)c3nnc(C(=O)[N-]c4cccc(F)c4)s3)CC2)cc1 ZINC000033024552 569619956 /nfs/dbraw/zinc/61/99/56/569619956.db2.gz OESYGQSCUFVBQA-UHFFFAOYSA-N -1 3 497.552 3.107 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(Cc2noc(C4CCC4)n2)C(=O)CO3)cc1 ZINC000064605654 569622664 /nfs/dbraw/zinc/62/26/64/569622664.db2.gz DVDVLBIQGBXXDD-UHFFFAOYSA-N -1 3 470.507 3.072 50 0 JGAAHM O=C(NCCN1CCCC1)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000064611681 569623199 /nfs/dbraw/zinc/62/31/99/569623199.db2.gz KIWQZCACPZUEAI-SFHVURJKSA-N -1 3 451.596 3.080 50 0 JGAAHM CCc1nc(CN2C(=O)COc3cc(S(=O)(=O)[N-]C4CCCCCC4)c(Cl)cc32)no1 ZINC000065022471 569649055 /nfs/dbraw/zinc/64/90/55/569649055.db2.gz PMNKGBYCYNDQPO-UHFFFAOYSA-N -1 3 468.963 3.212 50 0 JGAAHM Cc1nc(CN2C(=O)COc3cc(S(=O)(=O)[N-][C@@H]4CCCc5ccccc54)c(Cl)cc32)no1 ZINC000065022434 569649135 /nfs/dbraw/zinc/64/91/35/569649135.db2.gz WMFUHBOIMNGJLO-QGZVFWFLSA-N -1 3 488.953 3.313 50 0 JGAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2cnc(N3CCNCC3)c(C(=O)NC3CCCCCC3)c2)c1 ZINC000065025188 569650402 /nfs/dbraw/zinc/65/04/02/569650402.db2.gz GFJGWBYYOMAPIX-UHFFFAOYSA-N -1 3 485.654 3.361 50 0 JGAAHM CCCCN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cnc1N1CCNCC1 ZINC000065025278 569650521 /nfs/dbraw/zinc/65/05/21/569650521.db2.gz WZOVHRMPDURUNQ-UHFFFAOYSA-N -1 3 487.670 3.462 50 0 JGAAHM CCCc1ccc(S(=O)(=O)[N-]c2cnc(N3CCNCC3)c(C(=O)NCc3ccccc3)c2)cc1 ZINC000065025295 569650783 /nfs/dbraw/zinc/65/07/83/569650783.db2.gz LTHWBXIGNWXUGQ-UHFFFAOYSA-N -1 3 493.633 3.175 50 0 JGAAHM Cc1nc(-c2cc(S(=O)(=O)[N-]c3cc(F)ccc3F)c(C)n2C)sc1C(=O)N1CCOCC1 ZINC000065036036 569652907 /nfs/dbraw/zinc/65/29/07/569652907.db2.gz GRCKROGQWGATGN-UHFFFAOYSA-N -1 3 496.561 3.317 50 0 JGAAHM CCCN1CCc2nc(SCC(=O)NCc3ccccc3Br)[n-]c(=O)c2C1 ZINC000067291870 569685865 /nfs/dbraw/zinc/68/58/65/569685865.db2.gz VYCOUKDYEAGCJZ-UHFFFAOYSA-N -1 3 451.390 3.121 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)N2CCC(C)CC2)cc1 ZINC000035398975 569689245 /nfs/dbraw/zinc/68/92/45/569689245.db2.gz OIFKNTQZLYGZTA-UHFFFAOYSA-N -1 3 485.606 3.424 50 0 JGAAHM COC(=O)c1sccc1NC(=O)C[C@H](CN1CCN(Cc2cccc(Cl)c2)CC1)C(=O)[O-] ZINC000071284232 569696182 /nfs/dbraw/zinc/69/61/82/569696182.db2.gz DGZFZNKIZADMJQ-MRXNPFEDSA-N -1 3 479.986 3.035 50 0 JGAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)cc2)cc1 ZINC000078477854 569706141 /nfs/dbraw/zinc/70/61/41/569706141.db2.gz VSHUYISAUILASO-MZNJEOGPSA-N -1 3 484.578 3.235 50 0 JGAAHM CC(C)Cn1c(=O)[n-]c(=O)c2c(C(=O)NCc3nc4c(s3)CCCC4)cc(C(C)C)nc21 ZINC000078733242 569706561 /nfs/dbraw/zinc/70/65/61/569706561.db2.gz QVDYBHRAGGKKQX-UHFFFAOYSA-N -1 3 455.584 3.130 50 0 JGAAHM O=C(CNC(=O)Cn1c(-c2ccccc2)cc2ccccc21)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000084562497 569709473 /nfs/dbraw/zinc/70/94/73/569709473.db2.gz MXJAPAXVGOZNDT-UHFFFAOYSA-N -1 3 467.485 3.005 50 0 JGAAHM O=C(CNC(=O)Cn1c(-c2ccccc2)cc2ccccc21)Nc1cccc2c(=O)[n-][nH]c(=O)c12 ZINC000084562497 569709474 /nfs/dbraw/zinc/70/94/74/569709474.db2.gz MXJAPAXVGOZNDT-UHFFFAOYSA-N -1 3 467.485 3.005 50 0 JGAAHM CC(C)C[C@H](NC(=O)COc1cc([O-])c2c(c1)OC(C)(C)CC2=O)c1nnc2ccccn21 ZINC000096114735 569733876 /nfs/dbraw/zinc/73/38/76/569733876.db2.gz PGNVCIFKNWZEQO-INIZCTEOSA-N -1 3 452.511 3.461 50 0 biogenic JGAAHM CCOC(=O)c1[n-]n(-c2cccc(C)c2)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000100931206 569776291 /nfs/dbraw/zinc/77/62/91/569776291.db2.gz UUBYEWIMGZRZKS-AEFFLSMTSA-N -1 3 456.296 3.055 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)ccc2C)cc1 ZINC000101995175 569808690 /nfs/dbraw/zinc/80/86/90/569808690.db2.gz YAMUCLUFYZJDMQ-SFTDATJTSA-N -1 3 497.573 3.084 50 0 JGAAHM CCN1CCN(c2ncc(-c3cc(=O)[n-]c(N4CCC(Cc5ccccc5)CC4)n3)c(C)n2)CC1 ZINC000039383783 569809642 /nfs/dbraw/zinc/80/96/42/569809642.db2.gz AAMLPQHSKJVEQR-UHFFFAOYSA-N -1 3 473.625 3.136 50 0 JGAAHM CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]Cc3ccccc3OC)cc21 ZINC000040450376 569828338 /nfs/dbraw/zinc/82/83/38/569828338.db2.gz GGLXHGIDIYZRRQ-UHFFFAOYSA-N -1 3 453.358 3.235 50 0 JGAAHM Cc1ccc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000102992558 569830755 /nfs/dbraw/zinc/83/07/55/569830755.db2.gz ULHBUMMLONCUFK-QZTJIDSGSA-N -1 3 485.537 3.215 50 0 JGAAHM COc1ccc(NC(=O)C2CC(=O)Nc3nc(SCCc4ccccc4)[n-]c(=O)c32)cc1 ZINC000046074390 569843393 /nfs/dbraw/zinc/84/33/93/569843393.db2.gz QQVXQMUCFCIGHY-KRWDZBQOSA-N -1 3 450.520 3.178 50 0 JGAAHM COc1cccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccc(C)cc4)[n-]c(=O)c32)c1 ZINC000046074989 569843626 /nfs/dbraw/zinc/84/36/26/569843626.db2.gz IEHZSXVFPUDNDI-QGZVFWFLSA-N -1 3 450.520 3.444 50 0 JGAAHM O=C(Nc1cc(F)cc(F)c1)C1CC(=O)Nc2nc(SCCc3ccccc3)[n-]c(=O)c21 ZINC000046075676 569844556 /nfs/dbraw/zinc/84/45/56/569844556.db2.gz IPQOXZPNZJSQHU-INIZCTEOSA-N -1 3 456.474 3.447 50 0 JGAAHM COc1ccc(NC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccc(F)c(F)c2)c(OC)c1 ZINC000051316774 569850977 /nfs/dbraw/zinc/85/09/77/569850977.db2.gz OWBNZLKEUQYJNB-UHFFFAOYSA-N -1 3 473.461 3.135 50 0 JGAAHM COc1ccc(NC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccc(F)c(F)c2)c(OC)c1 ZINC000051316774 569850979 /nfs/dbraw/zinc/85/09/79/569850979.db2.gz OWBNZLKEUQYJNB-UHFFFAOYSA-N -1 3 473.461 3.135 50 0 JGAAHM COc1ccc(NC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccc(F)c(F)c2)cc1OC ZINC000051316777 569851038 /nfs/dbraw/zinc/85/10/38/569851038.db2.gz BYBCLYFDLVVQPM-UHFFFAOYSA-N -1 3 473.461 3.135 50 0 JGAAHM COc1ccc(NC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccc(F)c(F)c2)cc1OC ZINC000051316777 569851039 /nfs/dbraw/zinc/85/10/39/569851039.db2.gz BYBCLYFDLVVQPM-UHFFFAOYSA-N -1 3 473.461 3.135 50 0 JGAAHM CCC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000225848562 570024702 /nfs/dbraw/zinc/02/47/02/570024702.db2.gz VORKTWIAUKUPCG-GOSISDBHSA-N -1 3 461.540 3.172 50 0 JGAAHM CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Cl)ccc3[O-])c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000252669438 570091583 /nfs/dbraw/zinc/09/15/83/570091583.db2.gz HNTLASMDVDSBKJ-OAQYLSRUSA-N -1 3 484.961 3.166 50 0 JGAAHM CCOC(=O)C1=C(C)N=c2sc(=CCc3cc(Cl)ccc3[O-])c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000252672060 570092659 /nfs/dbraw/zinc/09/26/59/570092659.db2.gz PBLNSLQJJLNPGN-JOCHJYFZSA-N -1 3 498.988 3.360 50 0 JGAAHM O=S(=O)([N-]Cc1cc(F)cc2c1OCOC2)c1cc(S(=O)(=O)c2ccccc2)cs1 ZINC000001030983 194005757 /nfs/dbraw/zinc/00/57/57/194005757.db2.gz XEIJGTXVWSRYPO-UHFFFAOYSA-N -1 3 469.537 3.065 50 0 JGAAHM COC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000001122812 194034507 /nfs/dbraw/zinc/03/45/07/194034507.db2.gz KJFZUUQMSHYYHQ-UHFFFAOYSA-N -1 3 470.503 3.300 50 0 JGAAHM O=S(=O)([N-]Cc1ccccc1)c1cc(S(=O)(=O)NCc2ccccc2)ccc1Cl ZINC000001197005 194067660 /nfs/dbraw/zinc/06/76/60/194067660.db2.gz XEGVQHRVMIZYKO-UHFFFAOYSA-N -1 3 450.969 3.297 50 0 JGAAHM COc1ccc(CCNC(=O)C[C@H]([N-]S(=O)(=O)c2ccc(C)cc2)c2ccco2)cc1OC ZINC000002938637 194174524 /nfs/dbraw/zinc/17/45/24/194174524.db2.gz DVBWNAUIKHINHZ-FQEVSTJZSA-N -1 3 472.563 3.374 50 0 JGAAHM O=C(COC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1[O-])Nc1ccc(F)c(F)c1F ZINC000003234796 194246745 /nfs/dbraw/zinc/24/67/45/194246745.db2.gz PYMWBGMSHAJBMZ-UHFFFAOYSA-N -1 3 494.447 3.084 50 0 JGAAHM COc1ccc(-n2c3sc(C(=O)c4ccc(Br)cc4)c(N)c3c(=O)[n-]c2=O)cc1 ZINC000003254274 194252655 /nfs/dbraw/zinc/25/26/55/194252655.db2.gz BSQMNWURSDCPEU-UHFFFAOYSA-N -1 3 472.320 3.325 50 0 JGAAHM C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1[O-] ZINC000003378924 194308913 /nfs/dbraw/zinc/30/89/13/194308913.db2.gz QKFWXYDNNBSLRJ-KRWDZBQOSA-N -1 3 480.542 3.005 50 0 JGAAHM O=C(Nc1ccc(-n2cnnn2)cc1)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000003422167 194319082 /nfs/dbraw/zinc/31/90/82/194319082.db2.gz JEJMTEVAURNYRW-UHFFFAOYSA-N -1 3 454.899 3.369 50 0 JGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1cc(C)ccc1N(Cc1ccccc1OC(C)C)C2=O ZINC000009925791 195024080 /nfs/dbraw/zinc/02/40/80/195024080.db2.gz FNTVELRZSYSIAM-XMMPIXPASA-N -1 3 466.563 3.484 50 0 JGAAHM CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)OCc1nc2ccsc2c(=O)[n-]1 ZINC000009963437 195040327 /nfs/dbraw/zinc/04/03/27/195040327.db2.gz VNNMPKWJKSRBPX-HNNXBMFYSA-N -1 3 464.341 3.245 50 0 JGAAHM O=C(Nc1cccc(N2CCCC2=O)c1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F ZINC000012789777 195130855 /nfs/dbraw/zinc/13/08/55/195130855.db2.gz XBFJCXAESFSHQO-QFIPXVFZSA-N -1 3 481.549 3.481 50 0 JGAAHM O=C(N[C@@H]1CCOc2ccccc21)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1 ZINC000012896593 195175594 /nfs/dbraw/zinc/17/55/94/195175594.db2.gz MVHVGMDYQLEIIP-MAUKXSAKSA-N -1 3 450.944 3.051 50 0 JGAAHM COc1ccc(CN2CCN([C@@H](C(=O)[O-])c3c[nH]c4ccc(C)cc43)CC2)c(OC)c1OC ZINC000020730563 195209932 /nfs/dbraw/zinc/20/99/32/195209932.db2.gz JLHXDWMBSDFHRS-JOCHJYFZSA-N -1 3 453.539 3.446 50 0 JGAAHM C[C@]([N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl)(C(N)=O)c1ccccc1 ZINC000058168467 195370693 /nfs/dbraw/zinc/37/06/93/195370693.db2.gz ZKPKGNSMRYAREA-OAHLLOKOSA-N -1 3 452.157 3.435 50 0 JGAAHM CCOC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000096247038 130002204 /nfs/dbraw/zinc/00/22/04/130002204.db2.gz UZJRBXBWJZXSIB-NVXWUHKLSA-N -1 3 476.714 3.400 50 0 JGAAHM O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1Br)NCCc1ccccc1 ZINC000096286860 130029680 /nfs/dbraw/zinc/02/96/80/130029680.db2.gz SAEZYHXTEGWUSJ-UHFFFAOYSA-N -1 3 484.379 3.322 50 0 JGAAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1Br)NCCc1ccccc1 ZINC000096286860 130029681 /nfs/dbraw/zinc/02/96/81/130029681.db2.gz SAEZYHXTEGWUSJ-UHFFFAOYSA-N -1 3 484.379 3.322 50 0 JGAAHM CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)[N-]c3ccccc3F)s2)cc1 ZINC000064941693 519730680 /nfs/dbraw/zinc/73/06/80/519730680.db2.gz VXPOLBOPHHNZBM-GOSISDBHSA-N -1 3 489.554 3.414 50 0 JGAAHM CC(C)CNC(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000033034325 519741413 /nfs/dbraw/zinc/74/14/13/519741413.db2.gz ORMZOPLGECSFEI-UHFFFAOYSA-N -1 3 470.639 3.162 50 0 JGAAHM CCCCN(CC)C(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2cccs2)c1 ZINC000033033297 520473380 /nfs/dbraw/zinc/47/33/80/520473380.db2.gz HWZFHUYYJHDYTR-UHFFFAOYSA-N -1 3 450.630 3.221 50 0 JGAAHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c([O-])c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000012350157 520481167 /nfs/dbraw/zinc/48/11/67/520481167.db2.gz IIFMJGKUWDHNOP-VOMPUTFMSA-N -1 3 484.961 3.166 50 0 JGAAHM CCOc1ccc(N(C)S(=O)(=O)c2ccc3ncc(C(=O)NCc4cccnc4)c([O-])c3c2)cc1 ZINC000004654501 521021705 /nfs/dbraw/zinc/02/17/05/521021705.db2.gz FALGXWUSODLULC-UHFFFAOYSA-N -1 3 492.557 3.077 50 0 JGAAHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3ccccc3)ccc2N2CCNCC2)cc1 ZINC000033033890 521207129 /nfs/dbraw/zinc/20/71/29/521207129.db2.gz JEKZEZUQDWIJBO-UHFFFAOYSA-N -1 3 494.617 3.226 50 0 JGAAHM CCOC(=O)c1sc2[n-]c(CN(C[C@H](O)COc3ccccc3)C(C)C)nc(=O)c2c1C ZINC000036207220 521619177 /nfs/dbraw/zinc/61/91/77/521619177.db2.gz HQYLXXOVBOYMPZ-INIZCTEOSA-N -1 3 459.568 3.120 50 0 JGAAHM COCC[N-]S(=O)(=O)c1ccc(-c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)s1 ZINC000064999728 523959780 /nfs/dbraw/zinc/95/97/80/523959780.db2.gz ZWPQQEXLXUXBCD-UHFFFAOYSA-N -1 3 460.533 3.321 50 0 JGAAHM COc1ccc(CNC(=O)CN2CCc3[n-]c4c(F)c(Cl)ccc4c(=O)c3C2)cc1OC ZINC000033278744 524050877 /nfs/dbraw/zinc/05/08/77/524050877.db2.gz BYYXWLDCVJKYIH-UHFFFAOYSA-N -1 3 459.905 3.425 50 0 JGAAHM Cc1ccc(C)c(C(=O)N2CCC(c3nc4c(nnn4Cc4ccc(F)cc4)c(=O)[n-]3)CC2)c1 ZINC000020440380 524084545 /nfs/dbraw/zinc/08/45/45/524084545.db2.gz VRNVXPBLPDKUNW-UHFFFAOYSA-N -1 3 460.513 3.339 50 0 JGAAHM Cc1cccc(CNC(=O)c2ccc(N3CCNCC3)c([N-]S(=O)(=O)c3cccc(C)c3)c2)c1 ZINC000033034377 524427768 /nfs/dbraw/zinc/42/77/68/524427768.db2.gz MYDNGIZRCOUKKE-UHFFFAOYSA-N -1 3 478.618 3.444 50 0 JGAAHM COc1ccc(NC(=O)N2CCC([N-]S(=O)(=O)c3cc(Cl)ccc3OC)CC2)cc1 ZINC000033122642 524541654 /nfs/dbraw/zinc/54/16/54/524541654.db2.gz PDNIZTBCSJKRON-UHFFFAOYSA-N -1 3 453.948 3.332 50 0 JGAAHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC3CCCC3)ccc2N2CCNCC2)cc1C ZINC000033034263 525590862 /nfs/dbraw/zinc/59/08/62/525590862.db2.gz UTJACMGAXORWDC-UHFFFAOYSA-N -1 3 456.612 3.186 50 0 JGAAHM Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nc3c(cnn3CCO)c(=O)[n-]2)cc1 ZINC000016837858 525987906 /nfs/dbraw/zinc/98/79/06/525987906.db2.gz POEFQGCICGKVEP-GOSISDBHSA-N -1 3 494.602 3.364 50 0 JGAAHM Cc1cc(-c2csc(S(=O)(=O)[N-]CCCN3CCN(Cc4ccccc4)CC3)c2)on1 ZINC000033290264 526050998 /nfs/dbraw/zinc/05/09/98/526050998.db2.gz VHNFVXXIQLUEJP-UHFFFAOYSA-N -1 3 460.625 3.198 50 0 JGAAHM COc1cccc(Cn2nnc3c2nc(C2CCN(C(=O)c4ccccc4Cl)CC2)[n-]c3=O)c1 ZINC000008612491 526111953 /nfs/dbraw/zinc/11/19/53/526111953.db2.gz CHCOUWWMNHNKEC-UHFFFAOYSA-N -1 3 478.940 3.245 50 0 JGAAHM COc1cccc(N2CCN(C(=O)C3CCC(C[N-]S(=O)(=O)c4cccs4)CC3)CC2)c1 ZINC000004794105 526146802 /nfs/dbraw/zinc/14/68/02/526146802.db2.gz SMTPZECIVHAETK-UHFFFAOYSA-N -1 3 477.652 3.190 50 0 JGAAHM O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000009378516 526492419 /nfs/dbraw/zinc/49/24/19/526492419.db2.gz OAVDIEOORJSPAK-NRFANRHFSA-N -1 3 497.573 3.419 50 0 JGAAHM Cc1noc(C)c1S(=O)(=O)N1CCCN(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)CC1 ZINC000014240854 526550327 /nfs/dbraw/zinc/55/03/27/526550327.db2.gz IRXQFPHNLZTJGC-UHFFFAOYSA-N -1 3 499.618 3.153 50 0 JGAAHM O=C(NCc1ccccc1F)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2cccs2)c1 ZINC000033034394 526752289 /nfs/dbraw/zinc/75/22/89/526752289.db2.gz GUJKXYMNLDBDDJ-UHFFFAOYSA-N -1 3 474.583 3.028 50 0 JGAAHM O=C(CSCc1nc(=O)c2c(-c3cccs3)csc2[n-]1)NCc1nnc2ccccn21 ZINC000022832750 527030336 /nfs/dbraw/zinc/03/03/36/527030336.db2.gz DDLPWKURIBPUTG-UHFFFAOYSA-N -1 3 468.589 3.305 50 0 JGAAHM O=C(Nc1ccc(F)cc1F)c1nnc(C[N-]S(=O)(=O)c2ccc(Br)cc2)s1 ZINC000064991806 527212457 /nfs/dbraw/zinc/21/24/57/527212457.db2.gz NMOKWSXJOLTQRV-UHFFFAOYSA-N -1 3 489.323 3.310 50 0 JGAAHM O=C(Cc1ccccc1F)N1CCC(c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[n-]2)CC1 ZINC000008613418 527288033 /nfs/dbraw/zinc/28/80/33/527288033.db2.gz GIQDOFMWBDUSPV-UHFFFAOYSA-N -1 3 464.476 3.202 50 0 JGAAHM O=C([N-]c1ccccc1F)c1nnc(COc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)s1 ZINC000033114314 527422818 /nfs/dbraw/zinc/42/28/18/527422818.db2.gz MBGSRJHEEGISQM-INIZCTEOSA-N -1 3 456.499 3.417 50 0 JGAAHM O=c1oc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)ccc2n1Cc1noc(C2CC2)n1 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CCOC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000100563716 569764796 /nfs/dbraw/zinc/76/47/96/569764796.db2.gz UZJRBXBWJZXSIB-RDJZCZTQSA-N -1 3 476.714 3.400 50 0 JGAAHM O=C(Oc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1)c1cccnc1 ZINC000036416752 569775706 /nfs/dbraw/zinc/77/57/06/569775706.db2.gz DJYSQTNLOXYJIU-YYDVJCTNSA-N -1 3 485.418 3.405 50 0 JGAAHM O=C(Nc1ccc(N2CCCCC2)c2ccncc12)c1cnc2c(c1)c(=O)[n-]c(=O)n2C1CC1 ZINC000036718634 569780366 /nfs/dbraw/zinc/78/03/66/569780366.db2.gz JHZGNJLJBVRTSU-UHFFFAOYSA-N -1 3 456.506 3.211 50 0 JGAAHM O=c1c(CN2CCc3ccccc3C2)coc([O-])c1CN1CCN(CCOc2ccccc2)CC1 ZINC000101375032 569795044 /nfs/dbraw/zinc/79/50/44/569795044.db2.gz FDODYQRDKITPIW-UHFFFAOYSA-N -1 3 475.589 3.100 50 0 JGAAHM O=c1occ(CN2CCc3ccccc3C2)c([O-])c1CN1CCN(CCOc2ccccc2)CC1 ZINC000101375032 569795045 /nfs/dbraw/zinc/79/50/45/569795045.db2.gz FDODYQRDKITPIW-UHFFFAOYSA-N -1 3 475.589 3.100 50 0 JGAAHM O=C(Nc1ccccc1[O-])C1CCN([C@H]2CC(=O)N(c3ccc(OC(F)(F)F)cc3)C2=O)CC1 ZINC000101490861 569799879 /nfs/dbraw/zinc/79/98/79/569799879.db2.gz JEGBHPTZPZZHSS-SFHVURJKSA-N -1 3 477.439 3.273 50 0 JGAAHM Cc1ccc(Cc2nn3c(nnc3SCC(=O)Nc3cccc(C(F)(F)F)c3)[n-]c2=O)cc1 ZINC000101621197 569801830 /nfs/dbraw/zinc/80/18/30/569801830.db2.gz NQJLDGBQXSDHIH-UHFFFAOYSA-N -1 3 474.468 3.461 50 0 JGAAHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)ccc2C)cc1 ZINC000101995172 569808669 /nfs/dbraw/zinc/80/86/69/569808669.db2.gz YAMUCLUFYZJDMQ-OYRHEFFESA-N -1 3 497.573 3.084 50 0 JGAAHM COC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)c(OC)c2)cc1 ZINC000102713506 569817033 /nfs/dbraw/zinc/81/70/33/569817033.db2.gz WASNZCDMELQKKI-RJGXRXQPSA-N -1 3 474.469 3.239 50 0 JGAAHM Cc1ccc(Br)c([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@@H](C(N)=O)CC[C@@H]3C)c2)c1 ZINC000040135685 569817400 /nfs/dbraw/zinc/81/74/00/569817400.db2.gz OYQITLDPSMCZGM-HOCLYGCPSA-N -1 3 494.411 3.284 50 0 JGAAHM O=C(NCc1ccc(Cl)cc1)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000040149829 569819369 /nfs/dbraw/zinc/81/93/69/569819369.db2.gz SYWIRGLHVUDLNE-QFIPXVFZSA-N -1 3 472.950 3.447 50 0 JGAAHM CC(=O)N1c2cc(S(=O)(=O)[N-]CCN3CCCc4ccccc43)c(Br)cc2C[C@H]1C ZINC000040450748 569828941 /nfs/dbraw/zinc/82/89/41/569828941.db2.gz SHNJRIUFRKAFMZ-OAHLLOKOSA-N -1 3 492.439 3.478 50 0 JGAAHM COc1ccccc1NC(=O)C1CC(=O)Nc2nc(SCc3ccc(F)cc3)[n-]c(=O)c21 ZINC000046075439 569844149 /nfs/dbraw/zinc/84/41/49/569844149.db2.gz DOHPRRJAIKQZBR-AWEZNQCLSA-N -1 3 454.483 3.274 50 0 JGAAHM O=C(Nc1cc(F)cc(F)c1)C1CC(=O)Nc2nc(SCCc3ccccc3)[n-]c(=O)c21 ZINC000046075679 569844529 /nfs/dbraw/zinc/84/45/29/569844529.db2.gz IPQOXZPNZJSQHU-MRXNPFEDSA-N -1 3 456.474 3.447 50 0 JGAAHM COc1ccc(C)c2cc(CC[N-]S(=O)(=O)c3ccc(Br)s3)c(=O)[nH]c12 ZINC000049597365 569849571 /nfs/dbraw/zinc/84/95/71/569849571.db2.gz PGPDHTLVMNCRFU-UHFFFAOYSA-N -1 3 457.371 3.190 50 0 JGAAHM CCOc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 ZINC000051316533 569850778 /nfs/dbraw/zinc/85/07/78/569850778.db2.gz QUYHCOOFTLFFMM-HNNXBMFYSA-N -1 3 479.562 3.486 50 0 JGAAHM CCOc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 ZINC000051316533 569850779 /nfs/dbraw/zinc/85/07/79/569850779.db2.gz QUYHCOOFTLFFMM-HNNXBMFYSA-N -1 3 479.562 3.486 50 0 JGAAHM COc1cc([C@@H]2[C@@H](S(=O)(=O)[N-]Cc3ccccn3)CON2C)ccc1OCc1ccccc1 ZINC000105049283 569852502 /nfs/dbraw/zinc/85/25/02/569852502.db2.gz VBJWRZFOXMDIPD-BJKOFHAPSA-N -1 3 469.563 3.076 50 0 JGAAHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000227154665 570040006 /nfs/dbraw/zinc/04/00/06/570040006.db2.gz KGRLZJSSRKUMLT-UHFFFAOYSA-N -1 3 451.595 3.236 50 0 JGAAHM C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[N-]c2nnc([C@H]3COc4ccccc4O3)o2)cc1 ZINC000248109521 570074133 /nfs/dbraw/zinc/07/41/33/570074133.db2.gz QDDFDXZLOZWCEK-FOIQADDNSA-N -1 3 484.534 3.398 50 0 JGAAHM CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Cl)ccc3[O-])c(=O)n2[C@H]1c1ccccc1 ZINC000252667755 570091089 /nfs/dbraw/zinc/09/10/89/570091089.db2.gz DKXMSTALKWZLEO-FQEVSTJZSA-N -1 3 454.935 3.157 50 0 JGAAHM COC(=O)C[C@@H](c1ccco1)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1[O-] ZINC000263585892 570171473 /nfs/dbraw/zinc/17/14/73/570171473.db2.gz NPCJPIXLWYEFLC-SFHVURJKSA-N -1 3 469.490 3.209 50 0 JGAAHM