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313.386 2.209 50 0 DEAAHM Cc1sc(CCNC(=O)c2cnn[n-]2)nc1-c1ccccc1 ZINC000096449582 402089711 /nfs/dbraw/zinc/08/97/11/402089711.db2.gz HWZCLXPRJJJUNM-UHFFFAOYSA-N -1 3 313.386 2.209 50 0 DEAAHM Cc1sc(CCNC(=O)c2cn[n-]n2)nc1-c1ccccc1 ZINC000096449582 402089713 /nfs/dbraw/zinc/08/97/13/402089713.db2.gz HWZCLXPRJJJUNM-UHFFFAOYSA-N -1 3 313.386 2.209 50 0 DEAAHM Cc1cc(F)c(S(=O)(=O)[N-]CCc2nccs2)cc1F ZINC000096475475 402093598 /nfs/dbraw/zinc/09/35/98/402093598.db2.gz KWYMUFQSRKSTHP-UHFFFAOYSA-N -1 3 318.370 2.251 50 0 DEAAHM Cc1ccc([O-])c(C(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)c1 ZINC000219286823 402298361 /nfs/dbraw/zinc/29/83/61/402298361.db2.gz CQICWTYQJUPMTB-HOTGVXAUSA-N -1 3 319.401 2.262 50 0 DEAAHM Oc1[n-]c(NCCOc2cccc3ccccc32)nc2nncc1-2 ZINC000170598838 402506526 /nfs/dbraw/zinc/50/65/26/402506526.db2.gz PPBNRJVUJURMNS-UHFFFAOYSA-N -1 3 321.340 2.290 50 0 DEAAHM CC(C)c1nccn1CC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000182804908 402717683 /nfs/dbraw/zinc/71/76/83/402717683.db2.gz 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O=c1[n-]c(=O)n(CCOc2ccc(F)cc2Cl)cc1Cl ZINC000093904299 193326627 /nfs/dbraw/zinc/32/66/27/193326627.db2.gz ALXQZCRSFYHFNL-UHFFFAOYSA-N -1 3 319.119 2.062 50 0 DEAAHM Cn1ncc2cc(-c3ccc([C@H]4NC(=O)[N-]C4=O)cc3)ccc21 ZINC000096162112 193558290 /nfs/dbraw/zinc/55/82/90/193558290.db2.gz KEYZRFOIMNOOGU-OAHLLOKOSA-N -1 3 306.325 2.121 50 0 DEAAHM Cc1ccc([O-])c(C(=O)NC[C@H]2CC(=O)N(C3CCCC3)C2)c1 ZINC000019146724 182105790 /nfs/dbraw/zinc/10/57/90/182105790.db2.gz ZFLZWBLCYFMLFA-CYBMUJFWSA-N -1 3 316.401 2.222 50 0 DEAAHM C[C@@H](NC(=O)CSc1n[n-]c([C@@H]2CCCO2)n1)c1ccco1 ZINC000022544405 182326115 /nfs/dbraw/zinc/32/61/15/182326115.db2.gz XDYHKXBASQCONC-KOLCDFICSA-N -1 3 322.390 2.219 50 0 DEAAHM Cc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)o1 ZINC000023307234 182356627 /nfs/dbraw/zinc/35/66/27/182356627.db2.gz KSWMGAFRRXZEHN-LLVKDONJSA-N -1 3 322.386 2.451 50 0 DEAAHM O=C(CCc1nc(-c2ccncc2)no1)[N-]OCc1ccccc1 ZINC000025039160 182399653 /nfs/dbraw/zinc/39/96/53/182399653.db2.gz 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CNC(=O)c1cnc(C=Cc2ccc(Cl)c(F)c2)[n-]c1=O ZINC000096297273 402076676 /nfs/dbraw/zinc/07/66/76/402076676.db2.gz DSZVGJLMBFKOTI-HYXAFXHYSA-N -1 3 307.712 2.092 50 0 DEAAHM CCc1cnc(CC[N-]S(=O)(=O)c2cccs2)s1 ZINC000096428650 402084820 /nfs/dbraw/zinc/08/48/20/402084820.db2.gz CHUXFNLURWDKJA-UHFFFAOYSA-N -1 3 302.446 2.288 50 0 DEAAHM COc1cc(OC)c(CN2CCC(OC)CC2)c(C(=O)[O-])c1 ZINC000097775685 402132636 /nfs/dbraw/zinc/13/26/36/402132636.db2.gz SCQUPLIYAGUNGF-UHFFFAOYSA-N -1 3 309.362 2.013 50 0 DEAAHM O=C(OCCc1cn[nH]c1)c1cn[n-]c1-c1c(F)cccc1F ZINC000097380180 402124012 /nfs/dbraw/zinc/12/40/12/402124012.db2.gz XVPDKKFJJSIDNP-UHFFFAOYSA-N -1 3 318.283 2.478 50 0 DEAAHM O=C(OCCc1cn[nH]c1)c1c[n-]nc1-c1c(F)cccc1F ZINC000097380180 402124016 /nfs/dbraw/zinc/12/40/16/402124016.db2.gz XVPDKKFJJSIDNP-UHFFFAOYSA-N -1 3 318.283 2.478 50 0 DEAAHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cc1ccc2ccccc2c1 ZINC000101128370 402143752 /nfs/dbraw/zinc/14/37/52/402143752.db2.gz QBZFGXDYKAMTOK-INIZCTEOSA-N -1 3 309.369 2.011 50 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CC(C)Oc1ccc([C@@H](C(=O)[O-])N(C)CCn2cccn2)cc1 ZINC000055168407 402077056 /nfs/dbraw/zinc/07/70/56/402077056.db2.gz MXHRERNGXSFAFQ-INIZCTEOSA-N -1 3 317.389 2.428 50 0 DEAAHM CCS(=O)(=O)[N-][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000096427737 402083993 /nfs/dbraw/zinc/08/39/93/402083993.db2.gz STECSDOQFAPWSJ-OAHLLOKOSA-N -1 3 318.398 2.306 50 0 DEAAHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cccnc2)on1 ZINC000096428448 402084695 /nfs/dbraw/zinc/08/46/95/402084695.db2.gz NCWDDKDUMDGNGI-UHFFFAOYSA-N -1 3 309.391 2.452 50 0 DEAAHM O=S(=O)(Cc1ccon1)[N-][C@@H]1CCC[C@@H]1Oc1ccccc1 ZINC000096427999 402084767 /nfs/dbraw/zinc/08/47/67/402084767.db2.gz IRKSXDJUUCDHLZ-CABCVRRESA-N -1 3 322.386 2.094 50 0 DEAAHM Cc1ccn(C)c(=O)c1NC(=O)Cc1ccc([O-])cc1Cl ZINC000097059719 402104099 /nfs/dbraw/zinc/10/40/99/402104099.db2.gz DQWPRLJBLYPUSK-UHFFFAOYSA-N -1 3 306.749 2.234 50 0 DEAAHM O=C(CNC(=O)c1ccc(F)cc1F)Nc1cccc([O-])c1F ZINC000097095689 402106626 /nfs/dbraw/zinc/10/66/26/402106626.db2.gz JSSLGXITSBXMQC-UHFFFAOYSA-N -1 3 324.258 2.178 50 0 DEAAHM COC[C@@H]1CCCN(Cc2c(OC)cc(OC)cc2C(=O)[O-])C1 ZINC000097713668 402131225 /nfs/dbraw/zinc/13/12/25/402131225.db2.gz YXGDVAMVSRWVIU-GFCCVEGCSA-N -1 3 323.389 2.260 50 0 DEAAHM Cc1ccc(C)c(N2CCN(c3nc(C)c(C)c(=O)[n-]3)CC2)c1 ZINC000065307520 402123788 /nfs/dbraw/zinc/12/37/88/402123788.db2.gz XOTJLYBQOZNOTL-UHFFFAOYSA-N -1 3 312.417 2.330 50 0 DEAAHM CO[C@@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccccc1 ZINC000069515942 402227928 /nfs/dbraw/zinc/22/79/28/402227928.db2.gz BNPXPJBRKVOXQW-MRVPVSSYSA-N -1 3 300.240 2.150 50 0 DEAAHM CO[C@@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000069515942 402227931 /nfs/dbraw/zinc/22/79/31/402227931.db2.gz BNPXPJBRKVOXQW-MRVPVSSYSA-N -1 3 300.240 2.150 50 0 DEAAHM O=C(c1cccc([O-])c1)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000069521204 402228932 /nfs/dbraw/zinc/22/89/32/402228932.db2.gz JUSBDKBHIBCFSR-UHFFFAOYSA-N -1 3 316.401 2.257 50 0 DEAAHM O=C(c1cccc2ccccc21)N1CC[C@@H](n2c([O-])coc2=O)C1 ZINC000225702333 402322085 /nfs/dbraw/zinc/32/20/85/402322085.db2.gz BIUQHCBLCKBWBZ-CYBMUJFWSA-N -1 3 324.336 2.033 50 0 DEAAHM O=S(=O)([N-]CCCc1cnoc1)c1ccc(Cl)s1 ZINC000252495254 402656189 /nfs/dbraw/zinc/65/61/89/402656189.db2.gz OOPOPEWXAJHYTB-UHFFFAOYSA-N -1 3 306.796 2.301 50 0 DEAAHM C[C@@]1(c2ccc(-c3noc(-c4ccoc4)n3)cc2)NC(=O)[N-]C1=O ZINC000253420256 402665452 /nfs/dbraw/zinc/66/54/52/402665452.db2.gz VGUAVSKARMNSLD-INIZCTEOSA-N -1 3 324.296 2.051 50 0 DEAAHM CN(CC1=Nc2ccccc2S(=O)(=O)[N-]1)C1CCCCC1 ZINC000329481419 404350947 /nfs/dbraw/zinc/35/09/47/404350947.db2.gz DJUVWGKMZLLHNF-UHFFFAOYSA-N -1 3 307.419 2.273 50 0 DEAAHM CN(CC(=O)N[C@H](CC(=O)[O-])c1ccccc1)C1CCCC1 ZINC000426488569 405363755 /nfs/dbraw/zinc/36/37/55/405363755.db2.gz YIKSPGCZQSHVOS-OAHLLOKOSA-N -1 3 304.390 2.193 50 0 DEAAHM CC1(C)CN(C(=O)c2c[nH]c(=O)[n-]c2=O)C[C@H]1c1ccccc1 ZINC000426406142 278326144 /nfs/dbraw/zinc/32/61/44/278326144.db2.gz MMNBFYLUSZAJNK-ZDUSSCGKSA-N -1 3 313.357 2.154 50 0 DEAAHM CC1(C)CN(c2nc3nncc-3c(O)[n-]2)Cc2ccccc2O1 ZINC000288779163 278345417 /nfs/dbraw/zinc/34/54/17/278345417.db2.gz DIQHLYJIRLXHHF-UHFFFAOYSA-N -1 3 311.345 2.236 50 0 DEAAHM Cc1nc(CC2CCN(C)CC2)nn1-c1ccccc1C(=O)[O-] ZINC000091391362 302585337 /nfs/dbraw/zinc/58/53/37/302585337.db2.gz UTAMZJKUPOBTMM-UHFFFAOYSA-N -1 3 314.389 2.158 50 0 DEAAHM O=c1[n-]n(C2CCOCC2)c2c1[C@@H](c1cccnc1)CC(=O)N2 ZINC000095478002 304814803 /nfs/dbraw/zinc/81/48/03/304814803.db2.gz MXSIMCOGHGJULT-GFCCVEGCSA-N -1 3 314.345 2.047 50 0 DEAAHM CN(C(=O)NCc1cc(=O)[n-]cn1)[C@@H]1CCCc2ccccc21 ZINC000534644734 334306705 /nfs/dbraw/zinc/30/67/05/334306705.db2.gz HEWZRQJWMMCURX-OAHLLOKOSA-N -1 3 312.373 2.401 50 0 DEAAHM Cc1ccccc1C(=O)NCC(=O)N1CCCc2cccc([O-])c21 ZINC000155550947 337383318 /nfs/dbraw/zinc/38/33/18/337383318.db2.gz VZLYHLBHYUEBBF-UHFFFAOYSA-N -1 3 324.380 2.410 50 0 DEAAHM O=S(=O)(Cc1ccccc1)[N-]c1cnn(-c2ccccn2)c1 ZINC000097230176 501080824 /nfs/dbraw/zinc/08/08/24/501080824.db2.gz FTYZLKYPTFDVKB-UHFFFAOYSA-N -1 3 314.370 2.209 50 0 DEAAHM CC1=CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000328588908 528101707 /nfs/dbraw/zinc/10/17/07/528101707.db2.gz YLOZMVFCXGMBAZ-OAHLLOKOSA-N -1 3 314.385 2.175 50 0 DEAAHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000888100252 635550350 /nfs/dbraw/zinc/55/03/50/635550350.db2.gz YTHSPHMDOLLLRK-OAGGEKHMSA-N -1 3 313.401 2.199 50 0 DEAAHM Cc1nc(NC2CCN(Cc3ccccc3)CC2)[n-]c(=O)c1C ZINC000065307519 539344525 /nfs/dbraw/zinc/34/45/25/539344525.db2.gz RZSPYFFGJUYYTN-UHFFFAOYSA-N -1 3 312.417 2.463 50 0 DEAAHM Cc1ccc2c(cccc2-c2nc3c([nH]2)[C@@H](C(=O)[O-])NCC3)n1 ZINC000077385232 539363226 /nfs/dbraw/zinc/36/32/26/539363226.db2.gz CBLICPGCONSRAE-HNNXBMFYSA-N -1 3 308.341 2.205 50 0 DEAAHM O=S(=O)([N-]Cc1ccnc(-c2cccs2)c1)c1c[nH]cn1 ZINC000225653320 186287237 /nfs/dbraw/zinc/28/72/37/186287237.db2.gz YBOWLJDTEBPVID-UHFFFAOYSA-N -1 3 320.399 2.012 50 0 DEAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(N)c2)cc1 ZINC000003885482 181052399 /nfs/dbraw/zinc/05/23/99/181052399.db2.gz HPLLPTUQWXUKNF-UHFFFAOYSA-N -1 3 322.386 2.477 50 0 DEAAHM O=C1CCC(=O)N1C(=S)[N-]c1ccc(Br)cc1 ZINC000075251283 355077240 /nfs/dbraw/zinc/07/72/40/355077240.db2.gz VFFTWAHNPZVKPT-UHFFFAOYSA-N -1 3 313.176 2.295 50 0 DEAAHM Cc1nnc(=S)[n-]c1Nc1ccc(N2CCOCC2)cc1 ZINC000005009323 181189900 /nfs/dbraw/zinc/18/99/00/181189900.db2.gz VVSWBBPBLBOWOY-UHFFFAOYSA-N -1 3 303.391 2.049 50 0 DEAAHM CCc1cc(=O)[n-]c(N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000005183588 181214455 /nfs/dbraw/zinc/21/44/55/181214455.db2.gz MFLRIGRZIWYJFM-UHFFFAOYSA-N -1 3 318.808 2.312 50 0 DEAAHM Cc1ccc(C(=O)Nc2cn[n-]c(=O)c2Br)cc1C ZINC000170598533 355987888 /nfs/dbraw/zinc/98/78/88/355987888.db2.gz NDZKUHQLOUWJOR-UHFFFAOYSA-N -1 3 322.162 2.402 50 0 DEAAHM CCN1C(=O)C(=Cc2cc(Cl)c([O-])c(OC)c2)NC1=S ZINC000006178180 181317835 /nfs/dbraw/zinc/31/78/35/181317835.db2.gz HOYBCUXRKBAWOQ-UITAMQMPSA-N -1 3 312.778 2.132 50 0 DEAAHM Cc1ncc(CN2CCN([C@@H](CC(C)C)C(=O)[O-])CC2)s1 ZINC000629487375 367219461 /nfs/dbraw/zinc/21/94/61/367219461.db2.gz DKZWPTAHGYAFKL-AWEZNQCLSA-N -1 3 311.451 2.068 50 0 DEAAHM O=C([N-]c1cc(F)ccc1F)c1cc(CN2CCOCC2)on1 ZINC000015769455 182015771 /nfs/dbraw/zinc/01/57/71/182015771.db2.gz ZPNTVILECBRTDQ-UHFFFAOYSA-N -1 3 323.299 2.037 50 0 DEAAHM COc1ccc(Cl)c2c(=O)c(CN3CCOCC3)c(C)[n-]c12 ZINC000019793513 182150048 /nfs/dbraw/zinc/15/00/48/182150048.db2.gz MKVCFGJHNUDOGG-UHFFFAOYSA-N -1 3 322.792 2.331 50 0 DEAAHM CCOc1cc(C(=S)N2CCN(C)CC2)cc(Cl)c1[O-] ZINC000019890080 182160602 /nfs/dbraw/zinc/16/06/02/182160602.db2.gz XEYYTJPBGHGMOY-UHFFFAOYSA-N -1 3 314.838 2.367 50 0 DEAAHM O=C(Nc1ccccc1[O-])c1cc(-n2cnnn2)ccc1Cl ZINC000020734769 182245281 /nfs/dbraw/zinc/24/52/81/182245281.db2.gz PTWQVPJUHINHSX-UHFFFAOYSA-N -1 3 315.720 2.274 50 0 DEAAHM O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1ncccc1[O-] ZINC000022102374 182309167 /nfs/dbraw/zinc/30/91/67/182309167.db2.gz SLONXFWNZTWLGL-GFCCVEGCSA-N -1 3 311.341 2.317 50 0 DEAAHM CN(CCOc1ccccc1)Cc1nc(=O)c2ccsc2[n-]1 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C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccc([O-])cc2)[C@@H]1C ZINC000005061170 181198968 /nfs/dbraw/zinc/19/89/68/181198968.db2.gz KMQWSQPEAMQTIM-JMSVASOKSA-N -1 3 305.374 2.490 50 0 DEAAHM CC(C)c1ccc([O-])c(C(=O)NCCn2cnnc2C2CC2)c1 ZINC000170644311 355990855 /nfs/dbraw/zinc/99/08/55/355990855.db2.gz QKVZAXKTWFYBCU-UHFFFAOYSA-N -1 3 314.389 2.415 50 0 DEAAHM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCN(C2CCCCC2)CC1 ZINC000017056178 304107239 /nfs/dbraw/zinc/10/72/39/304107239.db2.gz FCKFSDSPCXACQL-JKSUJKDBSA-N -1 3 322.449 2.354 50 0 DEAAHM COC[C@H]1CN(Cc2cc([O-])ccc2Br)CCO1 ZINC000093529258 193265609 /nfs/dbraw/zinc/26/56/09/193265609.db2.gz VAXZIMFDQFWZBS-GFCCVEGCSA-N -1 3 316.195 2.002 50 0 DEAAHM COc1ccc([N-]S(=O)(=O)c2ccc(N)cc2)cc1OC ZINC000019987486 182174618 /nfs/dbraw/zinc/17/46/18/182174618.db2.gz ZHGWWAAMLZNOMU-UHFFFAOYSA-N -1 3 308.359 2.087 50 0 DEAAHM O=C(Nc1ccc(C(=O)Nc2ncccc2[O-])cc1)NC1CC1 ZINC000041687548 183217594 /nfs/dbraw/zinc/21/75/94/183217594.db2.gz GLXLHVCUHVQZHJ-UHFFFAOYSA-N 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/nfs/dbraw/zinc/03/24/06/292032406.db2.gz PEPCLTHVIIYUSZ-HNNXBMFYSA-N -1 3 308.341 2.205 50 0 DEAAHM CC(C)Cn1ccnc1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000074374771 401736980 /nfs/dbraw/zinc/73/69/80/401736980.db2.gz UPVFUQRHSNTPQM-UHFFFAOYSA-N -1 3 320.368 2.383 50 0 DEAAHM Cc1nn2c(nnc2S[C@@H]2CCc3ccc(F)cc32)[n-]c1=O ZINC000075093484 401749314 /nfs/dbraw/zinc/74/93/14/401749314.db2.gz CQOWBSKXCLPEQE-LLVKDONJSA-N -1 3 317.349 2.452 50 0 DEAAHM O=C([N-]N1C(=O)c2ccccc2C1=O)c1cccc(Cl)c1 ZINC000000238818 401691784 /nfs/dbraw/zinc/69/17/84/401691784.db2.gz RCKVLSGVNQYHIH-UHFFFAOYSA-N -1 3 300.701 2.281 50 0 DEAAHM O=S(=O)([N-]Cc1ccco1)c1cnc(Cl)c(Cl)c1 ZINC000000347101 401694918 /nfs/dbraw/zinc/69/49/18/401694918.db2.gz MJVVEHRYJDWUNF-UHFFFAOYSA-N -1 3 307.158 2.460 50 0 DEAAHM Cc1ccc(C[C@@H](NC(=O)c2c[n-]nn2)c2ccccn2)cc1 ZINC000071908939 401696192 /nfs/dbraw/zinc/69/61/92/401696192.db2.gz RXLUCSTUHPANFW-OAHLLOKOSA-N -1 3 307.357 2.222 50 0 DEAAHM Cc1ccc(C[C@@H](NC(=O)c2cnn[n-]2)c2ccccn2)cc1 ZINC000071908939 401696194 /nfs/dbraw/zinc/69/61/94/401696194.db2.gz RXLUCSTUHPANFW-OAHLLOKOSA-N -1 3 307.357 2.222 50 0 DEAAHM Cc1ccc(C[C@@H](NC(=O)c2cn[n-]n2)c2ccccn2)cc1 ZINC000071908939 401696198 /nfs/dbraw/zinc/69/61/98/401696198.db2.gz RXLUCSTUHPANFW-OAHLLOKOSA-N -1 3 307.357 2.222 50 0 DEAAHM CCOc1cccc(C(=O)[N-]N2C(=O)c3ccccc3C2=O)c1 ZINC000000453740 401698541 /nfs/dbraw/zinc/69/85/41/401698541.db2.gz UNMYOFYXVOSBLF-UHFFFAOYSA-N -1 3 310.309 2.026 50 0 DEAAHM CC(C)(C)[N-]S(=O)(=O)c1ccc(-c2csnn2)s1 ZINC000001404496 401706359 /nfs/dbraw/zinc/70/63/59/401706359.db2.gz NDDOEQWJQPJDCA-UHFFFAOYSA-N -1 3 303.434 2.343 50 0 DEAAHM Cn1ccc(C(=O)[N-]c2nnc(-c3cc4ccccc4o3)o2)n1 ZINC000013667645 401802338 /nfs/dbraw/zinc/80/23/38/401802338.db2.gz SVTDANSGSLQRPB-UHFFFAOYSA-N -1 3 309.285 2.469 50 0 DEAAHM Cc1ccc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)c([O-])c1 ZINC000014137433 401807820 /nfs/dbraw/zinc/80/78/20/401807820.db2.gz WXFJLRCRHQOOQA-UHFFFAOYSA-N -1 3 319.382 2.498 50 0 DEAAHM C[C@@H]1CC[C@H](CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)O1 ZINC000075189488 401753723 /nfs/dbraw/zinc/75/37/23/401753723.db2.gz RLUJJSXGAQCXRL-ZWNOBZJWSA-N -1 3 301.350 2.153 50 0 DEAAHM C[C@@H]1CC[C@H](CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)O1 ZINC000075189488 401753728 /nfs/dbraw/zinc/75/37/28/401753728.db2.gz RLUJJSXGAQCXRL-ZWNOBZJWSA-N -1 3 301.350 2.153 50 0 DEAAHM O=S(=O)([N-]C[C@@H](O)c1ccoc1)c1ccc(Cl)s1 ZINC000075171838 401754016 /nfs/dbraw/zinc/75/40/16/401754016.db2.gz OBRJZMIEEVESPK-MRVPVSSYSA-N -1 3 307.780 2.006 50 0 DEAAHM O=C([N-]C1=NCCS1)c1c[nH]c(=S)n1-c1ccccc1 ZINC000009909127 401766876 /nfs/dbraw/zinc/76/68/76/401766876.db2.gz VNGUUPYGZMIJTE-UHFFFAOYSA-N -1 3 304.400 2.367 50 0 DEAAHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cccc(C)n2)c1 ZINC000076041634 401778350 /nfs/dbraw/zinc/77/83/50/401778350.db2.gz PTWSMWMJAJOZLK-UHFFFAOYSA-N -1 3 319.386 2.322 50 0 DEAAHM COc1cccc(-c2cc(CC(=O)[N-]C3=NCCS3)no2)c1 ZINC000012865936 401792857 /nfs/dbraw/zinc/79/28/57/401792857.db2.gz 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ZINC000032652530 401881014 /nfs/dbraw/zinc/88/10/14/401881014.db2.gz YJMVNPZIVXZDMU-XVKPBYJWSA-N -1 3 322.233 2.360 50 0 DEAAHM Cc1ccc(F)c(S(=O)(=O)[N-]CCN2CCC(C)CC2)c1 ZINC000045745017 401961373 /nfs/dbraw/zinc/96/13/73/401961373.db2.gz XQEFYFWONWLKIV-UHFFFAOYSA-N -1 3 314.426 2.144 50 0 DEAAHM Cc1nc(CN2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)n[nH]1 ZINC000095358637 402027623 /nfs/dbraw/zinc/02/76/23/402027623.db2.gz DTHSWMWOFRUZJJ-AWEZNQCLSA-N -1 3 300.362 2.191 50 0 DEAAHM Cc1ccc([O-])c(CN(C)Cc2ccc3c(c2)OCCO3)n1 ZINC000095982299 402042337 /nfs/dbraw/zinc/04/23/37/402042337.db2.gz PCTXXXIOEYKKTG-UHFFFAOYSA-N -1 3 300.358 2.499 50 0 DEAAHM O=C(Nc1cnn([C@@H]2CCOC2)c1)c1cc(-c2ccco2)[n-]n1 ZINC000096123010 402061049 /nfs/dbraw/zinc/06/10/49/402061049.db2.gz DHUDVWZSSZTCHJ-LLVKDONJSA-N -1 3 313.317 2.080 50 0 DEAAHM O=C(Nc1cnn([C@@H]2CCOC2)c1)c1cc(-c2ccco2)n[n-]1 ZINC000096123010 402061050 /nfs/dbraw/zinc/06/10/50/402061050.db2.gz DHUDVWZSSZTCHJ-LLVKDONJSA-N -1 3 313.317 2.080 50 0 DEAAHM Cc1c(C(=O)Nc2ncccc2[O-])nnn1-c1ccc(C)cc1 ZINC000055286303 402079304 /nfs/dbraw/zinc/07/93/04/402079304.db2.gz FIKNWFKQRVDWMM-UHFFFAOYSA-N -1 3 309.329 2.237 50 0 DEAAHM Cc1ccoc1C(=O)NCCCNC(=O)c1ccc(C)cc1[O-] ZINC000096413993 402080613 /nfs/dbraw/zinc/08/06/13/402080613.db2.gz PYAODYABGLDMTA-UHFFFAOYSA-N -1 3 316.357 2.152 50 0 DEAAHM CCOC(=O)c1cc(NC(=O)[C@@H](C)c2cccc(F)c2)n[n-]1 ZINC000097046494 402102488 /nfs/dbraw/zinc/10/24/88/402102488.db2.gz DFDPKMMLHKYLTP-VIFPVBQESA-N -1 3 305.309 2.468 50 0 DEAAHM CCOC(=O)c1cc(NC(=O)[C@@H](C)c2cccc(F)c2)[n-]n1 ZINC000097046494 402102491 /nfs/dbraw/zinc/10/24/91/402102491.db2.gz DFDPKMMLHKYLTP-VIFPVBQESA-N -1 3 305.309 2.468 50 0 DEAAHM Cc1n[nH]c(CN2CCC(c3cc(=O)[n-]c(C)n3)CC2)c1Cl ZINC000097087994 402105968 /nfs/dbraw/zinc/10/59/68/402105968.db2.gz WEALLABJXWJABM-UHFFFAOYSA-N -1 3 321.812 2.143 50 0 DEAAHM Cc1c(C(=O)Nc2ncccc2[O-])nnn1-c1cccc(C)c1 ZINC000054130982 402063181 /nfs/dbraw/zinc/06/31/81/402063181.db2.gz JLKWZFLOWGTGJF-UHFFFAOYSA-N -1 3 309.329 2.237 50 0 DEAAHM Cc1cccn2c(=O)c(C(=O)N[C@H]3CCCC[C@H]3C)c([O-])nc12 ZINC000101063712 402143335 /nfs/dbraw/zinc/14/33/35/402143335.db2.gz ZFHFNTZNOGLWQN-PWSUYJOCSA-N -1 3 315.373 2.017 50 0 DEAAHM O=C1C=C([O-])[C@H](n2cncn2)[C@H](c2c(F)cccc2Cl)C1 ZINC000100927447 402142973 /nfs/dbraw/zinc/14/29/73/402142973.db2.gz LWEPJVULZOFUOE-LKFCYVNXSA-N -1 3 307.712 2.328 50 0 DEAAHM c1csc(-c2c(-c3ccccc3)ncn2CCc2nnn[n-]2)n1 ZINC000067855410 402175392 /nfs/dbraw/zinc/17/53/92/402175392.db2.gz RYBYMXVQONQGAG-UHFFFAOYSA-N -1 3 323.385 2.429 50 0 DEAAHM c1csc(-c2c(-c3ccccc3)ncn2CCc2nn[n-]n2)n1 ZINC000067855410 402175394 /nfs/dbraw/zinc/17/53/94/402175394.db2.gz RYBYMXVQONQGAG-UHFFFAOYSA-N -1 3 323.385 2.429 50 0 DEAAHM COc1cc(/C=C2/C(=O)N(C)C(=S)N2C)cc(Cl)c1[O-] ZINC000004901887 286190181 /nfs/dbraw/zinc/19/01/81/286190181.db2.gz GULHJKROWDVCCP-UITAMQMPSA-N -1 3 312.778 2.084 50 0 DEAAHM O=C(NC[C@H]1OCCc2ccccc21)c1ccc2n[n-]nc2c1 ZINC000215998104 402286381 /nfs/dbraw/zinc/28/63/81/402286381.db2.gz VWUCIJSVBPRIGR-MRXNPFEDSA-N -1 3 308.341 2.002 50 0 DEAAHM C[C@H](C(=O)[O-])N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000237440147 402408408 /nfs/dbraw/zinc/40/84/08/402408408.db2.gz YALXERPZTSATRB-LLVKDONJSA-N -1 3 316.323 2.296 50 0 DEAAHM Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2c[n-]nn2)C1 ZINC000171012203 402549622 /nfs/dbraw/zinc/54/96/22/402549622.db2.gz ZQAOFJGWWYEMSS-LLVKDONJSA-N -1 3 319.796 2.023 50 0 DEAAHM Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2cnn[n-]2)C1 ZINC000171012203 402549624 /nfs/dbraw/zinc/54/96/24/402549624.db2.gz ZQAOFJGWWYEMSS-LLVKDONJSA-N -1 3 319.796 2.023 50 0 DEAAHM Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2cn[n-]n2)C1 ZINC000171012203 402549628 /nfs/dbraw/zinc/54/96/28/402549628.db2.gz ZQAOFJGWWYEMSS-LLVKDONJSA-N -1 3 319.796 2.023 50 0 DEAAHM Fc1ccc(-c2noc(CSCCc3nnn[n-]3)n2)cc1F ZINC000585118149 405870666 /nfs/dbraw/zinc/87/06/66/405870666.db2.gz DPAHXEUYYPASIQ-UHFFFAOYSA-N -1 3 324.316 2.004 50 0 DEAAHM Fc1ccc(-c2noc(CSCCc3nn[n-]n3)n2)cc1F ZINC000585118149 405870674 /nfs/dbraw/zinc/87/06/74/405870674.db2.gz DPAHXEUYYPASIQ-UHFFFAOYSA-N -1 3 324.316 2.004 50 0 DEAAHM Cn1cnc(S(=O)(=O)[N-]Cc2ccc(-c3ccsc3)o2)c1 ZINC000575611843 406814237 /nfs/dbraw/zinc/81/42/37/406814237.db2.gz YETFVQXJKUZRAV-UHFFFAOYSA-N -1 3 323.399 2.220 50 0 DEAAHM Cc1cnc(C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cn1 ZINC000047318124 424824678 /nfs/dbraw/zinc/82/46/78/424824678.db2.gz GBCVVPFQINQXCZ-UHFFFAOYSA-N -1 3 321.340 2.096 50 0 DEAAHM CCCn1cc(NC(=O)c2ccc(OC)cc2[O-])ccc1=O ZINC000047288446 424825463 /nfs/dbraw/zinc/82/54/63/424825463.db2.gz RNTBPAUYNXVIGS-UHFFFAOYSA-N -1 3 302.330 2.225 50 0 DEAAHM CCc1cc(CN2CC[C@@](C(=O)[O-])(c3ccccc3)C2)on1 ZINC000534632889 334308056 /nfs/dbraw/zinc/30/80/56/334308056.db2.gz AXQOGOWUYZMOJB-KRWDZBQOSA-N -1 3 300.358 2.465 50 0 DEAAHM Cc1cc([O-])ccc1C(=O)N1CCN(C2CCCCC2)C(=O)C1 ZINC000426597359 230807655 /nfs/dbraw/zinc/80/76/55/230807655.db2.gz FFTKPSQUKGFNIO-UHFFFAOYSA-N -1 3 316.401 2.318 50 0 DEAAHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccon2)c(F)cc1F ZINC000095461650 185371007 /nfs/dbraw/zinc/37/10/07/185371007.db2.gz ZTJGFBMPTAYCNQ-MRVPVSSYSA-N -1 3 302.302 2.301 50 0 DEAAHM CCc1nnc(S(=O)(=O)[C@H]2CCc3c2cccc3Cl)[n-]1 ZINC000097020749 185398372 /nfs/dbraw/zinc/39/83/72/185398372.db2.gz ZHIPKARHPINCSU-NSHDSACASA-N -1 3 311.794 2.482 50 0 DEAAHM CCc1n[n-]c(S(=O)(=O)[C@H]2CCc3c2cccc3Cl)n1 ZINC000097020749 185398373 /nfs/dbraw/zinc/39/83/73/185398373.db2.gz ZHIPKARHPINCSU-NSHDSACASA-N -1 3 311.794 2.482 50 0 DEAAHM CN(C)CCN(Cc1cccnc1)C(=O)c1c([O-])cccc1F ZINC000120235021 355790047 /nfs/dbraw/zinc/79/00/47/355790047.db2.gz MOKBQGINAKIOSB-UHFFFAOYSA-N -1 3 317.364 2.130 50 0 DEAAHM Cc1cc([O-])cc(C(=O)NCCN2C(=S)N=NC2C(C)C)c1 ZINC000170649495 355990805 /nfs/dbraw/zinc/99/08/05/355990805.db2.gz SRAVZAMUTFQYRF-UHFFFAOYSA-N -1 3 320.418 2.134 50 0 DEAAHM O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)c1nc[n-]n1 ZINC000005633829 181266763 /nfs/dbraw/zinc/26/67/63/181266763.db2.gz LPNPMJCLIVTHLC-UHFFFAOYSA-N -1 3 313.361 2.120 50 0 DEAAHM O=C(c1ccccc1OC(F)F)N1NC=C[C@@]1([O-])C(F)(F)F ZINC000006402674 181338456 /nfs/dbraw/zinc/33/84/56/181338456.db2.gz HYVVUZNDBRWLJN-LLVKDONJSA-N -1 3 324.205 2.371 50 0 DEAAHM Cc1nc(C)c(CCC(=O)NCc2cccc(Cl)c2)c(=O)[n-]1 ZINC000016469871 182045746 /nfs/dbraw/zinc/04/57/46/182045746.db2.gz BQDFOOLSZFOAFI-UHFFFAOYSA-N -1 3 319.792 2.289 50 0 DEAAHM O=C([N-]N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccccc1Cl ZINC000018244900 182100537 /nfs/dbraw/zinc/10/05/37/182100537.db2.gz VDMDENWJWFIHTD-UWVGGRQHSA-N -1 3 306.749 2.160 50 0 DEAAHM CCOC(=O)c1[n-]cnc1C(=O)N(C)[C@@H](C)c1nc(C)cs1 ZINC000097642293 193741923 /nfs/dbraw/zinc/74/19/23/193741923.db2.gz QGJQPHDLIAAOEA-VIFPVBQESA-N -1 3 322.390 2.185 50 0 DEAAHM CCOC(=O)c1nc[n-]c1C(=O)N(C)[C@@H](C)c1nc(C)cs1 ZINC000097642293 193741925 /nfs/dbraw/zinc/74/19/25/193741925.db2.gz QGJQPHDLIAAOEA-VIFPVBQESA-N -1 3 322.390 2.185 50 0 DEAAHM CCOC(=O)c1c(C)oc2nc(CN3CCCCC3)[n-]c(=O)c21 ZINC000021578220 182280782 /nfs/dbraw/zinc/28/07/82/182280782.db2.gz LWHHHQGOJICPQX-UHFFFAOYSA-N -1 3 319.361 2.399 50 0 DEAAHM CCOc1ccc(C(=O)CCC(=O)[N-]C2=NCCS2)cc1 ZINC000023077502 182347009 /nfs/dbraw/zinc/34/70/09/182347009.db2.gz NWVWIEKLKWZJIN-UHFFFAOYSA-N -1 3 306.387 2.267 50 0 DEAAHM Cc1ccc(C(=O)Nc2ccccc2[O-])cc1NS(C)(=O)=O ZINC000040490456 183079705 /nfs/dbraw/zinc/07/97/05/183079705.db2.gz VBAIQCBLLJTRHV-UHFFFAOYSA-N -1 3 320.370 2.324 50 0 DEAAHM CN(C)C(=O)COc1ccccc1C(=O)Nc1ccccc1[O-] ZINC000042035921 183230249 /nfs/dbraw/zinc/23/02/49/183230249.db2.gz GBKHNWZRVLHWDI-UHFFFAOYSA-N -1 3 314.341 2.112 50 0 DEAAHM CCOc1cc2c(cc1CN1CC[C@@H](C(=O)[O-])C1)O[C@H](C)C2 ZINC000172672732 257239262 /nfs/dbraw/zinc/23/92/62/257239262.db2.gz FGIFWKFBGUAEMQ-VXGBXAGGSA-N -1 3 305.374 2.315 50 0 DEAAHM Cc1ccc(NC(=O)Cn2ncc(=O)c3ccccc32)c([O-])c1 ZINC000007960400 401745602 /nfs/dbraw/zinc/74/56/02/401745602.db2.gz KPEICRLMXWMLLP-UHFFFAOYSA-N -1 3 309.325 2.049 50 0 DEAAHM O=C1O[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21 ZINC000000091657 401688035 /nfs/dbraw/zinc/68/80/35/401688035.db2.gz GDQCCWGZUTXXHL-CYBMUJFWSA-N -1 3 323.757 2.488 50 0 DEAAHM COc1cc(CN2CCC(O)CC2)cc(Br)c1[O-] ZINC000000201309 401690006 /nfs/dbraw/zinc/69/00/06/401690006.db2.gz VAJHBGVWHDCLES-UHFFFAOYSA-N -1 3 316.195 2.120 50 0 DEAAHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCCOC)c2)n1 ZINC000071931296 401698477 /nfs/dbraw/zinc/69/84/77/401698477.db2.gz XKJIAZYLWFLZET-UHFFFAOYSA-N -1 3 315.373 2.364 50 0 DEAAHM CCOc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000000618809 401701995 /nfs/dbraw/zinc/70/19/95/401701995.db2.gz VQLCNCWYYOIFRO-UHFFFAOYSA-N -1 3 310.309 2.221 50 0 DEAAHM CCOC(=O)[C@@]([N-]c1ccc(F)cc1)(NC(C)=O)C(F)(F)F ZINC000002317067 401712715 /nfs/dbraw/zinc/71/27/15/401712715.db2.gz VDIPNGWREPJZLR-LBPRGKRZSA-N -1 3 322.258 2.195 50 0 DEAAHM O=C(c1cnc[n-]c1=O)N1CCC(CCc2ccccc2)CC1 ZINC000077521921 401818732 /nfs/dbraw/zinc/81/87/32/401818732.db2.gz MFMWEEIIBBXZGY-UHFFFAOYSA-N -1 3 311.385 2.255 50 0 DEAAHM COCCCn1ccc([N-]c2nccc(C(F)(F)F)n2)n1 ZINC000078334589 401847679 /nfs/dbraw/zinc/84/76/79/401847679.db2.gz HCZAXPCXRYGWPU-UHFFFAOYSA-N -1 3 301.272 2.472 50 0 DEAAHM Cc1ccc(NC(=O)CSc2[n-]c(=O)nnc2C)cc1Cl ZINC000031773527 401873369 /nfs/dbraw/zinc/87/33/69/401873369.db2.gz GYLSTUHTKRNJIW-UHFFFAOYSA-N -1 3 324.793 2.166 50 0 DEAAHM Cc1nc(C)c(CCC(=O)N(C)Cc2cccc(F)c2)c(=O)[n-]1 ZINC000032841533 401884453 /nfs/dbraw/zinc/88/44/53/401884453.db2.gz MXULQMLJCPBHGD-UHFFFAOYSA-N -1 3 317.364 2.117 50 0 DEAAHM O=C(CNC(=O)c1cccc([O-])c1)N[C@@H](c1ccccc1)C1CC1 ZINC000095945643 402035582 /nfs/dbraw/zinc/03/55/82/402035582.db2.gz XRPPVHXMJFWMOG-SFHVURJKSA-N -1 3 324.380 2.390 50 0 DEAAHM Cc1ccc([O-])c(CN[C@H](C[S@](C)=O)c2ccccc2)n1 ZINC000097058950 402104037 /nfs/dbraw/zinc/10/40/37/402104037.db2.gz XYHKAHAILRIWSA-QVKFZJNVSA-N -1 3 304.415 2.305 50 0 DEAAHM CCN(Cc1cccc(C)c1)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000097080357 402104478 /nfs/dbraw/zinc/10/44/78/402104478.db2.gz RFWYMACMMVDGAM-UHFFFAOYSA-N -1 3 324.384 2.232 50 0 DEAAHM CC(=O)N(C1=C([O-])N(c2ccccc2)C(=O)C1)c1ccccc1 ZINC000100269667 402140598 /nfs/dbraw/zinc/14/05/98/402140598.db2.gz XUCXYRLQCZRJJO-MRXNPFEDSA-N -1 3 308.337 2.372 50 0 DEAAHM C[C@@H](NC(=O)CCCN1CCCC1=O)c1ccc([O-])c(F)c1 ZINC000216405448 402288604 /nfs/dbraw/zinc/28/86/04/402288604.db2.gz QASLJRSFTVEFBZ-LLVKDONJSA-N -1 3 308.353 2.111 50 0 DEAAHM Cc1csc(=O)n1CCc1nc(-c2ccc([O-])cc2)no1 ZINC000225555224 402321194 /nfs/dbraw/zinc/32/11/94/402321194.db2.gz GIAXRBORIBCFJJ-UHFFFAOYSA-N -1 3 303.343 2.217 50 0 DEAAHM CC[C@@H](C(=O)[O-])N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000191412173 402668087 /nfs/dbraw/zinc/66/80/87/402668087.db2.gz LJEKQDJVFMIEBD-AWEZNQCLSA-N -1 3 324.808 2.351 50 0 DEAAHM CCN(C[C@H]1CCCCO1)C(=O)Nc1cccc2n[n-]nc21 ZINC000299766151 403569631 /nfs/dbraw/zinc/56/96/31/403569631.db2.gz BPQQRAROEPGJBL-LLVKDONJSA-N -1 3 303.366 2.381 50 0 DEAAHM O=C(Nc1ccccc1-c1cn2c(n1)CCCC2)c1nc[n-]n1 ZINC000575618572 406815144 /nfs/dbraw/zinc/81/51/44/406815144.db2.gz DGCUDWKHGCVJEY-UHFFFAOYSA-N -1 3 308.345 2.257 50 0 DEAAHM CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCCCC2)cs1 ZINC000045961785 424818664 /nfs/dbraw/zinc/81/86/64/424818664.db2.gz INGVFPHFXYWUCW-UHFFFAOYSA-N -1 3 316.448 2.063 50 0 DEAAHM O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccccc1[O-] ZINC000010454534 331520698 /nfs/dbraw/zinc/52/06/98/331520698.db2.gz AEOFUIAKJGHVNO-UHFFFAOYSA-N -1 3 310.353 2.449 50 0 DEAAHM CCCN(Cc1ccsc1)C(=O)NCc1cc(=O)[n-]cn1 ZINC000534650516 334311737 /nfs/dbraw/zinc/31/17/37/334311737.db2.gz YJCJVPSDTFSHJL-UHFFFAOYSA-N -1 3 306.391 2.366 50 0 DEAAHM COC(=O)[C@@H](NC(=O)c1cc(C)ccc1[O-])c1cccc(O)c1 ZINC000408513808 534274328 /nfs/dbraw/zinc/27/43/28/534274328.db2.gz CIHRNNOXDOGRPO-HNNXBMFYSA-N -1 3 315.325 2.050 50 0 DEAAHM CCCN(Cc1cccc(Cl)c1)C(=O)c1cc(=O)[n-]c(=O)[nH]1 ZINC000063856581 683922955 /nfs/dbraw/zinc/92/29/55/683922955.db2.gz XVYRUSRFBMAQLP-UHFFFAOYSA-N -1 3 321.764 2.181 50 0 DEAAHM CC(=O)N[C@H](CC(=O)Nc1ncccc1[O-])c1cccs1 ZINC000096936873 185393031 /nfs/dbraw/zinc/39/30/31/185393031.db2.gz WWOLYUHRDVXYDJ-SNVBAGLBSA-N -1 3 305.359 2.055 50 0 DEAAHM O=S(=O)([N-]c1ccncc1F)c1ccc2c(c1)OCCCO2 ZINC000095444317 185367126 /nfs/dbraw/zinc/36/71/26/185367126.db2.gz KXOIKORGJJMEFX-UHFFFAOYSA-N -1 3 324.333 2.183 50 0 DEAAHM CC[C@H](C)[N-]S(=O)(=O)c1ccc(-c2csnn2)s1 ZINC000003104617 180981414 /nfs/dbraw/zinc/98/14/14/180981414.db2.gz ZFPUFLVYWKJKKS-ZETCQYMHSA-N -1 3 303.434 2.343 50 0 DEAAHM Cc1ccc([O-])c(/C=C2\NC(=S)N(C3CCCCC3)C2=O)n1 ZINC000102091335 355710890 /nfs/dbraw/zinc/71/08/90/355710890.db2.gz YVAGGGHFNPFPJC-LCYFTJDESA-N -1 3 317.414 2.486 50 0 DEAAHM COc1ccc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)c([O-])c1 ZINC000094148958 193346633 /nfs/dbraw/zinc/34/66/33/193346633.db2.gz NNDLGNVBNKFDHT-CQSZACIVSA-N -1 3 301.346 2.491 50 0 DEAAHM COc1ccc(OC)c(NC(=O)c2cc(=O)c(OC)c[n-]2)c1 ZINC000016968351 182067225 /nfs/dbraw/zinc/06/72/25/182067225.db2.gz QOBSMJUGGOCLMJ-UHFFFAOYSA-N -1 3 304.302 2.065 50 0 DEAAHM CCS(=O)(=O)[N-]c1cnn(Cc2c(F)cccc2Cl)c1 ZINC000017054454 182071990 /nfs/dbraw/zinc/07/19/90/182071990.db2.gz QVIFQJRKGSRZAN-UHFFFAOYSA-N -1 3 317.773 2.486 50 0 DEAAHM Cc1cc([N-]C(=O)[C@H](C)Nc2ccc3c(c2)OCCO3)on1 ZINC000022693228 182331427 /nfs/dbraw/zinc/33/14/27/182331427.db2.gz PIYVCFFOEWOKMO-JTQLQIEISA-N -1 3 303.318 2.193 50 0 DEAAHM O=S(=O)([N-]Cc1cnn(-c2ccccc2)c1)c1cccs1 ZINC000024468948 182381937 /nfs/dbraw/zinc/38/19/37/182381937.db2.gz XSUIJDMVCWTTCS-UHFFFAOYSA-N -1 3 319.411 2.412 50 0 DEAAHM COc1ccc(CC(=O)[N-]OCc2ccccc2)cc1OC ZINC000025037569 182399922 /nfs/dbraw/zinc/39/99/22/182399922.db2.gz NJMKRYOOCNSXBB-UHFFFAOYSA-N -1 3 301.342 2.494 50 0 DEAAHM Cc1[n-][nH]c(=O)c1CCNC(=O)C[C@@H](C)Cc1cccc(F)c1 ZINC000531055657 284503581 /nfs/dbraw/zinc/50/35/81/284503581.db2.gz UDIPMXOWOINXDA-NHYWBVRUSA-N -1 3 319.380 2.023 50 0 DEAAHM O=C(CSc1n[n-]c([C@@H]2CCCO2)n1)NC1CCCCC1 ZINC000032873989 182673298 /nfs/dbraw/zinc/67/32/98/182673298.db2.gz WTTNUFGQZRSLFL-NSHDSACASA-N -1 3 310.423 2.197 50 0 DEAAHM 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322.368 2.493 50 0 DEAAHM Cc1nc2cc(C(=O)N[C@H]3C[C@H](c4cc(=O)[n-]cn4)C3)ccc2[nH]1 ZINC000253535516 563784410 /nfs/dbraw/zinc/78/44/10/563784410.db2.gz YLGPTYQRQOHZQJ-HAQNSBGRSA-N -1 3 323.356 2.043 50 0 DEAAHM C[C@H](CC(=O)NCCCc1c[n-][nH]c1=O)Cc1cccc(F)c1 ZINC000585127719 790322470 /nfs/dbraw/zinc/32/24/70/790322470.db2.gz HUCJUIGARQJOHS-JSGCOSHPSA-N -1 3 319.380 2.023 50 0 DEAAHM Cc1ccc(N2CCC(NCc3n[nH]c(=O)[n-]3)CC2)cc1Cl ZINC000825186651 783620516 /nfs/dbraw/zinc/62/05/16/783620516.db2.gz LAIWBTWLLALPSD-UHFFFAOYSA-N -1 3 321.812 2.231 50 0 DEAAHM O=S(=O)([N-]CC[C@@H](O)c1ccoc1)c1ccc(Cl)s1 ZINC000090613102 185306673 /nfs/dbraw/zinc/30/66/73/185306673.db2.gz NNULVJRIRCFVAD-SECBINFHSA-N -1 3 321.807 2.397 50 0 DEAAHM Nc1ncccc1CN1CC[C@@H](Cc2cccc(C(=O)[O-])c2)C1 ZINC000072134715 191046495 /nfs/dbraw/zinc/04/64/95/191046495.db2.gz XZJGOQLIQSGGTQ-AWEZNQCLSA-N -1 3 311.385 2.427 50 0 DEAAHM O=C(Nc1cccc2c1C(=O)[N-]C2=O)c1ccc(F)cc1F ZINC000003286370 181000036 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ZINC000011990614 401778279 /nfs/dbraw/zinc/77/82/79/401778279.db2.gz FQSSVQJCWHFEQC-UHFFFAOYSA-N -1 3 304.375 2.233 50 0 DEAAHM Cc1cc(CNC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000026054566 401838756 /nfs/dbraw/zinc/83/87/56/401838756.db2.gz GPUUZRFEBPWDLT-UHFFFAOYSA-N -1 3 311.320 2.244 50 0 DEAAHM Cc1cc(CNC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000026054566 401838758 /nfs/dbraw/zinc/83/87/58/401838758.db2.gz GPUUZRFEBPWDLT-UHFFFAOYSA-N -1 3 311.320 2.244 50 0 DEAAHM CCC(C)(C)[N-]S(=O)(=O)c1cc(OC)c(OC)cc1F ZINC000027939509 401848718 /nfs/dbraw/zinc/84/87/18/401848718.db2.gz KBKYSDODMMUPPO-UHFFFAOYSA-N -1 3 305.371 2.310 50 0 DEAAHM O=C([O-])CCCN1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000116369741 401850827 /nfs/dbraw/zinc/85/08/27/401850827.db2.gz AGUVRPOPWDPZSW-UHFFFAOYSA-N -1 3 324.808 2.353 50 0 DEAAHM O=C(Nc1ccc(F)cc1F)[C@@H]1CC[C@H](C(F)(F)F)[N-]C1=O ZINC000032652538 401881035 /nfs/dbraw/zinc/88/10/35/401881035.db2.gz YJMVNPZIVXZDMU-OIBJUYFYSA-N -1 3 322.233 2.360 50 0 DEAAHM O=C(Nc1ccc(F)cc1F)[C@H]1CC[C@H](C(F)(F)F)[N-]C1=O ZINC000032652541 401881108 /nfs/dbraw/zinc/88/11/08/401881108.db2.gz YJMVNPZIVXZDMU-GMSGAONNSA-N -1 3 322.233 2.360 50 0 DEAAHM O=c1nc(CN2CCOCC2)[n-]c2scc(-c3ccco3)c21 ZINC000032739708 401882003 /nfs/dbraw/zinc/88/20/03/401882003.db2.gz YOLQSFSRZUQCEA-UHFFFAOYSA-N -1 3 317.370 2.077 50 0 DEAAHM COc1cc([C@H]2NC(=O)c3cccnc3N2)cc(Cl)c1[O-] ZINC000089424100 401946448 /nfs/dbraw/zinc/94/64/48/401946448.db2.gz JPFFTIOSULQSAY-GFCCVEGCSA-N -1 3 305.721 2.303 50 0 DEAAHM O=C(c1ccccc1[O-])N1CCN(CCc2ccccc2)CC1 ZINC000053666665 402058799 /nfs/dbraw/zinc/05/87/99/402058799.db2.gz LSRVCISUDBOZKM-UHFFFAOYSA-N -1 3 310.397 2.393 50 0 DEAAHM CC(C)N(C)C(=O)CN1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095357943 402027947 /nfs/dbraw/zinc/02/79/47/402027947.db2.gz DLTFKHMHRCVUOL-MRXNPFEDSA-N -1 3 318.417 2.431 50 0 DEAAHM CN(CCOC(=O)c1cc(Cl)[n-]c(=O)c1)c1ccccc1 ZINC000096006871 402045590 /nfs/dbraw/zinc/04/55/90/402045590.db2.gz SNQCEPDKDKLYDN-UHFFFAOYSA-N -1 3 306.749 2.322 50 0 DEAAHM COC(=O)C(C)(C)[N-]S(=O)(=O)/C=C\c1ccccc1Cl ZINC000096257490 402075490 /nfs/dbraw/zinc/07/54/90/402075490.db2.gz AEKHNANKNGWXLJ-HJWRWDBZSA-N -1 3 317.794 2.182 50 0 DEAAHM Cc1cc([N-]C(=O)[C@@H](C)Nc2ccn(CC(F)(F)F)n2)on1 ZINC000097148559 402111903 /nfs/dbraw/zinc/11/19/03/402111903.db2.gz ZWXJCDVQWPXUCM-MRVPVSSYSA-N -1 3 317.271 2.181 50 0 DEAAHM CCCc1cc(=O)n2nc(NCc3ccc(F)cc3)[n-]c2n1 ZINC000101282278 402144277 /nfs/dbraw/zinc/14/42/77/402144277.db2.gz UJIVMXHLJPBFME-UHFFFAOYSA-N -1 3 301.325 2.121 50 0 DEAAHM CN1CCN(C(=O)c2c([O-])cccc2O)C[C@H]1c1ccccc1 ZINC000067847553 402175067 /nfs/dbraw/zinc/17/50/67/402175067.db2.gz GXTMOLKXMSXMRR-AWEZNQCLSA-N -1 3 312.369 2.227 50 0 DEAAHM O=C(C[C@H]1C=CCC1)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000069517211 402228028 /nfs/dbraw/zinc/22/80/28/402228028.db2.gz VSSYHSOJJNFKOF-AWEZNQCLSA-N -1 3 314.385 2.033 50 0 DEAAHM Cc1nn(C)c(C)c1[C@@H]1CC(=O)Nc2c1c(=O)[n-]n2C(C)C ZINC000071283216 402272276 /nfs/dbraw/zinc/27/22/76/402272276.db2.gz PCFIVNWKLOUZOP-JTQLQIEISA-N -1 3 303.366 2.231 50 0 DEAAHM CCOc1ccc([C@@]([O-])(C(=O)OC)C(F)(F)F)c(OCC)c1 ZINC000071405318 402273942 /nfs/dbraw/zinc/27/39/42/402273942.db2.gz ZPMNNPLXJHBSDH-CYBMUJFWSA-N -1 3 322.279 2.407 50 0 DEAAHM COC[C@H]1CCN(Cc2cc(Cl)ccc2OCC(=O)[O-])C1 ZINC000215600433 402284106 /nfs/dbraw/zinc/28/41/06/402284106.db2.gz SEYWYJGIBCSRMK-NSHDSACASA-N -1 3 313.781 2.272 50 0 DEAAHM Cc1ccc(Cn2[n-]ccc2=NC(=O)Cc2c(C)noc2C)o1 ZINC000254315785 402670772 /nfs/dbraw/zinc/67/07/72/402670772.db2.gz DGQOSNVXAMKKRK-UHFFFAOYSA-N -1 3 314.345 2.041 50 0 DEAAHM Cc1cc(=O)[n-]c([C@H](C)N2CCCN(CC(F)(F)F)CC2)n1 ZINC000192540837 402735813 /nfs/dbraw/zinc/73/58/13/402735813.db2.gz QZPHEIVSUHJKDC-NSHDSACASA-N -1 3 318.343 2.122 50 0 DEAAHM Cc1cccc([C@@H](NC(=O)C(C)(C)N2CCCC2)C(=O)[O-])c1 ZINC000426581279 405369714 /nfs/dbraw/zinc/36/97/14/405369714.db2.gz PLAWTZTZMJFPOI-CQSZACIVSA-N -1 3 304.390 2.111 50 0 DEAAHM O=C(NCCc1cc(F)c(F)c(F)c1)c1cccc2nn[n-]c21 ZINC000119140992 424852467 /nfs/dbraw/zinc/85/24/67/424852467.db2.gz NXXMTOUUMHEUCE-UHFFFAOYSA-N -1 3 320.274 2.348 50 0 DEAAHM O=C(NCCc1cc(F)c(F)c(F)c1)c1cccc2[n-]nnc21 ZINC000119140992 424852469 /nfs/dbraw/zinc/85/24/69/424852469.db2.gz NXXMTOUUMHEUCE-UHFFFAOYSA-N -1 3 320.274 2.348 50 0 DEAAHM O=C(NCCc1cc(F)c(F)c(F)c1)c1cccc2n[n-]nc21 ZINC000119140992 424852472 /nfs/dbraw/zinc/85/24/72/424852472.db2.gz NXXMTOUUMHEUCE-UHFFFAOYSA-N -1 3 320.274 2.348 50 0 DEAAHM Cc1n[n-]nc1C(=O)Nc1cc(-c2cc(C)c(C)cc2C)[nH]n1 ZINC000330032207 424907385 /nfs/dbraw/zinc/90/73/85/424907385.db2.gz JLTWQLPPLMXEMM-UHFFFAOYSA-N -1 3 310.361 2.681 50 0 DEAAHM O=C1[N-]C(=O)/C(=C/c2cc3ccccc3[nH]c2=O)c2ccccc21 ZINC000040068675 280387591 /nfs/dbraw/zinc/38/75/91/280387591.db2.gz PJBMXLNHBAMTJV-XNTDXEJSSA-N -1 3 316.316 2.339 50 0 DEAAHM CC1(C)Cc2ccc(C(=O)N3CCC[C@](C)(O)C3)c([O-])c2O1 ZINC000153824712 281371902 /nfs/dbraw/zinc/37/19/02/281371902.db2.gz 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N=C1Nc2nc3ccccc3n2[C@H](c2ccc([O-])c(Cl)c2)N1 ZINC000058243973 184093800 /nfs/dbraw/zinc/09/38/00/184093800.db2.gz WVVOXPHMJINVKK-CYBMUJFWSA-N -1 3 313.748 2.492 50 0 DEAAHM Cc1cc([N-]C(=O)N(C)C[C@@H](O)COCc2ccccc2)on1 ZINC000069533291 184523787 /nfs/dbraw/zinc/52/37/87/184523787.db2.gz GQXVSQQYPCKJAB-CQSZACIVSA-N -1 3 319.361 2.024 50 0 DEAAHM O=C(CSc1nnc(-c2ccco2)[n-]1)Nc1nccs1 ZINC000007000088 401735349 /nfs/dbraw/zinc/73/53/49/401735349.db2.gz LEZMSFFEDVCWFX-UHFFFAOYSA-N -1 3 307.360 2.252 50 0 DEAAHM O=C(CSc1nc(-c2ccco2)n[n-]1)Nc1nccs1 ZINC000007000088 401735351 /nfs/dbraw/zinc/73/53/51/401735351.db2.gz LEZMSFFEDVCWFX-UHFFFAOYSA-N -1 3 307.360 2.252 50 0 DEAAHM O=C(CSc1n[n-]c(-c2ccco2)n1)Nc1nccs1 ZINC000007000088 401735354 /nfs/dbraw/zinc/73/53/54/401735354.db2.gz LEZMSFFEDVCWFX-UHFFFAOYSA-N -1 3 307.360 2.252 50 0 DEAAHM Cc1cc(C(=O)OCC(=O)[N-]C(=O)c2cccs2)c(C)o1 ZINC000007158797 401737320 /nfs/dbraw/zinc/73/73/20/401737320.db2.gz QVCLRJYIYDQNDH-UHFFFAOYSA-N -1 3 307.327 2.071 50 0 DEAAHM COC(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2)cc1 ZINC000000183594 401689474 /nfs/dbraw/zinc/68/94/74/401689474.db2.gz ZWWXQQXVNYSKCU-UHFFFAOYSA-N -1 3 305.355 2.415 50 0 DEAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)cc1 ZINC000000288021 401693477 /nfs/dbraw/zinc/69/34/77/401693477.db2.gz VPIUPHXZTCGBBP-UHFFFAOYSA-N -1 3 320.370 2.454 50 0 DEAAHM COC(=O)[C@]([O-])(CC(=O)Nc1ccc(C)c(C)c1)C(F)(F)F ZINC000002063962 401711651 /nfs/dbraw/zinc/71/16/51/401711651.db2.gz PRTRXZXIBDRESI-CYBMUJFWSA-N -1 3 319.279 2.098 50 0 DEAAHM O=C([C@@H]1CC(c2ccccc2[O-])=NO1)N1CCc2ccccc2C1 ZINC000013123890 401797263 /nfs/dbraw/zinc/79/72/63/401797263.db2.gz UQLVBFSNDPLPSP-SFHVURJKSA-N -1 3 322.364 2.470 50 0 DEAAHM CSc1ccc([C@@H]2CC(=O)Nc3nc(C)[n-]c(=O)c32)cc1 ZINC000008995529 401758802 /nfs/dbraw/zinc/75/88/02/401758802.db2.gz MGMHKZDHVGYCGZ-NSHDSACASA-N -1 3 301.371 2.274 50 0 DEAAHM O=C(NCCc1cccc2cccnc21)c1ccc2n[n-]nc2c1 ZINC000012506919 401786996 /nfs/dbraw/zinc/78/69/96/401786996.db2.gz AALCYKVUMBLNGS-UHFFFAOYSA-N -1 3 317.352 2.479 50 0 DEAAHM CC[C@@H](C)NC(=O)COc1cc([O-])c2c(c1)OC(C)(C)CC2=O ZINC000012892971 401793489 /nfs/dbraw/zinc/79/34/89/401793489.db2.gz JIVOQGRASFUYOC-SNVBAGLBSA-N -1 3 321.373 2.430 50 0 biogenic DEAAHM O=C([N-]c1nc[nH]n1)c1ccc(COc2ccc(F)cc2)o1 ZINC000026262334 401839697 /nfs/dbraw/zinc/83/96/97/401839697.db2.gz ROZXUHCSZKYQQI-UHFFFAOYSA-N -1 3 302.265 2.368 50 0 DEAAHM COc1cc(F)c(S(=O)(=O)[N-]C2CCCC2)cc1OC ZINC000027937222 401848787 /nfs/dbraw/zinc/84/87/87/401848787.db2.gz FAUPAKNOTNHVMH-UHFFFAOYSA-N -1 3 303.355 2.064 50 0 DEAAHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000078554412 401855778 /nfs/dbraw/zinc/85/57/78/401855778.db2.gz ONVJEWGUUHXPBG-UHFFFAOYSA-N -1 3 322.386 2.298 50 0 DEAAHM Cc1nc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2)cs1 ZINC000042114380 401932089 /nfs/dbraw/zinc/93/20/89/401932089.db2.gz BSTJFDLMGOXYSU-UHFFFAOYSA-N -1 3 304.343 2.208 50 0 DEAAHM CC1CCC(NC(=O)CSc2n[n-]c([C@@H]3CCCO3)n2)CC1 ZINC000032883937 401885645 /nfs/dbraw/zinc/88/56/45/401885645.db2.gz YRPWOPPEGWASRS-MCIGGMRASA-N -1 3 324.450 2.443 50 0 DEAAHM CCn1c2ccccc2n(CC(=O)Nc2ccccc2[O-])c1=O ZINC000045620885 401959551 /nfs/dbraw/zinc/95/95/51/401959551.db2.gz VERAWBIIRXLQKL-UHFFFAOYSA-N -1 3 311.341 2.167 50 0 DEAAHM CCO[N-]C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000048231863 401996121 /nfs/dbraw/zinc/99/61/21/401996121.db2.gz RRLAIBWYPYSGCY-GFCCVEGCSA-N -1 3 310.781 2.260 50 0 DEAAHM CCc1ccc(NC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1 ZINC000089284919 401940919 /nfs/dbraw/zinc/94/09/19/401940919.db2.gz KCHWVUUBKZKDBR-ZDUSSCGKSA-N -1 3 312.435 2.151 50 0 DEAAHM COCCS(=O)(=O)[N-]c1ccc2[nH]c(C3CCC3)nc2c1 ZINC000089420226 401945942 /nfs/dbraw/zinc/94/59/42/401945942.db2.gz IETDORXNEWYEGZ-UHFFFAOYSA-N -1 3 309.391 2.219 50 0 DEAAHM Cc1nc(CN2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)n[nH]1 ZINC000095365471 402028539 /nfs/dbraw/zinc/02/85/39/402028539.db2.gz LDCAGOASWHYCLP-CQSZACIVSA-N -1 3 300.362 2.191 50 0 DEAAHM Cc1ocnc1C(=O)[N-]c1n[nH]c(Cc2ccc(F)cc2)n1 ZINC000096004811 402045712 /nfs/dbraw/zinc/04/57/12/402045712.db2.gz QMMYHBJUWXOZGX-UHFFFAOYSA-N -1 3 301.281 2.083 50 0 DEAAHM Cc1ccc([O-])c(C(=O)N2CCN(Cc3cccnc3)CC2)c1 ZINC000054722944 402071059 /nfs/dbraw/zinc/07/10/59/402071059.db2.gz GKWZJMGXDSNTBT-UHFFFAOYSA-N -1 3 311.385 2.054 50 0 DEAAHM COCCN(Cc1cnn(C)c1)Cc1ccc([O-])c(Cl)c1 ZINC000055153920 402076449 /nfs/dbraw/zinc/07/64/49/402076449.db2.gz NHKRAQZUCUSVOU-UHFFFAOYSA-N -1 3 309.797 2.428 50 0 DEAAHM CC[C@H](C(=O)Nc1cc(Br)ccc1[O-])N(C)C ZINC000152130839 402077232 /nfs/dbraw/zinc/07/72/32/402077232.db2.gz FEXXRHUGAKACKP-SNVBAGLBSA-N -1 3 301.184 2.433 50 0 DEAAHM O=S(=O)([N-]Cc1cccc(-n2ccnc2)c1)c1cccs1 ZINC000096406709 402078712 /nfs/dbraw/zinc/07/87/12/402078712.db2.gz FFJQEUKLDXAKNL-UHFFFAOYSA-N -1 3 319.411 2.412 50 0 DEAAHM CCOC(=O)c1cc(NC(=O)c2cc(C)c(F)cc2F)n[n-]1 ZINC000097080818 402104554 /nfs/dbraw/zinc/10/45/54/402104554.db2.gz GAHBCTNGOUNJJV-UHFFFAOYSA-N -1 3 309.272 2.425 50 0 DEAAHM CCOC(=O)c1cc(NC(=O)c2cc(C)c(F)cc2F)[n-]n1 ZINC000097080818 402104556 /nfs/dbraw/zinc/10/45/56/402104556.db2.gz GAHBCTNGOUNJJV-UHFFFAOYSA-N -1 3 309.272 2.425 50 0 DEAAHM CN(C)c1cccc([C@H]2CCCN2c2nc3nncc-3c(O)[n-]2)c1 ZINC000097097208 402106758 /nfs/dbraw/zinc/10/67/58/402106758.db2.gz ISGXNFHIMCVFEE-CQSZACIVSA-N -1 3 324.388 2.466 50 0 DEAAHM Cn1ccnc1COC(=O)c1cn[n-]c1-c1c(F)cccc1F ZINC000097147579 402112396 /nfs/dbraw/zinc/11/23/96/402112396.db2.gz IQXMIPBHNWARGH-UHFFFAOYSA-N -1 3 318.283 2.445 50 0 DEAAHM Cn1ccnc1COC(=O)c1c[n-]nc1-c1c(F)cccc1F ZINC000097147579 402112398 /nfs/dbraw/zinc/11/23/98/402112398.db2.gz IQXMIPBHNWARGH-UHFFFAOYSA-N -1 3 318.283 2.445 50 0 DEAAHM Cc1cnn(Cc2cc(C(=O)Nc3c(C)cccc3[O-])no2)c1 ZINC000097233705 402119022 /nfs/dbraw/zinc/11/90/22/402119022.db2.gz ZHQQCXZRERXAMS-UHFFFAOYSA-N -1 3 312.329 2.494 50 0 DEAAHM O=C1Nc2ccccc2/C1=C1/[N-]C(=S)N(c2ccccc2)C1=O ZINC000100098515 402139670 /nfs/dbraw/zinc/13/96/70/402139670.db2.gz JOEWHJORSLOOFS-YPKPFQOOSA-N -1 3 321.361 2.271 50 0 biogenic DEAAHM CCN1CCC(C[N-]S(=O)(=O)c2cc3ccccc3o2)CC1 ZINC000067757384 402171595 /nfs/dbraw/zinc/17/15/95/402171595.db2.gz KWMYXFLOKGKWLC-UHFFFAOYSA-N -1 3 322.430 2.443 50 0 DEAAHM CCCNC(=O)C1(NCc2nc(C)ccc2[O-])CCCCC1 ZINC000154524832 402216283 /nfs/dbraw/zinc/21/62/83/402216283.db2.gz UZMWDZFCKOACEM-UHFFFAOYSA-N -1 3 305.422 2.414 50 0 DEAAHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)C1CC1 ZINC000069775244 402243689 /nfs/dbraw/zinc/24/36/89/402243689.db2.gz YGDTZMIOHVFAAL-UHFFFAOYSA-N -1 3 322.308 2.425 50 0 DEAAHM Cc1ccc(CCS(=O)(=O)[N-]c2ccc(N(C)C)cn2)cc1 ZINC000225706604 402322205 /nfs/dbraw/zinc/32/22/05/402322205.db2.gz DUNKLBJEKOSQIM-UHFFFAOYSA-N -1 3 319.430 2.440 50 0 DEAAHM Cc1ccc(CNC(=O)c2cc(C(C)(C)C)nc(=O)[n-]2)s1 ZINC000215775387 402284855 /nfs/dbraw/zinc/28/48/55/402284855.db2.gz WLVSBMVKKCUUBD-UHFFFAOYSA-N -1 3 305.403 2.367 50 0 DEAAHM Cc1cc(C)c(NC(=O)N2Cc3nc(C)[n-]c(=O)c3C2)c(C)n1 ZINC000299796583 403577980 /nfs/dbraw/zinc/57/79/80/403577980.db2.gz NFGGYODZHHOAKF-UHFFFAOYSA-N -1 3 313.361 2.359 50 0 DEAAHM COc1cccc(OC)c1C([O-])=C1CC(=O)Nc2n[nH]c(C)c21 ZINC000046057883 424819363 /nfs/dbraw/zinc/81/93/63/424819363.db2.gz YTQMHWXSLWCJOQ-VIFPVBQESA-N -1 3 315.329 2.044 50 0 DEAAHM O=C1[C@@H]2C(c3ccc(F)cc3)=NOC2=C([O-])N1c1ccccc1 ZINC000101359380 424846476 /nfs/dbraw/zinc/84/64/76/424846476.db2.gz TXTYMVHAWKAUOX-UKRRQHHQSA-N -1 3 310.284 2.118 50 0 DEAAHM Cc1oncc1C[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000575606473 424946826 /nfs/dbraw/zinc/94/68/26/424946826.db2.gz WHLCYDOKKNADTG-UHFFFAOYSA-N -1 3 300.767 2.423 50 0 DEAAHM C[C@@H]1CCc2c(sc3[n-]c(-c4cc(N)ncn4)nc(=O)c23)C1 ZINC000585137143 424993280 /nfs/dbraw/zinc/99/32/80/424993280.db2.gz KEDAIJDHQPFYAL-SSDOTTSWSA-N -1 3 313.386 2.561 50 0 DEAAHM CCCC[C@@H](NC(=O)c1cc(=O)c([O-])co1)c1cccnc1 ZINC000534658777 334314966 /nfs/dbraw/zinc/31/49/66/334314966.db2.gz GWBIDROUJCDAMZ-GFCCVEGCSA-N -1 3 302.330 2.402 50 0 DEAAHM Nc1cccc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000097094626 337382024 /nfs/dbraw/zinc/38/20/24/337382024.db2.gz VSJSKWRCPWLRJS-UHFFFAOYSA-N -1 3 316.304 2.165 50 0 DEAAHM CC(C)(C)c1ncc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cn1 ZINC000102121181 684057188 /nfs/dbraw/zinc/05/71/88/684057188.db2.gz VGFHFBXSQVYPPB-GXDHUFHOSA-N -1 3 322.368 2.497 50 0 DEAAHM CCc1cccc(C(=O)N[C@H]2CCO[C@]3(CCOC3)C2)c1[O-] ZINC000095458108 185370225 /nfs/dbraw/zinc/37/02/25/185370225.db2.gz DFZRYWFSWCZABO-SUMWQHHRSA-N -1 3 305.374 2.023 50 0 DEAAHM CCc1cccc(C(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)c1[O-] ZINC000095458110 185370386 /nfs/dbraw/zinc/37/03/86/185370386.db2.gz DFZRYWFSWCZABO-GUYCJALGSA-N -1 3 305.374 2.023 50 0 DEAAHM CC(C)c1nccn1CCCNC(=O)c1c([O-])cccc1O ZINC000071747298 191020386 /nfs/dbraw/zinc/02/03/86/191020386.db2.gz XKDOWLGMAOXBDY-UHFFFAOYSA-N -1 3 303.362 2.238 50 0 DEAAHM Cc1cccc(C)c1OCC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000004907274 181171537 /nfs/dbraw/zinc/17/15/37/181171537.db2.gz XOQYNKQCTUUFLF-UHFFFAOYSA-N -1 3 324.336 2.205 50 0 DEAAHM Cc1cccc(N2CCN(C(=O)c3cccc([O-])c3)[C@@H](C)C2)n1 ZINC000195556729 356257096 /nfs/dbraw/zinc/25/70/96/356257096.db2.gz CPAGBCNXKQYXRW-AWEZNQCLSA-N -1 3 311.385 2.447 50 0 DEAAHM O=C(Cc1cccc(Cl)c1)N1CCc2nc[n-]c(=O)c2CC1 ZINC000409421346 356736462 /nfs/dbraw/zinc/73/64/62/356736462.db2.gz UUTCUTTXSPLDSZ-UHFFFAOYSA-N -1 3 317.776 2.006 50 0 DEAAHM CCOC(=O)c1nc[n-]c1NC(=O)Cc1cccc(F)c1F ZINC000390833352 356711221 /nfs/dbraw/zinc/71/12/21/356711221.db2.gz GNRQKTCWBWQJMF-UHFFFAOYSA-N -1 3 309.272 2.046 50 0 DEAAHM CCOC(=O)c1[n-]cnc1NC(=O)Cc1cccc(F)c1F ZINC000390833352 356711225 /nfs/dbraw/zinc/71/12/25/356711225.db2.gz GNRQKTCWBWQJMF-UHFFFAOYSA-N -1 3 309.272 2.046 50 0 DEAAHM CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(Cc1ccsc1)CC2 ZINC000091831099 193113884 /nfs/dbraw/zinc/11/38/84/193113884.db2.gz XBICFVNXVIXDLB-CQSZACIVSA-N -1 3 322.430 2.036 50 0 DEAAHM COc1cccc2c([C@@H](C(=O)[O-])N3CCSCC3)c[nH]c21 ZINC000020738945 182245320 /nfs/dbraw/zinc/24/53/20/182245320.db2.gz 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