smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2I)cc1 ZINC000408770946 1069739314 /nfs/dbraw/zinc/73/93/14/1069739314.db2.gz BFBLKXXCEJMLEQ-RQZCQDPDSA-N -2 0 637.213 5.542 40 10 KKCBRL CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=S)N(c4ccc(C(=O)[O-])cc4)C3=O)c2-c2ccccc2)cc1 ZINC000409191134 1069797951 /nfs/dbraw/zinc/79/79/51/1069797951.db2.gz SYBROIRWVNSYHB-OFWBYEQRSA-N -2 0 641.705 6.518 40 10 KKCBRL O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4Cl)C3=O)o2)cc1Cl ZINC000408781059 1069905244 /nfs/dbraw/zinc/90/52/44/1069905244.db2.gz QWIGERDNTANWAG-UKTHLTGXSA-N -2 0 521.765 5.436 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000408858523 1070070159 /nfs/dbraw/zinc/07/01/59/1070070159.db2.gz PTGNTTZXPUJOQN-CXUHLZMHSA-N -2 0 636.307 5.873 40 10 KKCBRL Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(C(=O)[O-])cc4)ccc4ccccc43)C2=O)c1 ZINC000408899591 1070158580 /nfs/dbraw/zinc/15/85/80/1070158580.db2.gz PKAJXUPFXXTYBI-WGOQTCKBSA-N -2 0 520.541 5.400 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408936646 1070277367 /nfs/dbraw/zinc/27/73/67/1070277367.db2.gz HCJFUIGTHWKLHF-VXLYETTFSA-N -2 0 630.245 5.164 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409065028 1070481135 /nfs/dbraw/zinc/48/11/35/1070481135.db2.gz KJQLOCJUAWTJFI-KEBDBYFISA-N -2 0 646.821 5.287 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000408896661 1070830812 /nfs/dbraw/zinc/83/08/12/1070830812.db2.gz GZBYOIWDHCEZGY-RGVLZGJSSA-N -2 0 646.821 5.287 40 10 KKCBRL CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc(C(=O)[O-])c4)c(Cl)c3)C(=O)[N-]C2=S)cc1 ZINC000409381532 1070898885 /nfs/dbraw/zinc/89/88/85/1070898885.db2.gz HTZGPZGINBUHQX-FYJGNVAPSA-N -2 0 520.994 5.011 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000408902534 1070909721 /nfs/dbraw/zinc/90/97/21/1070909721.db2.gz JGGYAGFCYJQZRD-RGVLZGJSSA-N -2 0 644.272 5.554 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387378 1070909007 /nfs/dbraw/zinc/90/90/07/1070909007.db2.gz WFVGRDMABHDIMK-YBFXNURJSA-N -2 0 584.517 5.326 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000408900813 1070927228 /nfs/dbraw/zinc/92/72/28/1070927228.db2.gz VILYLLRJMHNMIZ-VXLYETTFSA-N -2 0 585.794 5.055 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000408899307 1070948042 /nfs/dbraw/zinc/94/80/42/1070948042.db2.gz OGNXEJZOCUMJSS-WSDLNYQXSA-N -2 0 548.979 5.299 40 10 KKCBRL Cc1ccc2nc(-c3ccc(NN=C4C=C(S(=O)(=O)[O-])c5ccccc5C4=O)cc3)sc2c1S(=O)(=O)[O-] ZINC000263603020 1071225394 /nfs/dbraw/zinc/22/53/94/1071225394.db2.gz NAXWWTPJXAIEJE-UHFFFAOYSA-N -2 0 555.615 6.039 40 10 KKCBRL CC(=O)Nc1cc2c(cc1S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N=Nc1ccc(C(=O)Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)cc1)c2O ZINC000263595681 1071323278 /nfs/dbraw/zinc/32/32/78/1071323278.db2.gz DVROPABFANSCGB-UHFFFAOYSA-N -3 0 768.764 6.327 40 10 KKCBRL COc1cc(-c2ccc(NN=C3C=Cc4c(S(=O)(=O)[O-])ccc(N)c4C3=O)c(OC)c2)ccc1NN=C1C=Cc2c(S(=O)(=O)[O-])ccc(N)c2C1=O ZINC000150460419 1071327015 /nfs/dbraw/zinc/32/70/15/1071327015.db2.gz LJYNGPGCTAINSF-NGHPONOGSA-N -2 0 744.764 7.577 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408937369 1071341449 /nfs/dbraw/zinc/34/14/49/1071341449.db2.gz JAEVQNWCRYHFRD-RGVLZGJSSA-N -2 0 599.821 5.445 40 10 KKCBRL O=C([O-])c1cccc(-c2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)o2)c1 ZINC000408953267 1071396961 /nfs/dbraw/zinc/39/69/61/1071396961.db2.gz PLMSRGJKVBVCFR-WGARJPEWSA-N -2 0 536.584 5.779 40 10 KKCBRL COc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)[N-]C2=S)cc1 ZINC000408992761 1071571106 /nfs/dbraw/zinc/57/11/06/1071571106.db2.gz BQWWXVSUQKKVKE-VXLYETTFSA-N -2 0 740.313 5.013 40 10 KKCBRL O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)o2)c1 ZINC000408756522 1071638879 /nfs/dbraw/zinc/63/88/79/1071638879.db2.gz VXBBKZGMHYNKKE-NTEUORMPSA-N -2 0 505.697 5.271 40 10 KKCBRL Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408752092 1071666778 /nfs/dbraw/zinc/66/67/78/1071666778.db2.gz FULFFFVBHXAXAT-VXLYETTFSA-N -2 0 556.800 5.183 40 10 KKCBRL Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000409013509 1071679286 /nfs/dbraw/zinc/67/92/86/1071679286.db2.gz NOQYJWNLYNREGX-UHFFFAOYSA-N -2 0 610.667 6.173 40 10 KKCBRL CCOc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[n-]n(-c3ccccc3)c2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000409023983 1071713721 /nfs/dbraw/zinc/71/37/21/1071713721.db2.gz GHCBAYJHJJOCNL-UHFFFAOYSA-N -2 0 635.120 7.538 40 10 KKCBRL Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C(=O)[N-]C1=S ZINC000408775175 1071756845 /nfs/dbraw/zinc/75/68/45/1071756845.db2.gz FLXXJBRFZWJEOE-YBFXNURJSA-N -2 0 677.314 5.471 40 10 KKCBRL Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)c1 ZINC000408781646 1071814923 /nfs/dbraw/zinc/81/49/23/1071814923.db2.gz DNWVWPPTNLPYCL-KEBDBYFISA-N -2 0 675.273 5.614 40 10 KKCBRL O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2I)cc1 ZINC000408778786 1071834500 /nfs/dbraw/zinc/83/45/00/1071834500.db2.gz KRPIYZRYWKOLJR-RQZCQDPDSA-N -2 0 653.281 5.707 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408786437 1071851205 /nfs/dbraw/zinc/85/12/05/1071851205.db2.gz PXPOLUQGDOZNBQ-RGVLZGJSSA-N -2 0 646.821 5.287 40 10 KKCBRL O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4Cl)C3=O)cc2Br)cc1 ZINC000409074401 1072039881 /nfs/dbraw/zinc/03/98/81/1072039881.db2.gz QVJPUEPXOUACRF-GZTJUZNOSA-N -2 0 555.768 5.046 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000409073919 1072072286 /nfs/dbraw/zinc/07/22/86/1072072286.db2.gz OBPMPQFTKABWQU-LICLKQGHSA-N -2 0 545.762 5.590 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000409069024 1072106361 /nfs/dbraw/zinc/10/63/61/1072106361.db2.gz UGJIYJPCJCMMAF-VXLYETTFSA-N -2 0 618.209 5.294 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000409067738 1072116188 /nfs/dbraw/zinc/11/61/88/1072116188.db2.gz PPMYZBJSQFQZQT-YBFXNURJSA-N -2 0 600.219 5.155 40 10 KKCBRL Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)cc1Cl ZINC000409333647 1072352919 /nfs/dbraw/zinc/35/29/19/1072352919.db2.gz IECHXHHWXRBWNQ-LSCVHKIXSA-N -2 0 695.691 5.959 40 10 KKCBRL CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)C2=O)cc1OC ZINC000409138337 1072570437 /nfs/dbraw/zinc/57/04/37/1072570437.db2.gz ADRWFOPTYPXKIR-SRZZPIQSSA-N -2 0 613.450 5.730 40 10 KKCBRL CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(OCC)c3)C2=O)cc1OC ZINC000409148725 1072640537 /nfs/dbraw/zinc/64/05/37/1072640537.db2.gz QVZGYFBTKRBKEK-YDZHTSKRSA-N -2 0 714.509 5.427 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409385209 1072695262 /nfs/dbraw/zinc/69/52/62/1072695262.db2.gz IKOFTKYBZPQABM-YBFXNURJSA-N -2 0 523.998 5.052 40 10 KKCBRL CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4sc5c(c4C(=O)[O-])CCCC5)c3C)C(=O)[N-]C2=S)cc1 ZINC000409384313 1072700285 /nfs/dbraw/zinc/70/02/85/1072700285.db2.gz ATNKZVRUZAABHH-KGENOOAVSA-N -2 0 533.675 5.126 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409380099 1072720488 /nfs/dbraw/zinc/72/04/88/1072720488.db2.gz HOWAWHVMFUIJSQ-LPYMAVHISA-N -2 0 656.498 5.361 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409196138 1072834127 /nfs/dbraw/zinc/83/41/27/1072834127.db2.gz XFKWBWMRYGECCD-WKULSOCRSA-N -2 0 579.722 6.091 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409190458 1072868724 /nfs/dbraw/zinc/86/87/24/1072868724.db2.gz NXBZDNGXINOCKX-WGOQTCKBSA-N -2 0 569.614 5.342 40 10 KKCBRL O=C([O-])c1ccc(N2C(=O)/C(=C/c3cn(Cc4cccc5ccccc54)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000409190072 1072872029 /nfs/dbraw/zinc/87/20/29/1072872029.db2.gz VRTHTFCZVLMARI-WGOQTCKBSA-N -2 0 531.593 5.372 40 10 KKCBRL O=C1C=CC(=NNc2ccc(S(=O)(=O)[O-])cc2)C(N=NC2=CC(=O)C=CC2=NNc2ccc(S(=O)(=O)[O-])cc2)=C1 ZINC000100367779 193904154 /nfs/dbraw/zinc/90/41/54/193904154.db2.gz UFDBSDOISIRFAX-OUBLILEFSA-N -2 0 582.576 6.837 40 10 KKCBRL COc1cc(/N=N/c2cccc(C(=O)[O-])c2)ccc1NC(=O)Nc1ccc(/N=N/c2cccc(C(=O)[O-])c2)cc1OC ZINC000004268058 552455098 /nfs/dbraw/zinc/45/50/98/552455098.db2.gz FFFKEBOIHPEMGQ-XUXOKTBYSA-N -2 0 568.546 7.575 40 10 KKCBRL COc1cc(N=Nc2cccc(S(=O)(=O)[O-])c2)ccc1NC(=O)Nc1ccc(NN=C2C=CC(=O)C(C(=O)[O-])=C2)cc1 ZINC000004683089 552471488 /nfs/dbraw/zinc/47/14/88/552471488.db2.gz QLPXEVTZQMICLN-RRPBDJRISA-N -2 0 590.574 6.821 40 10 KKCBRL O=C1C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000004726982 552472999 /nfs/dbraw/zinc/47/29/99/552472999.db2.gz OGDZEWOOSQLJRN-QSZPNPOGSA-N -3 0 592.589 5.116 40 10 KKCBRL O=C1C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccc(N=Nc2ccccc2)cc1 ZINC000004726981 552473031 /nfs/dbraw/zinc/47/30/31/552473031.db2.gz QHXMGBJYVJFXEU-QSZPNPOGSA-N -2 0 512.525 5.870 40 10 KKCBRL Cc1cc(C)c(N=NC2=CC(=[NH+][N-]c3c(C)cc(C)cc3S(=O)(=O)[O-])c3ccccc3C2=O)c(S(=O)(=O)[O-])c1 ZINC000004887218 552488520 /nfs/dbraw/zinc/48/85/20/552488520.db2.gz FKLXKNMPDFTFPS-QAVVBOBSSA-N -2 0 568.633 7.103 40 10 KKCBRL O=C1C=Cc2ccc(S(=O)(=O)[O-])cc2C1=NNc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000018125753 553605420 /nfs/dbraw/zinc/60/54/20/553605420.db2.gz MNWZRTYAQWJKPK-RIIXPHEHSA-N -2 0 512.525 5.870 40 10 KKCBRL Cc1cc(-c2ccc(NN=C3C(=O)c4c(O)cc(S(=O)(=O)[O-])cc4C=C3S(=O)(=O)[O-])c(C)c2)ccc1NN=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O ZINC000095101007 553699890 /nfs/dbraw/zinc/69/98/90/553699890.db2.gz VKYPCMAKLFPTTC-ATXIYDNESA-N -3 0 778.799 7.965 40 10 KKCBRL Nc1ccc2c(c1)C(=O)C(=NNc1ccc(-c3ccc(NN=C4C(=O)c5c(N)cc(S(=O)(=O)[O-])cc5C=C4S(=O)(=O)[O-])cc3)cc1)C(S(=O)(=O)[O-])=C2 ZINC000095101027 553700169 /nfs/dbraw/zinc/70/01/69/553700169.db2.gz JDKKCKKFTIMFFD-ATXIYDNESA-N -3 0 764.776 6.807 40 10 KKCBRL Nc1cccc(NN=C2C(=O)c3ccc(NC(=O)Nc4ccc5c(c4)C=C(S(=O)(=O)[O-])C(=NNc4cccc(N)c4)C5=O)cc3C=C2S(=O)(=O)[O-])c1 ZINC000095538236 553703049 /nfs/dbraw/zinc/70/30/49/553703049.db2.gz PBUWOKNWPFTLNR-QYGUTFKISA-N -2 0 742.752 7.537 40 10 KKCBRL CCOc1cc(-c2ccc(NN=C3C(=O)c4cc(N)ccc4C=C3S(=O)(=O)[O-])cc2)ccc1N=Nc1c(O)c2cc(N)ccc2cc1S(=O)(=O)[O-] ZINC000095549160 553703659 /nfs/dbraw/zinc/70/36/59/553703659.db2.gz PTQVNAIKTPZSKK-HVMBLDELSA-N -2 0 728.765 7.959 40 10 KKCBRL Nc1ccc(N=Nc2ccc(S(=O)(=O)Nc3ccc(N=Nc4c(N)c5c(cc4S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C(=NNc4ccccc4)C5=O)cc3)cc2)c(N)c1 ZINC000097950095 553803405 /nfs/dbraw/zinc/80/34/05/553803405.db2.gz ZCJMFVUTNJRMFR-MGDYUOCISA-N -2 0 816.860 7.832 40 10 KKCBRL Cc1cc(C2(c3ccc(NN=C4C(=O)c5cc(O)ccc5C=C4S(=O)(=O)[O-])c(C)c3)CCCCC2)ccc1NN=C1C(=O)c2cc(O)ccc2C=C1S(=O)(=O)[O-] ZINC000097950097 553803492 /nfs/dbraw/zinc/80/34/92/553803492.db2.gz AGZQJVVQOQGFKV-CHQNLTHESA-N -2 0 796.880 10.007 40 10 KKCBRL COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000033321544 553920691 /nfs/dbraw/zinc/92/06/91/553920691.db2.gz UITOUUIWBNVTFF-NDENLUEZSA-N -2 0 506.898 5.133 40 10 KKCBRL O=C(Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc1)C2=O)c1ccccc1 ZINC000033352874 553922570 /nfs/dbraw/zinc/92/25/70/553922570.db2.gz IGXZMQCLUNTWCC-HSBKYFPUSA-N -2 0 631.648 7.122 40 10 in-vitro KKCBRL O=C([O-])c1ccc(Cl)c(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)o2)c1 ZINC000033355545 553935292 /nfs/dbraw/zinc/93/52/92/553935292.db2.gz LPJPBFZCANORLI-MXAYSNPKSA-N -2 0 571.029 7.273 40 10 KKCBRL O=S(=O)([O-])c1ccc(N=Nc2ccc(N=Nc3c(O)ccc4ccccc43)c(S(=O)(=O)[O-])c2)cc1 ZINC000100072557 554202447 /nfs/dbraw/zinc/20/24/47/554202447.db2.gz BYABGQJPCPYPSZ-HXEHWPEMSA-N -2 0 512.525 5.870 40 10 KKCBRL Cc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000103794686 555481826 /nfs/dbraw/zinc/48/18/26/555481826.db2.gz VKRCRFXETWWOQU-UHFFFAOYSA-N -2 0 549.539 5.074 40 10 KKCBRL Cc1[n-]n(C(=O)CC(=O)Nc2cccc(C)c2)c(=O)c1N=Nc1ccc(S(=O)(=O)c2ccc(N=Nc3c(C)[n-]n(C(=O)CC(=O)Nc4cccc(C)c4)c3=O)cc2)cc1 ZINC000150448562 562843407 /nfs/dbraw/zinc/84/34/07/562843407.db2.gz CGBQIISCEQELFS-VWSKUCKHSA-N -2 0 816.857 5.588 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000103852654 571365647 /nfs/dbraw/zinc/36/56/47/571365647.db2.gz HRVXIQQVNWOUIJ-WOJGMQOQSA-N -2 0 599.434 5.095 40 10 KKCBRL CC(=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1 ZINC000103921166 571369721 /nfs/dbraw/zinc/36/97/21/571369721.db2.gz CWOLXMDPPCAAPR-PLRJNAJWSA-N -2 0 584.683 5.839 40 10 KKCBRL Cc1cc(N=Nc2ccc(C(=O)[O-])cc2)c(N)c(N=Nc2ccc(NN=C3C=CC(=O)C(C(=O)[O-])=C3)cc2)c1N ZINC000104048947 571371754 /nfs/dbraw/zinc/37/17/54/571371754.db2.gz KQHQVUTZYQDCGM-HXLMCVILSA-N -2 0 538.524 7.508 40 10 KKCBRL Cc1cc(/N=N\c2ccc(N)cc2C)ccc1/N=N/c1ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2c1 ZINC000104050427 571371802 /nfs/dbraw/zinc/37/18/02/571371802.db2.gz QZLVDWCKLZRIRS-CMFFYZNBSA-N -2 0 539.595 6.363 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2cccc(C(=O)[O-])c2)c1N ZINC000104050146 571371813 /nfs/dbraw/zinc/37/18/13/571371813.db2.gz YYZYZOATRZLVNL-GRKJPLEWSA-N -2 0 614.622 9.175 40 10 KKCBRL COc1cc(N=Nc2ccc(S(=O)(=O)[O-])cc2)ccc1NN=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O ZINC000104389099 571379832 /nfs/dbraw/zinc/37/98/32/571379832.db2.gz XOTQPIXCCVYCLG-OUYNTLDRSA-N -2 0 542.551 5.878 40 10 KKCBRL COc1cc(N=Nc2ccc(S(=O)(=O)[O-])cc2)ccc1N=Nc1c(O)c2ccccc2cc1S(=O)(=O)[O-] ZINC000104389088 571379912 /nfs/dbraw/zinc/37/99/12/571379912.db2.gz AVECTOQUNREBSH-RNDSACKQSA-N -2 0 542.551 5.878 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(C(=O)[O-])cc2)c1N ZINC000104389160 571379949 /nfs/dbraw/zinc/37/99/49/571379949.db2.gz JFQFXEDASJBRFE-QAPVMQAESA-N -2 0 614.622 9.175 40 10 KKCBRL Cc1cc(/N=N\c2ccc(NC(=O)c3ccc(N)cc3)cc2C)ccc1/N=N/c1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-] ZINC000104389528 571380042 /nfs/dbraw/zinc/38/00/42/571380042.db2.gz DHXXCADSLBHHQX-SSXVINJQSA-N -2 0 608.658 6.462 40 10 KKCBRL CCCc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000113473894 571438820 /nfs/dbraw/zinc/43/88/20/571438820.db2.gz XWVBXJSVOPPWQV-QJOMJCCJSA-N -2 0 511.579 5.120 40 10 KKCBRL Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccc(-c3ccc(NN=C4C=CC(=O)C=C4)cc3)cc1)C(S(=O)(=O)[O-])=C2 ZINC000150339665 571457521 /nfs/dbraw/zinc/45/75/21/571457521.db2.gz STOOUUMSJPLRNI-ITEZJMJWSA-N -2 0 768.746 9.148 40 10 KKCBRL Cc1ccc(S(=O)(=O)Oc2ccc(/N=N/c3ccc(-c4ccc(/N=N/c5c(N)c(S(=O)(=O)[O-])cc6cc(S(=O)(=O)[O-])ccc65)cc4)cc3)cc2)cc1 ZINC000150363389 571464371 /nfs/dbraw/zinc/46/43/71/571464371.db2.gz KZKGWVLEJATMQM-DEPRKFIZSA-N -2 0 757.828 8.489 40 10 KKCBRL Cc1cc(C)c(N=Nc2c(O)c3ccc(N=Nc4ccc(NC(=O)c5ccc(N)cc5)cc4C)cc3cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1 ZINC000150367671 571465094 /nfs/dbraw/zinc/46/50/94/571465094.db2.gz FONSAFAAZUIRET-RLUKNFBTSA-N -2 0 688.744 7.629 40 10 KKCBRL Cc1cc(N=Nc2ccc(NC(=O)c3ccc(N)cc3)cc2C)ccc1N=Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc(S(=O)(=O)[O-])cc1)c2O ZINC000150367716 571465115 /nfs/dbraw/zinc/46/51/15/571465115.db2.gz WWCSCPADJCGIHC-IRCDASDCSA-N -2 0 778.829 9.736 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(N)cc2)ccc1/N=N/c1ccc(/N=N\c2ccc3c(O)cc(S(=O)(=O)[O-])cc3c2)c2cc(S(=O)(=O)[O-])ccc12 ZINC000150368121 571465164 /nfs/dbraw/zinc/46/51/64/571465164.db2.gz MGEUYNUIICICAX-NGHPONOGSA-N -3 0 710.750 8.166 40 10 KKCBRL Cc1ccccc1N=Nc1ccc(N=Nc2c(N)c(N=Nc3ccc(-c4ccc(NN=C5C=CC(=O)C(C(=O)[O-])=C5)cc4)cc3)cc(S(=O)(=O)[O-])c2N)c(C)c1 ZINC000150367970 571465167 /nfs/dbraw/zinc/46/51/67/571465167.db2.gz KFYXJYDEUYFMDW-GMWROJRTSA-N -2 0 768.816 11.447 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(-c3ccc(NN=C4C(=O)c5ccc(Nc6ccccc6)cc5C=C4S(=O)(=O)[O-])cc3)cc2)C=CC1=O ZINC000150368152 571465279 /nfs/dbraw/zinc/46/52/79/571465279.db2.gz RZAHKAAVHNDUQR-HVMBLDELSA-N -2 0 659.680 9.437 40 10 KKCBRL CN(C)C(=O)c1ccc(N=Nc2c(N)c(N=Nc3ccc(-c4ccc(NN=C5C=CC(=O)C(C(=O)[O-])=C5)cc4)cc3)cc(S(=O)(=O)[O-])c2N)cc1 ZINC000150368139 571465310 /nfs/dbraw/zinc/46/53/10/571465310.db2.gz JTCAWZZMHMZTFB-ZFEHFAFLSA-N -2 0 707.729 8.117 40 10 KKCBRL Nc1c(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)cc(S(=O)(=O)[O-])c(N)c1N=Nc1ccc(-c2ccccc2)cc1 ZINC000150368208 571465319 /nfs/dbraw/zinc/46/53/19/571465319.db2.gz AHIZLDBCPUKJPV-ZBZMEVMPSA-N -2 0 712.748 10.082 40 10 KKCBRL Nc1c(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)cc(S(=O)(=O)[O-])c(N)c1N=Nc1ccc(-c2ccccc2)cc1 ZINC000150368202 571465327 /nfs/dbraw/zinc/46/53/27/571465327.db2.gz AHIZLDBCPUKJPV-SAIYGHIZSA-N -2 0 712.748 10.082 40 10 KKCBRL Cc1[n-]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000150368288 571465407 /nfs/dbraw/zinc/46/54/07/571465407.db2.gz AXFHOEHARHKREM-QNVXDBMFSA-N -2 0 656.827 7.488 40 10 KKCBRL Cc1cc(-c2ccc(/N=N\c3c(N)c(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])ccc43)c(C)c2)ccc1/N=N/c1cc(S(=O)(=O)[O-])c2ccccc2c1N ZINC000150386576 571469376 /nfs/dbraw/zinc/46/93/76/571469376.db2.gz LIFWPZLVTZZVLJ-NVXIXPEWSA-N -3 0 760.832 8.012 40 10 KKCBRL COc1ccc(-c2[n-]n(-c3nc4ccccc4s3)c(=O)c2C(C)=Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)nn3)cc2)cc1 ZINC000150392927 571474744 /nfs/dbraw/zinc/47/47/44/571474744.db2.gz WPCYJPFIHRCPCG-ONUIUJJFSA-N -2 0 632.127 5.686 40 10 KKCBRL Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=Nc1ccc(-c2ccc(NN=C3C=CC(=O)C(C(=O)[O-])=C3)c(C)c2)cc1C ZINC000150397225 571476760 /nfs/dbraw/zinc/47/67/60/571476760.db2.gz FLGGPQAQNMECGO-ATKLANMESA-N -3 0 626.651 7.651 40 10 KKCBRL O=C([O-])c1ccc(Oc2cccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(/N=N/c5ccccc5)cc3)C4=O)c2)cc1C(=O)[O-] ZINC000150430676 571493288 /nfs/dbraw/zinc/49/32/88/571493288.db2.gz TVAKGIYEAGPLNJ-HEFFKOSUSA-N -2 0 626.581 7.344 40 10 KKCBRL O=C1C=Cc2ccccc2C1=NNc1ccc(C=Cc2ccc(NN=C3C(=O)C=Cc4ccccc43)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1 ZINC000150468354 571508412 /nfs/dbraw/zinc/50/84/12/571508412.db2.gz ITHIYCYVWVTJNE-QOOGAGQUSA-N -2 0 680.720 8.899 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(C=Cc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)C=CC1=O ZINC000150468319 571508417 /nfs/dbraw/zinc/50/84/17/571508417.db2.gz JYKFGONUYXGBJT-ICDUJXSBSA-N -4 0 668.618 5.989 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(C=Cc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)C=CC1=O ZINC000150468313 571508464 /nfs/dbraw/zinc/50/84/64/571508464.db2.gz JYKFGONUYXGBJT-KXTAWYTHSA-N -4 0 668.618 5.989 40 10 KKCBRL O=C1C=CC(=NNc2ccc(C=Cc3ccc(NN=C4C=CC(=O)c5ccccc54)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)c2ccccc21 ZINC000150468335 571508492 /nfs/dbraw/zinc/50/84/92/571508492.db2.gz YGDXUVZMTOEEOK-QOOGAGQUSA-N -2 0 680.720 8.899 40 10 KKCBRL COc1cc(/N=N\c2ccc3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c3c2)ccc1/N=N/c1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1C ZINC000150475613 571510725 /nfs/dbraw/zinc/51/07/25/571510725.db2.gz CGBGIPVEMXYBAV-ISDDYYRWSA-N -2 0 778.825 8.986 40 10 KKCBRL Cc1ccc(N=Nc2ccc(N=Nc3c(O)c4ccc(Nc5ccccc5)cc4cc3S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])ccc23)cc1 ZINC000150475578 571510726 /nfs/dbraw/zinc/51/07/26/571510726.db2.gz XUTMNRPZAMMJOA-GRNCQUCOSA-N -2 0 667.725 9.075 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(-c3ccc(NN=c4ccc(=O)c(=NNc5ccc(S(=O)(=O)[O-])c6ccccc56)c4=O)cc3)cc2)C=CC1=O ZINC000150476990 571511103 /nfs/dbraw/zinc/51/11/03/571511103.db2.gz NMPIFMYZEIQYPQ-HYGRMQNNSA-N -2 0 688.678 9.815 40 10 KKCBRL Nc1cc(N)c(N=Nc2ccc(-c3ccc(N=Nc4c(N)c5c(cc4S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C(=NNc4ccccc4)C5=O)cc3)cc2)cc1Cl ZINC000150482850 571513419 /nfs/dbraw/zinc/51/34/19/571513419.db2.gz HMZPHXXSHKBETL-SUPSCXDBSA-N -2 0 772.225 9.352 40 10 KKCBRL COc1cc(N=Nc2ccc(S(=O)(=O)[O-])cc2)ccc1NN=C1c2ccc(S(=O)(=O)[O-])cc2C=C(S(=O)(=O)[O-])C1=O ZINC000150485078 571515613 /nfs/dbraw/zinc/51/56/13/571515613.db2.gz KKPWWSQRABXCKS-RNDSACKQSA-N -3 0 622.615 5.125 40 10 KKCBRL Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccc([N+](=O)[O-])cc1)C(S(=O)(=O)[O-])=C2 ZINC000150485063 571515624 /nfs/dbraw/zinc/51/56/24/571515624.db2.gz DLXYNWYHZXKBET-DQAYTMIDSA-N -2 0 617.534 5.268 40 10 KKCBRL COc1cc(N=Nc2ccc(S(=O)(=O)[O-])cc2)ccc1NN=C1c2ccc(S(=O)(=O)[O-])cc2C=C(S(=O)(=O)[O-])C1=O ZINC000150485086 571515633 /nfs/dbraw/zinc/51/56/33/571515633.db2.gz KKPWWSQRABXCKS-JQRDNDPDSA-N -3 0 622.615 5.125 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(CC(=O)[O-])cc2)c1N ZINC000150485177 571515749 /nfs/dbraw/zinc/51/57/49/571515749.db2.gz FTZFOSODKHQRNT-XSPVDOFASA-N -2 0 628.649 9.104 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(N)cc2)ccc1/N=N/c1ccc(/N=N\c2ccc3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c3c2)c(C)c1 ZINC000150485401 571515771 /nfs/dbraw/zinc/51/57/71/571515771.db2.gz ZNQZPVZEOOADIY-XVIRNCMOSA-N -2 0 658.718 7.615 40 10 KKCBRL COc1cc(N=Nc2ccc(-c3ccc(N=Nc4c(N)c5c(cc4S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C(=NNc4ccccc4)C5=O)cc3)cc2)c(C)cc1N ZINC000150485188 571515785 /nfs/dbraw/zinc/51/57/85/571515785.db2.gz IUOAZLCHXMJGSD-IJUCUBSCSA-N -2 0 766.818 9.433 40 10 KKCBRL Cc1cc(N=Nc2ccc(Sc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(S(=O)(=O)[O-])cc2)c1N ZINC000150485417 571515798 /nfs/dbraw/zinc/51/57/98/571515798.db2.gz OKXJENZJSYUYBE-BKYIOHPISA-N -2 0 682.744 9.207 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)[O-])cc3)cc2)c1N ZINC000150485577 571515889 /nfs/dbraw/zinc/51/58/89/571515889.db2.gz ZFFXGMZEQZCKFS-HKRTXQMBSA-N -2 0 769.800 9.975 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(N=Nc4c(N)c5c(cc4S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C(=NNc4ccccc4)C5=O)cc3)cc2)c(N)cc1N ZINC000150488797 571516923 /nfs/dbraw/zinc/51/69/23/571516923.db2.gz BKBDZNUWZUWXOC-IJUCUBSCSA-N -2 0 751.807 9.007 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000164459918 571548157 /nfs/dbraw/zinc/54/81/57/571548157.db2.gz QDXDHLKMNJYJFE-VXLYETTFSA-N -2 0 630.245 5.164 40 10 KKCBRL O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Br)cc4)C3=O)cc2I)cc1 ZINC000164480566 571548859 /nfs/dbraw/zinc/54/88/59/571548859.db2.gz LILWVPCMAWLGRZ-YBFXNURJSA-N -2 0 663.287 5.162 40 10 KKCBRL COc1ccccc1NC(=O)C(N=Nc1ccc(-c2nc3ccc(C)c(S(=O)(=O)[O-])c3s2)cc1S(=O)(=O)[O-])C(C)=O ZINC000299888386 572141168 /nfs/dbraw/zinc/14/11/68/572141168.db2.gz HHYSEQAHYOCMSH-UIEBSGBQSA-N -2 0 618.671 5.286 40 10 KKCBRL COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C(=O)[O-])o1 ZINC000408634308 572291372 /nfs/dbraw/zinc/29/13/72/572291372.db2.gz UDGRFGJYEHITKE-NHDPSOOVSA-N -2 0 525.970 5.722 40 10 KKCBRL Cc1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4Cl)C3=O)o2)cc1C(=O)[O-] ZINC000408859141 1070080627 /nfs/dbraw/zinc/08/06/27/1070080627.db2.gz WTQSREUXRIFBIA-XNTDXEJSSA-N -2 0 501.347 5.091 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408933878 1070267443 /nfs/dbraw/zinc/26/74/43/1070267443.db2.gz BWUWEFHTXJVKQD-ZVHZXABRSA-N -2 0 662.436 5.787 40 10 KKCBRL Cc1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000408937328 1070290962 /nfs/dbraw/zinc/29/09/62/1070290962.db2.gz IUSQBVMCYLDSAG-PCLIKHOPSA-N -2 0 506.514 5.092 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408937687 1070292071 /nfs/dbraw/zinc/29/20/71/1070292071.db2.gz JLOJVKYFQBRXPD-QGMBQPNBSA-N -2 0 620.239 5.708 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408943899 1070305421 /nfs/dbraw/zinc/30/54/21/1070305421.db2.gz SRDXFCOFVPZPPZ-VXLYETTFSA-N -2 0 677.245 5.006 40 10 KKCBRL O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2I)cc1 ZINC000408988130 1070351578 /nfs/dbraw/zinc/35/15/78/1070351578.db2.gz CSALOPSRSWAOOA-GIJQJNRQSA-N -2 0 728.664 5.493 40 10 KKCBRL COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[n-]n(-c3ccccc3)c2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000409026717 1070410997 /nfs/dbraw/zinc/41/09/97/1070410997.db2.gz WAARUUBRKFZPHA-UHFFFAOYSA-N -2 0 621.093 7.147 40 10 KKCBRL O=C([O-])c1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Br)cc4)c3-c3ccccc3)C(=O)[N-]C2=S)cc1 ZINC000409187674 1070596245 /nfs/dbraw/zinc/59/62/45/1070596245.db2.gz AOQKORNZYUZMHM-USHMODERSA-N -2 0 648.538 7.103 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000408902375 1070913366 /nfs/dbraw/zinc/91/33/66/1070913366.db2.gz IAFDWCGXPWVZRB-VXLYETTFSA-N -2 0 630.245 5.164 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000408901729 1070917235 /nfs/dbraw/zinc/91/72/35/1070917235.db2.gz BDSCDIVAYSFJBJ-VXLYETTFSA-N -2 0 585.794 5.055 40 10 KKCBRL COc1ccc(-c2[n-]n(-c3ccccc3)c(=O)c2C(C)=Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)cc1 ZINC000103922587 1070935007 /nfs/dbraw/zinc/93/50/07/1070935007.db2.gz LFVCXCMQQNXQPZ-QOMWVZHYSA-N -2 0 557.632 5.238 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408937225 1071203188 /nfs/dbraw/zinc/20/31/88/1071203188.db2.gz IMJBBABTNDDZON-RGVLZGJSSA-N -2 0 555.370 5.336 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408944183 1071287172 /nfs/dbraw/zinc/28/71/72/1071287172.db2.gz TYDSFCLXIJGSFF-VXLYETTFSA-N -2 0 585.794 5.055 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(NN=C5C=CC(=O)C(C(=O)[O-])=C5)c(S(=O)(=O)[O-])c4)cc3)cc2S(=O)(=O)[O-])C=CC1=O ZINC000263610865 1071324719 /nfs/dbraw/zinc/32/47/19/1071324719.db2.gz WOWPNDLGUCDMJC-UHFFFAOYSA-N -4 0 804.728 6.323 40 10 KKCBRL CCOc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[n-]n(-c3ccccc3)c2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000408952339 1071345054 /nfs/dbraw/zinc/34/50/54/1071345054.db2.gz KCDHJLIUHITFML-UHFFFAOYSA-N -2 0 636.730 6.433 40 10 KKCBRL O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Br)c([O-])c(I)c1 ZINC000408950342 1071356274 /nfs/dbraw/zinc/35/62/74/1071356274.db2.gz JHJPHWYUWIZEPJ-DNTJNYDQSA-N -2 0 647.307 5.894 40 10 KKCBRL O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000408947573 1071370283 /nfs/dbraw/zinc/37/02/83/1071370283.db2.gz CMFZDTOFFDAEHD-ZVBGSRNCSA-N -2 0 521.957 5.088 40 10 KKCBRL O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])cc(Br)c1[O-] ZINC000408956760 1071375205 /nfs/dbraw/zinc/37/52/05/1071375205.db2.gz YIEJWJMCCQYLLQ-ZVBGSRNCSA-N -2 0 566.408 5.197 40 10 KKCBRL CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)cc1 ZINC000408985968 1071495478 /nfs/dbraw/zinc/49/54/78/1071495478.db2.gz YYGYJFBWEPRCFK-JAIQZWGSSA-N -2 0 583.822 5.609 40 10 KKCBRL O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Cl)cc4)C3=O)cc2I)cc1 ZINC000408993705 1071563892 /nfs/dbraw/zinc/56/38/92/1071563892.db2.gz FBXBKUPGYXWFIW-GIJQJNRQSA-N -2 0 744.732 5.658 40 10 KKCBRL O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)o2)c1 ZINC000408756456 1071638235 /nfs/dbraw/zinc/63/82/35/1071638235.db2.gz ZMNIWWNYEKEQFK-NTEUORMPSA-N -2 0 521.765 5.436 40 10 KKCBRL O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4Cl)C3=O)o2)c1 ZINC000408760685 1071695778 /nfs/dbraw/zinc/69/57/78/1071695778.db2.gz DBRYXBFLGJKWSY-UKTHLTGXSA-N -2 0 521.765 5.436 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408768874 1071797689 /nfs/dbraw/zinc/79/76/89/1071797689.db2.gz KRWFHJHGQOTRDO-RGVLZGJSSA-N -2 0 599.821 5.445 40 10 KKCBRL Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)c1 ZINC000408781233 1071818850 /nfs/dbraw/zinc/81/88/50/1071818850.db2.gz AVUHKAOOPHUJOD-KEBDBYFISA-N -2 0 628.273 5.772 40 10 KKCBRL Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)c1 ZINC000408788233 1071898897 /nfs/dbraw/zinc/89/88/97/1071898897.db2.gz COWQOJXHTBZHBT-CIAFOILYSA-N -2 0 549.377 5.010 40 10 KKCBRL Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C1=O ZINC000409074676 1072066086 /nfs/dbraw/zinc/06/60/86/1072066086.db2.gz UOGCNLDGLXYWCV-RQZCQDPDSA-N -2 0 648.691 6.117 40 10 KKCBRL Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1C ZINC000409073684 1072072682 /nfs/dbraw/zinc/07/26/82/1072072682.db2.gz RCJNPJUGFUGQHD-SRZZPIQSSA-N -2 0 539.371 5.554 40 10 KKCBRL O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000409073728 1072073395 /nfs/dbraw/zinc/07/33/95/1072073395.db2.gz XEJAGPOHRUXYDF-VCHYOVAHSA-N -2 0 590.213 5.700 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000409070394 1072096048 /nfs/dbraw/zinc/09/60/48/1072096048.db2.gz ZCXOZOQBDNWURV-VXLYETTFSA-N -2 0 545.762 5.590 40 10 KKCBRL Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)C1=O ZINC000409069283 1072103629 /nfs/dbraw/zinc/10/36/29/1072103629.db2.gz WWZWHJLPLFAPFO-WOJGMQOQSA-N -2 0 525.344 5.245 40 10 KKCBRL Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)cc1Cl ZINC000409331358 1072369573 /nfs/dbraw/zinc/36/95/73/1072369573.db2.gz BQZFTHJRAAMFHP-GRSHGNNSSA-N -2 0 616.795 5.197 40 10 KKCBRL Cc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000409368678 1072664293 /nfs/dbraw/zinc/66/42/93/1072664293.db2.gz HMTDJZRQNILEKT-UHFFFAOYSA-N -2 0 650.739 8.658 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409378813 1072673023 /nfs/dbraw/zinc/67/30/23/1072673023.db2.gz RYKGRDMAVJJVLM-LPYMAVHISA-N -2 0 565.047 5.410 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409384258 1072699787 /nfs/dbraw/zinc/69/97/87/1072699787.db2.gz CAORKCDAWLRWIL-LPYMAVHISA-N -2 0 565.047 5.410 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409381624 1072710784 /nfs/dbraw/zinc/71/07/84/1072710784.db2.gz IESMTDGDMQQASN-LPYMAVHISA-N -2 0 656.498 5.361 40 10 KKCBRL C[C@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)ccc21 ZINC000409192452 1072825453 /nfs/dbraw/zinc/82/54/53/1072825453.db2.gz XNWWNVCKXGFWLS-IIDYXAJLSA-N -2 0 537.616 5.421 40 10 KKCBRL CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C2=O)cc1OCC ZINC000409191113 1072865401 /nfs/dbraw/zinc/86/54/01/1072865401.db2.gz SMHOBWNNMSOIJA-YDZHTSKRSA-N -2 0 623.058 5.475 40 10 KKCBRL O=S(=O)([N-]c1nc(-c2ccccc2)cs1)c1ccc2oc3ccc(S(=O)(=O)[N-]c4nc(-c5ccccc5)cs4)cc3c2c1 ZINC000409222957 1072990726 /nfs/dbraw/zinc/99/07/26/1072990726.db2.gz FSMFHGUWLMHBGI-UHFFFAOYSA-N -2 0 644.781 7.435 40 10 KKCBRL Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000409229000 1073022746 /nfs/dbraw/zinc/02/27/46/1073022746.db2.gz IHUPZUWEWBMLKL-VCHYOVAHSA-N -2 0 512.349 5.074 40 10 KKCBRL O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)c1 ZINC000409244262 1073089517 /nfs/dbraw/zinc/08/95/17/1073089517.db2.gz AHOUGDNBDPRFSS-MHWRWJLKSA-N -2 0 520.872 5.148 40 10 KKCBRL O=C1C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccc(C=Cc2nc3ccccc3[nH]2)cc1 ZINC000100367546 193903968 /nfs/dbraw/zinc/90/39/68/193903968.db2.gz BNPGXKUMUMCMHO-VYBZGWBXSA-N -2 0 550.574 5.501 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(N)cc2)ccc1N=Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccc3cc(S(=O)(=O)[O-])ccc3c1)C2=O ZINC000004523174 552462863 /nfs/dbraw/zinc/46/28/63/552462863.db2.gz SUCVNJJGJQUCBI-HVMBLDELSA-N -2 0 710.750 8.166 40 10 KKCBRL Cc1ccc(N=Nc2ccc(N=Nc3c(O)c4ccc(Nc5ccccc5)cc4cc3S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])ccc23)cc1 ZINC000004523173 552462880 /nfs/dbraw/zinc/46/28/80/552462880.db2.gz XUTMNRPZAMMJOA-JKWOPUAESA-N -2 0 667.725 9.075 40 10 KKCBRL O=C1C=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000004726979 552473047 /nfs/dbraw/zinc/47/30/47/552473047.db2.gz RIDBENMURUEPGK-QSZPNPOGSA-N -2 0 512.525 5.870 40 10 KKCBRL Cc1cc(N)ccc1/N=N/c1ccc(/N=N/c2ccc3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c3c2)c(C)c1 ZINC000004822049 552487821 /nfs/dbraw/zinc/48/78/21/552487821.db2.gz QZLVDWCKLZRIRS-TUUFZWAFSA-N -2 0 539.595 6.363 40 10 KKCBRL Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccccc1)C(S(=O)(=O)[O-])=C2 ZINC000006137679 552542697 /nfs/dbraw/zinc/54/26/97/552542697.db2.gz HKJKONMZMPUGHJ-KSAYQIDKSA-N -2 0 572.537 5.360 40 10 KKCBRL O=C1C=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccc(Sc2ccc(NN=C3C(=O)C=Cc4cc(S(=O)(=O)[O-])ccc43)cc2)cc1 ZINC000082191183 553676156 /nfs/dbraw/zinc/67/61/56/553676156.db2.gz WFRSJMGBYITKEB-LBYUQGKWSA-N -2 0 686.749 8.880 40 10 KKCBRL O=C1C=Cc2ccccc2C1=NNc1ccc(C=Cc2ccc(NN=C3C(=O)C=Cc4ccccc43)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1 ZINC000095100245 553698247 /nfs/dbraw/zinc/69/82/47/553698247.db2.gz ITHIYCYVWVTJNE-MYDSBXAYSA-N -2 0 680.720 8.899 40 10 KKCBRL Nc1ccc(N=Nc2ccc(NN=C3C(=O)C=Cc4cc(S(=O)(=O)[O-])ccc43)c3ccccc23)c2cc(S(=O)(=O)[O-])ccc12 ZINC000095101020 553699902 /nfs/dbraw/zinc/69/99/02/553699902.db2.gz DKDAFDXCDWQILN-VPHDGDOJSA-N -2 0 627.660 7.758 40 10 KKCBRL Cc1cc(-c2ccc(NN=C3C(=O)c4c(N)cc(S(=O)(=O)[O-])cc4C=C3S(=O)(=O)[O-])c(C)c2)ccc1NN=C1C=Cc2c(S(=O)(=O)[O-])ccc(N)c2C1=O ZINC000095548773 553703547 /nfs/dbraw/zinc/70/35/47/553703547.db2.gz AICLBRRCLVJTST-HVMBLDELSA-N -3 0 792.830 7.423 40 10 KKCBRL Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000096476767 553754763 /nfs/dbraw/zinc/75/47/63/553754763.db2.gz GRULHIJSYZFBDK-HZHRSRAPSA-N -2 0 501.608 5.761 40 10 KKCBRL O=C1C=CC(=NNc2ccc(S(=O)(=O)[O-])cc2)C(N=NC2=CC(=O)C=CC2=NNc2ccc(S(=O)(=O)[O-])cc2)=C1 ZINC000100367783 554353844 /nfs/dbraw/zinc/35/38/44/554353844.db2.gz UFDBSDOISIRFAX-DJZLEYEBSA-N -2 0 582.576 6.837 40 10 KKCBRL CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000059135280 554381259 /nfs/dbraw/zinc/38/12/59/554381259.db2.gz SZUIBWKNBYQIKC-FYJGNVAPSA-N -2 0 504.470 5.008 40 10 KKCBRL Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000059198173 554384370 /nfs/dbraw/zinc/38/43/70/554384370.db2.gz VODOPTMYCMVYMI-UDWIEESQSA-N -2 0 508.328 5.062 40 10 KKCBRL Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C(C)C)c(S(=O)(=O)c2ccc(Cl)cc2)c1[O-] ZINC000101181659 554667343 /nfs/dbraw/zinc/66/73/43/554667343.db2.gz NSECWRGGTSZSFB-UHFFFAOYSA-N -2 0 525.004 5.019 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000103844620 571362916 /nfs/dbraw/zinc/36/29/16/571362916.db2.gz DSPKFBBUAPPMPN-WKULSOCRSA-N -2 0 563.654 5.927 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4F)C3=O)cc2Br)cc1 ZINC000103851705 571365157 /nfs/dbraw/zinc/36/51/57/571365157.db2.gz JEWRWAVIZGAOGA-CXUHLZMHSA-N -2 0 589.826 5.350 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000103870204 571368244 /nfs/dbraw/zinc/36/82/44/571368244.db2.gz LIUJCMDNYYUBOX-CXUHLZMHSA-N -2 0 532.767 5.419 40 10 KKCBRL COc1ccc(-n2[n-]c(-c3ccccc3)c(C(C)=Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)nn4)cc3)c2=O)cc1 ZINC000103921246 571369769 /nfs/dbraw/zinc/36/97/69/571369769.db2.gz AUADDWWRPHKFBH-ITYLOYPMSA-N -2 0 575.050 5.076 40 10 KKCBRL Cc1cc(C)c(N=NC2=CC(=[NH+][N-]c3c(C)cc(C)cc3S(=O)(=O)[O-])c3ccccc3C2=O)c(S(=O)(=O)[O-])c1 ZINC000104045399 571371742 /nfs/dbraw/zinc/37/17/42/571371742.db2.gz FKLXKNMPDFTFPS-JOKXDOCYSA-N -2 0 568.633 7.103 40 10 KKCBRL Cc1cc(C)c(N=Nc2cc(C)c(N)c(N=Nc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)c2N)c(S(=O)(=O)[O-])c1 ZINC000104050505 571371786 /nfs/dbraw/zinc/37/17/86/571371786.db2.gz ABHWAZARRFMXPQ-FMZPSMOSSA-N -2 0 602.633 7.673 40 10 KKCBRL Cc1cc(S(=O)(=O)[O-])ccc1N=Nc1ccc(NN=C2C=C(S(=O)(=O)[O-])c3ccccc3C2=O)c(C)c1 ZINC000104177467 571376024 /nfs/dbraw/zinc/37/60/24/571376024.db2.gz YECHSGCFTMLMBX-LYJPHZJBSA-N -2 0 540.579 6.486 40 10 KKCBRL O=S(=O)([O-])c1ccccc1N=Nc1ccc(N=Nc2c(O)ccc3ccccc32)c(S(=O)(=O)[O-])c1 ZINC000104178376 571376032 /nfs/dbraw/zinc/37/60/32/571376032.db2.gz RYUPVRNBWXCXBA-RUFRKCMOSA-N -2 0 512.525 5.870 40 10 KKCBRL Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc(-c3ccc(NN=C4C=CC(=O)C=C4S(=O)(=O)[O-])cc3)cc1)c2O ZINC000104221484 571377097 /nfs/dbraw/zinc/37/70/97/571377097.db2.gz LBGIGKKBCWDMBD-UOALMSBLSA-N -2 0 619.637 6.824 40 10 KKCBRL O=C(Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc3c(O)cc(S(=O)(=O)[O-])cc3c1)c2O)c1ccccc1 ZINC000104367230 571379596 /nfs/dbraw/zinc/37/95/96/571379596.db2.gz PMEOFEZYPUQMMU-FLWNBWAVSA-N -2 0 593.595 5.565 40 10 KKCBRL Cc1ccc(N=Nc2c(N)c3c(cc2S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N=Nc2ccc([N+](=O)[O-])cc2)c3O)cc1 ZINC000104367082 571379631 /nfs/dbraw/zinc/37/96/31/571379631.db2.gz PHLREJXSYVJPII-MPCWFZQZSA-N -2 0 586.564 5.668 40 10 KKCBRL O=C1C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000104381576 571379829 /nfs/dbraw/zinc/37/98/29/571379829.db2.gz OGDZEWOOSQLJRN-HXEHWPEMSA-N -3 0 592.589 5.116 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(C(=O)[O-])cc2)c1N ZINC000104389144 571380005 /nfs/dbraw/zinc/38/00/05/571380005.db2.gz JFQFXEDASJBRFE-CJLTYADSSA-N -2 0 614.622 9.175 40 10 KKCBRL CC(=O)Nc1ccc(NN=C2C(=O)c3ccc(NC(=O)Nc4ccc5c(c4)C=C(S(=O)(=O)[O-])C(=NNc4ccccc4)C5=O)cc3C=C2S(=O)(=O)[O-])cc1 ZINC000150347502 571460875 /nfs/dbraw/zinc/46/08/75/571460875.db2.gz ICIJDHUPWYQXGB-FSVNFQGMSA-N -2 0 769.774 8.331 40 10 KKCBRL O=S(=O)([O-])c1cccc(/N=N\c2ccc(/N=N\c3ccc(Nc4ccccc4)c4c3cccc4S(=O)(=O)[O-])c3ccccc23)c1 ZINC000150365152 571464521 /nfs/dbraw/zinc/46/45/21/571464521.db2.gz DJRZPZBRKRAGBD-TWQDDVAESA-N -2 0 637.699 9.061 40 10 KKCBRL Cc1ccc(N=Nc2ccc(N=Nc3c(O)c4ccc(Nc5ccccc5)cc4cc3S(=O)(=O)[O-])c3ccc(S(=O)(=O)[O-])cc23)cc1 ZINC000150366748 571464849 /nfs/dbraw/zinc/46/48/49/571464849.db2.gz HUSNTUZPAOLOFK-GRNCQUCOSA-N -2 0 667.725 9.075 40 10 KKCBRL Cc1ccc(N=Nc2ccc(N=Nc3c(O)c4ccc(Nc5ccccc5)cc4cc3S(=O)(=O)[O-])c3ccc(S(=O)(=O)[O-])cc23)cc1 ZINC000150366752 571464869 /nfs/dbraw/zinc/46/48/69/571464869.db2.gz HUSNTUZPAOLOFK-RLUKNFBTSA-N -2 0 667.725 9.075 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2cc(C(=O)[O-])ccc2Cl)c1N ZINC000150366704 571464892 /nfs/dbraw/zinc/46/48/92/571464892.db2.gz QSDHGAQCFZXFPR-GGZLGEBUSA-N -2 0 649.067 9.828 40 10 KKCBRL COc1cc(/N=N\c2ccc(/N=N/c3ccc(/N=N/c4cc(S(=O)(=O)[O-])ccc4S(=O)(=O)[O-])c(C)c3)c(C)c2)c(C)cc1NC(=O)c1ccc(N)cc1 ZINC000150367324 571465055 /nfs/dbraw/zinc/46/50/55/571465055.db2.gz GGCUAAPVPGEVOZ-BBFXTRCTSA-N -2 0 756.823 9.195 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(N)cc2)ccc1N=Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc(S(=O)(=O)[O-])cc1C)c2O ZINC000150367663 571465145 /nfs/dbraw/zinc/46/51/45/571465145.db2.gz WUSSEEVJEVNPAB-UPMDAWFBSA-N -2 0 674.717 7.321 40 10 KKCBRL Cc1ccccc1N=Nc1ccc(N=Nc2c(N)c(N=Nc3ccc(-c4ccc(NN=C5C=CC(=O)C(C(=O)[O-])=C5)cc4)cc3)cc(S(=O)(=O)[O-])c2N)c(C)c1 ZINC000150367967 571465169 /nfs/dbraw/zinc/46/51/69/571465169.db2.gz KFYXJYDEUYFMDW-XTUHKSNNSA-N -2 0 768.816 11.447 40 10 KKCBRL COc1cc(/N=N/c2cc(C)c(/N=N\c3cc(S(=O)(=O)[O-])ccc3S(=O)(=O)[O-])cc2OC)c(C)cc1/N=N/c1ccc(NC(=O)c2ccc(N)cc2)cc1C ZINC000150367957 571465243 /nfs/dbraw/zinc/46/52/43/571465243.db2.gz FIUUHSFSIWXQLE-WUFSKCPXSA-N -2 0 786.849 9.203 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C(=O)c5c(N)c(N=Nc6cc(Cl)ccc6Cl)c(S(=O)(=O)[O-])cc5C=C4S(=O)(=O)[O-])cc3)cc2)c(N)cc1N ZINC000150368158 571465347 /nfs/dbraw/zinc/46/53/47/571465347.db2.gz FIXQRTWLTDSZRN-XCYDTPJQSA-N -2 0 820.697 10.314 40 10 KKCBRL O=C([O-])c1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(/N=N/c5ccccc5)cc3)C4=O)cc2)cc1C(=O)[O-] ZINC000150414936 571485318 /nfs/dbraw/zinc/48/53/18/571485318.db2.gz GTVREVNOAKSABC-HEFFKOSUSA-N -2 0 626.581 7.344 40 10 KKCBRL O=C([O-])CCCN1C(=O)/C(=C/c2ccccc2OCCOc2ccccc2/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)SC1=S ZINC000150445183 571500139 /nfs/dbraw/zinc/50/01/39/571500139.db2.gz QGAQXBBXXUEBKG-BOYKQRMESA-N -2 0 672.828 5.276 40 10 KKCBRL O=C([O-])CCCCCN1C(=O)/C(=C/c2ccccc2OCCOc2ccccc2/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)SC1=S ZINC000150445180 571500163 /nfs/dbraw/zinc/50/01/63/571500163.db2.gz NUHINLGGRFQQFI-ZDSKVHJSSA-N -2 0 728.936 6.837 40 10 KKCBRL O=C1C=CC(=NNc2ccc(C=Cc3ccc(NN=C4C=CC(=O)c5ccccc54)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)c2ccccc21 ZINC000150468330 571508413 /nfs/dbraw/zinc/50/84/13/571508413.db2.gz YGDXUVZMTOEEOK-DQMNOQEGSA-N -2 0 680.720 8.899 40 10 KKCBRL O=C1C=Cc2ccccc2C1=NNc1ccc(C=Cc2ccc(NN=C3C(=O)C=Cc4ccccc43)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1 ZINC000150468348 571508443 /nfs/dbraw/zinc/50/84/43/571508443.db2.gz ITHIYCYVWVTJNE-DQMNOQEGSA-N -2 0 680.720 8.899 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(N)cc2)ccc1N=Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc(Cl)c(S(=O)(=O)[O-])c1)c2O ZINC000150475552 571510741 /nfs/dbraw/zinc/51/07/41/571510741.db2.gz IVGQIOQQLWMTMG-XVIRNCMOSA-N -2 0 695.135 7.666 40 10 KKCBRL Nc1cccc(C(=O)Nc2ccc3c(c2)C=C(S(=O)(=O)[O-])C(=NNc2ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc2)C3=O)c1 ZINC000150476873 571511095 /nfs/dbraw/zinc/51/10/95/571511095.db2.gz VZJYJZHUIYBXJP-VPHDGDOJSA-N -2 0 646.663 6.704 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(-c3ccc(N=Nc4ccc(NN=C5C=CC(=O)C(C(=O)[O-])=C5)c5cc(S(=O)(=O)[O-])ccc45)cc3)cc2)C=CC1=O ZINC000150478993 571511666 /nfs/dbraw/zinc/51/16/66/571511666.db2.gz AUTINFVSBXCWKB-GGZLGEBUSA-N -3 0 716.688 9.807 40 10 KKCBRL Cc1cc(/N=N/c2ccc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)c3ccc(S(=O)(=O)[O-])cc23)ccc1/N=N/c1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1 ZINC000150482864 571513469 /nfs/dbraw/zinc/51/34/69/571513469.db2.gz GVSVWYKBBAIBAQ-SKTMOEBPSA-N -2 0 814.858 9.836 40 10 KKCBRL O=C(Nc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1)c1ccc(NN=C2C(=O)C(S(=O)(=O)[O-])=Cc3cc(S(=O)(=O)[O-])ccc32)cc1 ZINC000150485112 571515565 /nfs/dbraw/zinc/51/55/65/571515565.db2.gz OFCRITMYKPPMQY-NELHQWCOSA-N -3 0 711.712 6.369 40 10 KKCBRL Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(NN=C3C=CC(=C4C=CC(=O)C=C4)C=C3)c(O)c12 ZINC000150485093 571515622 /nfs/dbraw/zinc/51/56/22/571515622.db2.gz RGYWIKUGSVUCPT-UOALMSBLSA-N -2 0 664.634 6.733 40 10 KKCBRL Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccc([N+](=O)[O-])cc1)C(S(=O)(=O)[O-])=C2 ZINC000150485066 571515631 /nfs/dbraw/zinc/51/56/31/571515631.db2.gz DLXYNWYHZXKBET-KEWZEWDVSA-N -2 0 617.534 5.268 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(CC(=O)[O-])cc2)c1N ZINC000150485175 571515759 /nfs/dbraw/zinc/51/57/59/571515759.db2.gz FTZFOSODKHQRNT-KXXMNHFISA-N -2 0 628.649 9.104 40 10 KKCBRL Cc1cc(N=Nc2ccc(Sc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc2)c1N ZINC000150485547 571515926 /nfs/dbraw/zinc/51/59/26/571515926.db2.gz JUBYYWGZHFFWRG-RIVRBIIFSA-N -2 0 786.856 11.623 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(N=Nc4c(N)c5c(cc4S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C(=NNc4ccccc4)C5=O)cc3)cc2)c(N)cc1N ZINC000150488794 571516787 /nfs/dbraw/zinc/51/67/87/571516787.db2.gz BKBDZNUWZUWXOC-DGMOSHDYSA-N -2 0 751.807 9.007 40 10 KKCBRL Nc1ccc(N=Nc2ccc3c(c2)C(=O)C(=NNc2ccc(N=Nc4ccc(N)cc4N)c(S(=O)(=O)[O-])c2)C(S(=O)(=O)[O-])=C3)c(N)c1 ZINC000150578862 571521688 /nfs/dbraw/zinc/52/16/88/571521688.db2.gz ADRMADAIKSWNOR-GOCYIQQKSA-N -2 0 676.697 6.614 40 10 in-vitro KKCBRL Nc1ccc2c(O)c(N=Nc3ccc(N=Nc4ccc(N=Nc5ccccc5)c5cc(S(=O)(=O)[O-])ccc45)c4cc(S(=O)(=O)[O-])ccc34)c(S(=O)(=O)[O-])cc2c1 ZINC000150629771 571524050 /nfs/dbraw/zinc/52/40/50/571524050.db2.gz LBAISCBMCNRAKF-YZCNSZQXSA-N -3 0 811.836 9.420 40 10 KKCBRL O=C1c2ccc(Nc3ccccc3)cc2C=C(S(=O)(=O)[O-])C1=NNc1ccc(-c2ccc(NN=C3C(=O)c4ccc(S(=O)(=O)[O-])cc4C=C3S(=O)(=O)[O-])cc2)cc1 ZINC000150629651 571524055 /nfs/dbraw/zinc/52/40/55/571524055.db2.gz XKXJRPAWMFZKDW-IZRQRQPJSA-N -3 0 825.859 9.386 40 10 KKCBRL CC(=O)C(=NNc1ccc(-c2ccc(NN=C3C(=O)C=Cc4cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c43)cc2C)c(C)c1)C(=O)Nc1ccccc1 ZINC000150634593 571524343 /nfs/dbraw/zinc/52/43/43/571524343.db2.gz ULDQAJBXYMETCK-OBALBTNYSA-N -2 0 715.766 8.250 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4F)C3=O)cc2I)cc1 ZINC000164395544 571546994 /nfs/dbraw/zinc/54/69/94/571546994.db2.gz OZGUIHBRAQVLNW-CXUHLZMHSA-N -2 0 681.277 5.301 40 10 KKCBRL O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Br)cc4)C3=O)cc2I)cc1 ZINC000164480689 571548869 /nfs/dbraw/zinc/54/88/69/571548869.db2.gz FRCMKANNDPLQPJ-GIJQJNRQSA-N -2 0 789.183 5.767 40 10 KKCBRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(F)cc4Cl)C3=O)o2)c1 ZINC000215128685 571583288 /nfs/dbraw/zinc/58/32/88/571583288.db2.gz HRIAVHORBFBZJM-DJKKODMXSA-N -2 0 501.875 5.372 40 10 KKCBRL Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccccc1)C(S(=O)(=O)[O-])=C2 ZINC000263597989 572128186 /nfs/dbraw/zinc/12/81/86/572128186.db2.gz HKJKONMZMPUGHJ-UHFFFAOYSA-N -2 0 572.537 5.360 40 10 KKCBRL O=C1C=CC(=NNc2ccc(C=Cc3ccc(NN=C4C=CC(=O)C=C4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)C=C1 ZINC000263598112 572128228 /nfs/dbraw/zinc/12/82/28/572128228.db2.gz HNJRBCJUHORNHV-CJEIWIIRSA-N -2 0 580.600 6.592 40 10 KKCBRL Cc1c(NN=c2c(=O)c3c(=O)c(=NNc4c(C)n(C)n(-c5ccccc5)c4=O)c(S(=O)(=O)[O-])cc=3cc2S(=O)(=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000263608266 572130193 /nfs/dbraw/zinc/13/01/93/572130193.db2.gz SZVOKPKIXYMQHL-UHFFFAOYSA-N -2 0 748.756 5.171 40 10 KKCBRL Cc1cc(NN=C2C=C(S(=O)(=O)[O-])c3ccccc3C2=O)ccc1-c1ccc(NN=C2C=C(S(=O)(=O)[O-])c3ccccc3C2=O)cc1C ZINC000263615912 572130851 /nfs/dbraw/zinc/13/08/51/572130851.db2.gz FXIYINWSKJVOBO-ATXIYDNESA-N -2 0 682.736 9.012 40 10 KKCBRL Nc1cc(N)c(N=Nc2cccc(N=Nc3cc(N=Nc4ccc(S(=O)(=O)[O-])cc4)c(N)cc3N)c2)cc1N=Nc1ccc(S(=O)(=O)[O-])cc1 ZINC000299888739 572142182 /nfs/dbraw/zinc/14/21/82/572142182.db2.gz VQTOPLCPNHCQCO-UHFFFAOYSA-N -2 0 714.750 8.170 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408944774 1070298027 /nfs/dbraw/zinc/29/80/27/1070298027.db2.gz VBXJZDWAHCFRCP-WSDLNYQXSA-N -2 0 548.979 5.299 40 10 KKCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3c(OCc4ccc(Cl)cc4Cl)ccc4ccccc43)C2=O)cc1 ZINC000408943986 1070296254 /nfs/dbraw/zinc/29/62/54/1070296254.db2.gz SZFNDOUADRPKSS-OEAKJJBVSA-N -2 0 561.377 6.090 40 10 KKCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OCc3cccc4ccccc43)C2=O)cc1 ZINC000408943372 1070304609 /nfs/dbraw/zinc/30/46/09/1070304609.db2.gz SCKIQLLDBLMLQO-BUVRLJJBSA-N -2 0 571.383 5.546 40 10 KKCBRL Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1cccc(OC(=O)c2ccccc2F)c1 ZINC000408947235 1070310890 /nfs/dbraw/zinc/31/08/90/1070310890.db2.gz AWZLQBGGJYZORR-UHFFFAOYSA-N -2 0 574.612 6.625 40 10 KKCBRL O=C([O-])c1ccc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 ZINC000408947874 1070312674 /nfs/dbraw/zinc/31/26/74/1070312674.db2.gz DIWKSECEVIMZLQ-MUFRIFMGSA-N -2 0 576.649 6.098 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409064905 1070481103 /nfs/dbraw/zinc/48/11/03/1070481103.db2.gz IYWONMPCPLRBER-DJKKODMXSA-N -2 0 585.794 5.055 40 10 KKCBRL O=C([O-])c1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000409065880 1070482526 /nfs/dbraw/zinc/48/25/26/1070482526.db2.gz VAPONEJITNXLKY-UDWIEESQSA-N -2 0 555.768 5.046 40 10 KKCBRL CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C2=O)cc1OC ZINC000409129616 1070556643 /nfs/dbraw/zinc/55/66/43/1070556643.db2.gz UXVOIZLEJILKOG-WSDLNYQXSA-N -2 0 653.482 5.194 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000408900739 1070930195 /nfs/dbraw/zinc/93/01/95/1070930195.db2.gz UITZLTSZSKBPER-RGVLZGJSSA-N -2 0 599.821 5.445 40 10 KKCBRL O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2Cl)c1 ZINC000408946795 1071265179 /nfs/dbraw/zinc/26/51/79/1071265179.db2.gz BCHGRJHRNHGXJZ-CCVNUDIWSA-N -2 0 611.094 6.751 40 10 KKCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)c(Cl)c3)C2=O)cc1 ZINC000408943998 1071288183 /nfs/dbraw/zinc/28/81/83/1071288183.db2.gz TWHDWOCUSRIDCU-OEAKJJBVSA-N -2 0 526.932 5.437 40 10 KKCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(Cl)cc3)C2=O)cc1 ZINC000408941234 1071309008 /nfs/dbraw/zinc/30/90/08/1071309008.db2.gz OZGYWBNNWPRIND-UDWIEESQSA-N -2 0 555.768 5.046 40 10 KKCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3c(OCc4ccccc4Cl)ccc4ccccc43)C2=O)cc1 ZINC000408941921 1071304734 /nfs/dbraw/zinc/30/47/34/1071304734.db2.gz QDBGGRGCWLJQHQ-HZHRSRAPSA-N -2 0 526.932 5.437 40 10 KKCBRL Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)cc1Cl ZINC000408985697 1071497635 /nfs/dbraw/zinc/49/76/35/1071497635.db2.gz XTWYPOLPFPICQJ-LSCVHKIXSA-N -2 0 742.691 5.801 40 10 KKCBRL COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000408982056 1071529980 /nfs/dbraw/zinc/52/99/80/1071529980.db2.gz FKKNAIBBQVTEJN-OCKHKDLRSA-N -2 0 599.821 5.363 40 10 KKCBRL O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2I)cc1 ZINC000408994993 1071554641 /nfs/dbraw/zinc/55/46/41/1071554641.db2.gz KIBLFEKHOCHGLN-QGMBQPNBSA-N -2 0 728.664 5.493 40 10 KKCBRL O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)cc2I)cc1 ZINC000409002898 1071639235 /nfs/dbraw/zinc/63/92/35/1071639235.db2.gz XFHKJVZONODGTL-OVCLIPMQSA-N -2 0 763.109 6.146 40 10 KKCBRL O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4Cl)C3=O)o2)c1 ZINC000408753207 1071659163 /nfs/dbraw/zinc/65/91/63/1071659163.db2.gz FENXRTSKHLOVJE-NTEUORMPSA-N -2 0 505.697 5.271 40 10 KKCBRL CCOc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)[N-]C2=S)cc1 ZINC000408997415 1071664895 /nfs/dbraw/zinc/66/48/95/1071664895.db2.gz OKNBHTXJHULMKM-RGVLZGJSSA-N -2 0 754.340 5.403 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000408771045 1071782778 /nfs/dbraw/zinc/78/27/78/1071782778.db2.gz DXMHMOLBUIKAIE-WSDLNYQXSA-N -2 0 593.430 5.408 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000408785001 1071860592 /nfs/dbraw/zinc/86/05/92/1071860592.db2.gz FCLPZEXOPXUJPE-SRZZPIQSSA-N -2 0 579.403 5.018 40 10 KKCBRL O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2)c1 ZINC000408783653 1071868892 /nfs/dbraw/zinc/86/88/92/1071868892.db2.gz PPUDULQSPUHMRS-OKCVXOCRSA-N -2 0 576.649 6.098 40 10 KKCBRL Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000409066137 1072004532 /nfs/dbraw/zinc/00/45/32/1072004532.db2.gz KAZREOBVGHCCJQ-UHFFFAOYSA-N -2 0 577.084 7.499 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4Cl)C3=O)cc2Br)cc1 ZINC000409064471 1072014063 /nfs/dbraw/zinc/01/40/63/1072014063.db2.gz HGJXBVMBSXMKJA-CXUHLZMHSA-N -2 0 634.664 5.809 40 10 KKCBRL O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000409064388 1072016186 /nfs/dbraw/zinc/01/61/86/1072016186.db2.gz CSGXPEMXXKKYJV-RGVLZGJSSA-N -2 0 555.768 5.046 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409074404 1072039931 /nfs/dbraw/zinc/03/99/31/1072039931.db2.gz QWLAAZUQTGNLJC-WOJGMQOQSA-N -2 0 646.821 5.287 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Br)cc1 ZINC000409075026 1072063898 /nfs/dbraw/zinc/06/38/98/1072063898.db2.gz WWIJLJMLDCKXOM-GIJQJNRQSA-N -2 0 645.216 5.063 40 10 KKCBRL O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Br)cc1 ZINC000409074241 1072068230 /nfs/dbraw/zinc/06/82/30/1072068230.db2.gz PMKJZPLSWZWDRK-VXLYETTFSA-N -2 0 555.768 5.046 40 10 KKCBRL O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Br)cc1 ZINC000409071577 1072089000 /nfs/dbraw/zinc/08/90/00/1072089000.db2.gz HIAQGJZCJXWOMU-WGOQTCKBSA-N -2 0 627.447 5.972 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409068037 1072114480 /nfs/dbraw/zinc/11/44/80/1072114480.db2.gz HCSZTWLEFPPHDX-GIJQJNRQSA-N -2 0 634.266 6.098 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409068489 1072111711 /nfs/dbraw/zinc/11/17/11/1072111711.db2.gz ASYQRYHQWHQZRS-JVWAILMASA-N -2 0 627.049 6.261 40 10 KKCBRL Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)C2=O)cc1Cl ZINC000409067477 1072117893 /nfs/dbraw/zinc/11/78/93/1072117893.db2.gz QYPJJJUFBLKABD-VXLYETTFSA-N -2 0 525.344 5.245 40 10 KKCBRL Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(-c4cccc(C(=O)[O-])c4C)o3)SC2=S)c(Cl)c1 ZINC000409144283 1072536611 /nfs/dbraw/zinc/53/66/11/1072536611.db2.gz KNURTPVMRSJVDY-JAIQZWGSSA-N -2 0 512.996 5.461 40 10 KKCBRL CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc(C(=O)[O-])c4)c(Br)c3)C(=O)[N-]C2=S)cc1 ZINC000409387732 1072741664 /nfs/dbraw/zinc/74/16/64/1072741664.db2.gz PVYPBQUGYNSXJU-FYJGNVAPSA-N -2 0 565.445 5.120 40 10 KKCBRL C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc([N+](=O)[O-])c([O-])cc2[O-])C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185731 1072769356 /nfs/dbraw/zinc/76/93/56/1072769356.db2.gz PEMXNIUJMDDTIA-GGVRFBKHSA-N -2 0 624.675 5.399 40 10 KKCBRL Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000409196590 1072829829 /nfs/dbraw/zinc/82/98/29/1072829829.db2.gz WNDRSJITDPZBFQ-ONUIUJJFSA-N -2 0 521.598 5.291 40 10 KKCBRL CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)cc1OCC ZINC000409195129 1072838018 /nfs/dbraw/zinc/83/80/18/1072838018.db2.gz RKWOYYSYMWCCOK-WSDLNYQXSA-N -2 0 716.379 6.338 40 10 KKCBRL CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)C2=O)cc1OCC ZINC000409193763 1072848756 /nfs/dbraw/zinc/84/87/56/1072848756.db2.gz LNDRCLJWUADLFD-OEAKJJBVSA-N -2 0 593.032 5.467 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000409189379 1072877314 /nfs/dbraw/zinc/87/73/14/1072877314.db2.gz KJPLQASNLXIGMT-KOEQRZSOSA-N -2 0 624.744 5.816 40 10 KKCBRL CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409188873 1072879950 /nfs/dbraw/zinc/87/99/50/1072879950.db2.gz BISKCFPAOLYYJT-ZVHZXABRSA-N -2 0 681.536 5.975 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409188643 1072882063 /nfs/dbraw/zinc/88/20/63/1072882063.db2.gz IVZSRWWNGSARAH-JVWAILMASA-N -2 0 586.069 5.856 40 10 KKCBRL COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409187853 1072884789 /nfs/dbraw/zinc/88/47/89/1072884789.db2.gz VBWOXDBCWLCCKJ-MUFRIFMGSA-N -2 0 606.675 6.107 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000409242418 1073097701 /nfs/dbraw/zinc/09/77/01/1073097701.db2.gz UTQCGUZYNMJHRV-DJKKODMXSA-N -2 0 528.417 5.239 40 10 KKCBRL Cc1ccc(S(=O)(=O)[O-])cc1N=Nc1cc(C)c(NN=C2C(=O)C=Cc3ccccc32)cc1S(=O)(=O)[O-] ZINC000004265582 552454556 /nfs/dbraw/zinc/45/45/56/552454556.db2.gz YJFPEQCGBKUNPP-NBHCHVEOSA-N -2 0 540.579 6.486 40 10 KKCBRL O=S(=O)([O-])c1ccc(/N=N/c2ccc(/N=N/c3ccc(/N=N/c4ccc(/N=N/c5ccc(S(=O)(=O)[O-])cc5)cc4)cc3)cc2)cc1 ZINC000004266022 552454915 /nfs/dbraw/zinc/45/49/15/552454915.db2.gz MRGPFQVUSKYXCZ-YAEMVEMXSA-N -2 0 654.690 9.842 40 10 KKCBRL Cc1cc(S(=O)(=O)[O-])ccc1N=Nc1ccc(NN=C2C=C(S(=O)(=O)[O-])c3ccccc3C2=O)c(C)c1 ZINC000004416534 552459584 /nfs/dbraw/zinc/45/95/84/552459584.db2.gz YECHSGCFTMLMBX-PAMTUDGESA-N -2 0 540.579 6.486 40 10 KKCBRL O=C1C=Cc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2C1=NNc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000004758265 552476201 /nfs/dbraw/zinc/47/62/01/552476201.db2.gz MKOJHJCFYCSSJX-QSZPNPOGSA-N -3 0 592.589 5.116 40 10 KKCBRL CC(=O)Nc1cc(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccc(C(=O)Nc3ccc4cc(S(=O)(=O)[O-])ccc4c3)cc1)C(S(=O)(=O)[O-])=C2 ZINC000004804185 552487247 /nfs/dbraw/zinc/48/72/47/552487247.db2.gz AGAYOPKBEBHPJJ-ULIFNZDWSA-N -3 0 714.712 5.065 40 10 KKCBRL O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2ccc([O-])c(O)c2oc2c(O)c(=O)ccc1-2 ZINC000005125268 552494153 /nfs/dbraw/zinc/49/41/53/552494153.db2.gz BCMXMLPZPYKPMA-UHFFFAOYSA-N -2 0 502.089 5.993 40 10 KKCBRL CCCCc1ccc(Nc2ccc(Nc3ccc(CCCC)cc3S(=O)(=O)[O-])c3c2C(=O)c2ccccc2C3=O)c(S(=O)(=O)[O-])c1 ZINC000006830022 552974235 /nfs/dbraw/zinc/97/42/35/552974235.db2.gz NGYPWHPOBQILDJ-UHFFFAOYSA-N -2 0 662.786 7.128 40 10 KKCBRL Nc1ccc2cc(S(=O)(=O)[O-])cc(O)c2c1N=Nc1ccc(-c2ccc(NN=C3C=CC(=O)C(C(=O)[O-])=C3)cc2)cc1 ZINC000068601127 553592358 /nfs/dbraw/zinc/59/23/58/553592358.db2.gz OKRYVJRSHSURIS-FMWAKIAMSA-N -2 0 583.582 7.276 40 10 KKCBRL O=S(=O)([O-])c1cc(O)c2c(c1)cc(S(=O)(=O)[O-])cc2/N=N\c1ccc(Nc2ccccc2)c2c1cccc2S(=O)(=O)[O-] ZINC000072186730 553645749 /nfs/dbraw/zinc/64/57/49/553645749.db2.gz QFVHZQCOUORWEI-ZIADKAODSA-N -3 0 629.650 5.598 40 10 KKCBRL O=C1C=Cc2cccc(S(=O)(=O)[O-])c2C1=NNc1ccc(S(=O)(=O)c2ccc(NN=C3C(=O)C=Cc4cccc(S(=O)(=O)[O-])c43)cc2)cc1 ZINC000082170345 553674123 /nfs/dbraw/zinc/67/41/23/553674123.db2.gz XQDXOBGAFYLUDL-FFROBNHHSA-N -2 0 718.747 7.561 40 10 KKCBRL Nc1ccc2c(O)c(N=Nc3ccc(N=Nc4ccc(N=Nc5ccccc5)c5cc(S(=O)(=O)[O-])ccc45)c4cc(S(=O)(=O)[O-])ccc34)c(S(=O)(=O)[O-])cc2c1 ZINC000095101021 553699845 /nfs/dbraw/zinc/69/98/45/553699845.db2.gz LBAISCBMCNRAKF-PEKBXLOJSA-N -3 0 811.836 9.420 40 10 KKCBRL Cc1ccc2nc(-c3ccc(/N=N/Nc4ccc(-c5nc6ccc(C)cc6s5)cc4S(=O)(=O)[O-])c(S(=O)(=O)[O-])c3)sc2c1 ZINC000095100996 553699860 /nfs/dbraw/zinc/69/98/60/553699860.db2.gz FWSDYNMGYGDJNA-UHFFFAOYSA-N -2 0 651.773 7.461 40 10 KKCBRL O=C(Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc1)C2=O)c1ccccc1 ZINC000095670621 553707048 /nfs/dbraw/zinc/70/70/48/553707048.db2.gz IGXZMQCLUNTWCC-QUVVFHLXSA-N -2 0 631.648 7.122 40 10 KKCBRL CCc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000096585907 553756316 /nfs/dbraw/zinc/75/63/16/553756316.db2.gz FAYZIRFQRGNERG-HMAPJEAMSA-N -2 0 516.575 5.206 40 10 KKCBRL O=S(=O)([O-])c1cc2c(ccc(S(=O)(=O)[O-])c2/N=N/c2cccc(/C=C\c3nc4ccccc4[nH]3)c2)c(S(=O)(=O)[O-])c1 ZINC000051011023 554328637 /nfs/dbraw/zinc/32/86/37/554328637.db2.gz BLIYGIDMNCXDBM-PQSIKIHOSA-N -3 0 614.639 5.042 40 10 KKCBRL O=S(=O)([O-])c1cc2c(ccc(S(=O)(=O)[O-])c2/N=N\c2cccc(/C=C/c3nc4ccccc4[nH]3)c2)c(S(=O)(=O)[O-])c1 ZINC000051011026 554328627 /nfs/dbraw/zinc/32/86/27/554328627.db2.gz BLIYGIDMNCXDBM-ZNBIAPIKSA-N -3 0 614.639 5.042 40 10 KKCBRL Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccccc1)C(S(=O)(=O)[O-])=C2 ZINC000059676549 554423257 /nfs/dbraw/zinc/42/32/57/554423257.db2.gz HKJKONMZMPUGHJ-PGPJJITMSA-N -2 0 572.537 5.360 40 10 KKCBRL O=C1C=CC(=NNc2ccc(C=Cc3ccc(NN=C4C=CC(=O)C(O)=C4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)C=C1O ZINC000101510078 554792232 /nfs/dbraw/zinc/79/22/32/554792232.db2.gz VRBLWSNMXXFIDO-BLTPOFBISA-N -2 0 612.598 6.004 40 10 KKCBRL O=C1C=CC(=NNc2ccc(C=Cc3ccc(NN=C4C=CC(=O)C(O)=C4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)C=C1O ZINC000101510073 554792251 /nfs/dbraw/zinc/79/22/51/554792251.db2.gz VRBLWSNMXXFIDO-OYUDAGAHSA-N -2 0 612.598 6.004 40 10 KKCBRL Cc1[n-]n(C(=O)CC(=O)Nc2ccccc2Cl)c(=O)c1N=Nc1ccc(S(=O)(=O)c2ccc(N=Nc3c(C)[n-]n(C(=O)CC(=O)Nc4ccccc4Cl)c3=O)cc2)cc1 ZINC000150448492 562843412 /nfs/dbraw/zinc/84/34/12/562843412.db2.gz GRDJGKGOFBCOEO-KCOQNEMNSA-N -2 0 857.693 6.278 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000103858759 571366727 /nfs/dbraw/zinc/36/67/27/571366727.db2.gz PPSJYTUYVHHIHX-VXLYETTFSA-N -2 0 585.794 5.055 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000103859264 571367032 /nfs/dbraw/zinc/36/70/32/571367032.db2.gz SQGHBTGNYYERQZ-RGVLZGJSSA-N -2 0 599.821 5.445 40 10 KKCBRL CC(=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1 ZINC000103921230 571369725 /nfs/dbraw/zinc/36/97/25/571369725.db2.gz KYDJWOGFWWKRAG-XHPQRKPJSA-N -2 0 566.668 5.629 40 10 KKCBRL CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1 ZINC000103919190 571369753 /nfs/dbraw/zinc/36/97/53/571369753.db2.gz QYOLDSCFDJPMFN-HAHDFKILSA-N -2 0 568.084 5.429 40 10 KKCBRL Nc1ccc2cc(S(=O)(=O)[O-])cc(O)c2c1N=Nc1ccc(-c2ccc(NN=C3C=CC(=O)C(C(=O)[O-])=C3)cc2)cc1 ZINC000104135484 571374613 /nfs/dbraw/zinc/37/46/13/571374613.db2.gz OKRYVJRSHSURIS-WANSBIPISA-N -3 0 583.582 7.276 40 10 KKCBRL CN(C)c1ccc(/C=C(/C(=O)[O-])c2csc(-c3nc(/C(=C/c4ccc(N(C)C)cc4)C(=O)[O-])cs3)n2)cc1 ZINC000104292239 571378509 /nfs/dbraw/zinc/37/85/09/571378509.db2.gz DFPLOGZSKWHWDQ-VOKWCDJLSA-N -2 0 546.674 5.649 40 10 KKCBRL CN(C)c1ccc(/C=C(\C(=O)[O-])c2csc(-c3nc(/C(=C/c4ccc(N(C)C)cc4)C(=O)[O-])cs3)n2)cc1 ZINC000104292245 571378522 /nfs/dbraw/zinc/37/85/22/571378522.db2.gz DFPLOGZSKWHWDQ-JZTLMNBPSA-N -2 0 546.674 5.649 40 10 KKCBRL O=C1C=CC(=NNc2ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc2)c2c1cccc2S(=O)(=O)[O-] ZINC000104367011 571379664 /nfs/dbraw/zinc/37/96/64/571379664.db2.gz KRSNYIGWUHIMKB-RIIXPHEHSA-N -2 0 512.525 5.870 40 10 KKCBRL COc1cc(N=Nc2ccc(S(=O)(=O)[O-])cc2)ccc1NN=C1C=Cc2c(cccc2S(=O)(=O)[O-])C1=O ZINC000104389062 571379888 /nfs/dbraw/zinc/37/98/88/571379888.db2.gz KSZLXLWAIZSTTP-DYORGOFNSA-N -2 0 542.551 5.878 40 10 KKCBRL CCOc1ccc(/N=N/c2ccc(Sc3ccc(/N=N/c4ccc(OCC)cc4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)cc1 ZINC000150353340 571462701 /nfs/dbraw/zinc/46/27/01/571462701.db2.gz XBPAOWDSWITNCH-JWTBXLROSA-N -2 0 642.737 7.959 40 10 KKCBRL O=S(=O)([O-])c1cccc(/N=N\c2ccc(/N=N/c3ccc(Nc4ccccc4)c4c3cccc4S(=O)(=O)[O-])c3ccccc23)c1 ZINC000150365154 571464508 /nfs/dbraw/zinc/46/45/08/571464508.db2.gz DJRZPZBRKRAGBD-UPMDAWFBSA-N -2 0 637.699 9.061 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(-c3ccc(NN=c4ccc(=O)c(=NNc5ccc(S(=O)(=O)[O-])cc5)c4=O)cc3)cc2)C=CC1=O ZINC000150366636 571464746 /nfs/dbraw/zinc/46/47/46/571464746.db2.gz MFKIBHRWIGTPSD-INPUSSFTSA-N -2 0 638.618 8.662 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2cc(C(=O)[O-])ccc2Cl)c1N ZINC000150366707 571464854 /nfs/dbraw/zinc/46/48/54/571464854.db2.gz QSDHGAQCFZXFPR-SFIXCQEASA-N -2 0 649.067 9.828 40 10 KKCBRL Cc1cc(-c2ccc(NN=C3C(=O)c4c(cccc4S(=O)(=O)[O-])C=C3S(=O)(=O)[O-])c(C)c2)ccc1NN=C1C=Cc2c(S(=O)(=O)[O-])ccc(N)c2C1=O ZINC000150366665 571464886 /nfs/dbraw/zinc/46/48/86/571464886.db2.gz YVWGWDRWIHADMC-WVCCOWEBSA-N -3 0 777.815 7.841 40 10 KKCBRL COc1cc(/N=N\c2ccc(/N=N/c3ccc(/N=N\c4cc(S(=O)(=O)[O-])ccc4S(=O)(=O)[O-])c(C)c3)c(C)c2)c(C)cc1NC(=O)c1ccc(N)cc1 ZINC000150367322 571465057 /nfs/dbraw/zinc/46/50/57/571465057.db2.gz GGCUAAPVPGEVOZ-OHTWRYTRSA-N -2 0 756.823 9.195 40 10 KKCBRL COc1cc(/N=N/c2cc(NC(C)=O)c(/N=N\c3ccc(S(=O)(=O)[O-])cc3)cc2S(=O)(=O)[O-])c(C)cc1/N=N/c1ccc(NC(=O)c2ccc(N)cc2)cc1C ZINC000150367692 571465097 /nfs/dbraw/zinc/46/50/97/571465097.db2.gz YWRDVZCIZVCEGM-ZBZMEVMPSA-N -2 0 799.848 8.845 40 10 KKCBRL COc1cc(/N=N/c2ccc(S(=O)(=O)[O-])cc2)c(C)cc1/N=N\c1cc(S(=O)(=O)[O-])c(NC(=O)c2ccc(N)cc2)cc1NC(C)=O ZINC000150367650 571465118 /nfs/dbraw/zinc/46/51/18/571465118.db2.gz JKNWPYBYAWGWJD-HLMXYHKXSA-N -2 0 681.709 6.121 40 10 KKCBRL COc1cc(/N=N/c2ccc(S(=O)(=O)[O-])cc2)c(C)cc1/N=N/c1cc(S(=O)(=O)[O-])c(NC(=O)c2ccc(N)cc2)cc1NC(C)=O ZINC000150367655 571465149 /nfs/dbraw/zinc/46/51/49/571465149.db2.gz JKNWPYBYAWGWJD-WXBFSDFVSA-N -2 0 681.709 6.121 40 10 KKCBRL COc1cc(/N=N/c2cc(NC(C)=O)c(/N=N\c3ccc(S(=O)(=O)[O-])cc3)cc2S(=O)(=O)[O-])c(C)cc1/N=N\c1ccc(NC(=O)c2ccc(N)cc2)cc1C ZINC000150367691 571465150 /nfs/dbraw/zinc/46/51/50/571465150.db2.gz YWRDVZCIZVCEGM-JFFYVDNDSA-N -2 0 799.848 8.845 40 10 KKCBRL Cc1cc(N=Nc2ccc(C(N)=O)cc2)c(N)c(N=Nc2ccc(NN=C3C=C(C(=O)[O-])C(=O)C(S(=O)(=O)[O-])=C3)c(C)c2)c1N ZINC000150367924 571465210 /nfs/dbraw/zinc/46/52/10/571465210.db2.gz POMOQOVZVRKHAM-CPEQUGRQSA-N -2 0 631.631 6.463 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(-c3ccc(S(=O)(=O)[O-])cc3)cc2)c1N ZINC000150367960 571465229 /nfs/dbraw/zinc/46/52/29/571465229.db2.gz POAYBMRAYZGIAQ-VUSIKODGSA-N -2 0 726.775 10.390 40 10 KKCBRL Cc1cc(N=Nc2ccc(C(N)=O)cc2)c(N)c(N=Nc2ccc(NN=C3C=C(C(=O)[O-])C(=O)C(S(=O)(=O)[O-])=C3)c(C)c2)c1N ZINC000150367920 571465239 /nfs/dbraw/zinc/46/52/39/571465239.db2.gz POMOQOVZVRKHAM-MBDDAHTHSA-N -2 0 631.631 6.463 40 10 KKCBRL COc1cc(/N=N\c2ccc(/N=N/c3cc(S(=O)(=O)[O-])ccc3S(=O)(=O)[O-])c(C)c2)c(C)cc1/N=N\c1cc(OC)c(NC(=O)c2ccc(N)cc2)cc1C ZINC000150368196 571465277 /nfs/dbraw/zinc/46/52/77/571465277.db2.gz PNYGUBLKHQGGBV-XQECGSOQSA-N -2 0 786.849 9.203 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(N)cc2)ccc1/N=N/c1ccc(/N=N/c2ccc3c(O)cc(S(=O)(=O)[O-])cc3c2)c2cc(S(=O)(=O)[O-])ccc12 ZINC000150368127 571465304 /nfs/dbraw/zinc/46/53/04/571465304.db2.gz MGEUYNUIICICAX-HVMBLDELSA-N -2 0 710.750 8.166 40 10 KKCBRL Nc1c(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)cc(S(=O)(=O)[O-])c(N)c1N=Nc1ccc(-c2ccccc2)cc1 ZINC000150368204 571465325 /nfs/dbraw/zinc/46/53/25/571465325.db2.gz AHIZLDBCPUKJPV-JFFYVDNDSA-N -2 0 712.748 10.082 40 10 KKCBRL CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)cc1 ZINC000150391833 571474057 /nfs/dbraw/zinc/47/40/57/571474057.db2.gz MTKXNGKQRVBPLB-JAIQZWGSSA-N -2 0 628.273 5.718 40 10 KKCBRL Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=Nc1ccc(-c2ccc(NN=C3C=CC(=O)C(C(=O)[O-])=C3)c(C)c2)cc1C ZINC000150397226 571476765 /nfs/dbraw/zinc/47/67/65/571476765.db2.gz FLGGPQAQNMECGO-VPHDGDOJSA-N -3 0 626.651 7.651 40 10 KKCBRL O=C([O-])C1=Cc2ccccc2C(=NNc2ccc(C=Cc3ccc(NN=C4C(=O)C(C(=O)[O-])=Cc5ccccc54)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)C1=O ZINC000150468384 571508414 /nfs/dbraw/zinc/50/84/14/571508414.db2.gz BDXUBDHCCBUMEP-SXUZXVSGSA-N -4 0 768.738 8.295 40 10 KKCBRL O=C([O-])C1=Cc2ccccc2C(=NNc2ccc(C=Cc3ccc(NN=C4C(=O)C(C(=O)[O-])=Cc5ccccc54)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)C1=O ZINC000150468376 571508426 /nfs/dbraw/zinc/50/84/26/571508426.db2.gz BDXUBDHCCBUMEP-SDUSVWHPSA-N -4 0 768.738 8.295 40 10 KKCBRL COc1cc(-c2ccc(NN=C3C=C(S(=O)(=O)[O-])c4ccccc4C3=O)c(OC)c2)ccc1N=Nc1c(O)c2ccc(N)cc2cc1S(=O)(=O)[O-] ZINC000150476954 571511015 /nfs/dbraw/zinc/51/10/15/571511015.db2.gz DAUWYVUKZMSMCP-VAXAQTQESA-N -2 0 729.749 7.995 40 10 KKCBRL COc1cc(-c2ccc(NN=C3c4ccccc4C=CC3=O)c(OC)c2)ccc1NN=C1C=Cc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c2C1=O ZINC000150476939 571511054 /nfs/dbraw/zinc/51/10/54/571511054.db2.gz NPKFSFQEYLFRPM-PKJKGCPLSA-N -2 0 729.749 7.995 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(-c3ccc(NN=c4ccc(=O)c(=NNc5ccc(S(=O)(=O)[O-])c6ccccc56)c4=O)cc3)cc2)C=CC1=O ZINC000150476986 571511106 /nfs/dbraw/zinc/51/11/06/571511106.db2.gz NMPIFMYZEIQYPQ-GRKJPLEWSA-N -2 0 688.678 9.815 40 10 KKCBRL Cc1cc(-c2ccc(NN=C3C(=O)c4c(N)cc(S(=O)(=O)[O-])cc4C=C3S(=O)(=O)[O-])c(C)c2)ccc1NN=C1C=Cc2c(S(=O)(=O)[O-])ccc(N)c2C1=O ZINC000150478974 571511512 /nfs/dbraw/zinc/51/15/12/571511512.db2.gz AICLBRRCLVJTST-NVXIXPEWSA-N -3 0 792.830 7.423 40 10 KKCBRL O=C(Nc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1)c1ccc(NN=C2C(=O)C(S(=O)(=O)[O-])=Cc3cc(S(=O)(=O)[O-])ccc32)cc1 ZINC000150485118 571515555 /nfs/dbraw/zinc/51/55/55/571515555.db2.gz OFCRITMYKPPMQY-DRCJXRCRSA-N -3 0 711.712 6.369 40 10 KKCBRL Cc1ccccc1N=Nc1ccc(NN=C2C(=O)c3c(N)c(N=Nc4ccc([N+](=O)[O-])cc4)c(S(=O)(=O)[O-])cc3C=C2S(=O)(=O)[O-])c(C)c1 ZINC000150485390 571515721 /nfs/dbraw/zinc/51/57/21/571515721.db2.gz CLJQREPWTVFCEV-MYDUDFFJSA-N -2 0 704.703 8.392 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2cc(Cl)ccc2S(=O)(=O)[O-])c1N ZINC000150485131 571515797 /nfs/dbraw/zinc/51/57/97/571515797.db2.gz VWTMKDWOLMLALS-HYGRMQNNSA-N -2 0 685.122 9.377 40 10 KKCBRL Cc1cc(N=Nc2ccc(Sc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc2)c1N ZINC000150485544 571515845 /nfs/dbraw/zinc/51/58/45/571515845.db2.gz JUBYYWGZHFFWRG-RTGJHPRJSA-N -2 0 786.856 11.623 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(OCC(=O)[O-])cc2)c1N ZINC000150485466 571515893 /nfs/dbraw/zinc/51/58/93/571515893.db2.gz KYJROOFWCNDAMI-KXXMNHFISA-N -2 0 644.648 8.940 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(OCC(=O)[O-])cc2)c1N ZINC000150485484 571515898 /nfs/dbraw/zinc/51/58/98/571515898.db2.gz KYJROOFWCNDAMI-ZFEHFAFLSA-N -2 0 644.648 8.940 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(OCC(=O)[O-])cc2)c1N ZINC000150485479 571515902 /nfs/dbraw/zinc/51/59/02/571515902.db2.gz KYJROOFWCNDAMI-PNLJEYLRSA-N -2 0 644.648 8.940 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(Nc3ccccc3)c(S(=O)(=O)[O-])c2)c1N ZINC000150485558 571515941 /nfs/dbraw/zinc/51/59/41/571515941.db2.gz GZJRODUHRHKKFX-MTZYOIOMSA-N -2 0 741.790 10.467 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)[O-])cc3)cc2)c1N ZINC000150485584 571515947 /nfs/dbraw/zinc/51/59/47/571515947.db2.gz ZFFXGMZEQZCKFS-SWDCVYPXSA-N -2 0 769.800 9.975 40 10 KKCBRL O=C1C=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccc(Sc2ccc(NN=C3C(=O)C=Cc4cc(S(=O)(=O)[O-])ccc43)cc2)cc1 ZINC000150488787 571516775 /nfs/dbraw/zinc/51/67/75/571516775.db2.gz WFRSJMGBYITKEB-FFROBNHHSA-N -2 0 686.749 8.880 40 10 KKCBRL O=C1C=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccc(Sc2ccc(NN=C3C(=O)C=Cc4cc(S(=O)(=O)[O-])ccc43)cc2)cc1 ZINC000150488786 571516929 /nfs/dbraw/zinc/51/69/29/571516929.db2.gz WFRSJMGBYITKEB-SGRXOXICSA-N -2 0 686.749 8.880 40 10 KKCBRL Cc1cc(S(=O)(=O)[O-])c(N)c(/N=N/c2ccc(-c3ccc(/N=N/c4c(N)c(C)cc(S(=O)(=O)[O-])c4N)c(C)c3)cc2C)c1N ZINC000150593072 571522171 /nfs/dbraw/zinc/52/21/71/571522171.db2.gz FPRRTQFUCIKTDQ-LBYUQGKWSA-N -2 0 638.732 6.240 40 10 KKCBRL Nc1ccc2c(c1N=Nc1ccc(S(=O)(=O)[O-])cc1Cl)C=C(S(=O)(=O)[O-])C(=NNc1ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc1)C2=O ZINC000150631141 571524020 /nfs/dbraw/zinc/52/40/20/571524020.db2.gz MGJWBNYNGUJIDA-BNMYMGKPSA-N -3 0 802.203 9.591 40 10 KKCBRL Nc1c(/N=N/c2ccc3c(c2)sc2sc4cc(/N=N/c5cc(S(=O)(=O)[O-])c6ccccc6c5N)ccc4c32)cc(S(=O)(=O)[O-])c2ccccc12 ZINC000150664256 571528607 /nfs/dbraw/zinc/52/86/07/571528607.db2.gz AOZBOLQANCYAAV-HVMBLDELSA-N -2 0 738.854 10.064 40 10 KKCBRL CC(=O)Nc1ccc(N=Nc2cc3c(O)cc(NC(=O)Nc4ccc5c(c4)C=C(S(=O)(=O)[O-])C(=NNc4ccccc4)C5=O)cc3cc2S(=O)(=O)[O-])cc1 ZINC000159751816 571530541 /nfs/dbraw/zinc/53/05/41/571530541.db2.gz JUZHUDZDLLHLEO-QHHXFVPXSA-N -2 0 769.774 8.331 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2I)cc1 ZINC000164451219 571547970 /nfs/dbraw/zinc/54/79/70/571547970.db2.gz CGOKIIQORCOLSE-GIJQJNRQSA-N -2 0 726.115 5.760 40 10 KKCBRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(I)cc4)C3=O)o2)c1 ZINC000205771546 571571054 /nfs/dbraw/zinc/57/10/54/571571054.db2.gz XVWHUWXILYMFSW-VXLYETTFSA-N -2 0 575.336 5.184 40 10 KKCBRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=O)N(Cc4c(Cl)cccc4Cl)C3=O)o2)c1 ZINC000214831601 571581392 /nfs/dbraw/zinc/58/13/92/571581392.db2.gz NDAHUCXXBYNDRO-DJKKODMXSA-N -2 0 518.330 5.886 40 10 KKCBRL Nc1ccc(N=Nc2ccc(NC(=O)c3ccc(N=Nc4c(N)c5c(cc4S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C(=NNc4ccccc4)C5=O)cc3)cc2)c(N)c1 ZINC000299888272 572141110 /nfs/dbraw/zinc/14/11/10/572141110.db2.gz CJBSTBQSKQOJNB-UHFFFAOYSA-N -2 0 780.805 8.284 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408768118 1069872664 /nfs/dbraw/zinc/87/26/64/1069872664.db2.gz BXLDFBOLPMAKEF-WSDLNYQXSA-N -2 0 593.430 5.408 40 10 KKCBRL O=C([O-])COc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1I ZINC000408776437 1069881757 /nfs/dbraw/zinc/88/17/57/1069881757.db2.gz OUELFPFTEMIZQX-ODCIPOBUSA-N -2 0 752.343 5.493 40 10 KKCBRL O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Br)c4)C3=O)cc2I)cc1 ZINC000408776849 1069886521 /nfs/dbraw/zinc/88/65/21/1069886521.db2.gz RDWLBMQVLGOUPE-VXLYETTFSA-N -2 0 663.287 5.162 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408772461 1069884627 /nfs/dbraw/zinc/88/46/27/1069884627.db2.gz PLQFBBUXZCRKIZ-SRZZPIQSSA-N -2 0 579.403 5.018 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000408782111 1069906175 /nfs/dbraw/zinc/90/61/75/1069906175.db2.gz VSVNRUOJFOTJTJ-VXLYETTFSA-N -2 0 585.794 5.055 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408858341 1070068852 /nfs/dbraw/zinc/06/88/52/1070068852.db2.gz OTFKSCLLQJPZEI-LSFURLLWSA-N -2 0 609.473 5.055 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408853786 1070071245 /nfs/dbraw/zinc/07/12/45/1070071245.db2.gz SBBBSXOEPBEWCE-WSDLNYQXSA-N -2 0 640.430 5.250 40 10 KKCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc4ccccc43)C2=O)cc1 ZINC000408937785 1070292965 /nfs/dbraw/zinc/29/29/65/1070292965.db2.gz JURIECCMZDUPIY-BUVRLJJBSA-N -2 0 526.932 5.437 40 10 KKCBRL Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C1=O ZINC000408992147 1070359447 /nfs/dbraw/zinc/35/94/47/1070359447.db2.gz QPQFZQDJRJPHPP-VCHYOVAHSA-N -2 0 708.246 5.148 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409067475 1070484000 /nfs/dbraw/zinc/48/40/00/1070484000.db2.gz DWSLISVNYWSOBG-KEBDBYFISA-N -2 0 555.370 5.336 40 10 KKCBRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)c1 ZINC000409334232 1070840745 /nfs/dbraw/zinc/84/07/45/1070840745.db2.gz VINXGUDIBBLQFJ-ZDLGFXPLSA-N -2 0 519.478 5.768 40 10 KKCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)C2=O)cc1 ZINC000408938224 1071333345 /nfs/dbraw/zinc/33/33/45/1071333345.db2.gz KNCNSSJCSOZHCU-GIJQJNRQSA-N -2 0 590.213 5.700 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)cc1OCC(=O)[O-] ZINC000408948913 1071363458 /nfs/dbraw/zinc/36/34/58/1071363458.db2.gz HJTPKHMHNOZGQM-LSFURLLWSA-N -2 0 609.473 5.055 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408966051 1071411057 /nfs/dbraw/zinc/41/10/57/1071411057.db2.gz LEOXYTSRAVJGGS-CAOOACKPSA-N -2 0 532.380 5.070 40 10 KKCBRL Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)ccc1Br ZINC000408753705 1071656445 /nfs/dbraw/zinc/65/64/45/1071656445.db2.gz HGRJRKSIMPUWOL-GIJQJNRQSA-N -2 0 693.142 6.226 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000408753039 1071660298 /nfs/dbraw/zinc/66/02/98/1071660298.db2.gz HAWKGXBKZBVOKD-RGVLZGJSSA-N -2 0 658.299 5.862 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408767027 1071717262 /nfs/dbraw/zinc/71/72/62/1071717262.db2.gz YMBCMICGPRACPW-VXLYETTFSA-N -2 0 691.272 5.314 40 10 KKCBRL O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)o2)c1 ZINC000408763883 1071730536 /nfs/dbraw/zinc/73/05/36/1071730536.db2.gz LBLLEGZMHNYRSG-UKTHLTGXSA-N -2 0 505.697 5.271 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408778372 1071838384 /nfs/dbraw/zinc/83/83/84/1071838384.db2.gz SIUBFXCAVVRHDO-WSDLNYQXSA-N -2 0 640.430 5.250 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409076092 1072055310 /nfs/dbraw/zinc/05/53/10/1072055310.db2.gz XRXDXZIEVPYBFS-WPWMEQJKSA-N -2 0 578.577 5.218 40 10 KKCBRL Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000409075837 1072055724 /nfs/dbraw/zinc/05/57/24/1072055724.db2.gz YLFRRIUIXHAATB-RGVLZGJSSA-N -2 0 569.795 5.355 40 10 KKCBRL Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1Cl ZINC000409070426 1072096216 /nfs/dbraw/zinc/09/62/16/1072096216.db2.gz GFVPANPWZFIGPL-DJKKODMXSA-N -2 0 559.789 5.899 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000409069118 1072107368 /nfs/dbraw/zinc/10/73/68/1072107368.db2.gz WHTHEFCPVMEHEA-VXLYETTFSA-N -2 0 529.307 5.076 40 10 KKCBRL CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000409077521 1072154785 /nfs/dbraw/zinc/15/47/85/1072154785.db2.gz FVHWAGDDPFYHBT-CIAFOILYSA-N -2 0 644.272 5.554 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000409098402 1072332203 /nfs/dbraw/zinc/33/22/03/1072332203.db2.gz LHOWEOHTHFDHNI-GZTJUZNOSA-N -2 0 512.349 5.074 40 10 KKCBRL Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000409334960 1072343166 /nfs/dbraw/zinc/34/31/66/1072343166.db2.gz JHIMLHGMNIUCDY-OCKHKDLRSA-N -2 0 512.349 5.074 40 10 KKCBRL O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2I)cc1 ZINC000409336941 1072405803 /nfs/dbraw/zinc/40/58/03/1072405803.db2.gz REDUEKNUWZEFPP-KKMKTNMSSA-N -2 0 828.441 7.307 40 10 KKCBRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=O)N(Cc4cccc(Br)c4)C3=O)o2)c1 ZINC000409164532 1072659192 /nfs/dbraw/zinc/65/91/92/1072659192.db2.gz JWVXFZGCNJRZEK-VXLYETTFSA-N -2 0 528.336 5.342 40 10 KKCBRL CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc(C(=O)[O-])cc3)C(=O)[N-]C2=S)cc1 ZINC000409377519 1072679482 /nfs/dbraw/zinc/67/94/82/1072679482.db2.gz HRJPSSQMJMCFOX-HYARGMPZSA-N -2 0 565.445 5.120 40 10 KKCBRL CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4cccc(C(=O)[O-])c4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409385269 1072693902 /nfs/dbraw/zinc/69/39/02/1072693902.db2.gz HDEZAFSIERWTRQ-CIAFOILYSA-N -2 0 551.020 5.020 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409384942 1072695237 /nfs/dbraw/zinc/69/52/37/1072695237.db2.gz GXBLBIVQVUDLNU-FYJGNVAPSA-N -2 0 533.675 5.181 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000409245195 1073086036 /nfs/dbraw/zinc/08/60/36/1073086036.db2.gz OUMGDZSFHJXACQ-WSDLNYQXSA-N -2 0 522.026 5.400 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000409242154 1073097863 /nfs/dbraw/zinc/09/78/63/1073097863.db2.gz NABVXEGPXZZGRV-OEAKJJBVSA-N -2 0 501.608 5.055 40 10 KKCBRL O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)cc1Cl ZINC000409249754 1073139781 /nfs/dbraw/zinc/13/97/81/1073139781.db2.gz OJHVKOCEDFALPU-MHWRWJLKSA-N -2 0 520.872 5.148 40 10 KKCBRL Cc1cc(/N=N/c2cc(S(=O)(=O)[O-])c3ccccc3c2N)ccc1-c1ccc(/N=N/c2cc(S(=O)(=O)[O-])c3ccccc3c2N)cc1C ZINC000004365940 552458230 /nfs/dbraw/zinc/45/82/30/552458230.db2.gz UVHHADIQQIICAV-HVMBLDELSA-N -2 0 680.768 8.765 40 10 KKCBRL O=C([O-])C1=C([O-])C=CC(=NNc2ccc(NN=C3C=Cc4c(cccc4S(=O)(=O)[O-])C3=O)c3ccccc23)C1=O ZINC000004705998 552472011 /nfs/dbraw/zinc/47/20/11/552472011.db2.gz ZDJYHTYMDDHACP-FUEWEDNTSA-N -3 0 558.528 6.886 40 10 KKCBRL O=c1ccc(=NNc2ccc(S(=O)(=O)[O-])c3ccccc23)c(=O)c1=NNc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC000004887196 552488648 /nfs/dbraw/zinc/48/86/48/552488648.db2.gz FNPVZVCEDZMLGA-QAVVBOBSSA-N -2 0 578.584 6.728 40 10 KKCBRL CN(C)c1ccc(/C=C(/C(=O)[O-])c2csc(-c3nc(/C(=C\c4ccc(N(C)C)cc4)C(=O)[O-])cs3)n2)cc1 ZINC000005732612 552508112 /nfs/dbraw/zinc/50/81/12/552508112.db2.gz DFPLOGZSKWHWDQ-JFMUQQRKSA-N -2 0 546.674 5.649 40 10 KKCBRL Nc1ccc2cc(S(=O)(=O)[O-])cc([O-])c2c1/N=N/c1ccc(-c2ccc(/N=N/c3c(N)ccc4cc(S(=O)(=O)[O-])cc([O-])c43)cc2)cc1 ZINC000095101003 553699878 /nfs/dbraw/zinc/69/98/78/553699878.db2.gz MPTZYMIJXLJHHT-ATXIYDNESA-N -4 0 684.712 7.560 40 10 KKCBRL COc1cc(/N=N/c2ccc3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c3c2)ccc1/N=N/c1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1C ZINC000095538185 553703064 /nfs/dbraw/zinc/70/30/64/553703064.db2.gz CGBGIPVEMXYBAV-PSLWYDSHSA-N -2 0 778.825 8.986 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(NN=C3C=C(S(=O)(=O)[O-])c4ccccc4C3=O)c3ccccc23)C=CC1=O ZINC000033352938 553922497 /nfs/dbraw/zinc/92/24/97/553922497.db2.gz OJXHWINQRMISSW-DUJDKOHPSA-N -2 0 542.529 7.180 40 10 KKCBRL Cc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000033794019 553974104 /nfs/dbraw/zinc/97/41/04/553974104.db2.gz UKGCIIPCEOXMPX-RGVLZGJSSA-N -2 0 507.999 5.734 40 10 KKCBRL O=C([O-])c1cccc(-n2cccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1 ZINC000100324236 554308212 /nfs/dbraw/zinc/30/82/12/554308212.db2.gz ARIVNNYAXVWKMH-DICXZTSXSA-N -2 0 535.600 5.310 40 10 KKCBRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2 ZINC000058849672 554369140 /nfs/dbraw/zinc/36/91/40/554369140.db2.gz MMPACELKWFSOIP-WZOHSFFVSA-N -2 0 510.999 5.674 40 10 KKCBRL CCOc1ccc(N2C(=O)C(=Cc3ccccc3OCc3ccc(C(=O)[O-])cc3)C(=O)[N-]C2=S)cc1 ZINC000059105031 554380075 /nfs/dbraw/zinc/38/00/75/554380075.db2.gz UXCFQUNHCVAEGP-PXLXIMEGSA-N -2 0 502.548 5.034 40 10 KKCBRL Cc1cc(C(=O)[O-])ccc1-c1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)o1 ZINC000059198597 554385011 /nfs/dbraw/zinc/38/50/11/554385011.db2.gz UVOOKTDPDRCIFJ-WOJGMQOQSA-N -2 0 511.353 5.387 40 10 KKCBRL Cc1[n-]n(-c2ccccc2)c(=O)c1C(=Nc1ccccc1N=C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1ccccc1)c1ccccc1 ZINC000100975693 554546813 /nfs/dbraw/zinc/54/68/13/554546813.db2.gz ALISLIUSGOASRW-JXPYRENWSA-N -2 0 628.736 8.178 40 10 KKCBRL O=C1C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccc(N=Nc2ccccc2)cc1 ZINC000101147386 554656331 /nfs/dbraw/zinc/65/63/31/554656331.db2.gz QHXMGBJYVJFXEU-RUFRKCMOSA-N -2 0 512.525 5.870 40 10 KKCBRL O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Cl)cc(Br)c1[O-] ZINC000103842706 571362531 /nfs/dbraw/zinc/36/25/31/571362531.db2.gz FUNGKMYLWAOSRL-ZVBGSRNCSA-N -2 0 555.856 5.942 40 10 KKCBRL O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000103859687 571367186 /nfs/dbraw/zinc/36/71/86/571367186.db2.gz IJAIBERHEHANDM-UDWIEESQSA-N -2 0 600.219 5.155 40 10 KKCBRL CC(=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1)c1c(=O)n(-c2ccc([N+](=O)[O-])cc2)[n-]c1-c1ccccc1 ZINC000103921172 571369737 /nfs/dbraw/zinc/36/97/37/571369737.db2.gz ILCZMYLKEKABBI-PLRJNAJWSA-N -2 0 572.603 5.137 40 10 KKCBRL O=c1ccc(=NNc2ccc(S(=O)(=O)[O-])c3ccccc23)c(=O)c1=NNc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC000104045323 571371704 /nfs/dbraw/zinc/37/17/04/571371704.db2.gz FNPVZVCEDZMLGA-ZUELCTOOSA-N -2 0 578.584 6.728 40 10 KKCBRL Cc1cc(N=Nc2ccc(C(=O)[O-])cc2)c(N)c(N=Nc2ccc(NN=C3C=CC(=O)C(C(=O)[O-])=C3)cc2)c1N ZINC000104048933 571371723 /nfs/dbraw/zinc/37/17/23/571371723.db2.gz KQHQVUTZYQDCGM-TVMGYPAFSA-N -2 0 538.524 7.508 40 10 KKCBRL Cc1cc(N=Nc2ccc(C(=O)[O-])cc2)c(N)c(N=Nc2ccc(NN=C3C=CC(=O)C(C(=O)[O-])=C3)cc2)c1N ZINC000104048942 571371725 /nfs/dbraw/zinc/37/17/25/571371725.db2.gz KQHQVUTZYQDCGM-BBKIRNDYSA-N -2 0 538.524 7.508 40 10 KKCBRL Cc1ccc(N=Nc2cc(C)c(N)c(N=Nc3ccc(NN=C4C=C(C(=O)[O-])C(=O)C(S(=O)(=O)[O-])=C4)c(C)c3)c2N)cc1 ZINC000104050492 571371770 /nfs/dbraw/zinc/37/17/70/571371770.db2.gz VBBHCYVWGOKODU-SWWGJXPPSA-N -2 0 602.633 7.673 40 10 KKCBRL Nc1ccc(N=Nc2ccc(C(=O)[O-])cc2)c(N)c1N=Nc1ccc(NN=C2C=CC(=O)C(C(=O)[O-])=C2)cc1 ZINC000104050454 571371824 /nfs/dbraw/zinc/37/18/24/571371824.db2.gz LDRNQVKKBYGPER-CKKIAZJSSA-N -2 0 524.497 7.199 40 10 KKCBRL Nc1ccc2cc(S(=O)(=O)[O-])cc(O)c2c1N=Nc1ccc(-c2ccc(NN=C3C=CC(=O)C(C(=O)[O-])=C3)cc2)cc1 ZINC000104135487 571374591 /nfs/dbraw/zinc/37/45/91/571374591.db2.gz OKRYVJRSHSURIS-IUQQBYGBSA-N -3 0 583.582 7.276 40 10 KKCBRL Cc1c(N=Nc2cc(N=Nc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)c(N)cc2N)cccc1S(=O)(=O)[O-] ZINC000104337922 571379358 /nfs/dbraw/zinc/37/93/58/571379358.db2.gz BFOIOBIKWZUYAS-OIZKEGIASA-N -2 0 574.579 7.056 40 10 KKCBRL O=C1c2c(cccc2S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C1=NNc1ccc(N=Nc2ccccc2)cc1 ZINC000104366405 571379568 /nfs/dbraw/zinc/37/95/68/571379568.db2.gz JSULGLNYTBQZQY-HXEHWPEMSA-N -2 0 512.525 5.870 40 10 KKCBRL Nc1ccc2c(O)c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c(S(=O)(=O)[O-])cc2c1 ZINC000104367049 571379599 /nfs/dbraw/zinc/37/95/99/571379599.db2.gz WGIIJSJDWAQMMF-RNDSACKQSA-N -2 0 527.540 5.452 40 10 KKCBRL Nc1c(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc(S(=O)(=O)[O-])c2c1C(=O)C(=NNc1ccc([N+](=O)[O-])cc1)C=C2 ZINC000104370047 571379618 /nfs/dbraw/zinc/37/96/18/571379618.db2.gz DXTNAPUMANMBMM-DSOYXUETSA-N -2 0 572.537 5.360 40 10 KKCBRL O=C1C=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000104381526 571379864 /nfs/dbraw/zinc/37/98/64/571379864.db2.gz RIDBENMURUEPGK-RIIXPHEHSA-N -2 0 512.525 5.870 40 10 KKCBRL COc1cc(N=Nc2ccc(S(=O)(=O)[O-])cc2)ccc1NN=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O ZINC000104389102 571379914 /nfs/dbraw/zinc/37/99/14/571379914.db2.gz XOTQPIXCCVYCLG-RNDSACKQSA-N -2 0 542.551 5.878 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(C(=O)[O-])cc2)c1N ZINC000104389148 571379970 /nfs/dbraw/zinc/37/99/70/571379970.db2.gz JFQFXEDASJBRFE-MFFYRYHASA-N -2 0 614.622 9.175 40 10 KKCBRL CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)[N-]C2=S)cc1 ZINC000150343391 571458913 /nfs/dbraw/zinc/45/89/13/571458913.db2.gz DZUONIVZXUTMNV-RGVLZGJSSA-N -2 0 738.341 5.567 40 10 KKCBRL Nc1ccc2ccccc2c1/N=N/c1ccc(/C=C/c2ccc(/N=N\c3c(N)ccc4ccccc43)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1 ZINC000150365719 571464670 /nfs/dbraw/zinc/46/46/70/571464670.db2.gz ANGMGEOZQHWOBK-SXUZXVSGSA-N -2 0 678.752 8.652 40 10 KKCBRL Nc1c(N=Nc2cc(Cl)ccc2Cl)c(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccc(Sc3ccc(NN=C4C=CC(=O)C=C4)cc3)cc1)C(S(=O)(=O)[O-])=C2 ZINC000150366608 571464767 /nfs/dbraw/zinc/46/47/67/571464767.db2.gz XSHXIBNMPNPIGZ-RCESHBDTSA-N -2 0 824.706 11.031 40 10 KKCBRL O=S(=O)([O-])c1cc([O-])c2c(c1)cc(S(=O)(=O)[O-])cc2N=Nc1ccc(N=Nc2c(O)c3ccc(Nc4ccccc4)cc3cc2S(=O)(=O)[O-])c2ccccc12 ZINC000150366735 571464841 /nfs/dbraw/zinc/46/48/41/571464841.db2.gz LINZZVAECORMOM-JUVGSLAESA-N -4 0 799.821 8.872 40 10 KKCBRL Cc1[n-]n(-c2cc(S(=O)(=O)[O-])ccc2Cl)c(=O)c1N=Nc1c(NC(=O)c2ccc(N)cc2)ccc2cc(S(=O)(=O)[O-])ccc21 ZINC000150366744 571464859 /nfs/dbraw/zinc/46/48/59/571464859.db2.gz XMUMIXMQJZWGMT-MVJHLKBCSA-N -3 0 657.086 5.436 40 10 KKCBRL Cc1cc(/N=N/c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2C)ccc1/N=N/c1ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2c1 ZINC000150367632 571465034 /nfs/dbraw/zinc/46/50/34/571465034.db2.gz SGYVGYBOSGJYNI-LBYUQGKWSA-N -2 0 688.700 7.941 40 10 KKCBRL Cc1cc(C)c(N=Nc2c(O)c3ccc(N=Nc4ccc(NC(=O)c5ccc(N)cc5)cc4C)cc3cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1 ZINC000150367667 571465101 /nfs/dbraw/zinc/46/51/01/571465101.db2.gz FONSAFAAZUIRET-GRNCQUCOSA-N -2 0 688.744 7.629 40 10 KKCBRL COc1cc(/N=N\c2ccc(S(=O)(=O)[O-])cc2)c(C)cc1/N=N\c1cc(S(=O)(=O)[O-])c(NC(=O)c2ccc(N)cc2)cc1NC(C)=O ZINC000150367648 571465133 /nfs/dbraw/zinc/46/51/33/571465133.db2.gz JKNWPYBYAWGWJD-GLTNCGNLSA-N -2 0 681.709 6.121 40 10 KKCBRL Cc1cc(N=Nc2ccc(NC(=O)c3ccc(N)cc3)cc2C)ccc1N=Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc(S(=O)(=O)[O-])cc1)c2O ZINC000150367718 571465143 /nfs/dbraw/zinc/46/51/43/571465143.db2.gz WWCSCPADJCGIHC-RRQUUFTFSA-N -2 0 778.829 9.736 40 10 KKCBRL COc1cc(NC(=O)c2ccc(NC(=O)c3ccc(N)cc3)cc2)c(OC)cc1/N=N\c1ccc(/N=N/c2ccc3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c3c2)c(C)c1 ZINC000150367736 571465144 /nfs/dbraw/zinc/46/51/44/571465144.db2.gz BALZFKIPWTYHFO-ZIBHNJFKSA-N -2 0 823.866 8.576 40 10 KKCBRL COc1cc(NC(=O)c2ccc(NC(=O)c3ccc(N)cc3)cc2)c(OC)cc1/N=N/c1ccc(/N=N\c2ccc3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c3c2)c(C)c1 ZINC000150367738 571465152 /nfs/dbraw/zinc/46/51/52/571465152.db2.gz BALZFKIPWTYHFO-XFBDKGKHSA-N -2 0 823.866 8.576 40 10 KKCBRL Cc1cc(N=Nc2ccc(Sc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(C(=O)[O-])cc2)c1N ZINC000150368089 571465198 /nfs/dbraw/zinc/46/51/98/571465198.db2.gz OMYQZIJDBGYBCY-QAPVMQAESA-N -2 0 646.689 9.659 40 10 KKCBRL CN(C)C(=O)c1ccc(N=Nc2c(N)c(N=Nc3ccc(-c4ccc(NN=C5C=CC(=O)C(C(=O)[O-])=C5)cc4)cc3)cc(S(=O)(=O)[O-])c2N)cc1 ZINC000150368134 571465322 /nfs/dbraw/zinc/46/53/22/571465322.db2.gz JTCAWZZMHMZTFB-XSPVDOFASA-N -2 0 707.729 8.117 40 10 KKCBRL Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=Nc1ccc(-c2ccc(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)c(S(=O)(=O)[O-])c2)cc1 ZINC000150384396 571468314 /nfs/dbraw/zinc/46/83/14/571468314.db2.gz VIMSRKLHXNUATO-HHOSHSEASA-N -3 0 788.842 7.214 40 10 KKCBRL Cc1cc(-c2ccc(/N=N\c3c(N)c(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])ccc43)c(C)c2)ccc1/N=N\c1cc(S(=O)(=O)[O-])c2ccccc2c1N ZINC000150386575 571469346 /nfs/dbraw/zinc/46/93/46/571469346.db2.gz LIFWPZLVTZZVLJ-YKSAKOAQSA-N -3 0 760.832 8.012 40 10 KKCBRL O=S(=O)([O-])c1cccc2c(/N=N\c3ccc(/N=N\c4ccc(Nc5ccccc5)c5c4cccc5S(=O)(=O)[O-])c4ccccc34)cccc21 ZINC000150386579 571469355 /nfs/dbraw/zinc/46/93/55/571469355.db2.gz JWRKFFQQNVQJLW-JZDQSOLYSA-N -2 0 687.759 10.214 40 10 KKCBRL Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccc(-c3ccc(NN=C4C=CC(=O)C=C4)cc3)cc1)C(S(=O)(=O)[O-])=C2 ZINC000150386559 571469391 /nfs/dbraw/zinc/46/93/91/571469391.db2.gz STOOUUMSJPLRNI-FYNRZTEESA-N -2 0 768.746 9.148 40 10 KKCBRL Nc1c(N=Nc2ccc(-c3ccc(NN=C4C=C(S(=O)(=O)[O-])c5ccccc5C4=O)cc3)cc2)cc(S(=O)(=O)[O-])c2ccccc12 ZINC000150386557 571469419 /nfs/dbraw/zinc/46/94/19/571469419.db2.gz TZCACGMZCLGYSG-QYQVJVQQSA-N -2 0 653.698 8.272 40 10 KKCBRL Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccc([N+](=O)[O-])cc1)C(S(=O)(=O)[O-])=C2 ZINC000150388954 571471387 /nfs/dbraw/zinc/47/13/87/571471387.db2.gz DLXYNWYHZXKBET-OWUYFMIJSA-N -2 0 617.534 5.268 40 10 KKCBRL Cc1cc(-c2ccc(/N=N\c3c(N)c(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])ccc43)c(C)c2)ccc1/N=N\c1c(N)ccc2cc(S(=O)(=O)[O-])ccc21 ZINC000150454429 571503941 /nfs/dbraw/zinc/50/39/41/571503941.db2.gz OFGVQLJUXSRVEG-YKSAKOAQSA-N -3 0 760.832 8.012 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(N)cc2)ccc1N=Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccc3cc(S(=O)(=O)[O-])ccc3c1)C2=O ZINC000150475602 571510658 /nfs/dbraw/zinc/51/06/58/571510658.db2.gz SUCVNJJGJQUCBI-NGHPONOGSA-N -2 0 710.750 8.166 40 10 KKCBRL Nc1ccc(/N=N/c2ccc(-c3ccc(/N=N\c4ccc(N)c5cc(S(=O)(=O)[O-])ccc45)cc3)cc2)c2ccc(S(=O)(=O)[O-])cc12 ZINC000150475571 571510697 /nfs/dbraw/zinc/51/06/97/571510697.db2.gz ICGRLKBLKOYWSO-LYERXDRPSA-N -2 0 652.714 8.149 40 10 KKCBRL COC1=CC(=C2C=CC(=NNc3cc(S(=O)(=O)[O-])c4ccccc4c3O)C(OC)=C2)C=CC1=NN=C1C(=O)c2ccc(N)cc2C=C1S(=O)(=O)[O-] ZINC000150476951 571511025 /nfs/dbraw/zinc/51/10/25/571511025.db2.gz DAUWYVUKZMSMCP-PKJKGCPLSA-N -2 0 729.749 7.995 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(-c3ccc(NN=C4C(=O)c5cc(Nc6ccccc6)ccc5C=C4S(=O)(=O)[O-])cc3)cc2)C=CC1=O ZINC000150476997 571511045 /nfs/dbraw/zinc/51/10/45/571511045.db2.gz GNBQDUZSFCDONM-YKSAKOAQSA-N -2 0 659.680 9.437 40 10 KKCBRL Nc1cc(N)c(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1N=Nc1ccc(-c2ccc(NN=C3C=CC(=O)C(C(=O)[O-])=C3)cc2)cc1 ZINC000150478935 571511549 /nfs/dbraw/zinc/51/15/49/571511549.db2.gz ZPTZVNALDNIANP-YATLTFAKSA-N -2 0 636.650 8.415 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(-c3ccc(N=Nc4ccc(NN=C5C=CC(=O)C(C(=O)[O-])=C5)c5cc(S(=O)(=O)[O-])ccc45)cc3)cc2)C=CC1=O ZINC000150478996 571511579 /nfs/dbraw/zinc/51/15/79/571511579.db2.gz AUTINFVSBXCWKB-HBUPIULHSA-N -3 0 716.688 9.807 40 10 KKCBRL Nc1cc(N)c(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1N=Nc1ccc(-c2ccc(NN=C3C=CC(=O)C(C(=O)[O-])=C3)cc2)cc1 ZINC000150478941 571511649 /nfs/dbraw/zinc/51/16/49/571511649.db2.gz ZPTZVNALDNIANP-YJKJYERWSA-N -2 0 636.650 8.415 40 10 KKCBRL O=C(Nc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1)c1ccc(NN=C2C(=O)C(S(=O)(=O)[O-])=Cc3cc(S(=O)(=O)[O-])ccc32)cc1 ZINC000150485121 571515610 /nfs/dbraw/zinc/51/56/10/571515610.db2.gz OFCRITMYKPPMQY-HSBKYFPUSA-N -3 0 711.712 6.369 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2cc(Cl)ccc2S(=O)(=O)[O-])c1N ZINC000150485128 571515766 /nfs/dbraw/zinc/51/57/66/571515766.db2.gz VWTMKDWOLMLALS-LJEMIJFJSA-N -2 0 685.122 9.377 40 10 KKCBRL O=C(Nc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1)c1ccc(NN=C2C=C(S(=O)(=O)[O-])c3ccccc3C2=O)cc1 ZINC000150485370 571515774 /nfs/dbraw/zinc/51/57/74/571515774.db2.gz REMRICIEHNMMRH-NELHQWCOSA-N -2 0 631.648 7.122 40 10 KKCBRL Cc1cc(N)ccc1N=Nc1ccc(-c2ccc(NN=C3C(=O)c4c(N)c(N=Nc5ccc([N+](=O)[O-])cc5)c(S(=O)(=O)[O-])cc4C=C3S(=O)(=O)[O-])cc2)cc1 ZINC000150485503 571515886 /nfs/dbraw/zinc/51/58/86/571515886.db2.gz PGHYOTNKBLUUTR-LMAUOPDLSA-N -2 0 781.789 9.333 40 10 KKCBRL Cc1cc(N=Nc2ccc(Sc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(S(=O)(=O)[O-])c3ccccc23)c1N ZINC000150485514 571515911 /nfs/dbraw/zinc/51/59/11/571515911.db2.gz NCUJGFYVGLZOIW-JLKPMFJHSA-N -2 0 732.804 10.361 40 10 KKCBRL Cc1cc(N=Nc2ccc(Sc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(S(=O)(=O)[O-])c3ccccc23)c1N ZINC000150485530 571515937 /nfs/dbraw/zinc/51/59/37/571515937.db2.gz NCUJGFYVGLZOIW-QINCSUDISA-N -2 0 732.804 10.361 40 10 KKCBRL COc1cc(-c2ccc(NN=C3C=C(S(=O)(=O)[O-])c4ccccc4C3=O)c(OC)c2)ccc1N=Nc1c(O)c2cc(O)c(C(=O)[O-])cc2cc1S(=O)(=O)[O-] ZINC000150570505 571521348 /nfs/dbraw/zinc/52/13/48/571521348.db2.gz ISDJYMKMTCNNEJ-NFSGFYSESA-N -3 0 774.742 7.816 40 10 KKCBRL COc1cc(-c2ccc(NN=C3C=C(S(=O)(=O)[O-])c4ccccc4C3=O)c(OC)c2)ccc1N=Nc1c(O)c2cc(O)c(C(=O)[O-])cc2cc1S(=O)(=O)[O-] ZINC000150570496 571521382 /nfs/dbraw/zinc/52/13/82/571521382.db2.gz ISDJYMKMTCNNEJ-VAXAQTQESA-N -3 0 774.742 7.816 40 10 KKCBRL Nc1ccc(N=Nc2ccc3c(c2)C(=O)C(=NNc2ccc(N=Nc4ccc(N)cc4N)c(S(=O)(=O)[O-])c2)C(S(=O)(=O)[O-])=C3)c(N)c1 ZINC000150578847 571521636 /nfs/dbraw/zinc/52/16/36/571521636.db2.gz ADRMADAIKSWNOR-WCTHACSNSA-N -2 0 676.697 6.614 40 10 KKCBRL CCOc1cc(N=Nc2ccc(N)c(OC)c2)c2cc(S(=O)(=O)[O-])ccc2c1NN=C1C(=O)C=Cc2cc(S(=O)(=O)[O-])ccc21 ZINC000150629536 571523801 /nfs/dbraw/zinc/52/38/01/571523801.db2.gz OFEWTTHURUAVAY-NELHQWCOSA-N -2 0 651.679 7.012 40 10 KKCBRL CCOc1cc(N=Nc2ccc(N)c(OC)c2)c2cc(S(=O)(=O)[O-])ccc2c1NN=C1C(=O)C=Cc2cc(S(=O)(=O)[O-])ccc21 ZINC000150629543 571523884 /nfs/dbraw/zinc/52/38/84/571523884.db2.gz OFEWTTHURUAVAY-HSBKYFPUSA-N -2 0 651.679 7.012 40 10 KKCBRL Nc1ccc2c(O)c(N=Nc3ccc(N=Nc4ccc(N=Nc5ccccc5)c5cc(S(=O)(=O)[O-])ccc45)c4cc(S(=O)(=O)[O-])ccc34)c(S(=O)(=O)[O-])cc2c1 ZINC000150629773 571524052 /nfs/dbraw/zinc/52/40/52/571524052.db2.gz LBAISCBMCNRAKF-CIIDETAZSA-N -3 0 811.836 9.420 40 10 KKCBRL Nc1ccc2c(c1N=Nc1ccc(S(=O)(=O)[O-])cc1Cl)C=C(S(=O)(=O)[O-])C(=NNc1ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc1)C2=O ZINC000150631140 571524063 /nfs/dbraw/zinc/52/40/63/571524063.db2.gz MGJWBNYNGUJIDA-VZWGLXTKSA-N -3 0 802.203 9.591 40 10 KKCBRL CC1=NN(c2ccc(-c3nc4ccc(C)c(S(=O)(=O)[O-])c4s3)cc2)[C@@H](O)[C@@H]1/N=N/c1ccc(NC(=O)c2cccc(N)c2)cc1S(=O)(=O)[O-] ZINC000150637991 571524415 /nfs/dbraw/zinc/52/44/15/571524415.db2.gz HHWVPWRGKWZSML-MUYJJADESA-N -2 0 721.799 5.266 40 10 KKCBRL CC1=NN(c2ccc(-c3nc4ccc(C)c(S(=O)(=O)[O-])c4s3)cc2)[C@@H](O)[C@@H]1/N=N\c1ccc(NC(=O)c2cccc(N)c2)cc1S(=O)(=O)[O-] ZINC000150637987 571524447 /nfs/dbraw/zinc/52/44/47/571524447.db2.gz HHWVPWRGKWZSML-GXAYLOMVSA-N -2 0 721.799 5.266 40 10 KKCBRL O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4F)C3=O)cc2I)cc1 ZINC000164399266 571547157 /nfs/dbraw/zinc/54/71/57/571547157.db2.gz GHYHXPQJJWJUDC-CXUHLZMHSA-N -2 0 728.277 5.143 40 10 KKCBRL Cc1cccc(NN=C2C(=O)c3ccc(NC(=O)Nc4ccc5c(c4)cc(S(=O)(=O)[O-])c(N=Nc4ccc6cc(S(=O)(=O)[O-])ccc6c4)c5O)cc3C=C2S(=O)(=O)[O-])c1 ZINC000261119155 572098869 /nfs/dbraw/zinc/09/88/69/572098869.db2.gz JHNPNFGCYLLNGG-UHFFFAOYSA-N -3 0 856.873 9.081 40 10 KKCBRL O=C1c2ccccc2C(S(=O)(=O)[O-])=CC1=NNc1ccc(C=Cc2ccc(NN=C3C=C(S(=O)(=O)[O-])c4ccccc4C3=O)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1 ZINC000263604351 572129342 /nfs/dbraw/zinc/12/93/42/572129342.db2.gz OORCZLZITMPZPT-YSYJPELISA-N -4 0 840.848 7.392 40 10 KKCBRL COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)C(=O)[O-])o2)c1 ZINC000408633798 572290603 /nfs/dbraw/zinc/29/06/03/572290603.db2.gz PNUVMYCZWYKOAJ-UUYOSTAYSA-N -2 0 521.551 5.077 40 10 KKCBRL CCn1c(S/C(=C\c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408634889 572291951 /nfs/dbraw/zinc/29/19/51/572291951.db2.gz XRQMHSGLKNWFRU-OYKKKHCWSA-N -2 0 548.621 5.306 40 10 KKCBRL CCN(c1ccccc1)S(=O)(=O)c1ccccc1/N=N/c1c(N)ccc2cc(S(=O)(=O)[O-])cc([O-])c21 ZINC000100049798 1069695592 /nfs/dbraw/zinc/69/55/92/1069695592.db2.gz RJZLMBIYRSBCDQ-CYYJNZCTSA-N -2 0 526.596 5.005 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000408859107 1070080467 /nfs/dbraw/zinc/08/04/67/1070080467.db2.gz SSVROALBDWPYKX-GZTJUZNOSA-N -2 0 528.417 5.239 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000408894439 1070143634 /nfs/dbraw/zinc/14/36/34/1070143634.db2.gz CMQNVZUCVUFUSS-SRZZPIQSSA-N -2 0 579.403 5.018 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000408894471 1070143679 /nfs/dbraw/zinc/14/36/79/1070143679.db2.gz CPGZBGZYPSNUSI-VXLYETTFSA-N -2 0 585.794 5.055 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000408914557 1070213708 /nfs/dbraw/zinc/21/37/08/1070213708.db2.gz YKTWGNNRKLCIEE-VCHYOVAHSA-N -2 0 512.349 5.074 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408948792 1070313783 /nfs/dbraw/zinc/31/37/83/1070313783.db2.gz GWOHUSSQMZVILG-XODNFHPESA-N -2 0 641.120 6.760 40 10 KKCBRL O=C([O-])c1cccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)c3ccccc32)c1 ZINC000408956043 1070323162 /nfs/dbraw/zinc/32/31/62/1070323162.db2.gz VTAXFWCSBQUTET-WCMJOSRZSA-N -2 0 599.687 6.522 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1Cl ZINC000408965573 1070330875 /nfs/dbraw/zinc/33/08/75/1070330875.db2.gz IXOBPCGNADCFMN-LZYBPNLTSA-N -2 0 532.380 5.070 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000409067510 1070484107 /nfs/dbraw/zinc/48/41/07/1070484107.db2.gz RAYGSVKXMRANRM-CAOOACKPSA-N -2 0 669.109 6.462 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000409075795 1070489270 /nfs/dbraw/zinc/48/92/70/1070489270.db2.gz YCDBROLFCFEDQI-VXLYETTFSA-N -2 0 679.115 5.918 40 10 KKCBRL Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C(=O)[N-]C1=S ZINC000409098835 1070532227 /nfs/dbraw/zinc/53/22/27/1070532227.db2.gz QPWZTUUYOAEBJT-XNTDXEJSSA-N -2 0 501.347 5.091 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409385231 1070902587 /nfs/dbraw/zinc/90/25/87/1070902587.db2.gz IPWPDQFYWDXVJC-LICLKQGHSA-N -2 0 558.443 5.706 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408937100 1071204748 /nfs/dbraw/zinc/20/47/48/1071204748.db2.gz HWLPNYRKODKGBF-YDZHTSKRSA-N -2 0 648.409 5.397 40 10 KKCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3c(OCc4ccc(Br)cc4)ccc4ccccc43)C2=O)cc1 ZINC000408935301 1071224730 /nfs/dbraw/zinc/22/47/30/1071224730.db2.gz CPCOTJHEFOFBLN-BUVRLJJBSA-N -2 0 571.383 5.546 40 10 KKCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000408934922 1071230462 /nfs/dbraw/zinc/23/04/62/1071230462.db2.gz BQWTZUORNDHKKW-VXLYETTFSA-N -2 0 545.762 5.590 40 10 KKCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(Br)cc4)c(Br)c3)C2=O)cc1 ZINC000408943930 1071260572 /nfs/dbraw/zinc/26/05/72/1071260572.db2.gz SSSNUNXGEQLFBU-YBFXNURJSA-N -2 0 600.219 5.155 40 10 KKCBRL COc1cc(-c2ccc(NN=C3C=Cc4c(S(=O)(=O)[O-])ccc(N)c4C3=O)c(OC)c2)ccc1NN=C1C=Cc2c(S(=O)(=O)[O-])ccc(N)c2C1=O ZINC000150460426 1071326981 /nfs/dbraw/zinc/32/69/81/1071326981.db2.gz LJYNGPGCTAINSF-HVMBLDELSA-N -2 0 744.764 7.577 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408938430 1071332664 /nfs/dbraw/zinc/33/26/64/1071332664.db2.gz QLXWEHNYFWKXGZ-RGVLZGJSSA-N -2 0 691.272 5.396 40 10 KKCBRL O=C([O-])c1cc(-c2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)o2)ccc1Cl ZINC000408952395 1071345899 /nfs/dbraw/zinc/34/58/99/1071345899.db2.gz NOZUMHMALKOWAF-MXAYSNPKSA-N -2 0 571.029 6.432 40 10 KKCBRL Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)o1 ZINC000408947930 1071369228 /nfs/dbraw/zinc/36/92/28/1071369228.db2.gz DSHGRXGCYAGNNK-MZJWZYIUSA-N -2 0 550.611 6.087 40 10 KKCBRL O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Cl)c([O-])c(Br)c1 ZINC000408956376 1071379419 /nfs/dbraw/zinc/37/94/19/1071379419.db2.gz WIXFHPHMFCXCKG-DNTJNYDQSA-N -2 0 555.856 5.942 40 10 KKCBRL COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408985156 1071503952 /nfs/dbraw/zinc/50/39/52/1071503952.db2.gz VWYBFMQYJUNIGA-OCKHKDLRSA-N -2 0 555.370 5.254 40 10 KKCBRL Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1cccc(OC(=O)c2ccc(Br)cc2)c1 ZINC000408984718 1071508292 /nfs/dbraw/zinc/50/82/92/1071508292.db2.gz JOJPEXZLGDJUJF-UHFFFAOYSA-N -2 0 635.518 7.248 40 10 KKCBRL CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408984402 1071510185 /nfs/dbraw/zinc/51/01/85/1071510185.db2.gz QMXNONGZGYSHPS-XKZIYDEJSA-N -2 0 640.430 5.196 40 10 KKCBRL Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)cc1C ZINC000408999681 1071653637 /nfs/dbraw/zinc/65/36/37/1071653637.db2.gz RYKNMHTWPUYMPE-KEBDBYFISA-N -2 0 722.273 5.456 40 10 KKCBRL Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1ccc(OC(=O)c2c(F)cccc2F)cc1 ZINC000409013788 1071677837 /nfs/dbraw/zinc/67/78/37/1071677837.db2.gz VNWCDCVOUOSSNF-UHFFFAOYSA-N -2 0 592.602 6.764 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408767029 1071717355 /nfs/dbraw/zinc/71/73/55/1071717355.db2.gz UYYSHCDHWMKJNV-VXLYETTFSA-N -2 0 644.272 5.472 40 10 KKCBRL O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4)C3=O)cc2I)cc1 ZINC000408772946 1071770600 /nfs/dbraw/zinc/77/06/00/1071770600.db2.gz NQVIEAIGSWWMCH-VXLYETTFSA-N -2 0 618.836 5.053 40 10 KKCBRL O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2I)cc1 ZINC000408781763 1071815714 /nfs/dbraw/zinc/81/57/14/1071815714.db2.gz FPUOSXVOOOJMLD-CCVNUDIWSA-N -2 0 702.545 6.703 40 10 KKCBRL O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4Cl)C3=O)o2)cc1Cl ZINC000408779061 1071832060 /nfs/dbraw/zinc/83/20/60/1071832060.db2.gz QBRPTJXIUCDUDC-NTEUORMPSA-N -2 0 505.697 5.271 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409066771 1072001643 /nfs/dbraw/zinc/00/16/43/1072001643.db2.gz CMNFVWJCJVBREU-GIJQJNRQSA-N -2 0 681.266 5.940 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000409063382 1072021631 /nfs/dbraw/zinc/02/16/31/1072021631.db2.gz BAECYDOXDXOILF-DJKKODMXSA-N -2 0 634.664 5.809 40 10 KKCBRL O=C([O-])c1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000409074764 1072066926 /nfs/dbraw/zinc/06/69/26/1072066926.db2.gz RIIZWPTUWUZRAE-VCHYOVAHSA-N -2 0 545.762 5.590 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409073923 1072072074 /nfs/dbraw/zinc/07/20/74/1072072074.db2.gz OCAQPPSSESIGEQ-WOJGMQOQSA-N -2 0 599.821 5.445 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409072241 1072084008 /nfs/dbraw/zinc/08/40/08/1072084008.db2.gz UPABQLCJNFPYLR-YBFXNURJSA-N -2 0 660.848 5.595 40 10 KKCBRL O=C([O-])c1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000409069416 1072102126 /nfs/dbraw/zinc/10/21/26/1072102126.db2.gz CVLIUSAWBSPHQA-WPWMEQJKSA-N -2 0 582.996 5.863 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409069546 1072103663 /nfs/dbraw/zinc/10/36/63/1072103663.db2.gz LLFMBZATTUVLBS-WOJGMQOQSA-N -2 0 555.370 5.336 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409068496 1072111782 /nfs/dbraw/zinc/11/17/82/1072111782.db2.gz GOXQHNVMIXOPJV-DJKKODMXSA-N -2 0 599.821 5.363 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409068716 1072108729 /nfs/dbraw/zinc/10/87/29/1072108729.db2.gz UWHPIFXSNPRJOV-KEBDBYFISA-N -2 0 660.848 5.595 40 10 KKCBRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=S)N(c4ccc(Br)cc4)C3=O)o2)c1 ZINC000409335373 1072339959 /nfs/dbraw/zinc/33/99/59/1072339959.db2.gz ZIOHAKAYDIHIRG-VCHYOVAHSA-N -2 0 530.377 5.511 40 10 KKCBRL CCCCCCOc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[n-]n(-c3ccccc3)c2=O)cc1OCC ZINC000409333445 1072353800 /nfs/dbraw/zinc/35/38/00/1072353800.db2.gz HCWSWWJWFYFHNH-UHFFFAOYSA-N -2 0 580.729 7.624 40 10 KKCBRL CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)cc1OC ZINC000409124651 1072464838 /nfs/dbraw/zinc/46/48/38/1072464838.db2.gz KAOJCXBBINBKJO-SRZZPIQSSA-N -2 0 702.352 5.948 40 10 KKCBRL CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)cc1OC ZINC000409139455 1072565134 /nfs/dbraw/zinc/56/51/34/1072565134.db2.gz AXAUPAGDQYOMCY-LPYMAVHISA-N -2 0 623.456 5.186 40 10 KKCBRL O=C([O-])c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000409194959 1072840653 /nfs/dbraw/zinc/84/06/53/1072840653.db2.gz RKTISEQDFZTEOF-UDWIEESQSA-N -2 0 550.423 5.526 40 10 KKCBRL CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)C2=O)cc1OCC ZINC000409191496 1072861896 /nfs/dbraw/zinc/86/18/96/1072861896.db2.gz XLAZYISKCBXUIJ-WSDLNYQXSA-N -2 0 627.477 6.120 40 10 KKCBRL CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1OCC ZINC000409191269 1072863931 /nfs/dbraw/zinc/86/39/31/1072863931.db2.gz FUHVZFLOVIBHCP-LFVJCYFKSA-N -2 0 637.483 5.576 40 10 KKCBRL Cc1cc(Nc2nc(Cl)nc(Cl)n2)ccc1/N=N/c1cc2c(cccc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1 ZINC000004773926 1073201638 /nfs/dbraw/zinc/20/16/38/1073201638.db2.gz FFUPTYQEWMUQFD-BYYHNAKLSA-N -2 0 569.408 5.292 40 10 KKCBRL COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)C(=O)[O-])o2)c1 ZINC000408634230 195479531 /nfs/dbraw/zinc/47/95/31/195479531.db2.gz SJTLUWHZJIFQLN-UUYOSTAYSA-N -2 0 521.551 5.077 40 10 KKCBRL Nc1ccc(S(=O)(=O)[O-])c2c1C(=O)C(=NNc1ccc(-c3ccc(NN=C4C=Cc5c(S(=O)(=O)[O-])ccc(N)c5C4=O)cc3)cc1)C=C2 ZINC000004235244 552451241 /nfs/dbraw/zinc/45/12/41/552451241.db2.gz XSQXXOQRYKEKQE-ATXIYDNESA-N -2 0 684.712 7.560 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(N)cc2)ccc1N=Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc(Cl)c(S(=O)(=O)[O-])c1)c2O ZINC000004523171 552462868 /nfs/dbraw/zinc/46/28/68/552462868.db2.gz IVGQIOQQLWMTMG-VHJMTFITSA-N -2 0 695.135 7.666 40 10 KKCBRL NC1=CC=C2C(=O)C=C(S(=O)(=O)[O-])C=C2C1=NNc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000004707587 552472282 /nfs/dbraw/zinc/47/22/82/552472282.db2.gz FAVWUHVDBDLERC-JQRDNDPDSA-N -2 0 527.540 5.452 40 10 KKCBRL CC(=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1c(=O)n(-c2ccccc2)[n-]c1-c1ccccc1 ZINC000020288343 553633387 /nfs/dbraw/zinc/63/33/87/553633387.db2.gz CBHJSOAZKKYYAX-QOMWVZHYSA-N -2 0 509.591 5.019 40 10 KKCBRL Cc1ccc(S(=O)(=O)Oc2ccc(/N=N/c3ccc(-c4ccc(/N=N\c5c(N)c(S(=O)(=O)[O-])cc6cc(S(=O)(=O)[O-])ccc65)cc4)cc3)cc2)cc1 ZINC000095742398 553711836 /nfs/dbraw/zinc/71/18/36/553711836.db2.gz KZKGWVLEJATMQM-ONGLXRPXSA-N -2 0 757.828 8.489 40 10 KKCBRL Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=Nc1ccc(C(c2ccccc2)c2ccc(N=Nc3c(C)[n-]n(-c4ccc(S(=O)(=O)[O-])cc4)c3=O)cc2)cc1 ZINC000097950099 553803455 /nfs/dbraw/zinc/80/34/55/553803455.db2.gz NKVJEGDPCFUFKN-GKZICYEVSA-N -4 0 804.867 7.110 40 10 KKCBRL COc1cc2c(c(O)c1OC/C=C(\C)CC/C=C(/C)CCC=C(C)C)CN([C@H](CCC(=O)[O-])C(=O)[O-])C2=O ZINC000031161407 553861205 /nfs/dbraw/zinc/86/12/05/553861205.db2.gz XVPVYSHSGBUSAR-JLOYWVHKSA-N -2 0 529.630 5.473 40 10 biogenic,in-vitro KKCBRL O=C1c2ccccc2C(S(=O)(=O)[O-])=CC1=NNc1ccc(C=Cc2ccc(NN=C3C=C(S(=O)(=O)[O-])c4ccccc4C3=O)cc2)cc1 ZINC000033352883 553922523 /nfs/dbraw/zinc/92/25/23/553922523.db2.gz PKVSEPIQEUYPDR-UKSLMBDPSA-N -2 0 680.720 8.899 40 10 KKCBRL CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccccc4C(=O)[O-])c3C)C2=O)c1 ZINC000059104363 554379658 /nfs/dbraw/zinc/37/96/58/554379658.db2.gz YYPSIBVHXGYAKR-KGENOOAVSA-N -2 0 517.538 5.096 40 10 KKCBRL Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC000100524961 554409854 /nfs/dbraw/zinc/40/98/54/554409854.db2.gz QEVFVQXTUSJJOR-ZPKNHPDFSA-N -2 0 570.450 5.848 40 10 KKCBRL Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC000100524956 554409862 /nfs/dbraw/zinc/40/98/62/554409862.db2.gz QEVFVQXTUSJJOR-CWHMERMBSA-N -2 0 570.450 5.848 40 10 KKCBRL O=C([O-])c1cc(C(=O)[O-])cc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)SC2=S)c1 ZINC000101099577 554586377 /nfs/dbraw/zinc/58/63/77/554586377.db2.gz XICIKXCRPUIZBQ-ZDLGFXPLSA-N -2 0 530.377 5.511 40 10 KKCBRL O=C([O-])c1cccc(N2N=C(c3ccccc3)C(=Cc3c(=O)n(-c4cccc(C(=O)[O-])c4)[n-]c3-c3ccccc3)C2=O)c1 ZINC000101601966 554804228 /nfs/dbraw/zinc/80/42/28/554804228.db2.gz QDZVDPOKKBTNTP-DIBXZPPDSA-N -3 0 570.561 5.476 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000103793176 555481527 /nfs/dbraw/zinc/48/15/27/555481527.db2.gz TVQMNDFNQKUEQW-VCHYOVAHSA-N -2 0 557.411 5.111 40 10 KKCBRL Cc1[n-]n(C(=O)CC(=O)Nc2ccc(C)cc2)c(=O)c1N=Nc1ccc(S(=O)(=O)c2ccc(N=Nc3c(C)[n-]n(C(=O)CC(=O)Nc4ccc(C)cc4)c3=O)cc2)cc1 ZINC000150448583 562843422 /nfs/dbraw/zinc/84/34/22/562843422.db2.gz VXIOZNKRTFJDBO-VWSKUCKHSA-N -2 0 816.857 5.588 40 10 KKCBRL CCO[P@](=O)([O-])[C@H](Nc1ccc(/N=N/c2ccccc2)cc1)c1cccc([C@@H](Nc2ccc(/N=N/c3ccccc3)cc2)[P@@](=O)([O-])OCC)c1 ZINC000150448704 562843462 /nfs/dbraw/zinc/84/34/62/562843462.db2.gz JFMIEKLEKYPQNC-OMLFTCRWSA-N -2 0 712.684 11.183 40 10 KKCBRL O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Br)c([O-])c(Br)c1 ZINC000103843721 571362823 /nfs/dbraw/zinc/36/28/23/571362823.db2.gz HKTVKXPUBHPNCS-DNTJNYDQSA-N -2 0 600.307 6.051 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4F)C3=O)cc2Cl)cc1 ZINC000103851841 571365185 /nfs/dbraw/zinc/36/51/85/571365185.db2.gz OJWSOKCZMUGZAV-CXUHLZMHSA-N -2 0 545.375 5.241 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000103866571 571368076 /nfs/dbraw/zinc/36/80/76/571368076.db2.gz SCKXFEWXIVUTPV-CAOOACKPSA-N -2 0 532.767 5.419 40 10 KKCBRL CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1 ZINC000103919113 571369581 /nfs/dbraw/zinc/36/95/81/571369581.db2.gz XIVDEVYTQPJQNW-QJOMJCCJSA-N -2 0 547.666 5.084 40 10 KKCBRL O=c1ccc(=NNc2ccc(S(=O)(=O)[O-])c3ccccc23)c(=O)c1=NNc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC000104045327 571371646 /nfs/dbraw/zinc/37/16/46/571371646.db2.gz FNPVZVCEDZMLGA-SWGBCSPSSA-N -2 0 578.584 6.728 40 10 KKCBRL O=C([O-])c1cc(OC(=O)Oc2ccc(/N=N\c3ccccc3)c(C(=O)[O-])c2)ccc1/N=N\c1ccccc1 ZINC000104085213 571372956 /nfs/dbraw/zinc/37/29/56/571372956.db2.gz NTVYSWOBWJLZBN-BRMDCIMDSA-N -2 0 510.462 7.492 40 10 KKCBRL COc1cc(N=Nc2cccc(S(=O)(=O)[O-])c2)ccc1NC(=O)Nc1ccc(NN=C2C=CC(=O)C(C(=O)[O-])=C2)cc1 ZINC000104323928 571379104 /nfs/dbraw/zinc/37/91/04/571379104.db2.gz QLPXEVTZQMICLN-DPNLOZQFSA-N -2 0 590.574 6.821 40 10 KKCBRL Cc1c(N=Nc2cc(N=Nc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)c(N)cc2N)cccc1S(=O)(=O)[O-] ZINC000104337925 571379356 /nfs/dbraw/zinc/37/93/56/571379356.db2.gz BFOIOBIKWZUYAS-NNIPLIGFSA-N -2 0 574.579 7.056 40 10 KKCBRL Nc1c(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc(S(=O)(=O)[O-])c2c1C(=O)C(=NNc1ccc([N+](=O)[O-])cc1)C=C2 ZINC000104370051 571379652 /nfs/dbraw/zinc/37/96/52/571379652.db2.gz DXTNAPUMANMBMM-KEWZEWDVSA-N -2 0 572.537 5.360 40 10 KKCBRL COc1cc(N=Nc2ccc(S(=O)(=O)[O-])cc2)ccc1N=Nc1c(O)c2ccccc2cc1S(=O)(=O)[O-] ZINC000104389083 571379922 /nfs/dbraw/zinc/37/99/22/571379922.db2.gz AVECTOQUNREBSH-OUYNTLDRSA-N -2 0 542.551 5.878 40 10 KKCBRL O=C1C=C([O-])C=CC1=NNc1ccc(C=Cc2ccc(NN=C3C=CC([O-])=CC3=O)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1 ZINC000104389511 571380033 /nfs/dbraw/zinc/38/00/33/571380033.db2.gz GLVLQKSQNZQNGF-BLTPOFBISA-N -4 0 612.598 6.004 40 10 KKCBRL COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccc5ccccc5c4S(=O)(=O)[O-])c3=O)n2)cc1 ZINC000105570808 571407688 /nfs/dbraw/zinc/40/76/88/571407688.db2.gz ILJNDTJGOZJODK-CWHMERMBSA-N -2 0 521.580 5.094 40 10 KKCBRL COc1cc(N=Nc2c(C)cc(C)cc2S(=O)(=O)[O-])c(C)cc1N=Nc1c(O)c2ccc(Nc3ccccc3)cc2cc1S(=O)(=O)[O-] ZINC000150347470 571460860 /nfs/dbraw/zinc/46/08/60/571460860.db2.gz XRCOXKGRXOPBFA-XVIRNCMOSA-N -2 0 675.745 8.547 40 10 KKCBRL O=C(Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc1)C2=O)c1ccccc1 ZINC000150364509 571464480 /nfs/dbraw/zinc/46/44/80/571464480.db2.gz IGXZMQCLUNTWCC-NELHQWCOSA-N -2 0 631.648 7.122 40 10 KKCBRL COc1cc(/N=N/c2ccc(/N=N/c3ccc4cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4c3)c(C)c2)c(C)cc1NC(=O)c1ccc(NC(=O)c2ccc(N)cc2)cc1 ZINC000150366781 571464877 /nfs/dbraw/zinc/46/48/77/571464877.db2.gz XGVKTMKQXKPGMN-ZDCXGXRMSA-N -2 0 807.867 8.876 40 10 KKCBRL Nc1ccc2c(c1)C(=O)C(=NNc1ccc(-c3ccc(NN=C4C(=O)c5c(N)cc(S(=O)(=O)[O-])cc5C=C4S(=O)(=O)[O-])cc3)cc1)C(S(=O)(=O)[O-])=C2 ZINC000150366657 571464881 /nfs/dbraw/zinc/46/48/81/571464881.db2.gz JDKKCKKFTIMFFD-IECPAEGSSA-N -3 0 764.776 6.807 40 10 KKCBRL Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(-c2ccc(N=Nc3c(Nc4ccccc4)ccc4cc(S(=O)(=O)[O-])cc(O)c43)cc2)cc1 ZINC000150366763 571464884 /nfs/dbraw/zinc/46/48/84/571464884.db2.gz NSBAFKVLNXVWEI-CNODSYGASA-N -2 0 695.761 10.233 40 10 KKCBRL Cc1cc(N=Nc2ccc(C(=O)Nc3ccc4cc(S(=O)(=O)[O-])ccc4c3)cc2)c(N)c(N=Nc2ccc(NN=C3C=CC(=O)C(C(=O)[O-])=C3)cc2)c1N ZINC000150367706 571465111 /nfs/dbraw/zinc/46/51/11/571465111.db2.gz CXFPVIYCRWPLIW-VHEITGKDSA-N -2 0 743.762 9.462 40 10 KKCBRL COc1cc(/N=N\c2cc(C)c(/N=N\c3cc(S(=O)(=O)[O-])ccc3S(=O)(=O)[O-])cc2OC)c(C)cc1/N=N/c1ccc(NC(=O)c2ccc(N)cc2)cc1C ZINC000150367953 571465172 /nfs/dbraw/zinc/46/51/72/571465172.db2.gz FIUUHSFSIWXQLE-BCZFGUEVSA-N -2 0 786.849 9.203 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(-c3ccc(S(=O)(=O)[O-])cc3)cc2)c1N ZINC000150367959 571465176 /nfs/dbraw/zinc/46/51/76/571465176.db2.gz POAYBMRAYZGIAQ-OXAGQTEZSA-N -2 0 726.775 10.390 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(N)cc2)ccc1/N=N/c1ccc(/N=N\c2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc([O-])c32)c2ccccc12 ZINC000150368102 571465233 /nfs/dbraw/zinc/46/52/33/571465233.db2.gz KWKWHGVUTWRHDN-ONGLXRPXSA-N -2 0 710.750 8.166 40 10 KKCBRL COc1cc(/N=N/c2ccc(/N=N/c3cc(S(=O)(=O)[O-])ccc3S(=O)(=O)[O-])c(C)c2)c(C)cc1/N=N\c1cc(OC)c(NC(=O)c2ccc(N)cc2)cc1C ZINC000150368200 571465296 /nfs/dbraw/zinc/46/52/96/571465296.db2.gz PNYGUBLKHQGGBV-CQBRCPPMSA-N -2 0 786.849 9.203 40 10 KKCBRL Cc1cc(-c2ccc(NN=C3C(=O)c4c(O)cc(S(=O)(=O)[O-])cc4C=C3S(=O)(=O)[O-])c(C)c2)ccc1NN=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O ZINC000150386624 571469335 /nfs/dbraw/zinc/46/93/35/571469335.db2.gz VKYPCMAKLFPTTC-JXPYRENWSA-N -3 0 778.799 7.965 40 10 KKCBRL Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccc(-c3ccc(NN=C4C=CC(=O)C=C4)cc3)cc1)C(S(=O)(=O)[O-])=C2 ZINC000150386558 571469368 /nfs/dbraw/zinc/46/93/68/571469368.db2.gz STOOUUMSJPLRNI-LPITVXLWSA-N -2 0 768.746 9.148 40 10 KKCBRL Cc1cc(/N=N/c2cc(S(=O)(=O)[O-])c3ccccc3c2N)ccc1-c1ccc(/N=N\c2cc(S(=O)(=O)[O-])c3ccccc3c2N)cc1C ZINC000150386623 571469442 /nfs/dbraw/zinc/46/94/42/571469442.db2.gz UVHHADIQQIICAV-NGHPONOGSA-N -2 0 680.768 8.765 40 10 KKCBRL Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=Nc1ccc(-c2ccc(NN=C3C=CC(=O)C(C(=O)[O-])=C3)c(C)c2)cc1C ZINC000150396800 571476649 /nfs/dbraw/zinc/47/66/49/571476649.db2.gz MKPMKGJHFHXYGK-PATFISCFSA-N -3 0 626.651 6.911 40 10 KKCBRL Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=Nc1ccc(-c2ccc(NN=C3C=CC(=O)C(C(=O)[O-])=C3)c(C)c2)cc1C ZINC000150397223 571476817 /nfs/dbraw/zinc/47/68/17/571476817.db2.gz FLGGPQAQNMECGO-NCTHRFBRSA-N -3 0 626.651 7.651 40 10 KKCBRL Cc1c(NN=c2c(=O)c3c(=O)c(=NNc4c(C)n(C)n(-c5ccccc5)c4=O)c(S(=O)(=O)[O-])cc=3cc2S(=O)(=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000150406069 571479517 /nfs/dbraw/zinc/47/95/17/571479517.db2.gz SZVOKPKIXYMQHL-SGRXOXICSA-N -2 0 748.756 5.171 40 10 KKCBRL Cc1[n-]n(C(=O)CC(=O)Nc2cccc(Cl)c2)c(=O)c1N=Nc1ccc(S(=O)(=O)c2ccc(N=Nc3c(C)[n-]n(C(=O)CC(=O)Nc4cccc(Cl)c4)c3=O)cc2)cc1 ZINC000150448526 571501506 /nfs/dbraw/zinc/50/15/06/571501506.db2.gz WNXIJIPKGDMBAN-VLCUIAGRSA-N -2 0 857.693 6.278 40 10 KKCBRL Cc1cc(-c2ccc(/N=N\c3c(N)ccc4cc(S(=O)(=O)[O-])ccc43)c(C)c2)ccc1/N=N/c1c(N)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])ccc21 ZINC000150454434 571503985 /nfs/dbraw/zinc/50/39/85/571503985.db2.gz OFGVQLJUXSRVEG-NGHPONOGSA-N -3 0 760.832 8.012 40 10 KKCBRL O=C([O-])C1=Cc2ccccc2C(=NNc2ccc(C=Cc3ccc(NN=C4C(=O)C(C(=O)[O-])=Cc5ccccc54)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)C1=O ZINC000150468366 571508498 /nfs/dbraw/zinc/50/84/98/571508498.db2.gz BDXUBDHCCBUMEP-BPPXTLIOSA-N -4 0 768.738 8.295 40 10 KKCBRL O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3cc([N+](=O)[O-])ccc3[O-])C2=O)SC1=S)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000150470012 571509069 /nfs/dbraw/zinc/50/90/69/571509069.db2.gz PBBYLWFWSHSCKT-OCEACIFDSA-N -2 0 762.870 5.544 40 10 KKCBRL Nc1cccc(C(=O)Nc2ccc3c(c2)C=C(S(=O)(=O)[O-])C(=NNc2ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc2)C3=O)c1 ZINC000150476864 571511059 /nfs/dbraw/zinc/51/10/59/571511059.db2.gz VZJYJZHUIYBXJP-ATKLANMESA-N -2 0 646.663 6.704 40 10 KKCBRL Nc1cc(N)c(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1N=Nc1ccc(-c2ccc(NN=C3C=CC(=O)C(C(=O)[O-])=C3)cc2)cc1 ZINC000150478932 571511652 /nfs/dbraw/zinc/51/16/52/571511652.db2.gz ZPTZVNALDNIANP-TZZRDCEZSA-N -2 0 636.650 8.415 40 10 KKCBRL Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(NN=C3C=CC(=C4C=CC(=O)C=C4)C=C3)c(O)c12 ZINC000150485095 571515576 /nfs/dbraw/zinc/51/55/76/571515576.db2.gz RGYWIKUGSVUCPT-QTDLIUEZSA-N -2 0 664.634 6.733 40 10 KKCBRL Nc1ccc2c(c1N=Nc1ccc([N+](=O)[O-])cc1)C=C(S(=O)(=O)[O-])C(=NNc1ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc1)C2=O ZINC000150485104 571515630 /nfs/dbraw/zinc/51/56/30/571515630.db2.gz FEJRNHKKXMBBIF-ZGBDNPJVSA-N -2 0 676.649 7.775 40 10 KKCBRL COc1cc(N=Nc2ccc(-c3ccc(N=Nc4c(N)c5c(cc4S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C(=NNc4ccccc4)C5=O)cc3)cc2)c(C)cc1N ZINC000150485184 571515794 /nfs/dbraw/zinc/51/57/94/571515794.db2.gz IUOAZLCHXMJGSD-VBISHPDDSA-N -2 0 766.818 9.433 40 10 KKCBRL Cc1cc(N=Nc2ccc(Sc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(S(=O)(=O)[O-])c3ccccc23)c1N ZINC000150485525 571515959 /nfs/dbraw/zinc/51/59/59/571515959.db2.gz NCUJGFYVGLZOIW-NWPMKAQMSA-N -2 0 732.804 10.361 40 10 KKCBRL Cc1cc(/N=N/c2ccc(NC(=O)c3ccccc3)c3ccc(S(=O)(=O)[O-])cc23)ccc1/N=N\c1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1 ZINC000150485456 571515960 /nfs/dbraw/zinc/51/59/60/571515960.db2.gz AAUIDNOFUYJNFP-IOJRRVTCSA-N -2 0 695.735 8.584 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(NC(=O)c3ccc(N)cc3)cc2)ccc1N=Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccc3cc(S(=O)(=O)[O-])ccc3c1)C2=O ZINC000150485662 571516111 /nfs/dbraw/zinc/51/61/11/571516111.db2.gz IVIZYDSICQSNIS-JLFLTYEOSA-N -2 0 829.873 9.418 40 10 KKCBRL Nc1ccc2cc(S(=O)(=O)[O-])cc(O)c2c1/N=N\c1ccc(-c2ccc(/N=N\c3cc(S(=O)(=O)[O-])c4ccccc4c3N)cc2)cc1 ZINC000150552416 571520789 /nfs/dbraw/zinc/52/07/89/571520789.db2.gz KXXRNNGEMNIAFA-JXPYRENWSA-N -2 0 668.713 7.854 40 10 KKCBRL Nc1ccc2cc(S(=O)(=O)[O-])cc(O)c2c1/N=N\c1ccc(-c2ccc(/N=N/c3cc(S(=O)(=O)[O-])c4ccccc4c3N)cc2)cc1 ZINC000150552422 571520800 /nfs/dbraw/zinc/52/08/00/571520800.db2.gz KXXRNNGEMNIAFA-IECPAEGSSA-N -2 0 668.713 7.854 40 10 KKCBRL Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccc(NN=C3C(=O)c4ccc(NN=C5C=CC(=O)C=C5)cc4C=C3S(=O)(=O)[O-])cc1)C2=O ZINC000150587646 571521972 /nfs/dbraw/zinc/52/19/72/571521972.db2.gz LSFAVYFZVALMBH-YATLTFAKSA-N -2 0 713.710 8.432 40 10 KKCBRL Cc1cc(S(=O)(=O)[O-])c(N)c(/N=N/c2ccc(-c3ccc(/N=N\c4c(N)c(C)cc(S(=O)(=O)[O-])c4N)c(C)c3)cc2C)c1N ZINC000150593067 571522182 /nfs/dbraw/zinc/52/21/82/571522182.db2.gz FPRRTQFUCIKTDQ-FFROBNHHSA-N -2 0 638.732 6.240 40 10 KKCBRL Cc1cc(-c2cc(C)c(NN=C3C(=O)C=Cc4ccccc43)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])cc1NN=C1C(=O)C=Cc2ccccc21 ZINC000150622442 571523541 /nfs/dbraw/zinc/52/35/41/571523541.db2.gz FXFZHRKQNSIMHN-ATXIYDNESA-N -2 0 682.736 9.012 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2I)cc1 ZINC000164374817 571546547 /nfs/dbraw/zinc/54/65/47/571546547.db2.gz DICNLPJIQNCEMD-GIJQJNRQSA-N -2 0 665.209 5.136 40 10 KKCBRL O=[N+]([O-])c1ccc(/C=C/c2ccc(N=Nc3ccc(/C=C/c4ccc([N+](=O)[O-])cc4S(=O)(=O)[O-])c(S(=O)(=O)[O-])c3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1 ZINC000263609344 572130308 /nfs/dbraw/zinc/13/03/08/572130308.db2.gz UYTCJBFOLUYGBH-ZSFFHVPQSA-N -4 0 796.748 5.246 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408817508 1069974718 /nfs/dbraw/zinc/97/47/18/1069974718.db2.gz LSUYDSSWLQNHLJ-DJKKODMXSA-N -2 0 558.841 5.040 40 10 KKCBRL O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Br)c1 ZINC000408902026 1070171594 /nfs/dbraw/zinc/17/15/94/1070171594.db2.gz DSLJCSMWJDOOLV-YBFXNURJSA-N -2 0 600.219 5.155 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408934167 1070268552 /nfs/dbraw/zinc/26/85/52/1070268552.db2.gz CRWWTCZLZFFPSN-RGVLZGJSSA-N -2 0 646.821 5.287 40 10 KKCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(Br)cc3)C2=O)cc1 ZINC000408934461 1070269679 /nfs/dbraw/zinc/26/96/79/1070269679.db2.gz AWUCFAIVGSOUQY-UDWIEESQSA-N -2 0 555.768 5.046 40 10 KKCBRL Cc1cccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)[N-]C2=S)c1C ZINC000409003266 1070384615 /nfs/dbraw/zinc/38/46/15/1070384615.db2.gz YYLSSBHCEJGHDX-VXLYETTFSA-N -2 0 738.341 5.621 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000408900764 1070930034 /nfs/dbraw/zinc/93/00/34/1070930034.db2.gz URDHTKAUFWOGHO-WSDLNYQXSA-N -2 0 593.430 5.408 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000408911977 1071058284 /nfs/dbraw/zinc/05/82/84/1071058284.db2.gz PFLMSKHVAXJLHA-VCHYOVAHSA-N -2 0 512.349 5.074 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408936014 1071215956 /nfs/dbraw/zinc/21/59/56/1071215956.db2.gz FLWGSEJEDXEYFX-QGMBQPNBSA-N -2 0 667.239 5.550 40 10 KKCBRL COc1cc(N=Nc2cccc(S(=O)(=O)[O-])c2)ccc1NC(=O)Nc1ccc(NN=C2C=CC(=O)C(C(=O)[O-])=C2)cc1 ZINC000263606070 1071225456 /nfs/dbraw/zinc/22/54/56/1071225456.db2.gz QLPXEVTZQMICLN-UHFFFAOYSA-N -2 0 590.574 6.821 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408944801 1071283689 /nfs/dbraw/zinc/28/36/89/1071283689.db2.gz VIHINPFTQVDWGL-WSDLNYQXSA-N -2 0 593.430 5.408 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000408952530 1071345189 /nfs/dbraw/zinc/34/51/89/1071345189.db2.gz OFBODNYSQJNFCH-IPPBACCNSA-N -2 0 746.598 7.101 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)cc1OCC(=O)[O-] ZINC000408951910 1071348214 /nfs/dbraw/zinc/34/82/14/1071348214.db2.gz MVYFMPPXWVAFCO-AUEPDCJTSA-N -2 0 623.500 5.445 40 10 KKCBRL O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])cc(I)c1[O-] ZINC000408947392 1071371141 /nfs/dbraw/zinc/37/11/41/1071371141.db2.gz CIKNJHCJVITKRN-ZVBGSRNCSA-N -2 0 613.408 5.039 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408955386 1071383403 /nfs/dbraw/zinc/38/34/03/1071383403.db2.gz UIJDSDRHIPTSOF-AUEPDCJTSA-N -2 0 623.500 5.445 40 10 KKCBRL Cc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)[N-]C2=S)c(C)c1 ZINC000408994123 1071559966 /nfs/dbraw/zinc/55/99/66/1071559966.db2.gz GHSJEXXDIUOVND-VXLYETTFSA-N -2 0 738.341 5.621 40 10 KKCBRL CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C1=O ZINC000409003272 1071638069 /nfs/dbraw/zinc/63/80/69/1071638069.db2.gz ZBJZFVJAALKYLB-YBFXNURJSA-N -2 0 722.273 5.402 40 10 KKCBRL Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2=O)ccc1Br ZINC000408759840 1071699824 /nfs/dbraw/zinc/69/98/24/1071699824.db2.gz MRDCCPINXQIHJC-YBEGLDIGSA-N -2 0 529.730 5.036 40 10 KKCBRL Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1ccc(OCc2ccccc2C)cc1 ZINC000409025045 1071709456 /nfs/dbraw/zinc/70/94/56/1071709456.db2.gz KRLZMCQJQZTBOW-UHFFFAOYSA-N -2 0 556.666 7.154 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000408771688 1071779477 /nfs/dbraw/zinc/77/94/77/1071779477.db2.gz AQTICNJUDNUTNY-RGVLZGJSSA-N -2 0 599.821 5.445 40 10 KKCBRL Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)cc1 ZINC000408771743 1071777912 /nfs/dbraw/zinc/77/79/12/1071777912.db2.gz CFDMOBWAGFPNFF-VXLYETTFSA-N -2 0 661.246 5.306 40 10 KKCBRL Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)[N-]C2=S)cc1C ZINC000408767810 1071805855 /nfs/dbraw/zinc/80/58/55/1071805855.db2.gz OTVBXIFSFPFDQW-CIAFOILYSA-N -2 0 612.445 5.017 40 10 KKCBRL O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)o2)cc1Cl ZINC000408783784 1071868053 /nfs/dbraw/zinc/86/80/53/1071868053.db2.gz RECFJFBFTXCITJ-UKTHLTGXSA-N -2 0 505.697 5.271 40 10 KKCBRL CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(OCC)c3)C2=O)cc1 ZINC000409064086 1072017502 /nfs/dbraw/zinc/01/75/02/1072017502.db2.gz BOSAQGLOECNEPR-LPYMAVHISA-N -2 0 609.429 5.190 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409075845 1072055756 /nfs/dbraw/zinc/05/57/56/1072055756.db2.gz USGDFSKKMLFITO-KEBDBYFISA-N -2 0 599.821 5.445 40 10 KKCBRL Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)C1=O ZINC000409069555 1072103671 /nfs/dbraw/zinc/10/36/71/1072103671.db2.gz LMSBOKWFEUHCHV-VXLYETTFSA-N -2 0 525.344 5.245 40 10 KKCBRL Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000409068433 1072111263 /nfs/dbraw/zinc/11/12/63/1072111263.db2.gz ANRYAPLIWQWWOS-VCHYOVAHSA-N -2 0 648.691 6.117 40 10 KKCBRL CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C2=O)cc1OC ZINC000409140527 1072558200 /nfs/dbraw/zinc/55/82/00/1072558200.db2.gz FGHOCRFJPJJXAN-WSDLNYQXSA-N -2 0 609.031 5.085 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409388866 1072734647 /nfs/dbraw/zinc/73/46/47/1072734647.db2.gz WWKCGRMITODSRP-LPYMAVHISA-N -2 0 609.498 5.519 40 10 KKCBRL CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409190402 1072870543 /nfs/dbraw/zinc/87/05/43/1072870543.db2.gz YKZFBQKVLTVJNO-PCLIKHOPSA-N -2 0 602.640 5.212 40 10 KKCBRL Nc1c(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C=C4)cc3)cc2)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(C=Cc3ccccc3)c(O)c12 ZINC000004235566 552451505 /nfs/dbraw/zinc/45/15/05/552451505.db2.gz QVKNZQPALPOHDK-BALBCCAZSA-N -2 0 721.773 8.995 40 10 KKCBRL Cc1ccc2nc(-c3ccc(NN=C4C=C(S(=O)(=O)[O-])c5ccccc5C4=O)cc3)sc2c1S(=O)(=O)[O-] ZINC000004429047 552460872 /nfs/dbraw/zinc/46/08/72/552460872.db2.gz NAXWWTPJXAIEJE-CYYJNZCTSA-N -2 0 555.615 6.039 40 10 endogenous,in-man KKCBRL O=C1C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccccc1C=Cc1nc2ccccc2[nH]1 ZINC000004701252 552471972 /nfs/dbraw/zinc/47/19/72/552471972.db2.gz DYGFYPFTTUXFLN-WKBQEHFWSA-N -2 0 550.574 5.501 40 10 KKCBRL Cc1cc(/N=N/c2ccc(NC(=O)c3ccc(N)cc3)cc2C)ccc1/N=N/c1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-] ZINC000016297434 553559563 /nfs/dbraw/zinc/55/95/63/553559563.db2.gz DHXXCADSLBHHQX-CJQWSLHQSA-N -2 0 608.658 6.462 40 10 KKCBRL Nc1ccc(/N=N/c2ccc(/C=C/c3ccc(/N=N\c4ccc(N)c5ccccc45)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)c2ccccc12 ZINC000077273368 553657561 /nfs/dbraw/zinc/65/75/61/553657561.db2.gz BEOHKTZPLVXCFG-SXUZXVSGSA-N -2 0 678.752 8.652 40 10 KKCBRL Nc1ccc2c(c1)C(=O)C(=NN=C1C=CC(=NNc3ccc(N)c4cc(S(=O)(=O)[O-])ccc34)c3ccccc31)C(S(=O)(=O)[O-])=C2 ZINC000095101028 553700135 /nfs/dbraw/zinc/70/01/35/553700135.db2.gz GKDDGAAABHSGRK-WXBFSDFVSA-N -2 0 642.675 7.340 40 10 KKCBRL CCOc1ccc(N=Nc2ccc(-c3ccc(NN=C4C(=O)C=Cc5cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c54)c(C)c3)cc2C)cc1 ZINC000095669664 553706726 /nfs/dbraw/zinc/70/67/26/553706726.db2.gz UPWKNFZOZGYCQR-WXBFSDFVSA-N -2 0 660.730 8.552 40 10 KKCBRL O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C5C6CC7CC(C6)CC5C7)cc4)C3=O)o2)c1 ZINC000100218231 554251223 /nfs/dbraw/zinc/25/12/23/554251223.db2.gz XWWAAYSNVCLOJM-MYYYXRDXSA-N -2 0 571.029 6.504 40 10 KKCBRL CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000059103765 554379034 /nfs/dbraw/zinc/37/90/34/554379034.db2.gz LZVQHVCNDGSHKF-WQRHYEAKSA-N -2 0 569.364 5.533 40 10 KKCBRL CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000059103769 554379107 /nfs/dbraw/zinc/37/91/07/554379107.db2.gz ZBFMTCJAUBTUTJ-ZDLGFXPLSA-N -2 0 555.337 5.225 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000103871084 571368259 /nfs/dbraw/zinc/36/82/59/571368259.db2.gz VDWWVIXBIBDWPY-XODNFHPESA-N -2 0 598.099 6.580 40 10 KKCBRL Cc1cc(S(=O)(=O)[O-])ccc1N=Nc1ccc(NN=C2C=C(S(=O)(=O)[O-])c3ccccc3C2=O)c(C)c1 ZINC000104177471 571376021 /nfs/dbraw/zinc/37/60/21/571376021.db2.gz YECHSGCFTMLMBX-COGCMUBNSA-N -2 0 540.579 6.486 40 10 KKCBRL O=C1C=Cc2ccccc2C1=NNC1=CC(S(=O)(=O)[O-])=CC(=NNc2c(O)ccc3cc(S(=O)(=O)[O-])ccc32)C1=O ZINC000104221746 571377199 /nfs/dbraw/zinc/37/71/99/571377199.db2.gz UNQKGOZAZKPDEY-ZUELCTOOSA-N -2 0 594.583 6.434 40 10 KKCBRL O=C1C=Cc2ccccc2C1=NNC1=CC(S(=O)(=O)[O-])=CC(=NNc2c(O)ccc3cc(S(=O)(=O)[O-])ccc32)C1=O ZINC000104221756 571377209 /nfs/dbraw/zinc/37/72/09/571377209.db2.gz UNQKGOZAZKPDEY-JOKXDOCYSA-N -2 0 594.583 6.434 40 10 KKCBRL Nc1ccc(S(=O)(=O)[O-])c2c1C(=O)C(=NNc1ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)c3ccccc13)C=C2 ZINC000104323895 571379116 /nfs/dbraw/zinc/37/91/16/571379116.db2.gz LTUMHABOUUZCLG-GILIAAGRSA-N -2 0 577.600 6.605 40 10 KKCBRL O=C1C=CC(=NNc2ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc2)c2c1cccc2S(=O)(=O)[O-] ZINC000104367000 571379566 /nfs/dbraw/zinc/37/95/66/571379566.db2.gz KRSNYIGWUHIMKB-RUFRKCMOSA-N -2 0 512.525 5.870 40 10 KKCBRL Cc1cc(N=Nc2ccc(N=Nc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)c(S(=O)(=O)[O-])c2C)c(N)cc1N ZINC000104367275 571379624 /nfs/dbraw/zinc/37/96/24/571379624.db2.gz VWFBJVZMOBJQJL-LUORZTGCSA-N -2 0 588.606 7.365 40 10 KKCBRL NC1=CC=C2C(=O)C=C(S(=O)(=O)[O-])C=C2C1=NNc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000104388992 571379856 /nfs/dbraw/zinc/37/98/56/571379856.db2.gz FAVWUHVDBDLERC-DYORGOFNSA-N -2 0 527.540 5.452 40 10 KKCBRL O=C1C=Cc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2C1=NNc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000104388979 571379887 /nfs/dbraw/zinc/37/98/87/571379887.db2.gz MKOJHJCFYCSSJX-HXEHWPEMSA-N -3 0 592.589 5.116 40 10 KKCBRL COc1cc(N=Nc2ccc(S(=O)(=O)[O-])cc2)ccc1NN=C1C(=O)C=Cc2cc(S(=O)(=O)[O-])ccc21 ZINC000104389068 571379924 /nfs/dbraw/zinc/37/99/24/571379924.db2.gz JJPGXAVPIMHUCQ-OUYNTLDRSA-N -2 0 542.551 5.878 40 10 KKCBRL COc1cc(N=Nc2c(C)cc(C)cc2S(=O)(=O)[O-])c(C)cc1N=Nc1c(O)c2ccc(Nc3ccccc3)cc2cc1S(=O)(=O)[O-] ZINC000150347468 571460888 /nfs/dbraw/zinc/46/08/88/571460888.db2.gz XRCOXKGRXOPBFA-IRBDSUPESA-N -2 0 675.745 8.547 40 10 KKCBRL COc1cc(N=Nc2c(C)cc(C)cc2S(=O)(=O)[O-])c(C)cc1N=Nc1c(O)c2ccc(Nc3ccccc3)cc2cc1S(=O)(=O)[O-] ZINC000150347472 571460928 /nfs/dbraw/zinc/46/09/28/571460928.db2.gz XRCOXKGRXOPBFA-QYQVJVQQSA-N -2 0 675.745 8.547 40 10 KKCBRL Nc1ccc2c(c1)C(=O)C(=NNc1ccc(-c3ccc(NN=C4C(=O)c5c(N)cc(S(=O)(=O)[O-])cc5C=C4S(=O)(=O)[O-])cc3)cc1)C(S(=O)(=O)[O-])=C2 ZINC000150366655 571464733 /nfs/dbraw/zinc/46/47/33/571464733.db2.gz JDKKCKKFTIMFFD-LYERXDRPSA-N -3 0 764.776 6.807 40 10 KKCBRL Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(-c2ccc(N=Nc3c(Nc4ccccc4)ccc4cc(S(=O)(=O)[O-])cc(O)c43)cc2)cc1 ZINC000150366769 571464843 /nfs/dbraw/zinc/46/48/43/571464843.db2.gz NSBAFKVLNXVWEI-IZRQRQPJSA-N -2 0 695.761 10.233 40 10 KKCBRL CC(=O)Nc1cc(/N=N\c2ccc(/N=N\c3ccc(NC(=O)c4ccc(N)cc4)cc3C)cc2C)c(S(=O)(=O)[O-])cc1/N=N\c1ccc(S(=O)(=O)[O-])cc1 ZINC000150367680 571465086 /nfs/dbraw/zinc/46/50/86/571465086.db2.gz MNQHYHFMPBGDLT-UURHSVLRSA-N -2 0 769.822 8.836 40 10 KKCBRL Cc1cc(C)c(N=Nc2c(O)c3ccc(N=Nc4ccc(NC(=O)c5ccc(N)cc5)cc4C)cc3cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1 ZINC000150367669 571465090 /nfs/dbraw/zinc/46/50/90/571465090.db2.gz FONSAFAAZUIRET-HSXOZYESSA-N -2 0 688.744 7.629 40 10 KKCBRL Cc1cc(N=Nc2ccc(C(=O)Nc3ccc4cc(S(=O)(=O)[O-])ccc4c3)cc2)c(N)c(N=Nc2ccc(NN=C3C=CC(=O)C(C(=O)[O-])=C3)cc2)c1N ZINC000150367704 571465130 /nfs/dbraw/zinc/46/51/30/571465130.db2.gz CXFPVIYCRWPLIW-VUSIKODGSA-N -2 0 743.762 9.462 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(N)cc2)ccc1/N=N\c1ccc(/N=N\c2ccc3c(O)cc(S(=O)(=O)[O-])cc3c2)c2cc(S(=O)(=O)[O-])ccc12 ZINC000150368116 571465160 /nfs/dbraw/zinc/46/51/60/571465160.db2.gz MGEUYNUIICICAX-YKSAKOAQSA-N -3 0 710.750 8.166 40 10 KKCBRL CN(C)C(=O)c1ccc(N=Nc2c(N)c(N=Nc3ccc(-c4ccc(NN=C5C=CC(=O)C(C(=O)[O-])=C5)cc4)cc3)cc(S(=O)(=O)[O-])c2N)cc1 ZINC000150368136 571465341 /nfs/dbraw/zinc/46/53/41/571465341.db2.gz JTCAWZZMHMZTFB-PNLJEYLRSA-N -2 0 707.729 8.117 40 10 KKCBRL Cc1[n-]n(C(=O)CC(=O)Nc2cccc(Cl)c2)c(=O)c1N=Nc1ccc(S(=O)(=O)c2ccc(N=Nc3c(C)[n-]n(C(=O)CC(=O)Nc4cccc(Cl)c4)c3=O)cc2)cc1 ZINC000150448512 571501543 /nfs/dbraw/zinc/50/15/43/571501543.db2.gz WNXIJIPKGDMBAN-JFKIDZJOSA-N -2 0 857.693 6.278 40 10 KKCBRL Cc1[n-]n(C(=O)CC(=O)Nc2ccccc2Cl)c(=O)c1N=Nc1ccc(S(=O)(=O)c2ccc(N=Nc3c(C)[n-]n(C(=O)CC(=O)Nc4ccccc4Cl)c3=O)cc2)cc1 ZINC000150448485 571501582 /nfs/dbraw/zinc/50/15/82/571501582.db2.gz GRDJGKGOFBCOEO-JFKIDZJOSA-N -2 0 857.693 6.278 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4Cl)C3=O)cc2Br)cc1 ZINC000150474310 571510550 /nfs/dbraw/zinc/51/05/50/571510550.db2.gz DNSKCHLLGHQQLY-OVCLIPMQSA-N -2 0 685.177 6.627 40 10 KKCBRL CCOc1cc(-c2ccc(NN=C3C(=O)c4cc(N)ccc4C=C3S(=O)(=O)[O-])cc2)ccc1N=Nc1c(O)c2cc(N)ccc2cc1S(=O)(=O)[O-] ZINC000150474848 571510663 /nfs/dbraw/zinc/51/06/63/571510663.db2.gz PTQVNAIKTPZSKK-YKSAKOAQSA-N -2 0 728.765 7.959 40 10 KKCBRL Cc1cc(/N=N/c2ccc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)c3ccc(S(=O)(=O)[O-])cc23)ccc1/N=N\c1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1 ZINC000150482862 571513507 /nfs/dbraw/zinc/51/35/07/571513507.db2.gz GVSVWYKBBAIBAQ-XYUAPRGESA-N -2 0 814.858 9.836 40 10 KKCBRL Nc1ccc2c(c1N=Nc1ccc([N+](=O)[O-])cc1)C=C(S(=O)(=O)[O-])C(=NNc1ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc1)C2=O ZINC000150485102 571515558 /nfs/dbraw/zinc/51/55/58/571515558.db2.gz FEJRNHKKXMBBIF-GJBJVMSASA-N -2 0 676.649 7.775 40 10 KKCBRL Nc1ccc2c(c1N=Nc1ccc([N+](=O)[O-])cc1)C=C(S(=O)(=O)[O-])C(=NNc1ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc1)C2=O ZINC000150485108 571515600 /nfs/dbraw/zinc/51/56/00/571515600.db2.gz FEJRNHKKXMBBIF-UYNHRVDASA-N -2 0 676.649 7.775 40 10 KKCBRL Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccc([N+](=O)[O-])cc1)C(S(=O)(=O)[O-])=C2 ZINC000150485058 571515615 /nfs/dbraw/zinc/51/56/15/571515615.db2.gz DLXYNWYHZXKBET-DSOYXUETSA-N -2 0 617.534 5.268 40 10 KKCBRL COc1cc(N=Nc2ccc(-c3ccc(N=Nc4c(N)c5c(cc4S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C(=NNc4ccccc4)C5=O)cc3)cc2)c(C)cc1N ZINC000150485183 571515737 /nfs/dbraw/zinc/51/57/37/571515737.db2.gz IUOAZLCHXMJGSD-XYCPQYAXSA-N -2 0 766.818 9.433 40 10 KKCBRL Cc1cc(/N=N/c2ccc(NC(=O)c3ccc(N)cc3)cc2C)ccc1/N=N/c1ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2c1 ZINC000150485409 571515753 /nfs/dbraw/zinc/51/57/53/571515753.db2.gz ZNQZPVZEOOADIY-VHJMTFITSA-N -2 0 658.718 7.615 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(NN=C5C=CC(=O)C(C(=O)[O-])=C5)cc4)cc3)cc2)C=CC1=O ZINC000150485154 571515778 /nfs/dbraw/zinc/51/57/78/571515778.db2.gz FBSGSMMZWWYKMW-HVMBLDELSA-N -2 0 644.600 7.830 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(Nc3ccccc3)c(S(=O)(=O)[O-])c2)c1N ZINC000150485562 571515900 /nfs/dbraw/zinc/51/59/00/571515900.db2.gz GZJRODUHRHKKFX-CCXDPBQVSA-N -2 0 741.790 10.467 40 10 KKCBRL O=C(Nc1ccc2cc(N=Nc3ccccc3)c(S(=O)(=O)[O-])cc2c1)Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc3cc(S(=O)(=O)[O-])ccc3c1)c2O ZINC000150629640 571523816 /nfs/dbraw/zinc/52/38/16/571523816.db2.gz VZXOULZAUPQVKM-CNODSYGASA-N -3 0 826.847 9.067 40 10 KKCBRL CCOc1cc(N=Nc2ccc(N)c(OC)c2)c2cc(S(=O)(=O)[O-])ccc2c1NN=C1C(=O)C=Cc2cc(S(=O)(=O)[O-])ccc21 ZINC000150629539 571523888 /nfs/dbraw/zinc/52/38/88/571523888.db2.gz OFEWTTHURUAVAY-DRCJXRCRSA-N -2 0 651.679 7.012 40 10 KKCBRL CC(=O)Nc1ccc(N=Nc2cc3c(O)cc(NC(=O)Nc4ccc5c(c4)C=C(S(=O)(=O)[O-])C(=NNc4ccccc4)C5=O)cc3cc2S(=O)(=O)[O-])cc1 ZINC000159751549 571530527 /nfs/dbraw/zinc/53/05/27/571530527.db2.gz JUZHUDZDLLHLEO-FSVNFQGMSA-N -2 0 769.774 8.331 40 10 KKCBRL O=C([O-])COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1I ZINC000164340394 571546131 /nfs/dbraw/zinc/54/61/31/571546131.db2.gz TWIGSXCUXDGPRQ-ODCIPOBUSA-N -2 0 705.343 5.651 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000164471092 571548726 /nfs/dbraw/zinc/54/87/26/571548726.db2.gz ATUQOCYBEXWDJS-RGVLZGJSSA-N -2 0 644.272 5.554 40 10 KKCBRL O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Br)c4)C3=O)cc2I)cc1 ZINC000164477694 571548902 /nfs/dbraw/zinc/54/89/02/571548902.db2.gz DQIBBZNKJUZLOI-QGMBQPNBSA-N -2 0 773.115 5.602 40 10 KKCBRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)o2)c1 ZINC000214389557 571578873 /nfs/dbraw/zinc/57/88/73/571578873.db2.gz YXGDGALLUZAWRF-DJKKODMXSA-N -2 0 518.330 5.886 40 10 KKCBRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Br)cc4)C3=O)o2)c1 ZINC000214922284 571581873 /nfs/dbraw/zinc/58/18/73/571581873.db2.gz WBMGPTHFNHRKRJ-VXLYETTFSA-N -2 0 528.336 5.342 40 10 KKCBRL O=C1C=CC(=NNc2ccc(C=Cc3ccc(NN=C4C=CC(=O)C=C4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)C=C1 ZINC000263598113 572128158 /nfs/dbraw/zinc/12/81/58/572128158.db2.gz HNJRBCJUHORNHV-CWKXTTIPSA-N -2 0 580.600 6.592 40 10 KKCBRL Cc1ccc2sc(-c3ccc(N=Nc4ccc(-c5nc6c(ccc(C)c6S(=O)(=O)[O-])s5)cc4)cc3)nc2c1S(=O)(=O)[O-] ZINC000299888357 572141059 /nfs/dbraw/zinc/14/10/59/572141059.db2.gz GKLRDQCDXTXRAO-UHFFFAOYSA-N -2 0 636.758 7.766 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)C=CC1=O ZINC000299888808 572142214 /nfs/dbraw/zinc/14/22/14/572142214.db2.gz YKTYNSMVHJIZEJ-UHFFFAOYSA-N -4 0 642.580 5.485 40 10 KKCBRL Nc1ccc(N=Nc2ccc(C=Cc3ccc(NN=C4C(=O)C=Cc5ccccc54)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)c2ccccc12 ZINC000334163722 572155014 /nfs/dbraw/zinc/15/50/14/572155014.db2.gz PUIQMUSJTKKMTK-XEDUJEQZSA-N -2 0 679.736 8.775 40 10 KKCBRL Cc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)[N-]C2=S)c1C ZINC000408774702 1069890133 /nfs/dbraw/zinc/89/01/33/1069890133.db2.gz CRKCJUOYHOFUOB-UDWIEESQSA-N -2 0 612.445 5.017 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4Cl)C3=O)cc2Br)cc1 ZINC000408852903 1070060535 /nfs/dbraw/zinc/06/05/35/1070060535.db2.gz OFYJDBADWAPFAA-OVCLIPMQSA-N -2 0 640.726 6.518 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408934440 1070269628 /nfs/dbraw/zinc/26/96/28/1070269628.db2.gz ASKJMYVWULLSNN-YDZHTSKRSA-N -2 0 601.409 5.555 40 10 KKCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3Cl)C2=O)cc1 ZINC000408946145 1070301243 /nfs/dbraw/zinc/30/12/43/1070301243.db2.gz YFGYOULZLMFNSR-XDHOZWIPSA-N -2 0 555.768 5.046 40 10 KKCBRL CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)cc1 ZINC000408982546 1070340998 /nfs/dbraw/zinc/34/09/98/1070340998.db2.gz HNPQBVMUXYVARY-JAIQZWGSSA-N -2 0 675.273 5.560 40 10 KKCBRL Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)cc1Cl ZINC000408983280 1070342127 /nfs/dbraw/zinc/34/21/27/1070342127.db2.gz LDDYYAONRIHXJE-LSCVHKIXSA-N -2 0 604.240 6.008 40 10 KKCBRL O=C([O-])c1cc(-c2ccc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)o2)ccc1Cl ZINC000409073864 1070500349 /nfs/dbraw/zinc/50/03/49/1070500349.db2.gz JAAWENZDQBYRRJ-LCYFTJDESA-N -2 0 505.697 5.271 40 10 KKCBRL Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C(=O)[N-]C2=S)cc1Cl ZINC000409220698 1070647747 /nfs/dbraw/zinc/64/77/47/1070647747.db2.gz DNTVCSFNFXNDBO-YBEGLDIGSA-N -2 0 501.347 5.091 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000409236218 1070651808 /nfs/dbraw/zinc/65/18/08/1070651808.db2.gz FBEUJXMILXBNJS-DJKKODMXSA-N -2 0 547.942 5.296 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000408914917 1071010715 /nfs/dbraw/zinc/01/07/15/1071010715.db2.gz RQEKIMGHUFDHJZ-VCHYOVAHSA-N -2 0 528.417 5.239 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408945758 1071274868 /nfs/dbraw/zinc/27/48/68/1071274868.db2.gz XEAJJIXXRFVQAS-SRZZPIQSSA-N -2 0 579.403 5.018 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408943796 1071290217 /nfs/dbraw/zinc/29/02/17/1071290217.db2.gz MCNCMKPAVPCTRB-XODNFHPESA-N -2 0 598.099 6.580 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408938680 1071328995 /nfs/dbraw/zinc/32/89/95/1071328995.db2.gz RCHYTODFVKNISL-WSDLNYQXSA-N -2 0 640.430 5.250 40 10 KKCBRL O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2Br)c1 ZINC000408951141 1071352902 /nfs/dbraw/zinc/35/29/02/1071352902.db2.gz LRBVXEHEDQJNCX-CCVNUDIWSA-N -2 0 655.545 6.861 40 10 KKCBRL Cc1cccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)[N-]C2=S)c1 ZINC000408995343 1071553571 /nfs/dbraw/zinc/55/35/71/1071553571.db2.gz MLYCHUKQSKKPDJ-VXLYETTFSA-N -2 0 724.314 5.313 40 10 KKCBRL Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)cc1Cl ZINC000408989275 1071597502 /nfs/dbraw/zinc/59/75/02/1071597502.db2.gz TYQLYOFVOKSBRP-GRSHGNNSSA-N -2 0 569.795 5.355 40 10 KKCBRL Cc1ccccc1N1C(=O)/C(=C/c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C(=O)[N-]C1=S ZINC000408998002 1071661714 /nfs/dbraw/zinc/66/17/14/1071661714.db2.gz PSXCKXNMJAVKAV-VCHYOVAHSA-N -2 0 724.314 5.313 40 10 KKCBRL Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C(=O)[N-]C1=S ZINC000408765880 1071721514 /nfs/dbraw/zinc/72/15/14/1071721514.db2.gz RGQOWFGXJXRTHK-MHWRWJLKSA-N -2 0 545.798 5.200 40 10 KKCBRL Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000409066925 1072000673 /nfs/dbraw/zinc/00/06/73/1072000673.db2.gz DMTNANNLYYZIGP-DJKKODMXSA-N -2 0 648.691 6.117 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4Cl)C3=O)cc2Cl)cc1 ZINC000409066558 1072002719 /nfs/dbraw/zinc/00/27/19/1072002719.db2.gz NKVLOMZVZTVRNQ-CXUHLZMHSA-N -2 0 545.762 5.590 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000409064840 1072012739 /nfs/dbraw/zinc/01/27/39/1072012739.db2.gz FTLXPIUZBAKPDX-LICLKQGHSA-N -2 0 512.349 5.074 40 10 KKCBRL Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)C1=O ZINC000409072673 1072080842 /nfs/dbraw/zinc/08/08/42/1072080842.db2.gz KKEIMRMMYFGAAC-QGMBQPNBSA-N -2 0 559.789 5.899 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000409069452 1072102550 /nfs/dbraw/zinc/10/25/50/1072102550.db2.gz JBJAYOIDCPVCDE-CVKSISIWSA-N -2 0 706.343 6.734 40 10 KKCBRL O=C([O-])c1ccc(COc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)c2)cc1 ZINC000409067478 1072117866 /nfs/dbraw/zinc/11/78/66/1072117866.db2.gz DXAPXSHWKHIGKR-VEILYXNESA-N -2 0 548.551 5.209 40 10 KKCBRL CCCCCOc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[n-]n(-c3ccccc3)c2=O)cc1OCC ZINC000409332322 1072362908 /nfs/dbraw/zinc/36/29/08/1072362908.db2.gz DEHAZQRYPGTSSJ-UHFFFAOYSA-N -2 0 566.702 7.234 40 10 KKCBRL COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)o3)SC2=S)cc1Cl ZINC000409348222 1072559194 /nfs/dbraw/zinc/55/91/94/1072559194.db2.gz SCGOFRDYCWLOCI-VXLYETTFSA-N -2 0 515.952 5.411 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409386470 1072687085 /nfs/dbraw/zinc/68/70/85/1072687085.db2.gz UEQVPRSBFMJYRW-LGJNPRDNSA-N -2 0 596.636 5.700 40 10 KKCBRL CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409399398 1072750167 /nfs/dbraw/zinc/75/01/67/1072750167.db2.gz HXTCGSUKZQJAPT-UNOMPAQXSA-N -2 0 571.811 5.240 40 10 KKCBRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(Br)c(Cl)c4)C3=O)o2)c1 ZINC000409196535 1072831600 /nfs/dbraw/zinc/83/16/00/1072831600.db2.gz PACBKUFXQHCJHT-DJKKODMXSA-N -2 0 605.806 5.434 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409188221 1072883666 /nfs/dbraw/zinc/88/36/66/1072883666.db2.gz BVMVEYZUAIJTIC-ZVHZXABRSA-N -2 0 627.591 5.232 40 10 KKCBRL Cc1ccc(Nc2ccc(/N=N/c3cc(S(=O)(=O)[O-])cc4c(S(=O)(=O)[O-])ccc([O-])c34)c3cccc(S(=O)(=O)[O-])c23)cc1 ZINC000004235519 552451473 /nfs/dbraw/zinc/45/14/73/552451473.db2.gz GBKNFOQXCKINKX-QVIHXGFCSA-N -4 0 643.677 5.906 40 10 KKCBRL O=S(=O)([O-])c1ccccc1N=Nc1ccc(N=Nc2c(O)ccc3ccccc32)c(S(=O)(=O)[O-])c1 ZINC000004416668 552459513 /nfs/dbraw/zinc/45/95/13/552459513.db2.gz RYUPVRNBWXCXBA-QSZPNPOGSA-N -2 0 512.525 5.870 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(N=Nc3c(Nc4ccccc4)ccc4cc(S(=O)(=O)[O-])cc(O)c43)cc2)C=CC1=O ZINC000004523170 552462815 /nfs/dbraw/zinc/46/28/15/552462815.db2.gz ORQRLXUMXSQHJV-FMWAKIAMSA-N -2 0 583.582 7.770 40 10 KKCBRL O=C1C=CC(=NNc2ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc2)c2c1cccc2S(=O)(=O)[O-] ZINC000004804168 552487245 /nfs/dbraw/zinc/48/72/45/552487245.db2.gz KRSNYIGWUHIMKB-QSZPNPOGSA-N -2 0 512.525 5.870 40 10 in-vivo KKCBRL Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000009264700 553229283 /nfs/dbraw/zinc/22/92/83/553229283.db2.gz YPQFNQBHZCQQJW-QRVIBDJDSA-N -2 0 501.608 5.055 40 10 KKCBRL Cc1ccc(N=Nc2c(N)c(C)cc(N=Nc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)c2N)c(S(=O)(=O)[O-])c1 ZINC000071787444 553637464 /nfs/dbraw/zinc/63/74/64/553637464.db2.gz YQRCCACEVOHSDF-LUORZTGCSA-N -2 0 588.606 7.365 40 10 KKCBRL Cc1cc(S(=O)(=O)[O-])c(N)c(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)c(C)c3)cc2C)c1N ZINC000081957123 553673557 /nfs/dbraw/zinc/67/35/57/553673557.db2.gz QYRKLZKJMKCVSE-DRCJXRCRSA-N -2 0 574.619 6.925 40 10 KKCBRL O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc(Cl)cc(Br)c1[O-] ZINC000083327235 553676914 /nfs/dbraw/zinc/67/69/14/553676914.db2.gz ZKEJWASDPQHZFL-WUXMJOGZSA-N -2 0 500.530 5.077 40 10 KKCBRL COC1=CC(=C2C=CC(=NNc3cc(S(=O)(=O)[O-])c4ccccc4c3O)C(OC)=C2)C=CC1=NN=C1C(=O)c2ccc(N)cc2C=C1S(=O)(=O)[O-] ZINC000095544771 553703396 /nfs/dbraw/zinc/70/33/96/553703396.db2.gz DAUWYVUKZMSMCP-NFSGFYSESA-N -2 0 729.749 7.995 40 10 KKCBRL O=S(=O)([O-])c1cccc2c(/N=N/c3ccc(/N=N/c4ccc(Nc5ccccc5)c5c4cccc5S(=O)(=O)[O-])c4ccccc34)cccc21 ZINC000095741979 553711842 /nfs/dbraw/zinc/71/18/42/553711842.db2.gz JWRKFFQQNVQJLW-VJETXLNASA-N -2 0 687.759 10.214 40 10 KKCBRL CC1=CC(=NNc2ccc(-c3ccc(NN=C4C=C(C)C(=O)C(C(=O)[O-])=C4)cc3)cc2)C=C(C(=O)[O-])C1=O ZINC000025694109 553812832 /nfs/dbraw/zinc/81/28/32/553812832.db2.gz VKWTWQFXBPNXLB-JWTBXLROSA-N -2 0 510.506 7.609 40 10 KKCBRL Cc1cc(C)c(N=Nc2cc(C)c(NN=C3C(=O)c4ccc(Nc5ccccc5)cc4C=C3S(=O)(=O)[O-])cc2C)c(S(=O)(=O)[O-])c1 ZINC000033352972 553922598 /nfs/dbraw/zinc/92/25/98/553922598.db2.gz AVGNPNVKTQEJNK-VHJMTFITSA-N -2 0 659.746 8.847 40 10 KKCBRL O=S(=O)([O-])c1cc2c(ccc(S(=O)(=O)[O-])c2/N=N\c2ccccc2/C=C\c2nc3ccccc3[nH]2)c(S(=O)(=O)[O-])c1 ZINC000051012300 554328531 /nfs/dbraw/zinc/32/85/31/554328531.db2.gz VDRQIBOYTROSEX-FJCJOEDISA-N -3 0 614.639 5.042 40 10 KKCBRL O=C1C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccccc1C=Cc1nc2ccccc2[nH]1 ZINC000051012307 554328607 /nfs/dbraw/zinc/32/86/07/554328607.db2.gz DYGFYPFTTUXFLN-FJCJOEDISA-N -2 0 550.574 5.501 40 10 KKCBRL Nc1cc(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccc(C=Cc3nc4ccccc4[nH]3)cc1)C(S(=O)(=O)[O-])=C2 ZINC000100367531 554353825 /nfs/dbraw/zinc/35/38/25/554353825.db2.gz YFCPNBURVWUWDE-JXKQGWSASA-N -2 0 565.589 5.083 40 10 KKCBRL O=C1C=CC(=NNc2ccc(C=Cc3ccc(NN=C4C=CC(=O)C=C4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)C=C1 ZINC000101108007 554640509 /nfs/dbraw/zinc/64/05/09/554640509.db2.gz HNJRBCJUHORNHV-OYUDAGAHSA-N -2 0 580.600 6.592 40 10 KKCBRL Cc1cc(S(=O)(=O)[O-])c(N)c(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)c(C)c3)cc2C)c1N ZINC000101982018 554863899 /nfs/dbraw/zinc/86/38/99/554863899.db2.gz QYRKLZKJMKCVSE-QUVVFHLXSA-N -2 0 574.619 6.925 40 10 KKCBRL Cc1[n-]n(C(=O)CC(=O)Nc2ccccc2C)c(=O)c1N=Nc1ccc(S(=O)(=O)c2ccc(N=Nc3c(C)[n-]n(C(=O)CC(=O)Nc4ccccc4C)c3=O)cc2)cc1 ZINC000150448539 562843418 /nfs/dbraw/zinc/84/34/18/562843418.db2.gz NMZUPLXHJQOACQ-VWSKUCKHSA-N -2 0 816.857 5.588 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000103846717 571363414 /nfs/dbraw/zinc/36/34/14/571363414.db2.gz JAUDVXIXICNQEW-OKCVXOCRSA-N -2 0 620.702 6.497 40 10 KKCBRL CC(=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1)c1c(=O)n(-c2ccccc2)[n-]c1-c1ccccc1 ZINC000103921147 571369700 /nfs/dbraw/zinc/36/97/00/571369700.db2.gz SEUVHUBSFWIUME-QQTULTPQSA-N -2 0 527.606 5.229 40 10 KKCBRL Cc1cc(NN=C2C=CC(=O)C=C2C)ccc1N=Nc1ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2c1 ZINC000104050122 571371765 /nfs/dbraw/zinc/37/17/65/571371765.db2.gz GZGHOPOPGVNNFQ-VMLCCZMXSA-N -2 0 540.579 6.486 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2cccc(C(=O)[O-])c2)c1N ZINC000104050156 571371814 /nfs/dbraw/zinc/37/18/14/571371814.db2.gz YYZYZOATRZLVNL-SZVKHLHBSA-N -2 0 614.622 9.175 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2cccc(C(=O)[O-])c2)c1N ZINC000104050149 571371830 /nfs/dbraw/zinc/37/18/30/571371830.db2.gz YYZYZOATRZLVNL-HYGRMQNNSA-N -2 0 614.622 9.175 40 10 KKCBRL Nc1ccc(N=Nc2ccc(C(=O)[O-])cc2)c(N)c1N=Nc1ccc(NN=C2C=CC(=O)C(C(=O)[O-])=C2)cc1 ZINC000104050449 571371848 /nfs/dbraw/zinc/37/18/48/571371848.db2.gz LDRNQVKKBYGPER-ALEGRRQESA-N -2 0 524.497 7.199 40 10 KKCBRL Cc1ccccc1N=Nc1ccc(NN=C2C(=O)C=Cc3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c32)c(C)c1 ZINC000104221670 571377212 /nfs/dbraw/zinc/37/72/12/571377212.db2.gz MGOSORQIYUOFSQ-LYJPHZJBSA-N -2 0 540.579 6.486 40 10 KKCBRL O=C1c2c(cccc2S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C1=NNc1ccc(N=Nc2ccccc2)cc1 ZINC000104366396 571379548 /nfs/dbraw/zinc/37/95/48/571379548.db2.gz JSULGLNYTBQZQY-RUFRKCMOSA-N -2 0 512.525 5.870 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(N=Nc3c(Nc4ccccc4)ccc4cc(S(=O)(=O)[O-])cc(O)c43)cc2)C=CC1=O ZINC000104367285 571379656 /nfs/dbraw/zinc/37/96/56/571379656.db2.gz ORQRLXUMXSQHJV-IUQQBYGBSA-N -2 0 583.582 7.770 40 10 KKCBRL O=C1C=Cc2ccc(S(=O)(=O)[O-])cc2C1=NNc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000104381546 571379837 /nfs/dbraw/zinc/37/98/37/571379837.db2.gz MNWZRTYAQWJKPK-HXEHWPEMSA-N -2 0 512.525 5.870 40 10 KKCBRL O=C1C=Cc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2C1=NNc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000104388974 571379840 /nfs/dbraw/zinc/37/98/40/571379840.db2.gz MKOJHJCFYCSSJX-RIIXPHEHSA-N -3 0 592.589 5.116 40 10 KKCBRL NC1=CC=C2C(=O)C=C(S(=O)(=O)[O-])C=C2C1=NNc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000104388987 571379890 /nfs/dbraw/zinc/37/98/90/571379890.db2.gz FAVWUHVDBDLERC-OUYNTLDRSA-N -2 0 527.540 5.452 40 10 KKCBRL COc1cc(N=Nc2ccc(S(=O)(=O)[O-])cc2)ccc1NN=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O ZINC000104389108 571379965 /nfs/dbraw/zinc/37/99/65/571379965.db2.gz XOTQPIXCCVYCLG-DYORGOFNSA-N -2 0 542.551 5.878 40 10 KKCBRL Cn1c(=O)c(C(=O)C[C@H](Nc2ccccc2Br)c2c(O)ccc3ccccc32)c([O-])c2ccccc21 ZINC000104827475 571386646 /nfs/dbraw/zinc/38/66/46/571386646.db2.gz XHPFIHNXOXDWLA-QFIPXVFZSA-N -2 0 543.417 6.292 40 10 KKCBRL O=C(Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc1)C2=O)c1ccccc1 ZINC000150364511 571464434 /nfs/dbraw/zinc/46/44/34/571464434.db2.gz IGXZMQCLUNTWCC-DRCJXRCRSA-N -2 0 631.648 7.122 40 10 KKCBRL Nc1ccc2ccccc2c1/N=N\c1ccc(/C=C\c2ccc(/N=N\c3c(N)ccc4ccccc43)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1 ZINC000150365713 571464637 /nfs/dbraw/zinc/46/46/37/571464637.db2.gz ANGMGEOZQHWOBK-BPPXTLIOSA-N -2 0 678.752 8.652 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(NC(=O)c3ccc(N)cc3)cc2)ccc1N=Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc(S(=O)(=O)[O-])cc1C)c2O ZINC000150367722 571465103 /nfs/dbraw/zinc/46/51/03/571465103.db2.gz UNJBQHJKVLTHLE-SDMPIPMESA-N -2 0 793.840 8.573 40 10 KKCBRL Cc1ccccc1N=Nc1ccc(N=Nc2c(N)c(N=Nc3ccc(-c4ccc(NN=C5C=CC(=O)C(C(=O)[O-])=C5)cc4)cc3)cc(S(=O)(=O)[O-])c2N)c(C)c1 ZINC000150367973 571465219 /nfs/dbraw/zinc/46/52/19/571465219.db2.gz KFYXJYDEUYFMDW-KSRVXGSBSA-N -2 0 768.816 11.447 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C(=O)c5c(N)c(N=Nc6cc(Cl)ccc6Cl)c(S(=O)(=O)[O-])cc5C=C4S(=O)(=O)[O-])cc3)cc2)c(N)cc1N ZINC000150368155 571465312 /nfs/dbraw/zinc/46/53/12/571465312.db2.gz FIXQRTWLTDSZRN-MDXRGOSYSA-N -2 0 820.697 10.314 40 10 KKCBRL COc1cc(/N=N/c2ccc(/N=N\c3cc(S(=O)(=O)[O-])ccc3S(=O)(=O)[O-])c(C)c2)c(C)cc1/N=N\c1ccc(NC(=O)c2ccc(N)cc2)cc1C ZINC000150368170 571465351 /nfs/dbraw/zinc/46/53/51/571465351.db2.gz JOJHDPRFNMKYMD-CZHOLRGWSA-N -2 0 756.823 9.195 40 10 KKCBRL Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=Nc1ccc(-c2ccc(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)c(S(=O)(=O)[O-])c2)cc1 ZINC000150384395 571468338 /nfs/dbraw/zinc/46/83/38/571468338.db2.gz VIMSRKLHXNUATO-VRHPPPGISA-N -3 0 788.842 7.214 40 10 KKCBRL O=S(=O)([O-])c1cccc2c(/N=N\c3ccc(/N=N/c4ccc(Nc5ccccc5)c5c4cccc5S(=O)(=O)[O-])c4ccccc34)cccc21 ZINC000150386580 571469367 /nfs/dbraw/zinc/46/93/67/571469367.db2.gz JWRKFFQQNVQJLW-DOJKWAFBSA-N -2 0 687.759 10.214 40 10 KKCBRL Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=Nc1ccc(-c2ccc(NN=C3C=CC(=O)C(C(=O)[O-])=C3)c(C)c2)cc1C ZINC000150396802 571476673 /nfs/dbraw/zinc/47/66/73/571476673.db2.gz MKPMKGJHFHXYGK-ZJAJYQBWSA-N -3 0 626.651 6.911 40 10 KKCBRL Cc1c(NN=c2c(=O)c3c(=O)c(=NNc4c(C)n(C)n(-c5ccccc5)c4=O)c(S(=O)(=O)[O-])cc=3cc2S(=O)(=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000150406073 571479486 /nfs/dbraw/zinc/47/94/86/571479486.db2.gz SZVOKPKIXYMQHL-FFROBNHHSA-N -2 0 748.756 5.171 40 10 KKCBRL O=C1C=CC(=NNc2ccc(C=Cc3ccc(NN=C4C=CC(=O)c5ccccc54)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)c2ccccc21 ZINC000150468342 571508473 /nfs/dbraw/zinc/50/84/73/571508473.db2.gz YGDXUVZMTOEEOK-AWMHTXBWSA-N -2 0 680.720 8.899 40 10 KKCBRL Cc1cc(C)c(N=Nc2cc(C)c(NN=C3C(=O)c4ccc(Nc5ccccc5)cc4C=C3S(=O)(=O)[O-])cc2C)c(S(=O)(=O)[O-])c1 ZINC000150476908 571511039 /nfs/dbraw/zinc/51/10/39/571511039.db2.gz AVGNPNVKTQEJNK-QYQVJVQQSA-N -2 0 659.746 8.847 40 10 KKCBRL COc1cc(N=Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc([O-])c32)c(C)cc1N=Nc1c(O)c2ccc(Nc3ccccc3)cc2cc1S(=O)(=O)[O-] ZINC000150476968 571511051 /nfs/dbraw/zinc/51/10/51/571511051.db2.gz OJWWQROAEXSSTO-VAXAQTQESA-N -4 0 793.814 8.036 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(-c3ccc(NN=C4C(=O)c5cc(Nc6ccccc6)ccc5C=C4S(=O)(=O)[O-])cc3)cc2)C=CC1=O ZINC000150477000 571511200 /nfs/dbraw/zinc/51/12/00/571511200.db2.gz GNBQDUZSFCDONM-NGHPONOGSA-N -2 0 659.680 9.437 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(-c3ccc(NN=C4C(=O)c5cc(Nc6ccccc6)ccc5C=C4S(=O)(=O)[O-])cc3)cc2)C=CC1=O ZINC000150477003 571511293 /nfs/dbraw/zinc/51/12/93/571511293.db2.gz GNBQDUZSFCDONM-NVXIXPEWSA-N -2 0 659.680 9.437 40 10 KKCBRL Cc1cc(N=Nc2ccc(Sc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(S(=O)(=O)[O-])cc2)c1N ZINC000150485415 571515730 /nfs/dbraw/zinc/51/57/30/571515730.db2.gz OKXJENZJSYUYBE-DQFXIYPZSA-N -2 0 682.744 9.207 40 10 KKCBRL Cc1ccccc1N=Nc1ccc(NN=C2C(=O)c3c(N)c(N=Nc4ccc([N+](=O)[O-])cc4)c(S(=O)(=O)[O-])cc3C=C2S(=O)(=O)[O-])c(C)c1 ZINC000150485387 571515769 /nfs/dbraw/zinc/51/57/69/571515769.db2.gz CLJQREPWTVFCEV-CAPOPURQSA-N -2 0 704.703 8.392 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(CC(=O)[O-])cc2)c1N ZINC000150485181 571515786 /nfs/dbraw/zinc/51/57/86/571515786.db2.gz FTZFOSODKHQRNT-ZFEHFAFLSA-N -2 0 628.649 9.104 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2cc(Cl)ccc2S(=O)(=O)[O-])c1N ZINC000150485130 571515788 /nfs/dbraw/zinc/51/57/88/571515788.db2.gz VWTMKDWOLMLALS-GRKJPLEWSA-N -2 0 685.122 9.377 40 10 KKCBRL Cc1cc(/N=N\c2ccc(NC(=O)c3ccccc3)c3ccc(S(=O)(=O)[O-])cc23)ccc1/N=N/c1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1 ZINC000150485452 571515929 /nfs/dbraw/zinc/51/59/29/571515929.db2.gz AAUIDNOFUYJNFP-GNOGBKIISA-N -2 0 695.735 8.584 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(Nc3ccccc3)c(S(=O)(=O)[O-])c2)c1N ZINC000150485553 571515944 /nfs/dbraw/zinc/51/59/44/571515944.db2.gz GZJRODUHRHKKFX-GTRIJMQGSA-N -2 0 741.790 10.467 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(NC(=O)c3ccc(N)cc3)cc2)ccc1N=Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccc3cc(S(=O)(=O)[O-])ccc3c1)C2=O ZINC000150485657 571516104 /nfs/dbraw/zinc/51/61/04/571516104.db2.gz IVIZYDSICQSNIS-NTMZJGNDSA-N -2 0 829.873 9.418 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(N=Nc4c(N)c5c(cc4S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C(=NNc4ccccc4)C5=O)cc3)cc2)c(N)cc1N ZINC000150488792 571516878 /nfs/dbraw/zinc/51/68/78/571516878.db2.gz BKBDZNUWZUWXOC-VBISHPDDSA-N -2 0 751.807 9.007 40 10 KKCBRL CCOc1ccc(N=Nc2ccc(-c3ccc(NN=C4C(=O)C=Cc5cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c54)c(C)c3)cc2C)cc1 ZINC000150552448 571520811 /nfs/dbraw/zinc/52/08/11/571520811.db2.gz UPWKNFZOZGYCQR-HLMXYHKXSA-N -2 0 660.730 8.552 40 10 KKCBRL COc1cc(-c2ccc(NN=C3C=C(S(=O)(=O)[O-])c4ccccc4C3=O)c(OC)c2)ccc1N=Nc1c(O)c2cc(O)c(C(=O)[O-])cc2cc1S(=O)(=O)[O-] ZINC000150570491 571521307 /nfs/dbraw/zinc/52/13/07/571521307.db2.gz ISDJYMKMTCNNEJ-PKJKGCPLSA-N -3 0 774.742 7.816 40 10 KKCBRL Nc1ccc(N=Nc2ccc3c(c2)C(=O)C(=NNc2ccc(N=Nc4ccc(N)cc4N)c(S(=O)(=O)[O-])c2)C(S(=O)(=O)[O-])=C3)c(N)c1 ZINC000150578850 571521653 /nfs/dbraw/zinc/52/16/53/571521653.db2.gz ADRMADAIKSWNOR-GVOTUKHXSA-N -2 0 676.697 6.614 40 10 KKCBRL O=S(=O)([N-]c1ccc([N-]S(=O)(=O)c2cc(Br)ccc2Br)cc1)c1cc(Br)ccc1Br ZINC000150640839 571524566 /nfs/dbraw/zinc/52/45/66/571524566.db2.gz XBPQJCNMUKPLFV-UHFFFAOYSA-N -2 0 704.054 6.338 40 10 KKCBRL Nc1ccc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(N=Nc5ccccc5)c5cc(S(=O)(=O)[O-])ccc45)c4cc(S(=O)(=O)[O-])ccc34)c(O)c2c1 ZINC000150653479 571526019 /nfs/dbraw/zinc/52/60/19/571526019.db2.gz FZGYDRMMZZMMDK-OAARMPHUSA-N -3 0 811.836 9.420 40 10 KKCBRL CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc(C(=O)[O-])c4)c(OC)c3)C2=O)c1 ZINC000164345530 571546141 /nfs/dbraw/zinc/54/61/41/571546141.db2.gz ILANMGVMTIKAFG-CIAFOILYSA-N -2 0 686.455 5.041 40 10 KKCBRL O=C(Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc3cc(S(=O)(=O)[O-])ccc3c1)c2O)Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccccc1)C2=O ZINC000261145888 572103091 /nfs/dbraw/zinc/10/30/91/572103091.db2.gz NWOCDYDZTXIFOD-UHFFFAOYSA-N -3 0 842.846 8.772 40 10 KKCBRL Nc1c(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C=C4)cc3)cc2)c(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccccc1)C(S(=O)(=O)[O-])=C2 ZINC000299888675 572142088 /nfs/dbraw/zinc/14/20/88/572142088.db2.gz SVDFQQGETUITSO-UHFFFAOYSA-N -2 0 723.749 9.240 40 10 KKCBRL O=C([O-])c1ccc(Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c3ccccc32)o1 ZINC000408541224 572207695 /nfs/dbraw/zinc/20/76/95/572207695.db2.gz CCOAXLJHPXRVMR-RQZCQDPDSA-N -2 0 540.384 5.119 40 10 KKCBRL CCn1c(S/C(=C\c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408631570 572287782 /nfs/dbraw/zinc/28/77/82/572287782.db2.gz FRMBPTMUUOLTCX-HMAPJEAMSA-N -2 0 523.014 5.942 40 10 KKCBRL CCOc1ccc(N=Nc2ccc(/C=C\c3ccc(N=Nc4ccc(OCC)cc4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)cc1 ZINC000256128168 572305565 /nfs/dbraw/zinc/30/55/65/572305565.db2.gz AVERNFJXXRIVQN-LKIRPSGCSA-N -2 0 636.708 7.979 40 10 KKCBRL O=S(=O)([O-])c1cc(O)c2c(c1)cc(S(=O)(=O)[O-])cc2N=Nc1ccc(Nc2ccccc2)c2c1cccc2S(=O)(=O)[O-] ZINC000257076956 572305862 /nfs/dbraw/zinc/30/58/62/572305862.db2.gz QFVHZQCOUORWEI-UHFFFAOYSA-N -3 0 629.650 5.598 40 10 KKCBRL O=S(=O)([O-])c1ccc(N=Nc2ccc(N=Nc3c(O)ccc4ccccc43)c(S(=O)(=O)[O-])c2)cc1 ZINC000257198453 572305990 /nfs/dbraw/zinc/30/59/90/572305990.db2.gz BYABGQJPCPYPSZ-UHFFFAOYSA-N -2 0 512.525 5.870 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000408903607 1069752731 /nfs/dbraw/zinc/75/27/31/1069752731.db2.gz UGYYPBTZGVXGBY-VXLYETTFSA-N -2 0 630.245 5.164 40 10 KKCBRL Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)cc1C ZINC000408849246 1070062326 /nfs/dbraw/zinc/06/23/26/1070062326.db2.gz VSQBDHWZRGSGFB-CIAFOILYSA-N -2 0 549.377 5.010 40 10 KKCBRL O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Br)c1 ZINC000408899439 1070157752 /nfs/dbraw/zinc/15/77/52/1070157752.db2.gz PGFRMNXBOYAIIA-YBFXNURJSA-N -2 0 555.768 5.046 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000408940150 1070284889 /nfs/dbraw/zinc/28/48/89/1070284889.db2.gz UKQWZFZFQQHUOX-RGVLZGJSSA-N -2 0 646.821 5.287 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408948235 1070312887 /nfs/dbraw/zinc/31/28/87/1070312887.db2.gz FCQRUTNACDGZNM-XODNFHPESA-N -2 0 685.571 6.869 40 10 KKCBRL CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408984436 1070352834 /nfs/dbraw/zinc/35/28/34/1070352834.db2.gz QZFGRTDTVFWVNC-JMIUGGIZSA-N -2 0 613.848 5.753 40 10 KKCBRL Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)cc1Cl ZINC000408991148 1070357823 /nfs/dbraw/zinc/35/78/23/1070357823.db2.gz ZHLLUQRZJSWIRF-LSCVHKIXSA-N -2 0 648.691 6.117 40 10 KKCBRL O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4)C3=O)cc2I)cc1 ZINC000408997448 1070367122 /nfs/dbraw/zinc/36/71/22/1070367122.db2.gz GERFEFIFXPXKDL-QGMBQPNBSA-N -2 0 744.732 5.658 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000408897249 1070824991 /nfs/dbraw/zinc/82/49/91/1070824991.db2.gz IOVSOSPJLGMJAN-WSDLNYQXSA-N -2 0 640.430 5.250 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000408903323 1070904919 /nfs/dbraw/zinc/90/49/19/1070904919.db2.gz QRYKVOISKCQGFO-RGVLZGJSSA-N -2 0 599.821 5.445 40 10 KKCBRL COc1ccc(-c2[n-]n(-c3nc4ccccc4s3)c(=O)c2C(C)=Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)cc1 ZINC000103922578 1070934968 /nfs/dbraw/zinc/93/49/68/1070934968.db2.gz XIAXEBSLFACQLJ-XHPQRKPJSA-N -2 0 611.709 5.341 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408936404 1071213546 /nfs/dbraw/zinc/21/35/46/1071213546.db2.gz GBSLLOJBGAXSDR-ZVHZXABRSA-N -2 0 570.985 5.836 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408946656 1071266372 /nfs/dbraw/zinc/26/63/72/1071266372.db2.gz PITRZCZBHKVFOR-CXUHLZMHSA-N -2 0 532.767 5.419 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000408946761 1071267811 /nfs/dbraw/zinc/26/78/11/1071267811.db2.gz AYDXASDFKGRFGK-IPPBACCNSA-N -2 0 699.598 7.259 40 10 KKCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(Br)cc4)c(Cl)c3)C2=O)cc1 ZINC000408940384 1071316563 /nfs/dbraw/zinc/31/65/63/1071316563.db2.gz NWTVWZGLMXIYBG-YBFXNURJSA-N -2 0 555.768 5.046 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408939054 1071325783 /nfs/dbraw/zinc/32/57/83/1071325783.db2.gz LPEJZKWGYFSUGK-QGMBQPNBSA-N -2 0 575.788 5.599 40 10 KKCBRL O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Cl)c([O-])c(Cl)c1 ZINC000408948316 1071366285 /nfs/dbraw/zinc/36/62/85/1071366285.db2.gz FMDXQOUUFNBTCX-DNTJNYDQSA-N -2 0 511.405 5.833 40 10 KKCBRL CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408983064 1071521080 /nfs/dbraw/zinc/52/10/80/1071521080.db2.gz KAFHXTXNJGZPHU-JMIUGGIZSA-N -2 0 569.397 5.644 40 10 KKCBRL CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408981498 1071534867 /nfs/dbraw/zinc/53/48/67/1071534867.db2.gz BKLCCPHIPOMZAX-XKZIYDEJSA-N -2 0 548.979 5.245 40 10 KKCBRL Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C1=O ZINC000408995457 1071552560 /nfs/dbraw/zinc/55/25/60/1071552560.db2.gz AFXCBTXKTYKBCG-GIJQJNRQSA-N -2 0 787.142 5.910 40 10 KKCBRL Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1cccc(OC(=O)c2ccccc2Cl)c1 ZINC000408991046 1071583569 /nfs/dbraw/zinc/58/35/69/1071583569.db2.gz YTPORESDQSGMPT-UHFFFAOYSA-N -2 0 591.067 7.139 40 10 KKCBRL O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2I)cc1 ZINC000409001010 1071647580 /nfs/dbraw/zinc/64/75/80/1071647580.db2.gz OKOMVMVOQWSLKT-FRKPEAEDSA-N -2 0 779.177 6.311 40 10 KKCBRL Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C2=O)ccc1Br ZINC000408754505 1071650471 /nfs/dbraw/zinc/65/04/71/1071650471.db2.gz RBZYVGWTYVPYHM-MHWRWJLKSA-N -2 0 529.730 5.036 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408753764 1071655157 /nfs/dbraw/zinc/65/51/57/1071655157.db2.gz HWENVEDRPSQHGG-RGVLZGJSSA-N -2 0 658.299 5.862 40 10 KKCBRL Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)ccc1Br ZINC000408752694 1071663730 /nfs/dbraw/zinc/66/37/30/1071663730.db2.gz JKMBVVBVWPYNTO-GIJQJNRQSA-N -2 0 787.142 5.910 40 10 KKCBRL CCOc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[n-]n(-c3ccccc3)c2=O)ccc1OC(=O)c1ccccc1 ZINC000409025793 1071707686 /nfs/dbraw/zinc/70/76/86/1071707686.db2.gz WTZDDTUJHLGYAH-UHFFFAOYSA-N -2 0 600.675 6.884 40 10 KKCBRL COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408761267 1071740304 /nfs/dbraw/zinc/74/03/04/1071740304.db2.gz DNGIBNWAPGXODK-ZDLGFXPLSA-N -2 0 557.411 5.111 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408775897 1071753030 /nfs/dbraw/zinc/75/30/30/1071753030.db2.gz SSRIXSBFRQSHIF-CIAFOILYSA-N -2 0 579.403 5.100 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Br)cc1 ZINC000408769384 1071792355 /nfs/dbraw/zinc/79/23/55/1071792355.db2.gz SMFFVRIEHMAEPU-GIJQJNRQSA-N -2 0 634.664 5.809 40 10 KKCBRL O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Br)c([O-])c(Br)c1 ZINC000409046108 1071835359 /nfs/dbraw/zinc/83/53/59/1071835359.db2.gz IOSLUWBOOYHHSU-VCHYOVAHSA-N -2 0 572.209 5.163 40 10 KKCBRL O=C([O-])c1ccc(COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000409050145 1071958355 /nfs/dbraw/zinc/95/83/55/1071958355.db2.gz ZKFFHLVZAFIAPD-IMRQLAEWSA-N -2 0 548.551 5.209 40 10 KKCBRL O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Cl)cc1 ZINC000409066368 1071994162 /nfs/dbraw/zinc/99/41/62/1071994162.db2.gz MUMPUHKSSCPTJI-WGOQTCKBSA-N -2 0 582.996 5.863 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Br)cc1 ZINC000409066395 1071994784 /nfs/dbraw/zinc/99/47/84/1071994784.db2.gz ANQVMZZUJDVZKK-FRKPEAEDSA-N -2 0 669.109 6.462 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409075624 1072059124 /nfs/dbraw/zinc/05/91/24/1072059124.db2.gz SKSKLUSDRHVIIA-VCHYOVAHSA-N -2 0 555.370 5.254 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000409074778 1072066726 /nfs/dbraw/zinc/06/67/26/1072066726.db2.gz RKNNUGQYOISTDY-VXLYETTFSA-N -2 0 590.213 5.700 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409073384 1072075282 /nfs/dbraw/zinc/07/52/82/1072075282.db2.gz HHYBOFJLQLQQJL-CAOOACKPSA-N -2 0 667.239 5.550 40 10 KKCBRL Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000409070962 1072092462 /nfs/dbraw/zinc/09/24/62/1072092462.db2.gz MPKHASIGFFIAEZ-XDHOZWIPSA-N -2 0 569.795 5.355 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000409067464 1072117882 /nfs/dbraw/zinc/11/78/82/1072117882.db2.gz DUSPFXUDJINETG-CAOOACKPSA-N -2 0 580.207 6.244 40 10 KKCBRL COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409100358 1072321622 /nfs/dbraw/zinc/32/16/22/1072321622.db2.gz USFSVOFVDPCEDB-SRZZPIQSSA-N -2 0 556.017 5.730 40 10 KKCBRL CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(OCC)c3)C2=O)cc1OC ZINC000409132942 1072501555 /nfs/dbraw/zinc/50/15/55/1072501555.db2.gz PKTOCAXTXZBMBU-YDZHTSKRSA-N -2 0 667.509 5.584 40 10 KKCBRL CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)C2=O)cc1OC ZINC000409131182 1072510728 /nfs/dbraw/zinc/51/07/28/1072510728.db2.gz MIMVGYDYPCPIEA-LPYMAVHISA-N -2 0 579.005 5.077 40 10 KKCBRL Cc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c(C)n1-c1ccc(C)c(Br)c1 ZINC000409370604 1072653923 /nfs/dbraw/zinc/65/39/23/1072653923.db2.gz BAKCBVRMBRUKAF-UHFFFAOYSA-N -2 0 622.567 8.154 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409384333 1072700855 /nfs/dbraw/zinc/70/08/55/1072700855.db2.gz BHAKAROARBTAQI-YBFXNURJSA-N -2 0 568.449 5.162 40 10 KKCBRL CCOc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[n-]n(-c3ccccc3)c2=O)ccc1OC(=O)c1ccccc1OC ZINC000409197380 1072935986 /nfs/dbraw/zinc/93/59/86/1072935986.db2.gz DETPXXVHJXSFFQ-UHFFFAOYSA-N -2 0 630.701 6.893 40 10 KKCBRL Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C(=O)[N-]C2=S)cc1Cl ZINC000409223264 1072989295 /nfs/dbraw/zinc/98/92/95/1072989295.db2.gz FAYKTNKNPYSVFA-MHWRWJLKSA-N -2 0 501.347 5.091 40 10 KKCBRL O=C([O-])c1cc(-c2ccc(/C=C3/C(=O)[N-]C(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)ccc1Cl ZINC000409239326 1073115495 /nfs/dbraw/zinc/11/54/95/1073115495.db2.gz MULOAOHZBQCVBD-YBEGLDIGSA-N -2 0 520.872 5.148 40 10 KKCBRL COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000001084252 551606145 /nfs/dbraw/zinc/60/61/45/551606145.db2.gz UAOWQIKVPMOQIV-BOPFTXTBSA-N -2 0 557.411 5.111 40 10 KKCBRL O=c1c(CO)cc(=NNc2ccc(S(=O)(=O)[O-])c3ccccc23)c(=O)c1=NNc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC000003830332 552418588 /nfs/dbraw/zinc/41/85/88/552418588.db2.gz ZMJZWRQKSFYRJU-FUEWEDNTSA-N -2 0 608.610 6.221 40 10 endogenous,in-man KKCBRL O=C1C=Cc2cccc(S(=O)(=O)[O-])c2C1=NNc1ccc(S(=O)(=O)c2ccc(NN=C3C(=O)C=Cc4cccc(S(=O)(=O)[O-])c43)cc2)cc1 ZINC000004428369 552460889 /nfs/dbraw/zinc/46/08/89/552460889.db2.gz XQDXOBGAFYLUDL-LBYUQGKWSA-N -2 0 718.747 7.561 40 10 KKCBRL O=S(=O)([O-])c1cc2c(ccc(S(=O)(=O)[O-])c2/N=N\c2ccccc2/C=C/c2nc3ccccc3[nH]2)c(S(=O)(=O)[O-])c1 ZINC000004701251 552472040 /nfs/dbraw/zinc/47/20/40/552472040.db2.gz VDRQIBOYTROSEX-WKBQEHFWSA-N -3 0 614.639 5.042 40 10 KKCBRL COc1cc(N=Nc2ccc(S(=O)(=O)[O-])cc2)ccc1NN=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O ZINC000004758271 552476488 /nfs/dbraw/zinc/47/64/88/552476488.db2.gz XOTQPIXCCVYCLG-JQRDNDPDSA-N -2 0 542.551 5.878 40 10 KKCBRL O=C([O-])c1cccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(-c4ccc(Br)cc4C(=O)[O-])o3)C2=O)c1 ZINC000014949031 553522186 /nfs/dbraw/zinc/52/21/86/553522186.db2.gz CDPPDRJSGHLYJL-YVLHZVERSA-N -2 0 549.255 5.454 40 10 KKCBRL CC1(C)c2cc(S(=O)(=O)[O-])ccc2[N+](CCCCCC(=O)[O-])=C1/C=C/C=C1/N(CCCCCC(=O)[O-])c2ccc(S(=O)(=O)[O-])cc2C1(C)C ZINC000072131070 553642282 /nfs/dbraw/zinc/64/22/82/553642282.db2.gz AYFNGAVPORGJOD-UHFFFAOYSA-O -3 0 717.883 6.084 40 10 in-vitro KKCBRL O=C1C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccc(C=Cc2nc3ccccc3[nH]2)cc1 ZINC000051012312 554328648 /nfs/dbraw/zinc/32/86/48/554328648.db2.gz BNPGXKUMUMCMHO-YBVTYLRCSA-N -2 0 550.574 5.501 40 10 KKCBRL COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(=O)[O-])N3)c1 ZINC000058849461 554369193 /nfs/dbraw/zinc/36/91/93/554369193.db2.gz YJCWDPJMWQZENS-ANSQWYIGSA-N -2 0 506.580 5.029 40 10 KKCBRL Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000059198223 554384646 /nfs/dbraw/zinc/38/46/46/554384646.db2.gz ZHGWFMQBMKFPFY-XDHOZWIPSA-N -2 0 508.328 5.062 40 10 KKCBRL Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccccc1)C(S(=O)(=O)[O-])=C2 ZINC000100471714 554399124 /nfs/dbraw/zinc/39/91/24/554399124.db2.gz HKJKONMZMPUGHJ-OEIMGSSDSA-N -2 0 572.537 5.360 40 10 KKCBRL O=C1C=CC(=NNc2ccc(C=Cc3ccc(NN=C4C=CC(=O)C=C4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)C=C1 ZINC000101108014 554640513 /nfs/dbraw/zinc/64/05/13/554640513.db2.gz HNJRBCJUHORNHV-ZFFYKNBQSA-N -2 0 580.600 6.592 40 10 KKCBRL O=C1C=CC(=NNc2ccc(C=Cc3ccc(NN=C4C=CC(=O)C=C4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)C=C1 ZINC000101108019 554640535 /nfs/dbraw/zinc/64/05/35/554640535.db2.gz HNJRBCJUHORNHV-BLTPOFBISA-N -2 0 580.600 6.592 40 10 KKCBRL O=C1C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccc(N=Nc2ccccc2)cc1 ZINC000101147391 554656368 /nfs/dbraw/zinc/65/63/68/554656368.db2.gz QHXMGBJYVJFXEU-RIIXPHEHSA-N -2 0 512.525 5.870 40 10 KKCBRL COc1cc(N=Nc2ccc(S(=O)(=O)[O-])cc2)ccc1NN=C1C(=O)C=Cc2cc(S(=O)(=O)[O-])ccc21 ZINC000104389073 562825094 /nfs/dbraw/zinc/82/50/94/562825094.db2.gz JJPGXAVPIMHUCQ-RNDSACKQSA-N -2 0 542.551 5.878 40 10 KKCBRL COc1ccc(-c2[n-]n(-c3ccccc3)c(=O)c2C(C)=Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)nn3)cc2)cc1 ZINC000103922712 571369972 /nfs/dbraw/zinc/36/99/72/571369972.db2.gz LHQAKMWZMHCGHT-ITYLOYPMSA-N -2 0 575.050 5.076 40 10 KKCBRL COc1ccc(-c2[n-]n(-c3ccc(F)cc3)c(=O)c2C(C)=Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)nn3)cc2)cc1 ZINC000103922727 571370003 /nfs/dbraw/zinc/37/00/03/571370003.db2.gz QVMAVUZOMMQSEU-ONUIUJJFSA-N -2 0 593.040 5.216 40 10 KKCBRL Nc1ccc2c(c1)C(=O)C(=NNc1ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc1)C(S(=O)(=O)[O-])=C2 ZINC000104044311 571371666 /nfs/dbraw/zinc/37/16/66/571371666.db2.gz IRGWFPQSVKCDEC-UGNJQGKKSA-N -2 0 583.582 7.276 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(NC(=O)Nc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)C=CC1=O ZINC000104045174 571371689 /nfs/dbraw/zinc/37/16/89/571371689.db2.gz RGFYLWOAVUGTJI-UOALMSBLSA-N -2 0 540.492 6.969 40 10 KKCBRL Cc1cc(NN=C2C=CC(=O)C=C2C)ccc1N=Nc1ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2c1 ZINC000104050132 571371809 /nfs/dbraw/zinc/37/18/09/571371809.db2.gz GZGHOPOPGVNNFQ-HBOGUZBZSA-N -2 0 540.579 6.486 40 10 KKCBRL Cc1ccc(N=Nc2c(N)c(C)cc(N=Nc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)c2N)c(S(=O)(=O)[O-])c1 ZINC000104050474 571371844 /nfs/dbraw/zinc/37/18/44/571371844.db2.gz YQRCCACEVOHSDF-YYJPQMRKSA-N -2 0 588.606 7.365 40 10 KKCBRL Cc1ccc(N=Nc2cc(C)c(N)c(N=Nc3ccc(NN=C4C=C(C(=O)[O-])C(=O)C(S(=O)(=O)[O-])=C4)c(C)c3)c2N)cc1 ZINC000104050482 571371853 /nfs/dbraw/zinc/37/18/53/571371853.db2.gz VBBHCYVWGOKODU-MOFYECGYSA-N -2 0 602.633 7.673 40 10 KKCBRL O=C1C=Cc2ccccc2C1=NNC1=CC(S(=O)(=O)[O-])=CC(=NNc2c(O)ccc3cc(S(=O)(=O)[O-])ccc32)C1=O ZINC000104221751 571377242 /nfs/dbraw/zinc/37/72/42/571377242.db2.gz UNQKGOZAZKPDEY-SWGBCSPSSA-N -2 0 594.583 6.434 40 10 KKCBRL Cc1c(N=Nc2cc(N=Nc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)c(N)cc2N)cccc1S(=O)(=O)[O-] ZINC000104337933 571379346 /nfs/dbraw/zinc/37/93/46/571379346.db2.gz BFOIOBIKWZUYAS-LGCGKUIBSA-N -2 0 574.579 7.056 40 10 KKCBRL O=C1c2ccccc2C(S(=O)(=O)[O-])=CC1=NNc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000104366992 571379520 /nfs/dbraw/zinc/37/95/20/571379520.db2.gz HRJPKTJYWMCGSF-RIIXPHEHSA-N -2 0 512.525 5.870 40 10 KKCBRL O=C1C=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000104381520 571379805 /nfs/dbraw/zinc/37/98/05/571379805.db2.gz RIDBENMURUEPGK-RUFRKCMOSA-N -2 0 512.525 5.870 40 10 KKCBRL COc1ccccc1NN=C1C(=O)c2c(N)c(N=Nc3ccc([N+](=O)[O-])cc3)c(S(=O)(=O)[O-])cc2C=C1S(=O)(=O)[O-] ZINC000104389454 571380031 /nfs/dbraw/zinc/38/00/31/571380031.db2.gz UOCOMQICCFXDGK-LBXGSASVSA-N -2 0 602.563 5.369 40 10 KKCBRL Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccc3c(O)c(N=Nc4c(Br)cc(Br)c5ccc(S(=O)(=O)[O-])cc54)c(S(=O)(=O)[O-])cc3c1)C2=O ZINC000150341693 571458223 /nfs/dbraw/zinc/45/82/23/571458223.db2.gz WDBYFLKQKSKNDL-XVIRNCMOSA-N -3 0 881.515 8.236 40 10 KKCBRL O=C1c2c(cc(S(=O)(=O)[O-])cc2N=Nc2c(O)ccc3ccccc32)C=C(S(=O)(=O)[O-])C1=NNc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC000150342618 571458718 /nfs/dbraw/zinc/45/87/18/571458718.db2.gz WQWKYALNLSYERE-ZYZGVUGGSA-N -3 0 708.708 7.128 40 10 KKCBRL Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccc(-c3ccc(NN=C4C=CC(=O)C=C4)cc3)cc1)C(S(=O)(=O)[O-])=C2 ZINC000150347414 571460744 /nfs/dbraw/zinc/46/07/44/571460744.db2.gz STOOUUMSJPLRNI-IIUHAYLRSA-N -2 0 768.746 9.148 40 10 KKCBRL CC(=O)Nc1ccc(NN=C2C(=O)c3ccc(NC(=O)Nc4ccc5c(c4)C=C(S(=O)(=O)[O-])C(=NNc4ccccc4)C5=O)cc3C=C2S(=O)(=O)[O-])cc1 ZINC000150347503 571460849 /nfs/dbraw/zinc/46/08/49/571460849.db2.gz ICIJDHUPWYQXGB-QHHXFVPXSA-N -2 0 769.774 8.331 40 10 KKCBRL Nc1ccc2ccccc2c1/N=N/c1ccc(/C=C\c2ccc(/N=N\c3c(N)ccc4ccccc43)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1 ZINC000150365715 571464646 /nfs/dbraw/zinc/46/46/46/571464646.db2.gz ANGMGEOZQHWOBK-LBXPJMEZSA-N -2 0 678.752 8.652 40 10 KKCBRL Nc1c(N=Nc2cc(Cl)ccc2Cl)c(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccc(Sc3ccc(NN=C4C=CC(=O)C=C4)cc3)cc1)C(S(=O)(=O)[O-])=C2 ZINC000150366605 571464766 /nfs/dbraw/zinc/46/47/66/571464766.db2.gz XSHXIBNMPNPIGZ-WTRRXMMLSA-N -2 0 824.706 11.031 40 10 KKCBRL COc1cc(/N=N\c2ccc(S(=O)(=O)[O-])cc2)c(C)cc1/N=N/c1cc(S(=O)(=O)[O-])c(NC(=O)c2ccc(N)cc2)cc1NC(C)=O ZINC000150367653 571465085 /nfs/dbraw/zinc/46/50/85/571465085.db2.gz JKNWPYBYAWGWJD-VKSNKJACSA-N -2 0 681.709 6.121 40 10 KKCBRL Cc1cc(N=Nc2ccc(NC(=O)c3ccc(N)cc3)cc2C)ccc1N=Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc(S(=O)(=O)[O-])cc1)c2O ZINC000150367711 571465125 /nfs/dbraw/zinc/46/51/25/571465125.db2.gz WWCSCPADJCGIHC-BJTYESRJSA-N -2 0 778.829 9.736 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(NN=C3C=C(S(=O)(=O)[O-])c4ccccc4C3=O)cc2)ccc1N=Nc1ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2c1 ZINC000150368095 571465223 /nfs/dbraw/zinc/46/52/23/571465223.db2.gz RXKPZLKFMWDJHX-IOJRRVTCSA-N -3 0 775.799 7.830 40 10 KKCBRL CN(C)C(=O)c1ccc(N=Nc2c(N)c(N=Nc3ccc(-c4ccc(NN=C5C=CC(=O)C(C(=O)[O-])=C5)cc4)cc3)cc(S(=O)(=O)[O-])c2N)cc1 ZINC000150368131 571465346 /nfs/dbraw/zinc/46/53/46/571465346.db2.gz JTCAWZZMHMZTFB-KXXMNHFISA-N -2 0 707.729 8.117 40 10 KKCBRL Cc1cc(-c2ccc(/N=N\c3cc(S(=O)(=O)[O-])c4ccccc4c3N)c(C)c2)ccc1/N=N/c1c(N)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])ccc21 ZINC000150386577 571469330 /nfs/dbraw/zinc/46/93/30/571469330.db2.gz LIFWPZLVTZZVLJ-NGHPONOGSA-N -3 0 760.832 8.012 40 10 KKCBRL Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=Nc1ccc(-c2ccc(NN=C3C=CC(=O)C(C(=O)[O-])=C3)c(C)c2)cc1C ZINC000150396804 571476653 /nfs/dbraw/zinc/47/66/53/571476653.db2.gz MKPMKGJHFHXYGK-NTXTUHQMSA-N -3 0 626.651 6.911 40 10 KKCBRL Cc1[n-]n(C(=O)CC(=O)Nc2cccc(C)c2)c(=O)c1N=Nc1ccc(S(=O)(=O)c2ccc(N=Nc3c(C)[n-]n(C(=O)CC(=O)Nc4cccc(C)c4)c3=O)cc2)cc1 ZINC000150448570 571501467 /nfs/dbraw/zinc/50/14/67/571501467.db2.gz CGBQIISCEQELFS-YUPPNRDESA-N -2 0 816.857 5.588 40 10 KKCBRL Cc1cc([N-]S(=O)(=O)c2ccc(/N=N\c3c(C)n(-c4ccc(S(=O)(=O)[N-]c5ccncn5)cc4)nc3Nc3ccccc3)cc2)no1 ZINC000150451373 571502917 /nfs/dbraw/zinc/50/29/17/571502917.db2.gz ZKACPEZNSSVIGA-KNWKATPGSA-N -2 0 670.737 6.028 40 10 KKCBRL CCOC(=O)c1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(-c2ccc(N=Nc3c(=O)n(-c4ccccc4)[n-]c3C(=O)OCC)c(Cl)c2)cc1Cl ZINC000150454272 571503937 /nfs/dbraw/zinc/50/39/37/571503937.db2.gz PLYDMIIYRWUYBP-JODHIVHLSA-N -2 0 739.576 7.497 40 10 KKCBRL Cc1cc(-c2ccc(/N=N\c3c(N)c(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])ccc43)c(C)c2)ccc1/N=N/c1c(N)ccc2cc(S(=O)(=O)[O-])ccc21 ZINC000150454431 571503974 /nfs/dbraw/zinc/50/39/74/571503974.db2.gz OFGVQLJUXSRVEG-NVXIXPEWSA-N -3 0 760.832 8.012 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(C=Cc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)C=CC1=O ZINC000150468324 571508479 /nfs/dbraw/zinc/50/84/79/571508479.db2.gz JYKFGONUYXGBJT-NZPQWMAWSA-N -4 0 668.618 5.989 40 10 KKCBRL Nc1ccc(/N=N\c2ccc(-c3ccc(/N=N\c4ccc(N)c5cc(S(=O)(=O)[O-])ccc45)cc3)cc2)c2ccc(S(=O)(=O)[O-])cc12 ZINC000150475567 571510714 /nfs/dbraw/zinc/51/07/14/571510714.db2.gz ICGRLKBLKOYWSO-JXPYRENWSA-N -2 0 652.714 8.149 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(N)cc2)ccc1N=Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc(Cl)c(S(=O)(=O)[O-])c1)c2O ZINC000150475548 571510735 /nfs/dbraw/zinc/51/07/35/571510735.db2.gz IVGQIOQQLWMTMG-IRBDSUPESA-N -2 0 695.135 7.666 40 10 KKCBRL Nc1cccc(NN=C2C(=O)c3ccc(NC(=O)Nc4ccc5c(c4)C=C(S(=O)(=O)[O-])C(=NNc4cccc(N)c4)C5=O)cc3C=C2S(=O)(=O)[O-])c1 ZINC000150476926 571511048 /nfs/dbraw/zinc/51/10/48/571511048.db2.gz PBUWOKNWPFTLNR-YGJLQQOCSA-N -2 0 742.752 7.537 40 10 KKCBRL CCOc1ccc(N=Nc2ccc(-c3ccc(NN=C4C(=O)C=Cc5cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c54)cc3)cc2)cc1 ZINC000150476883 571511068 /nfs/dbraw/zinc/51/10/68/571511068.db2.gz WFDQLHCSKAIOER-QUVVFHLXSA-N -2 0 632.676 7.935 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(-c3ccc(N=Nc4ccc(NN=C5C=CC(=O)C(C(=O)[O-])=C5)c5cc(S(=O)(=O)[O-])ccc45)cc3)cc2)C=CC1=O ZINC000150478988 571511508 /nfs/dbraw/zinc/51/15/08/571511508.db2.gz AUTINFVSBXCWKB-SFIXCQEASA-N -3 0 716.688 9.807 40 10 KKCBRL Cc1cc(-c2ccc(NN=C3C(=O)c4c(N)cc(S(=O)(=O)[O-])cc4C=C3S(=O)(=O)[O-])c(C)c2)ccc1NN=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O ZINC000150478961 571511558 /nfs/dbraw/zinc/51/15/58/571511558.db2.gz NOFURVVUAXWPPB-PKJKGCPLSA-N -3 0 777.815 7.841 40 10 KKCBRL Cc1cc(-c2ccc(NN=C3C(=O)c4c(N)cc(S(=O)(=O)[O-])cc4C=C3S(=O)(=O)[O-])c(C)c2)ccc1NN=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O ZINC000150478964 571511585 /nfs/dbraw/zinc/51/15/85/571511585.db2.gz NOFURVVUAXWPPB-VAXAQTQESA-N -3 0 777.815 7.841 40 10 KKCBRL Cc1ccccc1N=Nc1ccc(NN=C2C(=O)c3c(N)c(N=Nc4ccc([N+](=O)[O-])cc4)c(S(=O)(=O)[O-])cc3C=C2S(=O)(=O)[O-])c(C)c1 ZINC000150485395 571515783 /nfs/dbraw/zinc/51/57/83/571515783.db2.gz CLJQREPWTVFCEV-RFWSAXQQSA-N -2 0 704.703 8.392 40 10 KKCBRL Cc1cc(/N=N\c2ccc(NC(=O)c3ccc(N)cc3)cc2C)ccc1/N=N/c1ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2c1 ZINC000150485404 571515789 /nfs/dbraw/zinc/51/57/89/571515789.db2.gz ZNQZPVZEOOADIY-QYQVJVQQSA-N -2 0 658.718 7.615 40 10 KKCBRL Cc1cc(N=Nc2ccc(Sc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc2)c1N ZINC000150485539 571515857 /nfs/dbraw/zinc/51/58/57/571515857.db2.gz JUBYYWGZHFFWRG-XZQFNUCASA-N -2 0 786.856 11.623 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(OCC(=O)[O-])cc2)c1N ZINC000150485473 571515956 /nfs/dbraw/zinc/51/59/56/571515956.db2.gz KYJROOFWCNDAMI-XSPVDOFASA-N -2 0 644.648 8.940 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)[O-])cc3)cc2)c1N ZINC000150485596 571516080 /nfs/dbraw/zinc/51/60/80/571516080.db2.gz ZFFXGMZEQZCKFS-SXFLOCMRSA-N -2 0 769.800 9.975 40 10 KKCBRL COc1cc(NC(=O)c2ccc(NC(=O)c3ccc(N)cc3)cc2)c(OC)cc1/N=N\c1cc(C)c(/N=N/c2cc3c(cccc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)cc1C ZINC000150485626 571516116 /nfs/dbraw/zinc/51/61/16/571516116.db2.gz VLUCSPTXKDMVQJ-YHPDGLRNSA-N -2 0 837.893 8.885 40 10 KKCBRL O=C1c2ccc(Nc3ccccc3)cc2C=C(S(=O)(=O)[O-])C1=NNc1ccc(-c2ccc(NN=C3C(=O)c4ccc(S(=O)(=O)[O-])cc4C=C3S(=O)(=O)[O-])cc2)cc1 ZINC000150629647 571523987 /nfs/dbraw/zinc/52/39/87/571523987.db2.gz XKXJRPAWMFZKDW-IXGCDMPMSA-N -3 0 825.859 9.386 40 10 KKCBRL Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])c(C(=O)[O-])c2)c(=O)c1N=Nc1ccc(C(=O)Nc2ccc(-n3c(=O)c4ccccc4nc3-c3ccccc3)cc2)cc1 ZINC000150636557 571524300 /nfs/dbraw/zinc/52/43/00/571524300.db2.gz CYKVYAZCHHMRDE-VTTDFFIKSA-N -3 0 741.742 6.125 40 10 KKCBRL O=C1C=CC(=NNc2ccc([C@@H](c3ccc(NN=C4C(=O)C=Cc5cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c54)cc3)C3CCCCC3)cc2)C=C1 ZINC000150643624 571524857 /nfs/dbraw/zinc/52/48/57/571524857.db2.gz IRYHBCRRNRAQKP-JFELJQIMSA-N -2 0 700.795 9.287 40 10 KKCBRL CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OCc4ccc(C(=O)[O-])cc4)cc3Br)C2=O)c1 ZINC000164321490 571545625 /nfs/dbraw/zinc/54/56/25/571545625.db2.gz YLBQZQDEWPWPOK-CIAFOILYSA-N -2 0 639.455 5.199 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2I)cc1 ZINC000164326508 571545902 /nfs/dbraw/zinc/54/59/02/571545902.db2.gz JUZRJPCHQSVXGY-KKMKTNMSSA-N -2 0 781.441 7.465 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Br)cc1 ZINC000164446538 571547602 /nfs/dbraw/zinc/54/76/02/571547602.db2.gz MIMXGUSIFJSZAR-GIJQJNRQSA-N -2 0 679.115 5.918 40 10 KKCBRL Nc1ccc(N=Nc2ccc(-c3ccc(N=Nc4c(N)c5c(cc4S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C(=NNc4ccccc4)C5=O)cc3)cc2)c(N)c1 ZINC000263592963 572126983 /nfs/dbraw/zinc/12/69/83/572126983.db2.gz ATFARZXNCCWOKJ-UHFFFAOYSA-N -2 0 737.780 8.699 40 10 KKCBRL O=c1c(NN=C2C=C([N+](=O)[O-])C=C([N+](=O)[O-])C2=O)cc(=NNc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(O)c32)c(=O)c1=NNc1ccc([N+](=O)[O-])cc1 ZINC000263595370 572127539 /nfs/dbraw/zinc/12/75/39/572127539.db2.gz DLFQBOOBABMDKU-UHFFFAOYSA-N -2 0 799.625 7.126 40 10 KKCBRL CCn1c(S/C(=C\c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408631364 572287413 /nfs/dbraw/zinc/28/74/13/572287413.db2.gz DNARMWPWKPUHLH-HMAPJEAMSA-N -2 0 523.014 5.942 40 10 KKCBRL Cc1ccc(N=Nc2c(O)c3ccc4nc(-c5ccccc5N)sc4c3cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1 ZINC000257347241 572320758 /nfs/dbraw/zinc/32/07/58/572320758.db2.gz BGUKJQQIZFNBHK-UHFFFAOYSA-N -2 0 570.630 5.622 40 10 KKCBRL CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(OCC)c3)C2=O)c1 ZINC000408851173 1070065491 /nfs/dbraw/zinc/06/54/91/1070065491.db2.gz WBHQCRSKDBKFFZ-LPYMAVHISA-N -2 0 609.031 5.480 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408857840 1070068969 /nfs/dbraw/zinc/06/89/69/1070068969.db2.gz WXULBIISNVZNNX-WSDLNYQXSA-N -2 0 548.979 5.299 40 10 KKCBRL Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408854752 1070073176 /nfs/dbraw/zinc/07/31/76/1070073176.db2.gz ARGWUKJOCUIYIV-VXLYETTFSA-N -2 0 556.800 5.183 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408938527 1070295704 /nfs/dbraw/zinc/29/57/04/1070295704.db2.gz KUBBBMFWCMMUNW-VXLYETTFSA-N -2 0 585.794 5.055 40 10 KKCBRL O=C([O-])c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000409192570 1070610491 /nfs/dbraw/zinc/61/04/91/1070610491.db2.gz FBBHCPUMWCVBOS-SRZZPIQSSA-N -2 0 550.423 5.526 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408947077 1071263202 /nfs/dbraw/zinc/26/32/02/1071263202.db2.gz ZKVZVENELVWPMZ-DJKKODMXSA-N -2 0 634.266 6.098 40 10 KKCBRL O=C([O-])COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408946798 1071265121 /nfs/dbraw/zinc/26/51/21/1071265121.db2.gz BCKAYQYWGWBOED-FOKLQQMPSA-N -2 0 579.447 5.047 40 10 KKCBRL O=C1c2ncccc2C(S(=O)(=O)[O-])=CC1=NNc1ccc(C=Cc2ccc(NN=C3C=C(S(=O)(=O)[O-])c4cccnc4C3=O)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1 ZINC000263609777 1071324637 /nfs/dbraw/zinc/32/46/37/1071324637.db2.gz VLBUREFUMKMJDK-OXDKPQIESA-N -4 0 842.824 6.182 40 10 KKCBRL Cc1cc(-c2ccc(NN=C3c4ccc(S(=O)(=O)[O-])cc4C=C(S(=O)(=O)[O-])C3=O)c(C)c2)ccc1NN=C1C(=O)C=Cc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c21 ZINC000263610775 1071324675 /nfs/dbraw/zinc/32/46/75/1071324675.db2.gz WMHOWGRQOZTCBH-UHFFFAOYSA-N -4 0 842.864 7.506 40 10 KKCBRL Cc1cc(NS(=O)(=O)c2ccc(NN=C3C=C(S(=O)(=O)[O-])c4ccccc4C3=O)cc2)ccc1N=Nc1ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2c1 ZINC000263594112 1071323029 /nfs/dbraw/zinc/32/30/29/1071323029.db2.gz CAPUKKXZBLZOGG-UHFFFAOYSA-N -3 0 811.854 7.379 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408938573 1071331072 /nfs/dbraw/zinc/33/10/72/1071331072.db2.gz LAAASSQPUVAVFC-VXLYETTFSA-N -2 0 585.794 5.055 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408938439 1071332747 /nfs/dbraw/zinc/33/27/47/1071332747.db2.gz QPJDJBAHPWWDNY-YBFXNURJSA-N -2 0 646.821 5.287 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408948424 1071364833 /nfs/dbraw/zinc/36/48/33/1071364833.db2.gz RNOKKWYNGLUXOO-CAOOACKPSA-N -2 0 548.835 5.584 40 10 KKCBRL Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1ccc(OC(=O)c2cccc(Br)c2)cc1 ZINC000408986536 1071489419 /nfs/dbraw/zinc/48/94/19/1071489419.db2.gz MSUPVBONSVCAOU-UHFFFAOYSA-N -2 0 635.518 7.248 40 10 KKCBRL Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1cccc(OC(=O)c2cccc(Cl)c2)c1 ZINC000408984570 1071508916 /nfs/dbraw/zinc/50/89/16/1071508916.db2.gz JBQJDLAKMNZMME-UHFFFAOYSA-N -2 0 591.067 7.139 40 10 KKCBRL COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408982021 1071530001 /nfs/dbraw/zinc/53/00/01/1071530001.db2.gz FFPVGSKOZSCAPP-OCKHKDLRSA-N -2 0 646.821 5.205 40 10 KKCBRL O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Br)c4)C3=O)cc2I)cc1 ZINC000408994769 1071556850 /nfs/dbraw/zinc/55/68/50/1071556850.db2.gz IXCLKUMNGMMBOU-QGMBQPNBSA-N -2 0 789.183 5.767 40 10 KKCBRL CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)c1 ZINC000408993748 1071563645 /nfs/dbraw/zinc/56/36/45/1071563645.db2.gz FMZONOCADKUDKW-KEBDBYFISA-N -2 0 738.272 5.238 40 10 KKCBRL O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2I)cc1 ZINC000409001038 1071647552 /nfs/dbraw/zinc/64/75/52/1071647552.db2.gz ZZYAKJXEDNKUNB-FRKPEAEDSA-N -2 0 763.109 6.146 40 10 KKCBRL Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)C2=O)ccc1Br ZINC000408753231 1071659109 /nfs/dbraw/zinc/65/91/09/1071659109.db2.gz FQNZHLDZNBVNRX-GIJQJNRQSA-N -2 0 604.240 6.008 40 10 KKCBRL Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)c1C ZINC000408998003 1071661660 /nfs/dbraw/zinc/66/16/60/1071661660.db2.gz PTUNEFKYLVVCBN-VXLYETTFSA-N -2 0 722.273 5.456 40 10 KKCBRL CCOc1cccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)[N-]C2=S)c1 ZINC000408997390 1071664927 /nfs/dbraw/zinc/66/49/27/1071664927.db2.gz OCQFCIHSEZTJIF-KEBDBYFISA-N -2 0 754.340 5.403 40 10 KKCBRL Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)ccc1Br ZINC000408764715 1071726928 /nfs/dbraw/zinc/72/69/28/1071726928.db2.gz JUZGOQOVTVIBAQ-YBFXNURJSA-N -2 0 614.246 5.464 40 10 KKCBRL O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)cc2I)cc1 ZINC000408773257 1071768782 /nfs/dbraw/zinc/76/87/82/1071768782.db2.gz HRMMQHBQFIGEQN-MHWRWJLKSA-N -2 0 637.213 5.542 40 10 KKCBRL O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Cl)cc4)C3=O)cc2I)cc1 ZINC000408768908 1071797836 /nfs/dbraw/zinc/79/78/36/1071797836.db2.gz LONHLIZMRQQWOV-YBFXNURJSA-N -2 0 618.836 5.053 40 10 KKCBRL O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4Cl)C3=O)cc2)c1 ZINC000408786562 1071849690 /nfs/dbraw/zinc/84/96/90/1071849690.db2.gz KSHOQZIOOHYPIL-LDADJPATSA-N -2 0 527.385 5.102 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409067030 1071999180 /nfs/dbraw/zinc/99/91/80/1071999180.db2.gz ORRQZTVFXNYTSS-JVWAILMASA-N -2 0 718.500 6.213 40 10 KKCBRL CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(OCC)c3)C2=O)cc1 ZINC000409075400 1072059695 /nfs/dbraw/zinc/05/96/95/1072059695.db2.gz YFBKSKFYKDJCCY-LPYMAVHISA-N -2 0 656.429 5.032 40 10 KKCBRL Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C1=O ZINC000409070431 1072096751 /nfs/dbraw/zinc/09/67/51/1072096751.db2.gz GGSGISQVOYZANN-QGMBQPNBSA-N -2 0 648.691 6.117 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409069713 1072099654 /nfs/dbraw/zinc/09/96/54/1072099654.db2.gz VNIDLVMYUFAREN-DJKKODMXSA-N -2 0 555.370 5.254 40 10 KKCBRL O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Br)cc1 ZINC000409069573 1072101070 /nfs/dbraw/zinc/10/10/70/1072101070.db2.gz LPKKQEBDFDAFPS-RQZCQDPDSA-N -2 0 590.213 5.700 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Cl)cc1 ZINC000409068371 1072113082 /nfs/dbraw/zinc/11/30/82/1072113082.db2.gz GAONUEKBMZSWOY-QGMBQPNBSA-N -2 0 545.762 5.590 40 10 KKCBRL Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1Cl ZINC000409068747 1072108741 /nfs/dbraw/zinc/10/87/41/1072108741.db2.gz HTOXQLQVDPUPOX-DJKKODMXSA-N -2 0 648.691 6.117 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000409067714 1072116206 /nfs/dbraw/zinc/11/62/06/1072116206.db2.gz QXKRPLRZVXXLIF-VXLYETTFSA-N -2 0 634.664 5.809 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409067639 1072117001 /nfs/dbraw/zinc/11/70/01/1072117001.db2.gz QGARENHEIKFNEB-MTDXEUNCSA-N -2 0 592.604 5.608 40 10 KKCBRL CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C2=O)cc1OC ZINC000409122803 1072419908 /nfs/dbraw/zinc/41/99/08/1072419908.db2.gz BVKRXJFYGVKWQG-WSDLNYQXSA-N -2 0 700.482 5.036 40 10 KKCBRL CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000409128447 1072525228 /nfs/dbraw/zinc/52/52/28/1072525228.db2.gz OVGHCDOPEXXVSM-HZHRSRAPSA-N -2 0 623.456 5.186 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387047 1072683539 /nfs/dbraw/zinc/68/35/39/1072683539.db2.gz SRQJBTFGGZNDRA-XDHOZWIPSA-N -2 0 540.066 5.217 40 10 KKCBRL Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409386704 1072684470 /nfs/dbraw/zinc/68/44/70/1072684470.db2.gz RLKSZRIMTIEKBN-XDHOZWIPSA-N -2 0 582.476 5.470 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409384518 1072697925 /nfs/dbraw/zinc/69/79/25/1072697925.db2.gz DBVKPIJGNHEZJH-YBFXNURJSA-N -2 0 540.066 5.217 40 10 KKCBRL CCc1ccc(N2C(=O)/C(=C/c3c(OCc4ccc(C(=O)[O-])cc4)ccc4ccccc43)C(=O)[N-]C2=S)cc1 ZINC000409379940 1072721311 /nfs/dbraw/zinc/72/13/11/1072721311.db2.gz CSCAWIPPYWVQEO-YZSQISJMSA-N -2 0 536.609 5.511 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387903 1072740832 /nfs/dbraw/zinc/74/08/32/1072740832.db2.gz YETDGZAKESEKOS-FYJGNVAPSA-N -2 0 533.675 5.181 40 10 KKCBRL Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387381 1072744272 /nfs/dbraw/zinc/74/42/72/1072744272.db2.gz WHCODYHTWHOTDN-FYJGNVAPSA-N -2 0 517.607 5.016 40 10 KKCBRL CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)cc1OCC ZINC000409194189 1072845623 /nfs/dbraw/zinc/84/56/23/1072845623.db2.gz OEIFQTDIRLJVMR-OEAKJJBVSA-N -2 0 637.483 5.576 40 10 KKCBRL O=C([O-])c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc5ccccc5c4)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000409194136 1072845663 /nfs/dbraw/zinc/84/56/63/1072845663.db2.gz OGXFSCOHUQNKSC-WGOQTCKBSA-N -2 0 531.593 5.372 40 10 KKCBRL CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1OCC ZINC000409194006 1072846471 /nfs/dbraw/zinc/84/64/71/1072846471.db2.gz KFSKDTMVDQBXND-OEAKJJBVSA-N -2 0 716.379 6.338 40 10 KKCBRL CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C2=O)cc1OCC ZINC000409190022 1072871391 /nfs/dbraw/zinc/87/13/91/1072871391.db2.gz USPZRRFGMAHKHI-YDZHTSKRSA-N -2 0 667.509 5.584 40 10 KKCBRL O=C1c2c(cccc2S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C1=NNc1ccc(N=Nc2ccccc2)cc1 ZINC000004803998 552486960 /nfs/dbraw/zinc/48/69/60/552486960.db2.gz JSULGLNYTBQZQY-QSZPNPOGSA-N -2 0 512.525 5.870 40 10 KKCBRL O=C(Nc1ccc2cc(S(=O)(=O)[O-])ccc2c1)c1ccc(NN=C2C=C(S(=O)(=O)[O-])c3ccccc3C2=O)cc1 ZINC000004804179 552487282 /nfs/dbraw/zinc/48/72/82/552487282.db2.gz YTRLKPMFDHYCRN-QVIHXGFCSA-N -2 0 577.596 5.860 40 10 KKCBRL O=C1C=CC(=NNc2ccc(S(=O)(=O)[O-])cc2)C(N=NC2=CC(=O)C=CC2=NNc2ccc(S(=O)(=O)[O-])cc2)=C1 ZINC000006507099 552596702 /nfs/dbraw/zinc/59/67/02/552596702.db2.gz UFDBSDOISIRFAX-BHYDKEGGSA-N -2 0 582.576 6.837 40 10 KKCBRL Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccc(-c3ccc(NN=C4C=CC(=O)C=C4C(=O)[O-])cc3)cc1)C(S(=O)(=O)[O-])=C2 ZINC000095101019 553699854 /nfs/dbraw/zinc/69/98/54/553699854.db2.gz SLEFEVNMCGIYOQ-FHJKABMISA-N -3 0 812.755 8.846 40 10 KKCBRL O=S(=O)([O-])c1cc([O-])c2c(c1)cc(S(=O)(=O)[O-])cc2N=Nc1ccc(N=Nc2c(O)c3ccc(Nc4ccccc4)cc3cc2S(=O)(=O)[O-])c2ccccc12 ZINC000095101014 553699918 /nfs/dbraw/zinc/69/99/18/553699918.db2.gz LINZZVAECORMOM-QYGUTFKISA-N -4 0 799.821 8.872 40 10 KKCBRL Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(N=Cc2c(C)[n-]n(-c3ccc(Cl)cc3)c2=O)c([N+](=O)[O-])c1 ZINC000100922817 554522700 /nfs/dbraw/zinc/52/27/00/554522700.db2.gz CUVCJBIVTDIURC-OZEVPFDHSA-N -2 0 590.427 6.339 40 10 KKCBRL Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000100962761 554542810 /nfs/dbraw/zinc/54/28/10/554542810.db2.gz ZMEOCYXCICBVHC-LGJNPRDNSA-N -2 0 601.501 5.783 40 10 KKCBRL Cc1[n-]n(C(=O)CC(=O)Nc2cccc(Cl)c2)c(=O)c1N=Nc1ccc(S(=O)(=O)c2ccc(N=Nc3c(C)[n-]n(C(=O)CC(=O)Nc4cccc(Cl)c4)c3=O)cc2)cc1 ZINC000150448519 562843432 /nfs/dbraw/zinc/84/34/32/562843432.db2.gz WNXIJIPKGDMBAN-KCOQNEMNSA-N -2 0 857.693 6.278 40 10 KKCBRL CCO[P@](=O)([O-])[C@H](Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc([C@@H](Nc2ccc(/N=N/c3ccccc3)cc2)[P@@](=O)([O-])OCC)cc1 ZINC000150448685 562843436 /nfs/dbraw/zinc/84/34/36/562843436.db2.gz JNPLCGCDHLGTLQ-OMLFTCRWSA-N -2 0 712.684 11.183 40 10 KKCBRL CC(=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1 ZINC000103921259 571369648 /nfs/dbraw/zinc/36/96/48/571369648.db2.gz ZMPWCWFCJCFQLK-UQQQWYQISA-N -2 0 602.101 5.678 40 10 KKCBRL CC(=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1c(=O)n(-c2ccc(F)cc2)[n-]c1-c1ccccc1 ZINC000103921225 571369763 /nfs/dbraw/zinc/36/97/63/571369763.db2.gz XSVOLASTBQFGQW-XHPQRKPJSA-N -2 0 527.581 5.159 40 10 KKCBRL COc1ccc(-c2[n-]n(-c3ccc(OC)cc3)c(=O)c2C(C)=Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)nn3)cc2)cc1 ZINC000103922720 571369980 /nfs/dbraw/zinc/36/99/80/571369980.db2.gz KMSSMEYSCSNDRP-IMRQLAEWSA-N -2 0 605.076 5.085 40 10 KKCBRL Cc1cc(C)c(N=NC2=CC(=[NH+][N-]c3c(C)cc(C)cc3S(=O)(=O)[O-])c3ccccc3C2=O)c(S(=O)(=O)[O-])c1 ZINC000104045395 571371717 /nfs/dbraw/zinc/37/17/17/571371717.db2.gz FKLXKNMPDFTFPS-SWGBCSPSSA-N -2 0 568.633 7.103 40 10 KKCBRL Cc1cc(N)ccc1/N=N/c1ccc(/N=N\c2ccc3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c3c2)c(C)c1 ZINC000104050421 571371847 /nfs/dbraw/zinc/37/18/47/571371847.db2.gz QZLVDWCKLZRIRS-ZTCSZMBZSA-N -2 0 539.595 6.363 40 10 KKCBRL Cc1ccc(N=Nc2c(N)c(C)cc(N=Nc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)c2N)c(S(=O)(=O)[O-])c1 ZINC000104050462 571371855 /nfs/dbraw/zinc/37/18/55/571371855.db2.gz YQRCCACEVOHSDF-UNRHADLTSA-N -2 0 588.606 7.365 40 10 KKCBRL O=C([O-])c1cc(OC(=O)Oc2ccc(/N=N\c3ccccc3)c(C(=O)[O-])c2)ccc1/N=N/c1ccccc1 ZINC000104085217 571372903 /nfs/dbraw/zinc/37/29/03/571372903.db2.gz NTVYSWOBWJLZBN-OAZKENCHSA-N -2 0 510.462 7.492 40 10 KKCBRL Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc(-c3ccc(NN=C4C=CC(=O)C=C4S(=O)(=O)[O-])cc3)cc1)c2O ZINC000104221492 571377093 /nfs/dbraw/zinc/37/70/93/571377093.db2.gz LBGIGKKBCWDMBD-DPNLOZQFSA-N -2 0 619.637 6.824 40 10 KKCBRL Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc(-c3ccc(NN=C4C=CC(=O)C=C4S(=O)(=O)[O-])cc3)cc1)c2O ZINC000104221488 571377108 /nfs/dbraw/zinc/37/71/08/571377108.db2.gz LBGIGKKBCWDMBD-QTDLIUEZSA-N -2 0 619.637 6.824 40 10 KKCBRL Cc1c(N=Nc2cc(N=Nc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)c(N)cc2N)cccc1S(=O)(=O)[O-] ZINC000104337929 571379318 /nfs/dbraw/zinc/37/93/18/571379318.db2.gz BFOIOBIKWZUYAS-SPNGBZLVSA-N -2 0 574.579 7.056 40 10 KKCBRL COc1cc(N=Nc2ccc(S(=O)(=O)[O-])cc2)ccc1NN=C1C=Cc2c(cccc2S(=O)(=O)[O-])C1=O ZINC000104389059 571379919 /nfs/dbraw/zinc/37/99/19/571379919.db2.gz KSZLXLWAIZSTTP-RNDSACKQSA-N -2 0 542.551 5.878 40 10 KKCBRL O=C1C=C([O-])C=CC1=NNc1ccc(C=Cc2ccc(NN=C3C=CC([O-])=CC3=O)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1 ZINC000104389506 571379939 /nfs/dbraw/zinc/37/99/39/571379939.db2.gz GLVLQKSQNZQNGF-ZFFYKNBQSA-N -4 0 612.598 6.004 40 10 KKCBRL COc1ccccc1NN=C1C(=O)c2c(N)c(N=Nc3ccc([N+](=O)[O-])cc3)c(S(=O)(=O)[O-])cc2C=C1S(=O)(=O)[O-] ZINC000104389458 571379972 /nfs/dbraw/zinc/37/99/72/571379972.db2.gz UOCOMQICCFXDGK-ZQZMJUSDSA-N -2 0 602.563 5.369 40 10 KKCBRL Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=Nc1ccc(-c2ccc(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)c(S(=O)(=O)[O-])c2)cc1 ZINC000150339428 571457393 /nfs/dbraw/zinc/45/73/93/571457393.db2.gz VIMSRKLHXNUATO-KXIIVSEMSA-N -3 0 788.842 7.214 40 10 KKCBRL CC(=O)Nc1ccc(NN=C2C(=O)c3ccc(NC(=O)Nc4ccc5c(c4)C=C(S(=O)(=O)[O-])C(=NNc4ccccc4)C5=O)cc3C=C2S(=O)(=O)[O-])cc1 ZINC000150347504 571460918 /nfs/dbraw/zinc/46/09/18/571460918.db2.gz ICIJDHUPWYQXGB-ITRZRYQLSA-N -2 0 769.774 8.331 40 10 KKCBRL COc1cc(-c2ccc(NN=C3c4ccccc4C=CC3=O)c(OC)c2)ccc1NN=C1C=Cc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c2C1=O ZINC000150349979 571461687 /nfs/dbraw/zinc/46/16/87/571461687.db2.gz NPKFSFQEYLFRPM-NFSGFYSESA-N -2 0 729.749 7.995 40 10 KKCBRL Cc1cc(-c2ccc(NN=C3C(=O)c4c(cccc4S(=O)(=O)[O-])C=C3S(=O)(=O)[O-])c(C)c2)ccc1NN=C1C=Cc2c(S(=O)(=O)[O-])ccc(N)c2C1=O ZINC000150366661 571464838 /nfs/dbraw/zinc/46/48/38/571464838.db2.gz YVWGWDRWIHADMC-PKJKGCPLSA-N -3 0 777.815 7.841 40 10 KKCBRL COc1cc(/N=N\c2ccc(/N=N/c3ccc4cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4c3)c(C)c2)c(C)cc1NC(=O)c1ccc(NC(=O)c2ccc(N)cc2)cc1 ZINC000150366777 571464850 /nfs/dbraw/zinc/46/48/50/571464850.db2.gz XGVKTMKQXKPGMN-ZIBHNJFKSA-N -2 0 807.867 8.876 40 10 KKCBRL Cc1[n-]n(-c2cc(S(=O)(=O)[O-])ccc2Cl)c(=O)c1N=Nc1c(NC(=O)c2ccc(N)cc2)ccc2cc(S(=O)(=O)[O-])ccc21 ZINC000150366746 571464864 /nfs/dbraw/zinc/46/48/64/571464864.db2.gz XMUMIXMQJZWGMT-QNEJGDQOSA-N -3 0 657.086 5.436 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2cccc(OCC(=O)[O-])c2)c1N ZINC000150366726 571464880 /nfs/dbraw/zinc/46/48/80/571464880.db2.gz GNCDAYFWWYGONF-SFIXCQEASA-N -2 0 644.648 8.940 40 10 KKCBRL Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(-c2ccc(N=Nc3c(Nc4ccccc4)ccc4cc(S(=O)(=O)[O-])cc(O)c43)cc2)cc1 ZINC000150366766 571464875 /nfs/dbraw/zinc/46/48/75/571464875.db2.gz NSBAFKVLNXVWEI-IXGCDMPMSA-N -2 0 695.761 10.233 40 10 KKCBRL Cc1cc(C)c(N=Nc2c(O)c3ccc(N=Nc4ccc(NC(=O)c5ccc(N)cc5)cc4C)cc3cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1 ZINC000150367672 571465121 /nfs/dbraw/zinc/46/51/21/571465121.db2.gz FONSAFAAZUIRET-JKWOPUAESA-N -2 0 688.744 7.629 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(N)cc2)ccc1N=Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc(S(=O)(=O)[O-])cc1C)c2O ZINC000150367660 571465153 /nfs/dbraw/zinc/46/51/53/571465153.db2.gz WUSSEEVJEVNPAB-KSHGJJROSA-N -2 0 674.717 7.321 40 10 KKCBRL Cc1cc(N=Nc2ccc(C(N)=O)cc2)c(N)c(N=Nc2ccc(NN=C3C=C(C(=O)[O-])C(=O)C(S(=O)(=O)[O-])=C3)c(C)c2)c1N ZINC000150367921 571465178 /nfs/dbraw/zinc/46/51/78/571465178.db2.gz POMOQOVZVRKHAM-AUUDECTDSA-N -2 0 631.631 6.463 40 10 KKCBRL CC(=O)Nc1cc(/N=N\c2ccc(/N=N/c3ccc(NC(=O)c4ccc(N)cc4)cc3C)cc2C)c(S(=O)(=O)[O-])cc1/N=N\c1ccc(C(=O)[O-])cc1 ZINC000150368175 571465289 /nfs/dbraw/zinc/46/52/89/571465289.db2.gz OAJCTSVBUFGJTF-KVCHSFQZSA-N -2 0 733.767 9.287 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C(=O)c5c(N)c(N=Nc6cc(Cl)ccc6Cl)c(S(=O)(=O)[O-])cc5C=C4S(=O)(=O)[O-])cc3)cc2)c(N)cc1N ZINC000150368164 571465300 /nfs/dbraw/zinc/46/53/00/571465300.db2.gz FIXQRTWLTDSZRN-KYEMONKMSA-N -2 0 820.697 10.314 40 10 KKCBRL O=C([O-])c1ccc(NC(=O)CCCCCN2C(=O)/C(=C3\SC(=S)N(CCCCCC(=O)Nc4ccc(C(=O)[O-])c(O)c4)C3=O)SC2=S)cc1O ZINC000150415184 571485308 /nfs/dbraw/zinc/48/53/08/571485308.db2.gz SZDIJESPBXIMGJ-OCEACIFDSA-N -2 0 760.894 5.124 40 10 KKCBRL CCOC(=O)c1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(-c2ccc(N=Nc3c(=O)n(-c4ccccc4)[n-]c3C(=O)OCC)c(Cl)c2)cc1Cl ZINC000150454274 571503967 /nfs/dbraw/zinc/50/39/67/571503967.db2.gz PLYDMIIYRWUYBP-PINGYRIKSA-N -2 0 739.576 7.497 40 10 KKCBRL CCOc1cc(-c2ccc(NN=C3C(=O)c4cc(N)ccc4C=C3S(=O)(=O)[O-])cc2)ccc1N=Nc1c(O)c2cc(N)ccc2cc1S(=O)(=O)[O-] ZINC000150474857 571510683 /nfs/dbraw/zinc/51/06/83/571510683.db2.gz PTQVNAIKTPZSKK-NVXIXPEWSA-N -2 0 728.765 7.959 40 10 KKCBRL O=C(Nc1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1)Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc3cc(S(=O)(=O)[O-])ccc3c1)c2O ZINC000150475560 571510685 /nfs/dbraw/zinc/51/06/85/571510685.db2.gz HIVSSNOQZTVJKW-KNWKATPGSA-N -3 0 738.734 6.357 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(N)cc2)ccc1N=Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc(Cl)c(S(=O)(=O)[O-])c1)c2O ZINC000150475555 571510715 /nfs/dbraw/zinc/51/07/15/571510715.db2.gz IVGQIOQQLWMTMG-QYQVJVQQSA-N -2 0 695.135 7.666 40 10 KKCBRL Cc1ccc(N=Nc2ccc(N=Nc3c(O)c4ccc(Nc5ccccc5)cc4cc3S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])ccc23)cc1 ZINC000150475587 571510718 /nfs/dbraw/zinc/51/07/18/571510718.db2.gz XUTMNRPZAMMJOA-HSXOZYESSA-N -2 0 667.725 9.075 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(-c3ccc(NN=c4ccc(=O)c(=NNc5ccc(S(=O)(=O)[O-])c6ccccc56)c4=O)cc3)cc2)C=CC1=O ZINC000150476993 571511061 /nfs/dbraw/zinc/51/10/61/571511061.db2.gz NMPIFMYZEIQYPQ-SZVKHLHBSA-N -2 0 688.678 9.815 40 10 KKCBRL Nc1ccc(N=Nc2ccc(N=Nc3ccc(NN=C4C=C(S(=O)(=O)[O-])c5ccccc5C4=O)c4ccc(S(=O)(=O)[O-])cc34)c3ccc(S(=O)(=O)[O-])cc23)cc1 ZINC000150477011 571511229 /nfs/dbraw/zinc/51/12/29/571511229.db2.gz UVICFDGLFOZKOQ-HNIFGGMNSA-N -3 0 811.836 9.420 40 10 KKCBRL Nc1cccc(NN=C2C(=O)c3ccc(Nc4ccc5c(c4)C=C(S(=O)(=O)[O-])C(=NNc4cccc(N)c4)C5=O)cc3C=C2S(=O)(=O)[O-])c1 ZINC000150478953 571511517 /nfs/dbraw/zinc/51/15/17/571511517.db2.gz LLKHTJLAXJEXHT-WVCCOWEBSA-N -2 0 699.727 7.636 40 10 KKCBRL Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(NN=C3C=CC(=C4C=CC(=O)C=C4)C=C3)c(O)c12 ZINC000150485097 571515617 /nfs/dbraw/zinc/51/56/17/571515617.db2.gz RGYWIKUGSVUCPT-DPNLOZQFSA-N -2 0 664.634 6.733 40 10 KKCBRL O=C(Nc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1)c1ccc(NN=C2C(=O)C(S(=O)(=O)[O-])=Cc3cc(S(=O)(=O)[O-])ccc32)cc1 ZINC000150485115 571515636 /nfs/dbraw/zinc/51/56/36/571515636.db2.gz OFCRITMYKPPMQY-QUVVFHLXSA-N -3 0 711.712 6.369 40 10 KKCBRL O=C(Nc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1)c1ccc(NN=C2C=C(S(=O)(=O)[O-])c3ccccc3C2=O)cc1 ZINC000150485382 571515746 /nfs/dbraw/zinc/51/57/46/571515746.db2.gz REMRICIEHNMMRH-HSBKYFPUSA-N -2 0 631.648 7.122 40 10 KKCBRL O=C(Nc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1)c1ccc(NN=C2C=C(S(=O)(=O)[O-])c3ccccc3C2=O)cc1 ZINC000150485374 571515776 /nfs/dbraw/zinc/51/57/76/571515776.db2.gz REMRICIEHNMMRH-DRCJXRCRSA-N -2 0 631.648 7.122 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(NN=C5C=CC(=O)C(C(=O)[O-])=C5)cc4)cc3)cc2)C=CC1=O ZINC000150485148 571515779 /nfs/dbraw/zinc/51/57/79/571515779.db2.gz FBSGSMMZWWYKMW-YKSAKOAQSA-N -2 0 644.600 7.830 40 10 KKCBRL Cc1cc(N)ccc1N=Nc1ccc(-c2ccc(NN=C3C(=O)c4c(N)c(N=Nc5ccc([N+](=O)[O-])cc5)c(S(=O)(=O)[O-])cc4C=C3S(=O)(=O)[O-])cc2)cc1 ZINC000150485509 571515895 /nfs/dbraw/zinc/51/58/95/571515895.db2.gz PGHYOTNKBLUUTR-NOGZMHTPSA-N -2 0 781.789 9.333 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(Nc3ccccc3)c(S(=O)(=O)[O-])c2)c1N ZINC000150485570 571515896 /nfs/dbraw/zinc/51/58/96/571515896.db2.gz GZJRODUHRHKKFX-XEMRWGLISA-N -2 0 741.790 10.467 40 10 KKCBRL Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccc(NN=C3C(=O)c4ccc(NN=C5C=CC(=O)C=C5)cc4C=C3S(=O)(=O)[O-])cc1)C2=O ZINC000150587633 571522029 /nfs/dbraw/zinc/52/20/29/571522029.db2.gz LSFAVYFZVALMBH-ISKMNAODSA-N -2 0 713.710 8.432 40 10 KKCBRL O=C1C=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccc(N=Nc2ccc(Nc3ccccc3)c(S(=O)(=O)[O-])c2)c2ccccc12 ZINC000150600693 571522516 /nfs/dbraw/zinc/52/25/16/571522516.db2.gz AAOMRJLIQLGUDX-UPMDAWFBSA-N -2 0 653.698 8.766 40 10 KKCBRL O=C(Nc1ccc2cc(N=Nc3ccccc3)c(S(=O)(=O)[O-])cc2c1)Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc3cc(S(=O)(=O)[O-])ccc3c1)c2O ZINC000150629644 571523845 /nfs/dbraw/zinc/52/38/45/571523845.db2.gz VZXOULZAUPQVKM-JMAUFSLDSA-N -3 0 826.847 9.067 40 10 KKCBRL Nc1ccc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(N=Nc5ccccc5)c5cc(S(=O)(=O)[O-])ccc45)c4cc(S(=O)(=O)[O-])ccc34)c(O)c2c1 ZINC000150653481 571525987 /nfs/dbraw/zinc/52/59/87/571525987.db2.gz FZGYDRMMZZMMDK-YZCNSZQXSA-N -3 0 811.836 9.420 40 10 KKCBRL Nc1ccc2c(c1N=Nc1ccc(S(=O)(=O)[O-])cc1Cl)C=C(S(=O)(=O)[O-])C(=NNc1ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc1)C2=O ZINC000159750920 571530601 /nfs/dbraw/zinc/53/06/01/571530601.db2.gz MGJWBNYNGUJIDA-RRUXEFCKSA-N -3 0 802.203 9.591 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000164324892 571545894 /nfs/dbraw/zinc/54/58/94/571545894.db2.gz UMESBJMESHINTG-XODNFHPESA-N -2 0 732.571 6.711 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2Br)cc1 ZINC000164348707 571546293 /nfs/dbraw/zinc/54/62/93/571546293.db2.gz JJXFPZMDGYOLNT-KKMKTNMSSA-N -2 0 734.441 7.623 40 10 KKCBRL Cc1ccc2nc(-c3ccc(N=Nc4c(O)c5ccc(S(=O)(=O)[O-])cc5cc4S(=O)(=O)[O-])cc3)sc2c1 ZINC000299888627 572141606 /nfs/dbraw/zinc/14/16/06/572141606.db2.gz QXYINOHLUDLCKU-UHFFFAOYSA-N -2 0 555.615 6.039 40 10 KKCBRL Cc1ccccc1NN=C1C(=O)c2ccc(NC(=O)Nc3ccc4c(c3)cc(S(=O)(=O)[O-])c(N=Nc3ccc5cc(S(=O)(=O)[O-])ccc5c3)c4O)cc2C=C1S(=O)(=O)[O-] ZINC000257049073 572305867 /nfs/dbraw/zinc/30/58/67/572305867.db2.gz MTYFLWBSAJJYJS-UHFFFAOYSA-N -3 0 856.873 9.081 40 10 KKCBRL CCN(c1ccccc1)S(=O)(=O)c1cc(/N=N/c2c(N)ccc3cc(S(=O)(=O)[O-])cc([O-])c32)ccc1C ZINC000100051441 1069695572 /nfs/dbraw/zinc/69/55/72/1069695572.db2.gz JQNSWTWZESAPPA-BYYHNAKLSA-N -2 0 540.623 5.313 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408782174 1069906718 /nfs/dbraw/zinc/90/67/18/1069906718.db2.gz WKJFODCPYSNOGT-WSDLNYQXSA-N -2 0 548.979 5.299 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408849124 1070062022 /nfs/dbraw/zinc/06/20/22/1070062022.db2.gz UTAWEGYBQKLTAN-CXUHLZMHSA-N -2 0 636.307 5.873 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408939104 1070281468 /nfs/dbraw/zinc/28/14/68/1070281468.db2.gz LSQCTOQCKYCQCT-VCHYOVAHSA-N -2 0 585.794 5.055 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000408946605 1070309422 /nfs/dbraw/zinc/30/94/22/1070309422.db2.gz ARFRQGICYUYWDO-XODNFHPESA-N -2 0 641.120 6.760 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409071172 1070497162 /nfs/dbraw/zinc/49/71/62/1070497162.db2.gz FOJXSLYCYBLZHQ-CAOOACKPSA-N -2 0 620.239 5.708 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409072732 1070499049 /nfs/dbraw/zinc/49/90/49/1070499049.db2.gz DCPHCZGMHOHJCX-DJKKODMXSA-N -2 0 646.821 5.205 40 10 KKCBRL O=C([O-])c1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Cl)cc4)c3-c3ccccc3)C(=O)[N-]C2=S)cc1 ZINC000409192611 1070610611 /nfs/dbraw/zinc/61/06/11/1070610611.db2.gz CVVAAQIGWQEVGO-USHMODERSA-N -2 0 604.087 6.994 40 10 KKCBRL COc1ccc(-n2[n-]c(-c3ccccc3)c(C(C)=Nc3ccc(S(=O)(=O)[N-]c4onc(C)c4C)cc3)c2=O)cc1 ZINC000103921156 1070934458 /nfs/dbraw/zinc/93/44/58/1070934458.db2.gz JEFUEVNUAMEPCV-QOMWVZHYSA-N -2 0 557.632 5.238 40 10 KKCBRL COc1ccc(-c2[n-]n(-c3ccc([N+](=O)[O-])cc3)c(=O)c2C(C)=Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)cc1 ZINC000103922612 1070934941 /nfs/dbraw/zinc/93/49/41/1070934941.db2.gz GNRFTYQZEXAVPX-XHPQRKPJSA-N -2 0 602.629 5.146 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408933949 1071199920 /nfs/dbraw/zinc/19/99/20/1071199920.db2.gz CJWCZZMADYAQPL-PCLIKHOPSA-N -2 0 536.540 5.182 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408933307 1071243721 /nfs/dbraw/zinc/24/37/21/1071243721.db2.gz ALNIGKKRYXQNCO-CAOOACKPSA-N -2 0 532.767 5.419 40 10 KKCBRL Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C(=O)[O-])cc4)C3=O)cc2Br)c1 ZINC000408946207 1071271209 /nfs/dbraw/zinc/27/12/09/1071271209.db2.gz YNFAWPSNAGFHSH-CIAFOILYSA-N -2 0 549.377 5.010 40 10 KKCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)c(Br)c3)C2=O)cc1 ZINC000408944239 1071287722 /nfs/dbraw/zinc/28/77/22/1071287722.db2.gz UDPNEGYKFFACSN-OEAKJJBVSA-N -2 0 571.383 5.546 40 10 KKCBRL Nc1ccc2c(c1N=Nc1ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc1)C=C(S(=O)(=O)[O-])C(=NNc1ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc1)C2=O ZINC000263595797 1071323264 /nfs/dbraw/zinc/32/32/64/1071323264.db2.gz DZZMINULTARPQP-UHFFFAOYSA-N -3 0 815.828 9.529 40 10 KKCBRL Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccc(Sc3ccc(NN=C4C=CC(=O)C=C4)cc3)cc1)C(S(=O)(=O)[O-])=C2 ZINC000263600134 1071324021 /nfs/dbraw/zinc/32/40/21/1071324021.db2.gz JRGBFSSQADAILQ-UHFFFAOYSA-N -2 0 800.813 9.632 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408949581 1071360017 /nfs/dbraw/zinc/36/00/17/1071360017.db2.gz ILMOERQAIAYUGF-IPPBACCNSA-N -2 0 699.598 7.259 40 10 KKCBRL O=C([O-])COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Br ZINC000408956885 1071374186 /nfs/dbraw/zinc/37/41/86/1071374186.db2.gz ZBKUFLYXMYAGFM-ODCIPOBUSA-N -2 0 658.343 5.809 40 10 KKCBRL O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2Br)cc1 ZINC000408954039 1071394177 /nfs/dbraw/zinc/39/41/77/1071394177.db2.gz RCLJTKTVYJNSJR-CCVNUDIWSA-N -2 0 655.545 6.861 40 10 KKCBRL Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)[N-]C2=S)c1 ZINC000408993732 1071563729 /nfs/dbraw/zinc/56/37/29/1071563729.db2.gz FHRBARYUFTYDSX-KEBDBYFISA-N -2 0 738.341 5.621 40 10 KKCBRL O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4Cl)C3=O)cc2I)cc1 ZINC000408999587 1071654705 /nfs/dbraw/zinc/65/47/05/1071654705.db2.gz RIGBZLWBMORPSY-OVCLIPMQSA-N -2 0 779.177 6.311 40 10 KKCBRL Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C1=O ZINC000408765440 1071723757 /nfs/dbraw/zinc/72/37/57/1071723757.db2.gz PPVCXXGQODFZNZ-MHWRWJLKSA-N -2 0 529.730 5.036 40 10 KKCBRL Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C1=O ZINC000408775775 1071754137 /nfs/dbraw/zinc/75/41/37/1071754137.db2.gz JRGILWAMQKJOQE-YBFXNURJSA-N -2 0 661.246 5.306 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2I)cc1 ZINC000408781314 1071819315 /nfs/dbraw/zinc/81/93/15/1071819315.db2.gz CBBLSTPQNGRNRA-GIJQJNRQSA-N -2 0 681.664 5.651 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Br)cc1 ZINC000408786311 1071852519 /nfs/dbraw/zinc/85/25/19/1071852519.db2.gz PFFLIPSPENZIQG-GIJQJNRQSA-N -2 0 590.213 5.700 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000408782598 1071875505 /nfs/dbraw/zinc/87/55/05/1071875505.db2.gz WXVVLRKOFCOQMC-CIAFOILYSA-N -2 0 579.403 5.100 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000409071687 1072087857 /nfs/dbraw/zinc/08/78/57/1072087857.db2.gz HWPWMNYPNWUBHX-DJKKODMXSA-N -2 0 545.762 5.590 40 10 KKCBRL Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1cccc(OCc2ccc(F)cc2)c1 ZINC000409068005 1072114491 /nfs/dbraw/zinc/11/44/91/1072114491.db2.gz FHGMDWZABWVHEM-UHFFFAOYSA-N -2 0 560.629 6.984 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409067973 1072114084 /nfs/dbraw/zinc/11/40/84/1072114084.db2.gz RVRUKHYAGBQQBU-CVKSISIWSA-N -2 0 657.473 5.980 40 10 KKCBRL O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Cl)cc1 ZINC000409068673 1072110817 /nfs/dbraw/zinc/11/08/17/1072110817.db2.gz USSVSSFEAVSPRK-YBFXNURJSA-N -2 0 555.768 5.046 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387344 1072744294 /nfs/dbraw/zinc/74/42/94/1072744294.db2.gz VTJRSGWSXNDPHE-LICLKQGHSA-N -2 0 574.511 5.871 40 10 KKCBRL CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409398866 1072751581 /nfs/dbraw/zinc/75/15/81/1072751581.db2.gz FGXRVZKDYAHOBC-UNOMPAQXSA-N -2 0 616.262 5.349 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000409214344 1072953101 /nfs/dbraw/zinc/95/31/01/1072953101.db2.gz XNWKRYCWDWPZNU-RWPZCVJISA-N -2 0 563.654 5.927 40 10 KKCBRL Nc1ccc2c(O)c(N=Nc3ccc(-c4ccc(N=Nc5c(O)c6ccc(N)cc6cc5S(=O)(=O)[O-])cc4)cc3)c(S(=O)(=O)[O-])cc2c1 ZINC001570006807 1073198162 /nfs/dbraw/zinc/19/81/62/1073198162.db2.gz QAKXRULOCWWMQS-ATXIYDNESA-N -2 0 684.712 7.560 40 10 KKCBRL O=S(=O)([O-])c1cc(/N=N/c2ccc(Nc3ccccc3)c3c2cccc3S(=O)(=O)[O-])c2c([O-])ccc(S(=O)(=O)[O-])c2c1 ZINC000004235518 552451535 /nfs/dbraw/zinc/45/15/35/552451535.db2.gz YKBZCOWYQXJNGR-ZQHSETAFSA-N -4 0 629.650 5.598 40 10 KKCBRL O=C1c2ccc(Nc3ccc4c(c3)C=C(S(=O)(=O)[O-])C(=NNc3ccccc3)C4=O)cc2C=C(S(=O)(=O)[O-])C1=NNc1ccccc1 ZINC000004235576 552451615 /nfs/dbraw/zinc/45/16/15/552451615.db2.gz DLYJOQYCGSEKTA-VHJMTFITSA-N -2 0 669.697 8.472 40 10 KKCBRL Nc1ccc(S(=O)(=O)[O-])c2c1C(=O)C(=NNc1ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)c3ccccc13)C=C2 ZINC000004366944 552458453 /nfs/dbraw/zinc/45/84/53/552458453.db2.gz LTUMHABOUUZCLG-DUJDKOHPSA-N -2 0 577.600 6.605 40 10 KKCBRL COc1cc(-c2ccc(NN=C3C=C(S(=O)(=O)[O-])c4ccccc4C3=O)c(OC)c2)ccc1NN=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O ZINC000004416416 552459599 /nfs/dbraw/zinc/45/95/99/552459599.db2.gz HHIMHPSTBORQAB-ATXIYDNESA-N -2 0 714.734 8.413 40 10 KKCBRL O=C1C=Cc2ccc(S(=O)(=O)[O-])cc2C1=NNc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000004726980 552473005 /nfs/dbraw/zinc/47/30/05/552473005.db2.gz MNWZRTYAQWJKPK-QSZPNPOGSA-N -2 0 512.525 5.870 40 10 KKCBRL O=C1c2ccccc2C=C(S(=O)(=O)[O-])C1=NNc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000004758333 552476509 /nfs/dbraw/zinc/47/65/09/552476509.db2.gz POZWNRJWLYUOAY-QSZPNPOGSA-N -2 0 512.525 5.870 40 10 KKCBRL Nc1c(/N=N/c2ccc(/C=C\c3ccc(/N=N/c4cc(S(=O)(=O)[O-])c5ccccc5c4N)cc3)cc2)cc(S(=O)(=O)[O-])c2ccccc12 ZINC000095100231 553698070 /nfs/dbraw/zinc/69/80/70/553698070.db2.gz LDUXEVKSVHFMSZ-XKBYFGDLSA-N -2 0 678.752 8.652 40 10 KKCBRL Nc1c(/N=N/c2ccc(/C=C/c3ccc(/N=N/c4cc(S(=O)(=O)[O-])c5ccccc5c4N)cc3)cc2)cc(S(=O)(=O)[O-])c2ccccc12 ZINC000095100233 553698279 /nfs/dbraw/zinc/69/82/79/553698279.db2.gz LDUXEVKSVHFMSZ-NKPXSSHVSA-N -2 0 678.752 8.652 40 10 KKCBRL Nc1ccc(/N=N/c2ccc(/C=C/c3ccc(/N=N/c4ccc(N)c5ccccc45)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)c2ccccc12 ZINC000095100247 553698289 /nfs/dbraw/zinc/69/82/89/553698289.db2.gz BEOHKTZPLVXCFG-NKPXSSHVSA-N -2 0 678.752 8.652 40 10 KKCBRL Cc1ccc(Nc2ccc(/N=N\c3ccc(/N=N/c4cccc(S(=O)(=O)[O-])c4)c4ccccc34)c3cccc(S(=O)(=O)[O-])c23)cc1 ZINC000095731660 553711237 /nfs/dbraw/zinc/71/12/37/553711237.db2.gz JLGHRHTZYNYXMD-RLUKNFBTSA-N -2 0 651.726 9.369 40 10 KKCBRL O=S(=O)([O-])c1ccc(N=Nc2ccc(N=Nc3c(O)ccc4ccccc43)c(S(=O)(=O)[O-])c2)cc1 ZINC000100072556 554202441 /nfs/dbraw/zinc/20/24/41/554202441.db2.gz BYABGQJPCPYPSZ-RUFRKCMOSA-N -2 0 512.525 5.870 40 10 KKCBRL O=C1C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccccc1C=Cc1nc2ccccc2[nH]1 ZINC000100367627 554353831 /nfs/dbraw/zinc/35/38/31/554353831.db2.gz DYGFYPFTTUXFLN-YWYNZZHRSA-N -2 0 550.574 5.501 40 10 KKCBRL Cc1c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(C(C)C)c([O-])c1S(=O)(=O)c1ccc(Cl)cc1 ZINC000101181619 554667303 /nfs/dbraw/zinc/66/73/03/554667303.db2.gz IOPQBEOHUSHUMA-UHFFFAOYSA-N -2 0 525.004 5.019 40 10 KKCBRL CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)C2=O)c1 ZINC000103846435 571363430 /nfs/dbraw/zinc/36/34/30/571363430.db2.gz JGNCWBBPNWPXRI-RGVLZGJSSA-N -2 0 599.423 5.734 40 10 KKCBRL CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000103919125 571369559 /nfs/dbraw/zinc/36/95/59/571369559.db2.gz RONOIFYGXLNGDB-QJOMJCCJSA-N -2 0 550.666 5.591 40 10 KKCBRL Cc1cc(C)c(N=Nc2cc(C)c(N)c(N=Nc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)c2N)c(S(=O)(=O)[O-])c1 ZINC000104050510 571371810 /nfs/dbraw/zinc/37/18/10/571371810.db2.gz ABHWAZARRFMXPQ-WQXVCQHESA-N -2 0 602.633 7.673 40 10 KKCBRL Cc1ccc(N=Nc2cc(C)c(N)c(N=Nc3ccc(NN=C4C=C(C(=O)[O-])C(=O)C(S(=O)(=O)[O-])=C4)c(C)c3)c2N)cc1 ZINC000104050497 571371851 /nfs/dbraw/zinc/37/18/51/571371851.db2.gz VBBHCYVWGOKODU-WIZLBLTMSA-N -2 0 602.633 7.673 40 10 KKCBRL Cc1cc(C)c(N=Nc2cc(C)c(N)c(N=Nc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)c2N)c(S(=O)(=O)[O-])c1 ZINC000104050516 571371852 /nfs/dbraw/zinc/37/18/52/571371852.db2.gz ABHWAZARRFMXPQ-ZTLQHZCASA-N -2 0 602.633 7.673 40 10 KKCBRL O=S(=O)([O-])c1ccccc1N=Nc1ccc(N=Nc2c(O)ccc3ccccc32)c(S(=O)(=O)[O-])c1 ZINC000104178382 571375980 /nfs/dbraw/zinc/37/59/80/571375980.db2.gz RYUPVRNBWXCXBA-RIIXPHEHSA-N -2 0 512.525 5.870 40 10 KKCBRL COc1cc(N=Nc2cccc(S(=O)(=O)[O-])c2)ccc1NC(=O)Nc1ccc(NN=C2C=CC(=O)C(C(=O)[O-])=C2)cc1 ZINC000104323934 571379114 /nfs/dbraw/zinc/37/91/14/571379114.db2.gz QLPXEVTZQMICLN-QTDLIUEZSA-N -2 0 590.574 6.821 40 10 KKCBRL O=C1c2c(cccc2S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C1=NNc1ccc(N=Nc2ccccc2)cc1 ZINC000104366401 571379514 /nfs/dbraw/zinc/37/95/14/571379514.db2.gz JSULGLNYTBQZQY-RIIXPHEHSA-N -2 0 512.525 5.870 40 10 KKCBRL O=C1c2ccccc2C(S(=O)(=O)[O-])=CC1=NNc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000104366987 571379553 /nfs/dbraw/zinc/37/95/53/571379553.db2.gz HRJPKTJYWMCGSF-HXEHWPEMSA-N -2 0 512.525 5.870 40 10 KKCBRL O=C1C=CC(=NNc2ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc2)c2c1cccc2S(=O)(=O)[O-] ZINC000104367005 571379605 /nfs/dbraw/zinc/37/96/05/571379605.db2.gz KRSNYIGWUHIMKB-HXEHWPEMSA-N -2 0 512.525 5.870 40 10 KKCBRL O=C1C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000104381563 571379843 /nfs/dbraw/zinc/37/98/43/571379843.db2.gz OGDZEWOOSQLJRN-RUFRKCMOSA-N -3 0 592.589 5.116 40 10 KKCBRL CC(=O)C(N=Nc1cc(S(=O)(=O)[O-])c(-c2cc(C)c(N=NC(C(C)=O)C(=O)Nc3ccccc3)cc2S(=O)(=O)[O-])cc1C)C(=O)Nc1ccccc1 ZINC000150341422 571458125 /nfs/dbraw/zinc/45/81/25/571458125.db2.gz WWZJYMWDTPESNJ-VDMVSCOFSA-N -2 0 748.796 7.488 40 10 KKCBRL O=C1C=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccc(N=Nc2ccc(Nc3ccccc3)c(S(=O)(=O)[O-])c2)c2ccccc12 ZINC000150344753 571459473 /nfs/dbraw/zinc/45/94/73/571459473.db2.gz AAOMRJLIQLGUDX-XGMUGIETSA-N -2 0 653.698 8.766 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(-c3ccc(NN=c4ccc(=O)c(=NNc5ccc(S(=O)(=O)[O-])cc5)c4=O)cc3)cc2)C=CC1=O ZINC000150366644 571464779 /nfs/dbraw/zinc/46/47/79/571464779.db2.gz MFKIBHRWIGTPSD-SHGCSUKSSA-N -2 0 638.618 8.662 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1/N=N\c1ccc(/N=N/c2ccc3c(O)cc(S(=O)(=O)[O-])cc3c2)c2cc(S(=O)(=O)[O-])ccc12 ZINC000150366824 571464862 /nfs/dbraw/zinc/46/48/62/571464862.db2.gz SMOLWFVRMRZEAR-FDXVQENYSA-N -2 0 814.858 9.836 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2cccc(OCC(=O)[O-])c2)c1N ZINC000150366720 571464865 /nfs/dbraw/zinc/46/48/65/571464865.db2.gz GNCDAYFWWYGONF-QJSTZAKQSA-N -2 0 644.648 8.940 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1/N=N/c1ccc(/N=N/c2ccc3c(O)cc(S(=O)(=O)[O-])cc3c2)c2cc(S(=O)(=O)[O-])ccc12 ZINC000150366827 571464870 /nfs/dbraw/zinc/46/48/70/571464870.db2.gz SMOLWFVRMRZEAR-NFAUJPPVSA-N -2 0 814.858 9.836 40 10 KKCBRL Cc1ccc(N=Nc2ccc(N=Nc3c(O)c4ccc(Nc5ccccc5)cc4cc3S(=O)(=O)[O-])c3ccc(S(=O)(=O)[O-])cc23)cc1 ZINC000150366758 571464894 /nfs/dbraw/zinc/46/48/94/571464894.db2.gz HUSNTUZPAOLOFK-JKWOPUAESA-N -2 0 667.725 9.075 40 10 KKCBRL COc1cc(-c2ccc(/N=N\c3cc(S(=O)(=O)[O-])c4ccccc4c3N)c(OC)c2)ccc1/N=N\c1cc(S(=O)(=O)[O-])c2ccccc2c1N ZINC000150366711 571464895 /nfs/dbraw/zinc/46/48/95/571464895.db2.gz DZXPRYUVRGUYGO-YKSAKOAQSA-N -2 0 712.766 8.166 40 10 KKCBRL Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1/N=N/c1ccc(/N=N\c2ccc3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c3c2)c(C)c1 ZINC000150367630 571465061 /nfs/dbraw/zinc/46/50/61/571465061.db2.gz SGYVGYBOSGJYNI-BMCIMDJKSA-N -2 0 688.700 7.941 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(NC(=O)c3ccc(N)cc3)cc2)ccc1N=Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc(S(=O)(=O)[O-])cc1C)c2O ZINC000150367729 571465155 /nfs/dbraw/zinc/46/51/55/571465155.db2.gz UNJBQHJKVLTHLE-NITPHVIHSA-N -2 0 793.840 8.573 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(NN=C3C=C(S(=O)(=O)[O-])c4ccccc4C3=O)cc2)ccc1N=Nc1ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2c1 ZINC000150368091 571465190 /nfs/dbraw/zinc/46/51/90/571465190.db2.gz RXKPZLKFMWDJHX-UTVIVKDXSA-N -3 0 775.799 7.830 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(NN=C3C=C(S(=O)(=O)[O-])c4ccccc4C3=O)cc2)ccc1N=Nc1ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2c1 ZINC000150368093 571465227 /nfs/dbraw/zinc/46/52/27/571465227.db2.gz RXKPZLKFMWDJHX-GNOGBKIISA-N -3 0 775.799 7.830 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(N)cc2)ccc1/N=N/c1ccc(/N=N\c2ccc(/N=N\c3ccc4cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4c3)c(C)c2)c(C)c1 ZINC000150368224 571465275 /nfs/dbraw/zinc/46/52/75/571465275.db2.gz HAULGSWNNVRSDU-VHEITGKDSA-N -2 0 776.857 10.339 40 10 KKCBRL COc1cc(/N=N/c2ccc(/N=N\c3cc(S(=O)(=O)[O-])ccc3S(=O)(=O)[O-])c(C)c2)c(C)cc1/N=N/c1ccc(NC(=O)c2ccc(N)cc2)cc1C ZINC000150368172 571465293 /nfs/dbraw/zinc/46/52/93/571465293.db2.gz JOJHDPRFNMKYMD-MIFJXSTESA-N -2 0 756.823 9.195 40 10 KKCBRL Cc1cc(/N=N/c2ccc(NC(=O)c3ccc(N)cc3)cc2C)ccc1/N=N/c1ccc(/N=N\c2ccc3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c3c2)c(C)c1 ZINC000150368229 571465349 /nfs/dbraw/zinc/46/53/49/571465349.db2.gz HAULGSWNNVRSDU-JJMKHGTMSA-N -2 0 776.857 10.339 40 10 KKCBRL Cc1ccc(Nc2ccc(/N=N\c3ccc(/N=N\c4cccc(S(=O)(=O)[O-])c4)c4ccccc34)c3cccc(S(=O)(=O)[O-])c23)cc1 ZINC000150384347 571468231 /nfs/dbraw/zinc/46/82/31/571468231.db2.gz JLGHRHTZYNYXMD-GRNCQUCOSA-N -2 0 651.726 9.369 40 10 KKCBRL Cc1cc(-c2ccc(NN=C3C(=O)c4c(O)cc(S(=O)(=O)[O-])cc4C=C3S(=O)(=O)[O-])c(C)c2)ccc1NN=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O ZINC000150386625 571469358 /nfs/dbraw/zinc/46/93/58/571469358.db2.gz VKYPCMAKLFPTTC-IECPAEGSSA-N -3 0 778.799 7.965 40 10 KKCBRL O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3ccc([N+](=O)[O-])cc3[O-])C2=O)SC1=S)Nc1ccc([N+](=O)[O-])cc1[O-] ZINC000150470017 571509217 /nfs/dbraw/zinc/50/92/17/571509217.db2.gz LELVJLJYNSEPML-OCEACIFDSA-N -2 0 762.870 5.544 40 10 KKCBRL COc1cc(/N=N/c2ccc3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c3c2)ccc1/N=N\c1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1C ZINC000150475618 571510723 /nfs/dbraw/zinc/51/07/23/571510723.db2.gz CGBGIPVEMXYBAV-OBTDNYESSA-N -2 0 778.825 8.986 40 10 KKCBRL Nc1cc(N)c(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1N=Nc1ccc(-c2ccc(NN=C3C=CC(=O)C(C(=O)[O-])=C3)cc2)cc1 ZINC000150478927 571511675 /nfs/dbraw/zinc/51/16/75/571511675.db2.gz ZPTZVNALDNIANP-ISKMNAODSA-N -2 0 636.650 8.415 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2cc(Cl)ccc2S(=O)(=O)[O-])c1N ZINC000150485132 571515792 /nfs/dbraw/zinc/51/57/92/571515792.db2.gz VWTMKDWOLMLALS-SZVKHLHBSA-N -2 0 685.122 9.377 40 10 KKCBRL Cc1cc(N=Nc2ccc(Sc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(S(=O)(=O)[O-])cc2)c1N ZINC000150485421 571515933 /nfs/dbraw/zinc/51/59/33/571515933.db2.gz OKXJENZJSYUYBE-TUTYVFDISA-N -2 0 682.744 9.207 40 10 KKCBRL Cc1cc(N=Nc2ccc(Sc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(S(=O)(=O)[O-])c3ccccc23)c1N ZINC000150485520 571515951 /nfs/dbraw/zinc/51/59/51/571515951.db2.gz NCUJGFYVGLZOIW-KGAHDLEYSA-N -2 0 732.804 10.361 40 10 KKCBRL Cc1cc(/N=N\c2cc(C)c(NC(=O)c3ccc(NC(=O)c4ccc(N)cc4)cc3)cc2C)ccc1/N=N/c1ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2c1 ZINC000150485605 571516011 /nfs/dbraw/zinc/51/60/11/571516011.db2.gz XKRCRPCTAHBBQE-ZIBHNJFKSA-N -2 0 791.868 9.176 40 10 KKCBRL O=C1C=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccc(N=Nc2ccc(Nc3ccccc3)c(S(=O)(=O)[O-])c2)c2ccccc12 ZINC000150600692 571522490 /nfs/dbraw/zinc/52/24/90/571522490.db2.gz AAOMRJLIQLGUDX-KSHGJJROSA-N -2 0 653.698 8.766 40 10 KKCBRL Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])c(C(=O)[O-])c2)c(=O)c1N=Nc1ccc(C(=O)Nc2ccc(-n3c(=O)c4ccccc4nc3-c3ccccc3)cc2)cc1 ZINC000150636552 571524315 /nfs/dbraw/zinc/52/43/15/571524315.db2.gz CYKVYAZCHHMRDE-FZQQBRGOSA-N -3 0 741.742 6.125 40 10 KKCBRL CC(=O)C(=NNc1ccc(-c2ccc(NN=C3C(=O)C=Cc4cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c43)cc2C)c(C)c1)C(=O)Nc1ccccc1 ZINC000150634591 571524324 /nfs/dbraw/zinc/52/43/24/571524324.db2.gz ULDQAJBXYMETCK-HAXZXZGHSA-N -2 0 715.766 8.250 40 10 KKCBRL CC(=O)C(=NNc1ccc(-c2ccc(NN=C3C(=O)C=Cc4cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c43)cc2C)c(C)c1)C(=O)Nc1ccccc1 ZINC000150662197 571527608 /nfs/dbraw/zinc/52/76/08/571527608.db2.gz ULDQAJBXYMETCK-VXDHMYSJSA-N -2 0 715.766 8.250 40 10 KKCBRL CC(=O)Nc1ccc(N=Nc2cc3c(O)cc(NC(=O)Nc4ccc5c(c4)C=C(S(=O)(=O)[O-])C(=NNc4ccccc4)C5=O)cc3cc2S(=O)(=O)[O-])cc1 ZINC000159751690 571530629 /nfs/dbraw/zinc/53/06/29/571530629.db2.gz JUZHUDZDLLHLEO-ITRZRYQLSA-N -2 0 769.774 8.331 40 10 KKCBRL CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)c1 ZINC000164321828 571545646 /nfs/dbraw/zinc/54/56/46/571545646.db2.gz UXGWCVBRNGNYNC-RGVLZGJSSA-N -2 0 688.325 5.953 40 10 KKCBRL Nc1ccc(N=Nc2ccc(NS(=O)(=O)c3ccc(NN=C4C(=O)c5c(N)c(N=Nc6ccc([N+](=O)[O-])cc6)c(S(=O)(=O)[O-])cc5C=C4S(=O)(=O)[O-])cc3)cc2)c(N)c1 ZINC000169724077 571559551 /nfs/dbraw/zinc/55/95/51/571559551.db2.gz KLOBVOJCYFKUOI-AIPHFEBLSA-N -2 0 861.857 7.741 40 10 KKCBRL O=C1c2ccccc2C(S(=O)(=O)[O-])=CC1=NNc1ccc(C=Cc2ccc(NN=C3C=C(S(=O)(=O)[O-])c4ccccc4C3=O)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1 ZINC000263604350 572129336 /nfs/dbraw/zinc/12/93/36/572129336.db2.gz OORCZLZITMPZPT-WGFMODTLSA-N -4 0 840.848 7.392 40 10 KKCBRL COc1cc(N=Nc2ccc(S(=O)(=O)[O-])cc2)c(C)cc1N=Nc1c(O)c2ccc(Nc3ccccc3)cc2cc1S(=O)(=O)[O-] ZINC000299888594 572141757 /nfs/dbraw/zinc/14/17/57/572141757.db2.gz POHJIWSCJNKSOQ-UHFFFAOYSA-N -2 0 647.691 7.930 40 10 KKCBRL O=C([O-])c1ccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)c3ccccc32)o1 ZINC000408543268 572212364 /nfs/dbraw/zinc/21/23/64/572212364.db2.gz PZLHHBNTMLKGGU-CCVNUDIWSA-N -2 0 589.648 6.115 40 10 KKCBRL COc1ccc(Cl)cc1-c1nc(SC(=Cc2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)C(=O)[O-])n[nH]1 ZINC000408633208 572289866 /nfs/dbraw/zinc/28/98/66/572289866.db2.gz XCYJUJNYLADNST-NHDPSOOVSA-N -2 0 524.986 5.457 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408808779 1069960465 /nfs/dbraw/zinc/96/04/65/1069960465.db2.gz FMDHJTIKWMRJMF-CAOOACKPSA-N -2 0 532.767 5.419 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408938510 1070295041 /nfs/dbraw/zinc/29/50/41/1070295041.db2.gz KRAXEBKOPDKLDP-YBFXNURJSA-N -2 0 599.821 5.445 40 10 KKCBRL Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)o1 ZINC000408960133 1070322867 /nfs/dbraw/zinc/32/28/67/1070322867.db2.gz CEMBEIJXPLSMFO-MHWRWJLKSA-N -2 0 501.347 5.091 40 10 KKCBRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)c1 ZINC000409179735 1070595147 /nfs/dbraw/zinc/59/51/47/1070595147.db2.gz SVWKXNCTTOBECS-GIJQJNRQSA-N -2 0 503.916 5.541 40 10 KKCBRL Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(C(=O)[O-])c4)c(Br)c3)C2=O)c1 ZINC000408901096 1070923449 /nfs/dbraw/zinc/92/34/49/1070923449.db2.gz VLSONZRQHMTXQR-CIAFOILYSA-N -2 0 549.377 5.010 40 10 KKCBRL Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(C(=O)[O-])cc4)ccc4ccccc43)C2=O)cc1 ZINC000408897961 1070962856 /nfs/dbraw/zinc/96/28/56/1070962856.db2.gz JWIBTKBEKUPRDF-PCLIKHOPSA-N -2 0 506.514 5.092 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000408897341 1070968399 /nfs/dbraw/zinc/96/83/99/1070968399.db2.gz IYANVDOZQMXBQF-RGVLZGJSSA-N -2 0 599.821 5.445 40 10 KKCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)c(Br)c3)C2=O)cc1 ZINC000408935735 1071219654 /nfs/dbraw/zinc/21/96/54/1071219654.db2.gz DOAZKKWRHOZUIH-YBFXNURJSA-N -2 0 555.768 5.046 40 10 KKCBRL Cc1cc(S(=O)(=O)[O-])ccc1N=Nc1ccc(NN=C2C=C(S(=O)(=O)[O-])c3ccccc3C2=O)c(C)c1 ZINC000263612430 1071225481 /nfs/dbraw/zinc/22/54/81/1071225481.db2.gz YECHSGCFTMLMBX-UHFFFAOYSA-N -2 0 540.579 6.486 40 10 KKCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3c(OCc4cccc(Cl)c4)ccc4ccccc43)C2=O)cc1 ZINC000408947135 1071263709 /nfs/dbraw/zinc/26/37/09/1071263709.db2.gz ZPRNIORSYDFOSY-BUVRLJJBSA-N -2 0 526.932 5.437 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408942847 1071296085 /nfs/dbraw/zinc/29/60/85/1071296085.db2.gz QXQXVRHXMMFTDL-ZVHZXABRSA-N -2 0 615.436 5.945 40 10 KKCBRL O=C([O-])COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Cl ZINC000408956444 1071377395 /nfs/dbraw/zinc/37/73/95/1071377395.db2.gz WUBYTYOPERICEO-ODCIPOBUSA-N -2 0 569.441 5.591 40 10 KKCBRL O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)o2)cc1 ZINC000408953903 1071394616 /nfs/dbraw/zinc/39/46/16/1071394616.db2.gz QKQJKLCNTSSEOC-VULFUBBASA-N -2 0 536.584 5.779 40 10 KKCBRL O=C([O-])COc1c(Br)cc(I)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408954708 1071389516 /nfs/dbraw/zinc/38/95/16/1071389516.db2.gz SIFHEXQQPCCAHT-LSFURLLWSA-N -2 0 705.343 5.651 40 10 KKCBRL Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)C2=O)cc1Cl ZINC000408983631 1071515671 /nfs/dbraw/zinc/51/56/71/1071515671.db2.gz MYMBHNUUZUVJSK-LSCVHKIXSA-N -2 0 559.789 5.899 40 10 KKCBRL COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408983401 1071518927 /nfs/dbraw/zinc/51/89/27/1071518927.db2.gz LXAMYHDBDJCWRW-OCKHKDLRSA-N -2 0 599.821 5.363 40 10 KKCBRL CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000408981665 1071533598 /nfs/dbraw/zinc/53/35/98/1071533598.db2.gz CGQYDSLBSYFWTN-XKZIYDEJSA-N -2 0 593.430 5.354 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000408757001 1071634265 /nfs/dbraw/zinc/63/42/65/1071634265.db2.gz VLGLWRPPXJWJKT-VXLYETTFSA-N -2 0 644.272 5.472 40 10 KKCBRL CCOc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[n-]n(-c3ccccc3)c2=O)ccc1OCc1cccc(C)c1 ZINC000409025008 1071710427 /nfs/dbraw/zinc/71/04/27/1071710427.db2.gz KAZPKNMJRCCPAN-UHFFFAOYSA-N -2 0 600.719 7.552 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408765920 1071721578 /nfs/dbraw/zinc/72/15/78/1071721578.db2.gz RRPVRZFNAHROKS-VXLYETTFSA-N -2 0 599.821 5.363 40 10 KKCBRL Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C2=O)ccc1Br ZINC000408762273 1071736334 /nfs/dbraw/zinc/73/63/34/1071736334.db2.gz JVVACUATJZFZTC-MHWRWJLKSA-N -2 0 529.730 5.036 40 10 KKCBRL O=C([O-])c1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCc1ccccc1 ZINC000409038607 1071905215 /nfs/dbraw/zinc/90/52/15/1071905215.db2.gz AEVSAZAFWDZNTI-IMRQLAEWSA-N -2 0 548.551 5.209 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409066607 1072002695 /nfs/dbraw/zinc/00/26/95/1072002695.db2.gz LSNBPARGGKQVOA-YBFXNURJSA-N -2 0 613.848 5.753 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000409065541 1072008677 /nfs/dbraw/zinc/00/86/77/1072008677.db2.gz JEVUAVNHTBAHJV-GZTJUZNOSA-N -2 0 512.349 5.074 40 10 KKCBRL CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000409065975 1072005725 /nfs/dbraw/zinc/00/57/25/1072005725.db2.gz JONKGLHDOSOEKP-CIAFOILYSA-N -2 0 555.370 5.336 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000409064675 1072013704 /nfs/dbraw/zinc/01/37/04/1072013704.db2.gz FCZKPOUUHIYOJY-VCHYOVAHSA-N -2 0 528.417 5.239 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409064159 1072016090 /nfs/dbraw/zinc/01/60/90/1072016090.db2.gz BVHDVWOOQUZZQM-YBFXNURJSA-N -2 0 555.370 5.336 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409074934 1072065606 /nfs/dbraw/zinc/06/56/06/1072065606.db2.gz ONKCFTLDYZESCE-KEBDBYFISA-N -2 0 613.848 5.753 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000409074298 1072068736 /nfs/dbraw/zinc/06/87/36/1072068736.db2.gz LMKHLTXLUHGGSV-DJKKODMXSA-N -2 0 645.216 5.063 40 10 KKCBRL Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000409073668 1072072763 /nfs/dbraw/zinc/07/27/63/1072072763.db2.gz RBHYWDGOWMFIKM-VCHYOVAHSA-N -2 0 559.789 5.899 40 10 KKCBRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3\SC(=S)N(c4cccc5ccccc54)C3=O)o2)c1 ZINC000409331509 1072368496 /nfs/dbraw/zinc/36/84/96/1072368496.db2.gz NLJJNPYOGLFSLJ-XKZIYDEJSA-N -2 0 501.541 5.902 40 10 KKCBRL CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)o3)C2=O)cc1 ZINC000409345394 1072424255 /nfs/dbraw/zinc/42/42/55/1072424255.db2.gz LNLPNHIVPMGFNE-WSDLNYQXSA-N -2 0 534.546 5.141 40 10 KKCBRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=S)N(NC(=O)Nc4ccc(Cl)c(Cl)c4)C3=O)o2)c1 ZINC000409368035 1072666625 /nfs/dbraw/zinc/66/66/25/1072666625.db2.gz LUBXNVCSQTVIJE-GIJQJNRQSA-N -2 0 578.411 5.588 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409386690 1072684481 /nfs/dbraw/zinc/68/44/81/1072684481.db2.gz RHIAZKUYBPQXHZ-LFIBNONCSA-N -2 0 558.443 5.706 40 10 KKCBRL Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387893 1072740757 /nfs/dbraw/zinc/74/07/57/1072740757.db2.gz XYSIOFYABCLZLM-FYJGNVAPSA-N -2 0 517.607 5.016 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387946 1072741224 /nfs/dbraw/zinc/74/12/24/1072741224.db2.gz YYUAZZWBWJDTDN-LICLKQGHSA-N -2 0 558.443 5.706 40 10 KKCBRL CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409400551 1072745098 /nfs/dbraw/zinc/74/50/98/1072745098.db2.gz TUOHGLMVJPVDAQ-UNOMPAQXSA-N -2 0 571.811 5.240 40 10 KKCBRL CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1OCC ZINC000409195655 1072836183 /nfs/dbraw/zinc/83/61/83/1072836183.db2.gz UUEYVMLHYFBINF-OEAKJJBVSA-N -2 0 627.477 6.120 40 10 KKCBRL O=C([O-])c1ccc(N2C(=O)/C(=C/c3cc(Br)c(Sc4ccc(Cl)cc4)o3)C(=O)[N-]C2=S)cc1 ZINC000409195508 1072836812 /nfs/dbraw/zinc/83/68/12/1072836812.db2.gz VYAJYXNHDCQHSM-CXUHLZMHSA-N -2 0 563.838 5.376 40 10 KKCBRL CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409194191 1072845920 /nfs/dbraw/zinc/84/59/20/1072845920.db2.gz OFYIFNSYQOXVRF-ZVHZXABRSA-N -2 0 728.536 5.817 40 10 KKCBRL CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C2=O)cc1OCC ZINC000409190880 1072867493 /nfs/dbraw/zinc/86/74/93/1072867493.db2.gz AIVVORHZMVTUPC-YDZHTSKRSA-N -2 0 714.509 5.427 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409189428 1072875631 /nfs/dbraw/zinc/87/56/31/1072875631.db2.gz GMIIPAXXQOXTAG-VULFUBBASA-N -2 0 620.514 6.509 40 10 KKCBRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=S)N(c4cccc(Br)c4)C3=O)o2)c1 ZINC000409207041 1072888108 /nfs/dbraw/zinc/88/81/08/1072888108.db2.gz ZJCIJWDFEGPLCC-VCHYOVAHSA-N -2 0 530.377 5.511 40 10 KKCBRL Nc1ccc(S(=O)(=O)[O-])c2c1C(=O)C(=NNc1ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc1)C=C2 ZINC000004235247 552451237 /nfs/dbraw/zinc/45/12/37/552451237.db2.gz IZDWNMDAEDEKLW-JQRDNDPDSA-N -2 0 527.540 5.452 40 10 KKCBRL O=C1C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2C1=NNc1ccc(N=Nc2ccccc2)cc1 ZINC000004268055 552455034 /nfs/dbraw/zinc/45/50/34/552455034.db2.gz MMZPCCPEEMZLMP-QSZPNPOGSA-N -3 0 592.589 5.116 40 10 KKCBRL Cc1ccc(N=Nc2c(N)c3c(cc2S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N=Nc2ccc([N+](=O)[O-])cc2)c3O)cc1 ZINC000004523160 552462840 /nfs/dbraw/zinc/46/28/40/552462840.db2.gz PHLREJXSYVJPII-NBHCHVEOSA-N -2 0 586.564 5.668 40 10 KKCBRL Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C(=O)[N-]C1=S ZINC000009260434 553228155 /nfs/dbraw/zinc/22/81/55/553228155.db2.gz ZLWDVMXFYSHIMN-XNTDXEJSSA-N -2 0 501.347 5.091 40 10 KKCBRL O=S(=O)([O-])c1ccc(N=Nc2ccc(N=Nc3c(O)ccc4ccccc43)c(S(=O)(=O)[O-])c2)cc1 ZINC000012405209 553362914 /nfs/dbraw/zinc/36/29/14/553362914.db2.gz BYABGQJPCPYPSZ-RIIXPHEHSA-N -2 0 512.525 5.870 40 10 KKCBRL Nc1c(N=Nc2ccccc2)c(S(=O)(=O)[O-])cc2c1C(=O)C(=NN=C1C=CC(=NNc3ccc(NN=C4C=CC(=O)C=C4)cc3)C=C1)C(S(=O)(=O)[O-])=C2 ZINC000095101018 553699908 /nfs/dbraw/zinc/69/99/08/553699908.db2.gz BWWFTWIRFWFHAZ-BZBRHAISSA-N -2 0 751.763 9.988 40 10 KKCBRL Cc1cc(-c2ccc(/N=N/c3c(N)c(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])ccc43)c(C)c2)ccc1/N=N/c1cc(S(=O)(=O)[O-])c2ccccc2c1N ZINC000095538444 553703044 /nfs/dbraw/zinc/70/30/44/553703044.db2.gz LIFWPZLVTZZVLJ-HVMBLDELSA-N -3 0 760.832 8.012 40 10 KKCBRL Nc1ccc2cc(S(=O)(=O)[O-])cc([O-])c2c1/N=N/c1ccc(-c2ccc(/N=N/c3cc(S(=O)(=O)[O-])c4ccccc4c3N)cc2)cc1 ZINC000095669617 553706733 /nfs/dbraw/zinc/70/67/33/553706733.db2.gz KXXRNNGEMNIAFA-ATXIYDNESA-N -3 0 668.713 7.854 40 10 KKCBRL O=C([O-])c1ccc(COc2ccc(C=C3C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2Br)cc1 ZINC000033358374 553955151 /nfs/dbraw/zinc/95/51/51/553955151.db2.gz BYWDLXQQOBKMBK-UNOMPAQXSA-N -2 0 521.323 5.233 40 10 KKCBRL Nc1cc(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccc(C=Cc3nc4ccccc4[nH]3)cc1)C(S(=O)(=O)[O-])=C2 ZINC000051092775 554328882 /nfs/dbraw/zinc/32/88/82/554328882.db2.gz YFCPNBURVWUWDE-MYEOPQIMSA-N -2 0 565.589 5.083 40 10 KKCBRL COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(=O)[O-])cc2)N3)c1 ZINC000058849431 554368832 /nfs/dbraw/zinc/36/88/32/554368832.db2.gz VKBKVECCPQPBDF-LZCXECNNSA-N -2 0 506.580 5.029 40 10 KKCBRL O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc(Br)cc(Cl)c1[O-] ZINC000059198148 554384463 /nfs/dbraw/zinc/38/44/63/554384463.db2.gz XUNALLSTKXWLEA-SDQBBNPISA-N -2 0 500.530 5.077 40 10 KKCBRL COc1cncnc1[N-]S(=O)(=O)c1ccc(N=Cc2c(C)[n-]n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2=O)cc1 ZINC000101123748 554644064 /nfs/dbraw/zinc/64/40/64/554644064.db2.gz RIKYASOGEZGRBW-OGLMXYFKSA-N -2 0 598.729 5.472 40 10 KKCBRL O=C1C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccc(N=Nc2ccccc2)cc1 ZINC000101147388 554656339 /nfs/dbraw/zinc/65/63/39/554656339.db2.gz QHXMGBJYVJFXEU-HXEHWPEMSA-N -2 0 512.525 5.870 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000101621342 554809282 /nfs/dbraw/zinc/80/92/82/554809282.db2.gz UOLWZIMYQRYRMN-DJKKODMXSA-N -2 0 558.841 5.040 40 10 KKCBRL Cc1ccc(N=Nc2c(O)c3ccc4nc(-c5ccccc5N)sc4c3cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1 ZINC000102312519 554910004 /nfs/dbraw/zinc/91/00/04/554910004.db2.gz BGUKJQQIZFNBHK-BYYHNAKLSA-N -2 0 570.630 5.622 40 10 KKCBRL COc1cc(NC(=O)c2ccc(NC(=O)c3ccc(N)cc3)cc2)c(OC)cc1/N=N/c1cc(C)c(/N=N/c2cc3c(cccc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)cc1C ZINC000150485630 562843451 /nfs/dbraw/zinc/84/34/51/562843451.db2.gz VLUCSPTXKDMVQJ-SWHLYJMESA-N -2 0 837.893 8.885 40 10 KKCBRL CC(=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1)c1c(=O)n(-c2ccc(F)cc2)[n-]c1-c1ccccc1 ZINC000103921163 571369639 /nfs/dbraw/zinc/36/96/39/571369639.db2.gz RDYKQCCSNHVKNF-PLRJNAJWSA-N -2 0 545.596 5.368 40 10 KKCBRL Cc1cc(N=Nc2ccc(C(=O)[O-])cc2)c(N)c(N=Nc2ccc(NN=C3C=CC(=O)C(C(=O)[O-])=C3)cc2)c1N ZINC000104048937 571371664 /nfs/dbraw/zinc/37/16/64/571371664.db2.gz KQHQVUTZYQDCGM-GJBRZTGTSA-N -2 0 538.524 7.508 40 10 KKCBRL Nc1ccc2c(c1)C(=O)C(=NNc1ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc1)C(S(=O)(=O)[O-])=C2 ZINC000104044301 571371672 /nfs/dbraw/zinc/37/16/72/571371672.db2.gz IRGWFPQSVKCDEC-WANSBIPISA-N -2 0 583.582 7.276 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(NC(=O)Nc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)C=CC1=O ZINC000104045179 571371700 /nfs/dbraw/zinc/37/17/00/571371700.db2.gz RGFYLWOAVUGTJI-QTDLIUEZSA-N -2 0 540.492 6.969 40 10 KKCBRL Cc1ccc(N=Nc2c(N)c(C)cc(N=Nc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)c2N)c(S(=O)(=O)[O-])c1 ZINC000104050467 571371775 /nfs/dbraw/zinc/37/17/75/571371775.db2.gz YQRCCACEVOHSDF-OCWMZDIBSA-N -2 0 588.606 7.365 40 10 KKCBRL Cc1cc(S(=O)(=O)[O-])ccc1N=Nc1ccc(NN=C2C=C(S(=O)(=O)[O-])c3ccccc3C2=O)c(C)c1 ZINC000104177463 571375961 /nfs/dbraw/zinc/37/59/61/571375961.db2.gz YECHSGCFTMLMBX-FNBANUKLSA-N -2 0 540.579 6.486 40 10 KKCBRL Cc1ccc(N=Nc2c(O)c3ccc4nc(-c5ccccc5N)sc4c3cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1 ZINC000104221676 571377181 /nfs/dbraw/zinc/37/71/81/571377181.db2.gz BGUKJQQIZFNBHK-DQSJHHFOSA-N -2 0 570.630 5.622 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(N=Nc3c(Nc4ccccc4)ccc4cc(S(=O)(=O)[O-])cc(O)c43)cc2)C=CC1=O ZINC000104367290 571379696 /nfs/dbraw/zinc/37/96/96/571379696.db2.gz ORQRLXUMXSQHJV-UGNJQGKKSA-N -2 0 583.582 7.770 40 10 KKCBRL O=C([O-])C1=C([O-])C=CC(=NNc2ccc(NN=C3C=Cc4c(cccc4S(=O)(=O)[O-])C3=O)c3ccccc23)C1=O ZINC000104370077 571379709 /nfs/dbraw/zinc/37/97/09/571379709.db2.gz ZDJYHTYMDDHACP-OAZKENCHSA-N -3 0 558.528 6.886 40 10 KKCBRL O=C1C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000104381569 571379899 /nfs/dbraw/zinc/37/98/99/571379899.db2.gz OGDZEWOOSQLJRN-RIIXPHEHSA-N -3 0 592.589 5.116 40 10 KKCBRL O=C1c2c(cc(S(=O)(=O)[O-])cc2N=Nc2c(O)ccc3ccccc32)C=C(S(=O)(=O)[O-])C1=NNc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC000150342614 571458751 /nfs/dbraw/zinc/45/87/51/571458751.db2.gz WQWKYALNLSYERE-DXQDNOBYSA-N -3 0 708.708 7.128 40 10 KKCBRL Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=Nc1ccc(C(c2ccccc2)c2ccc(N=Nc3c(C)[n-]n(-c4ccc(S(=O)(=O)[O-])cc4)c3=O)cc2)cc1 ZINC000150349930 571461631 /nfs/dbraw/zinc/46/16/31/571461631.db2.gz NKVJEGDPCFUFKN-QAAKRDENSA-N -3 0 804.867 7.110 40 10 KKCBRL Nc1c(N=Nc2cc(Cl)ccc2Cl)c(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccc(Sc3ccc(NN=C4C=CC(=O)C=C4)cc3)cc1)C(S(=O)(=O)[O-])=C2 ZINC000150366611 571464735 /nfs/dbraw/zinc/46/47/35/571464735.db2.gz XSHXIBNMPNPIGZ-ISLFIYNMSA-N -2 0 824.706 11.031 40 10 KKCBRL COc1cc(/N=N/c2ccc(/N=N\c3ccc4cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4c3)c(C)c2)c(C)cc1NC(=O)c1ccc(NC(=O)c2ccc(N)cc2)cc1 ZINC000150366779 571464866 /nfs/dbraw/zinc/46/48/66/571464866.db2.gz XGVKTMKQXKPGMN-XFBDKGKHSA-N -2 0 807.867 8.876 40 10 KKCBRL Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(-c2ccc(N=Nc3c(Nc4ccccc4)ccc4cc(S(=O)(=O)[O-])cc(O)c43)cc2)cc1 ZINC000150366764 571464873 /nfs/dbraw/zinc/46/48/73/571464873.db2.gz NSBAFKVLNXVWEI-JMAUFSLDSA-N -2 0 695.761 10.233 40 10 KKCBRL COc1cc(/N=N\c2ccc(/N=N/c3cc(NC(C)=O)c(/N=N/c4ccc(S(=O)(=O)[O-])cc4)cc3S(=O)(=O)[O-])c(C)c2)c(C)cc1NC(=O)c1ccc(N)cc1 ZINC000150367699 571465088 /nfs/dbraw/zinc/46/50/88/571465088.db2.gz QQFPSZPPVMLSOY-GJECVFRUSA-N -2 0 799.848 8.845 40 10 KKCBRL COc1cc(NC(=O)c2ccc(NC(=O)c3ccc(N)cc3)cc2)c(OC)cc1/N=N/c1ccc(/N=N/c2ccc3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c3c2)c(C)c1 ZINC000150367741 571465140 /nfs/dbraw/zinc/46/51/40/571465140.db2.gz BALZFKIPWTYHFO-ZDCXGXRMSA-N -2 0 823.866 8.576 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(-c3ccc(S(=O)(=O)[O-])cc3)cc2)c1N ZINC000150367964 571465173 /nfs/dbraw/zinc/46/51/73/571465173.db2.gz POAYBMRAYZGIAQ-OHOLHWRASA-N -2 0 726.775 10.390 40 10 KKCBRL Cc1ccccc1N=Nc1ccc(N=Nc2c(N)c(N=Nc3ccc(-c4ccc(NN=C5C=CC(=O)C(C(=O)[O-])=C5)cc4)cc3)cc(S(=O)(=O)[O-])c2N)c(C)c1 ZINC000150367971 571465200 /nfs/dbraw/zinc/46/52/00/571465200.db2.gz KFYXJYDEUYFMDW-IGHXWLHSSA-N -2 0 768.816 11.447 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(N)cc2)ccc1/N=N\c1ccc(/N=N\c2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc([O-])c32)c2ccccc12 ZINC000150368100 571465203 /nfs/dbraw/zinc/46/52/03/571465203.db2.gz KWKWHGVUTWRHDN-OZNSGRFJSA-N -2 0 710.750 8.166 40 10 KKCBRL Cc1[n-]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000150368286 571465366 /nfs/dbraw/zinc/46/53/66/571465366.db2.gz AXFHOEHARHKREM-NKHVPTTDSA-N -2 0 656.827 7.488 40 10 KKCBRL O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2I)cc1 ZINC000150381584 571467129 /nfs/dbraw/zinc/46/71/29/571467129.db2.gz QNNFKEQCZBDCBW-VCHYOVAHSA-N -2 0 710.287 5.004 40 10 KKCBRL Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=Nc1ccc(-c2ccc(NN=C3C=CC(=O)C(C(=O)[O-])=C3)c(C)c2)cc1C ZINC000150396805 571476716 /nfs/dbraw/zinc/47/67/16/571476716.db2.gz MKPMKGJHFHXYGK-KZXLLFFESA-N -3 0 626.651 6.911 40 10 KKCBRL Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=Nc1ccc(-c2ccc(NN=C3C=CC(=O)C(C(=O)[O-])=C3)c(C)c2)cc1C ZINC000150397219 571476836 /nfs/dbraw/zinc/47/68/36/571476836.db2.gz FLGGPQAQNMECGO-ACCGTFPRSA-N -3 0 626.651 7.651 40 10 KKCBRL Cc1[n-]n(C(=O)CC(=O)Nc2cccc(C)c2)c(=O)c1N=Nc1ccc(S(=O)(=O)c2ccc(N=Nc3c(C)[n-]n(C(=O)CC(=O)Nc4cccc(C)c4)c3=O)cc2)cc1 ZINC000150448554 571501453 /nfs/dbraw/zinc/50/14/53/571501453.db2.gz CGBQIISCEQELFS-KPTMEOCISA-N -2 0 816.857 5.588 40 10 KKCBRL Cc1[n-]n(C(=O)CC(=O)Nc2ccccc2Cl)c(=O)c1N=Nc1ccc(S(=O)(=O)c2ccc(N=Nc3c(C)[n-]n(C(=O)CC(=O)Nc4ccccc4Cl)c3=O)cc2)cc1 ZINC000150448501 571501469 /nfs/dbraw/zinc/50/14/69/571501469.db2.gz GRDJGKGOFBCOEO-VLCUIAGRSA-N -2 0 857.693 6.278 40 10 KKCBRL O=C1C=Cc2ccccc2C1=NNc1ccc(C=Cc2ccc(NN=C3C(=O)C=Cc4ccccc43)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1 ZINC000150468361 571508419 /nfs/dbraw/zinc/50/84/19/571508419.db2.gz ITHIYCYVWVTJNE-AWMHTXBWSA-N -2 0 680.720 8.899 40 10 KKCBRL Cc1cc(C)c(N=Nc2cc(C)c(NN=C3C(=O)c4ccc(Nc5ccccc5)cc4C=C3S(=O)(=O)[O-])cc2C)c(S(=O)(=O)[O-])c1 ZINC000150476905 571511099 /nfs/dbraw/zinc/51/10/99/571511099.db2.gz AVGNPNVKTQEJNK-XVIRNCMOSA-N -2 0 659.746 8.847 40 10 KKCBRL COc1cc(N=Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc([O-])c32)c(C)cc1N=Nc1c(O)c2ccc(Nc3ccccc3)cc2cc1S(=O)(=O)[O-] ZINC000150476967 571511109 /nfs/dbraw/zinc/51/11/09/571511109.db2.gz OJWWQROAEXSSTO-PKJKGCPLSA-N -4 0 793.814 8.036 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(-c3ccc(N=Nc4ccc(NN=C5C=CC(=O)C(C(=O)[O-])=C5)c5cc(S(=O)(=O)[O-])ccc45)cc3)cc2)C=CC1=O ZINC000150478984 571511576 /nfs/dbraw/zinc/51/15/76/571511576.db2.gz AUTINFVSBXCWKB-QJSTZAKQSA-N -3 0 716.688 9.807 40 10 KKCBRL Cc1cc(-c2ccc(NN=C3C(=O)c4c(N)cc(S(=O)(=O)[O-])cc4C=C3S(=O)(=O)[O-])c(C)c2)ccc1NN=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O ZINC000150478967 571511599 /nfs/dbraw/zinc/51/15/99/571511599.db2.gz NOFURVVUAXWPPB-WVCCOWEBSA-N -3 0 777.815 7.841 40 10 KKCBRL Cc1cc(/N=N\c2ccc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)c3ccc(S(=O)(=O)[O-])cc23)ccc1/N=N/c1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1 ZINC000150482858 571513493 /nfs/dbraw/zinc/51/34/93/571513493.db2.gz GVSVWYKBBAIBAQ-SLUYZXPDSA-N -2 0 814.858 9.836 40 10 KKCBRL O=C(Nc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1)c1ccc(NN=C2C=C(S(=O)(=O)[O-])c3ccccc3C2=O)cc1 ZINC000150485378 571515717 /nfs/dbraw/zinc/51/57/17/571515717.db2.gz REMRICIEHNMMRH-QUVVFHLXSA-N -2 0 631.648 7.122 40 10 KKCBRL Cc1ccccc1N=Nc1ccc(NN=C2C(=O)c3c(N)c(N=Nc4ccc([N+](=O)[O-])cc4)c(S(=O)(=O)[O-])cc3C=C2S(=O)(=O)[O-])c(C)c1 ZINC000150485393 571515762 /nfs/dbraw/zinc/51/57/62/571515762.db2.gz CLJQREPWTVFCEV-RKPDSKFESA-N -2 0 704.703 8.392 40 10 KKCBRL COc1cc(N=Nc2ccc(-c3ccc(N=Nc4c(N)c5c(cc4S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C(=NNc4ccccc4)C5=O)cc3)cc2)c(C)cc1N ZINC000150485186 571515796 /nfs/dbraw/zinc/51/57/96/571515796.db2.gz IUOAZLCHXMJGSD-DGMOSHDYSA-N -2 0 766.818 9.433 40 10 KKCBRL Cc1cc(N)ccc1N=Nc1ccc(-c2ccc(NN=C3C(=O)c4c(N)c(N=Nc5ccc([N+](=O)[O-])cc5)c(S(=O)(=O)[O-])cc4C=C3S(=O)(=O)[O-])cc2)cc1 ZINC000150485492 571515958 /nfs/dbraw/zinc/51/59/58/571515958.db2.gz PGHYOTNKBLUUTR-BNKWPBLOSA-N -2 0 781.789 9.333 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(NC(=O)c3ccc(N)cc3)cc2)ccc1N=Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccc3cc(S(=O)(=O)[O-])ccc3c1)C2=O ZINC000150485667 571516018 /nfs/dbraw/zinc/51/60/18/571516018.db2.gz IVIZYDSICQSNIS-OCQXYXTHSA-N -2 0 829.873 9.418 40 10 KKCBRL Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccc(NN=C3C(=O)c4ccc(NN=C5C=CC(=O)C=C5)cc4C=C3S(=O)(=O)[O-])cc1)C2=O ZINC000150587651 571521977 /nfs/dbraw/zinc/52/19/77/571521977.db2.gz LSFAVYFZVALMBH-YJKJYERWSA-N -2 0 713.710 8.432 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Br)cc1 ZINC000164448570 571548003 /nfs/dbraw/zinc/54/80/03/571548003.db2.gz UJPSUCCTPQVSHK-GIJQJNRQSA-N -2 0 634.664 5.809 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000164461682 571548149 /nfs/dbraw/zinc/54/81/49/571548149.db2.gz AODAHFBHYBCARH-VXLYETTFSA-N -2 0 677.245 5.006 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000164462827 571548352 /nfs/dbraw/zinc/54/83/52/571548352.db2.gz WJDXMOHSPKBUEM-VXLYETTFSA-N -2 0 630.245 5.164 40 10 KKCBRL COc1ccccc1NC(=O)C(N=Nc1ccc(-c2nc3ccc(C)c(S(=O)(=O)[O-])c3s2)cc1S(=O)(=O)[O-])C(C)=O ZINC000299888387 572141124 /nfs/dbraw/zinc/14/11/24/572141124.db2.gz HHYSEQAHYOCMSH-UXOJLABKSA-N -2 0 618.671 5.286 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(NN=C3C=Cc4c(cccc4S(=O)(=O)[O-])C3=O)c3ccccc23)C=CC1=O ZINC000299888625 572141706 /nfs/dbraw/zinc/14/17/06/572141706.db2.gz QWCXGCLBCQTHKA-UHFFFAOYSA-N -2 0 542.529 7.180 40 10 KKCBRL O=C([O-])c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3Br)C2=O)cc1 ZINC000408531796 572177461 /nfs/dbraw/zinc/17/74/61/572177461.db2.gz LRKQOQXSDAYHIG-KGENOOAVSA-N -2 0 564.436 5.194 40 10 KKCBRL CCOc1ccc(N=Nc2ccc(/C=C/c3ccc(N=Nc4ccc(OCC)cc4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)cc1 ZINC000256128172 572305609 /nfs/dbraw/zinc/30/56/09/572305609.db2.gz AVERNFJXXRIVQN-XSDYUOFFSA-N -2 0 636.708 7.979 40 10 KKCBRL CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1cc(Br)c([O-])c(Br)c1 ZINC000108422818 1069716753 /nfs/dbraw/zinc/71/67/53/1069716753.db2.gz PLZITSFMDGEYFX-WCIBSUBMSA-N -2 0 514.557 5.075 40 10 KKCBRL O=C([O-])c1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408903806 1070187937 /nfs/dbraw/zinc/18/79/37/1070187937.db2.gz ZPNSKSLJCKTNHP-BUVRLJJBSA-N -2 0 571.383 5.546 40 10 KKCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3c(OCc4cccc5ccccc54)ccc4ccccc43)C2=O)cc1 ZINC000408939430 1070282601 /nfs/dbraw/zinc/28/26/01/1070282601.db2.gz MMLJXJFXWAFMSH-MTDXEUNCSA-N -2 0 542.547 5.937 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409067892 1070484801 /nfs/dbraw/zinc/48/48/01/1070484801.db2.gz DPYHSMXWODCNLU-YBFXNURJSA-N -2 0 569.397 5.644 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409192119 1070609910 /nfs/dbraw/zinc/60/99/10/1070609910.db2.gz ANUPGILZJBLISL-VCHYOVAHSA-N -2 0 558.841 5.040 40 10 KKCBRL COc1ccc(-c2[n-]n(-c3nc4ccccc4s3)c(=O)c2C(C)=Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)cc1 ZINC000103922605 1070934979 /nfs/dbraw/zinc/93/49/79/1070934979.db2.gz BKWNURVQBIDNFQ-XHPQRKPJSA-N -2 0 614.709 5.848 40 10 KKCBRL COc1ccc(-c2[n-]n(-c3ccc(F)cc3)c(=O)c2C(C)=Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)cc1 ZINC000103922600 1070934989 /nfs/dbraw/zinc/93/49/89/1070934989.db2.gz XMSGLBRIUBQXSY-XHPQRKPJSA-N -2 0 575.622 5.377 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408936391 1071213466 /nfs/dbraw/zinc/21/34/66/1071213466.db2.gz FXGLXHUOYXQXKW-RGVLZGJSSA-N -2 0 644.272 5.554 40 10 KKCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3c(OCc4ccc(Cl)cc4)ccc4ccccc43)C2=O)cc1 ZINC000408935865 1071217346 /nfs/dbraw/zinc/21/73/46/1071217346.db2.gz DWWODDIAJPZLGR-BUVRLJJBSA-N -2 0 526.932 5.437 40 10 KKCBRL COc1cc(-c2ccc(NN=C3C=Cc4c(S(=O)(=O)[O-])ccc(N)c4C3=O)c(OC)c2)ccc1NN=C1C=Cc2c(S(=O)(=O)[O-])ccc(N)c2C1=O ZINC000150460417 1071327040 /nfs/dbraw/zinc/32/70/40/1071327040.db2.gz LJYNGPGCTAINSF-YKSAKOAQSA-N -2 0 744.764 7.577 40 10 KKCBRL Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)o1 ZINC000408947944 1071367482 /nfs/dbraw/zinc/36/74/82/1071367482.db2.gz DWJMUERSIKGLBF-MZJWZYIUSA-N -2 0 550.611 6.087 40 10 KKCBRL O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\c1cc(Br)cc(Cl)c1[O-] ZINC000408953311 1071397654 /nfs/dbraw/zinc/39/76/54/1071397654.db2.gz PQYFPIILQIRLAE-NKVSQWTQSA-N -2 0 555.856 5.942 40 10 KKCBRL Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1ccc(OC(=O)c2ccc(F)cc2)cc1 ZINC000408987487 1071613443 /nfs/dbraw/zinc/61/34/43/1071613443.db2.gz OWJJFCSXGMMLOH-UHFFFAOYSA-N -2 0 574.612 6.625 40 10 KKCBRL Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C(=O)[N-]C1=S ZINC000409002196 1071641778 /nfs/dbraw/zinc/64/17/78/1071641778.db2.gz YXKRLPQEJXEMCX-GIJQJNRQSA-N -2 0 803.210 6.075 40 10 KKCBRL Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(C(=O)[O-])cc3)C2=O)ccc1Br ZINC000408752494 1071664471 /nfs/dbraw/zinc/66/44/71/1071664471.db2.gz AXLLBRIMVILKTR-UDWIEESQSA-N -2 0 614.246 5.464 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408760365 1071696965 /nfs/dbraw/zinc/69/69/65/1071696965.db2.gz XKCPPQHSJLOIFF-RGVLZGJSSA-N -2 0 613.848 5.753 40 10 KKCBRL O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)o2)cc1Cl ZINC000408772733 1071772968 /nfs/dbraw/zinc/77/29/68/1071772968.db2.gz FKVQUWRCLGNGQU-NTEUORMPSA-N -2 0 521.765 5.436 40 10 KKCBRL Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)[N-]C2=S)c1 ZINC000408788263 1071899576 /nfs/dbraw/zinc/89/95/76/1071899576.db2.gz DGWDQHFPERIRMQ-CIAFOILYSA-N -2 0 612.445 5.017 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000409065868 1072006697 /nfs/dbraw/zinc/00/66/97/1072006697.db2.gz KUXLXEMASPHXNB-LICLKQGHSA-N -2 0 634.664 5.809 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Cl)cc1 ZINC000409076141 1072053246 /nfs/dbraw/zinc/05/32/46/1072053246.db2.gz YKGHVOPUIHJJHF-AFUMVMLFSA-N -2 0 617.441 6.516 40 10 KKCBRL O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Cl)cc1 ZINC000409074019 1072071125 /nfs/dbraw/zinc/07/11/25/1072071125.db2.gz JMPYYVUKGZNWLS-RQZCQDPDSA-N -2 0 545.762 5.590 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409073681 1072072790 /nfs/dbraw/zinc/07/27/90/1072072790.db2.gz RCJIASVXTOQWMV-CVKSISIWSA-N -2 0 613.022 5.871 40 10 KKCBRL Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1C ZINC000409069771 1072100028 /nfs/dbraw/zinc/10/00/28/1072100028.db2.gz WKXTZOORGRHWGO-SRZZPIQSSA-N -2 0 628.273 5.772 40 10 KKCBRL CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000409125225 1072461269 /nfs/dbraw/zinc/46/12/69/1072461269.db2.gz CPWSFHYHMHNSKZ-LPYMAVHISA-N -2 0 613.450 5.730 40 10 KKCBRL CCCCCCOc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[n-]n(-c3ccccc3)c2=O)cc1OC ZINC000409337806 1072491036 /nfs/dbraw/zinc/49/10/36/1072491036.db2.gz WKDVMRZZEBCWKN-UHFFFAOYSA-N -2 0 566.702 7.234 40 10 KKCBRL CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000409148671 1072641654 /nfs/dbraw/zinc/64/16/54/1072641654.db2.gz ZNYYUYSOKWNLAR-HZHRSRAPSA-N -2 0 579.005 5.077 40 10 KKCBRL CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4cccc(C(=O)[O-])c4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409386947 1072684501 /nfs/dbraw/zinc/68/45/01/1072684501.db2.gz OXIKHVCXZGXCSX-CIAFOILYSA-N -2 0 595.471 5.129 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409385544 1072692066 /nfs/dbraw/zinc/69/20/66/1072692066.db2.gz LFEWGONDDUVZIA-RWPZCVJISA-N -2 0 623.775 6.867 40 10 KKCBRL COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409185299 1072772084 /nfs/dbraw/zinc/77/20/84/1072772084.db2.gz WDOSYILONVDMCC-SFQUDFHCSA-N -2 0 557.411 5.111 40 10 KKCBRL C[C@@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)ccc21 ZINC000409192453 1072825698 /nfs/dbraw/zinc/82/56/98/1072825698.db2.gz XNWWNVCKXGFWLS-LHQXQZTBSA-N -2 0 537.616 5.421 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409192086 1072857390 /nfs/dbraw/zinc/85/73/90/1072857390.db2.gz UOSCSHJLBIGQDG-WGOQTCKBSA-N -2 0 598.662 5.683 40 10 KKCBRL O=C([O-])c1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)C(=O)[N-]C2=S)cc1 ZINC000409190440 1072870914 /nfs/dbraw/zinc/87/09/14/1072870914.db2.gz NJTUPLUYRWPIFQ-RRAHZORUSA-N -2 0 569.642 6.341 40 10 KKCBRL O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)s3)C(=O)[N-]C2=S)cc1 ZINC000409189437 1072875791 /nfs/dbraw/zinc/87/57/91/1072875791.db2.gz GOWQIGPJXFPEOB-GZTJUZNOSA-N -2 0 501.010 5.082 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409188695 1072880407 /nfs/dbraw/zinc/88/04/07/1072880407.db2.gz KADVPWPOODBMDG-WGOQTCKBSA-N -2 0 586.069 5.856 40 10 KKCBRL O=c1c(N=Nc2ccc([N+](=O)[O-])cc2)cc(=NNc2ccc(Nc3ccccc3)c(S(=O)(=O)[O-])c2)c(=O)c1=NNc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(O)c21 ZINC001570007907 1073198670 /nfs/dbraw/zinc/19/86/70/1073198670.db2.gz XSCNVMLGADMOOU-AMKDMJSRSA-N -3 0 864.809 8.595 40 10 KKCBRL Nc1ccc(N=Nc2c(N)c3c(cc2S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C(=NNc2ccccc2)C3=O)cc1 ZINC000004235571 552451522 /nfs/dbraw/zinc/45/15/22/552451522.db2.gz GBUZSOVDCZSPKS-JOSXGXAISA-N -2 0 542.555 5.034 40 10 KKCBRL O=c1ccc2ccc(=O)c(=NNc3ccc(S(=O)(=O)[O-])c4ccccc34)c=2c1=NNc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC000004265584 552454626 /nfs/dbraw/zinc/45/46/26/552454626.db2.gz JRPKRQCTTFJNQZ-FMWAKIAMSA-N -2 0 628.644 7.882 40 10 KKCBRL Cc1ccc(N=Nc2cc(C)c(S(=O)(=O)[O-])cc2N=Nc2c(O)ccc3ccccc32)cc1S(=O)(=O)[O-] ZINC000004265577 552454654 /nfs/dbraw/zinc/45/46/54/552454654.db2.gz YZKUEBBGIVFUGL-PAMTUDGESA-N -2 0 540.579 6.486 40 10 KKCBRL Nc1ccc(/N=N/c2ccc(-c3ccc(/N=N/c4ccc(N)c5cc(S(=O)(=O)[O-])ccc45)cc3)cc2)c2ccc(S(=O)(=O)[O-])cc12 ZINC000004523172 552462872 /nfs/dbraw/zinc/46/28/72/552462872.db2.gz ICGRLKBLKOYWSO-ATXIYDNESA-N -2 0 652.714 8.149 40 10 KKCBRL Cc1cc(S(=O)(=O)[O-])c(N)c(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)c(C)c3)cc2C)c1N ZINC000004705999 552471983 /nfs/dbraw/zinc/47/19/83/552471983.db2.gz QYRKLZKJMKCVSE-HSBKYFPUSA-N -2 0 574.619 6.925 40 10 KKCBRL COc1ccccc1NN=C1C(=O)c2c(N)c(N=Nc3ccc([N+](=O)[O-])cc3)c(S(=O)(=O)[O-])cc2C=C1S(=O)(=O)[O-] ZINC000004707604 552472309 /nfs/dbraw/zinc/47/23/09/552472309.db2.gz UOCOMQICCFXDGK-NBHCHVEOSA-N -2 0 602.563 5.369 40 10 KKCBRL COc1cc(N=Nc2ccc(S(=O)(=O)[O-])cc2)ccc1NN=C1C=Cc2c(cccc2S(=O)(=O)[O-])C1=O ZINC000004758267 552476166 /nfs/dbraw/zinc/47/61/66/552476166.db2.gz KSZLXLWAIZSTTP-JQRDNDPDSA-N -2 0 542.551 5.878 40 10 KKCBRL Nc1cc(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccc(C=Cc3nc4ccccc4[nH]3)cc1)C(S(=O)(=O)[O-])=C2 ZINC000006133690 552535285 /nfs/dbraw/zinc/53/52/85/552535285.db2.gz YFCPNBURVWUWDE-PMMYEFONSA-N -2 0 565.589 5.083 40 10 KKCBRL Nc1cc(N)c(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1N=Nc1ccc(-c2ccc(NN=C3C=CC(=O)C(C(=O)[O-])=C3)cc2)cc1 ZINC000072147667 553645352 /nfs/dbraw/zinc/64/53/52/553645352.db2.gz ZPTZVNALDNIANP-GMHCBVOVSA-N -2 0 636.650 8.415 40 10 KKCBRL O=C1C=Cc2cccc(S(=O)(=O)[O-])c2C1=NNc1ccc(-c2ccc(NN=C3C(=O)c4c(cccc4S(=O)(=O)[O-])C=C3S(=O)(=O)[O-])cc2)cc1 ZINC000095100329 553698744 /nfs/dbraw/zinc/69/87/44/553698744.db2.gz JWCPTRZEQHAVOA-LBYUQGKWSA-N -3 0 734.746 7.642 40 10 KKCBRL O=C1C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccc(N=Nc2ccc3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c3c2)c2ccccc12 ZINC000095101012 553699844 /nfs/dbraw/zinc/69/98/44/553699844.db2.gz XMHWQPDYMZHMSD-HSBKYFPUSA-N -4 0 772.773 6.669 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(N=Nc3cc(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])ccc43)c3ccc(S(=O)(=O)[O-])cc23)C=CC1=O ZINC000095101013 553699898 /nfs/dbraw/zinc/69/98/98/553699898.db2.gz MBLSFSFDEPYTNK-DUJDKOHPSA-N -4 0 686.658 5.968 40 10 KKCBRL Cc1cc(-c2ccc(NN=C3C(=O)c4c(N)cc(S(=O)(=O)[O-])cc4C=C3S(=O)(=O)[O-])c(C)c2)ccc1NN=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O ZINC000095544760 553703405 /nfs/dbraw/zinc/70/34/05/553703405.db2.gz NOFURVVUAXWPPB-NFSGFYSESA-N -3 0 777.815 7.841 40 10 KKCBRL Cc1cc(-c2ccc(/N=N/c3c(N)c(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])ccc43)c(C)c2)ccc1/N=N/c1c(N)ccc2cc(S(=O)(=O)[O-])ccc21 ZINC000096174462 553727183 /nfs/dbraw/zinc/72/71/83/553727183.db2.gz OFGVQLJUXSRVEG-HVMBLDELSA-N -3 0 760.832 8.012 40 10 KKCBRL Nc1ccc2c(c1)C(=O)C(=NNc1ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc1)C(S(=O)(=O)[O-])=C2 ZINC000033352900 553922501 /nfs/dbraw/zinc/92/25/01/553922501.db2.gz IRGWFPQSVKCDEC-FMWAKIAMSA-N -2 0 583.582 7.276 40 10 KKCBRL Nc1cccc(NN=C2C(=O)c3ccc(Nc4ccc5c(c4)C=C(S(=O)(=O)[O-])C(=NNc4cccc(N)c4)C5=O)cc3C=C2S(=O)(=O)[O-])c1 ZINC000033352865 553922483 /nfs/dbraw/zinc/92/24/83/553922483.db2.gz LLKHTJLAXJEXHT-NFSGFYSESA-N -2 0 699.727 7.636 40 10 KKCBRL COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000059104301 554379693 /nfs/dbraw/zinc/37/96/93/554379693.db2.gz RZPBVZPAUHNEHW-ZVBGSRNCSA-N -2 0 517.538 5.284 40 10 KKCBRL CCOc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000059136162 554382366 /nfs/dbraw/zinc/38/23/66/554382366.db2.gz RWQDNBDROSLKSX-CPNJWEJPSA-N -2 0 520.538 5.173 40 10 KKCBRL O=C([O-])c1cc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(/N=N/c4ccccc4)cc2)C3=O)cc(C(=O)[O-])c1 ZINC000100497797 554404872 /nfs/dbraw/zinc/40/48/72/554404872.db2.gz XWCOFLMQDZVXAW-QNEJGDQOSA-N -2 0 534.484 5.551 40 10 KKCBRL O=C1C=Cc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2C1=NNc1ccc(N=Nc2ccccc2)cc1 ZINC000101466377 554780822 /nfs/dbraw/zinc/78/08/22/554780822.db2.gz PIEQFSVTZMAUJA-RUFRKCMOSA-N -2 0 512.525 5.870 40 10 KKCBRL Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc(-c3ccc(NN=C4C=CC(=O)C=C4S(=O)(=O)[O-])cc3)cc1)c2O ZINC000102312489 554910053 /nfs/dbraw/zinc/91/00/53/554910053.db2.gz LBGIGKKBCWDMBD-RRPBDJRISA-N -2 0 619.637 6.824 40 10 KKCBRL Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)o1 ZINC000103842004 571362404 /nfs/dbraw/zinc/36/24/04/571362404.db2.gz QXFFAVKKTWBZSH-MZJWZYIUSA-N -2 0 550.611 6.087 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Cl)cc1 ZINC000103858618 571366691 /nfs/dbraw/zinc/36/66/91/571366691.db2.gz CONANJACUXMDEE-GIJQJNRQSA-N -2 0 590.213 5.700 40 10 KKCBRL Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000103873366 571368390 /nfs/dbraw/zinc/36/83/90/571368390.db2.gz ZFEJNIIKCOWKDH-QRQIAZFYSA-N -2 0 593.661 5.856 40 10 KKCBRL O=c1ccc(=NNc2ccc(S(=O)(=O)[O-])c3ccccc23)c(=O)c1=NNc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC000104045330 571371654 /nfs/dbraw/zinc/37/16/54/571371654.db2.gz FNPVZVCEDZMLGA-JOKXDOCYSA-N -2 0 578.584 6.728 40 10 KKCBRL CC1=CC(=NNc2ccc(-c3ccc(NN=C4C=C(C)C(=O)C(C(=O)[O-])=C4)cc3)cc2)C=C(C(=O)[O-])C1=O ZINC000104221772 571377238 /nfs/dbraw/zinc/37/72/38/571377238.db2.gz VKWTWQFXBPNXLB-SZDCHMHBSA-N -2 0 510.506 7.609 40 10 KKCBRL Cc1cc(N=Nc2ccc(N=Nc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)c(S(=O)(=O)[O-])c2C)c(N)cc1N ZINC000104367261 571379620 /nfs/dbraw/zinc/37/96/20/571379620.db2.gz VWFBJVZMOBJQJL-OCWMZDIBSA-N -2 0 588.606 7.365 40 10 KKCBRL Nc1c(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc(S(=O)(=O)[O-])c2c1C(=O)C(=NNc1ccc([N+](=O)[O-])cc1)C=C2 ZINC000104370049 571379660 /nfs/dbraw/zinc/37/96/60/571379660.db2.gz DXTNAPUMANMBMM-DQAYTMIDSA-N -2 0 572.537 5.360 40 10 KKCBRL O=C([O-])C1=C([O-])C=CC(=NNc2ccc(NN=C3C=Cc4c(cccc4S(=O)(=O)[O-])C3=O)c3ccccc23)C1=O ZINC000104370074 571379666 /nfs/dbraw/zinc/37/96/66/571379666.db2.gz ZDJYHTYMDDHACP-BRMDCIMDSA-N -3 0 558.528 6.886 40 10 KKCBRL Cc1cc(N=Nc2ccc(N=Nc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)c(S(=O)(=O)[O-])c2C)c(N)cc1N ZINC000104367269 571379672 /nfs/dbraw/zinc/37/96/72/571379672.db2.gz VWFBJVZMOBJQJL-YYJPQMRKSA-N -2 0 588.606 7.365 40 10 KKCBRL COc1cc(N=Nc2ccc(S(=O)(=O)[O-])cc2)ccc1NN=C1C(=O)C=Cc2cc(S(=O)(=O)[O-])ccc21 ZINC000104389077 571379882 /nfs/dbraw/zinc/37/98/82/571379882.db2.gz JJPGXAVPIMHUCQ-DYORGOFNSA-N -2 0 542.551 5.878 40 10 KKCBRL O=C1C=Cc2ccc(S(=O)(=O)[O-])cc2C1=NNc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000104381541 571379918 /nfs/dbraw/zinc/37/99/18/571379918.db2.gz MNWZRTYAQWJKPK-RUFRKCMOSA-N -2 0 512.525 5.870 40 10 KKCBRL O=C1c2ccccc2C=C(S(=O)(=O)[O-])C1=NNc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000104389446 571379991 /nfs/dbraw/zinc/37/99/91/571379991.db2.gz POZWNRJWLYUOAY-RIIXPHEHSA-N -2 0 512.525 5.870 40 10 KKCBRL O=C([O-])c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(/N=N/c4ccccc4)cc2)C3=O)cc1C(=O)[O-] ZINC000105414789 571404712 /nfs/dbraw/zinc/40/47/12/571404712.db2.gz WBNMOWJZZPWHAM-QNEJGDQOSA-N -2 0 534.484 5.551 40 10 KKCBRL COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccc5ccccc5c4S(=O)(=O)[O-])c3=O)n2)cc1 ZINC000105570813 571407683 /nfs/dbraw/zinc/40/76/83/571407683.db2.gz ILJNDTJGOZJODK-ZPKNHPDFSA-N -2 0 521.580 5.094 40 10 KKCBRL Cc1cc(-c2ccc(/N=N\c3cc(S(=O)(=O)[O-])c4ccccc4c3N)c(C)c2)ccc1/N=N/c1cc(S(=O)(=O)[O-])c2ccccc2c1N ZINC000150338652 571457077 /nfs/dbraw/zinc/45/70/77/571457077.db2.gz PYPYDHUIORYEHW-NGHPONOGSA-N -2 0 680.768 8.765 40 10 KKCBRL Cc1cc(-c2ccc(/N=N\c3cc(S(=O)(=O)[O-])c4ccccc4c3N)c(C)c2)ccc1/N=N\c1cc(S(=O)(=O)[O-])c2ccccc2c1N ZINC000150338651 571457118 /nfs/dbraw/zinc/45/71/18/571457118.db2.gz PYPYDHUIORYEHW-YKSAKOAQSA-N -2 0 680.768 8.765 40 10 KKCBRL Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccc3c(O)c(N=Nc4c(Br)cc(Br)c5ccc(S(=O)(=O)[O-])cc54)c(S(=O)(=O)[O-])cc3c1)C2=O ZINC000150341689 571458277 /nfs/dbraw/zinc/45/82/77/571458277.db2.gz WDBYFLKQKSKNDL-IRBDSUPESA-N -3 0 881.515 8.236 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(-c3ccc(NN=C4C(=O)c5cc(Nc6ccccc6)ccc5C=C4S(=O)(=O)[O-])cc3)cc2)C=CC1=O ZINC000150344066 571459174 /nfs/dbraw/zinc/45/91/74/571459174.db2.gz GNBQDUZSFCDONM-HVMBLDELSA-N -2 0 659.680 9.437 40 10 KKCBRL Nc1ccc2cc(S(=O)(=O)[O-])cc(O)c2c1/N=N\c1ccc(-c2ccc(/N=N\c3c(N)ccc4cc(S(=O)(=O)[O-])cc(O)c43)cc2)cc1 ZINC000150366647 571464751 /nfs/dbraw/zinc/46/47/51/571464751.db2.gz MPTZYMIJXLJHHT-JXPYRENWSA-N -2 0 684.712 7.560 40 10 KKCBRL Cc1cc(-c2ccc(NN=C3C(=O)c4c(cccc4S(=O)(=O)[O-])C=C3S(=O)(=O)[O-])c(C)c2)ccc1NN=C1C=Cc2c(S(=O)(=O)[O-])ccc(N)c2C1=O ZINC000150366663 571464855 /nfs/dbraw/zinc/46/48/55/571464855.db2.gz YVWGWDRWIHADMC-VAXAQTQESA-N -3 0 777.815 7.841 40 10 KKCBRL Cc1ccc(N=Nc2ccc(N=Nc3c(O)c4ccc(Nc5ccccc5)cc4cc3S(=O)(=O)[O-])c3ccc(S(=O)(=O)[O-])cc23)cc1 ZINC000150366756 571464872 /nfs/dbraw/zinc/46/48/72/571464872.db2.gz HUSNTUZPAOLOFK-HSXOZYESSA-N -2 0 667.725 9.075 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(NC(=O)c3ccc(N)cc3)cc2)ccc1N=Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc(S(=O)(=O)[O-])cc1C)c2O ZINC000150367720 571465134 /nfs/dbraw/zinc/46/51/34/571465134.db2.gz UNJBQHJKVLTHLE-ZFOKAIGLSA-N -2 0 793.840 8.573 40 10 KKCBRL COc1cc(/N=N\c2ccc(/N=N/c3cc(NC(C)=O)c(/N=N\c4ccc(S(=O)(=O)[O-])cc4)cc3S(=O)(=O)[O-])c(C)c2)c(C)cc1NC(=O)c1ccc(N)cc1 ZINC000150367696 571465154 /nfs/dbraw/zinc/46/51/54/571465154.db2.gz QQFPSZPPVMLSOY-LRESVXGASA-N -2 0 799.848 8.845 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(NN=C3C=C(S(=O)(=O)[O-])c4ccccc4C3=O)cc2)ccc1N=Nc1ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2c1 ZINC000150368097 571465254 /nfs/dbraw/zinc/46/52/54/571465254.db2.gz RXKPZLKFMWDJHX-QZHOZIARSA-N -3 0 775.799 7.830 40 10 KKCBRL COc1cc(/N=N/c2cc(NC(C)=O)c(/N=N\c3ccc(C(=O)[O-])cc3)cc2S(=O)(=O)[O-])c(C)cc1/N=N/c1ccc(NC(=O)c2ccc(N)cc2)cc1C ZINC000150368217 571465267 /nfs/dbraw/zinc/46/52/67/571465267.db2.gz DWFSGTVQPKEOPK-OHOLHWRASA-N -2 0 763.793 9.296 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(-c3ccc(NN=C4C(=O)c5ccc(Nc6ccccc6)cc5C=C4S(=O)(=O)[O-])cc3)cc2)C=CC1=O ZINC000150368147 571465269 /nfs/dbraw/zinc/46/52/69/571465269.db2.gz RZAHKAAVHNDUQR-NGHPONOGSA-N -2 0 659.680 9.437 40 10 KKCBRL CC(=O)Nc1cc(/N=N/c2ccc(/N=N/c3ccc(NC(=O)c4ccc(N)cc4)cc3C)cc2C)c(S(=O)(=O)[O-])cc1/N=N\c1cccc(C(=O)[O-])c1 ZINC000150368192 571465350 /nfs/dbraw/zinc/46/53/50/571465350.db2.gz NVUVXNHUZFYHLD-AFDKTXEVSA-N -2 0 733.767 9.287 40 10 KKCBRL Nc1c(N=Nc2ccc(-c3ccc(NN=C4C=C(S(=O)(=O)[O-])c5ccccc5C4=O)cc3)cc2)cc(S(=O)(=O)[O-])c2ccccc12 ZINC000150386555 571469432 /nfs/dbraw/zinc/46/94/32/571469432.db2.gz TZCACGMZCLGYSG-XVIRNCMOSA-N -2 0 653.698 8.272 40 10 KKCBRL Cc1cc(-c2ccc(NN=C3C(=O)c4c(O)cc(S(=O)(=O)[O-])cc4C=C3S(=O)(=O)[O-])c(C)c2)ccc1NN=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O ZINC000150386626 571469436 /nfs/dbraw/zinc/46/94/36/571469436.db2.gz VKYPCMAKLFPTTC-LYERXDRPSA-N -3 0 778.799 7.965 40 10 KKCBRL Cc1[n-]n(C(=O)CC(=O)Nc2ccc(C)cc2)c(=O)c1N=Nc1ccc(S(=O)(=O)c2ccc(N=Nc3c(C)[n-]n(C(=O)CC(=O)Nc4ccc(C)cc4)c3=O)cc2)cc1 ZINC000150448576 571501524 /nfs/dbraw/zinc/50/15/24/571501524.db2.gz VXIOZNKRTFJDBO-KPTMEOCISA-N -2 0 816.857 5.588 40 10 KKCBRL CCO[P@](=O)([O-])[C@H](Nc1ccc(/N=N/c2ccccc2)cc1)c1cccc([C@@H](Nc2ccc(/N=N\c3ccccc3)cc2)[P@@](=O)([O-])OCC)c1 ZINC000150448697 571501696 /nfs/dbraw/zinc/50/16/96/571501696.db2.gz JFMIEKLEKYPQNC-IFJBXNFPSA-N -2 0 712.684 11.183 40 10 KKCBRL O=C1C=CC(=NNc2ccc(C=Cc3ccc(NN=C4C=CC(=O)c5ccccc54)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)c2ccccc21 ZINC000150468338 571508456 /nfs/dbraw/zinc/50/84/56/571508456.db2.gz YGDXUVZMTOEEOK-WYNLQFTPSA-N -2 0 680.720 8.899 40 10 KKCBRL O=C([O-])C1=Cc2ccccc2C(=NNc2ccc(C=Cc3ccc(NN=C4C(=O)C(C(=O)[O-])=Cc5ccccc54)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)C1=O ZINC000150468370 571508459 /nfs/dbraw/zinc/50/84/59/571508459.db2.gz BDXUBDHCCBUMEP-LBXPJMEZSA-N -4 0 768.738 8.295 40 10 KKCBRL Cc1cc(C)c(N=Nc2cc(C)c(NN=C3C(=O)c4ccc(Nc5ccccc5)cc4C=C3S(=O)(=O)[O-])cc2C)c(S(=O)(=O)[O-])c1 ZINC000150476902 571511022 /nfs/dbraw/zinc/51/10/22/571511022.db2.gz AVGNPNVKTQEJNK-IRBDSUPESA-N -2 0 659.746 8.847 40 10 KKCBRL Nc1cccc(C(=O)Nc2ccc3c(c2)C=C(S(=O)(=O)[O-])C(=NNc2ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc2)C3=O)c1 ZINC000150476858 571511041 /nfs/dbraw/zinc/51/10/41/571511041.db2.gz VZJYJZHUIYBXJP-ACCGTFPRSA-N -2 0 646.663 6.704 40 10 KKCBRL Nc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)C=C(S(=O)(=O)[O-])C(=NNc3ccc(N=Nc5ccc(S(=O)(=O)[O-])cc5)cc3)C4=O)c2)cc1 ZINC000150477027 571511213 /nfs/dbraw/zinc/51/12/13/571511213.db2.gz OLMUVGULQUUYMK-KLPVBCFCSA-N -2 0 765.786 7.956 40 10 KKCBRL Nc1ccc(N=Nc2ccc(N=Nc3ccc(NN=C4C=C(S(=O)(=O)[O-])c5ccccc5C4=O)c4ccc(S(=O)(=O)[O-])cc34)c3ccc(S(=O)(=O)[O-])cc23)cc1 ZINC000150477015 571511290 /nfs/dbraw/zinc/51/12/90/571511290.db2.gz UVICFDGLFOZKOQ-NCFJAOABSA-N -3 0 811.836 9.420 40 10 KKCBRL Nc1cc(N)c(N=Nc2ccc(-c3ccc(N=Nc4c(N)c5c(cc4S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C(=NNc4ccccc4)C5=O)cc3)cc2)cc1Cl ZINC000150482837 571513422 /nfs/dbraw/zinc/51/34/22/571513422.db2.gz HMZPHXXSHKBETL-XYCPQYAXSA-N -2 0 772.225 9.352 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(NN=C5C=CC(=O)C(C(=O)[O-])=C5)cc4)cc3)cc2)C=CC1=O ZINC000150485151 571515777 /nfs/dbraw/zinc/51/57/77/571515777.db2.gz FBSGSMMZWWYKMW-NGHPONOGSA-N -2 0 644.600 7.830 40 10 KKCBRL Cc1cc(N)ccc1N=Nc1ccc(-c2ccc(NN=C3C(=O)c4c(N)c(N=Nc5ccc([N+](=O)[O-])cc5)c(S(=O)(=O)[O-])cc4C=C3S(=O)(=O)[O-])cc2)cc1 ZINC000150485498 571515894 /nfs/dbraw/zinc/51/58/94/571515894.db2.gz PGHYOTNKBLUUTR-CZHOLRGWSA-N -2 0 781.789 9.333 40 10 KKCBRL Cc1cc(/N=N/c2cc(C)c(NC(=O)c3ccc(NC(=O)c4ccc(N)cc4)cc3)cc2C)ccc1/N=N/c1ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2c1 ZINC000150485612 571516117 /nfs/dbraw/zinc/51/61/17/571516117.db2.gz XKRCRPCTAHBBQE-ZDCXGXRMSA-N -2 0 791.868 9.176 40 10 KKCBRL Nc1ccc2c(c1)C(=O)C(=NN=C1C=CC(=NNc3ccc(N)c4cc(S(=O)(=O)[O-])ccc34)c3ccccc31)C(S(=O)(=O)[O-])=C2 ZINC000150488208 571516907 /nfs/dbraw/zinc/51/69/07/571516907.db2.gz GKDDGAAABHSGRK-VKSNKJACSA-N -2 0 642.675 7.340 40 10 KKCBRL Nc1ccc2c(c1)C(=O)C(=NN=C1C=CC(=NNc3ccc(N)c4cc(S(=O)(=O)[O-])ccc34)c3ccccc31)C(S(=O)(=O)[O-])=C2 ZINC000150488213 571516915 /nfs/dbraw/zinc/51/69/15/571516915.db2.gz GKDDGAAABHSGRK-HLMXYHKXSA-N -2 0 642.675 7.340 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(N=Nc4c(N)c5c(cc4S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C(=NNc4ccccc4)C5=O)cc3)cc2)c(N)cc1N ZINC000150488790 571516917 /nfs/dbraw/zinc/51/69/17/571516917.db2.gz BKBDZNUWZUWXOC-XYCPQYAXSA-N -2 0 751.807 9.007 40 10 KKCBRL Cc1cc(S(=O)(=O)[O-])c(N)c(/N=N\c2ccc(-c3ccc(/N=N\c4c(N)c(C)cc(S(=O)(=O)[O-])c4N)c(C)c3)cc2C)c1N ZINC000150593063 571522194 /nfs/dbraw/zinc/52/21/94/571522194.db2.gz FPRRTQFUCIKTDQ-SGRXOXICSA-N -2 0 638.732 6.240 40 10 KKCBRL O=C1c2ccc(Nc3ccccc3)cc2C=C(S(=O)(=O)[O-])C1=NNc1ccc(-c2ccc(NN=C3C(=O)c4ccc(S(=O)(=O)[O-])cc4C=C3S(=O)(=O)[O-])cc2)cc1 ZINC000150629642 571523820 /nfs/dbraw/zinc/52/38/20/571523820.db2.gz XKXJRPAWMFZKDW-CNODSYGASA-N -3 0 825.859 9.386 40 10 KKCBRL CCOc1cc(N=Nc2ccc(N)c(OC)c2)c2cc(S(=O)(=O)[O-])ccc2c1NN=C1C(=O)C=Cc2cc(S(=O)(=O)[O-])ccc21 ZINC000150629541 571523849 /nfs/dbraw/zinc/52/38/49/571523849.db2.gz OFEWTTHURUAVAY-QUVVFHLXSA-N -2 0 651.679 7.012 40 10 KKCBRL CC1=NN(c2ccc(-c3nc4ccc(C)c(S(=O)(=O)[O-])c4s3)cc2)[C@H](O)[C@@H]1/N=N/c1ccc(NC(=O)c2cccc(N)c2)cc1S(=O)(=O)[O-] ZINC000150637985 571524429 /nfs/dbraw/zinc/52/44/29/571524429.db2.gz HHWVPWRGKWZSML-CPNCGOGQSA-N -2 0 721.799 5.266 40 10 KKCBRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)o2)c1 ZINC000214889996 571581729 /nfs/dbraw/zinc/58/17/29/571581729.db2.gz OADNNWYTZQBGNV-DJKKODMXSA-N -2 0 518.330 5.886 40 10 KKCBRL Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc1)C(S(=O)(=O)[O-])=C2 ZINC000263605111 572129497 /nfs/dbraw/zinc/12/94/97/572129497.db2.gz PHLSTKMDJVXERN-UHFFFAOYSA-N -3 0 812.755 8.846 40 10 KKCBRL Cc1cc(N)ccc1N=Nc1ccc(Sc2ccc(NN=C3C(=O)c4c(N)c(N=Nc5ccc([N+](=O)[O-])cc5)c(S(=O)(=O)[O-])cc4C=C3S(=O)(=O)[O-])cc2)cc1 ZINC000263608299 572130287 /nfs/dbraw/zinc/13/02/87/572130287.db2.gz TUTIHQFEQCVEON-UHFFFAOYSA-N -2 0 813.856 9.817 40 10 KKCBRL Nc1ccc(N=Nc2ccc(-c3ccc(NN=C4C(=O)c5c(N)c(N=Nc6ccc([N+](=O)[O-])cc6)c(S(=O)(=O)[O-])cc5C=C4S(=O)(=O)[O-])cc3)cc2)c(N)c1 ZINC000263611338 572130542 /nfs/dbraw/zinc/13/05/42/572130542.db2.gz XAQQWHIPKKRSSC-UHFFFAOYSA-N -2 0 782.777 8.607 40 10 KKCBRL COc1cc([N-]S(=O)(=O)c2ccc(N=Cc3c(C)[n-]n(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c3=O)cc2)nc(OC)n1 ZINC000408532453 572179552 /nfs/dbraw/zinc/17/95/52/572179552.db2.gz MUCAVQWECZZNEV-USHMODERSA-N -2 0 628.755 5.481 40 10 KKCBRL O=C([O-])c1ccc(Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4Cl)C3=O)c3ccccc32)o1 ZINC000408541076 572207515 /nfs/dbraw/zinc/20/75/15/572207515.db2.gz DOSIRFCMARDJRC-MHWRWJLKSA-N -2 0 540.384 5.119 40 10 KKCBRL O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4Cl)C3=O)cc2I)cc1 ZINC000408776586 1069882679 /nfs/dbraw/zinc/88/26/79/1069882679.db2.gz WKFHDUWBMSMESZ-MHWRWJLKSA-N -2 0 653.281 5.707 40 10 KKCBRL O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 ZINC000408952478 1070314602 /nfs/dbraw/zinc/31/46/02/1070314602.db2.gz NYNOTCTXAKZEGR-WKULSOCRSA-N -2 0 655.545 6.861 40 10 KKCBRL Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)C1=O ZINC000409065168 1070481839 /nfs/dbraw/zinc/48/18/39/1070481839.db2.gz IACFGQKXOUAORB-RQZCQDPDSA-N -2 0 559.789 5.899 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409385290 1070902550 /nfs/dbraw/zinc/90/25/50/1070902550.db2.gz JAOYYGIGSQDZEC-DEDYPNTBSA-N -2 0 533.675 5.181 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000408902619 1070910414 /nfs/dbraw/zinc/91/04/14/1070910414.db2.gz LCOVPZWGRQVXPB-RGVLZGJSSA-N -2 0 644.272 5.554 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000408902513 1070911820 /nfs/dbraw/zinc/91/18/20/1070911820.db2.gz ITEXENKQIJWZRG-RGVLZGJSSA-N -2 0 691.272 5.396 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000408898956 1070951243 /nfs/dbraw/zinc/95/12/43/1070951243.db2.gz NKOBRMBIQZSGAP-CIAFOILYSA-N -2 0 579.403 5.100 40 10 KKCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(Cl)c3)C2=O)cc1 ZINC000408937274 1071257904 /nfs/dbraw/zinc/25/79/04/1071257904.db2.gz IQLBPUTZHXSPMY-GIJQJNRQSA-N -2 0 545.762 5.590 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408943968 1071261232 /nfs/dbraw/zinc/26/12/32/1071261232.db2.gz SWSPDJCSIFTSNI-YDZHTSKRSA-N -2 0 556.958 5.445 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408942973 1071297158 /nfs/dbraw/zinc/29/71/58/1071297158.db2.gz RKGOJFUFIXLMGH-RGVLZGJSSA-N -2 0 555.370 5.336 40 10 KKCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(Br)c3)C2=O)cc1 ZINC000408939265 1071324819 /nfs/dbraw/zinc/32/48/19/1071324819.db2.gz MDOGONHTZMSLGO-YBFXNURJSA-N -2 0 555.768 5.046 40 10 KKCBRL O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2)cc1 ZINC000408957029 1071372766 /nfs/dbraw/zinc/37/27/66/1071372766.db2.gz ZTQOUFLIXJBRDW-OKCVXOCRSA-N -2 0 576.649 6.098 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000408955489 1071384410 /nfs/dbraw/zinc/38/44/10/1071384410.db2.gz UOIWLTCGVUXYIU-IPPBACCNSA-N -2 0 655.147 7.150 40 10 KKCBRL Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1cccc(OC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000408991165 1071582633 /nfs/dbraw/zinc/58/26/33/1071582633.db2.gz ZIXVFWPDWVERMX-UHFFFAOYSA-N -2 0 612.730 7.783 40 10 KKCBRL Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)ccc1Br ZINC000408754370 1071651603 /nfs/dbraw/zinc/65/16/03/1071651603.db2.gz QMRLULLSWDWCSM-GIJQJNRQSA-N -2 0 648.691 6.117 40 10 KKCBRL Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)c1 ZINC000408999043 1071655818 /nfs/dbraw/zinc/65/58/18/1071655818.db2.gz RETTYWDGAINFKX-VXLYETTFSA-N -2 0 708.246 5.148 40 10 KKCBRL Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1Cl ZINC000408758826 1071704102 /nfs/dbraw/zinc/70/41/02/1071704102.db2.gz SAWJPXRKQKBESP-VCHYOVAHSA-N -2 0 556.800 5.183 40 10 KKCBRL Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)ccc1Br ZINC000408763284 1071732776 /nfs/dbraw/zinc/73/27/76/1071732776.db2.gz MMLMTNFBXAXAAO-YBFXNURJSA-N -2 0 661.246 5.306 40 10 KKCBRL COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[n-]n(-c3ccccc3)c2=O)ccc1OC(=O)c1ccco1 ZINC000409057331 1071993510 /nfs/dbraw/zinc/99/35/10/1071993510.db2.gz KNFPCSIFIHVGET-UHFFFAOYSA-N -2 0 576.609 6.087 40 10 KKCBRL COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000409066681 1072001367 /nfs/dbraw/zinc/00/13/67/1072001367.db2.gz PFVJGMJNKHWROS-RGVLZGJSSA-N -2 0 630.245 5.164 40 10 KKCBRL Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C1=O ZINC000409075935 1072056884 /nfs/dbraw/zinc/05/68/84/1072056884.db2.gz VVYMDHNXLQWWCA-VXLYETTFSA-N -2 0 569.795 5.355 40 10 KKCBRL Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000409070802 1072093133 /nfs/dbraw/zinc/09/31/33/1072093133.db2.gz OYJNPOVZNDSSHU-RGVLZGJSSA-N -2 0 525.344 5.245 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409070128 1072098896 /nfs/dbraw/zinc/09/88/96/1072098896.db2.gz DOHQAUAWOFRTMD-LICLKQGHSA-N -2 0 585.794 5.055 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Br)cc1 ZINC000409068409 1072110780 /nfs/dbraw/zinc/11/07/80/1072110780.db2.gz GDXJITBBQHJKLF-QGMBQPNBSA-N -2 0 634.664 5.809 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409386290 1072687574 /nfs/dbraw/zinc/68/75/74/1072687574.db2.gz PFVCVJLXRANZGX-XDHOZWIPSA-N -2 0 568.449 5.162 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409384616 1072698390 /nfs/dbraw/zinc/69/83/90/1072698390.db2.gz DUDJPQYEFBJWKK-DEDYPNTBSA-N -2 0 533.675 5.181 40 10 KKCBRL CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)o3)C2=O)ccc1Cl ZINC000409169513 1072749770 /nfs/dbraw/zinc/74/97/70/1072749770.db2.gz RIFWQRXDBZISLT-YDZHTSKRSA-N -2 0 627.027 5.628 40 10 KKCBRL COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409183376 1072784027 /nfs/dbraw/zinc/78/40/27/1072784027.db2.gz BIQRZYBZMKLNSW-WOJGMQOQSA-N -2 0 557.411 5.111 40 10 KKCBRL CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1OCC ZINC000409191790 1072859202 /nfs/dbraw/zinc/85/92/02/1072859202.db2.gz NJJWAWATBMMERD-LFVJCYFKSA-N -2 0 593.032 5.467 40 10 KKCBRL Nc1ccc2c(c1)C(=O)C(=NNc1ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc1)C=C2S(=O)(=O)[O-] ZINC000004235246 552451230 /nfs/dbraw/zinc/45/12/30/552451230.db2.gz IYDMTTVTKOJURO-JQRDNDPDSA-N -2 0 527.540 5.452 40 10 KKCBRL Nc1ccc(N=Nc2ccc3c(c2)C(=O)C(=NNc2ccc(N=Nc4ccc(N)c5ccc(S(=O)(=O)[O-])cc45)cc2)C(S(=O)(=O)[O-])=C3)c(N)c1 ZINC000004235530 552451547 /nfs/dbraw/zinc/45/15/47/552451547.db2.gz DUJJZEAYTPKGDW-UPMJBUMYSA-N -2 0 711.742 8.185 40 10 KKCBRL Cc1ccc2sc(-c3ccc(/N=N/c4ccc(-c5nc6cc(C)ccc6s5)cc4S(=O)(=O)[O-])c(S(=O)(=O)[O-])c3)nc2c1 ZINC000004268049 552455104 /nfs/dbraw/zinc/45/51/04/552455104.db2.gz JSJPGIQBJCVFDV-QNEJGDQOSA-N -2 0 636.758 7.766 40 10 KKCBRL O=C([O-])c1ccc2c(c1Nc1ccc(-c3ccc(Nc4c(C(=O)[O-])ccc5c4C(=O)c4ccccc4C5=O)cc3)cc1)C(=O)c1ccccc1C2=O ZINC000004365833 552458210 /nfs/dbraw/zinc/45/82/10/552458210.db2.gz BVHFRSUUCHRAOO-UHFFFAOYSA-N -2 0 684.660 7.788 40 10 KKCBRL Cc1ccc(Nc2cccc3c2C(=O)c2cccc(Nc4ccc(C)c(S(=O)(=O)[O-])c4)c2C3=O)cc1S(=O)(=O)[O-] ZINC000004365844 552458225 /nfs/dbraw/zinc/45/82/25/552458225.db2.gz YOSHGCNBPIMEGC-UHFFFAOYSA-N -2 0 578.624 5.059 40 10 KKCBRL Nc1c(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc(S(=O)(=O)[O-])c2c1C(=O)C(=NNc1ccc([N+](=O)[O-])cc1)C=C2 ZINC000004705996 552471976 /nfs/dbraw/zinc/47/19/76/552471976.db2.gz DXTNAPUMANMBMM-OWUYFMIJSA-N -2 0 572.537 5.360 40 10 KKCBRL COc1cc(N=Nc2ccc(S(=O)(=O)[O-])cc2)ccc1N=Nc1c(O)c2ccccc2cc1S(=O)(=O)[O-] ZINC000004758270 552476228 /nfs/dbraw/zinc/47/62/28/552476228.db2.gz AVECTOQUNREBSH-JQRDNDPDSA-N -2 0 542.551 5.878 40 10 KKCBRL Cc1ccccc1N=Nc1ccc(NN=C2C(=O)C=Cc3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c32)c(C)c1 ZINC000004804177 552487288 /nfs/dbraw/zinc/48/72/88/552487288.db2.gz MGOSORQIYUOFSQ-PAMTUDGESA-N -2 0 540.579 6.486 40 10 KKCBRL O=C([O-])c1cccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(-c4ccc(S(=O)(=O)[N-]c5nccs5)cc4)o3)C2=O)c1 ZINC000005942007 552514394 /nfs/dbraw/zinc/51/43/94/552514394.db2.gz FDIMKXHDDJJSQO-UYRXBGFRSA-N -2 0 588.545 5.251 40 10 KKCBRL CCOc1ccc(N=Nc2ccc(-c3ccc(NN=C4C(=O)C=Cc5cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c54)cc3)cc2)cc1 ZINC000082181732 553674831 /nfs/dbraw/zinc/67/48/31/553674831.db2.gz WFDQLHCSKAIOER-HSBKYFPUSA-N -2 0 632.676 7.935 40 10 KKCBRL Nc1ccc(N=Nc2ccc(S(=O)(=O)[O-])c3ccccc23)c(N)c1N=Nc1ccc(-c2ccc(NN=C3C=CC(=O)C(C(=O)[O-])=C3)cc2)cc1 ZINC000095101016 553699905 /nfs/dbraw/zinc/69/99/05/553699905.db2.gz FGGPHAXTCNLFEM-CVVKNPDDSA-N -2 0 686.710 9.568 40 10 KKCBRL O=S(=O)([O-])c1cc2c(ccc(S(=O)(=O)[O-])c2/N=N/c2ccccc2/C=C/c2nc3ccccc3[nH]2)c(S(=O)(=O)[O-])c1 ZINC000051012304 554328613 /nfs/dbraw/zinc/32/86/13/554328613.db2.gz VDRQIBOYTROSEX-GRUKLGFSSA-N -3 0 614.639 5.042 40 10 KKCBRL O=C1C=CC(=NNc2ccc(S(=O)(=O)[O-])cc2)C(N=NC2=CC(=O)C=CC2=NNc2ccc(S(=O)(=O)[O-])cc2)=C1 ZINC000068563843 554539092 /nfs/dbraw/zinc/53/90/92/554539092.db2.gz UFDBSDOISIRFAX-COROVXQKSA-N -2 0 582.576 6.837 40 10 KKCBRL O=C1C=CC(=NNc2ccc(C=Cc3ccc(NN=C4C=CC(=O)C=C4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)C=C1 ZINC000101108011 554640551 /nfs/dbraw/zinc/64/05/51/554640551.db2.gz HNJRBCJUHORNHV-XMKAFMIMSA-N -2 0 580.600 6.592 40 10 KKCBRL O=C1C=CC(=NNc2ccc(C=Cc3ccc(NN=C4C=CC(=O)C(O)=C4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)C=C1O ZINC000101510075 554792293 /nfs/dbraw/zinc/79/22/93/554792293.db2.gz VRBLWSNMXXFIDO-XMKAFMIMSA-N -2 0 612.598 6.004 40 10 KKCBRL O=C([O-])c1ccc(COc2ccccc2/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000103846263 571363479 /nfs/dbraw/zinc/36/34/79/571363479.db2.gz UHLASLSZKCEQAM-WOJGMQOQSA-N -2 0 527.385 5.102 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000103852799 571365637 /nfs/dbraw/zinc/36/56/37/571365637.db2.gz VANOPZGJNOCWLL-WOJGMQOQSA-N -2 0 599.434 5.095 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2cccc(C(=O)[O-])c2)c1N ZINC000104050141 571371800 /nfs/dbraw/zinc/37/18/00/571371800.db2.gz YYZYZOATRZLVNL-LJEMIJFJSA-N -2 0 614.622 9.175 40 10 KKCBRL Cc1ccc(N=Nc2cc(C)c(N)c(N=Nc3ccc(NN=C4C=C(C(=O)[O-])C(=O)C(S(=O)(=O)[O-])=C4)c(C)c3)c2N)cc1 ZINC000104050486 571371843 /nfs/dbraw/zinc/37/18/43/571371843.db2.gz VBBHCYVWGOKODU-JAIKLODRSA-N -2 0 602.633 7.673 40 10 KKCBRL Nc1ccc(S(=O)(=O)[O-])c2c1C(=O)C(=NNc1ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)c3ccccc13)C=C2 ZINC000104323888 571379118 /nfs/dbraw/zinc/37/91/18/571379118.db2.gz LTUMHABOUUZCLG-BFWJDIMNSA-N -2 0 577.600 6.605 40 10 KKCBRL O=C1c2ccccc2C(S(=O)(=O)[O-])=CC1=NNc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000104366981 571379508 /nfs/dbraw/zinc/37/95/08/571379508.db2.gz HRJPKTJYWMCGSF-RUFRKCMOSA-N -2 0 512.525 5.870 40 10 KKCBRL O=C1C=Cc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2C1=NNc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000104388970 571379845 /nfs/dbraw/zinc/37/98/45/571379845.db2.gz MKOJHJCFYCSSJX-RUFRKCMOSA-N -3 0 592.589 5.116 40 10 KKCBRL O=C1C=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000104381531 571379862 /nfs/dbraw/zinc/37/98/62/571379862.db2.gz RIDBENMURUEPGK-HXEHWPEMSA-N -2 0 512.525 5.870 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(C(=O)[O-])cc2)c1N ZINC000104389154 571379947 /nfs/dbraw/zinc/37/99/47/571379947.db2.gz JFQFXEDASJBRFE-PJDLVWAJSA-N -2 0 614.622 9.175 40 10 KKCBRL Cc1c(NN=c2c(=O)c3c(=O)c(=NNc4c(C)n(C)n(-c5ccccc5)c4=O)c(S(=O)(=O)[O-])cc=3cc2S(=O)(=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000150343698 571459093 /nfs/dbraw/zinc/45/90/93/571459093.db2.gz SZVOKPKIXYMQHL-LBYUQGKWSA-N -2 0 748.756 5.171 40 10 KKCBRL CCOC(=O)c1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(-c2ccc(N=Nc3c(=O)n(-c4ccccc4)[n-]c3C(=O)OCC)c(Cl)c2)cc1Cl ZINC000150344759 571459450 /nfs/dbraw/zinc/45/94/50/571459450.db2.gz PLYDMIIYRWUYBP-KPMZKPACSA-N -2 0 739.576 7.497 40 10 KKCBRL Cc1cc(-c2ccc(NN=C3C(=O)c4c(cccc4S(=O)(=O)[O-])C=C3S(=O)(=O)[O-])c(C)c2)ccc1NN=C1C=Cc2c(S(=O)(=O)[O-])ccc(N)c2C1=O ZINC000150366667 571464851 /nfs/dbraw/zinc/46/48/51/571464851.db2.gz YVWGWDRWIHADMC-NFSGFYSESA-N -3 0 777.815 7.841 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2cc(C(=O)[O-])ccc2Cl)c1N ZINC000150366709 571464891 /nfs/dbraw/zinc/46/48/91/571464891.db2.gz QSDHGAQCFZXFPR-HBUPIULHSA-N -2 0 649.067 9.828 40 10 KKCBRL O=S(=O)([O-])c1cc([O-])c2c(c1)cc(S(=O)(=O)[O-])cc2N=Nc1ccc(N=Nc2c(O)c3ccc(Nc4ccccc4)cc3cc2S(=O)(=O)[O-])c2ccccc12 ZINC000150366732 571464897 /nfs/dbraw/zinc/46/48/97/571464897.db2.gz LINZZVAECORMOM-YGJLQQOCSA-N -4 0 799.821 8.872 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(N)cc2)ccc1N=Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc(S(=O)(=O)[O-])cc1C)c2O ZINC000150367664 571465105 /nfs/dbraw/zinc/46/51/05/571465105.db2.gz WUSSEEVJEVNPAB-XGMUGIETSA-N -2 0 674.717 7.321 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(NC(=O)c3ccc(N)cc3)cc2)ccc1N=Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc(S(=O)(=O)[O-])cc1C)c2O ZINC000150367726 571465136 /nfs/dbraw/zinc/46/51/36/571465136.db2.gz UNJBQHJKVLTHLE-AGNMRACCSA-N -2 0 793.840 8.573 40 10 KKCBRL Cc1cc(N=Nc2ccc(C(=O)Nc3ccc4cc(S(=O)(=O)[O-])ccc4c3)cc2)c(N)c(N=Nc2ccc(NN=C3C=CC(=O)C(C(=O)[O-])=C3)cc2)c1N ZINC000150367708 571465138 /nfs/dbraw/zinc/46/51/38/571465138.db2.gz CXFPVIYCRWPLIW-ILZDLKQISA-N -2 0 743.762 9.462 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(N)cc2)ccc1/N=N/c1ccc(/N=N/c2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc([O-])c32)c2ccccc12 ZINC000150368111 571465182 /nfs/dbraw/zinc/46/51/82/571465182.db2.gz KWKWHGVUTWRHDN-DEPRKFIZSA-N -2 0 710.750 8.166 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(N)cc2)ccc1/N=N\c1ccc(/N=N/c2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc([O-])c32)c2ccccc12 ZINC000150368106 571465186 /nfs/dbraw/zinc/46/51/86/571465186.db2.gz KWKWHGVUTWRHDN-PFXNJGLMSA-N -2 0 710.750 8.166 40 10 KKCBRL Cc1cc(N=Nc2ccc(Sc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(C(=O)[O-])cc2)c1N ZINC000150368083 571465212 /nfs/dbraw/zinc/46/52/12/571465212.db2.gz OMYQZIJDBGYBCY-CJLTYADSSA-N -2 0 646.689 9.659 40 10 KKCBRL Cc1cc(N=Nc2ccc(Sc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(C(=O)[O-])cc2)c1N ZINC000150368087 571465241 /nfs/dbraw/zinc/46/52/41/571465241.db2.gz OMYQZIJDBGYBCY-PJDLVWAJSA-N -2 0 646.689 9.659 40 10 KKCBRL Cc1cc(N)ccc1/N=N/c1ccc(/N=N/c2ccc(/N=N\c3ccc4cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4c3)c(C)c2)c(C)c1 ZINC000150368079 571465245 /nfs/dbraw/zinc/46/52/45/571465245.db2.gz DCRRTQJSBNJXRG-WCYXHNSUSA-N -2 0 657.734 9.087 40 10 KKCBRL Cc1[n-]n(-c2ccccc2)c(=O)c1C(=Nc1ccccc1-c1ccccc1N=C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1ccccc1)c1ccccc1 ZINC000150373583 571466199 /nfs/dbraw/zinc/46/61/99/571466199.db2.gz STSONMYZDPCBMO-SHLALKERSA-N -2 0 704.834 9.845 40 10 KKCBRL Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=Nc1ccc(-c2ccc(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)c(S(=O)(=O)[O-])c2)cc1 ZINC000150384394 571468371 /nfs/dbraw/zinc/46/83/71/571468371.db2.gz VIMSRKLHXNUATO-VBKUPFLNSA-N -3 0 788.842 7.214 40 10 KKCBRL Nc1c(N=Nc2ccc(-c3ccc(NN=C4C=C(S(=O)(=O)[O-])c5ccccc5C4=O)cc3)cc2)cc(S(=O)(=O)[O-])c2ccccc12 ZINC000150386554 571469363 /nfs/dbraw/zinc/46/93/63/571469363.db2.gz TZCACGMZCLGYSG-IRBDSUPESA-N -2 0 653.698 8.272 40 10 KKCBRL Nc1ccc(N=Nc2ccc(-c3ccc(N=Nc4c(N)c5c(cc4S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C(=NNc4ccccc4)C5=O)cc3)cc2)c(N)c1 ZINC000150386628 571469401 /nfs/dbraw/zinc/46/94/01/571469401.db2.gz ATFARZXNCCWOKJ-VZWHIKRBSA-N -2 0 737.780 8.699 40 10 KKCBRL COc1cc(-c2ccc(NN=C3C=C(S(=O)(=O)[O-])c4ccccc4C3=O)c(OC)c2)ccc1NN=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O ZINC000150386759 571469520 /nfs/dbraw/zinc/46/95/20/571469520.db2.gz HHIMHPSTBORQAB-LYERXDRPSA-N -2 0 714.734 8.413 40 10 KKCBRL O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc2c(NC=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cccc12 ZINC000150398439 571477241 /nfs/dbraw/zinc/47/72/41/571477241.db2.gz NUXIWKZDPBRJDX-MPKYGIEOSA-N -2 0 655.454 5.304 40 10 KKCBRL Cc1[n-]n(C(=O)CC(=O)Nc2ccccc2C)c(=O)c1N=Nc1ccc(S(=O)(=O)c2ccc(N=Nc3c(C)[n-]n(C(=O)CC(=O)Nc4ccccc4C)c3=O)cc2)cc1 ZINC000150448547 571501571 /nfs/dbraw/zinc/50/15/71/571501571.db2.gz NMZUPLXHJQOACQ-YUPPNRDESA-N -2 0 816.857 5.588 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(C=Cc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)C=CC1=O ZINC000150468307 571508406 /nfs/dbraw/zinc/50/84/06/571508406.db2.gz JYKFGONUYXGBJT-NPLHCAJBSA-N -4 0 668.618 5.989 40 10 KKCBRL COc1cc(N=Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc([O-])c32)c(C)cc1N=Nc1c(O)c2ccc(Nc3ccccc3)cc2cc1S(=O)(=O)[O-] ZINC000150476973 571511055 /nfs/dbraw/zinc/51/10/55/571511055.db2.gz OJWWQROAEXSSTO-WVCCOWEBSA-N -4 0 793.814 8.036 40 10 KKCBRL COC1=CC(=C2C=CC(=NNc3cc(S(=O)(=O)[O-])c4ccccc4c3O)C(OC)=C2)C=CC1=NN=C1C(=O)c2ccc(N)cc2C=C1S(=O)(=O)[O-] ZINC000150476959 571511062 /nfs/dbraw/zinc/51/10/62/571511062.db2.gz DAUWYVUKZMSMCP-WVCCOWEBSA-N -2 0 729.749 7.995 40 10 KKCBRL COc1cc(-c2ccc(NN=C3c4ccccc4C=CC3=O)c(OC)c2)ccc1NN=C1C=Cc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c2C1=O ZINC000150476944 571511093 /nfs/dbraw/zinc/51/10/93/571511093.db2.gz NPKFSFQEYLFRPM-WVCCOWEBSA-N -2 0 729.749 7.995 40 10 KKCBRL Nc1cccc(C(=O)Nc2ccc3c(c2)C=C(S(=O)(=O)[O-])C(=NNc2ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc2)C3=O)c1 ZINC000150476867 571511112 /nfs/dbraw/zinc/51/11/12/571511112.db2.gz VZJYJZHUIYBXJP-NCTHRFBRSA-N -2 0 646.663 6.704 40 10 KKCBRL CCOc1ccc(N=Nc2ccc(-c3ccc(NN=C4C(=O)C=Cc5cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c54)cc3)cc2)cc1 ZINC000150476885 571511116 /nfs/dbraw/zinc/51/11/16/571511116.db2.gz WFDQLHCSKAIOER-DRCJXRCRSA-N -2 0 632.676 7.935 40 10 KKCBRL Nc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)C=C(S(=O)(=O)[O-])C(=NNc3ccc(N=Nc5ccc(S(=O)(=O)[O-])cc5)cc3)C4=O)c2)cc1 ZINC000150477021 571511326 /nfs/dbraw/zinc/51/13/26/571511326.db2.gz OLMUVGULQUUYMK-NBERVTRZSA-N -2 0 765.786 7.956 40 10 KKCBRL Nc1cc(N)c(N=Nc2ccc(-c3ccc(N=Nc4c(N)c5c(cc4S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C(=NNc4ccccc4)C5=O)cc3)cc2)cc1Cl ZINC000150482842 571513430 /nfs/dbraw/zinc/51/34/30/571513430.db2.gz HMZPHXXSHKBETL-POJKUCOGSA-N -2 0 772.225 9.352 40 10 KKCBRL Nc1ccc2c(c1N=Nc1ccc([N+](=O)[O-])cc1)C=C(S(=O)(=O)[O-])C(=NNc1ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc1)C2=O ZINC000150485106 571515542 /nfs/dbraw/zinc/51/55/42/571515542.db2.gz FEJRNHKKXMBBIF-JKAACBSISA-N -2 0 676.649 7.775 40 10 KKCBRL COc1cc(N=Nc2ccc(S(=O)(=O)[O-])cc2)ccc1NN=C1c2ccc(S(=O)(=O)[O-])cc2C=C(S(=O)(=O)[O-])C1=O ZINC000150485083 571515637 /nfs/dbraw/zinc/51/56/37/571515637.db2.gz KKPWWSQRABXCKS-DYORGOFNSA-N -3 0 622.615 5.125 40 10 KKCBRL CCOc1ccc(Nc2ccc(N=Nc3c(N)c(C)cc(N=Nc4ccc(-c5ccc(NN=C6C=CC(=O)C(C(=O)[O-])=C6)cc5)cc4)c3N)cc2S(=O)(=O)[O-])cc1 ZINC000150485647 571516024 /nfs/dbraw/zinc/51/60/24/571516024.db2.gz WIGUODXJYVJDCK-PTJALOPKSA-N -2 0 785.843 10.865 40 10 KKCBRL CCOc1ccc(Nc2ccc(N=Nc3c(N)c(C)cc(N=Nc4ccc(-c5ccc(NN=C6C=CC(=O)C(C(=O)[O-])=C6)cc5)cc4)c3N)cc2S(=O)(=O)[O-])cc1 ZINC000150485652 571516084 /nfs/dbraw/zinc/51/60/84/571516084.db2.gz WIGUODXJYVJDCK-OWAIANTDSA-N -2 0 785.843 10.865 40 10 KKCBRL Nc1ccc2cc(S(=O)(=O)[O-])cc([O-])c2c1/N=N/c1ccc(-c2ccc(/N=N\c3cc(S(=O)(=O)[O-])c4ccccc4c3N)cc2)cc1 ZINC000150552431 571520773 /nfs/dbraw/zinc/52/07/73/571520773.db2.gz KXXRNNGEMNIAFA-LYERXDRPSA-N -3 0 668.713 7.854 40 10 KKCBRL O=C1c2ccc(Nc3ccccc3)cc2C=C(S(=O)(=O)[O-])C1=NNc1ccc(-c2ccc(NN=C3C(=O)c4ccc(S(=O)(=O)[O-])cc4C=C3S(=O)(=O)[O-])cc2)cc1 ZINC000150629645 571523955 /nfs/dbraw/zinc/52/39/55/571523955.db2.gz XKXJRPAWMFZKDW-JMAUFSLDSA-N -3 0 825.859 9.386 40 10 KKCBRL Nc1ccc2c(O)c(N=Nc3ccc(N=Nc4ccc(N=Nc5ccccc5)c5cc(S(=O)(=O)[O-])ccc45)c4cc(S(=O)(=O)[O-])ccc34)c(S(=O)(=O)[O-])cc2c1 ZINC000150629769 571524048 /nfs/dbraw/zinc/52/40/48/571524048.db2.gz LBAISCBMCNRAKF-OAARMPHUSA-N -3 0 811.836 9.420 40 10 KKCBRL O=C1C=CC(=NNc2ccc([C@@H](c3ccc(NN=C4C(=O)C=Cc5cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c54)cc3)C3CCCCC3)cc2)C=C1 ZINC000150643632 571524793 /nfs/dbraw/zinc/52/47/93/571524793.db2.gz IRYHBCRRNRAQKP-GMWHLUAVSA-N -2 0 700.795 9.287 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000164469169 571548649 /nfs/dbraw/zinc/54/86/49/571548649.db2.gz CPYIBGUDJSTCMF-RGVLZGJSSA-N -2 0 691.272 5.396 40 10 KKCBRL Cc1cc(N=Nc2ccc(NN=C3c4ccc(S(=O)(=O)[O-])cc4C=C(S(=O)(=O)[O-])C3=O)cc2C)ccc1N=Nc1ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2c1 ZINC000263599489 572128522 /nfs/dbraw/zinc/12/85/22/572128522.db2.gz IYUCGDXZYHLGQX-UHFFFAOYSA-N -4 0 854.879 8.548 40 10 KKCBRL COc1cc(N=Nc2cc(NC(C)=O)c(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc2S(=O)(=O)[O-])c(C)cc1N=Nc1cc(OC)c(NC(=O)c2ccc(N)cc2)cc1C ZINC000263602671 572129228 /nfs/dbraw/zinc/12/92/28/572129228.db2.gz MPGJLPSBUDDNPI-UHFFFAOYSA-N -2 0 829.874 8.853 40 10 KKCBRL O=[N+]([O-])c1ccc(/C=C/c2ccc(N=Nc3ccc(/C=C\c4ccc([N+](=O)[O-])cc4S(=O)(=O)[O-])c(S(=O)(=O)[O-])c3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1 ZINC000263609343 572130294 /nfs/dbraw/zinc/13/02/94/572130294.db2.gz UYTCJBFOLUYGBH-WSBXSNSVSA-N -4 0 796.748 5.246 40 10 KKCBRL Cc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)[O-])cc3c2C(=O)C(=NNc2ccc(C4CCCCC4)cc2C)C(S(=O)(=O)[O-])=C3)cc1 ZINC000299888453 572141154 /nfs/dbraw/zinc/14/11/54/572141154.db2.gz JYJOTMJHHYEPIA-UHFFFAOYSA-N -3 0 673.791 6.920 40 10 KKCBRL CCn1c(S/C(=C\c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408632450 572288881 /nfs/dbraw/zinc/28/88/81/572288881.db2.gz IYGXOSVQMVZARK-OYKKKHCWSA-N -2 0 548.621 5.306 40 10 KKCBRL Cc1ccc2nc(-c3ccc(N=Nc4ccc(-c5nc6ccc(C)c(S(=O)(=O)[O-])c6s5)cc4)cc3)sc2c1S(=O)(=O)[O-] ZINC000255995829 572304770 /nfs/dbraw/zinc/30/47/70/572304770.db2.gz PYBFBYFQKQKBCP-UHFFFAOYSA-N -2 0 636.758 7.766 40 10 KKCBRL Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C(=O)[N-]C2=S)cc1Cl ZINC000408820068 1069992883 /nfs/dbraw/zinc/99/28/83/1069992883.db2.gz SXZICELSKQZTAN-MHWRWJLKSA-N -2 0 501.347 5.091 40 10 KKCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(Br)c3)C2=O)cc1 ZINC000408940783 1070286933 /nfs/dbraw/zinc/28/69/33/1070286933.db2.gz ORCCDZGJVZNMCZ-WOJGMQOQSA-N -2 0 555.768 5.046 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409075023 1070488378 /nfs/dbraw/zinc/48/83/78/1070488378.db2.gz WVHPJPZDOKFDOX-CVKSISIWSA-N -2 0 704.473 5.822 40 10 KKCBRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(C=C3SC(=O)N(CC(=O)c4ccc(Br)cc4)C3=O)o2)c1 ZINC000409222954 1070650286 /nfs/dbraw/zinc/65/02/86/1070650286.db2.gz FOSZPTKDFRPLEO-KEBDBYFISA-N -2 0 556.346 5.025 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000408903818 1070902857 /nfs/dbraw/zinc/90/28/57/1070902857.db2.gz ZXOIVVVBQQUXLT-VXLYETTFSA-N -2 0 677.245 5.006 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000408899803 1070941653 /nfs/dbraw/zinc/94/16/53/1070941653.db2.gz QKXQBKPUQRLVHX-WSDLNYQXSA-N -2 0 593.430 5.408 40 10 KKCBRL O=C(Nc1cc(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1cc(Nc3nc(Cl)nc(Nc4ccc(S(=O)(=O)[O-])cc4)n3)ccc1S(=O)(=O)[O-])C(S(=O)(=O)[O-])=C2)c1ccccc1 ZINC000263614010 1071123513 /nfs/dbraw/zinc/12/35/13/1071123513.db2.gz ZWONWYNZSWOYQC-UHFFFAOYSA-N -4 0 907.299 5.526 40 10 KKCBRL Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)c1 ZINC000408934563 1071233147 /nfs/dbraw/zinc/23/31/47/1071233147.db2.gz BIEMVSCOBYBCID-WGOQTCKBSA-N -2 0 520.541 5.400 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408933261 1071243193 /nfs/dbraw/zinc/24/31/93/1071243193.db2.gz ACTXXNPWKBPOIS-CAOOACKPSA-N -2 0 532.767 5.419 40 10 KKCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000408941832 1071304182 /nfs/dbraw/zinc/30/41/82/1071304182.db2.gz PWMKYZCKKQGJKG-VXLYETTFSA-N -2 0 590.213 5.700 40 10 KKCBRL O=S(=O)([O-])c1ccc(N=NN2CN(N=Nc3ccc(S(=O)(=O)[O-])cc3)[C@H]3CCCCC[C@H]2N3N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000263610231 1071324657 /nfs/dbraw/zinc/32/46/57/1071324657.db2.gz VYTYTYQYIYIRJR-CLJLJLNGSA-N -3 0 707.773 5.317 40 10 KKCBRL O=C1c2ncccc2C(S(=O)(=O)[O-])=CC1=NNc1ccc(C=Cc2ccc(NN=C3C=C(S(=O)(=O)[O-])c4cccnc4C3=O)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1 ZINC000263609776 1071324698 /nfs/dbraw/zinc/32/46/98/1071324698.db2.gz VLBUREFUMKMJDK-AHMXHEBTSA-N -4 0 842.824 6.182 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408939418 1071324241 /nfs/dbraw/zinc/32/42/41/1071324241.db2.gz MKUFSQJQGLLECZ-CIAFOILYSA-N -2 0 579.403 5.100 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408938531 1071330619 /nfs/dbraw/zinc/33/06/19/1071330619.db2.gz KUYCFSKLZKBBRP-RGVLZGJSSA-N -2 0 599.821 5.445 40 10 KKCBRL O=C([O-])COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Br ZINC000408956768 1071375790 /nfs/dbraw/zinc/37/57/90/1071375790.db2.gz YJCNOOXQWATFCV-LSHDLFTRSA-N -2 0 579.447 5.047 40 10 KKCBRL O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(I)c([O-])c(I)c1 ZINC000408954761 1071389492 /nfs/dbraw/zinc/38/94/92/1071389492.db2.gz SLMDZADWZFRXTC-DNTJNYDQSA-N -2 0 694.307 5.736 40 10 KKCBRL Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1ccccc1OC(=O)c1cccc(Br)c1 ZINC000408986820 1071486054 /nfs/dbraw/zinc/48/60/54/1071486054.db2.gz NGIUONVLFFXTOS-UHFFFAOYSA-N -2 0 635.518 7.248 40 10 KKCBRL CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000408985679 1071497645 /nfs/dbraw/zinc/49/76/45/1071497645.db2.gz XOMPPBBOURXNCK-JMIUGGIZSA-N -2 0 613.848 5.753 40 10 KKCBRL Cc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)[N-]C2=S)cc1C ZINC000408987720 1071610766 /nfs/dbraw/zinc/61/07/66/1071610766.db2.gz BSGRVYBHWKQVLS-KEBDBYFISA-N -2 0 738.341 5.621 40 10 KKCBRL Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)cc1 ZINC000408999466 1071655317 /nfs/dbraw/zinc/65/53/17/1071655317.db2.gz LGOPQWFMJPGFRD-VXLYETTFSA-N -2 0 708.246 5.148 40 10 KKCBRL COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[n-]n(-c3ccccc3)c2=O)ccc1OCc1cccc(C)c1 ZINC000409026103 1071707163 /nfs/dbraw/zinc/70/71/63/1071707163.db2.gz GHBLTLGLESFXSB-UHFFFAOYSA-N -2 0 586.692 7.162 40 10 KKCBRL Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)ccc1Br ZINC000408766966 1071716769 /nfs/dbraw/zinc/71/67/69/1071716769.db2.gz UIWJEOSGCAPNBM-GIJQJNRQSA-N -2 0 740.142 6.068 40 10 KKCBRL Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C1=O ZINC000408774507 1071760061 /nfs/dbraw/zinc/76/00/61/1071760061.db2.gz WAVOQODRKINBGT-MHWRWJLKSA-N -2 0 529.730 5.036 40 10 KKCBRL O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)o2)cc1Cl ZINC000408782373 1071812725 /nfs/dbraw/zinc/81/27/25/1071812725.db2.gz GKDAMXHTOXVVJP-DHRITJCHSA-N -2 0 571.029 6.432 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Cl)cc1 ZINC000408779491 1071828848 /nfs/dbraw/zinc/82/88/48/1071828848.db2.gz FMTITVIFQXQEIO-GIJQJNRQSA-N -2 0 545.762 5.590 40 10 KKCBRL Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)[N-]C2=S)c(C)c1 ZINC000408789089 1071896993 /nfs/dbraw/zinc/89/69/93/1071896993.db2.gz JCTGMOLJDWXNMN-UDWIEESQSA-N -2 0 612.445 5.017 40 10 KKCBRL Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C1=O ZINC000409064348 1072015578 /nfs/dbraw/zinc/01/55/78/1072015578.db2.gz GTKGNJTXXCGZBU-WOJGMQOQSA-N -2 0 569.795 5.355 40 10 KKCBRL O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000409063679 1072020301 /nfs/dbraw/zinc/02/03/01/1072020301.db2.gz DMFGSWWQUMJORJ-WPWMEQJKSA-N -2 0 627.447 5.972 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409073313 1072077023 /nfs/dbraw/zinc/07/70/23/1072077023.db2.gz GVUUYWLBLJKUFG-VCHYOVAHSA-N -2 0 646.821 5.205 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409070251 1072097121 /nfs/dbraw/zinc/09/71/21/1072097121.db2.gz LDZCOEHFOCIRDR-JVWAILMASA-N -2 0 671.500 6.370 40 10 KKCBRL Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1Cl ZINC000409333368 1072355396 /nfs/dbraw/zinc/35/53/96/1072355396.db2.gz GQFIVQRHHHHGLX-NVMNQCDNSA-N -2 0 512.349 5.074 40 10 KKCBRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=S)N(c4ccc(Br)c(Cl)c4)C3=O)o2)c1 ZINC000409329842 1072383007 /nfs/dbraw/zinc/38/30/07/1072383007.db2.gz HJRLAHXXPOBTJX-GIJQJNRQSA-N -2 0 564.822 6.165 40 10 KKCBRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4Cl)C3=O)o2)c1 ZINC000409343399 1072441765 /nfs/dbraw/zinc/44/17/65/1072441765.db2.gz HFSUJWFFCYGFFS-NVMNQCDNSA-N -2 0 520.371 6.056 40 10 KKCBRL CCCCCOc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[n-]n(-c3ccccc3)c2=O)cc1OC ZINC000409337767 1072491070 /nfs/dbraw/zinc/49/10/70/1072491070.db2.gz VEWUDELFMWAHAA-UHFFFAOYSA-N -2 0 552.675 6.844 40 10 KKCBRL CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000409147137 1072577228 /nfs/dbraw/zinc/57/72/28/1072577228.db2.gz UYVDPIHZQLIWLF-LPYMAVHISA-N -2 0 702.352 5.948 40 10 KKCBRL CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409378158 1072677802 /nfs/dbraw/zinc/67/78/02/1072677802.db2.gz MVJWHXQTHFOEIS-CIAFOILYSA-N -2 0 551.020 5.020 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387130 1072682121 /nfs/dbraw/zinc/68/21/21/1072682121.db2.gz UBBBKRDDUWYMSJ-XDHOZWIPSA-N -2 0 523.998 5.052 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409384533 1072697907 /nfs/dbraw/zinc/69/79/07/1072697907.db2.gz DFDDSOPCOSSFIN-XDHOZWIPSA-N -2 0 598.544 5.635 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409381083 1072715100 /nfs/dbraw/zinc/71/51/00/1072715100.db2.gz DVYYQFWAAYGTFM-LPYMAVHISA-N -2 0 609.498 5.519 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409194623 1072842588 /nfs/dbraw/zinc/84/25/88/1072842588.db2.gz QHKSYJLYBANXKC-JVWAILMASA-N -2 0 569.614 5.342 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409192508 1072854466 /nfs/dbraw/zinc/85/44/66/1072854466.db2.gz DLLSOVYSVILGTC-WPWMEQJKSA-N -2 0 551.624 5.203 40 10 KKCBRL CCOc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[n-]n(-c3ccccc3)c2=O)ccc1OC(=O)c1ccc(F)cc1 ZINC000409206082 1072893996 /nfs/dbraw/zinc/89/39/96/1072893996.db2.gz VATAVOROIDBUQC-UHFFFAOYSA-N -2 0 618.665 7.023 40 10 KKCBRL O=C(Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc3c(O)cc(S(=O)(=O)[O-])cc3c1)c2O)c1ccccc1 ZINC000004804181 552487267 /nfs/dbraw/zinc/48/72/67/552487267.db2.gz PMEOFEZYPUQMMU-QVIHXGFCSA-N -2 0 593.595 5.565 40 10 KKCBRL Cc1cc(NN=C2C=CC(=O)C=C2C)ccc1N=Nc1ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2c1 ZINC000004896374 552488793 /nfs/dbraw/zinc/48/87/93/552488793.db2.gz GZGHOPOPGVNNFQ-JOSXGXAISA-N -2 0 540.579 6.486 40 10 KKCBRL O=C([O-])c1cc(OC(=O)Oc2ccc(/N=N/c3ccccc3)c(C(=O)[O-])c2)ccc1/N=N/c1ccccc1 ZINC000004991036 552491399 /nfs/dbraw/zinc/49/13/99/552491399.db2.gz NTVYSWOBWJLZBN-FUEWEDNTSA-N -2 0 510.462 7.492 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(N)cc2)ccc1/N=N/c1ccc(/N=N\c2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])c(C)c1 ZINC000008622292 553103383 /nfs/dbraw/zinc/10/33/83/553103383.db2.gz DHXXCADSLBHHQX-AWIWTGTASA-N -2 0 608.658 6.462 40 10 KKCBRL O=C1C=Cc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2C1=NNc1ccc(N=Nc2ccccc2)cc1 ZINC000012358762 553359256 /nfs/dbraw/zinc/35/92/56/553359256.db2.gz PIEQFSVTZMAUJA-BYMSKALGSA-N -2 0 512.525 5.870 40 10 KKCBRL O=S(=O)([O-])c1ccc(/N=N/c2ccc(/N=N/c3ccc(/N=N/c4ccc(S(=O)(=O)[O-])cc4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)cc1 ZINC000095100221 553698044 /nfs/dbraw/zinc/69/80/44/553698044.db2.gz FOQOQNPQDIETSN-BHYDKEGGSA-N -4 0 710.706 5.920 40 10 KKCBRL O=C(Nc1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1)Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc3cc(S(=O)(=O)[O-])ccc3c1)c2O ZINC000095538300 553703070 /nfs/dbraw/zinc/70/30/70/553703070.db2.gz HIVSSNOQZTVJKW-XAHDOWKMSA-N -3 0 738.734 6.357 40 10 KKCBRL O=S(=O)([O-])c1cccc(/N=N/c2ccc(/N=N\c3ccc(Nc4ccccc4)c4c3cccc4S(=O)(=O)[O-])c3ccccc23)c1 ZINC000095731685 553711312 /nfs/dbraw/zinc/71/13/12/553711312.db2.gz DJRZPZBRKRAGBD-KSHGJJROSA-N -2 0 637.699 9.061 40 10 KKCBRL CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000096585250 553756410 /nfs/dbraw/zinc/75/64/10/553756410.db2.gz QYXRMYQQCLHFAX-HMAPJEAMSA-N -2 0 500.507 5.042 40 10 KKCBRL Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c(C(C)C)c(S(=O)(=O)c2ccc(Cl)cc2)c1[O-] ZINC000026786852 553821310 /nfs/dbraw/zinc/82/13/10/553821310.db2.gz HISGFSLQJMIRPZ-UHFFFAOYSA-N -2 0 514.452 5.764 40 10 KKCBRL O=C([O-])c1ccc(COc2ccc3ccccc3c2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000100232412 554257243 /nfs/dbraw/zinc/25/72/43/554257243.db2.gz YDQXZZJIMLLJHP-IWIPYMOSSA-N -2 0 526.932 5.437 40 10 KKCBRL O=C1C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccc(C=Cc2nc3ccccc3[nH]2)cc1 ZINC000051012317 554328610 /nfs/dbraw/zinc/32/86/10/554328610.db2.gz BNPGXKUMUMCMHO-DELRBKDBSA-N -2 0 550.574 5.501 40 10 KKCBRL O=S(=O)([O-])c1cc2c(ccc(S(=O)(=O)[O-])c2/N=N/c2ccccc2/C=C\c2nc3ccccc3[nH]2)c(S(=O)(=O)[O-])c1 ZINC000100367689 554353823 /nfs/dbraw/zinc/35/38/23/554353823.db2.gz VDRQIBOYTROSEX-YWYNZZHRSA-N -3 0 614.639 5.042 40 10 KKCBRL O=C1C=Cc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2C1=NNc1ccc(N=Nc2ccccc2)cc1 ZINC000101466379 554780793 /nfs/dbraw/zinc/78/07/93/554780793.db2.gz PIEQFSVTZMAUJA-RIIXPHEHSA-N -2 0 512.525 5.870 40 10 KKCBRL CC(=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1)c1c(=O)n(-c2ccc(F)cc2)[n-]c1-c1ccccc1 ZINC000103921252 571369629 /nfs/dbraw/zinc/36/96/29/571369629.db2.gz JKTYXEUARCIASB-UQQQWYQISA-N -2 0 563.014 5.207 40 10 KKCBRL CC(=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1)c1c(=O)n(-c2ccccc2)[n-]c1-c1ccccc1 ZINC000103921241 571369689 /nfs/dbraw/zinc/36/96/89/571369689.db2.gz JLGJLJLZNMETGW-BWAHOGKJSA-N -2 0 545.024 5.068 40 10 KKCBRL Nc1ccc2c(c1)C(=O)C(=NNc1ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc1)C(S(=O)(=O)[O-])=C2 ZINC000104044307 571371642 /nfs/dbraw/zinc/37/16/42/571371642.db2.gz IRGWFPQSVKCDEC-IUQQBYGBSA-N -2 0 583.582 7.276 40 10 KKCBRL Cc1cc(C)c(N=NC2=CC(=[NH+][N-]c3c(C)cc(C)cc3S(=O)(=O)[O-])c3ccccc3C2=O)c(S(=O)(=O)[O-])c1 ZINC000104045389 571371658 /nfs/dbraw/zinc/37/16/58/571371658.db2.gz FKLXKNMPDFTFPS-ZUELCTOOSA-N -2 0 568.633 7.103 40 10 KKCBRL Cc1cc(C)c(N=Nc2cc(C)c(N)c(N=Nc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)c2N)c(S(=O)(=O)[O-])c1 ZINC000104050520 571371828 /nfs/dbraw/zinc/37/18/28/571371828.db2.gz ABHWAZARRFMXPQ-PALRPMONSA-N -2 0 602.633 7.673 40 10 KKCBRL Cc1ccccc1N=Nc1ccc(NN=C2C(=O)C=Cc3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c32)c(C)c1 ZINC000104221664 571377213 /nfs/dbraw/zinc/37/72/13/571377213.db2.gz MGOSORQIYUOFSQ-COGCMUBNSA-N -2 0 540.579 6.486 40 10 KKCBRL CC1=CC(=NNc2ccc(-c3ccc(NN=C4C=C(C)C(=O)C(C(=O)[O-])=C4)cc3)cc2)C=C(C(=O)[O-])C1=O ZINC000104221778 571377231 /nfs/dbraw/zinc/37/72/31/571377231.db2.gz VKWTWQFXBPNXLB-SNQKRLHOSA-N -2 0 510.506 7.609 40 10 KKCBRL Nc1ccc(S(=O)(=O)[O-])c2c1C(=O)C(=NNc1ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)c3ccccc13)C=C2 ZINC000104323902 571379141 /nfs/dbraw/zinc/37/91/41/571379141.db2.gz LTUMHABOUUZCLG-XKYJUMAPSA-N -2 0 577.600 6.605 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(N=Nc3c(Nc4ccccc4)ccc4cc(S(=O)(=O)[O-])cc(O)c43)cc2)C=CC1=O ZINC000104367281 571379594 /nfs/dbraw/zinc/37/95/94/571379594.db2.gz ORQRLXUMXSQHJV-WANSBIPISA-N -2 0 583.582 7.770 40 10 KKCBRL Cc1ccc(N=Nc2c(N)c3c(cc2S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N=Nc2ccc([N+](=O)[O-])cc2)c3O)cc1 ZINC000104367087 571379634 /nfs/dbraw/zinc/37/96/34/571379634.db2.gz PHLREJXSYVJPII-ZQZMJUSDSA-N -2 0 586.564 5.668 40 10 KKCBRL NC1=CC=C2C(=O)C=C(S(=O)(=O)[O-])C=C2C1=NNc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000104388998 571379907 /nfs/dbraw/zinc/37/99/07/571379907.db2.gz FAVWUHVDBDLERC-RNDSACKQSA-N -2 0 527.540 5.452 40 10 KKCBRL O=C1c2ccccc2C=C(S(=O)(=O)[O-])C1=NNc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000104389438 571379977 /nfs/dbraw/zinc/37/99/77/571379977.db2.gz POZWNRJWLYUOAY-RUFRKCMOSA-N -2 0 512.525 5.870 40 10 KKCBRL O=C1C=C([O-])C=CC1=NNc1ccc(C=Cc2ccc(NN=C3C=CC([O-])=CC3=O)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1 ZINC000104389502 571380009 /nfs/dbraw/zinc/38/00/09/571380009.db2.gz GLVLQKSQNZQNGF-XMKAFMIMSA-N -4 0 612.598 6.004 40 10 KKCBRL O=C1c2ccccc2C=C(S(=O)(=O)[O-])C1=NNc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000104389441 571380019 /nfs/dbraw/zinc/38/00/19/571380019.db2.gz POZWNRJWLYUOAY-HXEHWPEMSA-N -2 0 512.525 5.870 40 10 KKCBRL Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=Nc1ccc(-c2ccc(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)c(S(=O)(=O)[O-])c2)cc1 ZINC000150339425 571457409 /nfs/dbraw/zinc/45/74/09/571457409.db2.gz VIMSRKLHXNUATO-CDINVVELSA-N -3 0 788.842 7.214 40 10 KKCBRL Nc1ccc(N=Nc2ccc(-c3ccc(N=Nc4c(N)c5c(cc4S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C(=NNc4ccccc4)C5=O)cc3)cc2)c(N)c1 ZINC000150343474 571458980 /nfs/dbraw/zinc/45/89/80/571458980.db2.gz ATFARZXNCCWOKJ-GXCDCCPXSA-N -2 0 737.780 8.699 40 10 KKCBRL Nc1ccc2cc(S(=O)(=O)[O-])cc([O-])c2c1/N=N/c1ccc(-c2ccc(/N=N\c3c(N)ccc4cc(S(=O)(=O)[O-])cc(O)c43)cc2)cc1 ZINC000150366649 571464768 /nfs/dbraw/zinc/46/47/68/571464768.db2.gz MPTZYMIJXLJHHT-LYERXDRPSA-N -3 0 684.712 7.560 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2cccc(OCC(=O)[O-])c2)c1N ZINC000150366728 571464847 /nfs/dbraw/zinc/46/48/47/571464847.db2.gz GNCDAYFWWYGONF-HBUPIULHSA-N -2 0 644.648 8.940 40 10 KKCBRL Cc1cc(N=Nc2ccc(C(=O)Nc3ccc4cc(S(=O)(=O)[O-])ccc4c3)cc2)c(N)c(N=Nc2ccc(NN=C3C=CC(=O)C(C(=O)[O-])=C3)cc2)c1N ZINC000150367702 571465109 /nfs/dbraw/zinc/46/51/09/571465109.db2.gz CXFPVIYCRWPLIW-OXAGQTEZSA-N -2 0 743.762 9.462 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(N)cc2)ccc1N=Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc(S(=O)(=O)[O-])cc1C)c2O ZINC000150367658 571465113 /nfs/dbraw/zinc/46/51/13/571465113.db2.gz WUSSEEVJEVNPAB-TWQDDVAESA-N -2 0 674.717 7.321 40 10 KKCBRL Cc1cc(N=Nc2ccc(Sc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(C(=O)[O-])cc2)c1N ZINC000150368085 571465157 /nfs/dbraw/zinc/46/51/57/571465157.db2.gz OMYQZIJDBGYBCY-MFFYRYHASA-N -2 0 646.689 9.659 40 10 KKCBRL Cc1ccc(N=Nc2c(N)c(N=Nc3ccc(-c4ccc(NN=C5C=CC(=O)C(C(=O)[O-])=C5)cc4)cc3)cc(S(=O)(=O)[O-])c2N)cc1 ZINC000150367928 571465225 /nfs/dbraw/zinc/46/52/25/571465225.db2.gz YDNYTNZBSIIMCS-DQFXIYPZSA-N -2 0 650.677 8.723 40 10 KKCBRL COc1cc(/N=N\c2cc(C)c(/N=N\c3cc(S(=O)(=O)[O-])ccc3S(=O)(=O)[O-])cc2OC)c(C)cc1/N=N\c1ccc(NC(=O)c2ccc(N)cc2)cc1C ZINC000150367950 571465249 /nfs/dbraw/zinc/46/52/49/571465249.db2.gz FIUUHSFSIWXQLE-AGPHHGIASA-N -2 0 786.849 9.203 40 10 KKCBRL CC(=O)Nc1cc(/N=N\c2ccc(/N=N/c3ccc(NC(=O)c4ccc(N)cc4)cc3C)cc2C)c(S(=O)(=O)[O-])cc1/N=N\c1cccc(C(=O)[O-])c1 ZINC000150368187 571465316 /nfs/dbraw/zinc/46/53/16/571465316.db2.gz NVUVXNHUZFYHLD-KVCHSFQZSA-N -2 0 733.767 9.287 40 10 KKCBRL COc1cc(/N=N/c2ccc(/N=N\c3cc(S(=O)(=O)[O-])ccc3S(=O)(=O)[O-])c(C)c2)c(C)cc1/N=N\c1cc(OC)c(NC(=O)c2ccc(N)cc2)cc1C ZINC000150368198 571465330 /nfs/dbraw/zinc/46/53/30/571465330.db2.gz PNYGUBLKHQGGBV-LDRDJLGVSA-N -2 0 786.849 9.203 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(-c3ccc(NN=C4C(=O)c5ccc(Nc6ccccc6)cc5C=C4S(=O)(=O)[O-])cc3)cc2)C=CC1=O ZINC000150368144 571465334 /nfs/dbraw/zinc/46/53/34/571465334.db2.gz RZAHKAAVHNDUQR-YKSAKOAQSA-N -2 0 659.680 9.437 40 10 KKCBRL Nc1ccc(N=Nc2ccc(-c3ccc(N=Nc4c(N)c5c(cc4S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C(=NNc4ccccc4)C5=O)cc3)cc2)c(N)c1 ZINC000150386627 571469429 /nfs/dbraw/zinc/46/94/29/571469429.db2.gz ATFARZXNCCWOKJ-IJRPWLDOSA-N -2 0 737.780 8.699 40 10 KKCBRL Cc1[n-]n(C(=O)CC(=O)Nc2ccc(C)cc2)c(=O)c1N=Nc1ccc(S(=O)(=O)c2ccc(N=Nc3c(C)[n-]n(C(=O)CC(=O)Nc4ccc(C)cc4)c3=O)cc2)cc1 ZINC000150448591 571501495 /nfs/dbraw/zinc/50/14/95/571501495.db2.gz VXIOZNKRTFJDBO-YUPPNRDESA-N -2 0 816.857 5.588 40 10 KKCBRL O=C(Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccccc1)C2=O)Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccccc1)C2=O ZINC000150454424 571503989 /nfs/dbraw/zinc/50/39/89/571503989.db2.gz XKNUVBQTZXGYHL-WVCCOWEBSA-N -2 0 712.722 8.372 40 10 KKCBRL O=C1C=Cc2ccccc2C1=NNc1ccc(C=Cc2ccc(NN=C3C(=O)C=Cc4ccccc43)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1 ZINC000150468359 571508446 /nfs/dbraw/zinc/50/84/46/571508446.db2.gz ITHIYCYVWVTJNE-WYNLQFTPSA-N -2 0 680.720 8.899 40 10 KKCBRL Cc1ccc(N=Nc2ccc(N=Nc3c(O)c4ccc(Nc5ccccc5)cc4cc3S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])ccc23)cc1 ZINC000150475583 571510669 /nfs/dbraw/zinc/51/06/69/571510669.db2.gz XUTMNRPZAMMJOA-RLUKNFBTSA-N -2 0 667.725 9.075 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(N)cc2)ccc1N=Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccc3cc(S(=O)(=O)[O-])ccc3c1)C2=O ZINC000150475595 571510702 /nfs/dbraw/zinc/51/07/02/571510702.db2.gz SUCVNJJGJQUCBI-YKSAKOAQSA-N -2 0 710.750 8.166 40 10 KKCBRL CC(=O)Nc1cc(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccc(C(=O)Nc3ccc4cc(S(=O)(=O)[O-])ccc4c3)cc1)C(S(=O)(=O)[O-])=C2 ZINC000150475545 571510737 /nfs/dbraw/zinc/51/07/37/571510737.db2.gz AGAYOPKBEBHPJJ-KARKAFJISA-N -3 0 714.712 5.065 40 10 KKCBRL Nc1cccc(NN=C2C(=O)c3ccc(NC(=O)Nc4ccc5c(c4)C=C(S(=O)(=O)[O-])C(=NNc4cccc(N)c4)C5=O)cc3C=C2S(=O)(=O)[O-])c1 ZINC000150476919 571511065 /nfs/dbraw/zinc/51/10/65/571511065.db2.gz PBUWOKNWPFTLNR-IRGIMFCPSA-N -2 0 742.752 7.537 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(-c3ccc(NN=c4ccc(=O)c(=NNc5ccc(S(=O)(=O)[O-])c6ccccc56)c4=O)cc3)cc2)C=CC1=O ZINC000150476982 571511069 /nfs/dbraw/zinc/51/10/69/571511069.db2.gz NMPIFMYZEIQYPQ-LJEMIJFJSA-N -2 0 688.678 9.815 40 10 KKCBRL COc1cc(-c2ccc(NN=C3c4ccccc4C=CC3=O)c(OC)c2)ccc1NN=C1C=Cc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c2C1=O ZINC000150476942 571511105 /nfs/dbraw/zinc/51/11/05/571511105.db2.gz NPKFSFQEYLFRPM-VAXAQTQESA-N -2 0 729.749 7.995 40 10 KKCBRL Nc1ccc(N=Nc2ccc(N=Nc3ccc(NN=C4C=C(S(=O)(=O)[O-])c5ccccc5C4=O)c4ccc(S(=O)(=O)[O-])cc34)c3ccc(S(=O)(=O)[O-])cc23)cc1 ZINC000150477017 571511197 /nfs/dbraw/zinc/51/11/97/571511197.db2.gz UVICFDGLFOZKOQ-NNKFBRFLSA-N -3 0 811.836 9.420 40 10 KKCBRL Cc1cc(-c2ccc(NN=C3C(=O)c4c(N)cc(S(=O)(=O)[O-])cc4C=C3S(=O)(=O)[O-])c(C)c2)ccc1NN=C1C=Cc2c(S(=O)(=O)[O-])ccc(N)c2C1=O ZINC000150478970 571511591 /nfs/dbraw/zinc/51/15/91/571511591.db2.gz AICLBRRCLVJTST-YKSAKOAQSA-N -3 0 792.830 7.423 40 10 KKCBRL Nc1cc(N)c(N=Nc2ccc(-c3ccc(N=Nc4c(N)c5c(cc4S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C(=NNc4ccccc4)C5=O)cc3)cc2)cc1Cl ZINC000150482847 571513518 /nfs/dbraw/zinc/51/35/18/571513518.db2.gz HMZPHXXSHKBETL-DGMOSHDYSA-N -2 0 772.225 9.352 40 10 KKCBRL COc1cc(N=Nc2ccc(S(=O)(=O)[O-])cc2)ccc1NN=C1c2ccc(S(=O)(=O)[O-])cc2C=C(S(=O)(=O)[O-])C1=O ZINC000150485076 571515594 /nfs/dbraw/zinc/51/55/94/571515594.db2.gz KKPWWSQRABXCKS-OUYNTLDRSA-N -3 0 622.615 5.125 40 10 KKCBRL COc1cc(/N=N/c2cccc(S(=O)(=O)[O-])c2)ccc1NC(=O)c1ccc(C(=O)Nc2ccc(/N=N/c3cccc(S(=O)(=O)[O-])c3)cc2OC)cc1 ZINC000150485170 571515773 /nfs/dbraw/zinc/51/57/73/571515773.db2.gz WYZIUHBFGKAAQB-HVMBLDELSA-N -2 0 744.764 7.533 40 10 KKCBRL Cc1cc(N=Nc2ccc(Sc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(S(=O)(=O)[O-])cc2)c1N ZINC000150485426 571515938 /nfs/dbraw/zinc/51/59/38/571515938.db2.gz OKXJENZJSYUYBE-KOPQAYRDSA-N -2 0 682.744 9.207 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)[O-])cc3)cc2)c1N ZINC000150485590 571516055 /nfs/dbraw/zinc/51/60/55/571516055.db2.gz ZFFXGMZEQZCKFS-YWHAVBISSA-N -2 0 769.800 9.975 40 10 KKCBRL CCOc1ccc(Nc2ccc(N=Nc3c(N)c(C)cc(N=Nc4ccc(-c5ccc(NN=C6C=CC(=O)C(C(=O)[O-])=C6)cc5)cc4)c3N)cc2S(=O)(=O)[O-])cc1 ZINC000150485642 571516069 /nfs/dbraw/zinc/51/60/69/571516069.db2.gz WIGUODXJYVJDCK-VWGLVVNISA-N -2 0 785.843 10.865 40 10 KKCBRL CCOc1ccc(Nc2ccc(N=Nc3c(N)c(C)cc(N=Nc4ccc(-c5ccc(NN=C6C=CC(=O)C(C(=O)[O-])=C6)cc5)cc4)c3N)cc2S(=O)(=O)[O-])cc1 ZINC000150485636 571516110 /nfs/dbraw/zinc/51/61/10/571516110.db2.gz WIGUODXJYVJDCK-QTJQXUBOSA-N -2 0 785.843 10.865 40 10 KKCBRL Nc1ccc2c(c1)C(=O)C(=NN=C1C=CC(=NNc3ccc(N)c4cc(S(=O)(=O)[O-])ccc34)c3ccccc31)C(S(=O)(=O)[O-])=C2 ZINC000150488201 571516866 /nfs/dbraw/zinc/51/68/66/571516866.db2.gz GKDDGAAABHSGRK-GLTNCGNLSA-N -2 0 642.675 7.340 40 10 KKCBRL CCOc1ccc(N=Nc2ccc(-c3ccc(NN=C4C(=O)C=Cc5cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c54)c(C)c3)cc2C)cc1 ZINC000150552452 571520781 /nfs/dbraw/zinc/52/07/81/571520781.db2.gz UPWKNFZOZGYCQR-VKSNKJACSA-N -2 0 660.730 8.552 40 10 KKCBRL O=C1C=CC(=NNc2ccc([C@@H](c3ccc(NN=C4C(=O)C=Cc5cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c54)cc3)C3CCCCC3)cc2)C=C1 ZINC000150643618 571524779 /nfs/dbraw/zinc/52/47/79/571524779.db2.gz IRYHBCRRNRAQKP-MELXJSHYSA-N -2 0 700.795 9.287 40 10 KKCBRL Nc1ccc2c(c1N=Nc1ccc(S(=O)(=O)[O-])cc1Cl)C=C(S(=O)(=O)[O-])C(=NNc1ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc1)C2=O ZINC000150662191 571527696 /nfs/dbraw/zinc/52/76/96/571527696.db2.gz MGJWBNYNGUJIDA-CVVKNPDDSA-N -3 0 802.203 9.591 40 10 KKCBRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=O)N(Cc4c(F)cccc4Cl)C3=O)o2)c1 ZINC000215175872 571583557 /nfs/dbraw/zinc/58/35/57/571583557.db2.gz RLODIHJJAPTORK-DJKKODMXSA-N -2 0 501.875 5.372 40 10 KKCBRL COC1=CC(=C2C=CC(=NNc3cc(S(=O)(=O)[O-])c4ccccc4c3O)C(OC)=C2)C=CC1=NN=C1C(=O)c2ccc(N)cc2C=C1S(=O)(=O)[O-] ZINC000261088320 572079770 /nfs/dbraw/zinc/07/97/70/572079770.db2.gz DAUWYVUKZMSMCP-UHFFFAOYSA-N -2 0 729.749 7.995 40 10 KKCBRL Nc1c(N=Nc2ccc(-c3ccc(N=Nc4c(N)c5c(cc4S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C(=NNc4ccccc4)C5=O)cc3)cc2)ccc2c1cccc2S(=O)(=O)[O-] ZINC000261159981 572103038 /nfs/dbraw/zinc/10/30/38/572103038.db2.gz QSFJQSAXHHUOHR-UHFFFAOYSA-N -3 0 852.889 9.516 40 10 KKCBRL Cc1cc(-c2ccc(N=Nc3cc(S(=O)(=O)[O-])c4ccccc4c3N)c(C)c2)ccc1N=Nc1cc(S(=O)(=O)[O-])c2ccccc2c1N ZINC000263605610 572129799 /nfs/dbraw/zinc/12/97/99/572129799.db2.gz PYPYDHUIORYEHW-UHFFFAOYSA-N -2 0 680.768 8.765 40 10 aggregator KKCBRL O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4Cl)C3=O)cc2I)cc1 ZINC000408777610 1069894196 /nfs/dbraw/zinc/89/41/96/1069894196.db2.gz DDVPTBCUSDLUDB-RQZCQDPDSA-N -2 0 637.213 5.542 40 10 KKCBRL O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Br)c([O-])c([N+](=O)[O-])c1 ZINC000408843398 1070057746 /nfs/dbraw/zinc/05/77/46/1070057746.db2.gz FHADPYLWYUMWEQ-DNTJNYDQSA-N -2 0 566.408 5.197 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000408850102 1070063538 /nfs/dbraw/zinc/06/35/38/1070063538.db2.gz GAABEKKNTIACFI-DJKKODMXSA-N -2 0 572.357 5.251 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408855608 1070074665 /nfs/dbraw/zinc/07/46/65/1070074665.db2.gz DYVHMTOWNQRKDN-LICLKQGHSA-N -2 0 697.334 6.105 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408860259 1070077065 /nfs/dbraw/zinc/07/70/65/1070077065.db2.gz ZKOAJDMWXINWCZ-CAOOACKPSA-N -2 0 548.835 5.584 40 10 KKCBRL CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)cc1 ZINC000408985144 1070345308 /nfs/dbraw/zinc/34/53/08/1070345308.db2.gz VUTAYQBKMZJTKP-JAIQZWGSSA-N -2 0 722.273 5.402 40 10 KKCBRL COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[n-]n(-c3ccccc3)c2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000409002907 1070378245 /nfs/dbraw/zinc/37/82/45/1070378245.db2.gz CGSSSTAHMDKAFO-UHFFFAOYSA-N -2 0 622.703 6.043 40 10 KKCBRL Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1cccc(OCc2cccc3ccccc32)c1 ZINC000409178599 1070594107 /nfs/dbraw/zinc/59/41/07/1070594107.db2.gz MDSRJOZEWVCJGO-UHFFFAOYSA-N -2 0 592.699 7.998 40 10 KKCBRL Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1cccc(OS(=O)(=O)c2ccc(C)cc2)c1 ZINC000409335105 1070855106 /nfs/dbraw/zinc/85/51/06/1070855106.db2.gz JTDPOQPWWUOHRY-UHFFFAOYSA-N -2 0 606.704 6.342 40 10 KKCBRL O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Cl)c1 ZINC000408903616 1070902617 /nfs/dbraw/zinc/90/26/17/1070902617.db2.gz UODJIEJTLGMNSA-YBFXNURJSA-N -2 0 555.768 5.046 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409385335 1070903098 /nfs/dbraw/zinc/90/30/98/1070903098.db2.gz JNMPJWJJCVUJFC-LFIBNONCSA-N -2 0 574.511 5.871 40 10 KKCBRL CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409387750 1070909803 /nfs/dbraw/zinc/90/98/03/1070909803.db2.gz QHGLLIOWEBUQOZ-CIAFOILYSA-N -2 0 595.471 5.129 40 10 KKCBRL CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3sc4c(c3C(=O)[O-])CCCC4)c2C)C(=O)[N-]C1=S ZINC000409386796 1070908927 /nfs/dbraw/zinc/90/89/27/1070908927.db2.gz SAFYDRCFOMRGBI-XSFVSMFZSA-N -2 0 533.675 5.126 40 10 KKCBRL COc1ccc(-c2[n-]n(-c3ccc(OC)cc3)c(=O)c2C(C)=Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)cc1 ZINC000103922594 1070935026 /nfs/dbraw/zinc/93/50/26/1070935026.db2.gz NMJHOTDXVLNDNH-OOAXWGSJSA-N -2 0 587.658 5.246 40 10 KKCBRL O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 ZINC000408936151 1071214075 /nfs/dbraw/zinc/21/40/75/1071214075.db2.gz ONLZYNCJOGHMBK-JFLMPSFJSA-N -2 0 535.600 5.310 40 10 KKCBRL Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=Nc1ccc(C(c2ccccc2)c2ccc(N=Nc3c(C)[n-]n(-c4ccc(S(=O)(=O)[O-])cc4)c3=O)cc2)cc1 ZINC000263617372 1071225417 /nfs/dbraw/zinc/22/54/17/1071225417.db2.gz NKVJEGDPCFUFKN-CUNPMKDRSA-N -4 0 804.867 7.110 40 10 KKCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OCc3cccc(Cl)c3)C2=O)cc1 ZINC000408945587 1071278011 /nfs/dbraw/zinc/27/80/11/1071278011.db2.gz WVKMYUUWSJIWRB-UDWIEESQSA-N -2 0 555.768 5.046 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408940052 1071320399 /nfs/dbraw/zinc/32/03/99/1071320399.db2.gz TXLVCCUHSFNERA-DJKKODMXSA-N -2 0 681.266 5.940 40 10 KKCBRL Cc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)[N-]C2=S)cc1 ZINC000408994073 1071562264 /nfs/dbraw/zinc/56/22/64/1071562264.db2.gz FMSWUWPJHUCBLY-VXLYETTFSA-N -2 0 724.314 5.313 40 10 KKCBRL Cc1cc(Br)ccc1N1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C(=O)[N-]C1=S ZINC000408739798 1071601544 /nfs/dbraw/zinc/60/15/44/1071601544.db2.gz ANBFENHNSNPOJG-YBEGLDIGSA-N -2 0 545.798 5.200 40 10 KKCBRL Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)o3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000409006731 1071624161 /nfs/dbraw/zinc/62/41/61/1071624161.db2.gz KMFIFFVGMBQXSI-XYGWBWBKSA-N -2 0 566.591 5.708 40 10 KKCBRL Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)c1 ZINC000408999084 1071655740 /nfs/dbraw/zinc/65/57/40/1071655740.db2.gz WGTUHYLJSSEZTO-KEBDBYFISA-N -2 0 722.273 5.456 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408765177 1071724559 /nfs/dbraw/zinc/72/45/59/1071724559.db2.gz XAGNTVYYWOQFHG-RGVLZGJSSA-N -2 0 705.299 5.704 40 10 KKCBRL O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)o2)cc1Cl ZINC000408774996 1071757453 /nfs/dbraw/zinc/75/74/53/1071757453.db2.gz DZRNIYCNCUTWMR-NTEUORMPSA-N -2 0 505.697 5.271 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408780425 1071824934 /nfs/dbraw/zinc/82/49/34/1071824934.db2.gz YDXCVGAPIXLVFG-VXLYETTFSA-N -2 0 585.794 5.055 40 10 KKCBRL O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408786796 1071847023 /nfs/dbraw/zinc/84/70/23/1071847023.db2.gz NXYFUUVZNDBUCI-UDWIEESQSA-N -2 0 555.768 5.046 40 10 KKCBRL Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000409066411 1071994819 /nfs/dbraw/zinc/99/48/19/1071994819.db2.gz NAGHTXWUALWPIV-DJKKODMXSA-N -2 0 559.789 5.899 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409072648 1072080894 /nfs/dbraw/zinc/08/08/94/1072080894.db2.gz KDQIZFSYHODMDX-VCHYOVAHSA-N -2 0 599.821 5.363 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409072556 1072082226 /nfs/dbraw/zinc/08/22/26/1072082226.db2.gz VXFULGCRNJDUPZ-GIJQJNRQSA-N -2 0 589.815 5.989 40 10 KKCBRL CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(OCC)c3)C2=O)cc1 ZINC000409071213 1072090399 /nfs/dbraw/zinc/09/03/99/1072090399.db2.gz FZWXGCRLIOUEGM-LPYMAVHISA-N -2 0 564.978 5.081 40 10 KKCBRL Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000409069744 1072100066 /nfs/dbraw/zinc/10/00/66/1072100066.db2.gz WCWBAJAWKBYOFQ-XDHOZWIPSA-N -2 0 525.344 5.245 40 10 KKCBRL O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2)cc1 ZINC000409067508 1072118425 /nfs/dbraw/zinc/11/84/25/1072118425.db2.gz YLYBNQMISUBCDI-MTDXEUNCSA-N -2 0 548.551 5.209 40 10 KKCBRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)o2)c1 ZINC000409328856 1072388488 /nfs/dbraw/zinc/38/84/88/1072388488.db2.gz BPDCUOVGFRSFSD-NVMNQCDNSA-N -2 0 520.371 6.056 40 10 KKCBRL Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1Cl ZINC000409336850 1072408070 /nfs/dbraw/zinc/40/80/70/1072408070.db2.gz QNHNOCGIUACQHI-JAIQZWGSSA-N -2 0 569.795 5.355 40 10 KKCBRL CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)o3)C2=O)ccc1Cl ZINC000409150259 1072630440 /nfs/dbraw/zinc/63/04/40/1072630440.db2.gz BANOMLRVKOWNAD-WSDLNYQXSA-N -2 0 613.000 5.238 40 10 KKCBRL Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387108 1072682131 /nfs/dbraw/zinc/68/21/31/1072682131.db2.gz TYMHKYPQRBZJOH-DEDYPNTBSA-N -2 0 517.607 5.016 40 10 KKCBRL CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409195522 1072836671 /nfs/dbraw/zinc/83/66/71/1072836671.db2.gz WCINPFAZFTZSRH-ZVHZXABRSA-N -2 0 637.085 5.865 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409190358 1072870001 /nfs/dbraw/zinc/87/00/01/1072870001.db2.gz XOJBVMALXPWQQF-JVWAILMASA-N -2 0 630.520 5.965 40 10 KKCBRL O=C([O-])c1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)C(=O)[N-]C2=S)cc1 ZINC000409189571 1072874605 /nfs/dbraw/zinc/87/46/05/1072874605.db2.gz QQDLYOCUVAAUQH-USHMODERSA-N -2 0 614.639 6.249 40 10 KKCBRL O=S(=O)([O-])c1cc2c(ccc(S(=O)(=O)[O-])c2/N=N/c2cccc(/C=C/c3nc4ccccc4[nH]3)c2)c(S(=O)(=O)[O-])c1 ZINC000004261444 552453807 /nfs/dbraw/zinc/45/38/07/552453807.db2.gz BLIYGIDMNCXDBM-DADYSPOESA-N -3 0 614.639 5.042 40 10 KKCBRL O=S(=O)([O-])c1ccc(/N=N/c2ccc(/N=N/c3ccc(/N=N/c4ccc(S(=O)(=O)[O-])cc4)cc3)cc2)cc1 ZINC000004266017 552454922 /nfs/dbraw/zinc/45/49/22/552454922.db2.gz LEPMWESGZDWBNR-MNDZRGPXSA-N -2 0 550.578 7.426 40 10 KKCBRL O=C1C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccc(C=Cc2nc3ccccc3[nH]2)cc1 ZINC000004701253 552472022 /nfs/dbraw/zinc/47/20/22/552472022.db2.gz BNPGXKUMUMCMHO-VKTJCIKLSA-N -2 0 550.574 5.501 40 10 KKCBRL COc1cc(N=Nc2ccc(S(=O)(=O)[O-])cc2)ccc1NN=C1C(=O)C=Cc2cc(S(=O)(=O)[O-])ccc21 ZINC000004758269 552476241 /nfs/dbraw/zinc/47/62/41/552476241.db2.gz JJPGXAVPIMHUCQ-JQRDNDPDSA-N -2 0 542.551 5.878 40 10 KKCBRL O=C1c2ccccc2C(S(=O)(=O)[O-])=CC1=NNc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000004804166 552486904 /nfs/dbraw/zinc/48/69/04/552486904.db2.gz HRJPKTJYWMCGSF-QSZPNPOGSA-N -2 0 512.525 5.870 40 10 KKCBRL O=C(Nc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1)c1ccc(NN=C2C=Cc3c(cccc3S(=O)(=O)[O-])C2=O)cc1 ZINC000004804183 552487283 /nfs/dbraw/zinc/48/72/83/552487283.db2.gz CWIUNTCZDRANSF-HSBKYFPUSA-N -2 0 631.648 7.122 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(NC(=O)Nc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)C=CC1=O ZINC000004887164 552488558 /nfs/dbraw/zinc/48/85/58/552488558.db2.gz RGFYLWOAVUGTJI-RRPBDJRISA-N -2 0 540.492 6.969 40 10 KKCBRL Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000016268513 553558057 /nfs/dbraw/zinc/55/80/57/553558057.db2.gz ZRIVLDJIHJBUEG-NDENLUEZSA-N -2 0 508.328 5.062 40 10 KKCBRL O=S(=O)([O-])c1ccccc1N=Nc1ccc(N=Nc2c(O)ccc3ccccc32)c(S(=O)(=O)[O-])c1 ZINC000017145580 553588870 /nfs/dbraw/zinc/58/88/70/553588870.db2.gz RYUPVRNBWXCXBA-HXEHWPEMSA-N -2 0 512.525 5.870 40 10 KKCBRL Cc1ccc2nc(-c3ccc(NN=C4C=C(S(=O)(=O)[O-])c5ccccc5C4=O)cc3)sc2c1S(=O)(=O)[O-] ZINC000079199151 553669330 /nfs/dbraw/zinc/66/93/30/553669330.db2.gz NAXWWTPJXAIEJE-RQZHXJHFSA-N -2 0 555.615 6.039 40 10 KKCBRL Nc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)C=C(S(=O)(=O)[O-])C(=NNc3ccc(N=Nc5ccc(S(=O)(=O)[O-])cc5)cc3)C4=O)c2)cc1 ZINC000095549026 553703686 /nfs/dbraw/zinc/70/36/86/553703686.db2.gz OLMUVGULQUUYMK-LINOHWEVSA-N -2 0 765.786 7.956 40 10 KKCBRL O=C1C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccccc1C=Cc1nc2ccccc2[nH]1 ZINC000051012309 554328594 /nfs/dbraw/zinc/32/85/94/554328594.db2.gz DYGFYPFTTUXFLN-GRUKLGFSSA-N -2 0 550.574 5.501 40 10 KKCBRL Nc1cc(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccc(C=Cc3nc4ccccc4[nH]3)cc1)C(S(=O)(=O)[O-])=C2 ZINC000051092778 554328830 /nfs/dbraw/zinc/32/88/30/554328830.db2.gz YFCPNBURVWUWDE-AXBHWCKXSA-N -2 0 565.589 5.083 40 10 KKCBRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(=O)[O-])N2 ZINC000058849701 554369485 /nfs/dbraw/zinc/36/94/85/554369485.db2.gz ISPLKWRGJRMEIE-ATLLOTDBSA-N -2 0 510.999 5.674 40 10 KKCBRL Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000059198412 554384970 /nfs/dbraw/zinc/38/49/70/554384970.db2.gz GRZPKXKOQVWRAE-YBFXNURJSA-N -2 0 508.328 5.062 40 10 KKCBRL O=C1C=Cc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2C1=NNc1ccc(N=Nc2ccccc2)cc1 ZINC000101466381 554780836 /nfs/dbraw/zinc/78/08/36/554780836.db2.gz PIEQFSVTZMAUJA-HXEHWPEMSA-N -2 0 512.525 5.870 40 10 KKCBRL CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)C2=O)cc1 ZINC000101692838 554830975 /nfs/dbraw/zinc/83/09/75/554830975.db2.gz JYMASDDNRSTLRF-JAIQZWGSSA-N -2 0 539.371 5.499 40 10 KKCBRL Cc1cc(S(=O)(=O)[O-])c(N)c(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)c(C)c3)cc2C)c1N ZINC000101982015 554863878 /nfs/dbraw/zinc/86/38/78/554863878.db2.gz QYRKLZKJMKCVSE-NELHQWCOSA-N -2 0 574.619 6.925 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000103866780 571368101 /nfs/dbraw/zinc/36/81/01/571368101.db2.gz GWKBAWJDBMJQRA-WKULSOCRSA-N -2 0 606.675 6.107 40 10 KKCBRL CC(=Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1 ZINC000103921133 571369709 /nfs/dbraw/zinc/36/97/09/571369709.db2.gz BRTNUWUJIHETOO-PLRJNAJWSA-N -2 0 581.683 5.333 40 10 KKCBRL Nc1ccc(N=Nc2ccc(C(=O)[O-])cc2)c(N)c1N=Nc1ccc(NN=C2C=CC(=O)C(C(=O)[O-])=C2)cc1 ZINC000104050443 571371822 /nfs/dbraw/zinc/37/18/22/571371822.db2.gz LDRNQVKKBYGPER-QTOPOIMSSA-N -2 0 524.497 7.199 40 10 KKCBRL Nc1ccc2cc(S(=O)(=O)[O-])cc(O)c2c1N=Nc1ccc(-c2ccc(NN=C3C=CC(=O)C(C(=O)[O-])=C3)cc2)cc1 ZINC000104135491 571374610 /nfs/dbraw/zinc/37/46/10/571374610.db2.gz OKRYVJRSHSURIS-UGNJQGKKSA-N -3 0 583.582 7.276 40 10 KKCBRL COc1cc(N=Nc2cccc(S(=O)(=O)[O-])c2)ccc1NC(=O)Nc1ccc(NN=C2C=CC(=O)C(C(=O)[O-])=C2)cc1 ZINC000104323923 571379137 /nfs/dbraw/zinc/37/91/37/571379137.db2.gz QLPXEVTZQMICLN-UOALMSBLSA-N -2 0 590.574 6.821 40 10 KKCBRL O=C([O-])C1=C([O-])C=CC(=NNc2ccc(NN=C3C=Cc4c(cccc4S(=O)(=O)[O-])C3=O)c3ccccc23)C1=O ZINC000104370078 571379606 /nfs/dbraw/zinc/37/96/06/571379606.db2.gz ZDJYHTYMDDHACP-MCDSGTGBSA-N -3 0 558.528 6.886 40 10 KKCBRL Cc1ccc(N=Nc2c(N)c3c(cc2S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N=Nc2ccc([N+](=O)[O-])cc2)c3O)cc1 ZINC000104367077 571379615 /nfs/dbraw/zinc/37/96/15/571379615.db2.gz PHLREJXSYVJPII-LBXGSASVSA-N -2 0 586.564 5.668 40 10 KKCBRL Nc1ccc2c(O)c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c(S(=O)(=O)[O-])cc2c1 ZINC000104367037 571379640 /nfs/dbraw/zinc/37/96/40/571379640.db2.gz WGIIJSJDWAQMMF-OUYNTLDRSA-N -2 0 527.540 5.452 40 10 KKCBRL O=C(Nc1ccc2cc(S(=O)(=O)[O-])ccc2c1)c1ccc(NN=C2C=C(S(=O)(=O)[O-])c3ccccc3C2=O)cc1 ZINC000104367221 571379670 /nfs/dbraw/zinc/37/96/70/571379670.db2.gz YTRLKPMFDHYCRN-FLWNBWAVSA-N -2 0 577.596 5.860 40 10 KKCBRL COc1cc(N=Nc2ccc(S(=O)(=O)[O-])cc2)ccc1N=Nc1c(O)c2ccccc2cc1S(=O)(=O)[O-] ZINC000104389092 571379926 /nfs/dbraw/zinc/37/99/26/571379926.db2.gz AVECTOQUNREBSH-DYORGOFNSA-N -2 0 542.551 5.878 40 10 KKCBRL COc1ccccc1NN=C1C(=O)c2c(N)c(N=Nc3ccc([N+](=O)[O-])cc3)c(S(=O)(=O)[O-])cc2C=C1S(=O)(=O)[O-] ZINC000104389463 571380001 /nfs/dbraw/zinc/38/00/01/571380001.db2.gz UOCOMQICCFXDGK-MPCWFZQZSA-N -2 0 602.563 5.369 40 10 KKCBRL O=C1C=C([O-])C=CC1=NNc1ccc(C=Cc2ccc(NN=C3C=CC([O-])=CC3=O)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1 ZINC000104389498 571380014 /nfs/dbraw/zinc/38/00/14/571380014.db2.gz GLVLQKSQNZQNGF-OYUDAGAHSA-N -4 0 612.598 6.004 40 10 KKCBRL Nc1c(/N=N/c2ccc(-c3ccc(/N=N\c4cc(S(=O)(=O)[O-])c5ccccc5c4N)cc3)cc2)cc(S(=O)(=O)[O-])c2ccccc12 ZINC000150338554 571457091 /nfs/dbraw/zinc/45/70/91/571457091.db2.gz HFHIDKQMGIGARX-LYERXDRPSA-N -2 0 652.714 8.149 40 10 in-vitro KKCBRL CCOC(=O)c1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(-c2ccc(N=Nc3c(=O)n(-c4ccccc4)[n-]c3C(=O)OCC)c(Cl)c2)cc1Cl ZINC000150344757 571459518 /nfs/dbraw/zinc/45/95/18/571459518.db2.gz PLYDMIIYRWUYBP-UEKRDYBKSA-N -2 0 739.576 7.497 40 10 KKCBRL Nc1ccc2c(c1)C(=O)C(=NNc1ccc(-c3ccc(NN=C4C(=O)c5c(N)cc(S(=O)(=O)[O-])cc5C=C4S(=O)(=O)[O-])cc3)cc1)C(S(=O)(=O)[O-])=C2 ZINC000150366653 571464762 /nfs/dbraw/zinc/46/47/62/571464762.db2.gz JDKKCKKFTIMFFD-JXPYRENWSA-N -3 0 764.776 6.807 40 10 KKCBRL Nc1c(N=Nc2cc(Cl)ccc2Cl)c(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccc(Sc3ccc(NN=C4C=CC(=O)C=C4)cc3)cc1)C(S(=O)(=O)[O-])=C2 ZINC000150366602 571464764 /nfs/dbraw/zinc/46/47/64/571464764.db2.gz XSHXIBNMPNPIGZ-BSOLDDLZSA-N -2 0 824.706 11.031 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(-c3ccc(NN=c4ccc(=O)c(=NNc5ccc(S(=O)(=O)[O-])cc5)c4=O)cc3)cc2)C=CC1=O ZINC000150366639 571464780 /nfs/dbraw/zinc/46/47/80/571464780.db2.gz MFKIBHRWIGTPSD-SXLZXYPESA-N -2 0 638.618 8.662 40 10 KKCBRL COc1cc(-c2ccc(/N=N\c3cc(S(=O)(=O)[O-])c4ccccc4c3N)c(OC)c2)ccc1/N=N/c1cc(S(=O)(=O)[O-])c2ccccc2c1N ZINC000150366713 571464868 /nfs/dbraw/zinc/46/48/68/571464868.db2.gz DZXPRYUVRGUYGO-NGHPONOGSA-N -2 0 712.766 8.166 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1/N=N/c1ccc(/N=N\c2ccc3c(O)cc(S(=O)(=O)[O-])cc3c2)c2cc(S(=O)(=O)[O-])ccc12 ZINC000150366822 571464878 /nfs/dbraw/zinc/46/48/78/571464878.db2.gz SMOLWFVRMRZEAR-SGXDOXMUSA-N -2 0 814.858 9.836 40 10 KKCBRL O=S(=O)([O-])c1cc([O-])c2c(c1)cc(S(=O)(=O)[O-])cc2N=Nc1ccc(N=Nc2c(O)c3ccc(Nc4ccccc4)cc3cc2S(=O)(=O)[O-])c2ccccc12 ZINC000150366730 571464889 /nfs/dbraw/zinc/46/48/89/571464889.db2.gz LINZZVAECORMOM-IRGIMFCPSA-N -4 0 799.821 8.872 40 10 KKCBRL Cc1cc(/N=N\c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2C)ccc1/N=N/c1ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2c1 ZINC000150367631 571465053 /nfs/dbraw/zinc/46/50/53/571465053.db2.gz SGYVGYBOSGJYNI-FFROBNHHSA-N -2 0 688.700 7.941 40 10 KKCBRL CC(=O)Nc1cc(/N=N/c2ccc(/N=N/c3ccc(NC(=O)c4ccc(N)cc4)cc3C)cc2C)c(S(=O)(=O)[O-])cc1/N=N\c1ccc(S(=O)(=O)[O-])cc1 ZINC000150367685 571465148 /nfs/dbraw/zinc/46/51/48/571465148.db2.gz MNQHYHFMPBGDLT-PUAKAUATSA-N -2 0 769.822 8.836 40 10 KKCBRL Cc1ccc(N=Nc2c(N)c(N=Nc3ccc(-c4ccc(NN=C5C=CC(=O)C(C(=O)[O-])=C5)cc4)cc3)cc(S(=O)(=O)[O-])c2N)cc1 ZINC000150367932 571465158 /nfs/dbraw/zinc/46/51/58/571465158.db2.gz YDNYTNZBSIIMCS-TUTYVFDISA-N -2 0 650.677 8.723 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(-c3ccc(S(=O)(=O)[O-])cc3)cc2)c1N ZINC000150367962 571465192 /nfs/dbraw/zinc/46/51/92/571465192.db2.gz POAYBMRAYZGIAQ-JPEXEUFFSA-N -2 0 726.775 10.390 40 10 KKCBRL Cc1ccc(N=Nc2c(N)c(N=Nc3ccc(-c4ccc(NN=C5C=CC(=O)C(C(=O)[O-])=C5)cc4)cc3)cc(S(=O)(=O)[O-])c2N)cc1 ZINC000150367934 571465217 /nfs/dbraw/zinc/46/52/17/571465217.db2.gz YDNYTNZBSIIMCS-KOPQAYRDSA-N -2 0 650.677 8.723 40 10 KKCBRL Cc1ccc(N=Nc2c(N)c(N=Nc3ccc(-c4ccc(NN=C5C=CC(=O)C(C(=O)[O-])=C5)cc4)cc3)cc(S(=O)(=O)[O-])c2N)cc1 ZINC000150367930 571465252 /nfs/dbraw/zinc/46/52/52/571465252.db2.gz YDNYTNZBSIIMCS-BKYIOHPISA-N -2 0 650.677 8.723 40 10 KKCBRL CC(=O)Nc1cc(/N=N/c2ccc(/N=N/c3ccc(NC(=O)c4ccc(N)cc4)cc3C)cc2C)c(S(=O)(=O)[O-])cc1/N=N\c1ccc(C(=O)[O-])cc1 ZINC000150368179 571465283 /nfs/dbraw/zinc/46/52/83/571465283.db2.gz OAJCTSVBUFGJTF-AFDKTXEVSA-N -2 0 733.767 9.287 40 10 KKCBRL COc1cc(/N=N/c2cc(NC(C)=O)c(/N=N\c3ccc(C(=O)[O-])cc3)cc2S(=O)(=O)[O-])c(C)cc1/N=N\c1ccc(NC(=O)c2ccc(N)cc2)cc1C ZINC000150368214 571465298 /nfs/dbraw/zinc/46/52/98/571465298.db2.gz DWFSGTVQPKEOPK-VUSIKODGSA-N -2 0 763.793 9.296 40 10 KKCBRL O=S(=O)([O-])c1cccc2c(/N=N/c3ccc(/N=N\c4ccc(Nc5ccccc5)c5c4cccc5S(=O)(=O)[O-])c4ccccc34)cccc21 ZINC000150386581 571469383 /nfs/dbraw/zinc/46/93/83/571469383.db2.gz JWRKFFQQNVQJLW-RTTJNCFHSA-N -2 0 687.759 10.214 40 10 KKCBRL Nc1ccc(N=Nc2ccc(-c3ccc(N=Nc4c(N)c5c(cc4S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C(=NNc4ccccc4)C5=O)cc3)cc2)c(N)c1 ZINC000150386630 571469427 /nfs/dbraw/zinc/46/94/27/571469427.db2.gz ATFARZXNCCWOKJ-QKEHSYEUSA-N -2 0 737.780 8.699 40 10 KKCBRL Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccc(-c3ccc(NN=C4C=CC(=O)C=C4)cc3)cc1)C(S(=O)(=O)[O-])=C2 ZINC000150386560 571469439 /nfs/dbraw/zinc/46/94/39/571469439.db2.gz STOOUUMSJPLRNI-IXGZUIBYSA-N -2 0 768.746 9.148 40 10 KKCBRL O=C1C=Cc2cccc(S(=O)(=O)[O-])c2C1=NNc1ccc(S(=O)(=O)c2ccc(NN=C3C(=O)C=Cc4cccc(S(=O)(=O)[O-])c43)cc2)cc1 ZINC000150387022 571469642 /nfs/dbraw/zinc/46/96/42/571469642.db2.gz XQDXOBGAFYLUDL-SGRXOXICSA-N -2 0 718.747 7.561 40 10 KKCBRL Cc1[n-]n(C(=O)CC(=O)Nc2ccccc2C)c(=O)c1N=Nc1ccc(S(=O)(=O)c2ccc(N=Nc3c(C)[n-]n(C(=O)CC(=O)Nc4ccccc4C)c3=O)cc2)cc1 ZINC000150448533 571501528 /nfs/dbraw/zinc/50/15/28/571501528.db2.gz NMZUPLXHJQOACQ-KPTMEOCISA-N -2 0 816.857 5.588 40 10 KKCBRL O=C([O-])c1cc(NC(=O)CCCCCN2C(=O)/C(=C3\SC(=S)N(CCCCCC(=O)Nc4ccc(O)c(C(=O)[O-])c4)C3=O)SC2=S)ccc1O ZINC000150469486 571508571 /nfs/dbraw/zinc/50/85/71/571508571.db2.gz NNDIVVCLPSVMLN-OCEACIFDSA-N -2 0 760.894 5.124 40 10 KKCBRL O=C(Nc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1)c1ccc(NN=C2C=Cc3c(cccc3S(=O)(=O)[O-])C2=O)cc1 ZINC000150475536 571510671 /nfs/dbraw/zinc/51/06/71/571510671.db2.gz CWIUNTCZDRANSF-NELHQWCOSA-N -2 0 631.648 7.122 40 10 KKCBRL O=C(Nc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1)c1ccc(NN=C2C=Cc3c(cccc3S(=O)(=O)[O-])C2=O)cc1 ZINC000150475539 571510693 /nfs/dbraw/zinc/51/06/93/571510693.db2.gz CWIUNTCZDRANSF-DRCJXRCRSA-N -2 0 631.648 7.122 40 10 KKCBRL CCOc1cc(-c2ccc(NN=C3C(=O)c4cc(N)ccc4C=C3S(=O)(=O)[O-])cc2)ccc1N=Nc1c(O)c2cc(N)ccc2cc1S(=O)(=O)[O-] ZINC000150474853 571510704 /nfs/dbraw/zinc/51/07/04/571510704.db2.gz PTQVNAIKTPZSKK-NGHPONOGSA-N -2 0 728.765 7.959 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(N)cc2)ccc1N=Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccc3cc(S(=O)(=O)[O-])ccc3c1)C2=O ZINC000150475599 571510706 /nfs/dbraw/zinc/51/07/06/571510706.db2.gz SUCVNJJGJQUCBI-NVXIXPEWSA-N -2 0 710.750 8.166 40 10 KKCBRL Nc1cccc(NN=C2C(=O)c3ccc(Nc4ccc5c(c4)C=C(S(=O)(=O)[O-])C(=NNc4cccc(N)c4)C5=O)cc3C=C2S(=O)(=O)[O-])c1 ZINC000150478947 571511614 /nfs/dbraw/zinc/51/16/14/571511614.db2.gz LLKHTJLAXJEXHT-PKJKGCPLSA-N -2 0 699.727 7.636 40 10 KKCBRL Cc1cc(/N=N/c2ccc(NC(=O)c3ccccc3)c3ccc(S(=O)(=O)[O-])cc23)ccc1/N=N/c1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1 ZINC000150485459 571515840 /nfs/dbraw/zinc/51/58/40/571515840.db2.gz AAUIDNOFUYJNFP-QZHOZIARSA-N -2 0 695.735 8.584 40 10 KKCBRL Cc1cc(N=Nc2ccc(Sc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc2)c1N ZINC000150485533 571515946 /nfs/dbraw/zinc/51/59/46/571515946.db2.gz JUBYYWGZHFFWRG-KGIMDKPGSA-N -2 0 786.856 11.623 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(NC(=O)c3ccc(N)cc3)cc2)ccc1N=Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccc3cc(S(=O)(=O)[O-])ccc3c1)C2=O ZINC000150485672 571516045 /nfs/dbraw/zinc/51/60/45/571516045.db2.gz IVIZYDSICQSNIS-MLGMXDONSA-N -2 0 829.873 9.418 40 10 KKCBRL COc1cc(NC(=O)c2ccc(NC(=O)c3ccc(N)cc3)cc2)c(OC)cc1/N=N/c1cc(C)c(/N=N\c2cc3c(cccc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)cc1C ZINC000150485623 571516052 /nfs/dbraw/zinc/51/60/52/571516052.db2.gz VLUCSPTXKDMVQJ-CUMUMXCBSA-N -2 0 837.893 8.885 40 10 KKCBRL CCOc1ccc(N=Nc2ccc(-c3ccc(NN=C4C(=O)C=Cc5cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c54)c(C)c3)cc2C)cc1 ZINC000150552439 571520779 /nfs/dbraw/zinc/52/07/79/571520779.db2.gz UPWKNFZOZGYCQR-GLTNCGNLSA-N -2 0 660.730 8.552 40 10 KKCBRL Nc1ccc(N=Nc2ccc3c(c2)C(=O)C(=NNc2ccc(N=Nc4ccc(N)cc4N)c(S(=O)(=O)[O-])c2)C(S(=O)(=O)[O-])=C3)c(N)c1 ZINC000150578856 571521746 /nfs/dbraw/zinc/52/17/46/571521746.db2.gz ADRMADAIKSWNOR-LFVRBMAESA-N -2 0 676.697 6.614 40 10 KKCBRL Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccc(NN=C3C(=O)c4ccc(NN=C5C=CC(=O)C=C5)cc4C=C3S(=O)(=O)[O-])cc1)C2=O ZINC000150587638 571522052 /nfs/dbraw/zinc/52/20/52/571522052.db2.gz LSFAVYFZVALMBH-TZZRDCEZSA-N -2 0 713.710 8.432 40 10 KKCBRL O=C1C=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccc(N=Nc2ccc(Nc3ccccc3)c(S(=O)(=O)[O-])c2)c2ccccc12 ZINC000150600689 571522532 /nfs/dbraw/zinc/52/25/32/571522532.db2.gz AAOMRJLIQLGUDX-TWQDDVAESA-N -2 0 653.698 8.766 40 10 KKCBRL Nc1ccc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(N=Nc5ccccc5)c5cc(S(=O)(=O)[O-])ccc45)c4cc(S(=O)(=O)[O-])ccc34)c(O)c2c1 ZINC000150653482 571526063 /nfs/dbraw/zinc/52/60/63/571526063.db2.gz FZGYDRMMZZMMDK-CIIDETAZSA-N -3 0 811.836 9.420 40 10 KKCBRL O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4Cl)C3=O)cc2I)cc1 ZINC000150662528 571527849 /nfs/dbraw/zinc/52/78/49/571527849.db2.gz FEHPHKVILOZAKZ-FRKPEAEDSA-N -2 0 763.109 6.146 40 10 KKCBRL Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=Nc1ccc(-c2ccc(NN=C3C=CC(=O)C(C(=O)[O-])=C3)c(C)c2)cc1C ZINC000159543338 571530337 /nfs/dbraw/zinc/53/03/37/571530337.db2.gz MKPMKGJHFHXYGK-GQGLHXSCSA-N -3 0 626.651 6.911 40 10 KKCBRL CC(=O)Nc1ccc(N=Nc2cc3c(O)cc(NC(=O)Nc4ccc5c(c4)C=C(S(=O)(=O)[O-])C(=NNc4ccccc4)C5=O)cc3cc2S(=O)(=O)[O-])cc1 ZINC000159751949 571530623 /nfs/dbraw/zinc/53/06/23/571530623.db2.gz JUZHUDZDLLHLEO-LMXNTIJMSA-N -2 0 769.774 8.331 40 10 KKCBRL CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc(C(=O)[O-])c4)c(OCC)c3)C2=O)c1 ZINC000164330198 571545779 /nfs/dbraw/zinc/54/57/79/571545779.db2.gz LNQJATLDAFESCT-LPYMAVHISA-N -2 0 700.482 5.431 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4F)C3=O)cc2Br)cc1 ZINC000164392111 571547014 /nfs/dbraw/zinc/54/70/14/571547014.db2.gz CVOIPNIKFPDEHB-CXUHLZMHSA-N -2 0 634.277 5.459 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000164466626 571548410 /nfs/dbraw/zinc/54/84/10/571548410.db2.gz PVQKXFBDTTWRRA-RGVLZGJSSA-N -2 0 644.272 5.554 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(NN=C3c4ccc(S(=O)(=O)[O-])cc4C=C(S(=O)(=O)[O-])C3=O)cc2)ccc1N=Nc1ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2c1 ZINC000263604292 572129459 /nfs/dbraw/zinc/12/94/59/572129459.db2.gz OMWGHXKGZNIHAS-UHFFFAOYSA-N -4 0 855.863 7.077 40 10 KKCBRL O=[N+]([O-])c1ccc(/C=C\c2ccc(N=Nc3ccc(/C=C\c4ccc([N+](=O)[O-])cc4S(=O)(=O)[O-])c(S(=O)(=O)[O-])c3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1 ZINC000263609342 572130325 /nfs/dbraw/zinc/13/03/25/572130325.db2.gz UYTCJBFOLUYGBH-SLRGKFQMSA-N -4 0 796.748 5.246 40 10 KKCBRL O=C([O-])c1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C1=O ZINC000408526853 572158908 /nfs/dbraw/zinc/15/89/08/572158908.db2.gz DFXVWRRFIDLDQK-XSFVSMFZSA-N -2 0 564.436 5.194 40 10 KKCBRL COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)C(=O)[O-])o1 ZINC000408631112 572286925 /nfs/dbraw/zinc/28/69/25/572286925.db2.gz CDDZBVPRURUOAF-NHDPSOOVSA-N -2 0 525.970 5.722 40 10 KKCBRL Nc1cc(N)c(/N=N/c2ccc(S(=O)(=O)[O-])cc2)cc1/N=N/c1ccc(-c2ccc(/N=N/c3ccc(C(=O)[O-])c(O)c3)cc2)cc1 ZINC000095669636 1069686474 /nfs/dbraw/zinc/68/64/74/1069686474.db2.gz QJTZKCXFTMUONX-GMHCBVOVSA-N -2 0 636.650 8.415 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408856787 1070067009 /nfs/dbraw/zinc/06/70/09/1070067009.db2.gz LLPKWLFQPYYXTP-CXUHLZMHSA-N -2 0 548.835 5.584 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408934301 1070269114 /nfs/dbraw/zinc/26/91/14/1070269114.db2.gz ACVUOKLGFIFQEQ-YBFXNURJSA-N -2 0 555.370 5.336 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408937144 1070290420 /nfs/dbraw/zinc/29/04/20/1070290420.db2.gz IHMXKYPJHKBHIV-DJKKODMXSA-N -2 0 589.815 5.989 40 10 KKCBRL Cc1cc(C)cc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)c1 ZINC000408937712 1070292211 /nfs/dbraw/zinc/29/22/11/1070292211.db2.gz JOHVNCVZGDTZNA-LPYMAVHISA-N -2 0 549.377 5.010 40 10 KKCBRL Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408945205 1070298965 /nfs/dbraw/zinc/29/89/65/1070298965.db2.gz NDJHMNRXBFVYEE-VXLYETTFSA-N -2 0 556.800 5.183 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408943966 1070305827 /nfs/dbraw/zinc/30/58/27/1070305827.db2.gz SWOZPFTUSGWQGI-RGVLZGJSSA-N -2 0 599.821 5.445 40 10 KKCBRL CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408982547 1070341182 /nfs/dbraw/zinc/34/11/82/1070341182.db2.gz HNWVCUVBVFNWFQ-XKZIYDEJSA-N -2 0 593.430 5.354 40 10 KKCBRL CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(OCC)c3)C2=O)cc1OC ZINC000409138802 1070562933 /nfs/dbraw/zinc/56/29/33/1070562933.db2.gz IEMMZMPGAFHWNF-YDZHTSKRSA-N -2 0 623.058 5.475 40 10 KKCBRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cccc5ccccc54)C3=O)o2)c1 ZINC000409274047 1070714029 /nfs/dbraw/zinc/71/40/29/1070714029.db2.gz UJNWYFNVEJYQRV-YDZHTSKRSA-N -2 0 542.525 5.171 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000408901559 1070918856 /nfs/dbraw/zinc/91/88/56/1070918856.db2.gz YUGFEIVDRMMWOK-SRZZPIQSSA-N -2 0 579.403 5.018 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000408913544 1071017307 /nfs/dbraw/zinc/01/73/07/1071017307.db2.gz LRVBSJBENDUASB-WKULSOCRSA-N -2 0 577.681 6.235 40 10 KKCBRL Nc1c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])ccc2c1N=Nc1ccc(-c2ccc(N=Nc3c(N)c(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])ccc43)c(S(=O)(=O)[O-])c2)cc1 ZINC000263594869 1071153156 /nfs/dbraw/zinc/15/31/56/1071153156.db2.gz CWWJGMXENHLBBV-UHFFFAOYSA-N -5 0 892.906 5.889 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408935118 1071225295 /nfs/dbraw/zinc/22/52/95/1071225295.db2.gz GUAHUAWREUYJOL-RGVLZGJSSA-N -2 0 555.370 5.336 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(NC(=O)Nc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)C=CC1=O ZINC000263606775 1071225519 /nfs/dbraw/zinc/22/55/19/1071225519.db2.gz RGFYLWOAVUGTJI-UHFFFAOYSA-N -2 0 540.492 6.969 40 10 KKCBRL O=S(=O)([O-])c1ccc2cc(N=Nc3ccc(Nc4ccccc4)c4ccccc34)c(S(=O)(=O)[O-])cc2c1 ZINC000299888244 1071228782 /nfs/dbraw/zinc/22/87/82/1071228782.db2.gz BGHIEJHQLIHWPX-UHFFFAOYSA-N -2 0 533.587 6.645 40 10 KKCBRL O=C(Nc1ccc(N=Nc2ccc3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c3c2)cc1)c1ccc(NN=C2C(=O)C=Cc3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c32)cc1 ZINC000263606274 1071324485 /nfs/dbraw/zinc/32/44/85/1071324485.db2.gz QSBZYHOQSALAJT-UHFFFAOYSA-N -4 0 841.836 6.769 40 10 KKCBRL Nc1ccc(N=Nc2ccc(-c3ccc(NN=C4C(=O)c5c(N)c(N=Nc6cccc([N+](=O)[O-])c6)c(S(=O)(=O)[O-])cc5C=C4S(=O)(=O)[O-])cc3)cc2)c(N)c1 ZINC000263595901 1071323432 /nfs/dbraw/zinc/32/34/32/1071323432.db2.gz FCKKYZIBWSPHQZ-UHFFFAOYSA-N -2 0 782.777 8.607 40 10 KKCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(Br)cc3)C2=O)cc1 ZINC000408937740 1071336443 /nfs/dbraw/zinc/33/64/43/1071336443.db2.gz JRXNTXKZKSRBEQ-UDWIEESQSA-N -2 0 600.219 5.155 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408950414 1071357062 /nfs/dbraw/zinc/35/70/62/1071357062.db2.gz JXMBWJBEMLCATH-AUEPDCJTSA-N -2 0 670.500 5.288 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408948863 1071362870 /nfs/dbraw/zinc/36/28/70/1071362870.db2.gz HEMAICVYOATBAU-IPPBACCNSA-N -2 0 746.598 7.101 40 10 KKCBRL CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408984439 1071510091 /nfs/dbraw/zinc/51/00/91/1071510091.db2.gz RAUFZSNGFIADEH-JMIUGGIZSA-N -2 0 660.848 5.595 40 10 KKCBRL CCc1ccccc1N1C(=O)/C(=C/c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C(=O)[N-]C1=S ZINC000408993263 1071566515 /nfs/dbraw/zinc/56/65/15/1071566515.db2.gz CZKKRJARZFUJSJ-YBFXNURJSA-N -2 0 738.341 5.567 40 10 KKCBRL CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)cc1 ZINC000409002580 1071640199 /nfs/dbraw/zinc/64/01/99/1071640199.db2.gz VFVHQCZXCDNRSR-RGVLZGJSSA-N -2 0 738.272 5.238 40 10 KKCBRL Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)c1 ZINC000408776450 1071749371 /nfs/dbraw/zinc/74/93/71/1071749371.db2.gz OGTJZXUKZBNJCF-KEBDBYFISA-N -2 0 583.822 5.663 40 10 KKCBRL O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)c1 ZINC000408772213 1071775084 /nfs/dbraw/zinc/77/50/84/1071775084.db2.gz FILVJQRGIYKLTC-YBFXNURJSA-N -2 0 527.385 5.102 40 10 KKCBRL Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)cc1 ZINC000408780013 1071826692 /nfs/dbraw/zinc/82/66/92/1071826692.db2.gz PTENOLHBJRQQIJ-VXLYETTFSA-N -2 0 569.795 5.355 40 10 KKCBRL Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1Cl ZINC000409066236 1072003120 /nfs/dbraw/zinc/00/31/20/1072003120.db2.gz MKUBQIFQIXBMAW-RGVLZGJSSA-N -2 0 525.344 5.245 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Cl)cc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000409064004 1072018924 /nfs/dbraw/zinc/01/89/24/1072018924.db2.gz FRDOJQZRHZCPPK-CVKSISIWSA-N -2 0 617.441 6.516 40 10 KKCBRL O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000409074426 1072040480 /nfs/dbraw/zinc/04/04/80/1072040480.db2.gz LPZXYAOBHXHESH-LDADJPATSA-N -2 0 555.768 5.046 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409074858 1072065223 /nfs/dbraw/zinc/06/52/23/1072065223.db2.gz NGPRZDGGXGWYJT-CAOOACKPSA-N -2 0 575.788 5.599 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Br)cc1 ZINC000409073274 1072076574 /nfs/dbraw/zinc/07/65/74/1072076574.db2.gz GQYYJHXBZVYINL-AFUMVMLFSA-N -2 0 706.343 6.734 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Cl)cc1 ZINC000409073617 1072074711 /nfs/dbraw/zinc/07/47/11/1072074711.db2.gz QPCUWQOBCOQTQC-FRKPEAEDSA-N -2 0 580.207 6.244 40 10 KKCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409071899 1072085339 /nfs/dbraw/zinc/08/53/39/1072085339.db2.gz QLGOEMLVUWAMMP-KEBDBYFISA-N -2 0 569.397 5.644 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409071778 1072086508 /nfs/dbraw/zinc/08/65/08/1072086508.db2.gz IECMKASVNXPCOT-VXLYETTFSA-N -2 0 645.216 5.063 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Br)cc1 ZINC000409082228 1072215513 /nfs/dbraw/zinc/21/55/13/1072215513.db2.gz RMWMLDJNUOHJAY-QGMBQPNBSA-N -2 0 645.216 5.063 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409386327 1072687652 /nfs/dbraw/zinc/68/76/52/1072687652.db2.gz PNTWGTJIESICJU-XDHOZWIPSA-N -2 0 584.517 5.326 40 10 KKCBRL CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409401732 1072779396 /nfs/dbraw/zinc/77/93/96/1072779396.db2.gz ZGXOXTCICPAHRT-UNOMPAQXSA-N -2 0 616.262 5.349 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000409234880 1073047411 /nfs/dbraw/zinc/04/74/11/1073047411.db2.gz ACUBPCAWVVZRNJ-OEAKJJBVSA-N -2 0 501.608 5.055 40 10 KKCBRL O=C1c2c(cc(S(=O)(=O)[O-])cc2N=Nc2c(O)ccc3ccccc32)C=C(S(=O)(=O)[O-])C1=NNc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC000004416141 552459537 /nfs/dbraw/zinc/45/95/37/552459537.db2.gz WQWKYALNLSYERE-XVUBHQJVSA-N -3 0 708.708 7.128 40 10 KKCBRL Nc1ccc2c(O)c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c(S(=O)(=O)[O-])cc2c1 ZINC000004523159 552462882 /nfs/dbraw/zinc/46/28/82/552462882.db2.gz WGIIJSJDWAQMMF-JQRDNDPDSA-N -2 0 527.540 5.452 40 10 KKCBRL Nc1ccc(/N=N/c2ccc(/C=C\c3ccc(/N=N/c4ccc(N)c5ccccc45)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)c2ccccc12 ZINC000095100246 553698204 /nfs/dbraw/zinc/69/82/04/553698204.db2.gz BEOHKTZPLVXCFG-XKBYFGDLSA-N -2 0 678.752 8.652 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(N=Nc4c(N)c5c(cc4S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C(=NNc4ccccc4)C5=O)cc3)cc2)c(N)cc1N ZINC000095100248 553698263 /nfs/dbraw/zinc/69/82/63/553698263.db2.gz BKBDZNUWZUWXOC-AUVAVNHBSA-N -2 0 751.807 9.007 40 10 KKCBRL COc1cc2c(c(O)c1OC/C=C(\C)CC/C=C(/C)CCC=C(C)C)CN([C@@H](CCC(=O)[O-])C(=O)[O-])C2=O ZINC000031161403 553861235 /nfs/dbraw/zinc/86/12/35/553861235.db2.gz XVPVYSHSGBUSAR-WBQLKESASA-N -2 0 529.630 5.473 40 10 biogenic,in-vitro KKCBRL O=C1c2ccccc2C(S(=O)(=O)[O-])=CC1=NNc1ccc(C=Cc2ccc(NN=C3C=C(S(=O)(=O)[O-])c4ccccc4C3=O)cc2)cc1 ZINC000033352882 553922560 /nfs/dbraw/zinc/92/25/60/553922560.db2.gz PKVSEPIQEUYPDR-MYDSBXAYSA-N -2 0 680.720 8.899 40 10 KKCBRL Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000100249246 554261976 /nfs/dbraw/zinc/26/19/76/554261976.db2.gz UOLWZIMYQRYRMN-OCKHKDLRSA-N -2 0 558.841 5.040 40 10 KKCBRL COc1cc(-c2ccc(/N=N/c3cc(S(=O)(=O)[O-])c4ccccc4c3N)c(OC)c2)ccc1/N=N/c1cc(S(=O)(=O)[O-])c2ccccc2c1N ZINC000049780777 554325991 /nfs/dbraw/zinc/32/59/91/554325991.db2.gz DZXPRYUVRGUYGO-HVMBLDELSA-N -2 0 712.766 8.166 40 10 KKCBRL O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc(Cl)c([O-])c(Br)c1 ZINC000059198199 554384711 /nfs/dbraw/zinc/38/47/11/554384711.db2.gz LFOCPTWWSTWQRZ-VZUCSPMQSA-N -2 0 500.530 5.077 40 10 KKCBRL Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000100962756 554542771 /nfs/dbraw/zinc/54/27/71/554542771.db2.gz ZMEOCYXCICBVHC-ZMFRSBBQSA-N -2 0 601.501 5.783 40 10 KKCBRL O=C1C=CC(=NNc2ccc(C=Cc3ccc(NN=C4C=CC(=O)C(O)=C4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)C=C1O ZINC000101510076 554792276 /nfs/dbraw/zinc/79/22/76/554792276.db2.gz VRBLWSNMXXFIDO-ZFFYKNBQSA-N -2 0 612.598 6.004 40 10 KKCBRL O=C1C=Cc2ccccc2C1=NNC1=CC(S(=O)(=O)[O-])=CC(=NNc2c(O)ccc3cc(S(=O)(=O)[O-])ccc32)C1=O ZINC000102312540 554910076 /nfs/dbraw/zinc/91/00/76/554910076.db2.gz UNQKGOZAZKPDEY-QAVVBOBSSA-N -2 0 594.583 6.434 40 10 KKCBRL Nc1c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])ccc2c1/N=N/c1ccc(-c2ccc(/N=N/c3c(N)c(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])ccc43)c(S(=O)(=O)[O-])c2)cc1 ZINC000169289634 562851744 /nfs/dbraw/zinc/85/17/44/562851744.db2.gz CWWJGMXENHLBBV-ATXIYDNESA-N -5 0 892.906 5.889 40 10 KKCBRL O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2Br)cc1 ZINC000103849534 571364080 /nfs/dbraw/zinc/36/40/80/571364080.db2.gz ZSPKNXKLGFXLAM-GIJQJNRQSA-N -2 0 573.758 5.185 40 10 KKCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000103867169 571368074 /nfs/dbraw/zinc/36/80/74/571368074.db2.gz UISGDVXRQYYOAE-IPPBACCNSA-N -2 0 607.663 5.625 40 10 KKCBRL Nc1ccc(N=Nc2ccc(C(=O)[O-])cc2)c(N)c1N=Nc1ccc(NN=C2C=CC(=O)C(C(=O)[O-])=C2)cc1 ZINC000104050438 571371797 /nfs/dbraw/zinc/37/17/97/571371797.db2.gz LDRNQVKKBYGPER-SBPTYLIASA-N -2 0 524.497 7.199 40 10 KKCBRL Cc1cc(NN=C2C=CC(=O)C=C2C)ccc1N=Nc1ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2c1 ZINC000104050127 571371835 /nfs/dbraw/zinc/37/18/35/571371835.db2.gz GZGHOPOPGVNNFQ-PJHYJGMCSA-N -2 0 540.579 6.486 40 10 KKCBRL Cc1ccccc1N=Nc1ccc(NN=C2C(=O)C=Cc3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c32)c(C)c1 ZINC000104221659 571377179 /nfs/dbraw/zinc/37/71/79/571377179.db2.gz MGOSORQIYUOFSQ-FNBANUKLSA-N -2 0 540.579 6.486 40 10 KKCBRL Cc1cc(N=Nc2ccc(N=Nc3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)c(S(=O)(=O)[O-])c2C)c(N)cc1N ZINC000104367257 571379638 /nfs/dbraw/zinc/37/96/38/571379638.db2.gz VWFBJVZMOBJQJL-UNRHADLTSA-N -2 0 588.606 7.365 40 10 KKCBRL Nc1ccc2c(O)c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c(S(=O)(=O)[O-])cc2c1 ZINC000104367043 571379703 /nfs/dbraw/zinc/37/97/03/571379703.db2.gz WGIIJSJDWAQMMF-DYORGOFNSA-N -2 0 527.540 5.452 40 10 KKCBRL COc1cc(N=Nc2ccc(S(=O)(=O)[O-])cc2)ccc1NN=C1C=Cc2c(cccc2S(=O)(=O)[O-])C1=O ZINC000104389056 571379916 /nfs/dbraw/zinc/37/99/16/571379916.db2.gz KSZLXLWAIZSTTP-OUYNTLDRSA-N -2 0 542.551 5.878 40 10 KKCBRL O=C1c2c(cc(S(=O)(=O)[O-])cc2N=Nc2c(O)ccc3ccccc32)C=C(S(=O)(=O)[O-])C1=NNc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC000150342616 571458743 /nfs/dbraw/zinc/45/87/43/571458743.db2.gz WQWKYALNLSYERE-ZXJVALLTSA-N -3 0 708.708 7.128 40 10 KKCBRL CCOC(=O)c1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(-c2ccc(N=Nc3c(=O)n(-c4ccccc4)[n-]c3C(=O)OCC)c(Cl)c2)cc1Cl ZINC000150344758 571459466 /nfs/dbraw/zinc/45/94/66/571459466.db2.gz PLYDMIIYRWUYBP-ICZZQPJFSA-N -2 0 739.576 7.497 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(-c3ccc(NN=c4ccc(=O)c(=NNc5ccc(S(=O)(=O)[O-])cc5)c4=O)cc3)cc2)C=CC1=O ZINC000150366641 571464786 /nfs/dbraw/zinc/46/47/86/571464786.db2.gz MFKIBHRWIGTPSD-JKRFJTGCSA-N -2 0 638.618 8.662 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2cccc(OCC(=O)[O-])c2)c1N ZINC000150366723 571464845 /nfs/dbraw/zinc/46/48/45/571464845.db2.gz GNCDAYFWWYGONF-GGZLGEBUSA-N -2 0 644.648 8.940 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2cc(C(=O)[O-])ccc2Cl)c1N ZINC000150366701 571464867 /nfs/dbraw/zinc/46/48/67/571464867.db2.gz QSDHGAQCFZXFPR-QJSTZAKQSA-N -2 0 649.067 9.828 40 10 KKCBRL Cc1cc(N=Nc2ccc(NC(=O)c3ccc(N)cc3)cc2C)ccc1N=Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc(S(=O)(=O)[O-])cc1)c2O ZINC000150367714 571465093 /nfs/dbraw/zinc/46/50/93/571465093.db2.gz WWCSCPADJCGIHC-KXOINIEASA-N -2 0 778.829 9.736 40 10 KKCBRL CC(=O)Nc1cc(/N=N\c2ccc(/N=N/c3ccc(NC(=O)c4ccc(N)cc4)cc3C)cc2C)c(S(=O)(=O)[O-])cc1/N=N\c1ccc(S(=O)(=O)[O-])cc1 ZINC000150367681 571465107 /nfs/dbraw/zinc/46/51/07/571465107.db2.gz MNQHYHFMPBGDLT-MPBCMDNXSA-N -2 0 769.822 8.836 40 10 KKCBRL Cc1cc(N=Nc2ccc(C(N)=O)cc2)c(N)c(N=Nc2ccc(NN=C3C=C(C(=O)[O-])C(=O)C(S(=O)(=O)[O-])=C3)c(C)c2)c1N ZINC000150367918 571465196 /nfs/dbraw/zinc/46/51/96/571465196.db2.gz POMOQOVZVRKHAM-DHGRRHCLSA-N -2 0 631.631 6.463 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(N)cc2)ccc1/N=N\c1ccc(/N=N/c2ccc3c(O)cc(S(=O)(=O)[O-])cc3c2)c2cc(S(=O)(=O)[O-])ccc12 ZINC000150368124 571465207 /nfs/dbraw/zinc/46/52/07/571465207.db2.gz MGEUYNUIICICAX-NVXIXPEWSA-N -3 0 710.750 8.166 40 10 KKCBRL CC(=O)Nc1cc(/N=N\c2ccc(NC(=O)c3ccc(N)cc3)cc2C)c(S(=O)(=O)[O-])cc1/N=N\c1ccc(/N=N\c2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000150367939 571465215 /nfs/dbraw/zinc/46/52/15/571465215.db2.gz VLTOAILMNHIVPM-CXBQYLCDSA-N -2 0 755.795 8.528 40 10 KKCBRL COc1cc(/N=N\c2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])c(C)cc1/N=N/c1cc(OC)c(/N=N\c2ccc(NC(=O)c3ccc(N)cc3)cc2C)cc1C ZINC000150367955 571465221 /nfs/dbraw/zinc/46/52/21/571465221.db2.gz FIUUHSFSIWXQLE-KAPOERRGSA-N -2 0 786.849 9.203 40 10 KKCBRL Nc1c(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)cc(S(=O)(=O)[O-])c(N)c1N=Nc1ccc(-c2ccccc2)cc1 ZINC000150368206 571465265 /nfs/dbraw/zinc/46/52/65/571465265.db2.gz AHIZLDBCPUKJPV-CFUBKFOFSA-N -2 0 712.748 10.082 40 10 KKCBRL O=C([O-])C1=CC(=NNc2ccc(-c3ccc(NN=C4C(=O)c5ccc(Nc6ccccc6)cc5C=C4S(=O)(=O)[O-])cc3)cc2)C=CC1=O ZINC000150368149 571465285 /nfs/dbraw/zinc/46/52/85/571465285.db2.gz RZAHKAAVHNDUQR-NVXIXPEWSA-N -2 0 659.680 9.437 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C(=O)c5c(N)c(N=Nc6cc(Cl)ccc6Cl)c(S(=O)(=O)[O-])cc5C=C4S(=O)(=O)[O-])cc3)cc2)c(N)cc1N ZINC000150368161 571465314 /nfs/dbraw/zinc/46/53/14/571465314.db2.gz FIXQRTWLTDSZRN-KYZOMHAJSA-N -2 0 820.697 10.314 40 10 KKCBRL Cc1ccc(Nc2ccc(/N=N/c3ccc(/N=N\c4cccc(S(=O)(=O)[O-])c4)c4ccccc34)c3cccc(S(=O)(=O)[O-])c23)cc1 ZINC000150384348 571468221 /nfs/dbraw/zinc/46/82/21/571468221.db2.gz JLGHRHTZYNYXMD-HSXOZYESSA-N -2 0 651.726 9.369 40 10 KKCBRL COc1cc(-c2ccc(NN=C3C=C(S(=O)(=O)[O-])c4ccccc4C3=O)c(OC)c2)ccc1NN=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O ZINC000150386758 571469529 /nfs/dbraw/zinc/46/95/29/571469529.db2.gz HHIMHPSTBORQAB-JXPYRENWSA-N -2 0 714.734 8.413 40 10 KKCBRL O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(-c4ccc(Oc5ccc(N6C(=O)c7ccc(C(=O)[O-])cc7C6=O)cc5)cc4)cc3)cc1)C2=O ZINC000150408476 571480917 /nfs/dbraw/zinc/48/09/17/571480917.db2.gz ILGBCMOOBWGWNO-UHFFFAOYSA-N -2 0 716.658 7.936 40 10 KKCBRL O=C(Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccccc1)C2=O)Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccccc1)C2=O ZINC000150454420 571503962 /nfs/dbraw/zinc/50/39/62/571503962.db2.gz XKNUVBQTZXGYHL-PKJKGCPLSA-N -2 0 712.722 8.372 40 10 KKCBRL O=C(Nc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1)c1ccc(NN=C2C=Cc3c(cccc3S(=O)(=O)[O-])C2=O)cc1 ZINC000150475541 571510722 /nfs/dbraw/zinc/51/07/22/571510722.db2.gz CWIUNTCZDRANSF-QUVVFHLXSA-N -2 0 631.648 7.122 40 10 KKCBRL CCOc1ccc(N=Nc2ccc(-c3ccc(NN=C4C(=O)C=Cc5cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c54)cc3)cc2)cc1 ZINC000150476880 571511010 /nfs/dbraw/zinc/51/10/10/571511010.db2.gz WFDQLHCSKAIOER-NELHQWCOSA-N -2 0 632.676 7.935 40 10 KKCBRL Nc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)C=C(S(=O)(=O)[O-])C(=NNc3ccc(N=Nc5ccc(S(=O)(=O)[O-])cc5)cc3)C4=O)c2)cc1 ZINC000150477025 571511241 /nfs/dbraw/zinc/51/12/41/571511241.db2.gz OLMUVGULQUUYMK-IDQBSGSVSA-N -2 0 765.786 7.956 40 10 KKCBRL Nc1ccc(N=Nc2ccc(N=Nc3ccc(NN=C4C=C(S(=O)(=O)[O-])c5ccccc5C4=O)c4ccc(S(=O)(=O)[O-])cc34)c3ccc(S(=O)(=O)[O-])cc23)cc1 ZINC000150477008 571511323 /nfs/dbraw/zinc/51/13/23/571511323.db2.gz UVICFDGLFOZKOQ-CXBQYLCDSA-N -3 0 811.836 9.420 40 10 KKCBRL Cc1cc(-c2ccc(NN=C3C(=O)c4c(N)cc(S(=O)(=O)[O-])cc4C=C3S(=O)(=O)[O-])c(C)c2)ccc1NN=C1C=Cc2c(S(=O)(=O)[O-])ccc(N)c2C1=O ZINC000150478978 571511676 /nfs/dbraw/zinc/51/16/76/571511676.db2.gz AICLBRRCLVJTST-NGHPONOGSA-N -3 0 792.830 7.423 40 10 KKCBRL Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(NN=C3C=CC(=C4C=CC(=O)C=C4)C=C3)c(O)c12 ZINC000150485100 571515588 /nfs/dbraw/zinc/51/55/88/571515588.db2.gz RGYWIKUGSVUCPT-RRPBDJRISA-N -2 0 664.634 6.733 40 10 KKCBRL Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)c(N)c(N=Nc2ccc(CC(=O)[O-])cc2)c1N ZINC000150485179 571515787 /nfs/dbraw/zinc/51/57/87/571515787.db2.gz FTZFOSODKHQRNT-PNLJEYLRSA-N -2 0 628.649 9.104 40 10 KKCBRL Cc1cc(NC(=O)c2ccc(NC(=O)c3ccc(N)cc3)cc2)c(C)cc1/N=N/c1ccc(/N=N\c2ccc3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c3c2)c(C)c1 ZINC000150485609 571516063 /nfs/dbraw/zinc/51/60/63/571516063.db2.gz XKRCRPCTAHBBQE-XFBDKGKHSA-N -2 0 791.868 9.176 40 10 KKCBRL COc1cc(-c2ccc(NN=C3C=C(S(=O)(=O)[O-])c4ccccc4C3=O)c(OC)c2)ccc1N=Nc1c(O)c2cc(O)c(C(=O)[O-])cc2cc1S(=O)(=O)[O-] ZINC000150570500 571521299 /nfs/dbraw/zinc/52/12/99/571521299.db2.gz ISDJYMKMTCNNEJ-WVCCOWEBSA-N -3 0 774.742 7.816 40 10 KKCBRL Cc1cc(-c2cc(C)c(NN=C3C(=O)C=Cc4ccccc43)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])cc1NN=C1C(=O)C=Cc2ccccc21 ZINC000150622437 571523478 /nfs/dbraw/zinc/52/34/78/571523478.db2.gz FXFZHRKQNSIMHN-JXPYRENWSA-N -2 0 682.736 9.012 40 10 KKCBRL Cc1cc(-c2cc(C)c(NN=C3C(=O)C=Cc4ccccc43)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])cc1NN=C1C(=O)C=Cc2ccccc21 ZINC000150622440 571523554 /nfs/dbraw/zinc/52/35/54/571523554.db2.gz FXFZHRKQNSIMHN-LYERXDRPSA-N -2 0 682.736 9.012 40 10 KKCBRL Nc1ccc2c(O)c(N=Nc3ccc(N=Nc4ccc(N=Nc5ccccc5)c5cc(S(=O)(=O)[O-])ccc45)c4cc(S(=O)(=O)[O-])ccc34)c(S(=O)(=O)[O-])cc2c1 ZINC000150629770 571524009 /nfs/dbraw/zinc/52/40/09/571524009.db2.gz LBAISCBMCNRAKF-ZWCCUXJCSA-N -3 0 811.836 9.420 40 10 KKCBRL CC1=NN(c2ccc(-c3nc4ccc(C)c(S(=O)(=O)[O-])c4s3)cc2)[C@H](O)[C@@H]1/N=N\c1ccc(NC(=O)c2cccc(N)c2)cc1S(=O)(=O)[O-] ZINC000150637982 571524486 /nfs/dbraw/zinc/52/44/86/571524486.db2.gz HHWVPWRGKWZSML-XUXJDCAUSA-N -2 0 721.799 5.266 40 10 KKCBRL O=C1C=CC(=NNc2ccc([C@@H](c3ccc(NN=C4C(=O)C=Cc5cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c54)cc3)C3CCCCC3)cc2)C=C1 ZINC000150643629 571524868 /nfs/dbraw/zinc/52/48/68/571524868.db2.gz IRYHBCRRNRAQKP-BQZMRHJWSA-N -2 0 700.795 9.287 40 10 KKCBRL Nc1ccc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(N=Nc5ccccc5)c5cc(S(=O)(=O)[O-])ccc45)c4cc(S(=O)(=O)[O-])ccc34)c(O)c2c1 ZINC000150653480 571526003 /nfs/dbraw/zinc/52/60/03/571526003.db2.gz FZGYDRMMZZMMDK-ZWCCUXJCSA-N -3 0 811.836 9.420 40 10 KKCBRL CC(=O)C(=NNc1ccc(-c2ccc(NN=C3C(=O)C=Cc4cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c43)cc2C)c(C)c1)C(=O)Nc1ccccc1 ZINC000159752360 571530628 /nfs/dbraw/zinc/53/06/28/571530628.db2.gz ULDQAJBXYMETCK-AQKVSDTNSA-N -2 0 715.766 8.250 40 10 KKCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000164339303 571546074 /nfs/dbraw/zinc/54/60/74/571546074.db2.gz YBTQZCWBSPNDJR-XODNFHPESA-N -2 0 732.571 6.711 40 10 KKCBRL O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2I)cc1 ZINC000164457260 571548165 /nfs/dbraw/zinc/54/81/65/571548165.db2.gz DZNIVMFATGJQBV-GIJQJNRQSA-N -2 0 773.115 5.602 40 10 KKCBRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4Br)C3=O)o2)c1 ZINC000215103641 571583054 /nfs/dbraw/zinc/58/30/54/571583054.db2.gz WXPJOEVLQIRLHC-VXLYETTFSA-N -2 0 528.336 5.342 40 10 KKCBRL CCOc1cc(N=Nc2cc(Cl)c(S(=O)(=O)[O-])cc2Cl)c2cc(S(=O)(=O)[O-])ccc2c1N=Nc1c(O)c2ccc(NC(=O)c3ccc(N)cc3)cc2cc1S(=O)(=O)[O-] ZINC000263596179 572127791 /nfs/dbraw/zinc/12/77/91/572127791.db2.gz FJESSIPNOBLNOQ-UHFFFAOYSA-N -3 0 889.730 8.810 40 10 KKCBRL COc1cc(-c2ccc(N=NC3=C(S(=O)(=O)[O-])C=C4C=C(S(=O)(=O)[O-])C(=NNc5ccc([N+](=O)[O-])cc5)C(N)=C4C3=O)c(OC)c2)ccc1N=Nc1ccc(N)cc1C ZINC000263598960 572128265 /nfs/dbraw/zinc/12/82/65/572128265.db2.gz IKYBKEJRNZLEMJ-UHFFFAOYSA-N -2 0 841.841 9.350 40 10 KKCBRL O=C(Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccccc1)C2=O)Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccccc1)C2=O ZINC000263611734 572130535 /nfs/dbraw/zinc/13/05/35/572130535.db2.gz XKNUVBQTZXGYHL-UHFFFAOYSA-N -2 0 712.722 8.372 40 10 KKCBRL O=C([O-])c1ccc(N=Nc2c(O)c3ccc(NC(=O)Nc4ccc5c(c4)C=C(S(=O)(=O)[O-])C(=NNc4ccccc4)C5=O)cc3cc2S(=O)(=O)[O-])cc1 ZINC000299888728 572142219 /nfs/dbraw/zinc/14/22/19/572142219.db2.gz VJHZFJOJOFPVJJ-UHFFFAOYSA-N -3 0 756.731 8.071 40 10 KKCBRL COc1ccc(Cl)cc1-c1nc(SC(=Cc2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C(=O)[O-])n[nH]1 ZINC000408632536 572289035 /nfs/dbraw/zinc/28/90/35/572289035.db2.gz RAXPAXMNIJVEOU-NHDPSOOVSA-N -2 0 524.986 5.457 40 10 KKCBRL