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ZINC000436753813 1070006406 /nfs/dbraw/zinc/00/64/06/1070006406.db2.gz VZDUSVLTFIOCDX-UHFFFAOYSA-N -1 0 405.498 -0.250 20 0 HBADRM CS(=O)(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2[O-])CC1 ZINC000436761525 1070005385 /nfs/dbraw/zinc/00/53/85/1070005385.db2.gz KUPQZJYUBNCXKA-UHFFFAOYSA-N -1 0 417.509 -0.106 20 0 HBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436762114 1070005598 /nfs/dbraw/zinc/00/55/98/1070005598.db2.gz QOJGVFRHNAMFSY-CYBMUJFWSA-N -1 0 412.468 -0.891 20 0 HBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436762115 1070005306 /nfs/dbraw/zinc/00/53/06/1070005306.db2.gz QOJGVFRHNAMFSY-ZDUSSCGKSA-N -1 0 412.468 -0.891 20 0 HBADRM CCS(=O)(=O)NCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000436767040 1070007945 /nfs/dbraw/zinc/00/79/45/1070007945.db2.gz FRWNKZLZRYGTTQ-UHFFFAOYSA-N -1 0 405.498 -0.154 20 0 HBADRM CN(C)C(=O)CN1CCC(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])CC1 ZINC000436772582 1070007013 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WMOWOXBPPQHQPB-LLVKDONJSA-N -1 0 405.498 -0.204 20 0 HBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436784268 1070007855 /nfs/dbraw/zinc/00/78/55/1070007855.db2.gz WMOWOXBPPQHQPB-NSHDSACASA-N -1 0 405.498 -0.204 20 0 HBADRM C[C@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])CCN1S(C)(=O)=O ZINC000436794571 1070008660 /nfs/dbraw/zinc/00/86/60/1070008660.db2.gz CDDVUAZTJFTQNQ-NSHDSACASA-N -1 0 405.498 -0.252 20 0 HBADRM COC(=O)c1cn(C2CN(C(=O)c3cc(S(=O)(=O)N(C)C)ccc3[O-])C2)nn1 ZINC000436794607 1070008382 /nfs/dbraw/zinc/00/83/82/1070008382.db2.gz VUDIGFPQQYYYMH-UHFFFAOYSA-N -1 0 409.424 -0.282 20 0 HBADRM COC(=O)CCN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])C1=O ZINC000436795991 1070008347 /nfs/dbraw/zinc/00/83/47/1070008347.db2.gz HPOYGEQRODHEPQ-CYBMUJFWSA-N -1 0 413.452 -0.464 20 0 HBADRM COC(=O)CCN1CC[C@H](NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])C1=O ZINC000436796014 1070008732 /nfs/dbraw/zinc/00/87/32/1070008732.db2.gz HPOYGEQRODHEPQ-ZDUSSCGKSA-N -1 0 413.452 -0.464 20 0 HBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])C1 ZINC000436796796 1070008644 /nfs/dbraw/zinc/00/86/44/1070008644.db2.gz KZGQZIBPERPIQD-GFCCVEGCSA-N -1 0 405.498 -0.204 20 0 HBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])C1 ZINC000436796799 1070008481 /nfs/dbraw/zinc/00/84/81/1070008481.db2.gz KZGQZIBPERPIQD-LBPRGKRZSA-N -1 0 405.498 -0.204 20 0 HBADRM COC(=O)[C@H]1CNC(=O)CN1C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000436805971 1070009336 /nfs/dbraw/zinc/00/93/36/1070009336.db2.gz GPZFWQBRUWOVJX-CYBMUJFWSA-N -1 0 411.436 -0.710 20 0 HBADRM COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000436805979 1070009042 /nfs/dbraw/zinc/00/90/42/1070009042.db2.gz GPZFWQBRUWOVJX-ZDUSSCGKSA-N -1 0 411.436 -0.710 20 0 HBADRM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436820337 1070010891 /nfs/dbraw/zinc/01/08/91/1070010891.db2.gz HANZEMBMVZDFHF-GHMZBOCLSA-N -1 0 415.468 -0.171 20 0 HBADRM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436820338 1070010530 /nfs/dbraw/zinc/01/05/30/1070010530.db2.gz HANZEMBMVZDFHF-MNOVXSKESA-N -1 0 415.468 -0.171 20 0 HBADRM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436820339 1070010670 /nfs/dbraw/zinc/01/06/70/1070010670.db2.gz HANZEMBMVZDFHF-QWRGUYRKSA-N -1 0 415.468 -0.171 20 0 HBADRM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436820340 1070010871 /nfs/dbraw/zinc/01/08/71/1070010871.db2.gz HANZEMBMVZDFHF-WDEREUQCSA-N -1 0 415.468 -0.171 20 0 HBADRM COC(=O)CC[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])C(=O)OC ZINC000436827662 1070009947 /nfs/dbraw/zinc/00/99/47/1070009947.db2.gz FGYQFWAPYOAPGM-LBPRGKRZSA-N -1 0 402.425 -0.133 20 0 HBADRM CS(=O)(=O)N1CC(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2[O-])C1 ZINC000436841774 1070011577 /nfs/dbraw/zinc/01/15/77/1070011577.db2.gz VAPVAKQJCLTPMQ-UHFFFAOYSA-N -1 0 417.509 -0.202 20 0 HBADRM C[C@@H](O)C(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2[O-])CC1 ZINC000436843012 1070011484 /nfs/dbraw/zinc/01/14/84/1070011484.db2.gz ZUTMQYVCFURYAB-CYBMUJFWSA-N -1 0 411.480 -0.158 20 0 HBADRM C[C@H](O)C(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2[O-])CC1 ZINC000436843013 1070011192 /nfs/dbraw/zinc/01/11/92/1070011192.db2.gz ZUTMQYVCFURYAB-ZDUSSCGKSA-N -1 0 411.480 -0.158 20 0 HBADRM O=C(c1cc(S(=O)(=O)N2CCCC2)ccc1[O-])N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000436870532 1070013587 /nfs/dbraw/zinc/01/35/87/1070013587.db2.gz MJUZZDAIVTZTAG-CYBMUJFWSA-N -1 0 408.436 -0.447 20 0 HBADRM O=C(c1cc(S(=O)(=O)N2CCCC2)ccc1[O-])N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000436870541 1070013744 /nfs/dbraw/zinc/01/37/44/1070013744.db2.gz MJUZZDAIVTZTAG-ZDUSSCGKSA-N -1 0 408.436 -0.447 20 0 HBADRM CC(C)NS(=O)(=O)NCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436875498 1070014328 /nfs/dbraw/zinc/01/43/28/1070014328.db2.gz DPKXHRFBVVQQCB-UHFFFAOYSA-N -1 0 408.502 -0.795 20 0 HBADRM O=C(NC[C@H]1CC[C@@H](CO)O1)c1cccc(C(=O)NC[C@H]2CC[C@@H](CO)O2)c1[O-] ZINC000436882658 1070014827 /nfs/dbraw/zinc/01/48/27/1070014827.db2.gz UJMIKTCMQWPKAC-KBXIAJHMSA-N -1 0 408.451 -0.068 20 0 HBADRM CNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2[O-])CC1 ZINC000436921759 1070017084 /nfs/dbraw/zinc/01/70/84/1070017084.db2.gz USFITQCUABAFGP-UHFFFAOYSA-N -1 0 410.496 -0.320 20 0 HBADRM NS(=O)(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2[O-])CC1 ZINC000436923614 1070016845 /nfs/dbraw/zinc/01/68/45/1070016845.db2.gz CXCMDHGFTFQBKR-UHFFFAOYSA-N -1 0 418.497 -0.862 20 0 HBADRM O=C(NCCN1CCCS1(=O)=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000436925140 1070016817 /nfs/dbraw/zinc/01/68/17/1070016817.db2.gz GCIIARVEBYQYIH-UHFFFAOYSA-N -1 0 417.509 -0.058 20 0 HBADRM COC(=O)CN(CC(=O)OC)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000436925924 1070016946 /nfs/dbraw/zinc/01/69/46/1070016946.db2.gz KGEWUXUQNSTKTA-UHFFFAOYSA-N -1 0 414.436 -0.035 20 0 HBADRM O=C(NCCCN1C(=O)CNC1=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000436927044 1070017818 /nfs/dbraw/zinc/01/78/18/1070017818.db2.gz NXCDEYXXFGRBPO-UHFFFAOYSA-N -1 0 410.452 -0.152 20 0 HBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2[O-])C1 ZINC000436929452 1070017463 /nfs/dbraw/zinc/01/74/63/1070017463.db2.gz ZFZWLUYDMPMQMT-GFCCVEGCSA-N -1 0 417.509 -0.060 20 0 HBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2[O-])C1 ZINC000436929456 1070017747 /nfs/dbraw/zinc/01/77/47/1070017747.db2.gz ZFZWLUYDMPMQMT-LBPRGKRZSA-N -1 0 417.509 -0.060 20 0 HBADRM NC(=O)CCn1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2[O-])n1 ZINC000436929526 1070017721 /nfs/dbraw/zinc/01/77/21/1070017721.db2.gz VQXLSTFXLJUSAA-UHFFFAOYSA-N -1 0 407.452 0.501 20 0 HBADRM NC(=O)c1cn(C2CN(C(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3[O-])C2)nn1 ZINC000436938990 1070018521 /nfs/dbraw/zinc/01/85/21/1070018521.db2.gz XFHRDIYWISKYII-UHFFFAOYSA-N -1 0 420.451 -0.436 20 0 HBADRM NS(=O)(=O)CCCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000437000047 1070023830 /nfs/dbraw/zinc/02/38/30/1070023830.db2.gz KSKSGJONRMCSQC-UHFFFAOYSA-N -1 0 405.498 -0.025 20 0 HBADRM COc1cccc(-c2nc(=NC(=O)C(=O)N(C)CC(=O)N3CCOCC3)s[n-]2)c1 ZINC000437144911 1070034393 /nfs/dbraw/zinc/03/43/93/1070034393.db2.gz KWLWGFNNXQMHNO-UHFFFAOYSA-N -1 0 419.463 -0.109 20 0 HBADRM O=C(c1ccccn1)N1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000437199751 1070038521 /nfs/dbraw/zinc/03/85/21/1070038521.db2.gz DTTQCTNGSWULSH-UHFFFAOYSA-N -1 0 416.419 -0.022 20 0 HBADRM O=c1nc2[nH]cc(S(=O)(=O)NCCS(=O)(=O)NCC3CCC3)cc-2c(=O)[n-]1 ZINC000437201882 1070038382 /nfs/dbraw/zinc/03/83/82/1070038382.db2.gz LRPPRHFVGAFVIO-UHFFFAOYSA-N -1 0 417.469 -0.566 20 0 HBADRM CCS(=O)(=O)N(C)CCCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000437206537 1070038233 /nfs/dbraw/zinc/03/82/33/1070038233.db2.gz DXPVMGHVEVXVQT-UHFFFAOYSA-N -1 0 405.458 -0.614 20 0 HBADRM Cc1noc(CN2CCN(S(=O)(=O)c3c[nH]c4nc(=O)[n-]c(=O)c-4c3)CC2)n1 ZINC000437207175 1070038358 /nfs/dbraw/zinc/03/83/58/1070038358.db2.gz 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HBADRM COCCNS(=O)(=O)c1cccc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])c1 ZINC000510282477 1068331121 /nfs/dbraw/zinc/33/11/21/1068331121.db2.gz QVKQULSPFITUKA-LBPRGKRZSA-N -1 0 415.468 -0.337 20 0 HBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000510284613 1068335531 /nfs/dbraw/zinc/33/55/31/1068335531.db2.gz WKASIRDVMQKGED-CMPLNLGQSA-N -1 0 411.488 -0.066 20 0 HBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000510284614 1068335554 /nfs/dbraw/zinc/33/55/54/1068335554.db2.gz WKASIRDVMQKGED-JQWIXIFHSA-N -1 0 411.488 -0.066 20 0 HBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000510284615 1068335197 /nfs/dbraw/zinc/33/51/97/1068335197.db2.gz WKASIRDVMQKGED-PWSUYJOCSA-N -1 0 411.488 -0.066 20 0 HBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000510284616 1068335321 /nfs/dbraw/zinc/33/53/21/1068335321.db2.gz WKASIRDVMQKGED-ZYHUDNBSSA-N -1 0 411.488 -0.066 20 0 HBADRM COc1c(F)cc(CC(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])cc1S(N)(=O)=O ZINC000510291401 1068337991 /nfs/dbraw/zinc/33/79/91/1068337991.db2.gz DMYUYMZPVLVFPB-SECBINFHSA-N -1 0 419.431 -0.538 20 0 HBADRM COc1c(F)cc(CC(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])cc1S(N)(=O)=O ZINC000510291402 1068338126 /nfs/dbraw/zinc/33/81/26/1068338126.db2.gz DMYUYMZPVLVFPB-VIFPVBQESA-N -1 0 419.431 -0.538 20 0 HBADRM CC(=O)NCCN(C(=O)CCNS(=O)(=O)c1ccccc1F)[C@H](C)C(=O)[O-] ZINC000510291715 1068338071 /nfs/dbraw/zinc/33/80/71/1068338071.db2.gz FTYUYSHTFQRGFA-LLVKDONJSA-N -1 0 403.432 -0.068 20 0 HBADRM CC(=O)NCCN(C(=O)CCNS(=O)(=O)c1ccccc1F)[C@@H](C)C(=O)[O-] ZINC000510291716 1068337946 /nfs/dbraw/zinc/33/79/46/1068337946.db2.gz FTYUYSHTFQRGFA-NSHDSACASA-N -1 0 403.432 -0.068 20 0 HBADRM CC(=O)NCCN(C(=O)Cn1cc(Br)c(=O)[nH]c1=O)[C@H](C)C(=O)[O-] ZINC000510292277 1068338023 /nfs/dbraw/zinc/33/80/23/1068338023.db2.gz IZNYEOOLQJVTKN-SSDOTTSWSA-N -1 0 405.205 -0.851 20 0 HBADRM CC(=O)NCCN(C(=O)Cn1cc(Br)c(=O)[nH]c1=O)[C@@H](C)C(=O)[O-] ZINC000510292282 1068338873 /nfs/dbraw/zinc/33/88/73/1068338873.db2.gz IZNYEOOLQJVTKN-ZETCQYMHSA-N -1 0 405.205 -0.851 20 0 HBADRM CC(=O)NCCN(C(=O)c1ccc(CCNS(C)(=O)=O)s1)[C@@H](C)C(=O)[O-] ZINC000510292379 1068338653 /nfs/dbraw/zinc/33/86/53/1068338653.db2.gz JSDZGNOFVSJEOK-JTQLQIEISA-N -1 0 405.498 -0.109 20 0 HBADRM CC(=O)NCCN(C(=O)c1ccc(CCNS(C)(=O)=O)s1)[C@H](C)C(=O)[O-] ZINC000510292380 1068338632 /nfs/dbraw/zinc/33/86/32/1068338632.db2.gz JSDZGNOFVSJEOK-SNVBAGLBSA-N -1 0 405.498 -0.109 20 0 HBADRM CC(=O)NCCN(C(=O)C1CCN(c2ccc3nncn3n2)CC1)[C@H](C)C(=O)[O-] ZINC000510292959 1068338859 /nfs/dbraw/zinc/33/88/59/1068338859.db2.gz NJXDTPIFRIABEQ-GFCCVEGCSA-N -1 0 403.443 -0.222 20 0 HBADRM CC(=O)NCCN(C(=O)C1CCN(c2ccc3nncn3n2)CC1)[C@@H](C)C(=O)[O-] ZINC000510292960 1068338673 /nfs/dbraw/zinc/33/86/73/1068338673.db2.gz NJXDTPIFRIABEQ-LBPRGKRZSA-N -1 0 403.443 -0.222 20 0 HBADRM O=C([O-])CNC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000510293309 1068339129 /nfs/dbraw/zinc/33/91/29/1068339129.db2.gz APCKJSMTGOIKAU-UHFFFAOYSA-N -1 0 420.285 -0.044 20 0 HBADRM CC(=O)NCCN(C(=O)CNS(=O)(=O)c1ccc2c(c1)COC2)[C@H](C)C(=O)[O-] ZINC000510293503 1068339260 /nfs/dbraw/zinc/33/92/60/1068339260.db2.gz BYZPJAPQLMJKOQ-LLVKDONJSA-N -1 0 413.452 -0.567 20 0 HBADRM CC(=O)NCCN(C(=O)CNS(=O)(=O)c1ccc2c(c1)COC2)[C@@H](C)C(=O)[O-] ZINC000510293504 1068339236 /nfs/dbraw/zinc/33/92/36/1068339236.db2.gz BYZPJAPQLMJKOQ-NSHDSACASA-N -1 0 413.452 -0.567 20 0 HBADRM CC(=O)NCCN(C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)[C@@H](C)C(=O)[O-] ZINC000510293729 1068339223 /nfs/dbraw/zinc/33/92/23/1068339223.db2.gz AXLXNYUJHNBKGZ-AWEZNQCLSA-N -1 0 416.434 -0.504 20 0 HBADRM CC(=O)NCCN(C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)[C@H](C)C(=O)[O-] ZINC000510293730 1068339175 /nfs/dbraw/zinc/33/91/75/1068339175.db2.gz AXLXNYUJHNBKGZ-CQSZACIVSA-N -1 0 416.434 -0.504 20 0 HBADRM COc1ccc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])cc1S(=O)(=O)N(C)C ZINC000510294192 1068339383 /nfs/dbraw/zinc/33/93/83/1068339383.db2.gz CYTCGGLEHKGBFN-LLVKDONJSA-N -1 0 415.468 -0.003 20 0 HBADRM COc1ccc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])cc1S(=O)(=O)N(C)C ZINC000510294197 1068339142 /nfs/dbraw/zinc/33/91/42/1068339142.db2.gz CYTCGGLEHKGBFN-NSHDSACASA-N -1 0 415.468 -0.003 20 0 HBADRM CC(=O)NCCN(C(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C)[C@H](C)C(=O)[O-] ZINC000510297429 1068340727 /nfs/dbraw/zinc/34/07/27/1068340727.db2.gz VIRQNYJKQHYBII-CMPLNLGQSA-N -1 0 417.488 -0.858 20 0 HBADRM CC(=O)NCCN(C(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C)[C@@H](C)C(=O)[O-] ZINC000510297430 1068340804 /nfs/dbraw/zinc/34/08/04/1068340804.db2.gz VIRQNYJKQHYBII-JQWIXIFHSA-N -1 0 417.488 -0.858 20 0 HBADRM CC(=O)NCCN(C(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C)[C@@H](C)C(=O)[O-] ZINC000510297431 1068340527 /nfs/dbraw/zinc/34/05/27/1068340527.db2.gz VIRQNYJKQHYBII-PWSUYJOCSA-N -1 0 417.488 -0.858 20 0 HBADRM CC(=O)NCCN(C(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C)[C@H](C)C(=O)[O-] ZINC000510297432 1068340607 /nfs/dbraw/zinc/34/06/07/1068340607.db2.gz VIRQNYJKQHYBII-ZYHUDNBSSA-N -1 0 417.488 -0.858 20 0 HBADRM COCCNS(=O)(=O)c1ccc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])cc1 ZINC000510300918 1068343459 /nfs/dbraw/zinc/34/34/59/1068343459.db2.gz YQRHYNGPIJLZQC-GFCCVEGCSA-N -1 0 415.468 -0.337 20 0 HBADRM COCCNS(=O)(=O)c1ccc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])cc1 ZINC000510300919 1068343747 /nfs/dbraw/zinc/34/37/47/1068343747.db2.gz YQRHYNGPIJLZQC-LBPRGKRZSA-N -1 0 415.468 -0.337 20 0 HBADRM CC(=O)NCCN(C(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12)[C@H](C)C(=O)[O-] ZINC000510307929 1068358168 /nfs/dbraw/zinc/35/81/68/1068358168.db2.gz OWOLSGAGOUTMFH-SECBINFHSA-N -1 0 422.423 -0.851 20 0 HBADRM CC(=O)NCCN(C(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12)[C@@H](C)C(=O)[O-] ZINC000510307933 1068358101 /nfs/dbraw/zinc/35/81/01/1068358101.db2.gz OWOLSGAGOUTMFH-VIFPVBQESA-N -1 0 422.423 -0.851 20 0 HBADRM CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])cnc21 ZINC000510312117 1068362718 /nfs/dbraw/zinc/36/27/18/1068362718.db2.gz BELFPOAFBOQAPS-JTQLQIEISA-N -1 0 405.411 -0.042 20 0 HBADRM CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])cnc21 ZINC000510312118 1068362489 /nfs/dbraw/zinc/36/24/89/1068362489.db2.gz BELFPOAFBOQAPS-SNVBAGLBSA-N -1 0 405.411 -0.042 20 0 HBADRM CC(=O)NCCN(C(=O)[C@@H](C)NS(=O)(=O)c1c(C)noc1C)[C@H](C)C(=O)[O-] ZINC000510312184 1068361671 /nfs/dbraw/zinc/36/16/71/1068361671.db2.gz HJQCJSCSTNGECS-NXEZZACHSA-N -1 0 404.445 -0.604 20 0 HBADRM CC(=O)NCCN(C(=O)[C@H](C)NS(=O)(=O)c1c(C)noc1C)[C@@H](C)C(=O)[O-] ZINC000510312185 1068361928 /nfs/dbraw/zinc/36/19/28/1068361928.db2.gz HJQCJSCSTNGECS-UWVGGRQHSA-N -1 0 404.445 -0.604 20 0 HBADRM CC(=O)NCCN(C(=O)[C@H](C)NS(=O)(=O)c1c(C)noc1C)[C@H](C)C(=O)[O-] ZINC000510312186 1068362079 /nfs/dbraw/zinc/36/20/79/1068362079.db2.gz HJQCJSCSTNGECS-VHSXEESVSA-N -1 0 404.445 -0.604 20 0 HBADRM CC(=O)NCCN(C(=O)[C@@H](C)NS(=O)(=O)c1c(C)noc1C)[C@@H](C)C(=O)[O-] ZINC000510312187 1068361744 /nfs/dbraw/zinc/36/17/44/1068361744.db2.gz HJQCJSCSTNGECS-ZJUUUORDSA-N -1 0 404.445 -0.604 20 0 HBADRM CC(=O)NCCN(C(=O)CNC(=O)c1cnc2ccccc2c1O)[C@H](C)C(=O)[O-] ZINC000510312261 1068362434 /nfs/dbraw/zinc/36/24/34/1068362434.db2.gz BUWMUOSSIRLYKW-LLVKDONJSA-N -1 0 402.407 -0.304 20 0 HBADRM CC(=O)NCCN(C(=O)CNC(=O)c1cnc2ccccc2c1O)[C@@H](C)C(=O)[O-] ZINC000510312262 1068362566 /nfs/dbraw/zinc/36/25/66/1068362566.db2.gz BUWMUOSSIRLYKW-NSHDSACASA-N -1 0 402.407 -0.304 20 0 HBADRM CC(=O)NCCN(C(=O)c1ccc2c(c1)CCN2C(=O)CNC(C)=O)[C@H](C)C(=O)[O-] ZINC000510312467 1068364744 /nfs/dbraw/zinc/36/47/44/1068364744.db2.gz JQASRTVFVSINTR-GFCCVEGCSA-N -1 0 418.450 -0.237 20 0 HBADRM CC(=O)NCCN(C(=O)c1ccc2c(c1)CCN2C(=O)CNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000510312471 1068364404 /nfs/dbraw/zinc/36/44/04/1068364404.db2.gz JQASRTVFVSINTR-LBPRGKRZSA-N -1 0 418.450 -0.237 20 0 HBADRM CC(=O)NCCN(C(=O)CCNS(=O)(=O)c1ccc(F)cc1)[C@H](C)C(=O)[O-] ZINC000510314696 1068367295 /nfs/dbraw/zinc/36/72/95/1068367295.db2.gz VZQKYBUIAYICMJ-LLVKDONJSA-N -1 0 403.432 -0.068 20 0 HBADRM CC(=O)NCCN(C(=O)CCNS(=O)(=O)c1ccc(F)cc1)[C@@H](C)C(=O)[O-] ZINC000510314697 1068367478 /nfs/dbraw/zinc/36/74/78/1068367478.db2.gz VZQKYBUIAYICMJ-NSHDSACASA-N -1 0 403.432 -0.068 20 0 HBADRM CNS(=O)(=O)c1cc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])ccc1OC ZINC000510315098 1068367613 /nfs/dbraw/zinc/36/76/13/1068367613.db2.gz YLYNTNPPOBEIAU-JTQLQIEISA-N -1 0 401.441 -0.345 20 0 HBADRM CNS(=O)(=O)c1cc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])ccc1OC ZINC000510315099 1068367348 /nfs/dbraw/zinc/36/73/48/1068367348.db2.gz YLYNTNPPOBEIAU-SNVBAGLBSA-N -1 0 401.441 -0.345 20 0 HBADRM CC(=O)NCCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)[C@H](C)C(=O)[O-] ZINC000510325901 1068397165 /nfs/dbraw/zinc/39/71/65/1068397165.db2.gz VJIMWOHWUOIZSP-LLVKDONJSA-N -1 0 416.456 -0.913 20 0 HBADRM CC(=O)NCCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)[C@@H](C)C(=O)[O-] ZINC000510325913 1068397018 /nfs/dbraw/zinc/39/70/18/1068397018.db2.gz VJIMWOHWUOIZSP-NSHDSACASA-N -1 0 416.456 -0.913 20 0 HBADRM CN(C)S(=O)(=O)C[C@@H]([N-]S(=O)(=O)CCCN1CCOCC1)C(F)(F)F ZINC000510461232 1068516698 /nfs/dbraw/zinc/51/66/98/1068516698.db2.gz PGDXUXRNLNZBRU-LLVKDONJSA-N -1 0 411.468 -0.550 20 0 HBADRM CN(C)S(=O)(=O)C[C@H]([N-]S(=O)(=O)CCCN1CCOCC1)C(F)(F)F ZINC000510461235 1068516648 /nfs/dbraw/zinc/51/66/48/1068516648.db2.gz PGDXUXRNLNZBRU-NSHDSACASA-N -1 0 411.468 -0.550 20 0 HBADRM CN(C)S(=O)(=O)C[C@@H]([N-]S(=O)(=O)CCCS(C)(=O)=O)C(F)(F)F ZINC000510464468 1068522302 /nfs/dbraw/zinc/52/23/02/1068522302.db2.gz ZJELKPBTAMUXKZ-MRVPVSSYSA-N -1 0 404.454 -0.837 20 0 HBADRM CN(C)S(=O)(=O)C[C@H]([N-]S(=O)(=O)CCCS(C)(=O)=O)C(F)(F)F ZINC000510464477 1068522424 /nfs/dbraw/zinc/52/24/24/1068522424.db2.gz ZJELKPBTAMUXKZ-QMMMGPOBSA-N -1 0 404.454 -0.837 20 0 HBADRM Cn1cc([N-]S(=O)(=O)c2ccsc2C(=O)NCCCNS(C)(=O)=O)cn1 ZINC000510781149 1068570668 /nfs/dbraw/zinc/57/06/68/1068570668.db2.gz ICBOEAQNPZKQLH-UHFFFAOYSA-N -1 0 421.526 -0.049 20 0 HBADRM CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)N1CC(=O)N(CCOC)C1 ZINC000510807420 1068571936 /nfs/dbraw/zinc/57/19/36/1068571936.db2.gz UCOKEFCMLDADRS-UHFFFAOYSA-N -1 0 421.497 -0.106 20 0 HBADRM COc1cc(C(=O)NCCN2CCNC(=O)C2)cc([N-]S(C)(=O)=O)c1OC ZINC000510904077 1068579830 /nfs/dbraw/zinc/57/98/30/1068579830.db2.gz WEHRVALIWTUVBN-UHFFFAOYSA-N -1 0 400.457 -0.763 20 0 HBADRM Cn1cc([N-]S(=O)(=O)c2ccsc2C(=O)NCCN2CCNC(=O)C2)cn1 ZINC000510910813 1068580222 /nfs/dbraw/zinc/58/02/22/1068580222.db2.gz GVNRKWIZSVMNPC-UHFFFAOYSA-N -1 0 412.497 -0.556 20 0 HBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000510981966 1068591887 /nfs/dbraw/zinc/59/18/87/1068591887.db2.gz CBWOWVDEVPLHLQ-UHFFFAOYSA-N -1 0 409.406 -0.073 20 0 HBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CCN(CC(F)(F)F)C(=O)C3)cc-2c(=O)[n-]1 ZINC000511044067 1068640916 /nfs/dbraw/zinc/64/09/16/1068640916.db2.gz KBQMQPWJNJVFSW-UHFFFAOYSA-N -1 0 407.330 -0.169 20 0 HBADRM O=c1nc2[nH]cc(S(=O)(=O)NC[C@H](N3CCOCC3)C(F)(F)F)cc-2c(=O)[n-]1 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ZINC000547640058 1068226246 /nfs/dbraw/zinc/22/62/46/1068226246.db2.gz MEXUHTUPDRDREM-CMPLNLGQSA-N -1 0 401.441 -0.835 20 0 HBADRM Cn1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC3(CCC3)C2)c(=O)n(C)c1=O ZINC000547640059 1068226433 /nfs/dbraw/zinc/22/64/33/1068226433.db2.gz MEXUHTUPDRDREM-JQWIXIFHSA-N -1 0 401.441 -0.835 20 0 HBADRM Cn1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC3(CCC3)C2)c(=O)n(C)c1=O ZINC000547640060 1068226179 /nfs/dbraw/zinc/22/61/79/1068226179.db2.gz MEXUHTUPDRDREM-PWSUYJOCSA-N -1 0 401.441 -0.835 20 0 HBADRM Cn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC3(CCC3)C2)c(=O)n(C)c1=O ZINC000547640061 1068226401 /nfs/dbraw/zinc/22/64/01/1068226401.db2.gz MEXUHTUPDRDREM-ZYHUDNBSSA-N -1 0 401.441 -0.835 20 0 HBADRM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)CCO)cc2)c1 ZINC000547822660 1068307568 /nfs/dbraw/zinc/30/75/68/1068307568.db2.gz VNSYCUIFFSMNFV-UHFFFAOYSA-N -1 0 420.490 -0.099 20 0 HBADRM Cn1c(=O)n(C)c2cc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])c(Br)cc21 ZINC000547866444 1068321454 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CLTITYBCNPLDTI-OAHLLOKOSA-N -1 0 408.436 -0.144 20 0 HBADRM COC(=O)c1cc(Br)ccc1S(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC000547871063 1068322123 /nfs/dbraw/zinc/32/21/23/1068322123.db2.gz YCMPQQZAOVCOBR-UHFFFAOYSA-N -1 0 409.214 -0.285 20 0 HBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000547871094 1068322088 /nfs/dbraw/zinc/32/20/88/1068322088.db2.gz AQOWBPVTCAQLOZ-UHFFFAOYSA-N -1 0 422.213 -0.741 20 0 HBADRM CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)s1 ZINC000547871223 1068321971 /nfs/dbraw/zinc/32/19/71/1068321971.db2.gz LHQXAOYJJMAKTI-KCJUWKMLSA-N -1 0 400.500 -0.658 20 0 HBADRM NC(=O)CC[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1)C(=O)[O-] ZINC000547873005 1068323738 /nfs/dbraw/zinc/32/37/38/1068323738.db2.gz PYBHQXVRJJNVMS-LLVKDONJSA-N -1 0 419.481 -0.532 20 0 HBADRM Cn1c(=O)n(C)c2cc(S(=O)(=O)N[C@H](CO)C(=O)[O-])c(Br)cc21 ZINC000547873071 1068322364 /nfs/dbraw/zinc/32/23/64/1068322364.db2.gz VIMMJRLYSUPTDA-SSDOTTSWSA-N -1 0 408.230 -0.637 20 0 HBADRM 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O=C([O-])[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)[C@@H]1CCOC1 ZINC000547873743 1068322612 /nfs/dbraw/zinc/32/26/12/1068322612.db2.gz WSCYAQIEVZEFNN-YGRLFVJLSA-N -1 0 404.466 -0.105 20 0 HBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NC[C@H](Cc3ccccn3)C(=O)[O-])cnc21 ZINC000547874108 1068322844 /nfs/dbraw/zinc/32/28/44/1068322844.db2.gz OFNSTLNSEYNSMJ-JTQLQIEISA-N -1 0 419.419 -0.349 20 0 HBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NC[C@@H](Cc3ccccn3)C(=O)[O-])cnc21 ZINC000547874109 1068323083 /nfs/dbraw/zinc/32/30/83/1068323083.db2.gz OFNSTLNSEYNSMJ-SNVBAGLBSA-N -1 0 419.419 -0.349 20 0 HBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(=O)[O-] ZINC000547874145 1068323190 /nfs/dbraw/zinc/32/31/90/1068323190.db2.gz PKLFBTASFGRJJO-ZDUSSCGKSA-N -1 0 400.409 -0.546 20 0 HBADRM COCCN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000547874722 1068323694 /nfs/dbraw/zinc/32/36/94/1068323694.db2.gz LIHIEPSCERRJKH-UHFFFAOYSA-N -1 0 421.497 -0.486 20 0 HBADRM NC(=O)CC[C@@H](NS(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1)C(=O)[O-] ZINC000547875472 1068323206 /nfs/dbraw/zinc/32/32/06/1068323206.db2.gz KPTUMBGEBOBDNX-GFCCVEGCSA-N -1 0 403.844 -0.198 20 0 HBADRM O=C([O-])[C@H](CCO)NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000547875922 1068323152 /nfs/dbraw/zinc/32/31/52/1068323152.db2.gz HWUGIGBKBASPSX-JTQLQIEISA-N -1 0 420.387 -0.359 20 0 HBADRM Cc1nn(C)c(C)c1[C@@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000547875951 1068323138 /nfs/dbraw/zinc/32/31/38/1068323138.db2.gz FYTCLRNVNFXHSU-CYBMUJFWSA-N -1 0 402.454 -0.211 20 0 HBADRM Cc1nn(C)c(C)c1[C@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000547875952 1068323219 /nfs/dbraw/zinc/32/32/19/1068323219.db2.gz FYTCLRNVNFXHSU-ZDUSSCGKSA-N -1 0 402.454 -0.211 20 0 HBADRM Cn1c(=O)n(C)c2cc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])c(Br)cc21 ZINC000547876233 1068322910 /nfs/dbraw/zinc/32/29/10/1068322910.db2.gz KGXDACGMDNJQRB-QMMMGPOBSA-N -1 0 422.257 -0.247 20 0 HBADRM Cn1cc(S(=O)(=O)N[C@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])cc1C(N)=O ZINC000547876379 1068323175 /nfs/dbraw/zinc/32/31/75/1068323175.db2.gz LJBNXPCFVJVNCN-MRVPVSSYSA-N -1 0 409.346 -0.229 20 0 HBADRM Cn1cc(S(=O)(=O)N[C@@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])cc1C(N)=O ZINC000547876393 1068323121 /nfs/dbraw/zinc/32/31/21/1068323121.db2.gz LJBNXPCFVJVNCN-QMMMGPOBSA-N -1 0 409.346 -0.229 20 0 HBADRM Cc1cc(C)n(C[C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C(=O)[O-])n1 ZINC000547876395 1068322894 /nfs/dbraw/zinc/32/28/94/1068322894.db2.gz LLWVYBZUJIJWGI-CYBMUJFWSA-N -1 0 407.408 -0.539 20 0 HBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1)C(=O)[O-] ZINC000547876396 1068322930 /nfs/dbraw/zinc/32/29/30/1068322930.db2.gz AUIRFWQSPNIYRW-LBPRGKRZSA-N -1 0 406.438 -0.479 20 0 HBADRM Cc1cc(C)n(C[C@H](NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C(=O)[O-])n1 ZINC000547876398 1068322876 /nfs/dbraw/zinc/32/28/76/1068322876.db2.gz LLWVYBZUJIJWGI-ZDUSSCGKSA-N -1 0 407.408 -0.539 20 0 HBADRM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2)c1 ZINC000547876845 1068323034 /nfs/dbraw/zinc/32/30/34/1068323034.db2.gz GOFSVHYWBSIVRB-CYBMUJFWSA-N -1 0 402.454 -0.225 20 0 HBADRM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2)c1 ZINC000547876846 1068323487 /nfs/dbraw/zinc/32/34/87/1068323487.db2.gz GOFSVHYWBSIVRB-ZDUSSCGKSA-N -1 0 402.454 -0.225 20 0 HBADRM O=C([O-])[C@H](CCO)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000547877041 1068324398 /nfs/dbraw/zinc/32/43/98/1068324398.db2.gz JHSIIHZGNPFVOB-AWEZNQCLSA-N -1 0 406.482 -0.025 20 0 HBADRM NC(=O)C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1)C(=O)[O-] ZINC000547877390 1068324257 /nfs/dbraw/zinc/32/42/57/1068324257.db2.gz NODLALCCAHNSHF-SNVBAGLBSA-N -1 0 405.454 -0.922 20 0 HBADRM Cn1cc([C@H](NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C(=O)[O-])cn1 ZINC000547877790 1068323669 /nfs/dbraw/zinc/32/36/69/1068323669.db2.gz RFCKOMLVCCLHJE-AWEZNQCLSA-N -1 0 414.465 -0.035 20 0 HBADRM Cn1cc([C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C(=O)[O-])cn1 ZINC000547877791 1068323431 /nfs/dbraw/zinc/32/34/31/1068323431.db2.gz RFCKOMLVCCLHJE-CQSZACIVSA-N -1 0 414.465 -0.035 20 0 HBADRM COC(=O)CC[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)C(=O)[O-] ZINC000547878418 1068324246 /nfs/dbraw/zinc/32/42/46/1068324246.db2.gz KUELOOPEJVSSBX-ZDUSSCGKSA-N -1 0 420.465 -0.188 20 0 HBADRM O=C([O-])[C@@H](C[C@@H]1CCOC1)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000547878552 1068324277 /nfs/dbraw/zinc/32/42/77/1068324277.db2.gz ROMIVTWMEVNEOO-GXTWGEPZSA-N -1 0 406.482 -0.236 20 0 HBADRM O=C([O-])[C@H](C[C@@H]1CCOC1)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000547878553 1068324122 /nfs/dbraw/zinc/32/41/22/1068324122.db2.gz ROMIVTWMEVNEOO-JSGCOSHPSA-N -1 0 406.482 -0.236 20 0 HBADRM O=C([O-])[C@H](C[C@H]1CCOC1)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000547878554 1068324103 /nfs/dbraw/zinc/32/41/03/1068324103.db2.gz ROMIVTWMEVNEOO-OCCSQVGLSA-N -1 0 406.482 -0.236 20 0 HBADRM O=C([O-])[C@@H](C[C@H]1CCOC1)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000547878555 1068324285 /nfs/dbraw/zinc/32/42/85/1068324285.db2.gz ROMIVTWMEVNEOO-TZMCWYRMSA-N -1 0 406.482 -0.236 20 0 HBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000547878772 1068324158 /nfs/dbraw/zinc/32/41/58/1068324158.db2.gz BVJFGPBFQNUYDT-CYBMUJFWSA-N -1 0 402.454 -0.697 20 0 HBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000547878773 1068324341 /nfs/dbraw/zinc/32/43/41/1068324341.db2.gz BVJFGPBFQNUYDT-ZDUSSCGKSA-N -1 0 402.454 -0.697 20 0 HBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)[O-] ZINC000547879173 1068324215 /nfs/dbraw/zinc/32/42/15/1068324215.db2.gz IFRCIPHBFJYQCX-LBPRGKRZSA-N -1 0 406.438 -0.578 20 0 HBADRM Cc1nn(C)c(C)c1[C@@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000547879814 1068324231 /nfs/dbraw/zinc/32/42/31/1068324231.db2.gz IBSVRQTTYTVWLR-CYBMUJFWSA-N -1 0 402.454 -0.211 20 0 HBADRM Cc1nn(C)c(C)c1[C@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000547879815 1068324304 /nfs/dbraw/zinc/32/43/04/1068324304.db2.gz IBSVRQTTYTVWLR-ZDUSSCGKSA-N -1 0 402.454 -0.211 20 0 HBADRM Cn1cc([C@@H](NS(=O)(=O)CCNS(=O)(=O)c2ccccc2)C(=O)[O-])cn1 ZINC000547879830 1068324294 /nfs/dbraw/zinc/32/42/94/1068324294.db2.gz YDMJCAAAVQDHQV-CYBMUJFWSA-N -1 0 402.454 -0.556 20 0 HBADRM Cn1cc([C@H](NS(=O)(=O)CCNS(=O)(=O)c2ccccc2)C(=O)[O-])cn1 ZINC000547879839 1068324385 /nfs/dbraw/zinc/32/43/85/1068324385.db2.gz YDMJCAAAVQDHQV-ZDUSSCGKSA-N -1 0 402.454 -0.556 20 0 HBADRM Cc1nc(CCCNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)sc1C(=O)[O-] ZINC000547879999 1068323598 /nfs/dbraw/zinc/32/35/98/1068323598.db2.gz OSLMKHVKQVJLNS-UHFFFAOYSA-N -1 0 402.454 -0.542 20 0 HBADRM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])cc1 ZINC000547880589 1068324026 /nfs/dbraw/zinc/32/40/26/1068324026.db2.gz RVHWLQGTKGATCC-CYBMUJFWSA-N -1 0 402.454 -0.366 20 0 HBADRM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cc1 ZINC000547880590 1068323931 /nfs/dbraw/zinc/32/39/31/1068323931.db2.gz RVHWLQGTKGATCC-ZDUSSCGKSA-N -1 0 402.454 -0.366 20 0 HBADRM COc1ccccc1-n1cc(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)[O-])cn1 ZINC000547880843 1068323546 /nfs/dbraw/zinc/32/35/46/1068323546.db2.gz DUKFYBCKFPMGQW-AWEZNQCLSA-N -1 0 410.452 -0.055 20 0 HBADRM COc1ccccc1-n1cc(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)[O-])cn1 ZINC000547880844 1068323711 /nfs/dbraw/zinc/32/37/11/1068323711.db2.gz DUKFYBCKFPMGQW-CQSZACIVSA-N -1 0 410.452 -0.055 20 0 HBADRM CN(C)c1ccc(NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)c(C(=O)[O-])c1 ZINC000547881189 1068323335 /nfs/dbraw/zinc/32/33/35/1068323335.db2.gz GXYJXUKJRYLPNQ-UHFFFAOYSA-N -1 0 406.486 -0.315 20 0 HBADRM CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])s1 ZINC000547881247 1068323754 /nfs/dbraw/zinc/32/37/54/1068323754.db2.gz KUBARWAFFNBEOD-JTQLQIEISA-N -1 0 400.500 -0.656 20 0 HBADRM COc1cccc([C@@H](NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C(=O)[O-])c1 ZINC000547881320 1068323580 /nfs/dbraw/zinc/32/35/80/1068323580.db2.gz BEEZEACYEWHOGW-CYBMUJFWSA-N -1 0 407.470 -0.768 20 0 HBADRM COc1cccc([C@H](NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C(=O)[O-])c1 ZINC000547881321 1068323411 /nfs/dbraw/zinc/32/34/11/1068323411.db2.gz BEEZEACYEWHOGW-ZDUSSCGKSA-N -1 0 407.470 -0.768 20 0 HBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc(OC)c(C(=O)OC)c1OC)C(=O)[O-] ZINC000547881614 1068323720 /nfs/dbraw/zinc/32/37/20/1068323720.db2.gz JOCFIHURHNRQLG-QMMMGPOBSA-N -1 0 405.381 -0.215 20 0 HBADRM NC(=O)C[C@@H](NS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2)C(=O)[O-] ZINC000547881883 1068323466 /nfs/dbraw/zinc/32/34/66/1068323466.db2.gz KMJGWZSOTYFCJP-SECBINFHSA-N -1 0 420.241 -0.059 20 0 HBADRM COc1cc(NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)c(C(=O)[O-])cc1OC ZINC000547885431 1068325079 /nfs/dbraw/zinc/32/50/79/1068325079.db2.gz LUDACMAPVUIKID-UHFFFAOYSA-N -1 0 423.469 -0.364 20 0 HBADRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)C1 ZINC000547887478 1068324741 /nfs/dbraw/zinc/32/47/41/1068324741.db2.gz TYIUCKNBNSXYTA-SSDOTTSWSA-N -1 0 403.800 -0.014 20 0 HBADRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)C1 ZINC000547887487 1068324836 /nfs/dbraw/zinc/32/48/36/1068324836.db2.gz TYIUCKNBNSXYTA-ZETCQYMHSA-N -1 0 403.800 -0.014 20 0 HBADRM CS(=O)(=O)N1CCN(S(=O)(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)CC1 ZINC000547888769 1068324671 /nfs/dbraw/zinc/32/46/71/1068324671.db2.gz BHTWGYKLHVJPRG-CYBMUJFWSA-N -1 0 405.454 -0.839 20 0 HBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NC[C@@H](Cc3cccnc3)C(=O)[O-])cnc21 ZINC000547888770 1068324688 /nfs/dbraw/zinc/32/46/88/1068324688.db2.gz LUUVAOAFWKEOEH-LLVKDONJSA-N -1 0 419.419 -0.349 20 0 HBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NC[C@H](Cc3cccnc3)C(=O)[O-])cnc21 ZINC000547888773 1068324631 /nfs/dbraw/zinc/32/46/31/1068324631.db2.gz LUUVAOAFWKEOEH-NSHDSACASA-N -1 0 419.419 -0.349 20 0 HBADRM CS(=O)(=O)N1CCN(S(=O)(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)CC1 ZINC000547888788 1068324819 /nfs/dbraw/zinc/32/48/19/1068324819.db2.gz BHTWGYKLHVJPRG-ZDUSSCGKSA-N -1 0 405.454 -0.839 20 0 HBADRM COC(=O)CCOc1ccc(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000547889406 1068324849 /nfs/dbraw/zinc/32/48/49/1068324849.db2.gz HRSAOBJGUBRBEE-GFCCVEGCSA-N -1 0 414.436 -0.160 20 0 HBADRM COC(=O)CCOc1ccc(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000547889407 1068324587 /nfs/dbraw/zinc/32/45/87/1068324587.db2.gz HRSAOBJGUBRBEE-LBPRGKRZSA-N -1 0 414.436 -0.160 20 0 HBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H](CCC(=O)[O-])CN2CCOCC2)C1 ZINC000547890907 1068324607 /nfs/dbraw/zinc/32/46/07/1068324607.db2.gz JAPHLWHBLDELQW-CABCVRRESA-N -1 0 421.516 -0.339 20 0 HBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@@H](CCC(=O)[O-])CN2CCOCC2)C1 ZINC000547890908 1068324863 /nfs/dbraw/zinc/32/48/63/1068324863.db2.gz JAPHLWHBLDELQW-GJZGRUSLSA-N -1 0 421.516 -0.339 20 0 HBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@H](CCC(=O)[O-])CN2CCOCC2)C1 ZINC000547890909 1068324774 /nfs/dbraw/zinc/32/47/74/1068324774.db2.gz JAPHLWHBLDELQW-HUUCEWRRSA-N -1 0 421.516 -0.339 20 0 HBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@H](CCC(=O)[O-])CN2CCOCC2)C1 ZINC000547890910 1068324759 /nfs/dbraw/zinc/32/47/59/1068324759.db2.gz JAPHLWHBLDELQW-LSDHHAIUSA-N -1 0 421.516 -0.339 20 0 HBADRM COC(=O)[C@H](C)CS(=O)(=O)NCCNC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000547891222 1068324706 /nfs/dbraw/zinc/32/47/06/1068324706.db2.gz RTZRKISMVLIHDT-LLVKDONJSA-N -1 0 401.441 -0.088 20 0 HBADRM COC(=O)[C@@H](C)CS(=O)(=O)NCCNC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000547891223 1068324884 /nfs/dbraw/zinc/32/48/84/1068324884.db2.gz RTZRKISMVLIHDT-NSHDSACASA-N -1 0 401.441 -0.088 20 0 HBADRM COC[C@@H](NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1)C(=O)[O-] ZINC000547891270 1068324651 /nfs/dbraw/zinc/32/46/51/1068324651.db2.gz ZNDACUXDTBRYET-BMIGLBTASA-N -1 0 401.397 -0.872 20 0 HBADRM COC[C@H](NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1)C(=O)[O-] ZINC000547891271 1068324803 /nfs/dbraw/zinc/32/48/03/1068324803.db2.gz ZNDACUXDTBRYET-BONVTDFDSA-N -1 0 401.397 -0.872 20 0 HBADRM COC[C@@H](NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1)C(=O)[O-] ZINC000547891272 1068324871 /nfs/dbraw/zinc/32/48/71/1068324871.db2.gz ZNDACUXDTBRYET-MEBBXXQBSA-N -1 0 401.397 -0.872 20 0 HBADRM COC[C@H](NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1)C(=O)[O-] ZINC000547891273 1068324787 /nfs/dbraw/zinc/32/47/87/1068324787.db2.gz ZNDACUXDTBRYET-ZUZCIYMTSA-N -1 0 401.397 -0.872 20 0 HBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](Cc2cnn(C)c2)C(=O)[O-])cc1 ZINC000547892050 1068325748 /nfs/dbraw/zinc/32/57/48/1068325748.db2.gz USLSVVUYMYHHNW-GFCCVEGCSA-N -1 0 416.481 -0.450 20 0 HBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](Cc2cnn(C)c2)C(=O)[O-])cc1 ZINC000547892051 1068325920 /nfs/dbraw/zinc/32/59/20/1068325920.db2.gz USLSVVUYMYHHNW-LBPRGKRZSA-N -1 0 416.481 -0.450 20 0 HBADRM Cn1cnc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000547893149 1068325713 /nfs/dbraw/zinc/32/57/13/1068325713.db2.gz ZDZZFLKTHCQLIM-UHFFFAOYSA-N -1 0 414.465 -0.187 20 0 HBADRM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)[O-])c1C ZINC000547893532 1068325839 /nfs/dbraw/zinc/32/58/39/1068325839.db2.gz MXOZCRBSAZEHLQ-GFCCVEGCSA-N -1 0 403.457 -0.128 20 0 HBADRM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)[O-])c1C ZINC000547893533 1068326039 /nfs/dbraw/zinc/32/60/39/1068326039.db2.gz MXOZCRBSAZEHLQ-LBPRGKRZSA-N -1 0 403.457 -0.128 20 0 HBADRM Cn1cc(C[C@@H](NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)C(=O)[O-])cn1 ZINC000547893957 1068326613 /nfs/dbraw/zinc/32/66/13/1068326613.db2.gz BXIYZTVHLXOKCB-GFCCVEGCSA-N -1 0 420.444 -0.095 20 0 HBADRM Cn1cc(C[C@H](NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)C(=O)[O-])cn1 ZINC000547893958 1068326317 /nfs/dbraw/zinc/32/63/17/1068326317.db2.gz BXIYZTVHLXOKCB-LBPRGKRZSA-N -1 0 420.444 -0.095 20 0 HBADRM C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)N3CCC(C(=O)[O-])CC3)CC2)C[C@H](C)O1 ZINC000547894376 1068325098 /nfs/dbraw/zinc/32/50/98/1068325098.db2.gz UIDBMHAQAWLMAJ-KBPBESRZSA-N -1 0 418.516 -0.125 20 0 HBADRM C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)N3CCC(C(=O)[O-])CC3)CC2)C[C@H](C)O1 ZINC000547894377 1068325371 /nfs/dbraw/zinc/32/53/71/1068325371.db2.gz UIDBMHAQAWLMAJ-OKILXGFUSA-N -1 0 418.516 -0.125 20 0 HBADRM C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)N3CCC(C(=O)[O-])CC3)CC2)C[C@@H](C)O1 ZINC000547894378 1068325319 /nfs/dbraw/zinc/32/53/19/1068325319.db2.gz UIDBMHAQAWLMAJ-ZIAGYGMSSA-N -1 0 418.516 -0.125 20 0 HBADRM CC(C)(C)OC(=O)C[C@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000547895185 1068325115 /nfs/dbraw/zinc/32/51/15/1068325115.db2.gz BYDDAXWZEXCGCR-NSHDSACASA-N -1 0 408.454 -0.203 20 0 HBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CCN(C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000547896417 1068325209 /nfs/dbraw/zinc/32/52/09/1068325209.db2.gz NDKKHSJQRJQONW-GFCCVEGCSA-N -1 0 405.473 -0.341 20 0 HBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1CCN(C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000547896418 1068325355 /nfs/dbraw/zinc/32/53/55/1068325355.db2.gz NDKKHSJQRJQONW-LBPRGKRZSA-N -1 0 405.473 -0.341 20 0 HBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000547896694 1068325299 /nfs/dbraw/zinc/32/52/99/1068325299.db2.gz OIRYJCLALCEEBU-GFCCVEGCSA-N -1 0 408.454 -0.378 20 0 HBADRM Cc1ccccc1C[C@@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000547896990 1068325471 /nfs/dbraw/zinc/32/54/71/1068325471.db2.gz OIRMMQDJTGCDIQ-HNNXBMFYSA-N -1 0 419.525 -0.350 20 0 HBADRM Cc1ccccc1C[C@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000547896991 1068325283 /nfs/dbraw/zinc/32/52/83/1068325283.db2.gz OIRMMQDJTGCDIQ-OAHLLOKOSA-N -1 0 419.525 -0.350 20 0 HBADRM COC(=O)CCN(C)S(=O)(=O)N1CCN(C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000547897390 1068325455 /nfs/dbraw/zinc/32/54/55/1068325455.db2.gz ZMFRKKYKWBVKLI-UHFFFAOYSA-N -1 0 420.488 -0.740 20 0 HBADRM 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-0.003 20 0 HBADRM COC(=O)C[C@H](NS(=O)(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1)C(=O)[O-] ZINC000548200275 1068517226 /nfs/dbraw/zinc/51/72/26/1068517226.db2.gz KXFRQIPBBVMAKI-NSHDSACASA-N -1 0 403.365 -0.446 20 0 HBADRM COC(=O)c1cc(Br)cc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c1 ZINC000548200302 1068517163 /nfs/dbraw/zinc/51/71/63/1068517163.db2.gz ASNNBJXJOJJIKF-SECBINFHSA-N -1 0 409.214 -0.157 20 0 HBADRM CS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])cc1F ZINC000548200352 1068516902 /nfs/dbraw/zinc/51/69/02/1068516902.db2.gz DPQWUAZQFBVIJY-GFCCVEGCSA-N -1 0 406.417 -0.106 20 0 HBADRM NC(=O)CC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)[O-] ZINC000548200390 1068516995 /nfs/dbraw/zinc/51/69/95/1068516995.db2.gz MADLSSCZAMYPTA-CYBMUJFWSA-N -1 0 419.481 -0.532 20 0 HBADRM CS(=O)(=O)N1CCN(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CC1 ZINC000548200866 1068517716 /nfs/dbraw/zinc/51/77/16/1068517716.db2.gz STSJDYVDFHZXIH-CQSZACIVSA-N -1 0 403.482 -0.680 20 0 HBADRM COC(=O)c1cc(F)c(C)c(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)[O-])c1 ZINC000548201016 1068517586 /nfs/dbraw/zinc/51/75/86/1068517586.db2.gz COWPFTJDMRCXDV-CYBMUJFWSA-N -1 0 404.416 -0.016 20 0 HBADRM COC(=O)c1cc(F)c(C)c(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)[O-])c1 ZINC000548201017 1068517767 /nfs/dbraw/zinc/51/77/67/1068517767.db2.gz COWPFTJDMRCXDV-ZDUSSCGKSA-N -1 0 404.416 -0.016 20 0 HBADRM O=C([O-])C1(CNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)CCOCC1 ZINC000548201065 1068517651 /nfs/dbraw/zinc/51/76/51/1068517651.db2.gz GDLSFQQQPLIJMU-UHFFFAOYSA-N -1 0 406.482 -0.234 20 0 HBADRM COCCN(CCOC)S(=O)(=O)N[C@H](Cc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000548201344 1068517272 /nfs/dbraw/zinc/51/72/72/1068517272.db2.gz LGIUUKBHCDQXEI-CYBMUJFWSA-N -1 0 404.441 -0.160 20 0 HBADRM COCCN(CCOC)S(=O)(=O)N[C@@H](Cc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000548201345 1068517094 /nfs/dbraw/zinc/51/70/94/1068517094.db2.gz LGIUUKBHCDQXEI-ZDUSSCGKSA-N -1 0 404.441 -0.160 20 0 HBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000548201908 1068517178 /nfs/dbraw/zinc/51/71/78/1068517178.db2.gz YRZBSAVVZAASIQ-CQSZACIVSA-N -1 0 414.465 -0.175 20 0 HBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)[C@H]3CCOC3)CC2)cc1 ZINC000548201966 1068517125 /nfs/dbraw/zinc/51/71/25/1068517125.db2.gz BZICJRCCASXGAS-AWEZNQCLSA-N -1 0 404.466 -0.190 20 0 HBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)[C@@H]3CCOC3)CC2)cc1 ZINC000548201970 1068517073 /nfs/dbraw/zinc/51/70/73/1068517073.db2.gz BZICJRCCASXGAS-CQSZACIVSA-N -1 0 404.466 -0.190 20 0 HBADRM NC(=O)C[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)[O-] ZINC000548201986 1068517279 /nfs/dbraw/zinc/51/72/79/1068517279.db2.gz CJHVJZPJQVNZQJ-LBPRGKRZSA-N -1 0 405.454 -0.922 20 0 HBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3c[nH]cn3)CC2)cc1 ZINC000548202159 1068517287 /nfs/dbraw/zinc/51/72/87/1068517287.db2.gz ATAINQVRYMHPRX-UHFFFAOYSA-N -1 0 400.438 -0.197 20 0 HBADRM Cc1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc1S(=O)(=O)N1CCCCC1 ZINC000548202202 1068517149 /nfs/dbraw/zinc/51/71/49/1068517149.db2.gz CYDAXRASVJNTFQ-CYBMUJFWSA-N -1 0 406.482 -0.107 20 0 HBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)[O-] ZINC000548202735 1068517987 /nfs/dbraw/zinc/51/79/87/1068517987.db2.gz PDQAXOYBYIZSLF-ZDUSSCGKSA-N -1 0 420.465 -0.234 20 0 HBADRM NC(=O)C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)[O-] ZINC000548202869 1068517755 /nfs/dbraw/zinc/51/77/55/1068517755.db2.gz BRZPAYFVAAKLPF-ZDUSSCGKSA-N -1 0 419.481 -0.532 20 0 HBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)[O-] ZINC000548202980 1068518229 /nfs/dbraw/zinc/51/82/29/1068518229.db2.gz IFJOZDJWQRNVNV-RISCZKNCSA-N -1 0 406.482 -0.027 20 0 HBADRM COCC[C@@H](NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1)C(=O)[O-] ZINC000548202995 1068517571 /nfs/dbraw/zinc/51/75/71/1068517571.db2.gz IOJCFGAIGUQFOO-BDJLRTHQSA-N -1 0 415.424 -0.482 20 0 HBADRM COCC[C@@H](NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1)C(=O)[O-] ZINC000548202996 1068517637 /nfs/dbraw/zinc/51/76/37/1068517637.db2.gz IOJCFGAIGUQFOO-BZNIZROVSA-N -1 0 415.424 -0.482 20 0 HBADRM COCC[C@H](NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1)C(=O)[O-] ZINC000548202999 1068517747 /nfs/dbraw/zinc/51/77/47/1068517747.db2.gz IOJCFGAIGUQFOO-MEDUHNTESA-N -1 0 415.424 -0.482 20 0 HBADRM COCC[C@H](NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1)C(=O)[O-] ZINC000548203000 1068517783 /nfs/dbraw/zinc/51/77/83/1068517783.db2.gz IOJCFGAIGUQFOO-ZBEGNZNMSA-N -1 0 415.424 -0.482 20 0 HBADRM COC(=O)CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)C(=O)[O-] ZINC000548203092 1068517739 /nfs/dbraw/zinc/51/77/39/1068517739.db2.gz NLCQPRJDHPIVGE-VIFPVBQESA-N -1 0 408.816 -0.111 20 0 HBADRM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2)cc1 ZINC000548203289 1068518201 /nfs/dbraw/zinc/51/82/01/1068518201.db2.gz WWKKAAITZGNYMT-CYBMUJFWSA-N -1 0 402.454 -0.225 20 0 HBADRM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2)cc1 ZINC000548203290 1068518190 /nfs/dbraw/zinc/51/81/90/1068518190.db2.gz WWKKAAITZGNYMT-ZDUSSCGKSA-N -1 0 402.454 -0.225 20 0 HBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000548203731 1068518090 /nfs/dbraw/zinc/51/80/90/1068518090.db2.gz VZGAAFZMMZNYGX-AWEZNQCLSA-N -1 0 414.465 -0.175 20 0 HBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000548203733 1068518149 /nfs/dbraw/zinc/51/81/49/1068518149.db2.gz VZGAAFZMMZNYGX-CQSZACIVSA-N -1 0 414.465 -0.175 20 0 HBADRM Cc1ccc(S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000548203899 1068518316 /nfs/dbraw/zinc/51/83/16/1068518316.db2.gz VQYGRCPISSTRTO-ZDUSSCGKSA-N -1 0 406.482 -0.107 20 0 HBADRM CCc1ccc([C@H](NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C(=O)[O-])cc1 ZINC000548204045 1068518223 /nfs/dbraw/zinc/51/82/23/1068518223.db2.gz PYPQDCYTDDRLOV-AWEZNQCLSA-N -1 0 405.498 -0.214 20 0 HBADRM CCc1ccc([C@@H](NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C(=O)[O-])cc1 ZINC000548204046 1068518137 /nfs/dbraw/zinc/51/81/37/1068518137.db2.gz PYPQDCYTDDRLOV-CQSZACIVSA-N -1 0 405.498 -0.214 20 0 HBADRM NC(=O)C[C@H](NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2)C(=O)[O-] ZINC000548204140 1068518023 /nfs/dbraw/zinc/51/80/23/1068518023.db2.gz ZCBNDUGXSHKCAS-ZETCQYMHSA-N -1 0 422.213 -0.613 20 0 HBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000548204438 1068518647 /nfs/dbraw/zinc/51/86/47/1068518647.db2.gz YRZBSAVVZAASIQ-AWEZNQCLSA-N -1 0 414.465 -0.175 20 0 HBADRM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])c1 ZINC000548205289 1068518283 /nfs/dbraw/zinc/51/82/83/1068518283.db2.gz QPLYUWCVNWQDJM-GFCCVEGCSA-N -1 0 411.392 -0.043 20 0 HBADRM Cn1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)[O-])cc3)CC2)cn1 ZINC000548205496 1068518768 /nfs/dbraw/zinc/51/87/68/1068518768.db2.gz ANJIUTGMCKJYSJ-UHFFFAOYSA-N -1 0 414.465 -0.187 20 0 HBADRM O=C([O-])[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)[C@H]1CCOC1 ZINC000548205497 1068518573 /nfs/dbraw/zinc/51/85/73/1068518573.db2.gz ANQMIYAMEVXJNV-HZMBPMFUSA-N -1 0 404.466 -0.105 20 0 HBADRM O=C([O-])[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)[C@H]1CCOC1 ZINC000548205498 1068518833 /nfs/dbraw/zinc/51/88/33/1068518833.db2.gz ANQMIYAMEVXJNV-IINYFYTJSA-N -1 0 404.466 -0.105 20 0 HBADRM O=C([O-])[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)[C@@H]1CCOC1 ZINC000548205499 1068518629 /nfs/dbraw/zinc/51/86/29/1068518629.db2.gz ANQMIYAMEVXJNV-QMTHXVAHSA-N -1 0 404.466 -0.105 20 0 HBADRM O=C([O-])[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)[C@@H]1CCOC1 ZINC000548205500 1068518756 /nfs/dbraw/zinc/51/87/56/1068518756.db2.gz ANQMIYAMEVXJNV-YGRLFVJLSA-N -1 0 404.466 -0.105 20 0 HBADRM Cc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1S(=O)(=O)N1CCCCC1 ZINC000548205551 1068518701 /nfs/dbraw/zinc/51/87/01/1068518701.db2.gz CYDAXRASVJNTFQ-ZDUSSCGKSA-N -1 0 406.482 -0.107 20 0 HBADRM COC(=O)CC[C@H](NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(=O)[O-] ZINC000548206147 1068518716 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404.466 -0.006 20 0 HBADRM O=C([O-])[C@@H](NS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1)[C@@H]1CCOC1 ZINC000548207218 1068518732 /nfs/dbraw/zinc/51/87/32/1068518732.db2.gz GZMACKLGRFPPOT-RISCZKNCSA-N -1 0 404.466 -0.006 20 0 HBADRM O=C([O-])[C@H](NS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1)[C@H]1CCOC1 ZINC000548207221 1068518810 /nfs/dbraw/zinc/51/88/10/1068518810.db2.gz GZMACKLGRFPPOT-SMDDNHRTSA-N -1 0 404.466 -0.006 20 0 HBADRM CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])c(OC)c1 ZINC000548207429 1068518779 /nfs/dbraw/zinc/51/87/79/1068518779.db2.gz QCNYJRVCRXCRKC-NSHDSACASA-N -1 0 410.470 -0.039 20 0 HBADRM COc1ccccc1[C@@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000548207695 1068518762 /nfs/dbraw/zinc/51/87/62/1068518762.db2.gz LQDIUBCYSRHQGH-CYBMUJFWSA-N -1 0 407.470 -0.768 20 0 HBADRM COc1ccccc1[C@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000548207704 1068518610 /nfs/dbraw/zinc/51/86/10/1068518610.db2.gz LQDIUBCYSRHQGH-ZDUSSCGKSA-N -1 0 407.470 -0.768 20 0 HBADRM 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Cc1cc(C)cc([C@@H](NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C(=O)[O-])c1 ZINC000548262433 1068529730 /nfs/dbraw/zinc/52/97/30/1068529730.db2.gz RNKAPIPWSCGUEO-CQSZACIVSA-N -1 0 405.498 -0.159 20 0 HBADRM CS(=O)(=O)N1CCN(S(=O)(=O)Nc2cc3c(c(C(=O)[O-])c2)OCCO3)CC1 ZINC000548262530 1068529712 /nfs/dbraw/zinc/52/97/12/1068529712.db2.gz NMQSVACCYYGLQD-UHFFFAOYSA-N -1 0 421.453 -0.610 20 0 HBADRM COc1cc(C(=O)[O-])cc(NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)c1OC ZINC000548264076 1068530312 /nfs/dbraw/zinc/53/03/12/1068530312.db2.gz MMKZLMXNDMUJSE-UHFFFAOYSA-N -1 0 423.469 -0.364 20 0 HBADRM CS(=O)(=O)N1CCN(S(=O)(=O)NC[C@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000548265587 1068529947 /nfs/dbraw/zinc/52/99/47/1068529947.db2.gz FLSYTUJVRCOLPQ-AWEZNQCLSA-N -1 0 405.498 -0.344 20 0 HBADRM CS(=O)(=O)N1CCN(S(=O)(=O)NC[C@@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000548265600 1068529969 /nfs/dbraw/zinc/52/99/69/1068529969.db2.gz FLSYTUJVRCOLPQ-CQSZACIVSA-N -1 0 405.498 -0.344 20 0 HBADRM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](Cc2cnn(C)c2)C(=O)[O-])c1 ZINC000548266967 1068530556 /nfs/dbraw/zinc/53/05/56/1068530556.db2.gz MZMBTJRRDUIUJC-AWEZNQCLSA-N -1 0 416.481 -0.355 20 0 HBADRM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H](Cc2cnn(C)c2)C(=O)[O-])c1 ZINC000548266968 1068530390 /nfs/dbraw/zinc/53/03/90/1068530390.db2.gz MZMBTJRRDUIUJC-CQSZACIVSA-N -1 0 416.481 -0.355 20 0 HBADRM C[C@@](CO)(CNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)CC(=O)[O-] ZINC000548357166 1068545458 /nfs/dbraw/zinc/54/54/58/1068545458.db2.gz UPFNFEGHEHSBCI-HNNXBMFYSA-N -1 0 406.482 -0.121 20 0 HBADRM C[C@](CO)(CNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)CC(=O)[O-] ZINC000548357174 1068545378 /nfs/dbraw/zinc/54/53/78/1068545378.db2.gz UPFNFEGHEHSBCI-OAHLLOKOSA-N -1 0 406.482 -0.121 20 0 HBADRM O=C([O-])[C@@H](CCO)NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000548521869 1068614052 /nfs/dbraw/zinc/61/40/52/1068614052.db2.gz HWUGIGBKBASPSX-SNVBAGLBSA-N -1 0 420.387 -0.359 20 0 HBADRM O=C([O-])[C@@H](CCO)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000548522007 1068614181 /nfs/dbraw/zinc/61/41/81/1068614181.db2.gz HBMKYYQOEFGZLK-CQSZACIVSA-N -1 0 406.482 -0.025 20 0 HBADRM CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])s1 ZINC000548524171 1068614710 /nfs/dbraw/zinc/61/47/10/1068614710.db2.gz JBWSEUOXNKEJMN-JTQLQIEISA-N -1 0 400.500 -0.656 20 0 HBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000548524613 1068614752 /nfs/dbraw/zinc/61/47/52/1068614752.db2.gz OVSFTLVUMRRTJH-UHFFFAOYSA-N -1 0 407.202 -0.490 20 0 HBADRM CS(=O)(=O)N1CCN(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCO3)CC1 ZINC000548524690 1068614695 /nfs/dbraw/zinc/61/46/95/1068614695.db2.gz RTJKDQBTWRMSSV-UHFFFAOYSA-N -1 0 407.426 -0.653 20 0 HBADRM CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])s1 ZINC000548524992 1068614638 /nfs/dbraw/zinc/61/46/38/1068614638.db2.gz IRTCNTMICAXWNR-UHFFFAOYSA-N -1 0 405.498 -0.068 20 0 HBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@H](Cc2c[nH]c3ncccc23)C(=O)[O-])cn1 ZINC000548525140 1068614623 /nfs/dbraw/zinc/61/46/23/1068614623.db2.gz PGZAANDBJOKDDU-CYBMUJFWSA-N -1 0 407.408 -0.093 20 0 HBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ncccc23)C(=O)[O-])cn1 ZINC000548525141 1068614820 /nfs/dbraw/zinc/61/48/20/1068614820.db2.gz PGZAANDBJOKDDU-ZDUSSCGKSA-N -1 0 407.408 -0.093 20 0 HBADRM CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC000548525454 1068614870 /nfs/dbraw/zinc/61/48/70/1068614870.db2.gz BZMYRXFPSJBZSP-UHFFFAOYSA-N -1 0 407.470 -0.293 20 0 HBADRM O=C([O-])[C@@H](CCO)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000548525565 1068614776 /nfs/dbraw/zinc/61/47/76/1068614776.db2.gz JHSIIHZGNPFVOB-CQSZACIVSA-N -1 0 406.482 -0.025 20 0 HBADRM CS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cc1F ZINC000548525729 1068614827 /nfs/dbraw/zinc/61/48/27/1068614827.db2.gz DPQWUAZQFBVIJY-LBPRGKRZSA-N -1 0 406.417 -0.106 20 0 HBADRM CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])c(OC)c1 ZINC000548525927 1068614648 /nfs/dbraw/zinc/61/46/48/1068614648.db2.gz QCNYJRVCRXCRKC-LLVKDONJSA-N -1 0 410.470 -0.039 20 0 HBADRM CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])c(OC)c1 ZINC000548526055 1068614810 /nfs/dbraw/zinc/61/48/10/1068614810.db2.gz UTLGEXYZYAFROZ-NSHDSACASA-N -1 0 410.470 -0.039 20 0 HBADRM NC(=O)C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)[O-] ZINC000548526723 1068615523 /nfs/dbraw/zinc/61/55/23/1068615523.db2.gz UEEJMFCYCDMUAP-LBPRGKRZSA-N -1 0 405.454 -0.922 20 0 HBADRM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])s1 ZINC000548526864 1068615552 /nfs/dbraw/zinc/61/55/52/1068615552.db2.gz LYULTHNKFHTKMQ-UHFFFAOYSA-N -1 0 405.498 -0.068 20 0 HBADRM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c1 ZINC000548527184 1068614782 /nfs/dbraw/zinc/61/47/82/1068614782.db2.gz QPLYUWCVNWQDJM-LBPRGKRZSA-N -1 0 411.392 -0.043 20 0 HBADRM O=C([O-])[C@@H](O)CCNS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000548527390 1068614853 /nfs/dbraw/zinc/61/48/53/1068614853.db2.gz ZFCBWUYZHMMAPL-JTQLQIEISA-N -1 0 420.387 -0.359 20 0 HBADRM CS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c(F)c1 ZINC000548527719 1068615705 /nfs/dbraw/zinc/61/57/05/1068615705.db2.gz YOSHJMBPOLPWCE-NSHDSACASA-N -1 0 406.417 -0.106 20 0 HBADRM NC(=O)CC[C@@H](NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1)C(=O)[O-] ZINC000548527754 1068615543 /nfs/dbraw/zinc/61/55/43/1068615543.db2.gz BQRVOCGPIPHTQF-SNVBAGLBSA-N -1 0 411.358 -0.024 20 0 HBADRM Cc1cc(C)cc(C[C@H](NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C(=O)[O-])c1 ZINC000548527992 1068615650 /nfs/dbraw/zinc/61/56/50/1068615650.db2.gz RSYBKPZEFNCNEL-HNNXBMFYSA-N -1 0 419.525 -0.289 20 0 HBADRM Cc1cc(C)cc(C[C@@H](NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C(=O)[O-])c1 ZINC000548527993 1068615534 /nfs/dbraw/zinc/61/55/34/1068615534.db2.gz RSYBKPZEFNCNEL-OAHLLOKOSA-N -1 0 419.525 -0.289 20 0 HBADRM Cn1cc([C@H](NS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C(=O)[O-])cn1 ZINC000548528123 1068615558 /nfs/dbraw/zinc/61/55/58/1068615558.db2.gz CBUNADHOHZCUKS-AWEZNQCLSA-N -1 0 414.465 -0.035 20 0 HBADRM Cn1cc([C@@H](NS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C(=O)[O-])cn1 ZINC000548528126 1068615693 /nfs/dbraw/zinc/61/56/93/1068615693.db2.gz CBUNADHOHZCUKS-CQSZACIVSA-N -1 0 414.465 -0.035 20 0 HBADRM NS(=O)(=O)c1cccc(S(=O)(=O)NCCc2nc(CC(=O)[O-])cs2)c1 ZINC000548528623 1068615637 /nfs/dbraw/zinc/61/56/37/1068615637.db2.gz GOHXVBUSHSLMFH-UHFFFAOYSA-N -1 0 405.479 -0.061 20 0 HBADRM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])ccc2O1 ZINC000548528802 1068615608 /nfs/dbraw/zinc/61/56/08/1068615608.db2.gz OJXCTIKKSTUGHI-DGCLKSJQSA-N -1 0 400.409 -0.450 20 0 HBADRM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])ccc2O1 ZINC000548528816 1068615568 /nfs/dbraw/zinc/61/55/68/1068615568.db2.gz OJXCTIKKSTUGHI-YPMHNXCESA-N -1 0 400.409 -0.450 20 0 HBADRM NC(=O)C[C@H](NS(=O)(=O)c1cc2c(cc1Br)OCCO2)C(=O)[O-] ZINC000548531230 1068616314 /nfs/dbraw/zinc/61/63/14/1068616314.db2.gz XXLDIXGAYRHYCE-ZETCQYMHSA-N -1 0 409.214 -0.173 20 0 HBADRM Cn1cc(S(=O)(=O)NC[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])c(=O)n(C)c1=O ZINC000548531432 1068615658 /nfs/dbraw/zinc/61/56/58/1068615658.db2.gz QSNKCARPXFFHRO-LLVKDONJSA-N -1 0 415.855 -0.041 20 0 HBADRM Cn1cc(S(=O)(=O)NC[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])c(=O)n(C)c1=O ZINC000548531436 1068615684 /nfs/dbraw/zinc/61/56/84/1068615684.db2.gz QSNKCARPXFFHRO-NSHDSACASA-N -1 0 415.855 -0.041 20 0 HBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H](Cn1ccc(C(F)(F)F)n1)C(=O)[O-] ZINC000548532162 1068615679 /nfs/dbraw/zinc/61/56/79/1068615679.db2.gz IVFSTJCXTKLHDT-MRVPVSSYSA-N -1 0 402.351 -0.316 20 0 HBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H](Cn1ccc(C(F)(F)F)n1)C(=O)[O-] ZINC000548532163 1068615594 /nfs/dbraw/zinc/61/55/94/1068615594.db2.gz IVFSTJCXTKLHDT-QMMMGPOBSA-N -1 0 402.351 -0.316 20 0 HBADRM COC(=O)CC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)[O-] ZINC000548532580 1068616377 /nfs/dbraw/zinc/61/63/77/1068616377.db2.gz CEERRLWMZRBUHP-LBPRGKRZSA-N -1 0 408.454 -0.378 20 0 HBADRM NC(=O)C[C@H](NS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2)C(=O)[O-] ZINC000548532740 1068616511 /nfs/dbraw/zinc/61/65/11/1068616511.db2.gz KMJGWZSOTYFCJP-VIFPVBQESA-N -1 0 420.241 -0.059 20 0 HBADRM COC(=O)CC[C@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000548533487 1068616344 /nfs/dbraw/zinc/61/63/44/1068616344.db2.gz JFAQUVJFKAHUNT-ZDUSSCGKSA-N -1 0 412.420 -0.002 20 0 HBADRM NS(=O)(=O)c1ccc(S(=O)(=O)NCCc2nc(CC(=O)[O-])cs2)cc1 ZINC000548533836 1068616391 /nfs/dbraw/zinc/61/63/91/1068616391.db2.gz AKXFQVGMPMDLMK-UHFFFAOYSA-N -1 0 405.479 -0.061 20 0 HBADRM NC(=O)CC[C@@H](NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)[O-] ZINC000548534031 1068616407 /nfs/dbraw/zinc/61/64/07/1068616407.db2.gz NQGAIVSTGQNGFY-SNVBAGLBSA-N -1 0 411.358 -0.024 20 0 HBADRM Cc1cc(C)n(C[C@@H](NS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C(=O)[O-])n1 ZINC000548535038 1068616487 /nfs/dbraw/zinc/61/64/87/1068616487.db2.gz QVDJABZXPXMYEF-GFCCVEGCSA-N -1 0 422.423 -0.721 20 0 HBADRM Cc1cc(C)n(C[C@H](NS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C(=O)[O-])n1 ZINC000548535050 1068616364 /nfs/dbraw/zinc/61/63/64/1068616364.db2.gz QVDJABZXPXMYEF-LBPRGKRZSA-N -1 0 422.423 -0.721 20 0 HBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](Cn2nc(C)cc2C)C(=O)[O-])c1 ZINC000548535351 1068616460 /nfs/dbraw/zinc/61/64/60/1068616460.db2.gz SNQNSUZQACQTRT-AWEZNQCLSA-N -1 0 416.481 -0.160 20 0 HBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](Cn2nc(C)cc2C)C(=O)[O-])c1 ZINC000548535352 1068616528 /nfs/dbraw/zinc/61/65/28/1068616528.db2.gz SNQNSUZQACQTRT-CQSZACIVSA-N -1 0 416.481 -0.160 20 0 HBADRM Cc1cnn(C[C@H](NS(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)C(=O)[O-])c1 ZINC000548535580 1068617196 /nfs/dbraw/zinc/61/71/96/1068617196.db2.gz OZPKGIHYBKDOIC-AWEZNQCLSA-N -1 0 416.481 -0.126 20 0 HBADRM Cc1cnn(C[C@@H](NS(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)C(=O)[O-])c1 ZINC000548535581 1068617034 /nfs/dbraw/zinc/61/70/34/1068617034.db2.gz OZPKGIHYBKDOIC-CQSZACIVSA-N -1 0 416.481 -0.126 20 0 HBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](Cn2nc(C)cc2C)C(=O)[O-])cc1 ZINC000548535932 1068617023 /nfs/dbraw/zinc/61/70/23/1068617023.db2.gz YEVCKIVZPSSUOF-AWEZNQCLSA-N -1 0 416.481 -0.160 20 0 HBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](Cn2nc(C)cc2C)C(=O)[O-])cc1 ZINC000548535934 1068617199 /nfs/dbraw/zinc/61/71/99/1068617199.db2.gz YEVCKIVZPSSUOF-CQSZACIVSA-N -1 0 416.481 -0.160 20 0 HBADRM COC(=O)c1cc(Br)ccc1S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000548536022 1068616420 /nfs/dbraw/zinc/61/64/20/1068616420.db2.gz OQBZNNUZFXNYQP-QMMMGPOBSA-N -1 0 409.214 -0.157 20 0 HBADRM NC(=O)C[C@@H](NS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br)C(=O)[O-] ZINC000548536029 1068616277 /nfs/dbraw/zinc/61/62/77/1068616277.db2.gz VTBSDXFCAAWEGB-SSDOTTSWSA-N -1 0 407.202 -0.362 20 0 HBADRM CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])cc1 ZINC000548536290 1068617059 /nfs/dbraw/zinc/61/70/59/1068617059.db2.gz YPDDONASBLFMNN-CYBMUJFWSA-N -1 0 421.497 -0.286 20 0 HBADRM 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CCS(=O)(=O)NCCS(=O)(=O)N[C@H](CN1CCCc2ccccc21)C(=O)[O-] ZINC000548537301 1068617160 /nfs/dbraw/zinc/61/71/60/1068617160.db2.gz QNMDNJBFWWANAC-CQSZACIVSA-N -1 0 419.525 -0.249 20 0 HBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 ZINC000548537752 1068617205 /nfs/dbraw/zinc/61/72/05/1068617205.db2.gz CCVHAQKFVLOYIB-UHFFFAOYSA-N -1 0 419.481 -0.732 20 0 HBADRM CS(=O)(=O)N1CCN(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCCO3)CC1 ZINC000548538556 1068617897 /nfs/dbraw/zinc/61/78/97/1068617897.db2.gz NOHKFVKPUJEVOO-UHFFFAOYSA-N -1 0 421.453 -0.610 20 0 HBADRM COC(=O)C[C@H](NS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1)C(=O)[O-] ZINC000548538768 1068617710 /nfs/dbraw/zinc/61/77/10/1068617710.db2.gz LOUKSNGPEDEAGR-QMMMGPOBSA-N -1 0 415.346 -0.388 20 0 HBADRM NC(=O)C[C@@H](NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2)C(=O)[O-] ZINC000548539420 1068617173 /nfs/dbraw/zinc/61/71/73/1068617173.db2.gz ZCBNDUGXSHKCAS-SSDOTTSWSA-N -1 0 422.213 -0.613 20 0 HBADRM 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ZWFGFMCTWAPOBP-ZDUSSCGKSA-N -1 0 409.461 -0.247 20 0 HBADRM C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000548569465 1068624437 /nfs/dbraw/zinc/62/44/37/1068624437.db2.gz NDUYWUJDFYMOMV-LLVKDONJSA-N -1 0 406.482 -0.027 20 0 HBADRM C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000548569466 1068625255 /nfs/dbraw/zinc/62/52/55/1068625255.db2.gz NDUYWUJDFYMOMV-NSHDSACASA-N -1 0 406.482 -0.027 20 0 HBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)[O-])cnc21 ZINC000548569899 1068625211 /nfs/dbraw/zinc/62/52/11/1068625211.db2.gz HSJLOWAZOPKSKL-ZDUSSCGKSA-N -1 0 420.403 -0.286 20 0 HBADRM O=C([O-])CN(CCO)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000548571420 1068625374 /nfs/dbraw/zinc/62/53/74/1068625374.db2.gz XBOXJRGAXRYJHS-UHFFFAOYSA-N -1 0 406.482 -0.071 20 0 HBADRM NC(=O)CC[C@H](NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)[O-] ZINC000548571504 1068625279 /nfs/dbraw/zinc/62/52/79/1068625279.db2.gz NQGAIVSTGQNGFY-JTQLQIEISA-N -1 0 411.358 -0.024 20 0 HBADRM CC(=O)N1CCc2ccc(S(=O)(=O)N3CCS(=O)(=O)C[C@H]3CC(=O)[O-])cc21 ZINC000548572038 1068626155 /nfs/dbraw/zinc/62/61/55/1068626155.db2.gz IVSXOLLSSZBSSJ-CYBMUJFWSA-N -1 0 416.477 -0.142 20 0 HBADRM CC(=O)N1CCc2ccc(S(=O)(=O)N3CCS(=O)(=O)C[C@@H]3CC(=O)[O-])cc21 ZINC000548572039 1068625962 /nfs/dbraw/zinc/62/59/62/1068625962.db2.gz IVSXOLLSSZBSSJ-ZDUSSCGKSA-N -1 0 416.477 -0.142 20 0 HBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000548572528 1068626021 /nfs/dbraw/zinc/62/60/21/1068626021.db2.gz OEXSAURBZDCZQG-LLVKDONJSA-N -1 0 402.450 -0.765 20 0 HBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000548572529 1068626111 /nfs/dbraw/zinc/62/61/11/1068626111.db2.gz OEXSAURBZDCZQG-NSHDSACASA-N -1 0 402.450 -0.765 20 0 HBADRM O=C([O-])[C@@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)C3CN(C(=O)c4ccccc4)C3)C2)C1 ZINC000548573147 1068625906 /nfs/dbraw/zinc/62/59/06/1068625906.db2.gz FGGWKYYKWRXTJK-CABCVRRESA-N -1 0 421.475 -0.152 20 0 HBADRM O=C([O-])[C@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)C3CN(C(=O)c4ccccc4)C3)C2)C1 ZINC000548573148 1068626158 /nfs/dbraw/zinc/62/61/58/1068626158.db2.gz FGGWKYYKWRXTJK-GJZGRUSLSA-N -1 0 421.475 -0.152 20 0 HBADRM O=C([O-])[C@@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)C3CN(C(=O)c4ccccc4)C3)C2)C1 ZINC000548573149 1068625923 /nfs/dbraw/zinc/62/59/23/1068625923.db2.gz FGGWKYYKWRXTJK-HUUCEWRRSA-N -1 0 421.475 -0.152 20 0 HBADRM O=C([O-])[C@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)C3CN(C(=O)c4ccccc4)C3)C2)C1 ZINC000548573150 1068625927 /nfs/dbraw/zinc/62/59/27/1068625927.db2.gz FGGWKYYKWRXTJK-LSDHHAIUSA-N -1 0 421.475 -0.152 20 0 HBADRM O=C([O-])[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000548573695 1068625384 /nfs/dbraw/zinc/62/53/84/1068625384.db2.gz PIBFKNXRVZXHTD-AWEZNQCLSA-N -1 0 405.388 -0.104 20 0 HBADRM COC(=O)c1cccc(CS(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])c1 ZINC000548574302 1068625164 /nfs/dbraw/zinc/62/51/64/1068625164.db2.gz YLLYFAZEHMZWKT-CYBMUJFWSA-N -1 0 405.450 -0.123 20 0 HBADRM COC(=O)c1cccc(CS(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])c1 ZINC000548574303 1068625355 /nfs/dbraw/zinc/62/53/55/1068625355.db2.gz YLLYFAZEHMZWKT-ZDUSSCGKSA-N -1 0 405.450 -0.123 20 0 HBADRM COc1ccc(S(=O)(=O)N2CC[C@@H](N3C[C@H](C(=O)[O-])CC3=O)C2)cc1C(N)=O ZINC000548576625 1068626604 /nfs/dbraw/zinc/62/66/04/1068626604.db2.gz PGEFEWYSZFPRCL-GHMZBOCLSA-N -1 0 411.436 -0.510 20 0 HBADRM COc1ccc(S(=O)(=O)N2CC[C@H](N3C[C@H](C(=O)[O-])CC3=O)C2)cc1C(N)=O ZINC000548576626 1068627287 /nfs/dbraw/zinc/62/72/87/1068627287.db2.gz PGEFEWYSZFPRCL-MNOVXSKESA-N -1 0 411.436 -0.510 20 0 HBADRM COc1ccc(S(=O)(=O)N2CC[C@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)cc1C(N)=O ZINC000548576627 1068627370 /nfs/dbraw/zinc/62/73/70/1068627370.db2.gz PGEFEWYSZFPRCL-QWRGUYRKSA-N -1 0 411.436 -0.510 20 0 HBADRM COc1ccc(S(=O)(=O)N2CC[C@@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)cc1C(N)=O ZINC000548576628 1068627120 /nfs/dbraw/zinc/62/71/20/1068627120.db2.gz PGEFEWYSZFPRCL-WDEREUQCSA-N -1 0 411.436 -0.510 20 0 HBADRM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)c1 ZINC000548576888 1068626554 /nfs/dbraw/zinc/62/65/54/1068626554.db2.gz MPDCRLZGBMBPHR-GWCFXTLKSA-N -1 0 419.481 -0.724 20 0 HBADRM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)c1 ZINC000548576890 1068626466 /nfs/dbraw/zinc/62/64/66/1068626466.db2.gz MPDCRLZGBMBPHR-GXFFZTMASA-N -1 0 419.481 -0.724 20 0 HBADRM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)c1 ZINC000548576891 1068626550 /nfs/dbraw/zinc/62/65/50/1068626550.db2.gz MPDCRLZGBMBPHR-MFKMUULPSA-N -1 0 419.481 -0.724 20 0 HBADRM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)c1 ZINC000548576892 1068626610 /nfs/dbraw/zinc/62/66/10/1068626610.db2.gz MPDCRLZGBMBPHR-ZWNOBZJWSA-N -1 0 419.481 -0.724 20 0 HBADRM Cn1c2ccc(S(=O)(=O)N3CC[C@H](N4C[C@H](C(=O)[O-])CC4=O)C3)cc2n(C)c1=O ZINC000548577521 1068626617 /nfs/dbraw/zinc/62/66/17/1068626617.db2.gz WYOFOXNMYBHIHG-NEPJUHHUSA-N -1 0 422.463 -0.427 20 0 HBADRM Cn1c2ccc(S(=O)(=O)N3CC[C@@H](N4C[C@@H](C(=O)[O-])CC4=O)C3)cc2n(C)c1=O ZINC000548577525 1068626542 /nfs/dbraw/zinc/62/65/42/1068626542.db2.gz WYOFOXNMYBHIHG-NWDGAFQWSA-N -1 0 422.463 -0.427 20 0 HBADRM Cn1c2ccc(S(=O)(=O)N3CC[C@H](N4C[C@@H](C(=O)[O-])CC4=O)C3)cc2n(C)c1=O ZINC000548577526 1068626583 /nfs/dbraw/zinc/62/65/83/1068626583.db2.gz WYOFOXNMYBHIHG-RYUDHWBXSA-N -1 0 422.463 -0.427 20 0 HBADRM Cn1c2ccc(S(=O)(=O)N3CC[C@@H](N4C[C@H](C(=O)[O-])CC4=O)C3)cc2n(C)c1=O ZINC000548577527 1068626538 /nfs/dbraw/zinc/62/65/38/1068626538.db2.gz WYOFOXNMYBHIHG-VXGBXAGGSA-N -1 0 422.463 -0.427 20 0 HBADRM Cc1nn(C)c2ncc(S(=O)(=O)N3CC[C@H](N4C[C@H](C(=O)[O-])CC4=O)C3)cc12 ZINC000548577911 1068627280 /nfs/dbraw/zinc/62/72/80/1068627280.db2.gz JEGSQTLCQWNXAS-NEPJUHHUSA-N -1 0 407.452 -0.027 20 0 HBADRM Cc1nn(C)c2ncc(S(=O)(=O)N3CC[C@@H](N4C[C@@H](C(=O)[O-])CC4=O)C3)cc12 ZINC000548577912 1068627196 /nfs/dbraw/zinc/62/71/96/1068627196.db2.gz JEGSQTLCQWNXAS-NWDGAFQWSA-N -1 0 407.452 -0.027 20 0 HBADRM Cc1nn(C)c2ncc(S(=O)(=O)N3CC[C@H](N4C[C@@H](C(=O)[O-])CC4=O)C3)cc12 ZINC000548577913 1068627319 /nfs/dbraw/zinc/62/73/19/1068627319.db2.gz JEGSQTLCQWNXAS-RYUDHWBXSA-N -1 0 407.452 -0.027 20 0 HBADRM Cc1nn(C)c2ncc(S(=O)(=O)N3CC[C@@H](N4C[C@H](C(=O)[O-])CC4=O)C3)cc12 ZINC000548577914 1068627362 /nfs/dbraw/zinc/62/73/62/1068627362.db2.gz JEGSQTLCQWNXAS-VXGBXAGGSA-N -1 0 407.452 -0.027 20 0 HBADRM COC(=O)c1cc(F)ccc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000548579437 1068627838 /nfs/dbraw/zinc/62/78/38/1068627838.db2.gz SHTMOKYNIFARCV-JTQLQIEISA-N -1 0 409.413 -0.125 20 0 HBADRM COC(=O)c1cc(F)ccc1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000548579444 1068628069 /nfs/dbraw/zinc/62/80/69/1068628069.db2.gz SHTMOKYNIFARCV-SNVBAGLBSA-N -1 0 409.413 -0.125 20 0 HBADRM CCn1c(=O)oc2cc(S(=O)(=O)N3CCS(=O)(=O)C[C@@H]3CC(=O)[O-])ccc21 ZINC000548580452 1068627821 /nfs/dbraw/zinc/62/78/21/1068627821.db2.gz YUAMTLUGYIOCCP-JTQLQIEISA-N -1 0 418.449 -0.123 20 0 HBADRM CCn1c(=O)oc2cc(S(=O)(=O)N3CCS(=O)(=O)C[C@H]3CC(=O)[O-])ccc21 ZINC000548580455 1068627952 /nfs/dbraw/zinc/62/79/52/1068627952.db2.gz YUAMTLUGYIOCCP-SNVBAGLBSA-N -1 0 418.449 -0.123 20 0 HBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000548584679 1068629458 /nfs/dbraw/zinc/62/94/58/1068629458.db2.gz BOQFOATYHNYZEX-SECBINFHSA-N -1 0 411.841 -0.017 20 0 HBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000548584680 1068629309 /nfs/dbraw/zinc/62/93/09/1068629309.db2.gz BOQFOATYHNYZEX-VIFPVBQESA-N -1 0 411.841 -0.017 20 0 HBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000548584705 1068629549 /nfs/dbraw/zinc/62/95/49/1068629549.db2.gz GBGGQCIUSODGLK-CYBMUJFWSA-N -1 0 402.450 -0.166 20 0 HBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000548584706 1068629525 /nfs/dbraw/zinc/62/95/25/1068629525.db2.gz GBGGQCIUSODGLK-ZDUSSCGKSA-N -1 0 402.450 -0.166 20 0 HBADRM 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ZINC000766923018 1070161950 /nfs/dbraw/zinc/16/19/50/1070161950.db2.gz PBLMGLNQDDCCSK-UHFFFAOYSA-N -1 0 417.509 -0.699 20 0 HBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000766923261 1070161941 /nfs/dbraw/zinc/16/19/41/1070161941.db2.gz PKMMAOMACLJFDS-ABAIWWIYSA-N -1 0 401.441 -0.352 20 0 HBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000766923262 1070161868 /nfs/dbraw/zinc/16/18/68/1070161868.db2.gz PKMMAOMACLJFDS-IAQYHMDHSA-N -1 0 401.441 -0.352 20 0 HBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000766923263 1070161821 /nfs/dbraw/zinc/16/18/21/1070161821.db2.gz PKMMAOMACLJFDS-NHYWBVRUSA-N -1 0 401.441 -0.352 20 0 HBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000766923264 1070161745 /nfs/dbraw/zinc/16/17/45/1070161745.db2.gz PKMMAOMACLJFDS-XHDPSFHLSA-N -1 0 401.441 -0.352 20 0 HBADRM CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)[N-]S(=O)(=O)CC(N)=O)C2=O ZINC000766923265 1070161904 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402.230 -0.117 20 0 HBADRM CCCn1c(=O)[nH]c(=O)c2c(C(=O)[N-]S(=O)(=O)CC(N)=O)cc(C(C)C)nc21 ZINC000766924493 1070161975 /nfs/dbraw/zinc/16/19/75/1070161975.db2.gz UWKGOBCXEBBREX-UHFFFAOYSA-N -1 0 411.440 -0.425 20 0 HBADRM CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766924649 1070161810 /nfs/dbraw/zinc/16/18/10/1070161810.db2.gz WVQVGDKLIANTGL-UHFFFAOYSA-N -1 0 419.481 -0.779 20 0 HBADRM C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)[N-]S(=O)(=O)CC(N)=O)c2)C[C@@H](C)O1 ZINC000766924731 1070161966 /nfs/dbraw/zinc/16/19/66/1070161966.db2.gz NVEOYWTUOQCAON-GHMZBOCLSA-N -1 0 419.481 -0.971 20 0 HBADRM C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)[N-]S(=O)(=O)CC(N)=O)c2)C[C@H](C)O1 ZINC000766924734 1070161789 /nfs/dbraw/zinc/16/17/89/1070161789.db2.gz NVEOYWTUOQCAON-PHIMTYICSA-N -1 0 419.481 -0.971 20 0 HBADRM C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)[N-]S(=O)(=O)CC(N)=O)c2)C[C@H](C)O1 ZINC000766924735 1070161907 /nfs/dbraw/zinc/16/19/07/1070161907.db2.gz NVEOYWTUOQCAON-QWRGUYRKSA-N -1 0 419.481 -0.971 20 0 HBADRM Cc1ccc(S(=O)(=O)N2CCC(C(=O)[N-]S(=O)(=O)CC(N)=O)CC2)cc1 ZINC000766924770 1070162628 /nfs/dbraw/zinc/16/26/28/1070162628.db2.gz OIGYKJSXWMGHFI-UHFFFAOYSA-N -1 0 403.482 -0.673 20 0 HBADRM CCCn1c(=O)[nH]c(=O)c2c(C(=O)[N-]S(=O)(=O)CC(N)=O)cc(C3CC3)nc21 ZINC000766924771 1070162594 /nfs/dbraw/zinc/16/25/94/1070162594.db2.gz VWHPRRYAHIVIGZ-UHFFFAOYSA-N -1 0 409.424 -0.671 20 0 HBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000766924784 1070162609 /nfs/dbraw/zinc/16/26/09/1070162609.db2.gz VYDDIWNHQISTIE-JTQLQIEISA-N -1 0 407.445 -0.842 20 0 HBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000766924786 1070162597 /nfs/dbraw/zinc/16/25/97/1070162597.db2.gz VYDDIWNHQISTIE-SNVBAGLBSA-N -1 0 407.445 -0.842 20 0 HBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000766924918 1070162621 /nfs/dbraw/zinc/16/26/21/1070162621.db2.gz XCIVQAYSCHDGLJ-UHFFFAOYSA-N -1 0 403.482 -0.204 20 0 HBADRM C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc2)C1 ZINC000766925149 1070162634 /nfs/dbraw/zinc/16/26/34/1070162634.db2.gz YMOVSOGBCSGVIV-RYUDHWBXSA-N -1 0 417.509 -0.102 20 0 HBADRM C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc2)C1 ZINC000766925150 1070162631 /nfs/dbraw/zinc/16/26/31/1070162631.db2.gz YMOVSOGBCSGVIV-TXEJJXNPSA-N -1 0 417.509 -0.102 20 0 HBADRM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc2)C1 ZINC000766925151 1070162586 /nfs/dbraw/zinc/16/25/86/1070162586.db2.gz YMOVSOGBCSGVIV-VXGBXAGGSA-N -1 0 417.509 -0.102 20 0 HBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000766925165 1070161878 /nfs/dbraw/zinc/16/18/78/1070161878.db2.gz ZIHBVTYUZRRIAJ-UHFFFAOYSA-N -1 0 409.873 -0.331 20 0 HBADRM CSCC[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000766925466 1070162583 /nfs/dbraw/zinc/16/25/83/1070162583.db2.gz JBKOKAHADUBCJM-AXFHLTTASA-N -1 0 405.498 -0.785 20 0 HBADRM CSCC[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000766925469 1070162613 /nfs/dbraw/zinc/16/26/13/1070162613.db2.gz JBKOKAHADUBCJM-GARJFASQSA-N -1 0 405.498 -0.785 20 0 HBADRM CSCC[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000766925471 1070162573 /nfs/dbraw/zinc/16/25/73/1070162573.db2.gz JBKOKAHADUBCJM-GMTAPVOTSA-N -1 0 405.498 -0.785 20 0 HBADRM CSCC[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000766925474 1070162637 /nfs/dbraw/zinc/16/26/37/1070162637.db2.gz JBKOKAHADUBCJM-OUAUKWLOSA-N -1 0 405.498 -0.785 20 0 HBADRM COc1cc2c(cc1OC)CN(C(=O)CCC(=O)[N-]S(=O)(=O)CC(N)=O)CC2 ZINC000766925681 1070161770 /nfs/dbraw/zinc/16/17/70/1070161770.db2.gz RRLDZLBSIOEVMZ-UHFFFAOYSA-N -1 0 413.452 -0.700 20 0 HBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000766925810 1070163379 /nfs/dbraw/zinc/16/33/79/1070163379.db2.gz SVJVICJHFHBSOA-MRVPVSSYSA-N -1 0 404.242 -0.267 20 0 HBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000766925813 1070163417 /nfs/dbraw/zinc/16/34/17/1070163417.db2.gz SVJVICJHFHBSOA-QMMMGPOBSA-N -1 0 404.242 -0.267 20 0 HBADRM CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766926134 1070163473 /nfs/dbraw/zinc/16/34/73/1070163473.db2.gz GLUVVWONSCSYJR-GFCCVEGCSA-N -1 0 403.482 -0.765 20 0 HBADRM CSCC[C@H](NC(=O)COc1ccccc1)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766926137 1070163507 /nfs/dbraw/zinc/16/35/07/1070163507.db2.gz GLUVVWONSCSYJR-LBPRGKRZSA-N -1 0 403.482 -0.765 20 0 HBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000766926214 1070162563 /nfs/dbraw/zinc/16/25/63/1070162563.db2.gz HUJAIISDTMHVJG-UHFFFAOYSA-N -1 0 403.482 -0.665 20 0 HBADRM Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766926227 1070162604 /nfs/dbraw/zinc/16/26/04/1070162604.db2.gz KYZWABFRRQYVNZ-UHFFFAOYSA-N -1 0 413.271 -0.294 20 0 HBADRM C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc2)C[C@@H](C)O1 ZINC000766926283 1070162580 /nfs/dbraw/zinc/16/25/80/1070162580.db2.gz MEIIXSARNNXKIX-GHMZBOCLSA-N -1 0 419.481 -0.971 20 0 HBADRM C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc2)C[C@H](C)O1 ZINC000766926285 1070162624 /nfs/dbraw/zinc/16/26/24/1070162624.db2.gz MEIIXSARNNXKIX-PHIMTYICSA-N -1 0 419.481 -0.971 20 0 HBADRM C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc2)C[C@H](C)O1 ZINC000766926286 1070162602 /nfs/dbraw/zinc/16/26/02/1070162602.db2.gz MEIIXSARNNXKIX-QWRGUYRKSA-N -1 0 419.481 -0.971 20 0 HBADRM NC(=O)CS(=O)(=O)[N-]C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000766926498 1070162556 /nfs/dbraw/zinc/16/25/56/1070162556.db2.gz WEKCMYWRLUKSAF-UHFFFAOYSA-N -1 0 407.445 -0.842 20 0 HBADRM CCN(CC)S(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)ccc1OC ZINC000766926596 1070162590 /nfs/dbraw/zinc/16/25/90/1070162590.db2.gz XSPZYDYXQPICBT-UHFFFAOYSA-N -1 0 407.470 -0.729 20 0 HBADRM COc1ccc(S(=O)(=O)N(C)CCCC(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766926604 1070162616 /nfs/dbraw/zinc/16/26/16/1070162616.db2.gz YCWPNGYDWYTSCS-UHFFFAOYSA-N -1 0 407.470 -0.973 20 0 HBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000766926613 1070163448 /nfs/dbraw/zinc/16/34/48/1070163448.db2.gz YWGPNSUDUMWGKS-UHFFFAOYSA-N -1 0 422.444 -0.208 20 0 HBADRM CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000766926754 1070164285 /nfs/dbraw/zinc/16/42/85/1070164285.db2.gz ZZTWIAIEZJVNKY-UHFFFAOYSA-N -1 0 418.497 -0.918 20 0 HBADRM Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)C2)cc1 ZINC000766926970 1070163433 /nfs/dbraw/zinc/16/34/33/1070163433.db2.gz KRUFBCHJXXVILW-GFCCVEGCSA-N -1 0 403.482 -0.673 20 0 HBADRM NC(=O)CS(=O)(=O)[N-]C(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000766926971 1070163479 /nfs/dbraw/zinc/16/34/79/1070163479.db2.gz SKJJNSBEPZYICK-UHFFFAOYSA-N -1 0 402.479 -0.140 20 0 HBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000766926973 1070163399 /nfs/dbraw/zinc/16/33/99/1070163399.db2.gz SKYHVXYCFPIDQS-UHFFFAOYSA-N -1 0 413.524 -0.970 20 0 HBADRM Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)C2)cc1 ZINC000766926974 1070163367 /nfs/dbraw/zinc/16/33/67/1070163367.db2.gz KRUFBCHJXXVILW-LBPRGKRZSA-N -1 0 403.482 -0.673 20 0 HBADRM COc1ccc(S(=O)(=O)N2CCC(C(=O)[N-]S(=O)(=O)CC(N)=O)CC2)cc1 ZINC000766926982 1070163467 /nfs/dbraw/zinc/16/34/67/1070163467.db2.gz SMAMNXYHVXPPKO-UHFFFAOYSA-N -1 0 419.481 -0.973 20 0 HBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000766927082 1070163495 /nfs/dbraw/zinc/16/34/95/1070163495.db2.gz LOOVDKPSNQZSRK-UHFFFAOYSA-N -1 0 417.241 -0.520 20 0 HBADRM NC(=O)CS(=O)(=O)[N-]C(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000766927171 1070163459 /nfs/dbraw/zinc/16/34/59/1070163459.db2.gz JFPDXDMLCGAKKO-DHZHZOJOSA-N -1 0 415.493 -0.370 20 0 HBADRM NC(=O)CS(=O)(=O)[N-]C(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000766927172 1070163488 /nfs/dbraw/zinc/16/34/88/1070163488.db2.gz JFPDXDMLCGAKKO-FLIBITNWSA-N -1 0 415.493 -0.370 20 0 HBADRM Cc1ccc(S(=O)(=O)N2CCC(C(=O)[N-]S(=O)(=O)CC(N)=O)CC2)cc1C ZINC000766927185 1070163500 /nfs/dbraw/zinc/16/35/00/1070163500.db2.gz JQNYCLZYMJZKRH-UHFFFAOYSA-N -1 0 417.509 -0.365 20 0 HBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000766927245 1070163443 /nfs/dbraw/zinc/16/34/43/1070163443.db2.gz MMYLCGVKOLQILY-LLVKDONJSA-N -1 0 418.269 -0.015 20 0 HBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000766927246 1070163388 /nfs/dbraw/zinc/16/33/88/1070163388.db2.gz MMYLCGVKOLQILY-NSHDSACASA-N -1 0 418.269 -0.015 20 0 HBADRM CC1CCN(S(=O)(=O)c2ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)s2)CC1 ZINC000766927429 1070163353 /nfs/dbraw/zinc/16/33/53/1070163353.db2.gz VDCMKOUHNCQIHR-UHFFFAOYSA-N -1 0 409.511 -0.286 20 0 HBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000766927765 1070164328 /nfs/dbraw/zinc/16/43/28/1070164328.db2.gz NAUUZSUMNQIGAT-UHFFFAOYSA-N -1 0 400.416 -0.010 20 0 HBADRM COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766927824 1070164247 /nfs/dbraw/zinc/16/42/47/1070164247.db2.gz NQDZVAUEECSSGG-LLVKDONJSA-N -1 0 403.844 -0.116 20 0 HBADRM COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766927826 1070164296 /nfs/dbraw/zinc/16/42/96/1070164296.db2.gz NQDZVAUEECSSGG-NSHDSACASA-N -1 0 403.844 -0.116 20 0 HBADRM C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000766927829 1070164251 /nfs/dbraw/zinc/16/42/51/1070164251.db2.gz AYQZVKKIKXFRHU-LLVKDONJSA-N -1 0 403.482 -0.205 20 0 HBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000766927832 1070164276 /nfs/dbraw/zinc/16/42/76/1070164276.db2.gz NTEOPSSMBRUHPA-MRVPVSSYSA-N -1 0 404.242 -0.267 20 0 HBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000766927833 1070164240 /nfs/dbraw/zinc/16/42/40/1070164240.db2.gz NTEOPSSMBRUHPA-QMMMGPOBSA-N -1 0 404.242 -0.267 20 0 HBADRM C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000766927836 1070164340 /nfs/dbraw/zinc/16/43/40/1070164340.db2.gz AYQZVKKIKXFRHU-NSHDSACASA-N -1 0 403.482 -0.205 20 0 HBADRM CC(=O)N[C@H](CC(=O)[N-]S(=O)(=O)CC(N)=O)c1ccc(Br)cc1 ZINC000766927857 1070164209 /nfs/dbraw/zinc/16/42/09/1070164209.db2.gz OIKGBPDQDPQEGZ-LLVKDONJSA-N -1 0 406.258 -0.052 20 0 HBADRM CC(=O)N[C@@H](CC(=O)[N-]S(=O)(=O)CC(N)=O)c1ccc(Br)cc1 ZINC000766927858 1070164310 /nfs/dbraw/zinc/16/43/10/1070164310.db2.gz OIKGBPDQDPQEGZ-NSHDSACASA-N -1 0 406.258 -0.052 20 0 HBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000766927875 1070164273 /nfs/dbraw/zinc/16/42/73/1070164273.db2.gz OUQZIWWAHWRGSE-UHFFFAOYSA-N -1 0 417.509 -0.275 20 0 HBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000766927886 1070164184 /nfs/dbraw/zinc/16/41/84/1070164184.db2.gz OZBNMQOPRHYHFW-UHFFFAOYSA-N -1 0 418.225 -0.634 20 0 HBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000766928298 1070164281 /nfs/dbraw/zinc/16/42/81/1070164281.db2.gz SBUAABQDIDDLJZ-UHFFFAOYSA-N -1 0 409.873 -0.331 20 0 HBADRM CCN(CC)S(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)ccc1Cl ZINC000766928483 1070164319 /nfs/dbraw/zinc/16/43/19/1070164319.db2.gz RQCUBSVIFONRKV-UHFFFAOYSA-N -1 0 411.889 -0.085 20 0 HBADRM C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766928908 1070165067 /nfs/dbraw/zinc/16/50/67/1070165067.db2.gz WYFQEJGMMPTBQM-LLVKDONJSA-N -1 0 403.482 -0.205 20 0 HBADRM C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766928909 1070165030 /nfs/dbraw/zinc/16/50/30/1070165030.db2.gz WYFQEJGMMPTBQM-NSHDSACASA-N -1 0 403.482 -0.205 20 0 HBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000766929123 1070165153 /nfs/dbraw/zinc/16/51/53/1070165153.db2.gz KSSYNGMKELXIKR-UHFFFAOYSA-N -1 0 423.472 -0.017 20 0 HBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC000766929608 1070164219 /nfs/dbraw/zinc/16/42/19/1070164219.db2.gz NVZMNTONVGFIGD-JTQLQIEISA-N -1 0 405.379 -0.176 20 0 HBADRM 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/nfs/dbraw/zinc/39/61/06/1070396106.db2.gz PVNUCACXRPHAGE-WDEREUQCSA-N -1 0 407.470 -0.654 20 0 HBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC000788044683 1070396001 /nfs/dbraw/zinc/39/60/01/1070396001.db2.gz UOOOMCCGSVTRDO-NXEZZACHSA-N -1 0 417.465 -0.005 20 0 HBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC000788044687 1070395847 /nfs/dbraw/zinc/39/58/47/1070395847.db2.gz UOOOMCCGSVTRDO-UWVGGRQHSA-N -1 0 417.465 -0.005 20 0 HBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC000788044689 1070395984 /nfs/dbraw/zinc/39/59/84/1070395984.db2.gz UOOOMCCGSVTRDO-VHSXEESVSA-N -1 0 417.465 -0.005 20 0 HBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC000788044691 1070395810 /nfs/dbraw/zinc/39/58/10/1070395810.db2.gz UOOOMCCGSVTRDO-ZJUUUORDSA-N -1 0 417.465 -0.005 20 0 HBADRM CS(=O)(=O)c1nc(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)c2ccccn21 ZINC000788050812 1070396085 /nfs/dbraw/zinc/39/60/85/1070396085.db2.gz VWRZUTGDSLIJGU-UHFFFAOYSA-N -1 0 409.449 -0.001 20 0 HBADRM COC(=O)c1ccc(NS(=O)(=O)[N-]C(=O)c2cn(CC(=O)N(C)C)nn2)cc1 ZINC000788066772 1070397511 /nfs/dbraw/zinc/39/75/11/1070397511.db2.gz GRXJNZNATKEJCY-UHFFFAOYSA-N -1 0 410.412 -0.760 20 0 HBADRM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)s1 ZINC000788066904 1070397772 /nfs/dbraw/zinc/39/77/72/1070397772.db2.gz AWDNMNOQSQBBAN-PLNGDYQASA-N -1 0 413.437 -0.983 20 0 HBADRM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)s1 ZINC000788066908 1070397897 /nfs/dbraw/zinc/39/78/97/1070397897.db2.gz AWDNMNOQSQBBAN-SNAWJCMRSA-N -1 0 413.437 -0.983 20 0 HBADRM COC(=O)NCCc1ccc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)s1 ZINC000788082442 1070398418 /nfs/dbraw/zinc/39/84/18/1070398418.db2.gz FVMSXBXDHUZWDO-UHFFFAOYSA-N -1 0 403.442 -0.199 20 0 HBADRM COC(=O)NCCc1ccc(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)s1 ZINC000788083236 1070398118 /nfs/dbraw/zinc/39/81/18/1070398118.db2.gz QVPPVPVQMUDPJV-JTQLQIEISA-N -1 0 419.481 -0.142 20 0 HBADRM COC(=O)NCCc1ccc(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)s1 ZINC000788083237 1070398309 /nfs/dbraw/zinc/39/83/09/1070398309.db2.gz QVPPVPVQMUDPJV-SNVBAGLBSA-N -1 0 419.481 -0.142 20 0 HBADRM COC(=O)NCCc1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])s1 ZINC000788085956 1070398141 /nfs/dbraw/zinc/39/81/41/1070398141.db2.gz GLUJVODJLZGNMX-CCGUKBGLSA-N -1 0 410.495 -0.147 20 0 HBADRM COC(=O)NCCc1ccc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])s1 ZINC000788085957 1070398324 /nfs/dbraw/zinc/39/83/24/1070398324.db2.gz GLUJVODJLZGNMX-JUZXBQNTSA-N -1 0 410.495 -0.147 20 0 HBADRM COC(=O)NCCc1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])s1 ZINC000788085958 1070398231 /nfs/dbraw/zinc/39/82/31/1070398231.db2.gz GLUJVODJLZGNMX-VKTRGTBVSA-N -1 0 410.495 -0.147 20 0 HBADRM COC(=O)NCCc1ccc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])s1 ZINC000788085959 1070399166 /nfs/dbraw/zinc/39/91/66/1070399166.db2.gz GLUJVODJLZGNMX-ZZDSUILFSA-N -1 0 410.495 -0.147 20 0 HBADRM COC(=O)NCCc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)s1 ZINC000788086856 1070398182 /nfs/dbraw/zinc/39/81/82/1070398182.db2.gz NDBBBJSBKVPDDQ-GXSJLCMTSA-N -1 0 419.481 -0.014 20 0 HBADRM COC(=O)NCCc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)s1 ZINC000788086857 1070398280 /nfs/dbraw/zinc/39/82/80/1070398280.db2.gz NDBBBJSBKVPDDQ-KOLCDFICSA-N -1 0 419.481 -0.014 20 0 HBADRM COC(=O)NCCc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)s1 ZINC000788086858 1070398219 /nfs/dbraw/zinc/39/82/19/1070398219.db2.gz NDBBBJSBKVPDDQ-MWLCHTKSSA-N -1 0 419.481 -0.014 20 0 HBADRM COC(=O)NCCc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)s1 ZINC000788086859 1070398467 /nfs/dbraw/zinc/39/84/67/1070398467.db2.gz NDBBBJSBKVPDDQ-ONGXEEELSA-N -1 0 419.481 -0.014 20 0 HBADRM CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)cc1 ZINC000788146918 1070400847 /nfs/dbraw/zinc/40/08/47/1070400847.db2.gz DHOOTYVXIKXEDH-CYBMUJFWSA-N -1 0 424.508 -0.008 20 0 HBADRM CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)cc1 ZINC000788146920 1070400817 /nfs/dbraw/zinc/40/08/17/1070400817.db2.gz DHOOTYVXIKXEDH-ZDUSSCGKSA-N -1 0 424.508 -0.008 20 0 HBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)c1 ZINC000788149577 1070400654 /nfs/dbraw/zinc/40/06/54/1070400654.db2.gz POSYYGMSKVXOQT-LLVKDONJSA-N -1 0 401.474 -0.617 20 0 HBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCSC[C@H]2c2nnn[n-]2)c1 ZINC000788149578 1070400915 /nfs/dbraw/zinc/40/09/15/1070400915.db2.gz POSYYGMSKVXOQT-NSHDSACASA-N -1 0 401.474 -0.617 20 0 HBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000788150442 1070399591 /nfs/dbraw/zinc/39/95/91/1070399591.db2.gz WSPKFBFTNRXGAL-GXSJLCMTSA-N -1 0 414.517 -0.466 20 0 HBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC000788150453 1070399997 /nfs/dbraw/zinc/39/99/97/1070399997.db2.gz WSPKFBFTNRXGAL-KOLCDFICSA-N -1 0 414.517 -0.466 20 0 HBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000788150735 1070400879 /nfs/dbraw/zinc/40/08/79/1070400879.db2.gz WSPKFBFTNRXGAL-MWLCHTKSSA-N -1 0 414.517 -0.466 20 0 HBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC000788150736 1070400740 /nfs/dbraw/zinc/40/07/40/1070400740.db2.gz WSPKFBFTNRXGAL-ONGXEEELSA-N -1 0 414.517 -0.466 20 0 HBADRM CNS(=O)(=O)c1cc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)ccc1[O-] ZINC000788166124 1070404797 /nfs/dbraw/zinc/40/47/97/1070404797.db2.gz HNRXIHDPSBWGSZ-UHFFFAOYSA-N -1 0 412.449 -0.264 20 0 HBADRM COc1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)ccc1OCC(=O)NC(C)C ZINC000788175446 1070401668 /nfs/dbraw/zinc/40/16/68/1070401668.db2.gz BXKSOURAXQZNHG-UHFFFAOYSA-N -1 0 415.468 -0.206 20 0 HBADRM Cc1c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)nnn1-c1ccc2c(c1)OCCO2 ZINC000788175523 1070401483 /nfs/dbraw/zinc/40/14/83/1070401483.db2.gz DKBOCIBGWBPYOU-UHFFFAOYSA-N -1 0 409.424 -0.457 20 0 HBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000788175834 1070401741 /nfs/dbraw/zinc/40/17/41/1070401741.db2.gz JLXJZKZRVKQXGL-UHFFFAOYSA-N -1 0 406.482 -0.169 20 0 HBADRM Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000788175979 1070402212 /nfs/dbraw/zinc/40/22/12/1070402212.db2.gz FTABLWOLYCPDIC-UHFFFAOYSA-N -1 0 403.482 -0.369 20 0 HBADRM CCOc1ccc(S(=O)(=O)NCCC(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1 ZINC000788176018 1070401593 /nfs/dbraw/zinc/40/15/93/1070401593.db2.gz GBVROMAVVYFZCX-UHFFFAOYSA-N -1 0 421.497 -0.664 20 0 HBADRM CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)C1 ZINC000788176084 1070401527 /nfs/dbraw/zinc/40/15/27/1070401527.db2.gz HGOZAEZHVWGQOD-AWEZNQCLSA-N -1 0 410.452 -0.234 20 0 HBADRM CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)C1 ZINC000788176087 1070401428 /nfs/dbraw/zinc/40/14/28/1070401428.db2.gz HGOZAEZHVWGQOD-CQSZACIVSA-N -1 0 410.452 -0.234 20 0 HBADRM C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)C1=O ZINC000788176100 1070401452 /nfs/dbraw/zinc/40/14/52/1070401452.db2.gz HLMQCOPHYUCDHK-INIZCTEOSA-N -1 0 414.415 -0.825 20 0 HBADRM C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)C1=O ZINC000788176101 1070401651 /nfs/dbraw/zinc/40/16/51/1070401651.db2.gz HLMQCOPHYUCDHK-MRXNPFEDSA-N -1 0 414.415 -0.825 20 0 HBADRM CCOc1ccc(C(=O)NCC(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1OCC ZINC000788176114 1070402190 /nfs/dbraw/zinc/40/21/90/1070402190.db2.gz IGXIIRFVOWFILA-UHFFFAOYSA-N -1 0 415.468 -0.204 20 0 HBADRM COCCNS(=O)(=O)c1ccc(C)c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC000788176122 1070402262 /nfs/dbraw/zinc/40/22/62/1070402262.db2.gz IMJYNCBGVFLRDJ-UHFFFAOYSA-N -1 0 421.497 -0.885 20 0 HBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000788176376 1070401733 /nfs/dbraw/zinc/40/17/33/1070401733.db2.gz RHLOEZULPFHNRU-UHFFFAOYSA-N -1 0 411.889 -0.410 20 0 HBADRM Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000788176457 1070401579 /nfs/dbraw/zinc/40/15/79/1070401579.db2.gz KLWKOQQCKZSOPM-UHFFFAOYSA-N -1 0 420.513 -0.605 20 0 HBADRM CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC000788176518 1070401544 /nfs/dbraw/zinc/40/15/44/1070401544.db2.gz LOHPGJDQCHRKEC-UHFFFAOYSA-N -1 0 405.498 -0.089 20 0 HBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CNC(=O)c1ccc(Br)s1 ZINC000788176648 1070401633 /nfs/dbraw/zinc/40/16/33/1070401633.db2.gz MLJIPBIJNLTGHH-UHFFFAOYSA-N -1 0 412.287 -0.178 20 0 HBADRM CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1 ZINC000788176775 1070402280 /nfs/dbraw/zinc/40/22/80/1070402280.db2.gz NWJIDSMHGSPFSH-UHFFFAOYSA-N -1 0 405.498 -0.087 20 0 HBADRM CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1 ZINC000788176834 1070402384 /nfs/dbraw/zinc/40/23/84/1070402384.db2.gz ONKZEBQGUBHHMA-UHFFFAOYSA-N -1 0 419.481 -0.860 20 0 HBADRM Cc1c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cnn1CCO[C@H]1CCCCO1 ZINC000788176890 1070401406 /nfs/dbraw/zinc/40/14/06/1070401406.db2.gz PGSQIQDUSWJEHX-HNNXBMFYSA-N -1 0 402.473 -0.070 20 0 HBADRM 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/nfs/dbraw/zinc/81/07/64/1071810764.db2.gz OGROYGLPWVKXFG-UHFFFAOYSA-N -1 0 418.487 -0.027 20 0 HBADRM O=C(Cn1cnnn1)N1CCN(C(=O)c2ccc3c(=O)[nH]c(=S)[n-]c3c2)CC1 ZINC000917512297 1071811975 /nfs/dbraw/zinc/81/19/75/1071811975.db2.gz FBUFKUYWVUZTRR-UHFFFAOYSA-N -1 0 400.424 -0.405 20 0 HBADRM Cn1c(=O)c2ccc(C(=O)N3CCN(C(=O)Cn4cnnn4)CC3)cc2[n-]c1=S ZINC000917512702 1071812690 /nfs/dbraw/zinc/81/26/90/1071812690.db2.gz NNACPGIYVPYFMR-UHFFFAOYSA-N -1 0 414.451 -0.807 20 0 HBADRM CCN=c1nc2[n-]nc(SCC(=O)N[C@H](C)CN3CCOCC3)n2c(NCC)n1 ZINC000917516440 1071812727 /nfs/dbraw/zinc/81/27/27/1071812727.db2.gz BEFVXOMSNCKVPS-GFCCVEGCSA-N -1 0 423.547 -0.266 20 0 HBADRM CCN=c1nc2[n-]nc(SCC(=O)N[C@@H](C)CN3CCOCC3)n2c(NCC)n1 ZINC000917516441 1071812507 /nfs/dbraw/zinc/81/25/07/1071812507.db2.gz BEFVXOMSNCKVPS-LBPRGKRZSA-N -1 0 423.547 -0.266 20 0 HBADRM COC(=O)c1ccc(Br)c(S(=O)(=O)NCC(=O)NCC(=O)[O-])c1 ZINC000917721929 1071825025 /nfs/dbraw/zinc/82/50/25/1071825025.db2.gz MPOVFZRYKYXYCC-UHFFFAOYSA-N -1 0 409.214 -0.285 20 0 HBADRM COc1cc[nH]c(=NNS(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)n1 ZINC000917737331 1071824387 /nfs/dbraw/zinc/82/43/87/1071824387.db2.gz OAFNSXFVAYYVMV-INIZCTEOSA-N -1 0 422.423 -0.146 20 0 HBADRM COc1cc[nH]c(=NNS(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)n1 ZINC000917737332 1071824310 /nfs/dbraw/zinc/82/43/10/1071824310.db2.gz OAFNSXFVAYYVMV-MRXNPFEDSA-N -1 0 422.423 -0.146 20 0 HBADRM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000917850807 1071830491 /nfs/dbraw/zinc/83/04/91/1071830491.db2.gz OZHWFBILNPYSES-SECBINFHSA-N -1 0 410.495 -0.240 20 0 HBADRM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000917850808 1071830269 /nfs/dbraw/zinc/83/02/69/1071830269.db2.gz OZHWFBILNPYSES-VIFPVBQESA-N -1 0 410.495 -0.240 20 0 HBADRM COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc(OC)c(OC)c(C(=O)[O-])c1 ZINC000917857253 1071831168 /nfs/dbraw/zinc/83/11/68/1071831168.db2.gz LDZHZLMPMFERKM-LLVKDONJSA-N -1 0 416.408 -0.546 20 0 HBADRM COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1cc(OC)c(OC)c(C(=O)[O-])c1 ZINC000917857254 1071831147 /nfs/dbraw/zinc/83/11/47/1071831147.db2.gz LDZHZLMPMFERKM-NSHDSACASA-N -1 0 416.408 -0.546 20 0 HBADRM O=C([O-])c1cc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cs1 ZINC000917864323 1071830392 /nfs/dbraw/zinc/83/03/92/1071830392.db2.gz DMWPEOSDLXNYSA-UHFFFAOYSA-N -1 0 417.465 -0.862 20 0 HBADRM COc1cc(S(=O)(=O)NCCC(=O)N2CCOCC2)cc(C(=O)[O-])c1OC ZINC000917869369 1071831041 /nfs/dbraw/zinc/83/10/41/1071831041.db2.gz OQSJRSAOHMIEIU-UHFFFAOYSA-N -1 0 402.425 -0.071 20 0 HBADRM O=C([O-])c1cc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cs1 ZINC000917869591 1071830913 /nfs/dbraw/zinc/83/09/13/1071830913.db2.gz AAJCOZBWKXGDSX-UHFFFAOYSA-N -1 0 403.482 -0.389 20 0 HBADRM COc1cc(S(=O)(=O)NCCS(=O)(=O)NC2CC2)cc(C(=O)[O-])c1OC ZINC000917877357 1071831575 /nfs/dbraw/zinc/83/15/75/1071831575.db2.gz KSHVRLSPQTYZJL-UHFFFAOYSA-N -1 0 408.454 -0.238 20 0 HBADRM CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)CC1 ZINC000917878093 1071831636 /nfs/dbraw/zinc/83/16/36/1071831636.db2.gz PQEJAPNBXZSXKI-UHFFFAOYSA-N -1 0 417.509 -0.014 20 0 HBADRM COc1cc(S(=O)(=O)NCCCN(C)S(C)(=O)=O)cc(C(=O)[O-])c1OC ZINC000917893418 1071833303 /nfs/dbraw/zinc/83/33/03/1071833303.db2.gz SKSKKKIYMQDPBU-UHFFFAOYSA-N -1 0 410.470 -0.038 20 0 HBADRM Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C(=O)[O-] ZINC000917895150 1071831593 /nfs/dbraw/zinc/83/15/93/1071831593.db2.gz BRSVWELGEOYMLI-GFCCVEGCSA-N -1 0 418.493 -0.075 20 0 HBADRM Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1C(=O)[O-] ZINC000917895151 1071831707 /nfs/dbraw/zinc/83/17/07/1071831707.db2.gz BRSVWELGEOYMLI-LBPRGKRZSA-N -1 0 418.493 -0.075 20 0 HBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000917895162 1071831622 /nfs/dbraw/zinc/83/16/22/1071831622.db2.gz CLJIVIZBVKQYAI-LLVKDONJSA-N -1 0 420.465 -0.683 20 0 HBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000917895163 1071831717 /nfs/dbraw/zinc/83/17/17/1071831717.db2.gz CLJIVIZBVKQYAI-NSHDSACASA-N -1 0 420.465 -0.683 20 0 HBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000917895186 1071831607 /nfs/dbraw/zinc/83/16/07/1071831607.db2.gz DRBVMYWFIQISTI-SECBINFHSA-N -1 0 408.429 -0.552 20 0 HBADRM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000917895187 1071831728 /nfs/dbraw/zinc/83/17/28/1071831728.db2.gz DRBVMYWFIQISTI-VIFPVBQESA-N -1 0 408.429 -0.552 20 0 HBADRM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000917895192 1071832226 /nfs/dbraw/zinc/83/22/26/1071832226.db2.gz DYRRTQNQBAJLSQ-JTQLQIEISA-N -1 0 420.465 -0.677 20 0 HBADRM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000917895193 1071832287 /nfs/dbraw/zinc/83/22/87/1071832287.db2.gz DYRRTQNQBAJLSQ-SNVBAGLBSA-N -1 0 420.465 -0.677 20 0 HBADRM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000917895225 1071832343 /nfs/dbraw/zinc/83/23/43/1071832343.db2.gz HFNBRTSIDSJYQO-CYBMUJFWSA-N -1 0 418.493 -0.129 20 0 HBADRM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000917895226 1071832259 /nfs/dbraw/zinc/83/22/59/1071832259.db2.gz HFNBRTSIDSJYQO-ZDUSSCGKSA-N -1 0 418.493 -0.129 20 0 HBADRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c1C ZINC000917895254 1071832170 /nfs/dbraw/zinc/83/21/70/1071832170.db2.gz HOLAIEOLCSHXQN-CYBMUJFWSA-N -1 0 418.493 -0.075 20 0 HBADRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c1C ZINC000917895255 1071832305 /nfs/dbraw/zinc/83/23/05/1071832305.db2.gz HOLAIEOLCSHXQN-ZDUSSCGKSA-N -1 0 418.493 -0.075 20 0 HBADRM Cc1cc(C)c(S(=O)(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C(=O)[O-] ZINC000917895272 1071832135 /nfs/dbraw/zinc/83/21/35/1071832135.db2.gz IFXVQNNCKXRCTM-GFCCVEGCSA-N -1 0 418.493 -0.027 20 0 HBADRM Cc1cc(C)c(S(=O)(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1C(=O)[O-] ZINC000917895274 1071832296 /nfs/dbraw/zinc/83/22/96/1071832296.db2.gz IFXVQNNCKXRCTM-LBPRGKRZSA-N -1 0 418.493 -0.027 20 0 HBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000917895344 1071832094 /nfs/dbraw/zinc/83/20/94/1071832094.db2.gz LADBXDFZHMJIGW-GFCCVEGCSA-N -1 0 404.466 -0.383 20 0 HBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000917895345 1071832277 /nfs/dbraw/zinc/83/22/77/1071832277.db2.gz LADBXDFZHMJIGW-LBPRGKRZSA-N -1 0 404.466 -0.383 20 0 HBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000917895354 1071832152 /nfs/dbraw/zinc/83/21/52/1071832152.db2.gz LGOZTQGAGJZBQG-CYBMUJFWSA-N -1 0 418.493 -0.372 20 0 HBADRM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000917895355 1071832333 /nfs/dbraw/zinc/83/23/33/1071832333.db2.gz LGOZTQGAGJZBQG-ZDUSSCGKSA-N -1 0 418.493 -0.372 20 0 HBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000917895522 1071832202 /nfs/dbraw/zinc/83/22/02/1071832202.db2.gz SAWHTEOWEPHMJJ-SECBINFHSA-N -1 0 406.438 -0.986 20 0 HBADRM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000917895523 1071832315 /nfs/dbraw/zinc/83/23/15/1071832315.db2.gz SAWHTEOWEPHMJJ-VIFPVBQESA-N -1 0 406.438 -0.986 20 0 HBADRM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000917895636 1071832903 /nfs/dbraw/zinc/83/29/03/1071832903.db2.gz SWEWLEGJQAEKQO-JTQLQIEISA-N -1 0 408.429 -0.552 20 0 HBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000917895637 1071832846 /nfs/dbraw/zinc/83/28/46/1071832846.db2.gz SWEWLEGJQAEKQO-SNVBAGLBSA-N -1 0 408.429 -0.552 20 0 HBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000917895647 1071832834 /nfs/dbraw/zinc/83/28/34/1071832834.db2.gz UJJWOGUYQYKBON-LLVKDONJSA-N -1 0 420.465 -0.926 20 0 HBADRM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000917895648 1071832879 /nfs/dbraw/zinc/83/28/79/1071832879.db2.gz UJJWOGUYQYKBON-NSHDSACASA-N -1 0 420.465 -0.926 20 0 HBADRM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000917895650 1071832821 /nfs/dbraw/zinc/83/28/21/1071832821.db2.gz UMOCGLMWSLOTIV-JTQLQIEISA-N -1 0 424.884 -0.038 20 0 HBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000917895651 1071832865 /nfs/dbraw/zinc/83/28/65/1071832865.db2.gz UMOCGLMWSLOTIV-SNVBAGLBSA-N -1 0 424.884 -0.038 20 0 HBADRM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000917895659 1071832852 /nfs/dbraw/zinc/83/28/52/1071832852.db2.gz VJPWCPKRIWAWFW-CYBMUJFWSA-N -1 0 418.493 -0.081 20 0 HBADRM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000917895660 1071832892 /nfs/dbraw/zinc/83/28/92/1071832892.db2.gz VJPWCPKRIWAWFW-ZDUSSCGKSA-N -1 0 418.493 -0.081 20 0 HBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000917895708 1071832839 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/nfs/dbraw/zinc/30/25/97/1071302597.db2.gz KAQBCRYVZVXBRK-QMABLASFSA-N -1 0 400.384 -0.024 20 0 HBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001178986661 1071305636 /nfs/dbraw/zinc/30/56/36/1071305636.db2.gz NZWVNERMLFKIDW-LLVKDONJSA-N -1 0 424.439 -0.750 20 0 HBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001178986662 1071305469 /nfs/dbraw/zinc/30/54/69/1071305469.db2.gz NZWVNERMLFKIDW-NSHDSACASA-N -1 0 424.439 -0.750 20 0 HBADRM COC(=O)C12CCC(C(=O)n3c(N)c(N)c(OS(=O)(=O)[O-])nc3=N)(CC1)CC2 ZINC001178999036 1071306133 /nfs/dbraw/zinc/30/61/33/1071306133.db2.gz LCUCMTBEZXMODU-UHFFFAOYSA-N -1 0 415.428 -0.138 20 0 HBADRM C[C@H]1[C@H](NC(=O)[C@@]2(C)CCN(C(=O)OC(C)(C)C)C[C@H]2O)C(=O)N1S(=O)(=O)[O-] ZINC001179064251 1071309577 /nfs/dbraw/zinc/30/95/77/1071309577.db2.gz PYLDGRPLSGVFAX-BBKSZCTCSA-N -1 0 421.472 -0.487 20 0 HBADRM C[C@H]1[C@H](NC(=O)[C@]2(C)CCN(C(=O)OC(C)(C)C)C[C@H]2O)C(=O)N1S(=O)(=O)[O-] ZINC001179064252 1071309620 /nfs/dbraw/zinc/30/96/20/1071309620.db2.gz PYLDGRPLSGVFAX-QUIZZNFMSA-N -1 0 421.472 -0.487 20 0 HBADRM C[C@H]1[C@H](NC(=O)[C@@]2(C)CCN(C(=O)OC(C)(C)C)C[C@@H]2O)C(=O)N1S(=O)(=O)[O-] ZINC001179064253 1071309460 /nfs/dbraw/zinc/30/94/60/1071309460.db2.gz PYLDGRPLSGVFAX-YPIXOSSWSA-N -1 0 421.472 -0.487 20 0 HBADRM C[C@H]1[C@H](NC(=O)[C@]2(C)CCN(C(=O)OC(C)(C)C)C[C@@H]2O)C(=O)N1S(=O)(=O)[O-] ZINC001179064254 1071309476 /nfs/dbraw/zinc/30/94/76/1071309476.db2.gz PYLDGRPLSGVFAX-ZGNZKYAMSA-N -1 0 421.472 -0.487 20 0 HBADRM C[C@H]1[C@H](NC(=O)[C@@]23COC[C@@H]2CN(C(=O)OC(C)(C)C)C3)C(=O)N1S(=O)(=O)[O-] ZINC001179148247 1071310986 /nfs/dbraw/zinc/31/09/86/1071310986.db2.gz SRPSOFXHMZOOIE-YPIXOSSWSA-N -1 0 419.456 -0.612 20 0 HBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H]1NC(=O)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001179220183 1071313368 /nfs/dbraw/zinc/31/33/68/1071313368.db2.gz FLBDLOWLQMSOKB-GWCFXTLKSA-N -1 0 413.427 -0.365 20 0 HBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H]1NC(=O)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001179220184 1071313441 /nfs/dbraw/zinc/31/34/41/1071313441.db2.gz FLBDLOWLQMSOKB-GXFFZTMASA-N -1 0 413.427 -0.365 20 0 HBADRM C[C@H]1[C@H](NC(=O)C2=NO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)C(=O)N1S(=O)(=O)[O-] ZINC001179229251 1071314340 /nfs/dbraw/zinc/31/43/40/1071314340.db2.gz IIPPWKCECIEPHO-QEYWKRMJSA-N -1 0 418.428 -0.874 20 0 HBADRM CC(C)(C)OC(=O)N1CC2(C1)[C@@H](C(=O)NCC(=O)CCC(=O)[O-])CCS2(=O)=O ZINC001179361971 1071317847 /nfs/dbraw/zinc/31/78/47/1071317847.db2.gz CLPPRLXOTLQXCT-GFCCVEGCSA-N -1 0 418.468 -0.039 20 0 HBADRM CC(C)(C)OC(=O)N1CC2(C1)[C@H](C(=O)NCC(=O)CCC(=O)[O-])CCS2(=O)=O ZINC001179361972 1071317918 /nfs/dbraw/zinc/31/79/18/1071317918.db2.gz CLPPRLXOTLQXCT-LBPRGKRZSA-N -1 0 418.468 -0.039 20 0 HBADRM CC(C)(C)OC(=O)N1CC2(C1)[C@H](C(=O)N[C@@H]1SC(=O)[N-]C1=O)CCS2(=O)=O ZINC001179363021 1071319104 /nfs/dbraw/zinc/31/91/04/1071319104.db2.gz SXIONMOYZRBTHQ-GZMMTYOYSA-N -1 0 419.481 -0.164 20 0 HBADRM CC(C)(C)OC(=O)N1CC2(C1)[C@@H](C(=O)N[C@H]1SC(=O)[N-]C1=O)CCS2(=O)=O ZINC001179363022 1071319044 /nfs/dbraw/zinc/31/90/44/1071319044.db2.gz SXIONMOYZRBTHQ-KCJUWKMLSA-N -1 0 419.481 -0.164 20 0 HBADRM CC(C)(C)OC(=O)N1CC2(C1)[C@H](C(=O)N[C@H]1SC(=O)[N-]C1=O)CCS2(=O)=O ZINC001179363023 1071318962 /nfs/dbraw/zinc/31/89/62/1071318962.db2.gz SXIONMOYZRBTHQ-KWQFWETISA-N -1 0 419.481 -0.164 20 0 HBADRM CC(C)(C)OC(=O)N1CC2(C1)[C@@H](C(=O)N[C@@H]1SC(=O)[N-]C1=O)CCS2(=O)=O ZINC001179363024 1071319392 /nfs/dbraw/zinc/31/93/92/1071319392.db2.gz SXIONMOYZRBTHQ-LDYMZIIASA-N -1 0 419.481 -0.164 20 0 HBADRM CC(C)(C)OC(=O)N1CC2(C1)[C@@H](C(=O)NCc1n[nH]c(=O)[n-]1)CCS2(=O)=O ZINC001179363697 1071319318 /nfs/dbraw/zinc/31/93/18/1071319318.db2.gz OLQMDVVTFNWUDZ-SECBINFHSA-N -1 0 401.445 -0.449 20 0 HBADRM CC(C)(C)OC(=O)N1CC2(C1)[C@H](C(=O)NCc1n[nH]c(=O)[n-]1)CCS2(=O)=O ZINC001179363698 1071319597 /nfs/dbraw/zinc/31/95/97/1071319597.db2.gz OLQMDVVTFNWUDZ-VIFPVBQESA-N -1 0 401.445 -0.449 20 0 HBADRM C[C@H]1[C@H](NC(=O)[C@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)C(=O)N1S(=O)(=O)[O-] ZINC001179372810 1071320163 /nfs/dbraw/zinc/32/01/63/1071320163.db2.gz ZFFOSBAHJNNADH-MJDLHHQISA-N -1 0 419.456 -0.613 20 0 HBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)c1 ZINC001179414621 1071321194 /nfs/dbraw/zinc/32/11/94/1071321194.db2.gz NTZLAXCTBNJUCH-LLVKDONJSA-N -1 0 406.482 -0.472 20 0 HBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCO[C@H](CS(C)(=O)=O)C2)c1 ZINC001179414622 1071321104 /nfs/dbraw/zinc/32/11/04/1071321104.db2.gz NTZLAXCTBNJUCH-NSHDSACASA-N -1 0 406.482 -0.472 20 0 HBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@H]1C[C@]12c1ccccc1NC2=O ZINC001179421965 1071321640 /nfs/dbraw/zinc/32/16/40/1071321640.db2.gz RAUXYDJXLCVFOH-MLXNANBUSA-N -1 0 406.380 -0.741 20 0 HBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12 ZINC001179431555 1071320745 /nfs/dbraw/zinc/32/07/45/1071320745.db2.gz BBPXCCAWEQLAMB-AFBRZQFHSA-N -1 0 411.418 -0.062 20 0 HBADRM C[C@H]1[C@H](NC(=O)[C@@]23C[C@@H](CO2)N(C(=O)OC(C)(C)C)C3)C(=O)N1S(=O)(=O)[O-] ZINC001179540719 1071323176 /nfs/dbraw/zinc/32/31/76/1071323176.db2.gz WFEKBJYIYDNWQH-WSHGPQCASA-N -1 0 405.429 -0.717 20 0 HBADRM C[C@H]1[C@H](NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)[C@@H]3CCO[C@@H]32)C(=O)N1S(=O)(=O)[O-] ZINC001179550109 1071323385 /nfs/dbraw/zinc/32/33/85/1071323385.db2.gz HIDZTJZCAQTZRU-HHHUOAJASA-N -1 0 419.456 -0.471 20 0 HBADRM C[C@@H](C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N)N(C)C(=O)OC(C)(C)C ZINC001179590669 1071323422 /nfs/dbraw/zinc/32/34/22/1071323422.db2.gz BNMUXSSPJAQCQV-LURJTMIESA-N -1 0 406.421 -0.396 20 0 HBADRM Cn1[n-]c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc1=O ZINC001179732996 1071325776 /nfs/dbraw/zinc/32/57/76/1071325776.db2.gz BMZSPWICUAXATB-NEPJUHHUSA-N -1 0 400.457 -0.016 20 0 HBADRM C[C@H]1[C@H](NC(=O)C2(O)CCN(C(=O)OC(C)(C)C)CC2)C(=O)N1S(=O)(=O)[O-] ZINC001179747146 1071326280 /nfs/dbraw/zinc/32/62/80/1071326280.db2.gz PYYDGWZOHGSMBM-UWVGGRQHSA-N -1 0 407.445 -0.733 20 0 HBADRM Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[N-]C(=O)C(F)(F)C(F)(F)Cl)c(=O)n1 ZINC001179781827 1071326225 /nfs/dbraw/zinc/32/62/25/1071326225.db2.gz RNRAKVNPISZLMK-XVFCMESISA-N -1 0 404.704 -0.730 20 0 HBADRM CS(=O)(=O)c1cccc(CC(=O)NCCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c1 ZINC001180007742 1071330080 /nfs/dbraw/zinc/33/00/80/1071330080.db2.gz HMJWDIIALYHSDD-HNNXBMFYSA-N -1 0 422.463 -0.326 20 0 HBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)CCC(=O)N1CCc2ccccc21 ZINC001180021218 1071329952 /nfs/dbraw/zinc/32/99/52/1071329952.db2.gz UUDVHMFFHGJKAB-UHFFFAOYSA-N -1 0 422.423 -0.282 20 0 HBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)CN1C(=O)C(=O)c2ccccc21 ZINC001180053564 1071330558 /nfs/dbraw/zinc/33/05/58/1071330558.db2.gz FEANKXRJOYOSCU-ZDUSSCGKSA-N -1 0 413.390 -0.743 20 0 HBADRM C[C@H]1[C@H](NC(=O)CCCC(=O)N2CC(=O)Nc3ccccc32)C(=O)N1S(=O)(=O)[O-] ZINC001180101865 1071331243 /nfs/dbraw/zinc/33/12/43/1071331243.db2.gz WKWGMOXVLWQTFD-QFYYESIMSA-N -1 0 424.435 -0.340 20 0 HBADRM COc1cc(CCC(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc(OC)c1 ZINC001180133124 1071331419 /nfs/dbraw/zinc/33/14/19/1071331419.db2.gz PWHOHWRRQUTUAN-UHFFFAOYSA-N -1 0 413.412 -0.001 20 0 HBADRM COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)C(F)(F)C(F)(F)C(=O)[O-])C1 ZINC001180171849 1071331279 /nfs/dbraw/zinc/33/12/79/1071331279.db2.gz COHWLXYBBKZGLQ-SECBINFHSA-N -1 0 410.324 -0.041 20 0 HBADRM COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)C(F)(F)C(F)(F)C(=O)[O-])C1 ZINC001180171850 1071331314 /nfs/dbraw/zinc/33/13/14/1071331314.db2.gz COHWLXYBBKZGLQ-VIFPVBQESA-N -1 0 410.324 -0.041 20 0 HBADRM CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)C(F)(F)C(F)(F)C(=O)[O-])C[C@H]2C1 ZINC001180172362 1071331340 /nfs/dbraw/zinc/33/13/40/1071331340.db2.gz UZYFXNKVTVRUCV-BDAKNGLRSA-N -1 0 405.370 -0.072 20 0 HBADRM Cc1cn([C@H]2C[C@H](NC(=O)C(F)(F)C(F)(F)C(=O)[O-])[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001180176562 1071331363 /nfs/dbraw/zinc/33/13/63/1071331363.db2.gz GQTQGBOWRUHYMG-XLPZGREQSA-N -1 0 413.280 -0.623 20 0 HBADRM NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(F)(F)C(F)(F)C(=O)[O-] ZINC001180180909 1071331474 /nfs/dbraw/zinc/33/14/74/1071331474.db2.gz XBTCYZBWIIOZRR-IUCAKERBSA-N -1 0 423.323 -0.732 20 0 HBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC001180192291 1071332566 /nfs/dbraw/zinc/33/25/66/1071332566.db2.gz AVCWKKHEDFWUFK-UHFFFAOYSA-N -1 0 407.368 -0.760 20 0 HBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC001180200160 1071331713 /nfs/dbraw/zinc/33/17/13/1071331713.db2.gz DQKCZVGLAGQVSH-HNNXBMFYSA-N -1 0 412.406 -0.081 20 0 HBADRM CS(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)CCC(=O)N2CCNC(=O)CC2)cc1 ZINC001180268026 1071335157 /nfs/dbraw/zinc/33/51/57/1071335157.db2.gz DSEKEURYTPMKRN-UHFFFAOYSA-N -1 0 424.479 -0.628 20 0 HBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)CN1C[C@@H](c2ccccc2)CC1=O ZINC001180301623 1071336361 /nfs/dbraw/zinc/33/63/61/1071336361.db2.gz COSZIYSTHDBVHU-JTQLQIEISA-N -1 0 422.423 -0.635 20 0 HBADRM 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CNS(=O)(=O)CCNC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1[O-] ZINC001183426777 1071459104 /nfs/dbraw/zinc/45/91/04/1071459104.db2.gz UGOVFJZBMCUKSX-UHFFFAOYSA-N -1 0 400.844 -0.011 20 0 HBADRM O=C(CNC(=O)c1nc(Cl)c2ccccc2c1[O-])N1CC(N2CCNC(=O)C2)C1 ZINC001183426911 1071459082 /nfs/dbraw/zinc/45/90/82/1071459082.db2.gz YJSLAQGMEDMIBX-UHFFFAOYSA-N -1 0 417.853 -0.034 20 0 HBADRM COC(=O)CNC(=O)CNC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1[O-] ZINC001183428835 1071458981 /nfs/dbraw/zinc/45/89/81/1071458981.db2.gz NRHIXSQTZVLQCE-UHFFFAOYSA-N -1 0 408.798 -0.271 20 0 HBADRM C[C@@H](O)[C@H]1C(=O)N2C(C(=O)N=c3ncnc4[nH][nH]cc3-4)=C([C@H]3CCCO3)S[C@H]12 ZINC001183454388 1071459824 /nfs/dbraw/zinc/45/98/24/1071459824.db2.gz JFNVPRLNPKKKPJ-IUZIVALPSA-N -1 0 402.436 -0.032 20 0 HBADRM C[C@@H](O)[C@H]1C(=O)N2C(C(=O)Nc3c(N)[nH]c(=O)[nH]c3=O)=C([C@H]3CCCO3)S[C@H]12 ZINC001183454665 1071459639 /nfs/dbraw/zinc/45/96/39/1071459639.db2.gz LEFDJOBPMYLTMN-JGYRMORNSA-N -1 0 409.424 -0.289 20 0 HBADRM 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C[C@H]1[C@H](NC(=O)[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C(=O)N1S(=O)(=O)[O-] ZINC001184025130 1071483870 /nfs/dbraw/zinc/48/38/70/1071483870.db2.gz KBLWUMMQWCRJFR-GUBZILKMSA-N -1 0 407.445 -0.123 20 0 HBADRM COC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CC[C@@H]2NC(=O)[C@H](C)NC2=O)cc1 ZINC001184090737 1071488952 /nfs/dbraw/zinc/48/89/52/1071488952.db2.gz JBCOPGZFVKLKEE-CABZTGNLSA-N -1 0 412.424 -0.547 20 0 HBADRM C[C@@H]1NC(=O)[C@H](CCC(=O)Nc2ccc(CC(=O)[N-]S(C)(=O)=O)cc2)NC1=O ZINC001184090743 1071488889 /nfs/dbraw/zinc/48/88/89/1071488889.db2.gz JFJBMFXCBVBBAF-GWCFXTLKSA-N -1 0 410.452 -0.973 20 0 HBADRM C[C@@H]1NC(=O)[C@H](CCC(=O)Nc2cccc3c(=O)cc(-c4nnn[n-]4)oc23)NC1=O ZINC001184091303 1071488916 /nfs/dbraw/zinc/48/89/16/1071488916.db2.gz WACNAWUZHDWJRY-KWQFWETISA-N -1 0 411.378 -0.305 20 0 HBADRM O=C(C=C([O-])c1ccc(Cl)cc1)CCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001184118815 1071489532 /nfs/dbraw/zinc/48/95/32/1071489532.db2.gz GWXLXTBAAVCZNL-FGTAOJJYSA-N -1 0 415.826 -0.822 20 0 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Cc1nc(I)oc1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001184655113 1071500393 /nfs/dbraw/zinc/50/03/93/1071500393.db2.gz PQPTUOZZUMVTQU-WHFBIAKZSA-N -1 0 415.165 -0.280 20 0 HBADRM Cc1cccc(-n2cnc(C(=O)n3c(N)c(N)c(OS(=O)(=O)[O-])nc3=N)n2)c1 ZINC001184666342 1071500473 /nfs/dbraw/zinc/50/04/73/1071500473.db2.gz JMCYMEOVVNMXQU-UHFFFAOYSA-N -1 0 406.384 -0.714 20 0 HBADRM Cc1ccc(S(=O)(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1C(=O)[O-] ZINC001184715833 1071500239 /nfs/dbraw/zinc/50/02/39/1071500239.db2.gz AHBKZFSJMSLUJC-UHFFFAOYSA-N -1 0 405.498 -0.451 20 0 HBADRM Cc1ccc(S(=O)(=O)NCCNC(=O)Cn2cc(C)c(=O)[nH]c2=O)cc1C(=O)[O-] ZINC001184720265 1071501038 /nfs/dbraw/zinc/50/10/38/1071501038.db2.gz DSMLRUWBQXZRAA-UHFFFAOYSA-N -1 0 424.435 -0.641 20 0 HBADRM N[C@@H]1NCN(C(=O)[C@H](CC(=O)[O-])Sc2nc3ccccc3s2)[C@@H]2NCN[C@@H]21 ZINC001184748801 1071501208 /nfs/dbraw/zinc/50/12/08/1071501208.db2.gz KBQWRHJZGHBNPC-ASEORRQLSA-N -1 0 408.509 -0.249 20 0 HBADRM N[C@@H]1NCN(C(=O)[C@H](CC(=O)[O-])Sc2nc3ccccc3s2)[C@@H]2NCN[C@H]21 ZINC001184748802 1071501100 /nfs/dbraw/zinc/50/11/00/1071501100.db2.gz KBQWRHJZGHBNPC-DEQVHRJGSA-N -1 0 408.509 -0.249 20 0 HBADRM N[C@@H]1NCN(C(=O)[C@H](CC(=O)[O-])Sc2nc3ccccc3s2)[C@H]2NCN[C@@H]21 ZINC001184748803 1071500898 /nfs/dbraw/zinc/50/08/98/1071500898.db2.gz KBQWRHJZGHBNPC-IGHBBLSQSA-N -1 0 408.509 -0.249 20 0 HBADRM N[C@@H]1NCN(C(=O)[C@H](CC(=O)[O-])Sc2nc3ccccc3s2)[C@H]2NCN[C@H]21 ZINC001184748804 1071500942 /nfs/dbraw/zinc/50/09/42/1071500942.db2.gz KBQWRHJZGHBNPC-SCUASFONSA-N -1 0 408.509 -0.249 20 0 HBADRM CCOC(=O)c1sc(S(=O)(=O)[N-]CCNC(=O)N2CCOCC2)nc1C ZINC001184977597 1071504111 /nfs/dbraw/zinc/50/41/11/1071504111.db2.gz IHOFTFDIOMNNLI-UHFFFAOYSA-N -1 0 406.486 -0.052 20 0 HBADRM CCOC(=O)c1sc(S(=O)(=O)[N-]CCOCCN2C(=O)C=CC2=O)nc1C ZINC001184987037 1071504624 /nfs/dbraw/zinc/50/46/24/1071504624.db2.gz RPOYIYFHMSAVRZ-UHFFFAOYSA-N -1 0 417.465 -0.152 20 0 HBADRM CCOC(=O)c1sc(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)NCC(N)=O)nc1C ZINC001184988117 1071504607 /nfs/dbraw/zinc/50/46/07/1071504607.db2.gz RVZFECNTBKPINH-JTQLQIEISA-N -1 0 420.513 -0.077 20 0 HBADRM CCOC(=O)c1sc(S(=O)(=O)[N-]CCN2CCS(=O)(=O)CC2)nc1C ZINC001184988619 1071504705 /nfs/dbraw/zinc/50/47/05/1071504705.db2.gz GFNKXDITSYNGIN-UHFFFAOYSA-N -1 0 411.527 -0.363 20 0 HBADRM CCOC(=O)c1sc(S(=O)(=O)[N-][C@@H](C)C(=O)N[C@@H](C)C(=O)OC)nc1C ZINC001184989646 1071504757 /nfs/dbraw/zinc/50/47/57/1071504757.db2.gz WVRGNAGMHWDWDY-IUCAKERBSA-N -1 0 407.470 -0.027 20 0 HBADRM CCOC(=O)c1sc(S(=O)(=O)[N-][C@@H](C)C(=O)N[C@H](C(N)=O)C(C)C)nc1C ZINC001184995877 1071504724 /nfs/dbraw/zinc/50/47/24/1071504724.db2.gz GUULSPWZAASTAL-UWVGGRQHSA-N -1 0 420.513 -0.079 20 0 HBADRM O=S(=O)([N-]c1ccnc2c(N(CCO)CCO)cnn21)c1cnc(Cl)nc1 ZINC001185008339 1071503989 /nfs/dbraw/zinc/50/39/89/1071503989.db2.gz DUEFDGGIRMMUPH-UHFFFAOYSA-N -1 0 413.847 -0.236 20 0 HBADRM CSc1ncc([O-])c(C(=O)Nc2ccnc3c(N(CCO)CCO)cnn32)n1 ZINC001185166375 1071506515 /nfs/dbraw/zinc/50/65/15/1071506515.db2.gz HZKCOQSEAAIAKL-UHFFFAOYSA-N -1 0 405.440 -0.010 20 0 HBADRM CSc1ncc([O-])c(C(=O)N2CCn3c(COCC(=O)N(C)C)nnc3C2)n1 ZINC001185176530 1071506575 /nfs/dbraw/zinc/50/65/75/1071506575.db2.gz HXKQBTDJWQPISX-UHFFFAOYSA-N -1 0 407.456 -0.244 20 0 HBADRM CSc1ncc([O-])c(C(=O)N[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)n1 ZINC001185187983 1071506621 /nfs/dbraw/zinc/50/66/21/1071506621.db2.gz QVXFDWIYGFYHIW-JMJZKYOTSA-N -1 0 409.424 -0.447 20 0 HBADRM CSc1ncc([O-])c(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(N)=O)n1 ZINC001185196924 1071507623 /nfs/dbraw/zinc/50/76/23/1071507623.db2.gz JWOPRMGLYONFHJ-QWRGUYRKSA-N -1 0 419.467 -0.555 20 0 HBADRM CN(Cc1ccccc1)[C@@H](CO)C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001185240481 1071507854 /nfs/dbraw/zinc/50/78/54/1071507854.db2.gz IGHOAKBMXJLVJO-IRXDYDNUSA-N -1 0 417.466 -0.479 20 0 HBADRM CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3cc([O-])cc(F)c3)CC2)CC1 ZINC001185280674 1071511344 /nfs/dbraw/zinc/51/13/44/1071511344.db2.gz PEYZYOPPADENRS-UHFFFAOYSA-N -1 0 422.504 -0.670 20 0 HBADRM CNC(=O)CN1CCO[C@H]2CN(S(=O)(=O)c3ccc(OC)c(C(=O)[O-])c3)C[C@H]21 ZINC001185286697 1071511241 /nfs/dbraw/zinc/51/12/41/1071511241.db2.gz DZLDAZFFTPCRIH-HIFRSBDPSA-N -1 0 413.452 -0.787 20 0 HBADRM COc1ccc(S(=O)(=O)N2CCn3c(CNC(C)=O)nnc3C2)cc1C(=O)[O-] ZINC001185287225 1071511554 /nfs/dbraw/zinc/51/15/54/1071511554.db2.gz MHPOMUABPRIAQO-UHFFFAOYSA-N -1 0 409.424 -0.175 20 0 HBADRM CCOC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC001185288047 1071511492 /nfs/dbraw/zinc/51/14/92/1071511492.db2.gz HBUAYXIJJDJAGG-GFCCVEGCSA-N -1 0 400.409 -0.164 20 0 HBADRM CCOC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC001185288056 1071511325 /nfs/dbraw/zinc/51/13/25/1071511325.db2.gz HBUAYXIJJDJAGG-LBPRGKRZSA-N -1 0 400.409 -0.164 20 0 HBADRM COc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CNC(=O)CN3C(C)=O)cc1C(=O)[O-] ZINC001185288429 1071511309 /nfs/dbraw/zinc/51/13/09/1071511309.db2.gz OZMXLHBDIYSVGJ-KRWDZBQOSA-N -1 0 411.436 -0.495 20 0 HBADRM COc1ccc(S(=O)(=O)N2CC[C@]3(C2)CNC(=O)CN3C(C)=O)cc1C(=O)[O-] ZINC001185288432 1071511481 /nfs/dbraw/zinc/51/14/81/1071511481.db2.gz OZMXLHBDIYSVGJ-QGZVFWFLSA-N -1 0 411.436 -0.495 20 0 HBADRM COc1ccc(S(=O)(=O)N2CC(N3CCS(=O)(=O)CC3)C2)cc1C(=O)[O-] ZINC001185296505 1071512402 /nfs/dbraw/zinc/51/24/02/1071512402.db2.gz WTANVVJSWFJHSD-UHFFFAOYSA-N -1 0 404.466 -0.503 20 0 HBADRM COC(=O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC001185298517 1071512391 /nfs/dbraw/zinc/51/23/91/1071512391.db2.gz IBEJHEPJLDMTQQ-LBPRGKRZSA-N -1 0 400.409 -0.164 20 0 HBADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)CCN1C(C)=O ZINC001185299473 1071512383 /nfs/dbraw/zinc/51/23/83/1071512383.db2.gz NDBCLGFTNMHNSQ-CYBMUJFWSA-N -1 0 400.409 -0.212 20 0 HBADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)CCN1C(C)=O ZINC001185299475 1071512099 /nfs/dbraw/zinc/51/20/99/1071512099.db2.gz NDBCLGFTNMHNSQ-ZDUSSCGKSA-N -1 0 400.409 -0.212 20 0 HBADRM COC(=O)[C@H]1CN(C(C)=O)CCN1S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC001185300918 1071511889 /nfs/dbraw/zinc/51/18/89/1071511889.db2.gz WQOIUXBIDIYYKH-CYBMUJFWSA-N -1 0 400.409 -0.212 20 0 HBADRM COC(=O)[C@@H]1CN(C(C)=O)CCN1S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC001185300920 1071512010 /nfs/dbraw/zinc/51/20/10/1071512010.db2.gz WQOIUXBIDIYYKH-ZDUSSCGKSA-N -1 0 400.409 -0.212 20 0 HBADRM COc1ccc(S(=O)(=O)NCCOCCOCCOCCO)cc1C(=O)[O-] ZINC001185323400 1071512688 /nfs/dbraw/zinc/51/26/88/1071512688.db2.gz QRKYPJBFEAIWNJ-UHFFFAOYSA-N -1 0 407.441 -0.286 20 0 HBADRM COc1ccc(S(=O)(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1C(=O)[O-] ZINC001185324109 1071512966 /nfs/dbraw/zinc/51/29/66/1071512966.db2.gz CBQSNICDYZJAJR-UHFFFAOYSA-N -1 0 421.497 -0.751 20 0 HBADRM COc1ccc(S(=O)(=O)NCCCC[C@H](NC(C)=O)C(N)=O)cc1C(=O)[O-] ZINC001185327017 1071513520 /nfs/dbraw/zinc/51/35/20/1071513520.db2.gz XUGGBEDBZKPOST-ZDUSSCGKSA-N -1 0 401.441 -0.168 20 0 HBADRM COc1ccc(S(=O)(=O)NCCCN2CCS(=O)(=O)CC2)cc1C(=O)[O-] ZINC001185331278 1071513345 /nfs/dbraw/zinc/51/33/45/1071513345.db2.gz DPQQDLMNPAPQQL-UHFFFAOYSA-N -1 0 406.482 -0.208 20 0 HBADRM COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)cc1C(=O)[O-] ZINC001185333575 1071513404 /nfs/dbraw/zinc/51/34/04/1071513404.db2.gz GBTUQJGBSAYMEP-LBPRGKRZSA-N -1 0 401.441 -0.312 20 0 HBADRM COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C(N)=O)C(C)C)cc1C(=O)[O-] ZINC001185340753 1071513559 /nfs/dbraw/zinc/51/35/59/1071513559.db2.gz IOAJHFMYCDUKMI-ZANVPECISA-N -1 0 401.441 -0.314 20 0 HBADRM O=S(=O)([N-]c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccsc1 ZINC001185350713 1071512771 /nfs/dbraw/zinc/51/27/71/1071512771.db2.gz JLXMTUCRXRMNJX-GCDPNZCJSA-N -1 0 413.437 -0.700 20 0 HBADRM O=S(=O)([N-]c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccsc1 ZINC001185350714 1071512824 /nfs/dbraw/zinc/51/28/24/1071512824.db2.gz JLXMTUCRXRMNJX-IDTAVKCVSA-N -1 0 413.437 -0.700 20 0 HBADRM O=S(=O)([N-]c1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccsc1 ZINC001185352775 1071512833 /nfs/dbraw/zinc/51/28/33/1071512833.db2.gz VOMHUXPDNSFTAU-RTWAVKEYSA-N -1 0 412.449 -0.095 20 0 HBADRM COc1nc(OC)c(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc1C ZINC001185417027 1071515887 /nfs/dbraw/zinc/51/58/87/1071515887.db2.gz DWWGWNZTTOJPQX-UHFFFAOYSA-N -1 0 400.373 -0.882 20 0 HBADRM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H]1CO[N-]C1=O ZINC001185417957 1071515762 /nfs/dbraw/zinc/51/57/62/1071515762.db2.gz GZKSFYPVXXVTNQ-UONOGXRCSA-N -1 0 406.439 -0.215 20 0 HBADRM Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)C=C([O-])c2ccccc2Cl)c(=O)n1 ZINC001185444299 1071514609 /nfs/dbraw/zinc/51/46/09/1071514609.db2.gz RJDQJAIESJOCIJ-BASLNEPJSA-N -1 0 422.825 -0.270 20 0 HBADRM COc1nc(OC)c(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cc1Br ZINC001185474963 1071516653 /nfs/dbraw/zinc/51/66/53/1071516653.db2.gz MKUHLHMYWJLMLH-XNCJUZBTSA-N -1 0 424.229 -0.007 20 0 HBADRM CCOc1cc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c(Cl)cn1 ZINC001185490595 1071517412 /nfs/dbraw/zinc/51/74/12/1071517412.db2.gz HHBJCWVZENBZLC-UHFFFAOYSA-N -1 0 404.792 -0.156 20 0 HBADRM C[C@H]1[C@H](NC(=O)[C@H]2CCC(=O)CN2C(=O)OC(C)(C)C)C(=O)N1S(=O)(=O)[O-] ZINC001185510943 1071516322 /nfs/dbraw/zinc/51/63/22/1071516322.db2.gz CHVPIJBWXGKJNH-GDPRMGEGSA-N -1 0 405.429 -0.527 20 0 HBADRM C[C@H]1[C@H](NC(=O)[C@@H]2CCC(=O)CN2C(=O)OC(C)(C)C)C(=O)N1S(=O)(=O)[O-] ZINC001185510944 1071516416 /nfs/dbraw/zinc/51/64/16/1071516416.db2.gz CHVPIJBWXGKJNH-LSJOCFKGSA-N -1 0 405.429 -0.527 20 0 HBADRM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-]CCC(=O)N1CCN(C)CC1 ZINC001185551761 1071517202 /nfs/dbraw/zinc/51/72/02/1071517202.db2.gz QBNGNPMKOOSAGZ-LLVKDONJSA-N -1 0 403.423 -0.046 20 0 HBADRM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-]CCC(=O)N1CCN(C)CC1 ZINC001185551762 1071516955 /nfs/dbraw/zinc/51/69/55/1071516955.db2.gz QBNGNPMKOOSAGZ-NSHDSACASA-N -1 0 403.423 -0.046 20 0 HBADRM N=C(NC(=O)c1cccc(N2CCCNC(=O)C2)n1)SCCS(=O)(=O)[O-] ZINC001185612464 1071521441 /nfs/dbraw/zinc/52/14/41/1071521441.db2.gz CPCSGLXFJWJPPB-UHFFFAOYSA-N -1 0 401.470 -0.307 20 0 HBADRM O=S(=O)(CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)N1CCCCC1 ZINC001185621681 1071525385 /nfs/dbraw/zinc/52/53/85/1071525385.db2.gz FDGBGHNGCQLYFL-UHFFFAOYSA-N -1 0 400.486 -0.039 20 0 HBADRM O=S(=O)(NCCOCCOCCOCCO)c1ccc(-c2nn[nH]n2)cc1 ZINC001185622462 1071525441 /nfs/dbraw/zinc/52/54/41/1071525441.db2.gz KVCVLDWTUUOZMI-UHFFFAOYSA-N -1 0 401.445 -0.813 20 0 HBADRM CN(CC(=O)N1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185652724 1071522593 /nfs/dbraw/zinc/52/25/93/1071522593.db2.gz BDUSFPMXMATDQX-BFHYXJOUSA-N -1 0 413.371 -0.627 20 0 HBADRM Cc1noc([C@@H]2C[C@@H]3CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C[C@H]3O2)n1 ZINC001185652888 1071522798 /nfs/dbraw/zinc/52/27/98/1071522798.db2.gz CDVQRMMUINSKAI-GARJFASQSA-N -1 0 402.348 -0.395 20 0 HBADRM CN(CC(=O)N1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653376 1071522737 /nfs/dbraw/zinc/52/27/37/1071522737.db2.gz DWSTUWOIXFNKRA-CHWSQXEVSA-N -1 0 410.371 -0.668 20 0 HBADRM CN(CC(=O)N1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653377 1071522622 /nfs/dbraw/zinc/52/26/22/1071522622.db2.gz DWSTUWOIXFNKRA-QWHCGFSZSA-N -1 0 410.371 -0.668 20 0 HBADRM CN(CC(=O)NC1CCN(c2ccc(Cl)nn2)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653381 1071522700 /nfs/dbraw/zinc/52/27/00/1071522700.db2.gz DUYNXNBMVAUCCG-UHFFFAOYSA-N -1 0 405.783 -0.236 20 0 HBADRM CN(C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653387 1071522576 /nfs/dbraw/zinc/52/25/76/1071522576.db2.gz FBIUQVQCODYPAZ-LLVKDONJSA-N -1 0 423.407 -0.370 20 0 HBADRM CN(C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653393 1071522636 /nfs/dbraw/zinc/52/26/36/1071522636.db2.gz FBIUQVQCODYPAZ-NSHDSACASA-N -1 0 423.407 -0.370 20 0 HBADRM CN(CC(=O)N1CCc2nnc(Cn3cccc3)n2CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653535 1071522746 /nfs/dbraw/zinc/52/27/46/1071522746.db2.gz GHBQHPNSIXNJDX-UHFFFAOYSA-N -1 0 410.375 -0.939 20 0 HBADRM CC(C)Oc1ncnc2c1CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC2 ZINC001185653628 1071522763 /nfs/dbraw/zinc/52/27/63/1071522763.db2.gz HGQCYPOJRINHER-UHFFFAOYSA-N -1 0 400.376 -0.260 20 0 HBADRM Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])n1 ZINC001185653661 1071522648 /nfs/dbraw/zinc/52/26/48/1071522648.db2.gz HMJHGMRHQQIZOV-UONOGXRCSA-N -1 0 424.398 -0.359 20 0 HBADRM CC(C)CC(=O)NC[C@]12COC[C@H]1CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C2 ZINC001185653861 1071522789 /nfs/dbraw/zinc/52/27/89/1071522789.db2.gz JFPHTJBIXNAKQP-WBMJQRKESA-N -1 0 419.419 -0.827 20 0 HBADRM CN(CC(=O)N1CCc2ncc(Cn3cccn3)n2CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653947 1071523379 /nfs/dbraw/zinc/52/33/79/1071523379.db2.gz KPAQJTIOZJTJSD-UHFFFAOYSA-N -1 0 410.375 -0.939 20 0 HBADRM CN(CC(=O)N1Cc2nccn2C[C@@H](COCC2CC2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653968 1071523370 /nfs/dbraw/zinc/52/33/70/1071523370.db2.gz KWNLQJHDLPLUBW-CYBMUJFWSA-N -1 0 414.403 -0.183 20 0 HBADRM CN(CC(=O)N1Cc2nccn2C[C@H](COCC2CC2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653976 1071523282 /nfs/dbraw/zinc/52/32/82/1071523282.db2.gz KWNLQJHDLPLUBW-ZDUSSCGKSA-N -1 0 414.403 -0.183 20 0 HBADRM CCOC(=O)c1oc2nccnc2c1NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654217 1071523189 /nfs/dbraw/zinc/52/31/89/1071523189.db2.gz OHBAQZGHAQPOJK-UHFFFAOYSA-N -1 0 400.288 -0.113 20 0 HBADRM CC(C)N(C)C(=O)c1noc2c1CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC2 ZINC001185654288 1071523355 /nfs/dbraw/zinc/52/33/55/1071523355.db2.gz MTDBQDNDWDGRNM-UHFFFAOYSA-N -1 0 416.375 -0.411 20 0 HBADRM CN(CC(=O)N1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654307 1071523248 /nfs/dbraw/zinc/52/32/48/1071523248.db2.gz NVSCPQOYTWLRIQ-YNEHKIRRSA-N -1 0 417.403 -0.836 20 0 HBADRM CN(CC(=O)N1CCC2(C[C@@H](c3cnn(C)c3)CO2)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654330 1071523307 /nfs/dbraw/zinc/52/33/07/1071523307.db2.gz OQCCNVGDVAHSKV-GFCCVEGCSA-N -1 0 414.403 -0.166 20 0 HBADRM CN(CC(=O)N1CCC2(C[C@H](c3cnn(C)c3)CO2)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654336 1071523151 /nfs/dbraw/zinc/52/31/51/1071523151.db2.gz OQCCNVGDVAHSKV-LBPRGKRZSA-N -1 0 414.403 -0.166 20 0 HBADRM CN(CC(=O)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654443 1071523237 /nfs/dbraw/zinc/52/32/37/1071523237.db2.gz QAQZIKMXLOECPN-CJNGLKHVSA-N -1 0 413.371 -0.231 20 0 HBADRM CN(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654474 1071523296 /nfs/dbraw/zinc/52/32/96/1071523296.db2.gz PKIYHZOHSWXIST-UHFFFAOYSA-N -1 0 413.371 -0.392 20 0 HBADRM CN(CC(=O)Nc1ncnn2c(Br)ccc12)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654540 1071523180 /nfs/dbraw/zinc/52/31/80/1071523180.db2.gz RUISMODGKXILEY-UHFFFAOYSA-N -1 0 406.137 -0.599 20 0 HBADRM Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])O2)n1 ZINC001185654696 1071523255 /nfs/dbraw/zinc/52/32/55/1071523255.db2.gz QPUYUUYZBKGIBL-MXWKQRLJSA-N -1 0 402.348 -0.252 20 0 HBADRM CCOC(=O)c1cc2n(n1)CCCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C2 ZINC001185654742 1071523990 /nfs/dbraw/zinc/52/39/90/1071523990.db2.gz RJNSRUYPCQFGSR-UHFFFAOYSA-N -1 0 402.348 -0.659 20 0 HBADRM CN(CC(=O)Nc1ccc(C(=O)N2CCOCC2)cn1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654795 1071523937 /nfs/dbraw/zinc/52/39/37/1071523937.db2.gz URRDDWKSOYBRIS-UHFFFAOYSA-N -1 0 400.332 -0.959 20 0 HBADRM CC(=O)N1CCC(n2nccc2NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC1 ZINC001185654858 1071523913 /nfs/dbraw/zinc/52/39/13/1071523913.db2.gz SNPWBZBNDQFUNO-UHFFFAOYSA-N -1 0 401.364 -0.446 20 0 HBADRM CCN1C(C)=N[C@@]2(CC[C@@H]3CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C[C@@H]32)C1=O ZINC001185654922 1071523925 /nfs/dbraw/zinc/52/39/25/1071523925.db2.gz SZUPVZVKZSOFMK-BFQNTYOBSA-N -1 0 414.403 -0.577 20 0 HBADRM CN(CC(=O)N1Cc2nccn2C[C@@H](Cn2cccn2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654956 1071523819 /nfs/dbraw/zinc/52/38/19/1071523819.db2.gz UFKYTZGSWCGKHK-GFCCVEGCSA-N -1 0 410.375 -0.713 20 0 HBADRM CN(CC(=O)N1Cc2nccn2C[C@H](Cn2cccn2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654957 1071523981 /nfs/dbraw/zinc/52/39/81/1071523981.db2.gz UFKYTZGSWCGKHK-LBPRGKRZSA-N -1 0 410.375 -0.713 20 0 HBADRM CN(CC(=O)Nc1nc(Br)cn2ccnc12)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654971 1071523973 /nfs/dbraw/zinc/52/39/73/1071523973.db2.gz XVIJJBXAXRIEOO-UHFFFAOYSA-N -1 0 406.137 -0.021 20 0 HBADRM CN(CC(=O)N1Cc2cncn2C[C@H](COCC2CC2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185655174 1071523862 /nfs/dbraw/zinc/52/38/62/1071523862.db2.gz UNILOTAFDCGWPP-CYBMUJFWSA-N -1 0 414.403 -0.183 20 0 HBADRM CN(CC(=O)N1Cc2cncn2C[C@@H](COCC2CC2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185655176 1071524006 /nfs/dbraw/zinc/52/40/06/1071524006.db2.gz UNILOTAFDCGWPP-ZDUSSCGKSA-N -1 0 414.403 -0.183 20 0 HBADRM CN(CC(=O)N1CCC2(CCCN2c2ncccn2)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185655220 1071523963 /nfs/dbraw/zinc/52/39/63/1071523963.db2.gz VDPPIGHYWHRLNR-UHFFFAOYSA-N -1 0 411.403 -0.013 20 0 HBADRM CN(CC(=O)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185655299 1071523851 /nfs/dbraw/zinc/52/38/51/1071523851.db2.gz WTSSUUBAFBWUCE-YDHLFZDLSA-N -1 0 413.371 -0.232 20 0 HBADRM CN(CC(=O)N1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185655406 1071523882 /nfs/dbraw/zinc/52/38/82/1071523882.db2.gz YOMKRCNHBSKBKB-ZOWXZIJZSA-N -1 0 417.403 -0.836 20 0 HBADRM CC(C)n1nc(CN(C)C)c2c1CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC2 ZINC001185655474 1071524030 /nfs/dbraw/zinc/52/40/30/1071524030.db2.gz ZIMCBACEFJZMAQ-UHFFFAOYSA-N -1 0 415.435 -0.041 20 0 HBADRM CN(CC(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185655558 1071524053 /nfs/dbraw/zinc/52/40/53/1071524053.db2.gz ZXEPEIMNGRLLTQ-MLGOLLRUSA-N -1 0 417.403 -0.931 20 0 HBADRM CN(CC(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2cccnc2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185656257 1071524673 /nfs/dbraw/zinc/52/46/73/1071524673.db2.gz DNOJKGPROWLMRC-CXAGYDPISA-N -1 0 424.398 -0.515 20 0 HBADRM CN(CC(=O)N1CC[C@]2(C[C@@H]2C(=O)NCc2cccnc2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185656258 1071524480 /nfs/dbraw/zinc/52/44/80/1071524480.db2.gz DNOJKGPROWLMRC-DYVFJYSZSA-N -1 0 424.398 -0.515 20 0 HBADRM CN(CC(=O)N1CC[C@]2(C[C@H]2C(=O)NCc2cccnc2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185656259 1071524640 /nfs/dbraw/zinc/52/46/40/1071524640.db2.gz DNOJKGPROWLMRC-GUYCJALGSA-N -1 0 424.398 -0.515 20 0 HBADRM CN(CC(=O)N1CC[C@@]2(C[C@H]2C(=O)NCc2cccnc2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185656260 1071524494 /nfs/dbraw/zinc/52/44/94/1071524494.db2.gz DNOJKGPROWLMRC-SUMWQHHRSA-N -1 0 424.398 -0.515 20 0 HBADRM CN(CC(=O)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185656942 1071524606 /nfs/dbraw/zinc/52/46/06/1071524606.db2.gz LGPREOSYBXYSGE-GFCCVEGCSA-N -1 0 404.385 -0.390 20 0 HBADRM CN(CC(=O)N1CC[C@H](S(=O)(=O)c2ccccc2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185656943 1071524682 /nfs/dbraw/zinc/52/46/82/1071524682.db2.gz LGPREOSYBXYSGE-LBPRGKRZSA-N -1 0 404.385 -0.390 20 0 HBADRM CN(CC(=O)N1CCCn2cnc(Cn3cccn3)c2C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657141 1071524580 /nfs/dbraw/zinc/52/45/80/1071524580.db2.gz MXPAHUYCMFPGOD-UHFFFAOYSA-N -1 0 410.375 -0.591 20 0 HBADRM CN(CC(=O)N1C[C@@H]2C[C@H](C(=O)NC3CCC3)C[C@@H]2C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657156 1071524504 /nfs/dbraw/zinc/52/45/04/1071524504.db2.gz NNEZKQPFRFTOGL-CNDDSTCGSA-N -1 0 401.404 -0.311 20 0 HBADRM CN(CC(=O)N1CCCN(C(=O)Cc2ccccc2)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657163 1071524453 /nfs/dbraw/zinc/52/44/53/1071524453.db2.gz NYVPRQLPSJKWGW-UHFFFAOYSA-N -1 0 411.399 -0.161 20 0 HBADRM CN(CC(=O)N1CC[C@H]2O[C@H](C(=O)N3CCCC3)CC[C@H]21)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657169 1071524466 /nfs/dbraw/zinc/52/44/66/1071524466.db2.gz OBPWWVFGRRDECP-UPJWGTAASA-N -1 0 417.403 -0.694 20 0 HBADRM CN(CC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657175 1071524659 /nfs/dbraw/zinc/52/46/59/1071524659.db2.gz OMBHDVMASFCDQR-VHSXEESVSA-N -1 0 411.371 -0.001 20 0 HBADRM CN(CC(=O)N1CCC(n2nnc3ccccc3c2=O)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657179 1071524537 /nfs/dbraw/zinc/52/45/37/1071524537.db2.gz OOODVSQUFHBWGK-UHFFFAOYSA-N -1 0 423.370 -0.496 20 0 HBADRM CN(CC(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657249 1071524688 /nfs/dbraw/zinc/52/46/88/1071524688.db2.gz QSXZYERUBIMGCT-BETUJISGSA-N -1 0 423.366 -0.821 20 0 HBADRM CN(CC(=O)N1CCC2(C[C@H](c3cccnc3)C(=O)N2)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657264 1071524618 /nfs/dbraw/zinc/52/46/18/1071524618.db2.gz RBCRCSYZHGQFMI-CYBMUJFWSA-N -1 0 424.398 -0.405 20 0 HBADRM CN(CC(=O)N1CCC2(C[C@@H](c3cccnc3)C(=O)N2)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657265 1071524652 /nfs/dbraw/zinc/52/46/52/1071524652.db2.gz RBCRCSYZHGQFMI-ZDUSSCGKSA-N -1 0 424.398 -0.405 20 0 HBADRM CN(CC(=O)N1C[C@@H]2C(=O)N(c3ccsc3)C[C@@H]2C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657291 1071524630 /nfs/dbraw/zinc/52/46/30/1071524630.db2.gz SCTLJQCZYJBQCN-ONGXEEELSA-N -1 0 401.385 -0.282 20 0 HBADRM CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])[C@@H]2C1 ZINC001185657335 1071525343 /nfs/dbraw/zinc/52/53/43/1071525343.db2.gz UIRFWZGVJYETLE-QJPTWQEYSA-N -1 0 405.392 -0.934 20 0 HBADRM CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC1 ZINC001185657526 1071525180 /nfs/dbraw/zinc/52/51/80/1071525180.db2.gz XNYMUDRUIBPPCB-UHFFFAOYSA-N -1 0 418.435 -0.920 20 0 HBADRM CN(CC(=O)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657640 1071525320 /nfs/dbraw/zinc/52/53/20/1071525320.db2.gz ZKFYUPRJANVPSB-JTQLQIEISA-N -1 0 409.380 -0.713 20 0 HBADRM CN(CC(=O)N1CC[C@@H](n2cc(Br)cn2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185660958 1071525845 /nfs/dbraw/zinc/52/58/45/1071525845.db2.gz ALHNVPCUUOAIEP-SECBINFHSA-N -1 0 409.181 -0.032 20 0 HBADRM CN(CC(=O)N1C[C@H](NC(=O)OC(C)(C)C)C2(COC2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185661003 1071526608 /nfs/dbraw/zinc/52/66/08/1071526608.db2.gz BEZHOELSUNQRFL-JTQLQIEISA-N -1 0 421.391 -0.713 20 0 HBADRM CN(CC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C2(COC2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185661004 1071526514 /nfs/dbraw/zinc/52/65/14/1071526514.db2.gz BEZHOELSUNQRFL-SNVBAGLBSA-N -1 0 421.391 -0.713 20 0 HBADRM COc1ccc(C(=O)N2CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC2)cc1 ZINC001185661013 1071526704 /nfs/dbraw/zinc/52/67/04/1071526704.db2.gz BQDGSNOVOMOARA-UHFFFAOYSA-N -1 0 413.371 -0.472 20 0 HBADRM CCS(=O)(=O)c1ccc(OC)c(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])c1 ZINC001185661019 1071526690 /nfs/dbraw/zinc/52/66/90/1071526690.db2.gz BYOYLOGOCWYHCA-UHFFFAOYSA-N -1 0 408.373 -0.024 20 0 HBADRM CN(CC(=O)N(C)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185661042 1071526661 /nfs/dbraw/zinc/52/66/61/1071526661.db2.gz DBVMTIAHKOIJCX-IAZYJMLFSA-N -1 0 405.392 -0.141 20 0 HBADRM COC(=O)c1cc2c(ncn2C)c(F)c1NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185661307 1071526546 /nfs/dbraw/zinc/52/65/46/1071526546.db2.gz HSWVLMPKKPNJBQ-UHFFFAOYSA-N -1 0 416.306 -0.014 20 0 HBADRM COC(=O)c1cccc(C(=O)OC)c1NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185661337 1071526785 /nfs/dbraw/zinc/52/67/85/1071526785.db2.gz IQMKVYNBSIDJJF-UHFFFAOYSA-N -1 0 402.300 -0.253 20 0 HBADRM CN(CC(=O)N1CCNC(=O)[C@H]1c1ccc(Cl)cc1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662180 1071526679 /nfs/dbraw/zinc/52/66/79/1071526679.db2.gz PHWWHKPFZLXBIR-GFCCVEGCSA-N -1 0 403.763 -0.112 20 0 HBADRM CN(CC(=O)N1CCNC(=O)[C@@H]1c1ccc(Cl)cc1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662181 1071526770 /nfs/dbraw/zinc/52/67/70/1071526770.db2.gz PHWWHKPFZLXBIR-LBPRGKRZSA-N -1 0 403.763 -0.112 20 0 HBADRM CO[C@@H]1CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C[C@@H]1NC(=O)OC(C)(C)C ZINC001185662196 1071526742 /nfs/dbraw/zinc/52/67/42/1071526742.db2.gz QALRKOGOXHHZDS-VHSXEESVSA-N -1 0 409.380 -0.714 20 0 HBADRM 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CCOC(=O)N[C@@H](CC(N)=O)C(=O)Nc1cccc2c(=O)cc(-c3nnn[n-]3)oc12 ZINC001185870204 1071536441 /nfs/dbraw/zinc/53/64/41/1071536441.db2.gz WATIZHKLBGLXCU-JTQLQIEISA-N -1 0 415.366 -0.098 20 0 HBADRM CCOC(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(CC(=O)[N-]S(C)(=O)=O)cc1 ZINC001185873329 1071532290 /nfs/dbraw/zinc/53/22/90/1071532290.db2.gz RZDOKKYRBHJMRB-LBPRGKRZSA-N -1 0 414.440 -0.767 20 0 HBADRM Cc1cc(C(=O)n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)ccc1N1CCOCC1 ZINC001185891772 1071536482 /nfs/dbraw/zinc/53/64/82/1071536482.db2.gz PXYSFNKTZHSMIK-UHFFFAOYSA-N -1 0 424.439 -0.458 20 0 HBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC001185924858 1071537608 /nfs/dbraw/zinc/53/76/08/1071537608.db2.gz AMLYQSQLWFUKPR-UHFFFAOYSA-N -1 0 405.498 -0.451 20 0 HBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCNC(=O)Cn1cc(C)c(=O)[nH]c1=O ZINC001185934296 1071537532 /nfs/dbraw/zinc/53/75/32/1071537532.db2.gz KWFPWHJCXSQUNM-UHFFFAOYSA-N -1 0 424.435 -0.641 20 0 HBADRM CC(=O)NC[C@H](C(=O)n1c(=N)nc(OS(=O)(=O)[O-])c(N)c1N)c1ccccc1 ZINC001185942381 1071537520 /nfs/dbraw/zinc/53/75/20/1071537520.db2.gz LZPISVVYWDWJKZ-JTQLQIEISA-N -1 0 410.412 -0.731 20 0 HBADRM CC(=O)NC[C@@H](C(=O)n1c(=N)nc(OS(=O)(=O)[O-])c(N)c1N)c1ccccc1 ZINC001185942388 1071537467 /nfs/dbraw/zinc/53/74/67/1071537467.db2.gz LZPISVVYWDWJKZ-SNVBAGLBSA-N -1 0 410.412 -0.731 20 0 HBADRM CC(=O)NC[C@H](C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-])c1ccccc1 ZINC001185966394 1071538114 /nfs/dbraw/zinc/53/81/14/1071538114.db2.gz LGMWQBCCNCQHBK-IRXDYDNUSA-N -1 0 415.450 -0.052 20 0 HBADRM CC(=O)NC[C@@H](C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-])c1ccccc1 ZINC001185966395 1071538256 /nfs/dbraw/zinc/53/82/56/1071538256.db2.gz LGMWQBCCNCQHBK-SJORKVTESA-N -1 0 415.450 -0.052 20 0 HBADRM CC1(C)CCC(CC(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)CC1 ZINC001185980567 1071538308 /nfs/dbraw/zinc/53/83/08/1071538308.db2.gz JVTFESBTPDVPHS-DIAXPKBXSA-N -1 0 411.473 -0.664 20 0 HBADRM 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CCCCOC(=O)N[C@@H](C(=O)n1c(=N)nc(OS(=O)(=O)[O-])c(N)c1N)C1CC1 ZINC001186280323 1071546656 /nfs/dbraw/zinc/54/66/56/1071546656.db2.gz BEPMYGSUOWLUKZ-SECBINFHSA-N -1 0 418.432 -0.346 20 0 HBADRM CCCCOC(=O)N[C@H](C(=O)n1c(=N)nc(OS(=O)(=O)[O-])c(N)c1N)C1CC1 ZINC001186280325 1071546699 /nfs/dbraw/zinc/54/66/99/1071546699.db2.gz BEPMYGSUOWLUKZ-VIFPVBQESA-N -1 0 418.432 -0.346 20 0 HBADRM CC(=O)O[C@@H](Cc1ccccc1)C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001186324919 1071547138 /nfs/dbraw/zinc/54/71/38/1071547138.db2.gz UGFYSLNAAYYKLS-JTQLQIEISA-N -1 0 411.396 -0.477 20 0 HBADRM CC(=O)O[C@H](Cc1ccccc1)C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001186324920 1071547090 /nfs/dbraw/zinc/54/70/90/1071547090.db2.gz UGFYSLNAAYYKLS-SNVBAGLBSA-N -1 0 411.396 -0.477 20 0 HBADRM CC(=O)Nc1cc(F)ccc1C(=O)n1c(=N)nc(OS(=O)(=O)[O-])c(N)c1N ZINC001186405558 1071548914 /nfs/dbraw/zinc/54/89/14/1071548914.db2.gz IVJPPLACMSEDID-UHFFFAOYSA-N -1 0 400.348 -0.505 20 0 HBADRM C[C@H]1[C@H](NS(=O)(=O)c2cncc(Br)c2)C(=O)N1S(=O)(=O)[O-] ZINC001186428122 1071549485 /nfs/dbraw/zinc/54/94/85/1071549485.db2.gz KMGOJVBDTZTBEK-XNCJUZBTSA-N -1 0 400.232 -0.476 20 0 HBADRM COC(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1 ZINC001186584378 1071551760 /nfs/dbraw/zinc/55/17/60/1071551760.db2.gz JGHGXHHATCLZES-CPCISQLKSA-N -1 0 408.410 -0.838 20 0 HBADRM CC(=O)N[C@@H](CO)C(=O)NCC(=O)Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC001186599693 1071562242 /nfs/dbraw/zinc/56/22/42/1071562242.db2.gz WBYFPMRFMHKLSP-HNNXBMFYSA-N -1 0 409.420 -0.362 20 0 HBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC=O)C(C)C ZINC001186618334 1071554169 /nfs/dbraw/zinc/55/41/69/1071554169.db2.gz HUBNTSZNWFKZPB-OBJOEFQTSA-N -1 0 419.500 -0.483 20 0 HBADRM CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)n1[n-]c2ccnc(=O)c-2c1N)C(C)C ZINC001186621511 1071554697 /nfs/dbraw/zinc/55/46/97/1071554697.db2.gz ZDUANQUIGOPRMJ-AAEUAGOBSA-N -1 0 408.484 -0.093 20 0 HBADRM 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421.435 -0.453 20 0 HBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)c1nccn1Cc1ccccn1 ZINC001198287267 1071760096 /nfs/dbraw/zinc/76/00/96/1071760096.db2.gz LOVWVSLRCXKMFI-HNNXBMFYSA-N -1 0 411.422 -0.019 20 0 HBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1ccc(-c2ccc(=O)[nH]n2)cc1 ZINC001198323154 1071760505 /nfs/dbraw/zinc/76/05/05/1071760505.db2.gz HDNFWVRIPROLAW-UHFFFAOYSA-N -1 0 419.379 -0.440 20 0 HBADRM COC(=O)[C@@H](O)CCn1cnc2c1ncnc2[N-]S(=O)(=O)c1cnc(C)n1C ZINC001198360720 1071762525 /nfs/dbraw/zinc/76/25/25/1071762525.db2.gz CJBCDBYKZXSDSS-JTQLQIEISA-N -1 0 409.428 -0.407 20 0 HBADRM COC(=O)[C@H](O)CCn1cnc2c1ncnc2[N-]S(=O)(=O)c1cnc(C)n1C ZINC001198360721 1071762439 /nfs/dbraw/zinc/76/24/39/1071762439.db2.gz CJBCDBYKZXSDSS-SNVBAGLBSA-N -1 0 409.428 -0.407 20 0 HBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cn(Cc2ccccn2)cn1 ZINC001198366993 1071761170 /nfs/dbraw/zinc/76/11/70/1071761170.db2.gz MIRSSDBHGGIKEZ-UHFFFAOYSA-N -1 0 406.384 -0.963 20 0 HBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)c1cn(Cc2ccccn2)cn1 ZINC001198376760 1071761922 /nfs/dbraw/zinc/76/19/22/1071761922.db2.gz DUVRLHGJAJREPE-HNNXBMFYSA-N -1 0 411.422 -0.019 20 0 HBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)c1cn(C2CCOCC2)cn1 ZINC001198408335 1071762495 /nfs/dbraw/zinc/76/24/95/1071762495.db2.gz NZKVWZNINRBJBC-AWEZNQCLSA-N -1 0 404.427 -0.110 20 0 HBADRM Cn1c2ccc(C(=O)NCCC(=O)N[C@@H](Cc3c[nH]cn3)C(=O)[O-])cc2n(C)c1=O ZINC001198511578 1071764293 /nfs/dbraw/zinc/76/42/93/1071764293.db2.gz UURLVZNULMXHSU-ZDUSSCGKSA-N -1 0 414.422 -0.468 20 0 HBADRM Cc1nn(-c2cccnc2)c(C)c1C(=O)n1c(=N)nc(OS(=O)(=O)[O-])c(N)c1N ZINC001198622644 1071766168 /nfs/dbraw/zinc/76/61/68/1071766168.db2.gz IJIBIADBKDKRRU-UHFFFAOYSA-N -1 0 420.411 -0.405 20 0 HBADRM Cn1c(=O)c(C(=O)NCCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])nc2ccccc21 ZINC001198665747 1071766679 /nfs/dbraw/zinc/76/66/79/1071766679.db2.gz ZXYCNMZRUATARJ-ZDUSSCGKSA-N -1 0 412.406 -0.411 20 0 HBADRM COCCn1c(=O)cccc1C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001198700632 1071766569 /nfs/dbraw/zinc/76/65/69/1071766569.db2.gz OOOANXALXXRXNO-ZDUSSCGKSA-N -1 0 405.411 -0.850 20 0 HBADRM CCN1C[C@@]23CN(S(=O)(=O)c4ccccc4C(=O)[O-])C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001198749015 1071767306 /nfs/dbraw/zinc/76/73/06/1071767306.db2.gz DCNZDMUGFIHVHK-DIOULYMOSA-N -1 0 416.477 -0.049 20 0 HBADRM O=C([O-])c1ccccc1S(=O)(=O)N1C[C@@H](NC(=O)c2cnccn2)[C@H]2COC[C@H]21 ZINC001198757320 1071767207 /nfs/dbraw/zinc/76/72/07/1071767207.db2.gz YVTGRFXWCOHWFN-BPLDGKMQSA-N -1 0 418.431 -0.007 20 0 HBADRM CN(C)C(=O)COCc1nnc2n1CCN(S(=O)(=O)c1ccccc1C(=O)[O-])C2 ZINC001198760744 1071767261 /nfs/dbraw/zinc/76/72/61/1071767261.db2.gz JHPDYNWBKQFGTL-UHFFFAOYSA-N -1 0 423.451 -0.214 20 0 HBADRM COC(=O)[C@H]1CCS(=O)(=O)C12CN(S(=O)(=O)c1ccccc1C(=O)[O-])C2 ZINC001198766853 1071767278 /nfs/dbraw/zinc/76/72/78/1071767278.db2.gz QCIGTARGLBKTND-LLVKDONJSA-N -1 0 403.434 -0.264 20 0 HBADRM COC(=O)[C@@H]1CCS(=O)(=O)C12CN(S(=O)(=O)c1ccccc1C(=O)[O-])C2 ZINC001198766854 1071767844 /nfs/dbraw/zinc/76/78/44/1071767844.db2.gz QCIGTARGLBKTND-NSHDSACASA-N -1 0 403.434 -0.264 20 0 HBADRM CC(=O)N1CC2(C1)CN(S(=O)(=O)c1ccccc1C(=O)[O-])C[C@H]2C(=O)N(C)C ZINC001198773281 1071767779 /nfs/dbraw/zinc/76/77/79/1071767779.db2.gz VSQRXJJRTDRAIO-AWEZNQCLSA-N -1 0 409.464 -0.058 20 0 HBADRM CC(=O)N1CC2(C1)CN(S(=O)(=O)c1ccccc1C(=O)[O-])C[C@@H]2C(=O)N(C)C ZINC001198773285 1071767848 /nfs/dbraw/zinc/76/78/48/1071767848.db2.gz VSQRXJJRTDRAIO-CQSZACIVSA-N -1 0 409.464 -0.058 20 0 HBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)c1ccn(CC2CC2)c(=O)c1 ZINC001198781332 1071767905 /nfs/dbraw/zinc/76/79/05/1071767905.db2.gz LKAUQLAMROXEDK-HNNXBMFYSA-N -1 0 401.423 -0.087 20 0 HBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)c1cccc(=O)n1CC1CC1 ZINC001198802468 1071768370 /nfs/dbraw/zinc/76/83/70/1071768370.db2.gz MJHCDRBUTQLCGZ-AWEZNQCLSA-N -1 0 401.423 -0.087 20 0 HBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cc(OCC2CCC2)ncn1 ZINC001198804162 1071768241 /nfs/dbraw/zinc/76/82/41/1071768241.db2.gz LHKQDALOBOGMIS-UHFFFAOYSA-N -1 0 411.400 -0.634 20 0 HBADRM Cc1cn(CC(=O)NCCNS(=O)(=O)c2ccccc2C(=O)[O-])c(=O)[nH]c1=O ZINC001198810804 1071768438 /nfs/dbraw/zinc/76/84/38/1071768438.db2.gz RGTZFFVJQJJYMZ-UHFFFAOYSA-N -1 0 410.408 -0.950 20 0 HBADRM NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198819322 1071768145 /nfs/dbraw/zinc/76/81/45/1071768145.db2.gz AGUYLNIENMTWCK-AWEZNQCLSA-N -1 0 421.431 -0.419 20 0 HBADRM NC(=O)[C@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198819540 1071768196 /nfs/dbraw/zinc/76/81/96/1071768196.db2.gz CIWDTJBTAJKNLE-AWEZNQCLSA-N -1 0 405.432 -0.124 20 0 HBADRM NC(=O)CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198820719 1071768323 /nfs/dbraw/zinc/76/83/23/1071768323.db2.gz NWUUNDHUQQTJKC-AWEZNQCLSA-N -1 0 405.432 -0.124 20 0 HBADRM NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198820828 1071768120 /nfs/dbraw/zinc/76/81/20/1071768120.db2.gz RDVZNEZCCZGLIJ-AWEZNQCLSA-N -1 0 421.431 -0.419 20 0 HBADRM COCCn1cc(C(=O)NCCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])ccc1=O ZINC001198838603 1071768853 /nfs/dbraw/zinc/76/88/53/1071768853.db2.gz DDYQADKXYCBKHC-AWEZNQCLSA-N -1 0 405.411 -0.850 20 0 HBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)c1ccc(=O)n(CC2CC2)c1 ZINC001198920122 1071769928 /nfs/dbraw/zinc/76/99/28/1071769928.db2.gz HFWVRLMMYMEMTQ-HNNXBMFYSA-N -1 0 401.423 -0.087 20 0 HBADRM C[C@H]1[C@H](NC(=O)c2cnc(OCC3CCOCC3)nc2)C(=O)N1S(=O)(=O)[O-] ZINC001198936146 1071770616 /nfs/dbraw/zinc/77/06/16/1071770616.db2.gz FUPRCGJECVPPDF-CABZTGNLSA-N -1 0 400.413 -0.586 20 0 HBADRM Cn1cc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c(=O)c2ccccc21 ZINC001198959548 1071770592 /nfs/dbraw/zinc/77/05/92/1071770592.db2.gz XVXPACXKNOLYIR-UHFFFAOYSA-N -1 0 406.380 -0.751 20 0 HBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)c1cnc(=O)n(C2CCC2)c1 ZINC001198976628 1071770508 /nfs/dbraw/zinc/77/05/08/1071770508.db2.gz VDNBFYSYNJZHRT-AWEZNQCLSA-N -1 0 402.411 -0.377 20 0 HBADRM COCCOc1cncc(C(=O)NCCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c1 ZINC001198996720 1071771314 /nfs/dbraw/zinc/77/13/14/1071771314.db2.gz NTCJPZOGNUFJND-HNNXBMFYSA-N -1 0 405.411 -0.238 20 0 HBADRM CCOc1ccc(NC(=O)N2CCOCC2)cc1S(=O)(=O)N[C@@H]1CO[N-]C1=O ZINC001199014159 1071771109 /nfs/dbraw/zinc/77/11/09/1071771109.db2.gz LSCCKOMWYQCLKJ-GFCCVEGCSA-N -1 0 414.440 -0.342 20 0 HBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)c1cncn1C1CCOCC1 ZINC001199079148 1071771795 /nfs/dbraw/zinc/77/17/95/1071771795.db2.gz KMCGMHQHFKTGJO-AWEZNQCLSA-N -1 0 404.427 -0.110 20 0 HBADRM Cc1cc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)nn1Cc1ccncc1 ZINC001199095202 1071771716 /nfs/dbraw/zinc/77/17/16/1071771716.db2.gz LAJNSMUNJGVKSW-UHFFFAOYSA-N -1 0 420.411 -0.655 20 0 HBADRM COCCOc1cnc(C(=O)NCCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cn1 ZINC001199133201 1071772351 /nfs/dbraw/zinc/77/23/51/1071772351.db2.gz WTGYBOGKXFYBMD-LBPRGKRZSA-N -1 0 406.399 -0.843 20 0 HBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)c1cnc(OCC2CC2)cn1 ZINC001199141513 1071772405 /nfs/dbraw/zinc/77/24/05/1071772405.db2.gz FKTVKBRLDDMPTA-ZDUSSCGKSA-N -1 0 402.411 -0.080 20 0 HBADRM COCCn1nc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cc1C(F)(F)F ZINC001199155683 1071772913 /nfs/dbraw/zinc/77/29/13/1071772913.db2.gz UUUMKHOWDZZCLX-RCOVLWMOSA-N -1 0 400.335 -0.320 20 0 HBADRM C[C@H]1[C@H](NC(=O)c2cncc(OCC3CCOCC3)n2)C(=O)N1S(=O)(=O)[O-] ZINC001199165372 1071772990 /nfs/dbraw/zinc/77/29/90/1071772990.db2.gz OFOYIRHQXIYLAB-ZANVPECISA-N -1 0 400.413 -0.586 20 0 HBADRM C[C@H]1[C@H](NC(=O)c2nccc(OCC3CCOCC3)n2)C(=O)N1S(=O)(=O)[O-] ZINC001199175501 1071772893 /nfs/dbraw/zinc/77/28/93/1071772893.db2.gz AGACIMRMOVFYAC-CABZTGNLSA-N -1 0 400.413 -0.586 20 0 HBADRM 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