smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)c1cccc(O)c1[O-] ZINC000790539910 1078046170 /nfs/dbraw/zinc/04/61/70/1078046170.db2.gz APEAXYFJTKACKY-UHFFFAOYSA-N -1 3 422.460 2.889 20 10 HFCDHM C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNCc3cc([N+](=O)[O-])ccc3[O-])c2)C1=O ZINC000790611616 1078075871 /nfs/dbraw/zinc/07/58/71/1078075871.db2.gz SXZZMHPBCNUBHW-NRFANRHFSA-N -1 3 410.430 2.815 20 10 HFCDHM O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)[N-]OC[C@@H]1CCOC1 ZINC000788576469 1077211237 /nfs/dbraw/zinc/21/12/37/1077211237.db2.gz VITBBHTWJKOCQW-OJLMPMFISA-N -1 3 412.558 2.814 20 10 HFCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cnc(C2OCCO2)s1 ZINC000807108262 1080287044 /nfs/dbraw/zinc/28/70/44/1080287044.db2.gz SNBSUHAHMWHHRP-CQSZACIVSA-N -1 3 423.922 2.942 20 10 HFCDHM CN(Cc1ccccc1Br)C(=O)CCNC(=O)c1cccc(O)c1[O-] ZINC000790693201 1078098199 /nfs/dbraw/zinc/09/81/99/1078098199.db2.gz SYXIGFPMUSKXKI-UHFFFAOYSA-N -1 3 407.264 2.639 20 10 HFCDHM Cc1nn(C)c(-n2ccnc2C)c1C(=O)NCc1cccc(Br)c1[O-] ZINC000793967036 1078349122 /nfs/dbraw/zinc/34/91/22/1078349122.db2.gz AIBLNYZZYDRXFI-UHFFFAOYSA-N -1 3 404.268 2.621 20 10 HFCDHM CC(=O)N1CCN(c2ccc(CNC(=O)CCCc3ccc([O-])c(F)c3)cc2)CC1 ZINC000787321533 1076763785 /nfs/dbraw/zinc/76/37/85/1076763785.db2.gz GRCWLPAAGPDHBQ-UHFFFAOYSA-N -1 3 413.493 2.839 20 10 HFCDHM O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)[N-]OC[C@@H]1CCOC1 ZINC000788576474 1077211230 /nfs/dbraw/zinc/21/12/30/1077211230.db2.gz VITBBHTWJKOCQW-ZMTLZGASSA-N -1 3 412.558 2.814 20 10 HFCDHM COCCC[C@H](Cc1ccccc1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000792549322 1077899264 /nfs/dbraw/zinc/89/92/64/1077899264.db2.gz AHGYCZCMZYGTRU-MRXNPFEDSA-N -1 3 406.504 2.531 20 10 HFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](c2cc(F)ccc2F)C(F)F)c1 ZINC000790146993 1077956819 /nfs/dbraw/zinc/95/68/19/1077956819.db2.gz KDSPCJOZZOQARC-AWEZNQCLSA-N -1 3 406.357 2.778 20 10 HFCDHM COc1ccccc1[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccco1 ZINC000792836086 1078008759 /nfs/dbraw/zinc/00/87/59/1078008759.db2.gz HJUUWMXCLXBNRV-LJQANCHMSA-N -1 3 416.455 2.885 20 10 HFCDHM COc1ccccc1[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccco1 ZINC000792836085 1078008790 /nfs/dbraw/zinc/00/87/90/1078008790.db2.gz HJUUWMXCLXBNRV-IBGZPJMESA-N -1 3 416.455 2.885 20 10 HFCDHM NC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1cccc(O)c1[O-] ZINC000790572499 1078058610 /nfs/dbraw/zinc/05/86/10/1078058610.db2.gz KDAJWGSVINDHQR-UHFFFAOYSA-N -1 3 406.438 2.805 20 10 HFCDHM O=C(Nc1cc(-c2ccc(Br)cc2)nn1CCO)c1cccc(O)c1[O-] ZINC000790631880 1078068539 /nfs/dbraw/zinc/06/85/39/1078068539.db2.gz FZEIZDXUQSOQRE-UHFFFAOYSA-N -1 3 418.247 2.968 20 10 HFCDHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)NCc3ccc(N(C)C)cc3)c2)[n-]1 ZINC000788543091 1077194669 /nfs/dbraw/zinc/19/46/69/1077194669.db2.gz VABJKDIBSQLJEG-UHFFFAOYSA-N -1 3 422.489 2.714 20 10 HFCDHM CCOC(=O)c1nc(-c2cccc(CNC(=O)NCc3ccc(N(C)C)cc3)c2)n[n-]1 ZINC000788543091 1077194671 /nfs/dbraw/zinc/19/46/71/1077194671.db2.gz VABJKDIBSQLJEG-UHFFFAOYSA-N -1 3 422.489 2.714 20 10 HFCDHM COC(=O)c1sc(S(=O)(=O)[N-]Cc2cccc(OC)c2O)c(C)c1Cl ZINC000788631927 1077237951 /nfs/dbraw/zinc/23/79/51/1077237951.db2.gz VDJIBLSJDALSRU-UHFFFAOYSA-N -1 3 405.881 2.689 20 10 HFCDHM CCc1ccc([C@H]2CN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])CCO2)cc1 ZINC000791122630 1077293067 /nfs/dbraw/zinc/29/30/67/1077293067.db2.gz FFWORSFABPEUGZ-LJQANCHMSA-N -1 3 404.488 2.540 20 10 HFCDHM Cc1ccc([C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c2ccccn2)cc1 ZINC000792593862 1077928106 /nfs/dbraw/zinc/92/81/06/1077928106.db2.gz MQTAINCFOIZAGV-HXUWFJFHSA-N -1 3 411.483 2.987 20 10 HFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](c2cc(F)ccc2F)C(F)F)c1 ZINC000790146995 1077956780 /nfs/dbraw/zinc/95/67/80/1077956780.db2.gz KDSPCJOZZOQARC-CQSZACIVSA-N -1 3 406.357 2.778 20 10 HFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000790150874 1077957215 /nfs/dbraw/zinc/95/72/15/1077957215.db2.gz HIHUNQLWDZXACR-UHFFFAOYSA-N -1 3 420.462 2.638 20 10 HFCDHM CC(C)[C@@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-])N1CCN(C)CC1 ZINC000806361667 1079649039 /nfs/dbraw/zinc/64/90/39/1079649039.db2.gz PDLMZHLUSRABLL-MRXNPFEDSA-N -1 3 403.354 2.770 20 10 HFCDHM Cc1cc(NC(=O)C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)sn1 ZINC000807008960 1080207243 /nfs/dbraw/zinc/20/72/43/1080207243.db2.gz IYSRRFWJBRNOBQ-AWEZNQCLSA-N -1 3 408.911 2.530 20 10 HFCDHM O=C(NCc1cc(Br)ccc1O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000804736510 1078594796 /nfs/dbraw/zinc/59/47/96/1078594796.db2.gz WMHYTGONRXDJNP-HNNXBMFYSA-N -1 3 419.275 2.781 20 10 HFCDHM CC(C)(C)OC(=O)NCCNC(=O)c1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC000787643253 1076894214 /nfs/dbraw/zinc/89/42/14/1076894214.db2.gz RQUNVAWUYXPQPN-UHFFFAOYSA-N -1 3 415.446 2.605 20 10 HFCDHM COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000787815633 1076952395 /nfs/dbraw/zinc/95/23/95/1076952395.db2.gz QKPSIQOVBBUFCL-MRXNPFEDSA-N -1 3 412.895 2.877 20 10 HFCDHM CCOC(=O)c1cnn2c1[nH]c(COC(=O)CCCc1ccc([O-])c(F)c1)cc2=O ZINC000787846405 1076962660 /nfs/dbraw/zinc/96/26/60/1076962660.db2.gz WJYOCGCLYJULMM-UHFFFAOYSA-N -1 3 417.393 2.522 20 10 HFCDHM O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)[N-]OC[C@H]1CCOC1 ZINC000788576462 1077211220 /nfs/dbraw/zinc/21/12/20/1077211220.db2.gz VITBBHTWJKOCQW-CJAAZZPWSA-N -1 3 412.558 2.814 20 10 HFCDHM CCc1csc(NC(=O)C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000789765760 1077768435 /nfs/dbraw/zinc/76/84/35/1077768435.db2.gz RGUHJHLMFCHGSZ-HNNXBMFYSA-N -1 3 422.938 2.784 20 10 HFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000792803250 1078009222 /nfs/dbraw/zinc/00/92/22/1078009222.db2.gz IFDGDPCBVRYFBF-AWEZNQCLSA-N -1 3 410.517 2.647 20 10 HFCDHM COc1ccc(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)c(O)c1 ZINC000794387445 1078433395 /nfs/dbraw/zinc/43/33/95/1078433395.db2.gz IEGMVOOCJHLUIK-UHFFFAOYSA-N -1 3 419.434 2.599 20 10 HFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000792803252 1078009276 /nfs/dbraw/zinc/00/92/76/1078009276.db2.gz IFDGDPCBVRYFBF-CQSZACIVSA-N -1 3 410.517 2.647 20 10 HFCDHM Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)sn1 ZINC000807008961 1080207364 /nfs/dbraw/zinc/20/73/64/1080207364.db2.gz IYSRRFWJBRNOBQ-CQSZACIVSA-N -1 3 408.911 2.530 20 10 HFCDHM Nc1nc(C2CC2)ncc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000807108600 1080286430 /nfs/dbraw/zinc/28/64/30/1080286430.db2.gz ZRHHKYJDXQMBNO-HNNXBMFYSA-N -1 3 401.898 2.690 20 10 HFCDHM CC[C@H]1NC(=O)N(c2cccc(NCc3ccc([N+](=O)[O-])c(OC)c3[O-])c2)C1=O ZINC000793359700 1078147208 /nfs/dbraw/zinc/14/72/08/1078147208.db2.gz WBWHQPHEDXLPLI-CQSZACIVSA-N -1 3 400.391 2.756 20 10 HFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2c3ccccc3CC23CCOCC3)c1 ZINC000793877156 1078332615 /nfs/dbraw/zinc/33/26/15/1078332615.db2.gz BWNWLCMCUHCJNR-IBGZPJMESA-N -1 3 416.499 2.588 20 10 HFCDHM Cc1ccccc1[C@@H](O)C1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000804520177 1078559808 /nfs/dbraw/zinc/55/98/08/1078559808.db2.gz YGSVDXIUYHHVDN-FQEVSTJZSA-N -1 3 418.515 2.658 20 10 HFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(CCC(F)(F)F)CC(F)(F)F)c1 ZINC000791156741 1077311349 /nfs/dbraw/zinc/31/13/49/1077311349.db2.gz UTLBWSIXIOFVEI-UHFFFAOYSA-N -1 3 408.320 2.721 20 10 HFCDHM O=S(=O)(CCC(F)(F)F)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000790217703 1077972543 /nfs/dbraw/zinc/97/25/43/1077972543.db2.gz RLNSEAMGHORFGD-ZDUSSCGKSA-N -1 3 400.850 2.882 20 10 HFCDHM CC(=O)c1cc(F)cc(CN2CCc3c(cccc3S(=O)(=O)N(C)C)C2)c1[O-] ZINC000792893892 1078018439 /nfs/dbraw/zinc/01/84/39/1078018439.db2.gz ABXKMXLWBMAUMC-UHFFFAOYSA-N -1 3 406.479 2.543 20 10 HFCDHM CC(=O)Nc1ncc(S(=O)(=O)[N-]Cc2ccc(N3CCC(C)CC3)cc2)s1 ZINC000804991232 1078795613 /nfs/dbraw/zinc/79/56/13/1078795613.db2.gz MPSMWIFPGHKGKJ-UHFFFAOYSA-N -1 3 408.549 2.816 20 10 HFCDHM CN1CCN(Cc2cc(Br)ccc2[O-])[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793604927 1078222566 /nfs/dbraw/zinc/22/25/66/1078222566.db2.gz SLZPBNRNOJPUIX-HNNXBMFYSA-N -1 3 414.344 2.795 20 10 HFCDHM CN1CCN(c2cc(CNC(=O)NCc3cc(Cl)cc(Cl)c3[O-])ccn2)CC1 ZINC000804917199 1078738834 /nfs/dbraw/zinc/73/88/34/1078738834.db2.gz HECSIPDZYNXGAF-UHFFFAOYSA-N -1 3 424.332 2.845 20 10 HFCDHM O=S(=O)([N-]Cc1ccc(N2CCOCC2)c(F)c1)c1cccnc1C(F)(F)F ZINC000804957897 1078797814 /nfs/dbraw/zinc/79/78/14/1078797814.db2.gz DJUOTCCPEAMZQY-UHFFFAOYSA-N -1 3 419.400 2.555 20 10 HFCDHM CN1CCN(c2ccc(NC(=O)c3cccc(O)c3[O-])cc2Br)CC1 ZINC000787676064 1076890440 /nfs/dbraw/zinc/89/04/40/1076890440.db2.gz SVTAHDGRZQCSBO-UHFFFAOYSA-N -1 3 406.280 2.864 20 10 HFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000790314778 1077995005 /nfs/dbraw/zinc/99/50/05/1077995005.db2.gz NTAWUJQZPTWIJR-QGZVFWFLSA-N -1 3 418.877 2.835 20 10 HFCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)cc1 ZINC000790336757 1078006465 /nfs/dbraw/zinc/00/64/65/1078006465.db2.gz ASIYAYHHQQVHTC-UHFFFAOYSA-N -1 3 424.422 2.990 20 10 HFCDHM NC(=O)c1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)nc1Cl ZINC000807107578 1080285755 /nfs/dbraw/zinc/28/57/55/1080285755.db2.gz IAUULSKPAOVLCM-CYBMUJFWSA-N -1 3 423.300 2.587 20 10 HFCDHM COC(=O)CS(=O)(=O)Cc1ccc(CNCc2c([O-])ccc(Cl)c2F)cc1 ZINC000790976894 1077268994 /nfs/dbraw/zinc/26/89/94/1077268994.db2.gz OTYXPZNUSAUCNA-UHFFFAOYSA-N -1 3 415.870 2.562 20 10 HFCDHM COc1ccc(CN2CC[C@@H](N[C@@H](C)c3cc([N+](=O)[O-])ccc3[O-])C2=O)c(OC)c1 ZINC000806170626 1079460992 /nfs/dbraw/zinc/46/09/92/1079460992.db2.gz XLOPYRFXOTXNBJ-SCLBCKFNSA-N -1 3 415.446 2.769 20 10 HFCDHM O=S(=O)([N-]Cc1ccc(N2CCSCC2)cc1)c1cnc(Cl)c(F)c1 ZINC000804957446 1078797888 /nfs/dbraw/zinc/79/78/88/1078797888.db2.gz WAIXGQOWPYEKFH-UHFFFAOYSA-N -1 3 401.916 2.906 20 10 HFCDHM COc1ccc(CN2CC[C@@H](N[C@H](C)c3cc([N+](=O)[O-])ccc3[O-])C2=O)c(OC)c1 ZINC000806170625 1079460968 /nfs/dbraw/zinc/46/09/68/1079460968.db2.gz XLOPYRFXOTXNBJ-FZKQIMNGSA-N -1 3 415.446 2.769 20 10 HFCDHM COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000787815632 1076952450 /nfs/dbraw/zinc/95/24/50/1076952450.db2.gz QKPSIQOVBBUFCL-INIZCTEOSA-N -1 3 412.895 2.877 20 10 HFCDHM Nc1nc(C2CC2)ncc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000807108601 1080286951 /nfs/dbraw/zinc/28/69/51/1080286951.db2.gz ZRHHKYJDXQMBNO-OAHLLOKOSA-N -1 3 401.898 2.690 20 10 HFCDHM O=C(c1cccc(O)c1[O-])N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000790617238 1078077583 /nfs/dbraw/zinc/07/75/83/1078077583.db2.gz CVNRIHTZWIQLRL-UHFFFAOYSA-N -1 3 400.866 2.747 20 10 HFCDHM C[C@H](O)CN1CCN(Cc2cc(Br)cc(Br)c2[O-])[C@@H](C)C1 ZINC000793591908 1078217636 /nfs/dbraw/zinc/21/76/36/1078217636.db2.gz SZLYYVPLKFQHJY-QWRGUYRKSA-N -1 3 422.161 2.804 20 10 HFCDHM O=C(CN1CCN(C(=O)c2cccc(O)c2[O-])CC1)Nc1ccccc1C(F)(F)F ZINC000790473869 1078039481 /nfs/dbraw/zinc/03/94/81/1078039481.db2.gz BSSHVJYEWDBWJZ-UHFFFAOYSA-N -1 3 423.391 2.513 20 10 HFCDHM CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cccc(O)c1[O-] ZINC000790511784 1078048348 /nfs/dbraw/zinc/04/83/48/1078048348.db2.gz KOLQHRUNCDIBDA-UHFFFAOYSA-N -1 3 402.447 2.984 20 10 HFCDHM COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000804610458 1078656560 /nfs/dbraw/zinc/65/65/60/1078656560.db2.gz XVCIOXYJFDJFPB-CYBMUJFWSA-N -1 3 406.866 2.966 20 10 HFCDHM COCCC[C@@H](Cc1ccccc1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000792549321 1077898950 /nfs/dbraw/zinc/89/89/50/1077898950.db2.gz AHGYCZCMZYGTRU-INIZCTEOSA-N -1 3 406.504 2.531 20 10 HFCDHM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000747407114 1080799224 /nfs/dbraw/zinc/79/92/24/1080799224.db2.gz OTPWPLQUPNUCFF-UHFFFAOYSA-N -1 3 424.422 2.800 20 10 HFCDHM COCCCO[N-]C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000805045566 1078860517 /nfs/dbraw/zinc/86/05/17/1078860517.db2.gz SYTNWKVTTAXMKP-QBFSEMIESA-N -1 3 400.547 2.814 20 10 HFCDHM O=C(Nc1nc(CN2CCN(c3nccs3)CC2)cs1)c1cccc(O)c1[O-] ZINC000790898932 1077241170 /nfs/dbraw/zinc/24/11/70/1077241170.db2.gz DVSNAVXYGGVXNE-UHFFFAOYSA-N -1 3 417.516 2.585 20 10 HFCDHM COc1ccc(N2CCN(C(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)CC2)cc1F ZINC000807032647 1080225124 /nfs/dbraw/zinc/22/51/24/1080225124.db2.gz MGIPWQNRCMWBDL-UHFFFAOYSA-N -1 3 417.387 2.916 20 10 HFCDHM CCOc1ccc(NC(=O)c2cccc(O)c2[O-])cc1S(=O)(=O)N1CCCCC1 ZINC000790501670 1078046634 /nfs/dbraw/zinc/04/66/34/1078046634.db2.gz MWAZMXFBSOCENV-UHFFFAOYSA-N -1 3 420.487 2.923 20 10 HFCDHM Cn1cc(C(=O)CCC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000793689081 1078257453 /nfs/dbraw/zinc/25/74/53/1078257453.db2.gz JBEDKHYXCJMEPF-QGZVFWFLSA-N -1 3 404.898 2.523 20 10 HFCDHM Cc1ccccc1[C@H](O)C1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000804520179 1078559851 /nfs/dbraw/zinc/55/98/51/1078559851.db2.gz YGSVDXIUYHHVDN-HXUWFJFHSA-N -1 3 418.515 2.658 20 10 HFCDHM C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1nc(C(F)(F)F)cs1 ZINC000787801843 1076949784 /nfs/dbraw/zinc/94/97/84/1076949784.db2.gz JBUNVGSWCXGBKI-SSDOTTSWSA-N -1 3 409.411 2.730 20 10 HFCDHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)cc1Cl ZINC000788480863 1077174272 /nfs/dbraw/zinc/17/42/72/1077174272.db2.gz MNAWGJVPHFQHCL-UHFFFAOYSA-N -1 3 404.897 2.829 20 10 HFCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCCS(=O)(=O)CC)cc1 ZINC000790416363 1078021800 /nfs/dbraw/zinc/02/18/00/1078021800.db2.gz VGJWJDBKCBOROG-UHFFFAOYSA-N -1 3 413.517 2.569 20 10 HFCDHM CN1CCN(Cc2cc(Br)ccc2[O-])[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793604928 1078222619 /nfs/dbraw/zinc/22/26/19/1078222619.db2.gz SLZPBNRNOJPUIX-OAHLLOKOSA-N -1 3 414.344 2.795 20 10 HFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2c3ccccc3CC23CCOCC3)c1 ZINC000793877157 1078332637 /nfs/dbraw/zinc/33/26/37/1078332637.db2.gz BWNWLCMCUHCJNR-LJQANCHMSA-N -1 3 416.499 2.588 20 10 HFCDHM O=C(c1cccc(O)c1[O-])N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000790630841 1078068265 /nfs/dbraw/zinc/06/82/65/1078068265.db2.gz VMTYZCHDKBNKBM-UHFFFAOYSA-N -1 3 411.336 2.987 20 10 HFCDHM O=C(c1cccc(O)c1[O-])N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000790890183 1078172998 /nfs/dbraw/zinc/17/29/98/1078172998.db2.gz HAECQQMHLAKTRZ-UHFFFAOYSA-N -1 3 409.255 2.957 20 10 HFCDHM Cc1cccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1Br ZINC000787445433 1076814169 /nfs/dbraw/zinc/81/41/69/1076814169.db2.gz DXRVIYYGQBWMIQ-UHFFFAOYSA-N -1 3 413.293 2.765 20 10 HFCDHM O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cc([O-])c2ccccc2c1 ZINC000792066065 1077674574 /nfs/dbraw/zinc/67/45/74/1077674574.db2.gz IHIXEKANAHBVBT-UHFFFAOYSA-N -1 3 410.495 2.710 20 10 HFCDHM COC(=O)CN(CCS(=O)(=O)c1ccc(F)cc1)Cc1cc(Cl)ccc1[O-] ZINC000790315271 1077995238 /nfs/dbraw/zinc/99/52/38/1077995238.db2.gz WQNHZCBESSPMCP-UHFFFAOYSA-N -1 3 415.870 2.634 20 10 HFCDHM O=C(Nc1nc(CN2CCN(c3ccccn3)CC2)cs1)c1cccc(O)c1[O-] ZINC000790631348 1078068072 /nfs/dbraw/zinc/06/80/72/1078068072.db2.gz MRISDVZMVISFCX-UHFFFAOYSA-N -1 3 411.487 2.524 20 10 HFCDHM Cc1cc(N2CC[C@H](NC(=O)c3cccc(O)c3[O-])C2=O)ccc1Br ZINC000790935468 1077239526 /nfs/dbraw/zinc/23/95/26/1077239526.db2.gz WLFKCDVBZWXCAS-AWEZNQCLSA-N -1 3 405.248 2.704 20 10 HFCDHM Cc1nc(CS(=O)(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cs1 ZINC000790395121 1078014103 /nfs/dbraw/zinc/01/41/03/1078014103.db2.gz PISBNFTXPMOFDE-HNNXBMFYSA-N -1 3 415.968 2.895 20 10 HFCDHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000747361746 1080057322 /nfs/dbraw/zinc/05/73/22/1080057322.db2.gz XHRXMHIEUCLZGM-UHFFFAOYSA-N -1 3 402.470 2.694 20 10 HFCDHM O=C(NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O)c1cccc(O)c1[O-] ZINC000790663858 1078096664 /nfs/dbraw/zinc/09/66/64/1078096664.db2.gz XHPOJTIRMHUNQF-UHFFFAOYSA-N -1 3 423.469 2.783 20 10 HFCDHM O=S(=O)([N-]Cc1ccc(N2CCC(CO)CC2)cc1)c1cnc(Cl)c(F)c1 ZINC000805012966 1078856337 /nfs/dbraw/zinc/85/63/37/1078856337.db2.gz VFWGQAVERMROLY-UHFFFAOYSA-N -1 3 413.902 2.561 20 10 HFCDHM O=C1C[C@]2(CCN(Cc3cc(Br)cc(Br)c3[O-])C2)CN1 ZINC000789768373 1077769429 /nfs/dbraw/zinc/76/94/29/1077769429.db2.gz MMFHFHIAMXBSDT-CQSZACIVSA-N -1 3 404.102 2.629 20 10 HFCDHM C[C@H](c1nc(-c2cccs2)no1)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000790701178 1078099762 /nfs/dbraw/zinc/09/97/62/1078099762.db2.gz ILBFKAUKFRTNSH-GFCCVEGCSA-N -1 3 400.460 2.728 20 10 HFCDHM CCOC(=O)c1c(NC(=O)COC(=O)c2cnn[n-]2)sc(C)c1-c1ccccc1 ZINC000805606460 1079153407 /nfs/dbraw/zinc/15/34/07/1079153407.db2.gz IUFGOSSRFQGMSH-UHFFFAOYSA-N -1 3 414.443 2.814 20 10 HFCDHM CCOC(=O)c1c(NC(=O)COC(=O)c2c[n-]nn2)sc(C)c1-c1ccccc1 ZINC000805606460 1079153411 /nfs/dbraw/zinc/15/34/11/1079153411.db2.gz IUFGOSSRFQGMSH-UHFFFAOYSA-N -1 3 414.443 2.814 20 10 HFCDHM Cc1cc(Br)c([O-])c(CNc2ccc3c(c2)CN(CC(N)=O)CC3)c1 ZINC000788530003 1077203818 /nfs/dbraw/zinc/20/38/18/1077203818.db2.gz UUGLWPPDGPEQEO-UHFFFAOYSA-N -1 3 404.308 2.919 20 10 HFCDHM CCc1ccc([C@@H]2CN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])CCO2)cc1 ZINC000791122628 1077293001 /nfs/dbraw/zinc/29/30/01/1077293001.db2.gz FFWORSFABPEUGZ-IBGZPJMESA-N -1 3 404.488 2.540 20 10 HFCDHM C[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)c4cccc(O)c4[O-])CC3)cc2NC1=O ZINC000790630546 1078068535 /nfs/dbraw/zinc/06/85/35/1078068535.db2.gz SILRVVFQHTUGDK-LBPRGKRZSA-N -1 3 410.426 2.552 20 10 HFCDHM CC[C@@H]1NC(=O)N(c2cccc(NCc3ccc([N+](=O)[O-])c(OC)c3[O-])c2)C1=O ZINC000793359696 1078147412 /nfs/dbraw/zinc/14/74/12/1078147412.db2.gz WBWHQPHEDXLPLI-AWEZNQCLSA-N -1 3 400.391 2.756 20 10 HFCDHM Cc1cc(N(C)C)ccc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790850579 1078148070 /nfs/dbraw/zinc/14/80/70/1078148070.db2.gz KPLKDZLKQFWVCC-UHFFFAOYSA-N -1 3 422.463 2.973 20 10 HFCDHM COc1ccc(CN2CC[C@H](N[C@H](C)c3cc([N+](=O)[O-])ccc3[O-])C2=O)c(OC)c1 ZINC000806170624 1079460872 /nfs/dbraw/zinc/46/08/72/1079460872.db2.gz XLOPYRFXOTXNBJ-ACJLOTCBSA-N -1 3 415.446 2.769 20 10 HFCDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)cc1 ZINC000788061007 1077046086 /nfs/dbraw/zinc/04/60/86/1077046086.db2.gz MLSAGPDTUJIGPS-UHFFFAOYSA-N -1 3 402.469 2.787 20 10 HFCDHM COC(=O)c1sc(S(=O)(=O)[N-]Cc2cc(OC)ccc2O)c(C)c1Cl ZINC000788634280 1077238960 /nfs/dbraw/zinc/23/89/60/1077238960.db2.gz LHIHYNXGNKVIOE-UHFFFAOYSA-N -1 3 405.881 2.689 20 10 HFCDHM CC[N@H+](CC(=O)[N-]C(=O)c1ccc(OC)cc1)Cc1cc(Br)ccc1[O-] ZINC000772797508 1077870107 /nfs/dbraw/zinc/87/01/07/1077870107.db2.gz FHUVZDPCXGHVIZ-UHFFFAOYSA-N -1 3 421.291 2.942 20 10 HFCDHM CC[N@@H+](CC(=O)[N-]C(=O)c1ccc(OC)cc1)Cc1cc(Br)ccc1[O-] ZINC000772797508 1077870112 /nfs/dbraw/zinc/87/01/12/1077870112.db2.gz FHUVZDPCXGHVIZ-UHFFFAOYSA-N -1 3 421.291 2.942 20 10 HFCDHM CNS(=O)(=O)c1cccc2c1CCN(Cc1cc(Br)ccc1[O-])C2 ZINC000793610287 1078227539 /nfs/dbraw/zinc/22/75/39/1078227539.db2.gz SFNRGNOJHCBHJB-UHFFFAOYSA-N -1 3 411.321 2.621 20 10 HFCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)cc1C ZINC000788053106 1077042845 /nfs/dbraw/zinc/04/28/45/1077042845.db2.gz IADFUULOYVXAFJ-UHFFFAOYSA-N -1 3 402.469 2.705 20 10 HFCDHM O=S(=O)(CCC(F)(F)F)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000790217702 1077972488 /nfs/dbraw/zinc/97/24/88/1077972488.db2.gz RLNSEAMGHORFGD-CYBMUJFWSA-N -1 3 400.850 2.882 20 10 HFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])[C@H]1CCN(c2ccccc2OC)C1=O ZINC000790314777 1077995041 /nfs/dbraw/zinc/99/50/41/1077995041.db2.gz NTAWUJQZPTWIJR-KRWDZBQOSA-N -1 3 418.877 2.835 20 10 HFCDHM O=C(NCc1ccc(Br)cc1N1CCOCC1)c1cccc(O)c1[O-] ZINC000790897264 1078176356 /nfs/dbraw/zinc/17/63/56/1078176356.db2.gz LXAQJEFZGISOBB-UHFFFAOYSA-N -1 3 407.264 2.627 20 10 HFCDHM O=C(NCc1cc(Br)ccc1O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000804736511 1078594844 /nfs/dbraw/zinc/59/48/44/1078594844.db2.gz WMHYTGONRXDJNP-OAHLLOKOSA-N -1 3 419.275 2.781 20 10 HFCDHM COCCNC(=O)[C@H](C)OC(=O)c1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000804610459 1078656624 /nfs/dbraw/zinc/65/66/24/1078656624.db2.gz XVCIOXYJFDJFPB-ZDUSSCGKSA-N -1 3 406.866 2.966 20 10 HFCDHM COC(=O)CN(CCS(=O)(=O)Cc1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000791475804 1077446850 /nfs/dbraw/zinc/44/68/50/1077446850.db2.gz RHTISRPUESUPJK-UHFFFAOYSA-N -1 3 411.907 2.636 20 10 HFCDHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000807512472 1080718739 /nfs/dbraw/zinc/71/87/39/1080718739.db2.gz WJIZCUXHFHBUTL-UHFFFAOYSA-N -1 3 406.229 2.535 20 10 HFCDHM O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)[N-]OC[C@H]1CCOC1 ZINC000788576464 1077211239 /nfs/dbraw/zinc/21/12/39/1077211239.db2.gz VITBBHTWJKOCQW-IGVUGNCQSA-N -1 3 412.558 2.814 20 10 HFCDHM Cc1cc(N2CC[C@@H](NC(=O)c3cccc(O)c3[O-])C2=O)ccc1Br ZINC000790935469 1077239572 /nfs/dbraw/zinc/23/95/72/1077239572.db2.gz WLFKCDVBZWXCAS-CQSZACIVSA-N -1 3 405.248 2.704 20 10 HFCDHM O=C(Nc1cccc(Cl)n1)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000793052032 1078057027 /nfs/dbraw/zinc/05/70/27/1078057027.db2.gz VHCRZGCNBWJSNO-AWEZNQCLSA-N -1 3 423.300 2.813 20 10 HFCDHM Cc1ccc(C(=O)NCCC(=O)NCc2cc(Br)ccc2O)c([O-])c1 ZINC000804733293 1078591751 /nfs/dbraw/zinc/59/17/51/1078591751.db2.gz NTIXVKRTBUZWSN-UHFFFAOYSA-N -1 3 407.264 2.605 20 10 HFCDHM COc1c([O-])c(CNc2ccc(C)c(C(=O)N3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000787304917 1076752304 /nfs/dbraw/zinc/75/23/04/1076752304.db2.gz MIGHTPRKGMZZJE-UHFFFAOYSA-N -1 3 401.419 2.702 20 10 HFCDHM C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1nc(C(F)(F)F)cs1 ZINC000787801845 1076949744 /nfs/dbraw/zinc/94/97/44/1076949744.db2.gz JBUNVGSWCXGBKI-ZETCQYMHSA-N -1 3 409.411 2.730 20 10 HFCDHM Cc1nc(NC(=O)C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)sc1C ZINC000789766140 1077768219 /nfs/dbraw/zinc/76/82/19/1077768219.db2.gz VMJJGMCKWSACAF-OAHLLOKOSA-N -1 3 422.938 2.838 20 10 HFCDHM Cc1cc(Br)c([O-])c(CNc2cccc(C(=O)N(C)CC(N)=O)c2)c1 ZINC000790636924 1078071031 /nfs/dbraw/zinc/07/10/31/1078071031.db2.gz AYFUBZANNCLATF-UHFFFAOYSA-N -1 3 406.280 2.633 20 10 HFCDHM COc1ccc(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)c(O)c1 ZINC000794382627 1078432228 /nfs/dbraw/zinc/43/22/28/1078432228.db2.gz DUUXLUMXILAEAE-UHFFFAOYSA-N -1 3 403.232 2.935 20 10 HFCDHM COc1ccc(CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c(O)c1 ZINC000794388903 1078433607 /nfs/dbraw/zinc/43/36/07/1078433607.db2.gz BTDBNHNFSHNNPV-UHFFFAOYSA-N -1 3 410.467 2.547 20 10 HFCDHM COCCCO[N-]C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000805045563 1078860559 /nfs/dbraw/zinc/86/05/59/1078860559.db2.gz SYTNWKVTTAXMKP-ACCUITESSA-N -1 3 400.547 2.814 20 10 HFCDHM CCOC(=O)c1nnc(CNC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)[n-]1 ZINC000787905926 1076989509 /nfs/dbraw/zinc/98/95/09/1076989509.db2.gz JPCFOZDLRZBLKV-UHFFFAOYSA-N -1 3 401.854 2.972 20 10 HFCDHM Cc1nc(NC(=O)C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)sc1C ZINC000789766139 1077768184 /nfs/dbraw/zinc/76/81/84/1077768184.db2.gz VMJJGMCKWSACAF-HNNXBMFYSA-N -1 3 422.938 2.838 20 10 HFCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cnc(C2OCCO2)s1 ZINC000807108261 1080287138 /nfs/dbraw/zinc/28/71/38/1080287138.db2.gz SNBSUHAHMWHHRP-AWEZNQCLSA-N -1 3 423.922 2.942 20 10 HFCDHM C[C@H]1Oc2ccc(C(=O)C3CCN(C(=O)c4cccc(O)c4[O-])CC3)cc2NC1=O ZINC000790630541 1078068524 /nfs/dbraw/zinc/06/85/24/1078068524.db2.gz SILRVVFQHTUGDK-GFCCVEGCSA-N -1 3 410.426 2.552 20 10 HFCDHM CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)c3cccc(O)c3[O-])nc2)CC1 ZINC000790627720 1078081962 /nfs/dbraw/zinc/08/19/62/1078081962.db2.gz WPTCFGHCVFCWDH-UHFFFAOYSA-N -1 3 414.462 2.802 20 10 HFCDHM Cn1cc(C(=O)CCC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000793689079 1078257554 /nfs/dbraw/zinc/25/75/54/1078257554.db2.gz JBEDKHYXCJMEPF-KRWDZBQOSA-N -1 3 404.898 2.523 20 10 HFCDHM CN1CCN(c2ccc(CNC(=O)NCc3cc(Cl)cc(Cl)c3[O-])cn2)CC1 ZINC000804900592 1078755415 /nfs/dbraw/zinc/75/54/15/1078755415.db2.gz YKOIQWPGSYPERS-UHFFFAOYSA-N -1 3 424.332 2.845 20 10 HFCDHM CC1CCN(S(=O)(=O)Cc2ccccc2CNC(=O)c2cccc(O)c2[O-])CC1 ZINC000790903745 1077243518 /nfs/dbraw/zinc/24/35/18/1077243518.db2.gz ABSWJBJNDPMWRB-UHFFFAOYSA-N -1 3 418.515 2.590 20 10 HFCDHM CS(=O)(=O)N(CC(F)(F)F)C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792166526 1077732718 /nfs/dbraw/zinc/73/27/18/1077732718.db2.gz SKQNXQNDNPUKDV-UHFFFAOYSA-N -1 3 418.840 2.973 20 10 HFCDHM CNS(=O)(=O)c1ccc2c(c1)N(Cc1cc(C)cc(Br)c1[O-])CC2 ZINC000792176832 1077735158 /nfs/dbraw/zinc/73/51/58/1077735158.db2.gz OECUJVLYZNZTGG-UHFFFAOYSA-N -1 3 411.321 2.934 20 10 HFCDHM NC(=O)c1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)nc1Cl ZINC000807107579 1080285990 /nfs/dbraw/zinc/28/59/90/1080285990.db2.gz IAUULSKPAOVLCM-ZDUSSCGKSA-N -1 3 423.300 2.587 20 10 HFCDHM CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(O)c3[O-])CC2)cc1 ZINC000790466493 1078045123 /nfs/dbraw/zinc/04/51/23/1078045123.db2.gz QWIIJDPROAESSQ-UHFFFAOYSA-N -1 3 418.515 2.542 20 10 HFCDHM C[C@]1(C2CC2)NC(=O)N(c2cccc(CNCc3cc([N+](=O)[O-])ccc3[O-])c2)C1=O ZINC000790611617 1078075920 /nfs/dbraw/zinc/07/59/20/1078075920.db2.gz SXZZMHPBCNUBHW-OAQYLSRUSA-N -1 3 410.430 2.815 20 10 HFCDHM O=C(NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1cccc(O)c1O ZINC000790896520 1078175580 /nfs/dbraw/zinc/17/55/80/1078175580.db2.gz PXFRJEYCOVKQQW-UHFFFAOYSA-N -1 3 416.430 2.968 20 10 HFCDHM C[C@@H](O)CN1CCN(Cc2cc(Br)cc(Br)c2[O-])[C@@H](C)C1 ZINC000793591909 1078217727 /nfs/dbraw/zinc/21/77/27/1078217727.db2.gz SZLYYVPLKFQHJY-WDEREUQCSA-N -1 3 422.161 2.804 20 10 HFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC(F)(F)c2ccc(Cl)cc2)c1 ZINC000804680464 1078517082 /nfs/dbraw/zinc/51/70/82/1078517082.db2.gz NULKVCGBULSICC-UHFFFAOYSA-N -1 3 404.822 2.939 20 10 HFCDHM O=S(=O)(c1ccc(CNCc2c([O-])ccc(Cl)c2F)s1)N1CCOCC1 ZINC000790950686 1077252193 /nfs/dbraw/zinc/25/21/93/1077252193.db2.gz RRKUOGHUEZXESK-UHFFFAOYSA-N -1 3 420.915 2.557 20 10 HFCDHM O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NCc1ncccc1[O-] ZINC000792033230 1077685583 /nfs/dbraw/zinc/68/55/83/1077685583.db2.gz PRDYPBHTOHNJOF-UHFFFAOYSA-N -1 3 410.396 2.642 20 10 HFCDHM CNS(=O)(=O)c1ccc2c(c1)CCN2Cc1cc(C)cc(Br)c1[O-] ZINC000792177103 1077735932 /nfs/dbraw/zinc/73/59/32/1077735932.db2.gz RYYFOBYFSGASOW-UHFFFAOYSA-N -1 3 411.321 2.934 20 10 HFCDHM CCc1csc(NC(=O)C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000789765761 1077768560 /nfs/dbraw/zinc/76/85/60/1077768560.db2.gz RGUHJHLMFCHGSZ-OAHLLOKOSA-N -1 3 422.938 2.784 20 10 HFCDHM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)cc1 ZINC000790339802 1078006900 /nfs/dbraw/zinc/00/69/00/1078006900.db2.gz IBYZLSYANYIKGX-UHFFFAOYSA-N -1 3 410.395 2.599 20 10 HFCDHM CC(C)[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-])N1CCN(C)CC1 ZINC000806361661 1079648961 /nfs/dbraw/zinc/64/89/61/1079648961.db2.gz PDLMZHLUSRABLL-INIZCTEOSA-N -1 3 403.354 2.770 20 10 HFCDHM CS(=O)(=O)c1cccc(Oc2ncccc2CNC(=O)c2cccc(O)c2[O-])c1 ZINC000790769400 1078114565 /nfs/dbraw/zinc/11/45/65/1078114565.db2.gz RSLWDKADYIGPEP-UHFFFAOYSA-N -1 3 414.439 2.619 20 10 HFCDHM C[C@@H](O)CN1CCN(Cc2cc(Br)cc(Br)c2[O-])[C@H](C)C1 ZINC000793591905 1078217617 /nfs/dbraw/zinc/21/76/17/1078217617.db2.gz SZLYYVPLKFQHJY-GHMZBOCLSA-N -1 3 422.161 2.804 20 10 HFCDHM O=C1C[C@@]2(CCN(Cc3cc(Br)cc(Br)c3[O-])C2)CN1 ZINC000789768372 1077769346 /nfs/dbraw/zinc/76/93/46/1077769346.db2.gz MMFHFHIAMXBSDT-AWEZNQCLSA-N -1 3 404.102 2.629 20 10 HFCDHM O=C(NCc1ccccc1NS(=O)(=O)c1ccccc1)c1c([O-])c(O)ccc1F ZINC000789974521 1077902622 /nfs/dbraw/zinc/90/26/22/1077902622.db2.gz RAYSMGQBGAIXEY-UHFFFAOYSA-N -1 3 416.430 2.968 20 10 HFCDHM Cc1ccc([C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c2ccccn2)cc1 ZINC000792593861 1077928125 /nfs/dbraw/zinc/92/81/25/1077928125.db2.gz MQTAINCFOIZAGV-FQEVSTJZSA-N -1 3 411.483 2.987 20 10 HFCDHM C[C@@H](c1nc(-c2cccs2)no1)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000790701179 1078099849 /nfs/dbraw/zinc/09/98/49/1078099849.db2.gz ILBFKAUKFRTNSH-LBPRGKRZSA-N -1 3 400.460 2.728 20 10 HFCDHM C[C@H](O)CN1CCN(Cc2cc(Br)cc(Br)c2[O-])[C@H](C)C1 ZINC000793591907 1078217683 /nfs/dbraw/zinc/21/76/83/1078217683.db2.gz SZLYYVPLKFQHJY-MNOVXSKESA-N -1 3 422.161 2.804 20 10 HFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)c1 ZINC000791682543 1077526800 /nfs/dbraw/zinc/52/68/00/1077526800.db2.gz KTDBYODGWLHTQA-CQSZACIVSA-N -1 3 406.357 2.936 20 10 HFCDHM Cc1nc(CS(=O)(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cs1 ZINC000790395123 1078014249 /nfs/dbraw/zinc/01/42/49/1078014249.db2.gz PISBNFTXPMOFDE-OAHLLOKOSA-N -1 3 415.968 2.895 20 10 HFCDHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCc1cc(Br)ccc1O ZINC000804737196 1078595040 /nfs/dbraw/zinc/59/50/40/1078595040.db2.gz LIQJWIQLRHFRSZ-UHFFFAOYSA-N -1 3 417.263 2.949 20 10 HFCDHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000807512757 1080722107 /nfs/dbraw/zinc/72/21/07/1080722107.db2.gz HXNIYKIITDGBDD-UHFFFAOYSA-N -1 3 406.229 2.535 20 10 HFCDHM O=C(Nc1cccc(Cl)n1)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000793052035 1078057044 /nfs/dbraw/zinc/05/70/44/1078057044.db2.gz VHCRZGCNBWJSNO-CQSZACIVSA-N -1 3 423.300 2.813 20 10 HFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCc3c(cccc3C(F)(F)F)C2)c1 ZINC001170428124 1078101893 /nfs/dbraw/zinc/10/18/93/1078101893.db2.gz QTMSMTZIFBSWSM-UHFFFAOYSA-N -1 3 414.405 2.981 20 10 HFCDHM COc1ccc(CN2CC[C@H](N[C@@H](C)c3cc([N+](=O)[O-])ccc3[O-])C2=O)c(OC)c1 ZINC000806170627 1079460893 /nfs/dbraw/zinc/46/08/93/1079460893.db2.gz XLOPYRFXOTXNBJ-UGSOOPFHSA-N -1 3 415.446 2.769 20 10 HFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2nc(-c3ccccc3F)cs2)c1 ZINC000787846829 1076963313 /nfs/dbraw/zinc/96/33/13/1076963313.db2.gz KBCYMIIDJKTMFY-UHFFFAOYSA-N -1 3 421.475 2.956 20 10 HFCDHM COc1ccc(N2CCN(CCCNC(=O)c3ccc([O-])c(Cl)c3)CC2)cc1 ZINC000787898768 1077004163 /nfs/dbraw/zinc/00/41/63/1077004163.db2.gz LXOPGACTCRTPBN-UHFFFAOYSA-N -1 3 403.910 2.996 20 10 HFCDHM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1 ZINC000790382391 1078009920 /nfs/dbraw/zinc/00/99/20/1078009920.db2.gz CGQKQZGQOHHMAY-UHFFFAOYSA-N -1 3 408.423 2.964 20 10 HFCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(NS(=O)(=O)CC)c(F)c1 ZINC000790416110 1078021369 /nfs/dbraw/zinc/02/13/69/1078021369.db2.gz QFVLNSSDJKKIJH-UHFFFAOYSA-N -1 3 402.469 2.656 20 10 HFCDHM CCN1CCN(c2ccc(CNC(=O)c3c(C)nc(C(C)C)[n-]c3=O)cc2F)CC1 ZINC000747384071 1080441713 /nfs/dbraw/zinc/44/17/13/1080441713.db2.gz RCHJXABVMQDHHO-UHFFFAOYSA-N -1 3 415.513 2.825 20 10 HFCDHM