smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cccc(C[NH2+][C@H](CF)C(=O)[O-])c1O ZINC001610045615 1165195662 /nfs/dbraw/zinc/19/56/62/1165195662.db2.gz YEUDMKKXENHQBT-SECBINFHSA-N 0 0 257.261 1.303 20 10 CDCDRN Nc1ccc(S(=O)(=O)Nc2ccc(O)cc2F)cc1N ZINC001176413432 914110496 /nfs/dbraw/zinc/11/04/96/914110496.db2.gz KZETYOAUFVHXEG-UHFFFAOYSA-N 0 0 297.311 1.497 20 10 CDCDRN COC(=O)[C@@]1(F)CCN(Cc2ccc(O)c(C)c2O)C1 ZINC001140742633 898160086 /nfs/dbraw/zinc/16/00/86/898160086.db2.gz SUDHOVRSDHFPAO-CQSZACIVSA-N 0 0 283.299 1.493 20 10 CDCDRN C[C@@H]1CC[C@H](Oc2c(O)c(O)c(O)c(O)c2O)C1 ZINC001226465213 905223016 /nfs/dbraw/zinc/22/30/16/905223016.db2.gz PXDUJLCPZMQOLM-RITPCOANSA-N 0 0 256.254 1.782 20 10 CDCDRN O=[N+]([O-])c1cnc(NCCc2cc(O)c(O)cc2O)nc1 ZINC001168011331 905490439 /nfs/dbraw/zinc/49/04/39/905490439.db2.gz ZGNYMVJXBNRXMZ-UHFFFAOYSA-N 0 0 292.251 1.156 20 10 CDCDRN C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142508918 908833109 /nfs/dbraw/zinc/83/31/09/908833109.db2.gz PTGBJIVODQCIME-BDAKNGLRSA-N 0 0 257.280 1.873 20 10 CDCDRN CN(C)c1ncc(C(=O)NCc2ccccc2O)cn1 ZINC001189851654 921703589 /nfs/dbraw/zinc/70/35/89/921703589.db2.gz OCCQRVASZRIHCP-UHFFFAOYSA-N 0 0 272.308 1.178 20 10 CDCDRN C[C@@H](NC(=O)NCCCON)c1ccc(N(C)C)cc1 ZINC001120529425 912047878 /nfs/dbraw/zinc/04/78/78/912047878.db2.gz NOLHMYWWRVUVFW-LLVKDONJSA-N 0 0 280.372 1.393 20 10 CDCDRN Cc1cc(C)c(CNC(=O)[C@@H](O)C(C)C)c(O)c1 ZINC001179606847 915902076 /nfs/dbraw/zinc/90/20/76/915902076.db2.gz BONIRXXJRXGPMZ-ZDUSSCGKSA-N 0 0 251.326 1.642 20 10 CDCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC(=O)[C@@H](F)C1 ZINC001179683500 915943315 /nfs/dbraw/zinc/94/33/15/915943315.db2.gz UWCMIERYEVWOST-MALLOTDXSA-N 0 0 293.294 1.641 20 10 CDCDRN CCN(CCC(N)=O)C(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180126007 916168013 /nfs/dbraw/zinc/16/80/13/916168013.db2.gz ZBTFIYVLBDKSCH-JXMROGBWSA-N 0 0 289.379 1.490 20 10 CDCDRN COc1cc(O)c(CN2CCOC[C@@H](O)C2)c(Cl)c1 ZINC001236799627 916454874 /nfs/dbraw/zinc/45/48/74/916454874.db2.gz TUMYBNJBEZLWFR-VIFPVBQESA-N 0 0 287.743 1.247 20 10 CDCDRN COc1cc(C)c(C[N@@H+]2CC[C@](C)(O)C2)c(O)c1 ZINC001236809491 916533110 /nfs/dbraw/zinc/53/31/10/916533110.db2.gz WHMXXINNMQMWSI-AWEZNQCLSA-N 0 0 251.326 1.666 20 10 CDCDRN CCOC(=O)[C@H]1C(=O)CCCN1Cc1c(O)cccc1F ZINC001137837634 936418613 /nfs/dbraw/zinc/41/86/13/936418613.db2.gz OVKHBNDYACTZSH-CQSZACIVSA-N 0 0 295.310 1.628 20 10 CDCDRN [O-]c1c(Cl)cc(F)cc1C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001237808628 917630717 /nfs/dbraw/zinc/63/07/17/917630717.db2.gz VBYZNDRYBOMYFI-PRHODGIISA-N 0 0 289.734 1.360 20 10 CDCDRN COc1cc(C[N@@H+]2C[C@H](O)C[C@H]2C)cc(O)c1O ZINC001204341921 917879137 /nfs/dbraw/zinc/87/91/37/917879137.db2.gz IUNLXUHPBBOKJY-PSASIEDQSA-N 0 0 253.298 1.062 20 10 CDCDRN CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001138130525 936475632 /nfs/dbraw/zinc/47/56/32/936475632.db2.gz BXFUZHRFXJMIJI-GFCCVEGCSA-N 0 0 266.316 1.584 20 10 CDCDRN O=C(NCc1ccc(O)cc1O)NCC(F)(F)F ZINC001187103803 920340455 /nfs/dbraw/zinc/34/04/55/920340455.db2.gz SKMPNOZQKGZVPL-UHFFFAOYSA-N 0 0 264.203 1.459 20 10 CDCDRN Cc1ccc(C)c(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)c1O ZINC001140178683 936684338 /nfs/dbraw/zinc/68/43/38/936684338.db2.gz UNZWRGFDAWFEPR-QWHCGFSZSA-N 0 0 253.317 1.914 20 10 CDCDRN CO[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@H]1O ZINC000396000851 936699296 /nfs/dbraw/zinc/69/92/96/936699296.db2.gz NCIKIMTVBWPKPA-CHWSQXEVSA-N 0 0 299.754 1.440 20 10 CDCDRN O=C(NCc1ccccc1O)c1cccn(C(F)F)c1=O ZINC001188535171 921076524 /nfs/dbraw/zinc/07/65/24/921076524.db2.gz KQASQPKPZQISNQ-UHFFFAOYSA-N 0 0 294.257 1.879 20 10 CDCDRN COC(=O)[C@@H](NC(=O)N[C@H](C)c1ccccc1O)C(C)C ZINC001190258867 921940526 /nfs/dbraw/zinc/94/05/26/921940526.db2.gz IPKDSGHKIDCRBW-MFKMUULPSA-N 0 0 294.351 1.950 20 10 CDCDRN CN(Cc1ccccc1O)S(=O)(=O)c1ccncc1 ZINC001190875800 922272018 /nfs/dbraw/zinc/27/20/18/922272018.db2.gz ASYGJRSDNBIKQP-UHFFFAOYSA-N 0 0 278.333 1.608 20 10 CDCDRN CCN(CC)c1ccc(CN2CC(F)(CO)C2)c(O)c1 ZINC001140850100 936764216 /nfs/dbraw/zinc/76/42/16/936764216.db2.gz DFZGPAOZDVJKGJ-UHFFFAOYSA-N 0 0 282.359 1.755 20 10 CDCDRN COc1cc(O)c(C[N@@H+]2C[C@@H](C)C[C@H]2CO)c(OC)c1 ZINC001141032332 936795605 /nfs/dbraw/zinc/79/56/05/936795605.db2.gz YOJCVUVKEOBVFK-QWRGUYRKSA-N 0 0 281.352 1.612 20 10 CDCDRN [O-]c1cccc(F)c1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC001137838483 923020646 /nfs/dbraw/zinc/02/06/46/923020646.db2.gz BMCARUJUKCAFAR-NSHDSACASA-N 0 0 276.315 1.960 20 10 CDCDRN COc1cc(C(=O)NC2CN(C(C)(C)C)C2)cc(OC)n1 ZINC001192422257 923064640 /nfs/dbraw/zinc/06/46/40/923064640.db2.gz ZWKNQKMQHCRKJP-UHFFFAOYSA-N 0 0 293.367 1.311 20 10 CDCDRN CC1(O)CN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141074418 936809425 /nfs/dbraw/zinc/80/94/25/936809425.db2.gz HQKSMZDRAIUJFF-UHFFFAOYSA-N 0 0 272.392 1.952 20 10 CDCDRN Cn1cnc2c1CN(Cc1ccc3c(c1)OCCN3C)CC2 ZINC001141146108 936820164 /nfs/dbraw/zinc/82/01/64/936820164.db2.gz KYGNXXCHTKWZLW-UHFFFAOYSA-N 0 0 298.390 1.807 20 10 CDCDRN Oc1cc2c(cc1O)CN(Cc1cn[nH]c1)CCC2 ZINC001203099189 936823096 /nfs/dbraw/zinc/82/30/96/936823096.db2.gz LDNXGIPCALGUEM-UHFFFAOYSA-N 0 0 259.309 1.769 20 10 CDCDRN Oc1ccc(O)c(C[N@@H+]2CCCC3(C2)OCCO3)c1 ZINC001141161000 936823208 /nfs/dbraw/zinc/82/32/08/936823208.db2.gz MNVQPPAXZCMAGS-UHFFFAOYSA-N 0 0 265.309 1.437 20 10 CDCDRN CCOC(=O)[C@@H]1CSCCN1Cc1cc(O)ccc1O ZINC001141162622 936823979 /nfs/dbraw/zinc/82/39/79/936823979.db2.gz XSMUGAOOXJJCSL-LBPRGKRZSA-N 0 0 297.376 1.578 20 10 CDCDRN COc1cc(C(=O)Nc2ncn(C)c2C)cc(O)c1O ZINC001193088519 923434234 /nfs/dbraw/zinc/43/42/34/923434234.db2.gz GDFQCUOOQVSPOT-UHFFFAOYSA-N 0 0 277.280 1.401 20 10 CDCDRN COc1cc(C(=O)N2C[C@@H](CO)CC[C@@H]2C)cc(O)c1O ZINC001193090330 923435614 /nfs/dbraw/zinc/43/56/14/923435614.db2.gz WNMJSICYZYWPGY-UWVGGRQHSA-N 0 0 295.335 1.339 20 10 CDCDRN CC(C)(C)COC(=O)NC[C@H](O)c1ccc(O)c(O)c1 ZINC001194351310 924172055 /nfs/dbraw/zinc/17/20/55/924172055.db2.gz VTJXCQWVSAFDSR-LBPRGKRZSA-N 0 0 283.324 1.904 20 10 CDCDRN CC[C@@H](C)OC(=O)NCCc1cc(O)c(O)cc1O ZINC001195144567 924483893 /nfs/dbraw/zinc/48/38/93/924483893.db2.gz MUCYPZVMQLRPLY-MRVPVSSYSA-N 0 0 269.297 1.871 20 10 CDCDRN CC1=C(C)CN(C(=O)C(=O)Nc2ccc(N)cc2)CC1 ZINC000841121245 936976317 /nfs/dbraw/zinc/97/63/17/936976317.db2.gz RSHLNSRNBKKZCT-UHFFFAOYSA-N 0 0 273.336 1.776 20 10 CDCDRN O=C(NCc1ccccc1O)c1cnc(=O)n(CC2CC2)c1 ZINC001197774706 925214019 /nfs/dbraw/zinc/21/40/19/925214019.db2.gz NELSPFJRZBORHM-UHFFFAOYSA-N 0 0 299.330 1.289 20 10 CDCDRN CCN(CC)c1ccc(C[NH2+][C@@H](CO)C(=O)[O-])cc1F ZINC001119613574 925432480 /nfs/dbraw/zinc/43/24/80/925432480.db2.gz KZHOPXKRGDNDEB-LBPRGKRZSA-N 0 0 284.331 1.207 20 10 CDCDRN O=C(C=Cc1c[nH]cn1)N1CCc2cccc(O)c2C1 ZINC001142273285 936998301 /nfs/dbraw/zinc/99/83/01/936998301.db2.gz WSGLDHJHTKAJRH-SNAWJCMRSA-N 0 0 269.304 1.713 20 10 CDCDRN Cc1ccc(C(=O)N2CCc3cccc(O)c3C2)[nH]c1=O ZINC001199268117 925662968 /nfs/dbraw/zinc/66/29/68/925662968.db2.gz NRPLEEGJKHQAMI-UHFFFAOYSA-N 0 0 284.315 2.000 20 10 CDCDRN COC(=O)[C@@H]1COCCN1Cc1cc(F)c(F)cc1O ZINC001142524969 937027778 /nfs/dbraw/zinc/02/77/78/937027778.db2.gz RKDCMQLECNYBQG-NSHDSACASA-N 0 0 287.262 1.044 20 10 CDCDRN C[C@@]1(CO)CC[N@H+](Cc2cc(F)c(F)cc2[O-])C[C@H]1O ZINC001142508727 937024665 /nfs/dbraw/zinc/02/46/65/937024665.db2.gz JOXZWIPFEXZZCC-KGLIPLIRSA-N 0 0 287.306 1.236 20 10 CDCDRN Oc1cccc(CNC(=S)Nc2cccnc2)c1O ZINC001199909220 925915964 /nfs/dbraw/zinc/91/59/64/925915964.db2.gz IBQPSPMAHBNDRU-UHFFFAOYSA-N 0 0 275.333 1.979 20 10 CDCDRN C[C@@H](CO)N(CC1CCC1)C(=O)Cc1ccc(O)c(O)c1 ZINC001155085848 926517176 /nfs/dbraw/zinc/51/71/76/926517176.db2.gz SKNYCHMNVAONHR-NSHDSACASA-N 0 0 293.363 1.650 20 10 CDCDRN CC(=O)NCC[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000843427458 937148048 /nfs/dbraw/zinc/14/80/48/937148048.db2.gz BTISDVRWKRPYNT-UHFFFAOYSA-N 0 0 274.723 1.753 20 10 CDCDRN Oc1ccc(CNc2ncc3[nH]cnc3n2)cc1O ZINC001169993430 928878841 /nfs/dbraw/zinc/87/88/41/928878841.db2.gz OPNVGUAUYYXGIM-UHFFFAOYSA-N 0 0 257.253 1.328 20 10 CDCDRN Cc1cc(C)c(CNC(=O)c2nnc3cnccn32)c(O)c1 ZINC001152031524 937330178 /nfs/dbraw/zinc/33/01/78/937330178.db2.gz DZNIOJUCLNXMIQ-UHFFFAOYSA-N 0 0 297.318 1.377 20 10 CDCDRN O=C(NCc1ccccc1O)c1cccc2c1NC(=O)C2=O ZINC001152455955 937363215 /nfs/dbraw/zinc/36/32/15/937363215.db2.gz PBMGOTMVIQKSJE-UHFFFAOYSA-N 0 0 296.282 1.457 20 10 CDCDRN CNC(=O)CC[N@H+](C)Cc1c(F)ccc(F)c1[O-] ZINC001139682930 937400000 /nfs/dbraw/zinc/40/00/00/937400000.db2.gz FQGVCCIUOALJDQ-UHFFFAOYSA-N 0 0 258.268 1.238 20 10 CDCDRN O=C(NC[C@H](O)c1ccc(O)c(O)c1)NC1CCCCC1 ZINC001202603583 930349890 /nfs/dbraw/zinc/34/98/90/930349890.db2.gz DMKSSTMZMKVABE-AWEZNQCLSA-N 0 0 294.351 1.763 20 10 CDCDRN [O-]c1c(F)ccc(F)c1CN1Cc2cncnc2C1 ZINC001139684748 937421392 /nfs/dbraw/zinc/42/13/92/937421392.db2.gz LEFOKZWTOWYWAL-UHFFFAOYSA-N 0 0 263.247 1.976 20 10 CDCDRN O=C(c1cc2n(n1)CCO2)N1CCc2cccc(O)c2C1 ZINC001153884753 937480387 /nfs/dbraw/zinc/48/03/87/937480387.db2.gz MMHGCMWTKUNKLZ-UHFFFAOYSA-N 0 0 285.303 1.180 20 10 CDCDRN CCOc1ccc(N2CC3(C2)CN(C)C(=O)CO3)cc1 ZINC001274797263 931578747 /nfs/dbraw/zinc/57/87/47/931578747.db2.gz AUEVTUNKIVGMOW-UHFFFAOYSA-N 0 0 276.336 1.133 20 10 CDCDRN CC(=O)O[C@@H](C)C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001144154934 931673667 /nfs/dbraw/zinc/67/36/67/931673667.db2.gz AWTHCKHLXPDKLO-VIFPVBQESA-N 0 0 293.319 1.324 20 10 CDCDRN C[C@H](NC(=O)c1cccc(O)c1O)c1cncnc1 ZINC001148220221 932672072 /nfs/dbraw/zinc/67/20/72/932672072.db2.gz ZEYZLVFXZOBYOV-QMMMGPOBSA-N 0 0 259.265 1.379 20 10 CDCDRN CCc1cccc(CN(C)[C@@H]2CCS(=O)(=O)C2)c1O ZINC000692091920 934381250 /nfs/dbraw/zinc/38/12/50/934381250.db2.gz PRISCDHCCIPLNM-CYBMUJFWSA-N 0 0 283.393 1.574 20 10 CDCDRN Cc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)nn1C ZINC000779533350 934598107 /nfs/dbraw/zinc/59/81/07/934598107.db2.gz DPHFGXJUFMZYTC-XQRVVYSFSA-N 0 0 273.292 1.792 20 10 CDCDRN C[C@H]1COCCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001120585150 937814064 /nfs/dbraw/zinc/81/40/64/937814064.db2.gz ZPHDWFSRGSOHAN-LLVKDONJSA-N 0 0 263.341 1.447 20 10 CDCDRN Nc1ccc(CNC(=O)N2CCC[C@H](CCO)CC2)cc1 ZINC001120591670 937815049 /nfs/dbraw/zinc/81/50/49/937815049.db2.gz FHFQPUXPRVKGSS-ZDUSSCGKSA-N 0 0 291.395 1.963 20 10 CDCDRN CC[C@@](C)(CCO)NC(=O)NCc1ccc(N)cc1 ZINC001120677824 937824871 /nfs/dbraw/zinc/82/48/71/937824871.db2.gz XTASOLKJSMBLIZ-AWEZNQCLSA-N 0 0 265.357 1.619 20 10 CDCDRN COc1ccc(CC(=O)NCc2c(O)cccc2F)nc1 ZINC001156171190 938327609 /nfs/dbraw/zinc/32/76/09/938327609.db2.gz XMCPXGUZOVVYRN-UHFFFAOYSA-N 0 0 290.294 1.794 20 10 CDCDRN O=C(NCc1ccccc1O)c1nccc2c[nH]nc21 ZINC001156487672 938374734 /nfs/dbraw/zinc/37/47/34/938374734.db2.gz SUZFOMAIYUMREN-UHFFFAOYSA-N 0 0 268.276 1.594 20 10 CDCDRN O=C(CNc1ccnc2ccnn21)c1ccc(O)c(O)c1 ZINC001159272575 938716567 /nfs/dbraw/zinc/71/65/67/938716567.db2.gz PSYYJFRCCQYQGV-UHFFFAOYSA-N 0 0 284.275 1.435 20 10 CDCDRN O=C(COc1ccsc1)NCc1ccc(O)cc1O ZINC001162278460 938970310 /nfs/dbraw/zinc/97/03/10/938970310.db2.gz IESNVVUIVNWNEE-UHFFFAOYSA-N 0 0 279.317 1.855 20 10 CDCDRN CCOc1cccc(CN2C[C@@H]3C[C@H]2C(=O)O3)c1O ZINC001203615372 939696397 /nfs/dbraw/zinc/69/63/97/939696397.db2.gz UEJWFXAPXRPOAJ-QWRGUYRKSA-N 0 0 263.293 1.291 20 10 CDCDRN Oc1ccc(CN2CCN(c3ccccn3)CC2)cc1O ZINC001203874410 939709784 /nfs/dbraw/zinc/70/97/84/939709784.db2.gz WTSIWQIVTHZKOU-UHFFFAOYSA-N 0 0 285.347 1.815 20 10 CDCDRN O=C1CCCN(Cc2ccc(O)c(O)c2)C[C@@H]1F ZINC001203875613 939710201 /nfs/dbraw/zinc/71/02/01/939710201.db2.gz RYVQYKJKDQZUKH-JTQLQIEISA-N 0 0 253.273 1.601 20 10 CDCDRN CCOC(=O)[C@H]1CN(Cc2ccc(O)c(O)c2)CCC1=O ZINC001203874682 939710505 /nfs/dbraw/zinc/71/05/05/939710505.db2.gz BJOQYOYGPBBCSY-NSHDSACASA-N 0 0 293.319 1.052 20 10 CDCDRN CCOC(=O)C1(F)CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203879315 939710869 /nfs/dbraw/zinc/71/08/69/939710869.db2.gz OCUXMZZUKIGPCV-UHFFFAOYSA-N 0 0 297.326 1.965 20 10 CDCDRN Cn1cnc2c1CN(Cc1ccc(O)c(O)c1)CC2 ZINC001203878705 939711039 /nfs/dbraw/zinc/71/10/39/939711039.db2.gz AWFVXTHKNOQACR-UHFFFAOYSA-N 0 0 259.309 1.390 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ZINC000266338198 363554686 /nfs/dbraw/zinc/55/46/86/363554686.db2.gz LMNXXQYOHNMINB-UHFFFAOYSA-N 0 0 299.330 1.425 20 10 CDCDRN C[C@H](CN1CCCC1=O)NC(=O)NCc1ccccc1O ZINC000299463574 357075054 /nfs/dbraw/zinc/07/50/54/357075054.db2.gz ANMHHOMGMCQGFR-LLVKDONJSA-N 0 0 291.351 1.202 20 10 CDCDRN CC(=O)NC[C@@H]1CN(Cc2ccc(N(C)C)cc2)CCO1 ZINC000179707450 357221932 /nfs/dbraw/zinc/22/19/32/357221932.db2.gz LKLBXFHFMUDOSB-MRXNPFEDSA-N 0 0 291.395 1.090 20 10 CDCDRN COc1cc(O)c(C[N@@H+]2CC[C@H]([C@H](C)O)C2)cc1OC ZINC000180865329 357291774 /nfs/dbraw/zinc/29/17/74/357291774.db2.gz SJOGUTFUZKKDHW-QWRGUYRKSA-N 0 0 281.352 1.612 20 10 CDCDRN C[C@@H](C[S@@](C)=O)NC(=O)N(C)Cc1ccccc1O ZINC000182619922 357442939 /nfs/dbraw/zinc/44/29/39/357442939.db2.gz PIQMWPULVVEAQT-APBUJDDRSA-N 0 0 284.381 1.301 20 10 CDCDRN C[C@H](c1nnnn1C)N1CCOc2cc(N(C)C)ccc21 ZINC000189785427 358040124 /nfs/dbraw/zinc/04/01/24/358040124.db2.gz ZUMDILHZKAFPLD-SNVBAGLBSA-N 0 0 288.355 1.236 20 10 CDCDRN CCC[C@@H](OC)C(=O)NCc1cccc(OC)c1O ZINC000294775866 199177449 /nfs/dbraw/zinc/17/74/49/199177449.db2.gz CGNFKPINLMUYSB-GFCCVEGCSA-N 0 0 267.325 1.832 20 10 CDCDRN Cc1cc(C(=O)NCCO)c(C)n1-c1ccc(F)cc1 ZINC000098067253 358811296 /nfs/dbraw/zinc/81/12/96/358811296.db2.gz UZVIHXMILLJTFG-UHFFFAOYSA-N 0 0 276.311 1.955 20 10 CDCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCC(N)=O ZINC000103943764 358938808 /nfs/dbraw/zinc/93/88/08/358938808.db2.gz HSIDHBVVLLAITN-UHFFFAOYSA-N 0 0 285.347 1.618 20 10 CDCDRN CC[C@H](C)N(CC(=O)OC)C(=O)c1ccc(C)c(O)c1O ZINC000297032401 200067161 /nfs/dbraw/zinc/06/71/61/200067161.db2.gz VDOMVIDDQPWKOL-JTQLQIEISA-N 0 0 295.335 1.820 20 10 CDCDRN Nc1ccc(CCNC(=O)c2n[nH]c3c2CCC3)cc1 ZINC000237965306 361497549 /nfs/dbraw/zinc/49/75/49/361497549.db2.gz SSPSYUNZGMRVCL-UHFFFAOYSA-N 0 0 270.336 1.453 20 10 CDCDRN CCOC(=O)CCCNC(=O)c1ccc(C)c(O)c1O ZINC000267603492 363855079 /nfs/dbraw/zinc/85/50/79/363855079.db2.gz PWPMKDNKGZNWSJ-UHFFFAOYSA-N 0 0 281.308 1.479 20 10 CDCDRN O=C(CCCCN1CCOCC1)NCc1ccccc1O ZINC000269166742 364150275 /nfs/dbraw/zinc/15/02/75/364150275.db2.gz XGHSVBFLOCBXEY-UHFFFAOYSA-N 0 0 292.379 1.511 20 10 CDCDRN COc1cccc(CNC(=O)[C@H]2CCCN2C(C)=O)c1O ZINC000269195992 364154307 /nfs/dbraw/zinc/15/43/07/364154307.db2.gz PWNKMUCESKWZIZ-GFCCVEGCSA-N 0 0 292.335 1.028 20 10 CDCDRN COc1cccc(CNC(=O)Cc2cc(C)on2)c1O ZINC000269206690 364157899 /nfs/dbraw/zinc/15/78/99/364157899.db2.gz UIOGLCQDODSJFS-UHFFFAOYSA-N 0 0 276.292 1.556 20 10 CDCDRN CCN1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000271035964 364885293 /nfs/dbraw/zinc/88/52/93/364885293.db2.gz LWTZBIMPOAZNMV-UHFFFAOYSA-N 0 0 295.339 1.754 20 10 CDCDRN OCCO[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000271213444 364975803 /nfs/dbraw/zinc/97/58/03/364975803.db2.gz ZEQITEACSFDSCD-LBPRGKRZSA-N 0 0 295.335 1.094 20 10 CDCDRN O=C(NCCc1ccc(O)c(O)c1)OCC(F)(F)F ZINC000172043693 365459442 /nfs/dbraw/zinc/45/94/42/365459442.db2.gz AZUHDYKXJWBABN-UHFFFAOYSA-N 0 0 279.214 1.929 20 10 CDCDRN COC[C@@H](CCO)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273371111 365489701 /nfs/dbraw/zinc/48/97/01/365489701.db2.gz CLZIQNNOSNZIRP-ZYHUDNBSSA-N 0 0 297.351 1.227 20 10 CDCDRN COC(=O)c1ccc(O)c([C@@H](C)NCc2nncn2C)c1 ZINC000273394914 365491251 /nfs/dbraw/zinc/49/12/51/365491251.db2.gz LQNVGYJXOBRWEZ-SECBINFHSA-N 0 0 290.323 1.158 20 10 CDCDRN O=C(NCC[C@H]1CCCCO1)c1cccc(O)c1O ZINC000193157999 367413442 /nfs/dbraw/zinc/41/34/42/367413442.db2.gz YEWBPSCWARKJCB-SNVBAGLBSA-N 0 0 265.309 1.787 20 10 CDCDRN CCCCCS(=O)(=O)CC(=O)Nc1ccc(N)cc1 ZINC000226132105 367359651 /nfs/dbraw/zinc/35/96/51/367359651.db2.gz DIOLSSSXEAEZAX-UHFFFAOYSA-N 0 0 284.381 1.812 20 10 CDCDRN CC(C)n1cnc(C(=O)NCc2ccc(O)c(O)c2)c1 ZINC000282559929 367942473 /nfs/dbraw/zinc/94/24/73/367942473.db2.gz BBYWAGWBFPTMLE-UHFFFAOYSA-N 0 0 275.308 1.805 20 10 CDCDRN COc1ccc(O)c(CN2CC[C@H](S(C)(=O)=O)C2)c1 ZINC000282826368 368056608 /nfs/dbraw/zinc/05/66/08/368056608.db2.gz UNRAXHOSJFNRKH-LBPRGKRZSA-N 0 0 285.365 1.020 20 10 CDCDRN COC(=O)[C@H]1CN(Cc2c(O)cccc2Cl)C[C@@H](C)O1 ZINC000283006495 368142633 /nfs/dbraw/zinc/14/26/33/368142633.db2.gz LBLIWEINSMWRCQ-NOZJJQNGSA-N 0 0 299.754 1.808 20 10 CDCDRN C[C@H]([NH2+]C[C@H]1COCCN1)c1ccc(F)cc1[O-] ZINC000530227846 368151413 /nfs/dbraw/zinc/15/14/13/368151413.db2.gz WHMCPMUUIGQZGU-ONGXEEELSA-N 0 0 254.305 1.170 20 10 CDCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](C)CC(N)=O ZINC000283375073 368269121 /nfs/dbraw/zinc/26/91/21/368269121.db2.gz JSOJXSAJPJWEKO-LLVKDONJSA-N 0 0 278.352 1.642 20 10 CDCDRN C[C@@H]([NH2+]CCOCCO)c1ccc(F)c(F)c1[O-] ZINC000191186815 296125970 /nfs/dbraw/zinc/12/59/70/296125970.db2.gz XZHLYJWKPZMHMX-MRVPVSSYSA-N 0 0 261.268 1.330 20 10 CDCDRN Cc1ccc(C(=O)N[C@@](C)(C(N)=O)C(C)C)c(O)c1O ZINC000286327166 368781701 /nfs/dbraw/zinc/78/17/01/368781701.db2.gz BEACPBJWIVSIMS-CQSZACIVSA-N 0 0 280.324 1.036 20 10 CDCDRN Cc1ccc(C(=O)N[C@](C)(C(N)=O)C(C)C)c(O)c1O ZINC000286327162 368782152 /nfs/dbraw/zinc/78/21/52/368782152.db2.gz BEACPBJWIVSIMS-AWEZNQCLSA-N 0 0 280.324 1.036 20 10 CDCDRN COc1ccc2[nH]c(SCC(=O)C(C)=O)nc2c1 ZINC000288317036 369431206 /nfs/dbraw/zinc/43/12/06/369431206.db2.gz CXEOGLAHVYLMHP-UHFFFAOYSA-N 0 0 264.306 1.822 20 10 CDCDRN COc1ccc(N2CCN(C(=O)[C@H]3CC3(F)F)CC2)cc1 ZINC000294312551 371045181 /nfs/dbraw/zinc/04/51/81/371045181.db2.gz JICWJCTXLVEBNX-CYBMUJFWSA-N 0 0 296.317 1.999 20 10 CDCDRN COC(=O)c1cnc(S[C@H](C)c2nnnn2C)s1 ZINC000295426395 371270552 /nfs/dbraw/zinc/27/05/52/371270552.db2.gz YRYSNIUDMPWKDA-RXMQYKEDSA-N 0 0 285.354 1.307 20 10 CDCDRN O=S1(=O)CC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000124500565 375988604 /nfs/dbraw/zinc/98/86/04/375988604.db2.gz BGCWGJWSGKQVSW-VIFPVBQESA-N 0 0 275.757 1.322 20 10 CDCDRN CC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@@H](C)CO ZINC000293666093 378597122 /nfs/dbraw/zinc/59/71/22/378597122.db2.gz OKTIJVKYCOLWOJ-JTQLQIEISA-N 0 0 269.341 1.612 20 10 CDCDRN C[C@@H](O)CCCNC(=O)c1c(F)ccc(O)c1O ZINC000295219732 378661365 /nfs/dbraw/zinc/66/13/65/378661365.db2.gz MZRKIGYUKGDHHZ-SSDOTTSWSA-N 0 0 257.261 1.128 20 10 CDCDRN O=C(NCCCCCO)c1c(F)ccc(O)c1O ZINC000296330164 378726878 /nfs/dbraw/zinc/72/68/78/378726878.db2.gz PHPYTZWPYYGEEM-UHFFFAOYSA-N 0 0 257.261 1.129 20 10 CDCDRN COc1ccc(N(C)CC(=O)NC2CC2)c(OC)c1 ZINC000132145633 390931230 /nfs/dbraw/zinc/93/12/30/390931230.db2.gz BONAPUWAWNHCAK-UHFFFAOYSA-N 0 0 264.325 1.419 20 10 CDCDRN CCCCS(=O)(=O)NCc1cccc(OC)c1O ZINC000151302649 390965379 /nfs/dbraw/zinc/96/53/79/390965379.db2.gz GBUBDGVHXBCTST-UHFFFAOYSA-N 0 0 273.354 1.620 20 10 CDCDRN COCC1(CNC(=O)c2cccc(O)c2O)CCC1 ZINC000281927729 390972354 /nfs/dbraw/zinc/97/23/54/390972354.db2.gz AYORRFDBOLQBCC-UHFFFAOYSA-N 0 0 265.309 1.644 20 10 CDCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnccn1 ZINC000173206064 391103969 /nfs/dbraw/zinc/10/39/69/391103969.db2.gz CDLXQSBODAGROI-UHFFFAOYSA-N 0 0 284.319 1.582 20 10 CDCDRN CCOc1cccc(C[NH2+]CCSCCCO)c1O ZINC000105643352 391065297 /nfs/dbraw/zinc/06/52/97/391065297.db2.gz HBGGAZATNQFIDB-UHFFFAOYSA-N 0 0 285.409 1.996 20 10 CDCDRN O=C(C[C@@H]1CCCO1)NCCc1ccc(O)c(O)c1 ZINC000178424660 391186058 /nfs/dbraw/zinc/18/60/58/391186058.db2.gz DCJMOVHUXYNYEM-NSHDSACASA-N 0 0 265.309 1.326 20 10 CDCDRN COC[C@H](C)N(C)C(=O)c1ccc(C)c(O)c1O ZINC000182122529 391230805 /nfs/dbraw/zinc/23/08/05/391230805.db2.gz DXVOMSSONZROIG-VIFPVBQESA-N 0 0 253.298 1.513 20 10 CDCDRN CSC[C@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC000182474987 391235375 /nfs/dbraw/zinc/23/53/75/391235375.db2.gz JRLWFCBGRHRIMM-QMMMGPOBSA-N 0 0 255.339 1.888 20 10 CDCDRN Cc1ccc(C(=O)N[C@H](CO)CC(C)C)c(O)c1O ZINC000182901541 391247063 /nfs/dbraw/zinc/24/70/63/391247063.db2.gz WMGAUKXIVUDEEF-JTQLQIEISA-N 0 0 267.325 1.543 20 10 CDCDRN CCCNC(=O)CN(C)c1ccc(OCC(=O)OC)cc1 ZINC000183806558 391269921 /nfs/dbraw/zinc/26/99/21/391269921.db2.gz NDTGTTNNEJJEJY-UHFFFAOYSA-N 0 0 294.351 1.201 20 10 CDCDRN Cc1c(/C=C/C(=O)N(C)c2cccnc2)cnn1C ZINC000179323527 391780136 /nfs/dbraw/zinc/78/01/36/391780136.db2.gz MEOPWTKAUMCZJB-VOTSOKGWSA-N 0 0 256.309 1.800 20 10 CDCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C=Cc1c[nH]cn1 ZINC000493594511 393215582 /nfs/dbraw/zinc/21/55/82/393215582.db2.gz ZRIGJECTOHMRIQ-UTCJRWHESA-N 0 0 298.346 1.915 20 10 CDCDRN COc1cc([N+](=O)[O-])c(N2C[C@H]3[C@H](CO)[C@H]3C2)cc1OC ZINC000366165208 286248763 /nfs/dbraw/zinc/24/87/63/286248763.db2.gz CEAYCVUBBDQWGM-MYJAWHEDSA-N 0 0 294.307 1.287 20 10 CDCDRN CCCN(CC(=O)OCC)C(=O)c1cccc(O)c1O ZINC000126340645 260350667 /nfs/dbraw/zinc/35/06/67/260350667.db2.gz YCNRQRGJODMJQW-UHFFFAOYSA-N 0 0 281.308 1.513 20 10 CDCDRN CC(=O)N1CCC[C@@H](C(=O)NCCc2ccc(N)cc2)C1 ZINC000152496865 261065125 /nfs/dbraw/zinc/06/51/25/261065125.db2.gz BHIZESCENINAJJ-CQSZACIVSA-N 0 0 289.379 1.186 20 10 CDCDRN COc1cccc(CNC(=O)C2(O)CCCCC2)c1O ZINC000155679999 261105933 /nfs/dbraw/zinc/10/59/33/261105933.db2.gz BNVPGPPZCGNWHC-UHFFFAOYSA-N 0 0 279.336 1.712 20 10 CDCDRN Nc1ccc(CC(=O)N2CCC[C@H](n3cncn3)C2)cc1 ZINC000156380891 261121729 /nfs/dbraw/zinc/12/17/29/261121729.db2.gz FBRJAFIOKHFPEV-AWEZNQCLSA-N 0 0 285.351 1.267 20 10 CDCDRN Nc1ccc(CC(=O)Nc2nc3c(s2)COCC3)cc1 ZINC000178509287 261747102 /nfs/dbraw/zinc/74/71/02/261747102.db2.gz KNDLHADNIFAVKY-UHFFFAOYSA-N 0 0 289.360 1.979 20 10 CDCDRN CO[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181033197 261882048 /nfs/dbraw/zinc/88/20/48/261882048.db2.gz ZMHMZWAIGDMUMM-HOSRBBHYSA-N 0 0 277.320 1.748 20 10 CDCDRN CC[C@](C)(CCO)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181323845 261894304 /nfs/dbraw/zinc/89/43/04/261894304.db2.gz NDQHCODMNKJKMY-KEDPEKRHSA-N 0 0 279.336 1.778 20 10 CDCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCO1 ZINC000183463396 261976381 /nfs/dbraw/zinc/97/63/81/261976381.db2.gz FWTUDXPQQPFREZ-TVQRCGJNSA-N 0 0 265.309 1.324 20 10 CDCDRN C[C@H]1COCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272445734 263004590 /nfs/dbraw/zinc/00/45/90/263004590.db2.gz MYLVEIPYIQFJPQ-GFAPAMAISA-N 0 0 263.293 1.358 20 10 CDCDRN Cc1ccc(C(=O)N2CC[C@@H](C)[S@@](=O)CC2)c(O)c1O ZINC000277458630 263041274 /nfs/dbraw/zinc/04/12/74/263041274.db2.gz GIHURRNAGABGGL-SBKAZYGRSA-N 0 0 297.376 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ZINC000811188845 1163433521 /nfs/dbraw/zinc/43/35/21/1163433521.db2.gz AHCMCYRYTRAWEC-ZCFIWIBFSA-N 0 0 264.237 1.707 20 10 CDCDRN COC[C@](C)(CC(=O)[O-])[NH2+]Cc1cc2c(cc1O)OCO2 ZINC001599149280 998265651 /nfs/dbraw/zinc/26/56/51/998265651.db2.gz BGBOCSOAGDZQNZ-AWEZNQCLSA-N 0 0 297.307 1.090 20 10 CDCDRN C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1cc(C(=O)[O-])ccc1O ZINC001594260684 999005137 /nfs/dbraw/zinc/00/51/37/999005137.db2.gz FHCNICLUHMYTDY-WCABBAIRSA-N 0 0 265.309 1.918 20 10 CDCDRN CON(C)C(=O)C1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000812713225 1163678083 /nfs/dbraw/zinc/67/80/83/1163678083.db2.gz OKCVPVKVHOJFEA-UHFFFAOYSA-N 0 0 298.364 1.326 20 10 CDCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ncn[nH]1 ZINC000269490688 539052996 /nfs/dbraw/zinc/05/29/96/539052996.db2.gz XSBQYZDQFKFUGB-UHFFFAOYSA-N 0 0 271.324 1.335 20 10 CDCDRN CC1CC(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000080117283 342350254 /nfs/dbraw/zinc/35/02/54/342350254.db2.gz QGYREBSEYRHOLK-UHFFFAOYSA-N 0 0 298.364 1.292 20 10 CDCDRN CCN(CCO)C(=O)NCc1ccc(N(C)C)cc1 ZINC000031731090 345383432 /nfs/dbraw/zinc/38/34/32/345383432.db2.gz BTIJNXVZWSSAQG-UHFFFAOYSA-N 0 0 265.357 1.276 20 10 CDCDRN CCN(CC)c1ccc(C[NH2+][C@H](CO)C(=O)[O-])cc1 ZINC000075423934 1172117854 /nfs/dbraw/zinc/11/78/54/1172117854.db2.gz IWQAXMMATZPRQV-CYBMUJFWSA-N 0 0 266.341 1.068 20 10 CDCDRN COC[C@@H](O)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293626580 198708618 /nfs/dbraw/zinc/70/86/18/198708618.db2.gz MWHJGAIUTQBVNN-QMMMGPOBSA-N 0 0 263.696 1.282 20 10 CDCDRN Cc1cccc(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)c1O ZINC000179710554 357221525 /nfs/dbraw/zinc/22/15/25/357221525.db2.gz DTZLLRGGQLCFLO-CQSZACIVSA-N 0 0 295.404 1.852 20 10 CDCDRN CC(C)NC(=O)CCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180663986 357281286 /nfs/dbraw/zinc/28/12/86/357281286.db2.gz QYOHHMUELFQCOB-GQCTYLIASA-N 0 0 292.335 1.142 20 10 CDCDRN COc1cc(O)c(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)cc1OC ZINC000180865344 357291124 /nfs/dbraw/zinc/29/11/24/357291124.db2.gz SJOGUTFUZKKDHW-MNOVXSKESA-N 0 0 281.352 1.612 20 10 CDCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)O ZINC000294347550 199006706 /nfs/dbraw/zinc/00/67/06/199006706.db2.gz GJAGXOIVZAINJF-LBPRGKRZSA-N 0 0 264.369 1.870 20 10 CDCDRN COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc(N(C)C)c(C)c1 ZINC000294400325 199025633 /nfs/dbraw/zinc/02/56/33/199025633.db2.gz CLEBYDKBQIHSJW-ZFWWWQNUSA-N 0 0 292.379 1.169 20 10 CDCDRN CCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000073043157 357862926 /nfs/dbraw/zinc/86/29/26/357862926.db2.gz DQKMKVIVSAAEQS-UHFFFAOYSA-N 0 0 277.368 1.685 20 10 CDCDRN CN(C)c1ccc(CNC(=O)C(=O)NCC2CC2)cc1F ZINC000191798056 358154282 /nfs/dbraw/zinc/15/42/82/358154282.db2.gz AVIVEHMHGPZTMY-UHFFFAOYSA-N 0 0 293.342 1.034 20 10 CDCDRN COc1cc(Cl)cc(CN2CCOC[C@@H](O)C2)c1O ZINC000294836004 199205724 /nfs/dbraw/zinc/20/57/24/199205724.db2.gz QMSYRQLFWFWKAT-NSHDSACASA-N 0 0 287.743 1.247 20 10 CDCDRN Cc1ccc(O)c(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)c1 ZINC000092703423 358560744 /nfs/dbraw/zinc/56/07/44/358560744.db2.gz WTYCOYLYLBHMKC-KGLIPLIRSA-N 0 0 274.364 1.944 20 10 CDCDRN Cc1cc(C(=O)NCCO)c(C)n1-c1ccccc1 ZINC000098067252 358810645 /nfs/dbraw/zinc/81/06/45/358810645.db2.gz PHSLIUMHIGMWKR-UHFFFAOYSA-N 0 0 258.321 1.816 20 10 CDCDRN C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)Cc1ccccc1O ZINC000114721376 359494801 /nfs/dbraw/zinc/49/48/01/359494801.db2.gz KDJDSLSKNUFGKK-JSGCOSHPSA-N 0 0 292.379 1.508 20 10 CDCDRN CCOc1cccc(CN2CCS(=O)(=O)C[C@@H]2C)c1O ZINC000179771523 364998370 /nfs/dbraw/zinc/99/83/70/364998370.db2.gz KEBPVLGECQUOBG-NSHDSACASA-N 0 0 299.392 1.410 20 10 CDCDRN CC[C@H]1CC[C@H](C(=O)NCc2ccc(O)c(O)c2)O1 ZINC000272267163 365161959 /nfs/dbraw/zinc/16/19/59/365161959.db2.gz COUCSRBSFHNXOS-GXFFZTMASA-N 0 0 265.309 1.672 20 10 CDCDRN COCC1(CNC(=O)c2cccc(O)c2O)CCOCC1 ZINC000293764051 370786659 /nfs/dbraw/zinc/78/66/59/370786659.db2.gz XSKYLUUQXLOXIQ-UHFFFAOYSA-N 0 0 295.335 1.271 20 10 CDCDRN Cc1ccc(C(=O)N2CCC[C@@H](OCCO)C2)c(O)c1O ZINC000272806057 365405283 /nfs/dbraw/zinc/40/52/83/365405283.db2.gz ZKKIXYHTNUBLAT-LLVKDONJSA-N 0 0 295.335 1.020 20 10 CDCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC[C@H](C)O)c1 ZINC000273556436 365507040 /nfs/dbraw/zinc/50/70/40/365507040.db2.gz HBNOAYJQEWGVSI-VHSXEESVSA-N 0 0 267.325 1.600 20 10 CDCDRN C[C@@H](O)C[N@@H+]1CCN(Cc2cccc(Cl)c2[O-])[C@@H](C)C1 ZINC000281129854 367593786 /nfs/dbraw/zinc/59/37/86/367593786.db2.gz YEKPLKSSWVHKDE-NWDGAFQWSA-N 0 0 298.814 1.933 20 10 CDCDRN COc1cccc(CNC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)c1O ZINC000282633038 367968324 /nfs/dbraw/zinc/96/83/24/367968324.db2.gz YTSDYOPXQTVSON-IMSIIYSGSA-N 0 0 279.336 1.831 20 10 CDCDRN COc1cc(O)c(CN2CC(=O)NCC2(C)C)cc1OC ZINC000282716744 368005501 /nfs/dbraw/zinc/00/55/01/368005501.db2.gz LGCLVBCKFFTAJM-UHFFFAOYSA-N 0 0 294.351 1.120 20 10 CDCDRN COC(=O)[C@@H]1CC[C@@H]1C(=O)N(C)Cc1ccccc1O ZINC000285603167 368646636 /nfs/dbraw/zinc/64/66/36/368646636.db2.gz IQEKKJFYWPFUPT-NWDGAFQWSA-N 0 0 277.320 1.550 20 10 CDCDRN CCN1CCN(C(=O)c2cccc(O)c2O)[C@H](C)C1 ZINC000286555373 368883068 /nfs/dbraw/zinc/88/30/68/368883068.db2.gz ACTIPNHJMUBEJI-SNVBAGLBSA-N 0 0 264.325 1.264 20 10 CDCDRN CN(Cc1ccccc1O)S(=O)(=O)N1CCCCC1 ZINC000269839957 369132836 /nfs/dbraw/zinc/13/28/36/369132836.db2.gz VUOBEKTUUUKHMN-UHFFFAOYSA-N 0 0 284.381 1.555 20 10 CDCDRN CC[C@@H]([NH2+]Cc1cnnn1C)c1ccc(F)cc1[O-] ZINC000287485497 369212729 /nfs/dbraw/zinc/21/27/29/369212729.db2.gz XLGGYXQJZDSLGU-GFCCVEGCSA-N 0 0 264.304 1.901 20 10 CDCDRN CC[C@@H](C)[C@H](CNC(=O)c1cccc(O)c1O)OC ZINC000294239946 371356877 /nfs/dbraw/zinc/35/68/77/371356877.db2.gz PCXSXRBGGTUSQF-SKDRFNHKSA-N 0 0 267.325 1.889 20 10 CDCDRN CCc1nnc(CNC(=O)c2ccc(C)c(O)c2O)[nH]1 ZINC000295735189 371428349 /nfs/dbraw/zinc/42/83/49/371428349.db2.gz RZSSYYPRVWZCTP-UHFFFAOYSA-N 0 0 276.296 1.017 20 10 CDCDRN COc1cccc(CN2CCS(=O)(=O)C[C@@H](C)C2)c1O ZINC000192065885 373578275 /nfs/dbraw/zinc/57/82/75/373578275.db2.gz NGJIYHMTEZUWIY-NSHDSACASA-N 0 0 299.392 1.267 20 10 CDCDRN COc1cccc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1O ZINC000073110383 376825908 /nfs/dbraw/zinc/82/59/08/376825908.db2.gz IKJNAFXVVWEZKC-UTUOFQBUSA-N 0 0 277.320 1.585 20 10 CDCDRN O=C(c1cccc(O)c1O)N1CCOC2(CCC2)C1 ZINC000193150884 296253740 /nfs/dbraw/zinc/25/37/40/296253740.db2.gz HXUNTKAVELOTEF-UHFFFAOYSA-N 0 0 263.293 1.493 20 10 CDCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)nn2C)c1 ZINC000069559927 378306601 /nfs/dbraw/zinc/30/66/01/378306601.db2.gz SQDYRICXPFYSOP-SNVBAGLBSA-N 0 0 289.335 1.934 20 10 CDCDRN CCO[C@@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173193025 391103753 /nfs/dbraw/zinc/10/37/53/391103753.db2.gz NUJLHDMESPZROT-NSHDSACASA-N 0 0 278.352 1.903 20 10 CDCDRN COc1cccc(CNC(=O)NCCn2ccnc2)c1O ZINC000173883472 391114059 /nfs/dbraw/zinc/11/40/59/391114059.db2.gz KBVXIBUBESUVTR-UHFFFAOYSA-N 0 0 290.323 1.097 20 10 CDCDRN Cc1ccc(C(=O)N2CCC[C@H]2C(=O)N(C)C)c(O)c1O ZINC000177683862 391174785 /nfs/dbraw/zinc/17/47/85/391174785.db2.gz STEGSNDAHNVZHX-NSHDSACASA-N 0 0 292.335 1.099 20 10 CDCDRN O=C(NCc1ccccc1O)[C@@H]1CCc2c[nH]nc2C1 ZINC000266516817 391176271 /nfs/dbraw/zinc/17/62/71/391176271.db2.gz IDAONVHKLSXZGD-SNVBAGLBSA-N 0 0 271.320 1.537 20 10 CDCDRN Oc1ccc(F)cc1C[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000376040732 391212356 /nfs/dbraw/zinc/21/23/56/391212356.db2.gz BZAPAWFNZDJITL-AWEZNQCLSA-N 0 0 251.301 1.878 20 10 CDCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)C1CC1 ZINC000359824575 391618214 /nfs/dbraw/zinc/61/82/14/391618214.db2.gz ZZRMDTHFWVCJKD-UHFFFAOYSA-N 0 0 299.374 1.724 20 10 CDCDRN CCNS(=O)(=O)NCc1ccc(N(CC)CC)cc1 ZINC000172447935 391853834 /nfs/dbraw/zinc/85/38/34/391853834.db2.gz DJGVPGKWCRYGHY-UHFFFAOYSA-N 0 0 285.413 1.477 20 10 CDCDRN C[C@@H]1CCCCN1S(=O)(=O)NCc1ccccc1O ZINC000158579274 392453542 /nfs/dbraw/zinc/45/35/42/392453542.db2.gz MNVHZQRWBCTSAT-LLVKDONJSA-N 0 0 284.381 1.601 20 10 CDCDRN Cc1ccc(C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)c(O)c1O ZINC000293914852 292066241 /nfs/dbraw/zinc/06/62/41/292066241.db2.gz GJIOVRLIBREXDA-PHIMTYICSA-N 0 0 278.352 1.571 20 10 CDCDRN CCc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)o1 ZINC000155136369 261098932 /nfs/dbraw/zinc/09/89/32/261098932.db2.gz DLTSWRQKQYUHHR-UHFFFAOYSA-N 0 0 262.265 1.276 20 10 CDCDRN C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)CCS1 ZINC000155682155 261105904 /nfs/dbraw/zinc/10/59/04/261105904.db2.gz QKPGMUPSVHWXBP-SNVBAGLBSA-N 0 0 250.367 1.775 20 10 CDCDRN CCc1nnc(CN2CCOc3cc(N(C)C)ccc32)[nH]1 ZINC000160153305 261206875 /nfs/dbraw/zinc/20/68/75/261206875.db2.gz IBYYMNQIPJIPNA-UHFFFAOYSA-N 0 0 287.367 1.832 20 10 CDCDRN COc1cccc(CNC(=O)c2cnn(C)c2C)c1O ZINC000161603246 261252985 /nfs/dbraw/zinc/25/29/85/261252985.db2.gz KIFSWQISWVYUSH-UHFFFAOYSA-N 0 0 275.308 1.373 20 10 CDCDRN COCCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000171276795 261461064 /nfs/dbraw/zinc/46/10/64/261461064.db2.gz GYMLMDHEHOATOE-UHFFFAOYSA-N 0 0 296.342 1.315 20 10 CDCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnns1 ZINC000173199414 261526168 /nfs/dbraw/zinc/52/61/68/261526168.db2.gz SHFVVNZGTNQJCR-UHFFFAOYSA-N 0 0 290.348 1.643 20 10 CDCDRN Cc1nn(C)cc1[C@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC000182318542 261934198 /nfs/dbraw/zinc/93/41/98/261934198.db2.gz AXTXYDXGRIIPNP-VIFPVBQESA-N 0 0 289.335 1.939 20 10 CDCDRN C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccc(F)cc1[O-] ZINC000186088470 262078920 /nfs/dbraw/zinc/07/89/20/262078920.db2.gz HBJGEBBCUWHCNW-ONGXEEELSA-N 0 0 278.327 1.945 20 10 CDCDRN C[C@@H]([NH2+]CC1(CO)CCOCC1)c1ccc(F)cc1[O-] ZINC000186149614 262081916 /nfs/dbraw/zinc/08/19/16/262081916.db2.gz MLSFDMFMUUHGGB-LLVKDONJSA-N 0 0 283.343 1.971 20 10 CDCDRN CNC(=O)CC[N@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000184688067 262292420 /nfs/dbraw/zinc/29/24/20/262292420.db2.gz UBQGKPLMJAOELJ-UHFFFAOYSA-N 0 0 286.759 1.622 20 10 CDCDRN O=C(CNC(=O)C1CCCCC1)NCc1ccccc1O ZINC000299575430 263248069 /nfs/dbraw/zinc/24/80/69/263248069.db2.gz QECVMTYOIKVBLK-UHFFFAOYSA-N 0 0 290.363 1.705 20 10 CDCDRN Cc1nc([C@@H]2COCCN2Cc2ccccc2O)no1 ZINC000369473671 267243661 /nfs/dbraw/zinc/24/36/61/267243661.db2.gz XCBDZPHDENLYII-LBPRGKRZSA-N 0 0 275.308 1.657 20 10 CDCDRN COc1cc(O)c(C[N@@H+]2CC[C@@](O)(C3CC3)C2)cc1OC ZINC000369677486 267259984 /nfs/dbraw/zinc/25/99/84/267259984.db2.gz XJIWEHJIZPUZCP-INIZCTEOSA-N 0 0 293.363 1.756 20 10 CDCDRN COc1ccc(O)c(CN2CCOC[C@H]2c2ncon2)c1 ZINC000369840430 267271739 /nfs/dbraw/zinc/27/17/39/267271739.db2.gz LXZPKYADZJXDDW-LBPRGKRZSA-N 0 0 291.307 1.357 20 10 CDCDRN COc1ccc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c(O)c1 ZINC000373664082 267698464 /nfs/dbraw/zinc/69/84/64/267698464.db2.gz BCWFJWFLDGSUCU-BZPMIXESSA-N 0 0 277.320 1.585 20 10 CDCDRN Cc1ccc(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)c(O)c1O ZINC000182841380 329245387 /nfs/dbraw/zinc/24/53/87/329245387.db2.gz SMGFYVXQNSNZBI-KBPBESRZSA-N 0 0 299.326 1.794 20 10 CDCDRN O=C(/C=C/c1cccnc1)N1CCCn2nccc21 ZINC000491477329 332219088 /nfs/dbraw/zinc/21/90/88/332219088.db2.gz FNLJPEOKWRCPIT-SNAWJCMRSA-N 0 0 254.293 1.728 20 10 CDCDRN Oc1cc2c(cc1CN1CCO[C@H]3CCC[C@H]31)OCO2 ZINC000228966772 333299407 /nfs/dbraw/zinc/29/94/07/333299407.db2.gz GAVQQFZQLGRGJB-YPMHNXCESA-N 0 0 277.320 1.874 20 10 CDCDRN CCOC1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000789969439 1162118413 /nfs/dbraw/zinc/11/84/13/1162118413.db2.gz UKNLYKYIDCHEQK-UHFFFAOYSA-N 0 0 283.299 1.878 20 10 CDCDRN CC(=O)c1cc(F)cc(CN2CCC[C@@H](O)C2)c1O ZINC000050152786 518284423 /nfs/dbraw/zinc/28/44/23/518284423.db2.gz JFUSGVAMBQKXJY-GFCCVEGCSA-N 0 0 267.300 1.691 20 10 CDCDRN CCO[C@@H]1C[C@@H](NC(=O)NCc2ccccc2O)[C@H]1OC ZINC000274953341 520353887 /nfs/dbraw/zinc/35/38/87/520353887.db2.gz QFAOPAKWSIOKBS-MRVWCRGKSA-N 0 0 294.351 1.384 20 10 CDCDRN CCOC(=O)C(C)(C)C(=O)N(C)Cc1ccccc1O ZINC000131130092 520409376 /nfs/dbraw/zinc/40/93/76/520409376.db2.gz CCMUBPNHNNZNSN-UHFFFAOYSA-N 0 0 279.336 1.940 20 10 CDCDRN CCO[C@@H]1C[C@H](NC(=O)c2ccc(C)c(O)c2O)[C@@H]1OC ZINC000275230517 520422670 /nfs/dbraw/zinc/42/26/70/520422670.db2.gz FCIZAKONGVMFPA-WDMOLILDSA-N 0 0 295.335 1.328 20 10 CDCDRN CC1([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCOCC1 ZINC000131117960 520768515 /nfs/dbraw/zinc/76/85/15/520768515.db2.gz QGISWEMMYCXAMD-UHFFFAOYSA-N 0 0 266.297 1.959 20 10 CDCDRN COc1c([O-])c(C[NH2+]C[C@H](C)N(C)C)ccc1[N+](=O)[O-] ZINC000278478650 521880071 /nfs/dbraw/zinc/88/00/71/521880071.db2.gz IVDFIVLAYOLCMI-VIFPVBQESA-N 0 0 283.328 1.349 20 10 CDCDRN COc1c([O-])c(C[NH2+]C[C@@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000278837862 521880438 /nfs/dbraw/zinc/88/04/38/521880438.db2.gz JJGPFIQCVFTLMJ-NSHDSACASA-N 0 0 296.323 1.968 20 10 CDCDRN COCC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278616436 521919224 /nfs/dbraw/zinc/91/92/24/521919224.db2.gz FFZXUBXXDBAOOX-VIFPVBQESA-N 0 0 284.312 1.824 20 10 CDCDRN CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C(C)(C)O ZINC000293028130 522871930 /nfs/dbraw/zinc/87/19/30/522871930.db2.gz PMIVQSJBBFKLBX-GFCCVEGCSA-N 0 0 268.313 1.940 20 10 CDCDRN COC(=O)C[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000121379754 523255937 /nfs/dbraw/zinc/25/59/37/523255937.db2.gz PNZBRLRLHKENBS-LLVKDONJSA-N 0 0 278.352 1.568 20 10 CDCDRN CCc1[nH]ccc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000286740908 523663513 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20 10 CDCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](CCO)C1CC1 ZINC000779533221 696083957 /nfs/dbraw/zinc/08/39/57/696083957.db2.gz HPRNRIAUJUWSLL-DWMUBGRBSA-N 0 0 277.320 1.388 20 10 CDCDRN CCOCCO[C@H](C)C(=O)NCc1ccc(OC)cc1O ZINC000794377105 696121138 /nfs/dbraw/zinc/12/11/38/696121138.db2.gz MHTJEQYMRYJEAM-LLVKDONJSA-N 0 0 297.351 1.459 20 10 CDCDRN Cc1cc(C(=O)NOCCO)c(C)n1-c1ccccn1 ZINC000776582315 696141161 /nfs/dbraw/zinc/14/11/61/696141161.db2.gz RZFWSLCJFLUADB-UHFFFAOYSA-N 0 0 275.308 1.143 20 10 CDCDRN CO[C@@H]([C@@H](C)NC(=O)NCCc1ccc(N)cc1)C1CC1 ZINC000841912557 696164886 /nfs/dbraw/zinc/16/48/86/696164886.db2.gz LROTZBYLPCCHFE-ABAIWWIYSA-N 0 0 291.395 1.924 20 10 CDCDRN Cn1cc2c(n1)CCC[C@@H]2NC(=O)C1=CC(=O)CS1 ZINC000802662381 696172788 /nfs/dbraw/zinc/17/27/88/696172788.db2.gz UBOWIKXZOSAJSU-JTQLQIEISA-N 0 0 277.349 1.995 20 10 CDCDRN Nc1ccc(CCNC(=O)N2CCOC[C@@H]2C2CC2)cc1 ZINC000841960479 696203247 /nfs/dbraw/zinc/20/32/47/696203247.db2.gz RPFHQSMFSQYOJE-OAHLLOKOSA-N 0 0 289.379 1.632 20 10 CDCDRN O=C(NCCOc1cccnc1)c1cccc(O)c1O ZINC000790719290 696220634 /nfs/dbraw/zinc/22/06/34/696220634.db2.gz ZMCIDCPVGOPCBK-UHFFFAOYSA-N 0 0 274.276 1.302 20 10 CDCDRN CCCOc1ccc(N2C[C@H](O)C[C@@H]2CO)c(F)c1 ZINC001170289032 1162332827 /nfs/dbraw/zinc/33/28/27/1162332827.db2.gz FUYISYSAOANXCP-GHMZBOCLSA-N 0 0 269.316 1.546 20 10 CDCDRN Nc1cncc(NCC(=O)c2ccc(O)c(O)c2)c1 ZINC001170315075 1162334859 /nfs/dbraw/zinc/33/48/59/1162334859.db2.gz PCCPFGRBWZVYNO-UHFFFAOYSA-N 0 0 259.265 1.370 20 10 CDCDRN COc1ccc(CNC(=O)NC[C@H](OC)C(C)C)c(O)c1 ZINC000792989258 1162385034 /nfs/dbraw/zinc/38/50/34/1162385034.db2.gz INOUYDHIDQGVBT-AWEZNQCLSA-N 0 0 296.367 1.871 20 10 CDCDRN COc1ccc(CNC(=O)NC2CC(F)(F)C2)c(O)c1 ZINC000793081619 1162390215 /nfs/dbraw/zinc/39/02/15/1162390215.db2.gz GQIVRHXKQFBIHE-UHFFFAOYSA-N 0 0 286.278 1.998 20 10 CDCDRN CCOc1ccc(CN(C)[C@H](C)C(=O)OC)c(O)c1 ZINC000793324938 1162412949 /nfs/dbraw/zinc/41/29/49/1162412949.db2.gz ONQRRBGSWZMDMQ-SNVBAGLBSA-N 0 0 267.325 1.784 20 10 CDCDRN Cc1cc(N(C)C)ccc1CNC(=O)Cc1cncn1C ZINC000806868133 1162713956 /nfs/dbraw/zinc/71/39/56/1162713956.db2.gz DJDTXLIZPSEEPG-UHFFFAOYSA-N 0 0 286.379 1.653 20 10 CDCDRN C[C@H]([NH2+][C@@H](CCO)C1CC1)c1cc(C(=O)[O-])ccc1O ZINC001604326893 1163151340 /nfs/dbraw/zinc/15/13/40/1163151340.db2.gz UMGCTJSCLGGMHL-ZANVPECISA-N 0 0 279.336 1.902 20 10 CDCDRN COc1ccc2c(c1)CCCN2C[C@@H]1CCS(=O)(=O)C1 ZINC000789284553 1162082105 /nfs/dbraw/zinc/08/21/05/1162082105.db2.gz KWAJLOTTXKOVCK-LBPRGKRZSA-N 0 0 295.404 1.883 20 10 CDCDRN C[C@@](O)(CNC(=O)c1c(F)ccc(O)c1O)c1ccco1 ZINC000789987037 1162118973 /nfs/dbraw/zinc/11/89/73/1162118973.db2.gz PSJPKQPAWLZDDO-CQSZACIVSA-N 0 0 295.266 1.467 20 10 CDCDRN CN(C)c1ccc(CNc2ncccc2-c2nn[nH]n2)cc1 ZINC001604704231 1163289963 /nfs/dbraw/zinc/28/99/63/1163289963.db2.gz IJXPQAMAANJMKE-UHFFFAOYSA-N 0 0 295.350 1.940 20 10 CDCDRN Cc1cc(-c2nn[nH]n2)nc(N[C@@H](C)c2ccccc2O)n1 ZINC001605583894 1163615973 /nfs/dbraw/zinc/61/59/73/1163615973.db2.gz YJGSGBARCAEKAQ-VIFPVBQESA-N 0 0 297.322 1.844 20 10 CDCDRN Cn1cnc2c1ccnc2NCc1ccc(O)c(O)c1 ZINC001158994158 1163914412 /nfs/dbraw/zinc/91/44/12/1163914412.db2.gz FEWRUVBLONGLMQ-UHFFFAOYSA-N 0 0 270.292 1.992 20 10 CDCDRN COc1ccc(N2CC[C@H](CN3C(=O)CNC3=O)C2)cc1 ZINC000819176636 1164197708 /nfs/dbraw/zinc/19/77/08/1164197708.db2.gz LSOZNUIPKCMUKC-NSHDSACASA-N 0 0 289.335 1.073 20 10 CDCDRN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCc2cccnc21 ZINC000819906945 1164204093 /nfs/dbraw/zinc/20/40/93/1164204093.db2.gz KROADYZQBHFFIX-CYBMUJFWSA-N 0 0 298.342 1.882 20 10 CDCDRN CC[C@H](C(=O)NCc1cc(C)ccc1O)[C@H](C)O ZINC000863937142 1164496317 /nfs/dbraw/zinc/49/63/17/1164496317.db2.gz LTZAIGIYSZBQOY-JQWIXIFHSA-N 0 0 251.326 1.724 20 10 CDCDRN CCCCN(Cc1ccccc1O)C(=O)Cc1nnc[nH]1 ZINC000868110081 1164910500 /nfs/dbraw/zinc/91/05/00/1164910500.db2.gz RYTZTHUDWYTDDG-UHFFFAOYSA-N 0 0 288.351 1.882 20 10 CDCDRN CNC(=O)CCCCC(=O)N(C)c1ccc(N)cc1 ZINC000877075240 1165970929 /nfs/dbraw/zinc/97/09/29/1165970929.db2.gz BCELVMCJFNRXNS-UHFFFAOYSA-N 0 0 263.341 1.538 20 10 CDCDRN Cc1ccc(C[N@@H+]2CC[S@@](=O)C[C@H](C)C2)c(O)c1 ZINC000877477681 1166044318 /nfs/dbraw/zinc/04/43/18/1166044318.db2.gz HJPYEXJJMHVSPH-KZULUSFZSA-N 0 0 267.394 1.901 20 10 CDCDRN COCCOC(=O)NCc1ccc(OC)cc1O ZINC000885162699 1166516177 /nfs/dbraw/zinc/51/61/77/1166516177.db2.gz RRWXNTWASTVCQG-UHFFFAOYSA-N 0 0 255.270 1.273 20 10 CDCDRN COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)N1Cc1cc(OC)ccc1O ZINC001203683872 1167315400 /nfs/dbraw/zinc/31/54/00/1167315400.db2.gz HEHGOTSIZFXUCH-IFUGULHKSA-N 0 0 291.347 1.927 20 10 CDCDRN C[C@H]([NH3+])C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001574104630 1170880908 /nfs/dbraw/zinc/88/09/08/1170880908.db2.gz QZNHKTAXKPFCKY-LBPRGKRZSA-N 0 0 261.369 1.592 20 10 CDCDRN CC1(C)COC(=O)[C@H]1NC(=O)Nc1ccc(N)cc1 ZINC001576481889 1171434319 /nfs/dbraw/zinc/43/43/19/1171434319.db2.gz GVQIQKYTWKATGI-SNVBAGLBSA-N 0 0 263.297 1.342 20 10 CDCDRN Cn1ncc([N+](=O)[O-])c1NC(=O)Cc1ccc(N)cc1 ZINC001580008880 1172323356 /nfs/dbraw/zinc/32/33/56/1172323356.db2.gz DYZXITFNJGHXEM-UHFFFAOYSA-N 0 0 275.268 1.092 20 10 CDCDRN Nc1ccc(CC(=O)N2CC[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC001580443072 1172437605 /nfs/dbraw/zinc/43/76/05/1172437605.db2.gz OQMIDGKUSKJBTR-NWDGAFQWSA-N 0 0 266.291 1.925 20 10 CDCDRN Cc1nc(-c2nn[nH]n2)cc(N(C)Cc2ccccc2O)n1 ZINC001592338616 1173858545 /nfs/dbraw/zinc/85/85/45/1173858545.db2.gz KBABDEYNFRMGIL-UHFFFAOYSA-N 0 0 297.322 1.307 20 10 CDCDRN Cc1nc(N2Cc3cccc(O)c3C2)ccc1-c1nn[nH]n1 ZINC001592374245 1173871102 /nfs/dbraw/zinc/87/11/02/1173871102.db2.gz MMJBNUJAGFQSJH-UHFFFAOYSA-N 0 0 294.318 1.796 20 10 CDCDRN CC[C@@H]([NH2+]CCOC)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001604052960 1175734971 /nfs/dbraw/zinc/73/49/71/1175734971.db2.gz ADXZAULXJDLGGT-LLVKDONJSA-N 0 0 277.328 1.259 20 10 CDCDRN COC[C@H](C)[C@H](C)C(=O)NCc1ccc(O)c(O)c1 ZINC000813491432 1163899222 /nfs/dbraw/zinc/89/92/22/1163899222.db2.gz XMUVMMCAYVKKPC-UWVGGRQHSA-N 0 0 267.325 1.633 20 10 CDCDRN CN(Cc1nnn(CC(F)(F)F)n1)c1ccc(N)cc1 ZINC000863558301 724403051 /nfs/dbraw/zinc/40/30/51/724403051.db2.gz DNDJZQQQNXBMOJ-UHFFFAOYSA-N 0 0 286.261 1.454 20 10 CDCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCO[C@H]2CCOC2)c1 ZINC000922939423 724405945 /nfs/dbraw/zinc/40/59/45/724405945.db2.gz OOJYACZKTLASNB-LBPRGKRZSA-N 0 0 282.296 1.196 20 10 CDCDRN COCCCCN(C)C(=O)c1c(F)ccc(O)c1O ZINC000842276930 724416156 /nfs/dbraw/zinc/41/61/56/724416156.db2.gz AEGHREBHFGSNBO-UHFFFAOYSA-N 0 0 271.288 1.736 20 10 CDCDRN COC(=O)CCC(C)(C)NC(=O)Cc1ccc(N)cc1 ZINC000843440032 724428045 /nfs/dbraw/zinc/42/80/45/724428045.db2.gz XFKUOFJOLGMXCD-UHFFFAOYSA-N 0 0 278.352 1.659 20 10 CDCDRN O=C(NCCc1ccc(O)c(O)c1)c1cc(F)c[nH]1 ZINC000815833750 724432444 /nfs/dbraw/zinc/43/24/44/724432444.db2.gz BVEXSHFLVOFMGG-UHFFFAOYSA-N 0 0 264.256 1.538 20 10 CDCDRN Cc1cnc(CNC(=O)c2ccc(C)c(O)c2O)o1 ZINC000780956602 723694693 /nfs/dbraw/zinc/69/46/93/723694693.db2.gz MEPAHADFGPTFRD-UHFFFAOYSA-N 0 0 262.265 1.633 20 10 CDCDRN COC(=O)N1CC([NH2+][C@H](C)c2ccc(F)cc2[O-])C1 ZINC000186137313 723716129 /nfs/dbraw/zinc/71/61/29/723716129.db2.gz BPYHTLQFKBUEHL-MRVPVSSYSA-N 0 0 268.288 1.633 20 10 CDCDRN Cc1cc(CN[C@@]2(C)CCOC2=O)ccc1N(C)C ZINC000815119480 723705469 /nfs/dbraw/zinc/70/54/69/723705469.db2.gz ZLPJFDOXSTXLFR-HNNXBMFYSA-N 0 0 262.353 1.856 20 10 CDCDRN CCOc1ccccc1NC[C@H](O)CO[C@@H](C)COC ZINC000233774926 723706384 /nfs/dbraw/zinc/70/63/84/723706384.db2.gz CWCLTNOOSWKHNU-STQMWFEESA-N 0 0 283.368 1.910 20 10 CDCDRN CC[C@@](C)(O)CNC(=O)NCCc1ccc(N)cc1 ZINC000841958307 723711052 /nfs/dbraw/zinc/71/10/52/723711052.db2.gz YWKHEORBPQVEGN-CQSZACIVSA-N 0 0 265.357 1.272 20 10 CDCDRN COc1ccc(O)c(CNC(=O)CCOCC(F)F)c1 ZINC000189554541 723713301 /nfs/dbraw/zinc/71/33/01/723713301.db2.gz GLHJQEYIPGARRB-UHFFFAOYSA-N 0 0 289.278 1.689 20 10 CDCDRN COc1ccc(N2CC[C@H](CNC(=O)N3CCC3)C2)cc1 ZINC000823733880 723714518 /nfs/dbraw/zinc/71/45/18/723714518.db2.gz USBZSXAKGSZLQS-CYBMUJFWSA-N 0 0 289.379 1.937 20 10 CDCDRN COc1cc(C(=O)NCc2ccccc2O)nn1C ZINC000381815116 723738052 /nfs/dbraw/zinc/73/80/52/723738052.db2.gz MPNVSVZMQFCKLA-UHFFFAOYSA-N 0 0 261.281 1.064 20 10 CDCDRN Cc1ccc(O)c(CNC(=O)C(=O)N2CCC(C)CC2)c1 ZINC000862757356 723735853 /nfs/dbraw/zinc/73/58/53/723735853.db2.gz QQZKDQRWADJJHZ-UHFFFAOYSA-N 0 0 290.363 1.575 20 10 CDCDRN CCCNS(=O)(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000813673410 723736062 /nfs/dbraw/zinc/73/60/62/723736062.db2.gz SFWNQFAFMZQMBA-SECBINFHSA-N 0 0 288.369 1.296 20 10 CDCDRN Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccccc1O ZINC000133936114 723742350 /nfs/dbraw/zinc/74/23/50/723742350.db2.gz UPGCWBXYODIPAD-UHFFFAOYSA-N 0 0 275.264 1.569 20 10 CDCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCn2ccnc2C1 ZINC000778929903 723742618 /nfs/dbraw/zinc/74/26/18/723742618.db2.gz OIMRCSQFZJTUJY-LLVKDONJSA-N 0 0 287.319 1.173 20 10 CDCDRN Cc1ccc(C[NH+]2CCN([C@H]3CCOC3)CC2)c(O)c1 ZINC000877627104 723755259 /nfs/dbraw/zinc/75/52/59/723755259.db2.gz JKAZBVJGZUMEQO-HNNXBMFYSA-N 0 0 276.380 1.607 20 10 CDCDRN C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C1(CO)CC1 ZINC000850362123 723749789 /nfs/dbraw/zinc/74/97/89/723749789.db2.gz ZHOFSERZDUBCIP-VIFPVBQESA-N 0 0 266.297 1.551 20 10 CDCDRN O=C(CN1CCCCC1=O)NCc1cc(Cl)ccc1O ZINC000846472928 723751996 /nfs/dbraw/zinc/75/19/96/723751996.db2.gz NXWFVPIJPHGQBS-UHFFFAOYSA-N 0 0 296.754 1.674 20 10 CDCDRN CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)Nc1ccc(N)cc1 ZINC000841297197 723766180 /nfs/dbraw/zinc/76/61/80/723766180.db2.gz NHIOEYCXVCDVDI-VHSXEESVSA-N 0 0 279.340 1.978 20 10 CDCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnn(C)c1 ZINC000808094314 723789323 /nfs/dbraw/zinc/78/93/23/723789323.db2.gz JNYIKNJIZIWUKF-UHFFFAOYSA-N 0 0 280.324 1.541 20 10 CDCDRN C[NH+]1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775633799 723790193 /nfs/dbraw/zinc/79/01/93/723790193.db2.gz KPRQJDYYGNRCGG-UHFFFAOYSA-N 0 0 258.724 1.932 20 10 CDCDRN C[C@H](Sc1nccs1)C(=O)NC[C@@H]1CCCO1 ZINC000048874453 723804885 /nfs/dbraw/zinc/80/48/85/723804885.db2.gz WMWBVFMFZZYTMW-IUCAKERBSA-N 0 0 272.395 1.919 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)Nc1ccn(C)n1 ZINC000107056198 723807190 /nfs/dbraw/zinc/80/71/90/723807190.db2.gz AKXJZCGCLNVRAV-UHFFFAOYSA-N 0 0 260.297 1.790 20 10 CDCDRN CO[C@H]1COCC[C@H]1CNC(=O)NCc1ccccc1O ZINC000836573892 723811425 /nfs/dbraw/zinc/81/14/25/723811425.db2.gz KDAUECXPMFBQTC-JSGCOSHPSA-N 0 0 294.351 1.243 20 10 CDCDRN COc1cc(C)cc(CN2CC[C@@H](S(C)(=O)=O)C2)c1O ZINC000799948854 723811446 /nfs/dbraw/zinc/81/14/46/723811446.db2.gz YLLQKQFQIXCGNC-GFCCVEGCSA-N 0 0 299.392 1.328 20 10 CDCDRN COc1c([O-])c(C[NH2+]C[C@@]2(C)CCOC2)ccc1[N+](=O)[O-] ZINC000775016856 723851112 /nfs/dbraw/zinc/85/11/12/723851112.db2.gz ZPDHHSVOCVVKBI-CQSZACIVSA-N 0 0 296.323 1.825 20 10 CDCDRN COc1cc(C(=O)NCc2ccc(N(C)C)cc2)on1 ZINC000183399264 723852779 /nfs/dbraw/zinc/85/27/79/723852779.db2.gz LNAYRIWSAZTZAG-UHFFFAOYSA-N 0 0 275.308 1.679 20 10 CDCDRN Cn1cc2c(n1)CCC[C@H]2C(=O)NCc1ccccc1O ZINC000798980469 723893318 /nfs/dbraw/zinc/89/33/18/723893318.db2.gz QMJNJRQVCUVRBI-GFCCVEGCSA-N 0 0 285.347 1.862 20 10 CDCDRN 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1.674 20 10 CDCDRN COC[C@@H](CO)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000794835406 726179686 /nfs/dbraw/zinc/17/96/86/726179686.db2.gz JSRQUXKSEQMLJJ-VXNVDRBHSA-N 0 0 261.268 1.328 20 10 CDCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](OC)C1CC1 ZINC000935945702 726187084 /nfs/dbraw/zinc/18/70/84/726187084.db2.gz HKIMZEXFYPULBK-AWEZNQCLSA-N 0 0 284.352 1.919 20 10 CDCDRN COc1ccc(N(C)C[C@@H](O)COC2CCOCC2)cc1 ZINC000844353162 726202016 /nfs/dbraw/zinc/20/20/16/726202016.db2.gz PQFSDPGOQITBSB-CQSZACIVSA-N 0 0 295.379 1.688 20 10 CDCDRN C[C@@H](OC[C@@H]1CCCO1)C(=O)N(C)c1ccc(N)cc1 ZINC000877078423 726202971 /nfs/dbraw/zinc/20/29/71/726202971.db2.gz PJWJEWSDWPRUCL-RISCZKNCSA-N 0 0 278.352 1.816 20 10 CDCDRN C[C@@H]1CC[C@@H](CNC(=O)NCCc2ccc(N)cc2)O1 ZINC000841915164 726220754 /nfs/dbraw/zinc/22/07/54/726220754.db2.gz MTPYIOSXHNILMM-RISCZKNCSA-N 0 0 277.368 1.678 20 10 CDCDRN O=C(Cc1ccncc1)NCCc1ccc(O)c(O)c1 ZINC000779675728 726229956 /nfs/dbraw/zinc/22/99/56/726229956.db2.gz HIFOTKOLFUBDNJ-UHFFFAOYSA-N 0 0 272.304 1.394 20 10 CDCDRN CO[C@H]1CCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841956692 726243144 /nfs/dbraw/zinc/24/31/44/726243144.db2.gz AYLXMIUFRCTKII-ZDUSSCGKSA-N 0 0 263.341 1.242 20 10 CDCDRN O=C(CCc1nccs1)NCc1ccc(O)c(O)c1 ZINC000778921965 726254471 /nfs/dbraw/zinc/25/44/71/726254471.db2.gz BUACVCAISWNTSQ-UHFFFAOYSA-N 0 0 278.333 1.803 20 10 CDCDRN O=C(NCc1ccc(O)c(O)c1)C1SCCCS1 ZINC000841407358 726261702 /nfs/dbraw/zinc/26/17/02/726261702.db2.gz YNZPFEJPAXRINJ-UHFFFAOYSA-N 0 0 285.390 1.910 20 10 CDCDRN CCCS(=O)(=O)Cc1noc(Cc2ccc(N)cc2)n1 ZINC000843218658 726267849 /nfs/dbraw/zinc/26/78/49/726267849.db2.gz AUEXULZIOLCCLA-UHFFFAOYSA-N 0 0 295.364 1.567 20 10 CDCDRN C[C@H]1C[C@H](C)CN(C(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000841010530 726281738 /nfs/dbraw/zinc/28/17/38/726281738.db2.gz PEKGAFWASNMWTN-QWRGUYRKSA-N 0 0 275.352 1.712 20 10 CDCDRN O=C(NCc1ccccc1O)c1n[nH]c(=O)c2ccccc21 ZINC000318835224 726323702 /nfs/dbraw/zinc/32/37/02/726323702.db2.gz XOQLXBWHVBTBIN-UHFFFAOYSA-N 0 0 295.298 1.559 20 10 CDCDRN COC(=O)[C@@]1(F)CCN(Cc2cc(OC)c(C)cc2O)C1 ZINC000160338704 726355476 /nfs/dbraw/zinc/35/54/76/726355476.db2.gz NRQGTTBJXKPFDQ-OAHLLOKOSA-N 0 0 297.326 1.796 20 10 CDCDRN COc1ccc(CNC(=O)NC[C@H]2CCCO2)c(O)c1 ZINC000792764197 726356400 /nfs/dbraw/zinc/35/64/00/726356400.db2.gz VXVGCPKQXVJMIQ-GFCCVEGCSA-N 0 0 280.324 1.379 20 10 CDCDRN COC/C=C\C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000866764758 726369262 /nfs/dbraw/zinc/36/92/62/726369262.db2.gz ORXSSHVHWYRDDW-UMCURTJPSA-N 0 0 265.309 1.781 20 10 CDCDRN O=C(NCCCn1ccnc1)c1cccc(O)c1O ZINC000126242977 726371109 /nfs/dbraw/zinc/37/11/09/726371109.db2.gz COFAGDWSQHXZSJ-UHFFFAOYSA-N 0 0 261.281 1.114 20 10 CDCDRN CO[C@H]1CCC[C@@H]1CNC(=O)c1c(F)ccc(O)c1O ZINC000827821768 726374648 /nfs/dbraw/zinc/37/46/48/726374648.db2.gz VCCIRLGYSBZVIO-KCJUWKMLSA-N 0 0 283.299 1.782 20 10 CDCDRN COc1cc(C)cc([C@@H]2NC(=O)CN2CC(C)C)c1O ZINC000887326498 726802634 /nfs/dbraw/zinc/80/26/34/726802634.db2.gz DOYLJCPRDUIDEU-OAHLLOKOSA-N 0 0 278.352 1.796 20 10 CDCDRN C[C@@]1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCCOC1 ZINC000779546640 726807223 /nfs/dbraw/zinc/80/72/23/726807223.db2.gz ZLBGXKNBJUQUCK-CSPWOOARSA-N 0 0 277.320 1.796 20 10 CDCDRN C[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1c([O-])cccc1F ZINC000886555339 726822868 /nfs/dbraw/zinc/82/28/68/726822868.db2.gz PVQDDSZDQQUZJT-IUCAKERBSA-N 0 0 275.345 1.615 20 10 CDCDRN O=C(NCC1(CO)CCCC1)c1c(F)ccc(O)c1O ZINC000828748213 726833499 /nfs/dbraw/zinc/83/34/99/726833499.db2.gz CUTSBENAHBDGDB-UHFFFAOYSA-N 0 0 283.299 1.519 20 10 CDCDRN COc1ccc(O)c(CNC(=O)c2c(C)ccn2C)c1 ZINC000190200305 726845493 /nfs/dbraw/zinc/84/54/93/726845493.db2.gz VLPISCIGMBANAI-UHFFFAOYSA-N 0 0 274.320 1.978 20 10 CDCDRN CC[C@](NC(=O)C1=CC(=O)CS1)(C(N)=O)C(C)C ZINC000831957068 726846969 /nfs/dbraw/zinc/84/69/69/726846969.db2.gz NCTNTEUJWSQLQR-GFCCVEGCSA-N 0 0 270.354 1.474 20 10 CDCDRN COc1ccc(O)c(CNC(=O)CCc2cnn(C)c2)c1 ZINC000114542507 726851299 /nfs/dbraw/zinc/85/12/99/726851299.db2.gz AMMBKNPTNQZORD-UHFFFAOYSA-N 0 0 289.335 1.383 20 10 CDCDRN CCC(O)(CC)CNC(=O)Nc1ccc(N)cc1 ZINC000841301233 726854994 /nfs/dbraw/zinc/85/49/94/726854994.db2.gz GTPWGNMDEPWBMG-UHFFFAOYSA-N 0 0 251.330 1.941 20 10 CDCDRN COc1ccc(O)c(C[NH2+][C@H]2CCN(C(C)(C)C)C2=O)c1 ZINC000843414936 726856708 /nfs/dbraw/zinc/85/67/08/726856708.db2.gz HAAIMPWDSVFNCL-ZDUSSCGKSA-N 0 0 292.379 1.890 20 10 CDCDRN COCCC(=O)NCCCSc1nccs1 ZINC000074255494 726857503 /nfs/dbraw/zinc/85/75/03/726857503.db2.gz FIHOFSRYVXWUKQ-UHFFFAOYSA-N 0 0 260.384 1.778 20 10 CDCDRN CN(C)c1cc(F)c(CNC2(C)COC2)cc1F ZINC000864050129 726860159 /nfs/dbraw/zinc/86/01/59/726860159.db2.gz VSTPRZULDPYFER-UHFFFAOYSA-N 0 0 256.296 1.909 20 10 CDCDRN O=C(NCCc1ccc(O)c(O)c1)c1cncc(O)c1 ZINC000122273805 726863900 /nfs/dbraw/zinc/86/39/00/726863900.db2.gz PLPREMKUOKNNKT-UHFFFAOYSA-N 0 0 274.276 1.171 20 10 CDCDRN CC(C)[C@H](CO)CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000805308991 726885694 /nfs/dbraw/zinc/88/56/94/726885694.db2.gz COIWTHSLKKAFII-RNZFLTOJSA-N 0 0 279.336 1.492 20 10 CDCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2C[C@@H](O)C2)c1 ZINC000821065097 726887764 /nfs/dbraw/zinc/88/77/64/726887764.db2.gz KWOXABSEQFYKOJ-BBBLOLIVSA-N 0 0 265.309 1.349 20 10 CDCDRN Cc1cc(CNC(=O)C2=CC(=O)CS2)n(C)n1 ZINC000807509203 726891161 /nfs/dbraw/zinc/89/11/61/726891161.db2.gz RWVYYJDELWHGPC-UHFFFAOYSA-N 0 0 251.311 1.426 20 10 CDCDRN Cn1nc(C(=O)NCCc2ccc(N)cc2)cc1C1CC1 ZINC000818546136 726894139 /nfs/dbraw/zinc/89/41/39/726894139.db2.gz ZTPIJUSHMZIELZ-UHFFFAOYSA-N 0 0 284.363 1.852 20 10 CDCDRN Cc1ccc(O)c(CNC(=O)CN2CCCCCC2=O)c1 ZINC000862761122 726910173 /nfs/dbraw/zinc/91/01/73/726910173.db2.gz FIUAPROLFFOGMP-UHFFFAOYSA-N 0 0 290.363 1.719 20 10 CDCDRN COc1ccc(CNC(=O)C2CSC2)c(O)c1 ZINC000867956078 726914563 /nfs/dbraw/zinc/91/45/63/726914563.db2.gz MJIHTMSIJRODMC-UHFFFAOYSA-N 0 0 253.323 1.380 20 10 CDCDRN C[C@@H](NC(=O)NC1COC(C)(C)OC1)c1ccccc1O ZINC000875489073 726923635 /nfs/dbraw/zinc/92/36/35/726923635.db2.gz HDOKEDPKPXMTNA-SNVBAGLBSA-N 0 0 294.351 1.904 20 10 CDCDRN C=CC(=O)N(C)CC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000860242421 726940296 /nfs/dbraw/zinc/94/02/96/726940296.db2.gz QTGNTAQVMZNUJA-JTQLQIEISA-N 0 0 292.335 1.222 20 10 CDCDRN C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000179863160 726983266 /nfs/dbraw/zinc/98/32/66/726983266.db2.gz WEXXYABQIHURMB-CQSZACIVSA-N 0 0 276.380 1.744 20 10 CDCDRN O=C(NCc1ccccc1O)c1cc([N+](=O)[O-])c[nH]1 ZINC000133745505 726986884 /nfs/dbraw/zinc/98/68/84/726986884.db2.gz PYXKIQPABSELCT-UHFFFAOYSA-N 0 0 261.237 1.559 20 10 CDCDRN CC(C)C[C@H](C(N)=O)C(=O)NCc1cc(Cl)ccc1O ZINC000846476615 726993669 /nfs/dbraw/zinc/99/36/69/726993669.db2.gz NTBVIBBZSZNNHF-LLVKDONJSA-N 0 0 298.770 1.809 20 10 CDCDRN COCCCOCCC(=O)NCc1ccc(O)c(O)c1 ZINC000830559269 727000349 /nfs/dbraw/zinc/00/03/49/727000349.db2.gz LHMFTULEIVCHBY-UHFFFAOYSA-N 0 0 283.324 1.157 20 10 CDCDRN C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N)cc2)CCS1 ZINC000841118168 727003033 /nfs/dbraw/zinc/00/30/33/727003033.db2.gz NDXBAHDNNPFJSG-SNVBAGLBSA-N 0 0 293.392 1.561 20 10 CDCDRN C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1c([O-])cccc1F ZINC000886550348 727004371 /nfs/dbraw/zinc/00/43/71/727004371.db2.gz XWBQBDLFWPXUQB-VHSXEESVSA-N 0 0 278.327 1.945 20 10 CDCDRN CCOC(=O)CCN(C)C(=O)c1c(F)ccc(O)c1O ZINC000825554656 727005153 /nfs/dbraw/zinc/00/51/53/727005153.db2.gz UALCHPQSYBWUIO-UHFFFAOYSA-N 0 0 285.271 1.262 20 10 CDCDRN CC1=NO[C@@H](C(=O)NCCCSc2nccs2)C1 ZINC000827474782 727018339 /nfs/dbraw/zinc/01/83/39/727018339.db2.gz MUQOXIOOWMRBPP-SECBINFHSA-N 0 0 285.394 1.906 20 10 CDCDRN O=C(NCCCSc1nccs1)C(=O)NC1CCC1 ZINC000788462968 727018897 /nfs/dbraw/zinc/01/88/97/727018897.db2.gz QLTSWUSUGVQEGQ-UHFFFAOYSA-N 0 0 299.421 1.410 20 10 CDCDRN CCOCCCn1cc(COc2ccc(N)cc2)nn1 ZINC000881306521 727026342 /nfs/dbraw/zinc/02/63/42/727026342.db2.gz JUYQOFZOVMTYLM-UHFFFAOYSA-N 0 0 276.340 1.866 20 10 CDCDRN COc1cc(Cl)cc(CN2CCn3nncc3C2)c1O ZINC000848922264 727034657 /nfs/dbraw/zinc/03/46/57/727034657.db2.gz PBDKRYCUYIKLDL-UHFFFAOYSA-N 0 0 294.742 1.662 20 10 CDCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCCO[C@H]1CCOC1 ZINC000885725197 727039180 /nfs/dbraw/zinc/03/91/80/727039180.db2.gz UFLWBZPTMLBIFH-KMOQFTEPSA-N 0 0 293.319 1.033 20 10 CDCDRN CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2CO)c1O ZINC000168287797 727041256 /nfs/dbraw/zinc/04/12/56/727041256.db2.gz CJSYKFNLFGHFPM-GFCCVEGCSA-N 0 0 299.754 1.441 20 10 CDCDRN CO[C@@H]1CCC[C@H]1NC(=O)c1ccc(C)c(O)c1O ZINC000836848112 727044327 /nfs/dbraw/zinc/04/43/27/727044327.db2.gz FSHFNSSQZNFYEH-GHMZBOCLSA-N 0 0 265.309 1.704 20 10 CDCDRN CN(C)c1ccc(CNC(=O)c2nc(C3CC3)nn2C)cc1 ZINC000836184383 727046312 /nfs/dbraw/zinc/04/63/12/727046312.db2.gz YULWBHIXCCKQME-UHFFFAOYSA-N 0 0 299.378 1.689 20 10 CDCDRN CN(C)c1ccc(CNC(=O)c2cc(C=O)cn2C)cc1 ZINC000822226770 727048935 /nfs/dbraw/zinc/04/89/35/727048935.db2.gz HHJRIIVQYSVJMN-UHFFFAOYSA-N 0 0 285.347 1.834 20 10 CDCDRN Cc1ccc(C(=O)NC(C)(C)c2cnn(C)c2)c(O)c1O ZINC000780954428 727058745 /nfs/dbraw/zinc/05/87/45/727058745.db2.gz PTBNXINVOJNVQU-UHFFFAOYSA-N 0 0 289.335 1.805 20 10 CDCDRN 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O=C(NCc1ccc(O)cc1O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000910957010 629118091 /nfs/dbraw/zinc/11/80/91/629118091.db2.gz NGSMPUIZOBNLBJ-VHRBIJSZSA-N 0 0 277.320 1.529 20 10 CDCDRN O=C(NCc1ccc(O)cc1O)C1(Br)CC1 ZINC000910943341 629124674 /nfs/dbraw/zinc/12/46/74/629124674.db2.gz AJUXHLTZHVJYMZ-UHFFFAOYSA-N 0 0 286.125 1.642 20 10 CDCDRN O=C(NCc1ccc(O)cc1O)[C@H]1CCc2nccn2C1 ZINC000910945021 629125925 /nfs/dbraw/zinc/12/59/25/629125925.db2.gz SLRAELPBLBLHRH-NSHDSACASA-N 0 0 287.319 1.173 20 10 CDCDRN Cc1cc(CNC(=O)CCC(N)=O)c(C)n1-c1ccccc1 ZINC000913166741 630387531 /nfs/dbraw/zinc/38/75/31/630387531.db2.gz HRENKPBMMZBEHR-UHFFFAOYSA-N 0 0 299.374 1.976 20 10 CDCDRN COC(=O)c1cnoc1COC(=O)c1cccc(O)c1O ZINC000803440589 630585384 /nfs/dbraw/zinc/58/53/84/630585384.db2.gz PFMHJINTRXKKJD-UHFFFAOYSA-N 0 0 293.231 1.229 20 10 CDCDRN COC[C@H]1C[C@@H](NC(=O)NCc2cccc(OC)c2O)C1 ZINC000889864678 631545914 /nfs/dbraw/zinc/54/59/14/631545914.db2.gz ZJSGDTNRKSUOAG-KLPPZKSPSA-N 0 0 294.351 1.625 20 10 CDCDRN COc1ccc(N(C)C[C@H](O)COC(C)C)cc1OC ZINC000920781319 632834095 /nfs/dbraw/zinc/83/40/95/632834095.db2.gz NMKOWUYNYGIZTH-ZDUSSCGKSA-N 0 0 283.368 1.926 20 10 CDCDRN CNc1ccc(NCC(=O)c2ccc(O)c(O)c2)cn1 ZINC001170315427 1162334975 /nfs/dbraw/zinc/33/49/75/1162334975.db2.gz YERHYUWLAGUZJE-UHFFFAOYSA-N 0 0 273.292 1.829 20 10 CDCDRN COc1ccc(CNC(=O)[C@H]2CCO[C@H]2C)c(O)c1 ZINC000794372581 1162469279 /nfs/dbraw/zinc/46/92/79/1162469279.db2.gz BBHKNYSSEKINIS-CABZTGNLSA-N 0 0 265.309 1.442 20 10 CDCDRN C[C@@H]([NH2+]CCC(C)(C)O)c1cc(C(=O)[O-])ccc1O ZINC001604339406 1163157015 /nfs/dbraw/zinc/15/70/15/1163157015.db2.gz XWKGZEFCEQOHIH-SECBINFHSA-N 0 0 267.325 1.902 20 10 CDCDRN COC/C=C\C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000866764756 1164820426 /nfs/dbraw/zinc/82/04/26/1164820426.db2.gz ORXSSHVHWYRDDW-LWTINBJPSA-N 0 0 265.309 1.781 20 10 CDCDRN C[C@H]([NH2+]CC1(C)OCCO1)c1cc(C(=O)[O-])ccc1O ZINC001609778187 1165077823 /nfs/dbraw/zinc/07/78/23/1165077823.db2.gz MUZNAHZGWBYKBH-VIFPVBQESA-N 0 0 281.308 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/nfs/dbraw/zinc/45/97/12/728459712.db2.gz VWPWVUKGQMBTOJ-OAHLLOKOSA-N 0 0 283.331 1.154 20 10 CDCDRN COC[C@@H](NCc1ccc(N(C)C)cc1)C(=O)OC ZINC000789575489 728492504 /nfs/dbraw/zinc/49/25/04/728492504.db2.gz LZDOPNGBTIBXSO-CYBMUJFWSA-N 0 0 266.341 1.030 20 10 CDCDRN COc1cccc(CNC(=O)CCCCO)c1O ZINC000866764335 728530743 /nfs/dbraw/zinc/53/07/43/728530743.db2.gz SJOSFRGUTBBMAI-UHFFFAOYSA-N 0 0 253.298 1.180 20 10 CDCDRN C[C@H](NC(=O)c1cccc(O)c1O)[C@@H]1CCCOC1 ZINC000389050859 728531353 /nfs/dbraw/zinc/53/13/53/728531353.db2.gz RXRWDWGNGHBUPP-VHSXEESVSA-N 0 0 265.309 1.643 20 10 CDCDRN COCC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844853110 728532569 /nfs/dbraw/zinc/53/25/69/728532569.db2.gz SJTFKDYURQCZCA-UHFFFAOYSA-N 0 0 266.341 1.236 20 10 CDCDRN Nc1ccc(CNC(=O)Cn2cc(C3CC3)cn2)cc1 ZINC000850710719 728542279 /nfs/dbraw/zinc/54/22/79/728542279.db2.gz HCRZPWBZDIQVJL-UHFFFAOYSA-N 0 0 270.336 1.659 20 10 CDCDRN COc1cccc(CNC(=O)[C@@]2(C)CCCCO2)c1O ZINC000837485594 728556447 /nfs/dbraw/zinc/55/64/47/728556447.db2.gz OLWJCBOFPZVWGN-OAHLLOKOSA-N 0 0 279.336 1.976 20 10 CDCDRN CN(C)c1ccc(C[NH2+][C@@]2(C(=O)[O-])CCOC2)cc1 ZINC000789902899 728562345 /nfs/dbraw/zinc/56/23/45/728562345.db2.gz SEIXPKJAFQETIN-AWEZNQCLSA-N 0 0 264.325 1.086 20 10 CDCDRN COc1cccc(O)c1C=C1SC(=S)NC1=O ZINC000812392706 728567137 /nfs/dbraw/zinc/56/71/37/728567137.db2.gz UMUCQDWPERCKAD-WEVVVXLNSA-N 0 0 267.331 1.890 20 10 CDCDRN Cc1noc2ncc(C(=O)NCc3ccc(O)c(O)c3)cc12 ZINC000182544945 728590726 /nfs/dbraw/zinc/59/07/26/728590726.db2.gz SOMQNHOMFNGITG-UHFFFAOYSA-N 0 0 299.286 1.872 20 10 CDCDRN Cc1ccc(C(=O)NCc2cnn(C)c2)c(O)c1O ZINC000179449832 728983601 /nfs/dbraw/zinc/98/36/01/728983601.db2.gz YGUJGXRAWRFJDC-UHFFFAOYSA-N 0 0 261.281 1.070 20 10 CDCDRN COc1ccc(CNC(=O)c2cccc(F)n2)c(O)c1 ZINC000794376944 728998622 /nfs/dbraw/zinc/99/86/22/728998622.db2.gz NEWIUSYZGBPDHR-UHFFFAOYSA-N 0 0 276.267 1.865 20 10 CDCDRN C[C@H](NCc1nnnn1CC1CC1)c1ccccc1O ZINC000784262936 729004214 /nfs/dbraw/zinc/00/42/14/729004214.db2.gz KPENSODACKXSIH-JTQLQIEISA-N 0 0 273.340 1.640 20 10 CDCDRN O=C(c1cccc(O)c1O)N1CC(OC(F)F)C1 ZINC000399989754 729004787 /nfs/dbraw/zinc/00/47/87/729004787.db2.gz OXIHEVHOQAVFDN-UHFFFAOYSA-N 0 0 259.208 1.161 20 10 CDCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccncn1 ZINC000194116081 729026088 /nfs/dbraw/zinc/02/60/88/729026088.db2.gz KGOQYVIGJDKXBH-UHFFFAOYSA-N 0 0 274.280 1.252 20 10 CDCDRN CCOC(=O)[C@H](C(=O)NCc1ccc(O)c(O)c1)C(C)C ZINC000821070610 729048860 /nfs/dbraw/zinc/04/88/60/729048860.db2.gz HWUCIMKHRDIYMO-ZDUSSCGKSA-N 0 0 295.335 1.549 20 10 CDCDRN NC(=O)c1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000159084305 729063437 /nfs/dbraw/zinc/06/34/37/729063437.db2.gz VCDJTWDTXPNTPY-UHFFFAOYSA-N 0 0 286.287 1.127 20 10 CDCDRN COc1ccc(CNC(=O)Cc2ccncc2C)c(O)c1 ZINC000794376050 729096077 /nfs/dbraw/zinc/09/60/77/729096077.db2.gz BAEGMEUCTQGVOS-UHFFFAOYSA-N 0 0 286.331 1.963 20 10 CDCDRN CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883079673 729116257 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ZINC000780566303 729321722 /nfs/dbraw/zinc/32/17/22/729321722.db2.gz QZOHSKCCEHDEIJ-JTQLQIEISA-N 0 0 276.340 1.770 20 10 CDCDRN C[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1c([O-])cccc1F ZINC000886641577 729330145 /nfs/dbraw/zinc/33/01/45/729330145.db2.gz MSRCBLCIINKTGN-TVYUQYBPSA-N 0 0 269.316 1.722 20 10 CDCDRN COc1cccc(CNC(=O)N[C@@H]2C[C@H](C)O[C@@H]2C)c1O ZINC000875988397 729349944 /nfs/dbraw/zinc/34/99/44/729349944.db2.gz GTLRVTQWZJCZBU-HOSYDEDBSA-N 0 0 294.351 1.766 20 10 CDCDRN Nc1ccc(CNC(=O)c2cnn(C3CC3)c2)cc1 ZINC000859593658 729357187 /nfs/dbraw/zinc/35/71/87/729357187.db2.gz HBGOFGDZSDFSON-UHFFFAOYSA-N 0 0 256.309 1.730 20 10 CDCDRN Nc1ccc(CCNC(=O)N2CCC[C@H](CO)CC2)cc1 ZINC000841955687 729364031 /nfs/dbraw/zinc/36/40/31/729364031.db2.gz JXAFVGYCXSVREM-AWEZNQCLSA-N 0 0 291.395 1.615 20 10 CDCDRN CN(C)c1ccc(Cn2cc(CN3CCCC3)nn2)cc1 ZINC000881272035 729374419 /nfs/dbraw/zinc/37/44/19/729374419.db2.gz JRVUUGRYEOQUNO-UHFFFAOYSA-N 0 0 285.395 1.988 20 10 CDCDRN CC[S@@](=O)CC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886526138 729378742 /nfs/dbraw/zinc/37/87/42/729378742.db2.gz FVPBBUPIZSWRNA-HUTHGQBESA-N 0 0 259.346 1.951 20 10 CDCDRN CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)c2ccccc2O)C1 ZINC000827936733 729385804 /nfs/dbraw/zinc/38/58/04/729385804.db2.gz BJQOLOKKRVRQDF-BDJLRTHQSA-N 0 0 290.363 1.828 20 10 CDCDRN CCn1cc(C(=O)NCc2ccc(OC)cc2O)c(C)n1 ZINC000861489554 729387073 /nfs/dbraw/zinc/38/70/73/729387073.db2.gz FSDMKQHVWRWPNL-UHFFFAOYSA-N 0 0 289.335 1.856 20 10 CDCDRN COC(=O)CC(C)(C)NC(=O)C1=CC(=O)CS1 ZINC000828536258 729460871 /nfs/dbraw/zinc/46/08/71/729460871.db2.gz UEVGBTGCNATHMV-UHFFFAOYSA-N 0 0 257.311 1.525 20 10 CDCDRN C[NH+]1CCN(Cc2c(O)cccc2Br)CC1 ZINC000707133824 729529708 /nfs/dbraw/zinc/52/97/08/729529708.db2.gz CLWQQMGHDIGLGI-UHFFFAOYSA-N 0 0 285.185 1.902 20 10 CDCDRN O=C(OCc1cncc(F)c1)c1cccc(O)c1O ZINC000795595761 729495555 /nfs/dbraw/zinc/49/55/55/729495555.db2.gz UGLGNLBQUXAAQR-UHFFFAOYSA-N 0 0 263.224 1.989 20 10 CDCDRN COc1cccc(CNS(=O)(=O)N(C)C(C)C)c1O ZINC000161110466 729519329 /nfs/dbraw/zinc/51/93/29/729519329.db2.gz NHZLKUOOWCTYHP-UHFFFAOYSA-N 0 0 288.369 1.075 20 10 CDCDRN Cn1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000779531103 729523167 /nfs/dbraw/zinc/52/31/67/729523167.db2.gz MQDSJHZFOVAGHD-HWKANZROSA-N 0 0 272.304 1.766 20 10 CDCDRN COC(=O)CN(C(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC000779530500 729535200 /nfs/dbraw/zinc/53/52/00/729535200.db2.gz SICRJNRVXCYWBW-XVNBXDOJSA-N 0 0 291.303 1.275 20 10 CDCDRN Cc1cc(C(=O)N(C)Cc2ccccc2O)ncn1 ZINC000129610980 729544115 /nfs/dbraw/zinc/54/41/15/729544115.db2.gz UUDPWKHATDZOCE-UHFFFAOYSA-N 0 0 257.293 1.763 20 10 CDCDRN O=C1CN(Cc2ccccc2O)C(=O)N1C1CC=CC1 ZINC000819167614 729558145 /nfs/dbraw/zinc/55/81/45/729558145.db2.gz FXBSBJNLDVEZGF-UHFFFAOYSA-N 0 0 272.304 1.875 20 10 CDCDRN COc1ccc(CNC(=O)C[C@@H]2CCCO2)c(O)c1 ZINC000794381900 729564557 /nfs/dbraw/zinc/56/45/57/729564557.db2.gz RIQUIMORTJQFFC-LBPRGKRZSA-N 0 0 265.309 1.586 20 10 CDCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@H](C)O ZINC000840478766 729574850 /nfs/dbraw/zinc/57/48/50/729574850.db2.gz BWOPHADHXHMGOB-STQMWFEESA-N 0 0 293.411 1.672 20 10 CDCDRN Cc1nc([C@H](C)OC(=O)c2cccc(O)c2O)no1 ZINC000811188842 729589891 /nfs/dbraw/zinc/58/98/91/729589891.db2.gz AHCMCYRYTRAWEC-LURJTMIESA-N 0 0 264.237 1.707 20 10 CDCDRN Cn1nc2c(c1C=C1SC(=S)NC1=O)CSCC2 ZINC000887274511 729617533 /nfs/dbraw/zinc/61/75/33/729617533.db2.gz UVLVDDHRJJSRJP-RUDMXATFSA-N 0 0 297.430 1.698 20 10 CDCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2CC[C@H]2C(N)=O)cc1 ZINC000816822572 729621272 /nfs/dbraw/zinc/62/12/72/729621272.db2.gz PICJPMJEFKXRPV-KGLIPLIRSA-N 0 0 289.379 1.223 20 10 CDCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2cccnc2)cc1 ZINC000080147374 729640979 /nfs/dbraw/zinc/64/09/79/729640979.db2.gz JBGVZVAAHOZAIZ-UHFFFAOYSA-N 0 0 298.346 1.403 20 10 CDCDRN Cc1noc(C(=O)NCc2ccc(N3CCCC3)cc2)n1 ZINC000791323383 729689300 /nfs/dbraw/zinc/68/93/00/729689300.db2.gz PUEMAIURKPYMCP-UHFFFAOYSA-N 0 0 286.335 1.908 20 10 CDCDRN COC(=O)C1(C(=O)NCc2cc(C)ccc2O)CC1 ZINC000862757181 729693703 /nfs/dbraw/zinc/69/37/03/729693703.db2.gz KJUCIRVQFBRXDQ-UHFFFAOYSA-N 0 0 263.293 1.270 20 10 CDCDRN Nc1ccc(NC(=O)N2CC(OCC(F)F)C2)cc1 ZINC000707222534 729697494 /nfs/dbraw/zinc/69/74/94/729697494.db2.gz YCTZKXSPAYXAMT-UHFFFAOYSA-N 0 0 271.267 1.767 20 10 CDCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1n[nH]nc1C ZINC000188784096 729711674 /nfs/dbraw/zinc/71/16/74/729711674.db2.gz XGOOGTDXPRVSSO-UHFFFAOYSA-N 0 0 287.367 1.841 20 10 CDCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ncnn2C)c1 ZINC000091185820 729738145 /nfs/dbraw/zinc/73/81/45/729738145.db2.gz SAEVOZNPZCDGFO-MRVPVSSYSA-N 0 0 291.311 1.412 20 10 CDCDRN CN(C)c1ccc(C(=O)NCc2ccccc2O)cn1 ZINC000701184136 729801334 /nfs/dbraw/zinc/80/13/34/729801334.db2.gz OHDRAUILOIAHJH-UHFFFAOYSA-N 0 0 271.320 1.783 20 10 CDCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCNC2=O)c1 ZINC000866762963 729813727 /nfs/dbraw/zinc/81/37/27/729813727.db2.gz ASYPJDZXOFLFQV-GXSJLCMTSA-N 0 0 292.335 1.104 20 10 CDCDRN CC(C)C[C@@H]1CN(C)CCN1C(=O)c1cccc(O)c1O ZINC000886598346 729829894 /nfs/dbraw/zinc/82/98/94/729829894.db2.gz YGDLINWAJQQTNO-GFCCVEGCSA-N 0 0 292.379 1.900 20 10 CDCDRN CCN1CC[C@@H](OC(=O)C2=CC(=O)CS2)C1=O ZINC000849727879 729841735 /nfs/dbraw/zinc/84/17/35/729841735.db2.gz JRLACSBDBACITQ-MRVPVSSYSA-N 0 0 255.295 1.231 20 10 CDCDRN COc1cc(Cl)cc(C[NH2+]C/C=C/CO)c1O ZINC000717524651 729851579 /nfs/dbraw/zinc/85/15/79/729851579.db2.gz HKAHBMNVZMCYQH-NSCUHMNNSA-N 0 0 257.717 1.692 20 10 CDCDRN O=C(NCc1ccccc1O)[C@@H](O)Cc1ccccc1 ZINC000793680734 729856977 /nfs/dbraw/zinc/85/69/77/729856977.db2.gz JRHHIVVHQLFFOU-HNNXBMFYSA-N 0 0 271.316 1.612 20 10 CDCDRN CN(C)c1ccc(CN(C)C(=O)c2cc(N)n(C)n2)cc1 ZINC000884306242 729859952 /nfs/dbraw/zinc/85/99/52/729859952.db2.gz YXKHFJCSYMMBMY-UHFFFAOYSA-N 0 0 287.367 1.341 20 10 CDCDRN O=C(COC(=O)c1cccc(O)c1O)N1CCCCC1 ZINC000776281530 729866630 /nfs/dbraw/zinc/86/66/30/729866630.db2.gz GSDNYYUVNLVKGR-UHFFFAOYSA-N 0 0 279.292 1.267 20 10 CDCDRN COC(=O)c1ccc(C[NH2+]Cc2ccccc2O)[nH]1 ZINC000167060792 729882808 /nfs/dbraw/zinc/88/28/08/729882808.db2.gz NFKHYVVMAJXTAG-UHFFFAOYSA-N 0 0 260.293 1.797 20 10 CDCDRN C[C@H]1COCC[C@@H]1S(=O)(=O)N1Cc2cccc(O)c2C1 ZINC000882481812 729886690 /nfs/dbraw/zinc/88/66/90/729886690.db2.gz KOKJZUIZPCVEQK-HZMBPMFUSA-N 0 0 297.376 1.463 20 10 CDCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CCCN1CCCO ZINC000824563823 729893321 /nfs/dbraw/zinc/89/33/21/729893321.db2.gz DGQBRYOFUCAYQP-ZDUSSCGKSA-N 0 0 298.814 1.982 20 10 CDCDRN Cc1ccc(C(=O)N[C@@H](C)[C@@H](O)C(F)(F)F)c(O)c1O ZINC000819564102 729905186 /nfs/dbraw/zinc/90/51/86/729905186.db2.gz DTVNSWROGRBNAM-QUBYGPBYSA-N 0 0 293.241 1.448 20 10 CDCDRN CON(C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000192370729 729906162 /nfs/dbraw/zinc/90/61/62/729906162.db2.gz XDMFZNBGTGCQOJ-UHFFFAOYSA-N 0 0 295.408 1.943 20 10 CDCDRN C[C@@H]1C[C@H](CO)C[N@H+](Cc2cc(F)ccc2O)C1 ZINC000817412029 729913827 /nfs/dbraw/zinc/91/38/27/729913827.db2.gz BMKWQOQTDDGHHP-MNOVXSKESA-N 0 0 253.317 1.982 20 10 CDCDRN O=C(COC(=O)c1cccc(O)c1O)c1nccs1 ZINC000784796665 729924288 /nfs/dbraw/zinc/92/42/88/729924288.db2.gz BDPPVWGPUXQPBG-UHFFFAOYSA-N 0 0 279.273 1.594 20 10 CDCDRN CCOc1cccc(CN2CC(=O)N(CC3CC3)C2)c1O ZINC000789779343 729940831 /nfs/dbraw/zinc/94/08/31/729940831.db2.gz XLEAQPVUMVLIHY-UHFFFAOYSA-N 0 0 290.363 1.803 20 10 CDCDRN C[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1c([O-])cccc1F ZINC000886605618 729951371 /nfs/dbraw/zinc/95/13/71/729951371.db2.gz VIDICAFNYIGVOX-SDDRHHMPSA-N 0 0 283.343 1.827 20 10 CDCDRN COc1ccc(CNC(=O)c2cccnc2)c(O)c1 ZINC000794378114 729963390 /nfs/dbraw/zinc/96/33/90/729963390.db2.gz COBUPYRQIXYSKV-UHFFFAOYSA-N 0 0 258.277 1.726 20 10 CDCDRN C[C@@H](NCc1ccc(N(C)C)cc1)c1nnnn1C1CC1 ZINC000191822470 729980904 /nfs/dbraw/zinc/98/09/04/729980904.db2.gz KOQOJNIWXHABGH-LLVKDONJSA-N 0 0 286.383 1.925 20 10 CDCDRN COC(=O)[C@H](COC(C)C)N(C)Cc1cc(F)ccc1O ZINC000779033845 729982053 /nfs/dbraw/zinc/98/20/53/729982053.db2.gz OUGOUSBKJQRUFZ-ZDUSSCGKSA-N 0 0 299.342 1.930 20 10 CDCDRN CC(C)CCNC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842213107 729990180 /nfs/dbraw/zinc/99/01/80/729990180.db2.gz HGCNFVOIKLQVEC-UHFFFAOYSA-N 0 0 277.368 1.090 20 10 CDCDRN COC1(C(=O)NCc2cc(C)ccc2O)CCOCC1 ZINC000862756383 730011252 /nfs/dbraw/zinc/01/12/52/730011252.db2.gz WRDAQUSPJKMSPC-UHFFFAOYSA-N 0 0 279.336 1.512 20 10 CDCDRN C/C(=C/C(=O)N1CCN(C)c2ncccc21)c1cnccn1 ZINC000826890076 730020973 /nfs/dbraw/zinc/02/09/73/730020973.db2.gz GMYKOERUHPSANI-BENRWUELSA-N 0 0 295.346 1.758 20 10 CDCDRN COCCNC(=O)C1([NH2+]Cc2cc(C)c(C)cc2O)CC1 ZINC000839193079 730033336 /nfs/dbraw/zinc/03/33/36/730033336.db2.gz OKLFTICAYAQGNV-UHFFFAOYSA-N 0 0 292.379 1.394 20 10 CDCDRN Nc1ccc(CCNC(=O)N[C@@H](CO)CC2CCC2)cc1 ZINC000841955711 730039823 /nfs/dbraw/zinc/03/98/23/730039823.db2.gz KZCAYOOHMZVRBF-OAHLLOKOSA-N 0 0 291.395 1.662 20 10 CDCDRN COCCOCCN(C)C(=O)c1ccc(C)c(O)c1O ZINC000813885114 730045019 /nfs/dbraw/zinc/04/50/19/730045019.db2.gz OMJVJGLDOURHGG-UHFFFAOYSA-N 0 0 283.324 1.141 20 10 CDCDRN 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/nfs/dbraw/zinc/33/41/68/733334168.db2.gz YZSUFABETLCUGF-UHFFFAOYSA-N 0 0 261.281 1.070 20 10 CDCDRN Cc1cc(Cl)cc([C@@H](C)NCc2nnn(C)n2)c1O ZINC000808716916 733342975 /nfs/dbraw/zinc/34/29/75/733342975.db2.gz ZILNKMUODUCTKF-MRVPVSSYSA-N 0 0 281.747 1.728 20 10 CDCDRN CCCC[N@@H+](Cc1ccccc1O)C[C@H](O)[C@@H](C)O ZINC000930351308 733384235 /nfs/dbraw/zinc/38/42/35/733384235.db2.gz OKICJDULLNWDKS-DOMZBBRYSA-N 0 0 267.369 1.736 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)C[C@H]1CCC(=O)N1 ZINC000816889378 733394149 /nfs/dbraw/zinc/39/41/49/733394149.db2.gz WFHIEDCEYOWCRT-LLVKDONJSA-N 0 0 262.309 1.019 20 10 CDCDRN COc1ccc(O)c([C@@H](C)NCc2ncnn2C)c1 ZINC000182393661 733398904 /nfs/dbraw/zinc/39/89/04/733398904.db2.gz MDXVBERDKWBTMO-SECBINFHSA-N 0 0 262.313 1.380 20 10 CDCDRN O=C(NC[C@H]1COC2(CCOCC2)O1)C1=CC(=O)CS1 ZINC000777530757 733437277 /nfs/dbraw/zinc/43/72/77/733437277.db2.gz KRSWCJVTSMPVSN-JTQLQIEISA-N 0 0 299.348 1.106 20 10 CDCDRN Oc1cc2c(cc1CN1CC[C@@H](F)C1)[C@@H](O)CO2 ZINC000840103650 733462087 /nfs/dbraw/zinc/46/20/87/733462087.db2.gz NIUJHEVWXKTPTL-SKDRFNHKSA-N 0 0 253.273 1.362 20 10 CDCDRN COCCOC[C@H](C)NC(=O)NCc1cc(C)ccc1O ZINC000858286698 733551460 /nfs/dbraw/zinc/55/14/60/733551460.db2.gz GCJAZBAWIXVNLV-LBPRGKRZSA-N 0 0 296.367 1.551 20 10 CDCDRN C[C@@H]1C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CCO1 ZINC000779547819 733592151 /nfs/dbraw/zinc/59/21/51/733592151.db2.gz NQNMNWUXQGPYHZ-VSEZHWFZSA-N 0 0 277.320 1.795 20 10 CDCDRN NC(=O)C1([NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000792175720 733594031 /nfs/dbraw/zinc/59/40/31/733594031.db2.gz ZRWDCGFYEHGVEL-UHFFFAOYSA-N 0 0 258.680 1.292 20 10 CDCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@H]2CCC(=O)N2)c1 ZINC000830541041 733613883 /nfs/dbraw/zinc/61/38/83/733613883.db2.gz RDJKPDFNIYVYIZ-VHSXEESVSA-N 0 0 292.335 1.247 20 10 CDCDRN CN(C)c1ccc(CNC(=O)c2c[nH]nc2[N+](=O)[O-])cc1 ZINC000788267654 733647653 /nfs/dbraw/zinc/64/76/53/733647653.db2.gz YEYDBVUQGPGQII-UHFFFAOYSA-N 0 0 289.295 1.314 20 10 CDCDRN CCc1ncncc1C(=O)NCCc1ccc(N)cc1 ZINC000818546137 733661275 /nfs/dbraw/zinc/66/12/75/733661275.db2.gz ZVJCNCRTNJHTKS-UHFFFAOYSA-N 0 0 270.336 1.594 20 10 CDCDRN CC(C)(C)N1C[C@@H](C(=O)Nc2ccc(N)cc2)CC1=O ZINC000242940611 733665657 /nfs/dbraw/zinc/66/56/57/733665657.db2.gz HBGCEOZVRGPGTR-JTQLQIEISA-N 0 0 275.352 1.854 20 10 CDCDRN COCC[N@H+](CCC(=O)[O-])Cc1ccc(N(C)C)c(C)c1 ZINC000846270509 733668775 /nfs/dbraw/zinc/66/87/75/733668775.db2.gz ZFEITXJONONXCI-UHFFFAOYSA-N 0 0 294.395 1.984 20 10 CDCDRN COc1ccc(O)c(CNc2cncc3ncnn32)c1 ZINC000811806323 733674123 /nfs/dbraw/zinc/67/41/23/733674123.db2.gz QYQIZLWBLLASND-UHFFFAOYSA-N 0 0 271.280 1.451 20 10 CDCDRN COC(=O)C[C@H](C)CC(=O)NCc1cc(C)ccc1O ZINC000862755339 733728027 /nfs/dbraw/zinc/72/80/27/733728027.db2.gz FEKOMMMQXMTYSS-LLVKDONJSA-N 0 0 279.336 1.906 20 10 CDCDRN Cc1ccc(O)c(CN2CC[C@H](O)C(F)(F)C2)c1 ZINC000826958248 733753914 /nfs/dbraw/zinc/75/39/14/733753914.db2.gz OZOUIENFLLTXRP-LBPRGKRZSA-N 0 0 257.280 1.903 20 10 CDCDRN CN(C)c1ccc(CN(C)C(=O)CCCCO)cc1 ZINC000092173178 733764029 /nfs/dbraw/zinc/76/40/29/733764029.db2.gz MBECFBJGCJTHQQ-UHFFFAOYSA-N 0 0 264.369 1.874 20 10 CDCDRN CCN(C[C@@H](C)OC)C(=O)c1c(F)ccc(O)c1O ZINC000832328430 733814403 /nfs/dbraw/zinc/81/44/03/733814403.db2.gz JDUMKHDQUHWGPR-MRVPVSSYSA-N 0 0 271.288 1.734 20 10 CDCDRN COC[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(C)C ZINC000779526271 733817099 /nfs/dbraw/zinc/81/70/99/733817099.db2.gz WWJPVJPGPFNYLM-SMYYYNMVSA-N 0 0 279.336 1.898 20 10 CDCDRN COC1(CNC(=O)c2ccc(C)c(O)c2O)CCOCC1 ZINC000780991772 733843304 /nfs/dbraw/zinc/84/33/04/733843304.db2.gz NFAWFCBARWLWNK-UHFFFAOYSA-N 0 0 295.335 1.332 20 10 CDCDRN NC(=O)CCn1ccc(NCc2c(O)cccc2Cl)n1 ZINC000134082523 733860111 /nfs/dbraw/zinc/86/01/11/733860111.db2.gz QAESBCHWNRWJMT-UHFFFAOYSA-N 0 0 294.742 1.730 20 10 CDCDRN CN(C)c1ccc(/C=C/C[NH+]2CC(C(=O)[O-])C2)cc1 ZINC000840998713 733860816 /nfs/dbraw/zinc/86/08/16/733860816.db2.gz OYXVNKHPMGWELV-ONEGZZNKSA-N 0 0 260.337 1.782 20 10 CDCDRN O=S(=O)(C[C@H]1CCCOC1)Nc1ccc(O)cc1F ZINC000795349246 733861349 /nfs/dbraw/zinc/86/13/49/733861349.db2.gz XHJUFCHMDGZXBP-VIFPVBQESA-N 0 0 289.328 1.700 20 10 CDCDRN CNC(=O)CN(C)Cc1cc(Br)ccc1O ZINC000132594449 733863196 /nfs/dbraw/zinc/86/31/96/733863196.db2.gz XBXUSIFVEUVATF-UHFFFAOYSA-N 0 0 287.157 1.333 20 10 CDCDRN Cn1cc(/C=C/C(=O)N2C[C@H](CO)Cc3ccccc32)cn1 ZINC000816782628 733886009 /nfs/dbraw/zinc/88/60/09/733886009.db2.gz BXJNKGGTYPWHAF-PSKZRQQASA-N 0 0 297.358 1.631 20 10 CDCDRN CNC(=O)CCCC(=O)NCc1cc(Cl)ccc1O ZINC000846473132 733888034 /nfs/dbraw/zinc/88/80/34/733888034.db2.gz JBUAPSHJNLEJQP-UHFFFAOYSA-N 0 0 284.743 1.578 20 10 CDCDRN Cc1ccc(O)c(CNC(=O)NCc2nccn2C)c1 ZINC000858235655 733892979 /nfs/dbraw/zinc/89/29/79/733892979.db2.gz VHXNCEIIFITOPP-UHFFFAOYSA-N 0 0 274.324 1.434 20 10 CDCDRN CCN(C(=O)c1ccc(C)c(O)c1O)C(C)(C)C(=O)OC ZINC000886426576 733900195 /nfs/dbraw/zinc/90/01/95/733900195.db2.gz CHCWLXOKRYNNTI-UHFFFAOYSA-N 0 0 295.335 1.820 20 10 CDCDRN Nc1ccc(CCNC(=O)N2CCO[C@@H](C(F)F)C2)cc1 ZINC000841959116 733903638 /nfs/dbraw/zinc/90/36/38/733903638.db2.gz LBTRKLDZGKWODR-GFCCVEGCSA-N 0 0 299.321 1.487 20 10 CDCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCNC(=O)C1 ZINC000124517218 734020721 /nfs/dbraw/zinc/02/07/21/734020721.db2.gz QOIQCSKYBYMPQZ-LBPRGKRZSA-N 0 0 289.379 1.203 20 10 CDCDRN Cn1cnc(/C=C\C(=O)N2CCN(C)c3ccccc32)c1 ZINC000932529587 734023729 /nfs/dbraw/zinc/02/37/29/734023729.db2.gz STLGDDMPPNOPSS-FPLPWBNLSA-N 0 0 282.347 1.916 20 10 CDCDRN C[C@H]1CCCN(C(=O)C(=O)N(C)c2ccc(N)cc2)C1 ZINC000877075508 734026700 /nfs/dbraw/zinc/02/67/00/734026700.db2.gz DXGPPOBWHXNKQX-NSHDSACASA-N 0 0 275.352 1.490 20 10 CDCDRN CCCCC[C@@H](O)C(=O)NCc1ccc(OC)cc1O ZINC000831617732 734061755 /nfs/dbraw/zinc/06/17/55/734061755.db2.gz JRQABZMNXSMIDZ-CYBMUJFWSA-N 0 0 281.352 1.958 20 10 CDCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1ccon1 ZINC000831924381 734095707 /nfs/dbraw/zinc/09/57/07/734095707.db2.gz HBIDLGMDQVSUIN-JTQLQIEISA-N 0 0 290.319 1.766 20 10 CDCDRN Cc1ccc(C(=O)N2CCC[C@H]2CCO)c(O)c1O ZINC000779285835 734118660 /nfs/dbraw/zinc/11/86/60/734118660.db2.gz HGQJTTNHUUZOFJ-JTQLQIEISA-N 0 0 265.309 1.393 20 10 CDCDRN C[C@H](NC(=O)N1CC[C@@](C)(O)C1)c1ccc(N(C)C)cc1 ZINC000776250151 734121567 /nfs/dbraw/zinc/12/15/67/734121567.db2.gz SOUCYTJXKWYBRQ-BLLLJJGKSA-N 0 0 291.395 1.980 20 10 CDCDRN COC1CCN(Cc2cn(-c3ccc(N)cc3)nn2)CC1 ZINC000864620530 734137354 /nfs/dbraw/zinc/13/73/54/734137354.db2.gz QZWVAQCPQPQTGK-UHFFFAOYSA-N 0 0 287.367 1.460 20 10 CDCDRN C[C@H](NC(=O)N1CC=C[C@@H]1CO)c1ccc(N(C)C)cc1 ZINC000883627628 734151825 /nfs/dbraw/zinc/15/18/25/734151825.db2.gz KBGSVFVIICAKDH-SWLSCSKDSA-N 0 0 289.379 1.756 20 10 CDCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC1(O)CCC1 ZINC000828885043 734152556 /nfs/dbraw/zinc/15/25/56/734152556.db2.gz RVJNJAFEGDJTHF-JTQLQIEISA-N 0 0 279.336 1.450 20 10 CDCDRN Cc1onc(CO)c1C(=O)NCc1ccc(N(C)C)cc1 ZINC000847296736 734163743 /nfs/dbraw/zinc/16/37/43/734163743.db2.gz OXIOWOOEKHERTH-UHFFFAOYSA-N 0 0 289.335 1.471 20 10 CDCDRN Cn1cncc1[C@@H]1C[C@H]1C(=O)NCc1ccccc1O ZINC000830526589 734178824 /nfs/dbraw/zinc/17/88/24/734178824.db2.gz OOQOXFLGIWVKLR-VXGBXAGGSA-N 0 0 271.320 1.546 20 10 CDCDRN Cc1nnc(CC(=O)N(C)Cc2ccccc2O)s1 ZINC000830141878 734210810 /nfs/dbraw/zinc/21/08/10/734210810.db2.gz ZUGHFGYRIRKMRN-UHFFFAOYSA-N 0 0 277.349 1.753 20 10 CDCDRN COC(=O)N(C)CC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886637621 734225961 /nfs/dbraw/zinc/22/59/61/734225961.db2.gz AYBHJIMKVQNTCR-VIFPVBQESA-N 0 0 270.304 1.880 20 10 CDCDRN Cc1nn(C)cc1CC(=O)N[C@H](C)c1ccccc1O ZINC000827952409 734254137 /nfs/dbraw/zinc/25/41/37/734254137.db2.gz RFMQWQSCDHJLLC-LLVKDONJSA-N 0 0 273.336 1.854 20 10 CDCDRN C[C@@H]1[C@@H](CO)CCCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000840557729 734255270 /nfs/dbraw/zinc/25/52/70/734255270.db2.gz GSFAWWMCTOWRKN-HHQZKXIDSA-N 0 0 291.347 1.730 20 10 CDCDRN C[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858547574 734273687 /nfs/dbraw/zinc/27/36/87/734273687.db2.gz GJBPHMAXGFLTAB-CMPLNLGQSA-N 0 0 295.339 1.018 20 10 CDCDRN NC(=O)c1cc(NCCCSc2nccs2)ncn1 ZINC000881981631 734278873 /nfs/dbraw/zinc/27/88/73/734278873.db2.gz IKGOVBKRZOCJGL-UHFFFAOYSA-N 0 0 295.393 1.626 20 10 CDCDRN Cn1cncc1C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000289750997 734287707 /nfs/dbraw/zinc/28/77/07/734287707.db2.gz HKBPYXRAEPMSHE-UHFFFAOYSA-N 0 0 296.714 1.977 20 10 CDCDRN COc1ccccc1OCCC(=O)OCC(=O)C(C)=O ZINC000808489348 734298918 /nfs/dbraw/zinc/29/89/18/734298918.db2.gz NFMMPOMDQUBIAC-UHFFFAOYSA-N 0 0 280.276 1.165 20 10 CDCDRN Cc1nnc(NC(=O)NCCc2ccc(O)c(O)c2)s1 ZINC000115633641 734299441 /nfs/dbraw/zinc/29/94/41/734299441.db2.gz YSTOMLXVTPBBDV-UHFFFAOYSA-N 0 0 294.336 1.622 20 10 CDCDRN CC(C)CNC(=O)NC(=O)CSc1nccs1 ZINC000048874391 734308468 /nfs/dbraw/zinc/30/84/68/734308468.db2.gz HIHSITXIXVYZJM-UHFFFAOYSA-N 0 0 273.383 1.717 20 10 CDCDRN Cn1cnc(/C=C\C(=O)N2CCOCc3ccccc32)c1 ZINC000935736934 734312031 /nfs/dbraw/zinc/31/20/31/734312031.db2.gz HWSITFPPEMJKKF-SREVYHEPSA-N 0 0 283.331 1.997 20 10 CDCDRN Nc1ccc(CCNC(=O)NC2CC(F)(F)C2)cc1 ZINC000841886345 734324374 /nfs/dbraw/zinc/32/43/74/734324374.db2.gz NXJGGGPXJGTFJB-UHFFFAOYSA-N 0 0 269.295 1.908 20 10 CDCDRN CCOC(=O)CN(C)Cc1cc(OC)c(OC)cc1O ZINC000271771097 734329500 /nfs/dbraw/zinc/32/95/00/734329500.db2.gz FGBHUUZFCRTLLB-UHFFFAOYSA-N 0 0 283.324 1.404 20 10 CDCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCCc3nn[nH]c32)c1 ZINC000862755836 734331176 /nfs/dbraw/zinc/33/11/76/734331176.db2.gz ZKMXJBLWHXLSLZ-NSHDSACASA-N 0 0 286.335 1.555 20 10 CDCDRN O=C(NCCOc1ccccc1)c1cccc(O)c1O ZINC000126347235 734337338 /nfs/dbraw/zinc/33/73/38/734337338.db2.gz OYSNDDQCTJTRPZ-UHFFFAOYSA-N 0 0 273.288 1.907 20 10 CDCDRN CCOC(=O)[C@@H](C)NCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775101397 734345922 /nfs/dbraw/zinc/34/59/22/734345922.db2.gz VRUJRKNRUNSNBX-MRVPVSSYSA-N 0 0 298.295 1.350 20 10 CDCDRN CC1(C)C[C@](C)(NC(=O)c2cccc(O)c2O)C(=O)O1 ZINC000848146494 734358419 /nfs/dbraw/zinc/35/84/19/734358419.db2.gz BYAVWUFWRUVPAR-AWEZNQCLSA-N 0 0 279.292 1.312 20 10 CDCDRN O=C(CCc1cccnc1)NCCc1ccc(O)c(O)c1 ZINC000096968143 734377111 /nfs/dbraw/zinc/37/71/11/734377111.db2.gz ZDESFSLKDIATHJ-UHFFFAOYSA-N 0 0 286.331 1.784 20 10 CDCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1nnc2ccccn21 ZINC000779497961 734411754 /nfs/dbraw/zinc/41/17/54/734411754.db2.gz FCBMKXNCWBJJEB-FNORWQNLSA-N 0 0 296.286 1.792 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)[C@](C)(O)C1CCC1 ZINC000813481628 734412059 /nfs/dbraw/zinc/41/20/59/734412059.db2.gz XPNFLKINXXLDDE-OAHLLOKOSA-N 0 0 263.337 1.902 20 10 CDCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)C(F)F ZINC000856209370 734414877 /nfs/dbraw/zinc/41/48/77/734414877.db2.gz KZVPICXCNCHBTI-UHFFFAOYSA-N 0 0 284.306 1.529 20 10 CDCDRN OC[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@H]1CO ZINC000877764482 734458517 /nfs/dbraw/zinc/45/85/17/734458517.db2.gz FTOBUUBPWCRYRV-PHIMTYICSA-N 0 0 271.744 1.078 20 10 CDCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCCn1cccn1 ZINC000180975022 734458817 /nfs/dbraw/zinc/45/88/17/734458817.db2.gz BPRMHMITNRBYJM-HWKANZROSA-N 0 0 273.292 1.124 20 10 CDCDRN CCCCS(=O)(=O)NCc1ccc(OC)cc1O ZINC000795359025 734478425 /nfs/dbraw/zinc/47/84/25/734478425.db2.gz ZNMRFONUOXDXRN-UHFFFAOYSA-N 0 0 273.354 1.620 20 10 CDCDRN COC(=O)COc1ccc(N(C)CC(C)=O)cc1 ZINC000878406931 734513013 /nfs/dbraw/zinc/51/30/13/734513013.db2.gz GSINZQNYFCTNRG-UHFFFAOYSA-N 0 0 251.282 1.264 20 10 CDCDRN Cc1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)n[nH]1 ZINC000783083496 734528741 /nfs/dbraw/zinc/52/87/41/734528741.db2.gz BKSJNLZUMHATEG-UHFFFAOYSA-N 0 0 276.248 1.169 20 10 CDCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCCF ZINC000831924030 734557315 /nfs/dbraw/zinc/55/73/15/734557315.db2.gz BJJORCSFOMEHEH-VIFPVBQESA-N 0 0 255.289 1.895 20 10 CDCDRN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1nnnn1C ZINC000786785598 734558383 /nfs/dbraw/zinc/55/83/83/734558383.db2.gz PACKCUCZPDTVME-WDEREUQCSA-N 0 0 274.372 1.688 20 10 CDCDRN COCCOC(=O)NCc1cccc(OC)c1O ZINC000885025356 734615104 /nfs/dbraw/zinc/61/51/04/734615104.db2.gz LBJLJSDRLYBPCL-UHFFFAOYSA-N 0 0 255.270 1.273 20 10 CDCDRN CN1CCCc2cc(CNC(=O)C3=COCCO3)ccc21 ZINC000194921908 734624353 /nfs/dbraw/zinc/62/43/53/734624353.db2.gz UQEDUDAZOPSUMF-UHFFFAOYSA-N 0 0 288.347 1.573 20 10 CDCDRN CC[NH2+]CCNCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841038120 734626027 /nfs/dbraw/zinc/62/60/27/734626027.db2.gz WOGWLTBYUOUORN-UHFFFAOYSA-N 0 0 273.720 1.653 20 10 CDCDRN C[C@H](O)C[C@@H]1CCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841958972 734629829 /nfs/dbraw/zinc/62/98/29/734629829.db2.gz JFWAKCLANQMNCK-WFASDCNBSA-N 0 0 291.395 1.756 20 10 CDCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H]2COC(C)(C)O2)c1 ZINC000875480096 734631469 /nfs/dbraw/zinc/63/14/69/734631469.db2.gz OHIYBJKYEMQGCB-GFCCVEGCSA-N 0 0 294.351 1.651 20 10 CDCDRN CC[C@H]1CN(Cc2ccccc2O)C[C@H](C)S1(=O)=O ZINC000809725541 734659462 /nfs/dbraw/zinc/65/94/62/734659462.db2.gz VVOLDQIYHUUSDN-AAEUAGOBSA-N 0 0 283.393 1.790 20 10 CDCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CC(=O)N1 ZINC000824239868 734673889 /nfs/dbraw/zinc/67/38/89/734673889.db2.gz APPYKXMFUBKLQR-CYBMUJFWSA-N 0 0 289.379 1.380 20 10 CDCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccnc1 ZINC000183425896 734702566 /nfs/dbraw/zinc/70/25/66/734702566.db2.gz JESCDGJLOYAEQL-SNVBAGLBSA-N 0 0 272.304 1.854 20 10 CDCDRN CC[C@H]([NH2+][C@@H](C)CC(N)=O)c1ccc(F)cc1[O-] ZINC000796798203 734706295 /nfs/dbraw/zinc/70/62/95/734706295.db2.gz OZAJLJJFHDXLMW-KWQFWETISA-N 0 0 254.305 1.836 20 10 CDCDRN COC[C@H](NC(=O)C1=CC(=O)CS1)[C@H]1CCCO1 ZINC000791043122 734713699 /nfs/dbraw/zinc/71/36/99/734713699.db2.gz YVNARAQGKNFULY-VHSXEESVSA-N 0 0 271.338 1.378 20 10 CDCDRN O=C(C1=CC(=O)CS1)N(CCOCCO)C1CCC1 ZINC000855142708 734714374 /nfs/dbraw/zinc/71/43/74/734714374.db2.gz WOIVRUKDCAYODJ-UHFFFAOYSA-N 0 0 285.365 1.457 20 10 CDCDRN C[C@@H](C(=O)NCc1cc(Cl)ccc1O)[C@@H]1CCC(=O)N1 ZINC000862130248 734722116 /nfs/dbraw/zinc/72/21/16/734722116.db2.gz DNSUCZAUXJNWJK-KCJUWKMLSA-N 0 0 296.754 1.577 20 10 CDCDRN Cc1ccc(C(=O)N[C@H](C)C[C@@H](C)O)c(O)c1O ZINC000783631224 734728175 /nfs/dbraw/zinc/72/81/75/734728175.db2.gz MXQCFBWMTYCJJX-RKDXNWHRSA-N 0 0 253.298 1.295 20 10 CDCDRN C[C@H](Cc1c[nH]cn1)C(=O)NCc1ccccc1O ZINC000847590050 734776901 /nfs/dbraw/zinc/77/69/01/734776901.db2.gz SVYUXZVVWNWUQA-SNVBAGLBSA-N 0 0 259.309 1.610 20 10 CDCDRN Cc1cc(C(=O)N2CC[C@H](O)C2)c(C)n1-c1ccccn1 ZINC000304868446 734792932 /nfs/dbraw/zinc/79/29/32/734792932.db2.gz IXQKBALJLUNSOS-ZDUSSCGKSA-N 0 0 285.347 1.696 20 10 CDCDRN Cc1cc(O)c(CN2CC[NH+](C[C@H](C)O)CC2)cc1Cl ZINC000824710700 734796155 /nfs/dbraw/zinc/79/61/55/734796155.db2.gz ZGPORVAIHOZPMD-LBPRGKRZSA-N 0 0 298.814 1.852 20 10 CDCDRN Cc1nc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)no1 ZINC000775433270 734805753 /nfs/dbraw/zinc/80/57/53/734805753.db2.gz XHSDYGAKXOJYST-VIFPVBQESA-N 0 0 274.324 1.935 20 10 CDCDRN CC(=O)N1CC[C@@H](NC(=O)N(C)Cc2ccccc2O)C1 ZINC000120799352 734807363 /nfs/dbraw/zinc/80/73/63/734807363.db2.gz BEHRZHVTEVZKAV-CYBMUJFWSA-N 0 0 291.351 1.154 20 10 CDCDRN COc1cc(O)c(C[NH2+]CC2(C(=O)[O-])CCC2)cc1OC ZINC000854244584 734826328 /nfs/dbraw/zinc/82/63/28/734826328.db2.gz LUHCITKBXTUZPC-UHFFFAOYSA-N 0 0 295.335 1.754 20 10 CDCDRN COc1ccc(O)c([C@H](C)NC(=O)C2(C)COC2)c1 ZINC000782737957 734834295 /nfs/dbraw/zinc/83/42/95/734834295.db2.gz HSUBOOUOHYBKKW-VIFPVBQESA-N 0 0 265.309 1.615 20 10 CDCDRN COc1ccc(CNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)c(O)c1 ZINC000837593062 734844024 /nfs/dbraw/zinc/84/40/24/734844024.db2.gz SBIRNAZLEFOLNY-BIMULSAOSA-N 0 0 289.331 1.632 20 10 CDCDRN CN(C)S(=O)(=O)CCC[N@H+](C)Cc1ccccc1O ZINC000109769786 734867465 /nfs/dbraw/zinc/86/74/65/734867465.db2.gz OZHMBBMGPUUYLT-UHFFFAOYSA-N 0 0 286.397 1.106 20 10 CDCDRN COc1ccc(N(C)C[C@H](O)Cn2cccn2)cc1OC ZINC000068300843 734875598 /nfs/dbraw/zinc/87/55/98/734875598.db2.gz ZPMUBHMNEVPRLD-ZDUSSCGKSA-N 0 0 291.351 1.398 20 10 CDCDRN COc1ccc(CN2C[C@@H]3COC[C@H](C2)O3)c(O)c1OC ZINC000894270144 734902909 /nfs/dbraw/zinc/90/29/09/734902909.db2.gz BZDYUIWYSUVQAA-TXEJJXNPSA-N 0 0 295.335 1.009 20 10 CDCDRN COC(=O)[C@]12C[C@H]1CCCN2C(=O)c1cccc(O)c1O ZINC000886347530 734913393 /nfs/dbraw/zinc/91/33/93/734913393.db2.gz OWXJXDGOLAAGTN-PSLIRLAXSA-N 0 0 291.303 1.266 20 10 CDCDRN C[C@@H](CC(=O)NCCc1ccc(N)cc1)n1ccnc1 ZINC000846666778 734917588 /nfs/dbraw/zinc/91/75/88/734917588.db2.gz WKYAQNXIIGLGGE-LBPRGKRZSA-N 0 0 272.352 1.775 20 10 CDCDRN CO[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)[C@@H](C(=O)[O-])C1 ZINC000851708263 734926975 /nfs/dbraw/zinc/92/69/75/734926975.db2.gz SYMNDQQXWUTCQL-HUUCEWRRSA-N 0 0 292.379 1.817 20 10 CDCDRN CCn1ncnc1CN[C@H](C)c1cccc(OC)c1O ZINC000846168012 734937322 /nfs/dbraw/zinc/93/73/22/734937322.db2.gz PXRRTYLGAGMBPR-SNVBAGLBSA-N 0 0 276.340 1.863 20 10 CDCDRN C[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccc(F)cc1[O-] ZINC000704356764 734940195 /nfs/dbraw/zinc/94/01/95/734940195.db2.gz NFVIKRPSNXNWOH-SKDRFNHKSA-N 0 0 266.316 1.803 20 10 CDCDRN CO[C@@H](CS(=O)(=O)NCc1ccccc1O)C(C)C ZINC000827188491 734973539 /nfs/dbraw/zinc/97/35/39/734973539.db2.gz ZDJTXHVEBZBQDI-ZDUSSCGKSA-N 0 0 287.381 1.483 20 10 CDCDRN C[C@@H]1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)O1 ZINC000837282171 734982966 /nfs/dbraw/zinc/98/29/66/734982966.db2.gz HANLXBMAHIUGEE-STBQQDIQSA-N 0 0 277.320 1.795 20 10 CDCDRN O=C(c1cccc(O)c1O)N1CCC[C@H](n2ccnc2)C1 ZINC000790643267 735001819 /nfs/dbraw/zinc/00/18/19/735001819.db2.gz LDXGHKUXVZTLEE-NSHDSACASA-N 0 0 287.319 1.772 20 10 CDCDRN CS[C@@H](C)CC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784386970 735026678 /nfs/dbraw/zinc/02/66/78/735026678.db2.gz UNPCETLKWMNMLB-QMMMGPOBSA-N 0 0 284.333 1.965 20 10 CDCDRN C[C@@H]1COCCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000827310283 735099466 /nfs/dbraw/zinc/09/94/66/735099466.db2.gz MWTIQPIJUYRJOC-QMMMGPOBSA-N 0 0 269.272 1.345 20 10 CDCDRN Cc1nonc1C(=O)NCc1cc(Cl)ccc1O ZINC000857547790 735112649 /nfs/dbraw/zinc/11/26/49/735112649.db2.gz UERXLTFXOVSBPH-UHFFFAOYSA-N 0 0 267.672 1.667 20 10 CDCDRN O=C(CCn1cccc1)OCC(=O)c1ccc(O)c(O)c1 ZINC000784039350 735130778 /nfs/dbraw/zinc/13/07/78/735130778.db2.gz MPVOMGQEPPAVIH-UHFFFAOYSA-N 0 0 289.287 1.716 20 10 CDCDRN C[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1c([O-])cccc1F ZINC000886588036 735140396 /nfs/dbraw/zinc/14/03/96/735140396.db2.gz KCGLEFOZGAGARF-SECBINFHSA-N 0 0 292.314 1.335 20 10 CDCDRN O=C(NCc1ccccc1O)N[C@@H]1CCn2ccnc2C1 ZINC000777667839 735174144 /nfs/dbraw/zinc/17/41/44/735174144.db2.gz KQPPPHDDXLBEPN-GFCCVEGCSA-N 0 0 286.335 1.403 20 10 CDCDRN CC[C@H](NC(C)=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000867504156 735175572 /nfs/dbraw/zinc/17/55/72/735175572.db2.gz SKKHRBAXYUDPQI-ABAIWWIYSA-N 0 0 291.395 1.845 20 10 CDCDRN Cc1cnc(CNC(=O)c2cccc(O)c2O)s1 ZINC000193099145 735189789 /nfs/dbraw/zinc/18/97/89/735189789.db2.gz BJZUZIXMRWIOHR-UHFFFAOYSA-N 0 0 264.306 1.793 20 10 CDCDRN Cc1ccc(C(=O)C(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000115633637 735191527 /nfs/dbraw/zinc/19/15/27/735191527.db2.gz OVNQIPZGJJGLRM-UHFFFAOYSA-N 0 0 299.326 1.948 20 10 CDCDRN CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000237361131 735193934 /nfs/dbraw/zinc/19/39/34/735193934.db2.gz ZOPAQYGLAPVLCH-LBPRGKRZSA-N 0 0 297.380 1.021 20 10 CDCDRN O=C(NCc1cc(Cl)ccc1O)C1CC(=O)C1 ZINC000846474604 735589994 /nfs/dbraw/zinc/58/99/94/735589994.db2.gz 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/nfs/dbraw/zinc/17/24/25/924172425.db2.gz VTJXCQWVSAFDSR-GFCCVEGCSA-N 0 0 283.324 1.904 20 10 CDCDRN O=C(c1ccnn1CCF)N1CCc2cccc(O)c2C1 ZINC001194536506 924264248 /nfs/dbraw/zinc/26/42/48/924264248.db2.gz NJGNVHTYMUDTAM-UHFFFAOYSA-N 0 0 289.310 1.757 20 10 CDCDRN COc1nccnc1C(=O)NCc1c(C)cc(C)cc1O ZINC001195094997 924463443 /nfs/dbraw/zinc/46/34/43/924463443.db2.gz CUNOYZZMRHYLFR-UHFFFAOYSA-N 0 0 287.319 1.738 20 10 CDCDRN CN1CC[C@]2(CC[N@H+](Cc3c(F)ccc(F)c3[O-])C2)C1=O ZINC001273206927 925002057 /nfs/dbraw/zinc/00/20/57/925002057.db2.gz SNILPGCWPNIUHX-OAHLLOKOSA-N 0 0 296.317 1.725 20 10 CDCDRN Oc1ccc(CN2CCOCC(F)(F)C2)cc1O ZINC001203875184 925121011 /nfs/dbraw/zinc/12/10/11/925121011.db2.gz JSXDDLPUHJGENM-UHFFFAOYSA-N 0 0 259.252 1.565 20 10 CDCDRN O=C(Cc1cccnc1)NCC(=O)c1ccc(O)c(O)c1 ZINC001142150768 936980500 /nfs/dbraw/zinc/98/05/00/936980500.db2.gz CEAJXKDXVUZLLM-UHFFFAOYSA-N 0 0 286.287 1.034 20 10 CDCDRN CC1=NO[C@H](CNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000857276564 928688608 /nfs/dbraw/zinc/68/86/08/928688608.db2.gz QZSUGSOHSKEBPA-ZETCQYMHSA-N 0 0 268.244 1.132 20 10 CDCDRN Cc1cn(-c2cc(NCc3ccc(O)c(O)c3)ncn2)cn1 ZINC001169990277 928856351 /nfs/dbraw/zinc/85/63/51/928856351.db2.gz DPBGQMUIEQEONR-UHFFFAOYSA-N 0 0 297.318 1.994 20 10 CDCDRN O=S1(=O)CC=C(c2ccc(N3CCOCC3)cc2)CC1 ZINC001245208500 929752558 /nfs/dbraw/zinc/75/25/58/929752558.db2.gz JFUOEXWBVDWHLW-UHFFFAOYSA-N 0 0 293.388 1.725 20 10 CDCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCOC[C@H]1CCOC1 ZINC000882991164 930118389 /nfs/dbraw/zinc/11/83/89/930118389.db2.gz NXRVEGQCXPITFY-JTQLQIEISA-N 0 0 287.306 1.813 20 10 CDCDRN O=C(NCc1cccc(O)c1O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001153798256 937470919 /nfs/dbraw/zinc/47/09/19/937470919.db2.gz NPZIESYVDGPFPX-GDPRMGEGSA-N 0 0 275.304 1.329 20 10 CDCDRN CN1CC[C@]2(CCC[N@@H+]2Cc2ccc(F)c(F)c2[O-])C1=O ZINC001274030672 931131163 /nfs/dbraw/zinc/13/11/63/931131163.db2.gz UJCJCVNSYYLVAD-OAHLLOKOSA-N 0 0 296.317 1.867 20 10 CDCDRN O=C(C1=CC(=O)CS1)N1CC[C@H]2[C@@H]1CCCN2CCO 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CCN(C[C@@H](O)COCCOC)c1ccc(OC)cc1 ZINC000295624822 199592701 /nfs/dbraw/zinc/59/27/01/199592701.db2.gz BCKYHVLDCDFYFI-CQSZACIVSA-N 0 0 283.368 1.545 20 10 CDCDRN COCCCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000058483260 348861579 /nfs/dbraw/zinc/86/15/79/348861579.db2.gz ZFUJPBAWYWYKBV-UHFFFAOYSA-N 0 0 291.395 1.905 20 10 CDCDRN OC[C@@H]1CC(F)(F)CN1Cc1cc(F)ccc1O ZINC000364647825 358462664 /nfs/dbraw/zinc/46/26/64/358462664.db2.gz AKZITGPDQVYZOB-JTQLQIEISA-N 0 0 261.243 1.733 20 10 CDCDRN COc1cccc([C@H]2NC(=O)CN2CC(C)C)c1O ZINC000298773723 356912690 /nfs/dbraw/zinc/91/26/90/356912690.db2.gz FYFYNNVTUODMFT-AWEZNQCLSA-N 0 0 264.325 1.487 20 10 CDCDRN CCS(=O)(=O)CCN(C)Cc1cc(F)ccc1O ZINC000180196118 357250578 /nfs/dbraw/zinc/25/05/78/357250578.db2.gz UZRLLYCTZPLZTN-UHFFFAOYSA-N 0 0 275.345 1.398 20 10 CDCDRN CCS(=O)(=O)C[C@@H](C)N(C)Cc1cccc(C)c1O ZINC000180255117 357254448 /nfs/dbraw/zinc/25/44/48/357254448.db2.gz MGGQEMLEGXGOGV-GFCCVEGCSA-N 0 0 285.409 1.956 20 10 CDCDRN Cc1cc(Cl)cc(CN2CCN(C)C(=O)C2)c1O ZINC000180293177 357260019 /nfs/dbraw/zinc/26/00/19/357260019.db2.gz PFXLXEAARZMEJL-UHFFFAOYSA-N 0 0 268.744 1.628 20 10 CDCDRN CCOC[C@H](O)CN1CCOc2cc(N(C)C)ccc21 ZINC000181131300 357315713 /nfs/dbraw/zinc/31/57/13/357315713.db2.gz WVYCDWNHGOVYOC-CYBMUJFWSA-N 0 0 280.368 1.349 20 10 CDCDRN CCN1CCCN(C(=O)c2ccc(C)c(O)c2O)CC1=O ZINC000188076703 357843181 /nfs/dbraw/zinc/84/31/81/357843181.db2.gz OPHHGGTZMZCGPQ-UHFFFAOYSA-N 0 0 292.335 1.101 20 10 CDCDRN Cc1ccc(O)c(CN2CC[C@H](C)S(=O)(=O)CC2)c1 ZINC000192050502 358171413 /nfs/dbraw/zinc/17/14/13/358171413.db2.gz COQYFIUERXVIBM-LBPRGKRZSA-N 0 0 283.393 1.710 20 10 CDCDRN CCCOc1ccc(CN[C@H](C)C(=O)OC)c(O)c1 ZINC000193093274 358264379 /nfs/dbraw/zinc/26/43/79/358264379.db2.gz CAMOIYREXGZZJP-SNVBAGLBSA-N 0 0 267.325 1.832 20 10 CDCDRN COc1cccc(CNC(=O)NC[C@@H]2CCCCO2)c1O ZINC000266701938 363637740 /nfs/dbraw/zinc/63/77/40/363637740.db2.gz GRMKLUMPOYLDKD-LBPRGKRZSA-N 0 0 294.351 1.769 20 10 CDCDRN C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+](C)Cc1ccccc1O ZINC000114721382 359494777 /nfs/dbraw/zinc/49/47/77/359494777.db2.gz KDJDSLSKNUFGKK-TZMCWYRMSA-N 0 0 292.379 1.508 20 10 CDCDRN CCc1noc(NC(=O)NCc2cccc(OC)c2O)n1 ZINC000296925997 200036154 /nfs/dbraw/zinc/03/61/54/200036154.db2.gz XRJLQQPVQRCBOE-UHFFFAOYSA-N 0 0 292.295 1.668 20 10 CDCDRN COc1ccc(N2CCN(C(=O)COC(C)C)CC2)cc1 ZINC000063628427 360088630 /nfs/dbraw/zinc/08/86/30/360088630.db2.gz RCYDLCJLYGQRMW-UHFFFAOYSA-N 0 0 292.379 1.769 20 10 CDCDRN COc1cccc(C[NH2+]CCC[C@@H](C)CO)c1O ZINC000230160468 360255064 /nfs/dbraw/zinc/25/50/64/360255064.db2.gz PNBLDFZUMZOITF-LLVKDONJSA-N 0 0 253.342 1.899 20 10 CDCDRN [O-]c1c(Cl)cccc1C[NH2+]CC1(O)CCOCC1 ZINC000124797693 360400668 /nfs/dbraw/zinc/40/06/68/360400668.db2.gz CDXILBOFVOOLEH-UHFFFAOYSA-N 0 0 271.744 1.677 20 10 CDCDRN CCOCCNC(=O)CN(CC)c1ccc(OC)cc1 ZINC000267790328 363900017 /nfs/dbraw/zinc/90/00/17/363900017.db2.gz FUIJUCGPKWHEBG-UHFFFAOYSA-N 0 0 280.368 1.674 20 10 CDCDRN [O-]c1c(F)cccc1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000272240926 365147751 /nfs/dbraw/zinc/14/77/51/365147751.db2.gz APIJLOXAKDRJCV-UHFFFAOYSA-N 0 0 281.327 1.913 20 10 CDCDRN CS[C@@H](CO)[C@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC000272739117 365374079 /nfs/dbraw/zinc/37/40/79/365374079.db2.gz LRUSQWNQMLMNMG-WPRPVWTQSA-N 0 0 285.365 1.248 20 10 CDCDRN C[C@@H](CC(N)=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000283021855 368152359 /nfs/dbraw/zinc/15/23/59/368152359.db2.gz MBTMULVRDUVEQR-LBPRGKRZSA-N 0 0 289.379 1.415 20 10 CDCDRN CC[C@H]([NH2+][C@H](CCO)COC)c1ccc(F)cc1[O-] ZINC000286089468 368693374 /nfs/dbraw/zinc/69/33/74/368693374.db2.gz MQKZYRUPTPFZMC-YPMHNXCESA-N 0 0 271.332 1.969 20 10 CDCDRN CC[C@H]([NH2+]C[C@]1(O)CCOC1)c1ccc(F)cc1[O-] ZINC000286154512 368710453 /nfs/dbraw/zinc/71/04/53/368710453.db2.gz OZKNVDJRZDYFLN-GXTWGEPZSA-N 0 0 269.316 1.723 20 10 CDCDRN C[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)N1CC[NH+](C)CC1 ZINC000297933950 372038464 /nfs/dbraw/zinc/03/84/64/372038464.db2.gz XVAWBPZJBLATDO-HIFRSBDPSA-N 0 0 289.423 1.605 20 10 CDCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1cn[nH]c1 ZINC000299078385 372416744 /nfs/dbraw/zinc/41/67/44/372416744.db2.gz DSYZXINXNVKMCE-UHFFFAOYSA-N 0 0 286.335 1.176 20 10 CDCDRN O=C(/C=C/c1cnccn1)N1C[C@@H](O)Cc2ccccc21 ZINC000493543001 375462581 /nfs/dbraw/zinc/46/25/81/375462581.db2.gz BMNJKAHCMQQKMS-GJBLVYBDSA-N 0 0 281.315 1.440 20 10 CDCDRN Cc1ccc(/C=C\C(=O)N2CCn3nccc32)cn1 ZINC000493353240 375445311 /nfs/dbraw/zinc/44/53/11/375445311.db2.gz NSWAIQMQIGROKZ-PLNGDYQASA-N 0 0 254.293 1.647 20 10 CDCDRN CCC[C@@](C)(O)CNC(=O)c1c(F)ccc(O)c1O ZINC000295723895 378695457 /nfs/dbraw/zinc/69/54/57/378695457.db2.gz DVFNWORIOOUNHH-CYBMUJFWSA-N 0 0 271.288 1.518 20 10 CDCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2CC[C@@H](CO)C2)c1 ZINC000296286209 378725413 /nfs/dbraw/zinc/72/54/13/378725413.db2.gz FEUHUUVOIQPODQ-WZRBSPASSA-N 0 0 293.363 1.990 20 10 CDCDRN CCN(CC)c1ccc(CNC(=O)[C@H](C)O)cc1F ZINC000137007478 390941671 /nfs/dbraw/zinc/94/16/71/390941671.db2.gz IIEMKTPSBMSZNL-JTQLQIEISA-N 0 0 268.332 1.669 20 10 CDCDRN CCOC1CC(O)(C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000296601536 391061798 /nfs/dbraw/zinc/06/17/98/391061798.db2.gz XSXRWIPIFHJVKT-UYJPIKCFSA-N 0 0 277.364 1.899 20 10 CDCDRN CCCCOCCNC(=O)c1ccc(C)c(O)c1O ZINC000182243118 391233069 /nfs/dbraw/zinc/23/30/69/391233069.db2.gz LOYYAACZGRZKAX-UHFFFAOYSA-N 0 0 267.325 1.953 20 10 CDCDRN Cc1ccc(C(=O)NCC2(O)CCCC2)c(O)c1O ZINC000182440696 391235410 /nfs/dbraw/zinc/23/54/10/391235410.db2.gz UCTNPPGLNHLQKZ-UHFFFAOYSA-N 0 0 265.309 1.441 20 10 CDCDRN Nc1ccc(CCNC(=O)CN2CCCCCC2=O)cc1 ZINC000179042925 391195048 /nfs/dbraw/zinc/19/50/48/391195048.db2.gz DLESNUTYCHNLAM-UHFFFAOYSA-N 0 0 289.379 1.330 20 10 CDCDRN CCCOc1ccc(CN(C)CC(=O)OC)c(O)c1 ZINC000179396104 391204058 /nfs/dbraw/zinc/20/40/58/391204058.db2.gz NNTOGQKUUCRTQU-UHFFFAOYSA-N 0 0 267.325 1.786 20 10 CDCDRN CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000183769930 391269082 /nfs/dbraw/zinc/26/90/82/391269082.db2.gz XBCVZQIKLMHYQR-VXGBXAGGSA-N 0 0 266.297 1.549 20 10 CDCDRN COC(=O)COc1ccc(N(C)CCCCCO)cc1 ZINC000183797613 391269854 /nfs/dbraw/zinc/26/98/54/391269854.db2.gz QDPHAWWLFSGSGQ-UHFFFAOYSA-N 0 0 281.352 1.837 20 10 CDCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccn(C)n1 ZINC000190956786 391324248 /nfs/dbraw/zinc/32/42/48/391324248.db2.gz VTNIZXMFXMNCHI-VIFPVBQESA-N 0 0 290.323 1.584 20 10 CDCDRN COc1ccc(O)c(CN2CCOC[C@]23CCOC3)c1 ZINC000195013541 391374598 /nfs/dbraw/zinc/37/45/98/391374598.db2.gz SEKQDQZSQMOWKD-OAHLLOKOSA-N 0 0 279.336 1.392 20 10 CDCDRN CC[C@@H]([NH2+]Cc1nncn1C)c1ccc(F)cc1[O-] ZINC000285703324 391497700 /nfs/dbraw/zinc/49/77/00/391497700.db2.gz PFHDVTCDQLBCAA-LLVKDONJSA-N 0 0 264.304 1.901 20 10 CDCDRN O=S(=O)(NCc1ccccc1O)N1CCCCCC1 ZINC000158581468 392453446 /nfs/dbraw/zinc/45/34/46/392453446.db2.gz RPEMGPMLBBKCOA-UHFFFAOYSA-N 0 0 284.381 1.603 20 10 CDCDRN O=C(C=Cc1c[nH]cn1)N1C[C@H](CO)c2ccccc21 ZINC000493796438 393222224 /nfs/dbraw/zinc/22/22/24/393222224.db2.gz VKMAMEZREVRLGW-MVIFTORASA-N 0 0 269.304 1.546 20 10 CDCDRN CCCCS(=O)(=O)NCCc1ccc(N)cc1 ZINC000032109181 171702265 /nfs/dbraw/zinc/70/22/65/171702265.db2.gz KBKHVYCQPSJWQW-UHFFFAOYSA-N 0 0 256.371 1.531 20 10 CDCDRN C[C@@H](CO)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715712147 746830624 /nfs/dbraw/zinc/83/06/24/746830624.db2.gz JADHDAFNGATVAU-LURJTMIESA-N 0 0 278.121 1.764 20 10 CDCDRN CCN1CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000037322518 260089681 /nfs/dbraw/zinc/08/96/81/260089681.db2.gz SSVOXOWZBZEICO-UHFFFAOYSA-N 0 0 280.343 1.871 20 10 CDCDRN CC(=O)N1CCC[C@H](C(=O)NCCc2ccc(N)cc2)C1 ZINC000152496766 261064885 /nfs/dbraw/zinc/06/48/85/261064885.db2.gz BHIZESCENINAJJ-AWEZNQCLSA-N 0 0 289.379 1.186 20 10 CDCDRN C[C@H](Oc1cccnc1)C(=O)NCCc1ccc(N)cc1 ZINC000152561185 261066030 /nfs/dbraw/zinc/06/60/30/261066030.db2.gz CRHKEHCWGMBFSB-LBPRGKRZSA-N 0 0 285.347 1.790 20 10 CDCDRN C[C@H](NC(=O)C(C)(C)C)C(=O)NCc1ccc(O)c(O)c1 ZINC000159082857 261178035 /nfs/dbraw/zinc/17/80/35/261178035.db2.gz VJMLPNLYBOZKLS-VIFPVBQESA-N 0 0 294.351 1.265 20 10 CDCDRN Cc1nnc(CN2CCOc3cc(N(C)C)ccc32)n1C ZINC000163191715 261308547 /nfs/dbraw/zinc/30/85/47/261308547.db2.gz RKDYSCWEKBWBHH-UHFFFAOYSA-N 0 0 287.367 1.589 20 10 CDCDRN C[C@H](C[S@@](C)=O)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000164408435 261350396 /nfs/dbraw/zinc/35/03/96/261350396.db2.gz VXUWULBFUOZIKV-BCTVWOGZSA-N 0 0 261.774 1.902 20 10 CDCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCCO1 ZINC000186406453 262092032 /nfs/dbraw/zinc/09/20/32/262092032.db2.gz XCBYJGQLCYYYAB-QMTHXVAHSA-N 0 0 279.336 1.714 20 10 CDCDRN C[C@H](O)CC(C)(C)CNC(=O)c1cccc(O)c1O ZINC000187124948 262382491 /nfs/dbraw/zinc/38/24/91/262382491.db2.gz FJFNKHMDKJZCEI-VIFPVBQESA-N 0 0 267.325 1.625 20 10 CDCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(O)CC1 ZINC000272543176 263006093 /nfs/dbraw/zinc/00/60/93/263006093.db2.gz YDMOKBHKYZHZNR-DUXPYHPUSA-N 0 0 263.293 1.094 20 10 CDCDRN CCOc1ccc(O)c(CN(C)[C@H](C)C(=O)OC)c1 ZINC000280752745 263064240 /nfs/dbraw/zinc/06/42/40/263064240.db2.gz DWEHYXMYWHURNI-SNVBAGLBSA-N 0 0 267.325 1.784 20 10 CDCDRN COc1cc(Cl)cc(CN2CCNC(=O)C[C@H]2C)c1O ZINC000367669457 267107664 /nfs/dbraw/zinc/10/76/64/267107664.db2.gz KZOPWSMSYIRDJF-SECBINFHSA-N 0 0 298.770 1.765 20 10 CDCDRN O=C(NCc1ccc(O)c(O)c1)C1(O)Cc2ccccc2C1 ZINC000367888864 267125240 /nfs/dbraw/zinc/12/52/40/267125240.db2.gz ZERCPGFGPJZKFX-UHFFFAOYSA-N 0 0 299.326 1.244 20 10 CDCDRN Cn1cnc2c1CCN(Cc1cc(F)ccc1O)C2 ZINC000367930198 267128461 /nfs/dbraw/zinc/12/84/61/267128461.db2.gz MXINMGAAZUBUCM-UHFFFAOYSA-N 0 0 261.300 1.823 20 10 CDCDRN Cc1ccc(C(=O)N2CC[C@H]([C@H]3CCOC3)C2)c(O)c1O ZINC000368084685 267145371 /nfs/dbraw/zinc/14/53/71/267145371.db2.gz HMFNBTGAPHZEDT-RYUDHWBXSA-N 0 0 291.347 1.905 20 10 CDCDRN Cc1noc(C2CN(C(=O)c3ccc(C)c(O)c3O)C2)n1 ZINC000370489203 267322799 /nfs/dbraw/zinc/32/27/99/267322799.db2.gz ABKAQPFWPDIWJS-UHFFFAOYSA-N 0 0 289.291 1.337 20 10 CDCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@@H](O)CC2)cc1OC ZINC000293869259 295027159 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/nfs/dbraw/zinc/83/85/61/749838561.db2.gz XGSWIGXFIOHFGC-UHFFFAOYSA-N 0 0 279.292 1.171 20 10 CDCDRN COCc1cc(N(C)Cc2ccccc2O)ncn1 ZINC000782149501 749856245 /nfs/dbraw/zinc/85/62/45/749856245.db2.gz AUKDAWBNISURAF-UHFFFAOYSA-N 0 0 259.309 1.965 20 10 CDCDRN CNC(=O)CCC[N@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000155212630 749880878 /nfs/dbraw/zinc/88/08/78/749880878.db2.gz GBMZITBTGDMIKN-UHFFFAOYSA-N 0 0 296.342 1.692 20 10 CDCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCCC1(O)CCC1 ZINC000817645309 749895391 /nfs/dbraw/zinc/89/53/91/749895391.db2.gz DVXPIKMMOQSUNR-XQRVVYSFSA-N 0 0 291.347 1.922 20 10 CDCDRN COC[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779473723 749907576 /nfs/dbraw/zinc/90/75/76/749907576.db2.gz YXFLRNVPQPVDCL-OTQAPUNGSA-N 0 0 251.282 1.262 20 10 CDCDRN CC(=O)C(=O)CSc1nc2ccccc2c(=O)n1C ZINC000808013440 749920740 /nfs/dbraw/zinc/92/07/40/749920740.db2.gz CCBMYUNVINMQMV-UHFFFAOYSA-N 0 0 276.317 1.184 20 10 CDCDRN O=C(NC[C@H]1CCC=CO1)c1c(F)ccc(O)c1O ZINC000829668058 749925816 /nfs/dbraw/zinc/92/58/16/749925816.db2.gz PLRBKVICMKNVMR-MRVPVSSYSA-N 0 0 267.256 1.659 20 10 CDCDRN CCO[C@@H]1COC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000825196973 749944735 /nfs/dbraw/zinc/94/47/35/749944735.db2.gz RMAKXHNGMUOUMJ-VXGBXAGGSA-N 0 0 271.744 1.939 20 10 CDCDRN Cc1n[nH]nc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000188483123 749950535 /nfs/dbraw/zinc/95/05/35/749950535.db2.gz RIOZNNDECBBBQD-UHFFFAOYSA-N 0 0 273.340 1.451 20 10 CDCDRN CN(C)c1ccc(CNC(=O)CN2CCC(F)(F)C2)cc1 ZINC000776610227 750006724 /nfs/dbraw/zinc/00/67/24/750006724.db2.gz QWBKLZLTEICDRS-UHFFFAOYSA-N 0 0 297.349 1.710 20 10 CDCDRN C[C@H](C[S@](C)=O)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886587789 750045687 /nfs/dbraw/zinc/04/56/87/750045687.db2.gz FOAIUODHLJDSRU-NMIRZEMHSA-N 0 0 259.346 1.949 20 10 CDCDRN CC(C)[C@H](NC(=O)C1=CC(=O)CS1)c1ncon1 ZINC000834534069 750204247 /nfs/dbraw/zinc/20/42/47/750204247.db2.gz ZBWGKCLUOFCGKZ-VIFPVBQESA-N 0 0 267.310 1.964 20 10 CDCDRN Cc1ccc(C(=O)NCCc2ccccn2)c(O)c1O ZINC000177664178 750291824 /nfs/dbraw/zinc/29/18/24/750291824.db2.gz WLEJXHCRILXZNN-UHFFFAOYSA-N 0 0 272.304 1.774 20 10 CDCDRN C[C@H]1COC[C@@H]1NC(=O)NCc1cc(Cl)ccc1O ZINC000926021693 750308927 /nfs/dbraw/zinc/30/89/27/750308927.db2.gz BCHBIHUDQJZJDK-KWQFWETISA-N 0 0 284.743 1.880 20 10 CDCDRN CCn1nncc1CN1CCOc2cc(N(C)C)ccc21 ZINC000838906011 750312328 /nfs/dbraw/zinc/31/23/28/750312328.db2.gz HAOXMFSWJTUHMG-UHFFFAOYSA-N 0 0 287.367 1.763 20 10 CDCDRN CCn1ccnc1[C@@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000852913470 750329681 /nfs/dbraw/zinc/32/96/81/750329681.db2.gz VVPGGTNMWBUFDD-LLVKDONJSA-N 0 0 272.352 1.905 20 10 CDCDRN CC(=O)C(=O)CSc1nnnn1-c1c(C)cccc1C ZINC000808015956 750335529 /nfs/dbraw/zinc/33/55/29/750335529.db2.gz BTCSCLFNCWJOMK-UHFFFAOYSA-N 0 0 290.348 1.529 20 10 CDCDRN CN(C)c1ccc2c(c1)OCCN2Cc1cnon1 ZINC000851882350 750364021 /nfs/dbraw/zinc/36/40/21/750364021.db2.gz VRYJUWUYRVHYQS-UHFFFAOYSA-N 0 0 260.297 1.535 20 10 CDCDRN CC(=O)C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O ZINC000808010481 750372041 /nfs/dbraw/zinc/37/20/41/750372041.db2.gz ZRKLKCZRRDICNU-UHFFFAOYSA-N 0 0 299.113 1.861 20 10 CDCDRN Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1ccccc1O ZINC000878242802 750377286 /nfs/dbraw/zinc/37/72/86/750377286.db2.gz VZHRZRUXCODZQE-UHFFFAOYSA-N 0 0 290.323 1.937 20 10 CDCDRN C[C@H]([NH2+]CCCS(C)(=O)=O)c1c([O-])cccc1F ZINC000886522491 750390475 /nfs/dbraw/zinc/39/04/75/750390475.db2.gz KIAPPOXGSHQMNO-VIFPVBQESA-N 0 0 275.345 1.617 20 10 CDCDRN COCCOCC(=O)N[C@H](C)c1ccccc1O ZINC000827936925 750435762 /nfs/dbraw/zinc/43/57/62/750435762.db2.gz GVHRGSCCBOKRKV-SNVBAGLBSA-N 0 0 253.298 1.232 20 10 CDCDRN O=C([O-])C[N@@H+](Cc1cc(F)ccc1O)C1CCC1 ZINC000848640558 750477754 /nfs/dbraw/zinc/47/77/54/750477754.db2.gz RUICRUPXXJZADC-UHFFFAOYSA-N 0 0 253.273 1.970 20 10 CDCDRN CC1(CC[NH2+]Cc2cc(F)cc(F)c2[O-])OCCO1 ZINC000708394279 750524385 /nfs/dbraw/zinc/52/43/85/750524385.db2.gz URDRDZZZGUOSBE-UHFFFAOYSA-N 0 0 273.279 1.913 20 10 CDCDRN CC[C@H](O)CCCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779526851 750556289 /nfs/dbraw/zinc/55/62/89/750556289.db2.gz ZCFXICFJJRKVOM-WMADIVHISA-N 0 0 279.336 1.778 20 10 CDCDRN CCn1nc(C)c(CNC(=O)Nc2ccc(N)cc2)n1 ZINC000818634510 750623251 /nfs/dbraw/zinc/62/32/51/750623251.db2.gz CAJGEOGHYOPRNT-UHFFFAOYSA-N 0 0 274.328 1.510 20 10 CDCDRN COc1ccc(O)c(CNC(=O)N[C@H](C)CSC)c1 ZINC000077600104 750800937 /nfs/dbraw/zinc/80/09/37/750800937.db2.gz YWAIBBDCASQCIC-SECBINFHSA-N 0 0 284.381 1.952 20 10 CDCDRN CCOC1(C(=O)NCCc2ccc(N)cc2)CCOCC1 ZINC000852797695 750800948 /nfs/dbraw/zinc/80/09/48/750800948.db2.gz ZKVYCDABOGACSE-UHFFFAOYSA-N 0 0 292.379 1.513 20 10 CDCDRN C[C@H](NC(=O)NC[C@@H](O)C1CC1)c1ccc(N(C)C)cc1 ZINC000776238031 750803502 /nfs/dbraw/zinc/80/35/02/750803502.db2.gz HNWTUCGQECTQNM-XHDPSFHLSA-N 0 0 291.395 1.884 20 10 CDCDRN C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])N(C)C ZINC000824988546 750808185 /nfs/dbraw/zinc/80/81/85/750808185.db2.gz MUAOACOIPVKZSP-VIFPVBQESA-N 0 0 253.302 1.340 20 10 CDCDRN CCOC(=O)CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775403585 750814134 /nfs/dbraw/zinc/81/41/34/750814134.db2.gz PVEBYIWLDLGTHC-NSHDSACASA-N 0 0 278.352 1.883 20 10 CDCDRN CC[N@H+](CC(=O)NC)Cc1cc(Cl)c(F)cc1[O-] ZINC000816486355 750814341 /nfs/dbraw/zinc/81/43/41/750814341.db2.gz ZIARACYDDDHFNS-UHFFFAOYSA-N 0 0 274.723 1.753 20 10 CDCDRN CO[C@@H]1CCC[C@@H]1CNC(=O)c1cccc(O)c1O ZINC000790916524 750825938 /nfs/dbraw/zinc/82/59/38/750825938.db2.gz TVFCJOXPTJIWFZ-BXKDBHETSA-N 0 0 265.309 1.643 20 10 CDCDRN CCOc1ccc(N(C)C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000789295133 750847021 /nfs/dbraw/zinc/84/70/21/750847021.db2.gz WOYXGNOMTLYUNH-LBPRGKRZSA-N 0 0 283.393 1.956 20 10 CDCDRN NC(=O)[C@H](OC(=O)c1cccc(O)c1O)c1ccccc1 ZINC000776282142 750850060 /nfs/dbraw/zinc/85/00/60/750850060.db2.gz PNVUSYCHFWVAEH-CYBMUJFWSA-N 0 0 287.271 1.481 20 10 CDCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1COCCO1 ZINC000816536840 750856196 /nfs/dbraw/zinc/85/61/96/750856196.db2.gz LPMHCBWGNPCYNN-SECBINFHSA-N 0 0 275.707 1.690 20 10 CDCDRN C[C@]1(CNC(=O)c2cccc(O)c2O)CCOC1 ZINC000397229286 750862522 /nfs/dbraw/zinc/86/25/22/750862522.db2.gz LIUOODIBVMDABT-CYBMUJFWSA-N 0 0 251.282 1.254 20 10 CDCDRN C[C@H]([NH2+]C[C@H]1CCCNC1=O)c1cc(F)cc(F)c1[O-] ZINC000840826408 750874186 /nfs/dbraw/zinc/87/41/86/750874186.db2.gz XJYIAYAIGHFICV-DTWKUNHWSA-N 0 0 284.306 1.847 20 10 CDCDRN CN(C)c1ccc(C[N@@H+]2CCSC[C@@H]2C(=O)[O-])cc1 ZINC000840998981 750879564 /nfs/dbraw/zinc/87/95/64/750879564.db2.gz IXVMIHBCOFRSNF-CYBMUJFWSA-N 0 0 280.393 1.755 20 10 CDCDRN NC(=O)NCCCCC(=O)NCc1cc(Cl)ccc1O ZINC000846479887 750898929 /nfs/dbraw/zinc/89/89/29/750898929.db2.gz PCVUSLMXVDIAAZ-UHFFFAOYSA-N 0 0 299.758 1.500 20 10 CDCDRN C/C=C/[C@@H](O)C(=O)NCc1cccc(Cl)c1O ZINC000890761490 750932586 /nfs/dbraw/zinc/93/25/86/750932586.db2.gz TZBGWPLRGNITDU-XCRNYIDWSA-N 0 0 255.701 1.599 20 10 CDCDRN C[C@H]1CO[C@@H](CO)CN1Cc1cc(F)ccc1O ZINC000779034166 751007944 /nfs/dbraw/zinc/00/79/44/751007944.db2.gz PLBNUSKYTILRCJ-JOYOIKCWSA-N 0 0 255.289 1.113 20 10 CDCDRN C[C@@H]1CN(CCNC(=O)Cc2ccc(N)cc2)[C@H](C)CO1 ZINC000852847865 751024859 /nfs/dbraw/zinc/02/48/59/751024859.db2.gz YPVJVJMPDKDTOK-CHWSQXEVSA-N 0 0 291.395 1.037 20 10 CDCDRN C[C@H](OC[C@H]1CCCO1)C(=O)N(C)Cc1ccccc1O ZINC000070822457 751036156 /nfs/dbraw/zinc/03/61/56/751036156.db2.gz DZYMRBYGIJHRFK-GXTWGEPZSA-N 0 0 293.363 1.935 20 10 CDCDRN C[C@@H](NC(=O)c1cccc(O)c1O)[C@H](O)C(F)(F)F ZINC000819566868 751041310 /nfs/dbraw/zinc/04/13/10/751041310.db2.gz SUFMTZSGQDYJFG-ANLVUFKYSA-N 0 0 279.214 1.139 20 10 CDCDRN CCOC(=O)CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000194611965 751045099 /nfs/dbraw/zinc/04/50/99/751045099.db2.gz FQHUVHIGXCOOLV-UHFFFAOYSA-N 0 0 290.363 1.638 20 10 CDCDRN NC(=O)c1ccccc1CCC(=O)NCc1ccccc1O ZINC000792239082 751050840 /nfs/dbraw/zinc/05/08/40/751050840.db2.gz ANILPKHBOVBXJN-UHFFFAOYSA-N 0 0 298.342 1.740 20 10 CDCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cn[nH]n1 ZINC000048892071 751074353 /nfs/dbraw/zinc/07/43/53/751074353.db2.gz LJZPZLXJDDSVAC-UHFFFAOYSA-N 0 0 271.324 1.335 20 10 CDCDRN Nc1ccc(Cc2noc(COC3CCOCC3)n2)cc1 ZINC000843159186 751079654 /nfs/dbraw/zinc/07/96/54/751079654.db2.gz MDGRVCQJQVVZIX-UHFFFAOYSA-N 0 0 289.335 1.938 20 10 CDCDRN COCCCOCC(=O)NCc1ccc(N(C)C)cc1C ZINC000775747169 751136447 /nfs/dbraw/zinc/13/64/47/751136447.db2.gz QDIBJEPNSVLTAA-UHFFFAOYSA-N 0 0 294.395 1.730 20 10 CDCDRN Cc1cc(O)c(CNCc2nc(N(C)C)no2)cc1C ZINC000789553452 751138254 /nfs/dbraw/zinc/13/82/54/751138254.db2.gz AWNXSEDUHCZCKO-UHFFFAOYSA-N 0 0 276.340 1.748 20 10 CDCDRN C[C@@H]1CCC[C@H](NC=C2C(=O)N(C)C(=O)N(C)C2=O)[C@@H]1C ZINC000072680399 751194134 /nfs/dbraw/zinc/19/41/34/751194134.db2.gz WMPBCYWNZXZHEZ-FOGDFJRCSA-N 0 0 293.367 1.335 20 10 CDCDRN C[C@@H]1C[C@H](O)CN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000836246540 751196011 /nfs/dbraw/zinc/19/60/11/751196011.db2.gz HVSVKJPOHGLXDG-DOMZBBRYSA-N 0 0 291.395 1.665 20 10 CDCDRN CO[C@@]1(C(=O)N(C)c2ccc(N)cc2)CCSC1 ZINC000884441627 751236842 /nfs/dbraw/zinc/23/68/42/751236842.db2.gz MIWVMJCBMVBBCJ-ZDUSSCGKSA-N 0 0 266.366 1.754 20 10 CDCDRN Cn1cc(/C=C/C(=O)N2C[C@@H](CO)Cc3ccccc32)cn1 ZINC000816782629 751299317 /nfs/dbraw/zinc/29/93/17/751299317.db2.gz BXJNKGGTYPWHAF-UZYOAWRESA-N 0 0 297.358 1.631 20 10 CDCDRN COc1ccc(CNC(=O)N[C@H](C)[C@H](C)OC)c(O)c1 ZINC000811958685 751303255 /nfs/dbraw/zinc/30/32/55/751303255.db2.gz FPWWXOGEVTVTID-ZJUUUORDSA-N 0 0 282.340 1.623 20 10 CDCDRN C[C@@H](O)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000786840494 751303478 /nfs/dbraw/zinc/30/34/78/751303478.db2.gz DKMXXTYJYRFXQB-GFCCVEGCSA-N 0 0 262.353 1.674 20 10 CDCDRN CN(C)c1cc(F)c(CN2CCC[C@@H]2C(N)=O)cc1F ZINC000862387736 751324669 /nfs/dbraw/zinc/32/46/69/751324669.db2.gz PHQHLSZLFYZMNK-GFCCVEGCSA-N 0 0 283.322 1.481 20 10 CDCDRN CNC(=O)[C@H](CC(C)C)NC(=O)Nc1ccc(N)cc1 ZINC000387085504 752353911 /nfs/dbraw/zinc/35/39/11/752353911.db2.gz FQSYRAJAKQXBPN-LBPRGKRZSA-N 0 0 278.356 1.551 20 10 CDCDRN CCN(C[C@@H]1CCC(=O)N1)c1ccc(OC)c(OC)c1 ZINC000844305140 752362192 /nfs/dbraw/zinc/36/21/92/752362192.db2.gz OXICVNKAMAIYQN-NSHDSACASA-N 0 0 278.352 1.809 20 10 CDCDRN C[C@H]([NH2+]C[C@@H]1CCCNC1=O)c1ccc(F)cc1[O-] ZINC000840825610 752412555 /nfs/dbraw/zinc/41/25/55/752412555.db2.gz HUGJVRSIIQRICP-UWVGGRQHSA-N 0 0 266.316 1.708 20 10 CDCDRN CC[C@H](NC(C)=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000865903680 752574491 /nfs/dbraw/zinc/57/44/91/752574491.db2.gz DXVIOPZOVJLPMS-HNNXBMFYSA-N 0 0 291.395 1.592 20 10 CDCDRN COCCOCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708454262 752600315 /nfs/dbraw/zinc/60/03/15/752600315.db2.gz OIBNXWITGGBTPG-UHFFFAOYSA-N 0 0 261.268 1.423 20 10 CDCDRN COc1cccc(CN2CCS(=O)(=O)[C@H](C)[C@@H]2C)c1O ZINC000093560151 752632289 /nfs/dbraw/zinc/63/22/89/752632289.db2.gz USUCHGCACZTXBD-WDEREUQCSA-N 0 0 299.392 1.408 20 10 CDCDRN CCC[C@H](C)CS(=O)(=O)NCc1ccc(O)cc1O ZINC000867417237 752775564 /nfs/dbraw/zinc/77/55/64/752775564.db2.gz OVGZUJAEXQKVDQ-JTQLQIEISA-N 0 0 287.381 1.953 20 10 CDCDRN O=C([O-])C1CC([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000871881735 752807127 /nfs/dbraw/zinc/80/71/27/752807127.db2.gz GSJIHOOBSOEFBD-UHFFFAOYSA-N 0 0 290.363 1.476 20 10 CDCDRN NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000883016009 752827345 /nfs/dbraw/zinc/82/73/45/752827345.db2.gz LADWRZFLKBWPBQ-KCJUWKMLSA-N 0 0 284.306 1.804 20 10 CDCDRN CC[C@@H]1COCCN1CCNC(=O)Cc1ccc(N)cc1 ZINC000877432116 752829120 /nfs/dbraw/zinc/82/91/20/752829120.db2.gz ASWXHTMZFSTOOU-OAHLLOKOSA-N 0 0 291.395 1.038 20 10 CDCDRN C[C@H](NS(=O)(=O)C[C@@H]1CCCO1)c1ccccc1O ZINC000867834515 752832412 /nfs/dbraw/zinc/83/24/12/752832412.db2.gz OZWYCDUNRSXVIZ-QWRGUYRKSA-N 0 0 285.365 1.552 20 10 CDCDRN Cc1cncc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c1 ZINC000783908487 752833905 /nfs/dbraw/zinc/83/39/05/752833905.db2.gz RUOTVOBVURBZLD-UHFFFAOYSA-N 0 0 287.271 1.841 20 10 CDCDRN Cc1ccc(O)c(CNC(=O)Nc2cnnn2C)c1 ZINC000861062819 752834851 /nfs/dbraw/zinc/83/48/51/752834851.db2.gz ZEXYTBXPPDMNEN-UHFFFAOYSA-N 0 0 261.285 1.151 20 10 CDCDRN CCn1cc(CNCc2ccc(N(C)C)cc2C)nn1 ZINC000827086617 752867446 /nfs/dbraw/zinc/86/74/46/752867446.db2.gz AEWZFOYYLLBHBO-UHFFFAOYSA-N 0 0 273.384 1.962 20 10 CDCDRN CCO[C@H]1C[C@H]1C(=O)NCc1cc(OC)ccc1O ZINC000172042441 752875735 /nfs/dbraw/zinc/87/57/35/752875735.db2.gz QMJLFQIPRCHEHI-YPMHNXCESA-N 0 0 265.309 1.442 20 10 CDCDRN C[C@H](NC(=O)[C@@]1(O)CCOC1)c1ccc(N(C)C)cc1 ZINC000840425117 752888817 /nfs/dbraw/zinc/88/88/17/752888817.db2.gz ILYZMFYYHNBXDE-XHDPSFHLSA-N 0 0 278.352 1.081 20 10 CDCDRN OC[C@@]1(F)CCN(Cc2c(O)cccc2Cl)C1 ZINC000802660933 753115809 /nfs/dbraw/zinc/11/58/09/753115809.db2.gz ZWPISTNGVMQBGP-GFCCVEGCSA-N 0 0 259.708 1.952 20 10 CDCDRN NC(=O)Nc1cccc(NC(=O)c2cccc(O)c2O)c1 ZINC000776325950 753162350 /nfs/dbraw/zinc/16/23/50/753162350.db2.gz UOPBOYSWLSYPKR-UHFFFAOYSA-N 0 0 287.275 1.841 20 10 CDCDRN COc1cccc(O)c1C[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000817412271 753219967 /nfs/dbraw/zinc/21/99/67/753219967.db2.gz HMOXKOWUZKHURU-VXGBXAGGSA-N 0 0 265.353 1.851 20 10 CDCDRN CN(C)c1ccc(CNC(=O)[C@@H](O)C2CC2)cc1F ZINC000824668971 753251412 /nfs/dbraw/zinc/25/14/12/753251412.db2.gz AOEQGXKZTNRQPZ-ZDUSSCGKSA-N 0 0 266.316 1.279 20 10 CDCDRN CSCC[C@@H](O)C(=O)N[C@H](C)c1ccccc1O ZINC000827941754 753299339 /nfs/dbraw/zinc/29/93/39/753299339.db2.gz XPNXZIGMWNKSQA-BXKDBHETSA-N 0 0 269.366 1.683 20 10 CDCDRN COc1ccc(N(C)C[C@@H]2CCC(=O)N2)cc1OC ZINC000844278445 753324313 /nfs/dbraw/zinc/32/43/13/753324313.db2.gz CULOELKTFIRDFK-JTQLQIEISA-N 0 0 264.325 1.419 20 10 CDCDRN CN(C)c1ccc(CNC(=O)NC[C@H]2C[C@@H](O)C2)cc1F ZINC000875181839 753378739 /nfs/dbraw/zinc/37/87/39/753378739.db2.gz WWBUDSUBVFAYCC-TXEJJXNPSA-N 0 0 295.358 1.462 20 10 CDCDRN COCCOC1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000237075633 753413245 /nfs/dbraw/zinc/41/32/45/753413245.db2.gz VTNFGCLULRWZIN-UHFFFAOYSA-N 0 0 292.379 1.465 20 10 CDCDRN Cc1cc(N(C)C)ccc1CNC(=O)NOCC(C)(C)O ZINC000824337854 753427463 /nfs/dbraw/zinc/42/74/63/753427463.db2.gz NVXNACDLYGYTFK-UHFFFAOYSA-N 0 0 295.383 1.563 20 10 CDCDRN COc1ccc(CNC(=O)N[C@@H]2CO[C@H](C)C2)c(O)c1 ZINC000827617973 753459451 /nfs/dbraw/zinc/45/94/51/753459451.db2.gz MOPNLSPKIQJKSG-KOLCDFICSA-N 0 0 280.324 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COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3F)CC2)cc1F ZINC001346394929 965080049 /nfs/dbraw/zinc/08/00/49/965080049.db2.gz ZSIXNDCMSOEQFH-NEPJUHHUSA-N 0 0 296.317 1.841 20 10 CDCDRN CC1(C)CN(C(=O)NCc2ccc(N)cc2)CCO1 ZINC001346740193 965234249 /nfs/dbraw/zinc/23/42/49/965234249.db2.gz XXVDHLNKEIAOLE-UHFFFAOYSA-N 0 0 263.341 1.589 20 10 CDCDRN COC[C@H]1CN(C(=O)NCc2ccc(N)cc2)C[C@@H](C)O1 ZINC001346739057 965235016 /nfs/dbraw/zinc/23/50/16/965235016.db2.gz MHBMIJSAQWROJX-BXUZGUMPSA-N 0 0 293.367 1.214 20 10 CDCDRN CCc1ncoc1C(=O)NCc1ccc(OC)cc1O ZINC001347059356 965351873 /nfs/dbraw/zinc/35/18/73/965351873.db2.gz DPEXZJXPKXCPGE-UHFFFAOYSA-N 0 0 276.292 1.881 20 10 CDCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC001347142115 965391757 /nfs/dbraw/zinc/39/17/57/965391757.db2.gz GVSLGADQEUSTTD-RAIGVLPGSA-N 0 0 263.293 1.139 20 10 CDCDRN Cc1nc(CNC(=O)c2ccc(C)c(O)c2O)oc1C ZINC001348792601 966178116 /nfs/dbraw/zinc/17/81/16/966178116.db2.gz KTVGGRSNEWXRQA-UHFFFAOYSA-N 0 0 276.292 1.941 20 10 CDCDRN 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ZINC000293953520 378606092 /nfs/dbraw/zinc/60/60/92/378606092.db2.gz ALXXHFBZZXIFCQ-BCJLSBFOSA-N 0 0 291.347 1.778 20 10 CDCDRN COc1c([O-])c(C[N@@H+]2CCC[C@H](O)CC2)ccc1[N+](=O)[O-] ZINC000294188936 378618195 /nfs/dbraw/zinc/61/81/95/378618195.db2.gz XGHRHCHPRASTCX-NSHDSACASA-N 0 0 296.323 1.656 20 10 CDCDRN Cc1cncc(/C=C\C(=O)N(C)c2cnccn2)c1 ZINC000493127212 253378421 /nfs/dbraw/zinc/37/84/21/253378421.db2.gz INEJIVNZQSVRQV-ARJAWSKDSA-N 0 0 254.293 1.856 20 10 CDCDRN CN(CC(=O)NC1CC1)Cc1c(O)cccc1Cl ZINC000120349947 390868789 /nfs/dbraw/zinc/86/87/89/390868789.db2.gz FJHLGEDSWWHQJI-UHFFFAOYSA-N 0 0 268.744 1.756 20 10 CDCDRN COc1ccc(N(C)C[C@@H](O)COC(C)C)c(OC)c1 ZINC000132071662 390930969 /nfs/dbraw/zinc/93/09/69/390930969.db2.gz BDJGRTNDYBJHID-GFCCVEGCSA-N 0 0 283.368 1.926 20 10 CDCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCOC1 ZINC000173205185 391103554 /nfs/dbraw/zinc/10/35/54/391103554.db2.gz AGODHPYGDNYHMC-GFCCVEGCSA-N 0 0 290.363 1.905 20 10 CDCDRN CC[C@H]1C(=O)NCCN1Cc1cc(F)cc(C(C)=O)c1O ZINC000106361395 391087995 /nfs/dbraw/zinc/08/79/95/391087995.db2.gz QHAWWGNKRWLJCM-ZDUSSCGKSA-N 0 0 294.326 1.444 20 10 CDCDRN COC[C@@H](C)CNC(=O)NCc1cccc(OC)c1O ZINC000175099083 391131964 /nfs/dbraw/zinc/13/19/64/391131964.db2.gz AORMDNFJHJZWST-JTQLQIEISA-N 0 0 282.340 1.483 20 10 CDCDRN CC(=O)N1CCC[N@H+](Cc2cccc(F)c2[O-])CC1 ZINC000160218871 391223193 /nfs/dbraw/zinc/22/31/93/391223193.db2.gz ICQWJOWBFSWGAS-UHFFFAOYSA-N 0 0 266.316 1.586 20 10 CDCDRN COc1cc([N+](=O)[O-])c(N2C[C@@H]3COC[C@@H]3C2)cc1OC ZINC000376474625 391232388 /nfs/dbraw/zinc/23/23/88/391232388.db2.gz OODXTQYJVPLDAU-AOOOYVTPSA-N 0 0 294.307 1.695 20 10 CDCDRN COCCC1(C(=O)NCc2ccc(O)c(O)c2)CCC1 ZINC000182513748 391235811 /nfs/dbraw/zinc/23/58/11/391235811.db2.gz ANEYSAGTANGSIK-UHFFFAOYSA-N 0 0 279.336 1.921 20 10 CDCDRN CCn1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cn1 ZINC000183478984 391265881 /nfs/dbraw/zinc/26/58/81/391265881.db2.gz KHYNXIAUQAJSLH-JTQLQIEISA-N 0 0 289.335 1.675 20 10 CDCDRN Cc1ccc(C(=O)N2CC[C@@H](n3cncn3)C2)c(O)c1O ZINC000364478171 391380796 /nfs/dbraw/zinc/38/07/96/391380796.db2.gz TVWQFRGVSFHGLZ-SNVBAGLBSA-N 0 0 288.307 1.085 20 10 CDCDRN CN(C)c1ccc(CN2CCOC[C@@H]2c2ncon2)cc1 ZINC000360639880 391667966 /nfs/dbraw/zinc/66/79/66/391667966.db2.gz VEZWTRDBZWRXRF-CQSZACIVSA-N 0 0 288.351 1.709 20 10 CDCDRN O=C1OC[C@H]2CN(Cc3cccc(F)c3O)CCN12 ZINC000361052176 391678909 /nfs/dbraw/zinc/67/89/09/391678909.db2.gz MBFFBAPIPIHQAM-SNVBAGLBSA-N 0 0 266.272 1.168 20 10 CDCDRN OC[C@@H]1C[C@@H](F)CN1Cc1cc(Cl)ccc1O ZINC000372638948 391859486 /nfs/dbraw/zinc/85/94/86/391859486.db2.gz LBVWTWIPKSERLN-MNOVXSKESA-N 0 0 259.708 1.950 20 10 CDCDRN C[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)n1cncn1 ZINC000040514251 260176603 /nfs/dbraw/zinc/17/66/03/260176603.db2.gz JMKHLCSNBXCCOR-CYBMUJFWSA-N 0 0 299.378 1.756 20 10 CDCDRN CC1(C)[C@H](NC(=O)Cc2ccc(N)cc2)[C@@H]2CCO[C@@H]21 ZINC000159540503 261188234 /nfs/dbraw/zinc/18/82/34/261188234.db2.gz CRWQJEYYLGSQDS-CFVMTHIKSA-N 0 0 274.364 1.741 20 10 CDCDRN Cc1nn(C)c(C)c1CNC(=O)c1ccc(C)c(O)c1O ZINC000182527369 261941759 /nfs/dbraw/zinc/94/17/59/261941759.db2.gz PPGUALFWARCRPN-UHFFFAOYSA-N 0 0 289.335 1.687 20 10 CDCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@]1(CO)CCOC1 ZINC000184194785 262272365 /nfs/dbraw/zinc/27/23/65/262272365.db2.gz PXSNYQGEXMGEHL-GFCCVEGCSA-N 0 0 292.162 1.940 20 10 CDCDRN COC(=O)[C@]1(C)CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000272447883 263004603 /nfs/dbraw/zinc/00/46/03/263004603.db2.gz PEVCVJQQCSTBGH-CQSZACIVSA-N 0 0 267.300 1.916 20 10 CDCDRN Cc1ccc(C(=O)NC[C@@H]2CSCCS2)c(O)c1O ZINC000272546630 263006114 /nfs/dbraw/zinc/00/61/14/263006114.db2.gz ACDYCFIQGOWTME-SECBINFHSA-N 0 0 299.417 1.985 20 10 CDCDRN Nc1ccc(CC(=O)N2CC[C@@]3(CCOC3)C2)cc1 ZINC000162124554 264311325 /nfs/dbraw/zinc/31/13/25/264311325.db2.gz UVFJKVOQDZHZPI-OAHLLOKOSA-N 0 0 260.337 1.450 20 10 CDCDRN CC(=O)c1cc(Cl)cc(CN(C)[C@@H]2COC[C@H]2O)c1O ZINC000285709136 278243853 /nfs/dbraw/zinc/24/38/53/278243853.db2.gz WGSNZPDCSFPTEK-CHWSQXEVSA-N 0 0 299.754 1.440 20 10 CDCDRN COC[C@H](CO)[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000290224392 293113294 /nfs/dbraw/zinc/11/32/94/293113294.db2.gz RCUZQCPEJZDFDE-SFYZADRCSA-N 0 0 261.268 1.328 20 10 CDCDRN COC(C)(C)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001591314734 1173602101 /nfs/dbraw/zinc/60/21/01/1173602101.db2.gz REAJKJSWDVRIHT-VIFPVBQESA-N 0 0 291.355 1.648 20 10 CDCDRN C[C@H]1C[C@H](C(=O)N2CCOc3cc(N(C)C)ccc32)CO1 ZINC000439157180 330734799 /nfs/dbraw/zinc/73/47/99/330734799.db2.gz NBQXHGJXVCXQHO-RYUDHWBXSA-N 0 0 290.363 1.903 20 10 CDCDRN CC(=O)c1cc(F)cc(CN(CCO)CC(F)F)c1O ZINC000194837819 331063259 /nfs/dbraw/zinc/06/32/59/331063259.db2.gz QUHYQZLVJYQXOH-UHFFFAOYSA-N 0 0 291.269 1.793 20 10 CDCDRN O=C(/C=C/c1cnccn1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000491115620 332151129 /nfs/dbraw/zinc/15/11/29/332151129.db2.gz AMQQOVYLNHCOQJ-DUXPYHPUSA-N 0 0 296.286 1.987 20 10 CDCDRN O=C(/C=C/c1cccnc1)N1CCNC(=O)c2ccccc21 ZINC000491970402 332377726 /nfs/dbraw/zinc/37/77/26/332377726.db2.gz CQFKWAWUPXEPTK-BQYQJAHWSA-N 0 0 293.326 1.871 20 10 CDCDRN CN1CCN(C(=O)/C=C/c2cnccn2)c2cccnc21 ZINC000492070885 332381565 /nfs/dbraw/zinc/38/15/65/332381565.db2.gz WOTDPCWNAHKDTL-SNAWJCMRSA-N 0 0 281.319 1.368 20 10 CDCDRN Cc1c[nH]nc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000669606865 483000720 /nfs/dbraw/zinc/00/07/20/483000720.db2.gz HPYOLFCZZPDBRQ-UHFFFAOYSA-N 0 0 286.335 1.823 20 10 CDCDRN O=S(=O)(Nc1ccc(O)cc1F)C1CCOCC1 ZINC000085203923 1161339594 /nfs/dbraw/zinc/33/95/94/1161339594.db2.gz YVUYMKJBKHPAAW-UHFFFAOYSA-N 0 0 275.301 1.452 20 10 CDCDRN CCCNC(=O)CCC(=O)NCc1ccccc1O ZINC000264656326 519868899 /nfs/dbraw/zinc/86/88/99/519868899.db2.gz HDVLPYDJXJOHMV-UHFFFAOYSA-N 0 0 264.325 1.315 20 10 CDCDRN CCOC(=O)CN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000265993981 520747426 /nfs/dbraw/zinc/74/74/26/520747426.db2.gz KZIFBFWGQBNUEO-UHFFFAOYSA-N 0 0 283.324 1.712 20 10 CDCDRN CCOc1ccc(O)c(CN[C@@H](C)c2ncn(C)n2)c1 ZINC000275794325 521155331 /nfs/dbraw/zinc/15/53/31/521155331.db2.gz JICUROWZUGQJLQ-JTQLQIEISA-N 0 0 276.340 1.770 20 10 CDCDRN CN(C)c1ccc(CN(C)C(=O)C2(C)COC2)cc1 ZINC000272869588 522162162 /nfs/dbraw/zinc/16/21/62/522162162.db2.gz UJGUDMMYWUXIBZ-UHFFFAOYSA-N 0 0 262.353 1.748 20 10 CDCDRN CN(C)c1ccc(CNC(=O)C(=O)C(C)(C)C)cc1 ZINC000265040640 522184423 /nfs/dbraw/zinc/18/44/23/522184423.db2.gz MKQUDSQIKPNWSH-UHFFFAOYSA-N 0 0 262.353 1.984 20 10 CDCDRN CN(C)c1ccc(CNC(=O)NC[C@@H]2CCOC2)cc1 ZINC000042309539 522197384 /nfs/dbraw/zinc/19/73/84/522197384.db2.gz PPQGMQNSGXCVMX-ZDUSSCGKSA-N 0 0 277.368 1.588 20 10 CDCDRN CC[C@H](COC)NC(=O)NCc1cccc(OC)c1O ZINC000074370796 522250037 /nfs/dbraw/zinc/25/00/37/522250037.db2.gz MZKALTRUCJTBCX-LLVKDONJSA-N 0 0 282.340 1.625 20 10 CDCDRN CCc1nnc(CN[C@H](C)c2cc(OC)ccc2O)[nH]1 ZINC000160415131 522353094 /nfs/dbraw/zinc/35/30/94/522353094.db2.gz YAIHUSUUQNGEOP-SECBINFHSA-N 0 0 276.340 1.932 20 10 CDCDRN COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C1CC1 ZINC000278554430 522751372 /nfs/dbraw/zinc/75/13/72/522751372.db2.gz ZPRRVGHYEAWAMU-NSHDSACASA-N 0 0 296.323 1.824 20 10 CDCDRN COC[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)CCO1 ZINC000079463823 522870590 /nfs/dbraw/zinc/87/05/90/522870590.db2.gz RXWJHYMCFSGDDO-CYBMUJFWSA-N 0 0 297.326 1.581 20 10 CDCDRN CO[C@@H](C)CS(=O)(=O)NCc1ccc(N(C)C)cc1 ZINC000192886154 523424104 /nfs/dbraw/zinc/42/41/04/523424104.db2.gz QPRZHUALZRNDSM-NSHDSACASA-N 0 0 286.397 1.207 20 10 CDCDRN CN1CCCc2cc(CNC(=O)c3ccn[nH]3)ccc21 ZINC000058770168 523862136 /nfs/dbraw/zinc/86/21/36/523862136.db2.gz RUZCRTSDDCVDOM-UHFFFAOYSA-N 0 0 270.336 1.722 20 10 CDCDRN CO[C@H](C)CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000189613917 523882164 /nfs/dbraw/zinc/88/21/64/523882164.db2.gz CQMCANKUJNPVRL-OTQAPUNGSA-N 0 0 251.282 1.262 20 10 CDCDRN CO[C@H]1COC[C@@H]1[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000290296315 524009577 /nfs/dbraw/zinc/00/95/77/524009577.db2.gz YJCFYBOYPUYVBH-GGVZMXCHSA-N 0 0 273.279 1.735 20 10 CDCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCC(O)CC1 ZINC000280210765 524697682 /nfs/dbraw/zinc/69/76/82/524697682.db2.gz GBNCZZLDPOFMEG-QFWMXSHPSA-N 0 0 293.363 1.696 20 10 CDCDRN C[C@H]1C[C@H](CNC(=O)c2cccc(O)c2O)CCO1 ZINC000279877386 524897033 /nfs/dbraw/zinc/89/70/33/524897033.db2.gz RKMSVPDFOVIYGO-VHSXEESVSA-N 0 0 265.309 1.643 20 10 CDCDRN COc1cncc(C(=O)NCc2ccc(N(C)C)cc2)n1 ZINC000276709987 524917289 /nfs/dbraw/zinc/91/72/89/524917289.db2.gz XTFIHTWNDFGTTJ-UHFFFAOYSA-N 0 0 286.335 1.481 20 10 CDCDRN C[C@H]1C[C@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000049249462 524956452 /nfs/dbraw/zinc/95/64/52/524956452.db2.gz PWTMHOWATNMLRC-IUCAKERBSA-N 0 0 298.364 1.150 20 10 CDCDRN C[C@H](O)CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000278748167 525714682 /nfs/dbraw/zinc/71/46/82/525714682.db2.gz WAAGMFSBHVUYEW-VIFPVBQESA-N 0 0 254.286 1.551 20 10 CDCDRN C[C@@H](OC[C@H]1CCCO1)C(=O)NCc1ccc(N)cc1 ZINC000297136464 525911549 /nfs/dbraw/zinc/91/15/49/525911549.db2.gz HUEYVXKTNNSGEJ-BXUZGUMPSA-N 0 0 278.352 1.469 20 10 CDCDRN Cc1noc(OCC(=O)NCc2ccc(N(C)C)cc2)n1 ZINC000264541855 526642255 /nfs/dbraw/zinc/64/22/55/526642255.db2.gz QUELFGRIZBWSOR-UHFFFAOYSA-N 0 0 290.323 1.139 20 10 CDCDRN O=C1NC[C@H]2CN(Cc3cc(Cl)ccc3O)CCN12 ZINC000156062702 527077398 /nfs/dbraw/zinc/07/73/98/527077398.db2.gz CHOOSIFWYAMBEY-NSHDSACASA-N 0 0 281.743 1.255 20 10 CDCDRN Cn1nc(NC(=O)c2cccc(O)c2O)cc1C1CC1 ZINC000290971797 527556783 /nfs/dbraw/zinc/55/67/83/527556783.db2.gz QVYLVGHUQJTLSF-UHFFFAOYSA-N 0 0 273.292 1.961 20 10 CDCDRN Cc1cc(O)c(C[NH2+]C[C@@]2(C(=O)[O-])CCOC2)c(Cl)c1 ZINC001600286150 1174438790 /nfs/dbraw/zinc/43/87/90/1174438790.db2.gz MAIUULYRNNULGW-AWEZNQCLSA-N 0 0 299.754 1.935 20 10 CDCDRN Cc1noc([C@@H](C)NC(=O)NCc2ccccc2O)n1 ZINC000726250726 574494795 /nfs/dbraw/zinc/49/47/95/574494795.db2.gz BLGRGVNNOSWGGT-MRVPVSSYSA-N 0 0 276.296 1.644 20 10 CDCDRN Cc1noc(CNC(=O)NCc2ccc(N(C)C)cc2)n1 ZINC000727162695 574553245 /nfs/dbraw/zinc/55/32/45/574553245.db2.gz SEDGAPLVIVVZJL-UHFFFAOYSA-N 0 0 289.339 1.443 20 10 CDCDRN O=C(C1=CC(=O)CS1)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000750538395 574602016 /nfs/dbraw/zinc/60/20/16/574602016.db2.gz HJTTWHCXBRADLE-ZJUUUORDSA-N 0 0 267.350 1.952 20 10 CDCDRN C[C@@H](CNC(=O)C1=CC(=O)CS1)Cn1cccn1 ZINC000731871521 575067133 /nfs/dbraw/zinc/06/71/33/575067133.db2.gz HLMCGWIRMGIXEJ-VIFPVBQESA-N 0 0 265.338 1.716 20 10 CDCDRN O=C(C1=CC(=O)CS1)N1CCN(c2nccs2)CC1 ZINC000731866724 575068402 /nfs/dbraw/zinc/06/84/02/575068402.db2.gz XCCZCPVLTOVLJO-UHFFFAOYSA-N 0 0 295.389 1.873 20 10 CDCDRN O=C(COC(=O)C1=CC(=O)CS1)NC1CCCC1 ZINC000731912247 575070379 /nfs/dbraw/zinc/07/03/79/575070379.db2.gz RRZKTCHFXIVCSC-UHFFFAOYSA-N 0 0 269.322 1.669 20 10 CDCDRN NC(=O)c1cccc(CCNC(=O)C2=CC(=O)CS2)c1 ZINC000732283269 575086772 /nfs/dbraw/zinc/08/67/72/575086772.db2.gz UPCCNPKXZYUDBA-UHFFFAOYSA-N 0 0 290.344 1.525 20 10 CDCDRN CN(C(=O)/C=C\c1ccc(O)c(O)c1)c1ccn(C)n1 ZINC000774177807 575186892 /nfs/dbraw/zinc/18/68/92/575186892.db2.gz WBARDSYTOOMGJF-XQRVVYSFSA-N 0 0 273.292 1.508 20 10 CDCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cnc[nH]1 ZINC000734558421 575359132 /nfs/dbraw/zinc/35/91/32/575359132.db2.gz TZIHLBHJQHKXSC-UHFFFAOYSA-N 0 0 258.325 1.714 20 10 CDCDRN O=C(C1=CC(=O)CS1)N1CCOC2(CCOCC2)CC1 ZINC000769652172 575367571 /nfs/dbraw/zinc/36/75/71/575367571.db2.gz COBQAQBRJILBLC-UHFFFAOYSA-N 0 0 297.376 1.865 20 10 CDCDRN O=C([O-])[C@@H]1C[C@@H](O)C[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001601770483 1174997911 /nfs/dbraw/zinc/99/79/11/1174997911.db2.gz XDSQBUVOSSYXNU-MWLCHTKSSA-N 0 0 285.727 1.313 20 10 CDCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1ncccn1 ZINC000735852054 575519992 /nfs/dbraw/zinc/51/99/92/575519992.db2.gz GVZUQGQCWQCVOB-UHFFFAOYSA-N 0 0 298.346 1.243 20 10 CDCDRN CN(C)C(=O)CCCC(=O)NCc1ccccc1O ZINC000735855791 575521140 /nfs/dbraw/zinc/52/11/40/575521140.db2.gz QHMHZTLUMLOTAG-UHFFFAOYSA-N 0 0 264.325 1.267 20 10 CDCDRN COc1ccc2c(c1)CCCN2CCN1C(=O)CCC1=O ZINC000771620206 575597538 /nfs/dbraw/zinc/59/75/38/575597538.db2.gz DHZWHDLTAHMCAK-UHFFFAOYSA-N 0 0 288.347 1.597 20 10 CDCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCN(C)C2=O)cc1 ZINC000771946964 575640672 /nfs/dbraw/zinc/64/06/72/575640672.db2.gz MVULZPBLURCTKV-CQSZACIVSA-N 0 0 289.379 1.189 20 10 CDCDRN C[C@H](NC(=O)c1cn(C)cn1)c1ccc(N(C)C)cc1 ZINC000773023765 575774578 /nfs/dbraw/zinc/77/45/78/575774578.db2.gz KENJJBRMULSNJE-NSHDSACASA-N 0 0 272.352 1.977 20 10 CDCDRN COCC1(NC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000765302661 576006638 /nfs/dbraw/zinc/00/66/38/576006638.db2.gz CYOJMXZCEUPMPG-UHFFFAOYSA-N 0 0 277.368 1.731 20 10 CDCDRN CCOc1ccc(N(C)CC(=O)N2CCO[C@@H](C)C2)cc1 ZINC000739923491 576398570 /nfs/dbraw/zinc/39/85/70/576398570.db2.gz GUXJWCLMAXBHBW-ZDUSSCGKSA-N 0 0 292.379 1.769 20 10 CDCDRN CCOC(=O)[C@H](C)OC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000759577554 576406331 /nfs/dbraw/zinc/40/63/31/576406331.db2.gz BDQIDLMJFOBLMJ-IWGCBNPKSA-N 0 0 280.276 1.606 20 10 CDCDRN CC(C)Oc1ccc(N(C)Cc2nnnn2C)cc1 ZINC000759933821 576445558 /nfs/dbraw/zinc/44/55/58/576445558.db2.gz QTFZNHGFABBEBF-UHFFFAOYSA-N 0 0 261.329 1.634 20 10 CDCDRN C[C@@]1(CO)CCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000760095249 576457247 /nfs/dbraw/zinc/45/72/47/576457247.db2.gz LMLIHNSHYHFFQN-DRDHIDPGSA-N 0 0 277.320 1.484 20 10 CDCDRN CN(Cc1ccccc1O)c1ncnc2c1ncn2C ZINC000760262463 576471127 /nfs/dbraw/zinc/47/11/27/576471127.db2.gz MINHHLPYSDJMJV-UHFFFAOYSA-N 0 0 269.308 1.705 20 10 CDCDRN Cc1c(C(=O)NCc2ccc(N(C)C)cc2C)nnn1C ZINC000741567378 576564790 /nfs/dbraw/zinc/56/47/90/576564790.db2.gz QPSXYPKAWPUQRJ-UHFFFAOYSA-N 0 0 287.367 1.428 20 10 CDCDRN Cc1cn2ccnc(C(=O)NCc3ccccc3O)c2n1 ZINC000762098030 576619958 /nfs/dbraw/zinc/61/99/58/576619958.db2.gz WDURICRKFGPILV-UHFFFAOYSA-N 0 0 282.303 1.673 20 10 CDCDRN CC(C)(CO)CCCNC(=O)NCc1ccccc1O ZINC000745789191 576742401 /nfs/dbraw/zinc/74/24/01/576742401.db2.gz HAPMUKQARXIKJY-UHFFFAOYSA-N 0 0 280.368 1.990 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)c1cnc2c(cnn2C)c1 ZINC000747511160 576873137 /nfs/dbraw/zinc/87/31/37/576873137.db2.gz GKBNTXHNJFVXQN-UHFFFAOYSA-N 0 0 296.330 1.946 20 10 CDCDRN COC[C@](C)(O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000754976340 576924051 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CDCDRN COC(C[N@H+](C)Cc1ccc(C(=O)[O-])cc1O)OC ZINC001231452154 942896730 /nfs/dbraw/zinc/89/67/30/942896730.db2.gz BSIWZUIJMCHFBK-UHFFFAOYSA-N 0 0 269.297 1.141 20 10 CDCDRN CC[N@H+](Cc1ccc(C(=O)[O-])cc1O)C1CN(C)C1 ZINC001231453183 942896859 /nfs/dbraw/zinc/89/68/59/942896859.db2.gz DBZJXDSPAHEHRC-UHFFFAOYSA-N 0 0 264.325 1.226 20 10 CDCDRN CC(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001231566376 942931871 /nfs/dbraw/zinc/93/18/71/942931871.db2.gz HUAISKZRNSWYTC-ZDUSSCGKSA-N 0 0 292.335 1.143 20 10 CDCDRN CO[C@@H](C)C1C[NH+](Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001231566427 942932780 /nfs/dbraw/zinc/93/27/80/942932780.db2.gz JXBHYJAYKRQSPR-VIFPVBQESA-N 0 0 265.309 1.557 20 10 CDCDRN COc1cc(CN2CC[C@@](F)(CO)C2)c(O)cc1O ZINC001231634657 942948793 /nfs/dbraw/zinc/94/87/93/942948793.db2.gz QGPROIFXPBKRGP-ZDUSSCGKSA-N 0 0 271.288 1.013 20 10 CDCDRN COc1cc(CN2CC3(CCO3)C2)c(O)cc1O ZINC001231637434 942953322 /nfs/dbraw/zinc/95/33/22/942953322.db2.gz MNPQNJZHQIJCNH-UHFFFAOYSA-N 0 0 251.282 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CC(C)c1ncc(C(=O)NCc2ccc(O)c(O)c2)[nH]1 ZINC001337396078 961165913 /nfs/dbraw/zinc/16/59/13/961165913.db2.gz NZMSGSBKGHIBHN-UHFFFAOYSA-N 0 0 275.308 1.874 20 10 CDCDRN O=C(N[C@H]1CN2CCC1CC2)C1=CC(=O)CS1 ZINC001337410606 961173186 /nfs/dbraw/zinc/17/31/86/961173186.db2.gz RXRJDQCGHUZEES-JTQLQIEISA-N 0 0 252.339 1.278 20 10 CDCDRN C[C@@]12COC[C@]1(C)CN(C(=O)NCc1ccc(N)cc1)C2 ZINC001338792690 961999023 /nfs/dbraw/zinc/99/90/23/961999023.db2.gz HDAWSJUIJSXCOD-IYBDPMFKSA-N 0 0 289.379 1.837 20 10 CDCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1C[NH+]2CCC1CC2 ZINC001339142813 962201261 /nfs/dbraw/zinc/20/12/61/962201261.db2.gz VAHFESCKZAXVLF-LSYFEZSPSA-N 0 0 288.347 1.321 20 10 CDCDRN O=C(c1cccc2c1CCN2)N1CCCn2nccc21 ZINC001340197373 962812349 /nfs/dbraw/zinc/81/23/49/962812349.db2.gz YJFGQJMXUAFKOD-UHFFFAOYSA-N 0 0 268.320 1.902 20 10 CDCDRN CN(C(=O)[C@@H]1CCCC(=O)N1C)c1ccc(N)cc1 ZINC001342237658 963683582 /nfs/dbraw/zinc/68/35/82/963683582.db2.gz BELOLNQQWYKNIQ-LBPRGKRZSA-N 0 0 261.325 1.243 20 10 CDCDRN CO[C@H](C(=O)NCc1cccc(O)c1O)C1CCCC1 ZINC001347233258 965432707 /nfs/dbraw/zinc/43/27/07/965432707.db2.gz GHJKTIFJNQEQSY-AWEZNQCLSA-N 0 0 279.336 1.919 20 10 CDCDRN C[C@@H](CO)CCCNC(=O)NCc1ccc(N)cc1 ZINC001353377906 967934517 /nfs/dbraw/zinc/93/45/17/967934517.db2.gz MHRWEIXUMVHIOH-LLVKDONJSA-N 0 0 265.357 1.477 20 10 CDCDRN C[C@H](NC(=O)[C@H]1CC[C@H]1C(N)=O)c1ccc(N(C)C)cc1 ZINC000847760397 968086877 /nfs/dbraw/zinc/08/68/77/968086877.db2.gz JQXPDYUFVJDTOU-GDLCADMTSA-N 0 0 289.379 1.441 20 10 CDCDRN COc1ccc(N2CCC([NH2+]C[C@@H](C)C(=O)[O-])CC2)cc1 ZINC000848638133 969271003 /nfs/dbraw/zinc/27/10/03/969271003.db2.gz PAPIBPJJSRUITP-GFCCVEGCSA-N 0 0 292.379 1.974 20 10 CDCDRN CCc1cccc(CN2CCS(=O)(=O)CC[C@H]2C)c1O ZINC000848907395 969346497 /nfs/dbraw/zinc/34/64/97/969346497.db2.gz NGJDJDCDGPVIHR-GFCCVEGCSA-N 0 0 297.420 1.964 20 10 CDCDRN Cn1nnc2c1CC[C@@H]([NH2+]Cc1cc(F)ccc1O)C2 ZINC000848926774 969357847 /nfs/dbraw/zinc/35/78/47/969357847.db2.gz ZABWPABZABDOSY-LLVKDONJSA-N 0 0 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199359313 /nfs/dbraw/zinc/35/93/13/199359313.db2.gz XNZHLOJFZFSOEI-ZDUSSCGKSA-N 0 0 298.408 1.039 20 10 CDCDRN CN1CCN(C(=O)C=Cc2c[nH]cn2)c2ccccc2C1 ZINC000492853165 366184267 /nfs/dbraw/zinc/18/42/67/366184267.db2.gz AVIHEIKLIHMASK-SREVYHEPSA-N 0 0 282.347 1.902 20 10 CDCDRN COc1ncc(/C=C/C(=O)N(C)c2ccccn2)cn1 ZINC000492654817 366176064 /nfs/dbraw/zinc/17/60/64/366176064.db2.gz UAERGDAEOUQPFA-VOTSOKGWSA-N 0 0 270.292 1.556 20 10 CDCDRN C[C@@H](CO)[NH2+]Cc1cccc(Br)c1[O-] ZINC000042411921 357065965 /nfs/dbraw/zinc/06/59/65/357065965.db2.gz FXKDLBIULMEGDN-ZETCQYMHSA-N 0 0 260.131 1.625 20 10 CDCDRN CCOCCN(CC)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181054461 357308346 /nfs/dbraw/zinc/30/83/46/357308346.db2.gz HJMRZCYXVKFCNH-SOFGYWHQSA-N 0 0 279.336 1.996 20 10 CDCDRN CC(C)(C)[S@@](=O)CCNC(=O)c1cccc(O)c1O ZINC000187089269 357726458 /nfs/dbraw/zinc/72/64/58/357726458.db2.gz KXGMGANMBBVZIE-IBGZPJMESA-N 0 0 285.365 1.375 20 10 CDCDRN CCC[C@]1(C)C(=O)NCC[N@H+]1Cc1ccccc1O ZINC000189038560 357964828 /nfs/dbraw/zinc/96/48/28/357964828.db2.gz XWODXPFGFDBGFH-OAHLLOKOSA-N 0 0 262.353 1.883 20 10 CDCDRN CCC[C@@]1(C)C(=O)NCC[N@H+]1Cc1ccccc1O ZINC000189038585 357964857 /nfs/dbraw/zinc/96/48/57/357964857.db2.gz XWODXPFGFDBGFH-HNNXBMFYSA-N 0 0 262.353 1.883 20 10 CDCDRN CCOCCOCC[N@H+](C)Cc1ccccc1O ZINC000191571896 358139517 /nfs/dbraw/zinc/13/95/17/358139517.db2.gz RMOLKLVRKYLASF-UHFFFAOYSA-N 0 0 253.342 1.877 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)CCc1ccncn1 ZINC000191845613 358157111 /nfs/dbraw/zinc/15/71/11/358157111.db2.gz QZOIEZHJDQGVIL-UHFFFAOYSA-N 0 0 271.320 1.773 20 10 CDCDRN CON(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000192371478 358194880 /nfs/dbraw/zinc/19/48/80/358194880.db2.gz YRTMTVRTGBCFGV-UHFFFAOYSA-N 0 0 297.330 1.365 20 10 CDCDRN CC(=O)N1CCC(CNC(=O)c2cccc(O)c2O)CC1 ZINC000193023049 358259327 /nfs/dbraw/zinc/25/93/27/358259327.db2.gz GVEHGCAYIGQMFO-UHFFFAOYSA-N 0 0 292.335 1.086 20 10 CDCDRN CC(C)(C[NH2+][C@@H]1CCc2cccc(O)c21)OCCO ZINC000297480656 200205662 /nfs/dbraw/zinc/20/56/62/200205662.db2.gz ZGVRLKRGFGAPET-GFCCVEGCSA-N 0 0 265.353 1.757 20 10 CDCDRN COC(=O)C[C@@H](C)C(=O)NCc1ccccc1O ZINC000268237332 364011497 /nfs/dbraw/zinc/01/14/97/364011497.db2.gz LLLQRBZXEIMLFK-SECBINFHSA-N 0 0 251.282 1.208 20 10 CDCDRN Cc1cc(C(=O)NC[C@H](O)C2CC2)c(C)n1-c1ccccn1 ZINC000268445227 364051058 /nfs/dbraw/zinc/05/10/58/364051058.db2.gz UUQHNCZVANTMCA-HNNXBMFYSA-N 0 0 299.374 1.990 20 10 CDCDRN CCN(C)C(=O)CN(C)c1ccc2c(c1)OCO2 ZINC000270387531 364578217 /nfs/dbraw/zinc/57/82/17/364578217.db2.gz XMSFLLIFFAINQV-UHFFFAOYSA-N 0 0 250.298 1.330 20 10 CDCDRN CCOC(=O)CN(C(=O)c1ccc(C)c(O)c1O)C(C)C ZINC000272730286 365369355 /nfs/dbraw/zinc/36/93/55/365369355.db2.gz GVGDHOWTNMACRH-UHFFFAOYSA-N 0 0 295.335 1.820 20 10 CDCDRN Oc1cc2c(cc1CN1CCCC3(C1)OCCO3)OCO2 ZINC000273709995 365517911 /nfs/dbraw/zinc/51/79/11/365517911.db2.gz GAXQCXZFWGFGEX-UHFFFAOYSA-N 0 0 293.319 1.460 20 10 CDCDRN [O-]c1c(F)cccc1C[N@@H+]1CCCC2(C1)OCCO2 ZINC000273794228 365523239 /nfs/dbraw/zinc/52/32/39/365523239.db2.gz VVPWMPMGCQKKNT-UHFFFAOYSA-N 0 0 267.300 1.870 20 10 CDCDRN C[C@@H]([NH2+]CC(C)(C)C(N)=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273497075 365501660 /nfs/dbraw/zinc/50/16/60/365501660.db2.gz PIEJMJDJQGYVQI-MRVPVSSYSA-N 0 0 281.312 1.463 20 10 CDCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCC(=O)N(C)C)c1 ZINC000273555319 365506957 /nfs/dbraw/zinc/50/69/57/365506957.db2.gz GTCFKENDTMEQJR-SNVBAGLBSA-N 0 0 294.351 1.308 20 10 CDCDRN COCCNC(=O)NCCCSc1nccs1 ZINC000075108339 367125120 /nfs/dbraw/zinc/12/51/20/367125120.db2.gz MEUAWRDWLNHBOM-UHFFFAOYSA-N 0 0 275.399 1.571 20 10 CDCDRN COCC[C@H](CO)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000281179679 367600130 /nfs/dbraw/zinc/60/01/30/367600130.db2.gz HQFFUIKREUPWOL-SNVBAGLBSA-N 0 0 259.733 1.533 20 10 CDCDRN CCCOc1ccc(C[N@@H+]2C[C@H](OC)C[C@H]2CO)c(O)c1 ZINC000284549275 368531081 /nfs/dbraw/zinc/53/10/81/368531081.db2.gz LIUKDGFEZIVOHX-DZGCQCFKSA-N 0 0 295.379 1.763 20 10 CDCDRN CO[C@H](C)CN(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000285468835 368631803 /nfs/dbraw/zinc/63/18/03/368631803.db2.gz ASIOVRWGPQWWNO-GFCCVEGCSA-N 0 0 279.384 1.929 20 10 CDCDRN CC[C@@H]([NH2+]CCS(C)(=O)=O)c1ccc(F)cc1[O-] ZINC000285910518 368672381 /nfs/dbraw/zinc/67/23/81/368672381.db2.gz DFLJRLYWKXEAMP-LLVKDONJSA-N 0 0 275.345 1.617 20 10 CDCDRN CN(Cc1ccccc1O)S(=O)(=O)N1CCCC1 ZINC000269778316 371024308 /nfs/dbraw/zinc/02/43/08/371024308.db2.gz JWMPPVYMBRIGOR-UHFFFAOYSA-N 0 0 270.354 1.165 20 10 CDCDRN COC(=O)c1cnc(SCCc2cnn(C)c2)s1 ZINC000295428254 371271346 /nfs/dbraw/zinc/27/13/46/371271346.db2.gz YWTWRLMQPFEDEK-UHFFFAOYSA-N 0 0 283.378 1.998 20 10 CDCDRN CC(C)c1nnc(CNC(=O)c2c(F)ccc(O)c2O)[nH]1 ZINC000295511673 371317441 /nfs/dbraw/zinc/31/74/41/371317441.db2.gz UFDIGJIVBIIZHR-UHFFFAOYSA-N 0 0 294.286 1.408 20 10 CDCDRN CC(C)OC[C@@H](O)CN1CCOc2cc(N(C)C)ccc21 ZINC000119954734 390861620 /nfs/dbraw/zinc/86/16/20/390861620.db2.gz KJPUXOVNYKLXJA-AWEZNQCLSA-N 0 0 294.395 1.737 20 10 CDCDRN C[C@@H](C(=O)N(C)Cc1ccccc1O)N1CCSCC1 ZINC000133160294 390934971 /nfs/dbraw/zinc/93/49/71/390934971.db2.gz DPYTZQVGJDMLQM-LBPRGKRZSA-N 0 0 294.420 1.788 20 10 CDCDRN COc1cccc(CN(C)[C@@H]2CCS(=O)(=O)C2)c1O ZINC000132409355 390896195 /nfs/dbraw/zinc/89/61/95/390896195.db2.gz VASGDNIGVMDWBR-LLVKDONJSA-N 0 0 285.365 1.020 20 10 CDCDRN C[C@H](C(=O)NCc1ccc(O)c(O)c1)N1CCSCC1 ZINC000182531165 391236436 /nfs/dbraw/zinc/23/64/36/391236436.db2.gz YCSSXLSSRFIEDH-SNVBAGLBSA-N 0 0 296.392 1.151 20 10 CDCDRN Cc1ccc(C(=O)N(C)[C@H]2CCSC2)c(O)c1O ZINC000182907965 391246994 /nfs/dbraw/zinc/24/69/94/391246994.db2.gz IMBWCHKCODTQBJ-VIFPVBQESA-N 0 0 267.350 1.984 20 10 CDCDRN CCS(=O)(=O)C[C@H](C)N(C)Cc1ccccc1O ZINC000179575390 391211598 /nfs/dbraw/zinc/21/15/98/391211598.db2.gz STURPCRPMRHOHM-NSHDSACASA-N 0 0 271.382 1.647 20 10 CDCDRN CC(C)NC(=O)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273377076 391324793 /nfs/dbraw/zinc/32/47/93/391324793.db2.gz HNEREYHUISRALW-SNVBAGLBSA-N 0 0 295.339 1.866 20 10 CDCDRN 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/nfs/dbraw/zinc/35/00/13/784350013.db2.gz BIUUWXIRLOMCFB-IAQYHMDHSA-N 0 0 261.321 1.947 20 10 CDCDRN Cc1ccc(C(=O)O[C@@H](C)c2nncn2C)c(O)c1O ZINC000805433283 784351618 /nfs/dbraw/zinc/35/16/18/784351618.db2.gz PVGMCNRLZJOGCL-QMMMGPOBSA-N 0 0 277.280 1.453 20 10 CDCDRN COc1cc(C(=O)OCC(=O)C(C)=O)cc(OC)c1C ZINC000808487520 784368801 /nfs/dbraw/zinc/36/88/01/784368801.db2.gz NQHXQABTYDEQON-UHFFFAOYSA-N 0 0 280.276 1.327 20 10 CDCDRN CCS(=O)(=O)C[C@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882995645 784393350 /nfs/dbraw/zinc/39/33/50/784393350.db2.gz HOVOUFAFIDYWHK-QMMMGPOBSA-N 0 0 293.335 1.583 20 10 CDCDRN CCOc1ccc(O)c(CN[C@H](COC)C(=O)OC)c1 ZINC000789574678 784445959 /nfs/dbraw/zinc/44/59/59/784445959.db2.gz FHDYMKBNFLWHGY-GFCCVEGCSA-N 0 0 283.324 1.069 20 10 CDCDRN CN(C)c1cc(F)c(CN(C)[C@H]2CCN(C)C2=O)cc1F ZINC000862247630 784493920 /nfs/dbraw/zinc/49/39/20/784493920.db2.gz KGFYIVUUDFGGAE-ZDUSSCGKSA-N 0 0 297.349 1.693 20 10 CDCDRN CC(=O)C(=O)COC(=O)CCCOc1cccc(C)c1 ZINC000808484123 784502804 /nfs/dbraw/zinc/50/28/04/784502804.db2.gz KBMFZQJYXHDJAB-UHFFFAOYSA-N 0 0 278.304 1.855 20 10 CDCDRN O=C(c1cccc(O)c1O)N(CCO)Cc1ccccc1 ZINC000126375324 784647843 /nfs/dbraw/zinc/64/78/43/784647843.db2.gz WPPZVOQCGBLXBL-UHFFFAOYSA-N 0 0 287.315 1.733 20 10 CDCDRN COC[C@H](C)n1ccc(NC(=O)Cc2ccc(N)cc2)n1 ZINC000832002301 784680115 /nfs/dbraw/zinc/68/01/15/784680115.db2.gz GZGUIMFIDGSLID-NSHDSACASA-N 0 0 288.351 1.854 20 10 CDCDRN Nc1ccc(NC(=O)C(=O)N(CC2CC2)CC2CC2)cc1 ZINC000841038694 784800869 /nfs/dbraw/zinc/80/08/69/784800869.db2.gz OJZKPGVWYLBCQW-UHFFFAOYSA-N 0 0 287.363 1.856 20 10 CDCDRN [NH3+]C[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)CCO1 ZINC000843065786 784831155 /nfs/dbraw/zinc/83/11/55/784831155.db2.gz PPADHISGXZOORY-MRVPVSSYSA-N 0 0 274.723 1.344 20 10 CDCDRN C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1c([O-])cccc1F ZINC000886629287 784839308 /nfs/dbraw/zinc/83/93/08/784839308.db2.gz AASARMPGNDLAFW-SCZZXKLOSA-N 0 0 280.299 1.329 20 10 CDCDRN COc1ccc(O)c(CNC(=O)c2cscn2)c1 ZINC000114540927 784878113 /nfs/dbraw/zinc/87/81/13/784878113.db2.gz HDFIHKQLUIZRPW-UHFFFAOYSA-N 0 0 264.306 1.787 20 10 CDCDRN C[C@H]1C[NH2+]CCN1Cc1cccc(Br)c1[O-] ZINC000843048044 784879887 /nfs/dbraw/zinc/87/98/87/784879887.db2.gz JYSREGQTSCLXIN-VIFPVBQESA-N 0 0 285.185 1.948 20 10 CDCDRN COc1ccc(N(C)CCN2C(=O)NC(C)(C)C2=O)cc1 ZINC000844353271 785325704 /nfs/dbraw/zinc/32/57/04/785325704.db2.gz KADMBTOVVMPYST-UHFFFAOYSA-N 0 0 291.351 1.462 20 10 CDCDRN COc1cc(O)c(CN[C@@H](C)c2ncn(C)n2)cc1OC ZINC000783706579 785404176 /nfs/dbraw/zinc/40/41/76/785404176.db2.gz PSOVYBHAZNLXGB-VIFPVBQESA-N 0 0 292.339 1.389 20 10 CDCDRN CO[C@H]1CC(=O)N(CN(C)Cc2ccc(N(C)C)cc2)C1 ZINC000189040798 785460439 /nfs/dbraw/zinc/46/04/39/785460439.db2.gz KGZLMXRXXYRHRT-HNNXBMFYSA-N 0 0 291.395 1.389 20 10 CDCDRN O=C(NC1([C@@H]2CCCCO2)CC1)c1cccc(O)c1O ZINC000887090312 785490535 /nfs/dbraw/zinc/49/05/35/785490535.db2.gz IVOXBNSUJVCGMS-LBPRGKRZSA-N 0 0 277.320 1.929 20 10 CDCDRN Cn1ncc2c1ncnc2NCc1ccc(O)c(O)c1 ZINC000119647588 785521113 /nfs/dbraw/zinc/52/11/13/785521113.db2.gz GAASVLAFOOLOOY-UHFFFAOYSA-N 0 0 271.280 1.387 20 10 CDCDRN COc1ccc(CNC(=O)C2(F)CCOCC2)c(O)c1 ZINC000867955489 785598417 /nfs/dbraw/zinc/59/84/17/785598417.db2.gz BCFIWIKBLUKBNW-UHFFFAOYSA-N 0 0 283.299 1.536 20 10 CDCDRN O=C(CC1CC1)OCC(=O)c1ccc(O)c(O)c1 ZINC000782725673 785603296 /nfs/dbraw/zinc/60/32/96/785603296.db2.gz CZKKQFSVCAKNHW-UHFFFAOYSA-N 0 0 250.250 1.624 20 10 CDCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1CCc2cccnc21 ZINC000830554234 785645036 /nfs/dbraw/zinc/64/50/36/785645036.db2.gz IHMFGVSVCTZHJD-LBPRGKRZSA-N 0 0 284.315 1.839 20 10 CDCDRN COc1ccc(CNC(=O)[C@@H](O)c2ccccc2)c(O)c1 ZINC000794379614 785708050 /nfs/dbraw/zinc/70/80/50/785708050.db2.gz RPZFWXGLZAMNNC-HNNXBMFYSA-N 0 0 287.315 1.751 20 10 CDCDRN COCCN1C(=O)C2(CC2)N[C@H]1c1cccc(OC)c1O ZINC000840838969 785761191 /nfs/dbraw/zinc/76/11/91/785761191.db2.gz UWPJHWJQUIWFMR-CYBMUJFWSA-N 0 0 292.335 1.010 20 10 CDCDRN CO[C@@H]1COC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000839193655 785805248 /nfs/dbraw/zinc/80/52/48/785805248.db2.gz UTLDNWKYBRTHLT-WDEREUQCSA-N 0 0 257.717 1.549 20 10 CDCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@]2(C)CCNC2=O)c1 ZINC000821065089 785823135 /nfs/dbraw/zinc/82/31/35/785823135.db2.gz KUTAQQIFXSSXJC-BJOHPYRUSA-N 0 0 292.335 1.104 20 10 CDCDRN CCN1C(=O)C(C)(C)N[C@H]1c1ccc2c(c1)CCN2C ZINC000840832824 785825448 /nfs/dbraw/zinc/82/54/48/785825448.db2.gz HKQYOGLHOGLTNJ-CQSZACIVSA-N 0 0 273.380 1.908 20 10 CDCDRN O=C(Nc1cccc(-n2ccnn2)c1)c1cccc(O)c1O ZINC000185867804 785850141 /nfs/dbraw/zinc/85/01/41/785850141.db2.gz NKILOPHGWWDLET-UHFFFAOYSA-N 0 0 296.286 1.931 20 10 CDCDRN CCCN(Cc1ccccc1O)C(=O)Cc1nnc(C)[nH]1 ZINC000830141252 785851348 /nfs/dbraw/zinc/85/13/48/785851348.db2.gz PWTXMBQRKRITKL-UHFFFAOYSA-N 0 0 288.351 1.800 20 10 CDCDRN O=C(N[C@H](CO)c1ccc(F)cc1)c1cccc(O)c1O ZINC000790916693 785866942 /nfs/dbraw/zinc/86/69/42/785866942.db2.gz MZACUBMESGZHGJ-GFCCVEGCSA-N 0 0 291.278 1.700 20 10 CDCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1cncn1C ZINC000935949271 785884422 /nfs/dbraw/zinc/88/44/22/785884422.db2.gz WXVTWRGACPPMOW-UHFFFAOYSA-N 0 0 294.351 1.470 20 10 CDCDRN COc1nccc(/C=C2\SC(=S)N(C3CC3)C2=O)n1 ZINC000841494972 785957903 /nfs/dbraw/zinc/95/79/03/785957903.db2.gz GNBRUIAOQIIFPF-TWGQIWQCSA-N 0 0 293.373 1.849 20 10 CDCDRN COc1ccc(CNC(=O)[C@H]2CCSC2)c(O)c1 ZINC000794390786 786041123 /nfs/dbraw/zinc/04/11/23/786041123.db2.gz RBIFJIGCETUBFE-JTQLQIEISA-N 0 0 267.350 1.770 20 10 CDCDRN CCC[C@](C)(O)C(=O)NCc1cc(OC)ccc1O ZINC000159752215 786057418 /nfs/dbraw/zinc/05/74/18/786057418.db2.gz GECIARARRSGYKE-AWEZNQCLSA-N 0 0 267.325 1.568 20 10 CDCDRN CN(C)c1cc(F)c(C[N@@H+]2CC[C@H](CC(N)=O)C2)cc1F ZINC000862368527 786183451 /nfs/dbraw/zinc/18/34/51/786183451.db2.gz IYAJRJVWCTVNMJ-SNVBAGLBSA-N 0 0 297.349 1.728 20 10 CDCDRN Cn1cc(/C=C\C(=O)NCc2ccc(O)c(O)c2)cn1 ZINC000778914947 786186426 /nfs/dbraw/zinc/18/64/26/786186426.db2.gz PDQMKSSQGYAJBC-HYXAFXHYSA-N 0 0 273.292 1.161 20 10 CDCDRN Cc1ccc(O)c(CNC(=O)C[C@@H]2COC(=O)C2)c1 ZINC000862758214 786192912 /nfs/dbraw/zinc/19/29/12/786192912.db2.gz SRKKXAKQIBYMQA-JTQLQIEISA-N 0 0 263.293 1.270 20 10 CDCDRN C[C@@H](NCc1ccccc1O)c1nnnn1C1CC1 ZINC000191832020 786195013 /nfs/dbraw/zinc/19/50/13/786195013.db2.gz PLNWFSXGOQKIQK-SECBINFHSA-N 0 0 259.313 1.564 20 10 CDCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC000115281828 786213732 /nfs/dbraw/zinc/21/37/32/786213732.db2.gz QSNZSKFQQOUGHJ-CYBMUJFWSA-N 0 0 289.379 1.156 20 10 CDCDRN Cc1cc(C)n(CCC(=O)NCc2ccc(O)c(O)c2)n1 ZINC000778921444 786259459 /nfs/dbraw/zinc/25/94/59/786259459.db2.gz AZVLSXGNGPXIMM-UHFFFAOYSA-N 0 0 289.335 1.618 20 10 CDCDRN COCCNCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817964852 786293402 /nfs/dbraw/zinc/29/34/02/786293402.db2.gz LELSJZMDNFHOJJ-SNVBAGLBSA-N 0 0 283.328 1.187 20 10 CDCDRN COc1cccc(CNC(=O)C2(F)CCOCC2)c1O ZINC000866764308 786307148 /nfs/dbraw/zinc/30/71/48/786307148.db2.gz SEJFKPAZCPUVKT-UHFFFAOYSA-N 0 0 283.299 1.536 20 10 CDCDRN O=C(C[C@H]1CC(=O)N1)NCc1c(O)ccc2c1CCCC2 ZINC000830559296 786348786 /nfs/dbraw/zinc/34/87/86/786348786.db2.gz LWCJBTYEWLIGPL-NSHDSACASA-N 0 0 288.347 1.166 20 10 CDCDRN Cc1ccc(O)c(CNC(=O)C[C@H]2CCC(=O)NC2)c1 ZINC000862755505 786358601 /nfs/dbraw/zinc/35/86/01/786358601.db2.gz UOOLQQISSOIBPR-LLVKDONJSA-N 0 0 276.336 1.233 20 10 CDCDRN NC(=O)[C@H]1CCCC[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000829689732 786365763 /nfs/dbraw/zinc/36/57/63/786365763.db2.gz YPCFBDMAMHHPNL-DTWKUNHWSA-N 0 0 268.338 1.228 20 10 CDCDRN CN1CCCc2cc(CNC(=O)c3nccc(N)n3)ccc21 ZINC000865921704 786501577 /nfs/dbraw/zinc/50/15/77/786501577.db2.gz OMPXMWNLAJWOSR-UHFFFAOYSA-N 0 0 297.362 1.202 20 10 CDCDRN CC[C@@H](C)N(CC(=O)OC)C(=O)C1=CC(=O)CS1 ZINC000854333559 786798557 /nfs/dbraw/zinc/79/85/57/786798557.db2.gz WVRNMWPFPBDSIK-MRVPVSSYSA-N 0 0 271.338 1.867 20 10 CDCDRN CC[C@@H](C[C@H](C)CO)NC(=O)c1cccc(O)c1O ZINC000790911654 786807988 /nfs/dbraw/zinc/80/79/88/786807988.db2.gz TUNKHNYHXJUCET-UWVGGRQHSA-N 0 0 267.325 1.625 20 10 CDCDRN O=C(N[C@@H](CO)c1ccccc1)C1=CC(=O)CS1 ZINC000776194435 786810688 /nfs/dbraw/zinc/81/06/88/786810688.db2.gz MGVWPXYXVMDXII-NSHDSACASA-N 0 0 263.318 1.917 20 10 CDCDRN CC(=O)C(=O)CSc1nnc2[nH]c3ccccc3n21 ZINC000808011410 786814238 /nfs/dbraw/zinc/81/42/38/786814238.db2.gz VWXOUCUCJLVUBY-UHFFFAOYSA-N 0 0 274.305 1.461 20 10 CDCDRN Cc1cc(C(=O)N[C@H]2CCOC2=O)c(C)n1-c1ccccn1 ZINC000264806313 786827078 /nfs/dbraw/zinc/82/70/78/786827078.db2.gz WFISJJCWOZHAMU-ZDUSSCGKSA-N 0 0 299.330 1.534 20 10 CDCDRN COc1ccc(O)c([C@@H](C)NCc2nnc(C)[nH]2)c1 ZINC000392479046 786829619 /nfs/dbraw/zinc/82/96/19/786829619.db2.gz UKLVLVPZAQFDQN-MRVPVSSYSA-N 0 0 262.313 1.678 20 10 CDCDRN C[C@@H](CNC(=O)C1=CC(=O)CS1)c1nncn1C ZINC000807355780 786841670 /nfs/dbraw/zinc/84/16/70/786841670.db2.gz YMJIVFJBFFTZMD-ZETCQYMHSA-N 0 0 266.326 1.116 20 10 CDCDRN CC[C@@H]([NH2+][C@@H]1CCOC[C@H]1O)c1ccc(F)cc1[O-] ZINC000872140721 786890186 /nfs/dbraw/zinc/89/01/86/786890186.db2.gz WRPACHOTQAYWGK-YRGRVCCFSA-N 0 0 269.316 1.722 20 10 CDCDRN 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1.869 20 10 CDCDRN CCS(=O)(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000102414332 924881474 /nfs/dbraw/zinc/88/14/74/924881474.db2.gz GAJGQIHUYNJFBL-UHFFFAOYSA-N 0 0 298.408 1.603 20 10 CDCDRN CC(C)CSCCNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841074127 936974351 /nfs/dbraw/zinc/97/43/51/936974351.db2.gz BSSSDIYYQXLIJX-UHFFFAOYSA-N 0 0 295.408 1.713 20 10 CDCDRN C[C@H](NS(=O)(=O)Cc1cccnc1)c1ccccc1O ZINC001197477261 925147669 /nfs/dbraw/zinc/14/76/69/925147669.db2.gz QSTITYVGDIPXTH-NSHDSACASA-N 0 0 292.360 1.968 20 10 CDCDRN C[C@@H]1CCSCCN1C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841117650 936976535 /nfs/dbraw/zinc/97/65/35/936976535.db2.gz ZXEGXDGTNKUBKT-SNVBAGLBSA-N 0 0 293.392 1.561 20 10 CDCDRN C[C@@H](NC(=O)Nc1ccc(N)cc1)[C@H](C)N1CCOCC1 ZINC000841299901 936991274 /nfs/dbraw/zinc/99/12/74/936991274.db2.gz JREXHJYHLIPRAN-NEPJUHHUSA-N 0 0 292.383 1.500 20 10 CDCDRN COC(=O)C[C@H](NC(=O)Nc1ccc(N)cc1)C1CC1 ZINC000841299559 936991354 /nfs/dbraw/zinc/99/13/54/936991354.db2.gz ITBUMSJWCLQIGO-LBPRGKRZSA-N 0 0 277.324 1.732 20 10 CDCDRN CN(CCNC(=O)Nc1ccc(N)cc1)CC(F)(F)F ZINC000841299336 936991684 /nfs/dbraw/zinc/99/16/84/936991684.db2.gz AHXMDFVCIXOUFQ-UHFFFAOYSA-N 0 0 290.289 1.884 20 10 CDCDRN Nc1ccc(CCNC(=O)NCCc2ccccn2)cc1 ZINC000841506278 937005632 /nfs/dbraw/zinc/00/56/32/937005632.db2.gz INSAKAZWBAIUAR-UHFFFAOYSA-N 0 0 284.363 1.748 20 10 CDCDRN CC[C@H](NC(C)=O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000867302357 925613856 /nfs/dbraw/zinc/61/38/56/925613856.db2.gz OIFNVKSKUXGQIC-SKDRFNHKSA-N 0 0 294.351 1.060 20 10 CDCDRN Nc1cccnc1C(=O)N1Cc2cccc(O)c2C1 ZINC001152574596 925619931 /nfs/dbraw/zinc/61/99/31/925619931.db2.gz ZIPDVTSSUUNQAI-UHFFFAOYSA-N 0 0 255.277 1.525 20 10 CDCDRN CO[C@H](CNC(=O)NCCc1ccc(N)cc1)C1CC1 ZINC000841909361 937021880 /nfs/dbraw/zinc/02/18/80/937021880.db2.gz DMBLULAQYQBHCF-CQSZACIVSA-N 0 0 277.368 1.536 20 10 CDCDRN CNC(=O)[C@H]1CC12CC[NH+](Cc1cccc(F)c1[O-])CC2 ZINC001273304774 925771569 /nfs/dbraw/zinc/77/15/69/925771569.db2.gz QRLWLYDDYYRVDO-GFCCVEGCSA-N 0 0 292.354 1.879 20 10 CDCDRN C[C@@]1(NC(=O)NCCc2ccc(N)cc2)CCOC1 ZINC000841960465 937024865 /nfs/dbraw/zinc/02/48/65/937024865.db2.gz RHJJMBHDDVCPOO-CQSZACIVSA-N 0 0 263.341 1.290 20 10 CDCDRN CO[C@@H](C)CCC(=O)NCc1ccc(O)cc1O ZINC000824250240 925811856 /nfs/dbraw/zinc/81/18/56/925811856.db2.gz JSXOVVSUSWUEBK-VIFPVBQESA-N 0 0 253.298 1.529 20 10 CDCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H]1COCCO1 ZINC000776033440 925928708 /nfs/dbraw/zinc/92/87/08/925928708.db2.gz HRKMYASKOIGKSN-JTQLQIEISA-N 0 0 275.707 1.690 20 10 CDCDRN CN(C)c1ccc(/C=C/C(=O)NC2CC(=O)C2)cc1 ZINC000717047131 926444367 /nfs/dbraw/zinc/44/43/67/926444367.db2.gz QSNCWJZRTWQSGX-VMPITWQZSA-N 0 0 258.321 1.614 20 10 CDCDRN CC(C)(C)NC(=O)NC[C@@H](O)c1ccc(O)c(O)c1 ZINC001202472086 926587494 /nfs/dbraw/zinc/58/74/94/926587494.db2.gz JKZPEXONHZQFPX-LLVKDONJSA-N 0 0 268.313 1.229 20 10 CDCDRN COc1ccc(N(C)CCN(C)Cc2cnon2)cc1 ZINC000852211681 927741212 /nfs/dbraw/zinc/74/12/12/927741212.db2.gz OEKAGDHAYKHZDY-UHFFFAOYSA-N 0 0 276.340 1.646 20 10 CDCDRN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000780660653 937201526 /nfs/dbraw/zinc/20/15/26/937201526.db2.gz SNTYVVWJPFVDEX-LERXQTSPSA-N 0 0 277.320 1.182 20 10 CDCDRN COC1CCC(C(=O)NCCc2ccc(O)c(O)c2)CC1 ZINC000780930891 937207377 /nfs/dbraw/zinc/20/73/77/937207377.db2.gz OBKNPAFZFGWGGT-UHFFFAOYSA-N 0 0 293.363 1.962 20 10 CDCDRN CC1(F)CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001149903394 937210802 /nfs/dbraw/zinc/21/08/02/937210802.db2.gz FQYQLDIPXIZEQT-UHFFFAOYSA-N 0 0 267.300 1.991 20 10 CDCDRN CC(=O)C(=O)COC(=O)C[C@H]1CCC2(CCC2)O1 ZINC000885647535 928106814 /nfs/dbraw/zinc/10/68/14/928106814.db2.gz KEMDZKHMZRJGKF-SNVBAGLBSA-N 0 0 254.282 1.180 20 10 CDCDRN CC1=NO[C@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000854323549 928186384 /nfs/dbraw/zinc/18/63/84/928186384.db2.gz CAXHULZFNJGAIB-AWEZNQCLSA-N 0 0 275.352 1.876 20 10 CDCDRN COC[C@H](C)CNC(=O)NCc1cc(C)ccc1O ZINC000858191260 928817969 /nfs/dbraw/zinc/81/79/69/928817969.db2.gz WQWWBFVDBPCSNR-LLVKDONJSA-N 0 0 266.341 1.782 20 10 CDCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCOC2)c1 ZINC000858315931 928837127 /nfs/dbraw/zinc/83/71/27/928837127.db2.gz ZQINEBQPZCDNRO-LLVKDONJSA-N 0 0 250.298 1.289 20 10 CDCDRN COC(=O)c1cc(C)nc(NCc2ccc(O)c(O)c2)n1 ZINC001169993400 928878771 /nfs/dbraw/zinc/87/87/71/928878771.db2.gz NWKRSJALRSGTIX-UHFFFAOYSA-N 0 0 289.291 1.595 20 10 CDCDRN CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)OC)c1ccc(F)cc1[O-] ZINC000858580917 928890520 /nfs/dbraw/zinc/89/05/20/928890520.db2.gz ZQLJQRGBUVVGGC-JOYOIKCWSA-N 0 0 284.331 1.980 20 10 CDCDRN COC[C@H]1CN(Cc2c(O)cccc2OC)C[C@H](C)O1 ZINC000784668624 937307362 /nfs/dbraw/zinc/30/73/62/937307362.db2.gz SBQMTUYXAZESGX-NWDGAFQWSA-N 0 0 281.352 1.637 20 10 CDCDRN CC[C@]1(CO)CCCN1C(=O)c1cccc(O)c1O ZINC000784727163 937307985 /nfs/dbraw/zinc/30/79/85/937307985.db2.gz VOHBSEQYUXMRCM-CQSZACIVSA-N 0 0 265.309 1.475 20 10 CDCDRN Cc1ccc(O)c(CNC(=O)Nc2ncn(C)n2)c1 ZINC000861144313 929249789 /nfs/dbraw/zinc/24/97/89/929249789.db2.gz PZUQYVKSHDSVMP-UHFFFAOYSA-N 0 0 261.285 1.151 20 10 CDCDRN COc1nccc(C(=O)N[C@@H](C)c2ccccc2O)n1 ZINC001151899524 937316150 /nfs/dbraw/zinc/31/61/50/937316150.db2.gz DJTPJUWEBMODEK-VIFPVBQESA-N 0 0 273.292 1.682 20 10 CDCDRN CCOC[C@H]1CN(Cc2c(O)cccc2OC)CCO1 ZINC000862501965 929421767 /nfs/dbraw/zinc/42/17/67/929421767.db2.gz YHYBDTZDWCMABQ-GFCCVEGCSA-N 0 0 281.352 1.638 20 10 CDCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCc3cncn3C2)c1 ZINC000862755901 929464550 /nfs/dbraw/zinc/46/45/50/929464550.db2.gz MVUQJYDIVDUBJG-LBPRGKRZSA-N 0 0 285.347 1.776 20 10 CDCDRN CC[C@@H](C(=O)NCc1cc(C)ccc1O)N1CCCC1=O ZINC000862760235 929465646 /nfs/dbraw/zinc/46/56/46/929465646.db2.gz OIXZLCFCMUSXCF-ZDUSSCGKSA-N 0 0 290.363 1.718 20 10 CDCDRN CCOC(=O)C[C@@H](O)COc1ccc(N2CCCC2)cc1 ZINC000863459676 929556645 /nfs/dbraw/zinc/55/66/45/929556645.db2.gz QVEACYFKOGYALW-CQSZACIVSA-N 0 0 293.363 1.980 20 10 CDCDRN O=S1(=O)CCN(c2ccc(C3=CCCOC3)cc2)CC1 ZINC001245162140 929711034 /nfs/dbraw/zinc/71/10/34/929711034.db2.gz SNECFWMYQRMLDA-UHFFFAOYSA-N 0 0 293.388 1.725 20 10 CDCDRN O=C(NCCCOc1ncccn1)C1=CC(=O)CS1 ZINC000880604446 929720214 /nfs/dbraw/zinc/72/02/14/929720214.db2.gz XQHDOUBRLJBRBL-UHFFFAOYSA-N 0 0 279.321 1.443 20 10 CDCDRN COC(=O)Cc1cn(Cc2ccc(N(C)C)cc2)nn1 ZINC000881270815 929803624 /nfs/dbraw/zinc/80/36/24/929803624.db2.gz AQDBZRCMCRJJFC-UHFFFAOYSA-N 0 0 274.324 1.108 20 10 CDCDRN CN(C)c1ccc(Cn2nnn(-c3ccccc3)c2=O)cc1 ZINC000814735878 929817319 /nfs/dbraw/zinc/81/73/19/929817319.db2.gz JHKNBHOQQOXNHR-UHFFFAOYSA-N 0 0 295.346 1.543 20 10 CDCDRN COCCCN(C)CC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883018241 930126817 /nfs/dbraw/zinc/12/68/17/930126817.db2.gz VFUKYAUMMZXOOI-UHFFFAOYSA-N 0 0 288.338 1.728 20 10 CDCDRN C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@@H]1CN(C)CCO1 ZINC000883051691 930133650 /nfs/dbraw/zinc/13/36/50/930133650.db2.gz KMIRWPJCKWDMFM-ZANVPECISA-N 0 0 286.322 1.479 20 10 CDCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000883109326 930143099 /nfs/dbraw/zinc/14/30/99/930143099.db2.gz MYZBMATZSPLRJO-GXSJLCMTSA-N 0 0 287.306 1.405 20 10 CDCDRN CO[C@H](C)CS(=O)(=O)N(C)Cc1ccccc1O ZINC000799773877 937395837 /nfs/dbraw/zinc/39/58/37/937395837.db2.gz DKTSZEWJLXHTAE-SNVBAGLBSA-N 0 0 273.354 1.189 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CCc2cncn2C1 ZINC000816889317 930380192 /nfs/dbraw/zinc/38/01/92/930380192.db2.gz UFJVAAXAYIHUFY-ZDUSSCGKSA-N 0 0 285.347 1.810 20 10 CDCDRN [O-]c1c(F)ccc(F)c1C[N@H+]1CCC[C@H](CO)C1 ZINC001139685481 937421651 /nfs/dbraw/zinc/42/16/51/937421651.db2.gz LJRKXOCMWYKFCB-VIFPVBQESA-N 0 0 257.280 1.875 20 10 CDCDRN COCCNCC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817965563 930649364 /nfs/dbraw/zinc/64/93/64/930649364.db2.gz XHRLQIDIIMOYIM-VIFPVBQESA-N 0 0 274.311 1.557 20 10 CDCDRN CC[C@H]([NH2+]CCNCCOC)c1ccc(F)cc1[O-] ZINC000817965268 930653519 /nfs/dbraw/zinc/65/35/19/930653519.db2.gz SJLMIKPDUZRRCR-ZDUSSCGKSA-N 0 0 270.348 1.808 20 10 CDCDRN C[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1ccc(F)cc1[O-] ZINC000817976054 930654523 /nfs/dbraw/zinc/65/45/23/930654523.db2.gz FCZXIVUPTQIKGT-MIMYLULJSA-N 0 0 256.296 1.882 20 10 CDCDRN O=C(NCc1cccc(O)c1O)[C@]12CCC[C@H]1OCC2 ZINC001153798662 937471080 /nfs/dbraw/zinc/47/10/80/937471080.db2.gz VANSURYXKBHNIT-DOMZBBRYSA-N 0 0 277.320 1.673 20 10 CDCDRN COc1ccc(O)c([C@@H]2NC3(CCOCC3)C(=O)N2C)c1 ZINC000887336255 931061588 /nfs/dbraw/zinc/06/15/88/931061588.db2.gz ZHKPBFCAMOQLOJ-CYBMUJFWSA-N 0 0 292.335 1.010 20 10 CDCDRN CC(=O)c1cc(C(=O)NCc2cccc(O)c2O)n(C)c1 ZINC001153792570 937470595 /nfs/dbraw/zinc/47/05/95/937470595.db2.gz SWGPVQGOEPUMKE-UHFFFAOYSA-N 0 0 288.303 1.569 20 10 CDCDRN CC(=O)N[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000179932976 931091035 /nfs/dbraw/zinc/09/10/35/931091035.db2.gz PEKCEDXKMGWOEB-ZDUSSCGKSA-N 0 0 266.316 1.632 20 10 CDCDRN O=C(C1=CC(=O)CS1)N1CCC[C@@H](n2ccnn2)C1 ZINC000822426474 931159832 /nfs/dbraw/zinc/15/98/32/931159832.db2.gz KLWUWSXEBDONOB-SECBINFHSA-N 0 0 278.337 1.523 20 10 CDCDRN O=C(N[C@H]1CCOC12CCOCC2)c1cccc(O)c1O ZINC000890445611 931434282 /nfs/dbraw/zinc/43/42/82/931434282.db2.gz LWJMZTFYLJGPAB-LBPRGKRZSA-N 0 0 293.319 1.166 20 10 CDCDRN CCCn1cc(C(=O)NCc2cc(Cl)ccc2O)nn1 ZINC000846472650 932044989 /nfs/dbraw/zinc/04/49/89/932044989.db2.gz DCQNTZXRFPRNME-UHFFFAOYSA-N 0 0 294.742 1.977 20 10 CDCDRN COC(=O)N[C@@H](C)C(=O)NCc1cc(Cl)ccc1O ZINC000846473170 932045924 /nfs/dbraw/zinc/04/59/24/932045924.db2.gz JZHJIOUTUOSDRI-ZETCQYMHSA-N 0 0 286.715 1.406 20 10 CDCDRN O=C(CN1C(=O)CSC1=S)N1C2CCC1CC2 ZINC001144849959 932054598 /nfs/dbraw/zinc/05/45/98/932054598.db2.gz KVUVTBUMDMGWOR-UHFFFAOYSA-N 0 0 270.379 1.000 20 10 CDCDRN Cc1cncc(C(=O)NCC(=O)c2ccc(O)c(O)c2)c1 ZINC001147405477 932500877 /nfs/dbraw/zinc/50/08/77/932500877.db2.gz RTULDZMPXXJAOM-UHFFFAOYSA-N 0 0 286.287 1.414 20 10 CDCDRN O=C(Nc1n[nH]c2c1CCCC2)c1cccc(O)c1O ZINC001148211896 932666934 /nfs/dbraw/zinc/66/69/34/932666934.db2.gz BJDYUDJQUJZOSC-UHFFFAOYSA-N 0 0 273.292 1.952 20 10 CDCDRN O=C(c1cccc(O)c1O)N1CCC[C@](O)(CF)CC1 ZINC001148212086 932668706 /nfs/dbraw/zinc/66/87/06/932668706.db2.gz LHCHZVMLMKKRFP-CQSZACIVSA-N 0 0 283.299 1.425 20 10 CDCDRN Cc1ncnc(C)c1NC(=O)c1cc(O)c(O)c(O)c1 ZINC001148579938 932748931 /nfs/dbraw/zinc/74/89/31/932748931.db2.gz CSQDHIXMGDRHGK-UHFFFAOYSA-N 0 0 275.264 1.463 20 10 CDCDRN O=C(Nc1cccn2nccc12)c1cc(O)c(O)c(O)c1 ZINC001148582870 932751074 /nfs/dbraw/zinc/75/10/74/932751074.db2.gz OMZAHESHTKODCM-UHFFFAOYSA-N 0 0 285.259 1.703 20 10 CDCDRN Cc1nnc([C@H]2CCN(C(=O)C3=CC(=O)CS3)C2)[nH]1 ZINC000839882823 932762153 /nfs/dbraw/zinc/76/21/53/932762153.db2.gz XUJCGTVYSWIALV-QMMMGPOBSA-N 0 0 278.337 1.510 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)c1cnc2n[nH]nc2c1 ZINC000777797437 933246660 /nfs/dbraw/zinc/24/66/60/933246660.db2.gz SOONATRAJOOCNN-UHFFFAOYSA-N 0 0 283.291 1.331 20 10 CDCDRN CS(=O)(=O)c1ccc(C=C2SC(=O)NC2=O)o1 ZINC001119116610 937696709 /nfs/dbraw/zinc/69/67/09/937696709.db2.gz QXDCUDZUYCYQAK-XQRVVYSFSA-N 0 0 273.291 1.007 20 10 CDCDRN COCc1nc(C(=O)NCc2ccc(O)c(O)c2)cs1 ZINC000159019728 934306876 /nfs/dbraw/zinc/30/68/76/934306876.db2.gz NQARKXYVBYTGDD-UHFFFAOYSA-N 0 0 294.332 1.631 20 10 CDCDRN Cc1nnc(CNC(=O)/C=C\c2ccc(O)c(O)c2)o1 ZINC000779500434 934591969 /nfs/dbraw/zinc/59/19/69/934591969.db2.gz PRGUWRURVDRCLQ-HYXAFXHYSA-N 0 0 275.264 1.119 20 10 CDCDRN Cc1cnc(CNC(=O)/C=C\c2ccc(O)c(O)c2)o1 ZINC000779525037 934594258 /nfs/dbraw/zinc/59/42/58/934594258.db2.gz HQBVWZWFERURAM-HYXAFXHYSA-N 0 0 274.276 1.724 20 10 CDCDRN COCC1(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000779531739 934596880 /nfs/dbraw/zinc/59/68/80/934596880.db2.gz DTCXBFMTZCYLMO-HWKANZROSA-N 0 0 263.293 1.406 20 10 CDCDRN NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000078935523 934601389 /nfs/dbraw/zinc/60/13/89/934601389.db2.gz QIQWFVMICSXQOD-UHFFFAOYSA-N 0 0 263.341 1.064 20 10 CDCDRN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)NCCc1ccc(N)cc1 ZINC000087206643 934767440 /nfs/dbraw/zinc/76/74/40/934767440.db2.gz YDWFUBWPZIDPOS-NWJSVONSSA-N 0 0 276.380 1.987 20 10 CDCDRN C[C@@H]1CN(Cc2cc(F)ccc2O)C[C@@H](CO)O1 ZINC000249509480 934938532 /nfs/dbraw/zinc/93/85/32/934938532.db2.gz ZKWDGRYFFMKPII-SKDRFNHKSA-N 0 0 255.289 1.113 20 10 CDCDRN CCC[C@@](C)(CO)NC(=O)NCc1ccc(N)cc1 ZINC001120591946 937814755 /nfs/dbraw/zinc/81/47/55/937814755.db2.gz NKBSQDWAUJMIKW-AWEZNQCLSA-N 0 0 265.357 1.619 20 10 CDCDRN CC(C)[C@@](C)(O)CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000304049523 935051345 /nfs/dbraw/zinc/05/13/45/935051345.db2.gz KJHFUOFYVWOGDR-INIZCTEOSA-N 0 0 293.411 1.959 20 10 CDCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@H](C)CO ZINC000305744606 935202095 /nfs/dbraw/zinc/20/20/95/935202095.db2.gz URYOVMVJWNXMLU-GFCCVEGCSA-N 0 0 279.384 1.583 20 10 CDCDRN COC[C@](C)([NH2+]Cc1ccc2c(c1)CCO2)C(=O)[O-] ZINC000720756690 935243837 /nfs/dbraw/zinc/24/38/37/935243837.db2.gz MASXELCUEJEDSP-AWEZNQCLSA-N 0 0 265.309 1.201 20 10 CDCDRN Cc1cc(CN2CCNC(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000119481922 935730791 /nfs/dbraw/zinc/73/07/91/935730791.db2.gz HLQQEXHMSKQMST-UHFFFAOYSA-N 0 0 276.380 1.930 20 10 CDCDRN CN(C)c1ccc(CN(C)c2ccnc(N)n2)cc1 ZINC001156921040 938434421 /nfs/dbraw/zinc/43/44/21/938434421.db2.gz QEIYAGUFIYTELP-UHFFFAOYSA-N 0 0 257.341 1.761 20 10 CDCDRN Cc1cnc(NCCc2cc(O)c(O)cc2O)cn1 ZINC001157239841 938468529 /nfs/dbraw/zinc/46/85/29/938468529.db2.gz LAEPNSVXFJMUPZ-UHFFFAOYSA-N 0 0 261.281 1.556 20 10 CDCDRN Oc1cc(O)c(CCNc2cc(F)ccn2)cc1O ZINC001157240311 938468569 /nfs/dbraw/zinc/46/85/69/938468569.db2.gz VROLQSHXGKFIKI-UHFFFAOYSA-N 0 0 264.256 1.992 20 10 CDCDRN Oc1cc(O)c(CCNc2ncnc3ncccc32)cc1O ZINC001157239935 938468845 /nfs/dbraw/zinc/46/88/45/938468845.db2.gz MZVXUKAZTHORKK-UHFFFAOYSA-N 0 0 298.302 1.796 20 10 CDCDRN COCc1ccc(NCCc2cc(O)c(O)cc2O)nc1 ZINC001157245322 938469138 /nfs/dbraw/zinc/46/91/38/938469138.db2.gz VMMNGFZMFKLANW-UHFFFAOYSA-N 0 0 290.319 1.999 20 10 CDCDRN CN(C)c1ccc(NCc2ccc(O)c(O)c2)nn1 ZINC001158994563 938685802 /nfs/dbraw/zinc/68/58/02/938685802.db2.gz POAJKNDAUZAXOJ-UHFFFAOYSA-N 0 0 260.297 1.566 20 10 CDCDRN Cn1c(=O)cccc1C(=O)NCc1cccc(Cl)c1O ZINC001159033762 938694119 /nfs/dbraw/zinc/69/41/19/938694119.db2.gz NPJPAYZTOLQJAP-UHFFFAOYSA-N 0 0 292.722 1.674 20 10 CDCDRN CC(C)(CO)CCNC(=O)Cc1ccc(O)c(O)c1 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CCN(C)c1ccc(CN2C[C@@H](CO)OC[C@H]2C)cc1 ZINC000773766352 575838351 /nfs/dbraw/zinc/83/83/51/575838351.db2.gz SQVDGCSKMSBPCW-CJNGLKHVSA-N 0 0 278.396 1.724 20 10 CDCDRN CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000765798974 576056935 /nfs/dbraw/zinc/05/69/35/576056935.db2.gz WTDFWOLKRBFOMY-RYUDHWBXSA-N 0 0 293.323 1.305 20 10 CDCDRN CCOc1ccc(CN2CCN3C(=O)OC[C@@H]3C2)c(O)c1 ZINC000769484087 576358068 /nfs/dbraw/zinc/35/80/68/576358068.db2.gz UHPQKCIMSXMLTM-LBPRGKRZSA-N 0 0 292.335 1.427 20 10 CDCDRN O=C1N[C@H](C2CC2)C(=O)N1CCCSc1nccs1 ZINC000761301792 576566279 /nfs/dbraw/zinc/56/62/79/576566279.db2.gz UFVMGNAYXHNCBP-SECBINFHSA-N 0 0 297.405 1.956 20 10 CDCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2nnn(C)c2C)c1 ZINC000743337618 576633237 /nfs/dbraw/zinc/63/32/37/576633237.db2.gz XPDSXIAKNUHFBA-MRVPVSSYSA-N 0 0 290.323 1.329 20 10 CDCDRN COc1cccc(C(=O)NCCc2ccc(O)c(O)c2)n1 ZINC000762268431 576635925 /nfs/dbraw/zinc/63/59/25/576635925.db2.gz FYURWKNAMWDLND-UHFFFAOYSA-N 0 0 288.303 1.474 20 10 CDCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCC1CC(O)C1 ZINC000762717188 576666851 /nfs/dbraw/zinc/66/68/51/576666851.db2.gz NFTODNGQOQEPBM-RQOWECAXSA-N 0 0 277.320 1.388 20 10 CDCDRN COc1ccc(O)c(CNC(=O)N[C@@H](C)[C@H]2CCOC2)c1 ZINC000745821263 576744182 /nfs/dbraw/zinc/74/41/82/576744182.db2.gz XJTPLPZZIPKFKF-QWRGUYRKSA-N 0 0 294.351 1.625 20 10 CDCDRN O=C(N[C@@H]1c2ccccc2C[C@@H]1O)C1=CC(=O)CS1 ZINC000748299266 576904198 /nfs/dbraw/zinc/90/41/98/576904198.db2.gz QEQKPJSKMFOBNJ-WCQYABFASA-N 0 0 275.329 1.842 20 10 CDCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H](CO)CC2CC2)c1 ZINC000754833706 576917946 /nfs/dbraw/zinc/91/79/46/576917946.db2.gz LDAGGVJKRYVAQO-NSHDSACASA-N 0 0 266.297 1.551 20 10 CDCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cc[nH]n2)c1 ZINC000756555043 576995450 /nfs/dbraw/zinc/99/54/50/576995450.db2.gz RKZHUETUDYQMAO-SECBINFHSA-N 0 0 275.308 1.753 20 10 CDCDRN COC[C@@H](CCO)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756591930 576997027 /nfs/dbraw/zinc/99/70/27/576997027.db2.gz HEURIXRPYASKRE-PSASIEDQSA-N 0 0 275.295 1.718 20 10 CDCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCn2cccn2)c1 ZINC000756682907 577000056 /nfs/dbraw/zinc/00/00/56/577000056.db2.gz BAZKCTPPWUMTGA-NSHDSACASA-N 0 0 289.335 1.726 20 10 CDCDRN NC(=O)c1ccc(CNC(=O)NCc2ccccc2O)o1 ZINC000752021501 577082970 /nfs/dbraw/zinc/08/29/70/577082970.db2.gz QBJITPMKNYBMSP-UHFFFAOYSA-N 0 0 289.291 1.084 20 10 CDCDRN COC(=O)CN(CCF)Cc1cc(Cl)ccc1O ZINC000759348919 577172688 /nfs/dbraw/zinc/17/26/88/577172688.db2.gz VOGFQJMLQPZVEV-UHFFFAOYSA-N 0 0 275.707 1.990 20 10 CDCDRN CC[C@@H](O)C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000830174245 602203945 /nfs/dbraw/zinc/20/39/45/602203945.db2.gz FFWIADUYIKVOJR-LLVKDONJSA-N 0 0 287.743 1.703 20 10 CDCDRN COc1ccc(O)c(C[N@@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000227818154 605246036 /nfs/dbraw/zinc/24/60/36/605246036.db2.gz VJVVJTUDGVQYRJ-JOYOIKCWSA-N 0 0 265.309 1.553 20 10 CDCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1CCCO1 ZINC000890756435 617319959 /nfs/dbraw/zinc/31/99/59/617319959.db2.gz DATIFDUUCNITOQ-JTQLQIEISA-N 0 0 255.701 1.841 20 10 CDCDRN CN1CCC[C@@H](C(=O)NCc2cccc(Cl)c2O)C1=O ZINC000890761248 617321248 /nfs/dbraw/zinc/32/12/48/617321248.db2.gz NUIGAMYRLOKTKZ-JTQLQIEISA-N 0 0 296.754 1.530 20 10 CDCDRN O=C(CN1CCOC1=O)NCc1cccc(Cl)c1O ZINC000890762991 617322396 /nfs/dbraw/zinc/32/23/96/617322396.db2.gz LYFIQYOEAZOGQI-UHFFFAOYSA-N 0 0 284.699 1.114 20 10 CDCDRN COc1ccc(CNC(=O)N[C@@H]2COC[C@@H]2C)c(O)c1 ZINC000926015558 617333267 /nfs/dbraw/zinc/33/32/67/617333267.db2.gz IZUZGIIOYMBTDC-JOYOIKCWSA-N 0 0 280.324 1.235 20 10 CDCDRN COc1ccc(O)c(CNC(=O)N[C@H]2CSC[C@H]2C)c1 ZINC000806810159 617359202 /nfs/dbraw/zinc/35/92/02/617359202.db2.gz HUVVLEXBLLFMBD-SKDRFNHKSA-N 0 0 296.392 1.952 20 10 CDCDRN C[C@@H]1C[C@H](NC(=O)NCCc2ccc(N)cc2)[C@@H](C)O1 ZINC000892038666 617433422 /nfs/dbraw/zinc/43/34/22/617433422.db2.gz GPHCJQXDDVHXSZ-GYSYKLTISA-N 0 0 277.368 1.676 20 10 CDCDRN CN(C)c1ccc(CNC(=O)NCC[C@H](O)C2CC2)cc1 ZINC000891607923 617501051 /nfs/dbraw/zinc/50/10/51/617501051.db2.gz URVAEFXHRFELBX-HNNXBMFYSA-N 0 0 291.395 1.713 20 10 CDCDRN COCc1nccc(N(C)Cc2ccccc2O)n1 ZINC000893019967 618064345 /nfs/dbraw/zinc/06/43/45/618064345.db2.gz YGEINJJKWHNLHJ-UHFFFAOYSA-N 0 0 259.309 1.965 20 10 CDCDRN C[C@H]1Cn2nccc2N(C(=O)/C=C\c2cccnc2)C1 ZINC000893903956 618155836 /nfs/dbraw/zinc/15/58/36/618155836.db2.gz XMTOBGLILYKCQO-QMAVJUDZSA-N 0 0 268.320 1.974 20 10 CDCDRN CN(C)c1ccc(C[NH2+][C@]2(CC(=O)[O-])CCOC2)cc1 ZINC000901837649 618290962 /nfs/dbraw/zinc/29/09/62/618290962.db2.gz PEXBGMSJYGBNLI-HNNXBMFYSA-N 0 0 278.352 1.476 20 10 CDCDRN COC(=O)[C@]1(C)CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000839919535 618419737 /nfs/dbraw/zinc/41/97/37/618419737.db2.gz YICGLVPCWZJJMY-OAHLLOKOSA-N 0 0 293.319 1.513 20 10 CDCDRN C[C@@H](NC(=O)N1CCOCCN1)c1ccc(N(C)C)cc1 ZINC000894286279 618478276 /nfs/dbraw/zinc/47/82/76/618478276.db2.gz NTBYYNOMHRMORN-GFCCVEGCSA-N 0 0 292.383 1.360 20 10 CDCDRN CC1(CCNC(=O)c2c(F)ccc(O)c2O)OCCO1 ZINC000828435957 618620377 /nfs/dbraw/zinc/62/03/77/618620377.db2.gz QLKQWQNCPKGJKZ-UHFFFAOYSA-N 0 0 285.271 1.120 20 10 CDCDRN COc1cc(C)cc(CN[C@H](C)c2ncn(C)n2)c1O ZINC000894530901 618943998 /nfs/dbraw/zinc/94/39/98/618943998.db2.gz PKIZLQJMWSYVRE-SNVBAGLBSA-N 0 0 276.340 1.689 20 10 CDCDRN COc1cc(C)cc(CN2CC(=O)N(C3CC3)C2)c1O ZINC000894595990 618986557 /nfs/dbraw/zinc/98/65/57/618986557.db2.gz MVVVVCGJSAXATE-UHFFFAOYSA-N 0 0 276.336 1.473 20 10 CDCDRN CC[C@@](C)(OC)C(=O)NCc1cc(OC)ccc1O ZINC000795102417 619599052 /nfs/dbraw/zinc/59/90/52/619599052.db2.gz XDRGWHXCIJTIPA-CQSZACIVSA-N 0 0 267.325 1.832 20 10 CDCDRN COc1cc(O)c(CN2CCO[C@@H](OC)C2)cc1OC ZINC000895968721 619927335 /nfs/dbraw/zinc/92/73/35/619927335.db2.gz RKHWQKWAKAOORT-CQSZACIVSA-N 0 0 283.324 1.214 20 10 CDCDRN Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000896384915 620080857 /nfs/dbraw/zinc/08/08/57/620080857.db2.gz BLGLNALTGLNIIW-SNVBAGLBSA-N 0 0 267.300 1.726 20 10 CDCDRN CC(C)C(=O)N1CCN(Cc2ccccc2O)CC1 ZINC000728299547 620308843 /nfs/dbraw/zinc/30/88/43/620308843.db2.gz LQVFKEXDMJDNRJ-UHFFFAOYSA-N 0 0 262.353 1.692 20 10 CDCDRN C[C@H]([NH2+]CCO[C@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000927081795 621689102 /nfs/dbraw/zinc/68/91/02/621689102.db2.gz WGMPAQPUAKFBNB-JQWIXIFHSA-N 0 0 269.316 1.987 20 10 CDCDRN C=CC(=O)N(CC)CC(=O)NCc1cccc(OC)c1O ZINC000901127965 623884162 /nfs/dbraw/zinc/88/41/62/623884162.db2.gz QTYPEPOZMKLKRM-UHFFFAOYSA-N 0 0 292.335 1.052 20 10 CDCDRN COc1ccc2c(c1)CCCN2CN1CCOC1=O ZINC000902195397 624549183 /nfs/dbraw/zinc/54/91/83/624549183.db2.gz NPRQNTGMLGSMRB-UHFFFAOYSA-N 0 0 262.309 1.858 20 10 CDCDRN O=C(CCCNC(=O)C1CC1)NCc1ccc(O)cc1O ZINC000910952037 629115520 /nfs/dbraw/zinc/11/55/20/629115520.db2.gz PYJPOIZUCGZEAO-UHFFFAOYSA-N 0 0 292.335 1.020 20 10 CDCDRN Cc1nccn1CCCC(=O)NCc1ccc(O)cc1O ZINC000910954146 629116557 /nfs/dbraw/zinc/11/65/57/629116557.db2.gz HVFJTAXHHYFNQX-UHFFFAOYSA-N 0 0 289.335 1.699 20 10 CDCDRN CCOC1CC(CC(=O)NCc2ccc(O)cc2O)C1 ZINC000910947823 629127185 /nfs/dbraw/zinc/12/71/85/629127185.db2.gz NXOMKFGDFAPQNR-UHFFFAOYSA-N 0 0 279.336 1.919 20 10 CDCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000911897879 629624595 /nfs/dbraw/zinc/62/45/95/629624595.db2.gz LITSSLVUBKUJBM-OASPWFOLSA-N 0 0 279.723 1.887 20 10 CDCDRN Cc1cc(C(=O)OCCO)c(C)n1-c1ccccn1 ZINC000914907242 631598292 /nfs/dbraw/zinc/59/82/92/631598292.db2.gz TXKWKGXXDYJUBU-UHFFFAOYSA-N 0 0 260.293 1.638 20 10 CDCDRN Cc1cc(OC(F)(F)F)ccc1N1C[C@H](O)C[C@@H]1CO ZINC001170286094 1162332146 /nfs/dbraw/zinc/33/21/46/1162332146.db2.gz NFUJZGSKUOWVEW-NXEZZACHSA-N 0 0 291.269 1.826 20 10 CDCDRN O=C(CNc1nccc2c1NC(=O)C2)c1ccc(O)c(O)c1 ZINC001170316776 1162335784 /nfs/dbraw/zinc/33/57/84/1162335784.db2.gz NVYXFLFBMSPVOF-UHFFFAOYSA-N 0 0 299.286 1.282 20 10 CDCDRN Cn1ccc2nc(NCC(=O)c3ccc(O)c(O)c3)ncc21 ZINC001170317118 1162335974 /nfs/dbraw/zinc/33/59/74/1162335974.db2.gz ZQBPALBXONPBRQ-UHFFFAOYSA-N 0 0 298.302 1.674 20 10 CDCDRN C=Cc1ncc(NCC(=O)c2ccc(O)c(O)c2)cn1 ZINC001170321288 1162337084 /nfs/dbraw/zinc/33/70/84/1162337084.db2.gz ZMWDWKROCUAJQO-UHFFFAOYSA-N 0 0 271.276 1.826 20 10 CDCDRN COc1ccc(CNC(=O)CC[C@@H]2CCCO2)c(O)c1 ZINC000794389570 1162469779 /nfs/dbraw/zinc/46/97/79/1162469779.db2.gz RJRPNLSPXPHXMA-LBPRGKRZSA-N 0 0 279.336 1.976 20 10 CDCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCCO1 ZINC000808095672 1162809175 /nfs/dbraw/zinc/80/91/75/1162809175.db2.gz NTJFHEQNXSFHDR-LLVKDONJSA-N 0 0 270.325 1.673 20 10 CDCDRN Oc1ccc(CNc2ncc3[nH]ccc3n2)cc1O ZINC001169993368 1162029889 /nfs/dbraw/zinc/02/98/89/1162029889.db2.gz MSHIMKWJSKISPL-UHFFFAOYSA-N 0 0 256.265 1.981 20 10 CDCDRN CN(C)c1cnc(NCc2ccc(O)c(O)c2)cn1 ZINC001169993689 1162030283 /nfs/dbraw/zinc/03/02/83/1162030283.db2.gz XEOWJUAJMGOUGW-UHFFFAOYSA-N 0 0 260.297 1.566 20 10 CDCDRN Cc1nn(C)c(NC(=O)c2cccc(O)c2O)c1C ZINC000790666264 1162164888 /nfs/dbraw/zinc/16/48/88/1162164888.db2.gz PSHIXILHPXZNQV-UHFFFAOYSA-N 0 0 261.281 1.700 20 10 CDCDRN Cc1nnc(CC(=O)NCCCSc2nccs2)o1 ZINC000813450910 1163892313 /nfs/dbraw/zinc/89/23/13/1163892313.db2.gz CTNODQYOWDDWNR-UHFFFAOYSA-N 0 0 298.393 1.676 20 10 CDCDRN COc1ccc(O)c(CNS(=O)(=O)CC(C)C)c1 ZINC000119828797 1164501259 /nfs/dbraw/zinc/50/12/59/1164501259.db2.gz WYIUYBFRVPLWPW-UHFFFAOYSA-N 0 0 273.354 1.476 20 10 CDCDRN CN(C)c1ccc(/C=C/C(=O)NCc2cn[nH]c2)cc1 ZINC000038006763 1165816183 /nfs/dbraw/zinc/81/61/83/1165816183.db2.gz RAXAUPSGOBZFTH-VMPITWQZSA-N 0 0 270.336 1.805 20 10 CDCDRN O=C(NCc1ccccc1O)c1nnc2ccccn21 ZINC001155388794 1167152395 /nfs/dbraw/zinc/15/23/95/1167152395.db2.gz STMORAJSAJVXTP-UHFFFAOYSA-N 0 0 268.276 1.365 20 10 CDCDRN Nc1ccc(CCNC(=O)c2cnc(C3CC3)[nH]c2=O)cc1 ZINC001580443597 1172438301 /nfs/dbraw/zinc/43/83/01/1172438301.db2.gz RYKNUCCQCZOWFB-UHFFFAOYSA-N 0 0 298.346 1.614 20 10 CDCDRN Nc1ccc(NC(=O)c2nc(-c3cnccn3)no2)cc1 ZINC001580449159 1172439424 /nfs/dbraw/zinc/43/94/24/1172439424.db2.gz DTNKBSWJQGHPDK-UHFFFAOYSA-N 0 0 282.263 1.361 20 10 CDCDRN C[C@@H]([NH2+][C@H]1CCCOC1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589978007 1173219896 /nfs/dbraw/zinc/21/98/96/1173219896.db2.gz DVBYDKQENFLRAE-ZJUUUORDSA-N 0 0 289.339 1.402 20 10 CDCDRN CC[C@H]([NH2+][C@H]1C[C@H](O)C1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001590471378 1173423148 /nfs/dbraw/zinc/42/31/48/1173423148.db2.gz DEPSOBIPNPSUFQ-AUTRQRHGSA-N 0 0 289.339 1.136 20 10 CDCDRN COCC(COC)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001606804470 1163998505 /nfs/dbraw/zinc/99/85/05/1163998505.db2.gz KHIDUNLUMXWBGR-VIFPVBQESA-N 0 0 283.324 1.402 20 10 CDCDRN COc1cc(C)cc(C[NH2+]C[C@]2(C(=O)[O-])CCOC2)c1O ZINC001607149269 1164121427 /nfs/dbraw/zinc/12/14/27/1164121427.db2.gz FAOVTTBLHKZKPJ-OAHLLOKOSA-N 0 0 295.335 1.290 20 10 CDCDRN COc1cc(Cl)cc(C[N@H+]2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1O ZINC001607166988 1164124858 /nfs/dbraw/zinc/12/48/58/1164124858.db2.gz IHSHZDXDLKHCPR-IAZYJMLFSA-N 0 0 297.738 1.817 20 10 CDCDRN C[C@H](N[C@@H]1C[NH2+]CC[C@H]1C)c1cc(C(=O)[O-])ccc1O ZINC001609774839 1165076554 /nfs/dbraw/zinc/07/65/54/1165076554.db2.gz CFBAXJIAAHVVHV-GBIKHYSHSA-N 0 0 278.352 1.739 20 10 CDCDRN Cn1cc(/C=C2/c3cc(Cl)ccc3N(C)C2=O)nn1 ZINC000799502215 828356347 /nfs/dbraw/zinc/35/63/47/828356347.db2.gz WVIYHSUAAMPEMV-WDZFZDKYSA-N 0 0 274.711 1.986 20 10 CDCDRN C[C@@H](NC(=O)[C@@H]1CCCS1(=O)=O)c1ccccc1O ZINC000827951948 828362228 /nfs/dbraw/zinc/36/22/28/828362228.db2.gz AFXIJDRMFWQPKJ-SKDRFNHKSA-N 0 0 283.349 1.147 20 10 CDCDRN CCn1nccc1NC(=O)NCc1ccc(OC)cc1O ZINC000797640598 828445254 /nfs/dbraw/zinc/44/52/54/828445254.db2.gz OMHXMHYJKWYJGF-UHFFFAOYSA-N 0 0 290.323 1.939 20 10 CDCDRN COc1ccc(O)c(CNC(=O)c2ccn(C)c(=O)c2)c1 ZINC000114541077 828452900 /nfs/dbraw/zinc/45/29/00/828452900.db2.gz IABHAAWAACDKOC-UHFFFAOYSA-N 0 0 288.303 1.030 20 10 CDCDRN OCCn1cc(N[C@H]2CCc3cccc(O)c32)cn1 ZINC000834733388 822681068 /nfs/dbraw/zinc/68/10/68/822681068.db2.gz HDPMZUBRIJPOQZ-LBPRGKRZSA-N 0 0 259.309 1.680 20 10 CDCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)COC(F)(F)F ZINC000935312432 822685430 /nfs/dbraw/zinc/68/54/30/822685430.db2.gz XPAJBSUPNRYXSX-ZETCQYMHSA-N 0 0 293.241 1.681 20 10 CDCDRN Cc1cccnc1CNC(=O)c1cccc(O)c1O ZINC000126409374 822722720 /nfs/dbraw/zinc/72/27/20/822722720.db2.gz YPPVWXLSYYIRSK-UHFFFAOYSA-N 0 0 258.277 1.731 20 10 CDCDRN CN(C)c1ccc(CNC(=O)CCc2nnc[nH]2)cc1F ZINC000176854913 828524036 /nfs/dbraw/zinc/52/40/36/828524036.db2.gz YDEWLYOTAXAVJH-UHFFFAOYSA-N 0 0 291.330 1.259 20 10 CDCDRN CN(Cc1nccn1C)C(=O)Cc1ccc(N)cc1 ZINC000037822979 828564042 /nfs/dbraw/zinc/56/40/42/828564042.db2.gz YSCPTPNBFMOTNE-UHFFFAOYSA-N 0 0 258.325 1.203 20 10 CDCDRN CC(C)[C@@H]1C[C@H]1CNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841142055 823768415 /nfs/dbraw/zinc/76/84/15/823768415.db2.gz JSKIAENGIFVSRX-GWCFXTLKSA-N 0 0 275.352 1.616 20 10 CDCDRN CCc1cccc(CN2CCS(=O)(=O)CC[C@@H]2C)c1O ZINC000848907396 823769219 /nfs/dbraw/zinc/76/92/19/823769219.db2.gz NGJDJDCDGPVIHR-LBPRGKRZSA-N 0 0 297.420 1.964 20 10 CDCDRN C[C@H](O)CCCn1cc(COc2ccc(N)cc2)nn1 ZINC000881317276 828579119 /nfs/dbraw/zinc/57/91/19/828579119.db2.gz JKFIUCQIKLUVEI-NSHDSACASA-N 0 0 276.340 1.600 20 10 CDCDRN CCc1cccc(CN2CC(=O)NCC2(C)C)c1O ZINC000848909501 823818183 /nfs/dbraw/zinc/81/81/83/823818183.db2.gz VKAJGILNSGHCTL-UHFFFAOYSA-N 0 0 262.353 1.665 20 10 CDCDRN Nc1ccc(NC(=O)N2CC[C@@H]3OCC[C@@H]3C2)cc1 ZINC000724833951 823822129 /nfs/dbraw/zinc/82/21/29/823822129.db2.gz FTAGTCFGYJQTJL-MFKMUULPSA-N 0 0 261.325 1.912 20 10 CDCDRN C[C@@H](NC(=O)c1c(F)ccc(O)c1O)C(C)(C)C[NH+](C)C ZINC000826069458 823877238 /nfs/dbraw/zinc/87/72/38/823877238.db2.gz YKKIPRUESLNSOD-SECBINFHSA-N 0 0 298.358 1.943 20 10 CDCDRN C[C@@H](NS(=O)(=O)CC1CC1)c1ccccc1O ZINC000867834306 823936225 /nfs/dbraw/zinc/93/62/25/823936225.db2.gz LXZFYWDJGOSPAJ-SECBINFHSA-N 0 0 255.339 1.783 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)c1ccn(C)c(=O)c1 ZINC000053915957 823941349 /nfs/dbraw/zinc/94/13/49/823941349.db2.gz FQPCVUXULIMMFY-UHFFFAOYSA-N 0 0 272.304 1.363 20 10 CDCDRN Cc1cc(CN2CCNC(=O)C2)ccc1N1CCCCC1 ZINC000827297500 823954679 /nfs/dbraw/zinc/95/46/79/823954679.db2.gz BMNWOGGTOVLCPR-UHFFFAOYSA-N 0 0 287.407 1.917 20 10 CDCDRN O=C(COC[C@H]1CCCO1)NCc1cc(Cl)ccc1O ZINC000846475837 823998983 /nfs/dbraw/zinc/99/89/83/823998983.db2.gz LAULOSARELIVCD-GFCCVEGCSA-N 0 0 299.754 1.857 20 10 CDCDRN COc1ccc(CNC(=O)NCCCSC)c(O)c1 ZINC000792953066 824008651 /nfs/dbraw/zinc/00/86/51/824008651.db2.gz WNLBAZKNUQADNV-UHFFFAOYSA-N 0 0 284.381 1.953 20 10 CDCDRN COc1cc([N+](=O)[O-])c(N2CC=CC2)cc1OC ZINC000845562889 824059011 /nfs/dbraw/zinc/05/90/11/824059011.db2.gz SDOWIHCCTAPENC-UHFFFAOYSA-N 0 0 250.254 1.988 20 10 CDCDRN Cn1cc(/C=C\C(=O)N2CCNCc3ccccc32)cn1 ZINC000818543343 824085879 /nfs/dbraw/zinc/08/58/79/824085879.db2.gz QHLDXNOXWKLPRL-SREVYHEPSA-N 0 0 282.347 1.570 20 10 CDCDRN COc1c([O-])c(C[NH2+]CCOC2CCC2)ccc1[N+](=O)[O-] ZINC000775030913 824114651 /nfs/dbraw/zinc/11/46/51/824114651.db2.gz WUXSFALXINYIAX-UHFFFAOYSA-N 0 0 296.323 1.968 20 10 CDCDRN COC(=O)[C@](C)(NC(=O)c1ccc(C)c(O)c1O)C1CC1 ZINC000780945935 824135987 /nfs/dbraw/zinc/13/59/87/824135987.db2.gz SMYSBTTYWPMZDJ-OAHLLOKOSA-N 0 0 293.319 1.478 20 10 CDCDRN COC(=O)c1cnoc1COC(=O)C1=CC(=O)CS1 ZINC000803346187 824153540 /nfs/dbraw/zinc/15/35/40/824153540.db2.gz PFLKUVJZWBZJKU-UHFFFAOYSA-N 0 0 283.261 1.585 20 10 CDCDRN CCCN(CC(=O)N=S(C)(C)=O)Cc1ccccc1O ZINC000878152051 824165862 /nfs/dbraw/zinc/16/58/62/824165862.db2.gz UQRINRPTGVWBLK-UHFFFAOYSA-N 0 0 298.408 1.858 20 10 CDCDRN CO[C@@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000058730905 824169142 /nfs/dbraw/zinc/16/91/42/824169142.db2.gz OJNJYAIYNPDQTJ-VIFPVBQESA-N 0 0 254.305 1.543 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)CCc1ncccn1 ZINC000812475739 824178393 /nfs/dbraw/zinc/17/83/93/824178393.db2.gz YSHGGUZLZCOZPQ-UHFFFAOYSA-N 0 0 271.320 1.773 20 10 CDCDRN CC1(C(=O)NCc2cc(Cl)ccc2O)COC1 ZINC000846473172 824209667 /nfs/dbraw/zinc/20/96/67/824209667.db2.gz JZZSVEZFBJZRGU-UHFFFAOYSA-N 0 0 255.701 1.698 20 10 CDCDRN O=C(NCCc1cccc(O)c1)c1cccc(O)c1O ZINC000187042839 824236538 /nfs/dbraw/zinc/23/65/38/824236538.db2.gz UHOHIGUAVRNNSI-UHFFFAOYSA-N 0 0 273.288 1.776 20 10 CDCDRN C[C@H](CO)[N@H+](C)Cc1c(O)cccc1Br ZINC000862367868 824253816 /nfs/dbraw/zinc/25/38/16/824253816.db2.gz XHAIWBXJUKADON-MRVPVSSYSA-N 0 0 274.158 1.967 20 10 CDCDRN CO[C@H]1COCC[C@@H]1CNC(=O)NCc1ccccc1O ZINC000836573893 824265800 /nfs/dbraw/zinc/26/58/00/824265800.db2.gz KDAUECXPMFBQTC-OCCSQVGLSA-N 0 0 294.351 1.243 20 10 CDCDRN COc1ccc(CNC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)c(O)c1 ZINC000800559630 828629516 /nfs/dbraw/zinc/62/95/16/828629516.db2.gz GSNULUPQXRRZPZ-IMSIIYSGSA-N 0 0 279.336 1.831 20 10 CDCDRN CC(C)OC(=O)CCNC(=O)c1cccc(O)c1O ZINC000790483980 824298268 /nfs/dbraw/zinc/29/82/68/824298268.db2.gz OZVOFXNIVAEWMJ-UHFFFAOYSA-N 0 0 267.281 1.169 20 10 CDCDRN COc1cncc(COC(=O)c2cccc(O)c2O)c1 ZINC000808538396 824328920 /nfs/dbraw/zinc/32/89/20/824328920.db2.gz PQVHNMJFJIUJQN-UHFFFAOYSA-N 0 0 275.260 1.858 20 10 CDCDRN Nc1ccc(NC(=O)/C=C\CN2CCOCC2)cc1 ZINC000876504392 824336812 /nfs/dbraw/zinc/33/68/12/824336812.db2.gz MXBAIKVZGZAKQY-UPHRSURJSA-N 0 0 261.325 1.096 20 10 CDCDRN Cn1cnc(/C=C/C(=O)N2C[C@H](O)Cc3ccccc32)c1 ZINC000935712760 824367659 /nfs/dbraw/zinc/36/76/59/824367659.db2.gz CIIIQKMEQDYSGU-PSKZRQQASA-N 0 0 283.331 1.384 20 10 CDCDRN Cc1ccc(CN2CC[C@@H](O)C(F)(F)C2)c(O)c1 ZINC000877625480 824459508 /nfs/dbraw/zinc/45/95/08/824459508.db2.gz ZBSQYCJPFQJUOO-GFCCVEGCSA-N 0 0 257.280 1.903 20 10 CDCDRN Cc1cc(NS(=O)(=O)N2CC[C@@H](C)C2)ccc1O ZINC000777939980 824514198 /nfs/dbraw/zinc/51/41/98/824514198.db2.gz JQFQTPVWAQCYTN-SECBINFHSA-N 0 0 270.354 1.699 20 10 CDCDRN CC[C@]1(O)CCN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000779343269 824522074 /nfs/dbraw/zinc/52/20/74/824522074.db2.gz RCWPGBZHYAOMKL-AWEZNQCLSA-N 0 0 265.309 1.393 20 10 CDCDRN CC(C)[C@](C)(O)CNC(=O)Nc1ccc(N)cc1 ZINC000841299702 824535391 /nfs/dbraw/zinc/53/53/91/824535391.db2.gz IKPDPSHZBYYXCD-CYBMUJFWSA-N 0 0 251.330 1.797 20 10 CDCDRN CC(=O)c1cn(CC(=O)N[C@H](C)c2ccccc2O)nn1 ZINC000827952188 824551556 /nfs/dbraw/zinc/55/15/56/824551556.db2.gz JCILCNDZYFZHIN-SECBINFHSA-N 0 0 288.307 1.064 20 10 CDCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC1CCC1 ZINC000788462013 828674180 /nfs/dbraw/zinc/67/41/80/828674180.db2.gz LBCJYKDEJGXNKL-UHFFFAOYSA-N 0 0 289.379 1.346 20 10 CDCDRN COCCOC[C@@H](C)NC(=O)NCc1cc(C)ccc1O ZINC000858286696 824685258 /nfs/dbraw/zinc/68/52/58/824685258.db2.gz GCJAZBAWIXVNLV-GFCCVEGCSA-N 0 0 296.367 1.551 20 10 CDCDRN Cc1ccc(C(=O)NCCCCn2ccnc2)c(O)c1O ZINC000780940514 828691384 /nfs/dbraw/zinc/69/13/84/828691384.db2.gz OUCLQSLHWRHJIW-UHFFFAOYSA-N 0 0 289.335 1.813 20 10 CDCDRN Cn1nncc1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708517418 824739504 /nfs/dbraw/zinc/73/95/04/824739504.db2.gz OREIDYYEBWBMAN-UHFFFAOYSA-N 0 0 254.240 1.089 20 10 CDCDRN C[C@H]1OCC[C@]12CN(C(=O)C1=CC(=O)CS1)C[C@@H](C)O2 ZINC000791071362 824802648 /nfs/dbraw/zinc/80/26/48/824802648.db2.gz YVAVZHYMICNTDW-RULNRJAQSA-N 0 0 297.376 1.862 20 10 CDCDRN CO[C@H](C)CN(C)C(=O)NCCc1ccc(N)cc1 ZINC000841956423 824821953 /nfs/dbraw/zinc/82/19/53/824821953.db2.gz DTIRJSBZXJTADE-LLVKDONJSA-N 0 0 265.357 1.488 20 10 CDCDRN CN(C)c1ccc(CN(C)C(=O)Cc2ccc(N)cn2)cc1 ZINC000320042488 824828417 /nfs/dbraw/zinc/82/84/17/824828417.db2.gz RJELPGSFPFWZNB-UHFFFAOYSA-N 0 0 298.390 1.931 20 10 CDCDRN Cc1ccc(C(=O)N2CCc3[nH]cnc3C2)c(O)c1O ZINC000861762571 824829864 /nfs/dbraw/zinc/82/98/64/824829864.db2.gz YMNIFFMUKWQOLV-UHFFFAOYSA-N 0 0 273.292 1.328 20 10 CDCDRN C[C@H]1C[C@@H](C(=O)NCCc2ccc(O)c(O)c2)CO1 ZINC000784447573 824929698 /nfs/dbraw/zinc/92/96/98/824929698.db2.gz VJRCLRKCDVEGFM-GXSJLCMTSA-N 0 0 265.309 1.182 20 10 CDCDRN NC(=O)c1cccc(COC(=O)c2cccc(O)c2O)c1 ZINC000776282791 824936119 /nfs/dbraw/zinc/93/61/19/824936119.db2.gz YNZLKKDCKXWHBG-UHFFFAOYSA-N 0 0 287.271 1.554 20 10 CDCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCN(C)OC)c1 ZINC000850479058 825002788 /nfs/dbraw/zinc/00/27/88/825002788.db2.gz KWHLAKMGGCEDQD-SNVBAGLBSA-N 0 0 282.340 1.323 20 10 CDCDRN CCOCCOCCOC(=O)C1=CC(=O)CS1 ZINC000922437169 825024114 /nfs/dbraw/zinc/02/41/14/825024114.db2.gz IIBRHAYJJHLLBB-UHFFFAOYSA-N 0 0 260.311 1.664 20 10 CDCDRN COC/C(C)=C\C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000845245345 825060899 /nfs/dbraw/zinc/06/08/99/825060899.db2.gz KTNYVTUPAMKFHR-UITAMQMPSA-N 0 0 280.276 1.416 20 10 CDCDRN CCS(=O)(=O)NCCSc1ncc(Cl)s1 ZINC000849998467 825104512 /nfs/dbraw/zinc/10/45/12/825104512.db2.gz GBYLBLYXHWQIOB-UHFFFAOYSA-N 0 0 286.831 1.828 20 10 CDCDRN COc1ccc(CNC(=S)NCC2CC2)c(O)c1 ZINC000849263077 828743399 /nfs/dbraw/zinc/74/33/99/828743399.db2.gz NIBURUGUVQIQNX-UHFFFAOYSA-N 0 0 266.366 1.775 20 10 CDCDRN COC(=O)N[C@H](C(=O)NCc1cc(C)ccc1O)C(C)C ZINC000862760070 825123534 /nfs/dbraw/zinc/12/35/34/825123534.db2.gz KXFNKUPKVMPYQP-ZDUSSCGKSA-N 0 0 294.351 1.697 20 10 CDCDRN COCCOc1ccccc1NC[C@H](O)COC ZINC000819426214 825181823 /nfs/dbraw/zinc/18/18/23/825181823.db2.gz LSPOKLDHPCTHNN-NSHDSACASA-N 0 0 255.314 1.131 20 10 CDCDRN C[C@H](CS(C)(=O)=O)N(C)Cc1c(O)cccc1Cl ZINC000125946710 825189084 /nfs/dbraw/zinc/18/90/84/825189084.db2.gz LUOHNFHTLPXXBG-SECBINFHSA-N 0 0 291.800 1.911 20 10 CDCDRN O=C(NC[C@H]1CCC[C@@H](O)C1)c1c(F)ccc(O)c1O ZINC000790071296 825216539 /nfs/dbraw/zinc/21/65/39/825216539.db2.gz UWKBGCVMOKIJIC-DTWKUNHWSA-N 0 0 283.299 1.518 20 10 CDCDRN Cc1cccc(O)c1CN1CCN(CC[S@@](C)=O)CC1 ZINC000876762170 825220332 /nfs/dbraw/zinc/22/03/32/825220332.db2.gz ASKIYESMHWRUNJ-HXUWFJFHSA-N 0 0 296.436 1.197 20 10 CDCDRN COC1(CNC(=O)c2cccc(O)c2O)CCOCC1 ZINC000790899865 825300347 /nfs/dbraw/zinc/30/03/47/825300347.db2.gz QFMQBBRQRMWFAO-UHFFFAOYSA-N 0 0 281.308 1.023 20 10 CDCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC2(C1)OCCO2 ZINC000779482861 825344651 /nfs/dbraw/zinc/34/46/51/825344651.db2.gz HHSBWFWXUVYGLP-DUXPYHPUSA-N 0 0 291.303 1.086 20 10 CDCDRN COCC[N@H+](CCC(=O)[O-])Cc1ccc(N(C)C)cc1 ZINC000846271614 825392105 /nfs/dbraw/zinc/39/21/05/825392105.db2.gz LUZDKFUPDFMAQA-UHFFFAOYSA-N 0 0 280.368 1.676 20 10 CDCDRN COC(=O)[C@H](CC(F)F)NCc1ccc2c(c1)CCO2 ZINC000789578596 825561970 /nfs/dbraw/zinc/56/19/70/825561970.db2.gz CINFFIVNFKUJMH-NSHDSACASA-N 0 0 285.290 1.908 20 10 CDCDRN COC(=O)c1cc(C)nc(N(C)Cc2ccccc2O)n1 ZINC000804577550 825569393 /nfs/dbraw/zinc/56/93/93/825569393.db2.gz DMWALYIGQNUPDW-UHFFFAOYSA-N 0 0 287.319 1.914 20 10 CDCDRN CCCNC(=O)CCCOC(=O)C1=CC(=O)CS1 ZINC000840227506 828806584 /nfs/dbraw/zinc/80/65/84/828806584.db2.gz DBETWLLPZVBLMS-UHFFFAOYSA-N 0 0 271.338 1.917 20 10 CDCDRN CCOCC(=O)CSc1ncc(C(=O)OC)s1 ZINC000829678114 825611296 /nfs/dbraw/zinc/61/12/96/825611296.db2.gz ZIMRDOUOAALCQA-UHFFFAOYSA-N 0 0 275.351 1.627 20 10 CDCDRN COC[C@H](O)CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000801763848 828806866 /nfs/dbraw/zinc/80/68/66/828806866.db2.gz OJKHUSLXOZPKTG-BXUZGUMPSA-N 0 0 295.383 1.120 20 10 CDCDRN COc1ccc(-c2nc(SCC(=O)C(C)=O)n[nH]2)cc1 ZINC000808015026 828806225 /nfs/dbraw/zinc/80/62/25/828806225.db2.gz JLYQOBMFCQDQJG-UHFFFAOYSA-N 0 0 291.332 1.731 20 10 CDCDRN COc1ccc(CNC(=O)Nc2ccon2)c(O)c1 ZINC000797640063 825705657 /nfs/dbraw/zinc/70/56/57/825705657.db2.gz RKBMJBJLGJQAFK-UHFFFAOYSA-N 0 0 263.253 1.711 20 10 CDCDRN Cc1n[nH]cc1CNC(=O)N[C@H](C)c1ccccc1O ZINC000875095611 828816314 /nfs/dbraw/zinc/81/63/14/828816314.db2.gz NHZCCELYVUIENF-SNVBAGLBSA-N 0 0 274.324 1.984 20 10 CDCDRN CC(C)[C@@]1(C)C[C@H]1NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841141944 825732259 /nfs/dbraw/zinc/73/22/59/825732259.db2.gz SFJVJUCBQUPSLO-IUODEOHRSA-N 0 0 275.352 1.758 20 10 CDCDRN CO[C@H]1COCC[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000824709015 825754403 /nfs/dbraw/zinc/75/44/03/825754403.db2.gz MBCZONLIVAJJSV-YGRLFVJLSA-N 0 0 296.323 1.442 20 10 CDCDRN COCCNCC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000817964973 825802565 /nfs/dbraw/zinc/80/25/65/825802565.db2.gz LSXNMHFXKSRROJ-JTQLQIEISA-N 0 0 256.321 1.418 20 10 CDCDRN C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@]1(C)CO ZINC000856250331 825811686 /nfs/dbraw/zinc/81/16/86/825811686.db2.gz IFFVNWHSALBKCY-VXVJOXDZSA-N 0 0 291.347 1.588 20 10 CDCDRN C[C@@H](O)C[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000782912363 825816789 /nfs/dbraw/zinc/81/67/89/825816789.db2.gz IOPBOQWKWHNGNL-VXGBXAGGSA-N 0 0 279.384 1.711 20 10 CDCDRN COc1cc2c(c(OC)c1)N(CC(=O)NC1CC1)CCC2 ZINC000839654174 825816810 /nfs/dbraw/zinc/81/68/10/825816810.db2.gz LLKSRVJIHNEDLH-UHFFFAOYSA-N 0 0 290.363 1.735 20 10 CDCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H](O)C2CCC2)c1 ZINC000825240460 825864631 /nfs/dbraw/zinc/86/46/31/825864631.db2.gz LYUGYGHZSOCDQJ-CYBMUJFWSA-N 0 0 266.297 1.551 20 10 CDCDRN CC[C@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)C(=O)OC ZINC000790788406 825904356 /nfs/dbraw/zinc/90/43/56/825904356.db2.gz WCAHPTPZCWTAFA-MWLCHTKSSA-N 0 0 295.335 1.777 20 10 CDCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H](O)C1CCC1 ZINC000837113857 825949207 /nfs/dbraw/zinc/94/92/07/825949207.db2.gz JQGINNKWVSTKQF-BRLPQQTGSA-N 0 0 277.320 1.388 20 10 CDCDRN CC(C)n1ncnc1COC(=O)c1cccc(O)c1O ZINC000801311310 826009277 /nfs/dbraw/zinc/00/92/77/826009277.db2.gz IGOGWMZIAOFTLW-UHFFFAOYSA-N 0 0 277.280 1.627 20 10 CDCDRN CC(=O)C(=O)COC(=O)[C@]1(C)OCCc2ccccc21 ZINC000885088741 826015775 /nfs/dbraw/zinc/01/57/75/826015775.db2.gz XWYMQZMETUFMKF-OAHLLOKOSA-N 0 0 276.288 1.176 20 10 CDCDRN C[C@H]1C[C@@H](CNC(=O)NCCc2ccc(N)cc2)CCO1 ZINC000841870049 826110997 /nfs/dbraw/zinc/11/09/97/826110997.db2.gz VNGNSLUDCPUQMJ-JSGCOSHPSA-N 0 0 291.395 1.926 20 10 CDCDRN C[C@H]1COCCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000779542845 826142681 /nfs/dbraw/zinc/14/26/81/826142681.db2.gz SWNYQHVSXDLURN-USEMIUTHSA-N 0 0 277.320 1.606 20 10 CDCDRN CN1C(=O)Cc2cc(NC(=O)c3cccc(O)c3O)ccc21 ZINC000790098674 826164102 /nfs/dbraw/zinc/16/41/02/826164102.db2.gz ZRJMCJFGCUHFRJ-UHFFFAOYSA-N 0 0 298.298 1.869 20 10 CDCDRN CC[C@@H]1CC[C@@H](C(=O)NCc2ccc(OC)cc2O)O1 ZINC000794374485 826211602 /nfs/dbraw/zinc/21/16/02/826211602.db2.gz UYXMZMHZCQBFRO-RISCZKNCSA-N 0 0 279.336 1.975 20 10 CDCDRN CCc1cccc(CN2CC(S(C)(=O)=O)C2)c1O ZINC000848914829 826215454 /nfs/dbraw/zinc/21/54/54/826215454.db2.gz OIYGLVJKERFKOQ-UHFFFAOYSA-N 0 0 269.366 1.183 20 10 CDCDRN CO[C@@H]1COC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000839191578 826261745 /nfs/dbraw/zinc/26/17/45/826261745.db2.gz BDVFAQMUBZZMCS-WDEREUQCSA-N 0 0 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CNC(=O)c1ncc(-c2ccn(C)c(=O)c2)cc1C ZINC001240998311 946140525 /nfs/dbraw/zinc/14/05/25/946140525.db2.gz ROKJRCGYGCZBEU-UHFFFAOYSA-N 0 0 257.293 1.115 20 10 CDCDRN COCCn1ccc(-c2cnc(N(C)C)cc2C)cc1=O ZINC001241252298 946201548 /nfs/dbraw/zinc/20/15/48/946201548.db2.gz RMWKXJNKNXBDLG-UHFFFAOYSA-N 0 0 287.363 1.931 20 10 CDCDRN Cc1cc(-c2nccn2C)c(-c2cnc(N)nc2C)nn1 ZINC001241645899 946412156 /nfs/dbraw/zinc/41/21/56/946412156.db2.gz ZUFNEMFIWJYGTK-UHFFFAOYSA-N 0 0 281.323 1.533 20 10 CDCDRN COc1cccc(C[N@@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)c1O ZINC000399011524 951626173 /nfs/dbraw/zinc/62/61/73/951626173.db2.gz RPRRUHRAPSFDMR-PWSUYJOCSA-N 0 0 279.336 1.943 20 10 CDCDRN CC(C)(C)OC[C@H](O)CNc1cccc(O)c1O ZINC001253465545 951920136 /nfs/dbraw/zinc/92/01/36/951920136.db2.gz YGQUJISQQWBAKD-SECBINFHSA-N 0 0 255.314 1.686 20 10 CDCDRN CCOC(=O)C(C)(C)c1cn(-c2ccc(N)cc2)nn1 ZINC001254080604 952187273 /nfs/dbraw/zinc/18/72/73/952187273.db2.gz MQLQARKDCHJHCT-UHFFFAOYSA-N 0 0 274.324 1.690 20 10 CDCDRN O=C(Nc1c2nonc2ccc1Cl)c1ccncn1 ZINC001325344773 953852114 /nfs/dbraw/zinc/85/21/14/953852114.db2.gz IAVRGPHANIPMHV-UHFFFAOYSA-N 0 0 275.655 1.919 20 10 CDCDRN CC(=O)N1CC[C@@H](CN(C)C(=O)c2cccc(O)c2O)C1 ZINC001326766539 954535095 /nfs/dbraw/zinc/53/50/95/954535095.db2.gz WVYUTMZEPKNMLY-NSHDSACASA-N 0 0 292.335 1.038 20 10 CDCDRN COc1cccc([C@H](C)NCc2nnc(C)n2C)c1O ZINC001327322534 954826028 /nfs/dbraw/zinc/82/60/28/954826028.db2.gz BKRUPIOONQPMTK-VIFPVBQESA-N 0 0 276.340 1.689 20 10 CDCDRN CC(C)n1ccc(C(=O)NCc2cc(O)ccc2O)n1 ZINC001303223487 956066183 /nfs/dbraw/zinc/06/61/83/956066183.db2.gz RHNGJOSHQOPOTI-UHFFFAOYSA-N 0 0 275.308 1.805 20 10 CDCDRN CC[C@H](C)N(CC)C(=O)C(=O)NCCc1ccc(N)cc1 ZINC001329838617 956136175 /nfs/dbraw/zinc/13/61/75/956136175.db2.gz SZHZQNKKBMHQHJ-LBPRGKRZSA-N 0 0 291.395 1.575 20 10 CDCDRN O=C(NCc1c(O)cccc1O)[C@]12CCC[C@H]1OCC2 ZINC001304053060 956156210 /nfs/dbraw/zinc/15/62/10/956156210.db2.gz AZTSLWIWQJOTQE-HIFRSBDPSA-N 0 0 277.320 1.673 20 10 CDCDRN Cc1nnc2n1CCN(C(=O)c1cccc(O)c1O)[C@@H]2C ZINC001306033772 956294480 /nfs/dbraw/zinc/29/44/80/956294480.db2.gz LEZAPOGPEDGDEF-MRVPVSSYSA-N 0 0 288.307 1.215 20 10 CDCDRN O=C(NCc1ccns1)c1c(F)ccc(O)c1O ZINC001306877277 956343937 /nfs/dbraw/zinc/34/39/37/956343937.db2.gz NTKJPCGUXCDMLD-UHFFFAOYSA-N 0 0 268.269 1.623 20 10 CDCDRN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1nnnn1C ZINC001308542064 956540690 /nfs/dbraw/zinc/54/06/90/956540690.db2.gz CPHVLEPWQPDPJC-SECBINFHSA-N 0 0 278.335 1.266 20 10 CDCDRN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001308691333 956562875 /nfs/dbraw/zinc/56/28/75/956562875.db2.gz BQQZRDAOECFHET-HNXYLICVSA-N 0 0 296.317 1.756 20 10 CDCDRN C[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1c([O-])cccc1F ZINC001332365970 957535456 /nfs/dbraw/zinc/53/54/56/957535456.db2.gz SLGSZYMRUDJTJO-NWDGAFQWSA-N 0 0 282.359 1.903 20 10 CDCDRN C[C@@H](NC(=O)CO[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC001321419490 959776784 /nfs/dbraw/zinc/77/67/84/959776784.db2.gz HJCZTMGDNYJAKP-IUODEOHRSA-N 0 0 292.379 1.735 20 10 CDCDRN O=C(C1=CC(=O)CS1)N1CCSC[C@@H]1CO ZINC001335875539 960077038 /nfs/dbraw/zinc/07/70/38/960077038.db2.gz MZENUAMLISHKDY-ZETCQYMHSA-N 0 0 259.352 1.004 20 10 CDCDRN C[C@@](O)(CNC(=O)NCc1ccc(N)cc1)C1CC1 ZINC001338791916 961997204 /nfs/dbraw/zinc/99/72/04/961997204.db2.gz CGWLHEKJKYNMOJ-CQSZACIVSA-N 0 0 263.341 1.229 20 10 CDCDRN O=C([O-])C[N@@H+](Cc1ccccc1O)C1CCOCC1 ZINC001339150415 962207741 /nfs/dbraw/zinc/20/77/41/962207741.db2.gz CJMOJWZDAIQQMF-UHFFFAOYSA-N 0 0 265.309 1.458 20 10 CDCDRN CN(C)c1ccc(CNC(=O)C(=O)NCC2(C)CC2)cc1 ZINC001342600671 963775150 /nfs/dbraw/zinc/77/51/50/963775150.db2.gz CPVSCGYMNRSYGW-UHFFFAOYSA-N 0 0 289.379 1.285 20 10 CDCDRN Nc1ccc(CNC(=O)N2CCC[C@@H](CO)C2)cc1 ZINC001346738742 965234655 /nfs/dbraw/zinc/23/46/55/965234655.db2.gz KAOAKSOFCJEENW-GFCCVEGCSA-N 0 0 263.341 1.183 20 10 CDCDRN CC(=O)N1CCN(C(=O)C2=CC(=O)CS2)C(C)(C)C1 ZINC001347741957 965679634 /nfs/dbraw/zinc/67/96/34/965679634.db2.gz FRJOLNDVDLMERA-UHFFFAOYSA-N 0 0 282.365 1.537 20 10 CDCDRN CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2C=CCC2)cc1 ZINC001350638643 966723366 /nfs/dbraw/zinc/72/33/66/966723366.db2.gz GNOUTWJRPMTVLH-CYBMUJFWSA-N 0 0 287.363 1.204 20 10 CDCDRN CC[C@@H](C)CNC(=S)NCC(=O)c1ccc(O)c(O)c1 ZINC001200281215 967817524 /nfs/dbraw/zinc/81/75/24/967817524.db2.gz QCWNMKLRBJIIOA-SECBINFHSA-N 0 0 296.392 1.791 20 10 CDCDRN C[C@@H]1SCC[C@H]1NC(=O)NCc1ccc(N)cc1 ZINC001353438067 967981760 /nfs/dbraw/zinc/98/17/60/967981760.db2.gz ITBKODODNQPWMQ-JOYOIKCWSA-N 0 0 265.382 1.962 20 10 CDCDRN NOCCCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001353502640 968023861 /nfs/dbraw/zinc/02/38/61/968023861.db2.gz UWXXTHMUAGSHDT-UHFFFAOYSA-N 0 0 293.367 1.351 20 10 CDCDRN CCN(CC(C)(C)O)C(=O)NCc1ccc(N)cc1 ZINC001353540325 968056153 /nfs/dbraw/zinc/05/61/53/968056153.db2.gz SWKHDNOPRHXQGV-UHFFFAOYSA-N 0 0 265.357 1.571 20 10 CDCDRN Cc1ccc(O)c(CNC(=O)NCCC[S@@](C)=O)c1 ZINC001354074017 968456980 /nfs/dbraw/zinc/45/69/80/968456980.db2.gz MLFVLJAZSNGJEN-LJQANCHMSA-N 0 0 284.381 1.268 20 10 CDCDRN Cn1nccc1[C@@H]([NH2+]Cc1cc(F)ccc1O)C(=O)[O-] ZINC001605567355 973812200 /nfs/dbraw/zinc/81/22/00/973812200.db2.gz DDEAKWJDIMVKDF-GFCCVEGCSA-N 0 0 279.271 1.180 20 10 CDCDRN CC[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c1ccccc1O ZINC001595316516 980484322 /nfs/dbraw/zinc/48/43/22/980484322.db2.gz FQYKRNTYPIWEHG-JBLDHEPKSA-N 0 0 294.351 1.411 20 10 CDCDRN CCN(CC)C(=O)C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001596247765 983648328 /nfs/dbraw/zinc/64/83/28/983648328.db2.gz JSTPNSDACLLECJ-SNVBAGLBSA-N 0 0 294.351 1.609 20 10 CDCDRN CC(=O)c1cc(F)cc(C[NH2+][C@H](C(=O)[O-])C2CC2)c1O ZINC001589271103 985969863 /nfs/dbraw/zinc/96/98/63/985969863.db2.gz NDIZDSTXLKZIIL-LBPRGKRZSA-N 0 0 281.283 1.687 20 10 CDCDRN CCOc1cccc(C[N@@H+]2CC[C@](F)(C(=O)[O-])C2)c1O ZINC001597154756 986941804 /nfs/dbraw/zinc/94/18/04/986941804.db2.gz BAQGMYWPMZDERK-CQSZACIVSA-N 0 0 283.299 1.790 20 10 CDCDRN CCN(CC)c1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC001605434886 1163563760 /nfs/dbraw/zinc/56/37/60/1163563760.db2.gz HRFCWXXMEUOHFZ-LSDHHAIUSA-N 0 0 292.379 1.553 20 10 CDCDRN CN(C)c1ccc(C[NH2+][C@H]2CCO[C@H]2C(=O)[O-])cc1 ZINC001606055694 1163757519 /nfs/dbraw/zinc/75/75/19/1163757519.db2.gz MXURCLJYYFLGST-QWHCGFSZSA-N 0 0 264.325 1.084 20 10 CDCDRN CC(=O)c1cnccc1NC(=O)Cc1ccc(N)cc1 ZINC001575045461 1171096292 /nfs/dbraw/zinc/09/62/92/1171096292.db2.gz LHEQIGWOHCIDKW-UHFFFAOYSA-N 0 0 269.304 1.470 20 10 CDCDRN COCCOCCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000274189492 365585100 /nfs/dbraw/zinc/58/51/00/365585100.db2.gz LKMYNNGMHQZTRR-NSHDSACASA-N 0 0 297.351 1.198 20 10 CDCDRN COC(=O)[C@H](C)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000052466633 345242790 /nfs/dbraw/zinc/24/27/90/345242790.db2.gz SIAXEHZPHPSGBI-ZDUSSCGKSA-N 0 0 292.379 1.769 20 10 CDCDRN COC(=O)[C@H](NCc1cc(OC)c(OC)cc1O)C1CC1 ZINC000276459039 345375783 /nfs/dbraw/zinc/37/57/83/345375783.db2.gz LBKFXBYBQNTPGD-CQSZACIVSA-N 0 0 295.335 1.451 20 10 CDCDRN C[C@H](CO)CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000053754919 347753394 /nfs/dbraw/zinc/75/33/94/347753394.db2.gz PFKFKPPUGZCJGS-NSHDSACASA-N 0 0 265.357 1.180 20 10 CDCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cc[n+]([O-])cc1 ZINC000041365467 348705924 /nfs/dbraw/zinc/70/59/24/348705924.db2.gz KADCNROOGKMQTC-UHFFFAOYSA-N 0 0 297.358 1.850 20 10 CDCDRN O=C(C=Cc1c[nH]cn1)N1CCOc2ccncc21 ZINC000492857261 366184249 /nfs/dbraw/zinc/18/42/49/366184249.db2.gz CYUJLNVFSNGMNV-UPHRSURJSA-N 0 0 256.265 1.244 20 10 CDCDRN Oc1ccc(F)cc1CN1CCN(c2cnccn2)CC1 ZINC000179935888 357232271 /nfs/dbraw/zinc/23/22/71/357232271.db2.gz RJSZJWUEHCMTTD-UHFFFAOYSA-N 0 0 288.326 1.644 20 10 CDCDRN Cc1nnc(C(=O)N(C)Cc2ccccc2O)s1 ZINC000183331408 357458686 /nfs/dbraw/zinc/45/86/86/357458686.db2.gz RGGDRBUDPCVBCG-UHFFFAOYSA-N 0 0 263.322 1.824 20 10 CDCDRN COC(=O)[C@H]1[C@H](O)CCCN1Cc1cccc(C)c1O ZINC000188791081 357938244 /nfs/dbraw/zinc/93/82/44/357938244.db2.gz IVAHTKZRHHRRHQ-CHWSQXEVSA-N 0 0 279.336 1.199 20 10 CDCDRN CC[C@]1(CO)CCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000189176970 357978744 /nfs/dbraw/zinc/97/87/44/357978744.db2.gz HZQLGSMFCJMCFB-BIENSFFJSA-N 0 0 291.347 1.875 20 10 CDCDRN COC(=O)c1cnc(SC[C@H](O)CSC)s1 ZINC000296320212 199852403 /nfs/dbraw/zinc/85/24/03/199852403.db2.gz SUOFEFFHXKRGTQ-ZCFIWIBFSA-N 0 0 279.408 1.746 20 10 CDCDRN CCCOc1ccc(CN2CC(O)(COC)C2)c(O)c1 ZINC000297295853 200138470 /nfs/dbraw/zinc/13/84/70/200138470.db2.gz BGFYANUZWCALMD-UHFFFAOYSA-N 0 0 281.352 1.374 20 10 CDCDRN CN1C[C@H]([NH2+]Cc2c(O)cccc2Cl)CC1=O ZINC000264999326 360388172 /nfs/dbraw/zinc/38/81/72/360388172.db2.gz ZBUZNBBGEBZMSR-MRVPVSSYSA-N 0 0 254.717 1.366 20 10 CDCDRN C[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000278662677 299313150 /nfs/dbraw/zinc/31/31/50/299313150.db2.gz FMYFATXIMGGTFS-BHDSKKPTSA-N 0 0 296.323 1.491 20 10 CDCDRN CC[C@H]1CC[C@@H](C(=O)NCCc2ccc(N)cc2)O1 ZINC000269144335 364145285 /nfs/dbraw/zinc/14/52/85/364145285.db2.gz AMICSNXYZYAMHQ-KBPBESRZSA-N 0 0 262.353 1.885 20 10 CDCDRN COC(=O)[C@]1(F)CCN(Cc2cc(F)ccc2O)C1 ZINC000272378059 365212927 /nfs/dbraw/zinc/21/29/27/365212927.db2.gz HIZUSIGOSAFKFW-ZDUSSCGKSA-N 0 0 271.263 1.618 20 10 CDCDRN COC(=O)[C@]1(F)CCN(Cc2cccc(F)c2O)C1 ZINC000272525865 365277376 /nfs/dbraw/zinc/27/73/76/365277376.db2.gz YXPVRSWUNOYSMB-ZDUSSCGKSA-N 0 0 271.263 1.618 20 10 CDCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cnn(C)c2)c1 ZINC000273432751 365494916 /nfs/dbraw/zinc/49/49/16/365494916.db2.gz WGTNQWAFQGMLMU-SNVBAGLBSA-N 0 0 289.335 1.763 20 10 CDCDRN CN(C)c1ccc(CN2CC[C@H](S(C)(=O)=O)C2)cc1 ZINC000282204589 367772628 /nfs/dbraw/zinc/77/26/28/367772628.db2.gz OCTYBVOLZHWQNO-AWEZNQCLSA-N 0 0 282.409 1.372 20 10 CDCDRN O=C([O-])[C@]1([NH2+]Cc2ccc3c(c2)CCO3)CCSC1 ZINC000284235794 368506483 /nfs/dbraw/zinc/50/64/83/368506483.db2.gz NIXALECKVBSGBQ-AWEZNQCLSA-N 0 0 279.361 1.671 20 10 CDCDRN CC[C@H]([NH2+]C[C@@H](O)COC)c1ccc(F)cc1[O-] ZINC000286036574 368687007 /nfs/dbraw/zinc/68/70/07/368687007.db2.gz KIPDGGXJUWLPTO-PWSUYJOCSA-N 0 0 257.305 1.579 20 10 CDCDRN C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273429300 296127810 /nfs/dbraw/zinc/12/78/10/296127810.db2.gz VFLKYYKEMUQFQO-LHLIQPBNSA-N 0 0 294.229 1.874 20 10 CDCDRN Cc1nnc([C@@H](C)NC(=O)c2c(F)ccc(O)c2O)s1 ZINC000295025117 371120316 /nfs/dbraw/zinc/12/03/16/371120316.db2.gz UZMZKNQWEVTLJF-RXMQYKEDSA-N 0 0 297.311 1.888 20 10 CDCDRN Cc1cc(C(=O)N(C)CC(N)=O)c(C)n1-c1ccccc1C ZINC000298502273 372152581 /nfs/dbraw/zinc/15/25/81/372152581.db2.gz PNNHNJQNHQYSHB-UHFFFAOYSA-N 0 0 299.374 1.960 20 10 CDCDRN C[C@@H]1C(=O)N(Cc2ccc(N(C)C)c(F)c2)C(=O)N1C ZINC000277902374 296257640 /nfs/dbraw/zinc/25/76/40/296257640.db2.gz PPQJIAPPMGSIDN-SECBINFHSA-N 0 0 279.315 1.674 20 10 CDCDRN CO[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC000294326335 378630023 /nfs/dbraw/zinc/63/00/23/378630023.db2.gz ASALBZPQBCPWLH-UFZAZABTSA-N 0 0 277.320 1.652 20 10 CDCDRN Clc1cnc(Sc2cncc(-c3nn[nH]n3)n2)s1 ZINC001581745936 1172619950 /nfs/dbraw/zinc/61/99/50/1172619950.db2.gz XGHAXFSPGMIMCS-UHFFFAOYSA-N 0 0 297.756 1.918 20 10 CDCDRN COc1ccc(N2CCN(C(=O)CCC(C)=O)CC2)cc1 ZINC000041460688 390467519 /nfs/dbraw/zinc/46/75/19/390467519.db2.gz PFGWLDOFSCLVJV-UHFFFAOYSA-N 0 0 290.363 1.713 20 10 CDCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC(=O)N1 ZINC000120572943 390872644 /nfs/dbraw/zinc/87/26/44/390872644.db2.gz NDDPIWPWQKUNIM-GFCCVEGCSA-N 0 0 276.336 1.409 20 10 CDCDRN CCC(=O)N1CC[C@@H](C(=O)N(C)Cc2ccccc2O)C1 ZINC000119604320 390853526 /nfs/dbraw/zinc/85/35/26/390853526.db2.gz RWOJFWBJOGCKID-CYBMUJFWSA-N 0 0 290.363 1.609 20 10 CDCDRN CN(CCCS(C)(=O)=O)c1ccc2c(c1)OCO2 ZINC000121293466 390883386 /nfs/dbraw/zinc/88/33/86/390883386.db2.gz OPMZFHLCPFQUNY-UHFFFAOYSA-N 0 0 271.338 1.286 20 10 CDCDRN Cc1nc([C@H]2COCCN2Cc2cc(F)ccc2O)no1 ZINC000373111438 391106143 /nfs/dbraw/zinc/10/61/43/391106143.db2.gz HGWRWVMFKKJUKD-GFCCVEGCSA-N 0 0 293.298 1.796 20 10 CDCDRN COc1ccc(CNC(=O)[C@H]2C[C@@]23CCOC3)c(O)c1 ZINC000373665665 391126557 /nfs/dbraw/zinc/12/65/57/391126557.db2.gz IUNBLWVWBJNQAL-IUODEOHRSA-N 0 0 277.320 1.444 20 10 CDCDRN COc1cccc(CNC(=O)CC[C@@H]2CCOC2)c1O ZINC000176130769 391147968 /nfs/dbraw/zinc/14/79/68/391147968.db2.gz KJRKATXZIANINT-LLVKDONJSA-N 0 0 279.336 1.834 20 10 CDCDRN CCCCCN1CC(=O)N[C@@H]1c1cc(O)c(O)c(OC)c1 ZINC000182313117 391233043 /nfs/dbraw/zinc/23/30/43/391233043.db2.gz XYCWNCIEWFMNQT-HNNXBMFYSA-N 0 0 294.351 1.727 20 10 CDCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2CCCC(=O)N2)cc1 ZINC000270325545 391270701 /nfs/dbraw/zinc/27/07/01/391270701.db2.gz WFVYIKCSMSPOBG-CQSZACIVSA-N 0 0 289.379 1.380 20 10 CDCDRN CC(C)NC(=O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273376967 391324894 /nfs/dbraw/zinc/32/48/94/391324894.db2.gz HJBMDIGZPBJMCM-SECBINFHSA-N 0 0 281.312 1.476 20 10 CDCDRN COc1c(O)c(CN2CCO[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278332722 286187008 /nfs/dbraw/zinc/18/70/08/286187008.db2.gz ZMSCFTYSRAHOOR-UWVGGRQHSA-N 0 0 296.323 1.918 20 10 CDCDRN CC[C@@H]1CO[C@@H](C)CN1C(=O)c1cccc(O)c1O ZINC000126284134 260349481 /nfs/dbraw/zinc/34/94/81/260349481.db2.gz 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DMIQHURQKWTOFI-JTQLQIEISA-N 0 0 263.249 1.154 20 10 CDCDRN O=C(NCC[NH2+]Cc1c(O)cccc1Cl)c1ccn[nH]1 ZINC000779994744 710218621 /nfs/dbraw/zinc/21/86/21/710218621.db2.gz TUXOAFLIFOLSGW-UHFFFAOYSA-N 0 0 294.742 1.288 20 10 CDCDRN Cn1nccc1/C=C1\SC(N2CCCCC2)=NC1=O ZINC000023107905 710232497 /nfs/dbraw/zinc/23/24/97/710232497.db2.gz YXFACQRKQGKDJC-LUAWRHEFSA-N 0 0 276.365 1.876 20 10 CDCDRN COCCO[C@H]1CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000782057538 710256702 /nfs/dbraw/zinc/25/67/02/710256702.db2.gz CMVZMOVHQXTYCG-JTQLQIEISA-N 0 0 271.338 1.331 20 10 CDCDRN COc1cccc(O)c1CN[C@@H](C)C(=O)OC(C)C ZINC000825117996 710294201 /nfs/dbraw/zinc/29/42/01/710294201.db2.gz NOXFJJJIKPSMTI-JTQLQIEISA-N 0 0 267.325 1.831 20 10 CDCDRN COc1ccc(O)c(CNCc2cn(C(C)C)nn2)c1 ZINC000808390417 710317974 /nfs/dbraw/zinc/31/79/74/710317974.db2.gz UIHRHGIYZZCFAN-UHFFFAOYSA-N 0 0 276.340 1.863 20 10 CDCDRN C[C@@H]1CN(C(=O)CSc2nccs2)CCO1 ZINC000077582132 710320980 /nfs/dbraw/zinc/32/09/80/710320980.db2.gz XNYHRTRSAQBXHJ-MRVPVSSYSA-N 0 0 258.368 1.483 20 10 CDCDRN CN(C[C@@H](O)C1CC1)C(=O)NCCc1ccc(N)cc1 ZINC000841956694 710328418 /nfs/dbraw/zinc/32/84/18/710328418.db2.gz DXWRMJUWVMDQAO-CQSZACIVSA-N 0 0 277.368 1.224 20 10 CDCDRN Nc1ccc(CCNC(=O)N2CCOCC(F)(F)C2)cc1 ZINC000841956461 710362743 /nfs/dbraw/zinc/36/27/43/710362743.db2.gz FIIQCIQYWWKHTF-UHFFFAOYSA-N 0 0 299.321 1.488 20 10 CDCDRN COc1ccc(CNC(=O)c2cccc(O)c2O)cc1O ZINC000776676705 710380033 /nfs/dbraw/zinc/38/00/33/710380033.db2.gz CDABTPDPLKKWGK-UHFFFAOYSA-N 0 0 289.287 1.742 20 10 CDCDRN Cc1nn(C)cc1S(=O)(=O)Nc1ccc(O)cc1F ZINC000808105673 710381442 /nfs/dbraw/zinc/38/14/42/710381442.db2.gz LTLVGFIWZIFKLX-UHFFFAOYSA-N 0 0 285.300 1.374 20 10 CDCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cccc(=O)[nH]2)c1 ZINC000801615189 710382191 /nfs/dbraw/zinc/38/21/91/710382191.db2.gz DAYAWFUQDYYULJ-VIFPVBQESA-N 0 0 288.303 1.992 20 10 CDCDRN CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000834898615 710386242 /nfs/dbraw/zinc/38/62/42/710386242.db2.gz ABICIMYAIKHBJW-NXEZZACHSA-N 0 0 294.351 1.354 20 10 CDCDRN CC1(C)CN(C(=O)C2=CC(=O)CS2)[C@@H]2COC[C@@H]21 ZINC000839792769 710400818 /nfs/dbraw/zinc/40/08/18/710400818.db2.gz NRMRZXOYDJFKJD-VHSXEESVSA-N 0 0 267.350 1.951 20 10 CDCDRN Nc1ccc(OCc2cn(C[C@@H]3CCOC3)nn2)cc1 ZINC000864626731 710412947 /nfs/dbraw/zinc/41/29/47/710412947.db2.gz BCQIMPDXIZBOKQ-NSHDSACASA-N 0 0 274.324 1.476 20 10 CDCDRN CO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC000843427474 710419970 /nfs/dbraw/zinc/41/99/70/710419970.db2.gz CPIHGNQFQFGDPO-HUUCEWRRSA-N 0 0 264.369 1.564 20 10 CDCDRN CO[C@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)C1CC1 ZINC000795833223 710436988 /nfs/dbraw/zinc/43/69/88/710436988.db2.gz QBRJSAYHKKRMLU-ZDUSSCGKSA-N 0 0 280.276 1.249 20 10 CDCDRN CC[C@@]1(O)CCCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000881297227 710441837 /nfs/dbraw/zinc/44/18/37/710441837.db2.gz HJNVCTQZFRTIBC-CQSZACIVSA-N 0 0 283.299 1.614 20 10 CDCDRN CC(C)[C@@H]1CN(C(=O)Cc2ccc(N)cc2)CCO1 ZINC000708884652 710449498 /nfs/dbraw/zinc/44/94/98/710449498.db2.gz ZKZNELROOVXPHZ-AWEZNQCLSA-N 0 0 262.353 1.695 20 10 CDCDRN Cc1nn(C)c(C)c1C(=O)NCc1ccccc1O ZINC000082284677 710452862 /nfs/dbraw/zinc/45/28/62/710452862.db2.gz KRBPRBMMKFSWTL-UHFFFAOYSA-N 0 0 259.309 1.673 20 10 CDCDRN CCN1CC[C@@H](NC(=O)NCc2cc(C)ccc2O)C1=O ZINC000858431467 710453218 /nfs/dbraw/zinc/45/32/18/710453218.db2.gz BXSPOPYGLFMZEF-GFCCVEGCSA-N 0 0 291.351 1.121 20 10 CDCDRN COc1ccc(O)c(CN(C)[C@@H]2CC(C)(C)OC2=O)c1 ZINC000814178793 710481156 /nfs/dbraw/zinc/48/11/56/710481156.db2.gz DFHOCNAMUYQDQT-GFCCVEGCSA-N 0 0 279.336 1.927 20 10 CDCDRN O=C(COC(=O)c1cccc(O)c1O)c1cscn1 ZINC000805531954 710498894 /nfs/dbraw/zinc/49/88/94/710498894.db2.gz JZWDUZLUIZNGLK-UHFFFAOYSA-N 0 0 279.273 1.594 20 10 CDCDRN CCN1CCC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1=O ZINC000722350743 710515649 /nfs/dbraw/zinc/51/56/49/710515649.db2.gz GYNQWUKRULXPPM-GFCCVEGCSA-N 0 0 266.316 1.632 20 10 CDCDRN CN(C)c1nccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])n1 ZINC000883083390 710549329 /nfs/dbraw/zinc/54/93/29/710549329.db2.gz KINPZDMZLXVTJU-UHFFFAOYSA-N 0 0 294.305 1.816 20 10 CDCDRN O=C(N[C@H]1COc2ccccc2[C@H]1O)C1=CC(=O)CS1 ZINC000811575633 710555272 /nfs/dbraw/zinc/55/52/72/710555272.db2.gz NVNSOTCEHGAGKX-GXFFZTMASA-N 0 0 291.328 1.678 20 10 CDCDRN COc1cc(OC)nc(NCc2ccccc2O)n1 ZINC000083444253 710575362 /nfs/dbraw/zinc/57/53/62/710575362.db2.gz XIJZGIYQBXLTFW-UHFFFAOYSA-N 0 0 261.281 1.812 20 10 CDCDRN CCOc1cccc(C[N@@H+]2CCSC[C@@H]2CO)c1O ZINC000877779894 710578689 /nfs/dbraw/zinc/57/86/89/710578689.db2.gz HOOPUCUPMIWOCL-LBPRGKRZSA-N 0 0 283.393 1.701 20 10 CDCDRN CCc1c(C(=O)NCc2cc(C)ccc2O)cnn1C ZINC000862759595 710588100 /nfs/dbraw/zinc/58/81/00/710588100.db2.gz GVWJXKQJFCBPHX-UHFFFAOYSA-N 0 0 273.336 1.927 20 10 CDCDRN C[C@H](NC(=O)N1CC[C@H]1CO)c1ccc(N(C)C)cc1 ZINC000894287543 710619143 /nfs/dbraw/zinc/61/91/43/710619143.db2.gz VNSWFNCGALPLGQ-FZMZJTMJSA-N 0 0 277.368 1.590 20 10 CDCDRN Cc1cccc(CNc2cccc(NC(=O)C(N)=O)c2)c1O ZINC000802656248 710669225 /nfs/dbraw/zinc/66/92/25/710669225.db2.gz MTPVVWDWMHAKGY-UHFFFAOYSA-N 0 0 299.330 1.737 20 10 CDCDRN COc1ccc(O)c(CNc2cncc(-n3cccn3)n2)c1 ZINC000811805160 710669989 /nfs/dbraw/zinc/66/99/89/710669989.db2.gz KZWNETQPKNLTAX-UHFFFAOYSA-N 0 0 297.318 1.989 20 10 CDCDRN COc1cccc(CNC(=O)OCCCF)c1O ZINC000841493274 710728098 /nfs/dbraw/zinc/72/80/98/710728098.db2.gz ZACZPODTRXCPHQ-UHFFFAOYSA-N 0 0 257.261 1.987 20 10 CDCDRN COC(=O)c1occc1COC(=O)c1cccc(O)c1O ZINC000776278732 710739276 /nfs/dbraw/zinc/73/92/76/710739276.db2.gz GBCOTTRGBLGZES-UHFFFAOYSA-N 0 0 292.243 1.834 20 10 CDCDRN COC[C@@]1(C)CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000833554107 710792035 /nfs/dbraw/zinc/79/20/35/710792035.db2.gz ZBIFKLWUILUMAS-LBPRGKRZSA-N 0 0 255.339 1.952 20 10 CDCDRN Cc1cc(CN2C[C@@H](CO)OC[C@@H]2C)ccc1N(C)C ZINC000815063274 710844122 /nfs/dbraw/zinc/84/41/22/710844122.db2.gz YYHYBRHBEDZNBH-ZFWWWQNUSA-N 0 0 278.396 1.643 20 10 CDCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCOCCF)c1 ZINC000853238978 710857546 /nfs/dbraw/zinc/85/75/46/710857546.db2.gz WTNUKVLKMXNIGQ-JTQLQIEISA-N 0 0 285.315 1.816 20 10 CDCDRN COc1ccc(CNC(=O)NCCSC)c(O)c1 ZINC000792789568 711353727 /nfs/dbraw/zinc/35/37/27/711353727.db2.gz LAQNOWAIFVMIMP-UHFFFAOYSA-N 0 0 270.354 1.563 20 10 CDCDRN CN(C)c1ccc(CNC(=O)C(=O)NC2CCC2)cc1 ZINC000785440382 711375782 /nfs/dbraw/zinc/37/57/82/711375782.db2.gz ZGKAPKGJYFBMSV-UHFFFAOYSA-N 0 0 275.352 1.038 20 10 CDCDRN C[C@@H](NC(=O)N[C@@H]1COC[C@@H]1C)c1ccccc1O ZINC000926031873 711390591 /nfs/dbraw/zinc/39/05/91/711390591.db2.gz MOFNRYLBOUSJQF-HOSYDEDBSA-N 0 0 264.325 1.787 20 10 CDCDRN CCOC(=O)CN(CC)Cc1cc(F)ccc1O ZINC000179972201 711447434 /nfs/dbraw/zinc/44/74/34/711447434.db2.gz MKQHZUCDSMGHGQ-UHFFFAOYSA-N 0 0 255.289 1.916 20 10 CDCDRN CCC(CC)[C@@H](O)CNC(=O)NCCc1ccc(N)cc1 ZINC000841955844 711452725 /nfs/dbraw/zinc/45/27/25/711452725.db2.gz PMQSFPJOMDRUGU-HNNXBMFYSA-N 0 0 293.411 1.908 20 10 CDCDRN C[C@H](NC(=O)NCCCCO)c1ccc(N(C)C)cc1 ZINC000787316907 711459076 /nfs/dbraw/zinc/45/90/76/711459076.db2.gz FSCFPXPZBCRHQV-LBPRGKRZSA-N 0 0 279.384 1.885 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)Cc1cncn1C ZINC000776335709 711466042 /nfs/dbraw/zinc/46/60/42/711466042.db2.gz LKIAEELXNXBZOM-UHFFFAOYSA-N 0 0 259.309 1.327 20 10 CDCDRN O=C(NCCOC[C@H]1CCCO1)c1c(F)ccc(O)c1O ZINC000825863618 711515008 /nfs/dbraw/zinc/51/50/08/711515008.db2.gz UATWEFKAMWIWIB-SECBINFHSA-N 0 0 299.298 1.162 20 10 CDCDRN Cc1ccnn1CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000860697093 711530425 /nfs/dbraw/zinc/53/04/25/711530425.db2.gz NMNIRTLSTPHKJF-SNVBAGLBSA-N 0 0 289.335 1.350 20 10 CDCDRN CC[C@H](NC(=O)c1ccc(C)c(O)c1O)[C@H](O)C(C)C ZINC000840525295 711559530 /nfs/dbraw/zinc/55/95/30/711559530.db2.gz MTWVDUMODHIPQG-NWDGAFQWSA-N 0 0 281.352 1.932 20 10 CDCDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCOC1 ZINC000845069128 711559815 /nfs/dbraw/zinc/55/98/15/711559815.db2.gz CSIORQSUTOAKHN-SNVBAGLBSA-N 0 0 270.716 1.634 20 10 CDCDRN CN(C[C@@H]1CCCOC1)C(=O)c1cccc(O)c1O ZINC000126418565 711562731 /nfs/dbraw/zinc/56/27/31/711562731.db2.gz LLPQKPBDFHHIFU-JTQLQIEISA-N 0 0 265.309 1.596 20 10 CDCDRN C[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@]1(C)CO ZINC000703710698 711568820 /nfs/dbraw/zinc/56/88/20/711568820.db2.gz SMQSNIXAAJIJEU-LKFCYVNXSA-N 0 0 265.309 1.188 20 10 CDCDRN COC(=O)[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2O)[C@H]1C ZINC000787506937 711578067 /nfs/dbraw/zinc/57/80/67/711578067.db2.gz SHUFVEOYOGTCSG-VHSXEESVSA-N 0 0 293.319 1.430 20 10 CDCDRN COC/C=C/C(=O)NCCCSc1nccs1 ZINC000865783765 711578892 /nfs/dbraw/zinc/57/88/92/711578892.db2.gz BAZCEURLIZLOPE-DUXPYHPUSA-N 0 0 272.395 1.944 20 10 CDCDRN CC(=O)NC[C@@H]1CCCCN1C(=O)Cc1ccc(N)cc1 ZINC000877119208 711588498 /nfs/dbraw/zinc/58/84/98/711588498.db2.gz VAXZWDKPCUOUJX-HNNXBMFYSA-N 0 0 289.379 1.329 20 10 CDCDRN O=C(N[C@@H]1CCCN(CCCO)C1)C1=CC(=O)CS1 ZINC000833565639 711590914 /nfs/dbraw/zinc/59/09/14/711590914.db2.gz KDJZSTRDHPPCNZ-SNVBAGLBSA-N 0 0 284.381 1.030 20 10 CDCDRN CC[C@@H](C)[C@H](OC)C(=O)NCCc1ccc(O)c(O)c1 ZINC000793681302 711591753 /nfs/dbraw/zinc/59/17/53/711591753.db2.gz NQGIDEDMYBYDRB-YGRLFVJLSA-N 0 0 281.352 1.818 20 10 CDCDRN C[C@H]1c2nncn2CCN1C(=O)C1=CC(=O)CS1 ZINC000792509086 711594970 /nfs/dbraw/zinc/59/49/70/711594970.db2.gz IRFGEVXDXDESMH-ZETCQYMHSA-N 0 0 264.310 1.262 20 10 CDCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCCCn1ccnc1 ZINC000784286438 711616702 /nfs/dbraw/zinc/61/67/02/711616702.db2.gz LJEJKFYPKJGHMX-HWKANZROSA-N 0 0 288.303 1.941 20 10 CDCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CCC[C@H]2O)cc1F ZINC000172571766 711634273 /nfs/dbraw/zinc/63/42/73/711634273.db2.gz FTGYBVCAFBHRLV-TZMCWYRMSA-N 0 0 295.358 1.604 20 10 CDCDRN Cc1ccc(C(N)=O)cc1NC(=O)c1cccc(O)c1O ZINC000188314501 711635684 /nfs/dbraw/zinc/63/56/84/711635684.db2.gz KMJDLHVPSAQMJP-UHFFFAOYSA-N 0 0 286.287 1.757 20 10 CDCDRN Cc1noc(CCc2nc(Cc3ccc(N)cc3)no2)n1 ZINC000843160366 711655949 /nfs/dbraw/zinc/65/59/49/711655949.db2.gz XLSWYXZRAFUXDR-UHFFFAOYSA-N 0 0 285.307 1.719 20 10 CDCDRN CN(C(=O)C(=O)Nc1ccc(N)cc1)C(C1CC1)C1CC1 ZINC000841026299 711659492 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1.996 20 10 CDCDRN O=C([O-])C1([NH2+]Cc2ccc3c(c2)CCCO3)CCOCC1 ZINC000900035278 622660812 /nfs/dbraw/zinc/66/08/12/622660812.db2.gz GPRZLFXXUCFQTB-UHFFFAOYSA-N 0 0 291.347 1.735 20 10 CDCDRN COC[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000901477125 624266343 /nfs/dbraw/zinc/26/63/43/624266343.db2.gz HBSBXHQBZFPIOW-NNTXTVRGSA-N 0 0 278.352 1.455 20 10 CDCDRN CCOC(=O)/C(=C/c1cncn1CC)c1nccn1C ZINC000901464923 624280825 /nfs/dbraw/zinc/28/08/25/624280825.db2.gz PZKMJETZPDAYER-XYOKQWHBSA-N 0 0 274.324 1.740 20 10 CDCDRN CN(C)c1ccc(C[N@@H+]2CC[C@@](F)(C(=O)[O-])C2)cc1 ZINC000901518313 624331428 /nfs/dbraw/zinc/33/14/28/624331428.db2.gz XEVQXPAVGRMPBY-AWEZNQCLSA-N 0 0 266.316 1.751 20 10 CDCDRN COc1cc(O)ccc1NS(=O)(=O)N1CC[C@@H](C)C1 ZINC000901704718 624402926 /nfs/dbraw/zinc/40/29/26/624402926.db2.gz VDARYCHTMYVRJL-SECBINFHSA-N 0 0 286.353 1.399 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12 ZINC000906991304 627486565 /nfs/dbraw/zinc/48/65/65/627486565.db2.gz MEINENQIWOHGRE-LEWSCRJBSA-N 0 0 259.305 1.576 20 10 CDCDRN O=C(CSC(F)(F)F)NCc1ccc(O)cc1O ZINC000910952164 629115366 /nfs/dbraw/zinc/11/53/66/629115366.db2.gz QZFQIECSWNYPKG-UHFFFAOYSA-N 0 0 281.255 1.967 20 10 CDCDRN C[C@@H]1C[C@@H](C)[C@H](C(=O)NCc2ccc(O)cc2O)O1 ZINC000910946534 629126221 /nfs/dbraw/zinc/12/62/21/629126221.db2.gz OYJLHKDCKOSVRK-JRKPZEMJSA-N 0 0 265.309 1.528 20 10 CDCDRN COC(C)(C)CC(=O)NCc1ccc(O)cc1O ZINC000910945487 629126480 /nfs/dbraw/zinc/12/64/80/629126480.db2.gz AQQPNZGLLRCXHD-UHFFFAOYSA-N 0 0 253.298 1.529 20 10 CDCDRN Cc1ncc2n1C[C@@H](C(=O)NCCc1ccc(N)cc1)CC2 ZINC000911783805 629501016 /nfs/dbraw/zinc/50/10/16/629501016.db2.gz ZBXSQEWSWSFUMG-AWEZNQCLSA-N 0 0 298.390 1.695 20 10 CDCDRN COCC1CN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000911965438 629690805 /nfs/dbraw/zinc/69/08/05/629690805.db2.gz KYICVOQIOQMFPF-HYXAFXHYSA-N 0 0 263.293 1.216 20 10 CDCDRN C[C@@H](NC(=O)O[C@@H]1CCOC1)c1ccccc1O ZINC000919117378 632503527 /nfs/dbraw/zinc/50/35/27/632503527.db2.gz CKIHUHCCVDAHPR-NXEZZACHSA-N 0 0 251.282 1.968 20 10 CDCDRN O=C(CNc1cccc[n+]1[O-])c1ccc(O)c(O)c1 ZINC001170314894 1162334478 /nfs/dbraw/zinc/33/44/78/1162334478.db2.gz KEVQOLQJHHACFV-UHFFFAOYSA-N 0 0 260.249 1.026 20 10 CDCDRN Nc1cc(Cl)nnc1NCC(=O)c1ccc(O)c(O)c1 ZINC001170316132 1162335959 /nfs/dbraw/zinc/33/59/59/1162335959.db2.gz ACMFXNSWDJRALO-UHFFFAOYSA-N 0 0 294.698 1.418 20 10 CDCDRN C[C@@H](N[C@H]1CCC[NH2+]C1)c1cc(C(=O)[O-])ccc1O ZINC001604356784 1163162590 /nfs/dbraw/zinc/16/25/90/1163162590.db2.gz DBKPRDPVMJEFAI-KOLCDFICSA-N 0 0 264.325 1.493 20 10 CDCDRN Cc1cc(O)c(CN2CCO[C@@H](C(=O)[O-])C2)cc1Cl ZINC001607698554 1164272728 /nfs/dbraw/zinc/27/27/28/1164272728.db2.gz AONVGUBNJINXLE-GFCCVEGCSA-N 0 0 285.727 1.639 20 10 CDCDRN CCOc1ccc(C[N@H+](CC)CC(=O)[O-])c(O)c1 ZINC001610043730 1165195752 /nfs/dbraw/zinc/19/57/52/1165195752.db2.gz KHLRTUDKOMXQFJ-UHFFFAOYSA-N 0 0 253.298 1.697 20 10 CDCDRN CN(C(=O)CNC(=O)C1CCCCC1)c1ccc(N)cc1 ZINC000877078797 1165971090 /nfs/dbraw/zinc/97/10/90/1165971090.db2.gz FOEBIEOHDYDTCT-UHFFFAOYSA-N 0 0 289.379 1.928 20 10 CDCDRN NOCC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001580359039 1172412648 /nfs/dbraw/zinc/41/26/48/1172412648.db2.gz DJXRPGSEOJPRLR-UHFFFAOYSA-N 0 0 283.291 1.225 20 10 CDCDRN Cc1ccc(O)c(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c1 ZINC001581209713 1172595146 /nfs/dbraw/zinc/59/51/46/1172595146.db2.gz RHSGATCIVMRTMH-UHFFFAOYSA-N 0 0 298.306 1.139 20 10 CDCDRN CC[C@@H](CCO)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001590439966 1173411821 /nfs/dbraw/zinc/41/18/21/1173411821.db2.gz VCCGFEISZXWQIZ-ZJUUUORDSA-N 0 0 291.355 1.384 20 10 CDCDRN CC[C@H]([NH2+]C1CC1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001604056001 1175737021 /nfs/dbraw/zinc/73/70/21/1175737021.db2.gz SKBUEUDJTJYOTD-NSHDSACASA-N 0 0 259.313 1.775 20 10 CDCDRN CCOC(=O)C[C@H](O)CNc1ccccc1OC ZINC000232427506 1178191278 /nfs/dbraw/zinc/19/12/78/1178191278.db2.gz GNYQQUUPHGSNJM-JTQLQIEISA-N 0 0 253.298 1.421 20 10 CDCDRN CCCN(CC(N)=O)Cc1c(O)cccc1OC ZINC000814177570 1164058928 /nfs/dbraw/zinc/05/89/28/1164058928.db2.gz HFGVMEWUEOHCEH-UHFFFAOYSA-N 0 0 252.314 1.098 20 10 CDCDRN CCn1nc(C)c(CNC(=O)NCc2ccccc2O)n1 ZINC000823744619 711840552 /nfs/dbraw/zinc/84/05/52/711840552.db2.gz VHYOGAIFSZVARS-UHFFFAOYSA-N 0 0 289.339 1.311 20 10 CDCDRN CCN1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1=O ZINC000824893524 711841903 /nfs/dbraw/zinc/84/19/03/711841903.db2.gz ULDPZDIOLNCBQA-VIFPVBQESA-N 0 0 286.734 1.895 20 10 CDCDRN Nc1ncc2c(n1)CN(C(=O)C1=CC(=O)CS1)CC2 ZINC000857973034 711862564 /nfs/dbraw/zinc/86/25/64/711862564.db2.gz XMRRRFAGUWUHGD-UHFFFAOYSA-N 0 0 276.321 1.024 20 10 CDCDRN C[C@@H](NC(=O)NCCc1cnccn1)c1ccccc1O ZINC000868476788 711870501 /nfs/dbraw/zinc/87/05/01/711870501.db2.gz OCZPULONWQJBJG-LLVKDONJSA-N 0 0 286.335 1.785 20 10 CDCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cc(=O)cc[nH]1 ZINC000930205909 711907806 /nfs/dbraw/zinc/90/78/06/711907806.db2.gz PZYJFTMNIVYYQY-UHFFFAOYSA-N 0 0 297.358 1.905 20 10 CDCDRN CC(F)(F)CCS(=O)(=O)NCc1ccc(O)cc1O ZINC000867417105 711925104 /nfs/dbraw/zinc/92/51/04/711925104.db2.gz MUAXWGDQFUSQMJ-UHFFFAOYSA-N 0 0 295.307 1.563 20 10 CDCDRN CN1CCCc2cc(CNC(=O)c3ncc[nH]3)ccc21 ZINC000824676041 711950699 /nfs/dbraw/zinc/95/06/99/711950699.db2.gz CLDJJJKSJNLGBR-UHFFFAOYSA-N 0 0 270.336 1.722 20 10 CDCDRN NC(=O)[C@H]1CCCCN1Cc1cc(Cl)ccc1O ZINC000162032815 711968066 /nfs/dbraw/zinc/96/80/66/711968066.db2.gz HYMQWKIPRMBLKR-LLVKDONJSA-N 0 0 268.744 1.885 20 10 CDCDRN CONC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840350370 711984465 /nfs/dbraw/zinc/98/44/65/711984465.db2.gz ICGIEIWXMPIHOJ-LLVKDONJSA-N 0 0 265.357 1.853 20 10 CDCDRN COCC1(C(=O)NCc2ccc(O)c(O)c2)CC1 ZINC000778917057 711997955 /nfs/dbraw/zinc/99/79/55/711997955.db2.gz UDYBBCJLICMAMM-UHFFFAOYSA-N 0 0 251.282 1.141 20 10 CDCDRN C[C@@H]([NH2+]CC1(CC(N)=O)CC1)c1c([O-])cccc1F ZINC000886628678 712000855 /nfs/dbraw/zinc/00/08/55/712000855.db2.gz YUMGUTBARBNSQQ-SECBINFHSA-N 0 0 266.316 1.838 20 10 CDCDRN Cc1sc(=O)n(CC(=O)N(C)c2ccc(N)cc2)c1C ZINC000071351352 712011326 /nfs/dbraw/zinc/01/13/26/712011326.db2.gz APTUEIMSDSUYMN-UHFFFAOYSA-N 0 0 291.376 1.772 20 10 CDCDRN COc1cccnc1NC(=O)c1cccc(O)c1O ZINC000790614917 712012035 /nfs/dbraw/zinc/01/20/35/712012035.db2.gz MJJALWMKVPKCSM-UHFFFAOYSA-N 0 0 260.249 1.754 20 10 CDCDRN [O-]c1c(Cl)cccc1C[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877765208 712029705 /nfs/dbraw/zinc/02/97/05/712029705.db2.gz VMXQJSOCVJEDAG-PHIMTYICSA-N 0 0 271.744 1.078 20 10 CDCDRN COc1ccc(N2CCN(C(=O)C(C)(F)F)CC2)cc1 ZINC000808453421 712045190 /nfs/dbraw/zinc/04/51/90/712045190.db2.gz FTAFCBUAZSOMOW-UHFFFAOYSA-N 0 0 284.306 1.999 20 10 CDCDRN C[C@@H](NC(=O)N[C@@H]1CCCCNC1=O)c1ccccc1O ZINC000864424745 712048842 /nfs/dbraw/zinc/04/88/42/712048842.db2.gz OLFMTSIBQAJEHH-ZYHUDNBSSA-N 0 0 291.351 1.421 20 10 CDCDRN C[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)C(=O)N(C)C ZINC000790974932 712069451 /nfs/dbraw/zinc/06/94/51/712069451.db2.gz WPOOPPDRAORFJG-SSDOTTSWSA-N 0 0 274.723 1.751 20 10 CDCDRN Cn1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)nn1 ZINC000808386762 712072724 /nfs/dbraw/zinc/07/27/24/712072724.db2.gz JKGLHRAXQBDXRG-UHFFFAOYSA-N 0 0 299.378 1.735 20 10 CDCDRN COCC1(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CC1 ZINC000843851250 712080405 /nfs/dbraw/zinc/08/04/05/712080405.db2.gz LZGNJCGHYUZQPW-LLVKDONJSA-N 0 0 293.363 1.962 20 10 CDCDRN CC(=O)N1CC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000857067561 712080828 /nfs/dbraw/zinc/08/08/28/712080828.db2.gz AKAQVSHEBSFUPI-SNVBAGLBSA-N 0 0 286.734 1.895 20 10 CDCDRN C[C@@H](NC(=O)c1cnnn1C)c1ccc(N(C)C)cc1 ZINC000798502958 712108757 /nfs/dbraw/zinc/10/87/57/712108757.db2.gz ZBTKWADKNYASAJ-SNVBAGLBSA-N 0 0 273.340 1.372 20 10 CDCDRN O=C(N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)c1c(F)ccc(O)c1O ZINC000881224792 712109790 /nfs/dbraw/zinc/10/97/90/712109790.db2.gz NNBJDKGYYIQQQV-QAZWSTFKSA-N 0 0 293.294 1.390 20 10 CDCDRN C[C@@H](NC(=O)NCCO)c1ccc(N(C)C)cc1 ZINC000775551980 712180937 /nfs/dbraw/zinc/18/09/37/712180937.db2.gz QAAACSTXGFOQPN-SNVBAGLBSA-N 0 0 251.330 1.105 20 10 CDCDRN O=C(NCC[C@@]1(O)CCCOC1)C1=CC(=O)CS1 ZINC000846664097 712224160 /nfs/dbraw/zinc/22/41/60/712224160.db2.gz CKDIOTKYINAILL-LBPRGKRZSA-N 0 0 271.338 1.115 20 10 CDCDRN CC(=O)C(=O)COC(=O)c1ccc(Br)s1 ZINC000808485053 712224460 /nfs/dbraw/zinc/22/44/60/712224460.db2.gz WXXMUPJJBCMEFS-UHFFFAOYSA-N 0 0 291.122 1.826 20 10 CDCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@H]1CCC(=O)N1 ZINC000935947378 712242024 /nfs/dbraw/zinc/24/20/24/712242024.db2.gz WJNZKHPUCJJECL-SNVBAGLBSA-N 0 0 297.351 1.163 20 10 CDCDRN COc1ccc(O)c([C@@H](C)NC(=O)Cn2ccnc2C)c1 ZINC000837483452 712264593 /nfs/dbraw/zinc/26/45/93/712264593.db2.gz ALQILNUUNYCYKL-SNVBAGLBSA-N 0 0 289.335 1.783 20 10 CDCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCc1ncc[nH]1 ZINC000779485422 712276913 /nfs/dbraw/zinc/27/69/13/712276913.db2.gz QIJDWZONCBQFAX-DUXPYHPUSA-N 0 0 259.265 1.151 20 10 CDCDRN CC[C@H]([NH3+])C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000831748967 712284920 /nfs/dbraw/zinc/28/49/20/712284920.db2.gz UBMGSBVINUZHNE-WFASDCNBSA-N 0 0 291.395 1.375 20 10 CDCDRN CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840825868 712290915 /nfs/dbraw/zinc/29/09/15/712290915.db2.gz BWYJUZKSNMBASB-YDEJPDAXSA-N 0 0 282.296 1.365 20 10 CDCDRN COc1ccc(N2CCN(C(=O)OCCF)CC2)cc1 ZINC000858876994 712312559 /nfs/dbraw/zinc/31/25/59/712312559.db2.gz YOTBCCWPKHTPEA-UHFFFAOYSA-N 0 0 282.315 1.923 20 10 CDCDRN COC(=O)N(C)CCNC(=O)NCc1cc(C)ccc1O ZINC000858620617 712322146 /nfs/dbraw/zinc/32/21/46/712322146.db2.gz CXFVWBBPVLSZEZ-UHFFFAOYSA-N 0 0 295.339 1.198 20 10 CDCDRN O=C(C[NH2+]Cc1cc(F)cc(F)c1[O-])NCC(F)F ZINC000708517477 712324461 /nfs/dbraw/zinc/32/44/61/712324461.db2.gz QFZVWMMETIYNPS-UHFFFAOYSA-N 0 0 280.221 1.141 20 10 CDCDRN O=C(NCCc1ccc(O)c(O)c1)c1ncc(F)cc1F ZINC000192177738 712339973 /nfs/dbraw/zinc/33/99/73/712339973.db2.gz RXADYTNICLKXEQ-UHFFFAOYSA-N 0 0 294.257 1.744 20 10 CDCDRN COc1ccc(O)c(CNC(=O)c2ccc(C)n2C)c1 ZINC000114542751 712347068 /nfs/dbraw/zinc/34/70/68/712347068.db2.gz 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/nfs/dbraw/zinc/60/06/43/681600643.db2.gz YSIVUJOERVGSKV-ZYHUDNBSSA-N 0 0 264.325 1.677 20 10 CDCDRN CC(C)c1cc(C(=O)NCc2ccc(O)c(O)c2)n(C)n1 ZINC000182541200 681689948 /nfs/dbraw/zinc/68/99/48/681689948.db2.gz MDZVOTMMDWHGTP-UHFFFAOYSA-N 0 0 289.335 1.885 20 10 CDCDRN NC(=O)c1csc(CN[C@H]2CCc3cccc(O)c32)n1 ZINC000850540911 681703060 /nfs/dbraw/zinc/70/30/60/681703060.db2.gz POZCWQDXHHHSMT-VIFPVBQESA-N 0 0 289.360 1.725 20 10 CDCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cnnn1C ZINC000809907101 681723966 /nfs/dbraw/zinc/72/39/66/681723966.db2.gz YTOAKCCWGGDCDH-UHFFFAOYSA-N 0 0 288.355 1.511 20 10 CDCDRN CC(C)n1cnnc1CNC(=O)Cc1ccc(N)cc1 ZINC000844182727 681766196 /nfs/dbraw/zinc/76/61/96/681766196.db2.gz KCMPXAUMYSETJP-UHFFFAOYSA-N 0 0 273.340 1.300 20 10 CDCDRN COc1ccc(N(C)C[C@@H](O)Cn2cccn2)cc1 ZINC000844353133 681804580 /nfs/dbraw/zinc/80/45/80/681804580.db2.gz HWILLKBYRHSALB-CYBMUJFWSA-N 0 0 261.325 1.389 20 10 CDCDRN C[C@@H](CO)C1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000846660919 681807265 /nfs/dbraw/zinc/80/72/65/681807265.db2.gz JYFLCJZIUSWDJR-VIFPVBQESA-N 0 0 297.326 1.718 20 10 CDCDRN Nc1ccc(NC(=O)[C@@H]2COCCN2C2CCCC2)cc1 ZINC000832250424 681822893 /nfs/dbraw/zinc/82/28/93/681822893.db2.gz QGOPBZMVIDWRNU-HNNXBMFYSA-N 0 0 289.379 1.851 20 10 CDCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cnsn1 ZINC000839123953 681823398 /nfs/dbraw/zinc/82/33/98/681823398.db2.gz XZGQPBWKLJFDLW-ZETCQYMHSA-N 0 0 294.336 1.702 20 10 CDCDRN C[C@H]([NH2+]CC(=O)NCC1CC1)c1c([O-])cccc1F ZINC000886586790 681856737 /nfs/dbraw/zinc/85/67/37/681856737.db2.gz XHFPELUFFFJNME-VIFPVBQESA-N 0 0 266.316 1.708 20 10 CDCDRN CCN(CC)c1ccc(CNC(=O)[C@H](O)C2CC2)cc1 ZINC000822607592 681862647 /nfs/dbraw/zinc/86/26/47/681862647.db2.gz LCNFFNKDMYIUBH-OAHLLOKOSA-N 0 0 276.380 1.920 20 10 CDCDRN COc1ccc(N(C)CC(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000844352857 681868959 /nfs/dbraw/zinc/86/89/59/681868959.db2.gz AJCJALLGUAHZSK-BETUJISGSA-N 0 0 292.379 1.767 20 10 CDCDRN C[C@@H](NCc1nnnn1C1CC1)c1ccccc1O ZINC000775137034 681875041 /nfs/dbraw/zinc/87/50/41/681875041.db2.gz QLYKBNJCUODGAL-SECBINFHSA-N 0 0 259.313 1.564 20 10 CDCDRN O=C(c1cccc(O)c1O)N1CCCCC[C@@H]1CO ZINC000126571048 681878128 /nfs/dbraw/zinc/87/81/28/681878128.db2.gz UXCRKSYEBMTHSO-SNVBAGLBSA-N 0 0 265.309 1.475 20 10 CDCDRN CC(C)C[C@H](C(N)=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000839468713 681881993 /nfs/dbraw/zinc/88/19/93/681881993.db2.gz GEDJFPJGUMYHEB-CQSZACIVSA-N 0 0 291.395 1.516 20 10 CDCDRN CC(=O)C(=O)CSc1cccc(S(C)(=O)=O)c1 ZINC000882369394 681887980 /nfs/dbraw/zinc/88/79/80/681887980.db2.gz ODAWQGMHAZUTFR-UHFFFAOYSA-N 0 0 272.347 1.340 20 10 CDCDRN CNC(=O)[C@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000813720316 681924283 /nfs/dbraw/zinc/92/42/83/681924283.db2.gz UCUFXDICLTUBPQ-MNOVXSKESA-N 0 0 292.383 1.247 20 10 CDCDRN CC(C)[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)C(=O)[O-] ZINC000848640972 681989547 /nfs/dbraw/zinc/98/95/47/681989547.db2.gz XFAHVUALFYWXAD-JTQLQIEISA-N 0 0 281.308 1.567 20 10 CDCDRN CC[C@]1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCOC1 ZINC000791428219 681990351 /nfs/dbraw/zinc/99/03/51/681990351.db2.gz IKWKPOMKVWOOTA-DRDHIDPGSA-N 0 0 277.320 1.796 20 10 CDCDRN CNC(=O)[C@H]1CN(Cc2cc(Cl)c(C)cc2O)CCO1 ZINC000825479434 681996880 /nfs/dbraw/zinc/99/68/80/681996880.db2.gz NYTPTNIMLKYILT-CYBMUJFWSA-N 0 0 298.770 1.301 20 10 CDCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CC(C)=NO2)c1 ZINC000830539860 682015989 /nfs/dbraw/zinc/01/59/89/682015989.db2.gz AOTWBGRRZGQSDR-NOZJJQNGSA-N 0 0 278.308 1.743 20 10 CDCDRN Cc1ccc(O)c(CNC(=O)C[C@](C)(O)C2CC2)c1 ZINC000862758065 682025553 /nfs/dbraw/zinc/02/55/53/682025553.db2.gz NNCBFACHHCPSIY-HNNXBMFYSA-N 0 0 263.337 1.868 20 10 CDCDRN CC[C@@H](CSC)N(C)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841111415 682036278 /nfs/dbraw/zinc/03/62/78/682036278.db2.gz OGBVLBWAZOBYHK-LBPRGKRZSA-N 0 0 295.408 1.807 20 10 CDCDRN CO[C@@H]1CCC[C@@H](C(=O)NCc2ccc(O)c(O)c2)C1 ZINC000815836335 682044499 /nfs/dbraw/zinc/04/44/99/682044499.db2.gz ZIOWBTACILEAAK-VXGBXAGGSA-N 0 0 279.336 1.919 20 10 CDCDRN O=C(CCc1cn[nH]n1)NCc1ccc(N2CCCC2)cc1 ZINC000864862780 682083608 /nfs/dbraw/zinc/08/36/08/682083608.db2.gz NGXVYFLRWXAMLB-UHFFFAOYSA-N 0 0 299.378 1.654 20 10 CDCDRN CC[C@H](CO)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000779834344 682086360 /nfs/dbraw/zinc/08/63/60/682086360.db2.gz DPKYQGDXIISWDR-GXSJLCMTSA-N 0 0 267.325 1.164 20 10 CDCDRN COC(=O)[C@](C)(NC(=O)c1cccc(O)c1O)C1CC1 ZINC000776658226 682086557 /nfs/dbraw/zinc/08/65/57/682086557.db2.gz PWXPSIMXLTUBLM-CQSZACIVSA-N 0 0 279.292 1.169 20 10 CDCDRN CCn1nncc1C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000815834913 682164553 /nfs/dbraw/zinc/16/45/53/682164553.db2.gz FEBIGOSHPGSQEJ-VIFPVBQESA-N 0 0 290.323 1.503 20 10 CDCDRN C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1c([O-])cccc1F ZINC000886536726 682175831 /nfs/dbraw/zinc/17/58/31/682175831.db2.gz NTFGLXDKZKTBGF-GXSJLCMTSA-N 0 0 266.316 1.803 20 10 CDCDRN COc1ccc(O)c(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000312712739 682228703 /nfs/dbraw/zinc/22/87/03/682228703.db2.gz TUULICXOGFSAKI-GXFFZTMASA-N 0 0 279.336 1.943 20 10 CDCDRN COc1ccc(N(C)Cc2nnc3c(=O)n(C)ccn23)cc1 ZINC000878801580 682248847 /nfs/dbraw/zinc/24/88/47/682248847.db2.gz MBTHMZCEXZKYFY-UHFFFAOYSA-N 0 0 299.334 1.073 20 10 CDCDRN CN(CC(C)(C)S(C)(=O)=O)C(=O)Nc1ccc(N)cc1 ZINC000713930186 682282415 /nfs/dbraw/zinc/28/24/15/682282415.db2.gz BYRUNUZPJMLHMG-UHFFFAOYSA-N 0 0 299.396 1.556 20 10 CDCDRN CCOc1ccc(C(=O)OCC(=O)C(C)=O)cc1OCC ZINC000808489665 682310449 /nfs/dbraw/zinc/31/04/49/682310449.db2.gz WZZWZSUXAMXWIH-UHFFFAOYSA-N 0 0 294.303 1.799 20 10 CDCDRN C[C@@H](NC(=O)c1ccn(C)n1)c1ccc(N(C)C)cc1 ZINC000775412371 682315140 /nfs/dbraw/zinc/31/51/40/682315140.db2.gz XHXOWUOAEGSRCQ-LLVKDONJSA-N 0 0 272.352 1.977 20 10 CDCDRN COc1cccc(O)c1CN(C)Cc1noc(C)n1 ZINC000827891257 682339541 /nfs/dbraw/zinc/33/95/41/682339541.db2.gz FMNCTDWDSPONSY-UHFFFAOYSA-N 0 0 263.297 1.724 20 10 CDCDRN CCN(C(=O)C1=CC(=O)CS1)C(C)(C)C(=O)OC ZINC000886429666 682350070 /nfs/dbraw/zinc/35/00/70/682350070.db2.gz OFEPNXVZLXQMKY-UHFFFAOYSA-N 0 0 271.338 1.867 20 10 CDCDRN CCC[NH2+]CCN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817963302 682356807 /nfs/dbraw/zinc/35/68/07/682356807.db2.gz TWQYNHVPMLSLMF-SNVBAGLBSA-N 0 0 267.329 1.951 20 10 CDCDRN CCN(CC)c1ccc(CNC(=O)c2[nH]nnc2C)cc1 ZINC000193849196 682363707 /nfs/dbraw/zinc/36/37/07/682363707.db2.gz LKZFNHNOGUEUSP-UHFFFAOYSA-N 0 0 287.367 1.889 20 10 CDCDRN CCc1cccc(CN2CC(=O)N(C)C[C@H]2C)c1O ZINC000848905086 682382247 /nfs/dbraw/zinc/38/22/47/682382247.db2.gz GQBLMPXSBAQTMS-LLVKDONJSA-N 0 0 262.353 1.617 20 10 CDCDRN O=S(=O)(Nc1ccc(O)cc1F)N1CCCC1 ZINC000085203914 682413581 /nfs/dbraw/zinc/41/35/81/682413581.db2.gz GHYJQTMSJYONJA-UHFFFAOYSA-N 0 0 260.290 1.284 20 10 CDCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCNC(=O)C1 ZINC000846476294 682419799 /nfs/dbraw/zinc/41/97/99/682419799.db2.gz NAHBNMUEYUUKLL-MRVPVSSYSA-N 0 0 282.727 1.188 20 10 CDCDRN O=C(NCCCSc1nccs1)[C@@H](O)C1CC1 ZINC000827474596 682546333 /nfs/dbraw/zinc/54/63/33/682546333.db2.gz FYYBWDCEMLHMME-VIFPVBQESA-N 0 0 272.395 1.512 20 10 CDCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCNC1=O ZINC000821841824 682565783 /nfs/dbraw/zinc/56/57/83/682565783.db2.gz GEAAPWQUBAUTMM-CQSZACIVSA-N 0 0 287.363 1.039 20 10 CDCDRN COC[C@@H](C)[C@H](C)C(=O)NCc1cccc(OC)c1O ZINC000812496050 682570205 /nfs/dbraw/zinc/57/02/05/682570205.db2.gz XBHFPBNABZZYOJ-MNOVXSKESA-N 0 0 281.352 1.936 20 10 CDCDRN Cc1nc(NC(=O)/C=C\c2ccc(O)c(O)c2)nn1C ZINC000817019578 682590592 /nfs/dbraw/zinc/59/05/92/682590592.db2.gz ONEFFUXMYSIAHO-XQRVVYSFSA-N 0 0 274.280 1.187 20 10 CDCDRN CCC[C@H](O)[C@@H](CO)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883145765 682619317 /nfs/dbraw/zinc/61/93/17/682619317.db2.gz MWEWMOQQZQYYOZ-NEPJUHHUSA-N 0 0 275.295 1.282 20 10 CDCDRN CCn1ccnc1[C@H](C)NC(=O)c1cccc(O)c1O ZINC000836945845 682626977 /nfs/dbraw/zinc/62/69/77/682626977.db2.gz DJPKJDUZNNBCCJ-VIFPVBQESA-N 0 0 275.308 1.805 20 10 CDCDRN CNC(=O)CCCCC(=O)NCc1ccc(N(C)C)cc1 ZINC000779583923 682630924 /nfs/dbraw/zinc/63/09/24/682630924.db2.gz OYSBBKXONVCQDO-UHFFFAOYSA-N 0 0 291.395 1.675 20 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1.393 20 10 CDCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H](O)C2CC2)c1 ZINC000830540831 682822828 /nfs/dbraw/zinc/82/28/28/682822828.db2.gz OASHXIMWEOGSMG-ISVAXAHUSA-N 0 0 265.309 1.349 20 10 CDCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CO[C@H](C)C2)c1 ZINC000858575363 682830282 /nfs/dbraw/zinc/83/02/82/682830282.db2.gz YSIVUJOERVGSKV-PWSUYJOCSA-N 0 0 264.325 1.677 20 10 CDCDRN O=C(C1=CC(=O)CS1)N1CCOC[C@H]1C[C@@H]1CCOC1 ZINC000887816186 682845026 /nfs/dbraw/zinc/84/50/26/682845026.db2.gz JJHALHFZBZDSCH-WDEREUQCSA-N 0 0 297.376 1.721 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)c1ccc(C(N)=O)s1 ZINC000195495735 682849049 /nfs/dbraw/zinc/84/90/49/682849049.db2.gz ZXGWHYLYHFMIJQ-UHFFFAOYSA-N 0 0 290.344 1.825 20 10 CDCDRN CC(C)C[C@@H](O)CNC(=O)c1c(F)ccc(O)c1O ZINC000827090420 682863385 /nfs/dbraw/zinc/86/33/85/682863385.db2.gz PMLQPEAEQWPYMV-MRVPVSSYSA-N 0 0 271.288 1.374 20 10 CDCDRN Nc1ccc(NC(=O)C(=O)N2CCC[C@H]3CCC[C@H]32)cc1 ZINC000841052596 683092429 /nfs/dbraw/zinc/09/24/29/683092429.db2.gz VBPMVJFONULKOS-BXUZGUMPSA-N 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/nfs/dbraw/zinc/33/08/88/359330888.db2.gz KPUMKCVXKHLYAH-QMMMGPOBSA-N 0 0 250.277 1.511 20 10 CDCDRN COc1c(O)c(CNCC(F)F)ccc1[N+](=O)[O-] ZINC000298045052 200322088 /nfs/dbraw/zinc/32/20/88/200322088.db2.gz HUOALDOKSISOSI-UHFFFAOYSA-N 0 0 262.212 1.664 20 10 CDCDRN O=C([O-])CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000238099760 361528385 /nfs/dbraw/zinc/52/83/85/361528385.db2.gz XLECMWNQRCJCOC-ZDUSSCGKSA-N 0 0 279.336 1.848 20 10 CDCDRN CCOc1cccc([C@H]2NC(=O)[C@@H]3CSCCN32)c1O ZINC000270768470 364749055 /nfs/dbraw/zinc/74/90/55/364749055.db2.gz HCUCNDCXFZUKGP-GWCFXTLKSA-N 0 0 294.376 1.337 20 10 CDCDRN O=C(NCc1ccccc1O)N[C@@H]1CCCOCC1 ZINC000271906598 365006007 /nfs/dbraw/zinc/00/60/07/365006007.db2.gz NZMIRFGDDWFKHU-GFCCVEGCSA-N 0 0 264.325 1.761 20 10 CDCDRN CC(=O)N1CCN(Cc2cccc(F)c2O)[C@@H](C)C1 ZINC000272327187 365191271 /nfs/dbraw/zinc/19/12/71/365191271.db2.gz VLQMXLBLHMODTI-JTQLQIEISA-N 0 0 266.316 1.584 20 10 CDCDRN COc1ccc(N2CCN(Cc3ncc[nH]3)CC2)cc1 ZINC000171911671 365427470 /nfs/dbraw/zinc/42/74/70/365427470.db2.gz OHWGBLJYMAAWAQ-UHFFFAOYSA-N 0 0 272.352 1.741 20 10 CDCDRN CC[C@H](C)[C@@H](CNC(=O)c1cccc(O)c1O)OC ZINC000294239944 371357193 /nfs/dbraw/zinc/35/71/93/371357193.db2.gz PCXSXRBGGTUSQF-JOYOIKCWSA-N 0 0 267.325 1.889 20 10 CDCDRN CCC(=O)N1CCCC[C@H]1C(=O)NCc1ccc(N)cc1 ZINC000297166508 371964584 /nfs/dbraw/zinc/96/45/84/371964584.db2.gz KBQVWFUEDFWDGD-AWEZNQCLSA-N 0 0 289.379 1.676 20 10 CDCDRN CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000276698381 284323811 /nfs/dbraw/zinc/32/38/11/284323811.db2.gz VLCVFWWEPMFIGB-UWVGGRQHSA-N 0 0 295.339 1.818 20 10 CDCDRN CCOCCCC(=O)NCc1cccc(OC)c1O ZINC000105651456 390515988 /nfs/dbraw/zinc/51/59/88/390515988.db2.gz SSKHNOCAKWHEJD-UHFFFAOYSA-N 0 0 267.325 1.834 20 10 CDCDRN CN(Cc1cc[nH]n1)Cc1ccc(N2CCOCC2)cc1 ZINC000121326650 390883234 /nfs/dbraw/zinc/88/32/34/390883234.db2.gz FXMFTAYQKQQOKR-UHFFFAOYSA-N 0 0 286.379 1.878 20 10 CDCDRN Cc1ccc(O)c(CN(C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000132400966 390931983 /nfs/dbraw/zinc/93/19/83/390931983.db2.gz CKJAHXIGFLQPTE-GFCCVEGCSA-N 0 0 269.366 1.320 20 10 CDCDRN Cc1ccc(C(=O)N[C@@H](C)CN2CCCC2=O)c(O)c1O ZINC000182148984 391231974 /nfs/dbraw/zinc/23/19/74/391231974.db2.gz BGCJHICZZPRGME-JTQLQIEISA-N 0 0 292.335 1.147 20 10 CDCDRN NC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000183245331 391258268 /nfs/dbraw/zinc/25/82/68/391258268.db2.gz RXJYQMNLQGMWDE-VIFPVBQESA-N 0 0 252.289 1.229 20 10 CDCDRN CCCCOCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183451282 391264824 /nfs/dbraw/zinc/26/48/24/391264824.db2.gz WTOGIIUWNWLIHL-LLVKDONJSA-N 0 0 281.352 1.962 20 10 CDCDRN CCOCC1(C(=O)NCc2cccc(OC)c2O)CC1 ZINC000281946924 391432265 /nfs/dbraw/zinc/43/22/65/391432265.db2.gz LSXZUIATCQJHQI-UHFFFAOYSA-N 0 0 279.336 1.834 20 10 CDCDRN COc1ccc(N2CCN(C(=O)CSC)CC2)cc1 ZINC000070718884 397898157 /nfs/dbraw/zinc/89/81/57/397898157.db2.gz FACBQLCTZKCLHE-UHFFFAOYSA-N 0 0 280.393 1.707 20 10 CDCDRN Nc1ccc(CC(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000020185663 171048835 /nfs/dbraw/zinc/04/88/35/171048835.db2.gz ROZQFWDRRWCDCB-UHFFFAOYSA-N 0 0 284.315 1.856 20 10 CDCDRN COC(=O)[C@H](NC(=O)Cc1ccc(N)cc1)C(C)C ZINC000035345888 172137619 /nfs/dbraw/zinc/13/76/19/172137619.db2.gz DJPZFQLURJZPNP-CYBMUJFWSA-N 0 0 264.325 1.125 20 10 CDCDRN Cc1ccc(C(=O)N2CCC[C@H]2CO)c(O)c1O ZINC000153963781 261086187 /nfs/dbraw/zinc/08/61/87/261086187.db2.gz NAHIKEHZBOTTQD-VIFPVBQESA-N 0 0 251.282 1.003 20 10 CDCDRN COc1cccc(CNC(=O)CCn2cccn2)c1O ZINC000155385276 261101098 /nfs/dbraw/zinc/10/10/98/261101098.db2.gz RAPUJCGHKMTNBS-UHFFFAOYSA-N 0 0 275.308 1.304 20 10 CDCDRN Cc1nc(CN2CCOc3cc(N(C)C)ccc32)no1 ZINC000163184320 261308240 /nfs/dbraw/zinc/30/82/40/261308240.db2.gz VZDYTGGWFBFALP-UHFFFAOYSA-N 0 0 274.324 1.843 20 10 CDCDRN CNC(=O)CC[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000177110272 261332036 /nfs/dbraw/zinc/33/20/36/261332036.db2.gz SJIHOAMFQMFSAA-UHFFFAOYSA-N 0 0 298.770 1.816 20 10 CDCDRN COC[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000185648901 262305351 /nfs/dbraw/zinc/30/53/51/262305351.db2.gz QGFOCCLLHYNFLB-JTQLQIEISA-N 0 0 265.309 1.596 20 10 CDCDRN C[C@H](O)C[C@H](C)CNC(=O)c1cccc(O)c1O ZINC000187156557 262387301 /nfs/dbraw/zinc/38/73/01/262387301.db2.gz BQZZUFFZUXAHOL-IUCAKERBSA-N 0 0 253.298 1.235 20 10 CDCDRN COC[C@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])OC ZINC000276916062 263038645 /nfs/dbraw/zinc/03/86/45/263038645.db2.gz LQYIRUMNELVJOQ-IUCAKERBSA-N 0 0 275.295 1.982 20 10 CDCDRN COc1ccc(N2CCN(C(=O)C(C)(C)O)CC2)cc1 ZINC000189961413 264337946 /nfs/dbraw/zinc/33/79/46/264337946.db2.gz WXZJQYASOCQPRN-UHFFFAOYSA-N 0 0 278.352 1.115 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@]12CCOC2 ZINC000368092771 267145703 /nfs/dbraw/zinc/14/57/03/267145703.db2.gz LVEOBGBGIHDNOP-WFASDCNBSA-N 0 0 261.321 1.777 20 10 CDCDRN Cc1nnc2n1CCN(Cc1cc(Cl)ccc1O)C2 ZINC000371381263 267397378 /nfs/dbraw/zinc/39/73/78/267397378.db2.gz VAEUWGDWZDBGFS-UHFFFAOYSA-N 0 0 278.743 1.961 20 10 CDCDRN CCC[C@@](C)(O)C(=O)NCCc1ccc(O)c(O)c1 ZINC000157997855 327622408 /nfs/dbraw/zinc/62/24/08/327622408.db2.gz RRABPJSOHSLLTQ-CQSZACIVSA-N 0 0 267.325 1.308 20 10 CDCDRN O=C1OC[C@H]2CN(Cc3cccc(Cl)c3[O-])CCN12 ZINC000378443588 329050380 /nfs/dbraw/zinc/05/03/80/329050380.db2.gz MZZZJDZIFLUCAR-SNVBAGLBSA-N 0 0 282.727 1.682 20 10 CDCDRN COc1cccc(C[NH2+]CC(C)(C)CCO)c1O ZINC000231403552 329377605 /nfs/dbraw/zinc/37/76/05/329377605.db2.gz TUERXGRUQHLSOX-UHFFFAOYSA-N 0 0 253.342 1.899 20 10 CDCDRN COCCC1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000529635715 333502346 /nfs/dbraw/zinc/50/23/46/333502346.db2.gz YMGWLKJWXJYEJG-UHFFFAOYSA-N 0 0 279.336 1.987 20 10 CDCDRN CCCS(=O)(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000174064859 335147455 /nfs/dbraw/zinc/14/74/55/335147455.db2.gz TYTAWTOZXLYSBS-UHFFFAOYSA-N 0 0 284.381 1.691 20 10 CDCDRN CCN(CC)C(=O)CN(C)C(=O)Cc1ccc(N)cc1 ZINC000037818046 520468036 /nfs/dbraw/zinc/46/80/36/520468036.db2.gz ASRIPWWJCKJJPH-UHFFFAOYSA-N 0 0 277.368 1.138 20 10 CDCDRN CC(C)(CNC(=O)/C=C/c1ccc(O)c(O)c1)OCCO ZINC000292136874 519235382 /nfs/dbraw/zinc/23/53/82/519235382.db2.gz SENNVXWICWUEBM-GQCTYLIASA-N 0 0 295.335 1.015 20 10 CDCDRN CC[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)C(=O)OC ZINC000276622678 521851996 /nfs/dbraw/zinc/85/19/96/521851996.db2.gz OIEACUZBIOMOSD-NSHDSACASA-N 0 0 296.342 1.707 20 10 CDCDRN CC[C@@H](C)NC(=O)CCNC(=O)NCc1ccccc1O ZINC000299510768 522146836 /nfs/dbraw/zinc/14/68/36/522146836.db2.gz NXSBFVWPOSXOPS-LLVKDONJSA-N 0 0 293.367 1.496 20 10 CDCDRN CN(C)c1ccc(CN(C)C(=O)c2nc[nH]n2)cc1 ZINC000095039776 522168602 /nfs/dbraw/zinc/16/86/02/522168602.db2.gz OBFSLUMIDPVXLS-UHFFFAOYSA-N 0 0 259.313 1.143 20 10 CDCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCOC2)cc1 ZINC000066895590 522169833 /nfs/dbraw/zinc/16/98/33/522169833.db2.gz YQGNENSYVFXMHW-CYBMUJFWSA-N 0 0 262.353 1.748 20 10 CDCDRN CN(C)c1ccc(CN2C(=O)N[C@@H](C3CC3)C2=O)cc1 ZINC000277265030 522177565 /nfs/dbraw/zinc/17/75/65/522177565.db2.gz HZQDHABVEVQARH-ZDUSSCGKSA-N 0 0 273.336 1.583 20 10 CDCDRN CN(C)c1ccc(CNc2nnc(CO)o2)cc1F ZINC000275343861 522215253 /nfs/dbraw/zinc/21/52/53/522215253.db2.gz YFBWBXAVWDSWCT-UHFFFAOYSA-N 0 0 266.276 1.379 20 10 CDCDRN COC(=O)c1nn(C)c(C)c1C=C1SC(=S)NC1=O ZINC000292796808 522400122 /nfs/dbraw/zinc/40/01/22/522400122.db2.gz ULQSETDHMCEKFB-DAXSKMNVSA-N 0 0 297.361 1.004 20 10 CDCDRN COC(=O)C1(C(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000274295299 522809005 /nfs/dbraw/zinc/80/90/05/522809005.db2.gz LXVUVSXANWMNCX-UHFFFAOYSA-N 0 0 290.363 1.664 20 10 CDCDRN COCCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278257273 523228860 /nfs/dbraw/zinc/22/88/60/523228860.db2.gz QBHBPJHHPWYOCW-UHFFFAOYSA-N 0 0 284.312 1.777 20 10 CDCDRN CC[C@H](C)CS(=O)(=O)NCc1ccccc1O ZINC000265840305 523891733 /nfs/dbraw/zinc/89/17/33/523891733.db2.gz WNMURBZXURRFPJ-JTQLQIEISA-N 0 0 257.355 1.858 20 10 CDCDRN CNC(=O)CN1CCCc2cc(OC(F)F)ccc21 ZINC000157838520 524072730 /nfs/dbraw/zinc/07/27/30/524072730.db2.gz WEOOVGDLURRHRX-UHFFFAOYSA-N 0 0 270.279 1.787 20 10 CDCDRN C[C@H]1CCN(Cc2ccccc2O)CC[S@@]1=O ZINC000277655737 524298631 /nfs/dbraw/zinc/29/86/31/524298631.db2.gz ORBWSPLDRORWPI-APPDUMDISA-N 0 0 253.367 1.735 20 10 CDCDRN C[C@@H]1CCN(Cc2cc(F)ccc2O)CC[S@]1=O ZINC000277418870 524508922 /nfs/dbraw/zinc/50/89/22/524508922.db2.gz ICHDTXOKDKNNGC-MGNBDDOMSA-N 0 0 271.357 1.874 20 10 CDCDRN C[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@@H]1C ZINC000276639189 524519302 /nfs/dbraw/zinc/51/93/02/524519302.db2.gz XKVOAHVDLONCQR-YUMQZZPRSA-N 0 0 253.273 1.965 20 10 CDCDRN C[C@@H](CNC(=O)c1c(F)ccc(O)c1O)C[C@H](C)O ZINC000276612216 524708263 /nfs/dbraw/zinc/70/82/63/524708263.db2.gz PPXWELIITDLLAY-SFYZADRCSA-N 0 0 271.288 1.374 20 10 CDCDRN C[C@@H]1CN(Cc2ccccc2O)C[C@H](C)S1(=O)=O ZINC000290762051 525015176 /nfs/dbraw/zinc/01/51/76/525015176.db2.gz BPNHSIVLDONTCE-PHIMTYICSA-N 0 0 269.366 1.400 20 10 CDCDRN COc1cccc(CNC(=O)NCCC[C@@H](C)CO)c1O ZINC000270516087 525985706 /nfs/dbraw/zinc/98/57/06/525985706.db2.gz MEBBLOKRHQAUQD-LLVKDONJSA-N 0 0 296.367 1.609 20 10 CDCDRN O=C(c1c(F)ccc(O)c1O)N1CCC[C@H](CO)C1 ZINC000276645619 526576420 /nfs/dbraw/zinc/57/64/20/526576420.db2.gz YEVLHXUTFJLEPQ-QMMMGPOBSA-N 0 0 269.272 1.081 20 10 CDCDRN Cc1nn(C)c(C)c1CC(=O)Nc1ccc(N)cc1 ZINC000237685268 527617641 /nfs/dbraw/zinc/61/76/41/527617641.db2.gz LQDKVSADUAIZEO-UHFFFAOYSA-N 0 0 258.325 1.800 20 10 CDCDRN COC(=O)[C@@H]1C[C@H](O)CN1Cc1cc(C)c(C)cc1O ZINC000093441342 1174440829 /nfs/dbraw/zinc/44/08/29/1174440829.db2.gz QJZYZYVPSURPIA-STQMWFEESA-N 0 0 279.336 1.117 20 10 CDCDRN Cc1ccccc1/C=C1/SC(=S)N(CC(N)=O)C1=O ZINC000727176980 574553609 /nfs/dbraw/zinc/55/36/09/574553609.db2.gz UZZJYPNBULFALG-UXBLZVDNSA-N 0 0 292.385 1.682 20 10 CDCDRN O=C(NCc1ccccc1O)c1ccccc1-n1cnnn1 ZINC000728211066 574622745 /nfs/dbraw/zinc/62/27/45/574622745.db2.gz QXOUXJVUTQUJIR-UHFFFAOYSA-N 0 0 295.302 1.298 20 10 CDCDRN C[C@H]1C[C@H](C)CN(S(=O)(=O)NCc2ccccc2O)C1 ZINC000751150302 574631734 /nfs/dbraw/zinc/63/17/34/574631734.db2.gz AMRDBFFUGTVARH-RYUDHWBXSA-N 0 0 298.408 1.705 20 10 CDCDRN COCCC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000737760348 574878045 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Cc1cc(N(C)C)ccc1CNc1ccc2nnnn2n1 ZINC000301285423 364209477 /nfs/dbraw/zinc/20/94/77/364209477.db2.gz LPTTWBMYHGKVPZ-UHFFFAOYSA-N 0 0 283.339 1.506 20 10 CDCDRN CN(Cc1ccccc1O)c1nnc(Cl)cc1C(N)=O ZINC000302617009 364530595 /nfs/dbraw/zinc/53/05/95/364530595.db2.gz GCCTVZDRZWAAAO-UHFFFAOYSA-N 0 0 292.726 1.571 20 10 CDCDRN COC(=O)N[C@@H](C)C(=O)N(C)Cc1ccccc1O ZINC000270496878 364625550 /nfs/dbraw/zinc/62/55/50/364625550.db2.gz CNOCNMRYRBZMPU-VIFPVBQESA-N 0 0 266.297 1.095 20 10 CDCDRN CCOC(=O)C(C)(C)C(=O)NCc1ccccc1O ZINC000270698740 364712027 /nfs/dbraw/zinc/71/20/27/364712027.db2.gz SMTHUKSPBILUCW-UHFFFAOYSA-N 0 0 265.309 1.598 20 10 CDCDRN COc1cccc(CN2CCn3nc(C)nc3C2)c1O ZINC000271202077 364971925 /nfs/dbraw/zinc/97/19/25/364971925.db2.gz UTZNZVHOJWJBAA-UHFFFAOYSA-N 0 0 274.324 1.317 20 10 CDCDRN CCCN(Cc1ccccc1O)C(=O)c1cn[nH]n1 ZINC000170731796 365096722 /nfs/dbraw/zinc/09/67/22/365096722.db2.gz FGWOESXQJYMEFI-UHFFFAOYSA-N 0 0 260.297 1.563 20 10 CDCDRN C[C@@H](NC(=O)c1cccc(O)c1O)C1CCOCC1 ZINC000193135061 365279039 /nfs/dbraw/zinc/27/90/39/365279039.db2.gz SGPIDMVQZJLRJR-SECBINFHSA-N 0 0 265.309 1.643 20 10 CDCDRN C[C@@H]([NH2+]CC1(C)COC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273582545 365510496 /nfs/dbraw/zinc/51/04/96/365510496.db2.gz NBGLQIDCAAEVAV-SECBINFHSA-N 0 0 266.297 1.988 20 10 CDCDRN C[C@@H]([NH2+]C[C@H]1COCCN1)c1ccc(F)cc1[O-] ZINC000530227844 368151539 /nfs/dbraw/zinc/15/15/39/368151539.db2.gz WHMCPMUUIGQZGU-KOLCDFICSA-N 0 0 254.305 1.170 20 10 CDCDRN Cc1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])n(C)n1 ZINC000283994385 368446692 /nfs/dbraw/zinc/44/66/92/368446692.db2.gz OZRLXGIHZPQUIH-UHFFFAOYSA-N 0 0 276.296 1.632 20 10 CDCDRN O=C(NCCC1(O)CCOCC1)NCc1ccccc1O ZINC000286812063 368987197 /nfs/dbraw/zinc/98/71/97/368987197.db2.gz JQAVMADMAAVNQV-UHFFFAOYSA-N 0 0 294.351 1.123 20 10 CDCDRN COc1ccc(O)c(CN(C)Cc2nccn2C)c1 ZINC000134107638 369517065 /nfs/dbraw/zinc/51/70/65/369517065.db2.gz ZVHOFPWUMRWDBS-UHFFFAOYSA-N 0 0 261.325 1.766 20 10 CDCDRN C[N@H+](Cc1cccc(Cl)c1[O-])[C@@H]1COC[C@H]1O ZINC000289623649 369594640 /nfs/dbraw/zinc/59/46/40/369594640.db2.gz LQPSPLNQTBGUCI-GHMZBOCLSA-N 0 0 257.717 1.237 20 10 CDCDRN Cc1cc(CN2C[C@@H](C)O[C@H](C(N)=O)C2)ccc1N(C)C ZINC000292677730 370372174 /nfs/dbraw/zinc/37/21/74/370372174.db2.gz BPNOONYBPGGFLZ-DOMZBBRYSA-N 0 0 291.395 1.136 20 10 CDCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1CSC1 ZINC000631563096 376367468 /nfs/dbraw/zinc/36/74/68/376367468.db2.gz RNEIROKMMXVLCO-UHFFFAOYSA-N 0 0 278.377 1.841 20 10 CDCDRN CC(C)(CCC(=O)NCc1ccc(O)c(O)c1)[N+](=O)[O-] ZINC000296630760 378733088 /nfs/dbraw/zinc/73/30/88/378733088.db2.gz VRASGABUZDRBPN-UHFFFAOYSA-N 0 0 282.296 1.550 20 10 CDCDRN CCO[C@@H]1C[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000069914672 379203347 /nfs/dbraw/zinc/20/33/47/379203347.db2.gz FZRPUUMAFJCUSZ-SMDDNHRTSA-N 0 0 280.343 1.933 20 10 CDCDRN Cc1ccc(C(=O)NC[C@@]2(O)CCSC2)c(O)c1O ZINC000271325723 413039697 /nfs/dbraw/zinc/03/96/97/413039697.db2.gz YFBPANSZPBMROB-ZDUSSCGKSA-N 0 0 283.349 1.004 20 10 CDCDRN COC[C@H](NC(=O)N(C)Cc1ccccc1O)C1CC1 ZINC000120007213 390863063 /nfs/dbraw/zinc/86/30/63/390863063.db2.gz ORFHDGPBBULMGV-ZDUSSCGKSA-N 0 0 278.352 1.959 20 10 CDCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCO ZINC000121724214 390891773 /nfs/dbraw/zinc/89/17/73/390891773.db2.gz FEUOTDBAZYGJTA-UHFFFAOYSA-N 0 0 264.350 1.878 20 10 CDCDRN CC1=C(C(=O)NCCc2ccc(O)c(O)c2)CCCO1 ZINC000122215244 390898703 /nfs/dbraw/zinc/89/87/03/390898703.db2.gz LVBWIEXLVQJQKL-UHFFFAOYSA-N 0 0 277.320 1.841 20 10 CDCDRN CCS(=O)(=O)CCN(C)Cc1cccc(OC)c1O ZINC000093643471 390903850 /nfs/dbraw/zinc/90/38/50/390903850.db2.gz VFLGHCWJGBFDTO-UHFFFAOYSA-N 0 0 287.381 1.267 20 10 CDCDRN CC(C)OC[C@@H]1CN(C(=O)c2cccc(O)c2O)CCO1 ZINC000369130116 391088630 /nfs/dbraw/zinc/08/86/30/391088630.db2.gz KWXVLKIZWNFXLF-NSHDSACASA-N 0 0 295.335 1.364 20 10 CDCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cn[nH]c1 ZINC000174510710 391122997 /nfs/dbraw/zinc/12/29/97/391122997.db2.gz ATQKKSAWVURRLS-UHFFFAOYSA-N 0 0 271.320 1.924 20 10 CDCDRN CCOCCCNC(=O)c1ccc(C)c(O)c1O ZINC000177664222 391173706 /nfs/dbraw/zinc/17/37/06/391173706.db2.gz BKSQXWFUCSINHC-UHFFFAOYSA-N 0 0 253.298 1.563 20 10 CDCDRN Cc1ccc(C(=O)N2CCSC[C@H]2C)c(O)c1O ZINC000182485493 391236421 /nfs/dbraw/zinc/23/64/21/391236421.db2.gz NFUIXHPPMZPKSZ-SECBINFHSA-N 0 0 267.350 1.984 20 10 CDCDRN Cc1ccc(C(=O)NC[C@H]2CCCC[C@@H]2O)c(O)c1O ZINC000182493658 391236576 /nfs/dbraw/zinc/23/65/76/391236576.db2.gz BTSHLKWYWYBPCZ-PWSUYJOCSA-N 0 0 279.336 1.687 20 10 CDCDRN CC(Cl)(Cl)C(=O)NCc1ccc(O)c(O)c1 ZINC000182551365 391237253 /nfs/dbraw/zinc/23/72/53/391237253.db2.gz XUZYBCLJCOHQDP-UHFFFAOYSA-N 0 0 264.108 1.908 20 10 CDCDRN Cc1ccc(C(=O)N2CCC[C@H](CC(N)=O)C2)c(O)c1O ZINC000182546943 391237641 /nfs/dbraw/zinc/23/76/41/391237641.db2.gz PCPYDYJKEAZBPD-SNVBAGLBSA-N 0 0 292.335 1.134 20 10 CDCDRN C[C@H]1CCN(C(=O)c2cccc(O)c2O)CC[S@]1=O ZINC000277671923 391373846 /nfs/dbraw/zinc/37/38/46/391373846.db2.gz WDYIYCFCLHMFTQ-ZRNGKTOUSA-N 0 0 283.349 1.081 20 10 CDCDRN CC(=O)N(C)CC(=O)NCc1c(C)c2ccccc2n1C ZINC000348663486 391450508 /nfs/dbraw/zinc/45/05/08/391450508.db2.gz UGDMIEDOVKEWLN-UHFFFAOYSA-N 0 0 287.363 1.581 20 10 CDCDRN COc1ncc(/C=C\C(=O)N2CCCc3ncccc32)cn1 ZINC000493592457 393216184 /nfs/dbraw/zinc/21/61/84/393216184.db2.gz RIWQFGSPOLVJAG-SREVYHEPSA-N 0 0 296.330 1.873 20 10 CDCDRN Cc1ccc(C(=O)N2CC([C@@H]3CCOC3)C2)c(O)c1O ZINC000366863825 225053938 /nfs/dbraw/zinc/05/39/38/225053938.db2.gz JXVMONIEGVPZQU-SNVBAGLBSA-N 0 0 277.320 1.515 20 10 CDCDRN CCN(CC)c1ccc(CNCc2ncn(C)n2)cc1 ZINC000092852500 260272701 /nfs/dbraw/zinc/27/27/01/260272701.db2.gz RCPPLRBBZXTEMC-UHFFFAOYSA-N 0 0 273.384 1.951 20 10 CDCDRN CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000128124840 260371968 /nfs/dbraw/zinc/37/19/68/260371968.db2.gz VZKSFRIDITXTGP-QWHCGFSZSA-N 0 0 265.309 1.370 20 10 CDCDRN COc1cccc(CNS(=O)(=O)CCC(C)C)c1O ZINC000161111129 261236837 /nfs/dbraw/zinc/23/68/37/261236837.db2.gz WDZYASOKNBKGQL-UHFFFAOYSA-N 0 0 287.381 1.866 20 10 CDCDRN CN(C)c1ncc(CN(C)c2ccc3c(c2)OCO3)cn1 ZINC000272544288 263006201 /nfs/dbraw/zinc/00/62/01/263006201.db2.gz PSXXQUXTNOMTID-UHFFFAOYSA-N 0 0 286.335 1.908 20 10 CDCDRN O=S(=O)(NCc1ccc(N2CCCC2)cc1)C1COC1 ZINC000276828384 263038366 /nfs/dbraw/zinc/03/83/66/263038366.db2.gz AQAIAOMSLGMHHY-UHFFFAOYSA-N 0 0 296.392 1.105 20 10 CDCDRN O=C(c1cccc(O)c1O)N1CCC[C@H](C2OCCO2)C1 ZINC000280758012 263064125 /nfs/dbraw/zinc/06/41/25/263064125.db2.gz XUCXRCBGCAMNSC-JTQLQIEISA-N 0 0 293.319 1.323 20 10 CDCDRN Cc1nccn1CCNC(=O)NCc1ccccc1O ZINC000299552562 263246635 /nfs/dbraw/zinc/24/66/35/263246635.db2.gz XWYZQFFVBNBRFP-UHFFFAOYSA-N 0 0 274.324 1.397 20 10 CDCDRN Cc1c(C(=O)N(C)Cc2ccc(N(C)C)cc2)nnn1C ZINC000265897654 328167182 /nfs/dbraw/zinc/16/71/82/328167182.db2.gz CDRKUKLWRRBUHO-UHFFFAOYSA-N 0 0 287.367 1.462 20 10 CDCDRN Cc1nn(C)c2c1N(C(=O)/C=C/c1cncc(C)c1)CCO2 ZINC000271809509 328197391 /nfs/dbraw/zinc/19/73/91/328197391.db2.gz KREJQBMAYRCJEA-SNAWJCMRSA-N 0 0 298.346 1.871 20 10 CDCDRN Nc1ccc(CC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)cc1 ZINC000237894623 329695274 /nfs/dbraw/zinc/69/52/74/329695274.db2.gz VINIHMHXAYLYRW-CABCVRRESA-N 0 0 290.363 1.218 20 10 CDCDRN COc1cccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c1O ZINC000134138792 334081539 /nfs/dbraw/zinc/08/15/39/334081539.db2.gz JSTMTDBMHKFKQO-AWEZNQCLSA-N 0 0 292.379 1.307 20 10 CDCDRN COc1ccc(O)c(C[NH2+][C@@H](C)C(=O)N2CCCC2)c1 ZINC000135778537 334138549 /nfs/dbraw/zinc/13/85/49/334138549.db2.gz XBWKHXVQKLMTCI-NSHDSACASA-N 0 0 278.352 1.501 20 10 CDCDRN CC(C)NS(=O)(=O)N(C)Cc1ccccc1O ZINC000272156305 334749802 /nfs/dbraw/zinc/74/98/02/334749802.db2.gz FEDVCZGLSDEVKH-UHFFFAOYSA-N 0 0 258.343 1.067 20 10 CDCDRN Cc1cc(C)c(CNC(=O)Cn2cccn2)c(O)c1 ZINC001142158962 1160392519 /nfs/dbraw/zinc/39/25/19/1160392519.db2.gz KSECMPAVTZRVKU-UHFFFAOYSA-N 0 0 259.309 1.522 20 10 CDCDRN Cc1nnccc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000677060757 482525011 /nfs/dbraw/zinc/52/50/11/482525011.db2.gz XSEXXOZQUMHGTH-UHFFFAOYSA-N 0 0 298.346 1.890 20 10 CDCDRN CCOC(=O)[C@H](C)NCc1cccc(OCC)c1O ZINC000049368822 521207654 /nfs/dbraw/zinc/20/76/54/521207654.db2.gz OGIZCPKJELKHNH-JTQLQIEISA-N 0 0 267.325 1.832 20 10 CDCDRN CC(C)(O)CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000279587150 519339089 /nfs/dbraw/zinc/33/90/89/519339089.db2.gz RBWJFKKTKLUASK-UHFFFAOYSA-N 0 0 292.379 1.300 20 10 CDCDRN CC(C)OCc1cc(NS(=O)(=O)N(C)C)ccc1O ZINC000290427707 519774904 /nfs/dbraw/zinc/77/49/04/519774904.db2.gz AJMGCBXPPBONEJ-UHFFFAOYSA-N 0 0 288.369 1.536 20 10 CDCDRN CCN1C(=O)C(=CNCC(C)C)C(=O)N(CC)C1=S ZINC000048402991 521516318 /nfs/dbraw/zinc/51/63/18/521516318.db2.gz GMPSLIVENLAVQB-UHFFFAOYSA-N 0 0 283.397 1.111 20 10 CDCDRN CCOCCCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000031726713 521712780 /nfs/dbraw/zinc/71/27/80/521712780.db2.gz HRLOYZPOTIDGQD-UHFFFAOYSA-N 0 0 279.384 1.978 20 10 CDCDRN COc1c([O-])c(C[NH2+]CC(C)(C)O)ccc1[N+](=O)[O-] ZINC000278536086 521874243 /nfs/dbraw/zinc/87/42/43/521874243.db2.gz WDZFUNRWUJQGAE-UHFFFAOYSA-N 0 0 270.285 1.170 20 10 CDCDRN COCC[C@H]1NC(=O)N(Cc2ccc(N(C)C)cc2)C1=O ZINC000285841374 521996021 /nfs/dbraw/zinc/99/60/21/521996021.db2.gz HANKYQSQUYHJOV-CYBMUJFWSA-N 0 0 291.351 1.210 20 10 CDCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCC(=O)N(C)C)c1 ZINC000273555315 522135182 /nfs/dbraw/zinc/13/51/82/522135182.db2.gz GTCFKENDTMEQJR-JTQLQIEISA-N 0 0 294.351 1.308 20 10 CDCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2C[C@@H](O)C2(C)C)c1 ZINC000275269798 522140276 /nfs/dbraw/zinc/14/02/76/522140276.db2.gz BRHQNTHXZWWNDF-CUOATXAZSA-N 0 0 293.363 1.989 20 10 CDCDRN CCc1nc(CN(C)c2ccc3c(c2)OCO3)no1 ZINC000121244567 522291173 /nfs/dbraw/zinc/29/11/73/522291173.db2.gz HJVZKAREWXSLLA-UHFFFAOYSA-N 0 0 261.281 1.997 20 10 CDCDRN COCCCn1ccc(NC(=O)Cc2ccc(N)cc2)n1 ZINC000237252251 523503571 /nfs/dbraw/zinc/50/35/71/523503571.db2.gz DSLWOJNDVUOKNW-UHFFFAOYSA-N 0 0 288.351 1.683 20 10 CDCDRN C[C@@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000075414630 524255939 /nfs/dbraw/zinc/25/59/39/524255939.db2.gz JDGRDVWIVVYKQW-SECBINFHSA-N 0 0 298.364 1.388 20 10 CDCDRN COc1ccc(O)c(CN[C@]2(C)CCOC2=O)c1 ZINC000290772388 524754866 /nfs/dbraw/zinc/75/48/66/524754866.db2.gz CFRGKWNTACSVHS-CYBMUJFWSA-N 0 0 251.282 1.196 20 10 CDCDRN C[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000278662683 525425918 /nfs/dbraw/zinc/42/59/18/525425918.db2.gz FMYFATXIMGGTFS-IMSIIYSGSA-N 0 0 296.323 1.491 20 10 CDCDRN C[C@@H](O)CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000278748166 525756636 /nfs/dbraw/zinc/75/66/36/525756636.db2.gz WAAGMFSBHVUYEW-SECBINFHSA-N 0 0 254.286 1.551 20 10 CDCDRN O=C(NCCSCCCO)c1c(F)ccc(O)c1O ZINC000276645730 526371650 /nfs/dbraw/zinc/37/16/50/526371650.db2.gz VUAFYAXAKXNPAK-UHFFFAOYSA-N 0 0 289.328 1.082 20 10 CDCDRN Cc1ncc2c(n1)CC[C@H](NC(=O)Cc1ccc(N)cc1)C2 ZINC000366326427 527319116 /nfs/dbraw/zinc/31/91/16/527319116.db2.gz XQVYIRZNEHYFJR-HNNXBMFYSA-N 0 0 296.374 1.583 20 10 CDCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c1 ZINC000280421483 527369207 /nfs/dbraw/zinc/36/92/07/527369207.db2.gz ZGKCDNKTCWKULU-JQWIXIFHSA-N 0 0 296.323 1.035 20 10 CDCDRN Nc1ccc(CCNC(=O)[C@H]2CSCCS2)cc1 ZINC000238128887 527480508 /nfs/dbraw/zinc/48/05/08/527480508.db2.gz QNLLOMOEVWWMAW-GFCCVEGCSA-N 0 0 282.434 1.776 20 10 CDCDRN Cc1cc(O)c(C[N@@H+]2C[C@H](O)C[C@H]2C(=O)[O-])cc1C ZINC001600285396 1174437895 /nfs/dbraw/zinc/43/78/95/1174437895.db2.gz AZLGNXGDMKFTCA-NEPJUHHUSA-N 0 0 265.309 1.029 20 10 CDCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC(=O)NC1 ZINC000727168211 574553236 /nfs/dbraw/zinc/55/32/36/574553236.db2.gz KOEMUUCXVSHAPD-LBPRGKRZSA-N 0 0 290.363 1.657 20 10 CDCDRN Cc1ccsc1/C=C1\SC(=S)N(CC(N)=O)C1=O ZINC000727176620 574553619 /nfs/dbraw/zinc/55/36/19/574553619.db2.gz NDKZKSVCMXEVFO-YWEYNIOJSA-N 0 0 298.414 1.743 20 10 CDCDRN Nc1cc(C(=O)NCc2ccccc2O)cc(Cl)n1 ZINC000728967137 574679161 /nfs/dbraw/zinc/67/91/61/574679161.db2.gz JOROHDJUDQYHLB-UHFFFAOYSA-N 0 0 277.711 1.953 20 10 CDCDRN CC(C)NC(=O)CCCC(=O)NCc1ccccc1O ZINC000729530060 574815277 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295.358 1.606 20 10 CDCDRN O=C(c1cccc(O)c1O)N(C[C@@H]1CCOC1)C1CC1 ZINC000187198291 357740126 /nfs/dbraw/zinc/74/01/26/357740126.db2.gz INJALYSLGQTRKX-JTQLQIEISA-N 0 0 277.320 1.739 20 10 CDCDRN CN(CCCn1ccnc1)C(=O)c1cccc(O)c1O ZINC000187196460 357740444 /nfs/dbraw/zinc/74/04/44/357740444.db2.gz DACFHEKGVUKWDF-UHFFFAOYSA-N 0 0 275.308 1.457 20 10 CDCDRN COCCN(C)CC[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187691997 357796105 /nfs/dbraw/zinc/79/61/05/357796105.db2.gz JCSVZWHTTHELJN-SNVBAGLBSA-N 0 0 288.338 1.899 20 10 CDCDRN CN(C)c1ccc(CNC(=O)N2CC[C@](C)(O)C2)cc1F ZINC000188553948 357910550 /nfs/dbraw/zinc/91/05/50/357910550.db2.gz KTHVSQOFFZFRAY-HNNXBMFYSA-N 0 0 295.358 1.558 20 10 CDCDRN CC[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@H](C)O1 ZINC000193063033 358261351 /nfs/dbraw/zinc/26/13/51/358261351.db2.gz QRWKVVRUYLIGCD-VHSXEESVSA-N 0 0 265.309 1.737 20 10 CDCDRN Nc1ccc(CC(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000020185733 358341300 /nfs/dbraw/zinc/34/13/00/358341300.db2.gz UDEVAJZOVZUKAS-UHFFFAOYSA-N 0 0 296.374 1.555 20 10 CDCDRN C[C@H]([NH2+]CC1(C)COC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273582547 299279464 /nfs/dbraw/zinc/27/94/64/299279464.db2.gz NBGLQIDCAAEVAV-VIFPVBQESA-N 0 0 266.297 1.988 20 10 CDCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC(O)(C2CC2)C1 ZINC000365249955 359193746 /nfs/dbraw/zinc/19/37/46/359193746.db2.gz ZVIMIPQDNZFLCN-QHHAFSJGSA-N 0 0 275.304 1.094 20 10 CDCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2C[C@@H](O)C2)cc1 ZINC000297357508 200161783 /nfs/dbraw/zinc/16/17/83/200161783.db2.gz LGQJYOHDFZBRGL-OTVXOJSOSA-N 0 0 291.395 1.855 20 10 CDCDRN C[C@H]([NH2+]Cc1nccn1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273615731 299324457 /nfs/dbraw/zinc/32/44/57/299324457.db2.gz XGELHTYZBHCUHH-VIFPVBQESA-N 0 0 276.296 1.885 20 10 CDCDRN Cc1cc(CC(=O)N(C)Cc2ccccc2O)[nH]n1 ZINC000268066481 363964443 /nfs/dbraw/zinc/96/44/43/363964443.db2.gz XNLDZTPTGNQEGY-UHFFFAOYSA-N 0 0 259.309 1.625 20 10 CDCDRN CC[C@](C)(NC(=O)Cc1ccc(N)cc1)C(=O)OC ZINC000269220716 364160531 /nfs/dbraw/zinc/16/05/31/364160531.db2.gz KCMWUTBZRPMRDE-AWEZNQCLSA-N 0 0 264.325 1.269 20 10 CDCDRN C[C@@H](COCC(F)(F)F)NC(=O)Cc1ccc(N)cc1 ZINC000269239506 364166832 /nfs/dbraw/zinc/16/68/32/364166832.db2.gz WUSQGEAWGXCGCP-VIFPVBQESA-N 0 0 290.285 1.895 20 10 CDCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCCC(=O)N2)cc1 ZINC000270265936 364526231 /nfs/dbraw/zinc/52/62/31/364526231.db2.gz ZBRYVWOZVAOLHX-ZDUSSCGKSA-N 0 0 275.352 1.038 20 10 CDCDRN CSCC[C@@H](O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000270801890 364766041 /nfs/dbraw/zinc/76/60/41/364766041.db2.gz ZVJJTFITCCPFCH-CYBMUJFWSA-N 0 0 282.409 1.483 20 10 CDCDRN CN(C)c1ccc(CN(Cc2nc(=O)[nH][nH]2)C2CC2)cc1 ZINC000271202377 364974340 /nfs/dbraw/zinc/97/43/40/364974340.db2.gz QYCRMDFYCOHKPA-UHFFFAOYSA-N 0 0 287.367 1.329 20 10 CDCDRN CN(C)c1ccc(CN2C(=O)CN(C)C2=O)cc1F ZINC000272320709 365188194 /nfs/dbraw/zinc/18/81/94/365188194.db2.gz BHKSJVSJHPLILW-UHFFFAOYSA-N 0 0 265.288 1.286 20 10 CDCDRN CO[C@@H](C)CCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272346198 365199783 /nfs/dbraw/zinc/19/97/83/365199783.db2.gz AHSXXEMPYMSPDP-RWCYGVJQSA-N 0 0 265.309 1.652 20 10 CDCDRN COC(=O)C[C@H]1CCCN1C(=O)c1ccc(C)c(O)c1O ZINC000272774436 365390066 /nfs/dbraw/zinc/39/00/66/365390066.db2.gz SZKHFSLLWBSSEB-SNVBAGLBSA-N 0 0 293.319 1.574 20 10 CDCDRN C[C@H]([NH2+]CC(C)(C)O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273611468 365512279 /nfs/dbraw/zinc/51/22/79/365512279.db2.gz WEERSVSTYFOGDV-QMMMGPOBSA-N 0 0 254.286 1.722 20 10 CDCDRN CC[C@](C)(O)C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273467250 365499717 /nfs/dbraw/zinc/49/97/17/365499717.db2.gz FBNUZILNGAWLCF-BMIGLBTASA-N 0 0 281.352 1.990 20 10 CDCDRN Cc1ccc(C(=O)N2C[C@H](O)C(C)(C)C2)c(O)c1O ZINC000279779404 367131267 /nfs/dbraw/zinc/13/12/67/367131267.db2.gz NOFBQCZRKWEFPI-JTQLQIEISA-N 0 0 265.309 1.249 20 10 CDCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1COCCN1 ZINC000530181291 368146606 /nfs/dbraw/zinc/14/66/06/368146606.db2.gz LHMTUPBRQKSYEJ-SNVBAGLBSA-N 0 0 256.733 1.124 20 10 CDCDRN CC(C)[C@@H](NC(=O)c1cccc(O)c1O)c1nncn1C ZINC000286405024 368818764 /nfs/dbraw/zinc/81/87/64/368818764.db2.gz LJQDSFFDGVBEMQ-LLVKDONJSA-N 0 0 290.323 1.353 20 10 CDCDRN CN(C)c1ccc(CNC(=O)[C@](C)(O)C2CC2)cc1F ZINC000287016300 369061806 /nfs/dbraw/zinc/06/18/06/369061806.db2.gz PUZAJOOFSAWZJA-OAHLLOKOSA-N 0 0 280.343 1.669 20 10 CDCDRN O=C(NCc1ccc(O)c(O)c1)c1cnc2n1CCCC2 ZINC000371498422 370294694 /nfs/dbraw/zinc/29/46/94/370294694.db2.gz VEEDFGSVPWGUEC-UHFFFAOYSA-N 0 0 287.319 1.561 20 10 CDCDRN Oc1cccc2c1[C@H]([NH2+]CC1(N3CCOCC3)CC1)CC2 ZINC000296575428 371825666 /nfs/dbraw/zinc/82/56/66/371825666.db2.gz VNIRAVSZYZBEGC-CQSZACIVSA-N 0 0 288.391 1.834 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)NC[C@H]1CCOC1 ZINC000298754872 372274526 /nfs/dbraw/zinc/27/45/26/372274526.db2.gz SGHBZOVSCGVHDT-LLVKDONJSA-N 0 0 264.325 1.570 20 10 CDCDRN O=C(NCCCCCCO)c1cccc(O)c1O ZINC000193153016 373682625 /nfs/dbraw/zinc/68/26/25/373682625.db2.gz IGCVLFKVRLLQCT-UHFFFAOYSA-N 0 0 253.298 1.380 20 10 CDCDRN COc1ccc(N2CC[NH+](CCCC(=O)[O-])CC2)cc1F ZINC000151359654 374346011 /nfs/dbraw/zinc/34/60/11/374346011.db2.gz JGJXQCJVAIJXHA-UHFFFAOYSA-N 0 0 296.342 1.821 20 10 CDCDRN CN(CCCS(C)(=O)=O)Cc1ccccc1O ZINC000109769793 390648177 /nfs/dbraw/zinc/64/81/77/390648177.db2.gz IDVICRMFIINRCB-UHFFFAOYSA-N 0 0 257.355 1.259 20 10 CDCDRN COc1ccc(N(C)CCN2C(=O)CCC2=O)c(OC)c1 ZINC000132262670 390931571 /nfs/dbraw/zinc/93/15/71/390931571.db2.gz LHUOPFWAMSXBGE-UHFFFAOYSA-N 0 0 292.335 1.289 20 10 CDCDRN CN1CCCc2cc(CNC(=O)c3cc[nH]c(=O)c3)ccc21 ZINC000151335955 390965410 /nfs/dbraw/zinc/96/54/10/390965410.db2.gz XIQWLIZXBSQZRI-UHFFFAOYSA-N 0 0 297.358 1.687 20 10 CDCDRN Cc1ccc(C(=O)N2CCS[C@H](C)C2)c(O)c1O ZINC000182380753 391234028 /nfs/dbraw/zinc/23/40/28/391234028.db2.gz IASUBFYYJWNHCT-SECBINFHSA-N 0 0 267.350 1.984 20 10 CDCDRN CS[C@H](C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000269113528 391239892 /nfs/dbraw/zinc/23/98/92/391239892.db2.gz CCYSLTNNBKNIRB-MRVPVSSYSA-N 0 0 255.339 1.508 20 10 CDCDRN Cc1ccc(C(=O)NCCCCCO)c(O)c1O ZINC000193362514 391337168 /nfs/dbraw/zinc/33/71/68/391337168.db2.gz ZPNVKQBEERCQJW-UHFFFAOYSA-N 0 0 253.298 1.299 20 10 CDCDRN CNC(=O)[C@]1(C)CCN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000281854004 391413225 /nfs/dbraw/zinc/41/32/25/391413225.db2.gz QHPVEAKBFCAIPA-OAHLLOKOSA-N 0 0 292.335 1.004 20 10 CDCDRN Cc1ccc(C(=O)N(CCO)CC(F)F)c(O)c1O ZINC000194393004 391357556 /nfs/dbraw/zinc/35/75/56/391357556.db2.gz PMUUKYVGIIRUKA-UHFFFAOYSA-N 0 0 275.251 1.106 20 10 CDCDRN O=C(CC[NH2+]Cc1cccc(Cl)c1[O-])N1CCOCC1 ZINC000135757857 393311153 /nfs/dbraw/zinc/31/11/53/393311153.db2.gz CBVHCBITEJPOHO-UHFFFAOYSA-N 0 0 298.770 1.384 20 10 CDCDRN O=C(c1cccc(O)c1O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000126403580 260351536 /nfs/dbraw/zinc/35/15/36/260351536.db2.gz SZBZLMFWJGOIAR-LLVKDONJSA-N 0 0 276.336 1.408 20 10 CDCDRN COc1cccnc1N(C)C(=O)/C=C/c1cnn(C)c1C ZINC000151989946 261057626 /nfs/dbraw/zinc/05/76/26/261057626.db2.gz ZBRIDVDVJTYADQ-BQYQJAHWSA-N 0 0 286.335 1.808 20 10 CDCDRN COCC(C)(C)C(=O)NCc1cccc(OC)c1O ZINC000160292641 261210108 /nfs/dbraw/zinc/21/01/08/261210108.db2.gz KPJXIVRMXJKYDQ-UHFFFAOYSA-N 0 0 267.325 1.690 20 10 CDCDRN CN1CCCc2cc(CNC(=O)[C@@H]3CSCN3)ccc21 ZINC000166478593 261390523 /nfs/dbraw/zinc/39/05/23/261390523.db2.gz SIJIHDAEPVDRBG-ZDUSSCGKSA-N 0 0 291.420 1.348 20 10 CDCDRN Cc1cc(C(=O)N[C@@H](C)C(N)=O)c(C)n1-c1ccccn1 ZINC000183207198 261967171 /nfs/dbraw/zinc/96/71/71/261967171.db2.gz GOFBHIIZIZKYTP-JTQLQIEISA-N 0 0 286.335 1.093 20 10 CDCDRN CCn1ccnc(N[C@@H](C)Cc2ccc(O)c(O)c2)c1=O ZINC000184147652 262010554 /nfs/dbraw/zinc/01/05/54/262010554.db2.gz ACRUWRVNUPDUCM-JTQLQIEISA-N 0 0 289.335 1.718 20 10 CDCDRN O=C(N[C@H]1CCCSC1)c1cccc(O)c1O ZINC000126558351 264222938 /nfs/dbraw/zinc/22/29/38/264222938.db2.gz OGDOKZNFAWUUJJ-QMMMGPOBSA-N 0 0 253.323 1.723 20 10 CDCDRN CN(C)c1ccc(CNc2ccnc(C(N)=O)c2)cc1F ZINC000131962886 264377430 /nfs/dbraw/zinc/37/74/30/264377430.db2.gz AMUVCYXGFHSCPO-UHFFFAOYSA-N 0 0 288.326 1.998 20 10 CDCDRN O=C(COC(=O)c1cccc(O)c1O)Nc1ccccc1 ZINC000776281847 724383998 /nfs/dbraw/zinc/38/39/98/724383998.db2.gz LMENPBISDHPJEJ-UHFFFAOYSA-N 0 0 287.271 1.893 20 10 CDCDRN COC[C@H](O)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273477742 293172294 /nfs/dbraw/zinc/17/22/94/293172294.db2.gz LCOOTICTOZYJJG-MWLCHTKSSA-N 0 0 284.312 1.348 20 10 CDCDRN Cc1ccc(C(=O)NC[C@](C)(O)C(F)(F)F)c(O)c1O ZINC000272945576 328201876 /nfs/dbraw/zinc/20/18/76/328201876.db2.gz HQQJMPUAMDGURA-NSHDSACASA-N 0 0 293.241 1.449 20 10 CDCDRN Cc1ccc(C(=O)NCC(C)(C)CCCO)c(O)c1O ZINC000273042481 328203393 /nfs/dbraw/zinc/20/33/93/328203393.db2.gz VMSSTELMWORWPE-UHFFFAOYSA-N 0 0 281.352 1.935 20 10 CDCDRN COc1cc(Cl)cc(CNCc2nncn2C)c1O ZINC000228670999 329058931 /nfs/dbraw/zinc/05/89/31/329058931.db2.gz CFNQUTJTDMJXOR-UHFFFAOYSA-N 0 0 282.731 1.473 20 10 CDCDRN COc1ccc(N2CCN(Cc3ccnc(N)c3)CC2)cc1 ZINC000195524218 331174859 /nfs/dbraw/zinc/17/48/59/331174859.db2.gz BLTMQOZNFMRRAS-UHFFFAOYSA-N 0 0 298.390 1.995 20 10 CDCDRN Cc1cncc(/C=C/C(=O)N2CC(=O)Nc3cnccc32)c1 ZINC000492179469 332386035 /nfs/dbraw/zinc/38/60/35/332386035.db2.gz HIPRFAYGZZWWDC-NSCUHMNNSA-N 0 0 294.314 1.784 20 10 CDCDRN CC(C)NS(=O)(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000272146879 519732237 /nfs/dbraw/zinc/73/22/37/519732237.db2.gz CKSMYVQPPDYNSX-UHFFFAOYSA-N 0 0 289.376 1.224 20 10 CDCDRN CCCOc1ccc(CNc2ncn(C)n2)c(O)c1 ZINC000292404461 520376310 /nfs/dbraw/zinc/37/63/10/520376310.db2.gz JJTHOKFTDPSXJM-UHFFFAOYSA-N 0 0 262.313 1.922 20 10 CDCDRN CC1CCN(C(=O)C(=O)NCc2ccccc2O)CC1 ZINC000278414391 520970570 /nfs/dbraw/zinc/97/05/70/520970570.db2.gz MFDLCOKOPAOSPB-UHFFFAOYSA-N 0 0 276.336 1.267 20 10 CDCDRN CCS(=O)(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000070286491 521658749 /nfs/dbraw/zinc/65/87/49/521658749.db2.gz STQGHQWEYPHVRX-UHFFFAOYSA-N 0 0 298.408 1.305 20 10 CDCDRN COCC[C@@H](C)NC(=O)NCc1ccccc1O ZINC000263763823 521791231 /nfs/dbraw/zinc/79/12/31/521791231.db2.gz RUTTUFYNFPFCAE-SNVBAGLBSA-N 0 0 252.314 1.616 20 10 CDCDRN CC[C@@H](C(=O)NCCc1ccc(N)cc1)N1CCCC1=O ZINC000236979461 521841591 /nfs/dbraw/zinc/84/15/91/521841591.db2.gz MQEZZPWCWHNOPX-AWEZNQCLSA-N 0 0 289.379 1.329 20 10 CDCDRN CC[C@@H](C(N)=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866568 521896567 /nfs/dbraw/zinc/89/65/67/521896567.db2.gz FWDRBFMEFAOPMA-ZDUSSCGKSA-N 0 0 295.358 1.220 20 10 CDCDRN CO[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)C(C)C ZINC000272615070 523509530 /nfs/dbraw/zinc/50/95/30/523509530.db2.gz HUYLTIDRNDAMIJ-DYLGSBMWSA-N 0 0 279.336 1.898 20 10 CDCDRN CC[C@H](C)NC=C1C(=O)NC(=S)N(CC(C)C)C1=O ZINC000048402881 523945378 /nfs/dbraw/zinc/94/53/78/523945378.db2.gz RKJUPTYCCUNJIW-LKJZUNMESA-N 0 0 283.397 1.158 20 10 CDCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C)COC1 ZINC000274885695 524892423 /nfs/dbraw/zinc/89/24/23/524892423.db2.gz BSMIODDMNLGWGT-VIFPVBQESA-N 0 0 265.309 1.182 20 10 CDCDRN C[C@@H](NC(=O)c1cccc(O)c1O)[C@@H]1CCOC1 ZINC000126569008 525343701 /nfs/dbraw/zinc/34/37/01/525343701.db2.gz LDAJDXXEWZQKKM-RKDXNWHRSA-N 0 0 251.282 1.253 20 10 CDCDRN C[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ncnn1C ZINC000276572014 525658360 /nfs/dbraw/zinc/65/83/60/525658360.db2.gz HGXJXWQHLMQQEX-RKDXNWHRSA-N 0 0 291.311 1.841 20 10 CDCDRN Cc1nnsc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000190494155 526443841 /nfs/dbraw/zinc/44/38/41/526443841.db2.gz BRXQVRXJYCTCPH-UHFFFAOYSA-N 0 0 294.355 1.982 20 10 CDCDRN Cc1n[nH]c(C)c1CC(=O)NCCc1ccc(O)c(O)c1 ZINC000274985037 526487758 /nfs/dbraw/zinc/48/77/58/526487758.db2.gz QHJROIKOLXLWNG-UHFFFAOYSA-N 0 0 289.335 1.339 20 10 CDCDRN O=S(=O)(CCC1CCOCC1)NCc1ccccc1O ZINC000292342950 527169801 /nfs/dbraw/zinc/16/98/01/527169801.db2.gz DDTCGOYFVOMLHD-UHFFFAOYSA-N 0 0 299.392 1.628 20 10 CDCDRN Cc1cccc(C[NH2+]C2(CC(=O)[O-])CCOCC2)c1O ZINC001600531908 1174497742 /nfs/dbraw/zinc/49/77/42/1174497742.db2.gz BBAMKJIZPYTLRN-UHFFFAOYSA-N 0 0 279.336 1.814 20 10 CDCDRN Cc1noc([C@H](C)NC(=O)NCc2ccccc2O)n1 ZINC000726250727 574494942 /nfs/dbraw/zinc/49/49/42/574494942.db2.gz BLGRGVNNOSWGGT-QMMMGPOBSA-N 0 0 276.296 1.644 20 10 CDCDRN COC[C@H](C)NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000729040834 574705059 /nfs/dbraw/zinc/70/50/59/574705059.db2.gz IRPZBAXPJCMDRD-UWVGGRQHSA-N 0 0 282.340 1.796 20 10 CDCDRN C[C@H](NC(=O)C1=CC(=O)CS1)C(=O)NC(C)(C)C ZINC000731871842 575067780 /nfs/dbraw/zinc/06/77/80/575067780.db2.gz SOICBQNTEWMJRA-ZETCQYMHSA-N 0 0 270.354 1.487 20 10 CDCDRN CC(C)C(=O)NC1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000732270933 575085315 /nfs/dbraw/zinc/08/53/15/575085315.db2.gz YEQPYFFWKTZDFL-UHFFFAOYSA-N 0 0 296.392 1.831 20 10 CDCDRN CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000734179177 575160387 /nfs/dbraw/zinc/16/03/87/575160387.db2.gz UWAOSUAOZMPHIA-NXEZZACHSA-N 0 0 296.392 1.831 20 10 CDCDRN Oc1ccc(Cl)cc1CN1CCn2ncnc2C1 ZINC000770664967 575483685 /nfs/dbraw/zinc/48/36/85/575483685.db2.gz YDMZKIPNGNAQKB-UHFFFAOYSA-N 0 0 264.716 1.653 20 10 CDCDRN C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)C1=CC(=O)CS1 ZINC000736725620 575730064 /nfs/dbraw/zinc/73/00/64/575730064.db2.gz WLEQXDNTBKOBER-QTDQWHRXSA-N 0 0 273.379 1.435 20 10 CDCDRN COC(=O)NCCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773018131 575774568 /nfs/dbraw/zinc/77/45/68/575774568.db2.gz HINQDBHAEWGOBE-NSHDSACASA-N 0 0 293.367 1.676 20 10 CDCDRN COCC[C@]1(NC(=O)c2cccc(O)c2O)CCOC1 ZINC000773343397 575802652 /nfs/dbraw/zinc/80/26/52/575802652.db2.gz WVILWNJEWHOGKD-AWEZNQCLSA-N 0 0 281.308 1.023 20 10 CDCDRN C[C@@H](NC(=O)N[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000773414046 575808543 /nfs/dbraw/zinc/80/85/43/575808543.db2.gz LGTNSYVMJUWRST-DGCLKSJQSA-N 0 0 277.368 1.902 20 10 CDCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1=COCC1 ZINC000773739889 575837155 /nfs/dbraw/zinc/83/71/55/575837155.db2.gz GKMFGZRCZWDPKG-SECBINFHSA-N 0 0 263.293 1.449 20 10 CDCDRN CCO[C@H](CC)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000773739846 575837183 /nfs/dbraw/zinc/83/71/83/575837183.db2.gz FJXSUIUNGYDURB-IINYFYTJSA-N 0 0 281.352 1.960 20 10 CDCDRN CCN(C)c1ccc(CN2CCS(=O)(=O)C[C@H]2C)cc1 ZINC000773750718 575837667 /nfs/dbraw/zinc/83/76/67/575837667.db2.gz FAPYZTSLESSXRH-CYBMUJFWSA-N 0 0 296.436 1.762 20 10 CDCDRN Cn1cncc1CCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000773830908 575840088 /nfs/dbraw/zinc/84/00/88/575840088.db2.gz PKFVKEZAIBAMEZ-HWKANZROSA-N 0 0 287.319 1.203 20 10 CDCDRN CO[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768464732 576287163 /nfs/dbraw/zinc/28/71/63/576287163.db2.gz SWWZERAQXNWLFI-GWCFXTLKSA-N 0 0 265.309 1.039 20 10 CDCDRN CCOC(=O)[C@@H]1CN(Cc2cc(C)ccc2O)CCO1 ZINC000769465454 576356537 /nfs/dbraw/zinc/35/65/37/576356537.db2.gz CMVUTUCAQZXMQV-AWEZNQCLSA-N 0 0 279.336 1.465 20 10 CDCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCc1ccon1 ZINC000759593088 576408822 /nfs/dbraw/zinc/40/88/22/576408822.db2.gz IUFGAIAZIWWTKO-RQOWECAXSA-N 0 0 261.233 1.842 20 10 CDCDRN COC[C@@H](NC(=O)NCc1ccccc1O)C(C)C ZINC000743637444 576648769 /nfs/dbraw/zinc/64/87/69/576648769.db2.gz KUKJPTCPPFBZGS-GFCCVEGCSA-N 0 0 266.341 1.862 20 10 CDCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)OCCC2CC2)c1 ZINC000744855225 576701026 /nfs/dbraw/zinc/70/10/26/576701026.db2.gz UFSHKBXINPAEFS-UHFFFAOYSA-N 0 0 299.348 1.721 20 10 CDCDRN OCCn1ccc(NCc2c(O)cccc2Cl)n1 ZINC000763459315 576738035 /nfs/dbraw/zinc/73/80/35/576738035.db2.gz JNQHWDAJXOQFQH-UHFFFAOYSA-N 0 0 267.716 1.847 20 10 CDCDRN COc1cccc(CNC(=O)NC[C@@]2(C)CCOC2)c1O ZINC000745818370 576743911 /nfs/dbraw/zinc/74/39/11/576743911.db2.gz NGIRMTUFHQBBJJ-OAHLLOKOSA-N 0 0 294.351 1.627 20 10 CDCDRN O=C(CCOC[C@H]1CCCO1)NCc1ccccc1O ZINC000748346501 576906642 /nfs/dbraw/zinc/90/66/42/576906642.db2.gz ZANGWCAFRPUDQR-CYBMUJFWSA-N 0 0 279.336 1.594 20 10 CDCDRN CCC[C@H](O)CC(=O)N(C)Cc1ccccc1O ZINC000750425089 576987860 /nfs/dbraw/zinc/98/78/60/576987860.db2.gz RHIRZHQFUZDIJK-LBPRGKRZSA-N 0 0 251.326 1.902 20 10 CDCDRN Cc1ccc(C(=O)OCC(=O)NCC(C)C)c(O)c1O ZINC000750619659 576997766 /nfs/dbraw/zinc/99/77/66/576997766.db2.gz SKKXEJRILJOMPK-UHFFFAOYSA-N 0 0 281.308 1.335 20 10 CDCDRN COc1ccc(N(C)CCN2CCOC2=O)cc1F ZINC000758143354 577074889 /nfs/dbraw/zinc/07/48/89/577074889.db2.gz UTPNPZGXDUHSAE-UHFFFAOYSA-N 0 0 268.288 1.723 20 10 CDCDRN CC(C)N1CCC[C@H](OC(=O)c2cccc(O)c2O)C1=O ZINC000758559661 577117348 /nfs/dbraw/zinc/11/73/48/577117348.db2.gz FJEOVJJITVZLSI-LBPRGKRZSA-N 0 0 293.319 1.654 20 10 CDCDRN CCCn1c(C)nnc1COC(=O)c1cccc(O)c1O ZINC000758573111 577119265 /nfs/dbraw/zinc/11/92/65/577119265.db2.gz PBVVAGXPFHAOHZ-UHFFFAOYSA-N 0 0 291.307 1.765 20 10 CDCDRN CN1CCCc2cc(CNC(=O)c3cnco3)ccc21 ZINC000758882496 577138033 /nfs/dbraw/zinc/13/80/33/577138033.db2.gz TZRFGIBSTNYCGL-UHFFFAOYSA-N 0 0 271.320 1.987 20 10 CDCDRN C[C@@H]1OCC[C@@]1(C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000753051836 577142009 /nfs/dbraw/zinc/14/20/09/577142009.db2.gz JZEKRXWQIIKLRV-CTKACEESSA-N 0 0 277.320 1.795 20 10 CDCDRN CCO[C@H]1COCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000759173905 577156896 /nfs/dbraw/zinc/15/68/96/577156896.db2.gz RCVNRQWUXDPKBU-OCCSQVGLSA-N 0 0 296.323 1.584 20 10 CDCDRN O=C([O-])CCCCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000819406497 597137877 /nfs/dbraw/zinc/13/78/77/597137877.db2.gz MWBFQLSYUXUDLN-UHFFFAOYSA-N 0 0 281.308 1.856 20 10 CDCDRN CC[N@H+](CC(=O)[O-])Cc1cc(F)cc(C(C)=O)c1O ZINC000829635462 601150317 /nfs/dbraw/zinc/15/03/17/601150317.db2.gz KHXLFSIATSNQIR-UHFFFAOYSA-N 0 0 269.272 1.640 20 10 CDCDRN CC1=C(C(=O)[O-])C[C@H](C[N@@H+](C)Cc2ccccc2O)O1 ZINC000833585792 605365401 /nfs/dbraw/zinc/36/54/01/605365401.db2.gz YRXFQYQJCIYMHG-GFCCVEGCSA-N 0 0 277.320 1.972 20 10 CDCDRN C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@@H]1C(=O)[O-] ZINC000235348358 605479962 /nfs/dbraw/zinc/47/99/62/605479962.db2.gz PDCGDVZBSNJZLW-KCJUWKMLSA-N 0 0 253.273 1.684 20 10 CDCDRN C[C@H]1COC[C@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000925992503 617303820 /nfs/dbraw/zinc/30/38/20/617303820.db2.gz RPHNUFUZCYSZRV-SWLSCSKDSA-N 0 0 291.395 1.929 20 10 CDCDRN O=CN1CCC[C@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890761780 617321750 /nfs/dbraw/zinc/32/17/50/617321750.db2.gz XNADZOQSFXSVJX-NSHDSACASA-N 0 0 282.727 1.283 20 10 CDCDRN CN1C(=O)CCC[C@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890763002 617322446 /nfs/dbraw/zinc/32/24/46/617322446.db2.gz MGLALVXLOHKZRI-NSHDSACASA-N 0 0 296.754 1.673 20 10 CDCDRN CC(C)OCCCNC(=O)NCCc1ccc(N)cc1 ZINC000841619080 617667307 /nfs/dbraw/zinc/66/73/07/617667307.db2.gz JNAACBGSRZZXHE-UHFFFAOYSA-N 0 0 279.384 1.926 20 10 CDCDRN CCOc1ccc(CN2CCO[C@H](CF)C2)c(O)c1 ZINC000840954469 617755779 /nfs/dbraw/zinc/75/57/79/617755779.db2.gz KBDZWSJTIWNKLM-CYBMUJFWSA-N 0 0 269.316 1.961 20 10 CDCDRN C[N@H+](CCn1cccn1)Cc1cc(F)cc(F)c1[O-] ZINC000894021214 618245058 /nfs/dbraw/zinc/24/50/58/618245058.db2.gz QJJUPGNIHCZBLP-UHFFFAOYSA-N 0 0 267.279 1.999 20 10 CDCDRN NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894536531 618954473 /nfs/dbraw/zinc/95/44/73/618954473.db2.gz AFIPUCDRUGJVKE-QWRKXWFKSA-N 0 0 296.317 1.756 20 10 CDCDRN C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1Cc1ccc(N(C)C)cc1 ZINC000895114559 619305014 /nfs/dbraw/zinc/30/50/14/619305014.db2.gz MOWQATDBZOKKQN-RWMBFGLXSA-N 0 0 275.396 1.850 20 10 CDCDRN C[C@H]([NH2+]CCO[C@H]1CCOC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927081501 621689005 /nfs/dbraw/zinc/68/90/05/621689005.db2.gz SPYHFZBMNUSPBD-JQWIXIFHSA-N 0 0 296.323 1.757 20 10 CDCDRN COCC[N@H+](CC(=O)[O-])Cc1ccc(N(C)C)cc1C ZINC000901587115 624347478 /nfs/dbraw/zinc/34/74/78/624347478.db2.gz LFHWQGXKGNPXLV-UHFFFAOYSA-N 0 0 280.368 1.594 20 10 CDCDRN CC[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)C(=O)[O-] ZINC000903705073 626059127 /nfs/dbraw/zinc/05/91/27/626059127.db2.gz QHLAEGAUOLSUMT-AWEZNQCLSA-N 0 0 292.379 1.724 20 10 CDCDRN COCC(COC)OC(=O)c1ccc(C)c(O)c1O ZINC000908967924 628439892 /nfs/dbraw/zinc/43/98/92/628439892.db2.gz WLDGDADXTVCAOL-UHFFFAOYSA-N 0 0 270.281 1.224 20 10 CDCDRN COCC(C)(C)C(=O)NCc1ccc(O)cc1O ZINC000910949587 629114780 /nfs/dbraw/zinc/11/47/80/629114780.db2.gz LEOCUGIUIHHLKK-UHFFFAOYSA-N 0 0 253.298 1.387 20 10 CDCDRN O=C(NCc1ccc(O)cc1O)C(F)(F)C1(O)CCC1 ZINC000910949917 629114840 /nfs/dbraw/zinc/11/48/40/629114840.db2.gz QKGWYTHSSRRIMN-UHFFFAOYSA-N 0 0 287.262 1.264 20 10 CDCDRN CC[C@H](C(=O)NCc1ccc(O)cc1O)N1CCCC1=O ZINC000910951861 629115670 /nfs/dbraw/zinc/11/56/70/629115670.db2.gz WQEMGBZFNREIBD-GFCCVEGCSA-N 0 0 292.335 1.115 20 10 CDCDRN Cc1nnc(CC(=O)NCc2ccc(O)cc2O)s1 ZINC000910943425 629125273 /nfs/dbraw/zinc/12/52/73/629125273.db2.gz CEHYYOPZCHNQDX-UHFFFAOYSA-N 0 0 279.321 1.117 20 10 CDCDRN O=C(/C=C\[C@@H]1CCOC1)NCc1ccc(O)cc1O ZINC000910945443 629125947 /nfs/dbraw/zinc/12/59/47/629125947.db2.gz WMOXMQHWKVJXRI-GAGJOLBNSA-N 0 0 263.293 1.307 20 10 CDCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1CCc2cccnc21 ZINC000910946182 629126403 /nfs/dbraw/zinc/12/64/03/629126403.db2.gz KCJNMFHXSAVVRB-CYBMUJFWSA-N 0 0 284.315 1.839 20 10 CDCDRN CC(=O)Nc1ccnn1Cc1ccc(N(C)C)cc1 ZINC000154166212 632072821 /nfs/dbraw/zinc/07/28/21/632072821.db2.gz CFSVWVQIDADECK-UHFFFAOYSA-N 0 0 258.325 1.956 20 10 CDCDRN O=C(CNc1ccc2[nH]c(=O)cc-2[nH]1)c1ccc(O)c(O)c1 ZINC001170315371 1162334749 /nfs/dbraw/zinc/33/47/49/1162334749.db2.gz WLVNFWLAKJJYLH-UHFFFAOYSA-N 0 0 299.286 1.282 20 10 CDCDRN CC(C)(C)N1C[C@H](NC(=O)Nc2ccc(N)cc2)CC1=O ZINC000217285443 1164101203 /nfs/dbraw/zinc/10/12/03/1164101203.db2.gz HLFGPZFKHKYYKH-GFCCVEGCSA-N 0 0 290.367 1.790 20 10 CDCDRN O=C(NCc1ccc(O)c(O)c1)C1(F)CCOCC1 ZINC000866768380 1164819713 /nfs/dbraw/zinc/81/97/13/1164819713.db2.gz ABFICVMSTXGMPW-UHFFFAOYSA-N 0 0 269.272 1.233 20 10 CDCDRN Oc1ccccc1CNc1ncc(-c2nn[nH]n2)cc1F ZINC001582815859 1172695314 /nfs/dbraw/zinc/69/53/14/1172695314.db2.gz BYTFGEJTQCUSOG-UHFFFAOYSA-N 0 0 286.270 1.719 20 10 CDCDRN CCCNS(=O)(=O)NCc1ccc(N(C)C)cc1C ZINC000813666160 1163944694 /nfs/dbraw/zinc/94/46/94/1163944694.db2.gz BCQQKBTVMLAEBH-UHFFFAOYSA-N 0 0 285.413 1.395 20 10 CDCDRN COC[C@@H]([NH2+]Cc1cc(C(C)C)ccc1O)C(=O)[O-] ZINC001606815264 1164000382 /nfs/dbraw/zinc/00/03/82/1164000382.db2.gz UTTADTXMTHXGEQ-GFCCVEGCSA-N 0 0 267.325 1.705 20 10 CDCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000841080796 726011156 /nfs/dbraw/zinc/01/11/56/726011156.db2.gz ZWRROYSCSXRHJQ-UWVGGRQHSA-N 0 0 276.714 1.974 20 10 CDCDRN C[C@@H]1CN(Cc2cc(F)c(N(C)C)cc2F)CC(=O)N1 ZINC000862387216 726017855 /nfs/dbraw/zinc/01/78/55/726017855.db2.gz IBUYLBCIAQCCPN-SECBINFHSA-N 0 0 283.322 1.351 20 10 CDCDRN COC[C@](C)(O)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000382544682 726212696 /nfs/dbraw/zinc/21/26/96/726212696.db2.gz FLHUNPORKQAJGL-NOZJJQNGSA-N 0 0 257.305 1.579 20 10 CDCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCNC1=O ZINC000854373555 726009212 /nfs/dbraw/zinc/00/92/12/726009212.db2.gz JDFBPPSMSZKCBW-CYBMUJFWSA-N 0 0 290.363 1.657 20 10 CDCDRN C[C@H]([NH2+]CC(C)(C)C(N)=O)c1c([O-])cccc1F ZINC000886559718 726010016 /nfs/dbraw/zinc/01/00/16/726010016.db2.gz CAGZNFXQXHRBMV-QMMMGPOBSA-N 0 0 254.305 1.693 20 10 CDCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ncccn1 ZINC000888690615 726011307 /nfs/dbraw/zinc/01/13/07/726011307.db2.gz JGBSSFWOALCWQF-UHFFFAOYSA-N 0 0 299.334 1.974 20 10 CDCDRN COCCC1(C(=O)NCCc2ccc(O)c(O)c2)CCC1 ZINC000122779839 726011626 /nfs/dbraw/zinc/01/16/26/726011626.db2.gz AKOLLXFAANRLDY-UHFFFAOYSA-N 0 0 293.363 1.963 20 10 CDCDRN Cc1nn(C)cc1C(=O)N[C@H](C)c1ccccc1O ZINC000827937463 726011892 /nfs/dbraw/zinc/01/18/92/726011892.db2.gz XROMMMKTGDIIOP-SECBINFHSA-N 0 0 259.309 1.925 20 10 CDCDRN CO[C@@H]1C[C@H](NC(=O)c2ccc(C)c(O)c2O)C1(C)C ZINC000780963332 726012977 /nfs/dbraw/zinc/01/29/77/726012977.db2.gz AIXRBLJPRZOAPC-WDEREUQCSA-N 0 0 279.336 1.950 20 10 CDCDRN CCn1cc(CN[C@@H](C)c2c(O)cccc2F)nn1 ZINC000886637880 726013547 /nfs/dbraw/zinc/01/35/47/726013547.db2.gz HDJIUJVZCPTSHV-VIFPVBQESA-N 0 0 264.304 1.994 20 10 CDCDRN CO[C@@H](C)CNC(=O)NCc1cc(C)ccc1O ZINC000858611650 726018972 /nfs/dbraw/zinc/01/89/72/726018972.db2.gz MNRUFVUXTZRJCY-JTQLQIEISA-N 0 0 252.314 1.535 20 10 CDCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H](CO)CC2CC2)c1 ZINC000850386153 726019175 /nfs/dbraw/zinc/01/91/75/726019175.db2.gz GMXDILDHNBXVGI-NSHDSACASA-N 0 0 280.324 1.799 20 10 CDCDRN Nc1ccc(CCNC(=O)N[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000841861652 726019483 /nfs/dbraw/zinc/01/94/83/726019483.db2.gz LDVIRKREZPFTCV-CQSZACIVSA-N 0 0 299.378 1.911 20 10 CDCDRN O=C(NCc1cnn2ccccc12)c1cccc(O)c1O ZINC000804445027 726019617 /nfs/dbraw/zinc/01/96/17/726019617.db2.gz DWLIVICOCRDZEK-UHFFFAOYSA-N 0 0 283.287 1.676 20 10 CDCDRN Cc1ccc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)c(O)c1 ZINC000876652572 726019667 /nfs/dbraw/zinc/01/96/67/726019667.db2.gz PYNGGXNCEIUKNV-KBPBESRZSA-N 0 0 274.364 1.944 20 10 CDCDRN O=C(NCCc1ccccn1)c1c(F)ccc(O)c1O ZINC000789941836 726020098 /nfs/dbraw/zinc/02/00/98/726020098.db2.gz MHYKOIOTSYFSAO-UHFFFAOYSA-N 0 0 276.267 1.604 20 10 CDCDRN O=C(c1c(F)ccc(O)c1O)N1CCC[C@H](CCO)CC1 ZINC000817770852 726032660 /nfs/dbraw/zinc/03/26/60/726032660.db2.gz MRGSTAAQEXMMJH-JTQLQIEISA-N 0 0 297.326 1.862 20 10 CDCDRN CC(C)(C)n1cc(C(=O)NCc2ccccc2O)nn1 ZINC000790793513 726045141 /nfs/dbraw/zinc/04/51/41/726045141.db2.gz DBKKGCDHJDQCDY-UHFFFAOYSA-N 0 0 274.324 1.669 20 10 CDCDRN O=C(C[NH2+]Cc1cc(F)cc(F)c1[O-])NC1CCCC1 ZINC000882992855 726051171 /nfs/dbraw/zinc/05/11/71/726051171.db2.gz UIRCVGHREUHUGF-UHFFFAOYSA-N 0 0 284.306 1.819 20 10 CDCDRN CN(C[C@H]1CCCOC1)C(=O)c1c(F)ccc(O)c1O 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NC(=O)Cc1ccc(NC(=O)c2cccc(O)c2O)cc1 ZINC000192983491 727380698 /nfs/dbraw/zinc/38/06/98/727380698.db2.gz FRVWFQFCJBAXPN-UHFFFAOYSA-N 0 0 286.287 1.378 20 10 CDCDRN CCc1cccc(CNCc2cc(C(N)=O)no2)c1O ZINC000848903082 727390880 /nfs/dbraw/zinc/39/08/80/727390880.db2.gz XWLNFTRAIRTLHL-UHFFFAOYSA-N 0 0 275.308 1.331 20 10 CDCDRN CC[C@H](CCO)CNC(=O)NCCc1ccc(N)cc1 ZINC000841957855 727391086 /nfs/dbraw/zinc/39/10/86/727391086.db2.gz MMHOKFPMKFPEEG-GFCCVEGCSA-N 0 0 279.384 1.519 20 10 CDCDRN C[C@@H](O)C1(NC(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000856129055 727391120 /nfs/dbraw/zinc/39/11/20/727391120.db2.gz PPWDUSIQGZDAJP-AZVKUDOFSA-N 0 0 263.293 1.141 20 10 CDCDRN C[C@@H](NC(=O)NC[C@@H]1COC(C)(C)O1)c1ccccc1O ZINC000875481460 727391272 /nfs/dbraw/zinc/39/12/72/727391272.db2.gz WZUUCCPCNWQOIA-GHMZBOCLSA-N 0 0 294.351 1.904 20 10 CDCDRN CC[C@@]1(C(=O)NCc2ccc(N(C)C)cc2)CCNC1=O ZINC000864573318 727393874 /nfs/dbraw/zinc/39/38/74/727393874.db2.gz JYAUTRFETGXPHN-MRXNPFEDSA-N 0 0 289.379 1.285 20 10 CDCDRN COC(=O)CCCC(=O)NCc1ccc(OC)cc1O ZINC000796350454 727405099 /nfs/dbraw/zinc/40/50/99/727405099.db2.gz MZDYRIYFOPTKDF-UHFFFAOYSA-N 0 0 281.308 1.360 20 10 CDCDRN C[C@@H](O)CCCOC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000795562323 727407599 /nfs/dbraw/zinc/40/75/99/727407599.db2.gz SLFRHJJTHBZWJO-ONRRBMGISA-N 0 0 266.293 1.815 20 10 CDCDRN CN(C)c1ccc(CNC(=O)N2C[C@@H]3C[C@]3(O)C2)cc1F ZINC000883241160 727420977 /nfs/dbraw/zinc/42/09/77/727420977.db2.gz OCQXQVSRNJZVKF-NHYWBVRUSA-N 0 0 293.342 1.168 20 10 CDCDRN CCNC(=O)CCc1nc(Cc2ccc(N)cc2)no1 ZINC000843158362 727423039 /nfs/dbraw/zinc/42/30/39/727423039.db2.gz BZRJIPOSRBRZPX-UHFFFAOYSA-N 0 0 274.324 1.311 20 10 CDCDRN CC(C)(C)N1C[C@H](NC(=O)c2cccc(O)c2O)CC1=O ZINC000193118984 727434441 /nfs/dbraw/zinc/43/44/41/727434441.db2.gz GIRFTRIBQSHLEQ-SECBINFHSA-N 0 0 292.335 1.227 20 10 CDCDRN C[C@@H](O)CN(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776250570 727435326 /nfs/dbraw/zinc/43/53/26/727435326.db2.gz VUIRJDWYJISJRY-VXGBXAGGSA-N 0 0 279.384 1.836 20 10 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CCN(C[C@H](C)OC)C(=O)NCCc1ccc(N)cc1 ZINC000841955477 727820132 /nfs/dbraw/zinc/82/01/32/727820132.db2.gz DIJFWAXSDGLZTD-LBPRGKRZSA-N 0 0 279.384 1.878 20 10 CDCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCSC1 ZINC000813489805 727821904 /nfs/dbraw/zinc/82/19/04/727821904.db2.gz DAOGVSYSUGZFME-JTQLQIEISA-N 0 0 267.350 1.857 20 10 CDCDRN CCNC(=O)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000780858536 727856442 /nfs/dbraw/zinc/85/64/42/727856442.db2.gz KYCABIDJHNUOIW-UHFFFAOYSA-N 0 0 277.368 1.237 20 10 CDCDRN CC[C@H](NC(C)=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000865051287 727871894 /nfs/dbraw/zinc/87/18/94/727871894.db2.gz IVIDRNMPSNHPKJ-ZDUSSCGKSA-N 0 0 295.358 1.423 20 10 CDCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](CC)CO ZINC000935945094 727908371 /nfs/dbraw/zinc/90/83/71/727908371.db2.gz KLTQETYVKPTMSJ-JTQLQIEISA-N 0 0 272.341 1.513 20 10 CDCDRN COc1ccc(CNC(=O)NCCC(C)(C)O)c(O)c1 ZINC000793068497 727941029 /nfs/dbraw/zinc/94/10/29/727941029.db2.gz ZTVDZGCBNLWWLD-UHFFFAOYSA-N 0 0 282.340 1.361 20 10 CDCDRN 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COCC[C@](C)(O)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886528869 728289886 /nfs/dbraw/zinc/28/98/86/728289886.db2.gz SLXHPMCDXCZZGF-YGRLFVJLSA-N 0 0 271.332 1.969 20 10 CDCDRN O=C(NCCCSc1nccs1)N[C@H]1CCOC1 ZINC000179081237 728293560 /nfs/dbraw/zinc/29/35/60/728293560.db2.gz RUQJGDLCYAKNCX-VIFPVBQESA-N 0 0 287.410 1.713 20 10 CDCDRN O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cccc(O)c1O ZINC000790667419 728297229 /nfs/dbraw/zinc/29/72/29/728297229.db2.gz AEPYKXNHMNKAQI-LLVKDONJSA-N 0 0 276.336 1.312 20 10 CDCDRN O=C(NN1CCc2ccccc2C1=O)C1=CC(=O)CS1 ZINC000780718314 728318203 /nfs/dbraw/zinc/31/82/03/728318203.db2.gz WQWVFQDYAQZQLJ-UHFFFAOYSA-N 0 0 288.328 1.797 20 10 CDCDRN CN(C(=O)NCCc1ccc(N)cc1)[C@H]1CCSC1 ZINC000841958678 728321011 /nfs/dbraw/zinc/32/10/11/728321011.db2.gz HLDQBVKQWLQQMW-ZDUSSCGKSA-N 0 0 279.409 1.958 20 10 CDCDRN Cc1ccc(C[NH2+]CCN2CCOC[C@H]2C)c(O)c1 ZINC000877150242 728328097 /nfs/dbraw/zinc/32/80/97/728328097.db2.gz MVBVGBPWWLZQQH-CYBMUJFWSA-N 0 0 264.369 1.511 20 10 CDCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnco1 ZINC000935949346 728338792 /nfs/dbraw/zinc/33/87/92/728338792.db2.gz YSXCOSHXYGOKLZ-UHFFFAOYSA-N 0 0 267.281 1.796 20 10 CDCDRN O=C([O-])[C@H](CC1CC1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000871882985 728339569 /nfs/dbraw/zinc/33/95/69/728339569.db2.gz ZFOTVIPQBNAQDO-ZDUSSCGKSA-N 0 0 261.321 1.964 20 10 CDCDRN COc1ccc(CNC(=O)N[C@@H]2CCC[C@H]2OC)c(O)c1 ZINC000836605886 728341378 /nfs/dbraw/zinc/34/13/78/728341378.db2.gz BBICMUABTORBHE-TZMCWYRMSA-N 0 0 294.351 1.768 20 10 CDCDRN O=C(C1=CC(=O)CS1)N1CCOC[C@H]1[C@@H]1CCCO1 ZINC000807688447 728358375 /nfs/dbraw/zinc/35/83/75/728358375.db2.gz KMSVYBNLVVLGTK-QWRGUYRKSA-N 0 0 283.349 1.474 20 10 CDCDRN Cc1noc(CN(C)C(=O)c2ccc(C)c(O)c2O)n1 ZINC000848353858 728364944 /nfs/dbraw/zinc/36/49/44/728364944.db2.gz WPPAAKVEKQHISA-UHFFFAOYSA-N 0 0 277.280 1.370 20 10 CDCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(N)=O ZINC000873861351 728365247 /nfs/dbraw/zinc/36/52/47/728365247.db2.gz CQXKJTTZUFCZBR-UHFFFAOYSA-N 0 0 275.352 1.121 20 10 CDCDRN C[C@@H]([NH2+]CCCn1cncn1)c1cc(C(=O)[O-])ccc1O ZINC001609776394 1165076109 /nfs/dbraw/zinc/07/61/09/1165076109.db2.gz APMZSMMOOUAULO-SNVBAGLBSA-N 0 0 290.323 1.423 20 10 CDCDRN COCCOCCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000063264104 912443722 /nfs/dbraw/zinc/44/37/22/912443722.db2.gz PPQAPIBZYGGBPM-UHFFFAOYSA-N 0 0 294.395 1.764 20 10 CDCDRN C=CC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001346091560 894621316 /nfs/dbraw/zinc/62/13/16/894621316.db2.gz XPBOEHIPBSXZIE-GFCCVEGCSA-N 0 0 260.337 1.824 20 10 CDCDRN CCN(C)S(=O)(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000161189712 913893790 /nfs/dbraw/zinc/89/37/90/913893790.db2.gz HKHNEUSPPTYEGZ-VIFPVBQESA-N 0 0 288.369 1.248 20 10 CDCDRN CNC(=O)N1CC[NH+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140184534 895213934 /nfs/dbraw/zinc/21/39/34/895213934.db2.gz YKCZVEKBQUXSIO-UHFFFAOYSA-N 0 0 277.368 1.466 20 10 CDCDRN Cc1cc(O)ccc1NS(=O)(=O)C1CCC(=O)CC1 ZINC000708220657 897234253 /nfs/dbraw/zinc/23/42/53/897234253.db2.gz GXNAYYLHHIVUSK-UHFFFAOYSA-N 0 0 283.349 1.954 20 10 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Cc1cccc(O)c1CN1C[C@@H](C)S(=O)(=O)[C@H](C)C1 ZINC000877541172 730563281 /nfs/dbraw/zinc/56/32/81/730563281.db2.gz CUHBPQFKERBXAS-VXGBXAGGSA-N 0 0 283.393 1.708 20 10 CDCDRN COc1ccc(O)c(CNC(=O)C2(OC)CCC2)c1 ZINC000782012458 730576071 /nfs/dbraw/zinc/57/60/71/730576071.db2.gz DQVOCJZRTMUZNL-UHFFFAOYSA-N 0 0 265.309 1.586 20 10 CDCDRN O=C(NC1(c2ncon2)CCOCC1)C1=CC(=O)CS1 ZINC000832017922 730590289 /nfs/dbraw/zinc/59/02/89/730590289.db2.gz UVUBQHZTYXFXPO-UHFFFAOYSA-N 0 0 295.320 1.272 20 10 CDCDRN COc1ccc([C@H]2NC3(CCOCC3)C(=O)N2C)c(O)c1 ZINC000887335412 730686054 /nfs/dbraw/zinc/68/60/54/730686054.db2.gz DIOQHXHEFUJEOC-ZDUSSCGKSA-N 0 0 292.335 1.010 20 10 CDCDRN CN1c2ccccc2C(=O)N[C@H]1c1cc2c(cc1O)OCO2 ZINC000121384940 730687810 /nfs/dbraw/zinc/68/78/10/730687810.db2.gz BREPZMLUKUYDJR-OAHLLOKOSA-N 0 0 298.298 1.999 20 10 CDCDRN COc1ccc(CNC(=O)NC[C@H]2CCCCO2)c(O)c1 ZINC000792919032 730694933 /nfs/dbraw/zinc/69/49/33/730694933.db2.gz ZYJZOPJLMNKDCI-CYBMUJFWSA-N 0 0 294.351 1.769 20 10 CDCDRN Nc1ccc(CC(=O)N2CCOC[C@@H]2C2CC2)cc1 ZINC000831469652 730695761 /nfs/dbraw/zinc/69/57/61/730695761.db2.gz APRNGIWTYQWUHA-CQSZACIVSA-N 0 0 260.337 1.449 20 10 CDCDRN C[C@@H]1C[C@@H](NC(=O)C2=CC(=O)CS2)CCS1(=O)=O ZINC000887174105 730706501 /nfs/dbraw/zinc/70/65/01/730706501.db2.gz IECBIWIJZYYDLG-SFYZADRCSA-N 0 0 289.378 1.149 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CCc2cncn2C1 ZINC000816889316 730719744 /nfs/dbraw/zinc/71/97/44/730719744.db2.gz UFJVAAXAYIHUFY-CYBMUJFWSA-N 0 0 285.347 1.810 20 10 CDCDRN C[C@@H]1OCC[C@]12CN(C(=O)C1=CC(=O)CS1)CCO2 ZINC000792674441 730732732 /nfs/dbraw/zinc/73/27/32/730732732.db2.gz QIUDXXVFLZXXSQ-ZANVPECISA-N 0 0 283.349 1.474 20 10 CDCDRN COCC(COC)n1cc(COc2ccc(N)cc2)nn1 ZINC000864630387 730756598 /nfs/dbraw/zinc/75/65/98/730756598.db2.gz MAALCISTEPKHQD-UHFFFAOYSA-N 0 0 292.339 1.273 20 10 CDCDRN COc1c([O-])c(C[NH2+]CCC[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000789759065 730760793 /nfs/dbraw/zinc/76/07/93/730760793.db2.gz YGMDWEVQRDQNIN-SECBINFHSA-N 0 0 284.312 1.560 20 10 CDCDRN C[C@@H](Cc1c[nH]cn1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000847589411 730847940 /nfs/dbraw/zinc/84/79/40/730847940.db2.gz JBOZUVVZRJAJNV-JTQLQIEISA-N 0 0 289.335 1.358 20 10 CDCDRN CNC(=O)CN(C)Cc1cc(Cl)cc(OC)c1O ZINC000229119937 730853266 /nfs/dbraw/zinc/85/32/66/730853266.db2.gz SNXMJRUGTVMQKR-UHFFFAOYSA-N 0 0 272.732 1.232 20 10 CDCDRN CCCCNC(=O)NC(=O)CN(C)c1ccc(OC)cc1 ZINC000844353755 730872656 /nfs/dbraw/zinc/87/26/56/730872656.db2.gz ZBYRRWUMCTZWNT-UHFFFAOYSA-N 0 0 293.367 1.757 20 10 CDCDRN COC(=O)[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000131694045 730903313 /nfs/dbraw/zinc/90/33/13/730903313.db2.gz CWHLUISAFXKJOE-AWEZNQCLSA-N 0 0 296.342 1.266 20 10 CDCDRN Nc1ccc(OCc2cn([C@@H]3CCC[C@@H]3O)nn2)cc1 ZINC000864621572 730909277 /nfs/dbraw/zinc/90/92/77/730909277.db2.gz PVNWUMGXGAGFOY-KGLIPLIRSA-N 0 0 274.324 1.525 20 10 CDCDRN COc1cccc(CNC(=O)COC(F)(F)F)c1O ZINC000934939932 730923338 /nfs/dbraw/zinc/92/33/38/730923338.db2.gz DZSWNNOBNCACKN-UHFFFAOYSA-N 0 0 279.214 1.553 20 10 CDCDRN COc1c([O-])c(C[NH2+][C@H](CO)C2CC2)ccc1[N+](=O)[O-] ZINC000775026973 730927793 /nfs/dbraw/zinc/92/77/93/730927793.db2.gz CSEXBJIVFMFTTB-SNVBAGLBSA-N 0 0 282.296 1.170 20 10 CDCDRN CCN(CCS(C)(=O)=O)Cc1cc(C)c(C)cc1O ZINC000156944289 730935120 /nfs/dbraw/zinc/93/51/20/730935120.db2.gz ULDHYOKCQXHBGM-UHFFFAOYSA-N 0 0 285.409 1.876 20 10 CDCDRN COC[C@@H]1CCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841957690 730939827 /nfs/dbraw/zinc/93/98/27/730939827.db2.gz LBYDOOPGXBLGBC-AWEZNQCLSA-N 0 0 277.368 1.632 20 10 CDCDRN CCN1C[C@H](C(=O)NCc2cc(C)ccc2O)CC1=O ZINC000862759912 730960467 /nfs/dbraw/zinc/96/04/67/730960467.db2.gz MUDLTKILXGHRJT-GFCCVEGCSA-N 0 0 276.336 1.185 20 10 CDCDRN Cn1cnc(/C=C/C(=O)N2CCCn3nccc32)c1 ZINC000931494787 730965541 /nfs/dbraw/zinc/96/55/41/730965541.db2.gz RSFTVCGERWTMSG-ONEGZZNKSA-N 0 0 257.297 1.067 20 10 CDCDRN CN1CCN(Cc2cccc(Cl)c2[O-])[C@@H](C[NH3+])C1 ZINC000843122411 730966438 /nfs/dbraw/zinc/96/64/38/730966438.db2.gz SCZXAXBNRDVCKJ-NSHDSACASA-N 0 0 269.776 1.120 20 10 CDCDRN COc1ccc(CNC(=O)NCCc2cn[nH]c2)c(O)c1 ZINC000811932555 730997640 /nfs/dbraw/zinc/99/76/40/730997640.db2.gz YFXUFZKPFUHEKA-UHFFFAOYSA-N 0 0 290.323 1.166 20 10 CDCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCCc1ncc[nH]1 ZINC000779514849 731000074 /nfs/dbraw/zinc/00/00/74/731000074.db2.gz OIJFJUWEAHCICH-DUXPYHPUSA-N 0 0 273.292 1.193 20 10 CDCDRN CNC(=O)C[C@H](C)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000834898619 731012867 /nfs/dbraw/zinc/01/28/67/731012867.db2.gz ABICIMYAIKHBJW-UWVGGRQHSA-N 0 0 294.351 1.354 20 10 CDCDRN CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708435064 731027728 /nfs/dbraw/zinc/02/77/28/731027728.db2.gz AUJUECXJHQQPSH-QWRGUYRKSA-N 0 0 257.280 1.919 20 10 CDCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H]1CCC=CO1 ZINC000781487896 731038663 /nfs/dbraw/zinc/03/86/63/731038663.db2.gz OYMJFGLMGUEARS-SMYYYNMVSA-N 0 0 275.304 1.920 20 10 CDCDRN COc1ccc(O)c(CNC(=O)[C@@H]2CCCO2)c1 ZINC000078726243 731076544 /nfs/dbraw/zinc/07/65/44/731076544.db2.gz UEMUUTZMFMRDSA-LBPRGKRZSA-N 0 0 251.282 1.196 20 10 CDCDRN COC(=O)[C@@H](CC(F)F)NCc1ccc2c(c1)CCO2 ZINC000789578592 731085614 /nfs/dbraw/zinc/08/56/14/731085614.db2.gz CINFFIVNFKUJMH-LLVKDONJSA-N 0 0 285.290 1.908 20 10 CDCDRN Cn1nnc2c1CC[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])C2 ZINC000848926725 731087001 /nfs/dbraw/zinc/08/70/01/731087001.db2.gz XFKLBUHUNVIOPZ-SNVBAGLBSA-N 0 0 292.770 1.821 20 10 CDCDRN CC[C@@](C)(O)C(=O)NCc1cccc(OC)c1O ZINC000934939662 731099777 /nfs/dbraw/zinc/09/97/77/731099777.db2.gz BLMZZUHOVYPJGP-CYBMUJFWSA-N 0 0 253.298 1.178 20 10 CDCDRN Nc1ccc(Cc2nc(-c3n[nH]c(C4CC4)n3)no2)cc1 ZINC000843238885 731153560 /nfs/dbraw/zinc/15/35/60/731153560.db2.gz VNBVSLOJOGJTTG-UHFFFAOYSA-N 0 0 282.307 1.905 20 10 CDCDRN Cc1cc(O)ccc1NS(=O)(=O)N1CCCC1 ZINC000080357964 731162885 /nfs/dbraw/zinc/16/28/85/731162885.db2.gz CAUIDGCKDPIMGM-UHFFFAOYSA-N 0 0 256.327 1.453 20 10 CDCDRN CCn1ncnc1CNCc1cccc(OC)c1O ZINC000793345617 731166221 /nfs/dbraw/zinc/16/62/21/731166221.db2.gz FYNZDZOJGJLGCX-UHFFFAOYSA-N 0 0 262.313 1.302 20 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C[C@@H](O)CCc1cn(Cc2ccc(N(C)C)cc2)nn1 ZINC000881271093 731304960 /nfs/dbraw/zinc/30/49/60/731304960.db2.gz GUJUCJDQIYWUSM-GFCCVEGCSA-N 0 0 274.368 1.706 20 10 CDCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1ccc2nccnc2n1 ZINC000782040431 731329915 /nfs/dbraw/zinc/32/99/15/731329915.db2.gz AGYKDEWQWFJBRK-JTQLQIEISA-N 0 0 296.330 1.853 20 10 CDCDRN CCNC(=O)CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775412003 731339697 /nfs/dbraw/zinc/33/96/97/731339697.db2.gz TYAAVZLRHYXBOA-NSHDSACASA-N 0 0 277.368 1.456 20 10 CDCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@@H](C)OC)C2)cc1 ZINC000819584005 731374515 /nfs/dbraw/zinc/37/45/15/731374515.db2.gz YHOXYHYMMXBICH-CHWSQXEVSA-N 0 0 292.379 1.673 20 10 CDCDRN C[C@](O)(CNC(=O)Cc1ccc(N)cc1)c1ccsc1 ZINC000846689878 731386692 /nfs/dbraw/zinc/38/66/92/731386692.db2.gz YNXXGQRPRQYELU-HNNXBMFYSA-N 0 0 290.388 1.897 20 10 CDCDRN O=C(Cc1[nH]nc2c1CCCC2)NCc1ccccc1O ZINC000777274803 731388855 /nfs/dbraw/zinc/38/88/55/731388855.db2.gz MKMJNIGOUGPTOU-UHFFFAOYSA-N 0 0 285.347 1.853 20 10 CDCDRN COCc1cc(C(=O)NCc2ccccc2O)no1 ZINC000135359071 731418216 /nfs/dbraw/zinc/41/82/16/731418216.db2.gz WGUVTOXKZZSEEB-UHFFFAOYSA-N 0 0 262.265 1.457 20 10 CDCDRN O=C1[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C[C@H]2CCCCN12 ZINC000883140065 731433830 /nfs/dbraw/zinc/43/38/30/731433830.db2.gz IGVCBURYFLIZLV-DGCLKSJQSA-N 0 0 296.317 1.913 20 10 CDCDRN C[C@@H](NC(=O)C1=CC(=O)CS1)c1nnnn1C1CC1 ZINC000792521950 731445108 /nfs/dbraw/zinc/44/51/08/731445108.db2.gz UIPSROITQAYMTI-ZCFIWIBFSA-N 0 0 279.325 1.266 20 10 CDCDRN CC1(C)OCC([NH2+]Cc2cc(F)cc(F)c2[O-])CO1 ZINC000883088106 731459188 /nfs/dbraw/zinc/45/91/88/731459188.db2.gz UFCONSXXEYQKQN-UHFFFAOYSA-N 0 0 273.279 1.912 20 10 CDCDRN CCOC(=O)c1cnc(Sc2nnc(C)n2N)s1 ZINC000809345894 731492905 /nfs/dbraw/zinc/49/29/05/731492905.db2.gz XSHMHNIBUGFMFO-UHFFFAOYSA-N 0 0 285.354 1.085 20 10 CDCDRN C[C@@H]1CCC[C@@H](NC=C2C(=O)N(C)C(=O)N(C)C2=O)[C@@H]1C ZINC000072680400 731497514 /nfs/dbraw/zinc/49/75/14/731497514.db2.gz WMPBCYWNZXZHEZ-CKYFFXLPSA-N 0 0 293.367 1.335 20 10 CDCDRN C[C@@]1(C(N)=O)CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000793389446 731497926 /nfs/dbraw/zinc/49/79/26/731497926.db2.gz HYYIJUDNHSXOBJ-CYBMUJFWSA-N 0 0 286.734 1.882 20 10 CDCDRN CN(C)c1cc(F)c(CN(CCO)CCCO)cc1F ZINC000862242458 731514907 /nfs/dbraw/zinc/51/49/07/731514907.db2.gz GLVUQDUPLXHURA-UHFFFAOYSA-N 0 0 288.338 1.208 20 10 CDCDRN COc1ccc(N(CCN2CCNC2=O)CC2CC2)cc1 ZINC000831587895 731561830 /nfs/dbraw/zinc/56/18/30/731561830.db2.gz OITUGENTVZNXFX-UHFFFAOYSA-N 0 0 289.379 1.937 20 10 CDCDRN CCCN(CC1CC1)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841012050 731702934 /nfs/dbraw/zinc/70/29/34/731702934.db2.gz XKKRXLWDSCKBQM-UHFFFAOYSA-N 0 0 275.352 1.856 20 10 CDCDRN CCn1ccc(C(=O)NCc2cc(OC)ccc2O)n1 ZINC000843831249 731731229 /nfs/dbraw/zinc/73/12/29/731731229.db2.gz NZOVJUQAVSHDLN-UHFFFAOYSA-N 0 0 275.308 1.547 20 10 CDCDRN C[C@H](OCC1CC1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000122259978 731745347 /nfs/dbraw/zinc/74/53/47/731745347.db2.gz IJQACYLVSMAIKF-JTQLQIEISA-N 0 0 279.336 1.572 20 10 CDCDRN Cn1cnc(/C=C/C(=O)N2CCN(C)Cc3ccccc32)c1 ZINC000931951825 731766327 /nfs/dbraw/zinc/76/63/27/731766327.db2.gz UPARIFASFNXLCK-BQYQJAHWSA-N 0 0 296.374 1.912 20 10 CDCDRN COCCCNC(=O)CN(C)c1ccc(OC)c(OC)c1 ZINC000064517718 731801001 /nfs/dbraw/zinc/80/10/01/731801001.db2.gz KESOXAWBZMYAPH-UHFFFAOYSA-N 0 0 296.367 1.293 20 10 CDCDRN Oc1cccc(Cl)c1CN1CCC2(C1)OCCO2 ZINC000131019098 731860919 /nfs/dbraw/zinc/86/09/19/731860919.db2.gz VYHWSACGAPAUJE-UHFFFAOYSA-N 0 0 269.728 1.994 20 10 CDCDRN CC[C@H]1C(=O)N(CC)CCN1Cc1cccc(OC)c1O ZINC000779214607 731861892 /nfs/dbraw/zinc/86/18/92/731861892.db2.gz CCKBRKZJEVEJDQ-ZDUSSCGKSA-N 0 0 292.379 1.844 20 10 CDCDRN CC(=O)C(=O)COC(=O)c1c(C)noc1C(C)C ZINC000808491680 731886403 /nfs/dbraw/zinc/88/64/03/731886403.db2.gz MOHWRXCQQCUPKW-UHFFFAOYSA-N 0 0 253.254 1.421 20 10 CDCDRN CSC1(C(=O)NCc2ccc(O)c(O)c2)CC1 ZINC000190726003 731896518 /nfs/dbraw/zinc/89/65/18/731896518.db2.gz XUNVVCGFKLWVNK-UHFFFAOYSA-N 0 0 253.323 1.610 20 10 CDCDRN O=C(NCCCCn1ccnc1)c1cccc(O)c1O ZINC000126363612 731902273 /nfs/dbraw/zinc/90/22/73/731902273.db2.gz LXWSZKPESQWDND-UHFFFAOYSA-N 0 0 275.308 1.505 20 10 CDCDRN CC(=O)NC(C)(C)C(=O)N[C@H](C)c1ccccc1O ZINC000827930395 731924783 /nfs/dbraw/zinc/92/47/83/731924783.db2.gz JEEKWFKZULLDDH-SECBINFHSA-N 0 0 264.325 1.484 20 10 CDCDRN CN(CCOCC1CC1)C(=O)NCCc1ccc(N)cc1 ZINC000841957847 731982802 /nfs/dbraw/zinc/98/28/02/731982802.db2.gz MIEJXCXCQLUINR-UHFFFAOYSA-N 0 0 291.395 1.879 20 10 CDCDRN CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)CS1 ZINC000863813748 732081290 /nfs/dbraw/zinc/08/12/90/732081290.db2.gz QAPHYAKWTVFGDM-JTQLQIEISA-N 0 0 282.365 1.585 20 10 CDCDRN COc1c(O)c(CN2CCOCC23CC3)ccc1[N+](=O)[O-] ZINC000802658490 732088961 /nfs/dbraw/zinc/08/89/61/732088961.db2.gz FLONKZWKYGBBPB-UHFFFAOYSA-N 0 0 294.307 1.674 20 10 CDCDRN C[C@H]([NH2+]CCO)c1cc(Br)c(F)cc1[O-] ZINC000134910898 732090166 /nfs/dbraw/zinc/09/01/66/732090166.db2.gz OZJIMROMSYFFRQ-LURJTMIESA-N 0 0 278.121 1.937 20 10 CDCDRN Cc1cc(O)c(CN2CCN3C(=O)NC[C@H]3C2)cc1Cl ZINC000824920347 732116260 /nfs/dbraw/zinc/11/62/60/732116260.db2.gz KUAKTZGJCGRWQP-NSHDSACASA-N 0 0 295.770 1.563 20 10 CDCDRN CN(C)c1ccc(CNCc2nnn(C(C)(C)C)n2)cc1 ZINC000848566208 732154585 /nfs/dbraw/zinc/15/45/85/732154585.db2.gz ZBBRESRHFHJZMP-UHFFFAOYSA-N 0 0 288.399 1.784 20 10 CDCDRN Nc1ccc(-n2cc(CN3CCCCC3)nn2)cc1 ZINC000849134792 732184916 /nfs/dbraw/zinc/18/49/16/732184916.db2.gz PMAHVZMPLVEUNP-UHFFFAOYSA-N 0 0 257.341 1.835 20 10 CDCDRN O=C1CN(Cc2ccccc2O)C(=O)N1C[C@H]1CCOC1 ZINC000819164540 732192150 /nfs/dbraw/zinc/19/21/50/732192150.db2.gz JREYCFXSSJALDE-LLVKDONJSA-N 0 0 290.319 1.193 20 10 CDCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)N[C@@H](C)C(F)F ZINC000881281281 732235174 /nfs/dbraw/zinc/23/51/74/732235174.db2.gz XLDPUVLAZQFJLF-YUMQZZPRSA-N 0 0 288.294 1.982 20 10 CDCDRN [NH3+]C[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000843065329 732260561 /nfs/dbraw/zinc/26/05/61/732260561.db2.gz KSVCKBJETMDVAD-SNVBAGLBSA-N 0 0 274.723 1.344 20 10 CDCDRN CC(C)[C@@H](C(=O)N(C)c1ccc(N)cc1)N1CCCC1=O ZINC000877078205 732280614 /nfs/dbraw/zinc/28/06/14/732280614.db2.gz IAMVSWGDDXKCHH-HNNXBMFYSA-N 0 0 289.379 1.879 20 10 CDCDRN CC1=NO[C@H](C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)C1 ZINC000831924016 732299902 /nfs/dbraw/zinc/29/99/02/732299902.db2.gz BIAXONQEGPHUMB-SDBXPKJASA-N 0 0 278.308 1.310 20 10 CDCDRN COc1ccc(O)c(CN[C@H](C)c2nnc(C)[nH]2)c1 ZINC000392362336 732353770 /nfs/dbraw/zinc/35/37/70/732353770.db2.gz CPPSJSJKROAHMD-MRVPVSSYSA-N 0 0 262.313 1.678 20 10 CDCDRN CO[C@@H](CS(=O)(=O)Nc1ccc(O)cc1F)C(C)C ZINC000842589205 732355310 /nfs/dbraw/zinc/35/53/10/732355310.db2.gz SPCVGPVEDVITFJ-LBPRGKRZSA-N 0 0 291.344 1.944 20 10 CDCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCC1(CO)CC1 ZINC000708503067 732377112 /nfs/dbraw/zinc/37/71/12/732377112.db2.gz NMJOQAHIKUVCFA-UHFFFAOYSA-N 0 0 257.280 1.923 20 10 CDCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ncn(C)n2)c1 ZINC000836663034 732442355 /nfs/dbraw/zinc/44/23/55/732442355.db2.gz DOUIPBPCHGEMNX-MRVPVSSYSA-N 0 0 291.311 1.412 20 10 CDCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)C2CC2)c1 ZINC000161156464 732480756 /nfs/dbraw/zinc/48/07/56/732480756.db2.gz QLBVYYGIMHEGAL-QMMMGPOBSA-N 0 0 271.338 1.544 20 10 CDCDRN CN(C(=O)CCCNC(=O)C1CC1)c1ccc(N)cc1 ZINC000877080106 732503935 /nfs/dbraw/zinc/50/39/35/732503935.db2.gz GTDOHGBDZSLFLY-UHFFFAOYSA-N 0 0 275.352 1.538 20 10 CDCDRN C[C@H](NC(=O)[C@@H]1CC[C@H]1C(N)=O)c1ccc(N(C)C)cc1 ZINC000847760399 732504686 /nfs/dbraw/zinc/50/46/86/732504686.db2.gz JQXPDYUFVJDTOU-ZLKJLUDKSA-N 0 0 289.379 1.441 20 10 CDCDRN C[C@@H]1CCC[C@@]1(O)CNC(=O)Nc1ccc(N)cc1 ZINC000841300692 732506996 /nfs/dbraw/zinc/50/69/96/732506996.db2.gz ZZXZHZOMILHRQQ-QMTHXVAHSA-N 0 0 263.341 1.941 20 10 CDCDRN O=C(COc1ccccc1O)NCc1ccc(O)c(O)c1 ZINC000778926920 732529153 /nfs/dbraw/zinc/52/91/53/732529153.db2.gz HHLTWAJSIFBMPO-UHFFFAOYSA-N 0 0 289.287 1.499 20 10 CDCDRN Cc1cccc(NC(=O)C(=O)N(C)Cc2ccccc2O)n1 ZINC000193046648 732564722 /nfs/dbraw/zinc/56/47/22/732564722.db2.gz ASBANVJBUNNYRQ-UHFFFAOYSA-N 0 0 299.330 1.693 20 10 CDCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)CCC(C)=O ZINC000808095849 732577219 /nfs/dbraw/zinc/57/72/19/732577219.db2.gz VTFOJYCESVOZJI-UHFFFAOYSA-N 0 0 270.325 1.863 20 10 CDCDRN O=C(C1=CC(=O)CS1)N1CCCCCNC(=O)CC1 ZINC000889431578 732592117 /nfs/dbraw/zinc/59/21/17/732592117.db2.gz KUKDNHKCHJOECC-UHFFFAOYSA-N 0 0 282.365 1.586 20 10 CDCDRN O=C(c1cccc(O)c1O)N1CCC[C@@H](CCO)CC1 ZINC000817698961 732595701 /nfs/dbraw/zinc/59/57/01/732595701.db2.gz XZGBUAFYBFHRSP-LLVKDONJSA-N 0 0 279.336 1.723 20 10 CDCDRN CCN1CC[C@@H]1C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000883355491 732617846 /nfs/dbraw/zinc/61/78/46/732617846.db2.gz RWLNUMNNXUSZRO-DGCLKSJQSA-N 0 0 292.379 1.924 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CCc2ncncc2C1 ZINC000843819996 732672663 /nfs/dbraw/zinc/67/26/63/732672663.db2.gz IJEUQKDTEFADGX-LBPRGKRZSA-N 0 0 297.358 1.946 20 10 CDCDRN O=C(NCC(F)(F)F)c1c(F)ccc(O)c1O ZINC000789955375 732707692 /nfs/dbraw/zinc/70/76/92/732707692.db2.gz XUFSFZHDRFMYGW-UHFFFAOYSA-N 0 0 253.151 1.529 20 10 CDCDRN C[C@@H](NC(=O)CN1CCSC1=O)c1ccccc1O ZINC000827923243 732722021 /nfs/dbraw/zinc/72/20/21/732722021.db2.gz MOCGVBWXIJIOLV-SECBINFHSA-N 0 0 280.349 1.738 20 10 CDCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCN1CCC1 ZINC000776253031 732737007 /nfs/dbraw/zinc/73/70/07/732737007.db2.gz KSWRJTQUPCQCLQ-UHFFFAOYSA-N 0 0 258.724 1.980 20 10 CDCDRN O=C1C[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])CN1CC1CC1 ZINC000883402247 732741427 /nfs/dbraw/zinc/74/14/27/732741427.db2.gz LZWQXSNJNTUFIG-LBPRGKRZSA-N 0 0 296.317 1.771 20 10 CDCDRN COc1ccc(N2CCN(CN3CCCC3=O)CC2)cc1 ZINC000104052281 732743179 /nfs/dbraw/zinc/74/31/79/732743179.db2.gz CRGRYNKLSOYIHT-UHFFFAOYSA-N 0 0 289.379 1.397 20 10 CDCDRN COC(=O)NC(C)(C)C(=O)NCc1cc(C)ccc1O ZINC000862759502 732746120 /nfs/dbraw/zinc/74/61/20/732746120.db2.gz DZRINXLYPXCEBV-UHFFFAOYSA-N 0 0 280.324 1.451 20 10 CDCDRN COc1ccc(CNC(=O)NOC/C=C\Cl)c(O)c1 ZINC000811981756 732763308 /nfs/dbraw/zinc/76/33/08/732763308.db2.gz HWCFEQLILDTZGJ-DJWKRKHSSA-N 0 0 286.715 1.884 20 10 CDCDRN C[C@H]([NH2+]Cc1n[nH]c(=O)[n-]1)c1ccc(N(C)C)cc1 ZINC000392466804 732789124 /nfs/dbraw/zinc/78/91/24/732789124.db2.gz SSHFWDAYRQLZHY-VIFPVBQESA-N 0 0 261.329 1.427 20 10 CDCDRN C[C@@H](CN1CCOCC1)N(C)C(=O)C1=CC(=O)CS1 ZINC000791020803 732829301 /nfs/dbraw/zinc/82/93/01/732829301.db2.gz WCUQKEIHSUGJCC-JTQLQIEISA-N 0 0 284.381 1.246 20 10 CDCDRN Cn1ncnc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000853798404 732858940 /nfs/dbraw/zinc/85/89/40/732858940.db2.gz GHBUYNZLDCXYGT-UHFFFAOYSA-N 0 0 285.351 1.345 20 10 CDCDRN COc1ccc(CNC(=O)NCc2cc(C)on2)c(O)c1 ZINC000792850179 732861179 /nfs/dbraw/zinc/86/11/79/732861179.db2.gz ZWWDEBARGFJVNQ-UHFFFAOYSA-N 0 0 291.307 1.697 20 10 CDCDRN O=C(/C=C/c1ccc(O)c(O)c1)NOC1CCOCC1 ZINC000775242888 732863223 /nfs/dbraw/zinc/86/32/23/732863223.db2.gz DQRXGJSUYDGXRO-DUXPYHPUSA-N 0 0 279.292 1.338 20 10 CDCDRN O=C(COC(=O)[C@H]1CCCO1)c1ccc(O)c(O)c1 ZINC000784366684 732894650 /nfs/dbraw/zinc/89/46/50/732894650.db2.gz KSBBCVWFHHCXFO-GFCCVEGCSA-N 0 0 266.249 1.003 20 10 CDCDRN COc1ccc(CNC(=O)c2cccc(=O)[nH]2)c(O)c1 ZINC000802626046 732966453 /nfs/dbraw/zinc/96/64/53/732966453.db2.gz WQSBILRENOVXAR-UHFFFAOYSA-N 0 0 274.276 1.431 20 10 CDCDRN Cc1ccc(C(=O)N[C@@H](CO)c2ccccc2)c(O)c1O ZINC000182965767 733025111 /nfs/dbraw/zinc/02/51/11/733025111.db2.gz KRYSRENZLLGKHP-ZDUSSCGKSA-N 0 0 287.315 1.870 20 10 CDCDRN C[C@@H](NS(=O)(=O)[C@H]1CCOC[C@@H]1C)c1ccccc1O ZINC000882503380 733034114 /nfs/dbraw/zinc/03/41/14/733034114.db2.gz ZBRGXULBTTUFJE-WDMOLILDSA-N 0 0 299.392 1.798 20 10 CDCDRN CC[C@H](C(=O)N[C@H](C)c1ccccc1O)C(=O)OC ZINC000827946902 733062931 /nfs/dbraw/zinc/06/29/31/733062931.db2.gz URXCKDNCHMJUFT-NXEZZACHSA-N 0 0 265.309 1.769 20 10 CDCDRN COc1ccc(N(C)CCN(C)Cc2nccn2C)cc1 ZINC000844399908 733093612 /nfs/dbraw/zinc/09/36/12/733093612.db2.gz SBVSLCFEUOJDDQ-UHFFFAOYSA-N 0 0 288.395 1.997 20 10 CDCDRN CCCNC(=O)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708446024 733094083 /nfs/dbraw/zinc/09/40/83/733094083.db2.gz YTQZVYLDOZIBIV-UHFFFAOYSA-N 0 0 258.268 1.286 20 10 CDCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1c[nH]cn1 ZINC000281121415 733140013 /nfs/dbraw/zinc/14/00/13/733140013.db2.gz IDLZDRGMMFLHAP-SNVBAGLBSA-N 0 0 289.335 1.501 20 10 CDCDRN COCC[C@@H](CO)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001610252855 1165274526 /nfs/dbraw/zinc/27/45/26/1165274526.db2.gz IIBNWKMUDWAFCZ-ONGXEEELSA-N 0 0 283.324 1.138 20 10 CDCDRN COCC[C@@H](CO)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001610252853 1165275380 /nfs/dbraw/zinc/27/53/80/1165275380.db2.gz IIBNWKMUDWAFCZ-KOLCDFICSA-N 0 0 283.324 1.138 20 10 CDCDRN C[C@H]([NH2+]C[C@@](C)(O)C(=O)[O-])c1ccc(N(C)C)cc1 ZINC001604331590 1167854807 /nfs/dbraw/zinc/85/48/07/1167854807.db2.gz CPJYHDMTCZPYDH-IINYFYTJSA-N 0 0 266.341 1.239 20 10 CDCDRN CCN1CCc2cc(O[C@@H]3CCS(=O)(=O)C3)ccc21 ZINC001233602532 912905902 /nfs/dbraw/zinc/90/59/02/912905902.db2.gz WOPZXPNBDJTFFN-CYBMUJFWSA-N 0 0 281.377 1.635 20 10 CDCDRN CCn1cc(N(c2ccc(N)cc2)S(C)(=O)=O)cn1 ZINC001174569987 913214974 /nfs/dbraw/zinc/21/49/74/913214974.db2.gz LRUBUGZYLKEFFP-UHFFFAOYSA-N 0 0 280.353 1.583 20 10 CDCDRN CN(c1nccs1)S(=O)(=O)CCc1ccc(N)cc1 ZINC001210993173 895519938 /nfs/dbraw/zinc/51/99/38/895519938.db2.gz RDPVDMVNIJOCEH-UHFFFAOYSA-N 0 0 297.405 1.734 20 10 CDCDRN COc1ncccc1CC(=O)NCc1ccccc1O ZINC001176266080 914036038 /nfs/dbraw/zinc/03/60/38/914036038.db2.gz RKWKGAIMRVLHRP-UHFFFAOYSA-N 0 0 272.304 1.655 20 10 CDCDRN O=C1OC[C@H]2CN(Cc3ccc(Cl)cc3O)CCN12 ZINC001140464850 896202783 /nfs/dbraw/zinc/20/27/83/896202783.db2.gz CKUUYPGAYLYIMM-LLVKDONJSA-N 0 0 282.727 1.682 20 10 CDCDRN Cc1nnc(CCC(=O)NCc2ccccc2O)s1 ZINC001176311061 914072708 /nfs/dbraw/zinc/07/27/08/914072708.db2.gz VULOFMHBQBAAJT-UHFFFAOYSA-N 0 0 277.349 1.801 20 10 CDCDRN CCn1cc(CNCc2cc(Cl)ccc2O)nn1 ZINC000404422301 897263105 /nfs/dbraw/zinc/26/31/05/897263105.db2.gz UAPSAULCHGEYHU-UHFFFAOYSA-N 0 0 266.732 1.947 20 10 CDCDRN COc1cccc(/C=C2/SC(=S)N(C)C2=O)n1 ZINC000588578125 897408339 /nfs/dbraw/zinc/40/83/39/897408339.db2.gz PQRIBTINYHWJDG-SOFGYWHQSA-N 0 0 266.347 1.921 20 10 CDCDRN CN1CCOc2cc(CN3CCC(=O)C(F)(F)C3)ccc21 ZINC001141143997 899788618 /nfs/dbraw/zinc/78/86/18/899788618.db2.gz RKIBFQAOGQJROP-UHFFFAOYSA-N 0 0 296.317 1.925 20 10 CDCDRN CONC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000048851404 904984229 /nfs/dbraw/zinc/98/42/29/904984229.db2.gz JPRGIZRETNCUGU-UHFFFAOYSA-N 0 0 283.303 1.023 20 10 CDCDRN COCCOC1CN(Cc2ccc(N(C)C)cc2OC)C1 ZINC001231857196 911860108 /nfs/dbraw/zinc/86/01/08/911860108.db2.gz YTYNMEGYBDWEGW-UHFFFAOYSA-N 0 0 294.395 1.608 20 10 CDCDRN [NH3+][C@@H]1CC[N@H+](Cc2c(F)ccc(F)c2[O-])CC[C@@H]1F ZINC001206174209 911904811 /nfs/dbraw/zinc/90/48/11/911904811.db2.gz MIQYWEPCUCWPRR-CMPLNLGQSA-N 0 0 274.286 1.932 20 10 CDCDRN C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2O)CO1 ZINC000828419577 936375016 /nfs/dbraw/zinc/37/50/16/936375016.db2.gz FPRBBZPVKDDRIO-ZYHUDNBSSA-N 0 0 264.325 1.711 20 10 CDCDRN C[C@H](O)CC(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001181357739 917017419 /nfs/dbraw/zinc/01/74/19/917017419.db2.gz RLGDHYROWAGBHO-QMMMGPOBSA-N 0 0 294.738 1.981 20 10 CDCDRN Cc1cc(C)c(CNC(=O)c2ccc(=O)[nH]n2)c(O)c1 ZINC001181753277 917341138 /nfs/dbraw/zinc/34/11/38/917341138.db2.gz YTDLQJHMIALTOJ-UHFFFAOYSA-N 0 0 273.292 1.892 20 10 CDCDRN C[C@@H]1CN(C2CN(Cc3c(O)cccc3F)C2)C[C@H](C)O1 ZINC001137841443 936420226 /nfs/dbraw/zinc/42/02/26/936420226.db2.gz FDFKGWLZPRTNPB-TXEJJXNPSA-N 0 0 294.370 1.825 20 10 CDCDRN O=C(NCc1ccccc1O)[C@H](CO)c1ccccc1 ZINC001181924319 917476076 /nfs/dbraw/zinc/47/60/76/917476076.db2.gz PWOGLVNNRHWKBM-CQSZACIVSA-N 0 0 271.316 1.785 20 10 CDCDRN C/C(=C\C(=O)N1CCN(C)c2ncccc21)c1cnccn1 ZINC000826890077 936444805 /nfs/dbraw/zinc/44/48/05/936444805.db2.gz GMYKOERUHPSANI-ZRDIBKRKSA-N 0 0 295.346 1.758 20 10 CDCDRN COc1ccc(O)c([C@@H](C)NC(=O)Cc2ncc[nH]2)c1 ZINC000830540852 936463028 /nfs/dbraw/zinc/46/30/28/936463028.db2.gz OODAQPSRXNRAOY-SECBINFHSA-N 0 0 275.308 1.544 20 10 CDCDRN O=C1C[C@@H]2COC[C@H](C1)N2Cc1cccc(F)c1O ZINC001138128733 936475569 /nfs/dbraw/zinc/47/55/69/936475569.db2.gz WPVKZAULHWMSPF-PHIMTYICSA-N 0 0 265.284 1.464 20 10 CDCDRN COC[C@@H]1COCCN1Cc1cccc(F)c1O ZINC001138129789 936476151 /nfs/dbraw/zinc/47/61/51/936476151.db2.gz WQWKMUZTSREKTD-LLVKDONJSA-N 0 0 255.289 1.379 20 10 CDCDRN CN1CCCc2cc(CN3CC(F)(CO)C3)ccc21 ZINC001138354965 936525463 /nfs/dbraw/zinc/52/54/63/936525463.db2.gz WZUOKGGTUWLHCK-UHFFFAOYSA-N 0 0 264.344 1.585 20 10 CDCDRN COC[C@H](OC)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000832431755 936579342 /nfs/dbraw/zinc/57/93/42/936579342.db2.gz UBRBMLLPUMXVHU-FZMZJTMJSA-N 0 0 280.368 1.591 20 10 CDCDRN CS(=O)(=O)N(c1ccc(N)cc1)c1cccnc1N ZINC001212401948 919571112 /nfs/dbraw/zinc/57/11/12/919571112.db2.gz NXCJQFYPGGWCTF-UHFFFAOYSA-N 0 0 278.337 1.344 20 10 CDCDRN C[C@@H](NC(=O)CN(C)C(=O)C1CC1)c1ccccc1O ZINC000827937502 936615674 /nfs/dbraw/zinc/61/56/74/936615674.db2.gz YKFYNNQHVNNWSY-SNVBAGLBSA-N 0 0 276.336 1.438 20 10 CDCDRN Cc1cc(CN2CC3(C2)CS(=O)C3)ccc1N(C)C ZINC001139670394 936634653 /nfs/dbraw/zinc/63/46/53/936634653.db2.gz MDIVNXGAOOTFEP-UHFFFAOYSA-N 0 0 278.421 1.625 20 10 CDCDRN CC(=O)N(C)C1CN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139672805 936634667 /nfs/dbraw/zinc/63/46/67/936634667.db2.gz GMBFDDWNDAKJPH-UHFFFAOYSA-N 0 0 275.396 1.724 20 10 CDCDRN Cc1cc(CN2CC(S(C)(=O)=O)C2)ccc1N(C)C ZINC001139672845 936634748 /nfs/dbraw/zinc/63/47/48/936634748.db2.gz JBTMRFWITKNUCO-UHFFFAOYSA-N 0 0 282.409 1.290 20 10 CDCDRN CC(=O)[C@@H]1CN(Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC001139673354 936634833 /nfs/dbraw/zinc/63/48/33/936634833.db2.gz AQLYDJYPEWYOSD-INIZCTEOSA-N 0 0 276.380 1.851 20 10 CDCDRN C[C@@H](NC(=O)[C@H]1CCC[C@H](C(N)=O)C1)c1ccccc1O ZINC000827946473 936635586 /nfs/dbraw/zinc/63/55/86/936635586.db2.gz JDVDWPAFKDNPQN-WOPDTQHZSA-N 0 0 290.363 1.861 20 10 CDCDRN COCCn1ccc(C(=O)N[C@H](C)c2ccccc2O)n1 ZINC000827947047 936636837 /nfs/dbraw/zinc/63/68/37/936636837.db2.gz ZKGKERITIWKEPC-LLVKDONJSA-N 0 0 289.335 1.726 20 10 CDCDRN Cc1oncc1S(=O)(=O)Nc1c(F)cc(O)cc1F ZINC001187379955 920513183 /nfs/dbraw/zinc/51/31/83/920513183.db2.gz QYKFBIYUCWNJHP-UHFFFAOYSA-N 0 0 290.247 1.768 20 10 CDCDRN CC(C)n1cnc(C(=O)NCc2ccccc2O)n1 ZINC001188042599 920784131 /nfs/dbraw/zinc/78/41/31/920784131.db2.gz JFLYTYJWNHDGNQ-UHFFFAOYSA-N 0 0 260.297 1.495 20 10 CDCDRN COC(=O)CN1CCN(Cc2c(O)cccc2Cl)CC1 ZINC001140344748 936704219 /nfs/dbraw/zinc/70/42/19/936704219.db2.gz LXZGQSQTMMJUAG-UHFFFAOYSA-N 0 0 298.770 1.336 20 10 CDCDRN CC(=O)N[C@H]1CC[N@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140584214 936727832 /nfs/dbraw/zinc/72/78/32/936727832.db2.gz JHIRDRNUYSWFJE-JTQLQIEISA-N 0 0 270.279 1.381 20 10 CDCDRN COC(=O)[C@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001190571845 922073763 /nfs/dbraw/zinc/07/37/63/922073763.db2.gz ORVNKHGAFSYVHR-QWRGUYRKSA-N 0 0 293.367 1.674 20 10 CDCDRN Fc1cc(N2CCOCC2)ccc1CN1C[C@@H]2C[C@H]1CO2 ZINC001140663901 936736682 /nfs/dbraw/zinc/73/66/82/936736682.db2.gz SEIBBSIJPLOTCF-GJZGRUSLSA-N 0 0 292.354 1.635 20 10 CDCDRN Nc1ccc(NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000701427362 922387944 /nfs/dbraw/zinc/38/79/44/922387944.db2.gz NNELBQJQCLLDDG-SECBINFHSA-N 0 0 259.309 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CDCDRN CCC[C@H](O)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000773745992 575837481 /nfs/dbraw/zinc/83/74/81/575837481.db2.gz SCTKHCWARAJVGF-JQWIXIFHSA-N 0 0 281.352 1.696 20 10 CDCDRN CCN(C)c1ccc(CN2CCO[C@@H](C(=O)NC)C2)cc1 ZINC000773835214 575840348 /nfs/dbraw/zinc/84/03/48/575840348.db2.gz WMTIMLIDVSCMTB-OAHLLOKOSA-N 0 0 291.395 1.090 20 10 CDCDRN CCN(C)c1ccc(CN2C[C@H](C)O[C@H](CO)C2)cc1 ZINC000773888634 575843166 /nfs/dbraw/zinc/84/31/66/575843166.db2.gz LBCIUAMDEFJBCN-BBRMVZONSA-N 0 0 278.396 1.724 20 10 CDCDRN C[C@H](O)C[C@@H]1CCCN1C(=O)C1=CC(=O)CS1 ZINC000765143270 575991708 /nfs/dbraw/zinc/99/17/08/575991708.db2.gz MZQTVCLZMTWSLL-IUCAKERBSA-N 0 0 255.339 1.829 20 10 CDCDRN CC[C@H](C[C@H](C)CO)NC(=O)C1=CC(=O)CS1 ZINC000765310746 576008067 /nfs/dbraw/zinc/00/80/67/576008067.db2.gz MIHCROSPRLLZFB-DTWKUNHWSA-N 0 0 257.355 1.981 20 10 CDCDRN CCOc1ccc([C@@H]2NC(=O)[C@H]3CSCCN23)c(O)c1 ZINC000765518349 576035281 /nfs/dbraw/zinc/03/52/81/576035281.db2.gz BEUZOGYQXZYULM-DGCLKSJQSA-N 0 0 294.376 1.337 20 10 CDCDRN C[C@H](O)CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000765541755 576037047 /nfs/dbraw/zinc/03/70/47/576037047.db2.gz NCRBTGYLLYCSOH-QWRGUYRKSA-N 0 0 265.357 1.494 20 10 CDCDRN CC[C@H](NC(=O)C1=CC(=O)CS1)[C@H](O)C(F)(F)F ZINC000766249774 576088538 /nfs/dbraw/zinc/08/85/38/576088538.db2.gz PNEYPKXDBHSNOQ-XPUUQOCRSA-N 0 0 283.271 1.885 20 10 CDCDRN CC[C@H](NC(=O)C1=CC(=O)CS1)[C@@H](O)C(F)(F)F ZINC000766249771 576088547 /nfs/dbraw/zinc/08/85/47/576088547.db2.gz PNEYPKXDBHSNOQ-POYBYMJQSA-N 0 0 283.271 1.885 20 10 CDCDRN CCOc1ccc(CN2CCNC(=O)[C@@H]2C)c(O)c1 ZINC000769191669 576336687 /nfs/dbraw/zinc/33/66/87/576336687.db2.gz AWDCSQFLOPFYEA-JTQLQIEISA-N 0 0 264.325 1.111 20 10 CDCDRN CCO[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC000760448898 576485169 /nfs/dbraw/zinc/48/51/69/576485169.db2.gz OWKXINMEDFWBFG-VHSXEESVSA-N 0 0 271.338 1.378 20 10 CDCDRN Cc1ccc(C(=O)N[C@H](CO)CC(F)F)c(O)c1O ZINC000760677151 576501344 /nfs/dbraw/zinc/50/13/44/576501344.db2.gz 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/nfs/dbraw/zinc/00/23/48/577002348.db2.gz NPZNUNSAPORFAR-MRVPVSSYSA-N 0 0 277.303 1.704 20 10 CDCDRN COC(=O)N1CC([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000756760051 577003425 /nfs/dbraw/zinc/00/34/25/577003425.db2.gz NNUVOFPCRPCLBT-ZETCQYMHSA-N 0 0 286.278 1.772 20 10 CDCDRN C[C@H]([NH2+][C@H]1CCOC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756770822 577003795 /nfs/dbraw/zinc/00/37/95/577003795.db2.gz XMJLQOFYOWYACO-IUCAKERBSA-N 0 0 252.270 1.740 20 10 CDCDRN C[C@H]1C[C@@H](NCc2ncn(C)n2)c2c1c(F)ccc2O ZINC000756778869 577004298 /nfs/dbraw/zinc/00/42/98/577004298.db2.gz GDHVJNQVMJLXDZ-WCBMZHEXSA-N 0 0 276.315 1.998 20 10 CDCDRN Cc1cc(CNC(=O)c2ccc(C)c(O)c2O)no1 ZINC000751535385 577048925 /nfs/dbraw/zinc/04/89/25/577048925.db2.gz PJLGAMYMOJMWEC-UHFFFAOYSA-N 0 0 262.265 1.633 20 10 CDCDRN CC[C@H](OC(=O)c1cccc(O)c1O)C(=O)OC ZINC000758571060 577118825 /nfs/dbraw/zinc/11/88/25/577118825.db2.gz BUYASPHCMGGIQX-VIFPVBQESA-N 0 0 254.238 1.206 20 10 CDCDRN O=C(N[C@H]1CCc2c[nH]nc2C1)C1=CC(=O)CS1 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CCOC(=O)NCC(=O)NCc1cccc(Cl)c1O ZINC000890758026 617320427 /nfs/dbraw/zinc/32/04/27/617320427.db2.gz QAUPHQYHGCJGOM-UHFFFAOYSA-N 0 0 286.715 1.408 20 10 CDCDRN Nc1ccc(CCNC(=O)N[C@H]2CCCn3nccc32)cc1 ZINC000892039124 617434123 /nfs/dbraw/zinc/43/41/23/617434123.db2.gz PQUOZOBZPISAAH-AWEZNQCLSA-N 0 0 299.378 1.842 20 10 CDCDRN CC(C)[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C(=O)[O-] ZINC000043430161 617556178 /nfs/dbraw/zinc/55/61/78/617556178.db2.gz BQHNCZNYRGZMGM-OAHLLOKOSA-N 0 0 292.379 1.722 20 10 CDCDRN O=C(NCCCSc1nccs1)N1CC[C@@H]1CO ZINC000893645067 617786254 /nfs/dbraw/zinc/78/62/54/617786254.db2.gz GJFJKAVLLURCGP-SECBINFHSA-N 0 0 287.410 1.402 20 10 CDCDRN C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000840999136 620755959 /nfs/dbraw/zinc/75/59/59/620755959.db2.gz CJVHEUAKYIXIOF-MFKMUULPSA-N 0 0 275.352 1.902 20 10 CDCDRN CCOC(=O)[C@H](CC)C(=O)NCc1ccc(O)c(O)c1 ZINC000840402892 618523113 /nfs/dbraw/zinc/52/31/13/618523113.db2.gz PIPXIWZZOZQHSV-SNVBAGLBSA-N 0 0 281.308 1.303 20 10 CDCDRN CC1(O)CCC(NC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000826696131 618607556 /nfs/dbraw/zinc/60/75/56/618607556.db2.gz VKFMIYQTAMDLSM-UHFFFAOYSA-N 0 0 283.299 1.660 20 10 CDCDRN CC[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841067020 618680145 /nfs/dbraw/zinc/68/01/45/618680145.db2.gz IMDRGZPTKFGJCD-GXFFZTMASA-N 0 0 275.352 1.902 20 10 CDCDRN COC(=O)[C@@](C)(CO)NCc1ccc(OC)c(C)c1 ZINC000894974709 619171927 /nfs/dbraw/zinc/17/19/27/619171927.db2.gz GGKQMBVYOMXSSM-CQSZACIVSA-N 0 0 267.325 1.017 20 10 CDCDRN Cc1ccc(C(=O)OC[C@H]2CCOC2)c(O)c1O ZINC000727004086 619284870 /nfs/dbraw/zinc/28/48/70/619284870.db2.gz NLCXYRGFXDPYNC-VIFPVBQESA-N 0 0 252.266 1.600 20 10 CDCDRN C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1Cc1cc2c(cc1O)OCO2 ZINC000895114510 619304841 /nfs/dbraw/zinc/30/48/41/619304841.db2.gz MEMICHWLAMKMLG-AEJSXWLSSA-N 0 0 292.335 1.218 20 10 CDCDRN C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1Cc1cc(F)ccc1O ZINC000895919379 619899967 /nfs/dbraw/zinc/89/99/67/619899967.db2.gz FSFUWYKTAJSBGN-GMTAPVOTSA-N 0 0 280.343 1.971 20 10 CDCDRN CN1CC[C@H]1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000896593967 620160897 /nfs/dbraw/zinc/16/08/97/620160897.db2.gz DHTPXTNBRONNRR-JTQLQIEISA-N 0 0 258.724 1.978 20 10 CDCDRN C[C@@]1(CNC(=O)C(=O)Nc2ccc(N)cc2)CCCS1 ZINC000841068905 621711661 /nfs/dbraw/zinc/71/16/61/621711661.db2.gz KANYEPVDEQLUDR-AWEZNQCLSA-N 0 0 293.392 1.609 20 10 CDCDRN CN(C)c1ccc([C@H](CNCc2ncc[nH]2)[NH+](C)C)cc1 ZINC000898451686 621741933 /nfs/dbraw/zinc/74/19/33/621741933.db2.gz NPYJYWJJTQMXDE-HNNXBMFYSA-N 0 0 287.411 1.868 20 10 CDCDRN O=C(N[C@@H]1CCCC12OCCO2)C1=CC(=O)CS1 ZINC000898948383 621991336 /nfs/dbraw/zinc/99/13/36/621991336.db2.gz QHXHVPVTRULEAC-SNVBAGLBSA-N 0 0 269.322 1.479 20 10 CDCDRN COC[C@H]1COCCN1Cc1cc2c(cc1O)CCC2 ZINC000902563089 624951177 /nfs/dbraw/zinc/95/11/77/624951177.db2.gz JHPBVUDVAWIXLH-HNNXBMFYSA-N 0 0 277.364 1.728 20 10 CDCDRN CN1CCCc2cc(CNC(=O)[C@H]3[C@@H]4C(=O)CC[C@H]34)ccc21 ZINC000906456007 627278121 /nfs/dbraw/zinc/27/81/21/627278121.db2.gz WXPLWFOTGCJDBX-RRQGHBQHSA-N 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284.275 1.616 20 10 CDCDRN COc1ccc(CNC(=O)[C@@H](O)C2CCCCC2)c(O)c1 ZINC000794377445 1162468820 /nfs/dbraw/zinc/46/88/20/1162468820.db2.gz ILNFJTAGFIXBRX-HNNXBMFYSA-N 0 0 293.363 1.958 20 10 CDCDRN COc1ccc(CNC(=O)c2c(C)ccn2C)c(O)c1 ZINC000794381044 1162469678 /nfs/dbraw/zinc/46/96/78/1162469678.db2.gz ITKGMERGUGUJRA-UHFFFAOYSA-N 0 0 274.320 1.978 20 10 CDCDRN Oc1cc(O)c(CCNc2ncnc3nc[nH]c32)cc1O ZINC001168009195 1160222585 /nfs/dbraw/zinc/22/25/85/1160222585.db2.gz FHNCZQCWMDNDJB-UHFFFAOYSA-N 0 0 287.279 1.076 20 10 CDCDRN CCOc1ccc(C[N@@H+]2CCOC[C@H]2CC(=O)[O-])c(O)c1 ZINC001605691752 1163642182 /nfs/dbraw/zinc/64/21/82/1163642182.db2.gz MUJFDQBFUWCFMC-GFCCVEGCSA-N 0 0 295.335 1.466 20 10 CDCDRN O=C([O-])[C@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC001608624764 1164580550 /nfs/dbraw/zinc/58/05/50/1164580550.db2.gz LZQDOSGEYLQSLA-QWHCGFSZSA-N 0 0 261.321 1.964 20 10 CDCDRN C[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1cc(C(=O)[O-])ccc1O ZINC001609780694 1165078347 /nfs/dbraw/zinc/07/83/47/1165078347.db2.gz VFWLVRJPWAWINH-FEUHOPSXSA-N 0 0 295.335 1.281 20 10 CDCDRN Nc1ccc(NC(=O)NCCC(=O)N2CCCCC2)cc1 ZINC000124562059 1165571456 /nfs/dbraw/zinc/57/14/56/1165571456.db2.gz MPOPGVCTPFABLC-UHFFFAOYSA-N 0 0 290.367 1.793 20 10 CDCDRN CCOC1(C(=O)N(C)c2ccc(N)cc2)CCOCC1 ZINC000877075015 1165971241 /nfs/dbraw/zinc/97/12/41/1165971241.db2.gz YIQHNUINVMWDQS-UHFFFAOYSA-N 0 0 278.352 1.817 20 10 CDCDRN O=C(c1nnc2ccccn21)N1CCc2cccc(O)c2C1 ZINC001155387165 1167150254 /nfs/dbraw/zinc/15/02/54/1167150254.db2.gz CDQJVBDEPIFMBA-UHFFFAOYSA-N 0 0 294.314 1.633 20 10 CDCDRN C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589978577 1173221875 /nfs/dbraw/zinc/22/18/75/1173221875.db2.gz OWWOJUCPTVUBNP-UTLUCORTSA-N 0 0 273.340 1.879 20 10 CDCDRN CN(C)c1ccc(CNc2ccnc(-c3nn[nH]n3)c2)cc1 ZINC001591032408 1173562671 /nfs/dbraw/zinc/56/26/71/1173562671.db2.gz LFQPQNJIKVRUID-UHFFFAOYSA-N 0 0 295.350 1.362 20 10 CDCDRN O=C([O-])[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC001595197006 1174198246 /nfs/dbraw/zinc/19/82/46/1174198246.db2.gz KKYGMYDNUMYGFQ-ZANVPECISA-N 0 0 293.319 1.115 20 10 CDCDRN Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1nnn(C)n1 ZINC000398065274 1187294181 /nfs/dbraw/zinc/29/41/81/1187294181.db2.gz HJNHYHLMRUJJIB-NXEZZACHSA-N 0 0 273.340 1.562 20 10 CDCDRN COc1ccc2c(c1)CCCN2Cc1cnn(C)n1 ZINC000809934561 735224978 /nfs/dbraw/zinc/22/49/78/735224978.db2.gz XHBDTJSTYXYLBC-UHFFFAOYSA-N 0 0 258.325 1.777 20 10 CDCDRN CC(C)Nc1ccccc1NCC(=O)N1CCNC1=O ZINC000871847113 735287507 /nfs/dbraw/zinc/28/75/07/735287507.db2.gz KUIQRDJYIYGDCG-UHFFFAOYSA-N 0 0 276.340 1.471 20 10 CDCDRN Cn1ccc(CC(=O)NCc2c(O)ccc3c2CCCC3)n1 ZINC000184027305 735288529 /nfs/dbraw/zinc/28/85/29/735288529.db2.gz HAYARXXOSDEAMY-UHFFFAOYSA-N 0 0 299.374 1.863 20 10 CDCDRN Cc1c(CNC(=O)c2cccc(O)c2O)cnn1C ZINC000187209590 735342198 /nfs/dbraw/zinc/34/21/98/735342198.db2.gz WQJOBRYJBJTOQU-UHFFFAOYSA-N 0 0 261.281 1.070 20 10 CDCDRN 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Cn1nccc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000123673040 735425311 /nfs/dbraw/zinc/42/53/11/735425311.db2.gz DOHRFVBILHAZHJ-UHFFFAOYSA-N 0 0 284.363 1.733 20 10 CDCDRN COc1cccc(CNC(=O)[C@H](C)Cc2c[nH]cn2)c1O ZINC000847589700 735493352 /nfs/dbraw/zinc/49/33/52/735493352.db2.gz MSSORAHVSRCSBA-SNVBAGLBSA-N 0 0 289.335 1.619 20 10 CDCDRN CC[C@H](O)CCCNC(=O)Cc1ccc(N)cc1 ZINC000398627623 735501322 /nfs/dbraw/zinc/50/13/22/735501322.db2.gz ZZCOEUBXRSKEKN-ZDUSSCGKSA-N 0 0 250.342 1.479 20 10 CDCDRN COc1ccc(CNC(=O)c2ccncc2F)c(O)c1 ZINC000794382775 735503047 /nfs/dbraw/zinc/50/30/47/735503047.db2.gz HYMYJDQSSCZQFZ-UHFFFAOYSA-N 0 0 276.267 1.865 20 10 CDCDRN CN(CC(N)=O)Cc1c(O)cccc1Br ZINC000707129129 735776372 /nfs/dbraw/zinc/77/63/72/735776372.db2.gz DBQRSEIFCGTVCT-UHFFFAOYSA-N 0 0 273.130 1.072 20 10 CDCDRN Cn1ncc(C2CC2)c1CNC(=O)C1=CC(=O)CS1 ZINC000855790636 735814956 /nfs/dbraw/zinc/81/49/56/735814956.db2.gz BOXFEBUPBLOMRX-UHFFFAOYSA-N 0 0 277.349 1.995 20 10 CDCDRN CCN1CC(=O)N[C@H]1c1c(O)cccc1Br 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ZINC000860237277 736087684 /nfs/dbraw/zinc/08/76/84/736087684.db2.gz OMIZJSSNGLISPZ-AWEZNQCLSA-N 0 0 281.352 1.962 20 10 CDCDRN CN(C)c1ccc(CNC(=O)N2CC=C[C@@H]2CO)cc1 ZINC000883077212 736123366 /nfs/dbraw/zinc/12/33/66/736123366.db2.gz CFRPYEAYSAABLS-CQSZACIVSA-N 0 0 275.352 1.195 20 10 CDCDRN C[C@@H]([NH2+]C[C@@H]1COCCO1)c1ccc(F)cc1[O-] ZINC000062747888 736314085 /nfs/dbraw/zinc/31/40/85/736314085.db2.gz MOMOFTPITGHGBL-MWLCHTKSSA-N 0 0 255.289 1.597 20 10 CDCDRN CCS(=O)(=O)C1CN(Cc2cc(F)ccc2O)C1 ZINC000841886325 736335519 /nfs/dbraw/zinc/33/55/19/736335519.db2.gz MMIQCMSUESOVNO-UHFFFAOYSA-N 0 0 273.329 1.150 20 10 CDCDRN CNC(=O)C[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000836237483 736341890 /nfs/dbraw/zinc/34/18/90/736341890.db2.gz GIYQGGWRESGALK-NSHDSACASA-N 0 0 292.383 1.076 20 10 CDCDRN CO[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])[C@@H]1CCOC1 ZINC000883164658 733189935 /nfs/dbraw/zinc/18/99/35/733189935.db2.gz LJVSNWROMUQZPE-NOZJJQNGSA-N 0 0 287.306 1.812 20 10 CDCDRN CC1(C)C[C@@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784337560 733267776 /nfs/dbraw/zinc/26/77/76/733267776.db2.gz GSYKXUOSGKEGFC-SECBINFHSA-N 0 0 264.277 1.870 20 10 CDCDRN COc1cccc(O)c1CN1C[C@H](C)S(=O)(=O)[C@@H](C)C1 ZINC000811518749 733279307 /nfs/dbraw/zinc/27/93/07/733279307.db2.gz PRBNVPLXITWJAG-QWRGUYRKSA-N 0 0 299.392 1.408 20 10 CDCDRN CN(C)c1ccc(CNC(=O)c2cccc(=O)[nH]2)cc1 ZINC000227876166 733303287 /nfs/dbraw/zinc/30/32/87/733303287.db2.gz LMRKHPDVGVCSQJ-UHFFFAOYSA-N 0 0 271.320 1.371 20 10 CDCDRN O=C(CSc1nnnn1C1CC1)c1ccc(O)c(O)c1 ZINC000035045013 733385862 /nfs/dbraw/zinc/38/58/62/733385862.db2.gz XTLXSJRDKSKUCA-UHFFFAOYSA-N 0 0 292.320 1.394 20 10 CDCDRN CCC1(CNC(=O)NCc2cc(OC)ccc2O)COC1 ZINC000838475155 733413053 /nfs/dbraw/zinc/41/30/53/733413053.db2.gz XXALNTUZNHKJFP-UHFFFAOYSA-N 0 0 294.351 1.627 20 10 CDCDRN C[C@@H]1C[C@@H](O)CN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000788550714 733440759 /nfs/dbraw/zinc/44/07/59/733440759.db2.gz SGPBAIJMICUMFA-VVCGMDSISA-N 0 0 263.293 1.093 20 10 CDCDRN CO[C@@H]1C[C@H](NC(=O)c2cccc(O)c2O)C12CCC2 ZINC000713144740 733444116 /nfs/dbraw/zinc/44/41/16/733444116.db2.gz KZQHHHVZBRBCAH-NWDGAFQWSA-N 0 0 277.320 1.785 20 10 CDCDRN CCOC1(C(=O)N(C)Cc2ccccc2O)CCOCC1 ZINC000830141782 733471308 /nfs/dbraw/zinc/47/13/08/733471308.db2.gz YKMJYPYPMDXGEN-UHFFFAOYSA-N 0 0 293.363 1.936 20 10 CDCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCOC[C@H]1O ZINC000706777619 733519767 /nfs/dbraw/zinc/51/97/67/733519767.db2.gz HRDJBHATNQTXOW-GHMZBOCLSA-N 0 0 292.162 1.938 20 10 CDCDRN O=C(CC1OCCO1)NCc1c(O)ccc2c1CCCC2 ZINC000793690340 733521340 /nfs/dbraw/zinc/52/13/40/733521340.db2.gz VHPNMRDWZPPMNY-UHFFFAOYSA-N 0 0 291.347 1.650 20 10 CDCDRN C[C@H]1OCC[C@]1(O)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000789775819 733579279 /nfs/dbraw/zinc/57/92/79/733579279.db2.gz BZUJIWGIJNQNLG-OQPBUACISA-N 0 0 289.734 1.814 20 10 CDCDRN C[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1O ZINC000778261012 733668465 /nfs/dbraw/zinc/66/84/65/733668465.db2.gz PYFYHZBQWWPVKL-WFASDCNBSA-N 0 0 291.395 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CDCDRN CCN(CCS(C)(=O)=O)Cc1cc(C)cc(C)c1O ZINC000164603321 733833909 /nfs/dbraw/zinc/83/39/09/733833909.db2.gz JLDZAASETYTPCM-UHFFFAOYSA-N 0 0 285.409 1.876 20 10 CDCDRN C[C@H]([NH2+][C@@H]1COCC[C@H]1O)c1ccc(F)cc1[O-] ZINC000710894813 733842420 /nfs/dbraw/zinc/84/24/20/733842420.db2.gz QLFJMXCGCYYJME-XXILOJSOSA-N 0 0 255.289 1.332 20 10 CDCDRN CC(=O)C(=O)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000808032253 733876423 /nfs/dbraw/zinc/87/64/23/733876423.db2.gz UMGPMKXBGQQGRY-UHFFFAOYSA-N 0 0 273.248 1.616 20 10 CDCDRN COc1ccc(O)c(CNC(=O)c2c[nH]nc2C)c1 ZINC000173580322 733943276 /nfs/dbraw/zinc/94/32/76/733943276.db2.gz SNKUUZFEIHAOMD-UHFFFAOYSA-N 0 0 261.281 1.362 20 10 CDCDRN COC(=O)[C@H]1CN(Cc2ccc(N(C)C)cc2)CCO1 ZINC000093081410 733946927 /nfs/dbraw/zinc/94/69/27/733946927.db2.gz ACXGCFBIYMNVRG-CQSZACIVSA-N 0 0 278.352 1.126 20 10 CDCDRN Cn1cc(/C=C\C(=O)N2CCOCc3ccccc32)cn1 ZINC000791875003 733971044 /nfs/dbraw/zinc/97/10/44/733971044.db2.gz KZUNYECYLFFDKT-SREVYHEPSA-N 0 0 283.331 1.997 20 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CDCDRN COC(=O)c1ccccc1N(C)C(=O)/C=C/c1cnn(C)c1 ZINC000314359068 734045948 /nfs/dbraw/zinc/04/59/48/734045948.db2.gz WEGPYKNMESTKSH-CMDGGOBGSA-N 0 0 299.330 1.883 20 10 CDCDRN COC(=O)c1ccc(C=C2SC(=S)NC2=O)n1C ZINC000821021119 734057753 /nfs/dbraw/zinc/05/77/53/734057753.db2.gz DNPAGEOIPFTTID-VMPITWQZSA-N 0 0 282.346 1.301 20 10 CDCDRN C[C@@H](NC(=O)N[C@H]1COC[C@@H]1C)c1ccccc1O ZINC000926031878 734059891 /nfs/dbraw/zinc/05/98/91/734059891.db2.gz MOFNRYLBOUSJQF-UMNHJUIQSA-N 0 0 264.325 1.787 20 10 CDCDRN Nc1ccc(NC(=O)C(=O)N2CC[C@H](CF)C2)cc1 ZINC000883616767 734093039 /nfs/dbraw/zinc/09/30/39/734093039.db2.gz RQSOCCKKNKNCKU-SECBINFHSA-N 0 0 265.288 1.025 20 10 CDCDRN CN(CC1=CCCOC1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000855739055 734108051 /nfs/dbraw/zinc/10/80/51/734108051.db2.gz FMDNCJUNAYFDOF-ALCCZGGFSA-N 0 0 289.331 1.916 20 10 CDCDRN CC(=O)C(=O)CSc1nc(=O)ccn1C(C)C ZINC000808021340 734155186 /nfs/dbraw/zinc/15/51/86/734155186.db2.gz JFBAWGKBLBZZHU-UHFFFAOYSA-N 0 0 254.311 1.074 20 10 CDCDRN 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CDCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCOC(=O)N2)c1 ZINC000860243192 734277404 /nfs/dbraw/zinc/27/74/04/734277404.db2.gz ZLZPWGICZCGSLY-KWQFWETISA-N 0 0 294.307 1.077 20 10 CDCDRN CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000322515743 734284703 /nfs/dbraw/zinc/28/47/03/734284703.db2.gz KDNBEFNCKLKMBN-RKDXNWHRSA-N 0 0 254.305 1.707 20 10 CDCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](CO)c1ccccc1 ZINC000181298718 734286142 /nfs/dbraw/zinc/28/61/42/734286142.db2.gz WGSVDKVRTFJWTE-KGXGESDWSA-N 0 0 299.326 1.961 20 10 CDCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cnn(C)n2)c1 ZINC000786408123 734308810 /nfs/dbraw/zinc/30/88/10/734308810.db2.gz FEGSYXCULOYPSK-MRVPVSSYSA-N 0 0 276.296 1.020 20 10 CDCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cc(=O)[nH]cn1 ZINC000858452889 734341504 /nfs/dbraw/zinc/34/15/04/734341504.db2.gz OWGOPCYGQAGHTG-UHFFFAOYSA-N 0 0 298.346 1.712 20 10 CDCDRN Cc1ccc(O)c(CNC(=O)C(C)(C)N2CCOCC2)c1 ZINC000862755678 734354999 /nfs/dbraw/zinc/35/49/99/734354999.db2.gz JTAFWOBYSNAGQJ-UHFFFAOYSA-N 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942774238 /nfs/dbraw/zinc/77/42/38/942774238.db2.gz HAGVVPUCWHSKED-UHFFFAOYSA-N 0 0 289.310 1.517 20 10 CDCDRN C[C@@H]1CO[C@@H]2C[N@H+](Cc3ccc(C(=O)[O-])cc3O)C[C@H]12 ZINC001231454871 942899321 /nfs/dbraw/zinc/89/93/21/942899321.db2.gz JXMGATXLWIGHPM-GAJTVXKRSA-N 0 0 277.320 1.557 20 10 CDCDRN O=C([O-])c1ccc(O)c(C[N@@H+]2CC[C@]3(CCOC3)C2)c1 ZINC001231560297 942925762 /nfs/dbraw/zinc/92/57/62/942925762.db2.gz GBIWNMUDFMZKSA-HNNXBMFYSA-N 0 0 277.320 1.703 20 10 CDCDRN COc1cc(CN(C)Cc2ncccn2)c(O)cc1O ZINC001231634400 942949265 /nfs/dbraw/zinc/94/92/65/942949265.db2.gz LYZLGGHLFALDNV-UHFFFAOYSA-N 0 0 275.308 1.528 20 10 CDCDRN C[C@@H]1C(=O)NCCN1Cc1cc(Cl)c(O)cc1O ZINC001232261122 943192042 /nfs/dbraw/zinc/19/20/42/943192042.db2.gz CTUFBDBFRQBFCY-SSDOTTSWSA-N 0 0 270.716 1.072 20 10 CDCDRN COC[C@@H]1COCCN1Cc1cc(Cl)c(O)cc1O ZINC001232263831 943194172 /nfs/dbraw/zinc/19/41/72/943194172.db2.gz WOSFBSJFXFECQY-SNVBAGLBSA-N 0 0 287.743 1.598 20 10 CDCDRN Oc1cc(O)c(CN2CC(N3CCOCC3)C2)cc1Cl 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/nfs/dbraw/zinc/89/82/44/741898244.db2.gz DELIOYHBOPDSHQ-POHAHGRESA-N 0 0 265.309 1.610 20 10 CDCDRN C[C@@H](NCc1ccc(N(C)C)cc1)c1cnn(C)n1 ZINC000924573676 741950456 /nfs/dbraw/zinc/95/04/56/741950456.db2.gz JOQWGMVMNLPWMO-LLVKDONJSA-N 0 0 259.357 1.732 20 10 CDCDRN COCc1noc(CN[C@@H](C)c2cc(OC)ccc2O)n1 ZINC000180251064 742029787 /nfs/dbraw/zinc/02/97/87/742029787.db2.gz FGUDRTKDSALAHH-VIFPVBQESA-N 0 0 293.323 1.781 20 10 CDCDRN Cc1cc(Cn2cc(Cn3ccnc3)nn2)ccc1N(C)C ZINC000881378396 742032947 /nfs/dbraw/zinc/03/29/47/742032947.db2.gz OMMLWVOWWUWISQ-UHFFFAOYSA-N 0 0 296.378 1.946 20 10 CDCDRN O=C(NCc1ccc(O)c(O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000159002240 742041329 /nfs/dbraw/zinc/04/13/29/742041329.db2.gz DVUNIDKNOWQSNV-UHFFFAOYSA-N 0 0 288.259 1.936 20 10 CDCDRN COCCONC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000789352794 741983835 /nfs/dbraw/zinc/98/38/35/741983835.db2.gz GLQIKUQPOHIRAV-SECBINFHSA-N 0 0 284.312 1.339 20 10 CDCDRN C/C=C(/C)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784036014 742210256 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C[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)C(=O)N(C)C ZINC000886549254 740014751 /nfs/dbraw/zinc/01/47/51/740014751.db2.gz FCWVUVGMHWTHOM-DTWKUNHWSA-N 0 0 254.305 1.659 20 10 CDCDRN COC[C@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@@H](C)O1 ZINC000832002117 740049118 /nfs/dbraw/zinc/04/91/18/740049118.db2.gz BOUSWSOLKLYSSE-BXUZGUMPSA-N 0 0 278.352 1.074 20 10 CDCDRN C[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1c([O-])cccc1F ZINC000886588037 740212623 /nfs/dbraw/zinc/21/26/23/740212623.db2.gz KCGLEFOZGAGARF-VIFPVBQESA-N 0 0 292.314 1.335 20 10 CDCDRN C[C@H](NC(=O)[C@H]1CCCNC1=O)c1ccc(N(C)C)cc1 ZINC000867502948 740237600 /nfs/dbraw/zinc/23/76/00/740237600.db2.gz FZADQOSBXNODRK-FZMZJTMJSA-N 0 0 289.379 1.456 20 10 CDCDRN Cc1nnc(CC(=O)NCCc2ccc(O)c(O)c2)s1 ZINC000830532209 740250968 /nfs/dbraw/zinc/25/09/68/740250968.db2.gz STMRPZXDLCZTIV-UHFFFAOYSA-N 0 0 293.348 1.159 20 10 CDCDRN Cn1nccc1[C@@H]1CN(C(=O)C2=CC(=O)CS2)CCO1 ZINC000887590987 740261706 /nfs/dbraw/zinc/26/17/06/740261706.db2.gz YOOZCTHARXJTPM-NSHDSACASA-N 0 0 293.348 1.401 20 10 CDCDRN Cc1cc(O)c(CN2CC(=O)N(C)C2)cc1Cl ZINC000825474347 740277856 /nfs/dbraw/zinc/27/78/56/740277856.db2.gz ASNAMQBCKDWAFS-UHFFFAOYSA-N 0 0 254.717 1.586 20 10 CDCDRN C[C@@H](NC(=O)NCCC(C)(C)O)c1ccccc1O ZINC000868517232 740295112 /nfs/dbraw/zinc/29/51/12/740295112.db2.gz TUGPILZOMVRFFM-SNVBAGLBSA-N 0 0 266.341 1.913 20 10 CDCDRN CCCNC(=O)Cc1noc(Cc2ccc(N)cc2)n1 ZINC000843218208 740300592 /nfs/dbraw/zinc/30/05/92/740300592.db2.gz SFTBCEKKGLOKSM-UHFFFAOYSA-N 0 0 274.324 1.311 20 10 CDCDRN CN(C)c1ccc(CN(C(=O)Cc2nnc[nH]2)C2CC2)cc1 ZINC000864786809 740381113 /nfs/dbraw/zinc/38/11/13/740381113.db2.gz ZRIFLGPBIGHHKJ-UHFFFAOYSA-N 0 0 299.378 1.604 20 10 CDCDRN CC[C@@H]1COCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181091380 740403622 /nfs/dbraw/zinc/40/36/22/740403622.db2.gz VHXJSCZQVASYQO-FVOPLDGLSA-N 0 0 277.320 1.748 20 10 CDCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCNC(=O)C1 ZINC000808094430 740403829 /nfs/dbraw/zinc/40/38/29/740403829.db2.gz OICXNCRDCWJUBE-JTQLQIEISA-N 0 0 297.351 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CDCDRN C[C@@H](NS(=O)(=O)CC[C@@H]1CCOC1)c1ccccc1O ZINC000867834712 740778489 /nfs/dbraw/zinc/77/84/89/740778489.db2.gz KSMGVOGFCMBDGN-NEPJUHHUSA-N 0 0 299.392 1.799 20 10 CDCDRN CC[C@@H](NC(=O)c1c(F)ccc(O)c1O)[C@H]1CCCO1 ZINC000790075779 740798053 /nfs/dbraw/zinc/79/80/53/740798053.db2.gz NTYGYLFYBRHJQG-MWLCHTKSSA-N 0 0 283.299 1.924 20 10 CDCDRN CN(C)C(=O)NCC[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000779432302 741175232 /nfs/dbraw/zinc/17/52/32/741175232.db2.gz QXOGFJLKORFRPG-UHFFFAOYSA-N 0 0 285.775 1.749 20 10 CDCDRN CC(C)CCOCCNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841023039 741264710 /nfs/dbraw/zinc/26/47/10/741264710.db2.gz OJTJXYHAIJCFDI-UHFFFAOYSA-N 0 0 293.367 1.386 20 10 CDCDRN Cc1cnn(CC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000049086577 741271861 /nfs/dbraw/zinc/27/18/61/741271861.db2.gz BDNFNIYKLLNMBH-UHFFFAOYSA-N 0 0 272.352 1.574 20 10 CDCDRN CO[C@H](Cn1cc(COc2ccc(N)cc2)nn1)C1CC1 ZINC000881383263 741274891 /nfs/dbraw/zinc/27/48/91/741274891.db2.gz CNCZJVJSNSJCIH-OAHLLOKOSA-N 0 0 288.351 1.864 20 10 CDCDRN CCOc1nc(C(=O)NCc2ccc(OC)cc2O)co1 ZINC000794376527 741303895 /nfs/dbraw/zinc/30/38/95/741303895.db2.gz IWONWHWZMHZXHH-UHFFFAOYSA-N 0 0 292.291 1.718 20 10 CDCDRN CC1(C)CN(C(=O)C2=CC(=O)CS2)C[C@H](CO)O1 ZINC000817767090 741313806 /nfs/dbraw/zinc/31/38/06/741313806.db2.gz VWSKCXBAHLMHKG-SECBINFHSA-N 0 0 271.338 1.066 20 10 CDCDRN COc1ccc(O)c(CNC(=O)c2ncc(OC)cn2)c1 ZINC000815835581 741323408 /nfs/dbraw/zinc/32/34/08/741323408.db2.gz YJTXHUFMOWHLDT-UHFFFAOYSA-N 0 0 289.291 1.129 20 10 CDCDRN COC[C@H](O)CNc1ccccc1OCC(F)F ZINC000819460675 741339134 /nfs/dbraw/zinc/33/91/34/741339134.db2.gz UZQQLDOWDIJARO-SECBINFHSA-N 0 0 261.268 1.750 20 10 CDCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCc2nnnn2CC1 ZINC000817419012 741377172 /nfs/dbraw/zinc/37/71/72/741377172.db2.gz OCQBMYDLEYBTDU-JTQLQIEISA-N 0 0 293.758 1.527 20 10 CDCDRN Cc1nccn1CC(=O)NCc1ccc(N(C)C)cc1C ZINC000837424337 741408559 /nfs/dbraw/zinc/40/85/59/741408559.db2.gz RSSSAUVWNLYUNR-UHFFFAOYSA-N 0 0 286.379 1.882 20 10 CDCDRN CC[C@H]1C[C@@H](C)CN1C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841057225 741444324 /nfs/dbraw/zinc/44/43/24/741444324.db2.gz YWBUTRZZCTUTBD-MFKMUULPSA-N 0 0 275.352 1.854 20 10 CDCDRN COc1c(O)c(CN(C)Cc2c[nH]cn2)ccc1[N+](=O)[O-] ZINC000826770702 741589245 /nfs/dbraw/zinc/58/92/45/741589245.db2.gz ZQVQQZXAEYTMID-UHFFFAOYSA-N 0 0 292.295 1.664 20 10 CDCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H]1CCO ZINC000779283731 741594258 /nfs/dbraw/zinc/59/42/58/741594258.db2.gz JNDHUPTVQHOAIF-FVOPLDGLSA-N 0 0 277.320 1.484 20 10 CDCDRN Nc1ccc(CCNC(=O)N2CCCC[C@@H]2CCO)cc1 ZINC000841960966 741651499 /nfs/dbraw/zinc/65/14/99/741651499.db2.gz YLPXNJUOQZBULY-OAHLLOKOSA-N 0 0 291.395 1.758 20 10 CDCDRN CC(C)(C)N1C[C@@H](CNC(=O)C2=CC(=O)CS2)CC1=O ZINC000856098924 741669096 /nfs/dbraw/zinc/66/90/96/741669096.db2.gz WBGQNWPFQNHIPC-SECBINFHSA-N 0 0 296.392 1.831 20 10 CDCDRN Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)cc(=O)[nH]1 ZINC000180708915 741716589 /nfs/dbraw/zinc/71/65/89/741716589.db2.gz PBWGRPFBVKLBTC-UHFFFAOYSA-N 0 0 288.303 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C[N@H+](Cc1ccc(N2CCOCC2)cc1)C(C)(C)C(=O)[O-] ZINC000833694749 604627741 /nfs/dbraw/zinc/62/77/41/604627741.db2.gz BYZXEADLNHUFPG-UHFFFAOYSA-N 0 0 292.379 1.818 20 10 CDCDRN COc1ccc(O)c(C[N@H+](C)C[C@H](C)C(=O)[O-])c1 ZINC000086807848 605232040 /nfs/dbraw/zinc/23/20/40/605232040.db2.gz MSFXQNNFVZCEIN-VIFPVBQESA-N 0 0 253.298 1.553 20 10 CDCDRN CN1CC[C@@H](C(=O)NCc2cccc(Cl)c2O)C1=O ZINC000890759086 617320763 /nfs/dbraw/zinc/32/07/63/617320763.db2.gz BTTBLPNCSMKTNT-VIFPVBQESA-N 0 0 282.727 1.140 20 10 CDCDRN O=C(NCc1ccccc1O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000892527582 617477783 /nfs/dbraw/zinc/47/77/83/617477783.db2.gz RZZQFVTZNILRRR-QXJJFIIZSA-N 0 0 274.320 1.367 20 10 CDCDRN CON(C)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850479352 617515795 /nfs/dbraw/zinc/51/57/95/617515795.db2.gz QMCGJDYCCQXSAI-SECBINFHSA-N 0 0 269.301 1.444 20 10 CDCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C=O)c[nH]1 ZINC000935945709 617597485 /nfs/dbraw/zinc/59/74/85/617597485.db2.gz HTLFYSJUAUPPGU-UHFFFAOYSA-N 0 0 293.319 1.949 20 10 CDCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CO[C@@H](C)C1 ZINC000935949258 617601400 /nfs/dbraw/zinc/60/14/00/617601400.db2.gz WLJMFCXYYCJVQV-WDEREUQCSA-N 0 0 284.352 1.919 20 10 CDCDRN Oc1cc2c(cc1CN1CCC(F)(F)C1)[C@@H](O)CO2 ZINC000776293820 617614573 /nfs/dbraw/zinc/61/45/73/617614573.db2.gz OGKITCUCUXAUIU-NSHDSACASA-N 0 0 271.263 1.659 20 10 CDCDRN C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000840999137 620756420 /nfs/dbraw/zinc/75/64/20/620756420.db2.gz CJVHEUAKYIXIOF-ZWNOBZJWSA-N 0 0 275.352 1.902 20 10 CDCDRN CN(C)c1cc(N(C)Cc2ccccc2O)ncn1 ZINC000893018948 618062378 /nfs/dbraw/zinc/06/23/78/618062378.db2.gz OANIKYJFQZWRNL-UHFFFAOYSA-N 0 0 258.325 1.885 20 10 CDCDRN CC[C@]1(O)CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000777840465 618357572 /nfs/dbraw/zinc/35/75/72/618357572.db2.gz WYHGKXJAKSQTTK-AWEZNQCLSA-N 0 0 296.323 1.963 20 10 CDCDRN CC(C)NC(=O)[C@H](C)NC(=O)C1=CC(=O)CS1 ZINC000839900477 618407006 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CDCDRN CC[C@@H](NC(=O)c1c(F)ccc(O)c1O)[C@@H]1CCCO1 ZINC000790075778 747077334 /nfs/dbraw/zinc/07/73/34/747077334.db2.gz NTYGYLFYBRHJQG-KOLCDFICSA-N 0 0 283.299 1.924 20 10 CDCDRN Nc1ccc(CCNC(=O)N(CCO)C2CCC2)cc1 ZINC000841957803 747080331 /nfs/dbraw/zinc/08/03/31/747080331.db2.gz DQGOAWSRJMPWCF-UHFFFAOYSA-N 0 0 277.368 1.368 20 10 CDCDRN C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000788268546 747124082 /nfs/dbraw/zinc/12/40/82/747124082.db2.gz FKMDQIJEOLNIQT-XCBNKYQSSA-N 0 0 286.715 1.909 20 10 CDCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[C@H]2O)cc1 ZINC000824210348 747161151 /nfs/dbraw/zinc/16/11/51/747161151.db2.gz BVZAZJIRCCHRAX-HUUCEWRRSA-N 0 0 291.395 1.855 20 10 CDCDRN COc1cccc(CNC(=O)NC[C@H]2CC[C@@H](C)O2)c1O ZINC000838744979 747262790 /nfs/dbraw/zinc/26/27/90/747262790.db2.gz MTSFDHKZRSVGAG-ZYHUDNBSSA-N 0 0 294.351 1.768 20 10 CDCDRN CSCCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779489471 747273930 /nfs/dbraw/zinc/27/39/30/747273930.db2.gz PIPMNMUIVYIRBQ-HWKANZROSA-N 0 0 253.323 1.590 20 10 CDCDRN Nc1ccc(CC(=O)Nc2ccc3c(c2)NC(=O)CO3)cc1 ZINC000237924547 747275565 /nfs/dbraw/zinc/27/55/65/747275565.db2.gz FKPXNIDYGGHOJD-UHFFFAOYSA-N 0 0 297.314 1.781 20 10 CDCDRN Nc1ccc(Cc2noc(CN3CCCC3=O)n2)cc1 ZINC000843160505 747312813 /nfs/dbraw/zinc/31/28/13/747312813.db2.gz YYDPCCOQMNFNST-UHFFFAOYSA-N 0 0 272.308 1.365 20 10 CDCDRN CCN(CC)c1ccc(CNC(=O)NOCCOC)cc1 ZINC000788879896 747429790 /nfs/dbraw/zinc/42/97/90/747429790.db2.gz GKWGYYSYXBNJHA-UHFFFAOYSA-N 0 0 295.383 1.910 20 10 CDCDRN COc1ccc(O)c(CNC(=O)C2(C(C)=O)CC2)c1 ZINC000815834996 747479297 /nfs/dbraw/zinc/47/92/97/747479297.db2.gz HSEKGZZAXYKYPW-UHFFFAOYSA-N 0 0 263.293 1.386 20 10 CDCDRN CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000876580344 747486317 /nfs/dbraw/zinc/48/63/17/747486317.db2.gz JQYXJCUSFUABSE-NSHDSACASA-N 0 0 284.306 1.771 20 10 CDCDRN CC(C)[C@H](NC(=O)c1cccc(O)c1O)c1cnn(C)c1 ZINC000885424026 747608283 /nfs/dbraw/zinc/60/82/83/747608283.db2.gz JCWOZZRPQJQGRV-ZDUSSCGKSA-N 0 0 289.335 1.958 20 10 CDCDRN CCOc1cccc(CN[C@H](COC)C(=O)OC)c1O ZINC000789576895 747612569 /nfs/dbraw/zinc/61/25/69/747612569.db2.gz SHMIWDGXWVQVND-LLVKDONJSA-N 0 0 283.324 1.069 20 10 CDCDRN Cc1ccc(O)c(CNC(=O)c2cc3n(n2)CCC3)c1 ZINC000862754644 747656901 /nfs/dbraw/zinc/65/69/01/747656901.db2.gz HZQDARAWBVQDSY-UHFFFAOYSA-N 0 0 271.320 1.773 20 10 CDCDRN CN(C(=O)[C@H]1CCc2nccn2C1)c1ccc(N)cc1 ZINC000877074381 747665325 /nfs/dbraw/zinc/66/53/25/747665325.db2.gz IITCGKQKLKQCMQ-NSHDSACASA-N 0 0 270.336 1.691 20 10 CDCDRN C[C@H](C(=O)NCCCSc1nccs1)n1cncn1 ZINC000172197572 747800503 /nfs/dbraw/zinc/80/05/03/747800503.db2.gz OPLKECHDQWWIIJ-SECBINFHSA-N 0 0 297.409 1.594 20 10 CDCDRN CN(Cc1nnc2n1CCOC2)Cc1ccccc1O ZINC000797972978 747828588 /nfs/dbraw/zinc/82/85/88/747828588.db2.gz JEELQCVDLLHDPU-UHFFFAOYSA-N 0 0 274.324 1.146 20 10 CDCDRN C[C@@H]1CSC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000804501336 747830682 /nfs/dbraw/zinc/83/06/82/747830682.db2.gz BLXZGUYMQLAXFB-DREQKGALSA-N 0 0 279.361 1.979 20 10 CDCDRN [O-]c1c(Br)cccc1CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000841026528 747848525 /nfs/dbraw/zinc/84/85/25/747848525.db2.gz GVYNZROIOMADQD-SKDRFNHKSA-N 0 0 297.196 1.948 20 10 CDCDRN Cc1nnc(C(=O)NCCc2ccc(N)cc2)s1 ZINC000857764978 747860343 /nfs/dbraw/zinc/86/03/43/747860343.db2.gz HEKVLDLVWIHECO-UHFFFAOYSA-N 0 0 262.338 1.401 20 10 CDCDRN Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)c(=O)[nH]1 ZINC000156657254 747870727 /nfs/dbraw/zinc/87/07/27/747870727.db2.gz AATSAFVLGDPAID-UHFFFAOYSA-N 0 0 288.303 1.067 20 10 CDCDRN CC[C@H]1C(=O)NCCCN1C(=O)c1ccc(C)c(O)c1O ZINC000886525464 747876496 /nfs/dbraw/zinc/87/64/96/747876496.db2.gz JZKSZAKEWHHMOM-NSHDSACASA-N 0 0 292.335 1.147 20 10 CDCDRN C[C@@H](NC(=O)[C@@H]1CCCCN(C)C1=O)c1ccccc1O ZINC000827957332 747880137 /nfs/dbraw/zinc/88/01/37/747880137.db2.gz UHUGNOYYFXTDFJ-YPMHNXCESA-N 0 0 290.363 1.828 20 10 CDCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2n[nH]cc2C)c1 ZINC000799697984 747886964 /nfs/dbraw/zinc/88/69/64/747886964.db2.gz MXYCQXALPHZKGY-SECBINFHSA-N 0 0 275.308 1.923 20 10 CDCDRN CCc1cccc(C[N@H+](C)CCNC(=O)N(C)C)c1O ZINC000848901397 747898712 /nfs/dbraw/zinc/89/87/12/747898712.db2.gz ZGXIBVUFISLWIR-UHFFFAOYSA-N 0 0 279.384 1.658 20 10 CDCDRN C[C@H]1CN(C(=O)NCCc2ccc(N)cc2)CCO1 ZINC000841955511 747908654 /nfs/dbraw/zinc/90/86/54/747908654.db2.gz FLLRTHZGVSMBKE-NSHDSACASA-N 0 0 263.341 1.242 20 10 CDCDRN COc1ccc(N2CCN(CN3CCC3=O)CC2)cc1 ZINC000857229118 747985504 /nfs/dbraw/zinc/98/55/04/747985504.db2.gz JOEDSAZNCRUIRK-UHFFFAOYSA-N 0 0 275.352 1.007 20 10 CDCDRN CCn1cnc(C(=O)NCc2cc(C)ccc2O)c1 ZINC000862754172 748068553 /nfs/dbraw/zinc/06/85/53/748068553.db2.gz SUNGNOLACZHDLL-UHFFFAOYSA-N 0 0 259.309 1.847 20 10 CDCDRN C[N@H+](Cc1ccc2ccccc2c1O)CC(C)(CO)CO ZINC000816512963 748073970 /nfs/dbraw/zinc/07/39/70/748073970.db2.gz ANJHSPSUFYGLRB-UHFFFAOYSA-N 0 0 289.375 1.968 20 10 CDCDRN O=C(N[C@@H]1CC12CCOCC2)c1cccc(O)c1O ZINC000386979734 748081696 /nfs/dbraw/zinc/08/16/96/748081696.db2.gz IDMUIXGAJOLIOS-LLVKDONJSA-N 0 0 263.293 1.397 20 10 CDCDRN CNC(=O)c1cccc(CNC(=O)Cc2ccc(N)cc2)c1 ZINC000237202833 748096026 /nfs/dbraw/zinc/09/60/26/748096026.db2.gz CXKCNIRQAKYTDJ-UHFFFAOYSA-N 0 0 297.358 1.487 20 10 CDCDRN COCCCCn1cc(COc2ccc(N)cc2)nn1 ZINC000881315111 748111319 /nfs/dbraw/zinc/11/13/19/748111319.db2.gz BFUZGQOYYMGFFE-UHFFFAOYSA-N 0 0 276.340 1.866 20 10 CDCDRN Cn1nccc1CCn1cc(COc2ccc(N)cc2)nn1 ZINC000881340946 748254405 /nfs/dbraw/zinc/25/44/05/748254405.db2.gz VJQLOTWPUOSWJE-UHFFFAOYSA-N 0 0 298.350 1.416 20 10 CDCDRN CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840825867 748278621 /nfs/dbraw/zinc/27/86/21/748278621.db2.gz BWYJUZKSNMBASB-LJUAHTATSA-N 0 0 282.296 1.365 20 10 CDCDRN COC[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@@H]1CCCO1 ZINC000883106187 748284391 /nfs/dbraw/zinc/28/43/91/748284391.db2.gz KSTFIWOHHKBVGG-OLZOCXBDSA-N 0 0 287.306 1.954 20 10 CDCDRN Nc1ccc(CC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)cc1 ZINC000832002189 748305371 /nfs/dbraw/zinc/30/53/71/748305371.db2.gz DNWUBSNVKQRKDG-HUUCEWRRSA-N 0 0 274.364 1.885 20 10 CDCDRN CC(=O)NCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000194582551 748345934 /nfs/dbraw/zinc/34/59/34/748345934.db2.gz IKSWWDIQKAEZDL-UHFFFAOYSA-N 0 0 275.352 1.039 20 10 CDCDRN COc1cccc(CN[C@@H](CCO)C(F)(F)F)c1O ZINC000886371790 748353286 /nfs/dbraw/zinc/35/32/86/748353286.db2.gz UMMJOYPNWWUMJV-JTQLQIEISA-N 0 0 279.258 1.804 20 10 CDCDRN COC[C@H]1C[C@@H](NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000889876121 748394237 /nfs/dbraw/zinc/39/42/37/748394237.db2.gz JZHORSGHULVZHG-KLPPZKSPSA-N 0 0 276.336 1.842 20 10 CDCDRN CC[C@H](NC(C)=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000864574031 748431009 /nfs/dbraw/zinc/43/10/09/748431009.db2.gz WQXDPQCASLYNPH-AWEZNQCLSA-N 0 0 277.368 1.284 20 10 CDCDRN COc1ccc(CNC(=O)[C@H](O)C2CCCCC2)c(O)c1 ZINC000794377448 748432683 /nfs/dbraw/zinc/43/26/83/748432683.db2.gz ILNFJTAGFIXBRX-OAHLLOKOSA-N 0 0 293.363 1.958 20 10 CDCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cocn1 ZINC000115281337 748575539 /nfs/dbraw/zinc/57/55/39/748575539.db2.gz PXUQCIUOPUWAKC-UHFFFAOYSA-N 0 0 259.309 1.979 20 10 CDCDRN C[C@@H](NC(=O)N[C@H](C)c1ccccc1O)c1nncn1C ZINC000864423245 748592747 /nfs/dbraw/zinc/59/27/47/748592747.db2.gz CGWPWBLJTGAOKB-NXEZZACHSA-N 0 0 289.339 1.642 20 10 CDCDRN COc1ccc(CNC(=O)c2cncc(Cl)n2)c(O)c1 ZINC000796351000 748620665 /nfs/dbraw/zinc/62/06/65/748620665.db2.gz RJTXUNNDQOUSLZ-UHFFFAOYSA-N 0 0 293.710 1.774 20 10 CDCDRN O=C1NC(=S)S/C1=C/c1cnc2ccccn12 ZINC000255116548 748782940 /nfs/dbraw/zinc/78/29/40/748782940.db2.gz OLUWOXQODLOVSV-VMPITWQZSA-N 0 0 261.331 1.823 20 10 CDCDRN COc1ccc(CNC(=O)NCc2cncn2C)c(O)c1 ZINC000811924605 748815606 /nfs/dbraw/zinc/81/56/06/748815606.db2.gz BWBCRPOCEUSOBG-UHFFFAOYSA-N 0 0 290.323 1.134 20 10 CDCDRN C[C@H](NC(=O)N1CC=C[C@H]1CO)c1ccc(N(C)C)cc1 ZINC000883627629 748840421 /nfs/dbraw/zinc/84/04/21/748840421.db2.gz KBGSVFVIICAKDH-WFASDCNBSA-N 0 0 289.379 1.756 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)Nc1cnsn1 ZINC000821429104 748862424 /nfs/dbraw/zinc/86/24/24/748862424.db2.gz HOODZJWEOMGQED-UHFFFAOYSA-N 0 0 264.310 1.908 20 10 CDCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CO1 ZINC000842673435 748880907 /nfs/dbraw/zinc/88/09/07/748880907.db2.gz LYHPKPUOIRTEAN-PSASIEDQSA-N 0 0 252.270 1.567 20 10 CDCDRN C[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1c([O-])cccc1F ZINC000886605619 748895380 /nfs/dbraw/zinc/89/53/80/748895380.db2.gz VIDICAFNYIGVOX-SRVKXCTJSA-N 0 0 283.343 1.827 20 10 CDCDRN COc1ccc(O)c(CNC(=O)C[C@H]2CCCO2)c1 ZINC000172044051 748918088 /nfs/dbraw/zinc/91/80/88/748918088.db2.gz XQZAMRDTZJXGKR-GFCCVEGCSA-N 0 0 265.309 1.586 20 10 CDCDRN C[C@H](COCC1CC1)NC(=O)NCCc1ccc(N)cc1 ZINC000846173397 748948594 /nfs/dbraw/zinc/94/85/94/748948594.db2.gz QCHDJABEPHDBTK-GFCCVEGCSA-N 0 0 291.395 1.926 20 10 CDCDRN C[C@@H]1OCC[C@H]1COC(=O)c1cccc(O)c1O ZINC000869476482 748964354 /nfs/dbraw/zinc/96/43/54/748964354.db2.gz CSKRGELXDRCAMF-IUCAKERBSA-N 0 0 252.266 1.680 20 10 CDCDRN Cn1cnc(/C=C2/SC(N3CCCCC3)=NC2=O)c1 ZINC000800792953 748968116 /nfs/dbraw/zinc/96/81/16/748968116.db2.gz ITTOAXSSMOGSPA-YRNVUSSQSA-N 0 0 276.365 1.876 20 10 CDCDRN Oc1ccccc1CN(Cc1cnon1)C[C@@H]1CCCO1 ZINC000851840931 748984809 /nfs/dbraw/zinc/98/48/09/748984809.db2.gz MCLDPDXGICVZTC-AWEZNQCLSA-N 0 0 289.335 1.956 20 10 CDCDRN Cn1cnc(/C=C/C(=O)N2CC[C@@H](O)c3ccccc32)c1 ZINC000889273370 749036031 /nfs/dbraw/zinc/03/60/31/749036031.db2.gz DSSRMFOVEHRVMG-LQYUOIDQSA-N 0 0 283.331 1.904 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)CCOC[C@@H]1CCCO1 ZINC000077258407 749058283 /nfs/dbraw/zinc/05/82/83/749058283.db2.gz RFTRCUQIGIWDNA-AWEZNQCLSA-N 0 0 293.363 1.936 20 10 CDCDRN CN(CC(=O)NCc1ccc(O)c(O)c1)c1ccccc1 ZINC000778922918 749070840 /nfs/dbraw/zinc/07/08/40/749070840.db2.gz MHUARZSOESPFEM-UHFFFAOYSA-N 0 0 286.331 1.850 20 10 CDCDRN CN(C)c1ccc(C[NH2+][C@H](C(=O)[O-])c2ccnn2C)cc1 ZINC000819164805 749298745 /nfs/dbraw/zinc/29/87/45/749298745.db2.gz VFLMTBQJOKNRAI-AWEZNQCLSA-N 0 0 288.351 1.402 20 10 CDCDRN CCCCN(CC(=O)OCC)Cc1cc(O)c(O)c(O)c1 ZINC001233015362 912674305 /nfs/dbraw/zinc/67/43/05/912674305.db2.gz LMSHQPKPXZDKHN-UHFFFAOYSA-N 0 0 297.351 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CCC[C@H](O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000931152054 750911419 /nfs/dbraw/zinc/91/14/19/750911419.db2.gz FCORKCJZZILZOX-HNNXBMFYSA-N 0 0 276.380 1.846 20 10 CDCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(=O)[nH]c1 ZINC000186409214 751043014 /nfs/dbraw/zinc/04/30/14/751043014.db2.gz FIODCSNVUAHYOV-VIFPVBQESA-N 0 0 288.303 1.559 20 10 CDCDRN CC(=O)Nc1nc(C(=O)NCc2ccccc2O)cs1 ZINC000701130293 751053410 /nfs/dbraw/zinc/05/34/10/751053410.db2.gz PNNJOTHHRWLZEV-UHFFFAOYSA-N 0 0 291.332 1.737 20 10 CDCDRN CON(C)CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000853244351 751065344 /nfs/dbraw/zinc/06/53/44/751065344.db2.gz JATXPVVPRJHTPM-UHFFFAOYSA-N 0 0 280.372 1.045 20 10 CDCDRN CC[C@@H](CO)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000779750432 751067968 /nfs/dbraw/zinc/06/79/68/751067968.db2.gz BZJJUKJFZZVMMH-NSHDSACASA-N 0 0 268.332 1.526 20 10 CDCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H]1CO ZINC000304264012 751087861 /nfs/dbraw/zinc/08/78/61/751087861.db2.gz UQHKRUGSTNQLBN-OAHLLOKOSA-N 0 0 291.395 1.727 20 10 CDCDRN CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000867504166 751090459 /nfs/dbraw/zinc/09/04/59/751090459.db2.gz SKKHRBAXYUDPQI-XHDPSFHLSA-N 0 0 291.395 1.845 20 10 CDCDRN CC1(C)C[C@]1(C)CNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000883614166 751103113 /nfs/dbraw/zinc/10/31/13/751103113.db2.gz AORRCBKGRGEHFH-OAHLLOKOSA-N 0 0 275.352 1.760 20 10 CDCDRN C[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@@]1(C)CO ZINC000703710701 751163775 /nfs/dbraw/zinc/16/37/75/751163775.db2.gz SMQSNIXAAJIJEU-OTYXRUKQSA-N 0 0 265.309 1.188 20 10 CDCDRN C[S@](=O)CCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162664882 751264794 /nfs/dbraw/zinc/26/47/94/751264794.db2.gz XTFBZENVRMTYHW-MRXNPFEDSA-N 0 0 261.774 1.904 20 10 CDCDRN CCOCCS(=O)(=O)N(C)Cc1ccccc1O ZINC000159636089 751334788 /nfs/dbraw/zinc/33/47/88/751334788.db2.gz KACPCDNHTXLWAM-UHFFFAOYSA-N 0 0 273.354 1.190 20 10 CDCDRN C[C@@H]1CCCN1S(=O)(=O)NCCc1ccc(N)cc1 ZINC000842822248 752324564 /nfs/dbraw/zinc/32/45/64/752324564.db2.gz AYGLFKTUYRCXQX-LLVKDONJSA-N 0 0 283.397 1.130 20 10 CDCDRN 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CC[C@H]1COCCN1C(=O)c1ccc(C)c(O)c1O ZINC000182456731 752814886 /nfs/dbraw/zinc/81/48/86/752814886.db2.gz VSYKMTFPPSWCSX-JTQLQIEISA-N 0 0 265.309 1.657 20 10 CDCDRN C[C@@H]1C[C@@H](C(=O)NCc2ccc(N(C)C)c(F)c2)CO1 ZINC000784077765 752864095 /nfs/dbraw/zinc/86/40/95/752864095.db2.gz XWEQNGPUOUXLBP-ZYHUDNBSSA-N 0 0 280.343 1.933 20 10 CDCDRN N#Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)c[nH]1 ZINC000181297681 752869837 /nfs/dbraw/zinc/86/98/37/752869837.db2.gz HTSVLZPJFWPOJG-UHFFFAOYSA-N 0 0 271.276 1.270 20 10 CDCDRN CN(CC[NH2+]Cc1cc(F)cc(F)c1[O-])CC(F)F ZINC000883191697 752881002 /nfs/dbraw/zinc/88/10/02/752881002.db2.gz HJOYWELFWVOFGV-UHFFFAOYSA-N 0 0 280.265 1.957 20 10 CDCDRN C[N@@H+]1CCN(Cc2cc(Cl)cc(F)c2[O-])[C@@H](CO)C1 ZINC000877644928 752887675 /nfs/dbraw/zinc/88/76/75/752887675.db2.gz VVUYRSJYCQSKKI-LLVKDONJSA-N 0 0 288.750 1.293 20 10 CDCDRN CN1CC[C@@](O)(C[NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000702602006 752926178 /nfs/dbraw/zinc/92/61/78/752926178.db2.gz FGRGQSXTSVPGGZ-CYBMUJFWSA-N 0 0 270.760 1.202 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CDCDRN COc1ccc(CNC(=O)NOCC2CCC2)c(O)c1 ZINC000824092584 753217348 /nfs/dbraw/zinc/21/73/48/753217348.db2.gz CLEUWDHNJMUQQU-UHFFFAOYSA-N 0 0 280.324 1.932 20 10 CDCDRN CSCCN=C1NN=C(c2cccn2C)CS1 ZINC000180255949 753221133 /nfs/dbraw/zinc/22/11/33/753221133.db2.gz IRQLZRGDPQXAKH-UHFFFAOYSA-N 0 0 268.411 1.785 20 10 CDCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](C)OC)c1 ZINC000852536771 753300665 /nfs/dbraw/zinc/30/06/65/753300665.db2.gz IAMAEJJWLSRFQN-ZJUUUORDSA-N 0 0 282.340 1.796 20 10 CDCDRN C[C@@H]1C[C@H](N2C(=O)CN(Cc3ccccc3O)C2=O)CO1 ZINC000843314952 753311583 /nfs/dbraw/zinc/31/15/83/753311583.db2.gz TWTOXOQYXBRBQL-PWSUYJOCSA-N 0 0 290.319 1.334 20 10 CDCDRN COC[C@H](NCc1cc(Cl)c(C)cc1O)C(=O)OC ZINC000825666476 753328391 /nfs/dbraw/zinc/32/83/91/753328391.db2.gz KVTHCEMAJSRUCM-NSHDSACASA-N 0 0 287.743 1.632 20 10 CDCDRN C[C@@H]([NH2+]CCO)c1cc(Br)cc(F)c1[O-] ZINC000134910871 753331535 /nfs/dbraw/zinc/33/15/35/753331535.db2.gz FSPOTOMGJQAZGY-ZCFIWIBFSA-N 0 0 278.121 1.937 20 10 CDCDRN CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000170671918 753359822 /nfs/dbraw/zinc/35/98/22/753359822.db2.gz LBXKMGNCGFVULE-UHFFFAOYSA-N 0 0 263.341 1.593 20 10 CDCDRN COCC1(S(=O)(=O)Nc2ccc(O)cc2)CC1 ZINC000882659220 753388223 /nfs/dbraw/zinc/38/82/23/753388223.db2.gz VOSOQQQUGGSEAY-UHFFFAOYSA-N 0 0 257.311 1.313 20 10 CDCDRN O=C([O-])c1cnn2c1[nH]c(C[NH+]1CCCCC1)cc2=O ZINC000846259850 753425912 /nfs/dbraw/zinc/42/59/12/753425912.db2.gz BEWGBCUNXHAIPN-UHFFFAOYSA-N 0 0 276.296 1.119 20 10 CDCDRN COC(=O)[C@@H](C)n1cc(COc2ccc(N)cc2)nn1 ZINC000864644438 753477977 /nfs/dbraw/zinc/47/79/77/753477977.db2.gz GEJAUABWHYYELK-SECBINFHSA-N 0 0 276.296 1.173 20 10 CDCDRN COc1ccc(CNC(=O)c2n[nH]c3c2CCC3)c(O)c1 ZINC000794378146 753499894 /nfs/dbraw/zinc/49/98/94/753499894.db2.gz CZRQPSZYFODXSG-UHFFFAOYSA-N 0 0 287.319 1.543 20 10 CDCDRN CC[C@H](COC)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000120210597 753526201 /nfs/dbraw/zinc/52/62/01/753526201.db2.gz DTFFFILCTBVHMK-SNVBAGLBSA-N 0 0 254.286 1.815 20 10 CDCDRN 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357291714 /nfs/dbraw/zinc/29/17/14/357291714.db2.gz UGQXSBGGNSOWRA-PRTAWLFOSA-N 0 0 275.304 1.547 20 10 CDCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCC1CCOCC1 ZINC000181002385 357301830 /nfs/dbraw/zinc/30/18/30/357301830.db2.gz KHUFSPHSKABYPC-DUXPYHPUSA-N 0 0 277.320 1.654 20 10 CDCDRN COC[C@H]1CN(Cc2cc(F)ccc2O)CCO1 ZINC000180175047 357249927 /nfs/dbraw/zinc/24/99/27/357249927.db2.gz RZQLHSRWYHWELY-GFCCVEGCSA-N 0 0 255.289 1.379 20 10 CDCDRN COc1cc(O)c(C[NH2+]C[C@@H]2CCCOC2)cc1OC ZINC000180341855 357263393 /nfs/dbraw/zinc/26/33/93/357263393.db2.gz YGUQOTNYLXFDIY-NSHDSACASA-N 0 0 281.352 1.926 20 10 CDCDRN C[C@@H]1CC(=O)NCCN1Cc1ccc(N(C)C)c(F)c1 ZINC000367671083 358218579 /nfs/dbraw/zinc/21/85/79/358218579.db2.gz NZVOUMIJUGZHHA-LLVKDONJSA-N 0 0 279.359 1.602 20 10 CDCDRN [O-]c1c(Cl)cccc1C[N@H+]1CCOC[C@@H](O)C1 ZINC000294835966 199205129 /nfs/dbraw/zinc/20/51/29/199205129.db2.gz QMLLZKMZZCDSMX-JTQLQIEISA-N 0 0 257.717 1.239 20 10 CDCDRN C[C@H]1NC(=O)N(Cc2ccc(N(C)C)c(F)c2)C1=O ZINC000272395400 291186636 /nfs/dbraw/zinc/18/66/36/291186636.db2.gz KDHXICASDOZVRT-MRVPVSSYSA-N 0 0 265.288 1.332 20 10 CDCDRN COCC[NH+](CCOC)Cc1cccc(C)c1O ZINC000124508857 360375149 /nfs/dbraw/zinc/37/51/49/360375149.db2.gz KYIBCRFIQZTHHB-UHFFFAOYSA-N 0 0 253.342 1.795 20 10 CDCDRN CN(C)c1ccc(CN2CCS(=O)(=O)CC2)cc1F ZINC000131168356 361055050 /nfs/dbraw/zinc/05/50/50/361055050.db2.gz WSVCSRLKRFGQHQ-UHFFFAOYSA-N 0 0 286.372 1.122 20 10 CDCDRN C[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1ccc(F)c(F)c1[O-] ZINC000278636940 299323162 /nfs/dbraw/zinc/32/31/62/299323162.db2.gz DDLYCFSKWRCKGO-UINNMSKDSA-N 0 0 287.306 1.861 20 10 CDCDRN CC[C@@H]1CC[C@H](C(=O)NCc2cccc(OC)c2O)O1 ZINC000268221797 364007570 /nfs/dbraw/zinc/00/75/70/364007570.db2.gz JPMKMFVJIVGATB-DGCLKSJQSA-N 0 0 279.336 1.975 20 10 CDCDRN CC(C)C(=O)N1CCN(Cc2cccc(F)c2O)CC1 ZINC000272306394 365182517 /nfs/dbraw/zinc/18/25/17/365182517.db2.gz QRYLOFBWPFYTRP-UHFFFAOYSA-N 0 0 280.343 1.832 20 10 CDCDRN CC(C)NS(=O)(=O)NCc1ccc(N2CCCC2)cc1 ZINC000272239690 365146233 /nfs/dbraw/zinc/14/62/33/365146233.db2.gz WFSBPTMCQILKKD-UHFFFAOYSA-N 0 0 297.424 1.619 20 10 CDCDRN C[C@@H]1NC(=O)N(Cc2ccc3c(c2)CCCN3C)C1=O ZINC000272450923 365244088 /nfs/dbraw/zinc/24/40/88/365244088.db2.gz PEJGFEWVOXJBKM-JTQLQIEISA-N 0 0 273.336 1.509 20 10 CDCDRN COCC1(O)CCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000272999177 365462377 /nfs/dbraw/zinc/46/23/77/365462377.db2.gz OFYDIZRGAKMEFW-UHFFFAOYSA-N 0 0 295.335 1.020 20 10 CDCDRN COC(=O)CSCCNC(=O)c1ccc(C)c(O)c1O ZINC000272887237 365433224 /nfs/dbraw/zinc/43/32/24/365433224.db2.gz YSOAUTXEOFDRLV-UHFFFAOYSA-N 0 0 299.348 1.042 20 10 CDCDRN CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273377004 365489805 /nfs/dbraw/zinc/48/98/05/365489805.db2.gz HKFOSTNVAMZSPD-VHSXEESVSA-N 0 0 294.351 1.354 20 10 CDCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](C)n1cncn1 ZINC000172205804 365492914 /nfs/dbraw/zinc/49/29/14/365492914.db2.gz NRRMXHFVADPJAS-LBPRGKRZSA-N 0 0 288.351 1.984 20 10 CDCDRN CCOC(=O)[C@H](C)[C@@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC000273585709 365510637 /nfs/dbraw/zinc/51/06/37/365510637.db2.gz ZSIXPPZJODRUQV-NXEZZACHSA-N 0 0 295.335 1.724 20 10 CDCDRN CCOc1ccc(O)c(CN2CC[C@@H](S(C)(=O)=O)C2)c1 ZINC000282436398 367884802 /nfs/dbraw/zinc/88/48/02/367884802.db2.gz FQQBNZZIBKYGRA-CYBMUJFWSA-N 0 0 299.392 1.410 20 10 CDCDRN CCOC(=O)[C@@H](C)[C@H](C)NC(=O)c1cccc(O)c1O ZINC000286066298 368690731 /nfs/dbraw/zinc/69/07/31/368690731.db2.gz MDNWLCKXOHQNEO-IUCAKERBSA-N 0 0 281.308 1.415 20 10 CDCDRN COCC(C)(C)N(C)C(=O)c1ccc(C)c(O)c1O ZINC000294114443 370950178 /nfs/dbraw/zinc/95/01/78/370950178.db2.gz NNBRTKGGNNNUDP-UHFFFAOYSA-N 0 0 267.325 1.903 20 10 CDCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cnnn2C)c1 ZINC000287162699 369107548 /nfs/dbraw/zinc/10/75/48/369107548.db2.gz BUQRKRKGFIWRCD-SECBINFHSA-N 0 0 290.323 1.158 20 10 CDCDRN COc1ccc(N2CCN(c3nnc(C)o3)CC2)cc1F ZINC000288082059 369404589 /nfs/dbraw/zinc/40/45/89/369404589.db2.gz ZISHVZXESXJAAD-UHFFFAOYSA-N 0 0 292.314 1.852 20 10 CDCDRN Cc1cc(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)ccc1N(C)C ZINC000292677735 370372048 /nfs/dbraw/zinc/37/20/48/370372048.db2.gz BPNOONYBPGGFLZ-IUODEOHRSA-N 0 0 291.395 1.136 20 10 CDCDRN CCN(C)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273384056 284340489 /nfs/dbraw/zinc/34/04/89/284340489.db2.gz IZHCIRZBFSCKTO-SNVBAGLBSA-N 0 0 267.329 1.903 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CCn2cncc2C1 ZINC000135970954 375745885 /nfs/dbraw/zinc/74/58/85/375745885.db2.gz XNNQRVSCNAOUCG-LBPRGKRZSA-N 0 0 285.347 1.810 20 10 CDCDRN COCCOC[C@H](O)CN(C)c1ccc(OC)c(F)c1 ZINC000296682840 378743735 /nfs/dbraw/zinc/74/37/35/378743735.db2.gz BRBMGMFYKGTSAJ-GFCCVEGCSA-N 0 0 287.331 1.294 20 10 CDCDRN CC[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1ccc(F)cc1[O-] ZINC000295930631 378703604 /nfs/dbraw/zinc/70/36/04/378703604.db2.gz KSVJAMYMWURCTM-NQBHXWOUSA-N 0 0 255.289 1.332 20 10 CDCDRN OC[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)[C@H]1CCOC1 ZINC000296444653 378721376 /nfs/dbraw/zinc/72/13/76/378721376.db2.gz MUULYGPEWLEGFQ-IHRRRGAJSA-N 0 0 277.364 1.614 20 10 CDCDRN COCC1(C(=O)N2CCOc3cc(N(C)C)ccc32)CC1 ZINC000356016026 533115118 /nfs/dbraw/zinc/11/51/18/533115118.db2.gz SNYUIODNARNKOH-UHFFFAOYSA-N 0 0 290.363 1.905 20 10 CDCDRN COC[C@H](C)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000075594750 390675436 /nfs/dbraw/zinc/67/54/36/390675436.db2.gz VWORAGPKVPBEOC-ZDUSSCGKSA-N 0 0 264.369 1.852 20 10 CDCDRN COCCCN1CCOc2cc(N(C)C)ccc21 ZINC000119956136 390861474 /nfs/dbraw/zinc/86/14/74/390861474.db2.gz GWZGAYCYPZHTJR-UHFFFAOYSA-N 0 0 250.342 1.988 20 10 CDCDRN CC[C@H](COC)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000121345886 390884006 /nfs/dbraw/zinc/88/40/06/390884006.db2.gz RYPBVXDXVGUWBD-CYBMUJFWSA-N 0 0 279.384 1.977 20 10 CDCDRN CC[C@H](SC)C(=O)NCCc1ccc(O)c(O)c1 ZINC000122111031 390897364 /nfs/dbraw/zinc/89/73/64/390897364.db2.gz WCAHAAQADVJKNU-LBPRGKRZSA-N 0 0 269.366 1.898 20 10 CDCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@]12CCOC2 ZINC000373479386 391120015 /nfs/dbraw/zinc/12/00/15/391120015.db2.gz JBYGJKNOJKPAJM-XAGWURHQSA-N 0 0 291.347 1.572 20 10 CDCDRN C[C@H](CS(C)(=O)=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000176438336 391152417 /nfs/dbraw/zinc/15/24/17/391152417.db2.gz GQFWLAVYNHSJFQ-LLVKDONJSA-N 0 0 298.408 1.050 20 10 CDCDRN CC1(C)COCCN1CCNC(=O)Cc1ccc(N)cc1 ZINC000178762768 391191586 /nfs/dbraw/zinc/19/15/86/391191586.db2.gz QKHFWOUYNUPFCN-UHFFFAOYSA-N 0 0 291.395 1.038 20 10 CDCDRN C[C@@H](NC(=O)C1CCCC1)C(=O)Nc1ccc(N)cc1 ZINC000269109823 391238909 /nfs/dbraw/zinc/23/89/09/391238909.db2.gz DNYZAEWYRHKDAB-SNVBAGLBSA-N 0 0 275.352 1.902 20 10 CDCDRN Cc1noc(CCCC(=O)NCc2ccc(O)c(O)c2)n1 ZINC000269109635 391239105 /nfs/dbraw/zinc/23/91/05/391239105.db2.gz QYTKUNLQEXFYIP-UHFFFAOYSA-N 0 0 291.307 1.428 20 10 CDCDRN C[C@@](O)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F ZINC000270460552 391275597 /nfs/dbraw/zinc/27/55/97/391275597.db2.gz FMLAYVRLEXDVRV-SNVBAGLBSA-N 0 0 294.229 1.703 20 10 CDCDRN Cc1cccc(CN2CCOC[C@]23CCOC3)c1O ZINC000195013568 391374204 /nfs/dbraw/zinc/37/42/04/391374204.db2.gz BYWVVWRTHJHGNE-OAHLLOKOSA-N 0 0 263.337 1.692 20 10 CDCDRN CN(C[C@@H]1CCCOC1)C(=O)Cc1ccc(N)cc1 ZINC000107064208 391760582 /nfs/dbraw/zinc/76/05/82/391760582.db2.gz YXUZNAQZEDPXTJ-ZDUSSCGKSA-N 0 0 262.353 1.696 20 10 CDCDRN CCc1nc(C)c(CNC(=O)c2cccc(O)c2O)o1 ZINC000294036134 392439208 /nfs/dbraw/zinc/43/92/08/392439208.db2.gz OGDPSVLZJUPRLR-UHFFFAOYSA-N 0 0 276.292 1.887 20 10 CDCDRN COc1ccc(N(C)C(=O)C=Cc2c[nH]cn2)cn1 ZINC000493610091 393216191 /nfs/dbraw/zinc/21/61/91/393216191.db2.gz JIKNENDWXHGDAY-UTCJRWHESA-N 0 0 258.281 1.490 20 10 CDCDRN C[C@@H]([NH2+]CCn1ccnc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273407045 287030688 /nfs/dbraw/zinc/03/06/88/287030688.db2.gz OQSMHVNPVQJWRD-SNVBAGLBSA-N 0 0 276.296 1.848 20 10 CDCDRN CC[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@H](C)[S@@]1=O ZINC000287211144 287175387 /nfs/dbraw/zinc/17/53/87/287175387.db2.gz IITIWSCIFICKPH-DCLVOVMVSA-N 0 0 297.376 1.469 20 10 CDCDRN CCN1C(=O)/C(=C/c2ccnn2C)SC1=S ZINC000020608706 171267523 /nfs/dbraw/zinc/26/75/23/171267523.db2.gz LYYHWCBVZWVWDR-VURMDHGXSA-N 0 0 253.352 1.641 20 10 CDCDRN C[C@@H](O)CCN(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181153430 261887885 /nfs/dbraw/zinc/88/78/85/261887885.db2.gz FTHHDPDXBRBZRN-DFVUYQKZSA-N 0 0 265.309 1.340 20 10 CDCDRN CC[C@H](CCO)CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181182486 261888166 /nfs/dbraw/zinc/88/81/66/261888166.db2.gz BVKCEOHCNDYRJN-DUMNWFOQSA-N 0 0 279.336 1.636 20 10 CDCDRN COc1cc(O)c(CNCC(F)(F)CO)cc1OC ZINC000185661907 262065503 /nfs/dbraw/zinc/06/55/03/262065503.db2.gz ZDUUCVUNZAWCPU-UHFFFAOYSA-N 0 0 277.267 1.127 20 10 CDCDRN CC(C)(C)[C@H](CCO)NC(=O)c1cccc(O)c1O ZINC000185906212 262310721 /nfs/dbraw/zinc/31/07/21/262310721.db2.gz KSOAGHYVPWDCRW-NSHDSACASA-N 0 0 267.325 1.625 20 10 CDCDRN O=S(=O)(C1CC1)N1CCN(Cc2ccccc2O)CC1 ZINC000529640374 271012488 /nfs/dbraw/zinc/01/24/88/271012488.db2.gz MHDQIJVGKIGAMW-UHFFFAOYSA-N 0 0 296.392 1.002 20 10 CDCDRN Cc1ccc(C(=O)N2CC[C@H]([C@@H](C)O)C2)c(O)c1O ZINC000272954015 328202031 /nfs/dbraw/zinc/20/20/31/328202031.db2.gz IRKVCCCWXVXYDK-ZJUUUORDSA-N 0 0 265.309 1.249 20 10 CDCDRN O=C(C=Cc1ccc(O)c(O)c1)N[C@@H]1CCc2c[nH]nc2C1 ZINC000378544762 329054284 /nfs/dbraw/zinc/05/42/84/329054284.db2.gz SVQNKOQDUBSBLU-RDNKVPPGSA-N 0 0 299.330 1.508 20 10 CDCDRN COc1cccc(CN2CCOC[C@H]2c2ncon2)c1O ZINC000360025807 329070048 /nfs/dbraw/zinc/07/00/48/329070048.db2.gz ZZJFBQCUWCHXDR-NSHDSACASA-N 0 0 291.307 1.357 20 10 CDCDRN Cc1ccc(O)c(CNC(=O)c2noc3c2COCC3)c1 ZINC000527612349 330269345 /nfs/dbraw/zinc/26/93/45/330269345.db2.gz FGSVJEVDEKBICI-UHFFFAOYSA-N 0 0 288.303 1.691 20 10 CDCDRN COc1ccc(N(C)C(=O)/C=C\c2cncc(O)c2)cn1 ZINC000492438040 332397425 /nfs/dbraw/zinc/39/74/25/332397425.db2.gz ISVLLWJYLZGGTC-UTCJRWHESA-N 0 0 285.303 1.867 20 10 CDCDRN Cc1c(/C=C/C(=O)N2CCOc3ccncc32)cnn1C ZINC000127369314 333627424 /nfs/dbraw/zinc/62/74/24/333627424.db2.gz XGWHYFGEHGTUSA-ONEGZZNKSA-N 0 0 284.319 1.562 20 10 CDCDRN COc1ccc(O)c([C@H](C)N[C@@H](C)c2ncn(C)n2)c1 ZINC000275639451 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FQJSFSWQGQNHDW-UHFFFAOYSA-N 0 0 257.311 1.695 20 10 CDCDRN CC[C@@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)C(=O)OC ZINC000790788404 1162171984 /nfs/dbraw/zinc/17/19/84/1162171984.db2.gz WCAHPTPZCWTAFA-KOLCDFICSA-N 0 0 295.335 1.777 20 10 CDCDRN CCO[C@H]1COCC[C@H]1NC(=O)c1cccc(O)c1O ZINC000790933734 1162176498 /nfs/dbraw/zinc/17/64/98/1162176498.db2.gz XYGJNPLKLPKOBK-PWSUYJOCSA-N 0 0 281.308 1.022 20 10 CDCDRN C[C@@H]1CN(C(=O)c2cccc(O)c2O)[C@H](C)CN1C ZINC000790912154 1162176517 /nfs/dbraw/zinc/17/65/17/1162176517.db2.gz YVYHTNQCEAVULC-NXEZZACHSA-N 0 0 264.325 1.262 20 10 CDCDRN C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@@H](C)S1=O ZINC000792193248 1162267368 /nfs/dbraw/zinc/26/73/68/1162267368.db2.gz UJLVRKREZNDLSM-NXEZZACHSA-N 0 0 297.376 1.462 20 10 CDCDRN COc1cc(CN2CCn3cncc3C2)c(O)cc1C ZINC000811787018 1163537195 /nfs/dbraw/zinc/53/71/95/1163537195.db2.gz DVWZDOPVYVSIQY-UHFFFAOYSA-N 0 0 273.336 1.922 20 10 CDCDRN COc1ccc(C[NH2+][C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]23)c(O)c1 ZINC001607260014 1164138100 /nfs/dbraw/zinc/13/81/00/1164138100.db2.gz LXLNXFPPXSCFAD-CDGCEXEKSA-N 0 0 291.347 1.990 20 10 CDCDRN Cc1cc(Cl)cc(CN2CCC[NH2+]C[C@H]2C(=O)[O-])c1O ZINC001607655770 1164262138 /nfs/dbraw/zinc/26/21/38/1164262138.db2.gz IUZWAQAEHAIUQY-LBPRGKRZSA-N 0 0 298.770 1.603 20 10 CDCDRN CN(C)c1ccc(CN(C)C(=O)COC(F)F)cc1 ZINC000794629913 1164527344 /nfs/dbraw/zinc/52/73/44/1164527344.db2.gz UPCAHZZENJVQKD-UHFFFAOYSA-N 0 0 272.295 1.950 20 10 CDCDRN CC1=NO[C@@H](CNC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000866047992 1164726863 /nfs/dbraw/zinc/72/68/63/1164726863.db2.gz NPCFZYHADWUEAD-CQSZACIVSA-N 0 0 290.367 1.717 20 10 CDCDRN CC1=NN(C2=NS(=O)(=O)c3ccccc32)C(=O)[C@H](C)C1 ZINC000871947049 1165361885 /nfs/dbraw/zinc/36/18/85/1165361885.db2.gz NWYDZMAFWIFEDE-MRVPVSSYSA-N 0 0 291.332 1.380 20 10 CDCDRN Nc1ccc(CC(=O)N2CCc3ncccc3C2)cc1 ZINC000037643323 1165781830 /nfs/dbraw/zinc/78/18/30/1165781830.db2.gz FIURCXIKZCASSE-UHFFFAOYSA-N 0 0 267.332 1.791 20 10 CDCDRN COCCCn1cc(C(=O)Nc2ccc(N)cc2)cn1 ZINC000876504629 1165856963 /nfs/dbraw/zinc/85/69/63/1165856963.db2.gz RKOCXSZNUNCXIM-UHFFFAOYSA-N 0 0 274.324 1.754 20 10 CDCDRN Cc1nc([C@H]2COCCN2Cc2ccc(C)cc2O)no1 ZINC000877176487 1165988380 /nfs/dbraw/zinc/98/83/80/1165988380.db2.gz QJKAXYAURJRTEG-CYBMUJFWSA-N 0 0 289.335 1.966 20 10 CDCDRN Cc1ccc(CN2CCn3cnnc3[C@H]2C)c(O)c1 ZINC000877474232 1166044315 /nfs/dbraw/zinc/04/43/15/1166044315.db2.gz XQKUNQQEPDCZTQ-LLVKDONJSA-N 0 0 258.325 1.869 20 10 CDCDRN Cc1cc(CNC(=O)C2(O)C[NH2+]C2)c(C)n1-c1ccccc1 ZINC001574134629 1170892115 /nfs/dbraw/zinc/89/21/15/1170892115.db2.gz MJBXILKKJDXLRH-UHFFFAOYSA-N 0 0 299.374 1.045 20 10 CDCDRN Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NCc1ccccc1O ZINC001591782704 1173702489 /nfs/dbraw/zinc/70/24/89/1173702489.db2.gz JFFZCDBCLAEBGJ-UHFFFAOYSA-N 0 0 298.306 1.139 20 10 CDCDRN O=C([O-])C1(O)C[NH+](Cc2ccc3ccccc3c2O)C1 ZINC001601726698 1174970959 /nfs/dbraw/zinc/97/09/59/1174970959.db2.gz ZBAXQCJTRNFYRC-UHFFFAOYSA-N 0 0 273.288 1.177 20 10 CDCDRN CC[C@H]([NH2+]CCOC)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001604052961 1175735172 /nfs/dbraw/zinc/73/51/72/1175735172.db2.gz ADXZAULXJDLGGT-NSHDSACASA-N 0 0 277.328 1.259 20 10 CDCDRN CCC(CO)(CO)NC(=O)/C=C/c1ccc(N(C)C)cc1 ZINC000230905001 1178158869 /nfs/dbraw/zinc/15/88/69/1178158869.db2.gz OCPYXZSPKAQPDU-JXMROGBWSA-N 0 0 292.379 1.015 20 10 CDCDRN Nc1ccc(NC(=O)C(=O)N2CC[C@H]3C[C@H]3C2)cc1 ZINC000850850965 1164441930 /nfs/dbraw/zinc/44/19/30/1164441930.db2.gz LOWKCCXRXMYMFI-UWVGGRQHSA-N 0 0 259.309 1.076 20 10 CDCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2C[C@@H](CO)C2)c1 ZINC000866416346 1164779212 /nfs/dbraw/zinc/77/92/12/1164779212.db2.gz SQVPTAUCBHEQEE-JBLDHEPKSA-N 0 0 279.336 1.600 20 10 CDCDRN CN(Cc1ccccc1O)S(=O)(=O)CCn1cccn1 ZINC000866835262 1164828259 /nfs/dbraw/zinc/82/82/59/1164828259.db2.gz WNVQFPWXHZOGBW-UHFFFAOYSA-N 0 0 295.364 1.051 20 10 CDCDRN CC(C)NC(=O)CC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001609707044 1165050458 /nfs/dbraw/zinc/05/04/58/1165050458.db2.gz GKGUHHKDTWCJIV-SNVBAGLBSA-N 0 0 294.351 1.656 20 10 CDCDRN COc1cc(C)cc(C[N@H+](CC(=O)[O-])C2CC2)c1O ZINC001610293331 1165285861 /nfs/dbraw/zinc/28/58/61/1165285861.db2.gz MSYSLPMHNNCWNP-UHFFFAOYSA-N 0 0 265.309 1.758 20 10 CDCDRN CN(Cc1cc(=O)c(O)co1)Cc1ccccc1O ZINC000124740937 1165595962 /nfs/dbraw/zinc/59/59/62/1165595962.db2.gz URNFQKYCAOBCOF-UHFFFAOYSA-N 0 0 261.277 1.683 20 10 CDCDRN COCCCNC(=O)NCc1cc(OC)ccc1O ZINC000172064119 912282326 /nfs/dbraw/zinc/28/23/26/912282326.db2.gz NFOIYSBBILUHAP-UHFFFAOYSA-N 0 0 268.313 1.237 20 10 CDCDRN COc1cncc(N(CCO)c2ccc(N)cc2)c1 ZINC001174090032 912993706 /nfs/dbraw/zinc/99/37/06/912993706.db2.gz HMMBZCILAPKOSL-UHFFFAOYSA-N 0 0 259.309 1.803 20 10 CDCDRN CS(=O)(=O)N(c1ccc(N)cc1)c1cccc(CO)c1 ZINC001175512443 913645107 /nfs/dbraw/zinc/64/51/07/913645107.db2.gz CMGGEXJDSAXPGM-UHFFFAOYSA-N 0 0 292.360 1.859 20 10 CDCDRN C[C@H](C(=O)NCc1cccc(Cl)c1O)[C@H]1CCC(=O)N1 ZINC000890761467 894776109 /nfs/dbraw/zinc/77/61/09/894776109.db2.gz SVJONQIOSSQVFV-GZMMTYOYSA-N 0 0 296.754 1.577 20 10 CDCDRN CC(=O)C[C@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588408577 895895099 /nfs/dbraw/zinc/89/50/99/895895099.db2.gz HLYSXTRQONHJCJ-RNEXMXFGSA-N 0 0 263.293 1.595 20 10 CDCDRN O=C1CCCN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140663517 897584113 /nfs/dbraw/zinc/58/41/13/897584113.db2.gz HUBRPYVMCDOHQW-UHFFFAOYSA-N 0 0 292.354 1.827 20 10 CDCDRN CCOC(=O)N1CCN(Cc2ccc(O)c(C)c2O)CC1 ZINC001140748722 898172622 /nfs/dbraw/zinc/17/26/22/898172622.db2.gz IWUSFJFIPNGFFC-UHFFFAOYSA-N 0 0 294.351 1.680 20 10 CDCDRN [NH3+]C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC000164668547 898678529 /nfs/dbraw/zinc/67/85/29/898678529.db2.gz HUCUIVQPUZWVCW-JTQLQIEISA-N 0 0 291.178 1.859 20 10 CDCDRN O=C(N[C@@H]1CN(c2ccccc2)C1=O)C1=CC(=O)CS1 ZINC000782877472 898698699 /nfs/dbraw/zinc/69/86/99/898698699.db2.gz OIQWNXYKMSTHDJ-LLVKDONJSA-N 0 0 288.328 1.599 20 10 CDCDRN COc1cc(O)c(CN2CC(F)(F)C2)c(OC)c1 ZINC001141031297 899338372 /nfs/dbraw/zinc/33/83/72/899338372.db2.gz BWAOSNFYWXGTAB-UHFFFAOYSA-N 0 0 259.252 1.860 20 10 CDCDRN O=C(c1c(F)ccc(O)c1O)N1CCC[C@@H](CO)CC1 ZINC000295586991 899440990 /nfs/dbraw/zinc/44/09/90/899440990.db2.gz LXOFHVKNCWTJBU-SECBINFHSA-N 0 0 283.299 1.472 20 10 CDCDRN Cn1nccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181003208 899528371 /nfs/dbraw/zinc/52/83/71/899528371.db2.gz JDONDFGBRQKQSR-HWKANZROSA-N 0 0 259.265 1.483 20 10 CDCDRN CCONC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000162439836 899893143 /nfs/dbraw/zinc/89/31/43/899893143.db2.gz GNMARSWSDWAOHA-LBPRGKRZSA-N 0 0 293.367 1.835 20 10 CDCDRN O=C(NCc1ccccc1O)c1cc2n[nH]nc2cc1F ZINC000781923769 900068151 /nfs/dbraw/zinc/06/81/51/900068151.db2.gz UAOLOXRSBHQAOO-UHFFFAOYSA-N 0 0 286.266 1.733 20 10 CDCDRN COc1ccc(O)c(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000312712737 900070146 /nfs/dbraw/zinc/07/01/46/900070146.db2.gz TUULICXOGFSAKI-GWCFXTLKSA-N 0 0 279.336 1.943 20 10 CDCDRN Cc1nn[nH]c1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000194368426 900137543 /nfs/dbraw/zinc/13/75/43/900137543.db2.gz ZIYPDIQVFWKPKY-UHFFFAOYSA-N 0 0 286.335 1.628 20 10 CDCDRN CCC(C)(C)OCC(=O)NCc1ccc(O)c(O)c1 ZINC000837485875 900243086 /nfs/dbraw/zinc/24/30/86/900243086.db2.gz RJHGFVYEAJTLFQ-UHFFFAOYSA-N 0 0 267.325 1.919 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)Cc1nnc(N)s1 ZINC001123760231 914624418 /nfs/dbraw/zinc/62/44/18/914624418.db2.gz IZJDOHKQMQHAJD-UHFFFAOYSA-N 0 0 278.337 1.027 20 10 CDCDRN CCC(=O)N1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000092972960 904484422 /nfs/dbraw/zinc/48/44/22/904484422.db2.gz WIIVXMCUZPYOFE-UHFFFAOYSA-N 0 0 275.396 1.807 20 10 CDCDRN Cn1ncc(/C=C2\SC(N3CCCCC3)=NC2=O)n1 ZINC000840732384 906287527 /nfs/dbraw/zinc/28/75/27/906287527.db2.gz FRKYHWRVPLIWKT-YFHOEESVSA-N 0 0 277.353 1.271 20 10 CDCDRN Cc1cc(N(C)C)ccc1[C@H]1NC(=O)[C@@H]2CSCCN21 ZINC000840820879 906395223 /nfs/dbraw/zinc/39/52/23/906395223.db2.gz UJYGSNMKGKRAOQ-KBPBESRZSA-N 0 0 291.420 1.607 20 10 CDCDRN COc1cc(C(=O)NCc2ccccc2O)nc(OC)n1 ZINC001189099582 921321842 /nfs/dbraw/zinc/32/18/42/921321842.db2.gz UWRAKELYTAWNGR-UHFFFAOYSA-N 0 0 289.291 1.129 20 10 CDCDRN Nc1ccc(CCNC(=O)NCCCOCC2CC2)cc1 ZINC000841667395 907915337 /nfs/dbraw/zinc/91/53/37/907915337.db2.gz DRLGTPKQRUKPKG-UHFFFAOYSA-N 0 0 291.395 1.927 20 10 CDCDRN C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)CCS1 ZINC000841958025 908835954 /nfs/dbraw/zinc/83/59/54/908835954.db2.gz WBZFIPBICRYIRO-LLVKDONJSA-N 0 0 279.409 1.958 20 10 CDCDRN C[C@H]1OCC[C@]1(C)NC(=O)NCCc1ccc(N)cc1 ZINC000841960980 908837036 /nfs/dbraw/zinc/83/70/36/908837036.db2.gz YPGFLKSUSDUYBP-ABAIWWIYSA-N 0 0 277.368 1.678 20 10 CDCDRN O=C(c1c[nH]c(=O)[nH]1)N1CCc2cccc(O)c2C1 ZINC001189545165 921536751 /nfs/dbraw/zinc/53/67/51/921536751.db2.gz OSMQEXGXPFEOPD-UHFFFAOYSA-N 0 0 259.265 1.019 20 10 CDCDRN COC(C)(CNC(=O)/C=C/c1ccc(O)c(O)c1)OC ZINC001179689683 915926429 /nfs/dbraw/zinc/92/64/29/915926429.db2.gz VSLZPQSPEHIKMU-FNORWQNLSA-N 0 0 281.308 1.236 20 10 CDCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cnc2nccn2c1 ZINC001179683623 915944349 /nfs/dbraw/zinc/94/43/49/915944349.db2.gz XBNNEUPOLVEHQU-DUXPYHPUSA-N 0 0 296.286 1.792 20 10 CDCDRN COCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000098094047 935183539 /nfs/dbraw/zinc/18/35/39/935183539.db2.gz IFVGLTBUSCQWPI-UHFFFAOYSA-N 0 0 296.342 1.049 20 10 CDCDRN O=C([C@@H]1CCO1)N1CCCc2cc(O)c(O)cc2C1 ZINC001181587275 917186114 /nfs/dbraw/zinc/18/61/14/917186114.db2.gz MGIAOKBUJGADHU-ZDUSSCGKSA-N 0 0 263.293 1.162 20 10 CDCDRN CC1(C)OC[C@@H](C(=O)NCc2ccccc2O)O1 ZINC001181744798 917329113 /nfs/dbraw/zinc/32/91/13/917329113.db2.gz INJDKSZUPGKFHP-NSHDSACASA-N 0 0 251.282 1.160 20 10 CDCDRN [NH3+]Cc1ccc2c(n1)N(C(=O)c1ccc(=O)[nH]n1)CCC2 ZINC001181751675 917336866 /nfs/dbraw/zinc/33/68/66/917336866.db2.gz BXEKRPXXMUQAAY-UHFFFAOYSA-N 0 0 285.307 1.086 20 10 CDCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)NC(C)=O ZINC000070899756 917379431 /nfs/dbraw/zinc/37/94/31/917379431.db2.gz DPPXYYPCYHRLKW-GFCCVEGCSA-N 0 0 291.395 1.626 20 10 CDCDRN Cn1ccc(CC(=O)NCc2ccc(N3CCCC3)cc2)n1 ZINC000183104336 917388934 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COc1ccc(CNC(=O)c2noc(C)n2)c(O)c1 ZINC000794762443 784544937 /nfs/dbraw/zinc/54/49/37/784544937.db2.gz VGCHYIRBVWKQGX-UHFFFAOYSA-N 0 0 263.253 1.022 20 10 CDCDRN COc1cccc(CNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)c1O ZINC000837483468 784638086 /nfs/dbraw/zinc/63/80/86/784638086.db2.gz AOLVVJTWRKCIKM-WCQGTBRESA-N 0 0 289.331 1.632 20 10 CDCDRN CN(CC1CC1)S(=O)(=O)Nc1ccc(O)c(F)c1F ZINC000830184639 784668582 /nfs/dbraw/zinc/66/85/82/784668582.db2.gz LCVAODUQTMLMCH-UHFFFAOYSA-N 0 0 292.307 1.669 20 10 CDCDRN COc1ccc(CNC(=O)c2nnc(C)s2)c(O)c1 ZINC000794761980 784700289 /nfs/dbraw/zinc/70/02/89/784700289.db2.gz NVFCATBUZGUHBU-UHFFFAOYSA-N 0 0 279.321 1.491 20 10 CDCDRN CCn1[nH]c(C)nc1=NC(=O)NCc1ccccc1O ZINC000888526125 784736383 /nfs/dbraw/zinc/73/63/83/784736383.db2.gz CYWNTQLGPFJCFW-UHFFFAOYSA-N 0 0 275.312 1.056 20 10 CDCDRN COc1ccc(CNC(=O)C(C)(C)CNC(C)=O)c(O)c1 ZINC000846061768 784766655 /nfs/dbraw/zinc/76/66/55/784766655.db2.gz SPGYMIZQEFUUMI-UHFFFAOYSA-N 0 0 294.351 1.179 20 10 CDCDRN Cn1nccc1[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C(=O)[O-] ZINC000819165855 784791096 /nfs/dbraw/zinc/79/10/96/784791096.db2.gz FPNRBSGXGXVBPF-AWEZNQCLSA-N 0 0 287.319 1.271 20 10 CDCDRN C[C@H]1COCC[C@H]1CNC(=O)NCCc1ccc(N)cc1 ZINC000841903609 784870525 /nfs/dbraw/zinc/87/05/25/784870525.db2.gz YLGLFGHZYIBKTI-JSGCOSHPSA-N 0 0 291.395 1.783 20 10 CDCDRN Cn1cc(C(=O)NCc2ccc(O)c(O)c2)c(C2CC2)n1 ZINC000813490264 784873663 /nfs/dbraw/zinc/87/36/63/784873663.db2.gz IBWKJJUKKZVJKR-UHFFFAOYSA-N 0 0 287.319 1.639 20 10 CDCDRN CN(C)c1ccc(CN(C)C(=O)Cc2cncn2C)cc1 ZINC000186786778 784887079 /nfs/dbraw/zinc/88/70/79/784887079.db2.gz AZZFUAFNJBOTNH-UHFFFAOYSA-N 0 0 286.379 1.687 20 10 CDCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CNC(=O)C2)cc1 ZINC000779366078 784939822 /nfs/dbraw/zinc/93/98/22/784939822.db2.gz BFJAMVMZNNYKPY-CQSZACIVSA-N 0 0 297.358 1.712 20 10 CDCDRN C[C@@H](C[S@](C)=O)[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000708422243 785058419 /nfs/dbraw/zinc/05/84/19/785058419.db2.gz LACSQRXJUBJOQT-ASCAZGACSA-N 0 0 277.336 1.869 20 10 CDCDRN C[C@@H](NC(=O)NCC[S@](C)=O)c1ccccc1O ZINC000868265479 785076421 /nfs/dbraw/zinc/07/64/21/785076421.db2.gz IFSPEUGMYRRPKR-LZVRBXCZSA-N 0 0 270.354 1.131 20 10 CDCDRN CCO[N-]C(=O)C[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000846089843 785078344 /nfs/dbraw/zinc/07/83/44/785078344.db2.gz XQLXUSMQSNBGPH-UHFFFAOYSA-N 0 0 297.374 1.829 20 10 CDCDRN Cc1nccn1CC(=O)NCc1cc(C)ccc1O ZINC000862755445 785088292 /nfs/dbraw/zinc/08/82/92/785088292.db2.gz SQGVHUDSWMIORN-UHFFFAOYSA-N 0 0 259.309 1.522 20 10 CDCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000817977340 785502425 /nfs/dbraw/zinc/50/24/25/785502425.db2.gz HXZXKQCLGWIMQP-HDRXNWCYSA-N 0 0 276.336 1.047 20 10 CDCDRN C[C@H](O)C[C@H]1COCCN1C(=O)C1=CC(=O)CS1 ZINC000832258601 785526539 /nfs/dbraw/zinc/52/65/39/785526539.db2.gz DOLOJOISWQLQTQ-IUCAKERBSA-N 0 0 271.338 1.066 20 10 CDCDRN CCOC(=O)[C@@H](C)NCc1cc2c(cc1O)OCO2 ZINC000042880498 785533537 /nfs/dbraw/zinc/53/35/37/785533537.db2.gz YNPHXUCWJVMLTP-MRVPVSSYSA-N 0 0 267.281 1.162 20 10 CDCDRN CN1C[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CC1=O ZINC000790954953 785585686 /nfs/dbraw/zinc/58/56/86/785585686.db2.gz HCXNCNNMVIFMNY-ZETCQYMHSA-N 0 0 272.707 1.505 20 10 CDCDRN CC[C@@H](C[C@@H](C)CO)NC(=O)c1c(F)ccc(O)c1O ZINC000827472412 785587447 /nfs/dbraw/zinc/58/74/47/785587447.db2.gz GFIXEWBVVLTLAB-BDAKNGLRSA-N 0 0 285.315 1.764 20 10 CDCDRN CSC[C@H](CCO)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779532192 785617209 /nfs/dbraw/zinc/61/72/09/785617209.db2.gz FSYBOVJKGBVBLA-TZNOJPMFSA-N 0 0 297.376 1.341 20 10 CDCDRN Cc1ccc(CCNC(=O)c2c(F)ccc(O)c2O)cn1 ZINC000789977117 785627127 /nfs/dbraw/zinc/62/71/27/785627127.db2.gz ODEWMDFJAPABNH-UHFFFAOYSA-N 0 0 290.294 1.913 20 10 CDCDRN O=C(NCc1ccc(O)c(O)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000778924350 785649171 /nfs/dbraw/zinc/64/91/71/785649171.db2.gz UJKOCCGYGKWIAV-UHFFFAOYSA-N 0 0 299.286 1.610 20 10 CDCDRN O=C(NCCCO[C@H]1CCCCO1)c1cccc(O)c1O ZINC000839750179 785761231 /nfs/dbraw/zinc/76/12/31/785761231.db2.gz LKBQZSGCEKOVJQ-ZDUSSCGKSA-N 0 0 295.335 1.761 20 10 CDCDRN COC[C@H](Cn1cc(COc2ccc(N)cc2)nn1)OC ZINC000881326668 785800351 /nfs/dbraw/zinc/80/03/51/785800351.db2.gz YUEOQFWEARUGSE-AWEZNQCLSA-N 0 0 292.339 1.101 20 10 CDCDRN Nc1ccc(NC(=O)N2CCN([C@H]3CCOC3)CC2)cc1 ZINC000850751243 785819906 /nfs/dbraw/zinc/81/99/06/785819906.db2.gz XNOLZAWUTZXCRV-AWEZNQCLSA-N 0 0 290.367 1.207 20 10 CDCDRN Cc1nocc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000867302515 785846004 /nfs/dbraw/zinc/84/60/04/785846004.db2.gz QIEJVNQSMVWXBL-MRVPVSSYSA-N 0 0 276.292 1.755 20 10 CDCDRN C[C@@]1(CCC(=O)NCc2ccc(O)c(O)c2)CCC(=O)N1 ZINC000793689522 785861633 /nfs/dbraw/zinc/86/16/33/785861633.db2.gz NYUDBPUDJWBFQL-OAHLLOKOSA-N 0 0 292.335 1.163 20 10 CDCDRN COCC[C@H](C)CNC(=O)c1cccc(O)c1O ZINC000839811521 785864803 /nfs/dbraw/zinc/86/48/03/785864803.db2.gz QJQSKBDIEPDWSO-VIFPVBQESA-N 0 0 253.298 1.500 20 10 CDCDRN CO[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000866047914 785892781 /nfs/dbraw/zinc/89/27/81/785892781.db2.gz LJWDDRVKZVVKLS-CQSZACIVSA-N 0 0 293.367 1.267 20 10 CDCDRN Nc1ccc(CCNC(=O)[C@@H]2CCc3ncncc3C2)cc1 ZINC000843343523 785897108 /nfs/dbraw/zinc/89/71/08/785897108.db2.gz YHJVPFXTPNZDSA-CYBMUJFWSA-N 0 0 296.374 1.523 20 10 CDCDRN COc1cccc(O)c1CN1CC(=O)N(CC2CC2)C1 ZINC000789774636 785990388 /nfs/dbraw/zinc/99/03/88/785990388.db2.gz HRMOFXGGAKUNSI-UHFFFAOYSA-N 0 0 276.336 1.413 20 10 CDCDRN CCOc1cccc(C[NH2+]C[C@H](C)C(=O)[O-])c1O ZINC000848637918 785993898 /nfs/dbraw/zinc/99/38/98/785993898.db2.gz NESHETCVYAQUDL-VIFPVBQESA-N 0 0 253.298 1.601 20 10 CDCDRN CN(CCc1nccs1)C(=O)Cc1ccc(N)cc1 ZINC000708437263 786035656 /nfs/dbraw/zinc/03/56/56/786035656.db2.gz CQWNKSOOOUIEGR-UHFFFAOYSA-N 0 0 275.377 1.969 20 10 CDCDRN COc1cccc(CNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)c1O ZINC000780467947 786062502 /nfs/dbraw/zinc/06/25/02/786062502.db2.gz GVZMDBXSAJSHLO-MPKXVKKWSA-N 0 0 277.320 1.442 20 10 CDCDRN O=C(CCc1ccoc1)NCc1ccc(O)c(O)c1 ZINC000182523277 786076245 /nfs/dbraw/zinc/07/62/45/786076245.db2.gz AQARCTKQVCPIPT-UHFFFAOYSA-N 0 0 261.277 1.940 20 10 CDCDRN COc1cccc(CNC(=O)c2cc(C)on2)c1O ZINC000129348044 786093612 /nfs/dbraw/zinc/09/36/12/786093612.db2.gz FVDJMMOVPPYURL-UHFFFAOYSA-N 0 0 262.265 1.627 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)C(=O)c1cccn1C ZINC000806500110 786291528 /nfs/dbraw/zinc/29/15/28/786291528.db2.gz SNVYJWMGJRCVCP-UHFFFAOYSA-N 0 0 272.304 1.572 20 10 CDCDRN CCn1ccnc1[C@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000852913471 786301472 /nfs/dbraw/zinc/30/14/72/786301472.db2.gz VVPGGTNMWBUFDD-NSHDSACASA-N 0 0 272.352 1.905 20 10 CDCDRN CCCn1nccc1C(=O)NCc1cccc(OC)c1O ZINC000830541271 786386470 /nfs/dbraw/zinc/38/64/70/786386470.db2.gz WBWULKMWOUMDMP-UHFFFAOYSA-N 0 0 289.335 1.937 20 10 CDCDRN CCn1cc(S(=O)(=O)NCc2ccccc2O)nc1C ZINC000162123439 786452263 /nfs/dbraw/zinc/45/22/63/786452263.db2.gz BKLXCTDQRWQXQE-UHFFFAOYSA-N 0 0 295.364 1.396 20 10 CDCDRN COC(=O)CN(C)Cc1cc(Cl)c(C)cc1O ZINC000824567705 786494036 /nfs/dbraw/zinc/49/40/36/786494036.db2.gz UJWVGNPVHSLNOH-UHFFFAOYSA-N 0 0 257.717 1.959 20 10 CDCDRN Cc1cc(Cn2cc([C@@H](C)O)nn2)ccc1N(C)C ZINC000881378284 786501677 /nfs/dbraw/zinc/50/16/77/786501677.db2.gz LOMAWRPIKOOXIR-LLVKDONJSA-N 0 0 260.341 1.754 20 10 CDCDRN C[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)[C@H](C(N)=O)C1 ZINC000779203381 786585787 /nfs/dbraw/zinc/58/57/87/786585787.db2.gz BXYAXDVKFRSLKA-NHYWBVRUSA-N 0 0 293.386 1.978 20 10 CDCDRN CN(C)c1ccc(CNC(=O)c2ncccc2O)cc1 ZINC000194646338 786634509 /nfs/dbraw/zinc/63/45/09/786634509.db2.gz VCLXPQLQBXTLSL-UHFFFAOYSA-N 0 0 271.320 1.783 20 10 CDCDRN CC[C@H](C)OCC(=O)NCc1ccc(OC)cc1O ZINC000794378813 786806842 /nfs/dbraw/zinc/80/68/42/786806842.db2.gz FVQIKBCAQDDNEC-JTQLQIEISA-N 0 0 267.325 1.832 20 10 CDCDRN CC(C)OCCONC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000795072489 786812851 /nfs/dbraw/zinc/81/28/51/786812851.db2.gz DVUFMLDBIYBIRB-GQCTYLIASA-N 0 0 281.308 1.584 20 10 CDCDRN CCc1nn(C)cc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000092515466 786863174 /nfs/dbraw/zinc/86/31/74/786863174.db2.gz BSVOAAXGVSAKQB-UHFFFAOYSA-N 0 0 289.335 1.366 20 10 CDCDRN C[C@H]1C[C@@H](CNC(=O)Cc2ccc(N)cc2)CCO1 ZINC000389140421 786939537 /nfs/dbraw/zinc/93/95/37/786939537.db2.gz YCXMKGBUHFRBAC-AAEUAGOBSA-N 0 0 262.353 1.743 20 10 CDCDRN CC(=O)Nc1ccc(CNC(=O)C2=CC(=O)CS2)cn1 ZINC000791008741 786985040 /nfs/dbraw/zinc/98/50/40/786985040.db2.gz OJGVCOLOYOVZER-UHFFFAOYSA-N 0 0 291.332 1.737 20 10 CDCDRN CC[C@@H](CO)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000779812374 787000724 /nfs/dbraw/zinc/00/07/24/787000724.db2.gz LBTCCLKLKCOYBV-UWVGGRQHSA-N 0 0 267.325 1.597 20 10 CDCDRN O=C(NCCF)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852303298 787024840 /nfs/dbraw/zinc/02/48/40/787024840.db2.gz YCFRVHMRNUWVDN-UHFFFAOYSA-N 0 0 295.358 1.416 20 10 CDCDRN C[C@H]1CN(C(=O)c2cccc(O)c2O)[C@@H](C)CN1C ZINC000790912155 787041523 /nfs/dbraw/zinc/04/15/23/787041523.db2.gz YVYHTNQCEAVULC-UWVGGRQHSA-N 0 0 264.325 1.262 20 10 CDCDRN Cc1noc([C@@H](C)N(C)C(=O)Cc2ccc(N)cc2)n1 ZINC000848436512 787068632 /nfs/dbraw/zinc/06/86/32/787068632.db2.gz UIQVTGSPYKVKSR-SECBINFHSA-N 0 0 274.324 1.722 20 10 CDCDRN CC[C@H](NCc1nnn(C)n1)c1cc(Cl)ccc1O ZINC000787042978 787069536 /nfs/dbraw/zinc/06/95/36/787069536.db2.gz QSWNPYSPJIDFST-JTQLQIEISA-N 0 0 281.747 1.810 20 10 CDCDRN C[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1c([O-])cccc1F ZINC000886641498 787128083 /nfs/dbraw/zinc/12/80/83/787128083.db2.gz LAJUYPTTYKCPAG-CIUDSAMLSA-N 0 0 252.289 1.446 20 10 CDCDRN CS[C@@H](CO)[C@@H](C)NC(=O)Nc1ccc(N)cc1 ZINC000841299686 787295733 /nfs/dbraw/zinc/29/57/33/787295733.db2.gz HWOJWYLUROHMFR-KCJUWKMLSA-N 0 0 269.370 1.503 20 10 CDCDRN CN(C)c1ccc(CN(C)C(=O)C2(O)CCOCC2)cc1 ZINC000120798996 787364285 /nfs/dbraw/zinc/36/42/85/787364285.db2.gz NEAGMHRBNGXUHP-UHFFFAOYSA-N 0 0 292.379 1.253 20 10 CDCDRN CO[C@@]1(C[NH2+]Cc2ccc(C)cc2O)CCOC1 ZINC000877371968 787367817 /nfs/dbraw/zinc/36/78/17/787367817.db2.gz SFEVVVBDHTZWCU-CQSZACIVSA-N 0 0 251.326 1.596 20 10 CDCDRN CC[C@@H](NC(C)=O)C(=O)NCc1cc(C)ccc1O ZINC000869410217 787463179 /nfs/dbraw/zinc/46/31/79/787463179.db2.gz HQZLDELMJQIECQ-GFCCVEGCSA-N 0 0 264.325 1.232 20 10 CDCDRN C[C@@H]1C[C@H](C)[C@@H](C(=O)NCCc2ccc(N)cc2)O1 ZINC000818545182 787484861 /nfs/dbraw/zinc/48/48/61/787484861.db2.gz NEPHWVOEEIHMKM-WDMOLILDSA-N 0 0 262.353 1.741 20 10 CDCDRN O=C(NCCCSc1nccs1)c1cnsn1 ZINC000114375344 787509611 /nfs/dbraw/zinc/50/96/11/787509611.db2.gz ZEXKLHUBYAZOQU-UHFFFAOYSA-N 0 0 286.407 1.907 20 10 CDCDRN CCN(C)c1ccc([C@@H](C)NCc2nnn(C)n2)cc1 ZINC000787043615 787642270 /nfs/dbraw/zinc/64/22/70/787642270.db2.gz VAMRXVFPKSRDDV-LLVKDONJSA-N 0 0 274.372 1.517 20 10 CDCDRN C[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccc(F)cc1[O-] ZINC000834907851 787647068 /nfs/dbraw/zinc/64/70/68/787647068.db2.gz DOASTSVPMCLJAN-YMTOWFKASA-N 0 0 266.316 1.851 20 10 CDCDRN CCN(CC(C)(C)O)C(=O)NCCc1ccc(N)cc1 ZINC000841959171 787689350 /nfs/dbraw/zinc/68/93/50/787689350.db2.gz VXBUJPWNTOLPCH-UHFFFAOYSA-N 0 0 279.384 1.614 20 10 CDCDRN CCN1CC[C@H](NC(=O)N[C@H](C)c2ccccc2O)C1=O ZINC000868588531 787801749 /nfs/dbraw/zinc/80/17/49/787801749.db2.gz LFXGAEBMZQONCQ-PWSUYJOCSA-N 0 0 291.351 1.373 20 10 CDCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cnn(C)c2C)c1 ZINC000162663245 787812080 /nfs/dbraw/zinc/81/20/80/787812080.db2.gz RFQQBHUHAYMZCC-SECBINFHSA-N 0 0 289.335 1.934 20 10 CDCDRN CCOC(=O)C[C@@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC000780970492 787813239 /nfs/dbraw/zinc/81/32/39/787813239.db2.gz YPQNUDGEGMSITJ-SECBINFHSA-N 0 0 281.308 1.478 20 10 CDCDRN CC(=O)C(=O)COc1ccc([N+](=O)[O-])cc1Cl ZINC000808012037 787813409 /nfs/dbraw/zinc/81/34/09/787813409.db2.gz CLCBQJQSKXWGTI-UHFFFAOYSA-N 0 0 257.629 1.785 20 10 CDCDRN COc1cccc(CNC(=O)Cn2ccc(C)n2)c1O ZINC000825703217 787817136 /nfs/dbraw/zinc/81/71/36/787817136.db2.gz NITHPXWSBUFFPJ-UHFFFAOYSA-N 0 0 275.308 1.222 20 10 CDCDRN COc1cc(CCC(=O)NCc2cc(C)ccc2O)on1 ZINC000862753111 787822373 /nfs/dbraw/zinc/82/23/73/787822373.db2.gz BMISZRWMACLEJM-UHFFFAOYSA-N 0 0 290.319 1.946 20 10 CDCDRN C[C@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2O)c2nccn21 ZINC000839786181 787827199 /nfs/dbraw/zinc/82/71/99/787827199.db2.gz MWCDKEZVBHKJNS-IONNQARKSA-N 0 0 291.282 1.869 20 10 CDCDRN CCOC(=O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000037563599 787828083 /nfs/dbraw/zinc/82/80/83/787828083.db2.gz CVVQSTMWHPUPLE-VIFPVBQESA-N 0 0 253.298 1.615 20 10 CDCDRN O=S1(=O)CCC[C@H]1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708558374 787831408 /nfs/dbraw/zinc/83/14/08/787831408.db2.gz GCPRCBRVJOOVNB-JTQLQIEISA-N 0 0 291.319 1.337 20 10 CDCDRN CNC(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000864417459 787842468 /nfs/dbraw/zinc/84/24/68/787842468.db2.gz ZVVUWMMGWZHMHP-UHFFFAOYSA-N 0 0 279.340 1.165 20 10 CDCDRN Cc1noc([C@H](C)NC(=O)c2ccc(C)c(O)c2O)n1 ZINC000780922963 787884585 /nfs/dbraw/zinc/88/45/85/787884585.db2.gz ZURWEHBIBNKEQB-ZETCQYMHSA-N 0 0 277.280 1.589 20 10 CDCDRN COc1ccc(O)c(CNC(=O)NC[C@H](OC)C2CC2)c1 ZINC000838474345 787888650 /nfs/dbraw/zinc/88/86/50/787888650.db2.gz JCIMPEQMHQOHTB-AWEZNQCLSA-N 0 0 294.351 1.625 20 10 CDCDRN CCS(=O)(=O)CCN(C)Cc1ccc(N(C)C)cc1C ZINC000840916424 787897163 /nfs/dbraw/zinc/89/71/63/787897163.db2.gz KMEOVGRPLPZUEB-UHFFFAOYSA-N 0 0 298.452 1.928 20 10 CDCDRN CCC[C@@H](NC(N)=O)C(=O)NCc1cc(C)ccc1O ZINC000862758073 788006086 /nfs/dbraw/zinc/00/60/86/788006086.db2.gz NQCGAJBAJJECLJ-LLVKDONJSA-N 0 0 279.340 1.154 20 10 CDCDRN CC[C@H]([NH2+]C[C@@H](O)CN(C)C)c1ccc(F)cc1[O-] ZINC000796754286 788018324 /nfs/dbraw/zinc/01/83/24/788018324.db2.gz JBSLMPVADXMKAL-YPMHNXCESA-N 0 0 270.348 1.495 20 10 CDCDRN CCCN1CC(=O)N[C@H]1c1ccc([N+](=O)[O-])c(OC)c1O ZINC000840824111 788048871 /nfs/dbraw/zinc/04/88/71/788048871.db2.gz HMTXUFLHDYLMRU-CYBMUJFWSA-N 0 0 295.295 1.149 20 10 CDCDRN O=C(COC(=O)[C@H]1C[C@]12CCOC2)c1ccc(O)c(O)c1 ZINC000784728877 788059237 /nfs/dbraw/zinc/05/92/37/788059237.db2.gz LKFVWGUGGVSCOT-BMIGLBTASA-N 0 0 292.287 1.250 20 10 CDCDRN CN(Cc1ccccc1O)c1c2c(nc3ncnn31)CCC2 ZINC000865647263 788080791 /nfs/dbraw/zinc/08/07/91/788080791.db2.gz UAPLHGZHMRPUSG-UHFFFAOYSA-N 0 0 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0 279.336 1.535 20 10 CDCDRN O=C([O-])[C@@H]1[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1(F)F ZINC000715337087 977745737 /nfs/dbraw/zinc/74/57/37/977745737.db2.gz ZGCWHIUOJYLSSW-PWSUYJOCSA-N 0 0 283.274 1.677 20 10 CDCDRN CN(C)c1ccc(/C=C\C[NH2+][C@@H](CF)C(=O)[O-])cc1 ZINC001598314575 991299943 /nfs/dbraw/zinc/29/99/43/991299943.db2.gz YJENBJFHRMSTHI-SCOBNMCVSA-N 0 0 266.316 1.778 20 10 CDCDRN CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001598640426 994310460 /nfs/dbraw/zinc/31/04/60/994310460.db2.gz XULYLCCBJHQQKS-RKDXNWHRSA-N 0 0 280.324 1.266 20 10 CDCDRN COc1ccc(O)c([C@H](C)[NH2+]Cc2cncn2C)c1 ZINC000271760605 362039217 /nfs/dbraw/zinc/03/92/17/362039217.db2.gz ASLANIZSYWSNFL-JTQLQIEISA-N 0 0 261.325 1.985 20 10 CDCDRN CN(Cc1ccccc1O)c1cnn(C)c(=O)c1Cl ZINC000089635620 342391227 /nfs/dbraw/zinc/39/12/27/342391227.db2.gz FAKXDOWJSYUBLC-UHFFFAOYSA-N 0 0 279.727 1.776 20 10 CDCDRN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000153667311 363425163 /nfs/dbraw/zinc/42/51/63/363425163.db2.gz HGRKHTGASXWKIN-WDEREUQCSA-N 0 0 277.368 1.231 20 10 CDCDRN CCOC(=O)CCCNC(=O)NCc1ccccc1O ZINC000299547977 357091410 /nfs/dbraw/zinc/09/14/10/357091410.db2.gz WSPHXTLWVIBXTD-UHFFFAOYSA-N 0 0 280.324 1.535 20 10 CDCDRN COC[C@@H](O)COc1ccc(N2CCCC2)cc1 ZINC000180789152 357289379 /nfs/dbraw/zinc/28/93/79/357289379.db2.gz QYCZOGMTBYKHDR-CYBMUJFWSA-N 0 0 251.326 1.673 20 10 CDCDRN CC(C)[C@]1(CO)CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000294730556 199156020 /nfs/dbraw/zinc/15/60/20/199156020.db2.gz LPCVLAWEINCXKG-MRXNPFEDSA-N 0 0 293.363 1.969 20 10 CDCDRN Cc1c(C(=O)N(C)Cc2ccccc2O)nnn1C ZINC000266613920 363622490 /nfs/dbraw/zinc/62/24/90/363622490.db2.gz UNZITNKZLIQYNU-UHFFFAOYSA-N 0 0 260.297 1.101 20 10 CDCDRN CN(C)c1ccc(CNC(=O)NCC2(C)COC2)cc1 ZINC000112713511 359347335 /nfs/dbraw/zinc/34/73/35/359347335.db2.gz MWJCBZXYTGUEDA-UHFFFAOYSA-N 0 0 277.368 1.588 20 10 CDCDRN Cc1ccc(O)c(CN(CCS(C)(=O)=O)C2CC2)c1 ZINC000093816585 260526140 /nfs/dbraw/zinc/52/61/40/260526140.db2.gz XMJGGHDEILBCNW-UHFFFAOYSA-N 0 0 283.393 1.710 20 10 CDCDRN O=C(C[C@@H]1CSCCS1)NCc1ccc(O)c(O)c1 ZINC000272335139 365194353 /nfs/dbraw/zinc/19/43/53/365194353.db2.gz NJERPQNLFMFTNO-SNVBAGLBSA-N 0 0 299.417 1.953 20 10 CDCDRN CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)CCCN3C)C1=O ZINC000272525732 365277230 /nfs/dbraw/zinc/27/72/30/365277230.db2.gz WDBJYKQORWJGNM-ZDUSSCGKSA-N 0 0 287.363 1.899 20 10 CDCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)O)c1 ZINC000273414917 365495187 /nfs/dbraw/zinc/49/51/87/365495187.db2.gz QQYNLWZFHLLOCC-BDAKNGLRSA-N 0 0 253.298 1.210 20 10 CDCDRN COC[C@@H](CCO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273592734 365510759 /nfs/dbraw/zinc/51/07/59/365510759.db2.gz POYMDMUGFAZPOA-NXEZZACHSA-N 0 0 284.312 1.348 20 10 CDCDRN CO[C@H]1COC[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293857242 370827714 /nfs/dbraw/zinc/82/77/14/370827714.db2.gz ICYYIBOSHVYWOS-JQWIXIFHSA-N 0 0 275.707 1.688 20 10 CDCDRN COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)NCCF)c1 ZINC000282963847 368124428 /nfs/dbraw/zinc/12/44/28/368124428.db2.gz ZULVUCIBSJRPPO-UWVGGRQHSA-N 0 0 284.331 1.526 20 10 CDCDRN CCOC[C@@H]1CN(C(=O)c2ccc(C)c(O)c2O)CCO1 ZINC000529899940 368096963 /nfs/dbraw/zinc/09/69/63/368096963.db2.gz WQUMXYFCZZEFGG-NSHDSACASA-N 0 0 295.335 1.284 20 10 CDCDRN O=C(c1cccc(O)c1O)N1CCC[C@](F)(CO)C1 ZINC000286610976 368905263 /nfs/dbraw/zinc/90/52/63/368905263.db2.gz BJLQHEYLBJKQMD-CYBMUJFWSA-N 0 0 269.272 1.034 20 10 CDCDRN C[C@@H]([NH2+]C[C@H](C)N(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273599745 296131166 /nfs/dbraw/zinc/13/11/66/296131166.db2.gz RSNMVBLUBPUDPO-VHSXEESVSA-N 0 0 267.329 1.901 20 10 CDCDRN C[C@H](c1nncn1C)N1CCOc2cc(N(C)C)ccc21 ZINC000287563886 369238443 /nfs/dbraw/zinc/23/84/43/369238443.db2.gz BJNQDEIFXDIMKZ-LLVKDONJSA-N 0 0 287.367 1.841 20 10 CDCDRN Cc1nccn1CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000297570212 372001517 /nfs/dbraw/zinc/00/15/17/372001517.db2.gz DELQWVSYKLZMRY-UHFFFAOYSA-N 0 0 298.390 1.890 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)C1(O)Cc2ccccc2C1 ZINC000120282947 374591428 /nfs/dbraw/zinc/59/14/28/374591428.db2.gz XQZYOKPYRUTBQB-UHFFFAOYSA-N 0 0 297.354 1.881 20 10 CDCDRN C[C@H](CCO)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000121072861 390880226 /nfs/dbraw/zinc/88/02/26/390880226.db2.gz KGGHMEOLIMIHRZ-LLVKDONJSA-N 0 0 265.357 1.323 20 10 CDCDRN Cc1cc(O)ccc1NS(=O)(=O)CCOC(C)C ZINC000093666459 390903890 /nfs/dbraw/zinc/90/38/90/390903890.db2.gz QWRDKHCDZVVKLY-UHFFFAOYSA-N 0 0 273.354 1.867 20 10 CDCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnsn1 ZINC000173196260 391103912 /nfs/dbraw/zinc/10/39/12/391103912.db2.gz RHQYWKYEZUUEBB-UHFFFAOYSA-N 0 0 290.348 1.643 20 10 CDCDRN Cc1ccc(C(=O)N2CC[C@](O)(C3CC3)C2)c(O)c1O ZINC000373344055 391116577 /nfs/dbraw/zinc/11/65/77/391116577.db2.gz LRBKRIDLAYGUQG-OAHLLOKOSA-N 0 0 277.320 1.393 20 10 CDCDRN CCOCCO[C@@H](C)C(=O)NCc1ccc(O)c(O)c1 ZINC000269101531 391238867 /nfs/dbraw/zinc/23/88/67/391238867.db2.gz PFUJONIPYWBNSW-JTQLQIEISA-N 0 0 283.324 1.156 20 10 CDCDRN Cc1ccc(C(=O)N[C@@H]2CCCOCC2)c(O)c1O ZINC000182995131 391247809 /nfs/dbraw/zinc/24/78/09/391247809.db2.gz SDDNNOMRDWEWCB-SNVBAGLBSA-N 0 0 265.309 1.705 20 10 CDCDRN Cc1cnc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cn1 ZINC000183428421 391264091 /nfs/dbraw/zinc/26/40/91/391264091.db2.gz TVZDZWSVWOYBDW-VIFPVBQESA-N 0 0 287.319 1.557 20 10 CDCDRN CN(C)c1ccc(CN2CCOC[C@H]2c2ncon2)cc1 ZINC000360639876 391667504 /nfs/dbraw/zinc/66/75/04/391667504.db2.gz VEZWTRDBZWRXRF-AWEZNQCLSA-N 0 0 288.351 1.709 20 10 CDCDRN CO[C@H](C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000077639336 260167359 /nfs/dbraw/zinc/16/73/59/260167359.db2.gz HIESYFXJDYFRQN-CYBMUJFWSA-N 0 0 292.379 1.517 20 10 CDCDRN CC1(C)[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C[C@@H]1O ZINC000128124126 260372103 /nfs/dbraw/zinc/37/21/03/260372103.db2.gz VZKSFRIDITXTGP-OLZOCXBDSA-N 0 0 265.309 1.370 20 10 CDCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cc[nH]c(=O)c1 ZINC000154928905 261096126 /nfs/dbraw/zinc/09/61/26/261096126.db2.gz VDHRGHSTGNGTQX-UHFFFAOYSA-N 0 0 298.342 1.889 20 10 CDCDRN NC(=O)[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000155017720 261097197 /nfs/dbraw/zinc/09/71/97/261097197.db2.gz IOSQWAYBJNJSAV-VIFPVBQESA-N 0 0 268.744 1.743 20 10 CDCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)NCC(F)(F)F ZINC000184926977 262033975 /nfs/dbraw/zinc/03/39/75/262033975.db2.gz ZLHHRTWHWSNDGP-ZETCQYMHSA-N 0 0 292.257 1.890 20 10 CDCDRN O=C(c1cccc(O)c1O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000363926643 262036707 /nfs/dbraw/zinc/03/67/07/262036707.db2.gz KHIGWCBZEZBHBZ-OLZOCXBDSA-N 0 0 293.319 1.118 20 10 CDCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)COC(C)(C)C ZINC000186431409 262092692 /nfs/dbraw/zinc/09/26/92/262092692.db2.gz AMAHUWCHMKRAPE-SNVBAGLBSA-N 0 0 281.352 1.960 20 10 CDCDRN C[C@@H](OC[C@H]1CCCO1)C(=O)NCc1ccc(O)c(O)c1 ZINC000272270481 263003039 /nfs/dbraw/zinc/00/30/39/263003039.db2.gz DAVVOGMAXXTHGE-ZYHUDNBSSA-N 0 0 295.335 1.298 20 10 CDCDRN Nc1ccc(CC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)cc1 ZINC000252671485 264304969 /nfs/dbraw/zinc/30/49/69/264304969.db2.gz VXLLPVVEJUPFCJ-ZNMIVQPWSA-N 0 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NSINDVRZWCVGEA-SNVBAGLBSA-N 0 0 276.340 1.770 20 10 CDCDRN COC(=O)C[C@H]1COCCN1Cc1cc(F)ccc1O ZINC000377833429 329031148 /nfs/dbraw/zinc/03/11/48/329031148.db2.gz DPQBICMILMCFQE-LBPRGKRZSA-N 0 0 283.299 1.295 20 10 CDCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000166375186 331307077 /nfs/dbraw/zinc/30/70/77/331307077.db2.gz IUIVJIVCBHJSRU-CYBMUJFWSA-N 0 0 280.343 1.438 20 10 CDCDRN COc1cc([N+](=O)[O-])c(N2CC[C@H](O)[C@H](C)C2)cc1OC ZINC000167114939 331307899 /nfs/dbraw/zinc/30/78/99/331307899.db2.gz SZTSHMZIJPSCIL-SKDRFNHKSA-N 0 0 296.323 1.819 20 10 CDCDRN COc1ccc(N(C)C(=O)/C=C\c2cnccn2)cn1 ZINC000491336467 332191955 /nfs/dbraw/zinc/19/19/55/332191955.db2.gz VDNHNRDRBJDHES-UTCJRWHESA-N 0 0 270.292 1.556 20 10 CDCDRN CCN(C(=O)/C=C\c1cnccn1)c1cccnc1 ZINC000491534033 332231102 /nfs/dbraw/zinc/23/11/02/332231102.db2.gz TWEUUSWFIWSMHJ-WAYWQWQTSA-N 0 0 254.293 1.938 20 10 CDCDRN CN1CCN(C(=O)/C=C\c2cnccn2)c2ccccc21 ZINC000491732952 332313777 /nfs/dbraw/zinc/31/37/77/332313777.db2.gz 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CDCDRN CC(=O)C(=O)COC(=O)c1cc(=O)c2ccccc2o1 ZINC000808488372 1162860840 /nfs/dbraw/zinc/86/08/40/1162860840.db2.gz UGQNRXQJVUHZIH-UHFFFAOYSA-N 0 0 274.228 1.108 20 10 CDCDRN COC(=O)CCCS(=O)(=O)Nc1ccc(O)c(C)c1 ZINC000148135716 1159103941 /nfs/dbraw/zinc/10/39/41/1159103941.db2.gz SEFLPPKGMMQUSR-UHFFFAOYSA-N 0 0 287.337 1.396 20 10 CDCDRN C[C@H]1C(=O)NCCN1C(=O)/C=C/c1ccc(N(C)C)cc1 ZINC000110667261 1161464068 /nfs/dbraw/zinc/46/40/68/1161464068.db2.gz MPIYXGGSISPDTH-LZGFCCKTSA-N 0 0 287.363 1.113 20 10 CDCDRN CC(=O)NC[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000790589970 1162162312 /nfs/dbraw/zinc/16/23/12/1162162312.db2.gz LUTOUKCVRYWOMG-NSHDSACASA-N 0 0 292.335 1.086 20 10 CDCDRN C[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1cc(C(=O)[O-])ccc1O ZINC001609780695 1165078244 /nfs/dbraw/zinc/07/82/44/1165078244.db2.gz VFWLVRJPWAWINH-WMFXKJRFSA-N 0 0 295.335 1.281 20 10 CDCDRN C[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1cc(C(=O)[O-])ccc1O ZINC001609780699 1165079331 /nfs/dbraw/zinc/07/93/31/1165079331.db2.gz 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/nfs/dbraw/zinc/41/92/89/1173419289.db2.gz SPZNRLRTMHBKIJ-SKDRFNHKSA-N 0 0 289.339 1.402 20 10 CDCDRN Cc1cc(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)n(C)n1 ZINC001600203747 1174406400 /nfs/dbraw/zinc/40/64/00/1174406400.db2.gz UQPZWIFASOVQLK-JTQLQIEISA-N 0 0 289.335 1.983 20 10 CDCDRN Cc1cc(O)c(C[N@@H+]2C[C@H](O)C[C@@H](C(=O)[O-])C2)cc1C ZINC001600286601 1174438560 /nfs/dbraw/zinc/43/85/60/1174438560.db2.gz RQCRZGZYDLKNOH-CHWSQXEVSA-N 0 0 279.336 1.276 20 10 CDCDRN CN(C)c1ccc(CNC(=O)c2ccc(C(N)=O)nc2)cc1 ZINC000122376063 1175240531 /nfs/dbraw/zinc/24/05/31/1175240531.db2.gz XEAMCKZAISYTTP-UHFFFAOYSA-N 0 0 298.346 1.177 20 10 CDCDRN CC(C)CNC(=O)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000228693889 1175794320 /nfs/dbraw/zinc/79/43/20/1175794320.db2.gz KISXTLNMVWINJZ-JTQLQIEISA-N 0 0 268.332 1.954 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000119994612 790309617 /nfs/dbraw/zinc/30/96/17/790309617.db2.gz XIUZQCMKHKLULZ-UHFFFAOYSA-N 0 0 290.279 1.156 20 10 CDCDRN 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Nc1ccc(CC(=O)Nc2cncnc2N2CCCC2)cc1 ZINC000843490916 790619579 /nfs/dbraw/zinc/61/95/79/790619579.db2.gz GUJRXKDZMPDFKD-UHFFFAOYSA-N 0 0 297.362 1.840 20 10 CDCDRN CCN(CC(N)=O)Cc1cc(F)c(N(C)C)cc1F ZINC000862340540 790682673 /nfs/dbraw/zinc/68/26/73/790682673.db2.gz TVVHNXFSEOTCSL-UHFFFAOYSA-N 0 0 271.311 1.338 20 10 CDCDRN O=C1N[C@H](c2cc3c(cc2O)OCO3)Nc2ccccc21 ZINC000063494523 790734512 /nfs/dbraw/zinc/73/45/12/790734512.db2.gz GNVNVLRSRHSGTD-CQSZACIVSA-N 0 0 284.271 1.975 20 10 CDCDRN Cc1ccc(CN(C)CCS(C)(=O)=O)c(O)c1 ZINC000876585116 790739291 /nfs/dbraw/zinc/73/92/91/790739291.db2.gz AOXGHRLXJNRMNO-UHFFFAOYSA-N 0 0 257.355 1.177 20 10 CDCDRN O=C(N[C@H]1CCCC2(C1)OCCO2)c1cccc(O)c1O ZINC000715587001 790775364 /nfs/dbraw/zinc/77/53/64/790775364.db2.gz BSJNRPZFPXXKMU-JTQLQIEISA-N 0 0 293.319 1.513 20 10 CDCDRN CN(C(=O)CNC(=O)C(C)(C)C)c1ccc(N)cc1 ZINC000702053754 790805559 /nfs/dbraw/zinc/80/55/59/790805559.db2.gz OQALXXCWCZNCIW-UHFFFAOYSA-N 0 0 263.341 1.394 20 10 CDCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCc3nncn3C2)cc1 ZINC000814254853 790815717 /nfs/dbraw/zinc/81/57/17/790815717.db2.gz LGBJUAHVWBYDSR-ZDUSSCGKSA-N 0 0 299.378 1.223 20 10 CDCDRN CN(c1ccc(CNC(=O)C(N)=O)cc1)C1CCCCC1 ZINC000874238344 790831579 /nfs/dbraw/zinc/83/15/79/790831579.db2.gz LDPKWMUJXRUDCQ-UHFFFAOYSA-N 0 0 289.379 1.557 20 10 CDCDRN C[C@@H]([NH2+]CCN1CCCC1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000846207199 790890383 /nfs/dbraw/zinc/89/03/83/790890383.db2.gz ZZQJBBFHWUSRIJ-SNVBAGLBSA-N 0 0 293.323 1.573 20 10 CDCDRN C[C@@H](NC(=O)Cc1cc[nH]n1)c1ccc(N(C)C)cc1 ZINC000775409367 791033715 /nfs/dbraw/zinc/03/37/15/791033715.db2.gz FSYFDYIGIKLHGA-LLVKDONJSA-N 0 0 272.352 1.896 20 10 CDCDRN CCONC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000822580292 789886760 /nfs/dbraw/zinc/88/67/60/789886760.db2.gz UNAWPPUFBYGHLS-LBPRGKRZSA-N 0 0 293.367 1.772 20 10 CDCDRN CC[C@@H]1C[C@@H](C)CN1C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841057226 789886943 /nfs/dbraw/zinc/88/69/43/789886943.db2.gz YWBUTRZZCTUTBD-ZWNOBZJWSA-N 0 0 275.352 1.854 20 10 CDCDRN CNC(=O)CC1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000776349029 789893164 /nfs/dbraw/zinc/89/31/64/789893164.db2.gz UJSWKKGLCADKGJ-UHFFFAOYSA-N 0 0 292.335 1.086 20 10 CDCDRN COC(=O)c1cn(CCSc2nccs2)nn1 ZINC000779369376 789898975 /nfs/dbraw/zinc/89/89/75/789898975.db2.gz UCPGERYSZCAKEQ-UHFFFAOYSA-N 0 0 270.339 1.314 20 10 CDCDRN CC[C@@H](CS(=O)(=O)Nc1ccc(O)cc1C)OC ZINC000817354533 789912387 /nfs/dbraw/zinc/91/23/87/789912387.db2.gz XOFXZLYNGBFNLI-NSHDSACASA-N 0 0 273.354 1.867 20 10 CDCDRN O=C(OCc1noc2c1COCC2)C1=CC(=O)CS1 ZINC000922438471 789921431 /nfs/dbraw/zinc/92/14/31/789921431.db2.gz LXFBYCHLFRRGNG-UHFFFAOYSA-N 0 0 281.289 1.871 20 10 CDCDRN CC[C@@H](C)[C@H](OC)C(=O)NCc1ccc(O)c(O)c1 ZINC000793691048 789938677 /nfs/dbraw/zinc/93/86/77/789938677.db2.gz ZTNDJFPIDTZPQV-RNCFNFMXSA-N 0 0 267.325 1.775 20 10 CDCDRN CCNC(=O)C(C)(C)NC(=O)c1ccc(C)c(O)c1O ZINC000837266568 789940164 /nfs/dbraw/zinc/94/01/64/789940164.db2.gz CQTPZLCZDGIAFD-UHFFFAOYSA-N 0 0 280.324 1.051 20 10 CDCDRN Cn1cnnc1[C@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000821800624 789949431 /nfs/dbraw/zinc/94/94/31/789949431.db2.gz JZVPPCRHMWFPQL-VIFPVBQESA-N 0 0 292.364 1.602 20 10 CDCDRN COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)C1=CC(=O)CS1 ZINC000831794810 789979360 /nfs/dbraw/zinc/97/93/60/789979360.db2.gz SPFWBSMAVUDSJV-UWVGGRQHSA-N 0 0 299.348 1.246 20 10 CDCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCc1cn[nH]c1 ZINC000803400245 789985650 /nfs/dbraw/zinc/98/56/50/789985650.db2.gz WDMHQOOHICECAG-DUXPYHPUSA-N 0 0 260.249 1.578 20 10 CDCDRN CN(Cc1nc(C2CC2)nn1C)c1ccc(N)cc1 ZINC000863558534 789991566 /nfs/dbraw/zinc/99/15/66/789991566.db2.gz MLRPXFCSHLIQRL-UHFFFAOYSA-N 0 0 257.341 1.911 20 10 CDCDRN O=C(NCc1cc(Cl)ccc1O)C1(O)CCOCC1 ZINC000846474267 789992551 /nfs/dbraw/zinc/99/25/51/789992551.db2.gz SVYYUNCOYMLHBK-UHFFFAOYSA-N 0 0 285.727 1.203 20 10 CDCDRN CN1CCCC[C@@H](C(=O)NCc2ccccc2O)C1=O ZINC000821054647 789998033 /nfs/dbraw/zinc/99/80/33/789998033.db2.gz AOSUVGAZUSDHPZ-LBPRGKRZSA-N 0 0 276.336 1.267 20 10 CDCDRN 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C[C@@H](NC(=O)CC1OCCCO1)c1ccccc1O ZINC000827940832 790097570 /nfs/dbraw/zinc/09/75/70/790097570.db2.gz JDGHLODEHUMWSE-SNVBAGLBSA-N 0 0 265.309 1.723 20 10 CDCDRN C[C@@H](NC(=O)[C@@H]1CCCNC1=O)c1ccc(N(C)C)cc1 ZINC000867502947 790099679 /nfs/dbraw/zinc/09/96/79/790099679.db2.gz FZADQOSBXNODRK-BXUZGUMPSA-N 0 0 289.379 1.456 20 10 CDCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)N1CCCC1 ZINC000780607849 790099684 /nfs/dbraw/zinc/09/96/84/790099684.db2.gz IJZCGHCJVJMFCE-JTQLQIEISA-N 0 0 264.325 1.834 20 10 CDCDRN CCN(CC)c1ccc(CNC(=O)[C@H](C)NC(N)=O)cc1 ZINC000185680104 790113669 /nfs/dbraw/zinc/11/36/69/790113669.db2.gz COHUAZHUWUDYAB-NSHDSACASA-N 0 0 292.383 1.206 20 10 CDCDRN C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000841095103 790132132 /nfs/dbraw/zinc/13/21/32/790132132.db2.gz AFFFNWLIMUTXND-SKDRFNHKSA-N 0 0 261.325 1.512 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC000830141845 790190543 /nfs/dbraw/zinc/19/05/43/790190543.db2.gz ZHJAJRWQJNPRMT-CHWSQXEVSA-N 0 0 285.347 1.888 20 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20 10 CDCDRN C[C@@H](NC(=O)Cc1ccn(C)n1)c1ccccc1O ZINC000827940933 791366350 /nfs/dbraw/zinc/36/63/50/791366350.db2.gz KWTYJFKHFKDQMU-SNVBAGLBSA-N 0 0 259.309 1.546 20 10 CDCDRN CC1([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])COC1 ZINC000877690605 791403280 /nfs/dbraw/zinc/40/32/80/791403280.db2.gz CKKUDUZHDPXEQY-UHFFFAOYSA-N 0 0 272.688 1.832 20 10 CDCDRN O=C(C1=CC(=O)CS1)N1CCN(Cc2cn[nH]c2)CC1 ZINC000823016897 791587649 /nfs/dbraw/zinc/58/76/49/791587649.db2.gz JIAVZIOKRIKSLV-UHFFFAOYSA-N 0 0 292.364 1.135 20 10 CDCDRN O=C(C1=CC(=O)CS1)N1CCC(O)(C(F)F)CC1 ZINC000779478633 791664626 /nfs/dbraw/zinc/66/46/26/791664626.db2.gz QMNJFQBXJYODBE-UHFFFAOYSA-N 0 0 277.292 1.686 20 10 CDCDRN CCn1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)nn1 ZINC000931146283 791693655 /nfs/dbraw/zinc/69/36/55/791693655.db2.gz CAAKELAHTMXLJV-UHFFFAOYSA-N 0 0 291.330 1.433 20 10 CDCDRN Cc1cc(CC(=O)N[C@H](C)c2ccccc2O)n[nH]1 ZINC000827937199 791742585 /nfs/dbraw/zinc/74/25/85/791742585.db2.gz OIQBOPCSWCBPPM-SNVBAGLBSA-N 0 0 259.309 1.844 20 10 CDCDRN CCCN1CC(=O)N[C@@H]1c1cc(Cl)ccc1O ZINC000840823335 791753377 /nfs/dbraw/zinc/75/33/77/791753377.db2.gz WSDLMXCBLHNYIP-LBPRGKRZSA-N 0 0 254.717 1.886 20 10 CDCDRN CC(C)OC(=O)[C@H](C)NC(=O)c1c(F)ccc(O)c1O ZINC000839789407 791759172 /nfs/dbraw/zinc/75/91/72/791759172.db2.gz VXGAWRSAUGPJGC-ZETCQYMHSA-N 0 0 285.271 1.307 20 10 CDCDRN COC[C@@H](C)OC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000784286784 791771643 /nfs/dbraw/zinc/77/16/43/791771643.db2.gz NMYUXLMUXOCWIE-OTQAPUNGSA-N 0 0 252.266 1.689 20 10 CDCDRN Cc1ccc(C(=O)NC[C@]2(C)CCOC2)c(O)c1O ZINC000780939312 791771679 /nfs/dbraw/zinc/77/16/79/791771679.db2.gz PXTIWAHQMHZDEV-AWEZNQCLSA-N 0 0 265.309 1.563 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)Cc1cccnc1 ZINC000383731774 791799468 /nfs/dbraw/zinc/79/94/68/791799468.db2.gz MELMWXOHLJYNCP-UHFFFAOYSA-N 0 0 256.305 1.988 20 10 CDCDRN C[C@@H](Cn1ccnc1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779499490 791855115 /nfs/dbraw/zinc/85/51/15/791855115.db2.gz IBYIECNAWUNCPQ-TZNOJPMFSA-N 0 0 287.319 1.512 20 10 CDCDRN Cc1c(C)n(C)c2ccc(OS(=O)(=O)C3COC3)cc12 ZINC000817152045 791857545 /nfs/dbraw/zinc/85/75/45/791857545.db2.gz LCQOAHZAONUSJX-UHFFFAOYSA-N 0 0 295.360 1.903 20 10 CDCDRN Oc1ccccc1C[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000865682556 791865923 /nfs/dbraw/zinc/86/59/23/791865923.db2.gz HPRLHAHTVZWCQL-LLVKDONJSA-N 0 0 286.257 1.877 20 10 CDCDRN CCCN1C[C@@H](CNC(=O)C2=CC(=O)CS2)CC1=O ZINC000817764832 791893666 /nfs/dbraw/zinc/89/36/66/791893666.db2.gz LKAOPMMFWGLHKT-SECBINFHSA-N 0 0 282.365 1.442 20 10 CDCDRN Cc1ccc(C(=O)NC2CC(CCO)C2)c(O)c1O ZINC000889980331 791893757 /nfs/dbraw/zinc/89/37/57/791893757.db2.gz MYAACNPVCYVJBM-UHFFFAOYSA-N 0 0 265.309 1.297 20 10 CDCDRN COc1ccc(N2CCN(C(=O)NC3CC3)CC2)cc1F ZINC000084732706 791898032 /nfs/dbraw/zinc/89/80/32/791898032.db2.gz XPMGCZIZRYBOFB-UHFFFAOYSA-N 0 0 293.342 1.828 20 10 CDCDRN Cc1cc(N(C)C)ccc1CNC(=O)C1(C)COC1 ZINC000782296574 791923494 /nfs/dbraw/zinc/92/34/94/791923494.db2.gz MQRJCVGZRPJCQG-UHFFFAOYSA-N 0 0 262.353 1.714 20 10 CDCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)OC[C@H]2CCCO2)c1 ZINC000862758866 792018040 /nfs/dbraw/zinc/01/80/40/792018040.db2.gz OTJSRRNHXHUBSV-GXTWGEPZSA-N 0 0 293.363 1.901 20 10 CDCDRN CC[C@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)C(=O)OC ZINC000790788403 792028975 /nfs/dbraw/zinc/02/89/75/792028975.db2.gz WCAHPTPZCWTAFA-GXSJLCMTSA-N 0 0 295.335 1.777 20 10 CDCDRN CN1C(=O)C(=Cc2ccc3c(c2)CCCC3)C(=O)N(C)C1=O ZINC000792860858 792313141 /nfs/dbraw/zinc/31/31/41/792313141.db2.gz ZOOHEAUXYLYQCH-UHFFFAOYSA-N 0 0 298.342 1.999 20 10 CDCDRN CCN(CC)c1ccc(C[NH2+][C@@H](COC)C(=O)[O-])cc1F ZINC000841812700 792316083 /nfs/dbraw/zinc/31/60/83/792316083.db2.gz PJZPXZANQCMOFQ-ZDUSSCGKSA-N 0 0 298.358 1.861 20 10 CDCDRN CCCn1nccc1C(=O)NCc1ccc(O)c(O)c1 ZINC000830559009 792328900 /nfs/dbraw/zinc/32/89/00/792328900.db2.gz GLRILRQFHBKIBW-UHFFFAOYSA-N 0 0 275.308 1.634 20 10 CDCDRN COc1ccc(CNc2ncnc3c2ncn3C)c(O)c1 ZINC000795292041 792368484 /nfs/dbraw/zinc/36/84/84/792368484.db2.gz JNQNXNJHNFEFJI-UHFFFAOYSA-N 0 0 285.307 1.690 20 10 CDCDRN CCC1(C(=O)NCc2ccc(O)c(O)c2)COC1 ZINC000778919646 792395440 /nfs/dbraw/zinc/39/54/40/792395440.db2.gz IDMCXJLPJOHBKF-UHFFFAOYSA-N 0 0 251.282 1.141 20 10 CDCDRN C[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1c([O-])cccc1F ZINC000886556976 792396401 /nfs/dbraw/zinc/39/64/01/792396401.db2.gz OFRSFNVNTMVQRI-RNCFNFMXSA-N 0 0 255.289 1.333 20 10 CDCDRN CC[C@H](O)c1cn(Cc2ccc(N(C)C)cc2)nn1 ZINC000881272542 792400340 /nfs/dbraw/zinc/40/03/40/792400340.db2.gz ZHWODDUILASOMJ-AWEZNQCLSA-N 0 0 260.341 1.836 20 10 CDCDRN Cc1ccc(C(=O)N2C[C@H](O)C[C@@H]2C)c(O)c1O ZINC000788543474 792430962 /nfs/dbraw/zinc/43/09/62/792430962.db2.gz XZDREPOPHAILCI-DTWKUNHWSA-N 0 0 251.282 1.002 20 10 CDCDRN Cc1nnc(NC(=O)c2ccc(C)c(O)c2O)s1 ZINC000177667841 792465877 /nfs/dbraw/zinc/46/58/77/792465877.db2.gz HEPSWASLTPKHSF-UHFFFAOYSA-N 0 0 265.294 1.818 20 10 CDCDRN C[C@H](NS(=O)(=O)[C@@H]1CCOC[C@H]1C)c1ccccc1O ZINC000882503379 792528447 /nfs/dbraw/zinc/52/84/47/792528447.db2.gz ZBRGXULBTTUFJE-UHIISALHSA-N 0 0 299.392 1.798 20 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20 10 CDCDRN CC(=O)C(=O)COc1ccc(Br)nc1 ZINC000808033534 792819764 /nfs/dbraw/zinc/81/97/64/792819764.db2.gz MEOATIRBXWGOEG-UHFFFAOYSA-N 0 0 258.071 1.381 20 10 CDCDRN Cc1nc(C(=O)NCc2ccc(N(C)C)cc2)no1 ZINC000122506472 792857610 /nfs/dbraw/zinc/85/76/10/792857610.db2.gz ZGJDJOVVXGEYLZ-UHFFFAOYSA-N 0 0 260.297 1.374 20 10 CDCDRN C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858161721 792858956 /nfs/dbraw/zinc/85/89/56/792858956.db2.gz DIFAQPMYQRVZAF-LKFCYVNXSA-N 0 0 297.349 1.645 20 10 CDCDRN C[C@H]1CCN(S(=O)(=O)Nc2ccc(O)c(F)c2F)C1 ZINC000830185150 792861303 /nfs/dbraw/zinc/86/13/03/792861303.db2.gz VPUVJDNJAVHKOW-ZETCQYMHSA-N 0 0 292.307 1.669 20 10 CDCDRN Cc1cc(NCCNC(=O)C2=CC(=O)CS2)n(C)n1 ZINC000846644291 792929695 /nfs/dbraw/zinc/92/96/95/792929695.db2.gz UVCNCECTSBVHAK-UHFFFAOYSA-N 0 0 280.353 1.338 20 10 CDCDRN C[C@@H]1OC(=O)N[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000788627170 792947683 /nfs/dbraw/zinc/94/76/83/792947683.db2.gz PGKZYGSFYOWFCN-GXFFZTMASA-N 0 0 291.351 1.208 20 10 CDCDRN Cc1nc(=NCc2c(O)cccc2Br)n(C)[nH]1 ZINC000865291690 793024304 /nfs/dbraw/zinc/02/43/04/793024304.db2.gz OSGNBMJOTBRVTO-UHFFFAOYSA-N 0 0 297.156 1.626 20 10 CDCDRN Nc1ccc(CC(=O)NCCOCC(F)(F)F)cc1 ZINC000111633804 793027069 /nfs/dbraw/zinc/02/70/69/793027069.db2.gz XPRCUVDMQGSFBZ-UHFFFAOYSA-N 0 0 276.258 1.506 20 10 CDCDRN Cc1nn[nH]c1C(=O)NCCCSc1nccs1 ZINC000194109095 793043280 /nfs/dbraw/zinc/04/32/80/793043280.db2.gz PLWQOFCELUYPDK-UHFFFAOYSA-N 0 0 283.382 1.482 20 10 CDCDRN COc1ccc(CNC(=O)C[C@@H](C)n2cccn2)c(O)c1 ZINC000819520790 793130482 /nfs/dbraw/zinc/13/04/82/793130482.db2.gz PJWMMPNABWXWFP-LLVKDONJSA-N 0 0 289.335 1.865 20 10 CDCDRN O=C(NCc1cccc2c1OCO2)c1cccc(O)c1O ZINC000776338460 793220046 /nfs/dbraw/zinc/22/00/46/793220046.db2.gz IYJNRSBQTYPMBI-UHFFFAOYSA-N 0 0 287.271 1.757 20 10 CDCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ncn(C)n2)c1 ZINC000810347869 793289899 /nfs/dbraw/zinc/28/98/99/793289899.db2.gz NTGOEXMUWXTWJA-MRVPVSSYSA-N 0 0 276.296 1.020 20 10 CDCDRN CC1(C)CN(Cc2cc3c(cc2O)OCO3)CCO1 ZINC000029546533 793313079 /nfs/dbraw/zinc/31/30/79/793313079.db2.gz QZTZDEJNMXMWKL-UHFFFAOYSA-N 0 0 265.309 1.732 20 10 CDCDRN Cc1ccc(C(=O)NCCNc2cnccn2)c(O)c1O ZINC000780909690 793393146 /nfs/dbraw/zinc/39/31/46/793393146.db2.gz SMFPFJXLAJNTNZ-UHFFFAOYSA-N 0 0 288.307 1.038 20 10 CDCDRN Cc1cc(=O)c(C(=O)NCc2ccccc2O)c[nH]1 ZINC000230258113 793466951 /nfs/dbraw/zinc/46/69/51/793466951.db2.gz FZZUJZTYGVRIQF-UHFFFAOYSA-N 0 0 258.277 1.319 20 10 CDCDRN C[C@@H]1CSCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841954998 793692801 /nfs/dbraw/zinc/69/28/01/793692801.db2.gz SNNJVXOTWGFTRO-LLVKDONJSA-N 0 0 279.409 1.958 20 10 CDCDRN Nc1ccc(NC(=O)C(=O)NC2CCCCC2)cc1 ZINC000841000171 793693840 /nfs/dbraw/zinc/69/38/40/793693840.db2.gz OULYXMFSZLAUIL-UHFFFAOYSA-N 0 0 261.325 1.656 20 10 CDCDRN COc1ccc(CNC(=O)NCC2CC2)c(O)c1 ZINC000792787710 793759583 /nfs/dbraw/zinc/75/95/83/793759583.db2.gz RKCCUMWWPFQDPJ-UHFFFAOYSA-N 0 0 250.298 1.610 20 10 CDCDRN C[C@H](OCC1CC1)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783205697 793805839 /nfs/dbraw/zinc/80/58/39/793805839.db2.gz ZVOBVXNDGMKEEI-VIFPVBQESA-N 0 0 294.303 1.639 20 10 CDCDRN COC(=O)[C@@H]1CN(Cc2cc(Cl)ccc2O)CCO1 ZINC000093082253 793823262 /nfs/dbraw/zinc/82/32/62/793823262.db2.gz GWYXMEHIXTYIAY-LBPRGKRZSA-N 0 0 285.727 1.419 20 10 CDCDRN OC[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)C1CCOCC1 ZINC000834761961 793839263 /nfs/dbraw/zinc/83/92/63/793839263.db2.gz WJLOSYVPVVFREP-ZIAGYGMSSA-N 0 0 277.364 1.757 20 10 CDCDRN CC(C)(CO)[NH+]1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000775702460 793847161 /nfs/dbraw/zinc/84/71/61/793847161.db2.gz AGXRLSPUHKGZSB-UHFFFAOYSA-N 0 0 298.814 1.934 20 10 CDCDRN Cc1ccc(C(=O)NC[C@@H]2CCC[C@H](O)C2)c(O)c1O ZINC000182496846 793879195 /nfs/dbraw/zinc/87/91/95/793879195.db2.gz UYTXDCGQYAZLAD-MNOVXSKESA-N 0 0 279.336 1.687 20 10 CDCDRN CCS(=O)(=O)NCc1ccc(N(C)C)cc1C ZINC000115592808 793922816 /nfs/dbraw/zinc/92/28/16/793922816.db2.gz HHXXIQQOXBTTOJ-UHFFFAOYSA-N 0 0 256.371 1.500 20 10 CDCDRN C[C@H]([NH2+]CCC(=O)N(C)C)c1c([O-])cccc1F ZINC000886519595 793995677 /nfs/dbraw/zinc/99/56/77/793995677.db2.gz YVABGNFUZGQRFV-VIFPVBQESA-N 0 0 254.305 1.660 20 10 CDCDRN COc1cccc([C@H](C)Nc2cnn(CCO)c2)c1O ZINC000846161431 794002863 /nfs/dbraw/zinc/00/28/63/794002863.db2.gz YWWQGHLFXPFOPR-JTQLQIEISA-N 0 0 277.324 1.763 20 10 CDCDRN O=C(N[C@H]1CCn2cncc2C1)c1cccc(O)c1O ZINC000857947135 794191271 /nfs/dbraw/zinc/19/12/71/794191271.db2.gz LETRIXSJHMLLTB-VIFPVBQESA-N 0 0 273.292 1.039 20 10 CDCDRN CCC[C@@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)CCO1 ZINC000841077535 794215059 /nfs/dbraw/zinc/21/50/59/794215059.db2.gz CGCZAISDFXJIDH-CYBMUJFWSA-N 0 0 291.351 1.235 20 10 CDCDRN Cc1cccc(C[N@@H+](C)CCNC(=O)N(C)C)c1O ZINC000779432297 794261388 /nfs/dbraw/zinc/26/13/88/794261388.db2.gz QRPKRTRMBDMNNH-UHFFFAOYSA-N 0 0 265.357 1.404 20 10 CDCDRN COCCCOCCN(C)C(=O)c1cccc(O)c1O ZINC000790918054 794304016 /nfs/dbraw/zinc/30/40/16/794304016.db2.gz MIWIZOYGPIPKJS-UHFFFAOYSA-N 0 0 283.324 1.223 20 10 CDCDRN CC[NH+]1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708423284 794354600 /nfs/dbraw/zinc/35/46/00/794354600.db2.gz RGAVGEMPJMMMFD-UHFFFAOYSA-N 0 0 256.296 1.808 20 10 CDCDRN CO[C@@H](CNC(=O)NCc1cc(C)ccc1O)C1CC1 ZINC000858492847 794373341 /nfs/dbraw/zinc/37/33/41/794373341.db2.gz VTCPNTXLYSDLNP-AWEZNQCLSA-N 0 0 278.352 1.925 20 10 CDCDRN CCN1C[C@H](CNC(=O)Nc2ccc(N)cc2)CC1=O ZINC000846309492 794373546 /nfs/dbraw/zinc/37/35/46/794373546.db2.gz FXVSXOUYVMSACA-JTQLQIEISA-N 0 0 276.340 1.259 20 10 CDCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2CCCC23OCCO3)c1 ZINC000883178602 794417701 /nfs/dbraw/zinc/41/77/01/794417701.db2.gz AFOSSPDFDOERRC-CYBMUJFWSA-N 0 0 294.307 1.686 20 10 CDCDRN CC(C)C(=O)NCCNC(=O)N[C@H](C)c1ccccc1O ZINC000868015653 794513762 /nfs/dbraw/zinc/51/37/62/794513762.db2.gz BMXNUDZUFFAAMS-LLVKDONJSA-N 0 0 293.367 1.525 20 10 CDCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1cc(C)n[nH]1 ZINC000808094266 794592033 /nfs/dbraw/zinc/59/20/33/794592033.db2.gz HZULBWNXPNHDAG-UHFFFAOYSA-N 0 0 294.351 1.768 20 10 CDCDRN C[C@H](NC(=O)c1cccc(O)c1O)[C@H](O)C(F)(F)F ZINC000819566869 794602285 /nfs/dbraw/zinc/60/22/85/794602285.db2.gz SUFMTZSGQDYJFG-CDUCUWFYSA-N 0 0 279.214 1.139 20 10 CDCDRN C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccccc2O)CO1 ZINC000828419576 794633048 /nfs/dbraw/zinc/63/30/48/794633048.db2.gz FPRBBZPVKDDRIO-PWSUYJOCSA-N 0 0 264.325 1.711 20 10 CDCDRN CCOCCCN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819165672 794759474 /nfs/dbraw/zinc/75/94/74/794759474.db2.gz CEDTYNIPEXUTLX-UHFFFAOYSA-N 0 0 292.335 1.583 20 10 CDCDRN C[C@@H]1C[C@H](NC(=O)c2cccc(O)c2O)c2nccn21 ZINC000836960088 794850669 /nfs/dbraw/zinc/85/06/69/794850669.db2.gz OZORRPHMXPCUBN-SCZZXKLOSA-N 0 0 273.292 1.730 20 10 CDCDRN Cc1ccc(O)c(CNC(=O)[C@@H](C)n2cncn2)c1 ZINC000862758411 794885837 /nfs/dbraw/zinc/88/58/37/794885837.db2.gz YDYMAJDNCXUUKS-SNVBAGLBSA-N 0 0 260.297 1.170 20 10 CDCDRN CN1CCN(Cc2cc3c(cc2O)CCCC3)CC1=O ZINC000844729650 794944048 /nfs/dbraw/zinc/94/40/48/794944048.db2.gz GHQYBKJYHNDYSB-UHFFFAOYSA-N 0 0 274.364 1.545 20 10 CDCDRN Cn1cc(/C=C\C(=O)N2C[C@@H](CO)Cc3ccccc32)cn1 ZINC000816782626 795043014 /nfs/dbraw/zinc/04/30/14/795043014.db2.gz BXJNKGGTYPWHAF-AFNCTOJWSA-N 0 0 297.358 1.631 20 10 CDCDRN CCCNC(=O)CNC(=O)NCc1cc(Cl)ccc1O ZINC000844863538 795050978 /nfs/dbraw/zinc/05/09/78/795050978.db2.gz RWJBZAXGVZNEIY-UHFFFAOYSA-N 0 0 299.758 1.371 20 10 CDCDRN Cc1ocnc1CNC(=O)NCc1cc(C)ccc1O ZINC000858341073 795087116 /nfs/dbraw/zinc/08/71/16/795087116.db2.gz XMQUDPPHHISXHF-UHFFFAOYSA-N 0 0 275.308 1.996 20 10 CDCDRN COC(=O)C[C@@H](C)C(=O)NCc1cc(C)ccc1O ZINC000862757809 795255732 /nfs/dbraw/zinc/25/57/32/795255732.db2.gz DVXVVWIWOPTKEX-SNVBAGLBSA-N 0 0 265.309 1.516 20 10 CDCDRN O=C1NC[C@@H](CSc2ncc(Cl)s2)O1 ZINC000849999353 795311713 /nfs/dbraw/zinc/31/17/13/795311713.db2.gz ZCFKZWJIUPOQIB-BYPYZUCNSA-N 0 0 250.732 1.997 20 10 CDCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCCc1ccncc1 ZINC000779502123 795331275 /nfs/dbraw/zinc/33/12/75/795331275.db2.gz ZBUWGBWWSNKVGC-DUXPYHPUSA-N 0 0 284.315 1.865 20 10 CDCDRN C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)C1(CO)CC1 ZINC000853830313 795344874 /nfs/dbraw/zinc/34/48/74/795344874.db2.gz SATOWURYEIAPQB-GFCCVEGCSA-N 0 0 291.395 1.713 20 10 CDCDRN COc1cccc(CN2CCS(=O)(=O)[C@H](C)[C@H]2C)c1O ZINC000093560150 795375511 /nfs/dbraw/zinc/37/55/11/795375511.db2.gz USUCHGCACZTXBD-GHMZBOCLSA-N 0 0 299.392 1.408 20 10 CDCDRN C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)c1nncn1C ZINC000805508830 795422500 /nfs/dbraw/zinc/42/25/00/795422500.db2.gz NWBPVQRBHSVFBF-OTQAPUNGSA-N 0 0 289.291 1.544 20 10 CDCDRN O=C(C[C@H]1CCC(=O)N1)NCc1cc(Cl)ccc1O ZINC000855022786 795422706 /nfs/dbraw/zinc/42/27/06/795422706.db2.gz JCZCZBZQPKDXSV-SNVBAGLBSA-N 0 0 282.727 1.331 20 10 CDCDRN C[C@@H](CS(C)(=O)=O)N(C)Cc1c(O)cccc1Cl ZINC000125946504 795585055 /nfs/dbraw/zinc/58/50/55/795585055.db2.gz LUOHNFHTLPXXBG-VIFPVBQESA-N 0 0 291.800 1.911 20 10 CDCDRN Cc1nc(NC(=O)C=Cc2ccc(O)c(O)c2)n[nH]1 ZINC000181039842 795599071 /nfs/dbraw/zinc/59/90/71/795599071.db2.gz OMCQPYQXAHACFF-HWKANZROSA-N 0 0 260.253 1.176 20 10 CDCDRN COc1cc(C)cc(CN2CCO[C@H](C)C2)c1O ZINC000192596838 795645996 /nfs/dbraw/zinc/64/59/96/795645996.db2.gz ATJQHQLQJYRZFI-LLVKDONJSA-N 0 0 251.326 1.930 20 10 CDCDRN CC[C@@](C)(CNC(=O)c1ccc(C)c(O)c1O)OC ZINC000836823684 795708618 /nfs/dbraw/zinc/70/86/18/795708618.db2.gz MIOBTMYAONPQPA-AWEZNQCLSA-N 0 0 267.325 1.951 20 10 CDCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1NC(=O)O[C@@H]1C ZINC000788656902 795725102 /nfs/dbraw/zinc/72/51/02/795725102.db2.gz YWSJLRBUVXDNCJ-MFKMUULPSA-N 0 0 292.335 1.628 20 10 CDCDRN C[C@H]([NH2+]C[C@@H]1CNCCO1)c1cc(F)cc(F)c1[O-] ZINC000817983985 795819455 /nfs/dbraw/zinc/81/94/55/795819455.db2.gz SZBYCHICCTXCLG-WPRPVWTQSA-N 0 0 272.295 1.309 20 10 CDCDRN CCC[C@@H]1CN(C(=O)c2cccc(O)c2O)CCO1 ZINC000189541186 795843943 /nfs/dbraw/zinc/84/39/43/795843943.db2.gz VMLIODNNSFAJJC-SNVBAGLBSA-N 0 0 265.309 1.739 20 10 CDCDRN CC1=NO[C@@H](C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000827963215 795845497 /nfs/dbraw/zinc/84/54/97/795845497.db2.gz ZYGFLUSWUAQQIQ-CQSZACIVSA-N 0 0 275.352 1.842 20 10 CDCDRN Cc1ccn(CC(=O)N(C)Cc2ccccc2O)n1 ZINC000825481778 795877907 /nfs/dbraw/zinc/87/79/07/795877907.db2.gz VEEYWWILXXVNLE-UHFFFAOYSA-N 0 0 259.309 1.556 20 10 CDCDRN COC[C@@H](NC(=O)c1ccc(C)c(O)c1O)C(C)C ZINC000780955018 795878327 /nfs/dbraw/zinc/87/83/27/795878327.db2.gz SLJAOHQZRPNXOO-LLVKDONJSA-N 0 0 267.325 1.807 20 10 CDCDRN O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)c1c(F)ccc(O)c1O ZINC000294753430 795879979 /nfs/dbraw/zinc/87/99/79/795879979.db2.gz ARHBLIRXQZDKBL-YNEQXMIYSA-N 0 0 267.256 1.287 20 10 CDCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C/C=C/CO)c1[O-] ZINC000850357213 795891255 /nfs/dbraw/zinc/89/12/55/795891255.db2.gz BENDNQALUPWMJW-OWOJBTEDSA-N 0 0 272.688 1.592 20 10 CDCDRN CCN(CC[S@@](C)=O)c1ccc(OC)c(OC)c1 ZINC000828162780 795894545 /nfs/dbraw/zinc/89/45/45/795894545.db2.gz NULRCZFBRXGVRF-GOSISDBHSA-N 0 0 271.382 1.909 20 10 CDCDRN CCN1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001031464458 796157168 /nfs/dbraw/zinc/15/71/68/796157168.db2.gz SFXJWHLBQZTCLQ-UHFFFAOYSA-N 0 0 275.312 1.283 20 10 CDCDRN CCOC(=O)[C@H](CC)C(=O)N(C)Cc1ccccc1O ZINC000839541902 796206085 /nfs/dbraw/zinc/20/60/85/796206085.db2.gz JGEVFBTYFYRNES-GFCCVEGCSA-N 0 0 279.336 1.940 20 10 CDCDRN Cc1ccc([C@H](O)CNC(=O)c2cccc(O)c2O)o1 ZINC000790769743 796215360 /nfs/dbraw/zinc/21/53/60/796215360.db2.gz XXKIPWMBXQWDIU-LLVKDONJSA-N 0 0 277.276 1.463 20 10 CDCDRN CC(C)(C)n1nnc(CN[C@H]2CCc3cccc(O)c32)n1 ZINC000848561436 796306349 /nfs/dbraw/zinc/30/63/49/796306349.db2.gz WCYUTOJVDYHTSJ-NSHDSACASA-N 0 0 287.367 1.911 20 10 CDCDRN C[C@@H]1C[C@H](NC(=O)NCc2ccc(N)cc2)[C@H](C)O1 ZINC001336238541 1167477781 /nfs/dbraw/zinc/47/77/81/1167477781.db2.gz FLLGFWCMUIMWJQ-NRUUGDAUSA-N 0 0 263.341 1.634 20 10 CDCDRN Cn1cnc2c1CN(Cc1cc(F)ccc1O)CC2 ZINC001140060047 894781862 /nfs/dbraw/zinc/78/18/62/894781862.db2.gz ILQTYTUXNFRABV-UHFFFAOYSA-N 0 0 261.300 1.823 20 10 CDCDRN CN(c1nccs1)S(=O)(=O)Cc1ccc(N)cc1 ZINC001210990427 895519370 /nfs/dbraw/zinc/51/93/70/895519370.db2.gz RSBGQTJFUHMOIT-UHFFFAOYSA-N 0 0 283.378 1.692 20 10 CDCDRN CN1CC[C@]2(CCC[N@@H+]2Cc2c([O-])cc(F)cc2F)C1=O ZINC001272616780 914182422 /nfs/dbraw/zinc/18/24/22/914182422.db2.gz NOPBQMCTWDXBRO-OAHLLOKOSA-N 0 0 296.317 1.867 20 10 CDCDRN N=c1c(N)c(Cl)ccn1C(=O)Cc1ccc(N)cc1 ZINC001218567157 899077679 /nfs/dbraw/zinc/07/76/79/899077679.db2.gz OBOOISBRRJMIJQ-UHFFFAOYSA-N 0 0 276.727 1.668 20 10 CDCDRN CN(CC(=O)NCc1ccccc1O)c1ccccn1 ZINC001177413474 914670744 /nfs/dbraw/zinc/67/07/44/914670744.db2.gz CTUSPRDURGWHMA-UHFFFAOYSA-N 0 0 271.320 1.540 20 10 CDCDRN O=S(=O)(NCc1cccc(O)c1O)c1ccoc1 ZINC001188631405 921133623 /nfs/dbraw/zinc/13/36/23/921133623.db2.gz DQLLKDIUQFZIMB-UHFFFAOYSA-N 0 0 269.278 1.169 20 10 CDCDRN Oc1cc(O)c(CCNc2cccc3ncnn32)cc1O ZINC001168005251 905339047 /nfs/dbraw/zinc/33/90/47/905339047.db2.gz BIKAKYJDVWKLHK-UHFFFAOYSA-N 0 0 286.291 1.501 20 10 CDCDRN Cc1cc(NCCc2cc(O)c(O)cc2O)ncn1 ZINC001168006145 905352489 /nfs/dbraw/zinc/35/24/89/905352489.db2.gz SWJHDNCTBAODCL-UHFFFAOYSA-N 0 0 261.281 1.556 20 10 CDCDRN CC(C)(C)c1cccc(CN2CCO[C@H](CO)C2)c1O ZINC001143103622 921259026 /nfs/dbraw/zinc/25/90/26/921259026.db2.gz HPFNMHGENAFXGA-ZDUSSCGKSA-N 0 0 279.380 1.883 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1CCOC1 ZINC000179153095 908214423 /nfs/dbraw/zinc/21/44/23/908214423.db2.gz LKRJKEPHPUIKAK-NSHDSACASA-N 0 0 250.298 1.323 20 10 CDCDRN [NH3+][C@H]1CN(Cc2ccc(C(=O)[O-])cc2O)CC(F)(F)C1 ZINC001206133160 909600862 /nfs/dbraw/zinc/60/08/62/909600862.db2.gz YEGMMGFPWQOEDS-SNVBAGLBSA-N 0 0 286.278 1.259 20 10 CDCDRN Cn1cc2c(n1)CCN(C(=O)/C=C/c1ccc(O)c(O)c1)C2 ZINC001179684056 915922175 /nfs/dbraw/zinc/92/21/75/915922175.db2.gz JZTKVHVSTUFXKT-HWKANZROSA-N 0 0 299.330 1.429 20 10 CDCDRN C[C@H]1C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CCO1 ZINC001179691421 915930313 /nfs/dbraw/zinc/93/03/13/915930313.db2.gz NQNMNWUXQGPYHZ-ZIAVJRNFSA-N 0 0 277.320 1.795 20 10 CDCDRN C[C@@]1(C(=O)N2CCc3cccc(O)c3C2)CCCO1 ZINC001180469390 916399145 /nfs/dbraw/zinc/39/91/45/916399145.db2.gz KMIBOXXGLWVMLN-HNNXBMFYSA-N 0 0 261.321 1.846 20 10 CDCDRN COC(=O)c1cc(Nc2c(O)cccc2F)ccn1 ZINC001249989133 916686624 /nfs/dbraw/zinc/68/66/24/916686624.db2.gz MERLSVBVDGTJPU-UHFFFAOYSA-N 0 0 262.240 1.878 20 10 CDCDRN COC(=O)[C@]1(C)COCCN1Cc1c(O)cccc1F ZINC001137841430 936420300 /nfs/dbraw/zinc/42/03/00/936420300.db2.gz DWOSQYMMTGIWAB-AWEZNQCLSA-N 0 0 283.299 1.295 20 10 CDCDRN O=C(CCc1ccc(O)c(O)c1)N[C@@H](CO)C(F)(F)F ZINC001182155996 917695879 /nfs/dbraw/zinc/69/58/79/917695879.db2.gz ZCYYZFPIAONGTA-JTQLQIEISA-N 0 0 293.241 1.070 20 10 CDCDRN O=C(COCC1CC1)N1CCc2cccc(O)c2C1 ZINC001182479047 917904588 /nfs/dbraw/zinc/90/45/88/917904588.db2.gz GKFIPNYCNXYMKN-UHFFFAOYSA-N 0 0 261.321 1.704 20 10 CDCDRN CC(C)(C)N1CCN(Cc2cccc(F)c2O)CC1=O ZINC001138128655 936475377 /nfs/dbraw/zinc/47/53/77/936475377.db2.gz SQAPOUAXPPSDSV-UHFFFAOYSA-N 0 0 280.343 1.974 20 10 CDCDRN CC[C@H](C)C(=O)C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001184318202 919030462 /nfs/dbraw/zinc/03/04/62/919030462.db2.gz PRNCJISAELSINV-JTQLQIEISA-N 0 0 291.347 1.988 20 10 CDCDRN O=S(=O)(NCc1ccc(O)c(O)c1)c1ccsc1 ZINC001185405626 919600759 /nfs/dbraw/zinc/60/07/59/919600759.db2.gz QGCJGDHRKRETAV-UHFFFAOYSA-N 0 0 285.346 1.638 20 10 CDCDRN CN(C)c1ccc(CN(C)Cc2nccnc2N)cc1 ZINC001140011798 936668158 /nfs/dbraw/zinc/66/81/58/936668158.db2.gz BNISYESQMIFKDV-UHFFFAOYSA-N 0 0 271.368 1.757 20 10 CDCDRN O=S(=O)(NCc1ccc(O)cc1O)c1nccs1 ZINC001187913283 920729967 /nfs/dbraw/zinc/72/99/67/920729967.db2.gz VUHGTUKWPATMLK-UHFFFAOYSA-N 0 0 286.334 1.033 20 10 CDCDRN COC(=O)[C@]1(C)COCCN1Cc1cc(F)ccc1O ZINC001140056424 936674996 /nfs/dbraw/zinc/67/49/96/936674996.db2.gz WNYVCJKGYGUAHL-AWEZNQCLSA-N 0 0 283.299 1.295 20 10 CDCDRN O=S(=O)(NCc1ccc(O)c(O)c1)C1CCC1 ZINC001188154469 920849780 /nfs/dbraw/zinc/84/97/80/920849780.db2.gz CIGYMUUBJOCZOX-UHFFFAOYSA-N 0 0 257.311 1.070 20 10 CDCDRN COC(=O)[C@@H](NC(=O)N(C)Cc1ccccc1O)C(C)C ZINC001190229826 921907868 /nfs/dbraw/zinc/90/78/68/921907868.db2.gz CLHRXQKTDYMAHV-ZDUSSCGKSA-N 0 0 294.351 1.731 20 10 CDCDRN Cc1ncnc(C)c1C(=O)N1CCc2cccc(O)c2C1 ZINC001191315288 922504738 /nfs/dbraw/zinc/50/47/38/922504738.db2.gz KFJKVEKYSKBBNM-UHFFFAOYSA-N 0 0 283.331 1.998 20 10 CDCDRN Cn1cc2c(n1)CCN(Cc1c(O)cccc1F)C2 ZINC001137837624 922983772 /nfs/dbraw/zinc/98/37/72/922983772.db2.gz OAYBBHWUGDXGLS-UHFFFAOYSA-N 0 0 261.300 1.823 20 10 CDCDRN Cc1ccc(C(=O)N[C@H](C)Cc2cnn(C)c2)c(O)c1O ZINC000836980599 936814694 /nfs/dbraw/zinc/81/46/94/936814694.db2.gz SGXKYARBZMWMBH-SNVBAGLBSA-N 0 0 289.335 1.501 20 10 CDCDRN CN(CC(=O)OC(C)(C)C)Cc1cc(O)ccc1O ZINC001141158270 936822493 /nfs/dbraw/zinc/82/24/93/936822493.db2.gz WLXVTLVEXBVZDC-UHFFFAOYSA-N 0 0 267.325 1.871 20 10 CDCDRN CN1CCOc2cc(CN3CC(F)(CO)C3)ccc21 ZINC001141139768 936818765 /nfs/dbraw/zinc/81/87/65/936818765.db2.gz BERHOWIJQPDRDD-UHFFFAOYSA-N 0 0 266.316 1.031 20 10 CDCDRN COc1cc(C(=O)NCc2ncccc2C)cc(O)c1O ZINC001193083184 923431216 /nfs/dbraw/zinc/43/12/16/923431216.db2.gz YBPMFRIBZRSAMV-UHFFFAOYSA-N 0 0 288.303 1.740 20 10 CDCDRN 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Nc1ccc(CCn2cc(C3CCOCC3)nn2)cc1 ZINC001254081001 952187142 /nfs/dbraw/zinc/18/71/42/952187142.db2.gz GROCXDXDIREHMW-UHFFFAOYSA-N 0 0 272.352 1.997 20 10 CDCDRN CN1C[C@H](COC(=O)/C=C/c2ccc(O)c(O)c2)OC1=O ZINC001324492687 953414553 /nfs/dbraw/zinc/41/45/53/953414553.db2.gz YPSZGNXHNKQWDZ-RXNUUUNCSA-N 0 0 293.275 1.105 20 10 CDCDRN CO[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C[C@@H]1C ZINC001324597956 953460350 /nfs/dbraw/zinc/46/03/50/953460350.db2.gz UIBHQFARUBCXAE-GZMMTYOYSA-N 0 0 283.299 1.734 20 10 CDCDRN CC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(=O)[O-] ZINC001329426491 955906808 /nfs/dbraw/zinc/90/68/08/955906808.db2.gz DZUVBJKNHLEEPV-QMMMGPOBSA-N 0 0 253.254 1.074 20 10 CDCDRN O=C(NCc1cc(O)ccc1O)[C@@H]1CCCCO1 ZINC001303225663 956066260 /nfs/dbraw/zinc/06/62/60/956066260.db2.gz MGTJMIVRAVNRNS-LBPRGKRZSA-N 0 0 251.282 1.283 20 10 CDCDRN O=C(CCc1ncccn1)NCc1cc(O)ccc1O ZINC001303225179 956068853 /nfs/dbraw/zinc/06/88/53/956068853.db2.gz ALGCHHYWLQJUAU-UHFFFAOYSA-N 0 0 273.292 1.137 20 10 CDCDRN O=C(CO[C@@H]1CCOC1)NCc1cc(Cl)ccc1O ZINC001329746741 956096412 /nfs/dbraw/zinc/09/64/12/956096412.db2.gz UQWREIAYLSARQI-LLVKDONJSA-N 0 0 285.727 1.467 20 10 CDCDRN Cc1nn(C)cc1S(=O)(=O)N[C@H](C)c1ccccc1O ZINC001329927152 956183176 /nfs/dbraw/zinc/18/31/76/956183176.db2.gz PRRLAUMMUGZGDH-SECBINFHSA-N 0 0 295.364 1.474 20 10 CDCDRN Cc1ccnn1CC(=O)NCc1ccc(N(C)C)cc1 ZINC001329979384 956214777 /nfs/dbraw/zinc/21/47/77/956214777.db2.gz MXTJCOJFPGEDAD-UHFFFAOYSA-N 0 0 272.352 1.574 20 10 CDCDRN COC(=O)c1ccc(NCc2cc(C)ccc2O)nn1 ZINC001307169904 956373905 /nfs/dbraw/zinc/37/39/05/956373905.db2.gz QUWSJSXJNZTWRF-UHFFFAOYSA-N 0 0 273.292 1.889 20 10 CDCDRN COC(=O)c1nccc(NCc2cc(C)ccc2O)n1 ZINC001307170535 956374237 /nfs/dbraw/zinc/37/42/37/956374237.db2.gz XLSSKRUCOPXJKE-UHFFFAOYSA-N 0 0 273.292 1.311 20 10 CDCDRN O=C1C[C@@H]([NH2+]Cc2cc(F)c(F)cc2[O-])CN1CC1CC1 ZINC001308918317 956598340 /nfs/dbraw/zinc/59/83/40/956598340.db2.gz PASXWPAORAFGJM-LLVKDONJSA-N 0 0 296.317 1.771 20 10 CDCDRN Cc1nn(C)c(C)c1[C@@H](O)C[NH2+]Cc1cccc(F)c1[O-] ZINC001308978877 956609920 /nfs/dbraw/zinc/60/99/20/956609920.db2.gz PMTWAFLFQUKTFK-ZDUSSCGKSA-N 0 0 293.342 1.705 20 10 CDCDRN Cn1cccc(NC(=O)NCc2c(O)cccc2F)c1=O ZINC001310339084 956683907 /nfs/dbraw/zinc/68/39/07/956683907.db2.gz LOKAWIVMFQPQDQ-UHFFFAOYSA-N 0 0 291.282 1.552 20 10 CDCDRN CCCCN(C)C(=O)C(=O)N(C)Cc1ccccc1O ZINC001330893347 956689525 /nfs/dbraw/zinc/68/95/25/956689525.db2.gz WLAOVXQZIPBQBS-UHFFFAOYSA-N 0 0 278.352 1.609 20 10 CDCDRN C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)C[C@H]1C ZINC001330995393 956749186 /nfs/dbraw/zinc/74/91/86/956749186.db2.gz BGOSYKPILOQRIA-VXGBXAGGSA-N 0 0 290.363 1.465 20 10 CDCDRN CN1CCN(c2ccc(CNCC(F)F)cc2F)CC1 ZINC001328728411 956912328 /nfs/dbraw/zinc/91/23/28/956912328.db2.gz MVIVEASYMCCPEG-UHFFFAOYSA-N 0 0 287.329 1.932 20 10 CDCDRN COCC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C(=O)[O-] ZINC001332221785 957481874 /nfs/dbraw/zinc/48/18/74/957481874.db2.gz ISAYFZDFSYQUKU-GFCCVEGCSA-N 0 0 265.309 1.201 20 10 CDCDRN Cc1nnc(CCC(=O)N(C)Cc2ccccc2O)o1 ZINC001332454411 957571787 /nfs/dbraw/zinc/57/17/87/957571787.db2.gz LQFYSBVYFYYAGS-UHFFFAOYSA-N 0 0 275.308 1.675 20 10 CDCDRN Cc1ccc(C(=O)N2CCC[C@](C)(CO)C2)c(O)c1O ZINC001320203240 959006088 /nfs/dbraw/zinc/00/60/88/959006088.db2.gz PKOMRYQOUOBADR-HNNXBMFYSA-N 0 0 279.336 1.641 20 10 CDCDRN C[C@@H](NC(=O)NCc1ccc(N)cc1)C1CCOCC1 ZINC001335666040 959964196 /nfs/dbraw/zinc/96/41/96/959964196.db2.gz NXICDTJVCFALJL-LLVKDONJSA-N 0 0 277.368 1.883 20 10 CDCDRN C[C@@H]1c2nncn2CCN1C(=O)NCc1ccc(N)cc1 ZINC001335724104 959991798 /nfs/dbraw/zinc/99/17/98/959991798.db2.gz GNVAYICKCCXHKQ-SNVBAGLBSA-N 0 0 286.339 1.147 20 10 CDCDRN CCCNC(=O)[C@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC001336158989 960230427 /nfs/dbraw/zinc/23/04/27/960230427.db2.gz XBWBDMAKVPLMDZ-VIFPVBQESA-N 0 0 280.324 1.051 20 10 CDCDRN CCn1cc(CNC(=O)NCc2ccc(N)cc2)cn1 ZINC001336876787 960692678 /nfs/dbraw/zinc/69/26/78/960692678.db2.gz MJXCYEPTJYDKDC-UHFFFAOYSA-N 0 0 273.340 1.485 20 10 CDCDRN Cn1c(C2SC=CC2=O)nnc1N1CCCOCC1 ZINC001337958815 961541188 /nfs/dbraw/zinc/54/11/88/961541188.db2.gz WVASEKZPGOYJPB-UHFFFAOYSA-N 0 0 280.353 1.476 20 10 CDCDRN Nc1cc(NCc2ccc(N3CCC(O)CC3)cc2)ncn1 ZINC001338044039 961589207 /nfs/dbraw/zinc/58/92/07/961589207.db2.gz WYROOJMYGUFAOK-UHFFFAOYSA-N 0 0 299.378 1.632 20 10 CDCDRN C[C@@H]1CN(c2nnc(C3SC=CC3=O)n2C)C[C@H](C)O1 ZINC001339452725 962367381 /nfs/dbraw/zinc/36/73/81/962367381.db2.gz BTWRUAIDBAMJLA-DTORHVGOSA-N 0 0 294.380 1.863 20 10 CDCDRN CCn1c(C2SC=CC2=O)nnc1N(C)CCOC ZINC001342569657 963767526 /nfs/dbraw/zinc/76/75/26/963767526.db2.gz OEVARDWCQZMCHS-UHFFFAOYSA-N 0 0 282.369 1.815 20 10 CDCDRN Cc1noc(C)c1CCC(=O)NCc1cccc(O)c1O ZINC001347234378 965431878 /nfs/dbraw/zinc/43/18/78/965431878.db2.gz NISOQWWHVYWLGM-UHFFFAOYSA-N 0 0 290.319 1.952 20 10 CDCDRN O=C(CC1(O)CCCC1)NCc1cccc(O)c1O ZINC001349079800 966264869 /nfs/dbraw/zinc/26/48/69/966264869.db2.gz RCVPDTLVHBJKCE-UHFFFAOYSA-N 0 0 265.309 1.409 20 10 CDCDRN C[C@H]1CCCN(C(=O)CCNC(=O)C2=CC(=O)CS2)C1 ZINC001350882391 966786326 /nfs/dbraw/zinc/78/63/26/966786326.db2.gz WYMUDEIAOIBUKO-JTQLQIEISA-N 0 0 296.392 1.832 20 10 CDCDRN CC1(C)C[C@@](C)(NC(=O)NCc2ccccc2O)C(=O)O1 ZINC001351983277 967044693 /nfs/dbraw/zinc/04/46/93/967044693.db2.gz LCTJNPXJTSWCCE-OAHLLOKOSA-N 0 0 292.335 1.676 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)C(=O)NCC1CC=CC1 ZINC001352367064 967213286 /nfs/dbraw/zinc/21/32/86/967213286.db2.gz UHDGNUXPNAVXAX-UHFFFAOYSA-N 0 0 288.347 1.433 20 10 CDCDRN Cc1cnc(CCNC(=O)NCc2ccc(N)cc2)cn1 ZINC001353413541 967961806 /nfs/dbraw/zinc/96/18/06/967961806.db2.gz KLJKGPXRZGDDDA-UHFFFAOYSA-N 0 0 285.351 1.409 20 10 CDCDRN C[C@@](O)(C[NH2+]Cc1ccc2ccccc2c1O)C(=O)[O-] ZINC001609972124 970620860 /nfs/dbraw/zinc/62/08/60/970620860.db2.gz BMOHNBKNHGBJQQ-OAHLLOKOSA-N 0 0 275.304 1.471 20 10 CDCDRN COc1cc(C)c(C[NH2+]C[C@@H](C)C(=O)[O-])c(O)c1 ZINC001604695361 973893846 /nfs/dbraw/zinc/89/38/46/973893846.db2.gz PJUQHHDOFMHHGL-SECBINFHSA-N 0 0 253.298 1.520 20 10 CDCDRN C[C@H](CCO)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001592529380 978386036 /nfs/dbraw/zinc/38/60/36/978386036.db2.gz QDAYWGXEOPSKBQ-RKDXNWHRSA-N 0 0 253.298 1.512 20 10 CDCDRN C[C@H]([NH2+]CCCCO)c1cc(C(=O)[O-])ccc1O ZINC001593265196 994570856 /nfs/dbraw/zinc/57/08/56/994570856.db2.gz QUMLHKGQLWTXDN-VIFPVBQESA-N 0 0 253.298 1.514 20 10 CDCDRN COc1ccc(C[NH2+]CC2(C(=O)[O-])CC2)c(O)c1OC ZINC001599571401 998371306 /nfs/dbraw/zinc/37/13/06/998371306.db2.gz HBMYLJNLQBGNQY-UHFFFAOYSA-N 0 0 281.308 1.364 20 10 CDCDRN CC(C)C[C@]1(C(=O)Oc2ccc(N)cc2)CCNC1=O ZINC001575548912 1171197642 /nfs/dbraw/zinc/19/76/42/1171197642.db2.gz DMVULHCQNAAYGW-OAHLLOKOSA-N 0 0 276.336 1.727 20 10 CDCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1COCCO1 ZINC000048121501 342155379 /nfs/dbraw/zinc/15/53/79/342155379.db2.gz OGGYZCPANCWLSZ-OAHLLOKOSA-N 0 0 292.379 1.517 20 10 CDCDRN COC(=O)CC(C)(C)CC(=O)NCCc1ccc(N)cc1 ZINC001578796465 1172010506 /nfs/dbraw/zinc/01/05/06/1172010506.db2.gz FKKIFMLXCVWDHN-UHFFFAOYSA-N 0 0 292.379 1.907 20 10 CDCDRN COCCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000031726599 356769100 /nfs/dbraw/zinc/76/91/00/356769100.db2.gz DLXIOYIOKFKKHQ-UHFFFAOYSA-N 0 0 251.330 1.198 20 10 CDCDRN Oc1ccc(Br)cc1CN1CCOCC1 ZINC000082318499 357068826 /nfs/dbraw/zinc/06/88/26/357068826.db2.gz JBUKGAGQXRBQIW-UHFFFAOYSA-N 0 0 272.142 1.987 20 10 CDCDRN CC1(C)CCC[C@@]1(O)CNC(=O)c1cccc(O)c1O ZINC000294476295 199054868 /nfs/dbraw/zinc/05/48/68/199054868.db2.gz RFGLMRQIEHKCMP-OAHLLOKOSA-N 0 0 279.336 1.769 20 10 CDCDRN O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cccc(O)c1O ZINC000193134325 358268764 /nfs/dbraw/zinc/26/87/64/358268764.db2.gz OSZQJQOKOGLODY-XWIASGKRSA-N 0 0 277.320 1.785 20 10 CDCDRN Cc1ccc(C(=O)N[C@H](C)CC(C)(C)O)c(O)c1O ZINC000297114757 200088321 /nfs/dbraw/zinc/08/83/21/200088321.db2.gz GNMGLEOIERYSBJ-SECBINFHSA-N 0 0 267.325 1.686 20 10 CDCDRN CC[C@H](C)OCC(=O)NCc1cccc(OC)c1O ZINC000134180185 361528615 /nfs/dbraw/zinc/52/86/15/361528615.db2.gz GUGRKRSKZCCHLA-JTQLQIEISA-N 0 0 267.325 1.832 20 10 CDCDRN COCCOCCN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000267436461 363822861 /nfs/dbraw/zinc/82/28/61/363822861.db2.gz GHYFDKWUPBFVQS-UHFFFAOYSA-N 0 0 299.367 1.812 20 10 CDCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCOC1 ZINC000269139181 364144151 /nfs/dbraw/zinc/14/41/51/364144151.db2.gz ZDCHRGRDSXOTQD-JTQLQIEISA-N 0 0 251.282 1.141 20 10 CDCDRN CCN(CCN1C(=O)CCC1=O)c1ccc(OC)cc1 ZINC000269575543 364250070 /nfs/dbraw/zinc/25/00/70/364250070.db2.gz CGMPETQTVHDAMF-UHFFFAOYSA-N 0 0 276.336 1.671 20 10 CDCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnns1 ZINC000273174093 365476022 /nfs/dbraw/zinc/47/60/22/365476022.db2.gz MUULWNAGQAEBPB-SSDOTTSWSA-N 0 0 279.321 1.310 20 10 CDCDRN Cc1cc(N[C@@H](C)Cc2ccc(O)c(O)c2)n2ncnc2n1 ZINC000273159393 365474279 /nfs/dbraw/zinc/47/42/79/365474279.db2.gz ZDIBCYOHKKSHML-VIFPVBQESA-N 0 0 299.334 1.887 20 10 CDCDRN C[S@](=O)C1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000282298064 367818860 /nfs/dbraw/zinc/81/88/60/367818860.db2.gz JMYWOCRHVLSBGQ-IBGZPJMESA-N 0 0 284.337 1.301 20 10 CDCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)CC(N)=O ZINC000282874700 368082022 /nfs/dbraw/zinc/08/20/22/368082022.db2.gz AWXFMNRWKKIHCC-LBPRGKRZSA-N 0 0 291.395 1.613 20 10 CDCDRN CC(C)O[C@@]1(C)C[C@H]1NC(=O)c1cccc(O)c1O ZINC000529970877 368099462 /nfs/dbraw/zinc/09/94/62/368099462.db2.gz VURMZYUGZGJXKF-RISCZKNCSA-N 0 0 265.309 1.784 20 10 CDCDRN CC[C@@H]([NH2+]CC(=O)NCC(F)F)c1ccc(F)cc1[O-] ZINC000286375242 368806179 /nfs/dbraw/zinc/80/61/79/368806179.db2.gz AJTDCVYMMHDXNL-SNVBAGLBSA-N 0 0 290.285 1.953 20 10 CDCDRN CC[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H](C)[S@@]1=O ZINC000287211154 369123287 /nfs/dbraw/zinc/12/32/87/369123287.db2.gz IITIWSCIFICKPH-ZLMDCXFVSA-N 0 0 297.376 1.469 20 10 CDCDRN Cc1cc(CNC(=O)N(C)Cc2ccccc2O)n(C)n1 ZINC000287784984 369308406 /nfs/dbraw/zinc/30/84/06/369308406.db2.gz KKRDFYUWZBQWKV-UHFFFAOYSA-N 0 0 288.351 1.776 20 10 CDCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@](C)(O)C1CC1 ZINC000287990073 369375177 /nfs/dbraw/zinc/37/51/77/369375177.db2.gz VFKPFADSAUEZGM-VFZGTOFNSA-N 0 0 279.336 1.306 20 10 CDCDRN O=C(CC[C@H]1CCCO1)NCc1ccc(O)c(O)c1 ZINC000158881858 261173194 /nfs/dbraw/zinc/17/31/94/261173194.db2.gz ILRVSPSAOPKCPK-LLVKDONJSA-N 0 0 265.309 1.673 20 10 CDCDRN CC(=O)C(=O)CN1C(=O)NC2(CCCCCCC2)C1=O ZINC000288999627 369509336 /nfs/dbraw/zinc/50/93/36/369509336.db2.gz WJHQTTRCHLAWGZ-UHFFFAOYSA-N 0 0 280.324 1.179 20 10 CDCDRN COC(=O)c1cnc(S[C@@H](C)C(=O)NC2CC2)s1 ZINC000295151036 371136942 /nfs/dbraw/zinc/13/69/42/371136942.db2.gz FHIGGOYHHUZKTP-LURJTMIESA-N 0 0 286.378 1.689 20 10 CDCDRN C[C@@H](OC[C@@H]1CCCCO1)C(=O)NCc1ccc(N)cc1 ZINC000297145782 371962606 /nfs/dbraw/zinc/96/26/06/371962606.db2.gz ILXJWJJDOZIPKP-DOMZBBRYSA-N 0 0 292.379 1.859 20 10 CDCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@H](O)CC2)cc1 ZINC000296556583 378737239 /nfs/dbraw/zinc/73/72/39/378737239.db2.gz KHOSMFLBNUVUBY-OAHLLOKOSA-N 0 0 291.395 1.809 20 10 CDCDRN CC(C)OCCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183437983 261975317 /nfs/dbraw/zinc/97/53/17/261975317.db2.gz PUSLHQQBEIQCCH-LLVKDONJSA-N 0 0 281.352 1.960 20 10 CDCDRN COC(=O)[C@@H]1CN(C(=O)C=Cc2c[nH]cn2)c2ccccc21 ZINC000493188673 253393846 /nfs/dbraw/zinc/39/38/46/253393846.db2.gz MFOSZULPTIELTC-KTRBRXNASA-N 0 0 297.314 1.726 20 10 CDCDRN CC[C@H](CSC)NC(=O)c1cccc(O)c1O ZINC000126555532 390921086 /nfs/dbraw/zinc/92/10/86/390921086.db2.gz HTGXMYJMVJOZFN-MRVPVSSYSA-N 0 0 255.339 1.969 20 10 CDCDRN COc1cccc(CNC(=O)NC[C@@H]2CCCOC2)c1O ZINC000174191162 391117887 /nfs/dbraw/zinc/11/78/87/391117887.db2.gz RWSHHILFPHKPIK-NSHDSACASA-N 0 0 294.351 1.627 20 10 CDCDRN Cc1ccc(C(=O)NCCCn2cccn2)c(O)c1O ZINC000177670792 391173989 /nfs/dbraw/zinc/17/39/89/391173989.db2.gz DWIWCCMHPAVOKL-UHFFFAOYSA-N 0 0 275.308 1.423 20 10 CDCDRN CC(C)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000179389260 391203872 /nfs/dbraw/zinc/20/38/72/391203872.db2.gz AUODIKFNZGXGAT-UHFFFAOYSA-N 0 0 286.353 1.244 20 10 CDCDRN C[C@@H]1CS(=O)(=O)CCN1Cc1ccccc1O ZINC000179577162 391212894 /nfs/dbraw/zinc/21/28/94/391212894.db2.gz QUQRVHHCUJVGJZ-SNVBAGLBSA-N 0 0 255.339 1.011 20 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CDCDRN Cc1ccc(C(=O)N(C)[C@@H]2CC(C)(C)OC2=O)c(O)c1O ZINC000817073498 811659392 /nfs/dbraw/zinc/65/93/92/811659392.db2.gz JMFVZYNZFBECNR-SNVBAGLBSA-N 0 0 293.319 1.572 20 10 CDCDRN CC(=O)C(=O)COC(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000808491087 811685172 /nfs/dbraw/zinc/68/51/72/811685172.db2.gz MBFNUJZNXMVHAD-JTQLQIEISA-N 0 0 296.706 1.592 20 10 CDCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H](O)CCSC)c1 ZINC000827304261 811769009 /nfs/dbraw/zinc/76/90/09/811769009.db2.gz VUBWBFIIBPAQGE-TVQRCGJNSA-N 0 0 299.392 1.692 20 10 CDCDRN CCOc1cccc(CNC(C)(C)C(=O)OC)c1O ZINC000037085519 811791857 /nfs/dbraw/zinc/79/18/57/811791857.db2.gz VILSFUMCXMOCJF-UHFFFAOYSA-N 0 0 267.325 1.832 20 10 CDCDRN COc1cc(O)c(CN2CC(C)(OC)C2)cc1OC ZINC000839101683 811819807 /nfs/dbraw/zinc/81/98/07/811819807.db2.gz ONYYYMQMRBFAFV-UHFFFAOYSA-N 0 0 267.325 1.630 20 10 CDCDRN COc1ccc(N(C)CCN(C)C(=O)CCCCO)cc1 ZINC000869142613 811822152 /nfs/dbraw/zinc/82/21/52/811822152.db2.gz IGARLKOTKCIRJU-UHFFFAOYSA-N 0 0 294.395 1.752 20 10 CDCDRN 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[O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886253756 811866111 /nfs/dbraw/zinc/86/61/11/811866111.db2.gz IGFCQSMMEYUTRH-DFYJTEQTSA-N 0 0 275.707 1.159 20 10 CDCDRN CO[C@@H](C)CS(=O)(=O)Nc1ccc(O)cc1SC ZINC000800842570 811883013 /nfs/dbraw/zinc/88/30/13/811883013.db2.gz YZFUBLIUOOQLKT-QMMMGPOBSA-N 0 0 291.394 1.891 20 10 CDCDRN C[C@H](O)CN(C(=O)NCCc1ccc(N)cc1)C1CC1 ZINC000848603564 811883797 /nfs/dbraw/zinc/88/37/97/811883797.db2.gz QXGIWLCDHXKNMV-NSHDSACASA-N 0 0 277.368 1.366 20 10 CDCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCCOC1 ZINC000808095458 811894819 /nfs/dbraw/zinc/89/48/19/811894819.db2.gz GJDQTQYUBJFLSE-LLVKDONJSA-N 0 0 284.352 1.921 20 10 CDCDRN CO[C@@H](CNC(=O)c1cccc(O)c1O)C(C)(C)C ZINC000185777123 811911959 /nfs/dbraw/zinc/91/19/59/811911959.db2.gz HUMZHDHNRXMZLA-NSHDSACASA-N 0 0 267.325 1.889 20 10 CDCDRN C[C@H](C(=O)N(C)Cc1ccccc1O)[C@@H]1CCC(=O)N1 ZINC000860049320 811918967 /nfs/dbraw/zinc/91/89/67/811918967.db2.gz UKQLIBCKHKDGIJ-JQWIXIFHSA-N 0 0 276.336 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284.275 1.664 20 10 CDCDRN COc1nnccc1NC(=O)N(C)Cc1ccccc1O ZINC000808902790 1162926177 /nfs/dbraw/zinc/92/61/77/1162926177.db2.gz PIPMVDFLKCGWAS-UHFFFAOYSA-N 0 0 288.307 1.855 20 10 CDCDRN COC1CC(C(=O)N2CCCc3cc(O)c(O)cc3C2)C1 ZINC001142564670 1160732992 /nfs/dbraw/zinc/73/29/92/1160732992.db2.gz LSYUSTZIARCWDY-UHFFFAOYSA-N 0 0 291.347 1.798 20 10 CDCDRN CCN(CC)c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC001605434885 1163563034 /nfs/dbraw/zinc/56/30/34/1163563034.db2.gz HRFCWXXMEUOHFZ-HUUCEWRRSA-N 0 0 292.379 1.553 20 10 CDCDRN COCCCNC(=S)N[C@H](C)c1ccccc1O ZINC001245635318 1164157589 /nfs/dbraw/zinc/15/75/89/1164157589.db2.gz QNYRJMWTYFQADI-SNVBAGLBSA-N 0 0 268.382 1.954 20 10 CDCDRN Cc1nnc(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)n1C ZINC001608016765 1164377913 /nfs/dbraw/zinc/37/79/13/1164377913.db2.gz WQXXWQMNRLBSKB-QMMMGPOBSA-N 0 0 290.323 1.378 20 10 CDCDRN CCNC(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001202544747 1165850827 /nfs/dbraw/zinc/85/08/27/1165850827.db2.gz 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/nfs/dbraw/zinc/75/06/29/823750629.db2.gz QHZCNKVQEAQMID-UHFFFAOYSA-N 0 0 292.788 1.027 20 10 CDCDRN CN1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C1=O ZINC000704314438 823803128 /nfs/dbraw/zinc/80/31/28/823803128.db2.gz CWZCSHBNQXDKJG-LLVKDONJSA-N 0 0 268.744 1.756 20 10 CDCDRN CC[C@H](NC(C)=O)C(=O)N[C@H](C)c1ccccc1O ZINC000827955657 823803223 /nfs/dbraw/zinc/80/32/23/823803223.db2.gz BXOMPMXTXFARAW-SKDRFNHKSA-N 0 0 264.325 1.484 20 10 CDCDRN COc1ccc(CNC(=O)c2ccc(=O)[nH]c2)c(O)c1 ZINC000794380930 823859795 /nfs/dbraw/zinc/85/97/95/823859795.db2.gz FYWSMTICDYXERR-UHFFFAOYSA-N 0 0 274.276 1.431 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)/C=C1\SCC(=O)N1C ZINC000820880206 823863060 /nfs/dbraw/zinc/86/30/60/823863060.db2.gz YIDGHIXDGGTWDU-AUWJEWJLSA-N 0 0 292.360 1.397 20 10 CDCDRN CS[C@@H](CO)[C@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708466698 823920013 /nfs/dbraw/zinc/92/00/13/823920013.db2.gz ULWADCKMFUTUNN-CPCISQLKSA-N 0 0 277.336 1.872 20 10 CDCDRN Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)o1 ZINC000193987886 823964453 /nfs/dbraw/zinc/96/44/53/823964453.db2.gz YWRUMQYQCLASHE-UHFFFAOYSA-N 0 0 261.277 1.972 20 10 CDCDRN COc1cc(C)ccc1C=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000834398932 824047826 /nfs/dbraw/zinc/04/78/26/824047826.db2.gz UQPFZRKCBJGGBH-UHFFFAOYSA-N 0 0 288.303 1.437 20 10 CDCDRN CCO[C@H]1C[C@@H](NC(=O)NCCc2ccc(N)cc2)C1 ZINC000841916112 824089143 /nfs/dbraw/zinc/08/91/43/824089143.db2.gz XWJWPNADXLJFGM-OKILXGFUSA-N 0 0 277.368 1.678 20 10 CDCDRN C[C@H]1CCCN(C(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC000842237120 824107115 /nfs/dbraw/zinc/10/71/15/824107115.db2.gz BCHMOIXTVYFSFH-LBPRGKRZSA-N 0 0 289.379 1.186 20 10 CDCDRN O=C(CCc1cncs1)NCc1ccc(O)c(O)c1 ZINC000815836001 824125199 /nfs/dbraw/zinc/12/51/99/824125199.db2.gz MRTYIWVPPYIXKK-UHFFFAOYSA-N 0 0 278.333 1.803 20 10 CDCDRN Cc1n[nH]cc1CN(C)C(=O)C1=CC(=O)CS1 ZINC000824057524 824127133 /nfs/dbraw/zinc/12/71/33/824127133.db2.gz SVQJGGDYGAJSBK-UHFFFAOYSA-N 0 0 251.311 1.757 20 10 CDCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCC[C@H]1O ZINC000838478271 824146982 /nfs/dbraw/zinc/14/69/82/824146982.db2.gz JLNRAZBTXJAQRK-HUUCEWRRSA-N 0 0 291.395 1.774 20 10 CDCDRN C[C@@H]([NH2+]C[C@@H]1CNCCO1)c1ccc(F)cc1[O-] ZINC000817984397 824151008 /nfs/dbraw/zinc/15/10/08/824151008.db2.gz XOBDFIJSBSNGAV-KOLCDFICSA-N 0 0 254.305 1.170 20 10 CDCDRN COCC(COC)NC(=O)NCc1cc(C)ccc1O ZINC000858516357 824166949 /nfs/dbraw/zinc/16/69/49/824166949.db2.gz DAMCBVZVMSNRHD-UHFFFAOYSA-N 0 0 282.340 1.161 20 10 CDCDRN O=S1(=O)CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000132272354 824203840 /nfs/dbraw/zinc/20/38/40/824203840.db2.gz KNSACBVPZDNZMF-UHFFFAOYSA-N 0 0 275.757 1.276 20 10 CDCDRN COC(=O)NC1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000856449221 824214024 /nfs/dbraw/zinc/21/40/24/824214024.db2.gz HKZNNNAIGPWOAV-UHFFFAOYSA-N 0 0 294.307 1.058 20 10 CDCDRN CO[C@@H]1COCC[C@H]1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883132989 824342571 /nfs/dbraw/zinc/34/25/71/824342571.db2.gz LJXOZCXRWXTNLH-TVQRCGJNSA-N 0 0 287.306 1.812 20 10 CDCDRN COc1cc2c(c(OC)c1)N(CC[S@@](C)=O)CCC2 ZINC000839656816 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C[C@H](NCc1cnon1)c1ccc(N2CCOCC2)cc1 ZINC000851899149 829846412 /nfs/dbraw/zinc/84/64/12/829846412.db2.gz YPOUWZVIASOMNZ-LBPRGKRZSA-N 0 0 288.351 1.757 20 10 CDCDRN CC[C@](C)(O)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000934940101 829846820 /nfs/dbraw/zinc/84/68/20/829846820.db2.gz HYCXHMSHSWLMSY-XPTSAGLGSA-N 0 0 267.325 1.739 20 10 CDCDRN CC(=O)c1cc(F)cc(Cn2cc(CCCO)nn2)c1O ZINC000880994722 829855012 /nfs/dbraw/zinc/85/50/12/829855012.db2.gz DNMKDQBSPYQJIU-UHFFFAOYSA-N 0 0 293.298 1.299 20 10 CDCDRN COc1ccc(CNC(=O)Cn2ccc(C)n2)c(O)c1 ZINC000831033458 829863320 /nfs/dbraw/zinc/86/33/20/829863320.db2.gz VODIKXUMRRXRAD-UHFFFAOYSA-N 0 0 275.308 1.222 20 10 CDCDRN CO[C@@H](C)CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000195388857 829892958 /nfs/dbraw/zinc/89/29/58/829892958.db2.gz AQCZZAHPLCXJBB-JTQLQIEISA-N 0 0 268.332 1.933 20 10 CDCDRN CCOC[C@@H](C(=O)OC)N(C)C(=O)C1=CC(=O)CS1 ZINC000830086657 829991330 /nfs/dbraw/zinc/99/13/30/829991330.db2.gz VOXDAKLTHSSBTB-VIFPVBQESA-N 0 0 287.337 1.104 20 10 CDCDRN COCCONC(=O)NCCCSc1nccs1 ZINC000789090894 830005269 /nfs/dbraw/zinc/00/52/69/830005269.db2.gz OGYWBVBAIUIXFM-UHFFFAOYSA-N 0 0 291.398 1.503 20 10 CDCDRN NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000883016008 830030847 /nfs/dbraw/zinc/03/08/47/830030847.db2.gz LADWRZFLKBWPBQ-GZMMTYOYSA-N 0 0 284.306 1.804 20 10 CDCDRN COc1ccc(CNc2nnc(C)c(C)n2)c(O)c1 ZINC000795289012 830055900 /nfs/dbraw/zinc/05/59/00/830055900.db2.gz FOSARDJBCVIWCB-UHFFFAOYSA-N 0 0 260.297 1.815 20 10 CDCDRN CCN1CC(=O)N(CCCSc2nccs2)C1=O ZINC000777650886 830063249 /nfs/dbraw/zinc/06/32/49/830063249.db2.gz OVLQQAQMVLABEM-UHFFFAOYSA-N 0 0 285.394 1.909 20 10 CDCDRN COc1ccc(CNCc2nnn(C(C)(C)C)n2)c(O)c1 ZINC000848564456 830071330 /nfs/dbraw/zinc/07/13/30/830071330.db2.gz GAYODURHTSTSFZ-UHFFFAOYSA-N 0 0 291.355 1.432 20 10 CDCDRN COc1ccc(N(C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000844353199 830093825 /nfs/dbraw/zinc/09/38/25/830093825.db2.gz QSXYKPLLHJELAZ-UHFFFAOYSA-N 0 0 276.296 1.936 20 10 CDCDRN NC(=O)c1nccnc1NCc1ccc(N2CCCC2)cc1 ZINC000881804825 830106567 /nfs/dbraw/zinc/10/65/67/830106567.db2.gz UCQPMSPGMQATMH-UHFFFAOYSA-N 0 0 297.362 1.788 20 10 CDCDRN COCc1cc(C(=O)NCc2ccc(OC)cc2O)no1 ZINC000794390754 830194258 /nfs/dbraw/zinc/19/42/58/830194258.db2.gz QANHFZNCOFSCRF-UHFFFAOYSA-N 0 0 292.291 1.465 20 10 CDCDRN CO[C@H](C)Cn1cc(COc2ccc(N)cc2)nn1 ZINC000881318968 830241854 /nfs/dbraw/zinc/24/18/54/830241854.db2.gz PNLPNWSVBMXWJN-SNVBAGLBSA-N 0 0 262.313 1.474 20 10 CDCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)NC(C)=O ZINC000136978673 830300799 /nfs/dbraw/zinc/30/07/99/830300799.db2.gz XYCRUEPCPKOFLF-LLVKDONJSA-N 0 0 278.352 1.655 20 10 CDCDRN Cc1ccc(C(=O)NCCO[C@@H]2CCCCO2)c(O)c1O ZINC000854551082 830327034 /nfs/dbraw/zinc/32/70/34/830327034.db2.gz CDIYHKAHDCBWFK-GFCCVEGCSA-N 0 0 295.335 1.679 20 10 CDCDRN CCn1cc(CC(=O)N(C)Cc2ccccc2O)cn1 ZINC000780900635 830386892 /nfs/dbraw/zinc/38/68/92/830386892.db2.gz FKJCBVJLHCWAEE-UHFFFAOYSA-N 0 0 273.336 1.810 20 10 CDCDRN CSCC[C@H](O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000825980847 830417850 /nfs/dbraw/zinc/41/78/50/830417850.db2.gz LTZJTKJDDLHKFE-AWEZNQCLSA-N 0 0 296.436 1.791 20 10 CDCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCCC23OCCO3)c1 ZINC000862755097 830510770 /nfs/dbraw/zinc/51/07/70/830510770.db2.gz CPJMGDZRJNDBGU-CYBMUJFWSA-N 0 0 291.347 1.860 20 10 CDCDRN CCc1cnc(CNC(=O)Cc2ccc(N)cc2)o1 ZINC000231632448 830521161 /nfs/dbraw/zinc/52/11/61/830521161.db2.gz LTADGKLAGSUDOC-UHFFFAOYSA-N 0 0 259.309 1.678 20 10 CDCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCOC(=O)N2)cc1 ZINC000858199128 830553411 /nfs/dbraw/zinc/55/34/11/830553411.db2.gz BKYXDVRDLXOPSB-ZDUSSCGKSA-N 0 0 291.351 1.210 20 10 CDCDRN CN(C[C@H](O)COC1CCOCC1)c1ccc(N)cc1 ZINC000923400785 830567346 /nfs/dbraw/zinc/56/73/46/830567346.db2.gz OHWPVGJTDCFJPK-AWEZNQCLSA-N 0 0 280.368 1.262 20 10 CDCDRN CO[C@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C[C@H]1C ZINC000836839078 830594187 /nfs/dbraw/zinc/59/41/87/830594187.db2.gz XTYYPBMFQIUHRY-PWSUYJOCSA-N 0 0 279.336 1.903 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)NCc1cncn1C ZINC000292342918 830611072 /nfs/dbraw/zinc/61/10/72/830611072.db2.gz NSUQJRSAQOACLM-UHFFFAOYSA-N 0 0 274.324 1.467 20 10 CDCDRN C[C@@H](NC(=O)N[C@H]1C[C@@H](CO)C1)c1ccc(N(C)C)cc1 ZINC000875507418 830638907 /nfs/dbraw/zinc/63/89/07/830638907.db2.gz DUEPRANHYCLSTM-BZPMIXESSA-N 0 0 291.395 1.884 20 10 CDCDRN COC(=O)N1CCC(C(=O)NCc2ccccc2O)CC1 ZINC000830526639 830655968 /nfs/dbraw/zinc/65/59/68/830655968.db2.gz PNCHJYNRJYRBIE-UHFFFAOYSA-N 0 0 292.335 1.487 20 10 CDCDRN C[C@H]1C[C@@H](C(=O)NCc2ccc(N(C)C)cc2)CO1 ZINC000784029712 830740666 /nfs/dbraw/zinc/74/06/66/830740666.db2.gz FRUDOQGIULWECY-WCQYABFASA-N 0 0 262.353 1.794 20 10 CDCDRN C[C@H]([NH2+]C[C@@H]1CCCNC1=O)c1c([O-])cccc1F ZINC000886625773 833705126 /nfs/dbraw/zinc/70/51/26/833705126.db2.gz ZSRMNIPJKYHRPY-UWVGGRQHSA-N 0 0 266.316 1.708 20 10 CDCDRN COC(=O)[C@@H]1CN(Cc2ccc(C)cc2O)CCO1 ZINC000876688769 832078734 /nfs/dbraw/zinc/07/87/34/832078734.db2.gz NQCUMGJPDSFAPI-ZDUSSCGKSA-N 0 0 265.309 1.074 20 10 CDCDRN O=S1(=O)CCCN(Cc2c(O)cccc2Cl)CC1 ZINC000219781177 832225942 /nfs/dbraw/zinc/22/59/42/832225942.db2.gz XYLCUBXSZUTRHH-UHFFFAOYSA-N 0 0 289.784 1.666 20 10 CDCDRN O=C(C1=CC(=O)CS1)N1CCC[C@]12CCOC2=O ZINC000779462478 832243709 /nfs/dbraw/zinc/24/37/09/832243709.db2.gz OTNLACBTACBHPF-GFCCVEGCSA-N 0 0 267.306 1.375 20 10 CDCDRN CN1C(=O)C(=C/C=C\c2ccc(F)cc2)C(=O)N(C)C1=O ZINC000255304709 832293493 /nfs/dbraw/zinc/29/34/93/832293493.db2.gz UEQZSJHNSGJPTL-ARJAWSKDSA-N 0 0 288.278 1.816 20 10 CDCDRN COc1ccc(CNC(=O)NC[C@H](C)SC)c(O)c1 ZINC000793013081 832296784 /nfs/dbraw/zinc/29/67/84/832296784.db2.gz OJPMOJGMYYTGNY-VIFPVBQESA-N 0 0 284.381 1.952 20 10 CDCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1CCSC1 ZINC000778916358 832303589 /nfs/dbraw/zinc/30/35/89/832303589.db2.gz FPGIQFLPXQBUQW-VIFPVBQESA-N 0 0 253.323 1.467 20 10 CDCDRN COc1cccc([C@H](C)N[C@H](C)c2ncn(C)n2)c1O ZINC000846166210 832309557 /nfs/dbraw/zinc/30/95/57/832309557.db2.gz UIVJFVLBOBLSPN-VHSXEESVSA-N 0 0 276.340 1.941 20 10 CDCDRN COCCNC(=O)NCc1cc(Cl)ccc1O ZINC000844282156 832362176 /nfs/dbraw/zinc/36/21/76/832362176.db2.gz SWJBKBNCLPINMO-UHFFFAOYSA-N 0 0 258.705 1.491 20 10 CDCDRN C[C@@H](NC(=O)[C@]1(O)CCOC1)c1ccc(N(C)C)cc1 ZINC000840425114 832392869 /nfs/dbraw/zinc/39/28/69/832392869.db2.gz ILYZMFYYHNBXDE-ABAIWWIYSA-N 0 0 278.352 1.081 20 10 CDCDRN O=C(NCc1ccc(O)c(O)c1)C(F)(F)C1(O)CCC1 ZINC000182516191 832406752 /nfs/dbraw/zinc/40/67/52/832406752.db2.gz BPUACUJQDJEGEH-UHFFFAOYSA-N 0 0 287.262 1.264 20 10 CDCDRN Nc1ccc(CCNC(=O)N2CCSCC2)cc1 ZINC000841961724 833845098 /nfs/dbraw/zinc/84/50/98/833845098.db2.gz GTSOHSQOQPWCFM-UHFFFAOYSA-N 0 0 265.382 1.570 20 10 CDCDRN CC[C@@H]([NH3+])C(=O)NCc1ccc2c(c1)CCCN2C ZINC000130416377 833845219 /nfs/dbraw/zinc/84/52/19/833845219.db2.gz SSTJYTLHXFVYRX-CYBMUJFWSA-N 0 0 261.369 1.423 20 10 CDCDRN C[C@]1(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CCC(=O)N1 ZINC000835060778 833855318 /nfs/dbraw/zinc/85/53/18/833855318.db2.gz NHOMCQABZIYRDR-CYBMUJFWSA-N 0 0 286.734 1.943 20 10 CDCDRN COC(=O)[C@H](C)CN(C)C(=O)Cc1ccc(N)cc1 ZINC000037823458 833855794 /nfs/dbraw/zinc/85/57/94/833855794.db2.gz AGQJBKBMZQJESZ-SNVBAGLBSA-N 0 0 264.325 1.079 20 10 CDCDRN O=C(N[C@H](CO)c1cccc(F)c1)c1cccc(O)c1O ZINC000790916973 833859876 /nfs/dbraw/zinc/85/98/76/833859876.db2.gz OWAXMBZPDZDDGL-GFCCVEGCSA-N 0 0 291.278 1.700 20 10 CDCDRN O=C(NCc1ccc(O)c(O)c1)c1ccc2n[nH]cc2c1 ZINC000778923387 833862477 /nfs/dbraw/zinc/86/24/77/833862477.db2.gz PSLMTZWFGBYOHS-UHFFFAOYSA-N 0 0 283.287 1.904 20 10 CDCDRN Cc1cc(C(=O)N[C@@H]2CNC(=O)C2)c(C)n1-c1ccccn1 ZINC000779367169 832578010 /nfs/dbraw/zinc/57/80/10/832578010.db2.gz KSXHKBPYUXBXFT-LBPRGKRZSA-N 0 0 298.346 1.107 20 10 CDCDRN Cc1nccc(NC(=O)NCc2ccccc2O)n1 ZINC000776496564 833886993 /nfs/dbraw/zinc/88/69/93/833886993.db2.gz DJBOPAZIGYMGMV-UHFFFAOYSA-N 0 0 258.281 1.812 20 10 CDCDRN C[C@H]1CC[C@H](CNC(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000841121525 833893777 /nfs/dbraw/zinc/89/37/77/833893777.db2.gz VSVKLHIBMIXJLJ-QWRGUYRKSA-N 0 0 275.352 1.760 20 10 CDCDRN CC(=O)C(=O)COC(=O)c1ccc2c(c1)CCCC2 ZINC000808491850 833898442 /nfs/dbraw/zinc/89/84/42/833898442.db2.gz TYQMYQQHVXNKHB-UHFFFAOYSA-N 0 0 260.289 1.880 20 10 CDCDRN C=CC(=O)NCCC(=O)N[C@H](C)c1ccccc1O ZINC000827940339 832641614 /nfs/dbraw/zinc/64/16/14/832641614.db2.gz AZXFCGLTPBXOIJ-SNVBAGLBSA-N 0 0 262.309 1.262 20 10 CDCDRN Cc1cn(C)nc1C(=O)N[C@H](C)c1ccccc1O ZINC000827952649 832642799 /nfs/dbraw/zinc/64/27/99/832642799.db2.gz ZTJQKDOCZMJAFC-SNVBAGLBSA-N 0 0 259.309 1.925 20 10 CDCDRN Cc1nn(CN(C)Cc2ccc(N(C)C)cc2)c(=O)o1 ZINC000853488983 832664769 /nfs/dbraw/zinc/66/47/69/832664769.db2.gz XGELOWUAYCJVSB-UHFFFAOYSA-N 0 0 276.340 1.300 20 10 CDCDRN Cc1ccc(C(=O)NCCc2cnccn2)c(O)c1O ZINC000781013000 832698721 /nfs/dbraw/zinc/69/87/21/832698721.db2.gz KBQGKBHEGLXBNK-UHFFFAOYSA-N 0 0 273.292 1.169 20 10 CDCDRN Cc1ncc(S(=O)(=O)N[C@@H](C)c2ccccc2O)n1C ZINC000867836579 832718065 /nfs/dbraw/zinc/71/80/65/832718065.db2.gz YHDMZLVMSJIZPF-VIFPVBQESA-N 0 0 295.364 1.474 20 10 CDCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(F)cn1 ZINC000122477691 832724384 /nfs/dbraw/zinc/72/43/84/832724384.db2.gz WJKKOJUOQXQKSU-UHFFFAOYSA-N 0 0 291.282 1.996 20 10 CDCDRN CC[C@@H]1C(=O)N(CC)CCN1Cc1cccc(OC)c1O ZINC000779214606 833966132 /nfs/dbraw/zinc/96/61/32/833966132.db2.gz CCKBRKZJEVEJDQ-CYBMUJFWSA-N 0 0 292.379 1.844 20 10 CDCDRN COc1ccc(O)c(CNC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC000821064540 832785011 /nfs/dbraw/zinc/78/50/11/832785011.db2.gz CXOYGHUOVQKNIC-UHFFFAOYSA-N 0 0 294.395 1.995 20 10 CDCDRN C[C@H]([NH2+]C[C@]1(O)CCOC1)c1c([O-])cccc1F ZINC000886556977 832791321 /nfs/dbraw/zinc/79/13/21/832791321.db2.gz OFRSFNVNTMVQRI-TVQRCGJNSA-N 0 0 255.289 1.333 20 10 CDCDRN CC1=C(C(=O)Nc2ccc(N)cc2)[C@H](C)n2ncnc2N1C ZINC000818556364 832806986 /nfs/dbraw/zinc/80/69/86/832806986.db2.gz OLRWIPWRBHIPEE-JTQLQIEISA-N 0 0 298.350 1.784 20 10 CDCDRN COc1ccc(CNC(=O)[C@@H]2CC(C)=NO2)c(O)c1 ZINC000846949924 832843884 /nfs/dbraw/zinc/84/38/84/832843884.db2.gz KPULFEDBTALPJC-LBPRGKRZSA-N 0 0 264.281 1.182 20 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CN(Cc1cc(Cl)cc(F)c1[O-])[C@H]1CC[NH2+]C1 ZINC000843049751 697718221 /nfs/dbraw/zinc/71/82/21/697718221.db2.gz VKYRUTZDFYOBLT-JTQLQIEISA-N 0 0 258.724 1.978 20 10 CDCDRN COc1cccc(CNC(=O)c2c[nH]c(C#N)c2)c1O ZINC000181276423 697740210 /nfs/dbraw/zinc/74/02/10/697740210.db2.gz KITOOYXYUONFIA-UHFFFAOYSA-N 0 0 271.276 1.531 20 10 CDCDRN CC[C@@H]([NH3+])c1cn(Cc2cc(F)cc(C(C)=O)c2O)nn1 ZINC000880996053 697808636 /nfs/dbraw/zinc/80/86/36/697808636.db2.gz NBPCFUNOKAHMQH-GFCCVEGCSA-N 0 0 292.314 1.784 20 10 CDCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2nn(C)cc2C)c1 ZINC000839652015 697820374 /nfs/dbraw/zinc/82/03/74/697820374.db2.gz YCXHXLISQKGZJQ-SNVBAGLBSA-N 0 0 289.335 1.934 20 10 CDCDRN CO[C@@]1(C)C[C@H]1NC(=O)c1ccc(C)c(O)c1O ZINC000856268096 697889370 /nfs/dbraw/zinc/88/93/70/697889370.db2.gz KJZSJDUVYDRCPT-RNCFNFMXSA-N 0 0 251.282 1.313 20 10 CDCDRN CC(=O)c1cc(F)cc(CN2CC[C@H](C[NH3+])C2)c1O ZINC000050250416 697902758 /nfs/dbraw/zinc/90/27/58/697902758.db2.gz NQGYEHXLHVPXTN-SNVBAGLBSA-N 0 0 266.316 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CDCDRN C[C@H]1C[C@H](C(=O)NCCc2ccc(N)cc2)CCO1 ZINC000818545156 698759421 /nfs/dbraw/zinc/75/94/21/698759421.db2.gz MCPOOWUOZOTRST-WCQYABFASA-N 0 0 262.353 1.743 20 10 CDCDRN CC[C@](C)(O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000931147305 698783831 /nfs/dbraw/zinc/78/38/31/698783831.db2.gz XGTPGCAYLQFRBS-AWEZNQCLSA-N 0 0 268.332 1.669 20 10 CDCDRN O=C(C1=CC(=O)CS1)N1CCC2(CC1)COCCO2 ZINC000882789808 698793522 /nfs/dbraw/zinc/79/35/22/698793522.db2.gz GFIQCBNGMREOJW-UHFFFAOYSA-N 0 0 283.349 1.475 20 10 CDCDRN CCCN1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001031459083 698804311 /nfs/dbraw/zinc/80/43/11/698804311.db2.gz LCIRGOZCVFCEMC-UHFFFAOYSA-N 0 0 289.339 1.673 20 10 CDCDRN CC[C@@H]1C[C@H]1CNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841138295 698807555 /nfs/dbraw/zinc/80/75/55/698807555.db2.gz VPNUEPSBWQIKLL-ZJUUUORDSA-N 0 0 261.325 1.370 20 10 CDCDRN CSc1nnc(CNC(=O)C2=CC(=O)CS2)s1 ZINC000802609192 698810643 /nfs/dbraw/zinc/81/06/43/698810643.db2.gz RKAXWEJWXBZVKH-UHFFFAOYSA-N 0 0 287.391 1.957 20 10 CDCDRN CCc1cccc(CN2CCOC[C@H]2C(=O)OC)c1O ZINC000848883808 698825251 /nfs/dbraw/zinc/82/52/51/698825251.db2.gz CFIZOSBOONSTIV-ZDUSSCGKSA-N 0 0 279.336 1.328 20 10 CDCDRN O=C(CSc1nccs1)NC(=O)NCC(F)(F)F ZINC000048875301 698830277 /nfs/dbraw/zinc/83/02/77/698830277.db2.gz KQJADWJXHMVDEI-UHFFFAOYSA-N 0 0 299.299 1.623 20 10 CDCDRN C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1c([O-])cccc1F ZINC000886612254 698858298 /nfs/dbraw/zinc/85/82/98/698858298.db2.gz HDTDCXNTKBPTSY-SECBINFHSA-N 0 0 290.360 1.073 20 10 CDCDRN CCn1cc(CNC(=O)NCCc2ccc(N)cc2)cn1 ZINC000841903479 698859870 /nfs/dbraw/zinc/85/98/70/698859870.db2.gz TUYMVQKLGMDKGK-UHFFFAOYSA-N 0 0 287.367 1.527 20 10 CDCDRN CC[C@@H](O)CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000853411884 698871747 /nfs/dbraw/zinc/87/17/47/698871747.db2.gz OYSLBNHYRMOUMY-OAHLLOKOSA-N 0 0 291.395 1.857 20 10 CDCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000875694652 698876589 /nfs/dbraw/zinc/87/65/89/698876589.db2.gz RXZFOTINWMLMGP-BZPMIXESSA-N 0 0 276.336 1.820 20 10 CDCDRN 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CDCDRN O=C(NCCN1CCc2ccccc21)c1cccc(O)c1O ZINC000790550346 704989866 /nfs/dbraw/zinc/98/98/66/704989866.db2.gz AHSAELPVCUZUBL-UHFFFAOYSA-N 0 0 298.342 1.890 20 10 CDCDRN Cc1noc(C(=O)NCCCSc2nccs2)n1 ZINC000865935705 705013341 /nfs/dbraw/zinc/01/33/41/705013341.db2.gz VQDPIFBQKJVLOG-UHFFFAOYSA-N 0 0 284.366 1.747 20 10 CDCDRN C[C@H](Cc1cnn(C)c1)NC(=O)NCc1ccccc1O ZINC000836630653 705021880 /nfs/dbraw/zinc/02/18/80/705021880.db2.gz ZEJRVQYYUIENSS-LLVKDONJSA-N 0 0 288.351 1.556 20 10 CDCDRN Nc1ccc(OCc2cn(C3CCOCC3)nn2)cc1 ZINC000864624529 705022564 /nfs/dbraw/zinc/02/25/64/705022564.db2.gz SSFXQGNPTHFNHE-UHFFFAOYSA-N 0 0 274.324 1.791 20 10 CDCDRN C[C@H](CO)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776244773 705146389 /nfs/dbraw/zinc/14/63/89/705146389.db2.gz FTPJKURKWNDNNZ-GHMZBOCLSA-N 0 0 265.357 1.494 20 10 CDCDRN CC[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@H]1O ZINC000827487543 705198210 /nfs/dbraw/zinc/19/82/10/705198210.db2.gz WROHVYBBUOMEPZ-OIBJUYFYSA-N 0 0 269.272 1.080 20 10 CDCDRN Cn1cc([C@@H](CO)[NH2+]Cc2cc(F)cc(F)c2[O-])cn1 ZINC000883076443 705210937 /nfs/dbraw/zinc/21/09/37/705210937.db2.gz DDFNIHCMCADVMJ-GFCCVEGCSA-N 0 0 283.278 1.227 20 10 CDCDRN CN1CC(=O)N(CCSc2nccs2)C1=O ZINC000882108722 705274498 /nfs/dbraw/zinc/27/44/98/705274498.db2.gz DBTMOYKFFBRTJC-UHFFFAOYSA-N 0 0 257.340 1.129 20 10 CDCDRN COC(=O)[C@@](C)(NC(=O)Cc1ccc(N)cc1)C1CC1 ZINC000237102714 848056066 /nfs/dbraw/zinc/05/60/66/848056066.db2.gz NNWJSTDEXSMGLQ-HNNXBMFYSA-N 0 0 276.336 1.269 20 10 CDCDRN Cc1nonc1CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000845956555 848103545 /nfs/dbraw/zinc/10/35/45/848103545.db2.gz JGKXMQHHSFQZEP-JTQLQIEISA-N 0 0 288.351 1.864 20 10 CDCDRN C[C@@H](NCc1nnnn1C)c1ccc(N(C)C)cc1 ZINC000389312563 848110152 /nfs/dbraw/zinc/11/01/52/848110152.db2.gz VCKGVTYRAVSPNQ-SNVBAGLBSA-N 0 0 260.345 1.127 20 10 CDCDRN Cc1ccc(C(=O)N2CCC([C@H](C)CO)CC2)c(O)c1O ZINC000846471676 848163147 /nfs/dbraw/zinc/16/31/47/848163147.db2.gz QWXONSUJQCWNQI-LLVKDONJSA-N 0 0 293.363 1.887 20 10 CDCDRN 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CDCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCOC1 ZINC000049354602 849524970 /nfs/dbraw/zinc/52/49/70/849524970.db2.gz XSOMZBVLWQBAMI-AWEZNQCLSA-N 0 0 274.364 1.940 20 10 CDCDRN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2C(=O)C1=CC(=O)CS1 ZINC000807688555 849535661 /nfs/dbraw/zinc/53/56/61/849535661.db2.gz LOTMQKRJHQCQDL-LLHKWGMCSA-N 0 0 279.361 1.949 20 10 CDCDRN COC[C@H](O)CN1CCCc2cc(OC)cc(OC)c21 ZINC000839654831 849541373 /nfs/dbraw/zinc/54/13/73/849541373.db2.gz AWTBCZVEVWRHDT-GFCCVEGCSA-N 0 0 281.352 1.464 20 10 CDCDRN O=S(=O)(Nc1ccc(O)cc1Cl)N1CCOCC1 ZINC000085205188 849640325 /nfs/dbraw/zinc/64/03/25/849640325.db2.gz ZMGHRULCOLGIDQ-UHFFFAOYSA-N 0 0 292.744 1.035 20 10 CDCDRN CC(=O)N[C@@H](C(=O)NCc1cc(Cl)ccc1O)C(C)C ZINC000846478330 849662710 /nfs/dbraw/zinc/66/27/10/849662710.db2.gz BSWRGXTURPJACA-CYBMUJFWSA-N 0 0 298.770 1.823 20 10 CDCDRN C[C@H](NC(=O)N(C)C)c1ccc(N2CCOCC2)cc1 ZINC000140257483 849679755 /nfs/dbraw/zinc/67/97/55/849679755.db2.gz JTRHYTDVNNZPHU-LBPRGKRZSA-N 0 0 277.368 1.855 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250.342 1.868 20 10 CDCDRN NC(=O)[C@H]1CCCN1Cc1cc(Cl)ccc1O ZINC000160328658 705754950 /nfs/dbraw/zinc/75/49/50/705754950.db2.gz FVEOKJPEUQWMNE-SNVBAGLBSA-N 0 0 254.717 1.495 20 10 CDCDRN C[C@@H](NS(=O)(=O)C[C@H]1CCCOC1)c1ccccc1O ZINC000867834997 705765938 /nfs/dbraw/zinc/76/59/38/705765938.db2.gz YSTZJAVUVPTVCR-NEPJUHHUSA-N 0 0 299.392 1.799 20 10 CDCDRN O=C(NCc1ccc(O)c(O)c1)c1cn2ccccc2n1 ZINC000778919613 705766742 /nfs/dbraw/zinc/76/67/42/705766742.db2.gz HCNXIZVPXVLSPH-UHFFFAOYSA-N 0 0 283.287 1.676 20 10 CDCDRN COC[C@@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000794835404 705772669 /nfs/dbraw/zinc/77/26/69/705772669.db2.gz JSRQUXKSEQMLJJ-IONNQARKSA-N 0 0 261.268 1.328 20 10 CDCDRN CCn1cnc(C(=O)NCc2ccc(OC)cc2O)c1 ZINC000846951652 705779310 /nfs/dbraw/zinc/77/93/10/705779310.db2.gz ZKYXZJIOBLCOGR-UHFFFAOYSA-N 0 0 275.308 1.547 20 10 CDCDRN CCO[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000839147821 705816587 /nfs/dbraw/zinc/81/65/87/705816587.db2.gz RWPUJIKLURAYGP-PHIMTYICSA-N 0 0 296.323 1.966 20 10 CDCDRN COC(=O)[C@@H](CC(F)F)NCc1ccc(C)cc1O ZINC000877469107 705873993 /nfs/dbraw/zinc/87/39/93/705873993.db2.gz JRTZFEOIZTYRGT-SNVBAGLBSA-N 0 0 273.279 1.987 20 10 CDCDRN O=C(NCc1ccccc1O)c1cc2n(n1)CCCC2 ZINC000825664312 705894001 /nfs/dbraw/zinc/89/40/01/705894001.db2.gz COKZKCZMYAKUHJ-UHFFFAOYSA-N 0 0 271.320 1.855 20 10 CDCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCC[C@H]1CO ZINC000837087555 705895105 /nfs/dbraw/zinc/89/51/05/705895105.db2.gz FQNANKATESVQAE-RAUBUVQISA-N 0 0 277.320 1.388 20 10 CDCDRN Cc1cc(CC(=O)NCc2cc(C)ccc2O)no1 ZINC000862760984 705918730 /nfs/dbraw/zinc/91/87/30/705918730.db2.gz YWXBNHOTTDUBHC-UHFFFAOYSA-N 0 0 260.293 1.856 20 10 CDCDRN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCCSC1 ZINC000810629000 705955672 /nfs/dbraw/zinc/95/56/72/705955672.db2.gz YZZLTOHIJPFOET-LLVKDONJSA-N 0 0 281.377 1.900 20 10 CDCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](O)C1CC1 ZINC000827955459 706012808 /nfs/dbraw/zinc/01/28/08/706012808.db2.gz 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/nfs/dbraw/zinc/18/70/08/706187008.db2.gz VCCGWCUCPNKUOP-MNOVXSKESA-N 0 0 278.352 1.571 20 10 CDCDRN COC[C@@]1(C(=O)[O-])CCC[N@@H+]1Cc1cc(OC)ccc1O ZINC001606833862 1164009086 /nfs/dbraw/zinc/00/90/86/1164009086.db2.gz WGMDMCYRFJDWTE-OAHLLOKOSA-N 0 0 295.335 1.466 20 10 CDCDRN CCc1cccc(CNCc2nc(N(C)C)no2)c1O ZINC000848904026 709549431 /nfs/dbraw/zinc/54/94/31/709549431.db2.gz JBZPBGNCOYHVSI-UHFFFAOYSA-N 0 0 276.340 1.693 20 10 CDCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H](CO)CC1 ZINC000832927246 709690176 /nfs/dbraw/zinc/69/01/76/709690176.db2.gz SWARKBVEDPNPRP-VIFPVBQESA-N 0 0 255.339 1.688 20 10 CDCDRN CC(C)(C)OC1CN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000881447107 709732932 /nfs/dbraw/zinc/73/29/32/709732932.db2.gz UDOFNXOQOIBWSQ-UHFFFAOYSA-N 0 0 283.299 1.876 20 10 CDCDRN Cc1cnccc1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000786035623 709735522 /nfs/dbraw/zinc/73/55/22/709735522.db2.gz MSMYJYHZIRKPFD-UHFFFAOYSA-N 0 0 287.271 1.841 20 10 CDCDRN Cn1nccc1[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C(=O)[O-] ZINC000819165856 709743908 /nfs/dbraw/zinc/74/39/08/709743908.db2.gz FPNRBSGXGXVBPF-CQSZACIVSA-N 0 0 287.319 1.271 20 10 CDCDRN COc1ccc(CNC(=O)c2ccc(=O)n(C)c2)c(O)c1 ZINC000794377078 709793644 /nfs/dbraw/zinc/79/36/44/709793644.db2.gz LXAKPDDKUJDJMY-UHFFFAOYSA-N 0 0 288.303 1.030 20 10 CDCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(CCO)C1CC1 ZINC000304205717 709807200 /nfs/dbraw/zinc/80/72/00/709807200.db2.gz BQROABBYSATGKB-UHFFFAOYSA-N 0 0 291.395 1.727 20 10 CDCDRN COCc1nc(C(=O)N(C)Cc2ccccc2O)no1 ZINC000775374069 709826057 /nfs/dbraw/zinc/82/60/57/709826057.db2.gz VNDHJXTZYAVJHV-UHFFFAOYSA-N 0 0 277.280 1.194 20 10 CDCDRN Cn1cc(C=CC(=O)N2CCCc3n[nH]cc32)cn1 ZINC000790070990 709838425 /nfs/dbraw/zinc/83/84/25/709838425.db2.gz QBOUMUBZKUCSMW-PLNGDYQASA-N 0 0 257.297 1.136 20 10 CDCDRN CN(C)c1ccc(CNC(=O)Cc2cc[nH]n2)cc1F ZINC000121578245 709845947 /nfs/dbraw/zinc/84/59/47/709845947.db2.gz FUBNKVBBQGEMRK-UHFFFAOYSA-N 0 0 276.315 1.474 20 10 CDCDRN CNC(=O)CCCC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000780934781 709849625 /nfs/dbraw/zinc/84/96/25/709849625.db2.gz BFCQMCCUSZTKIE-JTQLQIEISA-N 0 0 294.351 1.494 20 10 CDCDRN O=C(COC(=O)[C@@H]1CCC(=O)C1)c1ccc(O)c(O)c1 ZINC000830915302 709857618 /nfs/dbraw/zinc/85/76/18/709857618.db2.gz CRFPQSXNJNAAPO-SECBINFHSA-N 0 0 278.260 1.193 20 10 CDCDRN CC[C@@H]1C[C@H]1NC(=O)NCc1ccc(OC)cc1O ZINC000798104879 709880148 /nfs/dbraw/zinc/88/01/48/709880148.db2.gz GNKRPWNCLIMXJQ-BXKDBHETSA-N 0 0 264.325 1.999 20 10 CDCDRN CC[C@@H](C(=O)NCc1cc(OC)ccc1O)[C@H](C)O ZINC000790070746 709895455 /nfs/dbraw/zinc/89/54/55/709895455.db2.gz FYTPXJJWPFKFSO-JOYOIKCWSA-N 0 0 267.325 1.424 20 10 CDCDRN CC(=O)C(=O)COC(=O)Cc1sc(C)nc1C ZINC000885692437 709898739 /nfs/dbraw/zinc/89/87/39/709898739.db2.gz WNFXVIMZPLEYPA-UHFFFAOYSA-N 0 0 255.295 1.004 20 10 CDCDRN Cc1cc(Cl)cc([C@H](C)NCc2nnn(C)n2)c1O ZINC000808716917 709949949 /nfs/dbraw/zinc/94/99/49/709949949.db2.gz ZILNKMUODUCTKF-QMMMGPOBSA-N 0 0 281.747 1.728 20 10 CDCDRN CNS(=O)(=O)CCC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886645239 709955828 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/nfs/dbraw/zinc/22/00/63/710220063.db2.gz MFTMXWKICFJANH-UHFFFAOYSA-N 0 0 275.308 1.996 20 10 CDCDRN COC/C=C/C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000867302046 710222162 /nfs/dbraw/zinc/22/21/62/710222162.db2.gz JCAHMVYJLCSUSZ-HMDXOVGESA-N 0 0 265.309 1.348 20 10 CDCDRN O=C(NCc1nc2ccccc2[nH]1)c1cccc(O)c1O ZINC000126646147 710225624 /nfs/dbraw/zinc/22/56/24/710225624.db2.gz WEYYDEUGGNKCOW-UHFFFAOYSA-N 0 0 283.287 1.904 20 10 CDCDRN C[C@@H]1CC[C@@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)O1 ZINC000837282169 710258015 /nfs/dbraw/zinc/25/80/15/710258015.db2.gz HANLXBMAHIUGEE-BABHQGDISA-N 0 0 277.320 1.795 20 10 CDCDRN C[C@@H](Cn1cccn1)NC(=O)c1c(F)ccc(O)c1O ZINC000789956013 710303627 /nfs/dbraw/zinc/30/36/27/710303627.db2.gz CMSRPYMHJXWGOO-QMMMGPOBSA-N 0 0 279.271 1.252 20 10 CDCDRN COc1cccc([C@H](C)NCc2cn(C)nn2)c1O ZINC000846161736 710341205 /nfs/dbraw/zinc/34/12/05/710341205.db2.gz CCEGUULYGMKUSD-VIFPVBQESA-N 0 0 262.313 1.380 20 10 CDCDRN COc1ccc(CNC(=[NH2+])NC2CCCC2)c(O)c1 ZINC000849025241 710346917 /nfs/dbraw/zinc/34/69/17/710346917.db2.gz VNQYBRIOOVBHLW-UHFFFAOYSA-N 0 0 263.341 1.957 20 10 CDCDRN COc1ccc(CNC(=O)[C@H](C)SC)c(O)c1 ZINC000794381898 710365454 /nfs/dbraw/zinc/36/54/54/710365454.db2.gz RIBVIJBFUICBBB-QMMMGPOBSA-N 0 0 255.339 1.769 20 10 CDCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](CO)CCF)c1 ZINC000846210375 710392821 /nfs/dbraw/zinc/39/28/21/710392821.db2.gz ZIWKYPWKFGIASL-ONGXEEELSA-N 0 0 285.315 1.550 20 10 CDCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2CC[C@@H]2C(N)=O)cc1 ZINC000816822571 710449125 /nfs/dbraw/zinc/44/91/25/710449125.db2.gz PICJPMJEFKXRPV-KBPBESRZSA-N 0 0 289.379 1.223 20 10 CDCDRN COc1cccc(C[NH2+]Cc2cnc3n2CCC3)c1O ZINC000719853538 710477796 /nfs/dbraw/zinc/47/77/96/710477796.db2.gz VKPSMXNDTAQBQN-UHFFFAOYSA-N 0 0 273.336 1.833 20 10 CDCDRN CN(C)c1ccc(CNC(=O)C2=CCOCC2)cc1F ZINC000187983899 710481302 /nfs/dbraw/zinc/48/13/02/710481302.db2.gz ANXBOVYNJZAFAV-UHFFFAOYSA-N 0 0 278.327 1.855 20 10 CDCDRN CCO[C@H](C(=O)NCc1cccc(OC)c1O)C1CC1 ZINC000860240667 710499687 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960861139 /nfs/dbraw/zinc/86/11/39/960861139.db2.gz VETJKMCTWVUKIO-UHFFFAOYSA-N 0 0 281.356 1.073 20 10 CDCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(F)CCOC1 ZINC001324098426 961161700 /nfs/dbraw/zinc/16/17/00/961161700.db2.gz AQQHBJIALDNAGV-OTYXRUKQSA-N 0 0 283.299 1.274 20 10 CDCDRN C[C@H]([NH2+]CCN1CCC(CO)CC1)c1c([O-])cccc1F ZINC001337585969 961295883 /nfs/dbraw/zinc/29/58/83/961295883.db2.gz OINWSSMYUXFJRM-LBPRGKRZSA-N 0 0 296.386 1.886 20 10 CDCDRN CCOC(=O)NCCC(=O)NCc1ccc(N)cc1 ZINC001346210416 964988500 /nfs/dbraw/zinc/98/85/00/964988500.db2.gz QRNHBPWXHJLGCH-UHFFFAOYSA-N 0 0 265.313 1.021 20 10 CDCDRN CO[C@H](C(=O)NCc1ccc(N)cc1)c1cnn(C)c1 ZINC001346210200 964989711 /nfs/dbraw/zinc/98/97/11/964989711.db2.gz PFSFQFUDWUTUBS-ZDUSSCGKSA-N 0 0 274.324 1.006 20 10 CDCDRN CC[C@H](CO)N(C)C(=O)NCc1ccc(N)cc1 ZINC001346739376 965235486 /nfs/dbraw/zinc/23/54/86/965235486.db2.gz QFKVVQDRBWJDKW-GFCCVEGCSA-N 0 0 251.330 1.181 20 10 CDCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1ncnn1C ZINC001347178753 965409297 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C[C@@H]([NH2+]CC1(C)COC1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589976456 1173218312 /nfs/dbraw/zinc/21/83/12/1173218312.db2.gz FUZXRINAXKWHRO-SECBINFHSA-N 0 0 289.339 1.259 20 10 CDCDRN CC[C@@H](O)C[NH2+][C@@H](CC)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001590465913 1173419748 /nfs/dbraw/zinc/41/97/48/1173419748.db2.gz HTUBPHMDKKDHON-SKDRFNHKSA-N 0 0 291.355 1.384 20 10 CDCDRN CN(Cc1ccccc1O)c1ccncc1-c1nn[nH]n1 ZINC001591147445 1173581770 /nfs/dbraw/zinc/58/17/70/1173581770.db2.gz LCBYEWRXLUTOJT-UHFFFAOYSA-N 0 0 282.307 1.604 20 10 CDCDRN CCOCc1cc(C[NH2+]CCC(=O)[O-])ccc1OC ZINC001603841577 1175651099 /nfs/dbraw/zinc/65/10/99/1175651099.db2.gz AQZOPZFCPQWNMR-UHFFFAOYSA-N 0 0 267.325 1.796 20 10 CDCDRN Nc1nc(NCCCSc2nccs2)nc(N)[nH+]1 ZINC000858408103 711839767 /nfs/dbraw/zinc/83/97/67/711839767.db2.gz LXFZGORYOPTHSK-UHFFFAOYSA-N 0 0 283.386 1.087 20 10 CDCDRN CC[C@H]([NH2+][C@H](C)c1c([O-])cccc1F)C(=O)NC ZINC000886622027 711849064 /nfs/dbraw/zinc/84/90/64/711849064.db2.gz IWEAIJDQDOKKML-SCZZXKLOSA-N 0 0 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C[C@@H]1[C@H](C)N(Cc2cc3c(cc2O)OCO3)CC[N@H+]1C ZINC000775986193 712142877 /nfs/dbraw/zinc/14/28/77/712142877.db2.gz POSRHYJHQFIUBI-MNOVXSKESA-N 0 0 278.352 1.645 20 10 CDCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2nc(C)nn2C)c1 ZINC000836194538 712159413 /nfs/dbraw/zinc/15/94/13/712159413.db2.gz OQYZLMWTBNAOFV-MRVPVSSYSA-N 0 0 290.323 1.329 20 10 CDCDRN CC(=O)N[C@@H](CC(=O)OCC(=O)C(C)=O)c1cccs1 ZINC000808490060 712159488 /nfs/dbraw/zinc/15/94/88/712159488.db2.gz AIXJUYRSCJZYJB-JTQLQIEISA-N 0 0 297.332 1.017 20 10 CDCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CC1OCCO1 ZINC000789964404 712171433 /nfs/dbraw/zinc/17/14/33/712171433.db2.gz QWZXAGUUIXLFOE-UHFFFAOYSA-N 0 0 292.379 1.864 20 10 CDCDRN COc1ccc(CNC(=S)NC2CC2)c(O)c1 ZINC000795031541 712178657 /nfs/dbraw/zinc/17/86/57/712178657.db2.gz KEKBLJQKRQJFGA-UHFFFAOYSA-N 0 0 252.339 1.527 20 10 CDCDRN CCO[C@@H]1COC[C@H]1NC(=O)NCc1cc(C)ccc1O ZINC000858524399 712180803 /nfs/dbraw/zinc/18/08/03/712180803.db2.gz MIEUPENWMWWZOC-TZMCWYRMSA-N 0 0 294.351 1.304 20 10 CDCDRN CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817958464 712186637 /nfs/dbraw/zinc/18/66/37/712186637.db2.gz JVUHJPCKSJZMCY-JOYOIKCWSA-N 0 0 267.329 1.934 20 10 CDCDRN C[C@H](NCc1ccc(N(C)C)cc1)c1cn(C)nn1 ZINC000715833889 712193415 /nfs/dbraw/zinc/19/34/15/712193415.db2.gz BDDXEKOXWIUPIN-NSHDSACASA-N 0 0 259.357 1.732 20 10 CDCDRN CCC[C@H]1CN(C(=O)Cc2ccc(N)cc2)CCO1 ZINC000709060630 712208910 /nfs/dbraw/zinc/20/89/10/712208910.db2.gz CATZXLZWKQSVQP-AWEZNQCLSA-N 0 0 262.353 1.839 20 10 CDCDRN O=C(c1cccc(O)c1O)N1CCC(O)(C(F)F)CC1 ZINC000790943423 712217262 /nfs/dbraw/zinc/21/72/62/712217262.db2.gz LFTHHLKLRTWQKK-UHFFFAOYSA-N 0 0 287.262 1.330 20 10 CDCDRN Cc1ccc2c(c1)/C(=C/c1cn(C)nn1)C(=O)N2C ZINC000811701424 712221096 /nfs/dbraw/zinc/22/10/96/712221096.db2.gz WDUYMSZUGBOWAO-GHXNOFRVSA-N 0 0 254.293 1.641 20 10 CDCDRN C[C@@H]([NH2+][C@H](CO)CCF)c1cc([N+](=O)[O-])ccc1[O-] ZINC000846210376 712224676 /nfs/dbraw/zinc/22/46/76/712224676.db2.gz 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CDCDRN CCC[C@@H](C)NC(=O)C(=O)N(C)Cc1ccccc1O ZINC001321931422 960021867 /nfs/dbraw/zinc/02/18/67/960021867.db2.gz HUERUABWVWVURO-LLVKDONJSA-N 0 0 278.352 1.655 20 10 CDCDRN Nc1ccc(CNC(=O)N[C@H]2CCn3ccnc3C2)cc1 ZINC001336880623 960697306 /nfs/dbraw/zinc/69/73/06/960697306.db2.gz WTLXVKRUIBHAFC-ZDUSSCGKSA-N 0 0 285.351 1.280 20 10 CDCDRN Nc1ccc(CNC(=O)NC2(CO)CCCC2)cc1 ZINC001337070339 960914774 /nfs/dbraw/zinc/91/47/74/960914774.db2.gz NEVUJPGHHVJRSN-UHFFFAOYSA-N 0 0 263.341 1.373 20 10 CDCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)cc1 ZINC001343510700 964018399 /nfs/dbraw/zinc/01/83/99/964018399.db2.gz TYCYQBNQUBWXNE-RRFJBIMHSA-N 0 0 289.379 1.872 20 10 CDCDRN C[C@@H](C(=O)NCCc1ccc(N)cc1)n1ccnc1 ZINC001346089302 964917587 /nfs/dbraw/zinc/91/75/87/964917587.db2.gz OPQMUWABZIADBE-NSHDSACASA-N 0 0 258.325 1.385 20 10 CDCDRN CC(C)(CCO)CNC(=O)NCc1ccc(N)cc1 ZINC001346739469 965233944 /nfs/dbraw/zinc/23/39/44/965233944.db2.gz RFASCEPYTBYCGC-UHFFFAOYSA-N 0 0 265.357 1.477 20 10 CDCDRN 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CO[C@@H]1CCC[C@@H](C(=O)NCc2cccc(O)c2O)C1 ZINC001528771758 968927643 /nfs/dbraw/zinc/92/76/43/968927643.db2.gz XBLBHWRCWZIRGB-ZYHUDNBSSA-N 0 0 279.336 1.919 20 10 CDCDRN C[C@H]1CC[C@@H](CNC(=O)NCc2ccc(N)cc2)O1 ZINC001357434380 969588088 /nfs/dbraw/zinc/58/80/88/969588088.db2.gz JEVWVOAFTDMTOB-GWCFXTLKSA-N 0 0 263.341 1.636 20 10 CDCDRN COc1ccc(CNC(=O)[C@H]2CCC[C@@H]2OC)c(O)c1 ZINC001358185377 969705859 /nfs/dbraw/zinc/70/58/59/969705859.db2.gz KGFCOBXXXKUNOE-JSGCOSHPSA-N 0 0 279.336 1.832 20 10 CDCDRN Nc1ccc(Cc2nc([C@H]3CCS(=O)(=O)C3)no2)cc1 ZINC000149787041 970064150 /nfs/dbraw/zinc/06/41/50/970064150.db2.gz JYWDXIOQXKMRIC-JTQLQIEISA-N 0 0 293.348 1.145 20 10 CDCDRN CCOc1cccc(C[NH2+][C@H](C)CC(=O)[O-])c1O ZINC001610372758 970732568 /nfs/dbraw/zinc/73/25/68/970732568.db2.gz DNHWXTCEUYHKOJ-SECBINFHSA-N 0 0 253.298 1.744 20 10 CDCDRN C[C@@H]([NH2+][C@@H](C)CCO)c1cc(C(=O)[O-])ccc1O ZINC001592529378 978385817 /nfs/dbraw/zinc/38/58/17/978385817.db2.gz QDAYWGXEOPSKBQ-DTWKUNHWSA-N 0 0 253.298 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ZINC000272238964 365146206 /nfs/dbraw/zinc/14/62/06/365146206.db2.gz GAUKIXDVOIVLMU-UHFFFAOYSA-N 0 0 280.343 1.832 20 10 CDCDRN Cc1c(/C=C/C(=O)N2CCc3ccncc32)cnn1C ZINC000273464047 365498210 /nfs/dbraw/zinc/49/82/10/365498210.db2.gz GQSCBISHMAEMEH-ONEGZZNKSA-N 0 0 268.320 1.726 20 10 CDCDRN CC[C@@H](O)CC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273590542 365510461 /nfs/dbraw/zinc/51/04/61/365510461.db2.gz PCCNTBPVNIQQIV-ZYHUDNBSSA-N 0 0 281.352 1.990 20 10 CDCDRN CC(C)n1nccc1C=C1SC(=S)NC1=O ZINC000281283291 367616787 /nfs/dbraw/zinc/61/67/87/367616787.db2.gz XOWMMKHYDGYALU-YVMONPNESA-N 0 0 253.352 1.953 20 10 CDCDRN C[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1cc([N+](=O)[O-])ccc1[O-] ZINC000282862924 368076073 /nfs/dbraw/zinc/07/60/73/368076073.db2.gz UUQFQUXTZLIHBW-BDAKNGLRSA-N 0 0 299.302 1.425 20 10 CDCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2nncs2)c1 ZINC000530184459 368147223 /nfs/dbraw/zinc/14/72/23/368147223.db2.gz LIWYJQAMZMMWJH-SSDOTTSWSA-N 0 0 279.321 1.743 20 10 CDCDRN COCC1([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000283876235 368413486 /nfs/dbraw/zinc/41/34/86/368413486.db2.gz GWRFZAIHBPANSR-UHFFFAOYSA-N 0 0 266.297 1.959 20 10 CDCDRN C[C@@H]([NH2+][C@@H](C)c1ncnn1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000276572008 296152459 /nfs/dbraw/zinc/15/24/59/296152459.db2.gz HGXJXWQHLMQQEX-BDAKNGLRSA-N 0 0 291.311 1.841 20 10 CDCDRN CN(C)c1ccc(CNC(=O)c2cnn3c2CCC3)cc1 ZINC000294215651 370998559 /nfs/dbraw/zinc/99/85/59/370998559.db2.gz AUCIVARRNBXOOJ-UHFFFAOYSA-N 0 0 284.363 1.825 20 10 CDCDRN O=C(c1cccc(O)c1O)N1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000294690320 371084415 /nfs/dbraw/zinc/08/44/15/371084415.db2.gz GDJHASINFWHHEE-ZBFHGGJFSA-N 0 0 289.331 1.881 20 10 CDCDRN O=C1NCCCC[C@@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000295836060 371397864 /nfs/dbraw/zinc/39/78/64/371397864.db2.gz FIIYROLPKQOHOW-RYUDHWBXSA-N 0 0 260.337 1.638 20 10 CDCDRN COCCC(=O)NCc1ccc2c(c1)CCCN2C ZINC000169811719 541908073 /nfs/dbraw/zinc/90/80/73/541908073.db2.gz LQOAZQSNTRPAJU-UHFFFAOYSA-N 0 0 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CDCDRN Cn1cc(-c2c[nH]cc2C(=O)N2CCCc3n[nH]cc32)cn1 ZINC000447573731 330870600 /nfs/dbraw/zinc/87/06/00/330870600.db2.gz IWCMBSQTIWMYND-UHFFFAOYSA-N 0 0 296.334 1.731 20 10 CDCDRN Cc1cnc2c(c1)N(C(=O)/C=C/c1cnccn1)CCO2 ZINC000492246983 332388832 /nfs/dbraw/zinc/38/88/32/332388832.db2.gz HKMRQGNQPKLZLG-NSCUHMNNSA-N 0 0 282.303 1.619 20 10 CDCDRN Cc1nn(C)c2c1N(C(=O)/C=C\c1cncc(C)c1)CCO2 ZINC000492365201 332394268 /nfs/dbraw/zinc/39/42/68/332394268.db2.gz KREJQBMAYRCJEA-PLNGDYQASA-N 0 0 298.346 1.871 20 10 CDCDRN CN(C(=O)/C=C/c1cncc(O)c1)c1ccn(C)n1 ZINC000492641546 332407656 /nfs/dbraw/zinc/40/76/56/332407656.db2.gz DDEDBMXGLVEZAV-ONEGZZNKSA-N 0 0 258.281 1.197 20 10 CDCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1COC(=O)N1 ZINC000496247224 332543629 /nfs/dbraw/zinc/54/36/29/332543629.db2.gz STHLICHCAKEMSJ-NSHDSACASA-N 0 0 287.319 1.211 20 10 CDCDRN C[C@H](CS(C)(=O)=O)N(C)Cc1cc(Cl)ccc1O ZINC000093384593 1159674212 /nfs/dbraw/zinc/67/42/12/1159674212.db2.gz RBPUCJYOKMSOIE-SECBINFHSA-N 0 0 291.800 1.911 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959131399 /nfs/dbraw/zinc/13/13/99/959131399.db2.gz KAQVCJKTIVHVHZ-UHFFFAOYSA-N 0 0 259.309 1.998 20 10 CDCDRN C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C(=O)[O-] ZINC001594240791 959529729 /nfs/dbraw/zinc/52/97/29/959529729.db2.gz AXCJMTXMZMVRJT-NSHDSACASA-N 0 0 295.358 1.140 20 10 CDCDRN CC[C@@H]1CN(C(=O)NCc2ccc(N)cc2)[C@@H](C)CO1 ZINC001337019749 960858133 /nfs/dbraw/zinc/85/81/33/960858133.db2.gz UHVDRDYIFMPTFQ-SMDDNHRTSA-N 0 0 277.368 1.978 20 10 CDCDRN CO[C@H]1CCC[C@H]1CNC(=O)NCc1ccc(N)cc1 ZINC001338583014 961889472 /nfs/dbraw/zinc/88/94/72/961889472.db2.gz PZTSQPCLEJLIPV-JSGCOSHPSA-N 0 0 277.368 1.883 20 10 CDCDRN C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001339876773 962599519 /nfs/dbraw/zinc/59/95/19/962599519.db2.gz YRBWOUMFNSWQMU-CJNGLKHVSA-N 0 0 287.407 1.901 20 10 CDCDRN Cc1nc([C@@H](C)NC(=O)c2cccc(O)c2O)no1 ZINC001344117446 964237215 /nfs/dbraw/zinc/23/72/15/964237215.db2.gz YIZAXQIXKUJDSC-ZCFIWIBFSA-N 0 0 263.253 1.280 20 10 CDCDRN Nc1ccc(CNC(=O)CCCn2cccn2)cc1 ZINC001346209099 964986674 /nfs/dbraw/zinc/98/66/74/964986674.db2.gz DTVXFWWZNBNZRA-UHFFFAOYSA-N 0 0 258.325 1.562 20 10 CDCDRN CO[C@H]1COCC[C@H]1CNC(=O)NCc1ccc(N)cc1 ZINC001346648283 965196027 /nfs/dbraw/zinc/19/60/27/965196027.db2.gz MGHSHSCWIMCPJD-JSGCOSHPSA-N 0 0 293.367 1.120 20 10 CDCDRN COC(=O)[C@@]1(C)CCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001346737855 965231706 /nfs/dbraw/zinc/23/17/06/965231706.db2.gz ASWAZXFVDAWCQC-HNNXBMFYSA-N 0 0 291.351 1.363 20 10 CDCDRN O=C(NCc1cccc(O)c1O)C(F)(F)C1(O)CCC1 ZINC001349078807 966265833 /nfs/dbraw/zinc/26/58/33/966265833.db2.gz JUMXDQZBXUWXIS-UHFFFAOYSA-N 0 0 287.262 1.264 20 10 CDCDRN O=C([O-])[C@@H]([NH2+]Cc1ccccc1O)[C@H]1CCCOC1 ZINC001350610110 966710495 /nfs/dbraw/zinc/71/04/95/966710495.db2.gz DCNAAYIRTQZUJC-AAEUAGOBSA-N 0 0 265.309 1.362 20 10 CDCDRN C[C@@H]1OCC[C@@H]1C(=O)NCc1cccc(O)c1O ZINC001352657265 967406043 /nfs/dbraw/zinc/40/60/43/967406043.db2.gz BKECMSOSPQRRMN-WPRPVWTQSA-N 0 0 251.282 1.139 20 10 CDCDRN CC[C@@H](C)NC(=S)NCc1ccc(O)cc1O ZINC001200492962 968325372 /nfs/dbraw/zinc/32/53/72/968325372.db2.gz PCOCWMIFSLFNCG-MRVPVSSYSA-N 0 0 254.355 1.860 20 10 CDCDRN CN(C)Cc1cc(C(=O)NCc2cccc(O)c2O)no1 ZINC001528771172 968926917 /nfs/dbraw/zinc/92/69/17/968926917.db2.gz LULUZKNDHGKTDD-UHFFFAOYSA-N 0 0 291.307 1.077 20 10 CDCDRN CN(C)C(=O)[C@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC001528910796 968954002 /nfs/dbraw/zinc/95/40/02/968954002.db2.gz SYUJYYRTBKYLDC-VIFPVBQESA-N 0 0 282.365 1.394 20 10 CDCDRN COc1cccc(O)c1C[N@H+](C[C@H](C)O)C1CC1 ZINC000848928441 969357914 /nfs/dbraw/zinc/35/79/14/969357914.db2.gz DJNOBGRTAJJTHP-JTQLQIEISA-N 0 0 251.326 1.746 20 10 CDCDRN C[C@@H](C[C@@H]1CCOC1)NC(=O)NCc1ccc(N)cc1 ZINC001357261975 969560881 /nfs/dbraw/zinc/56/08/81/969560881.db2.gz PAKCULUEVNNRPF-AAEUAGOBSA-N 0 0 277.368 1.883 20 10 CDCDRN Cn1nccc1[C@H]([NH2+]Cc1cc(F)ccc1O)C(=O)[O-] ZINC001605567357 973812114 /nfs/dbraw/zinc/81/21/14/973812114.db2.gz DDEAKWJDIMVKDF-LBPRGKRZSA-N 0 0 279.271 1.180 20 10 CDCDRN COc1cccc([C@@H](C)[NH2+]C[C@H](C)C(=O)[O-])c1O ZINC001604857057 974100898 /nfs/dbraw/zinc/10/08/98/974100898.db2.gz MRGTTYAKCDBBLL-DTWKUNHWSA-N 0 0 253.298 1.772 20 10 CDCDRN CC[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)C(=O)[O-] ZINC001603959353 974435190 /nfs/dbraw/zinc/43/51/90/974435190.db2.gz CKXREMGGHKYLPR-JTQLQIEISA-N 0 0 253.298 1.662 20 10 CDCDRN Nc1ccc(CNC(=O)COC[C@@H]2CCCO2)cc1 ZINC001515333863 976432254 /nfs/dbraw/zinc/43/22/54/976432254.db2.gz XEEOUCUXECYWJF-ZDUSSCGKSA-N 0 0 264.325 1.081 20 10 CDCDRN CN(C)c1ccc(C[N@@H+]2C[C@@H](O)C[C@H](C(=O)[O-])C2)cc1F ZINC001598317732 991307065 /nfs/dbraw/zinc/30/70/65/991307065.db2.gz KQTPAIXFPKWNIZ-RYUDHWBXSA-N 0 0 296.342 1.159 20 10 CDCDRN C[N@@H+]1CCN(Cc2c(O)cccc2Cl)C[C@H](C(=O)[O-])C1 ZINC001598618547 993945910 /nfs/dbraw/zinc/94/59/10/993945910.db2.gz LEAGHUKDRIFQAL-SNVBAGLBSA-N 0 0 298.770 1.494 20 10 CDCDRN COC[C@@](C)(CC(=O)[O-])[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001599149701 998274394 /nfs/dbraw/zinc/27/43/94/998274394.db2.gz NSSUABXTEHTLTF-MRXNPFEDSA-N 0 0 293.363 1.981 20 10 CDCDRN CCCN(CC(=O)OC)Cc1cccc(OC)c1O ZINC000178870615 342532751 /nfs/dbraw/zinc/53/27/51/342532751.db2.gz ODMBGFQNSIVHGD-UHFFFAOYSA-N 0 0 267.325 1.786 20 10 CDCDRN CN(C)c1ccc(CNc2ccnc(C(N)=O)c2)cc1 ZINC000114183761 529782079 /nfs/dbraw/zinc/78/20/79/529782079.db2.gz MVTHYHSPSVZFHG-UHFFFAOYSA-N 0 0 270.336 1.859 20 10 CDCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1c[nH]cn1 ZINC000266305026 282296070 /nfs/dbraw/zinc/29/60/70/282296070.db2.gz BJHBAUPKAXIBMZ-UHFFFAOYSA-N 0 0 272.308 1.515 20 10 CDCDRN CC[C@H](CO)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000031726636 356769203 /nfs/dbraw/zinc/76/92/03/356769203.db2.gz VFFXMIFXORTMBC-GFCCVEGCSA-N 0 0 265.357 1.323 20 10 CDCDRN CCN(CC(=O)NCCC(=O)OC)c1ccc(OC)cc1 ZINC000299333767 357026544 /nfs/dbraw/zinc/02/65/44/357026544.db2.gz CQFLTELTTYGAAP-UHFFFAOYSA-N 0 0 294.351 1.201 20 10 CDCDRN C[C@@H](CO)CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000299321185 357028764 /nfs/dbraw/zinc/02/87/64/357028764.db2.gz LDOBTHUOXCSFDY-GFCCVEGCSA-N 0 0 291.395 1.497 20 10 CDCDRN CN(CC1(O)CCCC1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181254029 357328625 /nfs/dbraw/zinc/32/86/25/357328625.db2.gz JAUKSDZNPZAPJB-FNORWQNLSA-N 0 0 291.347 1.875 20 10 CDCDRN C[C@]1(O)CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181297899 357333081 /nfs/dbraw/zinc/33/30/81/357333081.db2.gz IDDFYLAOVISNDC-DRDHIDPGSA-N 0 0 277.320 1.484 20 10 CDCDRN CCO[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000058167364 357381654 /nfs/dbraw/zinc/38/16/54/357381654.db2.gz JBOKLRSBHLDBSM-NSHDSACASA-N 0 0 250.342 1.794 20 10 CDCDRN CCCCCN(CCO)C(=O)c1cccc(O)c1O ZINC000189537417 358022125 /nfs/dbraw/zinc/02/21/25/358022125.db2.gz JLOFIUWYHIYSRH-UHFFFAOYSA-N 0 0 267.325 1.723 20 10 CDCDRN CN(C)c1ccc(CNC(=O)NC[C@@H]2CC[C@@H](O)C2)cc1 ZINC000189810506 358041736 /nfs/dbraw/zinc/04/17/36/358041736.db2.gz BUBMPYGLQDTPOK-UKRRQHHQSA-N 0 0 291.395 1.713 20 10 CDCDRN O=C1OCC[C@]12CCCN2Cc1cc(F)ccc1O ZINC000190042161 358050579 /nfs/dbraw/zinc/05/05/79/358050579.db2.gz LSCOUYCXRYHXCH-CQSZACIVSA-N 0 0 265.284 1.813 20 10 CDCDRN CO[C@@H](C)CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000190414579 358072385 /nfs/dbraw/zinc/07/23/85/358072385.db2.gz ZDPBCIPYBLGNNV-JTQLQIEISA-N 0 0 283.347 1.726 20 10 CDCDRN C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)[C@@H]1CO ZINC000191186600 358118204 /nfs/dbraw/zinc/11/82/04/358118204.db2.gz FHELQBJHGGELLY-MWLCHTKSSA-N 0 0 265.309 1.324 20 10 CDCDRN CN(C)c1ccc(CNC(=O)C(C)(C)O)cc1F ZINC000191789875 358153889 /nfs/dbraw/zinc/15/38/89/358153889.db2.gz JYUWWTDUMBRKFI-UHFFFAOYSA-N 0 0 254.305 1.279 20 10 CDCDRN C[C@H]([NH2+]CC(C)(C)OCCO)c1cc([N+](=O)[O-])ccc1[O-] ZINC000287513427 299277695 /nfs/dbraw/zinc/27/76/95/299277695.db2.gz ZHUGKYDVUJHIFL-JTQLQIEISA-N 0 0 298.339 1.739 20 10 CDCDRN Oc1cc2c(cc1CN1CCOCC13CCC3)OCO2 ZINC000093510611 360298783 /nfs/dbraw/zinc/29/87/83/360298783.db2.gz JQWBMRKVAHKVPH-UHFFFAOYSA-N 0 0 277.320 1.876 20 10 CDCDRN C[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(F)cc1[O-] ZINC000281232168 363768408 /nfs/dbraw/zinc/76/84/08/363768408.db2.gz UUUSUXCWSMXJKS-SECBINFHSA-N 0 0 287.356 1.759 20 10 CDCDRN COc1cc(O)ccc1C=C1SC(=S)NC1=O ZINC000575327263 364008420 /nfs/dbraw/zinc/00/84/20/364008420.db2.gz KAWSFTBQUATNGW-RUDMXATFSA-N 0 0 267.331 1.890 20 10 CDCDRN CCN(CC)c1ccc(CNC(=O)c2nnc[nH]2)cc1 ZINC000269477219 364201460 /nfs/dbraw/zinc/20/14/60/364201460.db2.gz VAXPAPZYBRKFFT-UHFFFAOYSA-N 0 0 273.340 1.581 20 10 CDCDRN CCOC[C@@H](O)CN(C)c1ccc(OC)cc1OC ZINC000269845093 364356354 /nfs/dbraw/zinc/35/63/54/364356354.db2.gz WJCAWRDMINPURR-NSHDSACASA-N 0 0 269.341 1.537 20 10 CDCDRN Cc1ccc(C(=O)N[C@H](C)Cn2ccnc2)c(O)c1O ZINC000272527498 365277287 /nfs/dbraw/zinc/27/72/87/365277287.db2.gz ABYVODMCMOJGOZ-SNVBAGLBSA-N 0 0 275.308 1.421 20 10 CDCDRN CCOC(=O)C[C@H](C)CNC(=O)c1ccc(C)c(O)c1O ZINC000273059161 365467046 /nfs/dbraw/zinc/46/70/46/365467046.db2.gz XWBUDVQRYRZPAR-VIFPVBQESA-N 0 0 295.335 1.725 20 10 CDCDRN Cc1cc(O)c(CN2CC(=O)NCC2(C)C)cc1C ZINC000282854560 368069851 /nfs/dbraw/zinc/06/98/51/368069851.db2.gz WRPQXXIUNCIONF-UHFFFAOYSA-N 0 0 262.353 1.719 20 10 CDCDRN COC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1ccccc1O ZINC000286812915 368987117 /nfs/dbraw/zinc/98/71/17/368987117.db2.gz RYRAMOVLGDAHSQ-WDEREUQCSA-N 0 0 263.293 1.208 20 10 CDCDRN Cc1nnc([C@H](C)NC(=O)c2c(F)ccc(O)c2O)s1 ZINC000295025121 371119855 /nfs/dbraw/zinc/11/98/55/371119855.db2.gz UZMZKNQWEVTLJF-YFKPBYRVSA-N 0 0 297.311 1.888 20 10 CDCDRN CC[C@H](C)[C@H](CNC(=O)c1cccc(O)c1O)OC ZINC000294239942 371357249 /nfs/dbraw/zinc/35/72/49/371357249.db2.gz PCXSXRBGGTUSQF-CABZTGNLSA-N 0 0 267.325 1.889 20 10 CDCDRN CC(=O)NC1CN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000297501295 371996970 /nfs/dbraw/zinc/99/69/70/371996970.db2.gz UYMJWFDWTJNSSG-UHFFFAOYSA-N 0 0 287.407 1.997 20 10 CDCDRN Cn1nccc1NC(=O)c1ccc(C2=S=CC=C2)o1 ZINC000341150371 373354060 /nfs/dbraw/zinc/35/40/60/373354060.db2.gz UYXNNLKVWILVHI-UHFFFAOYSA-N 0 0 273.317 1.891 20 10 CDCDRN COc1c(O)c(CN(C2CC2)C2COC2)ccc1[N+](=O)[O-] ZINC000296070382 378715802 /nfs/dbraw/zinc/71/58/02/378715802.db2.gz PVMTXWMWQSRCON-UHFFFAOYSA-N 0 0 294.307 1.672 20 10 CDCDRN COc1cccc(CNC(=O)[C@@H]2CCCOC2)c1O ZINC000105649903 390516039 /nfs/dbraw/zinc/51/60/39/390516039.db2.gz YKBHHSFBYHMPPY-LLVKDONJSA-N 0 0 265.309 1.444 20 10 CDCDRN COC(=O)C[C@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000121379580 390885245 /nfs/dbraw/zinc/88/52/45/390885245.db2.gz PNZBRLRLHKENBS-NSHDSACASA-N 0 0 278.352 1.568 20 10 CDCDRN CNC(=O)NC(=O)CN(C)c1ccc(OC)c(Cl)c1 ZINC000121945307 390894614 /nfs/dbraw/zinc/89/46/14/390894614.db2.gz BBWYJDFPVAWHNR-UHFFFAOYSA-N 0 0 285.731 1.240 20 10 CDCDRN CCC[C@H]1C(=O)NCCN1Cc1cccc(OCC)c1O ZINC000093771534 390904239 /nfs/dbraw/zinc/90/42/39/390904239.db2.gz LPNSVOXGKYPJQU-ZDUSSCGKSA-N 0 0 292.379 1.891 20 10 CDCDRN COc1cccc(CNC(=O)NCC2CCOCC2)c1O ZINC000174490813 391123202 /nfs/dbraw/zinc/12/32/02/391123202.db2.gz PQODXOLCVODQHA-UHFFFAOYSA-N 0 0 294.351 1.627 20 10 CDCDRN O=C(C[C@H]1CCCO1)NCc1ccc(O)c(O)c1 ZINC000269109621 391239389 /nfs/dbraw/zinc/23/93/89/391239389.db2.gz QYDRJVLCCFYCMP-SNVBAGLBSA-N 0 0 251.282 1.283 20 10 CDCDRN Cc1ccc(C(=O)N2CCOC3(CCC3)C2)c(O)c1O ZINC000182960103 391247817 /nfs/dbraw/zinc/24/78/17/391247817.db2.gz OSLRPIWMPMGESP-UHFFFAOYSA-N 0 0 277.320 1.801 20 10 CDCDRN CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000183769947 391268662 /nfs/dbraw/zinc/26/86/62/391268662.db2.gz XBCVZQIKLMHYQR-NWDGAFQWSA-N 0 0 266.297 1.549 20 10 CDCDRN CCn1ncnc1CN(C)c1ccc2c(c1)OCO2 ZINC000193451174 391338887 /nfs/dbraw/zinc/33/88/87/391338887.db2.gz WBVPMGLZJYVBHE-UHFFFAOYSA-N 0 0 260.297 1.663 20 10 CDCDRN CC[C@H](O)CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000332734424 391837427 /nfs/dbraw/zinc/83/74/27/391837427.db2.gz UBVDOUZJYRPAPA-LBPRGKRZSA-N 0 0 278.352 1.639 20 10 CDCDRN COc1cc(C(=O)NCc2ccc(N(C)C)cc2)nn1C ZINC000274614546 397614803 /nfs/dbraw/zinc/61/48/03/397614803.db2.gz PSPNMYJCDCSZMW-UHFFFAOYSA-N 0 0 288.351 1.425 20 10 CDCDRN CCN(CC)c1ccc(CNC(=O)c2cn[nH]n2)cc1F ZINC000071889205 176290877 /nfs/dbraw/zinc/29/08/77/176290877.db2.gz KBPNSLQDDFIMGD-UHFFFAOYSA-N 0 0 291.330 1.720 20 10 CDCDRN CC(C)CCOCCNC(=O)c1cccc(O)c1O ZINC000126363077 260349058 /nfs/dbraw/zinc/34/90/58/260349058.db2.gz ICUJOIZSHMZXEC-UHFFFAOYSA-N 0 0 267.325 1.890 20 10 CDCDRN CCCN(CC(=O)N(C)C)C(=O)c1cccc(O)c1O ZINC000126328652 260350644 /nfs/dbraw/zinc/35/06/44/260350644.db2.gz WREDHIXZTHXSHU-UHFFFAOYSA-N 0 0 280.324 1.038 20 10 CDCDRN Nc1ccc(CC(=O)NC[C@@H](O)C2CCCCC2)cc1 ZINC000151973088 261058009 /nfs/dbraw/zinc/05/80/09/261058009.db2.gz QOUGIBYVKGUEEL-OAHLLOKOSA-N 0 0 276.380 1.869 20 10 CDCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CNC(C)=O ZINC000154198638 261088519 /nfs/dbraw/zinc/08/85/19/261088519.db2.gz BMBFGCMWQFYBIB-UHFFFAOYSA-N 0 0 277.368 1.237 20 10 CDCDRN CCC[C@@](C)(O)C(=O)NCc1cccc(OC)c1O ZINC000159749655 261193045 /nfs/dbraw/zinc/19/30/45/261193045.db2.gz NXRUDNXDJIZLRH-CQSZACIVSA-N 0 0 267.325 1.568 20 10 CDCDRN Cc1ccc(C(=O)N[C@@H](C)CCCO)c(O)c1O ZINC000182592580 261944933 /nfs/dbraw/zinc/94/49/33/261944933.db2.gz QOWKVKKWGLGUFY-VIFPVBQESA-N 0 0 253.298 1.297 20 10 CDCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1ncnc2c1cnn2C ZINC000184147753 262010391 /nfs/dbraw/zinc/01/03/91/262010391.db2.gz BQFALVYYTWNFHR-SECBINFHSA-N 0 0 299.334 1.818 20 10 CDCDRN CC(=O)CCCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000186410061 262092097 /nfs/dbraw/zinc/09/20/97/262092097.db2.gz YIJRDDQSJXUMHX-SNVBAGLBSA-N 0 0 279.336 1.904 20 10 CDCDRN COc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(O)CCOC2)c1 ZINC000186177756 262312288 /nfs/dbraw/zinc/31/22/88/262312288.db2.gz ATWKGEOUAKYOKA-HZMBPMFUSA-N 0 0 267.325 1.203 20 10 CDCDRN CN(C[C@@H](O)Cn1cccn1)c1ccc2c(c1)OCO2 ZINC000178882509 327797281 /nfs/dbraw/zinc/79/72/81/327797281.db2.gz QMIYHMDNPZWKGC-GFCCVEGCSA-N 0 0 275.308 1.109 20 10 CDCDRN CCc1nnc(CNCc2ccc(OC)c(C)c2)[nH]1 ZINC000296198624 327089249 /nfs/dbraw/zinc/08/92/49/327089249.db2.gz ZBFGDNAMOVODEG-UHFFFAOYSA-N 0 0 260.341 1.974 20 10 CDCDRN COc1ccc(O)c(CN2CCOC[C@@H]2[C@@H]2CCCO2)c1 ZINC000377689467 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Cc1cccc2nc(CNC(=O)c3cccc(O)c3O)cn21 ZINC000187083969 684835109 /nfs/dbraw/zinc/83/51/09/684835109.db2.gz AELUQAWQZRHMOL-UHFFFAOYSA-N 0 0 297.314 1.984 20 10 CDCDRN Cc1cc(N(C)C)ccc1CN1C(=O)NC(C)(C)C1=O ZINC000777655041 684835937 /nfs/dbraw/zinc/83/59/37/684835937.db2.gz CUHQVUHHFQHGBK-UHFFFAOYSA-N 0 0 275.352 1.891 20 10 CDCDRN O=C(c1c(F)ccc(O)c1O)N1CC[C@]2(CCOC2)C1 ZINC000789990481 684853113 /nfs/dbraw/zinc/85/31/13/684853113.db2.gz QCPXKCSSTHCFHZ-AWEZNQCLSA-N 0 0 281.283 1.490 20 10 CDCDRN COc1cccc(CNC(=O)c2ncc(C)o2)c1O ZINC000813811080 684862348 /nfs/dbraw/zinc/86/23/48/684862348.db2.gz PSPSAZRSGPRRDF-UHFFFAOYSA-N 0 0 262.265 1.627 20 10 CDCDRN Cc1cc(C[N@@H+](C)[C@@H](C)C(=O)[O-])ccc1N(C)C ZINC000846224598 684863340 /nfs/dbraw/zinc/86/33/40/684863340.db2.gz SWXGZICLICKAFL-NSHDSACASA-N 0 0 250.342 1.966 20 10 CDCDRN CC[C@]1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCO1 ZINC000785513128 684874793 /nfs/dbraw/zinc/87/47/93/684874793.db2.gz CYWJMEBRRZYZJP-GOEBONIOSA-N 0 0 293.363 1.819 20 10 CDCDRN CC[C@H](C(=O)NCc1ccc(OC)cc1O)C(=O)OC ZINC000794376967 684875174 /nfs/dbraw/zinc/87/51/74/684875174.db2.gz NXOLGSWODRLULJ-LLVKDONJSA-N 0 0 281.308 1.216 20 10 CDCDRN CCc1cccc(CN2CCOC[C@H]2CC(=O)OC)c1O ZINC000848912833 684877817 /nfs/dbraw/zinc/87/78/17/684877817.db2.gz XLVWJAQFURMVHW-CQSZACIVSA-N 0 0 293.363 1.719 20 10 CDCDRN C[C@@H]1CN(Cc2cc3c(cc2O)CCCC3)CC(=O)N1 ZINC000840131764 684883244 /nfs/dbraw/zinc/88/32/44/684883244.db2.gz DIRBYQOEQGJYIS-LLVKDONJSA-N 0 0 274.364 1.591 20 10 CDCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1CCOC1 ZINC000823985724 684899594 /nfs/dbraw/zinc/89/95/94/684899594.db2.gz BQMHEKQPZDAFRF-QMMMGPOBSA-N 0 0 255.701 1.698 20 10 CDCDRN CN1CC[C@](O)(C[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816570287 684900995 /nfs/dbraw/zinc/90/09/95/684900995.db2.gz PFZJDKSCRQCEKS-KRWDZBQOSA-N 0 0 286.375 1.702 20 10 CDCDRN COc1ccc([C@@H]2NC3(CCCC3)C(=O)N2C)c(O)c1 ZINC000742440258 684907037 /nfs/dbraw/zinc/90/70/37/684907037.db2.gz SQRDKVRSMZVLHH-CYBMUJFWSA-N 0 0 276.336 1.774 20 10 CDCDRN 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O=C(C=Cc1ccc(O)c(O)c1)N1CCc2n[nH]cc2C1 ZINC000779494338 685875857 /nfs/dbraw/zinc/87/58/57/685875857.db2.gz YHODUTPMLOJVJF-RQOWECAXSA-N 0 0 285.303 1.419 20 10 CDCDRN O=C(C[C@@H]1CCOC1)NCc1ccc(O)c(O)c1 ZINC000778930275 685881047 /nfs/dbraw/zinc/88/10/47/685881047.db2.gz RWLBNEXRHGZPHW-JTQLQIEISA-N 0 0 251.282 1.141 20 10 CDCDRN CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000840825903 685882196 /nfs/dbraw/zinc/88/21/96/685882196.db2.gz DTFGUXGWQDZLED-YDEJPDAXSA-N 0 0 255.289 1.596 20 10 CDCDRN C[C@@H](NC(=O)N[C@H]1CO[C@H](C)C1)c1ccccc1O ZINC000868741261 685884193 /nfs/dbraw/zinc/88/41/93/685884193.db2.gz PHHDARKSHWLONZ-GMTAPVOTSA-N 0 0 264.325 1.930 20 10 CDCDRN COC[C@@H](C)[C@@H](C)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000812627220 685885689 /nfs/dbraw/zinc/88/56/89/685885689.db2.gz RUJSIWKLNLKSLC-NXEZZACHSA-N 0 0 296.319 1.742 20 10 CDCDRN CN(CC(=O)NC1CCOCC1)c1ccc(N)cc1 ZINC000062769027 685898912 /nfs/dbraw/zinc/89/89/12/685898912.db2.gz LJKIMBCWTBRBHM-UHFFFAOYSA-N 0 0 263.341 1.000 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CCOc1cccc(CN2CC(O)(C(C)C)C2)c1O ZINC000839132942 686038634 /nfs/dbraw/zinc/03/86/34/686038634.db2.gz NTJWHXHBWVKNNZ-UHFFFAOYSA-N 0 0 265.353 1.994 20 10 CDCDRN COc1ccccc1-c1nnc(SCC(=O)C(C)=O)o1 ZINC000808015946 686041315 /nfs/dbraw/zinc/04/13/15/686041315.db2.gz SKRQHKWSMRZNDH-UHFFFAOYSA-N 0 0 292.316 1.995 20 10 CDCDRN C[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1cc(F)cc(F)c1[O-] ZINC000834910206 686051675 /nfs/dbraw/zinc/05/16/75/686051675.db2.gz VUDBCQSYVHGBLM-XLKFXECMSA-N 0 0 284.306 1.990 20 10 CDCDRN CN(C)c1ccc(CNS(=O)(=O)c2ccco2)cc1F ZINC000188645541 686067569 /nfs/dbraw/zinc/06/75/69/686067569.db2.gz RGSNCQSSDGWEAI-UHFFFAOYSA-N 0 0 298.339 1.963 20 10 CDCDRN Cc1ccc(O)c(CNC(=O)CCc2cncnc2)c1 ZINC000862755864 686070718 /nfs/dbraw/zinc/07/07/18/686070718.db2.gz LSAMTNLZBVNTNT-UHFFFAOYSA-N 0 0 271.320 1.740 20 10 CDCDRN C[C@H](C(=O)NCc1ccc(O)c(O)c1)C(F)(F)F ZINC000778920155 686075175 /nfs/dbraw/zinc/07/51/75/686075175.db2.gz YASCEFUNNHNDIP-ZCFIWIBFSA-N 0 0 263.215 1.912 20 10 CDCDRN 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COC[C@]1(C(=O)[O-])C[N@H+](Cc2cccc(C)c2O)CCO1 ZINC001593982875 956725552 /nfs/dbraw/zinc/72/55/52/956725552.db2.gz DGVRISVVKMASIA-HNNXBMFYSA-N 0 0 295.335 1.003 20 10 CDCDRN C=CC(=O)N(C)CC(=O)N(CCC)Cc1ccccc1O ZINC001331672803 957197227 /nfs/dbraw/zinc/19/72/27/957197227.db2.gz LLJRVNPKBQYQEK-UHFFFAOYSA-N 0 0 290.363 1.775 20 10 CDCDRN CC(C)(C)NC(=O)CCNC(=O)NCc1ccc(N)cc1 ZINC001335413234 959783872 /nfs/dbraw/zinc/78/38/72/959783872.db2.gz NVERPLZUGQTMIG-UHFFFAOYSA-N 0 0 292.383 1.373 20 10 CDCDRN Nc1nsc(N2CCN(Cc3ccc(N)cc3)CC2)n1 ZINC001336116213 960211063 /nfs/dbraw/zinc/21/10/63/960211063.db2.gz CYJYKJUCTDCTQU-UHFFFAOYSA-N 0 0 290.396 1.025 20 10 CDCDRN COc1ccc(CNc2cc(C)nc(CO)n2)c(O)c1 ZINC001323174993 960499472 /nfs/dbraw/zinc/49/94/72/960499472.db2.gz QFGUZJYDTVYTSR-UHFFFAOYSA-N 0 0 275.308 1.604 20 10 CDCDRN Nc1ccc(CNC(=O)NC[C@H]2CCCS2)cc1 ZINC001337014902 960846767 /nfs/dbraw/zinc/84/67/67/960846767.db2.gz FLXMONIBLOILHM-GFCCVEGCSA-N 0 0 265.382 1.964 20 10 CDCDRN CO[C@H]1CCCN(c2nnc(C3SC=CC3=O)n2C)C1 ZINC001337956487 961538780 /nfs/dbraw/zinc/53/87/80/961538780.db2.gz KPSMBKCISULBBJ-VIFPVBQESA-N 0 0 294.380 1.864 20 10 CDCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H]2C[C@@H]2F)cc1 ZINC001338213038 961695899 /nfs/dbraw/zinc/69/58/99/961695899.db2.gz FJYIUTNMBSTUOY-KBPBESRZSA-N 0 0 280.343 1.948 20 10 CDCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)C ZINC001342434953 963738626 /nfs/dbraw/zinc/73/86/26/963738626.db2.gz QNDRQIIVBKAPKU-NSHDSACASA-N 0 0 295.335 1.344 20 10 CDCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)c1 ZINC001342718734 963805174 /nfs/dbraw/zinc/80/51/74/963805174.db2.gz RXZFOTINWMLMGP-OUCADQQQSA-N 0 0 276.336 1.820 20 10 CDCDRN Cc1noc(CCCC(=O)NCc2ccc(N)cc2)n1 ZINC001346210822 964989224 /nfs/dbraw/zinc/98/92/24/964989224.db2.gz ZUTDKDDPSVERON-UHFFFAOYSA-N 0 0 274.324 1.599 20 10 CDCDRN CC[C@H]1CC[C@@H](C(=O)NCc2cccc(O)c2O)O1 ZINC001347543245 965582523 /nfs/dbraw/zinc/58/25/23/965582523.db2.gz ZBZXBCLDXVXPFK-JQWIXIFHSA-N 0 0 265.309 1.672 20 10 CDCDRN CCOC1CC2(C[C@H]2C(=O)NCc2cccc(O)c2O)C1 ZINC001348047089 965800838 /nfs/dbraw/zinc/80/08/38/965800838.db2.gz LOIMASGENOWILG-BGMSHATGSA-N 0 0 291.347 1.919 20 10 CDCDRN O=C(NCc1cccc(O)c1O)[C@@H]1CCCCO1 ZINC001350299552 966626351 /nfs/dbraw/zinc/62/63/51/966626351.db2.gz DEWLYWJLNPVWGM-NSHDSACASA-N 0 0 251.282 1.283 20 10 CDCDRN O=C([O-])[C@@H](Cc1c[nH]cn1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC001353952189 968366205 /nfs/dbraw/zinc/36/62/05/968366205.db2.gz GKKUAMAHNFWLQD-CYBMUJFWSA-N 0 0 287.319 1.130 20 10 CDCDRN O=C(NCc1cccc(O)c1O)C1(CF)CCC1 ZINC001528771778 968927905 /nfs/dbraw/zinc/92/79/05/968927905.db2.gz YDQOUJHUYPGNJV-UHFFFAOYSA-N 0 0 253.273 1.854 20 10 CDCDRN O=C(NCc1cccc(O)c1O)[C@@H]1CCCc2n[nH]cc21 ZINC001521852070 970367242 /nfs/dbraw/zinc/36/72/42/970367242.db2.gz RYSSIFWELHDXEO-SNVBAGLBSA-N 0 0 287.319 1.557 20 10 CDCDRN CCOc1cccc(C[NH+]2CC(C)(C(=O)[O-])C2)c1O ZINC000399142711 973193602 /nfs/dbraw/zinc/19/36/02/973193602.db2.gz AMROYYSETLHJGX-UHFFFAOYSA-N 0 0 265.309 1.697 20 10 CDCDRN CC(C)[N@H+](C)C[C@H](O)CSc1ncc(C(=O)[O-])s1 ZINC001591549317 992731980 /nfs/dbraw/zinc/73/19/80/992731980.db2.gz CMNHLOABVXGDIL-QMMMGPOBSA-N 0 0 290.410 1.635 20 10 CDCDRN CC(C)[C@@H](O)C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001593245925 994442805 /nfs/dbraw/zinc/44/28/05/994442805.db2.gz DXEUUICVUWUMAI-ZANVPECISA-N 0 0 267.325 1.758 20 10 CDCDRN CCc1cccc(C[NH2+]CCn2cc(C(=O)[O-])nn2)c1O ZINC001605828797 1163681623 /nfs/dbraw/zinc/68/16/23/1163681623.db2.gz NGQSSWCPQQXKDU-UHFFFAOYSA-N 0 0 290.323 1.034 20 10 CDCDRN COCCOCCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000274189489 365585992 /nfs/dbraw/zinc/58/59/92/365585992.db2.gz LKMYNNGMHQZTRR-LLVKDONJSA-N 0 0 297.351 1.198 20 10 CDCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC[C@@H](O)C1 ZINC000346379337 282295589 /nfs/dbraw/zinc/29/55/89/282295589.db2.gz LPKLBHBXPOVYHU-WCQYABFASA-N 0 0 290.363 1.639 20 10 CDCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC1CC1 ZINC000026518656 348660108 /nfs/dbraw/zinc/66/01/08/348660108.db2.gz FDOJRJFJVJZUAT-UHFFFAOYSA-N 0 0 289.379 1.827 20 10 CDCDRN CCOCCN(CC)C(=O)Cc1ccc(N)cc1 ZINC000104200513 185928124 /nfs/dbraw/zinc/92/81/24/185928124.db2.gz HSPGEURARKFFKK-UHFFFAOYSA-N 0 0 250.342 1.696 20 10 CDCDRN COc1cc(N2CCN(C(C)=O)CC2)cc(OC)c1OC ZINC000006022441 356066340 /nfs/dbraw/zinc/06/63/40/356066340.db2.gz MZBUGEQYUNPWRW-UHFFFAOYSA-N 0 0 294.351 1.381 20 10 CDCDRN CCCCN1CC(=O)N[C@H]1c1cc(O)c(O)c(OC)c1 ZINC000298771013 356912540 /nfs/dbraw/zinc/91/25/40/356912540.db2.gz DUAODGPGIQEFAX-CQSZACIVSA-N 0 0 280.324 1.337 20 10 CDCDRN O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCO1 ZINC000049740520 357221851 /nfs/dbraw/zinc/22/18/51/357221851.db2.gz WLIWIZNOBGJHON-OAHLLOKOSA-N 0 0 290.363 1.318 20 10 CDCDRN COCCCCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180660200 357280678 /nfs/dbraw/zinc/28/06/78/357280678.db2.gz XBGUVWWCQANJOD-FNORWQNLSA-N 0 0 265.309 1.654 20 10 CDCDRN COc1cccc(CNC(=O)CC[C@H](C)OC)c1O ZINC000184026014 357475099 /nfs/dbraw/zinc/47/50/99/357475099.db2.gz KNLOGSTVRZNMHP-JTQLQIEISA-N 0 0 267.325 1.832 20 10 CDCDRN CS[C@@H](C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186393265 357645261 /nfs/dbraw/zinc/64/52/61/357645261.db2.gz JOLGAXJFAWJZFT-IUCAKERBSA-N 0 0 269.366 1.897 20 10 CDCDRN CCC(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000188118643 357848796 /nfs/dbraw/zinc/84/87/96/357848796.db2.gz OGUDTJRUDLVEIR-UHFFFAOYSA-N 0 0 289.379 1.381 20 10 CDCDRN COCCO[C@@H]1CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000188826116 357941617 /nfs/dbraw/zinc/94/16/17/357941617.db2.gz QLKBCEXGWBZTCX-CYBMUJFWSA-N 0 0 281.352 1.638 20 10 CDCDRN C[C@H]([NH2+]CC(=O)NCC(F)F)c1ccc(F)c(F)c1[O-] ZINC000280181535 299275737 /nfs/dbraw/zinc/27/57/37/299275737.db2.gz AFTHTDCMROHIIE-LURJTMIESA-N 0 0 294.248 1.702 20 10 CDCDRN C[C@@H](NC(=O)NCc1ccccc1O)[C@H]1CCOC1 ZINC000266631657 363625902 /nfs/dbraw/zinc/62/59/02/363625902.db2.gz WXHLSENXQDUBTM-PWSUYJOCSA-N 0 0 264.325 1.616 20 10 CDCDRN C[C@H]([NH2+]CCOCCO)c1ccc(F)c(F)c1[O-] ZINC000191186797 299299693 /nfs/dbraw/zinc/29/96/93/299299693.db2.gz XZHLYJWKPZMHMX-QMMMGPOBSA-N 0 0 261.268 1.330 20 10 CDCDRN C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000228094322 359932082 /nfs/dbraw/zinc/93/20/82/359932082.db2.gz CKYGOYUEVKTCQZ-NOZJJQNGSA-N 0 0 271.744 1.675 20 10 CDCDRN O=C(CC[C@@H]1CCCO1)NCCc1ccc(O)c(O)c1 ZINC000269226128 364162611 /nfs/dbraw/zinc/16/26/11/364162611.db2.gz RXUMSVZGXJALAS-LBPRGKRZSA-N 0 0 279.336 1.716 20 10 CDCDRN CCN(CC)c1ccc(CNC(=O)c2nnc[nH]2)cc1F ZINC000269392282 364188204 /nfs/dbraw/zinc/18/82/04/364188204.db2.gz AUOSRWFUWWEHMB-UHFFFAOYSA-N 0 0 291.330 1.720 20 10 CDCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCc3n[nH]cc3C2)cc1 ZINC000270085463 364453299 /nfs/dbraw/zinc/45/32/99/364453299.db2.gz BIYDDAJAPJNFPS-CYBMUJFWSA-N 0 0 298.390 1.897 20 10 CDCDRN CCCN(CC(=O)OC)Cc1cc(OC)c(OC)cc1O ZINC000271076467 364908895 /nfs/dbraw/zinc/90/88/95/364908895.db2.gz HFRILGDQNBIWGV-UHFFFAOYSA-N 0 0 297.351 1.794 20 10 CDCDRN COCCCOCC(=O)NCc1cccc(OC)c1O ZINC000271761366 364995631 /nfs/dbraw/zinc/99/56/31/364995631.db2.gz BKGFKGXARPSCFT-UHFFFAOYSA-N 0 0 283.324 1.070 20 10 CDCDRN CCOC(=O)CCCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272408978 365224573 /nfs/dbraw/zinc/22/45/73/365224573.db2.gz IUGSPQUUARMDAS-SOFGYWHQSA-N 0 0 293.319 1.571 20 10 CDCDRN CS[C@H](CO)[C@@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC000272739109 365374646 /nfs/dbraw/zinc/37/46/46/365374646.db2.gz LRUSQWNQMLMNMG-PSASIEDQSA-N 0 0 285.365 1.248 20 10 CDCDRN C[C@H]([NH2+]C[C@@]1(O)CCOC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273344754 365487087 /nfs/dbraw/zinc/48/70/87/365487087.db2.gz AKOLQKZYCMSVFU-ZANVPECISA-N 0 0 282.296 1.102 20 10 CDCDRN CC(C)S(=O)(=O)CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000290222509 367048477 /nfs/dbraw/zinc/04/84/77/367048477.db2.gz RWZWIUWHLJRSKM-UHFFFAOYSA-N 0 0 291.800 1.958 20 10 CDCDRN COCC(=O)N1CCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000054543192 367580792 /nfs/dbraw/zinc/58/07/92/367580792.db2.gz ZUPKOWMWQXLSAD-UHFFFAOYSA-N 0 0 292.379 1.300 20 10 CDCDRN COCC[C@@H](CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000281797534 367688425 /nfs/dbraw/zinc/68/84/25/367688425.db2.gz YECDCEUIRSOAJK-UWVGGRQHSA-N 0 0 284.312 1.348 20 10 CDCDRN Cc1cc(C)c([C@@H](C)NCc2ncn(C)n2)c(O)c1 ZINC000294827931 371094894 /nfs/dbraw/zinc/09/48/94/371094894.db2.gz QUUBWYFFSOEHFP-LLVKDONJSA-N 0 0 260.341 1.988 20 10 CDCDRN CCn1nc(C)c(CN(C)c2ccc3c(c2)OCO3)n1 ZINC000294944776 371108750 /nfs/dbraw/zinc/10/87/50/371108750.db2.gz CXXLTMXORLCBCW-UHFFFAOYSA-N 0 0 274.324 1.972 20 10 CDCDRN CCO[C@@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2O)[C@@H]1OC ZINC000295018058 371119013 /nfs/dbraw/zinc/11/90/13/371119013.db2.gz UEJOWEJNSPNLGD-PLMOITTCSA-N 0 0 299.298 1.159 20 10 CDCDRN O=C(NCC1CC(F)(F)C1)c1cccc(O)c1O ZINC000293564863 371341056 /nfs/dbraw/zinc/34/10/56/371341056.db2.gz DOVYPPDOBZGJGO-UHFFFAOYSA-N 0 0 257.236 1.873 20 10 CDCDRN CO[C@@](C)(CNC(=O)c1c(F)ccc(O)c1O)C1CC1 ZINC000295938085 371525553 /nfs/dbraw/zinc/52/55/53/371525553.db2.gz GJFIYASTSHTAGD-AWEZNQCLSA-N 0 0 283.299 1.782 20 10 CDCDRN Nc1ccc(CNC(=O)c2cc(C3CC3)n[nH]2)cc1 ZINC000297202201 371970619 /nfs/dbraw/zinc/97/06/19/371970619.db2.gz MTFXHLMXMPPMBC-UHFFFAOYSA-N 0 0 256.309 1.799 20 10 CDCDRN Cn1ccc(/C=C\C(=O)N2CCN(C)c3ncccc32)c1 ZINC000493221636 375426396 /nfs/dbraw/zinc/42/63/96/375426396.db2.gz AJCXSUHPZXBWMQ-WAYWQWQTSA-N 0 0 282.347 1.916 20 10 CDCDRN COc1cc(N(C)C[C@@H](C)O)c([N+](=O)[O-])cc1OC ZINC000214230385 390581382 /nfs/dbraw/zinc/58/13/82/390581382.db2.gz KDRIFOHUVMFRKE-MRVPVSSYSA-N 0 0 270.285 1.429 20 10 CDCDRN COc1ccc(CNC(=O)[C@@H]2C[C@@]23CCOC3)c(O)c1 ZINC000373665666 391126799 /nfs/dbraw/zinc/12/67/99/391126799.db2.gz IUNBLWVWBJNQAL-SWLSCSKDSA-N 0 0 277.320 1.444 20 10 CDCDRN C[C@@H](CS(C)(=O)=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000176438320 391152375 /nfs/dbraw/zinc/15/23/75/391152375.db2.gz GQFWLAVYNHSJFQ-NSHDSACASA-N 0 0 298.408 1.050 20 10 CDCDRN CCC(CC)(CO)CNC(=O)c1ccc(C)c(O)c1O ZINC000182896219 391247013 /nfs/dbraw/zinc/24/70/13/391247013.db2.gz JQDOEEAVVOKPPU-UHFFFAOYSA-N 0 0 281.352 1.935 20 10 CDCDRN COCCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183487256 391266139 /nfs/dbraw/zinc/26/61/39/391266139.db2.gz AYGBUIACYUQZIX-VIFPVBQESA-N 0 0 253.298 1.182 20 10 CDCDRN C[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000278662694 391384135 /nfs/dbraw/zinc/38/41/35/391384135.db2.gz FMYFATXIMGGTFS-RBZYPMLTSA-N 0 0 296.323 1.491 20 10 CDCDRN Cn1ccc(/C=C\C(=O)N2CC(=O)Nc3cnccc32)c1 ZINC000493815808 393221215 /nfs/dbraw/zinc/22/12/15/393221215.db2.gz GHVGSZGYUHHRQR-IHWYPQMZSA-N 0 0 282.303 1.419 20 10 CDCDRN COc1cc([N+](=O)[O-])c(N2CCO[C@H](C)C2)cc1OC ZINC000271022056 286248713 /nfs/dbraw/zinc/24/87/13/286248713.db2.gz JMGUGURLUWLBIZ-SECBINFHSA-N 0 0 282.296 1.837 20 10 CDCDRN CCOc1ccc(O)c([C@@H]2NC(=O)[C@H]3CSCCN23)c1 ZINC000270815695 286563761 /nfs/dbraw/zinc/56/37/61/286563761.db2.gz QVAKDRYTNWTNNO-DGCLKSJQSA-N 0 0 294.376 1.337 20 10 CDCDRN CCOc1cccc(C[NH2+]CCCC(=O)[O-])c1O ZINC000037418279 173195563 /nfs/dbraw/zinc/19/55/63/173195563.db2.gz ABQHPMNUNMWFBV-UHFFFAOYSA-N 0 0 253.298 1.745 20 10 CDCDRN Cc1n[nH]c(C(=O)N(C)Cc2ccccc2O)c1[N+](=O)[O-] ZINC000072278816 176357344 /nfs/dbraw/zinc/35/73/44/176357344.db2.gz FJEBVOXIAQWBAY-UHFFFAOYSA-N 0 0 290.279 1.604 20 10 CDCDRN Cc1nn(C)cc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000156686163 261128902 /nfs/dbraw/zinc/12/89/02/261128902.db2.gz UDIOMBPWBNFBEU-UHFFFAOYSA-N 0 0 275.308 1.112 20 10 CDCDRN CN(CC(=O)N1CCOCC1)Cc1c(O)cccc1Cl ZINC000162348440 261278216 /nfs/dbraw/zinc/27/82/16/261278216.db2.gz WVQMMIWDSOUXOJ-UHFFFAOYSA-N 0 0 298.770 1.336 20 10 CDCDRN CCn1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cn1 ZINC000183479006 261976687 /nfs/dbraw/zinc/97/66/87/261976687.db2.gz KHYNXIAUQAJSLH-SNVBAGLBSA-N 0 0 289.335 1.675 20 10 CDCDRN Cc1nnc(C(=O)NCc2ccc(N(C)C)c(F)c2)s1 ZINC000185400772 262052923 /nfs/dbraw/zinc/05/29/23/262052923.db2.gz MKZYTSKYQCDRFC-UHFFFAOYSA-N 0 0 294.355 1.982 20 10 CDCDRN C[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000280756880 263064199 /nfs/dbraw/zinc/06/41/99/263064199.db2.gz FCZOLMGKQDYFOS-SDDRHHMPSA-N 0 0 283.343 1.827 20 10 CDCDRN COC(=O)[C@H](CCSC)NC(=O)Cc1ccc(N)cc1 ZINC000082700045 1173283037 /nfs/dbraw/zinc/28/30/37/1173283037.db2.gz MBXAWBUFQAGTJT-LBPRGKRZSA-N 0 0 296.392 1.222 20 10 CDCDRN C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCOC1 ZINC000266154203 289981001 /nfs/dbraw/zinc/98/10/01/289981001.db2.gz LJVQYVXIOYTOAS-UWVGGRQHSA-N 0 0 266.297 1.815 20 10 CDCDRN O=C1N[C@@H](c2cccc(F)c2O)N2CCSC[C@H]12 ZINC000272207588 304681903 /nfs/dbraw/zinc/68/19/03/304681903.db2.gz NNQCHOFQMBFCGM-MWLCHTKSSA-N 0 0 268.313 1.077 20 10 CDCDRN Nc1ccc(CC(=O)NC[C@@H]2CCCS2)cc1 ZINC000149447735 327689499 /nfs/dbraw/zinc/68/94/99/327689499.db2.gz GANSWLVLJCHABX-LBPRGKRZSA-N 0 0 250.367 1.823 20 10 CDCDRN CC(C)n1ccc(C(=O)NCc2ccc(O)c(O)c2)n1 ZINC000269093858 328189610 /nfs/dbraw/zinc/18/96/10/328189610.db2.gz MBXBXLYBQJKGFW-UHFFFAOYSA-N 0 0 275.308 1.805 20 10 CDCDRN Cc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)c(O)c1O ZINC000182841400 329245326 /nfs/dbraw/zinc/24/53/26/329245326.db2.gz SMGFYVXQNSNZBI-ZIAGYGMSSA-N 0 0 299.326 1.794 20 10 CDCDRN O=C(/C=C/c1cnccn1)N1CCC(=O)Nc2ccccc21 ZINC000491919005 332375365 /nfs/dbraw/zinc/37/53/65/332375365.db2.gz ZYNAWGZLFGRRHR-AATRIKPKSA-N 0 0 294.314 1.865 20 10 CDCDRN CN1CCN(C(=O)C=Cc2c[nH]cn2)c2cccnc21 ZINC000492767169 332412744 /nfs/dbraw/zinc/41/27/44/332412744.db2.gz NOFHXBZVBLDRBO-SNAWJCMRSA-N 0 0 269.308 1.301 20 10 CDCDRN CN(CCn1cccn1)C(=O)NCCc1ccc(N)cc1 ZINC000841955480 1160689484 /nfs/dbraw/zinc/68/94/84/1160689484.db2.gz DQGHUEYIINLKIQ-UHFFFAOYSA-N 0 0 287.367 1.349 20 10 CDCDRN CC(C)(C)C(=O)NCCC(=O)NCc1ccc(N)cc1 ZINC000299398507 518576215 /nfs/dbraw/zinc/57/62/15/518576215.db2.gz URUOTQSIZUIRTD-UHFFFAOYSA-N 0 0 277.368 1.437 20 10 CDCDRN CC(=O)CSCC(=O)NCc1ccccc1O ZINC000279841457 519426434 /nfs/dbraw/zinc/42/64/34/519426434.db2.gz LKHLZVVVVKGDEH-UHFFFAOYSA-N 0 0 253.323 1.331 20 10 CDCDRN CC(=O)NCCCCCC(=O)Nc1ccc(N)cc1 ZINC000236643719 519656344 /nfs/dbraw/zinc/65/63/44/519656344.db2.gz VRXFOLRTNOBGFK-UHFFFAOYSA-N 0 0 263.341 1.904 20 10 CDCDRN CC(=O)OC(C)(C)C(=O)NCc1ccc(O)c(O)c1 ZINC000275451673 519754444 /nfs/dbraw/zinc/75/44/44/519754444.db2.gz FAERADBZNXEUMH-UHFFFAOYSA-N 0 0 267.281 1.056 20 10 CDCDRN CCOc1cccc(CN[C@@H](C)C(=O)OC)c1O ZINC000037074012 521368958 /nfs/dbraw/zinc/36/89/58/521368958.db2.gz XLMUSVGXPWMJSH-VIFPVBQESA-N 0 0 253.298 1.442 20 10 CDCDRN CCC(O)(CC)C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000236856815 521655972 /nfs/dbraw/zinc/65/59/72/521655972.db2.gz YTLLMAKXYKUCDI-UHFFFAOYSA-N 0 0 268.313 1.941 20 10 CDCDRN COc1c([O-])c(C[N@H+](C)CC[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000278162041 521865403 /nfs/dbraw/zinc/86/54/03/521865403.db2.gz DSBJFLVTJTVWPU-SECBINFHSA-N 0 0 284.312 1.512 20 10 CDCDRN COc1c([O-])c(C[NH2+]CC(C)(C)N(C)C)ccc1[N+](=O)[O-] ZINC000278863290 521874471 /nfs/dbraw/zinc/87/44/71/521874471.db2.gz MDXDIZQTKXYUFM-UHFFFAOYSA-N 0 0 297.355 1.739 20 10 CDCDRN COc1c([O-])c(C[NH2+]C[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000278629490 521879410 /nfs/dbraw/zinc/87/94/10/521879410.db2.gz GQLWXFBCZAELTP-JTQLQIEISA-N 0 0 296.323 1.825 20 10 CDCDRN COc1c([O-])c(C[NH2+][C@@H]2CCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278473434 521879944 /nfs/dbraw/zinc/87/99/44/521879944.db2.gz HYPDIBDVUOVWGQ-MWLCHTKSSA-N 0 0 296.323 1.966 20 10 CDCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)N(C)C2CC2)cc1 ZINC000298220522 522163687 /nfs/dbraw/zinc/16/36/87/522163687.db2.gz IGPJPDPOKPDPFW-UHFFFAOYSA-N 0 0 289.379 1.332 20 10 CDCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCCCC(=O)N2)cc1 ZINC000193703516 522203720 /nfs/dbraw/zinc/20/37/20/522203720.db2.gz VVJVBBOGTHZGGW-CQSZACIVSA-N 0 0 289.379 1.428 20 10 CDCDRN COC[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000122846591 522333091 /nfs/dbraw/zinc/33/30/91/522333091.db2.gz BMZCWFSEKNCWHL-OAHLLOKOSA-N 0 0 291.395 1.977 20 10 CDCDRN COc1cc(N(C)Cc2cnn(C)n2)cc(OC)c1OC ZINC000289554981 522621827 /nfs/dbraw/zinc/62/18/27/522621827.db2.gz DSUXGTKJRCXRGZ-UHFFFAOYSA-N 0 0 292.339 1.477 20 10 CDCDRN CC[C@H](O)CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000292321468 522817826 /nfs/dbraw/zinc/81/78/26/522817826.db2.gz JEIXADRAOIAVEM-ZDUSSCGKSA-N 0 0 287.363 1.990 20 10 CDCDRN CN(C[C@@H]1CCCCO1)C(=O)Cc1ccc(N)cc1 ZINC000048946524 523030171 /nfs/dbraw/zinc/03/01/71/523030171.db2.gz WFXDCLYYNAWIEU-AWEZNQCLSA-N 0 0 262.353 1.839 20 10 CDCDRN CO[C@@H](C(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000279731158 523325578 /nfs/dbraw/zinc/32/55/78/523325578.db2.gz NRNVKPQUYSTNFT-CQSZACIVSA-N 0 0 262.353 1.794 20 10 CDCDRN COC(=O)NCCCC(=O)NCCc1ccc(N)cc1 ZINC000237271226 523450982 /nfs/dbraw/zinc/45/09/82/523450982.db2.gz VXYGLFQMUVULGB-UHFFFAOYSA-N 0 0 279.340 1.064 20 10 CDCDRN CCn1nncc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000292863433 523765854 /nfs/dbraw/zinc/76/58/54/523765854.db2.gz AXOHHNDZXOPMLQ-UHFFFAOYSA-N 0 0 291.330 1.433 20 10 CDCDRN CC[C@H](C)NC(=O)CCNC(=O)c1c(F)ccc(O)c1O ZINC000276618929 523967832 /nfs/dbraw/zinc/96/78/32/523967832.db2.gz QMHIFKGSDFMQOB-QMMMGPOBSA-N 0 0 298.314 1.272 20 10 CDCDRN C[C@H](CO)CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000265852365 524526427 /nfs/dbraw/zinc/52/64/27/524526427.db2.gz ASPSJRUMAATFQD-ZDUSSCGKSA-N 0 0 289.379 1.490 20 10 CDCDRN C[C@H]1CSCCN1C(=O)c1cccc(O)c1O ZINC000126428746 524756821 /nfs/dbraw/zinc/75/68/21/524756821.db2.gz IZRISSNFYDAIJX-QMMMGPOBSA-N 0 0 253.323 1.675 20 10 CDCDRN C[C@H](NC(=O)C(C)(C)C)C(=O)NCc1ccccc1O ZINC000299581739 524892580 /nfs/dbraw/zinc/89/25/80/524892580.db2.gz RHWZAZJSFZPQTR-JTQLQIEISA-N 0 0 278.352 1.559 20 10 CDCDRN Cc1ccc(O)c(CN2C[C@@H](C)S(=O)(=O)[C@@H](C)C2)c1 ZINC000291045947 525347217 /nfs/dbraw/zinc/34/72/17/525347217.db2.gz ZNDFQMSAFZXDFO-TXEJJXNPSA-N 0 0 283.393 1.708 20 10 CDCDRN CS[C@H](C)CC(=O)NCCc1ccc(O)c(O)c1 ZINC000122563463 525865241 /nfs/dbraw/zinc/86/52/41/525865241.db2.gz CYWCJJVNPZRPHN-SECBINFHSA-N 0 0 269.366 1.898 20 10 CDCDRN Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CO)C2)c(O)c1O ZINC000276840846 526136204 /nfs/dbraw/zinc/13/62/04/526136204.db2.gz MPDSIULRLGDEGJ-ZJUUUORDSA-N 0 0 265.309 1.107 20 10 CDCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000055522813 526682540 /nfs/dbraw/zinc/68/25/40/526682540.db2.gz PJXAJAYAIJFXKT-UHFFFAOYSA-N 0 0 278.327 1.689 20 10 CDCDRN O=C(NCc1ccccc1O)N[C@@H]1CCC[C@H]1CCO ZINC000275270242 526753757 /nfs/dbraw/zinc/75/37/57/526753757.db2.gz SWCAJKIGDHNADV-WCQYABFASA-N 0 0 278.352 1.743 20 10 CDCDRN O=C(NCc1ccccc1O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000290323050 526756064 /nfs/dbraw/zinc/75/60/64/526756064.db2.gz GURVKQBVTAUOIS-SGMGOOAPSA-N 0 0 277.320 1.060 20 10 CDCDRN O=C(c1cccc(O)c1O)N1CCOC2(CCOCC2)C1 ZINC000279992123 526772118 /nfs/dbraw/zinc/77/21/18/526772118.db2.gz UDZIHKHNZADTNO-UHFFFAOYSA-N 0 0 293.319 1.119 20 10 CDCDRN Cc1ncc(/C=C/C(=O)N(C)c2ccn(C)n2)s1 ZINC000274851836 527220625 /nfs/dbraw/zinc/22/06/25/527220625.db2.gz YMCVTZYFVWTEDY-SNAWJCMRSA-N 0 0 262.338 1.861 20 10 CDCDRN Cc1nccn1CCCNC(=O)c1cccc(O)c1O ZINC000280246602 527421114 /nfs/dbraw/zinc/42/11/14/527421114.db2.gz SILKXWJFUCFBHZ-UHFFFAOYSA-N 0 0 275.308 1.423 20 10 CDCDRN Cc1nn(C)c(C)c1OCC(=O)NCc1ccccc1O ZINC000268295876 527653685 /nfs/dbraw/zinc/65/36/85/527653685.db2.gz ZBBAYYAEXMVXBA-UHFFFAOYSA-N 0 0 289.335 1.438 20 10 CDCDRN CN(C)c1ccc(CNS(=O)(=O)C2CCOCC2)cc1 ZINC000103152674 1174677194 /nfs/dbraw/zinc/67/71/94/1174677194.db2.gz LTPVEMKMYNGEQO-UHFFFAOYSA-N 0 0 298.408 1.351 20 10 CDCDRN CN(C)c1ccc(CNC(=O)[C@]2(C)CCOC2)cc1 ZINC000754034190 574989362 /nfs/dbraw/zinc/98/93/62/574989362.db2.gz BPEKKINAUBGZRN-OAHLLOKOSA-N 0 0 262.353 1.795 20 10 CDCDRN COc1ccc([C@@H](O)CNC(=O)C2=CC(=O)CS2)cc1 ZINC000731869101 575068898 /nfs/dbraw/zinc/06/88/98/575068898.db2.gz LSVGVVXSOIULCM-LBPRGKRZSA-N 0 0 293.344 1.926 20 10 CDCDRN O=C(NCCCN1CCCCCC1=O)C1=CC(=O)CS1 ZINC000732265391 575084633 /nfs/dbraw/zinc/08/46/33/575084633.db2.gz XAUKTRZAEOAALT-UHFFFAOYSA-N 0 0 296.392 1.976 20 10 CDCDRN Cc1nc2n(n1)C[C@@H](NC(=O)C1=CC(=O)CS1)CC2 ZINC000732283856 575086728 /nfs/dbraw/zinc/08/67/28/575086728.db2.gz CQYHPKXUPNPJIG-QMMMGPOBSA-N 0 0 278.337 1.098 20 10 CDCDRN O=C(NCCc1ccc(O)c(O)c1)c1cnn2cccnc12 ZINC000762264308 576635543 /nfs/dbraw/zinc/63/55/43/576635543.db2.gz SPQZMXLDHZMCBM-UHFFFAOYSA-N 0 0 298.302 1.113 20 10 CDCDRN CC(C)[C@@](C)(O)C(=O)N(C)Cc1ccccc1O ZINC000771408185 575576359 /nfs/dbraw/zinc/57/63/59/575576359.db2.gz QKEKODNLJHQLPX-CQSZACIVSA-N 0 0 251.326 1.758 20 10 CDCDRN C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)C1=CC(=O)CS1 ZINC000736725616 575729733 /nfs/dbraw/zinc/72/97/33/575729733.db2.gz WLEQXDNTBKOBER-GMJGCRJXSA-N 0 0 273.379 1.435 20 10 CDCDRN COC(=O)N(C)CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773000212 575773425 /nfs/dbraw/zinc/77/34/25/575773425.db2.gz NWCHFWRJTKREAG-NSHDSACASA-N 0 0 293.367 1.628 20 10 CDCDRN C[C@H](NC(=O)C1(C)COC1)c1ccc(N(C)C)cc1 ZINC000772997260 575773457 /nfs/dbraw/zinc/77/34/57/575773457.db2.gz FDHMTMLTCJCHRY-NSHDSACASA-N 0 0 262.353 1.966 20 10 CDCDRN C[C@@H](NS(=O)(=O)c1c[nH]cn1)c1ccc(N(C)C)cc1 ZINC000773083762 575780682 /nfs/dbraw/zinc/78/06/82/575780682.db2.gz HXFPTOAHFQTWIT-SNVBAGLBSA-N 0 0 294.380 1.515 20 10 CDCDRN CN(C)c1ccc(CNC(=O)NOC2CCOCC2)cc1 ZINC000773532162 575820519 /nfs/dbraw/zinc/82/05/19/575820519.db2.gz OPTAOGWFPBSNDP-UHFFFAOYSA-N 0 0 293.367 1.662 20 10 CDCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cncs1 ZINC000773768549 575838341 /nfs/dbraw/zinc/83/83/41/575838341.db2.gz KCTSJQZYIRECIV-MRVPVSSYSA-N 0 0 278.333 1.915 20 10 CDCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(C)CCOC1 ZINC000773769204 575838402 /nfs/dbraw/zinc/83/84/02/575838402.db2.gz QVYSZWBAJBNADT-MEBBXXQBSA-N 0 0 279.336 1.572 20 10 CDCDRN CCN(C[C@H](O)CO[C@H](C)COC)c1ccc(OC)cc1 ZINC000773776059 575838640 /nfs/dbraw/zinc/83/86/40/575838640.db2.gz LHIJBSTWIXMBJL-HIFRSBDPSA-N 0 0 297.395 1.934 20 10 CDCDRN O=C(NCc1ccccc1O)c1cccc(CO)c1 ZINC000774062418 575850004 /nfs/dbraw/zinc/85/00/04/575850004.db2.gz CYEAHQUQFWURQK-UHFFFAOYSA-N 0 0 257.289 1.815 20 10 CDCDRN CC[C@H](C[C@@H](C)CO)NC(=O)C1=CC(=O)CS1 ZINC000765310751 576008318 /nfs/dbraw/zinc/00/83/18/576008318.db2.gz MIHCROSPRLLZFB-RKDXNWHRSA-N 0 0 257.355 1.981 20 10 CDCDRN COc1ccc2c(c1)CCCN2Cn1ncn(C)c1=O ZINC000766341048 576096459 /nfs/dbraw/zinc/09/64/59/576096459.db2.gz JXBVYSNGXUDTDQ-UHFFFAOYSA-N 0 0 274.324 1.001 20 10 CDCDRN O=Cc1cccc(OCC(=O)NCc2ccccc2O)c1 ZINC000769363199 576348632 /nfs/dbraw/zinc/34/86/32/576348632.db2.gz QGKHWEKWQPCNRD-UHFFFAOYSA-N 0 0 285.299 1.900 20 10 CDCDRN CC(=O)c1cc(F)cc(CN(C)[C@H]2CCNC2=O)c1O ZINC000759435489 576389543 /nfs/dbraw/zinc/38/95/43/576389543.db2.gz GZVHLAAGEUGRIB-LBPRGKRZSA-N 0 0 280.299 1.054 20 10 CDCDRN CO[C@@H](C)COC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000759590968 576408792 /nfs/dbraw/zinc/40/87/92/576408792.db2.gz BPPHDHGGFWNVKU-RNEXMXFGSA-N 0 0 252.266 1.689 20 10 CDCDRN COC(=O)N[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000761458014 576577768 /nfs/dbraw/zinc/57/77/68/576577768.db2.gz XAKYFIVTKGGGMC-NSHDSACASA-N 0 0 293.367 1.422 20 10 CDCDRN COc1cccc(CNC(=O)c2nccn3ccnc23)c1O ZINC000743331692 576633257 /nfs/dbraw/zinc/63/32/57/576633257.db2.gz BBUFHAXCZJOCQA-UHFFFAOYSA-N 0 0 298.302 1.374 20 10 CDCDRN COCCOC[C@@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000745863045 576745898 /nfs/dbraw/zinc/74/58/98/576745898.db2.gz BAKZMUGFBHHBHI-GFCCVEGCSA-N 0 0 296.367 1.585 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)c1ccc(C(N)=O)o1 ZINC000747420624 576869393 /nfs/dbraw/zinc/86/93/93/576869393.db2.gz MREPCRRQDMUDTB-UHFFFAOYSA-N 0 0 274.276 1.356 20 10 CDCDRN CC(C)COC[C@H](O)CNC(=O)C1=CC(=O)CS1 ZINC000748403854 576910781 /nfs/dbraw/zinc/91/07/81/576910781.db2.gz BHKCONDSGVIDHB-SNVBAGLBSA-N 0 0 273.354 1.217 20 10 CDCDRN Cn1cc(/C=C/C(=O)N2CC(=O)N(C)c3ccccc32)cn1 ZINC000748575333 576918346 /nfs/dbraw/zinc/91/83/46/576918346.db2.gz JKRWSPLCWXOAKF-BQYQJAHWSA-N 0 0 296.330 1.443 20 10 CDCDRN COCCN(C)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756528640 576993772 /nfs/dbraw/zinc/99/37/72/576993772.db2.gz OIFQLSVTFRSEGT-LLVKDONJSA-N 0 0 297.355 1.529 20 10 CDCDRN C[C@H](NC(=O)C(C)(C)O)c1ccc(N(C)C)cc1 ZINC000757598877 577045087 /nfs/dbraw/zinc/04/50/87/577045087.db2.gz SZEVNEXSZUXJII-JTQLQIEISA-N 0 0 250.342 1.701 20 10 CDCDRN Cc1cc(CNC(=O)N(C)Cc2ccccc2O)ncn1 ZINC000757661874 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Cc1cccc(C[NH+]2CC(c3cc(C(=O)[O-])n[nH]3)C2)c1O ZINC001600532820 1174498188 /nfs/dbraw/zinc/49/81/88/1174498188.db2.gz WWEIDYHORMEYOR-UHFFFAOYSA-N 0 0 287.319 1.721 20 10 CDCDRN COC(=O)CCS(=O)(=O)Nc1cc(C)c(O)cc1C ZINC000234530540 1178220179 /nfs/dbraw/zinc/22/01/79/1178220179.db2.gz BDSWZESNWZIKPY-UHFFFAOYSA-N 0 0 287.337 1.314 20 10 CDCDRN COc1ccc(CNC(=O)CC2(OC)CCC2)c(O)c1 ZINC000794381416 729337519 /nfs/dbraw/zinc/33/75/19/729337519.db2.gz NCVHSHFZFQQJLR-UHFFFAOYSA-N 0 0 279.336 1.976 20 10 CDCDRN C[C@@H](NC(=O)NCC(C)(C)O)c1ccc(N(C)C)cc1 ZINC000776250320 728756787 /nfs/dbraw/zinc/75/67/87/728756787.db2.gz UJERJKUCICMKJJ-LLVKDONJSA-N 0 0 279.384 1.884 20 10 CDCDRN COCC(C)(C)NC(=O)c1ccc(C)c(O)c1O ZINC000182313421 728803593 /nfs/dbraw/zinc/80/35/93/728803593.db2.gz HCYPVFVMTKWTKY-UHFFFAOYSA-N 0 0 253.298 1.561 20 10 CDCDRN CC[C@](C)(O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000929405804 728815909 /nfs/dbraw/zinc/81/59/09/728815909.db2.gz QJJBAYGRCSSJAJ-AWEZNQCLSA-N 0 0 250.342 1.530 20 10 CDCDRN 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ZINC000776356875 728907232 /nfs/dbraw/zinc/90/72/32/728907232.db2.gz GNRXPZVMPFUKBO-UHFFFAOYSA-N 0 0 288.307 1.167 20 10 CDCDRN COCCCOCC(=O)NCc1cc(Cl)ccc1O ZINC000846474309 728920864 /nfs/dbraw/zinc/92/08/64/728920864.db2.gz UJPWMZCBIMMVSR-UHFFFAOYSA-N 0 0 287.743 1.715 20 10 CDCDRN CC[C@@]1(C(=O)N(C)Cc2ccccc2O)CCNC1=O ZINC000866597483 728927442 /nfs/dbraw/zinc/92/74/42/728927442.db2.gz TYKBVOJXZDFUES-OAHLLOKOSA-N 0 0 276.336 1.267 20 10 CDCDRN C[C@H]1CCN(C(=O)NCCc2ccc(N)cc2)C[C@H]1CO ZINC000857103191 728934911 /nfs/dbraw/zinc/93/49/11/728934911.db2.gz DMIFYKDEWASYGU-JSGCOSHPSA-N 0 0 291.395 1.471 20 10 CDCDRN Cc1ccc(C(=O)N(C)[C@H](C)CCO)c(O)c1O ZINC000846602239 728942170 /nfs/dbraw/zinc/94/21/70/728942170.db2.gz QUVGERSHFVPQHU-SECBINFHSA-N 0 0 253.298 1.249 20 10 CDCDRN CCNC(=O)C(C)(C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708453463 729050773 /nfs/dbraw/zinc/05/07/73/729050773.db2.gz GVJVVKYWZIVFLY-UHFFFAOYSA-N 0 0 272.295 1.675 20 10 CDCDRN C[C@@H](NC(=O)/C=C1\SCC(=O)N1C)c1ccccc1O ZINC000827952223 728380207 /nfs/dbraw/zinc/38/02/07/728380207.db2.gz KGQKFLGHYTWHNZ-UGHKADQRSA-N 0 0 292.360 1.616 20 10 CDCDRN COc1ccc(CNC(=O)N[C@H]2C=CCC2)c(O)c1 ZINC000852508970 728386269 /nfs/dbraw/zinc/38/62/69/728386269.db2.gz SISOOGQVOSBTOE-NSHDSACASA-N 0 0 262.309 1.919 20 10 CDCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCNC1=O ZINC000830559808 728387745 /nfs/dbraw/zinc/38/77/45/728387745.db2.gz WAYVQAHDHUVZRX-LBPRGKRZSA-N 0 0 288.347 1.023 20 10 CDCDRN CCNC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818049148 728409616 /nfs/dbraw/zinc/40/96/16/728409616.db2.gz VVUWDGDWOXALSI-GFCCVEGCSA-N 0 0 277.368 1.841 20 10 CDCDRN CC(=O)C(=O)COC(=O)COc1ccccc1C ZINC000808489713 728436680 /nfs/dbraw/zinc/43/66/80/728436680.db2.gz XYBFBKHUPWSBKP-UHFFFAOYSA-N 0 0 250.250 1.075 20 10 CDCDRN C[C@@H](OC(=O)c1cccc(O)c1O)C(=O)NC1CCCC1 ZINC000776281745 728438350 /nfs/dbraw/zinc/43/83/50/728438350.db2.gz JOTCUVHWCAPDOH-SECBINFHSA-N 0 0 293.319 1.702 20 10 CDCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(F)nc1 ZINC000128723590 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ZINC000272744258 365377609 /nfs/dbraw/zinc/37/76/09/365377609.db2.gz MQRRPPWIZVVADM-MRVPVSSYSA-N 0 0 253.298 1.155 20 10 CDCDRN COC[C@H](CNC(=O)NCc1ccc(N(C)C)cc1)OC ZINC000272975108 365461531 /nfs/dbraw/zinc/46/15/31/365461531.db2.gz NKTWJTNOZSPTOR-AWEZNQCLSA-N 0 0 295.383 1.213 20 10 CDCDRN O=C(C=Cc1cncs1)N1CCCc2n[nH]cc21 ZINC000282243951 367792570 /nfs/dbraw/zinc/79/25/70/367792570.db2.gz JENDZKQUHYVOFC-ONEGZZNKSA-N 0 0 260.322 1.859 20 10 CDCDRN CCc1cc(O)ccc1NS(=O)(=O)C[C@@H](C)OC ZINC000282250650 367796439 /nfs/dbraw/zinc/79/64/39/367796439.db2.gz RGBUCGXJMUYTDI-SECBINFHSA-N 0 0 273.354 1.731 20 10 CDCDRN Cc1ccc(C(=O)NC[C@H]2CCOC[C@@H]2C)c(O)c1O ZINC000287083273 369083695 /nfs/dbraw/zinc/08/36/95/369083695.db2.gz YIUAGKQGCUNCOC-WDEREUQCSA-N 0 0 279.336 1.809 20 10 CDCDRN O=C(NOCCC(F)(F)F)c1c(F)ccc(O)c1[O-] ZINC000295784662 371453304 /nfs/dbraw/zinc/45/33/04/371453304.db2.gz QZIXBHONANDBQN-UHFFFAOYSA-N 0 0 283.177 1.851 20 10 CDCDRN CCOC1CN(Cc2cc3c(cc2O)OCO3)C1 ZINC000297487931 371995198 /nfs/dbraw/zinc/99/51/98/371995198.db2.gz SXBBKYITDNBUMT-UHFFFAOYSA-N 0 0 251.282 1.342 20 10 CDCDRN C[C@H]1CN(C(=O)CSc2nccs2)C[C@H](C)O1 ZINC000298501260 372152350 /nfs/dbraw/zinc/15/23/50/372152350.db2.gz IVQWJJCCZMSSER-IUCAKERBSA-N 0 0 272.395 1.871 20 10 CDCDRN CC(=O)C1(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CC1 ZINC000293605413 378576474 /nfs/dbraw/zinc/57/64/74/378576474.db2.gz YFUUJNWTTIMYDZ-SECBINFHSA-N 0 0 277.320 1.514 20 10 CDCDRN CCC[C@@H](O)CNC(=O)c1c(F)ccc(O)c1O ZINC000295598382 378688847 /nfs/dbraw/zinc/68/88/47/378688847.db2.gz XYZBGYMOVYWZAE-SSDOTTSWSA-N 0 0 257.261 1.128 20 10 CDCDRN CN(C(=O)C=Cc1c[nH]cn1)c1ccc2c(c1)OCO2 ZINC000493518833 253482773 /nfs/dbraw/zinc/48/27/73/253482773.db2.gz GUMJKGFHJFVCMC-DJWKRKHSSA-N 0 0 271.276 1.815 20 10 CDCDRN COCCN(Cc1ccc(N(C)C)c(F)c1)[C@@H](C)C(N)=O ZINC000119917355 390859928 /nfs/dbraw/zinc/85/99/28/390859928.db2.gz XIMBEVMSYUIIQC-NSHDSACASA-N 0 0 297.374 1.214 20 10 CDCDRN C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCOC1 ZINC000120299452 390868009 /nfs/dbraw/zinc/86/80/09/390868009.db2.gz WXMVWTGFIQCAKC-MRXNPFEDSA-N 0 0 276.380 1.744 20 10 CDCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Cn1cccn1 ZINC000173203916 391103792 /nfs/dbraw/zinc/10/37/92/391103792.db2.gz QLGHKOHBASNKFC-UHFFFAOYSA-N 0 0 286.335 1.375 20 10 CDCDRN [O-]c1c(Cl)cccc1C[NH2+]CCCN1CCOCC1 ZINC000124647077 391221789 /nfs/dbraw/zinc/22/17/89/391221789.db2.gz SHIKTYAVYWGSML-UHFFFAOYSA-N 0 0 284.787 1.858 20 10 CDCDRN COc1cccc(CNC(=O)N[C@@H]2CCCOCC2)c1O ZINC000181772627 391227424 /nfs/dbraw/zinc/22/74/24/391227424.db2.gz DBTWNCNQEDAVCL-GFCCVEGCSA-N 0 0 294.351 1.769 20 10 CDCDRN Cc1ccc(C(=O)N(C)CCOCC2CC2)c(O)c1O ZINC000182590345 391237685 /nfs/dbraw/zinc/23/76/85/391237685.db2.gz VIWZOMIBJWJAON-UHFFFAOYSA-N 0 0 279.336 1.905 20 10 CDCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnn1C ZINC000183459458 391264606 /nfs/dbraw/zinc/26/46/06/391264606.db2.gz UYQQNSJVDFTFPK-VIFPVBQESA-N 0 0 275.308 1.192 20 10 CDCDRN Cc1ccc([C@H](C)NCc2ncn(C)n2)c(O)c1C ZINC000273505284 391326249 /nfs/dbraw/zinc/32/62/49/391326249.db2.gz QYLKLYHZWBSOAL-NSHDSACASA-N 0 0 260.341 1.988 20 10 CDCDRN COc1ccc(N2CCC[N@H+](CCC(=O)[O-])CC2)cc1 ZINC000237279976 260676387 /nfs/dbraw/zinc/67/63/87/260676387.db2.gz UNZDQVKGLNWPQC-UHFFFAOYSA-N 0 0 278.352 1.682 20 10 CDCDRN OCCN1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000154560744 261093086 /nfs/dbraw/zinc/09/30/86/261093086.db2.gz QJQWHJFKCCKDJI-UHFFFAOYSA-N 0 0 270.760 1.156 20 10 CDCDRN CCOC(=O)[C@H](NC(=O)Cc1ccc(N)cc1)[C@@H](C)CC ZINC000161504337 261249147 /nfs/dbraw/zinc/24/91/47/261249147.db2.gz XZGKONIBZRKRDC-XHDPSFHLSA-N 0 0 292.379 1.905 20 10 CDCDRN CCOC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181155861 261887680 /nfs/dbraw/zinc/88/76/80/261887680.db2.gz HTTNUBAZTXYBMW-BPJJOFIESA-N 0 0 291.347 1.996 20 10 CDCDRN Cc1noc(CCCC(=O)NCc2ccccc2O)n1 ZINC000299561340 263247377 /nfs/dbraw/zinc/24/73/77/263247377.db2.gz NNRQVUUGJOWWLZ-UHFFFAOYSA-N 0 0 275.308 1.723 20 10 CDCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1(C)COC1 ZINC000356037566 289412148 /nfs/dbraw/zinc/41/21/48/289412148.db2.gz KCGTXTRZEQUQNW-UHFFFAOYSA-N 0 0 276.336 1.515 20 10 CDCDRN COC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000276988430 292806993 /nfs/dbraw/zinc/80/69/93/292806993.db2.gz XCRDUVJADNAJFA-DTWKUNHWSA-N 0 0 275.295 1.718 20 10 CDCDRN C/C=C/C[C@@H](CO)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000186007853 327851583 /nfs/dbraw/zinc/85/15/83/327851583.db2.gz LICRMJVKMQDYTR-NNTXTVRGSA-N 0 0 291.395 1.879 20 10 CDCDRN CS[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000219065423 329144588 /nfs/dbraw/zinc/14/45/88/329144588.db2.gz AKXQTUPCAUHDLY-YGRLFVJLSA-N 0 0 267.394 1.824 20 10 CDCDRN Cc1c2ccccc2n(C)c1CNc1nccn2cnnc12 ZINC000359812887 328899540 /nfs/dbraw/zinc/89/95/40/328899540.db2.gz HNHOSKXFZKPVKM-UHFFFAOYSA-N 0 0 292.346 1.958 20 10 CDCDRN Oc1ccc(F)cc1CN1CCOC[C@H]1[C@H]1CCCO1 ZINC000377701301 329025726 /nfs/dbraw/zinc/02/57/26/329025726.db2.gz SOLJMDGYRJZDOK-DZGCQCFKSA-N 0 0 281.327 1.911 20 10 CDCDRN COC(=O)C[C@@H]1CN(Cc2ccccc2O)CCO1 ZINC000179576330 329209667 /nfs/dbraw/zinc/20/96/67/329209667.db2.gz WVQWXDLSQYHHCW-GFCCVEGCSA-N 0 0 265.309 1.156 20 10 CDCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000166375061 331306968 /nfs/dbraw/zinc/30/69/68/331306968.db2.gz IUIVJIVCBHJSRU-ZDUSSCGKSA-N 0 0 280.343 1.438 20 10 CDCDRN CCn1cc(-c2n[nH]cc2C(=O)N(C)c2ccn(C)n2)cn1 ZINC000548307171 334150163 /nfs/dbraw/zinc/15/01/63/334150163.db2.gz LUBYVEBVLFIPIG-UHFFFAOYSA-N 0 0 299.338 1.303 20 10 CDCDRN CN(C)C(=O)COC1CN(Cc2cc(Cl)ccc2O)C1 ZINC000839137186 1160149039 /nfs/dbraw/zinc/14/90/39/1160149039.db2.gz BRCZVYJJXIOUIS-UHFFFAOYSA-N 0 0 298.770 1.335 20 10 CDCDRN COc1ccccc1N(C)C(=O)c1ccoc1CC(N)=O ZINC000671662978 483310189 /nfs/dbraw/zinc/31/01/89/483310189.db2.gz GOASTQLUFPDTDO-UHFFFAOYSA-N 0 0 288.303 1.593 20 10 CDCDRN CC(=O)CSCC(=O)NCc1ccc(N(C)C)cc1 ZINC000081273331 519425596 /nfs/dbraw/zinc/42/55/96/519425596.db2.gz RGDDGXMXFAGMAL-UHFFFAOYSA-N 0 0 280.393 1.691 20 10 CDCDRN CC(=O)N1CCC[C@@H](C(=O)NCc2ccccc2O)C1 ZINC000299458905 519535254 /nfs/dbraw/zinc/53/52/54/519535254.db2.gz BKPBTZOMSLTYRP-CYBMUJFWSA-N 0 0 276.336 1.267 20 10 CDCDRN CCN(CC)C(=O)CN(C)C(=O)c1c(F)ccc(O)c1O ZINC000276732586 520470374 /nfs/dbraw/zinc/47/03/74/520470374.db2.gz TZKUKVASBXGVBT-UHFFFAOYSA-N 0 0 298.314 1.177 20 10 CDCDRN CCC[C@@H](O)CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000264888504 520802710 /nfs/dbraw/zinc/80/27/10/520802710.db2.gz WNRBCUUHWSRZFM-CQSZACIVSA-N 0 0 279.384 1.713 20 10 CDCDRN CCC(=O)N1CC[C@H](C(=O)N(C)Cc2ccccc2O)C1 ZINC000119604202 521140667 /nfs/dbraw/zinc/14/06/67/521140667.db2.gz RWOJFWBJOGCKID-ZDUSSCGKSA-N 0 0 290.363 1.609 20 10 CDCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)COCCOC ZINC000042035155 521318557 /nfs/dbraw/zinc/31/85/57/521318557.db2.gz MHGUSUQACPKGJL-UHFFFAOYSA-N 0 0 294.395 1.764 20 10 CDCDRN CCC(CC)[C@H](O)CNC(=O)c1c(F)ccc(O)c1O ZINC000276610384 521621611 /nfs/dbraw/zinc/62/16/11/521621611.db2.gz SNKXBVAZAFIPHC-LLVKDONJSA-N 0 0 285.315 1.764 20 10 CDCDRN CCNC(=O)[C@@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000127868776 521743735 /nfs/dbraw/zinc/74/37/35/521743735.db2.gz PAZHWBJHRDYYNZ-MRVPVSSYSA-N 0 0 256.733 1.660 20 10 CDCDRN COc1c([O-])c(C[NH2+][C@H](C)CF)ccc1[N+](=O)[O-] ZINC000290149086 521883431 /nfs/dbraw/zinc/88/34/31/521883431.db2.gz LAFSETJHNVZMFX-SSDOTTSWSA-N 0 0 258.249 1.757 20 10 CDCDRN COC[C@@H](NC(=O)NCc1ccccc1O)[C@@H]1CCCO1 ZINC000279555245 522332267 /nfs/dbraw/zinc/33/22/67/522332267.db2.gz RSBXQRVOWGCTRU-OCCSQVGLSA-N 0 0 294.351 1.385 20 10 CDCDRN COC(C)(C)CC(=O)NCc1ccc(O)c(O)c1 ZINC000279963145 522471563 /nfs/dbraw/zinc/47/15/63/522471563.db2.gz SZQKESGXICPOCS-UHFFFAOYSA-N 0 0 253.298 1.529 20 10 CDCDRN COC(=O)C1(C(=O)N(C)Cc2ccccc2O)CC1 ZINC000134893207 522808932 /nfs/dbraw/zinc/80/89/32/522808932.db2.gz FYDWNTHZBCWHCB-UHFFFAOYSA-N 0 0 263.293 1.304 20 10 CDCDRN CC[C@H](O)CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000291824825 522818306 /nfs/dbraw/zinc/81/83/06/522818306.db2.gz ZOSYTPFZOFOXIS-ZDUSSCGKSA-N 0 0 265.357 1.323 20 10 CDCDRN CN(Cc1ccccc1O)S(=O)(=O)C[C@@H]1CCOC1 ZINC000265858286 523384455 /nfs/dbraw/zinc/38/44/55/523384455.db2.gz ZYVRRUUCLMUDOU-LLVKDONJSA-N 0 0 285.365 1.190 20 10 CDCDRN COc1ccc(N2CCN(C(=O)c3cnccn3)CC2)cc1 ZINC000069158129 524421166 /nfs/dbraw/zinc/42/11/66/524421166.db2.gz FXOPMBXRRJFGGT-UHFFFAOYSA-N 0 0 298.346 1.448 20 10 CDCDRN C[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@H](C2CC2)O1 ZINC000280092177 524540918 /nfs/dbraw/zinc/54/09/18/524540918.db2.gz QVGFISPQMCZELC-TVQRCGJNSA-N 0 0 277.320 1.737 20 10 CDCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cnn(C)c1 ZINC000274903542 524892892 /nfs/dbraw/zinc/89/28/92/524892892.db2.gz HBGHXYZMYGAALT-JTQLQIEISA-N 0 0 289.335 1.121 20 10 CDCDRN Cc1cc(NC(=O)CN(C)c2ccc3c(c2)OCO3)no1 ZINC000121386213 525134460 /nfs/dbraw/zinc/13/44/60/525134460.db2.gz OMDRYJRBIFXPNS-UHFFFAOYSA-N 0 0 289.291 1.787 20 10 CDCDRN C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1[O-] ZINC000062747894 525418417 /nfs/dbraw/zinc/41/84/17/525418417.db2.gz IRORQYXCKDAXTK-VHSXEESVSA-N 0 0 287.356 1.617 20 10 CDCDRN C[C@H](O)CCN(C)C(=O)c1c(F)ccc(O)c1O ZINC000276512734 525720575 /nfs/dbraw/zinc/72/05/75/525720575.db2.gz FCYRJSUQJXEDLQ-ZETCQYMHSA-N 0 0 257.261 1.080 20 10 CDCDRN C[C@@H](O)CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000047675146 525803801 /nfs/dbraw/zinc/80/38/01/525803801.db2.gz OEIYWVOPNXVDPY-GFCCVEGCSA-N 0 0 277.368 1.467 20 10 CDCDRN CS[C@@H](CO)[C@H](C)NC(=O)c1c(F)ccc(O)c1O ZINC000276590351 525817339 /nfs/dbraw/zinc/81/73/39/525817339.db2.gz MZMSBXGSBWMSGW-RCOVLWMOSA-N 0 0 289.328 1.079 20 10 CDCDRN COc1cccc(CN2CCn3cncc3C2)c1O ZINC000291695964 525954785 /nfs/dbraw/zinc/95/47/85/525954785.db2.gz YLXOHZDGADYYME-UHFFFAOYSA-N 0 0 259.309 1.613 20 10 CDCDRN COc1cccc(CNC(=O)CC2(OC)CCC2)c1O ZINC000276678442 525965602 /nfs/dbraw/zinc/96/56/02/525965602.db2.gz FPBKEYRPZGACSD-UHFFFAOYSA-N 0 0 279.336 1.976 20 10 CDCDRN Cc1ccc(C(=O)N[C@H](CO)C2CCCC2)c(O)c1O ZINC000292093186 526212287 /nfs/dbraw/zinc/21/22/87/526212287.db2.gz YLLMTFNLBHHRMG-GFCCVEGCSA-N 0 0 279.336 1.687 20 10 CDCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1CSCCS1 ZINC000272330074 526686300 /nfs/dbraw/zinc/68/63/00/526686300.db2.gz MHTQBZWVOANGAD-LLVKDONJSA-N 0 0 285.390 1.563 20 10 CDCDRN O=C(NCc1ccccc1O)[C@@H]1OC[C@H]2COCC[C@H]21 ZINC000290323052 526755750 /nfs/dbraw/zinc/75/57/50/526755750.db2.gz GURVKQBVTAUOIS-YRGRVCCFSA-N 0 0 277.320 1.060 20 10 CDCDRN O=C(c1cccc(O)c1O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000280398183 526771475 /nfs/dbraw/zinc/77/14/75/526771475.db2.gz GEDQLOKSVJYVEF-SNVBAGLBSA-N 0 0 287.319 1.841 20 10 CDCDRN O=C(CNC(=O)c1cccc(O)c1O)OC1CCCCC1 ZINC000279302310 526862547 /nfs/dbraw/zinc/86/25/47/526862547.db2.gz NNBZXSAYRVTCMJ-UHFFFAOYSA-N 0 0 293.319 1.704 20 10 CDCDRN O=C(CSC1CC1)NCCc1ccc(O)c(O)c1 ZINC000295600555 527013145 /nfs/dbraw/zinc/01/31/45/527013145.db2.gz YBLFTKYEBJFNFL-UHFFFAOYSA-N 0 0 267.350 1.652 20 10 CDCDRN Nc1ccc(CCNC(=O)CC[C@H]2CCCO2)cc1 ZINC000087206640 527479041 /nfs/dbraw/zinc/47/90/41/527479041.db2.gz GNVWYWDVZNUPNI-CQSZACIVSA-N 0 0 262.353 1.887 20 10 CDCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCSC1 ZINC000272712111 527615583 /nfs/dbraw/zinc/61/55/83/527615583.db2.gz YCIURTIWYUSVBW-YWNRKNDBSA-N 0 0 265.334 1.733 20 10 CDCDRN Cc1ccc(C[N@H+]2CCN(C)C[C@H](C(=O)[O-])C2)c(O)c1 ZINC001600413617 1174467727 /nfs/dbraw/zinc/46/77/27/1174467727.db2.gz MVFXWMLZRVFUHN-ZDUSSCGKSA-N 0 0 278.352 1.149 20 10 CDCDRN Cc1cccc(C[N@@H+]2CCO[C@@H](CC(=O)[O-])C2)c1O ZINC001600533202 1174498602 /nfs/dbraw/zinc/49/86/02/1174498602.db2.gz KIMDOEAUOBKJRA-LBPRGKRZSA-N 0 0 265.309 1.376 20 10 CDCDRN C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])Cn1cccn1 ZINC000725847459 574444113 /nfs/dbraw/zinc/44/41/13/574444113.db2.gz LZVXKMQBFBTWGU-LLVKDONJSA-N 0 0 290.323 1.923 20 10 CDCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc[n+]([O-])cc2)c1 ZINC000728983774 574681294 /nfs/dbraw/zinc/68/12/94/574681294.db2.gz FXHOHGFKCZVVND-JTQLQIEISA-N 0 0 288.303 1.525 20 10 CDCDRN C[C@H]([C@H](C)NC(=O)C1=CC(=O)CS1)N1CCOCC1 ZINC000732288369 575087144 /nfs/dbraw/zinc/08/71/44/575087144.db2.gz QYVOEBKCQHQGBE-VHSXEESVSA-N 0 0 284.381 1.293 20 10 CDCDRN 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ZINC000894672974 619010687 /nfs/dbraw/zinc/01/06/87/619010687.db2.gz YWEAPRMLPOUVAE-UHFFFAOYSA-N 0 0 261.268 1.111 20 10 CDCDRN CCOc1ccc(CN2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)c(O)c1 ZINC000895113669 619303550 /nfs/dbraw/zinc/30/35/50/619303550.db2.gz JTMZYKJCHXJYDT-GRYCIOLGSA-N 0 0 292.379 1.888 20 10 CDCDRN C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000895326470 619563805 /nfs/dbraw/zinc/56/38/05/619563805.db2.gz YCMHYRHZKKQUQL-RNCFNFMXSA-N 0 0 289.734 1.502 20 10 CDCDRN CCOC(=O)CCNC(=O)Nc1ccc(N)cc1 ZINC000041681707 621683205 /nfs/dbraw/zinc/68/32/05/621683205.db2.gz NDUJFAOOUJEIQO-UHFFFAOYSA-N 0 0 251.286 1.344 20 10 CDCDRN C[C@H]1CCC(=O)CN1C(=O)c1c(F)ccc(O)c1O ZINC000900709951 623390792 /nfs/dbraw/zinc/39/07/92/623390792.db2.gz CICAPXDARXVFOX-ZETCQYMHSA-N 0 0 267.256 1.431 20 10 CDCDRN CCOC(=O)/C(=C\c1cncn1CC)c1nccn1C ZINC000901464921 624281331 /nfs/dbraw/zinc/28/13/31/624281331.db2.gz PZKMJETZPDAYER-WQLSENKSSA-N 0 0 274.324 1.740 20 10 CDCDRN CCc1noc(C(=O)NCc2ccc(N(C)C)cc2)n1 ZINC000902611270 625020003 /nfs/dbraw/zinc/02/00/03/625020003.db2.gz AOHXAJVTVUVTKP-UHFFFAOYSA-N 0 0 274.324 1.628 20 10 CDCDRN CN(C)c1ccc(CN(C(=O)CCC(N)=O)C2CC2)cc1 ZINC000905960442 627077670 /nfs/dbraw/zinc/07/76/70/627077670.db2.gz XZPHWRZSTPUBTB-UHFFFAOYSA-N 0 0 289.379 1.509 20 10 CDCDRN COc1ccc(O)c(CNC(=O)[C@H]2CCCC(=O)N2C)c1 ZINC000907060431 627514458 /nfs/dbraw/zinc/51/44/58/627514458.db2.gz NVWGNBUFMSAKKJ-GFCCVEGCSA-N 0 0 292.335 1.028 20 10 CDCDRN O=C(NCc1ccc(O)cc1O)C1SCCS1 ZINC000910950498 629114771 /nfs/dbraw/zinc/11/47/71/629114771.db2.gz WIHUHYAYUKPZFS-UHFFFAOYSA-N 0 0 271.363 1.520 20 10 CDCDRN O=C(Cn1cc(C2CC2)cn1)NCc1ccc(O)cc1O ZINC000910943516 629125111 /nfs/dbraw/zinc/12/51/11/629125111.db2.gz NHYOAGFLUXCJSR-UHFFFAOYSA-N 0 0 287.319 1.488 20 10 CDCDRN C[C@@H](NC(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12)c1ccccc1O ZINC000913763690 630747912 /nfs/dbraw/zinc/74/79/12/630747912.db2.gz OICHAQZJKUVSNW-DURYJLSESA-N 0 0 259.305 1.795 20 10 CDCDRN O=C(CSc1nccs1)NCCCN1CCCC1=O ZINC000916094010 631906758 /nfs/dbraw/zinc/90/67/58/631906758.db2.gz FGCIABVNUOZBGV-UHFFFAOYSA-N 0 0 299.421 1.364 20 10 CDCDRN COC[C@H](C)NC(=S)N(C)Cc1ccccc1O ZINC000917581825 632247531 /nfs/dbraw/zinc/24/75/31/632247531.db2.gz ZBYZPEOXVWGFPB-JTQLQIEISA-N 0 0 268.382 1.733 20 10 CDCDRN OC[C@H]1C[C@@H](O)CN1c1ccc(OCC(F)(F)F)cc1 ZINC001170287637 1162333100 /nfs/dbraw/zinc/33/31/00/1162333100.db2.gz ROYNNYVIQLTWDC-GHMZBOCLSA-N 0 0 291.269 1.560 20 10 CDCDRN COc1cnc(NCC(=O)c2ccc(O)c(O)c2)cn1 ZINC001170314941 1162335067 /nfs/dbraw/zinc/33/50/67/1162335067.db2.gz MGTFEGSFYHIFEH-UHFFFAOYSA-N 0 0 275.264 1.191 20 10 CDCDRN C[C@@H]1[C@@H](C(=O)[O-])CC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC001604638145 1163262260 /nfs/dbraw/zinc/26/22/60/1163262260.db2.gz VAFRBKPOMFBJON-DVYJOKAKSA-N 0 0 293.319 1.113 20 10 CDCDRN Cc1cc(-c2nn[nH]n2)nc(N(C)Cc2ccccc2O)n1 ZINC001605555484 1163608031 /nfs/dbraw/zinc/60/80/31/1163608031.db2.gz HHCLSKHBFURPCQ-UHFFFAOYSA-N 0 0 297.322 1.307 20 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292.379 1.769 20 10 CDCDRN COc1ccc(CNC(=O)Cc2cncc(O)c2)c(O)c1 ZINC001155574865 1167237010 /nfs/dbraw/zinc/23/70/10/1167237010.db2.gz PJJKOMVXGCCORU-UHFFFAOYSA-N 0 0 288.303 1.360 20 10 CDCDRN COc1ccc(CNC(=O)/C=C\c2cn(C)cn2)c(O)c1 ZINC001155575846 1167237529 /nfs/dbraw/zinc/23/75/29/1167237529.db2.gz ZIOADDANXFEZMV-XQRVVYSFSA-N 0 0 287.319 1.464 20 10 CDCDRN O=C(NCc1ccccc1O)c1cccc(-c2nn[nH]n2)c1 ZINC001593145270 1174027229 /nfs/dbraw/zinc/02/72/29/1174027229.db2.gz IMKCLMZVMXEURD-UHFFFAOYSA-N 0 0 295.302 1.502 20 10 CDCDRN Oc1c(F)cc(F)cc1CNc1n[nH]cc1-c1nn[nH]n1 ZINC001593538871 1174110288 /nfs/dbraw/zinc/11/02/88/1174110288.db2.gz LKRNBIJSUDKZBI-UHFFFAOYSA-N 0 0 293.237 1.186 20 10 CDCDRN O=C([O-])c1cn([C@@H]2CC[N@@H+](Cc3ccccc3O)C2)nn1 ZINC001602498621 1175261025 /nfs/dbraw/zinc/26/10/25/1175261025.db2.gz DIVWWHJNLGLVAT-LLVKDONJSA-N 0 0 288.307 1.129 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000383682499 1187267367 /nfs/dbraw/zinc/26/73/67/1187267367.db2.gz ZQYAMBLMIUESHP-LLVKDONJSA-N 0 0 297.376 1.175 20 10 CDCDRN Cc1cc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)ccc1N(C)C ZINC000815106863 738408497 /nfs/dbraw/zinc/40/84/97/738408497.db2.gz BVXPWFLMJQGWAY-XHDPSFHLSA-N 0 0 275.396 1.675 20 10 CDCDRN COc1ccc(CNC(=O)Nc2ccncc2C)c(O)c1 ZINC000797639058 738408955 /nfs/dbraw/zinc/40/89/55/738408955.db2.gz FGHLORPCBNXJMU-UHFFFAOYSA-N 0 0 287.319 1.848 20 10 CDCDRN C[C@H]([NH2+]CCCn1cc(CO)nn1)c1c([O-])cccc1F ZINC000886612232 738420382 /nfs/dbraw/zinc/42/03/82/738420382.db2.gz GQOVSEBCNJKJDO-JTQLQIEISA-N 0 0 294.330 1.356 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)NC[C@H]1COC(C)(C)O1 ZINC000783273674 736462759 /nfs/dbraw/zinc/46/27/59/736462759.db2.gz DHISXEHPJUQDSY-LBPRGKRZSA-N 0 0 294.351 1.685 20 10 CDCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2CCOC2)c1 ZINC000858315934 736510881 /nfs/dbraw/zinc/51/08/81/736510881.db2.gz ZQINEBQPZCDNRO-NSHDSACASA-N 0 0 250.298 1.289 20 10 CDCDRN C[C@H](C(=O)N(C)Cc1ccccc1O)[C@H](C)S(C)(=O)=O ZINC000788284193 736535339 /nfs/dbraw/zinc/53/53/39/736535339.db2.gz ULUSUGJMVDOVHR-QWRGUYRKSA-N 0 0 299.392 1.420 20 10 CDCDRN COc1c([O-])c(C[NH2+]C[C@@](C)(O)C(C)C)ccc1[N+](=O)[O-] ZINC000775015762 736573323 /nfs/dbraw/zinc/57/33/23/736573323.db2.gz XGNUMAQIZVKKBB-CQSZACIVSA-N 0 0 298.339 1.806 20 10 CDCDRN COC(=O)C[C@H](C)C(=O)N[C@H](C)c1ccccc1O ZINC000827937312 738460610 /nfs/dbraw/zinc/46/06/10/738460610.db2.gz RLDAZOWIPZDKQQ-VHSXEESVSA-N 0 0 265.309 1.769 20 10 CDCDRN CCO[C@@H]1C[C@H](NC(=O)C2=CC(=O)CS2)[C@H]1OC ZINC000776227245 736663409 /nfs/dbraw/zinc/66/34/09/736663409.db2.gz JSRQVOYVIHZQET-IQJOONFLSA-N 0 0 271.338 1.376 20 10 CDCDRN C[C@@H]([NH2+]C[C@@H]1COCCN1)c1cc(F)cc(F)c1[O-] ZINC000863544674 736666875 /nfs/dbraw/zinc/66/68/75/736666875.db2.gz BEENQJCWRIRBDK-PSASIEDQSA-N 0 0 272.295 1.309 20 10 CDCDRN Cc1cc(CN2CCc3nn[nH]c3C2)ccc1N(C)C ZINC000815100808 736689578 /nfs/dbraw/zinc/68/95/78/736689578.db2.gz VFOXGJFHKUYJAF-UHFFFAOYSA-N 0 0 271.368 1.737 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)c1cccc(C(N)=O)n1 ZINC000782010355 736787502 /nfs/dbraw/zinc/78/75/02/736787502.db2.gz CMWXITQOBYHLHA-UHFFFAOYSA-N 0 0 285.303 1.158 20 10 CDCDRN CN(C)c1ccc(CNC(=O)[C@@](C)(O)C2CCC2)cc1 ZINC000813375278 736702585 /nfs/dbraw/zinc/70/25/85/736702585.db2.gz PXBKJJVPLBCSOW-INIZCTEOSA-N 0 0 276.380 1.920 20 10 CDCDRN Cc1ccc(CN[C@H](C)c2nnnn2C2CC2)c(O)c1 ZINC000877473570 736718451 /nfs/dbraw/zinc/71/84/51/736718451.db2.gz JZIWTASUUOAISX-SNVBAGLBSA-N 0 0 273.340 1.873 20 10 CDCDRN CC(C)NC(=O)[C@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000840546177 736746553 /nfs/dbraw/zinc/74/65/53/736746553.db2.gz DCYSNUSZGKFQHD-BXKUYDPTSA-N 0 0 292.335 1.140 20 10 CDCDRN CCCN(Cc1ccccc1O)C(=O)CCc1cn[nH]n1 ZINC000866601465 1164797469 /nfs/dbraw/zinc/79/74/69/1164797469.db2.gz NEYJPTOARSKUBE-UHFFFAOYSA-N 0 0 288.351 1.882 20 10 CDCDRN COC(=O)C(C)(C)NCc1ccc(N2CCOCC2)cc1 ZINC000037085151 736843239 /nfs/dbraw/zinc/84/32/39/736843239.db2.gz ICWUEOUYMZGLDG-UHFFFAOYSA-N 0 0 292.379 1.564 20 10 CDCDRN CCN(CC)c1ccc(CNC(=O)C[C@@H]2CC(=O)N2)cc1 ZINC000822606896 736925287 /nfs/dbraw/zinc/92/52/87/736925287.db2.gz BTDWAFRCSXOUKG-CYBMUJFWSA-N 0 0 289.379 1.428 20 10 CDCDRN C/C=C/C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000870163435 736958132 /nfs/dbraw/zinc/95/81/32/736958132.db2.gz XYHXEEXENXFNJW-SNAWJCMRSA-N 0 0 290.363 1.929 20 10 CDCDRN COCCOCCC(=O)NCc1cc(C)ccc1O ZINC000862758690 737058878 /nfs/dbraw/zinc/05/88/78/737058878.db2.gz HLHVVBSDRZGSJT-UHFFFAOYSA-N 0 0 267.325 1.370 20 10 CDCDRN CCCCn1nnnc1CN(C)c1ccc(N)cc1 ZINC000702093017 737089534 /nfs/dbraw/zinc/08/95/34/737089534.db2.gz WSCKWZWFUDSGDQ-UHFFFAOYSA-N 0 0 260.345 1.692 20 10 CDCDRN COc1cc(N(C)C[C@@H]2CCC(=O)N2)cc(OC)c1OC ZINC000844300162 737230234 /nfs/dbraw/zinc/23/02/34/737230234.db2.gz MTWKONSMDPDQDU-JTQLQIEISA-N 0 0 294.351 1.427 20 10 CDCDRN CCN(CC(=O)NC)Cc1cc(Cl)cc(OC)c1O ZINC000228605524 737202519 /nfs/dbraw/zinc/20/25/19/737202519.db2.gz CUSUEIWZCDUBFI-UHFFFAOYSA-N 0 0 286.759 1.622 20 10 CDCDRN CCn1nncc1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883184614 737232146 /nfs/dbraw/zinc/23/21/46/737232146.db2.gz AKZQCJIPUSCUDU-UHFFFAOYSA-N 0 0 268.267 1.572 20 10 CDCDRN NC(=O)C[N@H+](Cc1cc(F)cc(F)c1[O-])C1CCCC1 ZINC000708433582 737211702 /nfs/dbraw/zinc/21/17/02/737211702.db2.gz MOLZEEUACPLMCN-UHFFFAOYSA-N 0 0 284.306 1.900 20 10 CDCDRN CC[C@@H](CO)C(=O)NCc1cc(OC)ccc1O ZINC000779813111 737216711 /nfs/dbraw/zinc/21/67/11/737216711.db2.gz QJKFHUFKXQBETE-VIFPVBQESA-N 0 0 253.298 1.036 20 10 CDCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCn1cncn1 ZINC000708519721 737224225 /nfs/dbraw/zinc/22/42/25/737224225.db2.gz OMYFCCQYJLBPOS-UHFFFAOYSA-N 0 0 254.240 1.052 20 10 CDCDRN Cc1c(CC(=O)NCCc2ccc(N)cc2)cnn1C ZINC000876527664 738485113 /nfs/dbraw/zinc/48/51/13/738485113.db2.gz JRBQOZIYMIYOAZ-UHFFFAOYSA-N 0 0 272.352 1.212 20 10 CDCDRN CC(=O)NCC(C)(C)C(=O)N(C)c1ccc(N)cc1 ZINC000877075120 737312244 /nfs/dbraw/zinc/31/22/44/737312244.db2.gz ZMXBVTWTSNIMDY-UHFFFAOYSA-N 0 0 263.341 1.394 20 10 CDCDRN 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C[C@@H]([NH2+]CCN1CCC(CO)CC1)c1c([O-])cccc1F ZINC001337585968 961295294 /nfs/dbraw/zinc/29/52/94/961295294.db2.gz OINWSSMYUXFJRM-GFCCVEGCSA-N 0 0 296.386 1.886 20 10 CDCDRN O=C([O-])[C@@H](F)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001339254209 962270500 /nfs/dbraw/zinc/27/05/00/962270500.db2.gz KVGDEKSHXLGLGK-ZDUSSCGKSA-N 0 0 282.315 1.036 20 10 CDCDRN CNC(=O)c1cccc(C(=O)N(C)Cc2ccccc2O)n1 ZINC001340448256 962942359 /nfs/dbraw/zinc/94/23/59/962942359.db2.gz XSIACYUQUJBVSQ-UHFFFAOYSA-N 0 0 299.330 1.419 20 10 CDCDRN CCC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C(=O)[O-] ZINC001345196827 964630773 /nfs/dbraw/zinc/63/07/73/964630773.db2.gz WRXZJXWLKALOHL-OAHLLOKOSA-N 0 0 292.379 1.866 20 10 CDCDRN COC(=O)[C@H]1CCC[C@@H](C(=O)NCc2ccc(N)cc2)C1 ZINC001346209424 964987248 /nfs/dbraw/zinc/98/72/48/964987248.db2.gz JESIVLJDPYCVES-OLZOCXBDSA-N 0 0 290.363 1.864 20 10 CDCDRN CO[C@@H]1COCC[C@H]1CNC(=O)NCc1ccc(N)cc1 ZINC001346648282 965195332 /nfs/dbraw/zinc/19/53/32/965195332.db2.gz MGHSHSCWIMCPJD-GXTWGEPZSA-N 0 0 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ZINC000282670981 367984298 /nfs/dbraw/zinc/98/42/98/367984298.db2.gz HOWPSKOOELYDLE-GFCCVEGCSA-N 0 0 299.392 1.410 20 10 CDCDRN COc1c([O-])c(C[NH2+]CCC2(O)CCC2)ccc1[N+](=O)[O-] ZINC000284987292 368568777 /nfs/dbraw/zinc/56/87/77/368568777.db2.gz IXMUNFRHWSHFKB-UHFFFAOYSA-N 0 0 296.323 1.704 20 10 CDCDRN CC[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccc(F)cc1[O-] ZINC000286062707 368690537 /nfs/dbraw/zinc/69/05/37/368690537.db2.gz LMTTXLQBDMWDEC-PWSUYJOCSA-N 0 0 266.316 1.803 20 10 CDCDRN CC[C@@H]([NH2+][C@@H](CCO)COC)c1ccc(F)cc1[O-] ZINC000286089464 368693902 /nfs/dbraw/zinc/69/39/02/368693902.db2.gz MQKZYRUPTPFZMC-WCQYABFASA-N 0 0 271.332 1.969 20 10 CDCDRN COC(=O)C(C)(C)CS(=O)(=O)Nc1ccc(O)cc1 ZINC000288497734 369458631 /nfs/dbraw/zinc/45/86/31/369458631.db2.gz UCPWFJJXZYKWPJ-UHFFFAOYSA-N 0 0 287.337 1.333 20 10 CDCDRN C[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)CN1CCOCC1 ZINC000297540414 372000725 /nfs/dbraw/zinc/00/07/25/372000725.db2.gz FBCUDQCWBSYTNT-DZGCQCFKSA-N 0 0 290.407 1.937 20 10 CDCDRN C[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000295848959 378709526 /nfs/dbraw/zinc/70/95/26/378709526.db2.gz DTRYDYYKFZMENX-FPMFFAJLSA-N 0 0 294.370 1.836 20 10 CDCDRN CCOC[C@H](O)CSc1ncc(C(=O)OC)s1 ZINC000296369351 378727882 /nfs/dbraw/zinc/72/78/82/378727882.db2.gz VPKRYQHVNDHTHP-ZETCQYMHSA-N 0 0 277.367 1.419 20 10 CDCDRN COCCc1noc(CN(C)Cc2ccccc2O)n1 ZINC000109769763 390648835 /nfs/dbraw/zinc/64/88/35/390648835.db2.gz QJSJJSKXDCUGFK-UHFFFAOYSA-N 0 0 277.324 1.596 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)c1n[nH]c2c1CCC2 ZINC000119993903 390862284 /nfs/dbraw/zinc/86/22/84/390862284.db2.gz FGYMTVGSHOWVIJ-UHFFFAOYSA-N 0 0 271.320 1.876 20 10 CDCDRN CCc1cc(C(=O)NCCc2ccc(O)c(O)c2)[nH]n1 ZINC000122039138 390896051 /nfs/dbraw/zinc/89/60/51/390896051.db2.gz UWJXHTFODFYSGD-UHFFFAOYSA-N 0 0 275.308 1.356 20 10 CDCDRN COc1ccc(N(C)CC(=O)N2CCCC2)c(OC)c1 ZINC000131834997 390929895 /nfs/dbraw/zinc/92/98/95/390929895.db2.gz DXXAYUDDVHMMJY-UHFFFAOYSA-N 0 0 278.352 1.762 20 10 CDCDRN 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CN1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CC1=O ZINC000271914838 371083649 /nfs/dbraw/zinc/08/36/49/371083649.db2.gz YODZNMINTJCBRT-VIFPVBQESA-N 0 0 254.717 1.366 20 10 CDCDRN CN(C)C(=O)O[C@H]1CCN(C(=O)c2cccc(O)c2O)C1 ZINC000295510240 371317967 /nfs/dbraw/zinc/31/79/67/371317967.db2.gz PVPMKMAQIYFEAE-VIFPVBQESA-N 0 0 294.307 1.011 20 10 CDCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CSCN2)cc1F ZINC000166462672 261389636 /nfs/dbraw/zinc/38/96/36/261389636.db2.gz WPUTURFJWSHKHF-NSHDSACASA-N 0 0 283.372 1.170 20 10 CDCDRN CCOc1ccc(N(CC)C[C@H](O)COCCOC)cc1 ZINC000295663792 378692170 /nfs/dbraw/zinc/69/21/70/378692170.db2.gz IOPLRSSVZMQNHQ-HNNXBMFYSA-N 0 0 297.395 1.936 20 10 CDCDRN CC1(C)[C@H](O)C[C@@H]1NC(=O)c1c(F)ccc(O)c1O ZINC000295759617 378696482 /nfs/dbraw/zinc/69/64/82/378696482.db2.gz OUKXLSRVWAAJKI-DTWKUNHWSA-N 0 0 269.272 1.126 20 10 CDCDRN COCCOC[C@@H](O)CN(C)c1ccc(OC)c(F)c1 ZINC000296682846 378742879 /nfs/dbraw/zinc/74/28/79/378742879.db2.gz BRBMGMFYKGTSAJ-LBPRGKRZSA-N 0 0 287.331 1.294 20 10 CDCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CC[C@@H](CO)C1 ZINC000295810793 378709827 /nfs/dbraw/zinc/70/98/27/378709827.db2.gz BOHPFWGVMZPECU-ZBWCZXCSSA-N 0 0 277.320 1.388 20 10 CDCDRN CONC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000108772687 390619262 /nfs/dbraw/zinc/61/92/62/390619262.db2.gz WAMGNHBMRNFXIK-QPJJXVBHSA-N 0 0 262.309 1.214 20 10 CDCDRN CN(CC(=O)NC[C@H]1CCCO1)c1ccc2c(c1)OCO2 ZINC000121279857 390882634 /nfs/dbraw/zinc/88/26/34/390882634.db2.gz RUQWNTPLNUTMSM-GFCCVEGCSA-N 0 0 292.335 1.147 20 10 CDCDRN Cc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)n[nH]1 ZINC000173208140 391103727 /nfs/dbraw/zinc/10/37/27/391103727.db2.gz OJTCNAREDWLBDG-UHFFFAOYSA-N 0 0 286.335 1.823 20 10 CDCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)NCC(F)F ZINC000174540896 391123886 /nfs/dbraw/zinc/12/38/86/391123886.db2.gz OMCTUVZRBKAKQT-ZZXKWVIFSA-N 0 0 296.317 1.918 20 10 CDCDRN C[C@@H](C[S@@](C)=O)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000182417465 391235134 /nfs/dbraw/zinc/23/51/34/391235134.db2.gz ZQJJCNSAWUAQJS-PRWKNARSSA-N 0 0 297.424 1.319 20 10 CDCDRN C[C@](O)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F ZINC000270460550 391275085 /nfs/dbraw/zinc/27/50/85/391275085.db2.gz FMLAYVRLEXDVRV-JTQLQIEISA-N 0 0 294.229 1.703 20 10 CDCDRN COC(=O)[C@@H](CC(C)C)NC(=O)Cc1ccc(N)cc1 ZINC000037019566 172882818 /nfs/dbraw/zinc/88/28/18/172882818.db2.gz UBSMZDVCGIMFKR-CYBMUJFWSA-N 0 0 278.352 1.515 20 10 CDCDRN Nc1ccc(NC(=O)Cn2cc(Br)cn2)cc1 ZINC000038054005 174065971 /nfs/dbraw/zinc/06/59/71/174065971.db2.gz CFIZMQZBWJFBFW-UHFFFAOYSA-N 0 0 295.140 1.867 20 10 CDCDRN CC[NH+](CC)[C@H]1CCN(C(=O)c2cccc(O)c2O)C1 ZINC000126403102 260351528 /nfs/dbraw/zinc/35/15/28/260351528.db2.gz FWXKZWZZCDMCJP-NSHDSACASA-N 0 0 278.352 1.654 20 10 CDCDRN CN(C)c1ccc(CN(C)CCS(C)(=O)=O)cc1F ZINC000155160125 261098761 /nfs/dbraw/zinc/09/87/61/261098761.db2.gz MHKBDJXVMCRQDR-UHFFFAOYSA-N 0 0 288.388 1.368 20 10 CDCDRN C[C@H](CCO)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000158104117 261158663 /nfs/dbraw/zinc/15/86/63/261158663.db2.gz UOLZJKPJJWVSEO-GFCCVEGCSA-N 0 0 291.395 1.639 20 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Cc1cc(F)cc(CN2CC(N3CC[NH+](C)CC3)C2)c1O ZINC001238067329 945048068 /nfs/dbraw/zinc/04/80/68/945048068.db2.gz ODUIFNFEEKCEEN-UHFFFAOYSA-N 0 0 293.386 1.271 20 10 CDCDRN CCOC(=O)[C@H]1COCCN1Cc1cc(F)cc(C)c1O ZINC001238066685 945049210 /nfs/dbraw/zinc/04/92/10/945049210.db2.gz IVXTVJYARBAAAM-CYBMUJFWSA-N 0 0 297.326 1.604 20 10 CDCDRN O=c1cc(-c2ccc3ncnn3c2)ccn1CC1CC1 ZINC001240359516 945811241 /nfs/dbraw/zinc/81/12/41/945811241.db2.gz RWRBTNXYDZEUPV-UHFFFAOYSA-N 0 0 266.304 1.968 20 10 CDCDRN Cc1nc(S(=O)(=O)NCc2cccc(C)c2O)cn1C ZINC001260552388 945833988 /nfs/dbraw/zinc/83/39/88/945833988.db2.gz JNGHPIPANUQGQT-UHFFFAOYSA-N 0 0 295.364 1.221 20 10 CDCDRN COCCn1ccc2c1ncnc2-c1cnc2ccnn2c1 ZINC001240421984 945839475 /nfs/dbraw/zinc/83/94/75/945839475.db2.gz AEMVXEOJRCOCES-UHFFFAOYSA-N 0 0 294.318 1.787 20 10 CDCDRN Cn1ccc(-c2cncc(N3CCOCC3)c2)cc1=O ZINC001240989024 946131155 /nfs/dbraw/zinc/13/11/55/946131155.db2.gz MTMUSBZKEPKAME-UHFFFAOYSA-N 0 0 271.320 1.284 20 10 CDCDRN Cc1ccc(O)c(CNS(=O)(=O)N(C)C(C)C)c1 ZINC001261796723 946282630 /nfs/dbraw/zinc/28/26/30/946282630.db2.gz KQZYUMKIRGCFRU-UHFFFAOYSA-N 0 0 272.370 1.375 20 10 CDCDRN CN(CCc1cnccn1)C(=O)NCc1ccc(N)cc1 ZINC001262603839 946758724 /nfs/dbraw/zinc/75/87/24/946758724.db2.gz WVSHZFDKGNMSJR-UHFFFAOYSA-N 0 0 285.351 1.443 20 10 CDCDRN CC(C)(C)C[C@@H](O)CNC(=O)NCc1ccc(N)cc1 ZINC001262603780 946760041 /nfs/dbraw/zinc/76/00/41/946760041.db2.gz VAZVPSXDUJFLDN-CYBMUJFWSA-N 0 0 279.384 1.865 20 10 CDCDRN Oc1cccc(NC[C@H](O)COCc2ccco2)c1O ZINC001252646106 951536319 /nfs/dbraw/zinc/53/63/19/951536319.db2.gz SPMBZNNYUCANIL-JTQLQIEISA-N 0 0 279.292 1.680 20 10 CDCDRN Nc1ccc(CCNC(=O)N2CC[C@](O)(C3CC3)C2)cc1 ZINC001326132128 954229856 /nfs/dbraw/zinc/22/98/56/954229856.db2.gz HTHBKWFYIOGUJN-MRXNPFEDSA-N 0 0 289.379 1.368 20 10 CDCDRN CO[C@]1(C(=O)NCc2c(O)cccc2O)CCSC1 ZINC001304054153 956155630 /nfs/dbraw/zinc/15/56/30/956155630.db2.gz GXUIWEORFNKALL-CYBMUJFWSA-N 0 0 283.349 1.236 20 10 CDCDRN O=C(NCc1c(O)cccc1O)c1coc(C2CC2)n1 ZINC001304053641 956156525 /nfs/dbraw/zinc/15/65/25/956156525.db2.gz PVZBSOBPCDAECR-UHFFFAOYSA-N 0 0 274.276 1.893 20 10 CDCDRN [O-]c1c(C[N@@H+]2C[C@H](CO)[C@H](CCO)C2)ccc(F)c1F ZINC001308984246 956612710 /nfs/dbraw/zinc/61/27/10/956612710.db2.gz YELDLBQJTPXTLX-MWLCHTKSSA-N 0 0 287.306 1.093 20 10 CDCDRN CCCOc1ccc(C[NH2+][C@@H](CO)C(=O)[O-])cc1C ZINC001331998237 957391342 /nfs/dbraw/zinc/39/13/42/957391342.db2.gz KNQVOOXNXDGISJ-LBPRGKRZSA-N 0 0 267.325 1.319 20 10 CDCDRN O=C(Cn1c(=O)oc2ccccc21)NCc1ccccc1O ZINC001318095169 957910760 /nfs/dbraw/zinc/91/07/60/957910760.db2.gz PHRMGZZXNRONJT-UHFFFAOYSA-N 0 0 298.298 1.617 20 10 CDCDRN COc1nc(Cl)c(C=C2SC(=S)NC2=O)n1C ZINC001318372117 958049922 /nfs/dbraw/zinc/04/99/22/958049922.db2.gz HOZZXOPJDOOZAX-HYXAFXHYSA-N 0 0 289.769 1.571 20 10 CDCDRN COc1ccc(C[N@H+](C)CCCC(=O)[O-])c(O)c1OC ZINC001594092000 958354447 /nfs/dbraw/zinc/35/44/47/958354447.db2.gz GUILAOOACZUJQI-UHFFFAOYSA-N 0 0 283.324 1.706 20 10 CDCDRN COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)CC(=O)[O-])C2)cc1 ZINC001594101099 958433520 /nfs/dbraw/zinc/43/35/20/958433520.db2.gz FXMYQYBDDPNOQP-OLZOCXBDSA-N 0 0 292.379 1.974 20 10 CDCDRN COc1ccc(O)c([C@@H](C)[NH2+][C@H]2C[C@@H](C(=O)[O-])C2)c1 ZINC001594106508 958472013 /nfs/dbraw/zinc/47/20/13/958472013.db2.gz XCFYOTXATUEVJX-BBBLOLIVSA-N 0 0 265.309 1.915 20 10 CDCDRN C[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)C[C@H](CO)O1 ZINC001320642708 959289453 /nfs/dbraw/zinc/28/94/53/959289453.db2.gz GQVMYZDYFJBWIH-RHSMWYFYSA-N 0 0 290.407 1.868 20 10 CDCDRN C[C@@H](NC(=O)NCCc1cn[nH]c1)c1ccccc1O ZINC001335719411 959989722 /nfs/dbraw/zinc/98/97/22/959989722.db2.gz XUCCIRBVFMRVBD-SNVBAGLBSA-N 0 0 274.324 1.718 20 10 CDCDRN C[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)[C@H]1CO ZINC001335738260 959999650 /nfs/dbraw/zinc/99/96/50/959999650.db2.gz YALCHWFAGJZLOW-MFKMUULPSA-N 0 0 263.341 1.181 20 10 CDCDRN CCCNC(=O)[C@@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001336705868 960486169 /nfs/dbraw/zinc/48/61/69/960486169.db2.gz LLCXFCYBYRDYTJ-ONRRBMGISA-N 0 0 292.335 1.142 20 10 CDCDRN CO[C@@H]1CCC[C@@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC001337213418 961027340 /nfs/dbraw/zinc/02/73/40/961027340.db2.gz WDAJJADPFMJETI-ITDIGPHOSA-N 0 0 293.363 1.960 20 10 CDCDRN O=C(C[C@@H]1COC(=O)C1)Nc1c2nonc2ccc1Cl ZINC001324141981 961194529 /nfs/dbraw/zinc/19/45/29/961194529.db2.gz SJEMMKLKENBIOF-LURJTMIESA-N 0 0 295.682 1.768 20 10 CDCDRN C=CC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC001338390770 961775858 /nfs/dbraw/zinc/77/58/58/961775858.db2.gz XMPLEMBWSSHTGM-UHFFFAOYSA-N 0 0 289.379 1.119 20 10 CDCDRN C[C@H]1CC[N@H+](CCNC(=O)c2cccc(O)c2O)C1 ZINC001347824604 965712272 /nfs/dbraw/zinc/71/22/72/965712272.db2.gz BZDAKRNYGNMCQD-JTQLQIEISA-N 0 0 264.325 1.169 20 10 CDCDRN Cn1ccnc1CCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001349266016 966301777 /nfs/dbraw/zinc/30/17/77/966301777.db2.gz XHLXHLLVANXJLM-HYXAFXHYSA-N 0 0 287.319 1.203 20 10 CDCDRN CCc1cccc(CN2CC(NC(=O)OC)C2)c1O ZINC001349877390 966507483 /nfs/dbraw/zinc/50/74/83/966507483.db2.gz GHDWHLRPQZVCIR-UHFFFAOYSA-N 0 0 264.325 1.495 20 10 CDCDRN CCCOc1ccc(C[NH2+][C@H](CCO)C(=O)[O-])cc1C ZINC001350662115 966730085 /nfs/dbraw/zinc/73/00/85/966730085.db2.gz HDWLTUQGONCBDD-CYBMUJFWSA-N 0 0 281.352 1.709 20 10 CDCDRN C[C@H]1C[C@H](C(=O)NCc2cccc(O)c2O)CO1 ZINC001352657854 967408615 /nfs/dbraw/zinc/40/86/15/967408615.db2.gz NKDSJTRBIPFDFG-WPRPVWTQSA-N 0 0 251.282 1.139 20 10 CDCDRN Cc1cc(N(C)C)ccc1CNc1cc(=O)n(C)c(=O)[nH]1 ZINC001354109588 968484094 /nfs/dbraw/zinc/48/40/94/968484094.db2.gz IEQYNZXEBPTQSV-UHFFFAOYSA-N 0 0 288.351 1.472 20 10 CDCDRN CCN(CC(OC)OC)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001521902146 970376027 /nfs/dbraw/zinc/37/60/27/970376027.db2.gz GUWQRIMMLGNRJO-VURMDHGXSA-N 0 0 295.335 1.578 20 10 CDCDRN COC(=O)[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)[C@H](C)C1 ZINC001523309041 970677197 /nfs/dbraw/zinc/67/71/97/970677197.db2.gz QCJNAONHTYJIKI-DGCLKSJQSA-N 0 0 290.363 1.611 20 10 CDCDRN Cn1nc(C(=O)[O-])cc1C[NH2+]Cc1cc(Cl)ccc1O ZINC001605544682 973747561 /nfs/dbraw/zinc/74/75/61/973747561.db2.gz AIUBBEIMEDMURR-UHFFFAOYSA-N 0 0 295.726 1.767 20 10 CDCDRN CC[C@@H](CCO)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001595128103 979523832 /nfs/dbraw/zinc/52/38/32/979523832.db2.gz GTAGILISZWRZFH-KOLCDFICSA-N 0 0 267.325 1.902 20 10 CDCDRN C[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1cc(C(=O)[O-])ccc1O ZINC001593261111 994548486 /nfs/dbraw/zinc/54/84/86/994548486.db2.gz KOMNAEVPVYDKQV-RDDDGLTNSA-N 0 0 289.278 1.757 20 10 CDCDRN COc1cc(C)c(C[NH2+]CC(C)(C)C(=O)[O-])c(O)c1 ZINC001599390940 997033812 /nfs/dbraw/zinc/03/38/12/997033812.db2.gz CMIWCDDTXLQANX-UHFFFAOYSA-N 0 0 267.325 1.910 20 10 CDCDRN COC[C@@]1(C(=O)[O-])CCC[N@@H+]1Cc1cccc(C)c1O ZINC001599192765 1174325981 /nfs/dbraw/zinc/32/59/81/1174325981.db2.gz KNGYSKVUTKYOPC-OAHLLOKOSA-N 0 0 279.336 1.766 20 10 CDCDRN O=C(N[C@H]1c2ccccc2C[C@H]1O)c1cccc(O)c1O ZINC000126615664 342220652 /nfs/dbraw/zinc/22/06/52/342220652.db2.gz ACTFQBSOWMJVBM-KGLIPLIRSA-N 0 0 285.299 1.486 20 10 CDCDRN Nc1nc(Sc2nccs2)ncc1[N+](=O)[O-] ZINC000076268845 342320312 /nfs/dbraw/zinc/32/03/12/342320312.db2.gz QIRKGJXZNKDJJT-UHFFFAOYSA-N 0 0 255.284 1.575 20 10 CDCDRN CN(C)c1ccc(CNC(=O)NCc2cnn(C)c2)cc1 ZINC000053753812 347753800 /nfs/dbraw/zinc/75/38/00/347753800.db2.gz WXMOZHMEZLQANE-UHFFFAOYSA-N 0 0 287.367 1.486 20 10 CDCDRN Cc1cc(N(C)C(=O)/C=C\c2cnccn2)ccn1 ZINC000492636164 366175080 /nfs/dbraw/zinc/17/50/80/366175080.db2.gz VJAHHQDIPGVRET-ARJAWSKDSA-N 0 0 254.293 1.856 20 10 CDCDRN CO[C@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181033216 357305822 /nfs/dbraw/zinc/30/58/22/357305822.db2.gz ZMHMZWAIGDMUMM-PZBABLGHSA-N 0 0 277.320 1.748 20 10 CDCDRN COCCc1noc(CN(C)Cc2cc(F)ccc2O)n1 ZINC000180185475 357249161 /nfs/dbraw/zinc/24/91/61/357249161.db2.gz NKSPOEHCLZNNFO-UHFFFAOYSA-N 0 0 295.314 1.735 20 10 CDCDRN C[C@@H]1[C@H](C)N(Cc2cc(F)ccc2O)CCS1(=O)=O ZINC000180180165 357249376 /nfs/dbraw/zinc/24/93/76/357249376.db2.gz OMURDONDGLQQEI-VHSXEESVSA-N 0 0 287.356 1.539 20 10 CDCDRN C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCO1 ZINC000180614423 357277606 /nfs/dbraw/zinc/27/76/06/357277606.db2.gz RRPZKLWWUQSBTR-RXNUUUNCSA-N 0 0 263.293 1.358 20 10 CDCDRN CC(C)CN(CC(N)=O)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180632559 357279172 /nfs/dbraw/zinc/27/91/72/357279172.db2.gz KLLSJTVYNAGCRJ-GQCTYLIASA-N 0 0 292.335 1.081 20 10 CDCDRN CC(C)C[C@H](CO)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181259506 357328748 /nfs/dbraw/zinc/32/87/48/357328748.db2.gz HCQZMEIFMJFVIC-FVOPLDGLSA-N 0 0 279.336 1.634 20 10 CDCDRN Cc1ccc(C(=O)N2CC[C@@H](C)[C@@H]2CO)c(O)c1O ZINC000189512361 358020087 /nfs/dbraw/zinc/02/00/87/358020087.db2.gz GBGSOKDBRGJSBP-KCJUWKMLSA-N 0 0 265.309 1.249 20 10 CDCDRN COC(=O)[C@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000092643859 358558611 /nfs/dbraw/zinc/55/86/11/358558611.db2.gz PQHABFTUOKXTIO-LBPRGKRZSA-N 0 0 279.336 1.786 20 10 CDCDRN COC(=O)CCc1nc(CSc2nccs2)no1 ZINC000110143441 359095172 /nfs/dbraw/zinc/09/51/72/359095172.db2.gz GOURSRSDJMQMAF-UHFFFAOYSA-N 0 0 285.350 1.924 20 10 CDCDRN CC[C@@H](C)N(CC(=O)OC)C(=O)c1ccc(C)c(O)c1O ZINC000297032404 200067514 /nfs/dbraw/zinc/06/75/14/200067514.db2.gz VDOMVIDDQPWKOL-SNVBAGLBSA-N 0 0 295.335 1.820 20 10 CDCDRN CCOC(=O)C(C)(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000134547859 361616896 /nfs/dbraw/zinc/61/68/96/361616896.db2.gz VZMUGFIMQLSAHW-UHFFFAOYSA-N 0 0 292.379 1.958 20 10 CDCDRN CC(=O)N1CCCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000271048370 364891584 /nfs/dbraw/zinc/89/15/84/364891584.db2.gz SZFKEXMALOJIHD-UHFFFAOYSA-N 0 0 293.386 1.946 20 10 CDCDRN CC(C)[C@@H]1NC(=O)N(Cc2ccc(N(C)C)cc2)C1=O ZINC000272040768 365057334 /nfs/dbraw/zinc/05/73/34/365057334.db2.gz GFBCTPNTWPDNNA-ZDUSSCGKSA-N 0 0 275.352 1.829 20 10 CDCDRN CCCN(Cc1ccccc1O)C(=O)CCNC(N)=O ZINC000170732106 365097095 /nfs/dbraw/zinc/09/70/95/365097095.db2.gz PKEPMJWLNFKCFY-UHFFFAOYSA-N 0 0 279.340 1.189 20 10 CDCDRN CCC[C@](C)(O)CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272595715 365312324 /nfs/dbraw/zinc/31/23/24/365312324.db2.gz GMMRXJYXUDZYOF-ZKKXHLJNSA-N 0 0 279.336 1.778 20 10 CDCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H](O)C(F)(F)F ZINC000272603846 365314946 /nfs/dbraw/zinc/31/49/46/365314946.db2.gz HLMBVXQMONENRQ-XCRNYIDWSA-N 0 0 291.225 1.150 20 10 CDCDRN Cc1ccc(C(=O)NC2(C(N)=O)CCCCC2)c(O)c1O ZINC000272891565 365434116 /nfs/dbraw/zinc/43/41/16/365434116.db2.gz ZKLUDGFTVCGLEP-UHFFFAOYSA-N 0 0 292.335 1.324 20 10 CDCDRN CCCNC(=O)C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273387145 365491260 /nfs/dbraw/zinc/49/12/60/365491260.db2.gz JWBVUGRSIZPSEC-SNVBAGLBSA-N 0 0 294.351 1.356 20 10 CDCDRN CCN(CC)c1ccc(CNC(=O)c2cnnn2C)cc1 ZINC000281146043 367595219 /nfs/dbraw/zinc/59/52/19/367595219.db2.gz APSKMRQFWFHQBM-UHFFFAOYSA-N 0 0 287.367 1.591 20 10 CDCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1COCCO1 ZINC000282561776 367942565 /nfs/dbraw/zinc/94/25/65/367942565.db2.gz UHBBBSIRJFJNBY-HNNXBMFYSA-N 0 0 293.363 1.936 20 10 CDCDRN CCCOc1ccc(CN2C[C@H](F)C[C@H]2C(N)=O)c(O)c1 ZINC000284492920 368526478 /nfs/dbraw/zinc/52/64/78/368526478.db2.gz BYZGTMAHKCKHKS-YPMHNXCESA-N 0 0 296.342 1.579 20 10 CDCDRN CC(=O)N1CCCC[C@H]1C(=O)N(C)Cc1ccccc1O ZINC000285691909 368651541 /nfs/dbraw/zinc/65/15/41/368651541.db2.gz OGQVZRYFEHTNFW-AWEZNQCLSA-N 0 0 290.363 1.752 20 10 CDCDRN CC[C@@H]([NH2+]C[C@H](O)COC)c1ccc(F)cc1[O-] ZINC000286036571 368687187 /nfs/dbraw/zinc/68/71/87/368687187.db2.gz KIPDGGXJUWLPTO-CMPLNLGQSA-N 0 0 257.305 1.579 20 10 CDCDRN COC(=O)[C@H](C)N(C)Cc1ccc(N(C)C)cc1 ZINC000287804478 369315590 /nfs/dbraw/zinc/31/55/90/369315590.db2.gz JDSKWWXFWUQZNN-NSHDSACASA-N 0 0 250.342 1.746 20 10 CDCDRN COc1cccc(CN(C)Cc2nccn2C)c1O ZINC000134109364 369518055 /nfs/dbraw/zinc/51/80/55/369518055.db2.gz XPLJZTUBHNFZGL-UHFFFAOYSA-N 0 0 261.325 1.766 20 10 CDCDRN COC(=O)c1cnc(SCc2nnc(C)n2C)s1 ZINC000295304627 371204428 /nfs/dbraw/zinc/20/44/28/371204428.db2.gz MOQTVYARHIMGNL-UHFFFAOYSA-N 0 0 284.366 1.659 20 10 CDCDRN CC[C@@H](C)[C@@H](CNC(=O)c1cccc(O)c1O)OC ZINC000294239941 371357330 /nfs/dbraw/zinc/35/73/30/371357330.db2.gz PCXSXRBGGTUSQF-BXKDBHETSA-N 0 0 267.325 1.889 20 10 CDCDRN C[C@H]1CCN(Cc2ccc(N(C)C)cc2)CCS1(=O)=O ZINC000192048075 373576154 /nfs/dbraw/zinc/57/61/54/373576154.db2.gz KCIRTXNGBMVADG-ZDUSSCGKSA-N 0 0 296.436 1.762 20 10 CDCDRN Fc1cc(CNCc2ncc[nH]2)ccc1N1CCOCC1 ZINC000067693631 377216317 /nfs/dbraw/zinc/21/63/17/377216317.db2.gz UHNANFDWIFUGJV-UHFFFAOYSA-N 0 0 290.342 1.675 20 10 CDCDRN Cc1cc(CN2CCn3cnnc3C2)ccc1N(C)C ZINC000293093125 291892804 /nfs/dbraw/zinc/89/28/04/291892804.db2.gz NGGINXWNGXUEAU-UHFFFAOYSA-N 0 0 271.368 1.668 20 10 CDCDRN C[C@H](O)CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000119449548 390848616 /nfs/dbraw/zinc/84/86/16/390848616.db2.gz FFACPXCCZMURDU-LVDDQXARSA-N 0 0 290.363 1.033 20 10 CDCDRN C[C@@H]([NH2+]CCNC(=O)C1CC1)c1ccc(F)cc1[O-] ZINC000168733938 390936923 /nfs/dbraw/zinc/93/69/23/390936923.db2.gz MXJVAGRVMSRFIP-SECBINFHSA-N 0 0 266.316 1.708 20 10 CDCDRN CCc1nnsc1C(=O)NCc1ccccc1O ZINC000133761324 390937777 /nfs/dbraw/zinc/93/77/77/390937777.db2.gz DFCSYIKTNIOCGM-UHFFFAOYSA-N 0 0 263.322 1.736 20 10 CDCDRN COc1ccc(N(C)CC(=O)N2CCNC2=O)cc1Cl ZINC000121855572 390893691 /nfs/dbraw/zinc/89/36/91/390893691.db2.gz MAERLPRJDCETCW-UHFFFAOYSA-N 0 0 297.742 1.337 20 10 CDCDRN COCCN(Cc1ccc(N(C)C)cc1)[C@H](C)C(N)=O ZINC000093136964 390900214 /nfs/dbraw/zinc/90/02/14/390900214.db2.gz CGOWHAIMFBTUIJ-GFCCVEGCSA-N 0 0 279.384 1.075 20 10 CDCDRN CO[C@@H]1CCCN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000182323821 391232755 /nfs/dbraw/zinc/23/27/55/391232755.db2.gz UWGNOGOOGWMEFB-SNVBAGLBSA-N 0 0 265.309 1.657 20 10 CDCDRN Cc1c(CNC(=O)c2ccc(C)c(O)c2O)cnn1C ZINC000182941013 391246962 /nfs/dbraw/zinc/24/69/62/391246962.db2.gz UIQHMSXUJQYBAX-UHFFFAOYSA-N 0 0 275.308 1.378 20 10 CDCDRN COC1(CNC(=O)c2ccc(C)c(O)c2O)CCC1 ZINC000183025742 391248318 /nfs/dbraw/zinc/24/83/18/391248318.db2.gz RZRVOYMGLWSXHV-UHFFFAOYSA-N 0 0 265.309 1.705 20 10 CDCDRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1ccccc1O ZINC000179575603 391212983 /nfs/dbraw/zinc/21/29/83/391212983.db2.gz JXYBWWVDSSJGOM-QWRGUYRKSA-N 0 0 271.382 1.646 20 10 CDCDRN Nc1ccc(CC(=O)NCCCn2cccn2)cc1 ZINC000134449973 393262116 /nfs/dbraw/zinc/26/21/16/393262116.db2.gz KGTDMURHGAIGNZ-UHFFFAOYSA-N 0 0 258.325 1.214 20 10 CDCDRN C[C@H](CO)CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000299321192 134879246 /nfs/dbraw/zinc/87/92/46/134879246.db2.gz LDOBTHUOXCSFDY-LBPRGKRZSA-N 0 0 291.395 1.497 20 10 CDCDRN COc1cccc(CN(C)Cc2cnccn2)c1O ZINC000092591430 260497084 /nfs/dbraw/zinc/49/70/84/260497084.db2.gz LZIVXTJXWQPAKV-UHFFFAOYSA-N 0 0 259.309 1.823 20 10 CDCDRN COc1cccc(CNC(=O)c2c(C)nn(C)c2C)c1O ZINC000153581714 261080893 /nfs/dbraw/zinc/08/08/93/261080893.db2.gz WZONQYYRUOIFTL-UHFFFAOYSA-N 0 0 289.335 1.681 20 10 CDCDRN O=C(COCC(F)(F)F)NCCc1ccc(O)c(O)c1 ZINC000156675822 261128778 /nfs/dbraw/zinc/12/87/78/261128778.db2.gz RUBHCUQDRHZPNB-UHFFFAOYSA-N 0 0 293.241 1.335 20 10 CDCDRN Cc1ccc(C(=O)N2C[C@H](C)OC[C@H]2C)c(O)c1O ZINC000177670535 261710910 /nfs/dbraw/zinc/71/09/10/261710910.db2.gz OBMDQPUJPJUOEF-ZJUUUORDSA-N 0 0 265.309 1.656 20 10 CDCDRN C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185392065 262052816 /nfs/dbraw/zinc/05/28/16/262052816.db2.gz IMOJVSFLALTSAO-OLZOCXBDSA-N 0 0 295.402 1.818 20 10 CDCDRN COc1cccc(CNc2cnccc2-n2ccnn2)c1O ZINC000367469330 267092276 /nfs/dbraw/zinc/09/22/76/267092276.db2.gz JGWSKXPZEWFYPX-UHFFFAOYSA-N 0 0 297.318 1.989 20 10 CDCDRN CCOc1cccc(CN2CCn3c(C)nnc3C2)c1O ZINC000371378641 267397412 /nfs/dbraw/zinc/39/74/12/267397412.db2.gz JSYSVTDRLDVKHN-UHFFFAOYSA-N 0 0 288.351 1.707 20 10 CDCDRN CC[C@H](CCO)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001590439965 1173411259 /nfs/dbraw/zinc/41/12/59/1173411259.db2.gz VCCGFEISZXWQIZ-VHSXEESVSA-N 0 0 291.355 1.384 20 10 CDCDRN COC[C@@H](CCO)[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000276988433 292807581 /nfs/dbraw/zinc/80/75/81/292807581.db2.gz XCRDUVJADNAJFA-RKDXNWHRSA-N 0 0 275.295 1.718 20 10 CDCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCOCC12CCC2 ZINC000181244553 329227198 /nfs/dbraw/zinc/22/71/98/329227198.db2.gz KRJJFEXDCWFDHX-HWKANZROSA-N 0 0 289.331 1.893 20 10 CDCDRN O=C(c1cccc(O)c1O)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000187197451 329354387 /nfs/dbraw/zinc/35/43/87/329354387.db2.gz RMWAHIGHTICOEZ-GWCFXTLKSA-N 0 0 277.320 1.739 20 10 CDCDRN Cc1noc(C)c1S(=O)(=O)N(C)Cc1ccccc1O ZINC000269761207 334729288 /nfs/dbraw/zinc/72/92/88/334729288.db2.gz CULFJKNGFGJKQV-UHFFFAOYSA-N 0 0 296.348 1.818 20 10 CDCDRN CN(CC(C)(C)CO)C(=O)NCCc1ccc(N)cc1 ZINC000841955763 1160688898 /nfs/dbraw/zinc/68/88/98/1160688898.db2.gz MNHDLSWEMRUYHR-UHFFFAOYSA-N 0 0 279.384 1.471 20 10 CDCDRN CCN(C(=O)Cc1ccc(N)cc1)[C@@H](C)CS(C)(=O)=O ZINC000237020065 519932062 /nfs/dbraw/zinc/93/20/62/519932062.db2.gz JKKOTJPRPZSUEV-NSHDSACASA-N 0 0 298.408 1.093 20 10 CDCDRN CC(=O)c1cc(Cl)cc(CN2CCN(C)C(=O)C2)c1O ZINC000084205590 518279696 /nfs/dbraw/zinc/27/96/96/518279696.db2.gz AOOVQVGSHWKKGO-UHFFFAOYSA-N 0 0 296.754 1.522 20 10 CDCDRN CCCC[C@H](CC)CNC=C1C(=O)NC(=S)NC1=O ZINC000048402863 521179449 /nfs/dbraw/zinc/17/94/49/521179449.db2.gz SWFNLIRWKAJYMB-VIFPVBQESA-N 0 0 283.397 1.207 20 10 CDCDRN COc1c(O)c(CN2CCO[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278332726 521871708 /nfs/dbraw/zinc/87/17/08/521871708.db2.gz ZMSCFTYSRAHOOR-VHSXEESVSA-N 0 0 296.323 1.918 20 10 CDCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(C)C2)cc1 ZINC000046321262 522169969 /nfs/dbraw/zinc/16/99/69/522169969.db2.gz MYDIMYWEMKUKMI-CYBMUJFWSA-N 0 0 289.379 1.189 20 10 CDCDRN CN(CCN1C(=O)CCC1=O)c1ccc2c(c1)OCO2 ZINC000121247546 522819883 /nfs/dbraw/zinc/81/98/83/522819883.db2.gz DHEOZLCPXSQABO-UHFFFAOYSA-N 0 0 276.292 1.001 20 10 CDCDRN CC[C@@H](O)CCNC(=O)c1c(F)ccc(O)c1O ZINC000276520804 522985263 /nfs/dbraw/zinc/98/52/63/522985263.db2.gz CRROSQBVIPHDDW-SSDOTTSWSA-N 0 0 257.261 1.128 20 10 CDCDRN CC[C@@H]1CC[C@H](C(=O)NCc2ccc(O)c(O)c2)O1 ZINC000272267168 523359441 /nfs/dbraw/zinc/35/94/41/523359441.db2.gz COUCSRBSFHNXOS-ZWNOBZJWSA-N 0 0 265.309 1.672 20 10 CDCDRN CC[S@](=O)CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000278918621 523641054 /nfs/dbraw/zinc/64/10/54/523641054.db2.gz RNPFGBKTXLAEHN-FQEVSTJZSA-N 0 0 294.420 1.454 20 10 CDCDRN COC(=O)[C@@H]1CCN(C(=O)c2cccc(O)c2O)C[C@@H]1C ZINC000276626584 523712601 /nfs/dbraw/zinc/71/26/01/523712601.db2.gz PAZANSQDTRJASR-VHSXEESVSA-N 0 0 293.319 1.369 20 10 CDCDRN CNC(=O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000037224787 524074722 /nfs/dbraw/zinc/07/47/22/524074722.db2.gz KVSRTCVPGSSMOA-UHFFFAOYSA-N 0 0 263.124 1.535 20 10 CDCDRN Cc1cc(C(=O)N[C@@H](C)C(N)=O)c(C)n1-c1ccccc1 ZINC000053394219 524116564 /nfs/dbraw/zinc/11/65/64/524116564.db2.gz IWMWYJZJRMGHKS-NSHDSACASA-N 0 0 285.347 1.698 20 10 CDCDRN COc1ccc(N(C)CC(=O)N2CCC2)cc1F ZINC000268157019 524351090 /nfs/dbraw/zinc/35/10/90/524351090.db2.gz IQKWPQYPJSNQRB-UHFFFAOYSA-N 0 0 252.289 1.503 20 10 CDCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC[C@H]1CCOC1 ZINC000274902311 524696379 /nfs/dbraw/zinc/69/63/79/524696379.db2.gz GPXXXUQPTLIPJD-NEPJUHHUSA-N 0 0 293.363 1.962 20 10 CDCDRN Cc1n[nH]cc1CCCNC(=O)c1c(F)ccc(O)c1O ZINC000276565455 525497392 /nfs/dbraw/zinc/49/73/92/525497392.db2.gz MINUDQIJPJRDSU-UHFFFAOYSA-N 0 0 293.298 1.631 20 10 CDCDRN Cc1nnc([C@H](C)NC(=O)c2cccc(O)c2O)s1 ZINC000280547884 526404806 /nfs/dbraw/zinc/40/48/06/526404806.db2.gz TVIHQTNBLWOYGM-LURJTMIESA-N 0 0 279.321 1.749 20 10 CDCDRN Cc1noc(C)c1CCNC(=O)Cc1ccc(N)cc1 ZINC000237600555 526491523 /nfs/dbraw/zinc/49/15/23/526491523.db2.gz ZLWASXQDSKBNLU-UHFFFAOYSA-N 0 0 273.336 1.775 20 10 CDCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccncn1 ZINC000275108075 526636794 /nfs/dbraw/zinc/63/67/94/526636794.db2.gz FISWMWBNOBHQKQ-UHFFFAOYSA-N 0 0 283.331 1.991 20 10 CDCDRN O=C(CNCC(F)(F)F)NCc1ccccc1O ZINC000134614538 526877583 /nfs/dbraw/zinc/87/75/83/526877583.db2.gz FPKSQWIDXZOTSK-UHFFFAOYSA-N 0 0 262.231 1.160 20 10 CDCDRN Cc1ncncc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000274954013 527466390 /nfs/dbraw/zinc/46/63/90/527466390.db2.gz RXGHTFHOUJYNCV-VIFPVBQESA-N 0 0 287.319 1.557 20 10 CDCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCCCO1 ZINC000272493935 527613654 /nfs/dbraw/zinc/61/36/54/527613654.db2.gz SACRZNAWXDLMKK-PZBABLGHSA-N 0 0 277.320 1.796 20 10 CDCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccnc(C)n2)c1 ZINC000728983281 574680936 /nfs/dbraw/zinc/68/09/36/574680936.db2.gz WZZPQPJSJWPVJN-VIFPVBQESA-N 0 0 287.319 1.990 20 10 CDCDRN O=C([O-])[C@H](CC1CCOCC1)[NH2+]Cc1cc(F)ccc1O ZINC001601643374 1174924567 /nfs/dbraw/zinc/92/45/67/1174924567.db2.gz OERVARIFYUYZIN-ZDUSSCGKSA-N 0 0 297.326 1.891 20 10 CDCDRN CC1(C)COCCN1CCNC(=O)C1=CC(=O)CS1 ZINC000732285966 575086997 /nfs/dbraw/zinc/08/69/97/575086997.db2.gz LNEMBRPIYKYSOU-UHFFFAOYSA-N 0 0 284.381 1.294 20 10 CDCDRN CCN(C(=O)C1=CC(=O)CS1)[C@@H](C)CS(C)(=O)=O ZINC000733002318 575100057 /nfs/dbraw/zinc/10/00/57/575100057.db2.gz ZJIAFARUTMKFDT-QMMMGPOBSA-N 0 0 291.394 1.349 20 10 CDCDRN COc1ccc(O)c(CNc2ncnc3c2ncn3C)c1 ZINC000733994163 575150518 /nfs/dbraw/zinc/15/05/18/575150518.db2.gz BFLVJWFEVFWIAT-UHFFFAOYSA-N 0 0 285.307 1.690 20 10 CDCDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@H]2COC(=O)C2)c1 ZINC000767960144 576242035 /nfs/dbraw/zinc/24/20/35/576242035.db2.gz ZMWZCLAUAYVTNB-NXEZZACHSA-N 0 0 293.319 1.531 20 10 CDCDRN NC(=O)c1cc(Cl)nnc1NCc1ccccc1O ZINC000774524438 575211733 /nfs/dbraw/zinc/21/17/33/575211733.db2.gz TVSCAAKHEVCCMK-UHFFFAOYSA-N 0 0 278.699 1.547 20 10 CDCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)N1CCCC1 ZINC000734503024 575352265 /nfs/dbraw/zinc/35/22/65/575352265.db2.gz QFUNLOGAARJLOG-UHFFFAOYSA-N 0 0 297.424 1.491 20 10 CDCDRN CN(C)c1ccc(CNC(=O)[C@H](O)C(C)(C)C)cc1 ZINC000735840134 575523521 /nfs/dbraw/zinc/52/35/21/575523521.db2.gz DNIHQWSKSGZFLF-ZDUSSCGKSA-N 0 0 264.369 1.776 20 10 CDCDRN CC(C)[C@](C)(O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000771100319 575548754 /nfs/dbraw/zinc/54/87/54/575548754.db2.gz VLECYRDJWVOTLT-HNNXBMFYSA-N 0 0 264.369 1.776 20 10 CDCDRN C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)c1ccc(N(C)C)cc1 ZINC000772998198 575773445 /nfs/dbraw/zinc/77/34/45/575773445.db2.gz ISIINRNJBBOLHW-MFKMUULPSA-N 0 0 275.352 1.208 20 10 CDCDRN C[C@H](NC(=O)[C@@H]1CCC(=O)N1C)c1ccc(N(C)C)cc1 ZINC000773021138 575774692 /nfs/dbraw/zinc/77/46/92/575774692.db2.gz YXTSENDIBNBDBA-FZMZJTMJSA-N 0 0 289.379 1.551 20 10 CDCDRN C[C@H](NS(=O)(=O)NC1CC1)c1ccc(N(C)C)cc1 ZINC000773083909 575780930 /nfs/dbraw/zinc/78/09/30/575780930.db2.gz LQYDBLVBIOHJPI-JTQLQIEISA-N 0 0 283.397 1.400 20 10 CDCDRN CO[C@@]1(CNC(=O)N(C)Cc2ccccc2O)CCOC1 ZINC000764803377 575948395 /nfs/dbraw/zinc/94/83/95/575948395.db2.gz GWNXCSVGRHRXMC-OAHLLOKOSA-N 0 0 294.351 1.339 20 10 CDCDRN COc1ccc(O)c(CNC(=O)[C@@H](O)C(C)(C)C)c1 ZINC000765178871 575995315 /nfs/dbraw/zinc/99/53/15/575995315.db2.gz USAMYZQPPUTYMS-GFCCVEGCSA-N 0 0 267.325 1.424 20 10 CDCDRN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000765798968 576056948 /nfs/dbraw/zinc/05/69/48/576056948.db2.gz WTDFWOLKRBFOMY-NEPJUHHUSA-N 0 0 293.323 1.305 20 10 CDCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCc1cccnn1 ZINC000768595132 576298456 /nfs/dbraw/zinc/29/84/56/576298456.db2.gz CUQXCSIDKHKOBZ-XQRVVYSFSA-N 0 0 271.276 1.217 20 10 CDCDRN CN(C)c1ccc(CN2CCCNC(=O)C2)cc1F ZINC000769114120 576331024 /nfs/dbraw/zinc/33/10/24/576331024.db2.gz HZSTZIXJTPHFOI-UHFFFAOYSA-N 0 0 265.332 1.214 20 10 CDCDRN CCOC(=O)[C@H]1CN(Cc2cc(C)ccc2O)CCO1 ZINC000769465455 576356584 /nfs/dbraw/zinc/35/65/84/576356584.db2.gz CMVUTUCAQZXMQV-CQSZACIVSA-N 0 0 279.336 1.465 20 10 CDCDRN Cc1nc(COC(=O)c2ccc(C)c(O)c2O)no1 ZINC000759509870 576396083 /nfs/dbraw/zinc/39/60/83/576396083.db2.gz IYEFVKJJUNOFDN-UHFFFAOYSA-N 0 0 264.237 1.455 20 10 CDCDRN CC[C@@H](C)NC(=O)COC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000759578256 576406416 /nfs/dbraw/zinc/40/64/16/576406416.db2.gz GCCXILAVLDROSL-BREXMAIKSA-N 0 0 293.319 1.569 20 10 CDCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCCn1cccn1 ZINC000759590835 576408983 /nfs/dbraw/zinc/40/89/83/576408983.db2.gz YAWGPPHGHLOXKA-HWKANZROSA-N 0 0 274.276 1.551 20 10 CDCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCCCCO ZINC000759595037 576409209 /nfs/dbraw/zinc/40/92/09/576409209.db2.gz PJOPVJXLADMVTJ-GQCTYLIASA-N 0 0 252.266 1.427 20 10 CDCDRN 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CDCDRN COC[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756343244 576986381 /nfs/dbraw/zinc/98/63/81/576986381.db2.gz WGGCISKTFZGCNE-DTWKUNHWSA-N 0 0 254.286 1.986 20 10 CDCDRN C[C@H]([NH2+]CCN1CCOC[C@H]1C)c1ccc(F)cc1[O-] ZINC000756537372 576994308 /nfs/dbraw/zinc/99/43/08/576994308.db2.gz YJTQQANPZQFVJH-NEPJUHHUSA-N 0 0 282.359 1.903 20 10 CDCDRN C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(=O)N(C)C ZINC000756739442 577002627 /nfs/dbraw/zinc/00/26/27/577002627.db2.gz MZMMILWXDGWOOZ-DTWKUNHWSA-N 0 0 281.312 1.428 20 10 CDCDRN COc1ccccc1S(=O)(=O)NCc1ccccc1O ZINC000751149417 577027811 /nfs/dbraw/zinc/02/78/11/577027811.db2.gz XVUYFSJYBUGPBP-UHFFFAOYSA-N 0 0 293.344 1.879 20 10 CDCDRN CO[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000752983528 577138968 /nfs/dbraw/zinc/13/89/68/577138968.db2.gz VQCCBOQPCMEJQQ-HNNXBMFYSA-N 0 0 291.395 1.991 20 10 CDCDRN COC(=O)C[C@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000759086253 577151806 /nfs/dbraw/zinc/15/18/06/577151806.db2.gz 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/nfs/dbraw/zinc/53/71/70/617537170.db2.gz NBQUJHYHZXWEQL-INIZCTEOSA-N 0 0 289.379 1.285 20 10 CDCDRN COC(=O)CN(Cc1ccc(OC)c(OC)c1O)C1CC1 ZINC000892218395 617559550 /nfs/dbraw/zinc/55/95/50/617559550.db2.gz VUMXCPWKOQNHDM-UHFFFAOYSA-N 0 0 295.335 1.547 20 10 CDCDRN Cc1ccc(C(=O)NCc2ccccn2)c(O)c1O ZINC000146205630 617876531 /nfs/dbraw/zinc/87/65/31/617876531.db2.gz MSXRHLXPBJKWLR-UHFFFAOYSA-N 0 0 258.277 1.731 20 10 CDCDRN COc1nn(C)cc1NCc1ccc(OC)c(OC)c1O ZINC000893958853 618224269 /nfs/dbraw/zinc/22/42/69/618224269.db2.gz DYLVZLZKOQZDLE-UHFFFAOYSA-N 0 0 293.323 1.764 20 10 CDCDRN C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)Cc1ccc(N)cc1 ZINC000832070785 618635715 /nfs/dbraw/zinc/63/57/15/618635715.db2.gz DMTRIKXEVXEIQX-NSHDSACASA-N 0 0 291.395 1.573 20 10 CDCDRN COc1ccc(O)c(CNC(=O)[C@]2(OC)CCSC2)c1 ZINC000896360464 620072109 /nfs/dbraw/zinc/07/21/09/620072109.db2.gz DBWWYFGXKUEUKD-AWEZNQCLSA-N 0 0 297.376 1.539 20 10 CDCDRN C[C@H]1CN(Cc2cc(F)c(N(C)C)cc2F)C[C@@H]1O ZINC000897678571 621065282 /nfs/dbraw/zinc/06/52/82/621065282.db2.gz CETNGMRPCWFUQW-XPTSAGLGSA-N 0 0 270.323 1.843 20 10 CDCDRN CCCN1CC(=O)N[C@@H]1c1ccc(OC)c(OC)c1O ZINC000899378494 622226270 /nfs/dbraw/zinc/22/62/70/622226270.db2.gz QKQZBWNUVFBWPZ-AWEZNQCLSA-N 0 0 280.324 1.250 20 10 CDCDRN CC[C@@H](O)[C@@H](C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000901121137 623878872 /nfs/dbraw/zinc/87/88/72/623878872.db2.gz BCHUJWUFOYHJQE-MWLCHTKSSA-N 0 0 267.325 1.164 20 10 CDCDRN C/C(Cl)=C\C(=O)NCCc1ccc(O)c(O)c1 ZINC000901124731 623881459 /nfs/dbraw/zinc/88/14/59/623881459.db2.gz ZKRUTJURFOMDBA-SOFGYWHQSA-N 0 0 255.701 1.899 20 10 CDCDRN CCOCc1cc(C[NH2+][C@H](COC)C(=O)[O-])ccc1OC ZINC000901476336 624264434 /nfs/dbraw/zinc/26/44/34/624264434.db2.gz AXEWDTAYPFKLCJ-CYBMUJFWSA-N 0 0 297.351 1.421 20 10 CDCDRN COC[C@@H]1COCCN1Cc1cc(OC)c(OC)cc1O ZINC000902557780 624945917 /nfs/dbraw/zinc/94/59/17/624945917.db2.gz AMMIBLBTYIHSOB-GFCCVEGCSA-N 0 0 297.351 1.257 20 10 CDCDRN COC[C@@H]1COCCN1Cc1cc(C)cc(OC)c1O ZINC000902561910 624947370 /nfs/dbraw/zinc/94/73/70/624947370.db2.gz DGOGYZLIDDLJDR-CYBMUJFWSA-N 0 0 281.352 1.556 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)NCC1CSC1 ZINC000923814424 625248856 /nfs/dbraw/zinc/24/88/56/625248856.db2.gz XGYYTVSCVKHVIK-UHFFFAOYSA-N 0 0 266.366 1.897 20 10 CDCDRN CN(C)c1ccc(CN(C)C(=O)CN2CC=CCN2)cc1 ZINC000903488959 626010349 /nfs/dbraw/zinc/01/03/49/626010349.db2.gz ACGBIWASCUDBBJ-UHFFFAOYSA-N 0 0 288.395 1.087 20 10 CDCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2[C@@H]3C(=O)CC[C@H]23)cc1 ZINC000905447802 626810197 /nfs/dbraw/zinc/81/01/97/626810197.db2.gz GRKAPTGKCLBFQH-CWRNSKLLSA-N 0 0 286.375 1.936 20 10 CDCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000906713694 627382300 /nfs/dbraw/zinc/38/23/00/627382300.db2.gz FEBFJABRFQNTKL-FVQBIDKESA-N 0 0 286.375 1.902 20 10 CDCDRN O=C(NCc1ccc(O)cc1O)C(F)(F)C(F)F ZINC000910951954 629115684 /nfs/dbraw/zinc/11/56/84/629115684.db2.gz ZLWPMFULSYGAJR-UHFFFAOYSA-N 0 0 267.178 1.614 20 10 CDCDRN C[C@H](CC(=O)NCc1ccc(O)cc1O)c1cnn(C)c1 ZINC000910945008 629125822 /nfs/dbraw/zinc/12/58/22/629125822.db2.gz SAKDLILAMNYHQB-SNVBAGLBSA-N 0 0 289.335 1.641 20 10 CDCDRN Cc1ncc2n1C[C@H](C(=O)Nc1ccc(N)cc1)CC2 ZINC000911661493 629382032 /nfs/dbraw/zinc/38/20/32/629382032.db2.gz VPQSAQHAQBKKHO-LLVKDONJSA-N 0 0 270.336 1.975 20 10 CDCDRN O=C(C1=CC(=O)CS1)N1CCO[C@H]1C(F)(F)F ZINC000912081425 629780810 /nfs/dbraw/zinc/78/08/10/629780810.db2.gz QBAOOMCBMJJAJU-QMMMGPOBSA-N 0 0 267.228 1.815 20 10 CDCDRN Cc1ccc(O)c(CNC(=O)c2c3c(nn2C)CCC3)c1 ZINC000912999983 630328185 /nfs/dbraw/zinc/32/81/85/630328185.db2.gz BBSOOZAWUGHWIC-UHFFFAOYSA-N 0 0 285.347 1.853 20 10 CDCDRN C[C@@H](NC(=O)[C@H]1CCCC(=O)N1C)c1ccccc1O ZINC000913763464 630747873 /nfs/dbraw/zinc/74/78/73/630747873.db2.gz HDKMJGZXMVDRFE-ZYHUDNBSSA-N 0 0 276.336 1.580 20 10 CDCDRN CCn1c(Sc2nccs2)nnc1N1CCOCC1 ZINC000914863032 631588184 /nfs/dbraw/zinc/58/81/84/631588184.db2.gz ZSWLLSINJVXORF-UHFFFAOYSA-N 0 0 297.409 1.742 20 10 CDCDRN O=C(Cc1ccccc1O)NCCc1ccc(O)c(O)c1 ZINC000154007642 632000526 /nfs/dbraw/zinc/00/05/26/632000526.db2.gz LCAVRADCEFLEMS-UHFFFAOYSA-N 0 0 287.315 1.705 20 10 CDCDRN Cc1cc(N2C[C@H](O)C[C@@H]2CO)ccc1OC(C)C ZINC001170288972 1162333136 /nfs/dbraw/zinc/33/31/36/1162333136.db2.gz BOLBAECJCSAYMS-ZIAGYGMSSA-N 0 0 265.353 1.714 20 10 CDCDRN CS(=O)(=O)c1ccc(NCc2ccccc2O)nc1 ZINC000388869766 1159930560 /nfs/dbraw/zinc/93/05/60/1159930560.db2.gz BKHOJOUJZONNNE-UHFFFAOYSA-N 0 0 278.333 1.225 20 10 CDCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001142509030 1160688834 /nfs/dbraw/zinc/68/88/34/1160688834.db2.gz URKLVHMUEPGVFN-PRHODGIISA-N 0 0 261.243 1.575 20 10 CDCDRN C[C@H]([NH2+]C1CC(CCO)C1)c1cc(C(=O)[O-])ccc1O ZINC001604328217 1163151242 /nfs/dbraw/zinc/15/12/42/1163151242.db2.gz DBOZOHXXCJSKOL-BMQDGWLCSA-N 0 0 279.336 1.902 20 10 CDCDRN O=S(=O)(Nc1ccc(O)cc1F)c1cccnc1 ZINC000085203905 1161339286 /nfs/dbraw/zinc/33/92/86/1161339286.db2.gz AJXHLDJCLCCOFL-UHFFFAOYSA-N 0 0 268.269 1.727 20 10 CDCDRN CC[C@](C)(NC(=O)Cc1ccc(O)c(O)c1)c1cn[nH]n1 ZINC001576189253 1171354907 /nfs/dbraw/zinc/35/49/07/1171354907.db2.gz AETUCYLKTOUQOA-AWEZNQCLSA-N 0 0 290.323 1.200 20 10 CDCDRN COc1cn(C)nc1[C@H](C)NC(=O)Cc1ccc(N)cc1 ZINC001579318887 1172143937 /nfs/dbraw/zinc/14/39/37/1172143937.db2.gz DPTVRJUACQIOSW-JTQLQIEISA-N 0 0 288.351 1.431 20 10 CDCDRN Cc1ccccc1[C@@H]([NH3+])C(=O)NCc1cc(O)ccc1O ZINC001579794199 1172263766 /nfs/dbraw/zinc/26/37/66/1172263766.db2.gz UOCWRLJIHOUJLE-OAHLLOKOSA-N 0 0 286.331 1.722 20 10 CDCDRN Nc1ccc(CC(=O)N2CC[C@@H](c3ncccn3)C2)cc1 ZINC001580443154 1172438426 /nfs/dbraw/zinc/43/84/26/1172438426.db2.gz TVVQIJNQIUCFIM-CYBMUJFWSA-N 0 0 282.347 1.617 20 10 CDCDRN Nc1ccc(NC(=O)Nc2ccc(=O)n(CCO)c2)cc1 ZINC001580449640 1172439519 /nfs/dbraw/zinc/43/95/19/1172439519.db2.gz QRDGMNZGDLULNS-UHFFFAOYSA-N 0 0 288.307 1.067 20 10 CDCDRN C[C@H]([NH2+]C1CC=CC1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589953543 1173208364 /nfs/dbraw/zinc/20/83/64/1173208364.db2.gz DBWMIKCGCWRNGD-VIFPVBQESA-N 0 0 271.324 1.942 20 10 CDCDRN C[C@@H]([NH2+][C@@H](C)C(C)(C)O)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589974059 1173219725 /nfs/dbraw/zinc/21/97/25/1173219725.db2.gz ONEKHXUHPXSNHV-BDAKNGLRSA-N 0 0 291.355 1.382 20 10 CDCDRN CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001591323935 1173610660 /nfs/dbraw/zinc/61/06/60/1173610660.db2.gz GMKMCCCSFZLUIB-IVZWLZJFSA-N 0 0 291.355 1.646 20 10 CDCDRN Cc1ncncc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000122486865 1175241459 /nfs/dbraw/zinc/24/14/59/1175241459.db2.gz OAPOVCMXTGMWHD-UHFFFAOYSA-N 0 0 273.292 1.169 20 10 CDCDRN COC(=O)C1(C)CN(C(=O)C2=CC(=O)CS2)C1 ZINC000822446694 1164227949 /nfs/dbraw/zinc/22/79/49/1164227949.db2.gz JDXJMJVIFJJNPU-UHFFFAOYSA-N 0 0 255.295 1.089 20 10 CDCDRN Cc1ccc(C(=O)N2CCC[C@H]2C2OCCO2)c(O)c1O ZINC000888437971 782204417 /nfs/dbraw/zinc/20/44/17/782204417.db2.gz TWXXZNHHOYSUDE-NSHDSACASA-N 0 0 293.319 1.384 20 10 CDCDRN CO[C@@H]1CCC[C@H]1CNC(=O)c1ccc(C)c(O)c1O ZINC000781014426 782230604 /nfs/dbraw/zinc/23/06/04/782230604.db2.gz QQYFZZBQLKNKDG-CMPLNLGQSA-N 0 0 279.336 1.951 20 10 CDCDRN Cc1nnc(CNC(=O)c2ccc(C)c(O)c2O)s1 ZINC000781050043 782262086 /nfs/dbraw/zinc/26/20/86/782262086.db2.gz RTBCIOVTZNMEIS-UHFFFAOYSA-N 0 0 279.321 1.496 20 10 CDCDRN CC[C@@](C)(O)C(=O)NCCCSc1nccs1 ZINC000932684245 782348149 /nfs/dbraw/zinc/34/81/49/782348149.db2.gz VJXBYRYMTNNUNR-LLVKDONJSA-N 0 0 274.411 1.903 20 10 CDCDRN Fc1cc(CNCc2cocn2)ccc1N1CCOCC1 ZINC000237702424 782356639 /nfs/dbraw/zinc/35/66/39/782356639.db2.gz XHGWWEIVAQEBEX-UHFFFAOYSA-N 0 0 291.326 1.940 20 10 CDCDRN COc1cccc(CNC(=O)c2cccnc2OC)c1O ZINC000068489231 782376115 /nfs/dbraw/zinc/37/61/15/782376115.db2.gz MFYCVWGMHMOHRN-UHFFFAOYSA-N 0 0 288.303 1.734 20 10 CDCDRN C[C@H](OC(=O)c1cccc(O)c1O)C(=O)NC(C)(C)C ZINC000776281500 782383555 /nfs/dbraw/zinc/38/35/55/782383555.db2.gz FRSVTWDDIOLLOH-QMMMGPOBSA-N 0 0 281.308 1.558 20 10 CDCDRN CO[C@@]1(CNC(=O)N[C@H](C)c2ccccc2O)CCOC1 ZINC000868503459 1164954646 /nfs/dbraw/zinc/95/46/46/1164954646.db2.gz WOBBHDOHGBVRGT-IAQYHMDHSA-N 0 0 294.351 1.558 20 10 CDCDRN COC(=O)N1CC(C)([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000798183831 782518473 /nfs/dbraw/zinc/51/84/73/782518473.db2.gz UQDYRRCPVFCSED-UHFFFAOYSA-N 0 0 284.743 1.976 20 10 CDCDRN CO[C@@H]1CCC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000836849848 782521320 /nfs/dbraw/zinc/52/13/20/782521320.db2.gz ZDZBHRVXXXPOPE-VLPCURTJSA-N 0 0 277.320 1.795 20 10 CDCDRN CCC[N@H+](CC(=O)NC)Cc1cc(F)cc(F)c1[O-] ZINC000708411428 782525061 /nfs/dbraw/zinc/52/50/61/782525061.db2.gz AHOBKKZZQYUPCM-UHFFFAOYSA-N 0 0 272.295 1.628 20 10 CDCDRN COc1ccc(CNC(=O)NC[C@@]2(C)CCCO2)c(O)c1 ZINC000792992727 782620208 /nfs/dbraw/zinc/62/02/08/782620208.db2.gz MRKVGSGXFXNXRV-OAHLLOKOSA-N 0 0 294.351 1.769 20 10 CDCDRN COc1ccc2c(c1)CC[C@H](C(=O)OCC(=O)C(C)=O)C2 ZINC000884670882 782655582 /nfs/dbraw/zinc/65/55/82/782655582.db2.gz PBNSCJCGXNLUII-ZDUSSCGKSA-N 0 0 290.315 1.501 20 10 CDCDRN O=C(Nc1ccc2nncn2c1)C1=CC(=O)CS1 ZINC000782123933 782719573 /nfs/dbraw/zinc/71/95/73/782719573.db2.gz IJLIZAMMUYAHFM-UHFFFAOYSA-N 0 0 260.278 1.749 20 10 CDCDRN CC(C)(C)c1cnc(SCCS(N)(=O)=O)s1 ZINC000164142269 782776893 /nfs/dbraw/zinc/77/68/93/782776893.db2.gz QNVOKXCKTGJOFJ-UHFFFAOYSA-N 0 0 280.440 1.821 20 10 CDCDRN Cc1ccc(O)c(CNC(=O)COCC(F)(F)F)c1 ZINC000862757379 782789475 /nfs/dbraw/zinc/78/94/75/782789475.db2.gz RMCVGBBLQCBMRM-UHFFFAOYSA-N 0 0 277.242 1.896 20 10 CDCDRN CC[C@H](COC)NC(=O)NCc1cc(OC)ccc1O ZINC000159985743 782806603 /nfs/dbraw/zinc/80/66/03/782806603.db2.gz GOLZVXHNFJBOGK-LLVKDONJSA-N 0 0 282.340 1.625 20 10 CDCDRN COc1ccc(N(CC(=O)N(C)C)CC2CC2)cc1 ZINC000831582822 782811263 /nfs/dbraw/zinc/81/12/63/782811263.db2.gz JCVMEDVSLDNZOA-UHFFFAOYSA-N 0 0 262.353 2.000 20 10 CDCDRN O=C(N[C@H]1CCC[C@@H]1CCO)C1=CC(=O)CS1 ZINC000779664428 782932829 /nfs/dbraw/zinc/93/28/29/782932829.db2.gz UFJXVUJCPJQUSD-SCZZXKLOSA-N 0 0 255.339 1.735 20 10 CDCDRN Cc1nnc([C@@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)o1 ZINC000779532830 783036413 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FCDKKJHCSNNGKQ-GFCCVEGCSA-N 0 0 285.365 1.381 20 10 CDCDRN C[C@H](Nc1ccc(C(N)=O)nn1)c1ccc(N(C)C)cc1 ZINC000302392949 364495944 /nfs/dbraw/zinc/49/59/44/364495944.db2.gz JPYNFUFMGIQZRK-JTQLQIEISA-N 0 0 285.351 1.815 20 10 CDCDRN CC[C@@H]1CC[C@H](C(=O)NCCc2ccc(O)c(O)c2)O1 ZINC000270551232 364650415 /nfs/dbraw/zinc/65/04/15/364650415.db2.gz OUIDNRIDTJQFLF-BXUZGUMPSA-N 0 0 279.336 1.714 20 10 CDCDRN C[C@@H]1[C@H](C)[S@](=O)CCN1Cc1ccccc1O ZINC000271440304 364983630 /nfs/dbraw/zinc/98/36/30/364983630.db2.gz RUVXVDAEBGLWBL-VGTOOOLASA-N 0 0 253.367 1.734 20 10 CDCDRN COc1ccc(O)c(C[N@H+](C)[C@H]2CCN(C)C2=O)c1 ZINC000271830842 365001245 /nfs/dbraw/zinc/00/12/45/365001245.db2.gz OSCLNSHQEQYALL-LBPRGKRZSA-N 0 0 264.325 1.063 20 10 CDCDRN Cc1nc(NC(=O)c2ccc(C)c(O)c2O)nn1C ZINC000293766075 370787960 /nfs/dbraw/zinc/78/79/60/370787960.db2.gz UUGKGQOQRJXDJR-UHFFFAOYSA-N 0 0 262.269 1.095 20 10 CDCDRN CC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)OC ZINC000272399274 365219946 /nfs/dbraw/zinc/21/99/46/365219946.db2.gz HQQLNXOFDIWTQY-STUBTGCMSA-N 0 0 279.292 1.179 20 10 CDCDRN Cc1ccc(C(=O)NC2=NO[C@@H](C)C2)c(O)c1O ZINC000272959003 365459086 /nfs/dbraw/zinc/45/90/86/365459086.db2.gz JHEVZAGOFQXKED-ZETCQYMHSA-N 0 0 250.254 1.258 20 10 CDCDRN C[C@@H]([NH2+]CC(C)(C)O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273611467 365511776 /nfs/dbraw/zinc/51/17/76/365511776.db2.gz WEERSVSTYFOGDV-MRVPVSSYSA-N 0 0 254.286 1.722 20 10 CDCDRN COCC[C@@H](CO)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000281521593 367650247 /nfs/dbraw/zinc/65/02/47/367650247.db2.gz HSYNYGMXYILUEQ-NEPJUHHUSA-N 0 0 253.342 1.749 20 10 CDCDRN COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)NCCF)c1 ZINC000282963857 368124619 /nfs/dbraw/zinc/12/46/19/368124619.db2.gz ZULVUCIBSJRPPO-ZJUUUORDSA-N 0 0 284.331 1.526 20 10 CDCDRN CC(C)[C@@H](O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000285198159 368596365 /nfs/dbraw/zinc/59/63/65/368596365.db2.gz OXIOKCYJYQLIMC-OAHLLOKOSA-N 0 0 276.380 1.920 20 10 CDCDRN CCOC(=O)[C@H](C)[C@H](C)NC(=O)c1cccc(O)c1O ZINC000286066278 368690381 /nfs/dbraw/zinc/69/03/81/368690381.db2.gz MDNWLCKXOHQNEO-BDAKNGLRSA-N 0 0 281.308 1.415 20 10 CDCDRN Cc1nnc([C@H](C)NC(=O)c2ccc(C)c(O)c2O)[nH]1 ZINC000286229889 368737172 /nfs/dbraw/zinc/73/71/72/368737172.db2.gz CNVAKTANPAEGCJ-ZETCQYMHSA-N 0 0 276.296 1.324 20 10 CDCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cnnn2C)c1 ZINC000287162703 369107764 /nfs/dbraw/zinc/10/77/64/369107764.db2.gz BUQRKRKGFIWRCD-VIFPVBQESA-N 0 0 290.323 1.158 20 10 CDCDRN C[C@@H]([NH2+][C@H]1CCCNC1=O)c1ccc(F)c(F)c1[O-] ZINC000296510569 296162617 /nfs/dbraw/zinc/16/26/17/296162617.db2.gz PMFGIVJRCMBEMA-XCBNKYQSSA-N 0 0 270.279 1.600 20 10 CDCDRN COC(=O)c1cnc(SCc2nonc2C)s1 ZINC000295366938 371240730 /nfs/dbraw/zinc/24/07/30/371240730.db2.gz SBXDDHQGKLCUOU-UHFFFAOYSA-N 0 0 271.323 1.913 20 10 CDCDRN O=C(NN1CCCCC1)c1c(F)ccc(O)c1O ZINC000295516690 371320069 /nfs/dbraw/zinc/32/00/69/371320069.db2.gz LYFXHUMPMWVNEZ-UHFFFAOYSA-N 0 0 254.261 1.368 20 10 CDCDRN C[C@@H](NC(=O)C(C)(C)C)C(=O)NCc1ccc(N)cc1 ZINC000297140982 371961781 /nfs/dbraw/zinc/96/17/81/371961781.db2.gz ICWADOSGUCRBHD-SNVBAGLBSA-N 0 0 277.368 1.436 20 10 CDCDRN C[C@@H](CC(C)(C)O)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000296790602 378748277 /nfs/dbraw/zinc/74/82/77/378748277.db2.gz DOLPJKDZALDQJQ-STUBTGCMSA-N 0 0 279.336 1.777 20 10 CDCDRN CCC1(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000296330740 378726772 /nfs/dbraw/zinc/72/67/72/378726772.db2.gz SISRAHVVBGGTOD-UHFFFAOYSA-N 0 0 298.364 1.436 20 10 CDCDRN C[C@@H]([NH2+]CC1(C)OCCO1)c1ccc(F)cc1[O-] ZINC000186211657 262084311 /nfs/dbraw/zinc/08/43/11/262084311.db2.gz MPQSCVINYUQEGD-SECBINFHSA-N 0 0 255.289 1.945 20 10 CDCDRN CCN(CC)c1ccc(CNC(=O)CNC(C)=O)cc1F ZINC000109022437 390627073 /nfs/dbraw/zinc/62/70/73/390627073.db2.gz DKKSFBBBNQTORG-UHFFFAOYSA-N 0 0 295.358 1.424 20 10 CDCDRN CN(C)c1ccc(CN(C)CC(=O)NC2CC2)cc1F ZINC000120332055 390868849 /nfs/dbraw/zinc/86/88/49/390868849.db2.gz HIPBZUXQFJHFQZ-UHFFFAOYSA-N 0 0 279.359 1.602 20 10 CDCDRN COC(=O)CCS(=O)(=O)Nc1ccc(O)c(C)c1 ZINC000148634019 390956110 /nfs/dbraw/zinc/95/61/10/390956110.db2.gz WMXIJQBDEKBEOI-UHFFFAOYSA-N 0 0 273.310 1.005 20 10 CDCDRN CC(C)OC[C@H]1CN(C(=O)c2cccc(O)c2O)CCO1 ZINC000369130115 391088407 /nfs/dbraw/zinc/08/84/07/391088407.db2.gz KWXVLKIZWNFXLF-LLVKDONJSA-N 0 0 295.335 1.364 20 10 CDCDRN CO[C@@H]1CCCN(C(=O)c2cccc(O)c2O)CC1 ZINC000365699820 391142374 /nfs/dbraw/zinc/14/23/74/391142374.db2.gz FMEAYOXLJKGVCG-SNVBAGLBSA-N 0 0 265.309 1.739 20 10 CDCDRN O=C(c1cccc(O)c1O)N1CCOC[C@H]1[C@H]1CCCO1 ZINC000376231965 391218782 /nfs/dbraw/zinc/21/87/82/391218782.db2.gz UBXSTVABHHRFMW-WCQYABFASA-N 0 0 293.319 1.118 20 10 CDCDRN C[C@H](NC(=O)C1CCCC1)C(=O)Nc1ccc(N)cc1 ZINC000269109820 391239442 /nfs/dbraw/zinc/23/94/42/391239442.db2.gz DNYZAEWYRHKDAB-JTQLQIEISA-N 0 0 275.352 1.902 20 10 CDCDRN COc1ccc(N2CCN(Cc3ccnn3C)CC2)cc1 ZINC000179530696 391209641 /nfs/dbraw/zinc/20/96/41/391209641.db2.gz GIMLTLDNYRQPLF-UHFFFAOYSA-N 0 0 286.379 1.751 20 10 CDCDRN O=C(NCCc1ccc(O)c(O)c1)C1CCC(O)CC1 ZINC000194476204 391359705 /nfs/dbraw/zinc/35/97/05/391359705.db2.gz AORNQAVWTXOCQA-UHFFFAOYSA-N 0 0 279.336 1.308 20 10 CDCDRN CCOc1cccc(CN2CCOC[C@]23CCOC3)c1O ZINC000195017324 391373940 /nfs/dbraw/zinc/37/39/40/391373940.db2.gz PRMYHMQKLKQKCE-MRXNPFEDSA-N 0 0 293.363 1.782 20 10 CDCDRN COCCCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000172704747 391856859 /nfs/dbraw/zinc/85/68/59/391856859.db2.gz LJUGFGNRAUCMCS-UHFFFAOYSA-N 0 0 289.379 1.899 20 10 CDCDRN Cc1nc2nc(C)cc(N3Cc4cccc(O)c4C3)n2n1 ZINC000882690375 782029589 /nfs/dbraw/zinc/02/95/89/782029589.db2.gz QIMPFXFYZPUEDX-UHFFFAOYSA-N 0 0 281.319 1.967 20 10 CDCDRN CC(C)(C)CC(=O)NCC(=O)NCc1ccc(O)c(O)c1 ZINC000159112037 261178495 /nfs/dbraw/zinc/17/84/95/261178495.db2.gz JJVIUOMLDQFDNE-UHFFFAOYSA-N 0 0 294.351 1.266 20 10 CDCDRN O=S(=O)(NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000172696166 261508591 /nfs/dbraw/zinc/50/85/91/261508591.db2.gz TYBJNTSXABHGHW-UHFFFAOYSA-N 0 0 280.393 1.869 20 10 CDCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCCOCC1 ZINC000181319565 261893960 /nfs/dbraw/zinc/89/39/60/261893960.db2.gz COASPXCOLBLDPQ-FUEXJSSKSA-N 0 0 277.320 1.796 20 10 CDCDRN Cc1ccc([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c(O)c1 ZINC000185392733 262052991 /nfs/dbraw/zinc/05/29/91/262052991.db2.gz XWEAXLYSKRWABD-GJZGRUSLSA-N 0 0 291.439 1.987 20 10 CDCDRN C[C@@H]([NH2+]CC1(CO)COC1)c1ccc(F)cc1[O-] ZINC000186146142 262082137 /nfs/dbraw/zinc/08/21/37/262082137.db2.gz HNHCKPIZCWPRII-SECBINFHSA-N 0 0 255.289 1.191 20 10 CDCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCOC1 ZINC000186438971 262093232 /nfs/dbraw/zinc/09/32/32/262093232.db2.gz FTPSEFKOLBIMRZ-PWSUYJOCSA-N 0 0 279.336 1.572 20 10 CDCDRN O=C(/C=C\c1cncs1)N1CCOc2ccncc21 ZINC000492954301 262252521 /nfs/dbraw/zinc/25/25/21/262252521.db2.gz ONBJBEMEHAKINR-UPHRSURJSA-N 0 0 273.317 1.977 20 10 CDCDRN COCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185467193 262304889 /nfs/dbraw/zinc/30/48/89/262304889.db2.gz TYAPCCDSZQNLHP-YGRLFVJLSA-N 0 0 271.332 1.969 20 10 CDCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(=O)[nH]n2)cc1 ZINC000022763877 262351049 /nfs/dbraw/zinc/35/10/49/262351049.db2.gz KNJNMKLHNOMILX-UHFFFAOYSA-N 0 0 286.335 1.520 20 10 CDCDRN Cc1cccc(CN2CCN(C(C)C)C(=O)C2)c1O ZINC000272544256 263006245 /nfs/dbraw/zinc/00/62/45/263006245.db2.gz PSJCXZUQIOFSID-UHFFFAOYSA-N 0 0 262.353 1.753 20 10 CDCDRN C[C@@H]([NH2+]C1CCC1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589957693 1173210942 /nfs/dbraw/zinc/21/09/42/1173210942.db2.gz SDZZGKZCVAAVTH-MRVPVSSYSA-N 0 0 259.313 1.775 20 10 CDCDRN CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000857068571 782043998 /nfs/dbraw/zinc/04/39/98/782043998.db2.gz AQOWEUSWDHLNGL-LLVKDONJSA-N 0 0 268.744 1.756 20 10 CDCDRN Cc1cc(CN2CCS(=O)(=O)CC2)ccc1N(C)C ZINC000292986391 301274536 /nfs/dbraw/zinc/27/45/36/301274536.db2.gz FQNBGZFJRWVSFL-UHFFFAOYSA-N 0 0 282.409 1.291 20 10 CDCDRN Cc1cccc(C)c1C=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000120638810 301970218 /nfs/dbraw/zinc/97/02/18/301970218.db2.gz AIFWNYWZYQLKPX-UHFFFAOYSA-N 0 0 272.304 1.737 20 10 CDCDRN COc1ccc(O)c(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000312712741 782084049 /nfs/dbraw/zinc/08/40/49/782084049.db2.gz TUULICXOGFSAKI-ZWNOBZJWSA-N 0 0 279.336 1.943 20 10 CDCDRN CN(C)c1ccc(CNc2nnc(C(C)(C)O)o2)cc1 ZINC000276466008 328218643 /nfs/dbraw/zinc/21/86/43/328218643.db2.gz POEIBWCPGIWFHU-UHFFFAOYSA-N 0 0 276.340 1.975 20 10 CDCDRN O=C(NCc1ccccc1O)NC[C@H]1CCSC1 ZINC000279148501 328232673 /nfs/dbraw/zinc/23/26/73/328232673.db2.gz BNDZUQWLFIURCA-SNVBAGLBSA-N 0 0 266.366 1.945 20 10 CDCDRN Cc1ccc(C[N@@H+](C)[C@@H](C)CN2CCOCC2)c(O)c1 ZINC000877484444 782086064 /nfs/dbraw/zinc/08/60/64/782086064.db2.gz AXLQFPZQINNLAG-AWEZNQCLSA-N 0 0 278.396 1.853 20 10 CDCDRN C[C@@H]1C[C@H](C(=O)NCCc2ccc(N)cc2)CCO1 ZINC000818545155 782091068 /nfs/dbraw/zinc/09/10/68/782091068.db2.gz MCPOOWUOZOTRST-DGCLKSJQSA-N 0 0 262.353 1.743 20 10 CDCDRN CC(C)NC(=O)CCCC(=O)NCCc1ccc(N)cc1 ZINC000236629548 327210310 /nfs/dbraw/zinc/21/03/10/327210310.db2.gz BCWBKEHGOCQSKB-UHFFFAOYSA-N 0 0 291.395 1.622 20 10 CDCDRN COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1cc(F)ccc1O ZINC000378502601 329053346 /nfs/dbraw/zinc/05/33/46/329053346.db2.gz VZBNPPZJURLZEW-STQMWFEESA-N 0 0 297.326 1.684 20 10 CDCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1CCCC(=O)N1 ZINC000515802146 330483439 /nfs/dbraw/zinc/48/34/39/330483439.db2.gz KXKKOIKMLYLOOW-CYBMUJFWSA-N 0 0 299.374 1.772 20 10 CDCDRN COc1ncc(/C=C/C(=O)N2CCOc3ccncc32)cn1 ZINC000492690598 332409897 /nfs/dbraw/zinc/40/98/97/332409897.db2.gz VKQCXUCMZUNTCC-NSCUHMNNSA-N 0 0 298.302 1.319 20 10 CDCDRN CCOCCONC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000185759094 1161305675 /nfs/dbraw/zinc/30/56/75/1161305675.db2.gz HWQBMZARATYTEK-UHFFFAOYSA-N 0 0 295.383 1.862 20 10 CDCDRN COC(=O)N1CC([NH2+][C@@H](C)c2ccc(F)cc2[O-])C1 ZINC000186137297 1161311480 /nfs/dbraw/zinc/31/14/80/1161311480.db2.gz BPYHTLQFKBUEHL-QMMMGPOBSA-N 0 0 268.288 1.633 20 10 CDCDRN CC(=O)C(=O)CSc1nnnn1Cc1cccs1 ZINC000289583926 519357071 /nfs/dbraw/zinc/35/70/71/519357071.db2.gz IZHQAFMCGLOQFJ-UHFFFAOYSA-N 0 0 282.350 1.033 20 10 CDCDRN CC(=O)OC(C)(C)C(=O)NCc1ccccc1O ZINC000275570557 519754587 /nfs/dbraw/zinc/75/45/87/519754587.db2.gz IGEHSRLIYASYIH-UHFFFAOYSA-N 0 0 251.282 1.350 20 10 CDCDRN CC(C)OCCC(=O)NCCc1ccc(N)cc1 ZINC000236788791 519755528 /nfs/dbraw/zinc/75/55/28/519755528.db2.gz RRJKDJNDAYSUNR-UHFFFAOYSA-N 0 0 250.342 1.743 20 10 CDCDRN CC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)CC[C@H]1O ZINC000275821060 520417043 /nfs/dbraw/zinc/41/70/43/520417043.db2.gz JTNJFCUWXCUHOA-YVARQFDVSA-N 0 0 291.347 1.730 20 10 CDCDRN CCOC(=O)[C@@H](C)NCc1cc(OC)ccc1O ZINC000049369208 521022808 /nfs/dbraw/zinc/02/28/08/521022808.db2.gz BZRZXTWKICUQEO-SECBINFHSA-N 0 0 253.298 1.442 20 10 CDCDRN CCOc1ccc(N(CC)CC(=O)N2CCOCC2)cc1 ZINC000299405104 521025173 /nfs/dbraw/zinc/02/51/73/521025173.db2.gz NBEOJQZENCRRAU-UHFFFAOYSA-N 0 0 292.379 1.770 20 10 CDCDRN CCOc1ccc(O)c(CN2CC(=O)N(CCOC)C2)c1 ZINC000283018384 521142037 /nfs/dbraw/zinc/14/20/37/521142037.db2.gz MBXYVOZJMPYGNY-UHFFFAOYSA-N 0 0 294.351 1.039 20 10 CDCDRN CCNC(=O)CCCC(=O)NCc1ccc(N(C)C)cc1 ZINC000104018735 521734844 /nfs/dbraw/zinc/73/48/44/521734844.db2.gz DEHVOUTZJIKGFO-UHFFFAOYSA-N 0 0 291.395 1.675 20 10 CDCDRN CN(C)c1ccc(CNC(=O)NC[C@@H](O)C2CC2)cc1F ZINC000264255018 522198239 /nfs/dbraw/zinc/19/82/39/522198239.db2.gz ZISXZQOXVSYSGI-CQSZACIVSA-N 0 0 295.358 1.462 20 10 CDCDRN COC[C@@H](NC(=O)NCc1ccccc1O)[C@H]1CCCO1 ZINC000279555248 522333904 /nfs/dbraw/zinc/33/39/04/522333904.db2.gz RSBXQRVOWGCTRU-TZMCWYRMSA-N 0 0 294.351 1.385 20 10 CDCDRN COc1cc(Cl)cc(CN2CC(=O)N(C3CC3)C2)c1O ZINC000280584153 522538100 /nfs/dbraw/zinc/53/81/00/522538100.db2.gz WWTCTYKUWMTFIX-UHFFFAOYSA-N 0 0 296.754 1.818 20 10 CDCDRN COC[C@H](NC(=O)c1cccc(O)c1O)[C@H]1CCCO1 ZINC000279460509 522728040 /nfs/dbraw/zinc/72/80/40/522728040.db2.gz MQDHWIRWFYENPF-CMPLNLGQSA-N 0 0 281.308 1.022 20 10 CDCDRN COCCC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278880624 523375403 /nfs/dbraw/zinc/37/54/03/523375403.db2.gz ODIMALSDOGJDIK-UHFFFAOYSA-N 0 0 270.285 1.435 20 10 CDCDRN COC(=O)[C@@H](NCc1cccc(OC)c1O)C1CC1 ZINC000276547292 523635434 /nfs/dbraw/zinc/63/54/34/523635434.db2.gz YQBRJGOORSKSCF-LBPRGKRZSA-N 0 0 265.309 1.442 20 10 CDCDRN COC(=O)[C@H]1CCN(C(=O)c2cccc(O)c2O)C[C@@H]1C ZINC000276626581 523961330 /nfs/dbraw/zinc/96/13/30/523961330.db2.gz PAZANSQDTRJASR-UWVGGRQHSA-N 0 0 293.319 1.369 20 10 CDCDRN CNC(=O)C1CCC(NC(=O)c2cccc(O)c2O)CC1 ZINC000275094346 524047887 /nfs/dbraw/zinc/04/78/87/524047887.db2.gz HNXCOXRARSADSR-UHFFFAOYSA-N 0 0 292.335 1.132 20 10 CDCDRN C[C@H]1COCC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000278455174 524727470 /nfs/dbraw/zinc/72/74/70/524727470.db2.gz IQFUVPFGSDKXKF-BIZURNDZSA-N 0 0 277.320 1.652 20 10 CDCDRN CS(=O)(=O)NCc1cccc(Br)c1O ZINC000277480634 525207401 /nfs/dbraw/zinc/20/74/01/525207401.db2.gz MFLWCVXGNLSVJF-UHFFFAOYSA-N 0 0 280.143 1.204 20 10 CDCDRN C[C@]1(CNC(=O)Cc2ccc(N)cc2)CCCC[C@@H]1O ZINC000237780927 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HWOJZEAUWIXFMF-RMKKPPKKSA-N 0 0 289.331 1.748 20 10 CDCDRN COc1cccc(CNC(=O)NC[C@H]2CC[C@H](C)O2)c1O ZINC000838744976 936887955 /nfs/dbraw/zinc/88/79/55/936887955.db2.gz MTSFDHKZRSVGAG-CMPLNLGQSA-N 0 0 294.351 1.768 20 10 CDCDRN O=C1CCC(S(=O)(=O)Nc2ccc(O)cc2O)CC1 ZINC001194750101 924323539 /nfs/dbraw/zinc/32/35/39/924323539.db2.gz XFUQSEPQTZHVCH-UHFFFAOYSA-N 0 0 285.321 1.351 20 10 CDCDRN CO[C@H]1CCC[C@H]1CNC(=O)C1=CC(=O)CS1 ZINC000775617856 924377690 /nfs/dbraw/zinc/37/76/90/924377690.db2.gz LQSKXTWIJIPKGT-WPRPVWTQSA-N 0 0 255.339 1.999 20 10 CDCDRN CCCN1C[C@@H](C(=O)NCc2ccccc2O)CC1=O ZINC000839611968 936916521 /nfs/dbraw/zinc/91/65/21/936916521.db2.gz LKBMUICMHGONHZ-LBPRGKRZSA-N 0 0 276.336 1.267 20 10 CDCDRN Cc1cccc(CN(C)Cc2nnc3n2CCC3)c1O ZINC000775645572 924497256 /nfs/dbraw/zinc/49/72/56/924497256.db2.gz OLMILIVZLOKPLX-UHFFFAOYSA-N 0 0 272.352 1.870 20 10 CDCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CO ZINC000840555524 936953527 /nfs/dbraw/zinc/95/35/27/936953527.db2.gz 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/nfs/dbraw/zinc/02/53/93/937025393.db2.gz SOFAAPGRJVGUBS-ZIAGYGMSSA-N 0 0 277.368 1.414 20 10 CDCDRN O=C(NC[C@@H](O)c1ccc(O)c(O)c1)Nc1ccccc1 ZINC001201945617 926437091 /nfs/dbraw/zinc/43/70/91/926437091.db2.gz NCLOANJKZLLKFX-CQSZACIVSA-N 0 0 288.303 1.953 20 10 CDCDRN C[C@@H](NC(=O)N1CC[C@@](C)(O)C1)c1ccc(N(C)C)cc1 ZINC000776250211 926483158 /nfs/dbraw/zinc/48/31/58/926483158.db2.gz SOUCYTJXKWYBRQ-MLGOLLRUSA-N 0 0 291.395 1.980 20 10 CDCDRN Cc1nnc([C@H](C)OC(=O)c2cccc(O)c2O)o1 ZINC000776278646 926543208 /nfs/dbraw/zinc/54/32/08/926543208.db2.gz CODXEOOZVPQHQR-LURJTMIESA-N 0 0 264.237 1.707 20 10 CDCDRN Nc1ccc(NC(=O)C(=O)N2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000843049917 937107144 /nfs/dbraw/zinc/10/71/44/937107144.db2.gz YOLNNHZXWFKPGS-FZMZJTMJSA-N 0 0 287.363 1.998 20 10 CDCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc[nH]1 ZINC000065420403 927169956 /nfs/dbraw/zinc/16/99/56/927169956.db2.gz AJMHTSJOWTWERZ-UHFFFAOYSA-N 0 0 285.347 1.781 20 10 CDCDRN C[C@@H](Sc1ncc(Cl)s1)C(=O)N1CCNC1=O ZINC000849997990 927353912 /nfs/dbraw/zinc/35/39/12/927353912.db2.gz ILMGCDZDXNOAFJ-RXMQYKEDSA-N 0 0 291.785 1.829 20 10 CDCDRN CCN1CCN(C(=O)Cc2ccc(N)cc2)C(C)(C)C1=O ZINC000843499881 937156431 /nfs/dbraw/zinc/15/64/31/937156431.db2.gz YEQMFLJDVQTMBF-UHFFFAOYSA-N 0 0 289.379 1.281 20 10 CDCDRN CCn1cc(CNCc2ccc(N(C)C)c(F)c2)nn1 ZINC000850366396 927420754 /nfs/dbraw/zinc/42/07/54/927420754.db2.gz XUUDTVRSXCQIIA-UHFFFAOYSA-N 0 0 277.347 1.793 20 10 CDCDRN Nc1ccc(NC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]23)cc1 ZINC000851633612 927593989 /nfs/dbraw/zinc/59/39/89/927593989.db2.gz OSMZFFGHBJAZFC-MJBXVCDLSA-N 0 0 287.363 1.902 20 10 CDCDRN COC(C)(C)CN(C)C(=O)c1ccc(C)c(O)c1O ZINC000780968338 937207687 /nfs/dbraw/zinc/20/76/87/937207687.db2.gz ICYHDCVRUIFHGB-UHFFFAOYSA-N 0 0 267.325 1.903 20 10 CDCDRN Cc1ccc(C(=O)N2CCCOC[C@@H]2C)c(O)c1O ZINC000780987861 937208654 /nfs/dbraw/zinc/20/86/54/937208654.db2.gz ZSJRNMJLZCTYIA-JTQLQIEISA-N 0 0 265.309 1.657 20 10 CDCDRN C[NH2+]C[C@@H](C)NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000853249559 927992348 /nfs/dbraw/zinc/99/23/48/927992348.db2.gz REVFGRPCOIEMKK-SSDOTTSWSA-N 0 0 273.720 1.651 20 10 CDCDRN CC1=NO[C@H](C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000854271039 928178636 /nfs/dbraw/zinc/17/86/36/928178636.db2.gz VFRZEMFISGDLKT-ZDUSSCGKSA-N 0 0 261.325 1.534 20 10 CDCDRN O=C(NCc1ccccc1O)c1cnc2cccnn21 ZINC001150536968 937236283 /nfs/dbraw/zinc/23/62/83/937236283.db2.gz WGQBACBPFSVIPC-UHFFFAOYSA-N 0 0 268.276 1.365 20 10 CDCDRN C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C1(CO)CC1 ZINC000855480300 928426054 /nfs/dbraw/zinc/42/60/54/928426054.db2.gz GEHNAJIWAKQRSY-ATPLWMGHSA-N 0 0 277.320 1.388 20 10 CDCDRN Cn1cc(C(=O)NCc2cc(Cl)ccc2O)nn1 ZINC000857548587 928720433 /nfs/dbraw/zinc/72/04/33/928720433.db2.gz PHWHLTLXOJUNJH-UHFFFAOYSA-N 0 0 266.688 1.104 20 10 CDCDRN O=C(Cc1cc[nH]n1)NCc1cc(Cl)ccc1O ZINC000857547575 928720615 /nfs/dbraw/zinc/72/06/15/928720615.db2.gz KQQALJPTJXXJPG-UHFFFAOYSA-N 0 0 265.700 1.628 20 10 CDCDRN O=C(NCc1cc(Cl)ccc1O)c1nnc[nH]1 ZINC000857547628 928720976 /nfs/dbraw/zinc/72/09/76/928720976.db2.gz NBRJOBZIVBFEFL-UHFFFAOYSA-N 0 0 252.661 1.094 20 10 CDCDRN Cc1ccc(O)c(CNC(=O)N[C@H](C)[C@@H]2CCOC2)c1 ZINC000858251383 928827591 /nfs/dbraw/zinc/82/75/91/928827591.db2.gz WGPLFCNXVINGNX-VXGBXAGGSA-N 0 0 278.352 1.925 20 10 CDCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2CCCN(C)C2=O)c1 ZINC000858284936 928831644 /nfs/dbraw/zinc/83/16/44/928831644.db2.gz DJDUCGWKMVMHQR-LBPRGKRZSA-N 0 0 291.351 1.121 20 10 CDCDRN O=c1cc2[nH]c(NCc3ccc(O)c(O)c3)ccc-2[nH]1 ZINC001169994444 928896100 /nfs/dbraw/zinc/89/61/00/928896100.db2.gz AKEDRTXUQZBVFT-UHFFFAOYSA-N 0 0 271.276 1.600 20 10 CDCDRN COC(=O)CCCCOC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000859600953 929036895 /nfs/dbraw/zinc/03/68/95/929036895.db2.gz NRXGVHHAZLLJFE-VURMDHGXSA-N 0 0 294.303 1.998 20 10 CDCDRN O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCc2n[nH]cc2C1 ZINC001151777884 937305346 /nfs/dbraw/zinc/30/53/46/937305346.db2.gz YLTLSDZBSXZYHX-NSHDSACASA-N 0 0 287.319 1.037 20 10 CDCDRN Cn1ncc(C(=O)NCCCSc2nccs2)n1 ZINC000786159017 929202897 /nfs/dbraw/zinc/20/28/97/929202897.db2.gz JWMHEWBPJBWDQK-UHFFFAOYSA-N 0 0 283.382 1.184 20 10 CDCDRN C[C@H](C(=O)NCc1cc(Cl)ccc1O)[C@@H]1CCC(=O)N1 ZINC000862130249 929378677 /nfs/dbraw/zinc/37/86/77/929378677.db2.gz DNSUCZAUXJNWJK-KWQFWETISA-N 0 0 296.754 1.577 20 10 CDCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)NC(=O)C(C)(C)C)c1 ZINC000862759760 929464803 /nfs/dbraw/zinc/46/48/03/929464803.db2.gz KRKFJFZPNVZQJX-NSHDSACASA-N 0 0 292.379 1.868 20 10 CDCDRN Cc1ccc(O)c(CNC(=O)CCCNC(=O)C2CC2)c1 ZINC000862759710 929465027 /nfs/dbraw/zinc/46/50/27/929465027.db2.gz JOVOXHSRRCRKCL-UHFFFAOYSA-N 0 0 290.363 1.623 20 10 CDCDRN C[C@@H]1OC(=O)N[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000788531351 929552076 /nfs/dbraw/zinc/55/20/76/929552076.db2.gz SGMQDYGXXBFTKW-QPUJVOFHSA-N 0 0 295.314 1.005 20 10 CDCDRN C[C@@H]([NH2+]C[C@H]1COCCN1)c1cc(F)cc(F)c1[O-] ZINC000863544675 929568175 /nfs/dbraw/zinc/56/81/75/929568175.db2.gz BEENQJCWRIRBDK-SCZZXKLOSA-N 0 0 272.295 1.309 20 10 CDCDRN 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CDCDRN CC(C)(O)CCC(=O)NCc1ccc(O)cc1O ZINC000910948127 629126950 /nfs/dbraw/zinc/12/69/50/629126950.db2.gz UUAFERNRHCGWBC-UHFFFAOYSA-N 0 0 253.298 1.265 20 10 CDCDRN CCCS(=O)(=O)NCc1cccc(OC)c1O ZINC000151302492 630459105 /nfs/dbraw/zinc/45/91/05/630459105.db2.gz VIHZGFSOWLAZNJ-UHFFFAOYSA-N 0 0 259.327 1.230 20 10 CDCDRN CCOCCOCCNC(=O)NCc1ccccc1O ZINC000915524822 631758119 /nfs/dbraw/zinc/75/81/19/631758119.db2.gz JWCJWLHVGIGGKL-UHFFFAOYSA-N 0 0 282.340 1.245 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)CCn1ccccc1=O ZINC000917311226 632192676 /nfs/dbraw/zinc/19/26/76/632192676.db2.gz URGVRMDOIWAPGY-UHFFFAOYSA-N 0 0 286.331 1.603 20 10 CDCDRN COc1ccc(N(C)CCN2C(=O)CCC2=O)cc1OC ZINC000920781166 632833916 /nfs/dbraw/zinc/83/39/16/632833916.db2.gz JYGKTFAZAHTKLV-UHFFFAOYSA-N 0 0 292.335 1.289 20 10 CDCDRN COc1cnc(C)nc1NCC(=O)c1ccc(O)c(O)c1 ZINC001170316232 1162335985 /nfs/dbraw/zinc/33/59/85/1162335985.db2.gz OMCCEOWNLINGJF-UHFFFAOYSA-N 0 0 289.291 1.500 20 10 CDCDRN Cn1cnc2ccnc(NCC(=O)c3ccc(O)c(O)c3)c21 ZINC001170316196 1162336191 /nfs/dbraw/zinc/33/61/91/1162336191.db2.gz BNSDUNBUYPRFOV-UHFFFAOYSA-N 0 0 298.302 1.674 20 10 CDCDRN COc1ccc(CNC(=O)NO[C@H]2CCCCO2)c(O)c1 ZINC000793159413 1162394527 /nfs/dbraw/zinc/39/45/27/1162394527.db2.gz OCBNPHFIDKHJGY-ZDUSSCGKSA-N 0 0 296.323 1.658 20 10 CDCDRN CCN(Cc1cc(C)ccc1O)[C@@H](C)CS(C)(=O)=O ZINC000093391185 1159675275 /nfs/dbraw/zinc/67/52/75/1159675275.db2.gz GZQYVDSNDCGPLL-LBPRGKRZSA-N 0 0 285.409 1.956 20 10 CDCDRN CC1=NO[C@](C)(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)C1 ZINC001120628612 1161039311 /nfs/dbraw/zinc/03/93/11/1161039311.db2.gz GZXOUQGNHDAFMH-VFZGTOFNSA-N 0 0 292.335 1.700 20 10 CDCDRN Oc1cccc(F)c1CN1CCN(c2cccnn2)CC1 ZINC001137837679 1161522387 /nfs/dbraw/zinc/52/23/87/1161522387.db2.gz QRZUOAXYDRSTRR-UHFFFAOYSA-N 0 0 288.326 1.644 20 10 CDCDRN Cc1nn[nH]c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000790038129 1162121612 /nfs/dbraw/zinc/12/16/12/1162121612.db2.gz YFYXNXVEYVEYEH-SECBINFHSA-N 0 0 273.340 1.670 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)NCCO[C@@H]1CCOC1 ZINC000927513556 1166754133 /nfs/dbraw/zinc/75/41/33/1166754133.db2.gz ZQOIWHDPYBBBRO-CYBMUJFWSA-N 0 0 294.351 1.339 20 10 CDCDRN O=C(NCc1ccccc1O)[C@H]1NCCOc2ccccc21 ZINC001580722340 1172522674 /nfs/dbraw/zinc/52/26/74/1172522674.db2.gz YFCCCYOHJANGFE-INIZCTEOSA-N 0 0 298.342 1.732 20 10 CDCDRN C[C@@H]([NH2+]CC1CC1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589974987 1173217547 /nfs/dbraw/zinc/21/75/47/1173217547.db2.gz DPPVNOOPVKYDSM-MRVPVSSYSA-N 0 0 259.313 1.633 20 10 CDCDRN CC[C@@H]([NH2+]C/C=C/CO)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001590467352 1173418272 /nfs/dbraw/zinc/41/82/72/1173418272.db2.gz PSVBLJFCMNRJTO-AAOUONPWSA-N 0 0 289.339 1.162 20 10 CDCDRN O=C([O-])CC1CC([NH2+]Cc2c([O-])cccc2F)C1 ZINC001601946653 1175080839 /nfs/dbraw/zinc/08/08/39/1175080839.db2.gz OAAXOHREFUDELA-UHFFFAOYSA-N 0 0 253.273 1.874 20 10 CDCDRN C[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001603695266 1175600748 /nfs/dbraw/zinc/60/07/48/1175600748.db2.gz JPFGAOHEZUFAJK-KXUCPTDWSA-N 0 0 291.355 1.382 20 10 CDCDRN Cn1cnc(CNCc2ccc(N3CCCC3)cc2)n1 ZINC000218952512 1177897126 /nfs/dbraw/zinc/89/71/26/1177897126.db2.gz WKHDKPQNCPMKSM-UHFFFAOYSA-N 0 0 271.368 1.705 20 10 CDCDRN Cc1nn(C)cc1CCC(=O)Nc1ccc(N)cc1 ZINC000160387928 1178408515 /nfs/dbraw/zinc/40/85/15/1178408515.db2.gz AOKGRHVBZAXSAU-UHFFFAOYSA-N 0 0 258.325 1.882 20 10 CDCDRN COc1cccc(O)c1CN1CC[C@@H](CS(C)(=O)=O)C1 ZINC000814175504 1164056274 /nfs/dbraw/zinc/05/62/74/1164056274.db2.gz JRMCZVDSTLDINY-LLVKDONJSA-N 0 0 299.392 1.267 20 10 CDCDRN C[C@@H](NS(=O)(=O)N1CCCC1)c1ccccc1O ZINC000867833898 1164872541 /nfs/dbraw/zinc/87/25/41/1164872541.db2.gz GQCDECJDRRZXKG-SNVBAGLBSA-N 0 0 270.354 1.383 20 10 CDCDRN CCn1cnc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000831924335 822131126 /nfs/dbraw/zinc/13/11/26/822131126.db2.gz FZKYZYBILVVMDX-SNVBAGLBSA-N 0 0 289.335 1.675 20 10 CDCDRN CCc1cccc(CN2CCOC[C@@H]2C(=O)OC)c1O ZINC000848883807 818054037 /nfs/dbraw/zinc/05/40/37/818054037.db2.gz CFIZOSBOONSTIV-CYBMUJFWSA-N 0 0 279.336 1.328 20 10 CDCDRN COc1ccc(CNC(=O)[C@H]2CC2(F)F)c(O)c1 ZINC000831032326 818078692 /nfs/dbraw/zinc/07/86/92/818078692.db2.gz CCGYPDNEIOCKAA-SECBINFHSA-N 0 0 257.236 1.672 20 10 CDCDRN C[C@@H]1NC(=O)N(CCCSc2nccs2)C1=O ZINC000777649071 818084667 /nfs/dbraw/zinc/08/46/67/818084667.db2.gz CLDJPTPYQYFCJR-ZETCQYMHSA-N 0 0 271.367 1.566 20 10 CDCDRN O=C(N[C@H](CO)CC(F)(F)F)C1=CC(=O)CS1 ZINC000778513202 818145482 /nfs/dbraw/zinc/14/54/82/818145482.db2.gz YSEUSYRXOMPCCQ-YFKPBYRVSA-N 0 0 269.244 1.497 20 10 CDCDRN COc1c([O-])c(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)ccc1[N+](=O)[O-] ZINC000278304598 818206300 /nfs/dbraw/zinc/20/63/00/818206300.db2.gz DIFUQWDHGGBHBJ-FOGDFJRCSA-N 0 0 294.307 1.719 20 10 CDCDRN COC[C@H]1CN(Cc2cc(OC)c(C)cc2O)CCO1 ZINC000179445000 818251642 /nfs/dbraw/zinc/25/16/42/818251642.db2.gz XWXOGLCRPMQCFP-CYBMUJFWSA-N 0 0 281.352 1.556 20 10 CDCDRN CCN(C)C(=O)[C@@H](NC(=O)Nc1ccc(N)cc1)C(C)C ZINC000841298757 818289241 /nfs/dbraw/zinc/28/92/41/818289241.db2.gz FODLUYYMQBIMEC-ZDUSSCGKSA-N 0 0 292.383 1.893 20 10 CDCDRN CC[C@@H](C)[C@H](O)CNC(=O)NCCc1ccc(N)cc1 ZINC000841954019 818392088 /nfs/dbraw/zinc/39/20/88/818392088.db2.gz HPLDKEKDDOISMC-BXUZGUMPSA-N 0 0 279.384 1.518 20 10 CDCDRN C[C@@H]1CN(Cc2ccc(Br)cc2O)CC(=O)N1 ZINC000826064528 818394731 /nfs/dbraw/zinc/39/47/31/818394731.db2.gz LBFUXUNOVYWSTM-MRVPVSSYSA-N 0 0 299.168 1.475 20 10 CDCDRN CCNC(=O)NC(=O)[C@H](C)N(C)c1ccc(OC)c(F)c1 ZINC000156859375 818397043 /nfs/dbraw/zinc/39/70/43/818397043.db2.gz LJGOKHKFLVDXEI-VIFPVBQESA-N 0 0 297.330 1.505 20 10 CDCDRN Nc1ccc(CCNC(=O)COCc2cccnc2)cc1 ZINC000863584727 818519657 /nfs/dbraw/zinc/51/96/57/818519657.db2.gz IBELHYASINYSKW-UHFFFAOYSA-N 0 0 285.347 1.539 20 10 CDCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC(=O)C1 ZINC000843851521 818524011 /nfs/dbraw/zinc/52/40/11/818524011.db2.gz NGSLLWPXYIGRRG-KOLCDFICSA-N 0 0 277.320 1.514 20 10 CDCDRN COC(=O)c1cnc(NCc2cccc(OC)c2O)nc1 ZINC000804425340 818560930 /nfs/dbraw/zinc/56/09/30/818560930.db2.gz WFXKQMKUNPFRIB-UHFFFAOYSA-N 0 0 289.291 1.590 20 10 CDCDRN CCCCN(CCO)C(=O)NCCc1ccc(N)cc1 ZINC000841961754 818620414 /nfs/dbraw/zinc/62/04/14/818620414.db2.gz HQZNKVSGMUAXQV-UHFFFAOYSA-N 0 0 279.384 1.615 20 10 CDCDRN CN(C)c1ccc(CNC(=O)C2CSC2)cc1 ZINC000864574689 818620433 /nfs/dbraw/zinc/62/04/33/818620433.db2.gz DNQFFVMBLDVCHQ-UHFFFAOYSA-N 0 0 250.367 1.732 20 10 CDCDRN Cc1cc(OCC(=O)NCc2ccccc2O)no1 ZINC000701136078 818623889 /nfs/dbraw/zinc/62/38/89/818623889.db2.gz MITSKYVHXRIVQI-UHFFFAOYSA-N 0 0 262.265 1.384 20 10 CDCDRN COCCCNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000171409148 818638086 /nfs/dbraw/zinc/63/80/86/818638086.db2.gz LBMCAERBWWVIMB-JTQLQIEISA-N 0 0 282.340 1.798 20 10 CDCDRN CS(=O)(=O)CCCCNC(=O)C1=CC(=O)CS1 ZINC000822376236 818646233 /nfs/dbraw/zinc/64/62/33/818646233.db2.gz PWVPBULZPDUQRW-UHFFFAOYSA-N 0 0 277.367 1.008 20 10 CDCDRN CN(C)c1ccc(CNC(=O)Cc2cncc(O)c2)cc1 ZINC000848367401 818652509 /nfs/dbraw/zinc/65/25/09/818652509.db2.gz IOYDUQRBKAYCAY-UHFFFAOYSA-N 0 0 285.347 1.712 20 10 CDCDRN COc1cccc(CNC(=O)[C@@H]2CC(C)=NO2)c1O ZINC000830541474 818667795 /nfs/dbraw/zinc/66/77/95/818667795.db2.gz YNQVFZBNJMDZHC-NSHDSACASA-N 0 0 264.281 1.182 20 10 CDCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC[C@H]2O)c1 ZINC000818358311 818669954 /nfs/dbraw/zinc/66/99/54/818669954.db2.gz UHAFIMZKCSJFEK-RLCGTCKNSA-N 0 0 265.309 1.353 20 10 CDCDRN COc1ccc(O)c(CNc2cc(OC)ncn2)c1 ZINC000811806473 818710968 /nfs/dbraw/zinc/71/09/68/818710968.db2.gz YPWRLECNYRNPHK-UHFFFAOYSA-N 0 0 261.281 1.812 20 10 CDCDRN CON(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000858579574 818737715 /nfs/dbraw/zinc/73/77/15/818737715.db2.gz FYPZXPHDSVZKAG-BDAKNGLRSA-N 0 0 270.304 1.590 20 10 CDCDRN COCC(COC)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886620693 818800915 /nfs/dbraw/zinc/80/09/15/818800915.db2.gz QEOXOKNCRQGHHL-SECBINFHSA-N 0 0 257.305 1.843 20 10 CDCDRN COC(=O)[C@H](CC(F)F)NCc1cc(C)ccc1O ZINC000789582506 818813892 /nfs/dbraw/zinc/81/38/92/818813892.db2.gz RUAGSZKMCGMWSU-JTQLQIEISA-N 0 0 273.279 1.987 20 10 CDCDRN CC1(C)OC[C@@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)O1 ZINC000779533583 818822010 /nfs/dbraw/zinc/82/20/10/818822010.db2.gz YWJZKEGCKMSFRS-VLWUPBBWSA-N 0 0 293.319 1.379 20 10 CDCDRN COC(=O)[C@@H](C)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866339 818832424 /nfs/dbraw/zinc/83/24/24/818832424.db2.gz RBJUUFWGFAHYQM-LLVKDONJSA-N 0 0 296.342 1.518 20 10 CDCDRN CCSC1(CNC(=O)C(=O)Nc2ccc(N)cc2)CC1 ZINC000850853427 818845243 /nfs/dbraw/zinc/84/52/43/818845243.db2.gz UAPWQCDJRSSRNS-UHFFFAOYSA-N 0 0 293.392 1.609 20 10 CDCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1=CCOCC1 ZINC000793796477 818848470 /nfs/dbraw/zinc/84/84/70/818848470.db2.gz KNFNBLUTLNCFPB-JTQLQIEISA-N 0 0 277.320 1.492 20 10 CDCDRN O=C(/C=C/c1cccnc1)NCc1ccc(O)c(O)c1 ZINC000158871855 818861582 /nfs/dbraw/zinc/86/15/82/818861582.db2.gz CTFWMTMIRRIWFG-GQCTYLIASA-N 0 0 270.288 1.822 20 10 CDCDRN COc1ccc(C[NH2+][C@@H](C)C[C@H]2CCCC(=O)N2)c(O)c1 ZINC000877493156 818863131 /nfs/dbraw/zinc/86/31/31/818863131.db2.gz HICZICCLEVNJDM-WCQYABFASA-N 0 0 292.379 1.938 20 10 CDCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCCO2)c1 ZINC000171409039 818926610 /nfs/dbraw/zinc/92/66/10/818926610.db2.gz ZAHOHABRPVWIPQ-JQWIXIFHSA-N 0 0 294.351 1.940 20 10 CDCDRN Nc1ccc(OCc2cn(CCCF)nn2)cc1 ZINC000881198243 818960711 /nfs/dbraw/zinc/96/07/11/818960711.db2.gz LMUOZDCKMJVKPZ-UHFFFAOYSA-N 0 0 250.277 1.799 20 10 CDCDRN CCCNC(=O)NC(=O)CN(C)c1ccc(OC)cc1 ZINC000844353618 819009469 /nfs/dbraw/zinc/00/94/69/819009469.db2.gz SBOYPHAETLEKEH-UHFFFAOYSA-N 0 0 279.340 1.367 20 10 CDCDRN Cc1ccc(CN2C[C@@H](C)S(=O)(=O)[C@@H](C)C2)c(O)c1 ZINC000877542790 819013112 /nfs/dbraw/zinc/01/31/12/819013112.db2.gz RQDKIPKKZPBMHK-TXEJJXNPSA-N 0 0 283.393 1.708 20 10 CDCDRN COc1cc(O)c(CN2CCn3nncc3C2)cc1OC ZINC000848494325 819020889 /nfs/dbraw/zinc/02/08/89/819020889.db2.gz VBSQLYHUZSTTRQ-UHFFFAOYSA-N 0 0 290.323 1.017 20 10 CDCDRN CCOCCO[C@H](C)C(=O)NCc1cc(C)ccc1O ZINC000862758923 819030006 /nfs/dbraw/zinc/03/00/06/819030006.db2.gz QMRFCQUWHOJCPJ-GFCCVEGCSA-N 0 0 281.352 1.758 20 10 CDCDRN Cn1cnc(/C=C\C(=O)N2CCCn3nccc32)c1 ZINC000931494786 819062398 /nfs/dbraw/zinc/06/23/98/819062398.db2.gz RSFTVCGERWTMSG-ARJAWSKDSA-N 0 0 257.297 1.067 20 10 CDCDRN CCc1cc(O)ccc1NS(=O)(=O)C[C@H]1CCCO1 ZINC000790416065 819076099 /nfs/dbraw/zinc/07/60/99/819076099.db2.gz NXQXZFCXMKNPQT-GFCCVEGCSA-N 0 0 285.365 1.875 20 10 CDCDRN CCOc1cc(C(=O)NCc2cc(OC)ccc2O)on1 ZINC000825838991 819119223 /nfs/dbraw/zinc/11/92/23/819119223.db2.gz JMMZXDGOQBPUET-UHFFFAOYSA-N 0 0 292.291 1.718 20 10 CDCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCCNC1=O ZINC000865904513 819177395 /nfs/dbraw/zinc/17/73/95/819177395.db2.gz NYWHDPBQYOWFFM-CQSZACIVSA-N 0 0 289.379 1.203 20 10 CDCDRN COc1ccc(O)c(CN[C@H](C)c2ncnn2C)c1 ZINC000789595591 819180743 /nfs/dbraw/zinc/18/07/43/819180743.db2.gz WGXZLWNZYVAHBV-SECBINFHSA-N 0 0 262.313 1.380 20 10 CDCDRN CN(C)C[C@@](C)(O)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708534561 819203871 /nfs/dbraw/zinc/20/38/71/819203871.db2.gz AHLDGBNUOGFDPW-ZDUSSCGKSA-N 0 0 274.311 1.073 20 10 CDCDRN CO[C@@]1(C[NH2+][C@H](C)c2ccc(F)cc2[O-])CCOC1 ZINC000123284544 819214620 /nfs/dbraw/zinc/21/46/20/819214620.db2.gz ZFJCQGSPRHEQRK-QMTHXVAHSA-N 0 0 269.316 1.987 20 10 CDCDRN C[C@H](Cn1ccnc1)NC(=O)c1cccc(O)c1O ZINC000126308236 819285162 /nfs/dbraw/zinc/28/51/62/819285162.db2.gz JDQDMAGOXCLXBP-SECBINFHSA-N 0 0 261.281 1.113 20 10 CDCDRN CN(C)c1ccc(CNc2ccc3nncn3n2)cc1 ZINC000883998432 819399492 /nfs/dbraw/zinc/39/94/92/819399492.db2.gz QSBRZGJUYDILON-UHFFFAOYSA-N 0 0 268.324 1.802 20 10 CDCDRN COc1c([O-])c(C[NH2+][C@]2(C)CCOC2)ccc1[N+](=O)[O-] ZINC000775040154 819414513 /nfs/dbraw/zinc/41/45/13/819414513.db2.gz QIQGPNSKDWHURD-CYBMUJFWSA-N 0 0 282.296 1.578 20 10 CDCDRN COc1cccc(CNC(=O)N[C@H]2CO[C@@H](C)C2)c1O ZINC000828427667 819508514 /nfs/dbraw/zinc/50/85/14/819508514.db2.gz POXMBCTYKWZPDM-GXSJLCMTSA-N 0 0 280.324 1.377 20 10 CDCDRN Cc1cc(O)ccc1NS(=O)(=O)C[C@H]1CCCO1 ZINC000080357946 819523499 /nfs/dbraw/zinc/52/34/99/819523499.db2.gz RXKJXWOZRLGJFP-LLVKDONJSA-N 0 0 271.338 1.621 20 10 CDCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000883135161 819568693 /nfs/dbraw/zinc/56/86/93/819568693.db2.gz WSLDCVMKGZCHFZ-BETUJISGSA-N 0 0 298.333 1.623 20 10 CDCDRN CCO[N-]C(=O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000846090827 819628180 /nfs/dbraw/zinc/62/81/80/819628180.db2.gz KDVILQWUUNDBSF-UHFFFAOYSA-N 0 0 274.320 1.703 20 10 CDCDRN CCN(C[C@@H]1CCOC1)C(=O)Cc1ccc(N)cc1 ZINC000037827202 819676168 /nfs/dbraw/zinc/67/61/68/819676168.db2.gz OYAMOOULVCHLFQ-ZDUSSCGKSA-N 0 0 262.353 1.696 20 10 CDCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1c[nH]c(C#N)c1 ZINC000186391208 819768838 /nfs/dbraw/zinc/76/88/38/819768838.db2.gz XUYNRERHLQHEKQ-SECBINFHSA-N 0 0 285.303 1.659 20 10 CDCDRN COc1ccc(CNC(=O)Cn2cc(Cl)cn2)c(O)c1 ZINC000807454438 819818913 /nfs/dbraw/zinc/81/89/13/819818913.db2.gz PMBASDHYZYSJFC-UHFFFAOYSA-N 0 0 295.726 1.567 20 10 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CDCDRN C[C@@H]1C(=O)NCCN1Cc1cc(Br)ccc1O ZINC000123386065 360283785 /nfs/dbraw/zinc/28/37/85/360283785.db2.gz INPBEMDCLDHEEJ-MRVPVSSYSA-N 0 0 299.168 1.475 20 10 CDCDRN CCOc1cccc(CN(C)CCS(C)(=O)=O)c1O ZINC000156087067 361715246 /nfs/dbraw/zinc/71/52/46/361715246.db2.gz YVNVFVWMTYAJBD-UHFFFAOYSA-N 0 0 287.381 1.267 20 10 CDCDRN CC(=O)N[C@@H](C(=O)NCc1ccccc1O)C1CCCC1 ZINC000269139577 364143818 /nfs/dbraw/zinc/14/38/18/364143818.db2.gz LKOZFOGBSAHBTQ-OAHLLOKOSA-N 0 0 290.363 1.703 20 10 CDCDRN COC(=O)C1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000272331412 365192709 /nfs/dbraw/zinc/19/27/09/365192709.db2.gz WOQUCHMGRKKGMN-UHFFFAOYSA-N 0 0 267.300 1.916 20 10 CDCDRN Oc1cc2c(cc1C[NH2+]CC1CCOCC1)OCO2 ZINC000110904302 365340496 /nfs/dbraw/zinc/34/04/96/365340496.db2.gz ZGUCLIVHBQLTFR-UHFFFAOYSA-N 0 0 265.309 1.637 20 10 CDCDRN C[C@@H]([NH2+][C@H]1CCCCNC1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273378346 365491216 /nfs/dbraw/zinc/49/12/16/365491216.db2.gz HTRMRGKYHNBKHC-SKDRFNHKSA-N 0 0 293.323 1.620 20 10 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C[C@H](C[C@H](C)O)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000783201692 838022397 /nfs/dbraw/zinc/02/23/97/838022397.db2.gz XIDXZUCEQDOADZ-MNOVXSKESA-N 0 0 297.374 1.850 20 10 CDCDRN Cc1nonc1CC(=O)N(C)Cc1ccccc1O ZINC000845792273 838083269 /nfs/dbraw/zinc/08/32/69/838083269.db2.gz SUVWQDKISGLFFU-UHFFFAOYSA-N 0 0 261.281 1.285 20 10 CDCDRN C[NH+](C)C[C@@H]1CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000782871455 838094305 /nfs/dbraw/zinc/09/43/05/838094305.db2.gz SOYCREFMAWISNP-VIFPVBQESA-N 0 0 254.355 1.477 20 10 CDCDRN C[C@H](O)[C@H]1CCCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000853244540 838123327 /nfs/dbraw/zinc/12/33/27/838123327.db2.gz NMCFJYCVMFSTIO-SWLSCSKDSA-N 0 0 291.395 1.807 20 10 CDCDRN C[C@H]1OCC[C@@H]1Cn1cc(COc2ccc(N)cc2)nn1 ZINC000881366311 838842409 /nfs/dbraw/zinc/84/24/09/838842409.db2.gz CGLUYFNAQWQQAE-VXGBXAGGSA-N 0 0 288.351 1.864 20 10 CDCDRN CN(C)c1cc(F)c(CN[C@@H]2C(=O)NCC2(C)C)cc1F ZINC000864052388 838883908 /nfs/dbraw/zinc/88/39/08/838883908.db2.gz JQWCKVLHDSILJI-CYBMUJFWSA-N 0 0 297.349 1.645 20 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297.351 1.115 20 10 CDCDRN COc1ccc(CNC(=O)N[C@H]2CO[C@H](C)C2)c(O)c1 ZINC000827617974 839205937 /nfs/dbraw/zinc/20/59/37/839205937.db2.gz MOPNLSPKIQJKSG-MWLCHTKSSA-N 0 0 280.324 1.377 20 10 CDCDRN CC(C)SCCNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841131067 839276973 /nfs/dbraw/zinc/27/69/73/839276973.db2.gz WJZWZBYZQBIOQW-UHFFFAOYSA-N 0 0 281.381 1.465 20 10 CDCDRN COC(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000928602995 839287589 /nfs/dbraw/zinc/28/75/89/839287589.db2.gz GMQASLOKNMUCMZ-JPVGGKMYSA-N 0 0 291.303 1.275 20 10 CDCDRN CN(CC(C)(C)C)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841028141 839296936 /nfs/dbraw/zinc/29/69/36/839296936.db2.gz BJJVMPSYNANDCZ-UHFFFAOYSA-N 0 0 263.341 1.712 20 10 CDCDRN COC[C@@H]1CN(Cc2c(O)cccc2OC)C[C@H](C)O1 ZINC000784668625 839367888 /nfs/dbraw/zinc/36/78/88/839367888.db2.gz SBQMTUYXAZESGX-RYUDHWBXSA-N 0 0 281.352 1.637 20 10 CDCDRN C[C@@H](NC(=O)[C@H]1CC[C@@H]1C(N)=O)c1ccccc1O ZINC000827946864 839551362 /nfs/dbraw/zinc/55/13/62/839551362.db2.gz TYLURIXSIUFJBN-MIMYLULJSA-N 0 0 262.309 1.081 20 10 CDCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCNC2=O)c1 ZINC000866762964 839626159 /nfs/dbraw/zinc/62/61/59/839626159.db2.gz ASYPJDZXOFLFQV-KOLCDFICSA-N 0 0 292.335 1.104 20 10 CDCDRN COC1(C)CN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000827583300 839630339 /nfs/dbraw/zinc/63/03/39/839630339.db2.gz HRGRJSDBGCJVDL-UHFFFAOYSA-N 0 0 255.245 1.098 20 10 CDCDRN CCCN1C[C@@H](C(=O)N[C@H](C)c2ccccc2O)CC1=O ZINC000827952464 839644744 /nfs/dbraw/zinc/64/47/44/839644744.db2.gz TXOUPPNWLLKWTE-NEPJUHHUSA-N 0 0 290.363 1.828 20 10 CDCDRN C[C@@H](N[C@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817940107 839650937 /nfs/dbraw/zinc/65/09/37/839650937.db2.gz FAVFDHZNFGVJTQ-ZJUUUORDSA-N 0 0 265.313 1.703 20 10 CDCDRN C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2O)CO1 ZINC000828419573 839689112 /nfs/dbraw/zinc/68/91/12/839689112.db2.gz FPRBBZPVKDDRIO-CMPLNLGQSA-N 0 0 264.325 1.711 20 10 CDCDRN O=C(COC(=O)[C@H]1CCCS1)c1ccc(O)c(O)c1 ZINC000783951442 839694287 /nfs/dbraw/zinc/69/42/87/839694287.db2.gz SWOYAJYRQGZYDF-GFCCVEGCSA-N 0 0 282.317 1.719 20 10 CDCDRN CC[C@H](CNC(=O)NCc1cc(OC)ccc1O)OC ZINC000812042747 839811601 /nfs/dbraw/zinc/81/16/01/839811601.db2.gz ADSZFIULWPEXPV-LLVKDONJSA-N 0 0 282.340 1.625 20 10 CDCDRN COCCN1CN(Cc2ccc(N(C)C)cc2)CC1=O ZINC000801602666 839840719 /nfs/dbraw/zinc/84/07/19/839840719.db2.gz TXMBEQUTFHTGET-UHFFFAOYSA-N 0 0 277.368 1.001 20 10 CDCDRN CCOc1ccc(C[NH2+]C[C@H]2CCOC[C@H]2OC)c(O)c1 ZINC000824709552 839868246 /nfs/dbraw/zinc/86/82/46/839868246.db2.gz RBCRTOASPLKSHX-CZUORRHYSA-N 0 0 295.379 1.932 20 10 CDCDRN C[C@@H](NC(=O)CS(=O)(=O)C(C)(C)C)c1ccccc1O ZINC000827940850 839889516 /nfs/dbraw/zinc/88/95/16/839889516.db2.gz JJWOCSRMJVOQDS-SNVBAGLBSA-N 0 0 299.392 1.783 20 10 CDCDRN Cc1noc(C(=O)NCc2ccc3c(c2)CCCN3C)n1 ZINC000791342147 839895871 /nfs/dbraw/zinc/89/58/71/839895871.db2.gz XKECGDQDBDCZDU-UHFFFAOYSA-N 0 0 286.335 1.690 20 10 CDCDRN CC(C)(CS(C)(=O)=O)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708555986 839950643 /nfs/dbraw/zinc/95/06/43/839950643.db2.gz RHCISEQEAPXXIL-UHFFFAOYSA-N 0 0 293.335 1.583 20 10 CDCDRN O=C(N[C@@H](CO)CC1CC1)c1c(F)ccc(O)c1O ZINC000830745175 840003830 /nfs/dbraw/zinc/00/38/30/840003830.db2.gz MQJLYSNMPJMSMJ-MRVPVSSYSA-N 0 0 269.272 1.128 20 10 CDCDRN COc1cccc(CNC(=O)NCc2ccccn2)c1O ZINC000158354040 840036974 /nfs/dbraw/zinc/03/69/74/840036974.db2.gz FNIAXRKLYMHRCR-UHFFFAOYSA-N 0 0 287.319 1.795 20 10 CDCDRN CC(C)[C@@H](CO)NC(=O)NCCc1ccc(N)cc1 ZINC000841959676 840045075 /nfs/dbraw/zinc/04/50/75/840045075.db2.gz ZLTNEPWTERZKGI-CYBMUJFWSA-N 0 0 265.357 1.127 20 10 CDCDRN COc1cccc(CN2CCS(=O)(=O)CC2(C)C)c1O ZINC000813331633 840075245 /nfs/dbraw/zinc/07/52/45/840075245.db2.gz OVSLBCWIGSRNGO-UHFFFAOYSA-N 0 0 299.392 1.410 20 10 CDCDRN O=C(CCc1cn[nH]c1)NCCc1ccc(O)c(O)c1 ZINC000863897575 840211123 /nfs/dbraw/zinc/21/11/23/840211123.db2.gz NTJRALMEEPUNCP-UHFFFAOYSA-N 0 0 275.308 1.112 20 10 CDCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC(=O)N(C)C2)c1 ZINC000103529887 840295105 /nfs/dbraw/zinc/29/51/05/840295105.db2.gz BQIHVAXXTZXDND-VHSXEESVSA-N 0 0 292.335 1.056 20 10 CDCDRN COC(=O)CN(C)Cc1cc(F)c(N(C)C)cc1F ZINC000862225268 840321673 /nfs/dbraw/zinc/32/16/73/840321673.db2.gz QADKSMYMOVDQEP-UHFFFAOYSA-N 0 0 272.295 1.636 20 10 CDCDRN COC(=O)c1cnc(NCc2ccccc2O)nc1 ZINC000804398202 840490799 /nfs/dbraw/zinc/49/07/99/840490799.db2.gz CTJGYSJXSOYNNX-UHFFFAOYSA-N 0 0 259.265 1.581 20 10 CDCDRN C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc(F)cc(F)c1[O-] ZINC000817981631 840498197 /nfs/dbraw/zinc/49/81/97/840498197.db2.gz MDGLMWSXNSWLSE-MWLCHTKSSA-N 0 0 286.322 1.700 20 10 CDCDRN CNC(=O)CC[C@H]1CCCCN1C(=O)C1=CC(=O)CS1 ZINC000807739026 840511269 /nfs/dbraw/zinc/51/12/69/840511269.db2.gz IQKIBTNTTHSDRT-SNVBAGLBSA-N 0 0 296.392 1.975 20 10 CDCDRN CSC[C@@](C)(O)CNC(=O)NCCc1ccc(N)cc1 ZINC000841954158 840652629 /nfs/dbraw/zinc/65/26/29/840652629.db2.gz JEPYSQDGPVZVAO-AWEZNQCLSA-N 0 0 297.424 1.225 20 10 CDCDRN COCCCOCC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000775781117 840676432 /nfs/dbraw/zinc/67/64/32/840676432.db2.gz ZYPZVQYGDINFAK-NSHDSACASA-N 0 0 297.351 1.631 20 10 CDCDRN C[C@@H](C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])N(C)C ZINC000824988986 840761821 /nfs/dbraw/zinc/76/18/21/840761821.db2.gz WPYGURBKWMJGTD-QMMMGPOBSA-N 0 0 287.747 1.994 20 10 CDCDRN COC(=O)c1ccc(C(=O)NCc2ccc(O)c(O)c2)[nH]1 ZINC000815835968 840814880 /nfs/dbraw/zinc/81/48/80/840814880.db2.gz LCIUGDJAMWIRCP-UHFFFAOYSA-N 0 0 290.275 1.143 20 10 CDCDRN COc1cccc(CNC(=O)N[C@@H]2CSC[C@H]2C)c1O ZINC000807474265 840816400 /nfs/dbraw/zinc/81/64/00/840816400.db2.gz FRMOQSMYTRUVAP-MWLCHTKSSA-N 0 0 296.392 1.952 20 10 CDCDRN Nc1ccc(CCNC(=O)N2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000851665559 840933959 /nfs/dbraw/zinc/93/39/59/840933959.db2.gz VTMKMWYJOCYGIT-CHWSQXEVSA-N 0 0 259.353 1.863 20 10 CDCDRN Cc1cccc(O)c1C[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000877597074 841013099 /nfs/dbraw/zinc/01/30/99/841013099.db2.gz YSCYYFWYBKFOSQ-LLVKDONJSA-N 0 0 273.340 1.182 20 10 CDCDRN COC(=O)C1CCC(NC(=O)c2cccc(O)c2O)CC1 ZINC000126735574 841054039 /nfs/dbraw/zinc/05/40/39/841054039.db2.gz AUOOJRXEZJTKCF-UHFFFAOYSA-N 0 0 293.319 1.559 20 10 CDCDRN Cc1ccc(C(=O)N2CC[C@@](C)(O)C2)c(O)c1O ZINC000182559357 841077773 /nfs/dbraw/zinc/07/77/73/841077773.db2.gz ASECIEPZIRGKQM-CYBMUJFWSA-N 0 0 251.282 1.003 20 10 CDCDRN CNC(=O)C[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000825067715 841113553 /nfs/dbraw/zinc/11/35/53/841113553.db2.gz DWWCWMXXCLRGTP-SSDOTTSWSA-N 0 0 274.723 1.799 20 10 CDCDRN CN(C)c1ccc(C[NH2+]C[C@@H](O)C(F)(F)F)cc1F ZINC000790999811 841304727 /nfs/dbraw/zinc/30/47/27/841304727.db2.gz JODQOAAKBQPTLQ-LLVKDONJSA-N 0 0 280.265 1.905 20 10 CDCDRN C[C@@H]1SCC[C@H]1NC(=O)c1cccc(O)c1O ZINC000310454735 841317171 /nfs/dbraw/zinc/31/71/71/841317171.db2.gz CONJKHWLVGKLLO-IONNQARKSA-N 0 0 253.323 1.722 20 10 CDCDRN O=C(COC(=O)C1=CC(=O)CS1)c1nccs1 ZINC000783607401 841350920 /nfs/dbraw/zinc/35/09/20/841350920.db2.gz GUPUZAUQNYJVQD-UHFFFAOYSA-N 0 0 269.303 1.950 20 10 CDCDRN COC/C=C\C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000867302048 841435842 /nfs/dbraw/zinc/43/58/42/841435842.db2.gz JCAHMVYJLCSUSZ-XOULXFPDSA-N 0 0 265.309 1.348 20 10 CDCDRN COC(=O)c1cnc(SCN2CCCCC2=O)s1 ZINC000829680903 841451996 /nfs/dbraw/zinc/45/19/96/841451996.db2.gz HXZNBRBEFXABAV-UHFFFAOYSA-N 0 0 286.378 1.992 20 10 CDCDRN CN(C)c1ccc(CNC(=O)Nc2cnsn2)cc1 ZINC000839111586 841460479 /nfs/dbraw/zinc/46/04/79/841460479.db2.gz TVONGAFJQFZZLS-UHFFFAOYSA-N 0 0 277.353 1.926 20 10 CDCDRN COc1ccc(N(C)Cc2nnnn2C2CC2)cc1OC ZINC000140331500 841498290 /nfs/dbraw/zinc/49/82/90/841498290.db2.gz CTOMOZJQSNMIGH-UHFFFAOYSA-N 0 0 289.339 1.662 20 10 CDCDRN COc1ccc(CNc2cc(-n3ccnc3)ncn2)c(O)c1 ZINC000795289028 841660158 /nfs/dbraw/zinc/66/01/58/841660158.db2.gz FXGJKJVOKBQTAF-UHFFFAOYSA-N 0 0 297.318 1.989 20 10 CDCDRN COC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000382544683 841803197 /nfs/dbraw/zinc/80/31/97/841803197.db2.gz FLHUNPORKQAJGL-RNCFNFMXSA-N 0 0 257.305 1.579 20 10 CDCDRN O=C(C1=CC(=O)CS1)N1CCC2(CC1)OCCCO2 ZINC000854662179 841806051 /nfs/dbraw/zinc/80/60/51/841806051.db2.gz SFXUNWCNUNSYLI-UHFFFAOYSA-N 0 0 283.349 1.823 20 10 CDCDRN O=C(C[C@H]1COC(=O)C1)NCc1cc(Cl)ccc1O ZINC000846476767 841881996 /nfs/dbraw/zinc/88/19/96/841881996.db2.gz PZGPDPXLPFRSTP-MRVPVSSYSA-N 0 0 283.711 1.615 20 10 CDCDRN CCc1cc(C(=O)NCc2cc(C)ccc2O)[nH]n1 ZINC000862759922 841895285 /nfs/dbraw/zinc/89/52/85/841895285.db2.gz NBTDFSHZVINOTP-UHFFFAOYSA-N 0 0 259.309 1.916 20 10 CDCDRN Cc1nonc1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000845115665 841958875 /nfs/dbraw/zinc/95/88/75/841958875.db2.gz UESZQSRUQJFBCE-UHFFFAOYSA-N 0 0 288.351 1.645 20 10 CDCDRN CCOCCOCCOC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000922545322 842003763 /nfs/dbraw/zinc/00/37/63/842003763.db2.gz LMJBQJJCLYHUQB-GQCTYLIASA-N 0 0 296.319 1.707 20 10 CDCDRN C[C@H](NC(=O)N[C@@H]1CC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000824506454 842047555 /nfs/dbraw/zinc/04/75/55/842047555.db2.gz WFAOYUHOWHVNOE-ZLKJLUDKSA-N 0 0 277.368 1.636 20 10 CDCDRN COc1cccc(CNC(=O)NC[C@@H]2CC[C@H](C)O2)c1O ZINC000838744977 842149991 /nfs/dbraw/zinc/14/99/91/842149991.db2.gz MTSFDHKZRSVGAG-JQWIXIFHSA-N 0 0 294.351 1.768 20 10 CDCDRN C[C@H](NC(=O)c1cn[nH]c1)c1ccc(N(C)C)cc1 ZINC000775410778 842228398 /nfs/dbraw/zinc/22/83/98/842228398.db2.gz MLVVQPWBGRYWQO-JTQLQIEISA-N 0 0 258.325 1.967 20 10 CDCDRN O=C(N[C@H]1CCCN(CCCO)C1)C1=CC(=O)CS1 ZINC000833565633 842234163 /nfs/dbraw/zinc/23/41/63/842234163.db2.gz KDJZSTRDHPPCNZ-JTQLQIEISA-N 0 0 284.381 1.030 20 10 CDCDRN Cc1cc(C)c([C@@H](C)NCc2nnn(C)n2)c(O)c1 ZINC000788797149 842257777 /nfs/dbraw/zinc/25/77/77/842257777.db2.gz WSKSCGUOFHCXAC-SNVBAGLBSA-N 0 0 261.329 1.383 20 10 CDCDRN C[C@@H](NC(=O)C(=O)NCC1CC1)c1ccccc1O ZINC000827946840 842257989 /nfs/dbraw/zinc/25/79/89/842257989.db2.gz SUGQHGKZMFWHMQ-SECBINFHSA-N 0 0 262.309 1.096 20 10 CDCDRN CCOCCONC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000775238980 842259379 /nfs/dbraw/zinc/25/93/79/842259379.db2.gz QYLMVQHVNDRSRA-GQCTYLIASA-N 0 0 267.281 1.195 20 10 CDCDRN O=C1N[C@@H](c2ccc(O)c(O)c2)N2CCc3ccccc3[C@H]12 ZINC000877855851 842286814 /nfs/dbraw/zinc/28/68/14/842286814.db2.gz KXWCMUYNWJLOLY-HZPDHXFCSA-N 0 0 296.326 1.826 20 10 CDCDRN CC[C@](C)(O)C(=O)NCc1cc(OC)ccc1O ZINC000934941301 842382645 /nfs/dbraw/zinc/38/26/45/842382645.db2.gz FCRBPVNFJCMCNU-ZDUSSCGKSA-N 0 0 253.298 1.178 20 10 CDCDRN CC(C)OC1CN(C(=O)c2cccc(O)c2O)C1 ZINC000825314967 842553798 /nfs/dbraw/zinc/55/37/98/842553798.db2.gz WNBJBKMJPHSSEL-UHFFFAOYSA-N 0 0 251.282 1.347 20 10 CDCDRN CNc1ccc(C(=O)NCc2ccc(O)c(O)c2)cn1 ZINC000802785225 842593069 /nfs/dbraw/zinc/59/30/69/842593069.db2.gz YXHWLCISSJYVCS-UHFFFAOYSA-N 0 0 273.292 1.465 20 10 CDCDRN O=S1(=O)CC[C@@H](N(Cc2ccccc2O)C2CC2)C1 ZINC000179558173 842603356 /nfs/dbraw/zinc/60/33/56/842603356.db2.gz IYDOFBVZWXKBTL-CYBMUJFWSA-N 0 0 281.377 1.544 20 10 CDCDRN CCC[C@@](C)(CO)NC(=O)NCCc1ccc(N)cc1 ZINC000841958070 842686841 /nfs/dbraw/zinc/68/68/41/842686841.db2.gz NZDBFRNYYJURFS-HNNXBMFYSA-N 0 0 279.384 1.662 20 10 CDCDRN C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)[C@@H](C)CO1 ZINC000026665265 842736804 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/nfs/dbraw/zinc/24/46/70/921244670.db2.gz RPQLDFXUBASERO-UHFFFAOYSA-N 0 0 263.265 1.822 20 10 CDCDRN C[C@@H](NC(=O)N[C@H]1C[C@H](CO)C1)c1ccc(N(C)C)cc1 ZINC000922053548 921261328 /nfs/dbraw/zinc/26/13/28/921261328.db2.gz DUEPRANHYCLSTM-YRGRVCCFSA-N 0 0 291.395 1.884 20 10 CDCDRN O=C(NCCc1cc(O)c(O)cc1O)C1CC(F)C1 ZINC001142579975 909487390 /nfs/dbraw/zinc/48/73/90/909487390.db2.gz VRYDLLHGBQEBFG-UHFFFAOYSA-N 0 0 269.272 1.210 20 10 CDCDRN Cc1cc(C)c(CNC(=O)c2c[nH]c(=O)[nH]2)c(O)c1 ZINC001189551718 921541560 /nfs/dbraw/zinc/54/15/60/921541560.db2.gz LWCJDGDQBBONGX-UHFFFAOYSA-N 0 0 261.281 1.368 20 10 CDCDRN CCc1nnc(CNC(=O)NCc2ccc(N)cc2)s1 ZINC001120621785 912211030 /nfs/dbraw/zinc/21/10/30/912211030.db2.gz CEIAWMYGYUJCBF-UHFFFAOYSA-N 0 0 291.380 1.682 20 10 CDCDRN CC(=O)C[C@@H](C)C(=O)NCCc1cc(O)c(O)cc1O ZINC001181260711 916947143 /nfs/dbraw/zinc/94/71/43/916947143.db2.gz NFDHIRPCMZBYOJ-MRVPVSSYSA-N 0 0 281.308 1.077 20 10 CDCDRN Cc1ccc(C(=O)NC[C@H]2CCC[C@@H](O)C2)c(O)c1O ZINC000182496901 917320481 /nfs/dbraw/zinc/32/04/81/917320481.db2.gz UYTXDCGQYAZLAD-WDEREUQCSA-N 0 0 279.336 1.687 20 10 CDCDRN Cc1cc(C)c(CNC(=O)[C@@H]2COC(C)(C)O2)c(O)c1 ZINC001181744000 917327760 /nfs/dbraw/zinc/32/77/60/917327760.db2.gz AGPSLKGCNMMNOH-ZDUSSCGKSA-N 0 0 279.336 1.777 20 10 CDCDRN C[C@H]1CN(C(=O)CCc2ccc(O)c(O)c2)CCCO1 ZINC001182153672 917691050 /nfs/dbraw/zinc/69/10/50/917691050.db2.gz DTBRNFHKRQNDRO-NSHDSACASA-N 0 0 279.336 1.668 20 10 CDCDRN CN(CC1(C)COC1)C(=O)CCc1ccc(O)c(O)c1 ZINC001182154946 917692676 /nfs/dbraw/zinc/69/26/76/917692676.db2.gz PMMOQPGNIKPILL-UHFFFAOYSA-N 0 0 279.336 1.525 20 10 CDCDRN O=C(CCc1ccc(O)c(O)c1)NCc1cn[nH]c1 ZINC001182155848 917693589 /nfs/dbraw/zinc/69/35/89/917693589.db2.gz SNGUMDNRVIRBLY-UHFFFAOYSA-N 0 0 261.281 1.070 20 10 CDCDRN O=S(=O)(NCc1ccc(O)cc1O)c1ccsc1 ZINC001185399814 919573028 /nfs/dbraw/zinc/57/30/28/919573028.db2.gz MYCLPBNYJJJANB-UHFFFAOYSA-N 0 0 285.346 1.638 20 10 CDCDRN C[NH+](C)C1(C)CN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140583573 936727948 /nfs/dbraw/zinc/72/79/48/936727948.db2.gz LRIXFUFCSQEQLF-UHFFFAOYSA-N 0 0 256.296 1.806 20 10 CDCDRN CCN(CC)c1ccc(CN2CCNC(=O)C2)c(O)c1 ZINC001140851276 936764217 /nfs/dbraw/zinc/76/42/17/936764217.db2.gz FPPZGWJTPVBLMM-UHFFFAOYSA-N 0 0 277.368 1.170 20 10 CDCDRN COc1cc(C(=O)N2CCCC23COC3)cc(O)c1O ZINC001193096546 923471002 /nfs/dbraw/zinc/47/10/02/923471002.db2.gz YIZQLLMOKXMANH-UHFFFAOYSA-N 0 0 279.292 1.111 20 10 CDCDRN O=C1CCC(S(=O)(=O)NCc2ccc(O)c(O)c2)CC1 ZINC001194821845 924357794 /nfs/dbraw/zinc/35/77/94/924357794.db2.gz YEMAAQHUFVILAX-UHFFFAOYSA-N 0 0 299.348 1.029 20 10 CDCDRN O=C(NC[C@@H](O)C1CCC1)c1c(F)ccc(O)c1O ZINC000839790247 936926320 /nfs/dbraw/zinc/92/63/20/936926320.db2.gz PDSPYBWCFNVVCE-SNVBAGLBSA-N 0 0 269.272 1.128 20 10 CDCDRN O=S(=O)(NCc1ccc(O)c(O)c1)c1ccc(O)cc1 ZINC001195825373 924749253 /nfs/dbraw/zinc/74/92/53/924749253.db2.gz QONWRDZASGKWDC-UHFFFAOYSA-N 0 0 295.316 1.282 20 10 CDCDRN COCCNC(=S)NCc1cccc(C)c1O ZINC001197884281 925258161 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/nfs/dbraw/zinc/31/56/49/937315649.db2.gz DJTPJUWEBMODEK-SECBINFHSA-N 0 0 273.292 1.682 20 10 CDCDRN Cc1cc(O)c(CN2CCS(=O)CC2)cc1C ZINC000118947683 929416284 /nfs/dbraw/zinc/41/62/84/929416284.db2.gz QQWZJQNHEGOLMV-UHFFFAOYSA-N 0 0 253.367 1.573 20 10 CDCDRN COC(=O)c1ncc(-c2nccc3c2ccn3C)cn1 ZINC001243008685 929492707 /nfs/dbraw/zinc/49/27/07/929492707.db2.gz RDVNIYNMNCUELC-UHFFFAOYSA-N 0 0 268.276 1.817 20 10 CDCDRN COC(=O)C1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000819761123 930844438 /nfs/dbraw/zinc/84/44/38/930844438.db2.gz UMAGRTKQFVUZLN-GQCTYLIASA-N 0 0 291.303 1.133 20 10 CDCDRN O=C(NCc1cc(O)ccc1O)c1ccc2cccnc2n1 ZINC001153884653 937480236 /nfs/dbraw/zinc/48/02/36/937480236.db2.gz DSMSTNMJEBLNLY-UHFFFAOYSA-N 0 0 295.298 1.971 20 10 CDCDRN CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144514952 931878968 /nfs/dbraw/zinc/87/89/68/931878968.db2.gz YVZUUTFRKGRCNJ-LBPRGKRZSA-N 0 0 295.335 1.721 20 10 CDCDRN CC[C@H]1COCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144514974 931879118 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CDCDRN COc1ccc(N2CCN(C(=O)[C@H]3C[C@@H]3F)CC2)cc1F ZINC001346394933 965080244 /nfs/dbraw/zinc/08/02/44/965080244.db2.gz ZSIXNDCMSOEQFH-RYUDHWBXSA-N 0 0 296.317 1.841 20 10 CDCDRN CC[C@@H]1CC[C@H](C(=O)NCc2cccc(O)c2O)O1 ZINC001347543247 965582361 /nfs/dbraw/zinc/58/23/61/965582361.db2.gz ZBZXBCLDXVXPFK-ZYHUDNBSSA-N 0 0 265.309 1.672 20 10 CDCDRN CC(C)OC(=O)C(C)(C)NC(=O)c1cccc(O)c1O ZINC001351916751 967029021 /nfs/dbraw/zinc/02/90/21/967029021.db2.gz YQINWTZFBWVVST-UHFFFAOYSA-N 0 0 281.308 1.558 20 10 CDCDRN O=C(NCc1cccc(O)c1O)[C@@H]1CCc2ncncc2C1 ZINC001352668646 967413489 /nfs/dbraw/zinc/41/34/89/967413489.db2.gz CLHAAHYMWSVVAT-SNVBAGLBSA-N 0 0 299.330 1.309 20 10 CDCDRN CCc1onc(C)c1C(=O)NCc1cccc(O)c1O ZINC001548791644 967873455 /nfs/dbraw/zinc/87/34/55/967873455.db2.gz VMVCRMKFROPUOC-UHFFFAOYSA-N 0 0 276.292 1.887 20 10 CDCDRN CC(C)N1C[C@H](NC(=O)NCc2ccc(N)cc2)CC1=O ZINC001353352890 967921835 /nfs/dbraw/zinc/92/18/35/967921835.db2.gz ZIAVHLMAAQDKEY-CYBMUJFWSA-N 0 0 290.367 1.077 20 10 CDCDRN CC[C@H](C)NC(=S)NC[C@H](O)c1ccc(O)c(O)c1 ZINC001200467165 968279633 /nfs/dbraw/zinc/27/96/33/968279633.db2.gz IUWWXRSTUUWHKU-UFBFGSQYSA-N 0 0 284.381 1.394 20 10 CDCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@]1(F)CCOC1 ZINC001355106638 969048189 /nfs/dbraw/zinc/04/81/89/969048189.db2.gz HBYOWEZQSBDMLJ-CQSZACIVSA-N 0 0 288.315 1.623 20 10 CDCDRN CC[C@](C)(CNC(=O)NCc1ccc(N)cc1)OC ZINC001357436184 969589645 /nfs/dbraw/zinc/58/96/45/969589645.db2.gz YFCLOTVSQQQGGP-CQSZACIVSA-N 0 0 265.357 1.883 20 10 CDCDRN CC1=NO[C@@](C)(C(=O)NCc2ccc(O)c(O)c2)C1 ZINC001358046673 969683138 /nfs/dbraw/zinc/68/31/38/969683138.db2.gz QGLUCANKTOQVEL-CYBMUJFWSA-N 0 0 264.281 1.269 20 10 CDCDRN CN1CCO[C@H]2C[N@H+](Cc3cccc(Cl)c3[O-])C[C@@H]21 ZINC000775717271 970101775 /nfs/dbraw/zinc/10/17/75/970101775.db2.gz NXROFECCCZTXOH-STQMWFEESA-N 0 0 282.771 1.560 20 10 CDCDRN Cc1ccc(NCCNC(=O)Cc2ccc(N)cc2)nc1 ZINC001523209385 970666000 /nfs/dbraw/zinc/66/60/00/970666000.db2.gz BKZZWPVRWFDPIG-UHFFFAOYSA-N 0 0 284.363 1.743 20 10 CDCDRN Cc1cc(C(=O)NCCCON)c(C)n1-c1ccccn1 ZINC001523373646 970700215 /nfs/dbraw/zinc/70/02/15/970700215.db2.gz FRLGEDIHMNRDLX-UHFFFAOYSA-N 0 0 288.351 1.499 20 10 CDCDRN COc1cccc([C@@H](C)[NH2+]C[C@@H](C)C(=O)[O-])c1O ZINC001604857059 974100884 /nfs/dbraw/zinc/10/08/84/974100884.db2.gz MRGTTYAKCDBBLL-RKDXNWHRSA-N 0 0 253.298 1.772 20 10 CDCDRN COc1cccc(O)c1C[N@@H+]1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC001604870820 974118284 /nfs/dbraw/zinc/11/82/84/974118284.db2.gz BVGSBYANRIDCEH-QWRGUYRKSA-N 0 0 279.336 1.943 20 10 CDCDRN COc1cccc(C[NH2+]C2CC(CC(=O)[O-])C2)c1O ZINC001599673700 994858011 /nfs/dbraw/zinc/85/80/11/994858011.db2.gz HVBPPSQUINZFJP-UHFFFAOYSA-N 0 0 265.309 1.744 20 10 CDCDRN COc1cccc(O)c1C[N@@H+]1CC[C@H](C(=O)[O-])[C@H]1C ZINC001599680292 994968712 /nfs/dbraw/zinc/96/87/12/994968712.db2.gz KAGDXFIIROBCDT-ZJUUUORDSA-N 0 0 265.309 1.696 20 10 CDCDRN COCC[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001605080202 1163445385 /nfs/dbraw/zinc/44/53/85/1163445385.db2.gz WSYWFGLONDFYSQ-VHSXEESVSA-N 0 0 291.355 1.648 20 10 CDCDRN COCCOC[C@@H](C)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001599248917 998195251 /nfs/dbraw/zinc/19/52/51/998195251.db2.gz ACNPNDIFBDOXKR-GHMZBOCLSA-N 0 0 297.351 1.793 20 10 CDCDRN COC[C@](C)([NH2+]Cc1cc(F)cc(C(C)=O)c1O)C(=O)[O-] ZINC001599153950 998337808 /nfs/dbraw/zinc/33/78/08/998337808.db2.gz ONRHKAGFFLUUBZ-AWEZNQCLSA-N 0 0 299.298 1.313 20 10 CDCDRN CN(C(=O)/C=C/c1cncc(O)c1)c1cccnc1 ZINC000182010629 342533558 /nfs/dbraw/zinc/53/35/58/342533558.db2.gz XEIOTEBWWMDOKM-SNAWJCMRSA-N 0 0 255.277 1.858 20 10 CDCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCCCO ZINC000631563371 361819937 /nfs/dbraw/zinc/81/99/37/361819937.db2.gz SNFIIAMFHBSCDD-UHFFFAOYSA-N 0 0 278.352 1.641 20 10 CDCDRN CC(C)CN1CC(=O)N[C@H]1c1cc(F)ccc1O ZINC000077474845 342328960 /nfs/dbraw/zinc/32/89/60/342328960.db2.gz DJVWDLASWOTCSQ-CYBMUJFWSA-N 0 0 252.289 1.618 20 10 CDCDRN COc1ccc(N2CCCN([C@@H]3CCOC3=O)CC2)cc1 ZINC000053774102 347753992 /nfs/dbraw/zinc/75/39/92/347753992.db2.gz UYXRQMOVMGTJHM-OAHLLOKOSA-N 0 0 290.363 1.523 20 10 CDCDRN C[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)n1cccn1 ZINC000058731851 348868866 /nfs/dbraw/zinc/86/88/66/348868866.db2.gz AIQJWSNNNRJFOW-LLVKDONJSA-N 0 0 290.342 1.966 20 10 CDCDRN CC(C)OCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000058734121 348869426 /nfs/dbraw/zinc/86/94/26/348869426.db2.gz CKDJKUBPBRWTJL-UHFFFAOYSA-N 0 0 268.332 1.933 20 10 CDCDRN COc1cncc(C(=O)NCc2ccc(N)cc2)c1C ZINC001579322463 1172147413 /nfs/dbraw/zinc/14/74/13/1172147413.db2.gz YKPINCCIWQGVSB-UHFFFAOYSA-N 0 0 271.320 1.911 20 10 CDCDRN COc1cncc(/C=C\C(=O)N2CCOc3ccncc32)c1 ZINC000492520523 366169502 /nfs/dbraw/zinc/16/95/02/366169502.db2.gz NDUOFVQINHTTBJ-IHWYPQMZSA-N 0 0 297.314 1.924 20 10 CDCDRN COC[C@@H](O)C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000276854549 366185082 /nfs/dbraw/zinc/18/50/82/366185082.db2.gz BLWBSIYFKSKLJA-SFYZADRCSA-N 0 0 261.268 1.328 20 10 CDCDRN COc1ncc(/C=C\C(=O)N(C)c2ccccn2)cn1 ZINC000492654816 366175639 /nfs/dbraw/zinc/17/56/39/366175639.db2.gz UAERGDAEOUQPFA-SREVYHEPSA-N 0 0 270.292 1.556 20 10 CDCDRN O=C(/C=C\c1cncc(O)c1)N1CCn2nccc21 ZINC000492969047 366187565 /nfs/dbraw/zinc/18/75/65/366187565.db2.gz ACWZHBJGOUDOAA-UPHRSURJSA-N 0 0 256.265 1.044 20 10 CDCDRN CCN(CC)S(=O)(=O)NCc1ccc(N(C)C)cc1 ZINC000048368198 356801924 /nfs/dbraw/zinc/80/19/24/356801924.db2.gz NOYUPYCCAWBPRD-UHFFFAOYSA-N 0 0 285.413 1.429 20 10 CDCDRN CCN(C)C(=O)[C@@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000187968523 357829433 /nfs/dbraw/zinc/82/94/33/357829433.db2.gz AGFQDIWEKBUHLR-LLVKDONJSA-N 0 0 293.367 1.400 20 10 CDCDRN CCN(C(=O)c1ccc(C)c(O)c1O)[C@@H](C)CO ZINC000294330251 199001316 /nfs/dbraw/zinc/00/13/16/199001316.db2.gz UMULZMBSDWAIEF-VIFPVBQESA-N 0 0 253.298 1.249 20 10 CDCDRN COc1cccc(CNC(=O)CCc2ccncn2)c1O ZINC000191857907 358157822 /nfs/dbraw/zinc/15/78/22/358157822.db2.gz GVBXECMSTUGCTC-UHFFFAOYSA-N 0 0 287.319 1.440 20 10 CDCDRN COc1ccc(O)c(CN2CCS(=O)(=O)C[C@H](C)C2)c1 ZINC000192063351 358173331 /nfs/dbraw/zinc/17/33/31/358173331.db2.gz MOQAZLHBCYJCTE-LLVKDONJSA-N 0 0 299.392 1.267 20 10 CDCDRN COC(=O)[C@H]1CN(Cc2cc(C)ccc2O)C[C@@H](C)O1 ZINC000092013978 358535218 /nfs/dbraw/zinc/53/52/18/358535218.db2.gz QYBQYZKZMGAFJW-BXUZGUMPSA-N 0 0 279.336 1.463 20 10 CDCDRN C[C@@H]([NH2+]Cc1cnnn1C)c1ccc(F)cc1[O-] ZINC000287301402 359330475 /nfs/dbraw/zinc/33/04/75/359330475.db2.gz KPUMKCVXKHLYAH-MRVPVSSYSA-N 0 0 250.277 1.511 20 10 CDCDRN CO[C@@H](CNC(=O)NCc1ccccc1O)C(C)C ZINC000266840001 363669779 /nfs/dbraw/zinc/66/97/79/363669779.db2.gz OMGSJHJDKQENOA-ZDUSSCGKSA-N 0 0 266.341 1.862 20 10 CDCDRN C[C@H]([NH2+]CCn1cncn1)c1ccc(F)c(F)c1[O-] ZINC000276925802 299301564 /nfs/dbraw/zinc/30/15/64/299301564.db2.gz NEWAUSIPYOHBDW-QMMMGPOBSA-N 0 0 268.267 1.613 20 10 CDCDRN CC1(C)C[C@H](O)CCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000298252505 200371676 /nfs/dbraw/zinc/37/16/76/200371676.db2.gz FDUJBVLBAMDFPX-SECBINFHSA-N 0 0 297.326 1.860 20 10 CDCDRN O=S1(=O)CC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000124500316 360373981 /nfs/dbraw/zinc/37/39/81/360373981.db2.gz BGCWGJWSGKQVSW-SECBINFHSA-N 0 0 275.757 1.322 20 10 CDCDRN O=C(NCc1ccccc1O)[C@H]1CSCCS1 ZINC000267534260 363840849 /nfs/dbraw/zinc/84/08/49/363840849.db2.gz XHQLNQOBPDOSBH-LLVKDONJSA-N 0 0 269.391 1.857 20 10 CDCDRN CN1CCN(C(=O)Cc2ccc(N)cc2)c2cccnc21 ZINC000269268255 364170574 /nfs/dbraw/zinc/17/05/74/364170574.db2.gz QPCILXDRUBDOCC-UHFFFAOYSA-N 0 0 282.347 1.689 20 10 CDCDRN COCCn1nnc2c1CCN(Cc1ccccc1O)C2 ZINC000293695354 370751758 /nfs/dbraw/zinc/75/17/58/370751758.db2.gz RBRJTZKVIKZOMV-UHFFFAOYSA-N 0 0 288.351 1.188 20 10 CDCDRN CCOC[C@H](O)CN(CC)c1ccc(OC)cc1 ZINC000269668459 364292145 /nfs/dbraw/zinc/29/21/45/364292145.db2.gz ZRZCPJGEZZWBTC-CYBMUJFWSA-N 0 0 253.342 1.919 20 10 CDCDRN COC(=O)[C@@]1(F)CCN(Cc2cc(F)ccc2O)C1 ZINC000272378057 365212464 /nfs/dbraw/zinc/21/24/64/365212464.db2.gz HIZUSIGOSAFKFW-CYBMUJFWSA-N 0 0 271.263 1.618 20 10 CDCDRN COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000171357138 365260705 /nfs/dbraw/zinc/26/07/05/365260705.db2.gz OMJITMLYDSOHSN-UONOGXRCSA-N 0 0 290.363 1.520 20 10 CDCDRN CO[C@H](CNC(=O)c1ccc(C)c(O)c1O)C(C)C ZINC000272758278 365382880 /nfs/dbraw/zinc/38/28/80/365382880.db2.gz PSUMZHDFQDQQDE-LLVKDONJSA-N 0 0 267.325 1.807 20 10 CDCDRN CN(C)c1ccc(CNCN2CCC(=O)CC2)cc1F ZINC000273076227 365468716 /nfs/dbraw/zinc/46/87/16/365468716.db2.gz LPVNAKBCRYVHLJ-UHFFFAOYSA-N 0 0 279.359 1.604 20 10 CDCDRN Cc1ccc(C(=O)N[C@H]2CCO[C@H](C)C2)c(O)c1O ZINC000272962139 365460900 /nfs/dbraw/zinc/46/09/00/365460900.db2.gz JSUIOFLQRYRPSV-ZJUUUORDSA-N 0 0 265.309 1.704 20 10 CDCDRN C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc(F)cc1[O-] ZINC000273572760 365508581 /nfs/dbraw/zinc/50/85/81/365508581.db2.gz LCNSBQIEQMDDIA-LKFCYVNXSA-N 0 0 279.315 1.649 20 10 CDCDRN CCCCN(Cc1nnn(C)n1)Cc1ccccc1O ZINC000282508047 367920955 /nfs/dbraw/zinc/92/09/55/367920955.db2.gz ROVPIBILAPYHIE-UHFFFAOYSA-N 0 0 275.356 1.718 20 10 CDCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](C)NC(N)=O ZINC000282553675 367939214 /nfs/dbraw/zinc/93/92/14/367939214.db2.gz STKHJYPNFWXKJR-NSHDSACASA-N 0 0 293.367 1.578 20 10 CDCDRN O=C1CC[C@H]([NH2+]Cc2cccc(F)c2[O-])C2(CCC2)N1 ZINC000282840879 368063908 /nfs/dbraw/zinc/06/39/08/368063908.db2.gz COXIWENCOVPEOJ-LBPRGKRZSA-N 0 0 278.327 1.822 20 10 CDCDRN CCOC[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CCO1 ZINC000529664837 368087290 /nfs/dbraw/zinc/08/72/90/368087290.db2.gz FEGKGBOMKMPZDP-LBPRGKRZSA-N 0 0 295.335 1.358 20 10 CDCDRN Cc1nc(CCN(C)C(=O)c2cccc(O)c2O)no1 ZINC000286103782 368694427 /nfs/dbraw/zinc/69/44/27/368694427.db2.gz APYXVCBEISHLAD-UHFFFAOYSA-N 0 0 277.280 1.104 20 10 CDCDRN O=C(c1cccc(O)c1O)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000375694630 370914573 /nfs/dbraw/zinc/91/45/73/370914573.db2.gz YLHBDDXDNUAPOU-QWRGUYRKSA-N 0 0 277.320 1.596 20 10 CDCDRN Cn1nncc1C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000288486942 369456694 /nfs/dbraw/zinc/45/66/94/369456694.db2.gz QNQDLDRQHUQOGD-UHFFFAOYSA-N 0 0 297.702 1.372 20 10 CDCDRN CNC(=O)C[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000269002689 370989567 /nfs/dbraw/zinc/98/95/67/370989567.db2.gz LYEGADUUXLIYQH-GFCCVEGCSA-N 0 0 275.396 1.683 20 10 CDCDRN COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1cccc(C)c1O ZINC000371530135 370298920 /nfs/dbraw/zinc/29/89/20/370298920.db2.gz WSBZPFRLFDHGJS-KBPBESRZSA-N 0 0 293.363 1.853 20 10 CDCDRN CC(=O)c1cc(F)cc(CN2CCCN(C=O)CC2)c1O ZINC000294310997 371045220 /nfs/dbraw/zinc/04/52/20/371045220.db2.gz VUSRMYGTRKGCBC-UHFFFAOYSA-N 0 0 294.326 1.398 20 10 CDCDRN O=C(c1cccc(O)c1O)N1CCC(CF)CC1 ZINC000295536074 371330290 /nfs/dbraw/zinc/33/02/90/371330290.db2.gz CFMUMAZGIBZCLD-UHFFFAOYSA-N 0 0 253.273 1.920 20 10 CDCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cn(C)nn1 ZINC000342294567 374041760 /nfs/dbraw/zinc/04/17/60/374041760.db2.gz QGHMAXRVPOVVDM-UHFFFAOYSA-N 0 0 283.335 1.545 20 10 CDCDRN COCCN(CC(=O)OC)Cc1ccc(N(C)C)cc1 ZINC000093416102 390902409 /nfs/dbraw/zinc/90/24/09/390902409.db2.gz BSIJYSAGHWPSHS-UHFFFAOYSA-N 0 0 280.368 1.374 20 10 CDCDRN Cc1cc(NS(=O)(=O)N2CCCCC2)ccc1O ZINC000148638629 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CC(C)C[C@H](O)CNC(=O)NCCc1ccc(N)cc1 ZINC000841953573 704906238 /nfs/dbraw/zinc/90/62/38/704906238.db2.gz APYXGGZSFZIYEJ-AWEZNQCLSA-N 0 0 279.384 1.518 20 10 CDCDRN O=C(C1=CC(=O)CS1)N1CC[C@H](N2CCCC2=O)C1 ZINC000792513079 704964008 /nfs/dbraw/zinc/96/40/08/704964008.db2.gz MRKMSJNAOGZVAV-VIFPVBQESA-N 0 0 280.349 1.291 20 10 CDCDRN C[C@H]1C[C@H](O)CN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000788314204 704980577 /nfs/dbraw/zinc/98/05/77/704980577.db2.gz SEOULGZOAWPMRZ-JQWIXIFHSA-N 0 0 295.358 1.556 20 10 CDCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2C[C@@H](O)C2)c1 ZINC000858542758 705038605 /nfs/dbraw/zinc/03/86/05/705038605.db2.gz BHFJMYBTJMSHJD-JBLDHEPKSA-N 0 0 279.336 1.600 20 10 CDCDRN CCCN(Cc1ccccc1O)C(=O)C[C@H]1CC(=O)N1 ZINC000830141003 705059174 /nfs/dbraw/zinc/05/91/74/705059174.db2.gz LPJFOVSGTWWYQH-GFCCVEGCSA-N 0 0 276.336 1.409 20 10 CDCDRN C[C@@H](CO)C1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000846470122 705084412 /nfs/dbraw/zinc/08/44/12/705084412.db2.gz FUBSXAYUMSYHRC-JTQLQIEISA-N 0 0 279.336 1.578 20 10 CDCDRN CN(C)c1ccc(CNC(=O)C(F)(F)C2(O)CCC2)cc1 ZINC000305265672 705159995 /nfs/dbraw/zinc/15/99/95/705159995.db2.gz VAAUIUBKCWYSIL-UHFFFAOYSA-N 0 0 298.333 1.919 20 10 CDCDRN CCC1(O)CCC(NC(=O)c2cccc(O)c2O)CC1 ZINC000790912945 705214423 /nfs/dbraw/zinc/21/44/23/705214423.db2.gz ZPBZDTVTBHVIDH-UHFFFAOYSA-N 0 0 279.336 1.911 20 10 CDCDRN O=C(NCc1ncccc1O)c1cccc(O)c1O ZINC000792610240 848058618 /nfs/dbraw/zinc/05/86/18/848058618.db2.gz ORVOAPNEOMQWJC-UHFFFAOYSA-N 0 0 260.249 1.128 20 10 CDCDRN Cc1ccc(C(=O)N2Cc3cnn(C)c3C2)c(O)c1O ZINC000857883148 848060945 /nfs/dbraw/zinc/06/09/45/848060945.db2.gz KMQUQDDFPMZPPY-UHFFFAOYSA-N 0 0 273.292 1.296 20 10 CDCDRN COC1([C@@H](C)NC(=O)C2=CC(=O)CS2)CCOCC1 ZINC000817770899 848072537 /nfs/dbraw/zinc/07/25/37/848072537.db2.gz ODCRVPCTKLMGTH-SECBINFHSA-N 0 0 285.365 1.768 20 10 CDCDRN CC[C@@H](CS(=O)(=O)NCc1ccccc1O)OC ZINC000817133638 848095865 /nfs/dbraw/zinc/09/58/65/848095865.db2.gz HDWJAYIQOZGOAB-NSHDSACASA-N 0 0 273.354 1.237 20 10 CDCDRN O=C(NC1(C(F)(F)F)CC1)c1cccc(O)c1O ZINC000229720811 848103535 /nfs/dbraw/zinc/10/35/35/848103535.db2.gz VJYDHAHEZXWMFP-UHFFFAOYSA-N 0 0 261.199 1.923 20 10 CDCDRN O=C(NC1(CO)CCSCC1)C1=CC(=O)CS1 ZINC000854913611 848186172 /nfs/dbraw/zinc/18/61/72/848186172.db2.gz WGAJMAZSRODLLU-UHFFFAOYSA-N 0 0 273.379 1.442 20 10 CDCDRN C[C@H]([NH2+]CCCc1cnn(C)n1)c1ccc(F)cc1[O-] ZINC000815640342 848193672 /nfs/dbraw/zinc/19/36/72/848193672.db2.gz VMATVCBUHBLANL-JTQLQIEISA-N 0 0 278.331 1.943 20 10 CDCDRN C[N@@H+]1CCCC[C@H](CNC(=O)c2cccc(O)c2O)C1 ZINC000700793094 848280889 /nfs/dbraw/zinc/28/08/89/848280889.db2.gz PIVZUXBWIRRQLW-LLVKDONJSA-N 0 0 278.352 1.560 20 10 CDCDRN C[C@@H]([NH2+]Cc1n[nH]c(=O)[n-]1)c1ccc(N(C)C)cc1 ZINC000392466801 848306722 /nfs/dbraw/zinc/30/67/22/848306722.db2.gz SSHFWDAYRQLZHY-SECBINFHSA-N 0 0 261.329 1.427 20 10 CDCDRN COc1ccc(CNc2cc(C)nc3ncnn32)c(O)c1 ZINC000795284842 848316732 /nfs/dbraw/zinc/31/67/32/848316732.db2.gz LEZGEIAKYFSOJD-UHFFFAOYSA-N 0 0 285.307 1.759 20 10 CDCDRN C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)C1=CC(=O)CS1 ZINC000777223344 848365282 /nfs/dbraw/zinc/36/52/82/848365282.db2.gz UDIWNMQDAMMFQP-MRVPVSSYSA-N 0 0 284.381 1.829 20 10 CDCDRN CCOC1CN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841956160 848378452 /nfs/dbraw/zinc/37/84/52/848378452.db2.gz XBHPNNGDIVKUMQ-UHFFFAOYSA-N 0 0 263.341 1.242 20 10 CDCDRN COC(=O)CN(C(=O)C1=CC(=O)CS1)C1CCOCC1 ZINC000829245760 848504879 /nfs/dbraw/zinc/50/48/79/848504879.db2.gz NEKZTRLEINQKFD-UHFFFAOYSA-N 0 0 299.348 1.248 20 10 CDCDRN COCCN(C)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000389309772 848506890 /nfs/dbraw/zinc/50/68/90/848506890.db2.gz QWZDXYIJGRJEKQ-CYBMUJFWSA-N 0 0 264.369 1.547 20 10 CDCDRN Cc1c(CNC(=O)NCc2cc(C)ccc2O)cnn1C ZINC000858326514 848539724 /nfs/dbraw/zinc/53/97/24/848539724.db2.gz SEGRPQCRNQRJQL-UHFFFAOYSA-N 0 0 288.351 1.742 20 10 CDCDRN O=C(Nc1ccc2c(c1)C(=O)NC2)c1cccc(O)c1O ZINC000776343364 848542922 /nfs/dbraw/zinc/54/29/22/848542922.db2.gz RTIOSETZRIUBBZ-UHFFFAOYSA-N 0 0 284.271 1.594 20 10 CDCDRN CC(=O)N1CCC(NC(=O)c2ccc(C)c(O)c2O)CC1 ZINC000780854196 848545598 /nfs/dbraw/zinc/54/55/98/848545598.db2.gz BPSIAMHKRAQWCT-UHFFFAOYSA-N 0 0 292.335 1.147 20 10 CDCDRN CN1CC[C@H](NC(=O)NCc2cc(Cl)ccc2O)C1=O ZINC000845000920 848626656 /nfs/dbraw/zinc/62/66/56/848626656.db2.gz ACYPZSYLGYTGDA-JTQLQIEISA-N 0 0 297.742 1.076 20 10 CDCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCN(C)C1=O ZINC000776137821 848638153 /nfs/dbraw/zinc/63/81/53/848638153.db2.gz ZYWFVDXJQQPWJE-CYBMUJFWSA-N 0 0 290.363 1.609 20 10 CDCDRN COCCOC[C@@H](O)CN(C)c1ccc(OC)c(OC)c1 ZINC000827490922 848645456 /nfs/dbraw/zinc/64/54/56/848645456.db2.gz DUWWUNNYKMPYOX-ZDUSSCGKSA-N 0 0 299.367 1.164 20 10 CDCDRN CCOC[C@H]1CN(Cc2ccc(N(C)C)cc2)CCO1 ZINC000859770997 848691656 /nfs/dbraw/zinc/69/16/56/848691656.db2.gz FSMILQGGVLPFAY-MRXNPFEDSA-N 0 0 278.396 1.990 20 10 CDCDRN O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc(O)c1O ZINC000848351916 848742372 /nfs/dbraw/zinc/74/23/72/848742372.db2.gz HOGUABJKHXNAPI-OLZOCXBDSA-N 0 0 290.363 1.845 20 10 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CDCDRN COCCOCCNC(=O)NCc1cc(C)ccc1O ZINC000858158801 849054694 /nfs/dbraw/zinc/05/46/94/849054694.db2.gz QRVPDIBDEHPDTF-UHFFFAOYSA-N 0 0 282.340 1.163 20 10 CDCDRN CNC(=S)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000065222465 849071071 /nfs/dbraw/zinc/07/10/71/849071071.db2.gz JOJCABFGQZPWTD-LLVKDONJSA-N 0 0 279.409 1.678 20 10 CDCDRN CN(C)c1ccc(CN(C)C(=O)CCc2cn[nH]n2)cc1 ZINC000864634994 849097314 /nfs/dbraw/zinc/09/73/14/849097314.db2.gz WGKQUAOGKDKQDW-UHFFFAOYSA-N 0 0 287.367 1.462 20 10 CDCDRN CO[C@@H](CNC(=O)NCCc1ccc(N)cc1)C1CC1 ZINC000841909360 849103380 /nfs/dbraw/zinc/10/33/80/849103380.db2.gz DMBLULAQYQBHCF-AWEZNQCLSA-N 0 0 277.368 1.536 20 10 CDCDRN COc1ccc(N2CCN(CC[N+](=O)[O-])CC2)cc1 ZINC000787731438 849111411 /nfs/dbraw/zinc/11/14/11/849111411.db2.gz RZAAZYHQSHBVES-UHFFFAOYSA-N 0 0 265.313 1.094 20 10 CDCDRN CCOCCNC(=O)NCc1cc(OC)ccc1O ZINC000114586069 849121446 /nfs/dbraw/zinc/12/14/46/849121446.db2.gz ADLHSQXIMSCIRF-UHFFFAOYSA-N 0 0 268.313 1.237 20 10 CDCDRN Cn1cc(/C=C/C(=O)N2CCN(C)c3ccccc32)cn1 ZINC000110476409 849174219 /nfs/dbraw/zinc/17/42/19/849174219.db2.gz QLDFGJHCMDJQER-BQYQJAHWSA-N 0 0 282.347 1.916 20 10 CDCDRN CN(C)c1ccc(CNC(=O)NC[C@@H]2CCCOC2)cc1 ZINC000056346307 849179433 /nfs/dbraw/zinc/17/94/33/849179433.db2.gz ZVDSOFBOSZNESJ-AWEZNQCLSA-N 0 0 291.395 1.978 20 10 CDCDRN CN(C(=O)C1=CC(=O)CS1)[C@@H]1CCCC[C@H]1O ZINC000869924836 849233676 /nfs/dbraw/zinc/23/36/76/849233676.db2.gz TZUYTUYLVBYIDU-NXEZZACHSA-N 0 0 255.339 1.829 20 10 CDCDRN CCC1(O)CN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000854380471 849238889 /nfs/dbraw/zinc/23/88/89/849238889.db2.gz LYEXGCAUOSRPIF-XQRVVYSFSA-N 0 0 263.293 1.094 20 10 CDCDRN Cc1nnc([C@@H](C)NCc2cc3c(cc2O)OCO3)[nH]1 ZINC000392441836 849245967 /nfs/dbraw/zinc/24/59/67/849245967.db2.gz DTFKFYMIEWGXJF-SSDOTTSWSA-N 0 0 276.296 1.398 20 10 CDCDRN CC[C@H](C(=O)N[C@H](C)c1ccccc1O)[C@H](C)O ZINC000881440448 849313432 /nfs/dbraw/zinc/31/34/32/849313432.db2.gz BRUVHFUVGNXALE-VWYCJHECSA-N 0 0 251.326 1.976 20 10 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CDCDRN Nc1ccc(CCNC(=O)N2CC[C@H](n3cccn3)C2)cc1 ZINC000841958370 849630614 /nfs/dbraw/zinc/63/06/14/849630614.db2.gz ZQKPNCXOFDXHFR-HNNXBMFYSA-N 0 0 299.378 1.664 20 10 CDCDRN COc1ccc(CNC(=O)Cc2ncccc2F)c(O)c1 ZINC000794373031 849650779 /nfs/dbraw/zinc/65/07/79/849650779.db2.gz FDFHYOALPFOBQH-UHFFFAOYSA-N 0 0 290.294 1.794 20 10 CDCDRN CCCN(C(=O)C1=CC(=O)CS1)[C@@H]1CC(=O)N(C)C1=O ZINC000802645831 849681985 /nfs/dbraw/zinc/68/19/85/849681985.db2.gz CHTRZGSADXFARP-SECBINFHSA-N 0 0 296.348 1.063 20 10 CDCDRN O=C(CNCC(F)(F)F)NCc1cc(Cl)ccc1O ZINC000846472164 849704209 /nfs/dbraw/zinc/70/42/09/849704209.db2.gz HWMYPSBWWLWLCZ-UHFFFAOYSA-N 0 0 296.676 1.814 20 10 CDCDRN CCn1ccc(CNC(=O)NCc2ccccc2O)n1 ZINC000840277243 849710872 /nfs/dbraw/zinc/71/08/72/849710872.db2.gz RWUMMCABBIBYDU-UHFFFAOYSA-N 0 0 274.324 1.608 20 10 CDCDRN CC[C@@H](NC(=O)NCCc1ccc(O)c(O)c1)C(F)F ZINC000881013089 849715585 /nfs/dbraw/zinc/71/55/85/849715585.db2.gz UBUUXSFGNLFJFL-SECBINFHSA-N 0 0 288.294 1.983 20 10 CDCDRN 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277.320 1.388 20 10 CDCDRN Cc1c(CC(=O)NCCc2ccc(O)c(O)c2)cnn1C ZINC000815833749 678794828 /nfs/dbraw/zinc/79/48/28/678794828.db2.gz BVAPQRPBZHMYPK-UHFFFAOYSA-N 0 0 289.335 1.041 20 10 CDCDRN COC(=O)c1cnc(SCC(=O)c2ccnn2C)s1 ZINC000848438879 678807496 /nfs/dbraw/zinc/80/74/96/678807496.db2.gz JQPPFHCPHRSBCU-UHFFFAOYSA-N 0 0 297.361 1.638 20 10 CDCDRN Nc1ccc(CC(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000035599017 678807833 /nfs/dbraw/zinc/80/78/33/678807833.db2.gz BBSQFQUGESPZPY-HNNXBMFYSA-N 0 0 270.332 1.661 20 10 CDCDRN COC(=O)C[C@H](C)C(=O)NCc1ccc(OC)cc1O ZINC000794382224 678809933 /nfs/dbraw/zinc/80/99/33/678809933.db2.gz ZRBRWBOUPIDUQQ-VIFPVBQESA-N 0 0 281.308 1.216 20 10 CDCDRN COc1cccc(O)c1C[N@@H+](C)C1CCN(OC)CC1 ZINC000835076841 678809940 /nfs/dbraw/zinc/80/99/40/678809940.db2.gz WPPCLIXPZJMXBX-UHFFFAOYSA-N 0 0 280.368 1.858 20 10 CDCDRN CCCN(Cc1ccccc1O)[C@@H](C)c1nnnn1C ZINC000189480948 678818139 /nfs/dbraw/zinc/81/81/39/678818139.db2.gz NETYTKDEXXKEHY-NSHDSACASA-N 0 0 275.356 1.889 20 10 CDCDRN COC[C@@H](C)CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000195200914 678839138 /nfs/dbraw/zinc/83/91/38/678839138.db2.gz LTDROKYQSYSJDJ-NSHDSACASA-N 0 0 297.374 1.973 20 10 CDCDRN COc1ccc(O)c(CNC(=O)[C@@](C)(OC)C2CC2)c1 ZINC000812509994 678843137 /nfs/dbraw/zinc/84/31/37/678843137.db2.gz UUBFOPHKESSRTN-HNNXBMFYSA-N 0 0 279.336 1.832 20 10 CDCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2)c1 ZINC000817976972 678859021 /nfs/dbraw/zinc/85/90/21/678859021.db2.gz XYTLSAYUZUNUQA-USWWRNFRSA-N 0 0 296.342 1.529 20 10 CDCDRN Cc1cc(O)c(CNCc2nc(C(N)=O)cs2)cc1C ZINC000850384596 678882671 /nfs/dbraw/zinc/88/26/71/678882671.db2.gz ZGTAPHRIBYFUKJ-UHFFFAOYSA-N 0 0 291.376 1.854 20 10 CDCDRN CCn1cnc2c1CCN(C(=O)c1cccc(O)c1O)C2 ZINC000886614764 678886843 /nfs/dbraw/zinc/88/68/43/678886843.db2.gz JLVOMDAQBYOJNM-UHFFFAOYSA-N 0 0 287.319 1.513 20 10 CDCDRN CC(C)N(C)C(=O)[C@H](C)OC(=O)C1=CC(=O)CS1 ZINC000783608131 678887449 /nfs/dbraw/zinc/88/74/49/678887449.db2.gz NQVFFBOPCKZQPZ-QMMMGPOBSA-N 0 0 271.338 1.866 20 10 CDCDRN Nc1ccc(NC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000841300392 678893113 /nfs/dbraw/zinc/89/31/13/678893113.db2.gz QYSTVEJOHCJTDB-LLVKDONJSA-N 0 0 274.324 1.154 20 10 CDCDRN Cc1ccc(C(=O)NC2([C@@H](C)O)CC2)c(O)c1O ZINC000856129255 678899116 /nfs/dbraw/zinc/89/91/16/678899116.db2.gz SKJKCQKSXNVTGL-MRVPVSSYSA-N 0 0 251.282 1.049 20 10 CDCDRN O=C(NCCC[C@H]1CCOC1)c1c(F)ccc(O)c1O ZINC000839789333 678916000 /nfs/dbraw/zinc/91/60/00/678916000.db2.gz YQUHFOMFDORYSJ-VIFPVBQESA-N 0 0 283.299 1.783 20 10 CDCDRN CCOc1ccc([C@@H]2NC(=O)CN2CC)c(O)c1 ZINC000788688497 678916366 /nfs/dbraw/zinc/91/63/66/678916366.db2.gz ASAQYJHBWYNNES-CYBMUJFWSA-N 0 0 250.298 1.241 20 10 CDCDRN CCn1cnnc1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779498368 678920141 /nfs/dbraw/zinc/92/01/41/678920141.db2.gz DWHAQJXCPPKOTM-XQRVVYSFSA-N 0 0 288.307 1.039 20 10 CDCDRN CCC[C@](C)(O)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784280040 678924338 /nfs/dbraw/zinc/92/43/38/678924338.db2.gz AUMUFMOJAHWDMW-AWEZNQCLSA-N 0 0 282.292 1.375 20 10 CDCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@]1(CCO)CCOC1 ZINC000816593163 678944065 /nfs/dbraw/zinc/94/40/65/678944065.db2.gz HBXVXVGLCJCTOX-CYBMUJFWSA-N 0 0 289.734 1.816 20 10 CDCDRN COC(=O)c1ccc(CNC(=O)c2cccc(O)c2O)o1 ZINC000791759513 678944728 /nfs/dbraw/zinc/94/47/28/678944728.db2.gz ZERIKWKMHBJMEH-UHFFFAOYSA-N 0 0 291.259 1.407 20 10 CDCDRN CCn1c(C)cc(C(=O)OCC(=O)C(C)=O)c1C ZINC000808491528 678947949 /nfs/dbraw/zinc/94/79/49/678947949.db2.gz PBWFRCPQBBLUED-UHFFFAOYSA-N 0 0 251.282 1.440 20 10 CDCDRN CCN1CCC[C@@H](NC(=O)C2=CC(=O)CS2)C1=O ZINC000928870336 678986898 /nfs/dbraw/zinc/98/68/98/678986898.db2.gz STNYMMRGDAIBCH-SECBINFHSA-N 0 0 268.338 1.194 20 10 CDCDRN C[C@H](OC(=O)c1cccc(O)c1O)C(=O)NC1CCCC1 ZINC000776281746 678992127 /nfs/dbraw/zinc/99/21/27/678992127.db2.gz JOTCUVHWCAPDOH-VIFPVBQESA-N 0 0 293.319 1.702 20 10 CDCDRN Cc1ccc(O)c(CNC(=O)O[C@H]2CCOC2)c1 ZINC000918004033 678993046 /nfs/dbraw/zinc/99/30/46/678993046.db2.gz JZKFDDFQFZBIFT-NSHDSACASA-N 0 0 251.282 1.716 20 10 CDCDRN COC(=O)NCCCC(=O)N[C@H](C)c1ccccc1O ZINC000827937109 679010895 /nfs/dbraw/zinc/01/08/95/679010895.db2.gz KXFTUTBJRVIAML-SNVBAGLBSA-N 0 0 280.324 1.706 20 10 CDCDRN CCN(C(=O)c1cccc(O)c1O)C(C)(C)C(=O)OC ZINC000886428083 679015185 /nfs/dbraw/zinc/01/51/85/679015185.db2.gz IDXZWPVWKRDZIK-UHFFFAOYSA-N 0 0 281.308 1.512 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)c1cn(C2CC2)nn1 ZINC000860048627 679015567 /nfs/dbraw/zinc/01/55/67/679015567.db2.gz YNYFGJQCIWCEOL-UHFFFAOYSA-N 0 0 272.308 1.591 20 10 CDCDRN O=C(Cn1cc(NCc2ccccc2O)cn1)NC1CC1 ZINC000037786818 679028209 /nfs/dbraw/zinc/02/82/09/679028209.db2.gz HJMTWRBCBHZAPN-UHFFFAOYSA-N 0 0 286.335 1.479 20 10 CDCDRN CNC(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000322515742 679028243 /nfs/dbraw/zinc/02/82/43/679028243.db2.gz KDNBEFNCKLKMBN-IUCAKERBSA-N 0 0 254.305 1.707 20 10 CDCDRN C[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)c1c([O-])cccc1F ZINC000886635892 679029939 /nfs/dbraw/zinc/02/99/39/679029939.db2.gz AWGIPADNPKPEAG-IAQYHMDHSA-N 0 0 299.342 1.350 20 10 CDCDRN COc1c(O)c(CN2CC[C@H]([NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000846702193 679033884 /nfs/dbraw/zinc/03/38/84/679033884.db2.gz GGRBYYJHYJWBIK-ONGXEEELSA-N 0 0 295.339 1.621 20 10 CDCDRN COc1cccc(CNC(=O)CCc2cnn(C)c2)c1O ZINC000105650197 679038024 /nfs/dbraw/zinc/03/80/24/679038024.db2.gz REBDZJMMRJREEM-UHFFFAOYSA-N 0 0 289.335 1.383 20 10 CDCDRN COCCn1ccc(C(=O)NCc2cc(C)ccc2O)n1 ZINC000862757483 679039677 /nfs/dbraw/zinc/03/96/77/679039677.db2.gz WACZXZLDUGGRGF-UHFFFAOYSA-N 0 0 289.335 1.474 20 10 CDCDRN COCC[C@H](C)NC(=O)NCc1cc(OC)ccc1O ZINC000114593760 679046672 /nfs/dbraw/zinc/04/66/72/679046672.db2.gz IVOCYDDNITWWFE-JTQLQIEISA-N 0 0 282.340 1.625 20 10 CDCDRN CCCCS(=O)(=O)CC(=O)NCc1cc(C)ccc1O ZINC000827165996 679047662 /nfs/dbraw/zinc/04/76/62/679047662.db2.gz DHZMXKIBFTYICI-UHFFFAOYSA-N 0 0 299.392 1.532 20 10 CDCDRN COC(=O)[C@@H](CC(F)F)NCc1cccc(OC)c1O ZINC000789578437 679071675 /nfs/dbraw/zinc/07/16/75/679071675.db2.gz AKPYRSJISQVDRQ-SECBINFHSA-N 0 0 289.278 1.687 20 10 CDCDRN CSC[C@H](CCO)NC(=O)c1ccc(C)c(O)c1O ZINC000780984040 679079854 /nfs/dbraw/zinc/07/98/54/679079854.db2.gz ODCYOGVTAXPMSM-VIFPVBQESA-N 0 0 285.365 1.250 20 10 CDCDRN CC(C)N(C(=O)COC(=O)c1cccc(O)c1O)C(C)C ZINC000776281857 679087139 /nfs/dbraw/zinc/08/71/39/679087139.db2.gz LTQNBCVGYHYEMD-UHFFFAOYSA-N 0 0 295.335 1.900 20 10 CDCDRN Nc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000868299516 679089857 /nfs/dbraw/zinc/08/98/57/679089857.db2.gz GPSXTWMTNZAKOE-RKDXNWHRSA-N 0 0 287.241 1.274 20 10 CDCDRN COc1ccc(O)c([C@H](C)NCc2cn(C)nn2)c1 ZINC000389833165 679107166 /nfs/dbraw/zinc/10/71/66/679107166.db2.gz JYGMQFYLJYKAKB-VIFPVBQESA-N 0 0 262.313 1.380 20 10 CDCDRN Cc1ccc(C(=O)N2CC(=O)Nc3cnccc32)c(O)c1O ZINC000780953445 679119392 /nfs/dbraw/zinc/11/93/92/679119392.db2.gz WWLKWWQYVADRMS-UHFFFAOYSA-N 0 0 299.286 1.400 20 10 CDCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc[nH]1 ZINC000181135773 679120426 /nfs/dbraw/zinc/12/04/26/679120426.db2.gz XCKBCNRKJVRVOT-GQCTYLIASA-N 0 0 258.277 1.756 20 10 CDCDRN Cc1noc(C2(NC(=O)C3=CC(=O)CS3)CC2)n1 ZINC000889246177 679121312 /nfs/dbraw/zinc/12/13/12/679121312.db2.gz KHRJLKFRHZUYQG-UHFFFAOYSA-N 0 0 265.294 1.564 20 10 CDCDRN COC[C@@]1(C(=O)[O-])CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000381431749 679123219 /nfs/dbraw/zinc/12/32/19/679123219.db2.gz USYDVOLRZOZEGC-CQSZACIVSA-N 0 0 283.299 1.454 20 10 CDCDRN CN(C)c1ccc(CNC(=O)N[C@]23C[C@H]2COC3)cc1F ZINC000888003435 679126971 /nfs/dbraw/zinc/12/69/71/679126971.db2.gz PIZLKERJRWBPTP-NHYWBVRUSA-N 0 0 293.342 1.480 20 10 CDCDRN NC(=O)c1cccc(C(=O)NCc2ccccc2O)c1 ZINC000701156605 679131571 /nfs/dbraw/zinc/13/15/71/679131571.db2.gz FVLHJYLQCXPRSJ-UHFFFAOYSA-N 0 0 270.288 1.421 20 10 CDCDRN C[C@H]1COCC[C@@H]1CNC(=O)NCc1ccccc1O ZINC000805821206 679137942 /nfs/dbraw/zinc/13/79/42/679137942.db2.gz GUPVLMCQPNKOCR-NWDGAFQWSA-N 0 0 278.352 1.864 20 10 CDCDRN COC[C@@H](C)CNC(=O)N(C)Cc1ccccc1O ZINC000172491463 679146406 /nfs/dbraw/zinc/14/64/06/679146406.db2.gz DVIGETCNQUVTHA-NSHDSACASA-N 0 0 266.341 1.816 20 10 CDCDRN O=C(NCc1ccc(O)c(O)c1)c1ccn(C(F)F)n1 ZINC000778920079 679154060 /nfs/dbraw/zinc/15/40/60/679154060.db2.gz VJDZYXXJWYQOFK-UHFFFAOYSA-N 0 0 283.234 1.619 20 10 CDCDRN CO[C@H](C)CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000195388861 679177173 /nfs/dbraw/zinc/17/71/73/679177173.db2.gz AQCZZAHPLCXJBB-SNVBAGLBSA-N 0 0 268.332 1.933 20 10 CDCDRN O=C(Nc1ccc2c(c1)C(=O)NCC2)c1cccc(O)c1O ZINC000790739713 679188123 /nfs/dbraw/zinc/18/81/23/679188123.db2.gz KBMHQAMOPMWBDA-UHFFFAOYSA-N 0 0 298.298 1.636 20 10 CDCDRN CO[C@@](C)(CO)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886633188 679196929 /nfs/dbraw/zinc/19/69/29/679196929.db2.gz OVLKTGCRTMEPCV-NOZJJQNGSA-N 0 0 257.305 1.579 20 10 CDCDRN COC(=O)C1(C(=O)COC(=O)C2=CC(=O)CS2)CC1 ZINC000848718212 679197404 /nfs/dbraw/zinc/19/74/04/679197404.db2.gz JYGXOXJYFOREPS-UHFFFAOYSA-N 0 0 284.289 1.133 20 10 CDCDRN Nc1ccc(CC(=O)NC[C@@H](CO)Cc2ccccc2)cc1 ZINC000831160929 679201210 /nfs/dbraw/zinc/20/12/10/679201210.db2.gz LLHLVRZZABYCIR-INIZCTEOSA-N 0 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CCN(CC)c1ccc(C[NH2+]C[C@@H](O)C(=O)[O-])cc1 ZINC001332031427 957407849 /nfs/dbraw/zinc/40/78/49/957407849.db2.gz CREDECBJGMUDMP-CYBMUJFWSA-N 0 0 266.341 1.068 20 10 CDCDRN C[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)n1ccnc1 ZINC001320794746 959395282 /nfs/dbraw/zinc/39/52/82/959395282.db2.gz WHRUEIWVDLLDDY-NSHDSACASA-N 0 0 290.342 1.966 20 10 CDCDRN CC(C)CN1CCN(Cc2ccc(N)cc2)CC1=O ZINC001336117555 960210991 /nfs/dbraw/zinc/21/09/91/960210991.db2.gz PDBSFFMSKPMOEH-UHFFFAOYSA-N 0 0 261.369 1.569 20 10 CDCDRN CN(C)c1ccc(CNC(=O)CO[C@@H]2CCOC2)cc1 ZINC001323525865 960793791 /nfs/dbraw/zinc/79/37/91/960793791.db2.gz KNWKUIYDVCSYJX-CQSZACIVSA-N 0 0 278.352 1.174 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC=CCC1 ZINC001323591302 960846434 /nfs/dbraw/zinc/84/64/34/960846434.db2.gz VYLYBNYHXZCPED-CYBMUJFWSA-N 0 0 288.347 1.576 20 10 CDCDRN CCOc1cncc(NCCc2ccc(O)c(O)c2)n1 ZINC001323959263 961069376 /nfs/dbraw/zinc/06/93/76/961069376.db2.gz BGVZSUJYKIMZDS-UHFFFAOYSA-N 0 0 275.308 1.941 20 10 CDCDRN 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[O-]c1cc(F)c(Cl)cc1C[NH2+]CCCn1cncn1 ZINC000816547154 683676902 /nfs/dbraw/zinc/67/69/02/683676902.db2.gz LXRXUTMMAOJNJQ-UHFFFAOYSA-N 0 0 284.722 1.956 20 10 CDCDRN COc1ccc(O)c(CNC(=O)Nc2ccnc(C)n2)c1 ZINC000776498740 683681175 /nfs/dbraw/zinc/68/11/75/683681175.db2.gz ALBQMXMILNPFHG-UHFFFAOYSA-N 0 0 288.307 1.821 20 10 CDCDRN CC(C)NC(=O)[C@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708518079 683743348 /nfs/dbraw/zinc/74/33/48/683743348.db2.gz ZHFUENFDTAVCLS-QMMMGPOBSA-N 0 0 272.295 1.673 20 10 CDCDRN CCO/C=C\C(=O)NCc1cc(OC)ccc1O ZINC000847591545 683757106 /nfs/dbraw/zinc/75/71/06/683757106.db2.gz WMIYLNYOYVZKNZ-SREVYHEPSA-N 0 0 251.282 1.567 20 10 CDCDRN Cn1cc(C=C2SC(=S)NC2=O)c(C(F)F)n1 ZINC000812239793 683787304 /nfs/dbraw/zinc/78/73/04/683787304.db2.gz FKQQOIBSTOLCRW-GORDUTHDSA-N 0 0 275.305 1.847 20 10 CDCDRN O=C(NCc1nc2c(s1)COCC2)C1=CC(=O)CS1 ZINC000885971651 683813209 /nfs/dbraw/zinc/81/32/09/683813209.db2.gz FAORRXHNKAFNPF-UHFFFAOYSA-N 0 0 296.373 1.913 20 10 CDCDRN Nc1ccc(NC(=O)C(=O)N[C@@H](C2CC2)C2CCC2)cc1 ZINC000841141551 683814749 /nfs/dbraw/zinc/81/47/49/683814749.db2.gz LKALWSJJYIFZKL-CQSZACIVSA-N 0 0 287.363 1.902 20 10 CDCDRN CO[C@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881849259 683829168 /nfs/dbraw/zinc/82/91/68/683829168.db2.gz DEMRUSPWUSUWLX-CYBMUJFWSA-N 0 0 291.395 1.090 20 10 CDCDRN CC(C)C[C@H](C(N)=O)C(=O)NCc1ccccc1O ZINC000839612042 683844743 /nfs/dbraw/zinc/84/47/43/683844743.db2.gz MQDDQBIYCOTPRU-LLVKDONJSA-N 0 0 264.325 1.156 20 10 CDCDRN CC[C@H](NC(=O)c1c(F)ccc(O)c1O)[C@@H]1CCCO1 ZINC000790075780 683859315 /nfs/dbraw/zinc/85/93/15/683859315.db2.gz NTYGYLFYBRHJQG-ONGXEEELSA-N 0 0 283.299 1.924 20 10 CDCDRN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1(CO)CC1 ZINC000855480301 683862147 /nfs/dbraw/zinc/86/21/47/683862147.db2.gz GEHNAJIWAKQRSY-GFAPAMAISA-N 0 0 277.320 1.388 20 10 CDCDRN COC[C@@H](CNC(=O)c1cccc(O)c1O)C(C)C ZINC000885801610 683873705 /nfs/dbraw/zinc/87/37/05/683873705.db2.gz UAEARTYTVMOSBG-SNVBAGLBSA-N 0 0 267.325 1.746 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COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2(N(C)C)CC2)c1 ZINC000841763660 683901367 /nfs/dbraw/zinc/90/13/67/683901367.db2.gz OZMSYNGJFGMEKA-LLVKDONJSA-N 0 0 292.379 1.924 20 10 CDCDRN COCC[C@@](C)(O)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886528867 683933722 /nfs/dbraw/zinc/93/37/22/683933722.db2.gz SLXHPMCDXCZZGF-IINYFYTJSA-N 0 0 271.332 1.969 20 10 CDCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000883146516 683939197 /nfs/dbraw/zinc/93/91/97/683939197.db2.gz PDLJCBHIYLEZAQ-TVQRCGJNSA-N 0 0 287.306 1.548 20 10 CDCDRN CC(C)N(C)S(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000046865429 683943969 /nfs/dbraw/zinc/94/39/69/683943969.db2.gz GXGNHAMISJAUDY-UHFFFAOYSA-N 0 0 299.440 1.769 20 10 CDCDRN Cc1cc(C)c(O)c(CN2CCS(=O)(=O)C[C@@H](C)C2)c1 ZINC000191376624 683953530 /nfs/dbraw/zinc/95/35/30/683953530.db2.gz OTFZPZAVJIWKHE-LBPRGKRZSA-N 0 0 297.420 1.876 20 10 CDCDRN CCS(=O)(=O)C1CN(Cc2c(O)cccc2OC)C1 ZINC000841885950 683961813 /nfs/dbraw/zinc/96/18/13/683961813.db2.gz HZEOMQHLVAOXMS-UHFFFAOYSA-N 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C[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccc(F)cc1[O-] ZINC000186088489 262078950 /nfs/dbraw/zinc/07/89/50/262078950.db2.gz HBJGEBBCUWHCNW-KOLCDFICSA-N 0 0 278.327 1.945 20 10 CDCDRN CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000186223646 262311990 /nfs/dbraw/zinc/31/19/90/262311990.db2.gz LXDWXCRDTSHQRT-VIFPVBQESA-N 0 0 268.332 1.954 20 10 CDCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc[n+]1[O-] ZINC000266379480 289412394 /nfs/dbraw/zinc/41/23/94/289412394.db2.gz WWESZRBXOPEMBM-UHFFFAOYSA-N 0 0 299.330 1.425 20 10 CDCDRN Cc1ccc(C(=O)N2CCO[C@H]3CCC[C@@H]32)c(O)c1O ZINC000272765320 301511363 /nfs/dbraw/zinc/51/13/63/301511363.db2.gz LZUQCGIKELVVCV-RYUDHWBXSA-N 0 0 277.320 1.800 20 10 CDCDRN Cc1c([C@H](C)NC(=O)c2ccc(C)c(O)c2O)cnn1C ZINC000181943377 327811368 /nfs/dbraw/zinc/81/13/68/327811368.db2.gz RAUIRVXYUURJEO-VIFPVBQESA-N 0 0 289.335 1.939 20 10 CDCDRN Cc1nnc(C(=O)NCCc2ccc(O)c(O)c2)s1 ZINC000183335080 327819400 /nfs/dbraw/zinc/81/94/00/327819400.db2.gz QVIQQSWLQYNVDQ-UHFFFAOYSA-N 0 0 279.321 1.230 20 10 CDCDRN Cc1cncc(/C=C\C(=O)N(C)c2ccn(C)n2)c1 ZINC000492692818 332410015 /nfs/dbraw/zinc/41/00/15/332410015.db2.gz ZSXPPOSSUIOAGO-PLNGDYQASA-N 0 0 256.309 1.800 20 10 CDCDRN CCc1nn(C)cc1C(=O)NCCc1ccc(N)cc1 ZINC000227544565 333285492 /nfs/dbraw/zinc/28/54/92/333285492.db2.gz DJIUYUNEVZIHOZ-UHFFFAOYSA-N 0 0 272.352 1.537 20 10 CDCDRN COc1ccc(O)c(CNC(=O)c2cnn(C3CC3)c2)c1 ZINC000528859537 333462153 /nfs/dbraw/zinc/46/21/53/333462153.db2.gz DMPPLOYUPUQGHK-UHFFFAOYSA-N 0 0 287.319 1.862 20 10 CDCDRN Cc1cc(C)c(CNC(=O)[C@H]2CCCS2(=O)=O)c(O)c1 ZINC001143482423 1159531372 /nfs/dbraw/zinc/53/13/72/1159531372.db2.gz BEZSDAUKIFQVKD-CYBMUJFWSA-N 0 0 297.376 1.202 20 10 CDCDRN CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000055522894 519676920 /nfs/dbraw/zinc/67/69/20/519676920.db2.gz MXHNSCODRMCFIX-UHFFFAOYSA-N 0 0 252.289 1.298 20 10 CDCDRN CCOC(=O)C(C)(C)NC(=O)c1cccc(O)c1O ZINC000274935997 520423883 /nfs/dbraw/zinc/42/38/83/520423883.db2.gz FHPKBQQRDJWQMM-UHFFFAOYSA-N 0 0 267.281 1.169 20 10 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728919806 /nfs/dbraw/zinc/91/98/06/728919806.db2.gz JFYKQYVVXDWOLH-UHFFFAOYSA-N 0 0 283.299 1.926 20 10 CDCDRN CN(Cc1nnn(C(C)(C)C)n1)Cc1ccccc1O ZINC000846824911 728381927 /nfs/dbraw/zinc/38/19/27/728381927.db2.gz QJHYUBHTBAAHLJ-UHFFFAOYSA-N 0 0 275.356 1.766 20 10 CDCDRN COC(OC)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000822082082 728389778 /nfs/dbraw/zinc/38/97/78/728389778.db2.gz IVCGSWQWEXAYIO-SNVBAGLBSA-N 0 0 266.341 1.549 20 10 CDCDRN C[C@H](NC(=O)Nc1cnnn1C)c1ccc(N(C)C)cc1 ZINC000809901072 728459115 /nfs/dbraw/zinc/45/91/15/728459115.db2.gz LTTFENLLSUPVTE-JTQLQIEISA-N 0 0 288.355 1.764 20 10 CDCDRN Oc1ccc(Cl)cc1CN1CCN([C@H]2CCOC2)CC1 ZINC000827120743 728463092 /nfs/dbraw/zinc/46/30/92/728463092.db2.gz VKZBWJIIMUJVMZ-AWEZNQCLSA-N 0 0 296.798 1.952 20 10 CDCDRN C[C@@H](NCc1nncn1C)c1cc(F)ccc1O ZINC000094617736 728474533 /nfs/dbraw/zinc/47/45/33/728474533.db2.gz RDCQABRKMKAZGS-MRVPVSSYSA-N 0 0 250.277 1.511 20 10 CDCDRN CCc1nocc1/C=C1\SC(N2CCOCC2)=NC1=O ZINC000834412518 728484473 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ZINC000808492772 728560368 /nfs/dbraw/zinc/56/03/68/728560368.db2.gz FEYGAEIYPIFAEK-UHFFFAOYSA-N 0 0 297.288 1.632 20 10 CDCDRN C[S@@](=O)C1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708534641 728562574 /nfs/dbraw/zinc/56/25/74/728562574.db2.gz CCZOVUHKWZOKPR-GOSISDBHSA-N 0 0 275.320 1.671 20 10 CDCDRN COc1ccc(O)c(CNC(=O)NOCC2CC2)c1 ZINC000838609673 728571100 /nfs/dbraw/zinc/57/11/00/728571100.db2.gz OAAGCMOWGDDGSD-UHFFFAOYSA-N 0 0 266.297 1.542 20 10 CDCDRN Nc1ccc(CCNC(=O)NCCCCCCO)cc1 ZINC000841958985 728571248 /nfs/dbraw/zinc/57/12/48/728571248.db2.gz JQLNDJNUGISUDV-UHFFFAOYSA-N 0 0 279.384 1.663 20 10 CDCDRN Cc1cc(Cn2cc(C(C)(C)O)nn2)ccc1N(C)C ZINC000881378347 728576056 /nfs/dbraw/zinc/57/60/56/728576056.db2.gz NHUJVCRVMFSVLN-UHFFFAOYSA-N 0 0 274.368 1.928 20 10 CDCDRN CC1(C)CN(C(=O)c2cccc(O)c2O)[C@@H]2COC[C@@H]21 ZINC000384853884 728579515 /nfs/dbraw/zinc/57/95/15/728579515.db2.gz CPDOTHPICJEHTK-WDEREUQCSA-N 0 0 277.320 1.595 20 10 CDCDRN COCC(COC)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000388489077 728582265 /nfs/dbraw/zinc/58/22/65/728582265.db2.gz FODLQLDVABOQLM-SECBINFHSA-N 0 0 257.305 1.843 20 10 CDCDRN CCN(C)c1ccc(Cn2cc(C(=O)N(C)C)nn2)cc1 ZINC000881313398 728590195 /nfs/dbraw/zinc/59/01/95/728590195.db2.gz LKYKAMXBBFOFKO-UHFFFAOYSA-N 0 0 287.367 1.484 20 10 CDCDRN COc1ccc(N(C)C[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000789295626 728975001 /nfs/dbraw/zinc/97/50/01/728975001.db2.gz SDQUYBFGZXNMGK-NSHDSACASA-N 0 0 299.392 1.575 20 10 CDCDRN COc1c([O-])c(C[NH2+]CC2(O)CCC2)ccc1[N+](=O)[O-] ZINC000775020529 728989483 /nfs/dbraw/zinc/98/94/83/728989483.db2.gz HORZAXZRPRXEGA-UHFFFAOYSA-N 0 0 282.296 1.314 20 10 CDCDRN CCOC(=O)/C=C/CN(C)c1ccc2c(c1)OCO2 ZINC000930095682 729005914 /nfs/dbraw/zinc/00/59/14/729005914.db2.gz ZCERIRAWUMFHGP-SNAWJCMRSA-N 0 0 263.293 1.971 20 10 CDCDRN COC[C@H](OC)C(=O)NCc1cc(Cl)ccc1O ZINC000855023266 729013039 /nfs/dbraw/zinc/01/30/39/729013039.db2.gz WVGWSIXRNVRHKT-NSHDSACASA-N 0 0 273.716 1.323 20 10 CDCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCOC2)cc1 ZINC000178767500 729057762 /nfs/dbraw/zinc/05/77/62/729057762.db2.gz MBINACJSSPYTCX-CYBMUJFWSA-N 0 0 277.368 1.683 20 10 CDCDRN O=C1CNC(=O)N1CCCSc1ncc(Cl)s1 ZINC000849999452 729077190 /nfs/dbraw/zinc/07/71/90/729077190.db2.gz RWRCNHKTGNBCBQ-UHFFFAOYSA-N 0 0 291.785 1.831 20 10 CDCDRN [O-]c1c(Br)cccc1C[NH2+][C@H]1C[C@H](O)C1 ZINC000850418014 729085331 /nfs/dbraw/zinc/08/53/31/729085331.db2.gz VNQRKLBNKBHCHO-KYZUINATSA-N 0 0 272.142 1.768 20 10 CDCDRN COc1ccc(N(C)CC(=O)N=[S@@](C)(=O)N(C)C)cc1 ZINC000878800768 729100915 /nfs/dbraw/zinc/10/09/15/729100915.db2.gz BHUKQHTYGPOQDL-HXUWFJFHSA-N 0 0 299.396 1.232 20 10 CDCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CC(C(F)F)C1 ZINC000779533284 729106537 /nfs/dbraw/zinc/10/65/37/729106537.db2.gz IFDNDDZPEUZDBI-RQOWECAXSA-N 0 0 269.247 1.835 20 10 CDCDRN COC/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000864470174 729139991 /nfs/dbraw/zinc/13/99/91/729139991.db2.gz DZEGSLYWKJQAIM-ARJAWSKDSA-N 0 0 290.363 1.546 20 10 CDCDRN COc1cccc(CNC(=O)Cc2ccc(O)cc2)c1O ZINC000133584759 729166978 /nfs/dbraw/zinc/16/69/78/729166978.db2.gz AWIRDZXHURBEJO-UHFFFAOYSA-N 0 0 287.315 1.965 20 10 CDCDRN CC[C@@H]1C(=O)NCCN1Cc1cc(Cl)ccc1O ZINC000093050076 729168168 /nfs/dbraw/zinc/16/81/68/729168168.db2.gz IJOSLTZHPQYRTM-LLVKDONJSA-N 0 0 268.744 1.756 20 10 CDCDRN Cc1n[nH]nc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000789987211 729169190 /nfs/dbraw/zinc/16/91/90/729169190.db2.gz SOZHKNNYSFKYIT-UHFFFAOYSA-N 0 0 287.323 1.218 20 10 CDCDRN Cc1ccc(C(=O)N2CCc3c[nH]nc3C2)c(O)c1O ZINC000780993760 729175628 /nfs/dbraw/zinc/17/56/28/729175628.db2.gz PQAWJVWXNNGKDV-UHFFFAOYSA-N 0 0 273.292 1.328 20 10 CDCDRN Cc1cc(O)c(CN2CCNC(=O)CC2)cc1Cl ZINC000824713833 729175925 /nfs/dbraw/zinc/17/59/25/729175925.db2.gz KGMSYZYRGXUZNN-UHFFFAOYSA-N 0 0 268.744 1.676 20 10 CDCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC[C@H]2C(N)=O)c1 ZINC000847591374 729206092 /nfs/dbraw/zinc/20/60/92/729206092.db2.gz UUFJPZPVCMYYDP-JMJZKYOTSA-N 0 0 292.335 1.090 20 10 CDCDRN Cc1ccc(C(=O)OCC(=O)NC(C)C)c(O)c1O ZINC000060343461 729210754 /nfs/dbraw/zinc/21/07/54/729210754.db2.gz IYAVAAPICDILDB-UHFFFAOYSA-N 0 0 267.281 1.088 20 10 CDCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCOCC12CC2 ZINC000802291538 729238882 /nfs/dbraw/zinc/23/88/82/729238882.db2.gz IOKMEJAFYJCXKJ-DUXPYHPUSA-N 0 0 275.304 1.502 20 10 CDCDRN [O-]c1c(CN2CC[NH+]([C@H]3CCOC3)CC2)ccc(F)c1F ZINC000877627643 729238983 /nfs/dbraw/zinc/23/89/83/729238983.db2.gz UUOVIBKKZRWRSU-LBPRGKRZSA-N 0 0 298.333 1.577 20 10 CDCDRN COc1ccc(O)c(CNC(=O)CCOC(C)C)c1 ZINC000114544108 729244136 /nfs/dbraw/zinc/24/41/36/729244136.db2.gz XGBZFNAFFORRIL-UHFFFAOYSA-N 0 0 267.325 1.832 20 10 CDCDRN Cc1ccc(O)c(CNC(=O)C2(O)CCSCC2)c1 ZINC000862757966 729245594 /nfs/dbraw/zinc/24/55/94/729245594.db2.gz KFAKIJKTWCNEPN-UHFFFAOYSA-N 0 0 281.377 1.575 20 10 CDCDRN CC[C@](C)(CO)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000782027267 729266083 /nfs/dbraw/zinc/26/60/83/729266083.db2.gz WPXAIHMZUDSLQL-BRLPQQTGSA-N 0 0 265.309 1.388 20 10 CDCDRN CC(=O)c1cc(Cl)cc(Cn2cc(CO)nn2)c1O ZINC000880999295 729271552 /nfs/dbraw/zinc/27/15/52/729271552.db2.gz JTVCOCCECYOYLO-UHFFFAOYSA-N 0 0 281.699 1.380 20 10 CDCDRN CNc1ccc(C(=O)NCc2cccc(OC)c2O)cn1 ZINC000802781658 729289534 /nfs/dbraw/zinc/28/95/34/729289534.db2.gz FFPYPFWFEHBWNE-UHFFFAOYSA-N 0 0 287.319 1.768 20 10 CDCDRN C[C@H](NC(=O)C(=O)NCCc1ccc(N)cc1)C1CCC1 ZINC000842139631 729315906 /nfs/dbraw/zinc/31/59/06/729315906.db2.gz AFGIVXAVPURQPL-NSHDSACASA-N 0 0 289.379 1.232 20 10 CDCDRN CC1=NO[C@H](C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000827963213 729317924 /nfs/dbraw/zinc/31/79/24/729317924.db2.gz ZYGFLUSWUAQQIQ-AWEZNQCLSA-N 0 0 275.352 1.842 20 10 CDCDRN C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817980855 729325972 /nfs/dbraw/zinc/32/59/72/729325972.db2.gz FBOPDOODSKXVCE-JQWIXIFHSA-N 0 0 295.339 1.330 20 10 CDCDRN COC(=O)CCC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775408792 729330473 /nfs/dbraw/zinc/33/04/73/729330473.db2.gz BYWXMIAZKMWGKQ-LLVKDONJSA-N 0 0 278.352 1.883 20 10 CDCDRN CC(C)(C)CCS(=O)(=O)NCc1ccc(O)cc1O ZINC000867416991 729331694 /nfs/dbraw/zinc/33/16/94/729331694.db2.gz KRTZFJGLUHQYGR-UHFFFAOYSA-N 0 0 287.381 1.953 20 10 CDCDRN COc1cc(Cl)cc(CN2CC[C@](F)(CO)C2)c1O ZINC000802661047 729360596 /nfs/dbraw/zinc/36/05/96/729360596.db2.gz FHVVVMGDHRDCMB-CYBMUJFWSA-N 0 0 289.734 1.961 20 10 CDCDRN CCN1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1=O ZINC000922639383 729369880 /nfs/dbraw/zinc/36/98/80/729369880.db2.gz JXNYVGOVMTUSEX-LBPRGKRZSA-N 0 0 293.323 1.401 20 10 CDCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2C=CCC2)c1 ZINC000853736431 729397249 /nfs/dbraw/zinc/39/72/49/729397249.db2.gz AWDBBKPFTOOTOS-LLVKDONJSA-N 0 0 262.309 1.919 20 10 CDCDRN CC(=O)N1CC[C@@H](NC(=O)N[C@H](C)c2ccccc2O)C1 ZINC000868795617 729398654 /nfs/dbraw/zinc/39/86/54/729398654.db2.gz QDSPKDWWZLJDDM-ZYHUDNBSSA-N 0 0 291.351 1.373 20 10 CDCDRN CC(=O)C(=O)CSc1ncc2c(n1)CC(C)(C)CC2=O ZINC000865370219 729402163 /nfs/dbraw/zinc/40/21/63/729402163.db2.gz BKPVXWDJUVITFX-UHFFFAOYSA-N 0 0 292.360 1.882 20 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293.758 1.527 20 10 CDCDRN CN(C)c1ccc(CNC(=O)N(C)Cc2ncc[nH]2)cc1 ZINC000875017244 729738242 /nfs/dbraw/zinc/73/82/42/729738242.db2.gz WVPDAMVCCMEYHS-UHFFFAOYSA-N 0 0 287.367 1.817 20 10 CDCDRN C[C@@H]1CCCN(C(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC000842237117 729748664 /nfs/dbraw/zinc/74/86/64/729748664.db2.gz BCHMOIXTVYFSFH-GFCCVEGCSA-N 0 0 289.379 1.186 20 10 CDCDRN CC(=O)C(=O)COC(=O)c1ccc(OC(C)C)cc1 ZINC000808484075 729749600 /nfs/dbraw/zinc/74/96/00/729749600.db2.gz HWECKYHKTHUKNT-UHFFFAOYSA-N 0 0 264.277 1.789 20 10 CDCDRN Cc1ccc(C(=O)N2C[C@@H](C)N(C)C[C@H]2C)c(O)c1O ZINC000781009196 729751222 /nfs/dbraw/zinc/75/12/22/729751222.db2.gz VCCGWCUCPNKUOP-GHMZBOCLSA-N 0 0 278.352 1.571 20 10 CDCDRN CCOC(=O)CN(Cc1ccon1)Cc1ccccc1O ZINC000823576467 729798800 /nfs/dbraw/zinc/79/88/00/729798800.db2.gz OZINCAMYJBDVCJ-UHFFFAOYSA-N 0 0 290.319 1.946 20 10 CDCDRN O=C(CSc1nccs1)NC(=O)NC1CC1 ZINC000048874630 729828182 /nfs/dbraw/zinc/82/81/82/729828182.db2.gz MYOSNONGKRRFLE-UHFFFAOYSA-N 0 0 257.340 1.223 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20 10 CDCDRN Cc1ccc(C(=O)N(C)C[C@H](O)C(F)(F)F)c(O)c1O ZINC000182985939 729875948 /nfs/dbraw/zinc/87/59/48/729875948.db2.gz QSLQVLIXNIFEME-QMMMGPOBSA-N 0 0 293.241 1.401 20 10 CDCDRN CCc1c[nH]c(=O)c(C(=O)NCCc2ccc(N)cc2)c1 ZINC000852796008 729877267 /nfs/dbraw/zinc/87/72/67/729877267.db2.gz OJPWAJRGPLUKMN-UHFFFAOYSA-N 0 0 285.347 1.904 20 10 CDCDRN CC[C@@H](C)CN(C)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841036034 729880030 /nfs/dbraw/zinc/88/00/30/729880030.db2.gz NLBZDQITDQONPL-SNVBAGLBSA-N 0 0 263.341 1.712 20 10 CDCDRN Cc1nc(C)n(C2CN(C(=O)C3=CC(=O)CS3)C2)n1 ZINC000820048427 729881983 /nfs/dbraw/zinc/88/19/83/729881983.db2.gz VHTMVLLXTTWRPX-UHFFFAOYSA-N 0 0 278.337 1.359 20 10 CDCDRN CCOc1ccc(CN2CCN(C)C(=O)[C@H]2C)c(O)c1 ZINC000779200068 729883543 /nfs/dbraw/zinc/88/35/43/729883543.db2.gz SSVUSHORVATEHW-LLVKDONJSA-N 0 0 278.352 1.453 20 10 CDCDRN Cc1cc(Cn2cc(Cn3cncn3)nn2)ccc1N(C)C ZINC000881378035 729902629 /nfs/dbraw/zinc/90/26/29/729902629.db2.gz CEACXNGSMYLJJE-UHFFFAOYSA-N 0 0 297.366 1.341 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522835952 /nfs/dbraw/zinc/83/59/52/522835952.db2.gz JNYRYYXTBZVUPH-ZDUSSCGKSA-N 0 0 250.342 1.794 20 10 CDCDRN COC(=O)C[C@H](C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000274926569 523320238 /nfs/dbraw/zinc/32/02/38/523320238.db2.gz MLPGFVQPYRVPQJ-VHSXEESVSA-N 0 0 295.335 1.344 20 10 CDCDRN COc1ccc(O)c(CN2C[C@@H](C)S(=O)(=O)[C@@H](C)C2)c1 ZINC000290814595 524744738 /nfs/dbraw/zinc/74/47/38/524744738.db2.gz GJSXWUYSCZAMSU-PHIMTYICSA-N 0 0 299.392 1.408 20 10 CDCDRN C[C@@H](NC(=O)C1CCCC1)C(=O)NCc1ccccc1O ZINC000299610759 525067620 /nfs/dbraw/zinc/06/76/20/525067620.db2.gz XPCYCGGJCIZECG-LLVKDONJSA-N 0 0 290.363 1.703 20 10 CDCDRN C[C@H](O)CCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000265166018 525724069 /nfs/dbraw/zinc/72/40/69/525724069.db2.gz NRPVRXZTVMFJIW-LBPRGKRZSA-N 0 0 291.395 1.639 20 10 CDCDRN C[C@H](O)CCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000265205752 525724106 /nfs/dbraw/zinc/72/41/06/525724106.db2.gz USHGXBXJAPBJHE-JTQLQIEISA-N 0 0 283.347 1.462 20 10 CDCDRN COc1cccc(CN2CCN(C(=O)C(C)C)CC2)c1O ZINC000264017658 525943491 /nfs/dbraw/zinc/94/34/91/525943491.db2.gz VJMOTTCHOVFVPR-UHFFFAOYSA-N 0 0 292.379 1.701 20 10 CDCDRN COc1cccc(CNC(=O)[C@@H](C)n2cccn2)c1O ZINC000264252107 525995081 /nfs/dbraw/zinc/99/50/81/525995081.db2.gz GVIRYXILDSHXBP-SNVBAGLBSA-N 0 0 275.308 1.475 20 10 CDCDRN Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)n1C ZINC000122015312 526170014 /nfs/dbraw/zinc/17/00/14/526170014.db2.gz WGVBVRLHTFUBBI-UHFFFAOYSA-N 0 0 274.320 1.717 20 10 CDCDRN Cc1cc(C(=O)NCC(C)(C)O)c(C)n1-c1ccccn1 ZINC000075238448 526265231 /nfs/dbraw/zinc/26/52/31/526265231.db2.gz SKSYFLRJNROKKT-UHFFFAOYSA-N 0 0 287.363 1.990 20 10 CDCDRN O=C(NCc1c(O)ccc2c1CCCC2)C(=O)NC1CC1 ZINC000075504073 526635230 /nfs/dbraw/zinc/63/52/30/526635230.db2.gz ZECHVGDSQVPZHP-UHFFFAOYSA-N 0 0 288.347 1.166 20 10 CDCDRN CCN(C)c1ccc(Cn2ccnc2S(C)(=O)=O)cc1 ZINC000747810574 574508805 /nfs/dbraw/zinc/50/88/05/574508805.db2.gz REAQPBVUKGJULZ-UHFFFAOYSA-N 0 0 293.392 1.791 20 10 CDCDRN Cc1ccc(/C=C2\SC(=S)N(CC(N)=O)C2=O)o1 ZINC000727176666 574553587 /nfs/dbraw/zinc/55/35/87/574553587.db2.gz NVIFJPDAMGKDDQ-YWEYNIOJSA-N 0 0 282.346 1.275 20 10 CDCDRN CN(CCS(C)(=O)=O)Cc1c(O)ccc2ccncc21 ZINC000728046841 574611041 /nfs/dbraw/zinc/61/10/41/574611041.db2.gz NYHHCCHVLAWNHB-UHFFFAOYSA-N 0 0 294.376 1.417 20 10 CDCDRN O=C([O-])[C@H](CC1CCOCC1)[NH2+]Cc1ccccc1O ZINC001601642348 1174925670 /nfs/dbraw/zinc/92/56/70/1174925670.db2.gz GODUCZKLGSPYBZ-ZDUSSCGKSA-N 0 0 279.336 1.752 20 10 CDCDRN C/C=C\C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000737810028 575008642 /nfs/dbraw/zinc/00/86/42/575008642.db2.gz YJYJBBAEJYGQMY-IHWYPQMZSA-N 0 0 260.337 1.716 20 10 CDCDRN Cc1ccc(C(=O)OCC(=O)NCC2CCC2)c(O)c1O ZINC000731245427 575042268 /nfs/dbraw/zinc/04/22/68/575042268.db2.gz IQCMVKXRWPCKIT-UHFFFAOYSA-N 0 0 293.319 1.479 20 10 CDCDRN CC(C)(C)[C@H](O)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000732718768 575094498 /nfs/dbraw/zinc/09/44/98/575094498.db2.gz DZRHILPIFBGOCE-GFCCVEGCSA-N 0 0 282.292 1.231 20 10 CDCDRN CC1(CCNC(=O)/C=C/c2ccc(O)c(O)c2)OCCO1 ZINC000760107359 576458727 /nfs/dbraw/zinc/45/87/27/576458727.db2.gz UHDXZXZXBUSQBD-HWKANZROSA-N 0 0 293.319 1.380 20 10 CDCDRN O=C(NCCc1ccc(O)c(O)c1)c1csc(=O)[nH]1 ZINC000771631598 575599164 /nfs/dbraw/zinc/59/91/64/575599164.db2.gz GWGPLDMOJHJYND-UHFFFAOYSA-N 0 0 280.305 1.232 20 10 CDCDRN C[C@H](NCc1nnnn1C1CC1)c1ccc(N(C)C)cc1 ZINC000773029898 575775592 /nfs/dbraw/zinc/77/55/92/575775592.db2.gz IDAIBLXOYSVWSB-NSHDSACASA-N 0 0 286.383 1.925 20 10 CDCDRN C[C@H](NC(=O)N[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000773414050 575808521 /nfs/dbraw/zinc/80/85/21/575808521.db2.gz LGTNSYVMJUWRST-WCQYABFASA-N 0 0 277.368 1.902 20 10 CDCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCO[C@H]1C ZINC000773741213 575837147 /nfs/dbraw/zinc/83/71/47/575837147.db2.gz TVXAINGUGCIZDC-SCVCMEIPSA-N 0 0 279.336 1.570 20 10 CDCDRN COc1ncc(/C=C/C(=O)N2CCc3ncccc32)cn1 ZINC000773857444 575841870 /nfs/dbraw/zinc/84/18/70/575841870.db2.gz KILLHKOVNXMEJB-SNAWJCMRSA-N 0 0 282.303 1.483 20 10 CDCDRN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000766249290 576088898 /nfs/dbraw/zinc/08/88/98/576088898.db2.gz IJFIRSCJCONUPE-RKDXNWHRSA-N 0 0 268.338 1.098 20 10 CDCDRN COc1ccc(N(C)C(=O)/C=C/c2cnn(C)c2)nc1 ZINC000766845529 576139186 /nfs/dbraw/zinc/13/91/86/576139186.db2.gz CZGOUECYXDTZBI-QPJJXVBHSA-N 0 0 272.308 1.500 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000769282604 576342415 /nfs/dbraw/zinc/34/24/15/576342415.db2.gz OEFWWNPVAFOAMA-GFCCVEGCSA-N 0 0 291.351 1.141 20 10 CDCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCCN1CCCC1=O ZINC000759594039 576409433 /nfs/dbraw/zinc/40/94/33/576409433.db2.gz DTYGVOHYIQEMDQ-XQRVVYSFSA-N 0 0 291.303 1.277 20 10 CDCDRN Cn1cnc2c1ncnc2NCCc1ccc(O)c(O)c1 ZINC000754489686 576898361 /nfs/dbraw/zinc/89/83/61/576898361.db2.gz WALNMJMJTYAIQI-UHFFFAOYSA-N 0 0 285.307 1.429 20 10 CDCDRN O=C(NCc1ccccc1O)c1ccc(-n2cncn2)nc1 ZINC000748347142 576906736 /nfs/dbraw/zinc/90/67/36/576906736.db2.gz XCEOILWLIBXXQB-UHFFFAOYSA-N 0 0 295.302 1.298 20 10 CDCDRN O=C(NCc1ccccc1O)[C@@H]1CCn2ccnc2C1 ZINC000749223798 576939267 /nfs/dbraw/zinc/93/92/67/576939267.db2.gz PMUKQNDXKLOEGW-LLVKDONJSA-N 0 0 271.320 1.468 20 10 CDCDRN COC[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756343246 576986330 /nfs/dbraw/zinc/98/63/30/576986330.db2.gz WGGCISKTFZGCNE-RKDXNWHRSA-N 0 0 254.286 1.986 20 10 CDCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2nccn2C)c1 ZINC000756539699 576994339 /nfs/dbraw/zinc/99/43/39/576994339.db2.gz RNUFJDWMCOXVIE-JTQLQIEISA-N 0 0 289.335 1.763 20 10 CDCDRN O=C(CCc1ccncn1)NCCc1ccc(O)c(O)c1 ZINC000756861168 577010884 /nfs/dbraw/zinc/01/08/84/577010884.db2.gz JHWRANGQJOEPBG-UHFFFAOYSA-N 0 0 287.319 1.179 20 10 CDCDRN O=C(OCCn1ccccc1=O)c1cccc(O)c1O ZINC000758561302 577117769 /nfs/dbraw/zinc/11/77/69/577117769.db2.gz OBERGSVNQMAYPF-UHFFFAOYSA-N 0 0 275.260 1.117 20 10 CDCDRN COC(=O)[C@@H](NC(=O)C1=CC(=O)CS1)C1CC1 ZINC000752808242 577129183 /nfs/dbraw/zinc/12/91/83/577129183.db2.gz ROASFKKZMYMLGC-VIFPVBQESA-N 0 0 255.295 1.135 20 10 CDCDRN CN(C)c1ccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000821589535 599396427 /nfs/dbraw/zinc/39/64/27/599396427.db2.gz RYKJQXYETUTCBD-UHFFFAOYSA-N 0 0 298.350 1.816 20 10 CDCDRN CCC[N@H+](CC(=O)[O-])Cc1c(O)cccc1OC ZINC000829472957 604475467 /nfs/dbraw/zinc/47/54/67/604475467.db2.gz HZQCGUZOMBFOBG-UHFFFAOYSA-N 0 0 253.298 1.697 20 10 CDCDRN CCCCNC(=O)CN(C)c1ccc2c(c1)OCO2 ZINC000121257847 617189992 /nfs/dbraw/zinc/18/99/92/617189992.db2.gz ZHYQITQXGYFNLU-UHFFFAOYSA-N 0 0 264.325 1.768 20 10 CDCDRN COc1cccc(CNc2cnccc2-c2nn[nH]n2)c1O ZINC000826216120 608377760 /nfs/dbraw/zinc/37/77/60/608377760.db2.gz LLFWEBBRQKPHPJ-UHFFFAOYSA-N 0 0 298.306 1.588 20 10 CDCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1CSC(=O)N1 ZINC000890758242 617320576 /nfs/dbraw/zinc/32/05/76/617320576.db2.gz STKCBCRXNQJDKB-QMMMGPOBSA-N 0 0 286.740 1.487 20 10 CDCDRN CN1CC[C@H](C(=O)NCc2cccc(Cl)c2O)C1=O ZINC000890759085 617320711 /nfs/dbraw/zinc/32/07/11/617320711.db2.gz BTTBLPNCSMKTNT-SECBINFHSA-N 0 0 282.727 1.140 20 10 CDCDRN COc1ccc(N(C)CC2(CS(C)(=O)=O)CC2)cc1 ZINC000844353536 617342531 /nfs/dbraw/zinc/34/25/31/617342531.db2.gz XUXYOWCGPJEDCY-UHFFFAOYSA-N 0 0 283.393 1.956 20 10 CDCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@H]1CO ZINC000892004982 617402449 /nfs/dbraw/zinc/40/24/49/617402449.db2.gz OHKBGRFVHVZQBI-HNNXBMFYSA-N 0 0 289.379 1.563 20 10 CDCDRN COc1ccc(CNc2cnn(CCO)c2)c(O)c1OC ZINC000893244960 617486131 /nfs/dbraw/zinc/48/61/31/617486131.db2.gz FBKWHYLSVJNQRU-UHFFFAOYSA-N 0 0 293.323 1.210 20 10 CDCDRN CCC[C@@](C)(O)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784280042 617862151 /nfs/dbraw/zinc/86/21/51/617862151.db2.gz AUMUFMOJAHWDMW-CQSZACIVSA-N 0 0 282.292 1.375 20 10 CDCDRN COc1cc(C)cc(CN2CCNC(=O)[C@@H]2C)c1O ZINC000893984948 618237526 /nfs/dbraw/zinc/23/75/26/618237526.db2.gz VPPUTIFDGVZHDB-JTQLQIEISA-N 0 0 264.325 1.030 20 10 CDCDRN COc1ccc(C[NH2+][C@@H](C(=O)[O-])[C@H]2CCCOC2)cc1C ZINC000901834790 618284435 /nfs/dbraw/zinc/28/44/35/618284435.db2.gz YLHJIYMLETYCPF-DZGCQCFKSA-N 0 0 293.363 1.973 20 10 CDCDRN 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COc1ccc(O)c([C@H](C)NC(=O)[C@H]2NC(=O)O[C@H]2C)c1 ZINC000841404592 740622668 /nfs/dbraw/zinc/62/26/68/740622668.db2.gz GTTXDLWNXQHQIO-UBJUHAIHSA-N 0 0 294.307 1.075 20 10 CDCDRN CN(C)c1ccc(CNC(=O)C[C@H]2CCC(=O)N2)cc1 ZINC000854270282 740640358 /nfs/dbraw/zinc/64/03/58/740640358.db2.gz IQOMLNLPMAJLKV-GFCCVEGCSA-N 0 0 275.352 1.038 20 10 CDCDRN CN(C)C(=O)CC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858117135 740717581 /nfs/dbraw/zinc/71/75/81/740717581.db2.gz ATEVDZNVHNIKET-UHFFFAOYSA-N 0 0 285.338 1.599 20 10 CDCDRN CC[S@@](=O)c1ccccc1C(=O)N1CCS(=O)CC1 ZINC000108275698 740725487 /nfs/dbraw/zinc/72/54/87/740725487.db2.gz PIGDSGFOWSMKGY-IBGZPJMESA-N 0 0 299.417 1.019 20 10 CDCDRN C[C@@H]([NH2+][C@@H]1CCOC[C@H]1O)c1ccc(F)cc1[O-] ZINC000872141129 740805959 /nfs/dbraw/zinc/80/59/59/740805959.db2.gz NCFHYKZFMMUPNS-XTWCZFFVSA-N 0 0 255.289 1.332 20 10 CDCDRN Nc1ccc(NC(=O)C(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)cc1 ZINC000841142122 740841712 /nfs/dbraw/zinc/84/17/12/740841712.db2.gz KKAVKWVJUJGQLQ-CABCVRRESA-N 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CCO/C=C\C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000847696196 754754456 /nfs/dbraw/zinc/75/44/56/754754456.db2.gz MPEGTVLXNVDMLH-JYESYGNLSA-N 0 0 265.309 1.695 20 10 CDCDRN COc1cc(O)c(CN[C@@H](C)c2ncnn2C)cc1OC ZINC000789588662 754779629 /nfs/dbraw/zinc/77/96/29/754779629.db2.gz KASCZOLEQRTMAA-VIFPVBQESA-N 0 0 292.339 1.389 20 10 CDCDRN C[C@@H]1COCCN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876611399 754790929 /nfs/dbraw/zinc/79/09/29/754790929.db2.gz ZPXXOAUBAFAXFF-CQSZACIVSA-N 0 0 290.407 1.868 20 10 CDCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H](n2ccnn2)C1 ZINC000822426475 754832552 /nfs/dbraw/zinc/83/25/52/754832552.db2.gz KLWUWSXEBDONOB-VIFPVBQESA-N 0 0 278.337 1.523 20 10 CDCDRN O=C(CCOCC(F)(F)F)NCc1ccccc1O ZINC000225107298 754863243 /nfs/dbraw/zinc/86/32/43/754863243.db2.gz SPPGAJPRDXDDBX-UHFFFAOYSA-N 0 0 277.242 1.977 20 10 CDCDRN C[C@@H](NC(=O)CCn1ccnn1)c1ccccc1O ZINC000827922972 754865660 /nfs/dbraw/zinc/86/56/60/754865660.db2.gz FZXDRMFQHSVDCJ-SNVBAGLBSA-N 0 0 260.297 1.251 20 10 CDCDRN 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20 10 CDCDRN COc1ccc(O)c([C@H](C)NC(=O)c2nccnc2C)c1 ZINC000830541073 756327026 /nfs/dbraw/zinc/32/70/26/756327026.db2.gz RSJOUZVXSJEPBM-VIFPVBQESA-N 0 0 287.319 1.990 20 10 CDCDRN Nc1ccc(CC(=O)NCc2cc3c([nH]c2=O)CCC3)cc1 ZINC000829539088 756348313 /nfs/dbraw/zinc/34/83/13/756348313.db2.gz XPWVYWAZELDVEV-UHFFFAOYSA-N 0 0 297.358 1.717 20 10 CDCDRN COc1ncc(/C=C/C(=O)NCc2ccccc2O)cn1 ZINC000775880601 756352804 /nfs/dbraw/zinc/35/28/04/756352804.db2.gz QXCVWTNRHGRJMS-VOTSOKGWSA-N 0 0 285.303 1.520 20 10 CDCDRN O=C([O-])C1([NH2+]Cc2ccc3c(c2)CCO3)CCOCC1 ZINC000789901913 756380652 /nfs/dbraw/zinc/38/06/52/756380652.db2.gz HIINHIVMGQQYHI-UHFFFAOYSA-N 0 0 277.320 1.345 20 10 CDCDRN CCn1nc(C)c(CNC(=O)c2ccc(C)c(O)c2O)n1 ZINC000819598425 756404633 /nfs/dbraw/zinc/40/46/33/756404633.db2.gz OFOBTMXKXDRDMT-UHFFFAOYSA-N 0 0 290.323 1.256 20 10 CDCDRN CCC(CC)(CO)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000847695220 756428239 /nfs/dbraw/zinc/42/82/39/756428239.db2.gz BIMHKZKSUHNBQD-LLVKDONJSA-N 0 0 295.379 1.944 20 10 CDCDRN C[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1c([O-])cccc1F ZINC000886526182 756477333 /nfs/dbraw/zinc/47/73/33/756477333.db2.gz HBRYVJHUBYWIEA-NWDGAFQWSA-N 0 0 281.375 1.428 20 10 CDCDRN CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882995644 756518889 /nfs/dbraw/zinc/51/88/89/756518889.db2.gz HOVOUFAFIDYWHK-MRVPVSSYSA-N 0 0 293.335 1.583 20 10 CDCDRN CCCS(=O)(=O)CC(=O)NCc1cc(C)ccc1O ZINC000862759206 756640077 /nfs/dbraw/zinc/64/00/77/756640077.db2.gz YIURKHMEXHYNHX-UHFFFAOYSA-N 0 0 285.365 1.142 20 10 CDCDRN COC1CCN(S(=O)(=O)Nc2ccc(O)cc2)CC1 ZINC000849306414 756650770 /nfs/dbraw/zinc/65/07/70/756650770.db2.gz UOKPNCBDFYDSIG-UHFFFAOYSA-N 0 0 286.353 1.160 20 10 CDCDRN O=C(N[C@@H](CCO)C(F)(F)F)C1=CC(=O)CS1 ZINC000854616813 756726296 /nfs/dbraw/zinc/72/62/96/756726296.db2.gz VJXOFIONCNCJJO-ZETCQYMHSA-N 0 0 269.244 1.497 20 10 CDCDRN C[C@@H]1CN(Cc2c(O)ccc3ccncc32)CC(=O)N1 ZINC000840132398 756765102 /nfs/dbraw/zinc/76/51/02/756765102.db2.gz IDFAMSUUHMFTNP-SNVBAGLBSA-N 0 0 271.320 1.261 20 10 CDCDRN COC(=O)[C@@H]1C[NH2+]CCCN1Cc1cccc(Cl)c1[O-] ZINC000843124002 756805095 /nfs/dbraw/zinc/80/50/95/756805095.db2.gz SYGMJZWVJYPARD-LBPRGKRZSA-N 0 0 298.770 1.383 20 10 CDCDRN CO[C@@H](C)C(=O)NCCCSc1nccs1 ZINC000074136501 756817818 /nfs/dbraw/zinc/81/78/18/756817818.db2.gz MUHIWPRRFKQETJ-QMMMGPOBSA-N 0 0 260.384 1.776 20 10 CDCDRN COc1ccc(O)c(CNC(=O)c2cccnc2OC)c1 ZINC000114541583 756827349 /nfs/dbraw/zinc/82/73/49/756827349.db2.gz BQNBBHKPIKFKEL-UHFFFAOYSA-N 0 0 288.303 1.734 20 10 CDCDRN CCS(=O)(=O)C[C@@H](C)N(C)Cc1c(C)cccc1O ZINC000876737605 756833168 /nfs/dbraw/zinc/83/31/68/756833168.db2.gz SECSQHSAWVBFEJ-GFCCVEGCSA-N 0 0 285.409 1.956 20 10 CDCDRN Cc1cc(N(C)C)ccc1CN1CCN(C)C(=O)C1 ZINC000840917408 756850740 /nfs/dbraw/zinc/85/07/40/756850740.db2.gz JTSAILHPDWRXRW-UHFFFAOYSA-N 0 0 261.369 1.335 20 10 CDCDRN O=C(NCc1ccc(O)c(O)c1)c1ccccc1O ZINC000182549395 756858406 /nfs/dbraw/zinc/85/84/06/756858406.db2.gz GHLCXPOUEYHHAA-UHFFFAOYSA-N 0 0 259.261 1.733 20 10 CDCDRN CN(C)c1ccc(CNC(=O)NC/C=C\CO)cc1 ZINC000853244079 756861180 /nfs/dbraw/zinc/86/11/80/756861180.db2.gz CZEFSCPJLQNKGV-ARJAWSKDSA-N 0 0 263.341 1.100 20 10 CDCDRN Cc1cc(NC(=O)c2cccc(O)c2O)c[nH]c1=O ZINC000790905520 756864967 /nfs/dbraw/zinc/86/49/67/756864967.db2.gz PZCSCNZNDHIBCB-UHFFFAOYSA-N 0 0 260.249 1.759 20 10 CDCDRN C[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)c1nncn1C ZINC000805508832 756882033 /nfs/dbraw/zinc/88/20/33/756882033.db2.gz NWBPVQRBHSVFBF-RNEXMXFGSA-N 0 0 289.291 1.544 20 10 CDCDRN O=C(NC[C@@H](O)c1ccsc1)c1cccc(O)c1O ZINC000187116197 756883928 /nfs/dbraw/zinc/88/39/28/756883928.db2.gz MNAWAIJPYLWEBC-LLVKDONJSA-N 0 0 279.317 1.623 20 10 CDCDRN COC[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])OC ZINC000708452824 756894370 /nfs/dbraw/zinc/89/43/70/756894370.db2.gz CJLSNUHTPVJHAK-JTQLQIEISA-N 0 0 261.268 1.421 20 10 CDCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCn1ccnc1 ZINC000708535589 756916436 /nfs/dbraw/zinc/91/64/36/756916436.db2.gz NCCFNYSDUZXKCO-UHFFFAOYSA-N 0 0 253.252 1.657 20 10 CDCDRN CCO[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000825542779 756924231 /nfs/dbraw/zinc/92/42/31/756924231.db2.gz ZRYKHBVWOZFKTF-SECBINFHSA-N 0 0 283.299 1.878 20 10 CDCDRN CC[C@@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)OC ZINC000819169480 756994528 /nfs/dbraw/zinc/99/45/28/756994528.db2.gz KGLKOQFNVAYQJL-LBPRGKRZSA-N 0 0 292.335 1.581 20 10 CDCDRN C[C@H](C1CC1)N(C)S(=O)(=O)NCCc1ccc(N)cc1 ZINC000842822279 757063767 /nfs/dbraw/zinc/06/37/67/757063767.db2.gz CHEFMORQJISGTP-LLVKDONJSA-N 0 0 297.424 1.376 20 10 CDCDRN COc1ccc(O)c(CNC(=O)NC[C@@H]2CC(C)=NO2)c1 ZINC000875973758 757087593 /nfs/dbraw/zinc/08/75/93/757087593.db2.gz JIEPIZZUYNXRAT-LBPRGKRZSA-N 0 0 293.323 1.365 20 10 CDCDRN Cc1ccc(C(=O)Nc2c(C)ccn(C)c2=O)c(O)c1O ZINC000182580731 757273557 /nfs/dbraw/zinc/27/35/57/757273557.db2.gz PRMXJRDTZBIZGE-UHFFFAOYSA-N 0 0 288.303 1.666 20 10 CDCDRN COC(=O)NCCC(=O)N(C)Cc1ccccc1O ZINC000107763521 757390530 /nfs/dbraw/zinc/39/05/30/757390530.db2.gz XEJSNIIJYWVRCZ-UHFFFAOYSA-N 0 0 266.297 1.097 20 10 CDCDRN CC(=O)C(=O)Cn1cnc2cc(Cl)ccc2c1=O ZINC000808017653 757450001 /nfs/dbraw/zinc/45/00/01/757450001.db2.gz AGWKBCRICATUPD-UHFFFAOYSA-N 0 0 264.668 1.208 20 10 CDCDRN O=S1(=O)CCC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000226611308 757487122 /nfs/dbraw/zinc/48/71/22/757487122.db2.gz IEBVIJZKJWENDT-LLVKDONJSA-N 0 0 273.329 1.198 20 10 CDCDRN Nc1ccc(NC(=O)C(=O)N2CC[C@@H](c3ccco3)C2)cc1 ZINC000841034835 757495388 /nfs/dbraw/zinc/49/53/88/757495388.db2.gz FXFCMHUWKUTRRR-LLVKDONJSA-N 0 0 299.330 1.816 20 10 CDCDRN CCN1C[C@@H](C(=O)N(C)c2ccc(N)cc2)CC1=O ZINC000702070296 757540199 /nfs/dbraw/zinc/54/01/99/757540199.db2.gz ABLPKEFIYGNOOU-JTQLQIEISA-N 0 0 261.325 1.100 20 10 CDCDRN CCN1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1=O ZINC000824887019 757543131 /nfs/dbraw/zinc/54/31/31/757543131.db2.gz ONWDQUHAXBOVOO-SNVBAGLBSA-N 0 0 279.296 1.011 20 10 CDCDRN C[C@@H](NC(=O)[C@@H]1C[C@@H]1C(N)=O)c1ccc(N(C)C)cc1 ZINC000907491825 757550436 /nfs/dbraw/zinc/55/04/36/757550436.db2.gz HMAKQCZSLPWMFK-JIMOISOXSA-N 0 0 275.352 1.051 20 10 CDCDRN Nc1ccc(NC(=O)C(=O)N[C@H]2CCCc3occc32)cc1 ZINC000841017781 757559166 /nfs/dbraw/zinc/55/91/66/757559166.db2.gz ZISHPOJXRHMRNU-ZDUSSCGKSA-N 0 0 299.330 1.994 20 10 CDCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CO[C@H](C)C2)c1 ZINC000827612844 757626403 /nfs/dbraw/zinc/62/64/03/757626403.db2.gz OYBAWDGVLGQPDY-VWYCJHECSA-N 0 0 294.351 1.938 20 10 CDCDRN C[C@H](NC(=O)CC1OCCO1)c1ccc(N(C)C)cc1 ZINC000793855004 757731761 /nfs/dbraw/zinc/73/17/61/757731761.db2.gz FZMYYHADMNQBHB-NSHDSACASA-N 0 0 278.352 1.693 20 10 CDCDRN CCOC[C@@H](O)CN1CCCc2cc(OC)cc(OC)c21 ZINC000839656144 757799662 /nfs/dbraw/zinc/79/96/62/757799662.db2.gz IFSXPNCYDZXUMF-ZDUSSCGKSA-N 0 0 295.379 1.854 20 10 CDCDRN COc1ccc(CNC(=O)c2ccc(F)nc2)c(O)c1 ZINC000794374541 757801200 /nfs/dbraw/zinc/80/12/00/757801200.db2.gz VXWZFSUUWNVPIJ-UHFFFAOYSA-N 0 0 276.267 1.865 20 10 CDCDRN COc1ccc(O)c(CNC(=O)c2ccc3cccnn32)c1 ZINC000777802641 757818699 /nfs/dbraw/zinc/81/86/99/757818699.db2.gz TVNKSLVUTKRODY-UHFFFAOYSA-N 0 0 297.314 1.979 20 10 CDCDRN CN(C)c1ccc(CNC(=O)C(=O)NC2CCC2)cc1F ZINC000788464214 757861003 /nfs/dbraw/zinc/86/10/03/757861003.db2.gz WKZLDKSLXVLIIC-UHFFFAOYSA-N 0 0 293.342 1.177 20 10 CDCDRN CN(C)c1ccc(CNC(=O)Nc2cnnn2C)cc1 ZINC000809899381 757873974 /nfs/dbraw/zinc/87/39/74/757873974.db2.gz KMTVWHVNSZDQLI-UHFFFAOYSA-N 0 0 274.328 1.203 20 10 CDCDRN C[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834910752 758049941 /nfs/dbraw/zinc/04/99/41/758049941.db2.gz ZCIUAZKIMQGCGI-XPTSAGLGSA-N 0 0 293.323 1.620 20 10 CDCDRN CCn1ncc(C(=O)NCc2ccccc2O)c1C ZINC000866756243 758077475 /nfs/dbraw/zinc/07/74/75/758077475.db2.gz UOJNJAIHGPKBFJ-UHFFFAOYSA-N 0 0 259.309 1.847 20 10 CDCDRN CNC(=O)C1CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000703490719 758217495 /nfs/dbraw/zinc/21/74/95/758217495.db2.gz NSNNNWDSPYISAJ-UHFFFAOYSA-N 0 0 284.306 1.628 20 10 CDCDRN CCOc1ccc(CN2CC(S(=O)(=O)CC)C2)c(O)c1 ZINC000841885551 758254073 /nfs/dbraw/zinc/25/40/73/758254073.db2.gz CVAXVOMQYAGENM-UHFFFAOYSA-N 0 0 299.392 1.410 20 10 CDCDRN CCOC(=O)[C@@H](C)[C@H](C)NC(=O)Nc1ccc(N)cc1 ZINC000841297195 758278211 /nfs/dbraw/zinc/27/82/11/758278211.db2.gz NHIOEYCXVCDVDI-UWVGGRQHSA-N 0 0 279.340 1.978 20 10 CDCDRN CC(=O)c1cc(Cl)cc(CN2CC[C@@H]2CO)c1O ZINC000934027825 758369965 /nfs/dbraw/zinc/36/99/65/758369965.db2.gz RZSPQNCKHXBNSO-LLVKDONJSA-N 0 0 269.728 1.815 20 10 CDCDRN C[C@H](C[S@](C)=O)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708494378 758370029 /nfs/dbraw/zinc/37/00/29/758370029.db2.gz HRYCXVOHZHBIAY-GJEGPGMTSA-N 0 0 263.309 1.527 20 10 CDCDRN CCOc1cccc(CN2C[C@H](C)O[C@H](CO)C2)c1O ZINC000191525945 758371526 /nfs/dbraw/zinc/37/15/26/758371526.db2.gz OPWKFOGHZPMMTG-AAEUAGOBSA-N 0 0 281.352 1.373 20 10 CDCDRN Cc1ccc(C(=O)NC[C@@H](O)c2cccnc2)c(O)c1O ZINC000780985405 758375486 /nfs/dbraw/zinc/37/54/86/758375486.db2.gz DHWFWCUYHLOLTJ-GFCCVEGCSA-N 0 0 288.303 1.265 20 10 CDCDRN Cc1cncc(CNC(=O)c2cccc(O)c2O)c1 ZINC000193149345 758394507 /nfs/dbraw/zinc/39/45/07/758394507.db2.gz KRQQOCWKYCLBLK-UHFFFAOYSA-N 0 0 258.277 1.731 20 10 CDCDRN O=C1CN(Cc2ccccc2O)C(=O)N1[C@H]1C=CCC1 ZINC000849360252 758506373 /nfs/dbraw/zinc/50/63/73/758506373.db2.gz ZWRNSBFPZXQHKC-LBPRGKRZSA-N 0 0 272.304 1.875 20 10 CDCDRN CN(C)c1cc(F)c(CN2CC[C@](C)(O)C2)cc1F ZINC000862250195 758584485 /nfs/dbraw/zinc/58/44/85/758584485.db2.gz GLWKBAHWHISZDL-AWEZNQCLSA-N 0 0 270.323 1.988 20 10 CDCDRN CCOC(=O)C1(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000818545331 758585800 /nfs/dbraw/zinc/58/58/00/758585800.db2.gz YOLYXCWWPNZZFE-UHFFFAOYSA-N 0 0 276.336 1.271 20 10 CDCDRN CC(=O)N[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000817413983 758618561 /nfs/dbraw/zinc/61/85/61/758618561.db2.gz BENOFWJMFPFBIW-LLVKDONJSA-N 0 0 286.734 1.895 20 10 CDCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCC(=O)NC1 ZINC000935947464 758629151 /nfs/dbraw/zinc/62/91/51/758629151.db2.gz YPIIKRILQRMJCE-SNVBAGLBSA-N 0 0 297.351 1.020 20 10 CDCDRN CC(=O)OC1CCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000780995181 758640961 /nfs/dbraw/zinc/64/09/61/758640961.db2.gz JRGWBMFUKWRXET-UHFFFAOYSA-N 0 0 293.319 1.574 20 10 CDCDRN C[C@@]1(CS(=O)(=O)NCc2ccccc2O)CC1(F)F ZINC000881913448 758727298 /nfs/dbraw/zinc/72/72/98/758727298.db2.gz PGEVMLLPQIQAHB-NSHDSACASA-N 0 0 291.319 1.857 20 10 CDCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CO[C@@H](C)C1 ZINC000784462403 758738170 /nfs/dbraw/zinc/73/81/70/758738170.db2.gz GOQYFPOSYBUVAT-JFGNBEQYSA-N 0 0 279.336 1.570 20 10 CDCDRN CN(CC(=O)NC[C@H]1CCCO1)c1ccc(N)cc1 ZINC000702105470 758768303 /nfs/dbraw/zinc/76/83/03/758768303.db2.gz ZRUWPACZECIZPN-CYBMUJFWSA-N 0 0 263.341 1.000 20 10 CDCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC1(O)CCCC1 ZINC000183431056 758818935 /nfs/dbraw/zinc/81/89/35/758818935.db2.gz GNJKBUIVUMADSH-NSHDSACASA-N 0 0 293.363 1.840 20 10 CDCDRN CCOc1ccc([C@H]2NC(=O)CN2CC)c(O)c1 ZINC000788688499 758823611 /nfs/dbraw/zinc/82/36/11/758823611.db2.gz ASAQYJHBWYNNES-ZDUSSCGKSA-N 0 0 250.298 1.241 20 10 CDCDRN CCO[N-]C(=O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922220895 758826510 /nfs/dbraw/zinc/82/65/10/758826510.db2.gz CVOCWQOLEZMULV-UHFFFAOYSA-N 0 0 264.325 1.169 20 10 CDCDRN CC(=O)c1cc(F)cc(CN2C[C@H]3C[C@@]3(CO)C2)c1O ZINC000782626281 758826814 /nfs/dbraw/zinc/82/68/14/758826814.db2.gz ZVKYZWCPMMFPGP-ABAIWWIYSA-N 0 0 279.311 1.548 20 10 CDCDRN CCOc1ccc(O)c(CNc2cnn(CCO)c2)c1 ZINC000236853527 758833547 /nfs/dbraw/zinc/83/35/47/758833547.db2.gz XNSQKAOTLAQDNH-UHFFFAOYSA-N 0 0 277.324 1.592 20 10 CDCDRN C[C@H]([NH2+]CC1(CO)COC1)c1c([O-])cccc1F ZINC000886553567 758840137 /nfs/dbraw/zinc/84/01/37/758840137.db2.gz PZRMFHQCQAIWGR-VIFPVBQESA-N 0 0 255.289 1.191 20 10 CDCDRN COc1ccc(O)c(CNC(=O)NC[C@@H]2CCCO2)c1 ZINC000114581196 758845789 /nfs/dbraw/zinc/84/57/89/758845789.db2.gz IMSSJAPYNGNXSV-LBPRGKRZSA-N 0 0 280.324 1.379 20 10 CDCDRN C[NH+](C)C[C@H]1COCCN1Cc1ccc(F)c(F)c1[O-] ZINC001233078416 912713067 /nfs/dbraw/zinc/71/30/67/912713067.db2.gz VNFWXPXLHPATJS-NSHDSACASA-N 0 0 286.322 1.433 20 10 CDCDRN Nc1ccc(F)cc1S(=O)(=O)Nc1ccc(O)cc1 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C[C@H]([NH2+]CCC(=O)N(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273607312 391326908 /nfs/dbraw/zinc/32/69/08/391326908.db2.gz UOIGZFUCHJOKHI-VIFPVBQESA-N 0 0 281.312 1.429 20 10 CDCDRN COc1ccc(O)c([C@@H](C)[NH2+]CCCC(=O)[O-])c1 ZINC000037418224 173195674 /nfs/dbraw/zinc/19/56/74/173195674.db2.gz SKVFYPAGTMYDDH-SECBINFHSA-N 0 0 253.298 1.916 20 10 CDCDRN Nc1ccc(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000038084956 174096199 /nfs/dbraw/zinc/09/61/99/174096199.db2.gz KLYLTQIDLDWSGQ-AWEZNQCLSA-N 0 0 280.393 1.420 20 10 CDCDRN CCN(CC)c1ccc(CN2CCS(=O)(=O)CC2)cc1 ZINC000093048197 260507500 /nfs/dbraw/zinc/50/75/00/260507500.db2.gz HRKVMPVNJYKZIR-UHFFFAOYSA-N 0 0 296.436 1.763 20 10 CDCDRN C[C@H]([NH2+]CC1(CO)CCOCC1)c1ccc(F)cc1[O-] ZINC000186149594 262081806 /nfs/dbraw/zinc/08/18/06/262081806.db2.gz MLSFDMFMUUHGGB-NSHDSACASA-N 0 0 283.343 1.971 20 10 CDCDRN COC(=O)[C@@H](C)NCc1cc(OC)c(OC)cc1O ZINC000272442985 263004515 /nfs/dbraw/zinc/00/45/15/263004515.db2.gz UCRSRODYSKSZKD-MRVPVSSYSA-N 0 0 269.297 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C[C@H](CO)CCCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000270236713 364512701 /nfs/dbraw/zinc/51/27/01/364512701.db2.gz KJOLIOXKDQPYOO-ZDUSSCGKSA-N 0 0 293.411 1.960 20 10 CDCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000272228934 365141786 /nfs/dbraw/zinc/14/17/86/365141786.db2.gz DISCUHMXHDQZHX-LBPRGKRZSA-N 0 0 276.315 1.960 20 10 CDCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCOC1 ZINC000272365180 365206815 /nfs/dbraw/zinc/20/68/15/365206815.db2.gz CPNCBSVVBKWEDU-FWEMWIAWSA-N 0 0 263.293 1.264 20 10 CDCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCOC1 ZINC000273224478 365479469 /nfs/dbraw/zinc/47/94/69/365479469.db2.gz VYICZHJYFBLPHO-GXSJLCMTSA-N 0 0 265.309 1.182 20 10 CDCDRN C[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccc(F)cc1[O-] ZINC000273345757 365487172 /nfs/dbraw/zinc/48/71/72/365487172.db2.gz APUUPIOWNXCXLG-BONVTDFDSA-N 0 0 283.343 1.969 20 10 CDCDRN CCC(CC)(CCO)NC(=O)c1cccc(O)c1O ZINC000282629583 367966903 /nfs/dbraw/zinc/96/69/03/367966903.db2.gz ATOAUQIMHXNQBJ-UHFFFAOYSA-N 0 0 267.325 1.769 20 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CCN(C)C(=O)C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187925346 284281101 /nfs/dbraw/zinc/28/11/01/284281101.db2.gz BLWZNPSKFVBHLQ-MRVPVSSYSA-N 0 0 272.295 1.799 20 10 CDCDRN COc1cc(Cl)cc(CN2CCCN(C)C(=O)C2)c1O ZINC000191667910 373510116 /nfs/dbraw/zinc/51/01/16/373510116.db2.gz CRTQBNWVBHHMMJ-UHFFFAOYSA-N 0 0 298.770 1.718 20 10 CDCDRN C[C@H]1CCC[C@@]1(O)CNC(=O)c1c(F)ccc(O)c1O ZINC000295626145 378690306 /nfs/dbraw/zinc/69/03/06/378690306.db2.gz PMEBSGGSJICKJP-RMLUDKJBSA-N 0 0 283.299 1.518 20 10 CDCDRN CCC[C@](C)(O)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186442318 262093240 /nfs/dbraw/zinc/09/32/40/262093240.db2.gz RMAHPUWLHLBMFW-BONVTDFDSA-N 0 0 281.352 1.696 20 10 CDCDRN O=C(/C=C\c1cncs1)N1CCNC(=O)c2ccccc21 ZINC000493022677 253349707 /nfs/dbraw/zinc/34/97/07/253349707.db2.gz WBXIBLRTCFIECB-WAYWQWQTSA-N 0 0 299.355 1.933 20 10 CDCDRN Cc1cc(NC(=O)CN(C)Cc2ccccc2O)on1 ZINC000109770552 390647934 /nfs/dbraw/zinc/64/79/34/390647934.db2.gz CJWLRBPKNYIRMG-UHFFFAOYSA-N 0 0 275.308 1.759 20 10 CDCDRN COc1cccc(CN2CCN(C(C)=O)CC2)c1O ZINC000131784216 390869860 /nfs/dbraw/zinc/86/98/60/390869860.db2.gz ZRBIYEWAEHANNM-UHFFFAOYSA-N 0 0 264.325 1.065 20 10 CDCDRN CCOc1cccc(CN2CCNC(=O)C2(C)C)c1O ZINC000093084514 390899326 /nfs/dbraw/zinc/89/93/26/390899326.db2.gz FXGKIYBQAMIIRF-UHFFFAOYSA-N 0 0 278.352 1.501 20 10 CDCDRN CN(C)c1ccc(CNc2nccn(C)c2=O)cc1F ZINC000266449693 391176057 /nfs/dbraw/zinc/17/60/57/391176057.db2.gz XFCBQKBXLBGLLV-UHFFFAOYSA-N 0 0 276.315 1.598 20 10 CDCDRN CC[C@H](COC)NC(=O)c1ccc(C)c(O)c1O ZINC000182485315 391235907 /nfs/dbraw/zinc/23/59/07/391235907.db2.gz JGZQAYDLMIAMMU-SECBINFHSA-N 0 0 253.298 1.561 20 10 CDCDRN CC[C@@H](SC)C(=O)NCc1ccc(O)c(O)c1 ZINC000182520065 391236282 /nfs/dbraw/zinc/23/62/82/391236282.db2.gz YQFLCWYYRBFMKA-LLVKDONJSA-N 0 0 255.339 1.856 20 10 CDCDRN CCCC[C@@H](NC(N)=O)C(=O)NCc1ccccc1O ZINC000269112781 391239725 /nfs/dbraw/zinc/23/97/25/391239725.db2.gz COMXXKOXNBTKCK-LLVKDONJSA-N 0 0 279.340 1.236 20 10 CDCDRN O=C([C@H]1CCCO1)N1CCN(Cc2ccccc2O)CC1 ZINC000179553127 391210257 /nfs/dbraw/zinc/21/02/57/391210257.db2.gz RGKXEOUBVWUYHQ-OAHLLOKOSA-N 0 0 290.363 1.215 20 10 CDCDRN NC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000179581780 391213037 /nfs/dbraw/zinc/21/30/37/391213037.db2.gz PSFPTDMOPPFRJL-LLVKDONJSA-N 0 0 268.744 1.885 20 10 CDCDRN CC(=O)NC[C@H]1CN(Cc2c(O)cccc2Cl)CCO1 ZINC000271173748 391291144 /nfs/dbraw/zinc/29/11/44/391291144.db2.gz ISBHTJFARAKVAR-NSHDSACASA-N 0 0 298.770 1.383 20 10 CDCDRN CN(C)c1ccc(CN(C)C(=O)c2cccc(=O)n2C)cc1 ZINC000156391924 261122379 /nfs/dbraw/zinc/12/23/79/261122379.db2.gz PGZSPIGNUVUFCZ-UHFFFAOYSA-N 0 0 299.374 1.724 20 10 CDCDRN CC[C@@H](C)[C@@H](O)CNC(=O)Cc1ccc(N)cc1 ZINC000157841426 261153887 /nfs/dbraw/zinc/15/38/87/261153887.db2.gz AOARXVOLTCNTDE-MFKMUULPSA-N 0 0 250.342 1.335 20 10 CDCDRN Cc1ncc(C(=O)NCCc2ccc(O)c(O)c2)c(C)n1 ZINC000180708888 261871562 /nfs/dbraw/zinc/87/15/62/261871562.db2.gz ZBIHULSIYUUBOQ-UHFFFAOYSA-N 0 0 287.319 1.477 20 10 CDCDRN CC(C)OCCC(=O)NCc1ccc(O)c(O)c1 ZINC000182549418 261942821 /nfs/dbraw/zinc/94/28/21/261942821.db2.gz ZRMXBOCGVDNENZ-UHFFFAOYSA-N 0 0 253.298 1.529 20 10 CDCDRN CC(=O)N1CC[C@](C)(C(=O)Nc2ccc(N)cc2)C1 ZINC000376693036 268009098 /nfs/dbraw/zinc/00/90/98/268009098.db2.gz DPAJNAXRONFDSU-AWEZNQCLSA-N 0 0 261.325 1.466 20 10 CDCDRN COc1cccc(CN2CC[S@](=O)[C@H](C)[C@@H]2C)c1O ZINC000271189266 295298159 /nfs/dbraw/zinc/29/81/59/295298159.db2.gz KWRVMLMRPMGUBG-QQKBFRNYSA-N 0 0 283.393 1.742 20 10 CDCDRN C[C@@H]([NH2+]CC(C)(C)C(N)=O)c1ccc(F)c(F)c1[O-] ZINC000187827747 327860589 /nfs/dbraw/zinc/86/05/89/327860589.db2.gz DRTOLGPURSYVOE-SSDOTTSWSA-N 0 0 272.295 1.833 20 10 CDCDRN CCO[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2O)[C@H]1OC ZINC000280400165 328235359 /nfs/dbraw/zinc/23/53/59/328235359.db2.gz GYFDPQUMNORHQQ-IRUJWGPZSA-N 0 0 281.308 1.020 20 10 CDCDRN Cc1ncc2n1CC[C@H](C(=O)NCc1ccccc1O)C2 ZINC000290601810 328259923 /nfs/dbraw/zinc/25/99/23/328259923.db2.gz PEDFRSWQYRDSGR-LBPRGKRZSA-N 0 0 285.347 1.776 20 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CC(C)NC(=O)CN1CCOc2cc(N(C)C)ccc21 ZINC000130445533 519707221 /nfs/dbraw/zinc/70/72/21/519707221.db2.gz DBUWJKWZSKAYRG-UHFFFAOYSA-N 0 0 277.368 1.476 20 10 CDCDRN CC(C)[C@@H](C(=O)Nc1ccc(N)cc1)N1CCCC1=O ZINC000236659751 519789570 /nfs/dbraw/zinc/78/95/70/519789570.db2.gz VXZJUNXAUVATOD-AWEZNQCLSA-N 0 0 275.352 1.854 20 10 CDCDRN CCCNS(=O)(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000293182516 519977613 /nfs/dbraw/zinc/97/76/13/519977613.db2.gz DEWUHRHFRYVYII-UHFFFAOYSA-N 0 0 289.376 1.226 20 10 CDCDRN CCN(C)S(=O)(=O)NCc1ccc(N2CCCC2)cc1 ZINC000072677327 520265834 /nfs/dbraw/zinc/26/58/34/520265834.db2.gz WWRKFCPBUHMEFB-UHFFFAOYSA-N 0 0 297.424 1.573 20 10 CDCDRN CCOC(=O)CCCNC(=O)CSc1nccs1 ZINC000071991610 520646322 /nfs/dbraw/zinc/64/63/22/520646322.db2.gz AIVLZSMDXAESLW-UHFFFAOYSA-N 0 0 288.394 1.695 20 10 CDCDRN CCC(O)(CC)CNC(=O)c1c(F)ccc(O)c1O ZINC000276600587 521655102 /nfs/dbraw/zinc/65/51/02/521655102.db2.gz ODHVUKFSZFNZHJ-UHFFFAOYSA-N 0 0 271.288 1.518 20 10 CDCDRN CCCN(CCS(C)(=O)=O)Cc1ccccc1O ZINC000103479506 521669419 /nfs/dbraw/zinc/66/94/19/521669419.db2.gz ADYNHGRHBBQOFY-UHFFFAOYSA-N 0 0 271.382 1.649 20 10 CDCDRN COc1c([O-])c(C[NH+]2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000278192420 521872826 /nfs/dbraw/zinc/87/28/26/521872826.db2.gz IEWFUKMMJVNLFA-UHFFFAOYSA-N 0 0 282.296 1.266 20 10 CDCDRN COc1c([O-])c(C[NH2+]C[C@@H](O)C(C)C)ccc1[N+](=O)[O-] ZINC000278891879 521879536 /nfs/dbraw/zinc/87/95/36/521879536.db2.gz PRDUFBKDWPHZPT-LLVKDONJSA-N 0 0 284.312 1.416 20 10 CDCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C=Cc1c[nH]cn1 ZINC000276674456 522251912 /nfs/dbraw/zinc/25/19/12/522251912.db2.gz ZRIGJECTOHMRIQ-ZZXKWVIFSA-N 0 0 298.346 1.915 20 10 CDCDRN COCCCONC(=O)NCc1ccc(N(C)C)cc1 ZINC000285315291 523407258 /nfs/dbraw/zinc/40/72/58/523407258.db2.gz ZIBQTGUQSQJASK-UHFFFAOYSA-N 0 0 281.356 1.520 20 10 CDCDRN CC[C@H](C(=O)Nc1ccc(N)cc1)N1CCCC1=O ZINC000236872365 523799022 /nfs/dbraw/zinc/79/90/22/523799022.db2.gz UWHQBNNOMWHSQQ-GFCCVEGCSA-N 0 0 261.325 1.608 20 10 CDCDRN CN1CCN(Cc2c(O)cccc2Cl)CC1=O ZINC000127370837 523906565 /nfs/dbraw/zinc/90/65/65/523906565.db2.gz DAMPLWMJSRBRJM-UHFFFAOYSA-N 0 0 254.717 1.320 20 10 CDCDRN COCCOC[C@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000237087508 524025845 /nfs/dbraw/zinc/02/58/45/524025845.db2.gz IEDXWBUSNFSRIB-AWEZNQCLSA-N 0 0 292.379 1.323 20 10 CDCDRN C[C@@H](C(=O)N(C)Cc1ccccc1O)n1cccn1 ZINC000299238307 524086997 /nfs/dbraw/zinc/08/69/97/524086997.db2.gz AWZCPVMYJJELHL-NSHDSACASA-N 0 0 259.309 1.808 20 10 CDCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)n(C)n1 ZINC000058731644 524106397 /nfs/dbraw/zinc/10/63/97/524106397.db2.gz GOHRPJPYZMLISI-UHFFFAOYSA-N 0 0 290.342 1.864 20 10 CDCDRN C[C@H]1CCN(Cc2cc(F)ccc2O)CC[S@]1=O ZINC000277418873 524292361 /nfs/dbraw/zinc/29/23/61/524292361.db2.gz ICHDTXOKDKNNGC-YPMLDQLKSA-N 0 0 271.357 1.874 20 10 CDCDRN Cc1cc(O)c(CN2CCS(=O)(=O)CC2)cc1C ZINC000103265438 525319602 /nfs/dbraw/zinc/31/96/02/525319602.db2.gz RFEVHGAGJWMJDP-UHFFFAOYSA-N 0 0 269.366 1.239 20 10 CDCDRN 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CDCDRN COC(=O)c1ccnc(NCc2ccc(N(C)C)cc2)n1 ZINC001354062788 968446516 /nfs/dbraw/zinc/44/65/16/968446516.db2.gz YKEBHRRRKNWOPT-UHFFFAOYSA-N 0 0 286.335 1.941 20 10 CDCDRN CSC[C@H](C)NC(=O)NCc1ccc(N)cc1 ZINC001357166990 969542841 /nfs/dbraw/zinc/54/28/41/969542841.db2.gz QXUAUOAUTUVRQN-VIFPVBQESA-N 0 0 253.371 1.820 20 10 CDCDRN CCn1c([C@@H](C)O)nnc1N(C)Cc1ccccc1O ZINC001520937832 970245369 /nfs/dbraw/zinc/24/53/69/970245369.db2.gz LEFSHGYIQFBKGX-SNVBAGLBSA-N 0 0 276.340 1.693 20 10 CDCDRN Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](C)C(=O)[O-] ZINC001605187446 972906759 /nfs/dbraw/zinc/90/67/59/972906759.db2.gz YBVBRRXFKGWKMA-LLVKDONJSA-N 0 0 250.342 1.871 20 10 CDCDRN CC[C@@H]([NH2+][C@H](C)c1cc(OC)ccc1O)C(=O)[O-] ZINC001603915932 974412602 /nfs/dbraw/zinc/41/26/02/974412602.db2.gz WBDHNHHARBPLNK-LDYMZIIASA-N 0 0 253.298 1.915 20 10 CDCDRN CC[C@](COC)([NH2+]Cc1ccc(OC)c(C)c1)C(=O)[O-] ZINC001595200238 979948797 /nfs/dbraw/zinc/94/87/97/979948797.db2.gz WALWCKMKJSXVCV-OAHLLOKOSA-N 0 0 281.352 1.973 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ZINC000492523533 332401405 /nfs/dbraw/zinc/40/14/05/332401405.db2.gz XEIOTEBWWMDOKM-PLNGDYQASA-N 0 0 255.277 1.858 20 10 CDCDRN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000528858288 333462103 /nfs/dbraw/zinc/46/21/03/333462103.db2.gz STFSIEUYAVXUFL-KIGUWFBYSA-N 0 0 293.363 1.816 20 10 CDCDRN C[C@@H](NC(=O)Cc1ccc(N)cc1)C(=O)NC(C)(C)C ZINC000134453522 334090991 /nfs/dbraw/zinc/09/09/91/334090991.db2.gz NEMCIOVVRCRQRH-SNVBAGLBSA-N 0 0 277.368 1.231 20 10 CDCDRN CC[C@@H](CCO)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000077800299 1159682261 /nfs/dbraw/zinc/68/22/61/1159682261.db2.gz QNZVWCCRQMHAHK-LBPRGKRZSA-N 0 0 297.374 1.852 20 10 CDCDRN CC(=O)C(O)=CS(=O)(=O)c1ccccc1C(F)(F)F ZINC000289756992 519357389 /nfs/dbraw/zinc/35/73/89/519357389.db2.gz VCUBBFMJJRIVTK-UHFFFAOYSA-N 0 0 294.250 1.637 20 10 CDCDRN CCN(CCCS(N)(=O)=O)c1ccc(OC)cc1 ZINC000264224893 521040225 /nfs/dbraw/zinc/04/02/25/521040225.db2.gz WRFWZLKDKQHRCF-UHFFFAOYSA-N 0 0 272.370 1.200 20 10 CDCDRN CCN(Cc1nnn(C)n1)c1ccc(OC)c(OC)c1 ZINC000281390194 521465570 /nfs/dbraw/zinc/46/55/70/521465570.db2.gz DJCQLHIZTWTHNN-UHFFFAOYSA-N 0 0 277.328 1.254 20 10 CDCDRN CC[C@@H](C)[C@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278950230 522395455 /nfs/dbraw/zinc/39/54/55/522395455.db2.gz ZHCWEXNNVXJRIS-BXKDBHETSA-N 0 0 298.339 1.806 20 10 CDCDRN COCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000071797637 522735642 /nfs/dbraw/zinc/73/56/42/522735642.db2.gz RURKKBQPBBSTHY-ZDUSSCGKSA-N 0 0 279.336 1.546 20 10 CDCDRN COCC(C)(C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000274966687 522797455 /nfs/dbraw/zinc/79/74/55/522797455.db2.gz VDLNESSBTQJAAB-JTQLQIEISA-N 0 0 281.352 1.818 20 10 CDCDRN COC(=O)C1(CNC(=O)NCc2ccccc2O)CC1 ZINC000275006713 522824448 /nfs/dbraw/zinc/82/44/48/522824448.db2.gz RLMWHWDSEGXHRF-UHFFFAOYSA-N 0 0 278.308 1.145 20 10 CDCDRN COCCC(C)(C)CNC(=O)Cc1ccc(N)cc1 ZINC000234659186 522976426 /nfs/dbraw/zinc/97/64/26/522976426.db2.gz RFQXXYUEOXXLBH-UHFFFAOYSA-N 0 0 264.369 1.990 20 10 CDCDRN CN(CCc1ccnn1C)c1ccc2c(c1)OCO2 ZINC000276295124 522982583 /nfs/dbraw/zinc/98/25/83/522982583.db2.gz IRGVGYXYVSHJBW-UHFFFAOYSA-N 0 0 259.309 1.828 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)C(C)(C)N1CCOCC1 ZINC000278763997 523378109 /nfs/dbraw/zinc/37/81/09/523378109.db2.gz GFAFSKXVBWGTDV-UHFFFAOYSA-N 0 0 292.379 1.461 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)CNC(=O)C(C)(C)C ZINC000048606745 523378345 /nfs/dbraw/zinc/37/83/45/523378345.db2.gz VZMXZYNTEFICLD-UHFFFAOYSA-N 0 0 278.352 1.513 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1OC[C@H]2COCC[C@@H]21 ZINC000289787495 523385577 /nfs/dbraw/zinc/38/55/77/523385577.db2.gz JWPSIPQDESOTAC-VNHYZAJKSA-N 0 0 291.347 1.402 20 10 CDCDRN COC(=O)[C@H]1C[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000263896556 523994349 /nfs/dbraw/zinc/99/43/49/523994349.db2.gz PMOYBYFPOFIPKS-MNOVXSKESA-N 0 0 294.326 1.317 20 10 CDCDRN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2ncnn2C)c1 ZINC000276525549 524766954 /nfs/dbraw/zinc/76/69/54/524766954.db2.gz CEDRWAYUWNGIRO-ZJUUUORDSA-N 0 0 276.340 1.941 20 10 CDCDRN C[C@H]1C[C@@H](O)CCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000291545714 524817732 /nfs/dbraw/zinc/81/77/32/524817732.db2.gz AOLMIIZMUMGGLA-WFASDCNBSA-N 0 0 291.395 1.807 20 10 CDCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NC2CCC2)c1 ZINC000264459160 525220645 /nfs/dbraw/zinc/22/06/45/525220645.db2.gz RGOZHKOLLQERDO-UHFFFAOYSA-N 0 0 284.337 1.046 20 10 CDCDRN C[C@H]([NH2+]CCc1cnn(C)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273425756 525373150 /nfs/dbraw/zinc/37/31/50/525373150.db2.gz UADWATAYWZREAZ-JTQLQIEISA-N 0 0 290.323 1.927 20 10 CDCDRN C[C@@H]([NH2+]CCC(=O)N(C)C)c1ccc(F)cc1[O-] ZINC000062747687 525427993 /nfs/dbraw/zinc/42/79/93/525427993.db2.gz LQMZUWGENIVYOT-SECBINFHSA-N 0 0 254.305 1.660 20 10 CDCDRN Cc1c(C(=O)NCc2ccc(N(C)C)cc2)nnn1C ZINC000266043155 525628240 /nfs/dbraw/zinc/62/82/40/525628240.db2.gz ZCFOLFIJAINRLW-UHFFFAOYSA-N 0 0 273.340 1.120 20 10 CDCDRN Cc1ccc(C(=O)N[C@@H](C)c2ncn(C)n2)c(O)c1O ZINC000275611520 526196457 /nfs/dbraw/zinc/19/64/57/526196457.db2.gz QOVGKXFJWBBSJJ-QMMMGPOBSA-N 0 0 276.296 1.026 20 10 CDCDRN Cc1cnn([C@H]2CCN(C(=O)c3cccc(O)c3O)C2)c1 ZINC000290884618 526268694 /nfs/dbraw/zinc/26/86/94/526268694.db2.gz AFXVRUNHWJFJEN-NSHDSACASA-N 0 0 287.319 1.690 20 10 CDCDRN Oc1cc2c(cc1CN1CCO[C@H]3CCC[C@@H]31)OCO2 ZINC000057100385 526336781 /nfs/dbraw/zinc/33/67/81/526336781.db2.gz GAVQQFZQLGRGJB-AAEUAGOBSA-N 0 0 277.320 1.874 20 10 CDCDRN Cc1nonc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000266565034 526702680 /nfs/dbraw/zinc/70/26/80/526702680.db2.gz QIXNCCXRJRFZTA-UHFFFAOYSA-N 0 0 287.319 1.892 20 10 CDCDRN Cn1cnnc1CNCc1c(O)cccc1Cl ZINC000083551863 527523910 /nfs/dbraw/zinc/52/39/10/527523910.db2.gz GJEZCZQKOIGGKO-UHFFFAOYSA-N 0 0 252.705 1.464 20 10 CDCDRN Cc1n[nH]c(CC[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)n1 ZINC001600698089 1174570168 /nfs/dbraw/zinc/57/01/68/1174570168.db2.gz AZCGGWSUNVAVLF-MRVPVSSYSA-N 0 0 290.323 1.410 20 10 CDCDRN Nc1ccc(C[NH2+][C@H](C[C@H]2CCCO2)C(=O)[O-])cc1 ZINC001601216122 1174794230 /nfs/dbraw/zinc/79/42/30/1174794230.db2.gz OSWVESUUPHRMBA-CHWSQXEVSA-N 0 0 264.325 1.381 20 10 CDCDRN CCN(CCN1CCOC1=O)c1ccc(OC)c(OC)c1 ZINC000747681677 574505322 /nfs/dbraw/zinc/50/53/22/574505322.db2.gz MVDJBKKUPUKOEM-UHFFFAOYSA-N 0 0 294.351 1.982 20 10 CDCDRN CCCCNC(=O)[C@H](C)OC(=O)c1ccc(C)c(O)c1O ZINC000727005683 574535373 /nfs/dbraw/zinc/53/53/73/574535373.db2.gz VCYJFIXESDUHSU-JTQLQIEISA-N 0 0 295.335 1.868 20 10 CDCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cnc[nH]2)c1 ZINC000728979490 574680425 /nfs/dbraw/zinc/68/04/25/574680425.db2.gz WNFONZQQLDZSTE-MRVPVSSYSA-N 0 0 261.281 1.615 20 10 CDCDRN COc1ccc(O)c(CNC(=O)Cc2ccco2)c1 ZINC000769497938 575353046 /nfs/dbraw/zinc/35/30/46/575353046.db2.gz FLOGNVGZJFQHPB-UHFFFAOYSA-N 0 0 261.277 1.853 20 10 CDCDRN COc1cccc(CNC(=O)c2c[nH]cc2C)c1O ZINC000729859463 574825324 /nfs/dbraw/zinc/82/53/24/574825324.db2.gz QZKKBWRFGDMXGB-UHFFFAOYSA-N 0 0 260.293 1.967 20 10 CDCDRN O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)C1=CC(=O)CS1 ZINC000771419980 575578202 /nfs/dbraw/zinc/57/82/02/575578202.db2.gz ULAXOFDSVPXUKS-RNCFNFMXSA-N 0 0 283.349 1.522 20 10 CDCDRN CN(C)C(=O)C1(CNC(=O)C2=CC(=O)CS2)CCCC1 ZINC000733366628 575116923 /nfs/dbraw/zinc/11/69/23/575116923.db2.gz BMWOTXMKRHLHED-UHFFFAOYSA-N 0 0 296.392 1.832 20 10 CDCDRN COc1ccc(O)c(CNC(=O)[C@@H](O)c2cccnc2)c1 ZINC000734014831 575153507 /nfs/dbraw/zinc/15/35/07/575153507.db2.gz FADMGBALPLMCTO-AWEZNQCLSA-N 0 0 288.303 1.146 20 10 CDCDRN CCO[C@@H]1COCC[C@@H]1NC(=O)c1ccc(C)c(O)c1O ZINC000760053886 576455423 /nfs/dbraw/zinc/45/54/23/576455423.db2.gz RSJURPMDDVSRBI-NWDGAFQWSA-N 0 0 295.335 1.330 20 10 CDCDRN CN(C)c1ccc2c(c1)OCCN2C[C@H]1CCOC1 ZINC000774752439 575238561 /nfs/dbraw/zinc/23/85/61/575238561.db2.gz PZJWUFYHSZFULD-GFCCVEGCSA-N 0 0 262.353 1.988 20 10 CDCDRN COc1c(O)c(CNCc2cc[nH]n2)ccc1[N+](=O)[O-] ZINC000774952471 575254957 /nfs/dbraw/zinc/25/49/57/575254957.db2.gz URRGXDBNGUFTIP-UHFFFAOYSA-N 0 0 278.268 1.322 20 10 CDCDRN Cc1ccc(C(=O)NCC2(O)CCC2)c(O)c1O ZINC000770503005 575457180 /nfs/dbraw/zinc/45/71/80/575457180.db2.gz PDNFCXYKZFXRLZ-UHFFFAOYSA-N 0 0 251.282 1.051 20 10 CDCDRN NC(=O)CN(C(=O)C1=CC(=O)CS1)C1CCCC1 ZINC000772767882 575751426 /nfs/dbraw/zinc/75/14/26/575751426.db2.gz CAFQXMBXNOWGGT-UHFFFAOYSA-N 0 0 268.338 1.324 20 10 CDCDRN Cc1nnc(COC(=O)/C=C\c2ccc(O)c(O)c2)o1 ZINC000772776300 575752841 /nfs/dbraw/zinc/75/28/41/575752841.db2.gz PTRZCGWQQJQPJD-HYXAFXHYSA-N 0 0 276.248 1.546 20 10 CDCDRN C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)N(C)C ZINC000772775678 575752863 /nfs/dbraw/zinc/75/28/63/575752863.db2.gz NWMVZCSKWJAPSX-VPIOIWJLSA-N 0 0 279.292 1.131 20 10 CDCDRN Cc1c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)nnn1C ZINC000772999071 575773267 /nfs/dbraw/zinc/77/32/67/575773267.db2.gz LAWQKFWAZMDCDP-SNVBAGLBSA-N 0 0 287.367 1.681 20 10 CDCDRN CC(=O)N(C)CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773008861 575773814 /nfs/dbraw/zinc/77/38/14/575773814.db2.gz HSQWQEUDVXIDQK-NSHDSACASA-N 0 0 277.368 1.408 20 10 CDCDRN CCCN(C)S(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773089709 575781842 /nfs/dbraw/zinc/78/18/42/575781842.db2.gz UOZVMEZCBXZRNQ-GFCCVEGCSA-N 0 0 299.440 1.990 20 10 CDCDRN Cc1ccc(C(=O)OCc2ccnn2C)c(O)c1O ZINC000773500762 575816473 /nfs/dbraw/zinc/81/64/73/575816473.db2.gz IHYVININPXJFTP-UHFFFAOYSA-N 0 0 262.265 1.497 20 10 CDCDRN CCN(C)c1ccc(CN2C[C@H](CO)OC[C@@H]2C)cc1 ZINC000773766354 575838376 /nfs/dbraw/zinc/83/83/76/575838376.db2.gz SQVDGCSKMSBPCW-XJKSGUPXSA-N 0 0 278.396 1.724 20 10 CDCDRN Cn1cc(/C=C\C(=O)N2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000737581872 575996690 /nfs/dbraw/zinc/99/66/90/575996690.db2.gz MIKSLABAEHGJEK-WAYWQWQTSA-N 0 0 298.302 1.931 20 10 CDCDRN Cn1nc(C(=O)NCc2ccccc2O)cc1OC(F)F ZINC000768287770 576268683 /nfs/dbraw/zinc/26/86/83/576268683.db2.gz RVMYCWXZQSLMPK-UHFFFAOYSA-N 0 0 297.261 1.657 20 10 CDCDRN CCN(CC(=O)N(C)C)Cc1c(O)cccc1OC ZINC000768306255 576269318 /nfs/dbraw/zinc/26/93/18/576269318.db2.gz BARKTCDOFOQCLK-UHFFFAOYSA-N 0 0 266.341 1.311 20 10 CDCDRN CN(Cc1ccon1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768448984 576284796 /nfs/dbraw/zinc/28/47/96/576284796.db2.gz YXJLYOIQJUFQJZ-CYBMUJFWSA-N 0 0 276.292 1.438 20 10 CDCDRN C[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)CC1CCOCC1 ZINC000768464957 576287329 /nfs/dbraw/zinc/28/73/29/576287329.db2.gz GPRINGYOHKNNOG-HNNXBMFYSA-N 0 0 293.363 1.676 20 10 CDCDRN CCOc1cccc(CN2CCCNC(=O)C2)c1O ZINC000769115053 576331554 /nfs/dbraw/zinc/33/15/54/576331554.db2.gz MVJXLHDAQJCOJB-UHFFFAOYSA-N 0 0 264.325 1.113 20 10 CDCDRN CCN(CC)c1ccc(CN2CCCNC(=O)C2)cc1F ZINC000769115155 576331633 /nfs/dbraw/zinc/33/16/33/576331633.db2.gz OZCFDQHCKZAEML-UHFFFAOYSA-N 0 0 293.386 1.994 20 10 CDCDRN COc1cccc(O)c1CN(CCO)Cc1cccnc1 ZINC000769332239 576346731 /nfs/dbraw/zinc/34/67/31/576346731.db2.gz ZJNCXUPJQFRHOT-UHFFFAOYSA-N 0 0 288.347 1.790 20 10 CDCDRN COc1cccc(O)c1CN(C)[C@@H](C)CS(C)(=O)=O ZINC000769416631 576352742 /nfs/dbraw/zinc/35/27/42/576352742.db2.gz JYMPIAIOLJPDAM-JTQLQIEISA-N 0 0 287.381 1.266 20 10 CDCDRN Cc1ncc(C(=O)N(C)Cc2ccccc2O)c(N)n1 ZINC000769490357 576358363 /nfs/dbraw/zinc/35/83/63/576358363.db2.gz CXFPFWISMDHMRM-UHFFFAOYSA-N 0 0 272.308 1.345 20 10 CDCDRN O=C(NCc1ccccc1O)c1ccc2n[nH]c(=O)n2c1 ZINC000763027423 576701355 /nfs/dbraw/zinc/70/13/55/576701355.db2.gz XAUUUUHSAAPXDH-UHFFFAOYSA-N 0 0 284.275 1.071 20 10 CDCDRN Cc1ccc(C(=O)OCC2(C)COC2)c(O)c1O ZINC000744909180 576704307 /nfs/dbraw/zinc/70/43/07/576704307.db2.gz GBTBVPYQFOMKJD-UHFFFAOYSA-N 0 0 252.266 1.600 20 10 CDCDRN C[C@@H](O)[C@@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000747617036 576877166 /nfs/dbraw/zinc/87/71/66/576877166.db2.gz NYOOQXZDFDWIRM-RKDXNWHRSA-N 0 0 255.339 1.687 20 10 CDCDRN O=C(NCCCSc1nccs1)c1cc(CO)on1 ZINC000748038989 576892964 /nfs/dbraw/zinc/89/29/64/576892964.db2.gz DTQMDYZRHRSMRP-UHFFFAOYSA-N 0 0 299.377 1.536 20 10 CDCDRN CN(C(=O)C1=CC(=O)CS1)[C@@H]1CCCN(C)C1 ZINC000748334728 576905820 /nfs/dbraw/zinc/90/58/20/576905820.db2.gz KSJBGOCUEYHYRV-SECBINFHSA-N 0 0 254.355 1.620 20 10 CDCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](CCO)C2CC2)c1 ZINC000756739424 577002561 /nfs/dbraw/zinc/00/25/61/577002561.db2.gz NIQHRUWJZGHJDX-YGRLFVJLSA-N 0 0 293.363 1.990 20 10 CDCDRN CCCN(CCC)S(=O)(=O)NCc1ccccc1O ZINC000751148954 577027677 /nfs/dbraw/zinc/02/76/77/577027677.db2.gz DTJISCXEADYXLO-UHFFFAOYSA-N 0 0 286.397 1.849 20 10 CDCDRN O=C(OCCN1C[C@H]2CC[C@@H](C1)O2)c1cccc(O)c1O ZINC000758560749 577117568 /nfs/dbraw/zinc/11/75/68/577117568.db2.gz WKBDWDYYHOMJRS-PHIMTYICSA-N 0 0 293.319 1.118 20 10 CDCDRN CCCCOC(=O)COC(=O)c1cccc(O)c1O ZINC000758574056 577119271 /nfs/dbraw/zinc/11/92/71/577119271.db2.gz ZGXZQPFHMAYFKJ-UHFFFAOYSA-N 0 0 268.265 1.598 20 10 CDCDRN CCOc1ccc(C[N@@H+]2CC[C@H](C(=O)[O-])C2)c(O)c1 ZINC000820387430 598129199 /nfs/dbraw/zinc/12/91/99/598129199.db2.gz PPECXEBBDKUIGC-NSHDSACASA-N 0 0 265.309 1.697 20 10 CDCDRN CCOc1ccc(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)c(O)c1 ZINC000820387429 598129242 /nfs/dbraw/zinc/12/92/42/598129242.db2.gz PPECXEBBDKUIGC-LLVKDONJSA-N 0 0 265.309 1.697 20 10 CDCDRN O=C([O-])[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1O ZINC000236440215 598211694 /nfs/dbraw/zinc/21/16/94/598211694.db2.gz UJUSWQDONROWQL-LLVKDONJSA-N 0 0 253.273 1.970 20 10 CDCDRN COc1ccc(O)c(C[N@@H+]2CCSC[C@H]2CC(=O)[O-])c1 ZINC000091133610 605243602 /nfs/dbraw/zinc/24/36/02/605243602.db2.gz KEILNNIFVVGUKK-LLVKDONJSA-N 0 0 297.376 1.793 20 10 CDCDRN C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H]1C(=O)[O-] ZINC000235348494 605479576 /nfs/dbraw/zinc/47/95/76/605479576.db2.gz PDCGDVZBSNJZLW-LDYMZIIASA-N 0 0 253.273 1.684 20 10 CDCDRN CN1CC[C@H](C(=O)NCc2cccc(Cl)c2O)CC1=O ZINC000890758409 617320724 /nfs/dbraw/zinc/32/07/24/617320724.db2.gz WXTAZRNFIANNPI-VIFPVBQESA-N 0 0 296.754 1.530 20 10 CDCDRN O=C(C[C@H]1CCCC(=O)N1)NCc1cccc(Cl)c1O ZINC000890759228 617320874 /nfs/dbraw/zinc/32/08/74/617320874.db2.gz HKKKFJWYFDKKOG-SNVBAGLBSA-N 0 0 296.754 1.721 20 10 CDCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2CSC[C@@H]2C)c1 ZINC000806810158 617359290 /nfs/dbraw/zinc/35/92/90/617359290.db2.gz HUVVLEXBLLFMBD-JOYOIKCWSA-N 0 0 296.392 1.952 20 10 CDCDRN O=S(=O)(NCc1cc(Cl)ccc1O)N1CCCC1 ZINC000845997741 617391648 /nfs/dbraw/zinc/39/16/48/617391648.db2.gz FNJWRXDMFXMTAA-UHFFFAOYSA-N 0 0 290.772 1.476 20 10 CDCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cn(CC)nn1 ZINC000935944448 617596376 /nfs/dbraw/zinc/59/63/76/617596376.db2.gz SOAQXLPJTDNYOT-UHFFFAOYSA-N 0 0 295.339 1.419 20 10 CDCDRN CS(=O)(=O)CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162832209 617869263 /nfs/dbraw/zinc/86/92/63/617869263.db2.gz OLJSSCBASUJIHZ-UHFFFAOYSA-N 0 0 263.746 1.180 20 10 CDCDRN CC(C)(C)N1C[C@@H](NC(=O)Nc2ccc(N)cc2)CC1=O ZINC000217285444 618046083 /nfs/dbraw/zinc/04/60/83/618046083.db2.gz HLFGPZFKHKYYKH-LBPRGKRZSA-N 0 0 290.367 1.790 20 10 CDCDRN CN1CC[C@H](NC(=O)NCc2cccc(Cl)c2O)C1=O ZINC000893117708 618195228 /nfs/dbraw/zinc/19/52/28/618195228.db2.gz ZFWVBPMPIIJOLK-JTQLQIEISA-N 0 0 297.742 1.076 20 10 CDCDRN COc1cc(C)cc(CNCc2nnc3n2CCC3)c1O ZINC000894167848 618647508 /nfs/dbraw/zinc/64/75/08/618647508.db2.gz UCPZOEXYZHFGOM-UHFFFAOYSA-N 0 0 288.351 1.537 20 10 CDCDRN 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789857909 /nfs/dbraw/zinc/85/79/09/789857909.db2.gz NYUMQIDFTIEXCU-JTQLQIEISA-N 0 0 279.340 1.978 20 10 CDCDRN CCCN(CC(F)F)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841025495 789872474 /nfs/dbraw/zinc/87/24/74/789872474.db2.gz GBFBKRMUUUNGSH-UHFFFAOYSA-N 0 0 285.294 1.711 20 10 CDCDRN CO[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000866047913 789872945 /nfs/dbraw/zinc/87/29/45/789872945.db2.gz LJWDDRVKZVVKLS-AWEZNQCLSA-N 0 0 293.367 1.267 20 10 CDCDRN C[C@@H](NC(=O)[C@@H]1CCCN1C=O)c1ccc(N(C)C)cc1 ZINC000832431804 789934875 /nfs/dbraw/zinc/93/48/75/789934875.db2.gz VFUSRBBRKCTSJD-DOMZBBRYSA-N 0 0 289.379 1.551 20 10 CDCDRN CC[C@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775025156 790034321 /nfs/dbraw/zinc/03/43/21/790034321.db2.gz TYQPRMDDZAXQIT-SNVBAGLBSA-N 0 0 284.312 1.560 20 10 CDCDRN CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)C(C)=O)c1C ZINC000808485306 790043789 /nfs/dbraw/zinc/04/37/89/790043789.db2.gz NOVNYVMFNXBBON-UHFFFAOYSA-N 0 0 295.291 1.123 20 10 CDCDRN Cc1cc(S(=O)(=O)N(C)Cc2ccccc2O)sn1 ZINC000866833687 790058571 /nfs/dbraw/zinc/05/85/71/790058571.db2.gz DEYQQYGJSYTHPY-UHFFFAOYSA-N 0 0 298.389 1.978 20 10 CDCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ncccc2O)c1 ZINC000104900919 790079401 /nfs/dbraw/zinc/07/94/01/790079401.db2.gz BRVZTRSUXILNHS-VIFPVBQESA-N 0 0 288.303 1.992 20 10 CDCDRN C[C@H]1CSCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841955000 790082806 /nfs/dbraw/zinc/08/28/06/790082806.db2.gz SNNJVXOTWGFTRO-NSHDSACASA-N 0 0 279.409 1.958 20 10 CDCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H](O)C1CC1 ZINC000821841516 790088901 /nfs/dbraw/zinc/08/89/01/790088901.db2.gz DJCZWEMRQVZZLE-HNNXBMFYSA-N 0 0 274.364 1.674 20 10 CDCDRN O=C(NCc1ccccc1O)c1ccc([N+](=O)[O-])[nH]1 ZINC000133934543 790097141 /nfs/dbraw/zinc/09/71/41/790097141.db2.gz PQWRSGZMPMRIBQ-UHFFFAOYSA-N 0 0 261.237 1.559 20 10 CDCDRN O=C1NCCC[C@H]1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000839196098 790099091 /nfs/dbraw/zinc/09/90/91/790099091.db2.gz QTMYBWYIRDBQCP-JTQLQIEISA-N 0 0 268.744 1.661 20 10 CDCDRN CCn1cc(C(=O)NCc2cc(Cl)ccc2O)nn1 ZINC000823986575 790099935 /nfs/dbraw/zinc/09/99/35/790099935.db2.gz MJSOXBCJDXBLOE-UHFFFAOYSA-N 0 0 280.715 1.587 20 10 CDCDRN COc1cc([N+](=O)[O-])c(N2C[C@H]3C[C@@]3(CO)C2)cc1OC ZINC000782407081 791251682 /nfs/dbraw/zinc/25/16/82/791251682.db2.gz NUFNIUXTNGNSRC-OTYXRUKQSA-N 0 0 294.307 1.431 20 10 CDCDRN Nc1ccc(OCc2cn([C@H]3CCCC[C@H]3O)nn2)cc1 ZINC000881404430 791268447 /nfs/dbraw/zinc/26/84/47/791268447.db2.gz KRUKFAFTGHJUIR-LSDHHAIUSA-N 0 0 288.351 1.915 20 10 CDCDRN Cc1ccc(C(=O)NC[C@](C)(O)C(C)C)c(O)c1O ZINC000182532846 791337419 /nfs/dbraw/zinc/33/74/19/791337419.db2.gz VVXBTXILQBHTCR-AWEZNQCLSA-N 0 0 267.325 1.543 20 10 CDCDRN Cc1nccc(C(=O)NCc2ccc(N(C)C)cc2)n1 ZINC000048608811 791396205 /nfs/dbraw/zinc/39/62/05/791396205.db2.gz FGTFKQALGXBRGV-UHFFFAOYSA-N 0 0 270.336 1.781 20 10 CDCDRN C[C@H]1CC2(CC(NC(=O)c3cccc(O)c3O)C2)CO1 ZINC000888724075 791420872 /nfs/dbraw/zinc/42/08/72/791420872.db2.gz WQDQTISWUVJVKQ-YLTRJXTNSA-N 0 0 277.320 1.785 20 10 CDCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1nncn1C1CC1 ZINC000803515359 791445601 /nfs/dbraw/zinc/44/56/01/791445601.db2.gz ODMBPKTZIPBVQO-QHHAFSJGSA-N 0 0 286.291 1.676 20 10 CDCDRN COc1c([O-])c(C[NH2+]CC(C)(C)CO)ccc1[N+](=O)[O-] ZINC000775031107 791457936 /nfs/dbraw/zinc/45/79/36/791457936.db2.gz BUBMVXVBEVYEGV-UHFFFAOYSA-N 0 0 284.312 1.417 20 10 CDCDRN COc1ccc(CNS(=O)(=O)CCCF)c(O)c1 ZINC000795357196 791491435 /nfs/dbraw/zinc/49/14/35/791491435.db2.gz BQMPCJLTHDHGOR-UHFFFAOYSA-N 0 0 277.317 1.180 20 10 CDCDRN CCn1ccc(C(=O)NCc2ccc(N(C)C)cc2)n1 ZINC000843519312 791527755 /nfs/dbraw/zinc/52/77/55/791527755.db2.gz AVMWJBSDIOYWBJ-UHFFFAOYSA-N 0 0 272.352 1.899 20 10 CDCDRN C[N@@H+](Cc1ccccc1O)C[C@@H](O)COCc1ccco1 ZINC000305241776 791562243 /nfs/dbraw/zinc/56/22/43/791562243.db2.gz RQMUKXNBQPDZEM-CQSZACIVSA-N 0 0 291.347 1.995 20 10 CDCDRN O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)C1=CC(=O)CS1 ZINC000839782500 791613279 /nfs/dbraw/zinc/61/32/79/791613279.db2.gz LIDDNKBCAXBUOU-PHIMTYICSA-N 0 0 282.365 1.047 20 10 CDCDRN NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000825278498 791743699 /nfs/dbraw/zinc/74/36/99/791743699.db2.gz DECXMNJKJBMUMP-SCZZXKLOSA-N 0 0 279.296 1.044 20 10 CDCDRN CN(C)C(=O)[C@H]1CSCN1C(=O)C1=CC(=O)CS1 ZINC000825228350 791796610 /nfs/dbraw/zinc/79/66/10/791796610.db2.gz WEMQVODVKZGRGU-MRVPVSSYSA-N 0 0 286.378 1.057 20 10 CDCDRN CC(C)(C)[C@H](CO)NC(=O)Nc1ccc(N)cc1 ZINC000841297562 791809165 /nfs/dbraw/zinc/80/91/65/791809165.db2.gz FWQRSDLOCDWTOC-NSHDSACASA-N 0 0 251.330 1.797 20 10 CDCDRN Cc1ccc(C(=O)N[C@H](C)c2csnn2)c(O)c1O ZINC000840535320 791815136 /nfs/dbraw/zinc/81/51/36/791815136.db2.gz MGHQCIIFEFOWPG-SSDOTTSWSA-N 0 0 279.321 1.749 20 10 CDCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCNC1=O ZINC000821841823 791819876 /nfs/dbraw/zinc/81/98/76/791819876.db2.gz GEAAPWQUBAUTMM-AWEZNQCLSA-N 0 0 287.363 1.039 20 10 CDCDRN CC[C@H]1CC[C@@H](C)N1C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841113865 791822169 /nfs/dbraw/zinc/82/21/69/791822169.db2.gz WIOJYMURGGNNHQ-MFKMUULPSA-N 0 0 275.352 1.997 20 10 CDCDRN Oc1ccc(F)cc1C[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000817418981 791825766 /nfs/dbraw/zinc/82/57/66/791825766.db2.gz NHULMPAIKBGWKQ-LLVKDONJSA-N 0 0 277.303 1.013 20 10 CDCDRN COCC[C@@H](CO)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000798940138 791828547 /nfs/dbraw/zinc/82/85/47/791828547.db2.gz AOCPCIOHNFBHBI-SCZZXKLOSA-N 0 0 275.295 1.718 20 10 CDCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H](O)C(C)C ZINC000796503232 791850580 /nfs/dbraw/zinc/85/05/80/791850580.db2.gz XLXUKDMWBNHHEL-CQSZACIVSA-N 0 0 264.369 1.694 20 10 CDCDRN CN(Cc1ccccc1O)S(=O)(=O)c1ccccn1 ZINC000132408991 791851656 /nfs/dbraw/zinc/85/16/56/791851656.db2.gz FFRFAOVNIRDUKD-UHFFFAOYSA-N 0 0 278.333 1.608 20 10 CDCDRN CON(C)C(=O)[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000858320676 791866502 /nfs/dbraw/zinc/86/65/02/791866502.db2.gz ZEPVTZSIUCVMBZ-JTQLQIEISA-N 0 0 283.347 1.390 20 10 CDCDRN C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000841011006 791879420 /nfs/dbraw/zinc/87/94/20/791879420.db2.gz ZNCBILLAPXDNLK-SNVBAGLBSA-N 0 0 261.325 1.466 20 10 CDCDRN CCc1cccc(CN2CCNC(=O)[C@H]2CC)c1O ZINC000848886676 791934994 /nfs/dbraw/zinc/93/49/94/791934994.db2.gz VMCVDVDLBWVYSD-CYBMUJFWSA-N 0 0 262.353 1.665 20 10 CDCDRN CC(C)[C@](C)(O)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784782321 791965356 /nfs/dbraw/zinc/96/53/56/791965356.db2.gz CTYMYFZCGJTRFZ-AWEZNQCLSA-N 0 0 282.292 1.231 20 10 CDCDRN Cc1c(CNC(=O)/C=C/c2ccc(O)c(O)c2)cnn1C ZINC000181267615 792017514 /nfs/dbraw/zinc/01/75/14/792017514.db2.gz PCZIDEFPEOZOPN-GQCTYLIASA-N 0 0 287.319 1.469 20 10 CDCDRN COCC(COC)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858172292 792091008 /nfs/dbraw/zinc/09/10/08/792091008.db2.gz PSEIKLPXPMABJX-UHFFFAOYSA-N 0 0 288.338 1.782 20 10 CDCDRN C[C@@H]1OC(=O)N[C@@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846474551 792100122 /nfs/dbraw/zinc/10/01/22/792100122.db2.gz UZOXMONYWJQWBU-WKEGUHRASA-N 0 0 284.699 1.159 20 10 CDCDRN CCCNC(=O)CCNC(=O)c1ccc(C)c(O)c1O ZINC000177675254 792146949 /nfs/dbraw/zinc/14/69/49/792146949.db2.gz RDTHZGCBCPAJBE-UHFFFAOYSA-N 0 0 280.324 1.052 20 10 CDCDRN CC[C@]1(O)CCCN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000870680884 792171753 /nfs/dbraw/zinc/17/17/53/792171753.db2.gz NPBICSAYRCKANT-HNNXBMFYSA-N 0 0 279.336 1.783 20 10 CDCDRN O=C1NC(=S)NC(=O)C1=CNc1cccc(Cl)c1F ZINC000060864506 792183046 /nfs/dbraw/zinc/18/30/46/792183046.db2.gz HIJGUCBDARWUFP-UHFFFAOYSA-N 0 0 299.714 1.306 20 10 CDCDRN C[C@H](NC(=O)N[C@@H](CO)CCF)c1ccc(N(C)C)cc1 ZINC000845123330 792228821 /nfs/dbraw/zinc/22/88/21/792228821.db2.gz BCKDSMWMJNXZQK-WCQYABFASA-N 0 0 297.374 1.833 20 10 CDCDRN CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000857083899 792303372 /nfs/dbraw/zinc/30/33/72/792303372.db2.gz AJMFZNDZUNOHAX-MWLCHTKSSA-N 0 0 293.323 1.572 20 10 CDCDRN [O-]c1c(Cl)cccc1C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000783739644 792311537 /nfs/dbraw/zinc/31/15/37/792311537.db2.gz GPEKJFDNPCWTKF-MFKMUULPSA-N 0 0 253.729 1.860 20 10 CDCDRN CCC(=O)C1(C(=O)NCc2ccc(OC)cc2O)CC1 ZINC000831032346 792317467 /nfs/dbraw/zinc/31/74/67/792317467.db2.gz CTTZFBFJSYDSPZ-UHFFFAOYSA-N 0 0 277.320 1.776 20 10 CDCDRN COc1cc(O)c(CN2CC3(C2)CCCO3)cc1OC ZINC000862484602 792380880 /nfs/dbraw/zinc/38/08/80/792380880.db2.gz WIGAXPWMTPGVFI-UHFFFAOYSA-N 0 0 279.336 1.774 20 10 CDCDRN CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)CCO1 ZINC000841084075 792443837 /nfs/dbraw/zinc/44/38/37/792443837.db2.gz WILWHZNKSUISJD-CYBMUJFWSA-N 0 0 291.351 1.091 20 10 CDCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCC(=O)C1 ZINC000935945458 792470137 /nfs/dbraw/zinc/47/01/37/792470137.db2.gz YBGYDEQVCKVRDI-JTQLQIEISA-N 0 0 282.336 1.863 20 10 CDCDRN COC(=O)[C@H]1CN(Cc2ccc(C)cc2O)CCO1 ZINC000876688768 792476898 /nfs/dbraw/zinc/47/68/98/792476898.db2.gz NQCUMGJPDSFAPI-CYBMUJFWSA-N 0 0 265.309 1.074 20 10 CDCDRN O=C(C1=CC(=O)CS1)N1CCN(C(=O)C2CC2)C1 ZINC000817770496 792729977 /nfs/dbraw/zinc/72/99/77/792729977.db2.gz VQBJSDRYYPDKKJ-UHFFFAOYSA-N 0 0 266.322 1.106 20 10 CDCDRN C[C@H](C[S@@](C)=O)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000168867335 792740340 /nfs/dbraw/zinc/74/03/40/792740340.db2.gz RKXSJIJXDDJRQR-NMIRZEMHSA-N 0 0 259.346 1.949 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)/C=C1/SCC(=O)N1C ZINC000820880207 792804649 /nfs/dbraw/zinc/80/46/49/792804649.db2.gz YIDGHIXDGGTWDU-VGOFMYFVSA-N 0 0 292.360 1.397 20 10 CDCDRN C[C@H](O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000786826246 792810230 /nfs/dbraw/zinc/81/02/30/792810230.db2.gz DYGAHHLXKUUUKM-RYUDHWBXSA-N 0 0 278.352 1.081 20 10 CDCDRN C[C@H](NC(=O)CCc1cn[nH]n1)c1ccc(N(C)C)cc1 ZINC000867502739 792811540 /nfs/dbraw/zinc/81/15/40/792811540.db2.gz CAQUHJAWMKHCPX-NSHDSACASA-N 0 0 287.367 1.681 20 10 CDCDRN CC(=O)C(=O)COC(=O)C(C)(C)Oc1ccc(F)cc1 ZINC000808489426 792819293 /nfs/dbraw/zinc/81/92/93/792819293.db2.gz QBURCULSMRIQEJ-UHFFFAOYSA-N 0 0 282.267 1.684 20 10 CDCDRN CN1CCCc2cc(CNC(=O)Cn3cccn3)ccc21 ZINC000058769218 792841823 /nfs/dbraw/zinc/84/18/23/792841823.db2.gz UGQNLVHKEIXPNP-UHFFFAOYSA-N 0 0 284.363 1.582 20 10 CDCDRN COC(=O)[C@H]1CSCCN1C(=O)C1=CC(=O)CS1 ZINC000925198570 792853525 /nfs/dbraw/zinc/85/35/25/792853525.db2.gz VCDLBRVQSCEZFO-MRVPVSSYSA-N 0 0 287.362 1.184 20 10 CDCDRN CCOC(=O)CN(CC)C(=O)c1c(F)ccc(O)c1O ZINC000827180344 792890501 /nfs/dbraw/zinc/89/05/01/792890501.db2.gz FTFOKTVCCRLYLO-UHFFFAOYSA-N 0 0 285.271 1.262 20 10 CDCDRN COC(=O)C1(C(=O)N[C@H](C)c2ccccc2O)CC1 ZINC000827941504 792965738 /nfs/dbraw/zinc/96/57/38/792965738.db2.gz SSTUQMGGCGWHEI-SECBINFHSA-N 0 0 263.293 1.523 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)NCCOCCF ZINC000824330481 793004071 /nfs/dbraw/zinc/00/40/71/793004071.db2.gz FLBJLHKJLHTHKZ-UHFFFAOYSA-N 0 0 270.304 1.520 20 10 CDCDRN COc1cccc([C@@H](C)NCC(F)(F)CO)c1O ZINC000846165138 793031957 /nfs/dbraw/zinc/03/19/57/793031957.db2.gz SSKHFYQKADAIQQ-MRVPVSSYSA-N 0 0 261.268 1.679 20 10 CDCDRN C[C@H]1C(=O)NCCN1Cc1ccc(Br)cc1O ZINC000824645924 793143622 /nfs/dbraw/zinc/14/36/22/793143622.db2.gz TVWNTKLYNPZROC-QMMMGPOBSA-N 0 0 299.168 1.475 20 10 CDCDRN Cc1onc(CO)c1C(=O)NCc1ccccc1O ZINC000857472695 793179886 /nfs/dbraw/zinc/17/98/86/793179886.db2.gz WPGUWVDXBQJIDY-UHFFFAOYSA-N 0 0 262.265 1.111 20 10 CDCDRN CC(=O)NCc1cn(Cc2ccc(N(C)C)cc2)nn1 ZINC000881272536 793211051 /nfs/dbraw/zinc/21/10/51/793211051.db2.gz ZCHATTONLJFEDE-UHFFFAOYSA-N 0 0 273.340 1.029 20 10 CDCDRN CCC(=O)N[C@H](C)c1nc(Cc2ccc(N)cc2)no1 ZINC000843158372 793359549 /nfs/dbraw/zinc/35/95/49/793359549.db2.gz CCUQTZXNGUSRGE-SECBINFHSA-N 0 0 274.324 1.830 20 10 CDCDRN O=C(NCc1ccc(N2CCOCC2)cc1)C1CSC1 ZINC000864984205 793362776 /nfs/dbraw/zinc/36/27/76/793362776.db2.gz JOBYGWXXOHYFGN-UHFFFAOYSA-N 0 0 292.404 1.502 20 10 CDCDRN COc1ccc(O)c(CNC(=O)c2cc(C)nn2C)c1 ZINC000114541966 793446744 /nfs/dbraw/zinc/44/67/44/793446744.db2.gz PHFAKNKURAGGPF-UHFFFAOYSA-N 0 0 275.308 1.373 20 10 CDCDRN COC(=O)[C@H]1C[C@@H](NC(=O)NCc2cc(C)ccc2O)C1 ZINC000875670465 793522532 /nfs/dbraw/zinc/52/25/32/793522532.db2.gz VBQUAWSGUQMIQY-KLPPZKSPSA-N 0 0 292.335 1.451 20 10 CDCDRN COC(=O)NCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000053485571 793567112 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C[NH+]1CCC2(CCCN2C(=O)c2cccc(O)c2O)CC1 ZINC000365584419 359566193 /nfs/dbraw/zinc/56/61/93/359566193.db2.gz FKYALSMGAGPZIB-UHFFFAOYSA-N 0 0 290.363 1.798 20 10 CDCDRN COCC1(O)CN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000297401325 200176542 /nfs/dbraw/zinc/17/65/42/200176542.db2.gz CDOBBZNDKXYNHE-UHFFFAOYSA-N 0 0 287.743 1.247 20 10 CDCDRN Cc1ccc(C(=O)N2CCC3(CC2)OCCO3)c(O)c1O ZINC000267620193 363859648 /nfs/dbraw/zinc/85/96/48/363859648.db2.gz UPLKROPFMGYKQR-UHFFFAOYSA-N 0 0 293.319 1.385 20 10 CDCDRN C[C@H](CO[C@H]1CCOC1)NC(=O)NCc1ccccc1O ZINC000267875815 363920052 /nfs/dbraw/zinc/92/00/52/363920052.db2.gz DGSAAVIFHUVITC-YPMHNXCESA-N 0 0 294.351 1.385 20 10 CDCDRN CN(Cc1ccccc1O)S(=O)(=O)Cc1ccon1 ZINC000269851088 364358140 /nfs/dbraw/zinc/35/81/40/364358140.db2.gz XLOLNLGUGBDAKL-UHFFFAOYSA-N 0 0 282.321 1.342 20 10 CDCDRN COC(=O)N[C@@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000270524776 364638540 /nfs/dbraw/zinc/63/85/40/364638540.db2.gz SJRTWWMUDODIKO-NSHDSACASA-N 0 0 293.367 1.456 20 10 CDCDRN CNC(=O)[C@H]1CCCCN1Cc1ccc(N(C)C)c(F)c1 ZINC000271096702 364920587 /nfs/dbraw/zinc/92/05/87/364920587.db2.gz ZJDUFIKIIWMMBR-OAHLLOKOSA-N 0 0 293.386 1.992 20 10 CDCDRN CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000271216719 364976155 /nfs/dbraw/zinc/97/61/55/364976155.db2.gz NIRGQSPPMKODKD-NSHDSACASA-N 0 0 281.375 1.706 20 10 CDCDRN C[C@H]1C[C@@H](NC(=O)NCc2ccccc2O)CCO1 ZINC000271315699 364980648 /nfs/dbraw/zinc/98/06/48/364980648.db2.gz XOUVVOWMJJYCRE-JQWIXIFHSA-N 0 0 264.325 1.759 20 10 CDCDRN CN(C)c1ccc(CNS(=O)(=O)C[C@@H]2CCCO2)cc1 ZINC000170656621 365084509 /nfs/dbraw/zinc/08/45/09/365084509.db2.gz WQAHDBNVFOVAQH-AWEZNQCLSA-N 0 0 298.408 1.351 20 10 CDCDRN COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)Cc1ccccc1O ZINC000171187159 365223466 /nfs/dbraw/zinc/22/34/66/365223466.db2.gz NJZJEQDJSSQEIS-WDEREUQCSA-N 0 0 263.293 1.160 20 10 CDCDRN COC(=O)[C@H](C)CN(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272350483 365200894 /nfs/dbraw/zinc/20/08/94/365200894.db2.gz AVOOAWWMKZEUTD-BREXMAIKSA-N 0 0 293.319 1.379 20 10 CDCDRN COCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])C1 ZINC000273572580 365507788 /nfs/dbraw/zinc/50/77/88/365507788.db2.gz KZNUUFVNENWGFF-WCQYABFASA-N 0 0 282.359 1.903 20 10 CDCDRN C[S@@](=O)C1(CNC(=O)NCc2ccccc2O)CC1 ZINC000282152700 367748608 /nfs/dbraw/zinc/74/86/08/367748608.db2.gz ILBJRGQMSPGMJR-LJQANCHMSA-N 0 0 282.365 1.103 20 10 CDCDRN C[C@@H]([NH2+]C[C@@H](C)CCO)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273601720 296127036 /nfs/dbraw/zinc/12/70/36/296127036.db2.gz SATVHAFKQWMBSM-VHSXEESVSA-N 0 0 268.313 1.970 20 10 CDCDRN O=C(NCc1noc2c1CCCC2)c1cccc(O)c1O ZINC000288028794 369386944 /nfs/dbraw/zinc/38/69/44/369386944.db2.gz AGRKJWXCWPZBEU-UHFFFAOYSA-N 0 0 288.303 1.895 20 10 CDCDRN Cc1nn(C)cc1[C@@H](C)NC(=O)c1c(F)ccc(O)c1O ZINC000295059883 371123688 /nfs/dbraw/zinc/12/36/88/371123688.db2.gz KRRHVLWXDMMAJA-SSDOTTSWSA-N 0 0 293.298 1.770 20 10 CDCDRN CCN(C)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273384052 284339378 /nfs/dbraw/zinc/33/93/78/284339378.db2.gz IZHCIRZBFSCKTO-JTQLQIEISA-N 0 0 267.329 1.903 20 10 CDCDRN C[C@H](CCO)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000295203886 378662421 /nfs/dbraw/zinc/66/24/21/378662421.db2.gz ZCUUQCLQCIIYRR-JTQLQIEISA-N 0 0 268.313 1.799 20 10 CDCDRN C[C@H](CCO)CCNC(=O)c1c(F)ccc(O)c1O ZINC000295345665 378669951 /nfs/dbraw/zinc/66/99/51/378669951.db2.gz IFCZSRJUCIUYLB-QMMMGPOBSA-N 0 0 271.288 1.375 20 10 CDCDRN CCOCC[C@@H](O)CSc1ncc(C(=O)OC)s1 ZINC000296136628 378718299 /nfs/dbraw/zinc/71/82/99/378718299.db2.gz MBIWJPURIVSBKE-MRVPVSSYSA-N 0 0 291.394 1.809 20 10 CDCDRN Cn1c2ccc(OCC(N)=O)cc2c2c1CCCC2 ZINC000647164437 390649473 /nfs/dbraw/zinc/64/94/73/390649473.db2.gz VMVYVCZLWKGRJJ-UHFFFAOYSA-N 0 0 258.321 1.921 20 10 CDCDRN O=C(NCCc1ccc(O)c(O)c1)[C@H]1C[C@]12CCOC2 ZINC000363799273 391226492 /nfs/dbraw/zinc/22/64/92/391226492.db2.gz SKDZKIJRHSDCAZ-ABAIWWIYSA-N 0 0 277.320 1.183 20 10 CDCDRN COc1ccc(N2CCN(CC3OCCO3)CC2)cc1F ZINC000182447185 391235104 /nfs/dbraw/zinc/23/51/04/391235104.db2.gz KKPLNGXLRAJOAP-UHFFFAOYSA-N 0 0 296.342 1.329 20 10 CDCDRN CCO[C@@H]1C[C@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000182532379 391236606 /nfs/dbraw/zinc/23/66/06/391236606.db2.gz YTMTUBJROCJQNP-BXKDBHETSA-N 0 0 251.282 1.139 20 10 CDCDRN Cc1ccc(C(=O)NC[C@@H](C)C[C@@H](C)O)c(O)c1O ZINC000179512727 391208664 /nfs/dbraw/zinc/20/86/64/391208664.db2.gz LSUBQQJLDUBVKJ-WCBMZHEXSA-N 0 0 267.325 1.543 20 10 CDCDRN Cc1ccc(C(=O)NC[C@@](C)(O)c2ccco2)c(O)c1O ZINC000179529227 391209651 /nfs/dbraw/zinc/20/96/51/391209651.db2.gz CNVJHTDHJFBOFR-OAHLLOKOSA-N 0 0 291.303 1.637 20 10 CDCDRN C[NH+](C)C[C@H]1CN(Cc2cccc(Cl)c2[O-])CCO1 ZINC000183399938 391263805 /nfs/dbraw/zinc/26/38/05/391263805.db2.gz XRTGWODMGRBYTJ-LBPRGKRZSA-N 0 0 284.787 1.808 20 10 CDCDRN CNC(=O)C1CN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000297381035 391704949 /nfs/dbraw/zinc/70/49/49/391704949.db2.gz JMALGGCKLLXQLB-UHFFFAOYSA-N 0 0 265.332 1.070 20 10 CDCDRN C[C@@H](NCc1ccc2c(c1)CCO2)c1nncn1C ZINC000037363311 173152228 /nfs/dbraw/zinc/15/22/28/173152228.db2.gz MSBRUXDEBRQMLI-SNVBAGLBSA-N 0 0 258.325 1.601 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)CS(=O)(=O)C(C)(C)C ZINC000156214984 261116976 /nfs/dbraw/zinc/11/69/76/261116976.db2.gz ZSNKHOIOOPTBKP-UHFFFAOYSA-N 0 0 299.392 1.564 20 10 CDCDRN CC(=O)N1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000157844400 261153885 /nfs/dbraw/zinc/15/38/85/261153885.db2.gz FKICMLDUYNMQPS-UHFFFAOYSA-N 0 0 279.359 1.556 20 10 CDCDRN CCN(C)S(=O)(=O)N(C)Cc1ccccc1O ZINC000159646105 261190181 /nfs/dbraw/zinc/19/01/81/261190181.db2.gz XFDIKWTYROZFMR-UHFFFAOYSA-N 0 0 258.343 1.021 20 10 CDCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCSCC1 ZINC000180667507 261870301 /nfs/dbraw/zinc/87/03/01/261870301.db2.gz CEZIEWOGKKMTTL-DUXPYHPUSA-N 0 0 265.334 1.686 20 10 CDCDRN CCO[C@H](C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186402674 262092031 /nfs/dbraw/zinc/09/20/31/262092031.db2.gz LDXKOHYHTXYJDT-VHSXEESVSA-N 0 0 267.325 1.570 20 10 CDCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@H](O)C2(C)C)cc1 ZINC000186964455 262118138 /nfs/dbraw/zinc/11/81/38/262118138.db2.gz YHTNTVMNBZQJOW-KGLIPLIRSA-N 0 0 291.395 1.711 20 10 CDCDRN C[C@@H]([NH2+]CCC(C)(C)O)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589960874 1173212899 /nfs/dbraw/zinc/21/28/99/1173212899.db2.gz HUFCYNYLPIMKRE-SECBINFHSA-N 0 0 291.355 1.384 20 10 CDCDRN O=C(N[C@H]1CCN(c2ccccn2)C1)c1cccc(O)c1O ZINC000185886095 327849800 /nfs/dbraw/zinc/84/98/00/327849800.db2.gz ICPQKWABXIRCNL-NSHDSACASA-N 0 0 299.330 1.502 20 10 CDCDRN COC1(C(=O)NCc2ccc(N(C)C)cc2)CCC1 ZINC000272953292 328202145 /nfs/dbraw/zinc/20/21/45/328202145.db2.gz OVVLWOCBOVEXMZ-UHFFFAOYSA-N 0 0 262.353 1.938 20 10 CDCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCC2(O)CCC2)c1 ZINC000283803311 328245007 /nfs/dbraw/zinc/24/50/07/328245007.db2.gz ASOSOYRPCRPORR-UHFFFAOYSA-N 0 0 266.297 1.695 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000077258366 483482789 /nfs/dbraw/zinc/48/27/89/483482789.db2.gz FHJCQGMEEJLJOX-LBPRGKRZSA-N 0 0 288.347 1.362 20 10 CDCDRN CC(=O)C(=O)CSc1nc2ccsc2c(=O)n1C ZINC000289759639 519357549 /nfs/dbraw/zinc/35/75/49/519357549.db2.gz VLFZDVQYDYYXII-UHFFFAOYSA-N 0 0 282.346 1.245 20 10 CDCDRN CO[C@@H](C(=O)NCc1ccc(O)cc1O)C1CC1 ZINC000824230671 1161936737 /nfs/dbraw/zinc/93/67/37/1161936737.db2.gz HFRARYBLECASHL-GFCCVEGCSA-N 0 0 251.282 1.139 20 10 CDCDRN CC(=O)c1cc(F)cc(CN2CCCC[C@H]2C(N)=O)c1O ZINC000050147463 518283838 /nfs/dbraw/zinc/28/38/38/518283838.db2.gz HDIWCQMFRYFRCB-ZDUSSCGKSA-N 0 0 294.326 1.574 20 10 CDCDRN CC(=O)c1cc(F)cc(CN(CC(N)=O)C(C)C)c1O ZINC000050147078 518284199 /nfs/dbraw/zinc/28/41/99/518284199.db2.gz RBNVYUVHCYPLKV-UHFFFAOYSA-N 0 0 282.315 1.430 20 10 CDCDRN CC(C)(C)[C@@H](CO)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000192890628 518918645 /nfs/dbraw/zinc/91/86/45/518918645.db2.gz OEOLDZQHFXEWTB-VUDGCMKMSA-N 0 0 279.336 1.634 20 10 CDCDRN CC(=O)OC(C)(C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000275672325 519754681 /nfs/dbraw/zinc/75/46/81/519754681.db2.gz OQUOVFGEGRDPQZ-SECBINFHSA-N 0 0 295.335 1.487 20 10 CDCDRN CCOc1ccc(O)c(CN2CC(=O)N(CC3CC3)C2)c1 ZINC000279469368 521143753 /nfs/dbraw/zinc/14/37/53/521143753.db2.gz RXFSOKCGTBBLAF-UHFFFAOYSA-N 0 0 290.363 1.803 20 10 CDCDRN CCOc1cccc(CN(C)[C@@H](C)C(=O)OC)c1O ZINC000280906248 521333332 /nfs/dbraw/zinc/33/33/32/521333332.db2.gz PZZQAFPLPGABPH-JTQLQIEISA-N 0 0 267.325 1.784 20 10 CDCDRN CCOc1cccc(CN2CCN(C)C(=O)C2)c1O ZINC000127348545 521342004 /nfs/dbraw/zinc/34/20/04/521342004.db2.gz ZTEGSWJVYVZXET-UHFFFAOYSA-N 0 0 264.325 1.065 20 10 CDCDRN COc1c([O-])c(C[NH2+][C@@H]2CCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278473429 521878032 /nfs/dbraw/zinc/87/80/32/521878032.db2.gz HYPDIBDVUOVWGQ-GXSJLCMTSA-N 0 0 296.323 1.966 20 10 CDCDRN CC[C@H](C)[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)OC ZINC000037044891 521961730 /nfs/dbraw/zinc/96/17/30/521961730.db2.gz QQLSKUPFXSBNSX-HZMBPMFUSA-N 0 0 278.352 1.515 20 10 CDCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)OC)c1 ZINC000276877571 522135682 /nfs/dbraw/zinc/13/56/82/522135682.db2.gz FUAVZOYLWBOEGU-NXEZZACHSA-N 0 0 267.325 1.864 20 10 CDCDRN CN(CCCCCO)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000279571489 522730632 /nfs/dbraw/zinc/73/06/32/522730632.db2.gz RIBHMXZZUAWSQY-SOFGYWHQSA-N 0 0 279.336 1.732 20 10 CDCDRN COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCO1 ZINC000278591111 522749202 /nfs/dbraw/zinc/74/92/02/522749202.db2.gz GYEMRFQJSCGUCX-JSGCOSHPSA-N 0 0 296.323 1.584 20 10 CDCDRN CC[C@@H]([NH2+][C@H]1COC[C@@H]1OC)c1ccc(F)cc1[O-] ZINC000290196448 522953512 /nfs/dbraw/zinc/95/35/12/522953512.db2.gz OSSCASZWZHJRFG-DYEKYZERSA-N 0 0 269.316 1.986 20 10 CDCDRN CC[C@@H]1CC[C@H](C(=O)NCCc2ccc(N)cc2)O1 ZINC000269144346 523357799 /nfs/dbraw/zinc/35/77/99/523357799.db2.gz AMICSNXYZYAMHQ-ZIAGYGMSSA-N 0 0 262.353 1.885 20 10 CDCDRN COCCN(CC(=O)OC)Cc1ccc(N(C)C)c(C)c1 ZINC000293263975 523670603 /nfs/dbraw/zinc/67/06/03/523670603.db2.gz XQGNVIISUVSFGH-UHFFFAOYSA-N 0 0 294.395 1.682 20 10 CDCDRN CO[C@H](C(=O)N(C)Cc1ccccc1O)c1cnn(C)c1 ZINC000282926407 523818105 /nfs/dbraw/zinc/81/81/05/523818105.db2.gz 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ZINC001346738731 965235399 /nfs/dbraw/zinc/23/53/99/965235399.db2.gz JXUDAKWTDNKXQF-WCQYABFASA-N 0 0 277.368 1.571 20 10 CDCDRN O=C([O-])CC[NH2+]Cc1c(O)cccc1Br ZINC000706674374 969017973 /nfs/dbraw/zinc/01/79/73/969017973.db2.gz RFGWWDQHMQLJPL-UHFFFAOYSA-N 0 0 274.114 1.719 20 10 CDCDRN CCN(C(=O)/C=C/c1cnc(OC)nc1)c1cnn(C)c1 ZINC000848343803 969019774 /nfs/dbraw/zinc/01/97/74/969019774.db2.gz QWVMVQQNXCIYLD-AATRIKPKSA-N 0 0 287.323 1.285 20 10 CDCDRN COc1cccc(O)c1CNCc1nnn(C(C)(C)C)n1 ZINC000848565826 969178264 /nfs/dbraw/zinc/17/82/64/969178264.db2.gz SWLNNKGXIKTTHW-UHFFFAOYSA-N 0 0 291.355 1.432 20 10 CDCDRN COc1cccc(C[NH2+]Cc2cc(C(=O)[O-])nn2C)c1O ZINC000874042240 969362477 /nfs/dbraw/zinc/36/24/77/969362477.db2.gz ZEPHMLACUNOZGM-UHFFFAOYSA-N 0 0 291.307 1.122 20 10 CDCDRN CCn1c([C@H](C)O)nnc1N(C)Cc1ccccc1O ZINC001356489827 969411251 /nfs/dbraw/zinc/41/12/51/969411251.db2.gz LEFSHGYIQFBKGX-JTQLQIEISA-N 0 0 276.340 1.693 20 10 CDCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC(C(N)=O)C2)cc1 ZINC001520395316 970180662 /nfs/dbraw/zinc/18/06/62/970180662.db2.gz JFIIWRPFAQCTSG-UHFFFAOYSA-N 0 0 297.358 1.651 20 10 CDCDRN O=C(NCc1cccc(O)c1O)c1cc2n(n1)CCCC2 ZINC001520508573 970193726 /nfs/dbraw/zinc/19/37/26/970193726.db2.gz GJZUZUZLCSIZIF-UHFFFAOYSA-N 0 0 287.319 1.561 20 10 CDCDRN COc1cccc([C@H](C)[NH2+]C[C@@H](C)C(=O)[O-])c1O ZINC001604857056 974100990 /nfs/dbraw/zinc/10/09/90/974100990.db2.gz MRGTTYAKCDBBLL-BDAKNGLRSA-N 0 0 253.298 1.772 20 10 CDCDRN CN(C)c1ccc(CN2CCC[NH2+]C[C@@H]2C(=O)[O-])cc1F ZINC001598317711 991306029 /nfs/dbraw/zinc/30/60/29/991306029.db2.gz KGCQAWBQUHIAJJ-CQSZACIVSA-N 0 0 295.358 1.140 20 10 CDCDRN COC[C@H](O)CC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001599179947 996924221 /nfs/dbraw/zinc/92/42/21/996924221.db2.gz YSKAHRDVGYBKIU-GXSJLCMTSA-N 0 0 283.324 1.138 20 10 CDCDRN COC(=O)CCCC(=O)NCc1ccccc1O ZINC000274118222 365565010 /nfs/dbraw/zinc/56/50/10/365565010.db2.gz SBCWLDLNUYIZFX-UHFFFAOYSA-N 0 0 251.282 1.352 20 10 CDCDRN CN1CCCc2cc(CNC(=O)c3cocn3)ccc21 ZINC000264205975 362995478 /nfs/dbraw/zinc/99/54/78/362995478.db2.gz QPSZTWYHABIRRD-UHFFFAOYSA-N 0 0 271.320 1.987 20 10 CDCDRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)Cc1ccc(N)cc1 ZINC000158558066 188381722 /nfs/dbraw/zinc/38/17/22/188381722.db2.gz WYDHRBGGPQGUEU-QWRGUYRKSA-N 0 0 298.408 1.091 20 10 CDCDRN COC(=O)CNC(=O)[C@@H](C)Sc1ncc(Cl)s1 ZINC000849998360 796476566 /nfs/dbraw/zinc/47/65/66/796476566.db2.gz DYOVBBJEZBFESO-RXMQYKEDSA-N 0 0 294.785 1.566 20 10 CDCDRN CCN(C(=O)/C=C/c1cnc(OC)nc1)c1cccnc1 ZINC000492719609 366179358 /nfs/dbraw/zinc/17/93/58/366179358.db2.gz XGTXBBMNMFDRGG-VOTSOKGWSA-N 0 0 284.319 1.947 20 10 CDCDRN CCn1ccnc(N(C)Cc2ccc(N(C)C)cc2)c1=O ZINC000179695303 357220605 /nfs/dbraw/zinc/22/06/05/357220605.db2.gz YXQOBKFJAIUZQY-UHFFFAOYSA-N 0 0 286.379 1.966 20 10 CDCDRN COc1ccc(O)c(CN2CCS(=O)(=O)[C@@H](C)[C@H]2C)c1 ZINC000180350884 357263523 /nfs/dbraw/zinc/26/35/23/357263523.db2.gz VITCLJGCCWMKCI-MNOVXSKESA-N 0 0 299.392 1.408 20 10 CDCDRN COC[C@@H]1CN(Cc2cccc(Cl)c2[O-])CCO1 ZINC000180327871 357263918 /nfs/dbraw/zinc/26/39/18/357263918.db2.gz JRQPAXNZCIZFJU-NSHDSACASA-N 0 0 271.744 1.893 20 10 CDCDRN C[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCO1 ZINC000180614440 357277822 /nfs/dbraw/zinc/27/78/22/357277822.db2.gz RRPZKLWWUQSBTR-GFAPAMAISA-N 0 0 263.293 1.358 20 10 CDCDRN C[C@H]1CCN(Cc2cc(F)ccc2O)CCS1(=O)=O ZINC000192049059 358171043 /nfs/dbraw/zinc/17/10/43/358171043.db2.gz VZGMVFZMHLZTEY-JTQLQIEISA-N 0 0 287.356 1.540 20 10 CDCDRN CCOC1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000294720050 199150550 /nfs/dbraw/zinc/15/05/50/199150550.db2.gz HHXGJTVPBKHCQG-GQCTYLIASA-N 0 0 263.293 1.358 20 10 CDCDRN COc1ccc(O)c(CN(CCO)CC(F)F)c1 ZINC000193027777 358259116 /nfs/dbraw/zinc/25/91/16/358259116.db2.gz BNSZNVHXLWAKPW-UHFFFAOYSA-N 0 0 261.268 1.460 20 10 CDCDRN Cc1ccc([C@H](C)[NH2+]CC(=O)NCC2CC2)c(O)c1 ZINC000186505524 358801015 /nfs/dbraw/zinc/80/10/15/358801015.db2.gz XYQFXMYYGMCXCA-NSHDSACASA-N 0 0 262.353 1.877 20 10 CDCDRN C[C@H](NC(=O)N(C)Cc1ccccc1O)[C@H]1CCOC1 ZINC000266734468 363644650 /nfs/dbraw/zinc/64/46/50/363644650.db2.gz DHBVLMBDNIGEME-AAEUAGOBSA-N 0 0 278.352 1.959 20 10 CDCDRN Cc1ccc(O)c(C[NH2+]CCSCCCO)c1 ZINC000113338229 359394551 /nfs/dbraw/zinc/39/45/51/359394551.db2.gz ZYIGJPIYORYHGK-UHFFFAOYSA-N 0 0 255.383 1.906 20 10 CDCDRN CCC[C@]1(NC(=O)c2cccc(O)c2O)CCOC1 ZINC000287869107 359547177 /nfs/dbraw/zinc/54/71/77/359547177.db2.gz NHILRUPCHMKHLW-AWEZNQCLSA-N 0 0 265.309 1.787 20 10 CDCDRN COc1cccc(CNC(=O)CC2CCOCC2)c1O ZINC000117413533 359688642 /nfs/dbraw/zinc/68/86/42/359688642.db2.gz WKZODOCMEWUIBZ-UHFFFAOYSA-N 0 0 279.336 1.834 20 10 CDCDRN C[C@@H](O)CNc1cc(NCc2ccccc2O)ncn1 ZINC000298245093 200370318 /nfs/dbraw/zinc/37/03/18/200370318.db2.gz MHVRTECQJZHELA-SNVBAGLBSA-N 0 0 274.324 1.587 20 10 CDCDRN COC(=O)C[C@@H]1CN(Cc2cc(Cl)ccc2O)CCO1 ZINC000093458446 360297502 /nfs/dbraw/zinc/29/75/02/360297502.db2.gz FGRVIALBWJAOBD-GFCCVEGCSA-N 0 0 299.754 1.810 20 10 CDCDRN C[C@H](CS(C)(=O)=O)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124814781 360403764 /nfs/dbraw/zinc/40/37/64/360403764.db2.gz ZXBRXVSLEMAAPC-MRVPVSSYSA-N 0 0 277.773 1.568 20 10 CDCDRN Cc1nc2n(n1)CCN(Cc1cc(C)c(C)cc1O)C2 ZINC000271176611 364961886 /nfs/dbraw/zinc/96/18/86/364961886.db2.gz JLXOXYQEUGJOEY-UHFFFAOYSA-N 0 0 272.352 1.925 20 10 CDCDRN CCN(Cc1cc(F)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000179883348 365000088 /nfs/dbraw/zinc/00/00/88/365000088.db2.gz XFOYARKEYWLXMM-GFCCVEGCSA-N 0 0 287.356 1.540 20 10 CDCDRN Cn1cc([C@H]2CCN(C(=O)Cc3ccc(N)cc3)C2)cn1 ZINC000169155628 365029905 /nfs/dbraw/zinc/02/99/05/365029905.db2.gz BBGOAXWCSSKLGS-ZDUSSCGKSA-N 0 0 284.363 1.561 20 10 CDCDRN Cc1ccc(C(=O)N[C@H](C)CO[C@@H]2CCOC2)c(O)c1O ZINC000272719843 365364899 /nfs/dbraw/zinc/36/48/99/365364899.db2.gz HBYOQHCKZYUEFR-GHMZBOCLSA-N 0 0 295.335 1.330 20 10 CDCDRN Cc1ccc(C(=O)N[C@H](C)[C@H]2CCOC2)c(O)c1O ZINC000272745692 365379018 /nfs/dbraw/zinc/37/90/18/365379018.db2.gz NALIIJSJVLAKFB-ZJUUUORDSA-N 0 0 265.309 1.561 20 10 CDCDRN CC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@@H]1CCNC1=O ZINC000281764780 367684014 /nfs/dbraw/zinc/68/40/14/367684014.db2.gz LTONALMZNSUZJB-LLVKDONJSA-N 0 0 294.351 1.120 20 10 CDCDRN O=C1NC[C@@H](COc2ccc(N3CCCC3)cc2)O1 ZINC000282294032 367816566 /nfs/dbraw/zinc/81/65/66/367816566.db2.gz QVHJPPKYTSULJO-ZDUSSCGKSA-N 0 0 262.309 1.774 20 10 CDCDRN CN1CCN(C(=O)CCSc2nccs2)CC1 ZINC000282861267 368073987 /nfs/dbraw/zinc/07/39/87/368073987.db2.gz BKJRZXYQAHQINH-UHFFFAOYSA-N 0 0 271.411 1.399 20 10 CDCDRN COc1ccc(N2CCN(Cc3cn[nH]n3)CC2)cc1 ZINC000283682496 368357318 /nfs/dbraw/zinc/35/73/18/368357318.db2.gz GDAFIOQVUIXACA-UHFFFAOYSA-N 0 0 273.340 1.136 20 10 CDCDRN CC[C@H]([NH2+]CC(=O)N1CCOCC1)c1ccc(F)cc1[O-] ZINC000285973112 368680546 /nfs/dbraw/zinc/68/05/46/368680546.db2.gz GEKCDMGJPITIRG-ZDUSSCGKSA-N 0 0 296.342 1.431 20 10 CDCDRN CN(C)c1ccc(CNC(=O)Cn2cnc(Cl)n2)cc1 ZINC000287272619 369145295 /nfs/dbraw/zinc/14/52/95/369145295.db2.gz QZTKGZZGKKYSJS-UHFFFAOYSA-N 0 0 293.758 1.314 20 10 CDCDRN CC[C@@H]([NH2+][C@H](CO)CCOC)c1ccc(F)cc1[O-] ZINC000287614442 369254373 /nfs/dbraw/zinc/25/43/73/369254373.db2.gz SPZSPRMPNJKBLA-WCQYABFASA-N 0 0 271.332 1.969 20 10 CDCDRN O=C(c1cccc(O)c1O)N1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000294690302 371084235 /nfs/dbraw/zinc/08/42/35/371084235.db2.gz GDJHASINFWHHEE-GDBMZVCRSA-N 0 0 289.331 1.881 20 10 CDCDRN C[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@H](C2CC2)O1 ZINC000296319272 371709443 /nfs/dbraw/zinc/70/94/43/371709443.db2.gz ORBNTHYVTPDJBZ-QPUJVOFHSA-N 0 0 295.310 1.876 20 10 CDCDRN COc1cccc(C[N@H+](C)Cc2cnn(C)c2)c1O ZINC000119710606 390855612 /nfs/dbraw/zinc/85/56/12/390855612.db2.gz ZAAXNOKFKPHYTI-UHFFFAOYSA-N 0 0 261.325 1.766 20 10 CDCDRN COc1cccc(CN(C)[C@H]2CCS(=O)(=O)C2)c1O ZINC000132409576 390896061 /nfs/dbraw/zinc/89/60/61/390896061.db2.gz VASGDNIGVMDWBR-NSHDSACASA-N 0 0 285.365 1.020 20 10 CDCDRN C[C@H](O)CC[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000093481801 390902928 /nfs/dbraw/zinc/90/29/28/390902928.db2.gz LPFPTRNDKMGVTP-VIFPVBQESA-N 0 0 253.298 1.324 20 10 CDCDRN COCCC1(C(=O)NCCc2ccc(O)c(O)c2)CC1 ZINC000122931240 390908345 /nfs/dbraw/zinc/90/83/45/390908345.db2.gz DIUIZULDWILOSQ-UHFFFAOYSA-N 0 0 279.336 1.573 20 10 CDCDRN COc1ccc(CNC(=O)[C@H]2CC23CCOCC3)c(O)c1 ZINC000373665376 391126414 /nfs/dbraw/zinc/12/64/14/391126414.db2.gz HOLGEJATUMJLRA-CYBMUJFWSA-N 0 0 291.347 1.834 20 10 CDCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCC(N)=O)cc1 ZINC000175433254 391134995 /nfs/dbraw/zinc/13/49/95/391134995.db2.gz ZUCOLAHBYCEORO-UHFFFAOYSA-N 0 0 285.347 1.699 20 10 CDCDRN Cc1ccc(C(=O)N[C@H](C(N)=O)C(C)(C)C)c(O)c1O ZINC000182393148 391234083 /nfs/dbraw/zinc/23/40/83/391234083.db2.gz HQOCKZNGUXTUEN-LLVKDONJSA-N 0 0 280.324 1.036 20 10 CDCDRN CC(C)Cn1cc(C(=O)NCc2ccc(O)c(O)c2)cn1 ZINC000183288344 391260479 /nfs/dbraw/zinc/26/04/79/391260479.db2.gz LKXZKOAFAWBGKR-UHFFFAOYSA-N 0 0 289.335 1.880 20 10 CDCDRN COC(=O)COc1ccc(N(C)Cc2noc(C)n2)cc1 ZINC000183795680 391269748 /nfs/dbraw/zinc/26/97/48/391269748.db2.gz BXCDWKCBXFARHM-UHFFFAOYSA-N 0 0 291.307 1.566 20 10 CDCDRN O=C(c1cccc(O)c1O)N1CCO[C@@H]2CCC[C@H]21 ZINC000126349227 260350633 /nfs/dbraw/zinc/35/06/33/260350633.db2.gz MJTRGACPORYLIW-ZYHUDNBSSA-N 0 0 263.293 1.491 20 10 CDCDRN Cc1cc(CC(=O)N(C)Cc2ccc(N(C)C)cc2)[nH]n1 ZINC000151978242 261057929 /nfs/dbraw/zinc/05/79/29/261057929.db2.gz LDWGMTBAXXLZCP-UHFFFAOYSA-N 0 0 286.379 1.985 20 10 CDCDRN CC(C)N(C)S(=O)(=O)NCc1ccccc1O ZINC000158581811 261167208 /nfs/dbraw/zinc/16/72/08/261167208.db2.gz LNUPEERDPZKVDA-UHFFFAOYSA-N 0 0 258.343 1.067 20 10 CDCDRN C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185393076 262053067 /nfs/dbraw/zinc/05/30/67/262053067.db2.gz SOROEPVDTRXTOK-STQMWFEESA-N 0 0 295.402 1.818 20 10 CDCDRN COC(=O)[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(C)C ZINC000272528594 263005858 /nfs/dbraw/zinc/00/58/58/263005858.db2.gz WOKQLCYDKUXXKW-DYLGSBMWSA-N 0 0 293.319 1.425 20 10 CDCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H](O)c2ccccn2)cc1 ZINC000279151303 263053344 /nfs/dbraw/zinc/05/33/44/263053344.db2.gz 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CDCDRN C[C@@H]1SCC[C@@H]1NC(=O)c1cccc(O)c1O ZINC000310454734 805010061 /nfs/dbraw/zinc/01/00/61/805010061.db2.gz CONJKHWLVGKLLO-CBAPKCEASA-N 0 0 253.323 1.722 20 10 CDCDRN COc1ccc(CNS(=O)(=O)c2ccsc2)c(O)c1 ZINC000795964551 805034593 /nfs/dbraw/zinc/03/45/93/805034593.db2.gz VIQDXUJBZWARGQ-UHFFFAOYSA-N 0 0 299.373 1.941 20 10 CDCDRN COc1cccc([C@H](C)NCC(F)(F)CO)c1O ZINC000846165139 805050711 /nfs/dbraw/zinc/05/07/11/805050711.db2.gz SSKHFYQKADAIQQ-QMMMGPOBSA-N 0 0 261.268 1.679 20 10 CDCDRN Cc1ccc(C(=O)N[C@@H](C)C2(CO)CC2)c(O)c1O ZINC000855481303 805074038 /nfs/dbraw/zinc/07/40/38/805074038.db2.gz PRIXFRJDDMAUCF-VIFPVBQESA-N 0 0 265.309 1.297 20 10 CDCDRN O=C(CN1CCCNC1=O)NCc1cc(Cl)ccc1O ZINC000846473149 805096507 /nfs/dbraw/zinc/09/65/07/805096507.db2.gz PLFNHCDVJAKKPV-UHFFFAOYSA-N 0 0 297.742 1.077 20 10 CDCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cnnn2C)c1 ZINC000798980068 805109262 /nfs/dbraw/zinc/10/92/62/805109262.db2.gz CNRSKKXMJNPYLX-MRVPVSSYSA-N 0 0 276.296 1.020 20 10 CDCDRN 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COCC[N@H+](Cc1cccc(Cl)c1[O-])[C@@H](C)C(N)=O ZINC000180072785 357242467 /nfs/dbraw/zinc/24/24/67/357242467.db2.gz TURKWZNKAYYKNP-VIFPVBQESA-N 0 0 286.759 1.368 20 10 CDCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCCC[C@H]1O ZINC000181227893 357326210 /nfs/dbraw/zinc/32/62/10/357326210.db2.gz WVYDHJZNBUZFPK-RQDOONKYSA-N 0 0 277.320 1.531 20 10 CDCDRN COc1ccc(N2CCN(CC(=O)NC(C)C)CC2)cc1 ZINC000058126839 357378398 /nfs/dbraw/zinc/37/83/98/357378398.db2.gz KVBYQNBISJOMCR-UHFFFAOYSA-N 0 0 291.395 1.342 20 10 CDCDRN O=C(N[C@@H]1CCN(c2ccccn2)C1)c1cccc(O)c1O ZINC000185886114 357589236 /nfs/dbraw/zinc/58/92/36/357589236.db2.gz ICPQKWABXIRCNL-LLVKDONJSA-N 0 0 299.330 1.502 20 10 CDCDRN CC1(C)[C@H](O)C[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000190488681 358076536 /nfs/dbraw/zinc/07/65/36/358076536.db2.gz GUUXHIBJHNZMDU-DRKGASSASA-N 0 0 277.320 1.387 20 10 CDCDRN C[C@H]1CN(CC[N@H+](C)Cc2ccccc2O)CCO1 ZINC000191571873 358139484 /nfs/dbraw/zinc/13/94/84/358139484.db2.gz AEFLCYMATBVCSW-ZDUSSCGKSA-N 0 0 264.369 1.545 20 10 CDCDRN O=C(NCCc1ccc(O)c(O)c1)NCC(F)(F)F ZINC000115171564 359528870 /nfs/dbraw/zinc/52/88/70/359528870.db2.gz MVLRIEGQWDFIMV-UHFFFAOYSA-N 0 0 278.230 1.502 20 10 CDCDRN Cc1nn(C)c(NCCc2ccc(O)c(O)c2)c1[N+](=O)[O-] ZINC000267211749 363765228 /nfs/dbraw/zinc/76/52/28/363765228.db2.gz BQGYHIDPFXYKGJ-UHFFFAOYSA-N 0 0 292.295 1.703 20 10 CDCDRN CO[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000269228475 364163473 /nfs/dbraw/zinc/16/34/73/364163473.db2.gz NRUYHJVDWGBFQG-UONOGXRCSA-N 0 0 262.353 1.885 20 10 CDCDRN Cn1ncc(CCC[NH2+]Cc2cccc(Cl)c2[O-])n1 ZINC000293629502 370720826 /nfs/dbraw/zinc/72/08/26/370720826.db2.gz LIOXZWZLGOSUNO-UHFFFAOYSA-N 0 0 280.759 1.897 20 10 CDCDRN CCOc1ccc(N(CC)CC(=O)NCC(=O)OC)cc1 ZINC000269628737 364272351 /nfs/dbraw/zinc/27/23/51/364272351.db2.gz POYNFDDTHXNCGG-UHFFFAOYSA-N 0 0 294.351 1.201 20 10 CDCDRN Cc1nn(C)c(=O)c(C(=O)NCc2ccccc2O)c1C ZINC000271112912 364928271 /nfs/dbraw/zinc/92/82/71/364928271.db2.gz JIQXKCDNHNJYPP-UHFFFAOYSA-N 0 0 287.319 1.033 20 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CDCDRN CCc1nnc([C@H](C)NC(=O)c2ccc(C)c(O)c2O)[nH]1 ZINC000273068733 365469357 /nfs/dbraw/zinc/46/93/57/365469357.db2.gz ZRXXLPIYVKOMED-QMMMGPOBSA-N 0 0 290.323 1.578 20 10 CDCDRN C[C@@H]([NH2+]CC1(C)OCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273347124 365487070 /nfs/dbraw/zinc/48/70/70/365487070.db2.gz AZHXZQLQFZIRPY-SECBINFHSA-N 0 0 282.296 1.714 20 10 CDCDRN O=C(NCc1ccccc1O)C(F)(F)C1(O)CCCC1 ZINC000285302791 368611865 /nfs/dbraw/zinc/61/18/65/368611865.db2.gz OWKZGXVSPJPCDO-UHFFFAOYSA-N 0 0 285.290 1.949 20 10 CDCDRN O=C(c1cccc(O)c1O)N1CCC[C@@](F)(CO)C1 ZINC000286610980 368905905 /nfs/dbraw/zinc/90/59/05/368905905.db2.gz BJLQHEYLBJKQMD-ZDUSSCGKSA-N 0 0 269.272 1.034 20 10 CDCDRN COc1cc(Cl)cc(CN2CCn3cnnc3C2)c1O ZINC000228663040 370380310 /nfs/dbraw/zinc/38/03/10/370380310.db2.gz CELGESIRCDFHLK-UHFFFAOYSA-N 0 0 294.742 1.662 20 10 CDCDRN COc1cc(O)c(CN2CCCN(C)C(=O)C2)cc1OC ZINC000191913665 373552949 /nfs/dbraw/zinc/55/29/49/373552949.db2.gz VKAORFKNUZFPLS-UHFFFAOYSA-N 0 0 294.351 1.074 20 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C[C@H](C[S@@](C)=O)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000182417485 391235359 /nfs/dbraw/zinc/23/53/59/391235359.db2.gz ZQJJCNSAWUAQJS-BIBXISHDSA-N 0 0 297.424 1.319 20 10 CDCDRN Cc1ccc(C(=O)NCC(C)(C)CCO)c(O)c1O ZINC000182811913 391244665 /nfs/dbraw/zinc/24/46/65/391244665.db2.gz INUFEFARCAFWGA-UHFFFAOYSA-N 0 0 267.325 1.545 20 10 CDCDRN CC1(C)CCN(Cc2ccccc2O)CCS1(=O)=O ZINC000195203219 391379302 /nfs/dbraw/zinc/37/93/02/391379302.db2.gz YLKDHSRFNRUTHK-UHFFFAOYSA-N 0 0 283.393 1.791 20 10 CDCDRN COC[C@H](NC(=O)c1ccc(C)c(O)c1O)C1CC1 ZINC000182886397 397968996 /nfs/dbraw/zinc/96/89/96/397968996.db2.gz VMFHPQMYHWHXKG-NSHDSACASA-N 0 0 265.309 1.561 20 10 CDCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@H]2CCCO2)c1 ZINC000035546350 172254190 /nfs/dbraw/zinc/25/41/90/172254190.db2.gz DCDITEXOWJMIRS-LLVKDONJSA-N 0 0 252.270 1.569 20 10 CDCDRN CSc1ccccc1C(=O)N1CCS(=O)(=O)C[C@H]1C ZINC000172572777 261505107 /nfs/dbraw/zinc/50/51/07/261505107.db2.gz VOWPBMAFYJNPTE-SNVBAGLBSA-N 0 0 299.417 1.668 20 10 CDCDRN COC[C@@H](C)N1CCOc2cc(N(C)C)ccc21 ZINC000181134270 261887011 /nfs/dbraw/zinc/88/70/11/261887011.db2.gz MRFBFSIJWKZDSB-LLVKDONJSA-N 0 0 250.342 1.986 20 10 CDCDRN CC(C)C[C@@H](CO)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181259485 261891920 /nfs/dbraw/zinc/89/19/20/261891920.db2.gz HCQZMEIFMJFVIC-FUEXJSSKSA-N 0 0 279.336 1.634 20 10 CDCDRN C[C@@H](O)C[C@H](C)CNC(=O)c1cccc(O)c1O ZINC000187156521 262387371 /nfs/dbraw/zinc/38/73/71/262387371.db2.gz BQZZUFFZUXAHOL-DTWKUNHWSA-N 0 0 253.298 1.235 20 10 CDCDRN CC[C@@H]1NC(=O)N(Cc2ccc(N(C)C)c(F)c2)C1=O ZINC000272568765 263006904 /nfs/dbraw/zinc/00/69/04/263006904.db2.gz ZVGGRYSVKXQFKT-NSHDSACASA-N 0 0 279.315 1.722 20 10 CDCDRN Cc1cncc(/C=C/C(=O)N2CCn3nccc32)c1 ZINC000375583087 267875121 /nfs/dbraw/zinc/87/51/21/267875121.db2.gz PYZPZIREHNTEGC-NSCUHMNNSA-N 0 0 254.293 1.647 20 10 CDCDRN CC[C@H](CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273415834 287876431 /nfs/dbraw/zinc/87/64/31/287876431.db2.gz QWKONFHOOWVLRI-DTWKUNHWSA-N 0 0 254.286 1.722 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O=C(NCc1ccc(O)cc1O)[C@H]1C[C@@]12CCOC2 ZINC000910947868 629126995 /nfs/dbraw/zinc/12/69/95/629126995.db2.gz PWXHVEFXPOEWBQ-BXUZGUMPSA-N 0 0 263.293 1.141 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)O[C@@H]1CCOC1 ZINC000914145584 631062839 /nfs/dbraw/zinc/06/28/39/631062839.db2.gz YSKRDXUTYGWWTB-LLVKDONJSA-N 0 0 251.282 1.750 20 10 CDCDRN C[C@H]1COC[C@@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000915366806 631707922 /nfs/dbraw/zinc/70/79/22/631707922.db2.gz UEDLINHRSCPLSS-GWCFXTLKSA-N 0 0 295.358 1.726 20 10 CDCDRN CN(C(=O)/C=C/c1cccnc1)c1ccc(C(N)=O)cc1 ZINC000917860451 632292389 /nfs/dbraw/zinc/29/23/89/632292389.db2.gz MOKZCXHLDXXECE-RUDMXATFSA-N 0 0 281.315 1.857 20 10 CDCDRN Nc1ccc(CC(=O)N2CCCC(=O)[C@@H](F)C2)cc1 ZINC001157853570 1162468913 /nfs/dbraw/zinc/46/89/13/1162468913.db2.gz GWZXSQXIHFKORL-LBPRGKRZSA-N 0 0 264.300 1.341 20 10 CDCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCOC(=O)N1 ZINC001118847984 1161574654 /nfs/dbraw/zinc/57/46/54/1161574654.db2.gz XJSBQIKFQKNFJR-GFCCVEGCSA-N 0 0 292.335 1.629 20 10 CDCDRN CC[C@](COC)([NH2+]Cc1ccc(N(C)C)cc1)C(=O)[O-] ZINC001605057000 1163435147 /nfs/dbraw/zinc/43/51/47/1163435147.db2.gz RNYXUWPEDKFUNB-OAHLLOKOSA-N 0 0 280.368 1.722 20 10 CDCDRN Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCO[C@H]1C(=O)[O-] ZINC001607667768 1164263222 /nfs/dbraw/zinc/26/32/22/1164263222.db2.gz RZPGNTHOLDDSLS-UKRRQHHQSA-N 0 0 292.379 1.640 20 10 CDCDRN O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCc2cccc(O)c2C1 ZINC001179556874 1164335760 /nfs/dbraw/zinc/33/57/60/1164335760.db2.gz XGUOJDBGMROTSP-JMSVASOKSA-N 0 0 273.332 1.844 20 10 CDCDRN NC(=O)Cc1ccccc1NCc1ccc(O)c(O)c1 ZINC000037124995 1165762364 /nfs/dbraw/zinc/76/23/64/1165762364.db2.gz PZNQHRGDARLUMY-UHFFFAOYSA-N 0 0 272.304 1.738 20 10 CDCDRN Nc1ccc(CNS(=O)(=O)CCc2cccs2)cc1 ZINC001580446584 1172437567 /nfs/dbraw/zinc/43/75/67/1172437567.db2.gz BFOAXUKEDCVOFC-UHFFFAOYSA-N 0 0 296.417 1.992 20 10 CDCDRN CC(C)[C@H](O)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589959849 1173211219 /nfs/dbraw/zinc/21/12/19/1173211219.db2.gz VZLVIDWYGJQTOW-JOYOIKCWSA-N 0 0 291.355 1.240 20 10 CDCDRN C[C@@H](O)CCC[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589998330 1173227545 /nfs/dbraw/zinc/22/75/45/1173227545.db2.gz RKGQXFXBNMKENH-ZJUUUORDSA-N 0 0 291.355 1.384 20 10 CDCDRN Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCO[C@H]1C(=O)[O-] ZINC001600236072 1174419869 /nfs/dbraw/zinc/41/98/69/1174419869.db2.gz JULLCHTVTVOXBH-UONOGXRCSA-N 0 0 278.352 1.393 20 10 CDCDRN [O-]c1c(Cl)cccc1C[N@H+]1CCSC[C@H]1CO ZINC000877780389 1166097848 /nfs/dbraw/zinc/09/78/48/1166097848.db2.gz OWWJUCKLDTWZTE-SNVBAGLBSA-N 0 0 273.785 1.955 20 10 CDCDRN CC(=O)C(=O)COC(=O)C[C@H]1CCc2sccc2C1=O ZINC000885859211 844013865 /nfs/dbraw/zinc/01/38/65/844013865.db2.gz ZVSKBJVQCDFJLR-SECBINFHSA-N 0 0 294.328 1.585 20 10 CDCDRN CN(C)c1cc(F)c(CN2CCCNC(=O)C2)cc1F ZINC000862232711 844032955 /nfs/dbraw/zinc/03/29/55/844032955.db2.gz ADQLGDLBTHHNNE-UHFFFAOYSA-N 0 0 283.322 1.353 20 10 CDCDRN Cc1ccc(C(=O)NCCCO[C@@H]2CCOC2)c(O)c1O ZINC000780967031 844033160 /nfs/dbraw/zinc/03/31/60/844033160.db2.gz OMWMWUHSKORXGG-LLVKDONJSA-N 0 0 295.335 1.332 20 10 CDCDRN Nc1ccc(Cc2nc([C@H]3CC(=O)N(C4CC4)C3)no2)cc1 ZINC000843188682 844061936 /nfs/dbraw/zinc/06/19/36/844061936.db2.gz CKMKARIAVWVONT-NSHDSACASA-N 0 0 298.346 1.721 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)c1ncccc1O ZINC000171258330 844079195 /nfs/dbraw/zinc/07/91/95/844079195.db2.gz XWPJOBKXPCBLKO-UHFFFAOYSA-N 0 0 258.277 1.765 20 10 CDCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCOC2)c1 ZINC000103529160 844110181 /nfs/dbraw/zinc/11/01/81/844110181.db2.gz TXEHFDQBSYKDJI-NXEZZACHSA-N 0 0 265.309 1.615 20 10 CDCDRN Cn1nc(C2CC2)cc1C(=O)NCc1ccc(O)cc1O ZINC000822971261 844113597 /nfs/dbraw/zinc/11/35/97/844113597.db2.gz BGKGVJNTIKKCBN-UHFFFAOYSA-N 0 0 287.319 1.639 20 10 CDCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCc2cn[nH]c2)c1 ZINC000810165767 844153729 /nfs/dbraw/zinc/15/37/29/844153729.db2.gz BQBZBWCSRFSTAB-UHFFFAOYSA-N 0 0 262.269 1.356 20 10 CDCDRN Nc1ccc(OCc2cn([C@H]3CCC[C@@H]3O)nn2)cc1 ZINC000864621571 844245237 /nfs/dbraw/zinc/24/52/37/844245237.db2.gz PVNWUMGXGAGFOY-KBPBESRZSA-N 0 0 274.324 1.525 20 10 CDCDRN COc1cccc(CNC(=O)C[C@@H](C)OC)c1O ZINC000105650751 844376657 /nfs/dbraw/zinc/37/66/57/844376657.db2.gz JXICRSSVFJJTMX-SECBINFHSA-N 0 0 253.298 1.442 20 10 CDCDRN CCn1ncc(CN[C@@H](C)c2cc(OC)ccc2O)n1 ZINC000845971098 844425022 /nfs/dbraw/zinc/42/50/22/844425022.db2.gz HAUXDXLHSLGNNL-JTQLQIEISA-N 0 0 276.340 1.863 20 10 CDCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccc(=O)[nH]c1 ZINC000193987500 844437963 /nfs/dbraw/zinc/43/79/63/844437963.db2.gz VQLRVYUWDYCVAA-UHFFFAOYSA-N 0 0 274.276 1.171 20 10 CDCDRN Cc1cc(CNC(=O)N[C@H](C)c2ccccc2O)[nH]n1 ZINC000868289505 844488972 /nfs/dbraw/zinc/48/89/72/844488972.db2.gz FXIFNOZXXRKBDF-SNVBAGLBSA-N 0 0 274.324 1.984 20 10 CDCDRN O=C(NC[C@H](O)c1ccccc1F)c1cccc(O)c1O ZINC000187161447 844493786 /nfs/dbraw/zinc/49/37/86/844493786.db2.gz XRFHCFCIOGKFGG-ZDUSSCGKSA-N 0 0 291.278 1.700 20 10 CDCDRN C[C@H]([NH2+]C[C@@H]1COCCN1)c1cc(F)cc(F)c1[O-] ZINC000863544676 844495389 /nfs/dbraw/zinc/49/53/89/844495389.db2.gz BEENQJCWRIRBDK-WCBMZHEXSA-N 0 0 272.295 1.309 20 10 CDCDRN Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1O ZINC000779537932 844519652 /nfs/dbraw/zinc/51/96/52/844519652.db2.gz SOLIFGJAHVVFRW-UHFFFAOYSA-N 0 0 287.275 1.813 20 10 CDCDRN COC(=O)[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@H]1C ZINC000295158480 844626256 /nfs/dbraw/zinc/62/62/56/844626256.db2.gz MVUILUNMPMTBCM-HTQZYQBOSA-N 0 0 297.282 1.118 20 10 CDCDRN O=C(C[C@H]1CCC(=O)N1)NCCCSc1nccs1 ZINC000827474670 844626409 /nfs/dbraw/zinc/62/64/09/844626409.db2.gz IWPUTJXLCIFMRB-SECBINFHSA-N 0 0 299.421 1.410 20 10 CDCDRN CC(=O)c1cc(F)cc(CN2CCC[C@H]2C(N)=O)c1O ZINC000050133232 844633427 /nfs/dbraw/zinc/63/34/27/844633427.db2.gz KAJMDIOVRKDAGP-LBPRGKRZSA-N 0 0 280.299 1.184 20 10 CDCDRN O=C1NCCC[C@H]1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000839195277 843113304 /nfs/dbraw/zinc/11/33/04/843113304.db2.gz FTMCRDFSTBVLMQ-QMMMGPOBSA-N 0 0 286.734 1.801 20 10 CDCDRN COC[C@@H](C)[C@H](C)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000812627223 843286898 /nfs/dbraw/zinc/28/68/98/843286898.db2.gz RUJSIWKLNLKSLC-ZJUUUORDSA-N 0 0 296.319 1.742 20 10 CDCDRN CC(=O)NCC(C)(C)C(=O)NCc1cc(Cl)ccc1O ZINC000846476780 843338247 /nfs/dbraw/zinc/33/82/47/843338247.db2.gz OTPORAIIARTCSJ-UHFFFAOYSA-N 0 0 298.770 1.824 20 10 CDCDRN C[C@@H](NC(=O)c1ncc[nH]1)c1ccc(N(C)C)cc1 ZINC000832432034 843428444 /nfs/dbraw/zinc/42/84/44/843428444.db2.gz YLODNBWGFDXVBZ-SNVBAGLBSA-N 0 0 258.325 1.967 20 10 CDCDRN COc1ccc(N(C)CC(=O)Nc2nncs2)cc1 ZINC000844352957 843472216 /nfs/dbraw/zinc/47/22/16/843472216.db2.gz LDPJJFCZTOMDHP-UHFFFAOYSA-N 0 0 278.337 1.622 20 10 CDCDRN CC[C@H](CO)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000779618583 843531311 /nfs/dbraw/zinc/53/13/11/843531311.db2.gz KGIZSKXUMPNBBM-CYBMUJFWSA-N 0 0 276.380 1.704 20 10 CDCDRN O=C(NCCc1ccc(O)c(O)c1)C1CC2(CC2)C1 ZINC000830531663 843554858 /nfs/dbraw/zinc/55/48/58/843554858.db2.gz MHPUSSRMUMTYHX-UHFFFAOYSA-N 0 0 261.321 1.947 20 10 CDCDRN C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000841011005 843595706 /nfs/dbraw/zinc/59/57/06/843595706.db2.gz ZNCBILLAPXDNLK-JTQLQIEISA-N 0 0 261.325 1.466 20 10 CDCDRN CNc1ccc(C(=O)NCc2ccc(OC)cc2O)cn1 ZINC000803291833 843637390 /nfs/dbraw/zinc/63/73/90/843637390.db2.gz DFBXYXFOKKTNAY-UHFFFAOYSA-N 0 0 287.319 1.768 20 10 CDCDRN COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1ccc(C)cc1O ZINC000877165844 843755853 /nfs/dbraw/zinc/75/58/53/843755853.db2.gz ROWLXCLNPJEOMP-KBPBESRZSA-N 0 0 293.363 1.853 20 10 CDCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H](O)C(C)C)cc1 ZINC000846442169 843819216 /nfs/dbraw/zinc/81/92/16/843819216.db2.gz KXOVEICCTXCTDD-OAHLLOKOSA-N 0 0 294.395 1.607 20 10 CDCDRN COc1ccc(O)c(CNC(=O)NOC/C=C\Cl)c1 ZINC000812043788 843828097 /nfs/dbraw/zinc/82/80/97/843828097.db2.gz PYZSZAYTMQIELY-DJWKRKHSSA-N 0 0 286.715 1.884 20 10 CDCDRN CCc1cccc(CN2CCO[C@@H](C(=O)OC)C2)c1O ZINC000848886767 843841431 /nfs/dbraw/zinc/84/14/31/843841431.db2.gz WHUIKJAWEWBCPU-CYBMUJFWSA-N 0 0 279.336 1.328 20 10 CDCDRN COc1cccc(O)c1C[NH2+]CCS(=O)(=O)C(C)C 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ZINC000841506461 844834878 /nfs/dbraw/zinc/83/48/78/844834878.db2.gz XHZTWEWICXVTFQ-LBPRGKRZSA-N 0 0 287.367 1.396 20 10 CDCDRN CO[C@H]1COCC[C@@H]1N(C)C(=O)C1=CC(=O)CS1 ZINC000882365593 844907976 /nfs/dbraw/zinc/90/79/76/844907976.db2.gz CEBITBQJPOWSOF-UWVGGRQHSA-N 0 0 271.338 1.330 20 10 CDCDRN CCOc1cccc(C[NH2+][C@H]2C[C@H](C(=O)[O-])C2)c1O ZINC000874053389 844925512 /nfs/dbraw/zinc/92/55/12/844925512.db2.gz HTPNFGMCYXTCGW-XYPYZODXSA-N 0 0 265.309 1.744 20 10 CDCDRN O=C(/C=C\c1ccc(O)c(O)c1)N(CCCO)C1CC1 ZINC000779541469 844936252 /nfs/dbraw/zinc/93/62/52/844936252.db2.gz YSUPTGABJLQMEN-CLTKARDFSA-N 0 0 277.320 1.484 20 10 CDCDRN CN(C)c1ccc(CN2CC[C@](F)(CO)C2)cc1F ZINC000802661975 844956695 /nfs/dbraw/zinc/95/66/95/844956695.db2.gz ZBIRLYKUPUKLIL-CQSZACIVSA-N 0 0 270.323 1.798 20 10 CDCDRN Oc1cc(Br)ccc1CN1CCOCC1 ZINC000257870301 844956744 /nfs/dbraw/zinc/95/67/44/844956744.db2.gz AKFVMEPRPUZGJW-UHFFFAOYSA-N 0 0 272.142 1.987 20 10 CDCDRN COC(=O)CN1CCCc2cc(OC)cc(OC)c21 ZINC000839654700 845001477 /nfs/dbraw/zinc/00/14/77/845001477.db2.gz PHUZJKIPJXGSRA-UHFFFAOYSA-N 0 0 265.309 1.629 20 10 CDCDRN COc1cc(CN2CCO[C@H](C)C2)c(O)cc1C ZINC000179435224 845025059 /nfs/dbraw/zinc/02/50/59/845025059.db2.gz MTKVUAXAZATRSY-LLVKDONJSA-N 0 0 251.326 1.930 20 10 CDCDRN CCc1noc(NC(=O)NCCc2ccc(N)cc2)n1 ZINC000841250828 845062088 /nfs/dbraw/zinc/06/20/88/845062088.db2.gz IQHNJMDLAVNYAC-UHFFFAOYSA-N 0 0 275.312 1.578 20 10 CDCDRN COC(=O)[C@H]1CCN(C(=O)c2cccc(O)c2O)[C@H]1C ZINC000787499844 845191747 /nfs/dbraw/zinc/19/17/47/845191747.db2.gz AZWUZMMEODKNCX-IUCAKERBSA-N 0 0 279.292 1.121 20 10 CDCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H](CCCO)C1 ZINC000837190591 845194978 /nfs/dbraw/zinc/19/49/78/845194978.db2.gz CPJSVKRFTLWKLL-BPJJOFIESA-N 0 0 291.347 1.732 20 10 CDCDRN Cc1ccc(C(=O)NCC2SCCS2)c(O)c1O ZINC000856162134 845217113 /nfs/dbraw/zinc/21/71/13/845217113.db2.gz NOAQHGACOHYFJJ-UHFFFAOYSA-N 0 0 285.390 1.942 20 10 CDCDRN C[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1c([O-])cccc1F ZINC000886526184 845283497 /nfs/dbraw/zinc/28/34/97/845283497.db2.gz HBRYVJHUBYWIEA-VXGBXAGGSA-N 0 0 281.375 1.428 20 10 CDCDRN C[C@H](CO)C1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000846661603 845300242 /nfs/dbraw/zinc/30/02/42/845300242.db2.gz VPXCOBNDUBZWIB-SECBINFHSA-N 0 0 269.366 1.934 20 10 CDCDRN CCCC[N@H+](C)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846232102 845322124 /nfs/dbraw/zinc/32/21/24/845322124.db2.gz SRKRQYANSAMKCW-UHFFFAOYSA-N 0 0 278.312 1.365 20 10 CDCDRN C[C@@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000876555736 845363030 /nfs/dbraw/zinc/36/30/30/845363030.db2.gz FFSTZHBEHDXLPC-CQSZACIVSA-N 0 0 290.407 1.868 20 10 CDCDRN O=C(NCc1ccccc1O)c1cccc(O)c1O ZINC000126577970 845414823 /nfs/dbraw/zinc/41/48/23/845414823.db2.gz LEYZVBWPFGWKFF-UHFFFAOYSA-N 0 0 259.261 1.733 20 10 CDCDRN Cc1noc([C@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)n1 ZINC000779506651 845443164 /nfs/dbraw/zinc/44/31/64/845443164.db2.gz RLYMDNWGASLYIW-JQTRYQTASA-N 0 0 289.291 1.680 20 10 CDCDRN C[C@H]1SCC[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000379870639 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ZINC000862756941 845596943 /nfs/dbraw/zinc/59/69/43/845596943.db2.gz BDUFQFWLGKENQH-NWDGAFQWSA-N 0 0 290.363 1.609 20 10 CDCDRN O=C(NCc1ccccc1O)c1ccc2n[nH]nc2c1 ZINC000701121211 845622314 /nfs/dbraw/zinc/62/23/14/845622314.db2.gz DJFDIZKNAVXXLA-UHFFFAOYSA-N 0 0 268.276 1.594 20 10 CDCDRN O=C(NCCc1cn2ccccc2n1)c1cccc(O)c1O ZINC000186840123 845713425 /nfs/dbraw/zinc/71/34/25/845713425.db2.gz XCCPXJSVXYYDDC-UHFFFAOYSA-N 0 0 297.314 1.718 20 10 CDCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCC[C@H]2O)c1 ZINC000834915527 845748209 /nfs/dbraw/zinc/74/82/09/845748209.db2.gz RCMJUSBJACZJEE-GAJTVXKRSA-N 0 0 279.336 1.743 20 10 CDCDRN CCc1cc(CNC(=O)C=Cc2ccc(O)c(O)c2)[nH]n1 ZINC000779516756 845758251 /nfs/dbraw/zinc/75/82/51/845758251.db2.gz HUMOSMGOLRUSIG-XQRVVYSFSA-N 0 0 287.319 1.713 20 10 CDCDRN COc1ccc(O)c(CNC(=O)CCc2cncn2C)c1 ZINC000790070914 845765071 /nfs/dbraw/zinc/76/50/71/845765071.db2.gz LMTUXKXCZOEKMY-UHFFFAOYSA-N 0 0 289.335 1.383 20 10 CDCDRN 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ZINC000282852931 368068172 /nfs/dbraw/zinc/06/81/72/368068172.db2.gz TXHZBIMRGGZIFM-UHFFFAOYSA-N 0 0 289.335 1.848 20 10 CDCDRN Cc1c(/C=C/C(=O)N(C)c2ccccn2)cnn1C ZINC000130458911 368833654 /nfs/dbraw/zinc/83/36/54/368833654.db2.gz UTNLPPATLIDALT-BQYQJAHWSA-N 0 0 256.309 1.800 20 10 CDCDRN CCC[C@@H](OC)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000295683061 371403908 /nfs/dbraw/zinc/40/39/08/371403908.db2.gz HKAKLDLRNNKCPT-QMTHXVAHSA-N 0 0 281.352 1.960 20 10 CDCDRN CC1(O)CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000126494201 375003727 /nfs/dbraw/zinc/00/37/27/375003727.db2.gz VBIASTZYJXNIGY-UHFFFAOYSA-N 0 0 251.282 1.085 20 10 CDCDRN Cc1nnc([C@@H](C)NC(=O)c2cccc(O)c2O)[nH]1 ZINC000286279418 377879420 /nfs/dbraw/zinc/87/94/20/377879420.db2.gz GTNRUNBVRHURQX-ZCFIWIBFSA-N 0 0 262.269 1.015 20 10 CDCDRN CC1(C)CCC[C@]1(O)CNC(=O)c1c(F)ccc(O)c1O ZINC000295229015 378663536 /nfs/dbraw/zinc/66/35/36/378663536.db2.gz CFJOKIGWUJQTQS-HNNXBMFYSA-N 0 0 297.326 1.908 20 10 CDCDRN O=C(NCCC1(O)CCC1)c1c(F)ccc(O)c1O ZINC000295996750 378706761 /nfs/dbraw/zinc/70/67/61/378706761.db2.gz LWQYZRNJSKUOAI-UHFFFAOYSA-N 0 0 269.272 1.272 20 10 CDCDRN CC(C)[N@H+](CC(N)=O)Cc1cccc(Cl)c1[O-] ZINC000124514760 390915171 /nfs/dbraw/zinc/91/51/71/390915171.db2.gz NZCOGHHNTXMTHS-UHFFFAOYSA-N 0 0 256.733 1.741 20 10 CDCDRN CC1(NC(=O)c2cccc(O)c2O)CCOCC1 ZINC000126553725 390921165 /nfs/dbraw/zinc/92/11/65/390921165.db2.gz PTOZAILEYYWGCW-UHFFFAOYSA-N 0 0 251.282 1.397 20 10 CDCDRN CCCNC(=O)CN(C)c1ccc(OC)cc1OC ZINC000132079059 390930889 /nfs/dbraw/zinc/93/08/89/390930889.db2.gz YMNBUDWUPUTWBN-UHFFFAOYSA-N 0 0 266.341 1.666 20 10 CDCDRN O=C(c1cccc(O)c1O)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000376231964 391218850 /nfs/dbraw/zinc/21/88/50/391218850.db2.gz UBXSTVABHHRFMW-DGCLKSJQSA-N 0 0 293.319 1.118 20 10 CDCDRN CCCCCN1CC(=O)N[C@H]1c1cc2c(cc1O)OCO2 ZINC000182333806 391233935 /nfs/dbraw/zinc/23/39/35/391233935.db2.gz BPQUQFAUWULELZ-OAHLLOKOSA-N 0 0 292.335 1.742 20 10 CDCDRN Cc1cc(Cl)cc(CN2CCNC(=O)C2)c1O ZINC000179561880 391210804 /nfs/dbraw/zinc/21/08/04/391210804.db2.gz FSDJJRZLQVCZOW-UHFFFAOYSA-N 0 0 254.717 1.286 20 10 CDCDRN CC(=O)CSCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000195393315 391382192 /nfs/dbraw/zinc/38/21/92/391382192.db2.gz XMMACHMEOSKIHO-UHFFFAOYSA-N 0 0 298.383 1.830 20 10 CDCDRN C[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000278662689 391383710 /nfs/dbraw/zinc/38/37/10/391383710.db2.gz FMYFATXIMGGTFS-PKFCDNJMSA-N 0 0 296.323 1.491 20 10 CDCDRN COc1ncc(/C=C\C(=O)N2CCc3ccncc32)cn1 ZINC000492692469 392603776 /nfs/dbraw/zinc/60/37/76/392603776.db2.gz YVQRJBIYQWFCFW-IHWYPQMZSA-N 0 0 282.303 1.483 20 10 CDCDRN CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000276145051 285575533 /nfs/dbraw/zinc/57/55/33/285575533.db2.gz CXVJVJNPRVKORC-YUMQZZPRSA-N 0 0 272.295 1.846 20 10 CDCDRN COC(=O)C1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000040222743 174207560 /nfs/dbraw/zinc/20/75/60/174207560.db2.gz WGDLXBOGNUAFCJ-UHFFFAOYSA-N 0 0 276.336 1.223 20 10 CDCDRN CCO[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000042408136 174713151 /nfs/dbraw/zinc/71/31/51/174713151.db2.gz WDTSUPTUFQTSRA-AWEZNQCLSA-N 0 0 262.353 1.839 20 10 CDCDRN O=C(N[C@H]1CCCC[C@@H]1O)c1cccc(O)c1O ZINC000126382122 260349706 /nfs/dbraw/zinc/34/97/06/260349706.db2.gz YNZQVYNKTDSVIN-UWVGGRQHSA-N 0 0 251.282 1.131 20 10 CDCDRN CC(C)CC(=O)NCCC(=O)NCCc1ccc(N)cc1 ZINC000152486125 261064772 /nfs/dbraw/zinc/06/47/72/261064772.db2.gz ZJYAKSHWWCCKEU-UHFFFAOYSA-N 0 0 291.395 1.480 20 10 CDCDRN CC[C@H](CCO)CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000153794809 261082652 /nfs/dbraw/zinc/08/26/52/261082652.db2.gz ORZJRUCYUFWHDI-CYBMUJFWSA-N 0 0 293.411 1.960 20 10 CDCDRN C[C@@H](CCCO)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589821884 1173187467 /nfs/dbraw/zinc/18/74/67/1173187467.db2.gz YTRZJMQZHGQANS-UWVGGRQHSA-N 0 0 291.355 1.384 20 10 CDCDRN Cn1cc(C(=O)NCc2c(O)ccc3c2CCCC3)cn1 ZINC000174514702 261574878 /nfs/dbraw/zinc/57/48/78/261574878.db2.gz KGSHGIQAZVLJBD-UHFFFAOYSA-N 0 0 285.347 1.935 20 10 CDCDRN C[C@H](C[S@](C)=O)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000182417446 261937319 /nfs/dbraw/zinc/93/73/19/261937319.db2.gz ZQJJCNSAWUAQJS-GIPWTMENSA-N 0 0 297.424 1.319 20 10 CDCDRN COc1cc(Cl)cc(CN2CCNC(=O)C2(C)C)c1O ZINC000184688688 262026126 /nfs/dbraw/zinc/02/61/26/262026126.db2.gz HSSWCOJKODALND-UHFFFAOYSA-N 0 0 298.770 1.765 20 10 CDCDRN O=C(c1cccc(O)c1O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000363926644 262036415 /nfs/dbraw/zinc/03/64/15/262036415.db2.gz KHIGWCBZEZBHBZ-QWHCGFSZSA-N 0 0 293.319 1.118 20 10 CDCDRN C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccc(F)cc1[O-] ZINC000186088455 262078971 /nfs/dbraw/zinc/07/89/71/262078971.db2.gz HBJGEBBCUWHCNW-MWLCHTKSSA-N 0 0 278.327 1.945 20 10 CDCDRN CN(C)c1ccc(CNC(=O)N[C@H]2C[C@H](O)C2(C)C)cc1 ZINC000186964475 262118186 /nfs/dbraw/zinc/11/81/86/262118186.db2.gz YHTNTVMNBZQJOW-KBPBESRZSA-N 0 0 291.395 1.711 20 10 CDCDRN COc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(O)CCOC2)c1 ZINC000186177774 262312060 /nfs/dbraw/zinc/31/20/60/262312060.db2.gz ATWKGEOUAKYOKA-YGRLFVJLSA-N 0 0 267.325 1.203 20 10 CDCDRN COc1c([O-])c(C[NH2+]C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000278570097 263049122 /nfs/dbraw/zinc/04/91/22/263049122.db2.gz CRGKNLFTNLUKSV-UHFFFAOYSA-N 0 0 295.339 1.493 20 10 CDCDRN Cc1nn(C)c(C)c1C(=O)C(=O)NCc1ccccc1O ZINC000299553665 263246813 /nfs/dbraw/zinc/24/68/13/263246813.db2.gz LVZRKBQYMLXZMJ-UHFFFAOYSA-N 0 0 287.319 1.242 20 10 CDCDRN CC[C@H]1CN(C(=O)c2cccc(O)c2O)CCO1 ZINC000126260656 264202195 /nfs/dbraw/zinc/20/21/95/264202195.db2.gz LVZBTXILYDPCIW-VIFPVBQESA-N 0 0 251.282 1.349 20 10 CDCDRN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C)[C@H]2CO)c1O ZINC000189698624 264322723 /nfs/dbraw/zinc/32/27/23/264322723.db2.gz ZUWQIEYDXDXMCR-LKFCYVNXSA-N 0 0 281.327 1.937 20 10 CDCDRN CN(C)c1ccc([C@H]2NC(=O)[C@@H]3CSCCN32)cc1 ZINC000270795186 289411515 /nfs/dbraw/zinc/41/15/15/289411515.db2.gz MPVPCRHKUSDYKO-STQMWFEESA-N 0 0 277.393 1.298 20 10 CDCDRN O=C(C=Cc1ccc(O)c(O)c1)N[C@@H]1CCc2n[nH]cc2C1 ZINC000181083398 329225737 /nfs/dbraw/zinc/22/57/37/329225737.db2.gz KKOWAWKHQOYCHX-RDNKVPPGSA-N 0 0 299.330 1.508 20 10 CDCDRN COc1ccc(O)c([C@H](C)NC(=O)c2nncs2)c1 ZINC000530184461 333527486 /nfs/dbraw/zinc/52/74/86/333527486.db2.gz LIWYJQAMZMMWJH-ZETCQYMHSA-N 0 0 279.321 1.743 20 10 CDCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CN2CCC[C@H]2CO1 ZINC000252738626 334388354 /nfs/dbraw/zinc/38/83/54/334388354.db2.gz FONGDJPMYXISOB-STQMWFEESA-N 0 0 296.798 1.998 20 10 CDCDRN CN(C(=O)CO[C@H]1CCOC1)c1ccc(N)cc1 ZINC000110525076 1159569983 /nfs/dbraw/zinc/56/99/83/1159569983.db2.gz OUCLLBBBMYXILR-LBPRGKRZSA-N 0 0 250.298 1.037 20 10 CDCDRN CN1C(=O)COCC12CN(Cc1cc(Cl)ccc1O)C2 ZINC001272637012 1161169536 /nfs/dbraw/zinc/16/95/36/1161169536.db2.gz JIAUAAWDZMOVOT-UHFFFAOYSA-N 0 0 296.754 1.089 20 10 CDCDRN CC(C)N1C[C@H](NC(=O)NCc2ccccc2O)CC1=O ZINC000267766060 519697303 /nfs/dbraw/zinc/69/73/03/519697303.db2.gz WZZNHXPTXJFXGG-GFCCVEGCSA-N 0 0 291.351 1.201 20 10 CDCDRN CC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H]1O ZINC000279121989 520415432 /nfs/dbraw/zinc/41/54/32/520415432.db2.gz AHJXWWZDMHCFGY-DIECRNLCSA-N 0 0 277.320 1.340 20 10 CDCDRN CCOc1ccc(N(CC)CCNS(C)(=O)=O)cc1 ZINC000264500772 521025733 /nfs/dbraw/zinc/02/57/33/521025733.db2.gz IHXRSZDXJSOKNJ-UHFFFAOYSA-N 0 0 286.397 1.461 20 10 CDCDRN CCOC(=O)[C@@H](NC(=O)c1cccc(O)c1O)[C@H](C)CC ZINC000279361973 521079443 /nfs/dbraw/zinc/07/94/43/521079443.db2.gz SUOVJPCQXYYWPI-SKDRFNHKSA-N 0 0 295.335 1.805 20 10 CDCDRN COc1c([O-])c(C[NH2+]C2(C)CCOCC2)ccc1[N+](=O)[O-] ZINC000278110433 521873705 /nfs/dbraw/zinc/87/37/05/521873705.db2.gz BJRBAQZTBCELLV-UHFFFAOYSA-N 0 0 296.323 1.968 20 10 CDCDRN COc1c([O-])c(C[NH2+][C@@H]2C[C@H](O)C2(C)C)ccc1[N+](=O)[O-] ZINC000278388516 521878058 /nfs/dbraw/zinc/87/80/58/521878058.db2.gz MQKJSYQOIZZDNU-MNOVXSKESA-N 0 0 296.323 1.558 20 10 CDCDRN CC[C@@H](C(=O)OC)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000276606425 521887305 /nfs/dbraw/zinc/88/73/05/521887305.db2.gz IXSIISVETIRGQE-CQSZACIVSA-N 0 0 292.379 1.910 20 10 CDCDRN CN(C)c1ccc(CNC(=O)NCC(C)(C)O)cc1F ZINC000108567754 522193352 /nfs/dbraw/zinc/19/33/52/522193352.db2.gz BCVDEUAIDFBODQ-UHFFFAOYSA-N 0 0 283.347 1.462 20 10 CDCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCCO2)cc1F ZINC000069913596 522199120 /nfs/dbraw/zinc/19/91/20/522199120.db2.gz YOVSTZINAMQGIJ-ZDUSSCGKSA-N 0 0 266.316 1.687 20 10 CDCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CSCN2)cc1 ZINC000040825788 522200979 /nfs/dbraw/zinc/20/09/79/522200979.db2.gz MUHACIUUBNODRW-LBPRGKRZSA-N 0 0 265.382 1.031 20 10 CDCDRN COCCC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000364104285 522945123 /nfs/dbraw/zinc/94/51/23/522945123.db2.gz RNFXCJDVELTKDM-UHFFFAOYSA-N 0 0 292.379 1.770 20 10 CDCDRN CN(C[C@H]1CCCCO1)C(=O)Cc1ccc(N)cc1 ZINC000048946525 523106708 /nfs/dbraw/zinc/10/67/08/523106708.db2.gz WFXDCLYYNAWIEU-CQSZACIVSA-N 0 0 262.353 1.839 20 10 CDCDRN COC(=O)[C@@H](NCc1cc(F)ccc1O)C1CC1 ZINC000276408567 523633332 /nfs/dbraw/zinc/63/33/32/523633332.db2.gz FCCOFYAVJXQRDN-LBPRGKRZSA-N 0 0 253.273 1.573 20 10 CDCDRN CN1CCCc2cc(CNC(=O)CCCC(N)=O)ccc21 ZINC000274999340 523860467 /nfs/dbraw/zinc/86/04/67/523860467.db2.gz UKDSCDUKPHHJLF-UHFFFAOYSA-N 0 0 289.379 1.341 20 10 CDCDRN CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1c(F)ccc(O)c1O ZINC000276619235 523992594 /nfs/dbraw/zinc/99/25/94/523992594.db2.gz QRTAUUFUUDMADK-YUMQZZPRSA-N 0 0 298.314 1.270 20 10 CDCDRN CO[C@H]1COC[C@@H]1[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000290045367 524009891 /nfs/dbraw/zinc/00/98/91/524009891.db2.gz DTFGUXGWQDZLED-WLTAIBSBSA-N 0 0 255.289 1.596 20 10 CDCDRN COc1ccc(N2CCN(C(=O)c3cncnc3)CC2)cc1 ZINC000082320251 524421339 /nfs/dbraw/zinc/42/13/39/524421339.db2.gz GDIBCAUYWPWWFA-UHFFFAOYSA-N 0 0 298.346 1.448 20 10 CDCDRN C[C@H](C[S@@](C)=O)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000274322071 524657069 /nfs/dbraw/zinc/65/70/69/524657069.db2.gz AUJGQQJWKOADPH-NORUPOMZSA-N 0 0 297.376 1.336 20 10 CDCDRN C[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@H](C)O1 ZINC000126192222 524872828 /nfs/dbraw/zinc/87/28/28/524872828.db2.gz RATKMQFSSPCLFE-DTORHVGOSA-N 0 0 251.282 1.347 20 10 CDCDRN CS(=O)(=O)C1(C[NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000279871482 525099869 /nfs/dbraw/zinc/09/98/69/525099869.db2.gz TYQJJHUVJGGONP-UHFFFAOYSA-N 0 0 289.784 1.712 20 10 CDCDRN Cc1ccc(O)c(CN2CC(=O)N(CC3CC3)C2)c1 ZINC000279428562 525338684 /nfs/dbraw/zinc/33/86/84/525338684.db2.gz NVSAXTLUIIRCJJ-UHFFFAOYSA-N 0 0 260.337 1.712 20 10 CDCDRN Cc1nc[nH]c1CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000278770141 525461271 /nfs/dbraw/zinc/46/12/71/525461271.db2.gz GQWYODJAMHOCTF-UHFFFAOYSA-N 0 0 298.390 1.959 20 10 CDCDRN C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1[O-] ZINC000062747895 525503865 /nfs/dbraw/zinc/50/38/65/525503865.db2.gz IRORQYXCKDAXTK-NXEZZACHSA-N 0 0 287.356 1.617 20 10 CDCDRN CSCCONC(=O)NCc1ccccc1O ZINC000280873131 525517997 /nfs/dbraw/zinc/51/79/97/525517997.db2.gz MUKKCFHCYVCSCC-UHFFFAOYSA-N 0 0 256.327 1.486 20 10 CDCDRN C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)c1cccc(O)c1O ZINC000279390598 525696426 /nfs/dbraw/zinc/69/64/26/525696426.db2.gz VUSKIZBCAPQFRC-MGOSUKFUSA-N 0 0 283.349 1.079 20 10 CDCDRN C[C@@]1(CNC(=O)Cc2ccc(N)cc2)CCCC[C@H]1O ZINC000237530240 525835447 /nfs/dbraw/zinc/83/54/47/525835447.db2.gz LVSVOYGOXZQIBS-ZBFHGGJFSA-N 0 0 276.380 1.869 20 10 CDCDRN COc1cccc(CNC(=O)c2cc(C3CC3)n[nH]2)c1O ZINC000068489163 526003439 /nfs/dbraw/zinc/00/34/39/526003439.db2.gz OGIFYYKGCNPIDR-UHFFFAOYSA-N 0 0 287.319 1.931 20 10 CDCDRN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CC1(F)F ZINC000295517934 526409051 /nfs/dbraw/zinc/40/90/51/526409051.db2.gz RTYIQAYFGDQGPS-QMMMGPOBSA-N 0 0 257.236 1.412 20 10 CDCDRN O=C(NCc1ccccc1O)NC1CC(F)(F)C1 ZINC000277017230 526754461 /nfs/dbraw/zinc/75/44/61/526754461.db2.gz MFBDQMGMTYLCDY-UHFFFAOYSA-N 0 0 256.252 1.989 20 10 CDCDRN COc1ccc2c(c1)CCCN2CCn1cncn1 ZINC000727119294 574552166 /nfs/dbraw/zinc/55/21/66/574552166.db2.gz XONVUGZBVKRYSH-UHFFFAOYSA-N 0 0 258.325 1.740 20 10 CDCDRN C[C@@H]1CN(CCCNC(=O)C2=CC(=O)CS2)C[C@H](C)O1 ZINC000731867710 575068639 /nfs/dbraw/zinc/06/86/39/575068639.db2.gz QPFHIVFOMXEXCM-PHIMTYICSA-N 0 0 298.408 1.683 20 10 CDCDRN Cc1cc(NC(=O)COC(=O)C2=CC(=O)CS2)n(C)n1 ZINC000731909122 575069916 /nfs/dbraw/zinc/06/99/16/575069916.db2.gz ALNURKDKGNVDDD-UHFFFAOYSA-N 0 0 295.320 1.291 20 10 CDCDRN NC(=O)COc1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC000732265897 575084726 /nfs/dbraw/zinc/08/47/26/575084726.db2.gz LFFJTBFMLJKQAX-UHFFFAOYSA-N 0 0 292.316 1.570 20 10 CDCDRN O=C(C1=CC(=O)CS1)N1CCCC[C@H]1C1OCCO1 ZINC000732281716 575086664 /nfs/dbraw/zinc/08/66/64/575086664.db2.gz AJCBCTUSCOAKKO-JTQLQIEISA-N 0 0 283.349 1.821 20 10 CDCDRN COc1ccc(O)c(CNC(=S)NC2CCOCC2)c1 ZINC000733906554 575143320 /nfs/dbraw/zinc/14/33/20/575143320.db2.gz MUWQHTKIQZFXSB-UHFFFAOYSA-N 0 0 296.392 1.544 20 10 CDCDRN Cc1nnccc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000762263355 576635689 /nfs/dbraw/zinc/63/56/89/576635689.db2.gz FRFXFORIWDTBNK-UHFFFAOYSA-N 0 0 273.292 1.169 20 10 CDCDRN CCC[C@@H]1C(=O)NCCN1Cc1c(O)cccc1OC ZINC000769516939 575355066 /nfs/dbraw/zinc/35/50/66/575355066.db2.gz VRSQYRVWCRHPBV-GFCCVEGCSA-N 0 0 278.352 1.501 20 10 CDCDRN CCOC(=O)CN(CCOC)Cc1ccccc1O ZINC000770508702 575455524 /nfs/dbraw/zinc/45/55/24/575455524.db2.gz FISBHHNNOKMZMJ-UHFFFAOYSA-N 0 0 267.325 1.404 20 10 CDCDRN COC(=O)C[C@@H](NC(=O)c1ccc(C)c(O)c1O)C1CC1 ZINC000770506455 575457608 /nfs/dbraw/zinc/45/76/08/575457608.db2.gz SHCPCBBYQIIELE-LLVKDONJSA-N 0 0 293.319 1.478 20 10 CDCDRN CN(C)c1ccc(CNC(=O)[C@H](O)C(C)(C)C)cc1F ZINC000735856258 575521186 /nfs/dbraw/zinc/52/11/86/575521186.db2.gz VDJCTZZBAJNVPI-ZDUSSCGKSA-N 0 0 282.359 1.915 20 10 CDCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)NC2CC2)c1 ZINC000772722194 575743552 /nfs/dbraw/zinc/74/35/52/575743552.db2.gz DVHDFLJPGROZRG-MRVPVSSYSA-N 0 0 286.353 1.048 20 10 CDCDRN C[C@H](NC(=O)c1ccc(=O)n(C)c1)c1ccc(N(C)C)cc1 ZINC000773018893 575774605 /nfs/dbraw/zinc/77/46/05/575774605.db2.gz JDNRPCPROLEARQ-LBPRGKRZSA-N 0 0 299.374 1.942 20 10 CDCDRN CC(=O)NCCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773611744 575830038 /nfs/dbraw/zinc/83/00/38/575830038.db2.gz KBIRFRLKOHBTDU-NSHDSACASA-N 0 0 292.383 1.249 20 10 CDCDRN COC[C@H](C)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000773767810 575838335 /nfs/dbraw/zinc/83/83/35/575838335.db2.gz PWCWNZQQJPZDJR-GHMZBOCLSA-N 0 0 281.352 1.818 20 10 CDCDRN Cn1cncc1CCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000773830909 575840155 /nfs/dbraw/zinc/84/01/55/575840155.db2.gz PKFVKEZAIBAMEZ-HYXAFXHYSA-N 0 0 287.319 1.203 20 10 CDCDRN Cc1[nH]c(C=O)cc1C(=O)NCc1ccccc1O ZINC000774066942 575850454 /nfs/dbraw/zinc/85/04/54/575850454.db2.gz VPNUGQKQYODUBT-UHFFFAOYSA-N 0 0 258.277 1.771 20 10 CDCDRN CC[C@@H](CCO)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756604265 575921114 /nfs/dbraw/zinc/92/11/14/575921114.db2.gz MLEGRBCZAMLGSD-PWSUYJOCSA-N 0 0 281.352 1.990 20 10 CDCDRN COC(=O)[C@H](CC(F)(F)F)NC(=O)C1=CC(=O)CS1 ZINC000765864013 576061443 /nfs/dbraw/zinc/06/14/43/576061443.db2.gz GBVAHWJVIATHIE-LURJTMIESA-N 0 0 297.254 1.678 20 10 CDCDRN CC(C)[C@H]1CN(C)CCN1C(=O)C1=CC(=O)CS1 ZINC000738554720 576088060 /nfs/dbraw/zinc/08/80/60/576088060.db2.gz IRERVCSBCJNJOQ-LLVKDONJSA-N 0 0 268.382 1.866 20 10 CDCDRN Cc1cc(N(C)C(=O)/C=C/c2cnn(C)c2)ccn1 ZINC000766605548 576115469 /nfs/dbraw/zinc/11/54/69/576115469.db2.gz LNWMLEBXGYNCRK-SNAWJCMRSA-N 0 0 256.309 1.800 20 10 CDCDRN CC(C)(C(N)=O)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000768083626 576255683 /nfs/dbraw/zinc/25/56/83/576255683.db2.gz YMLAACKQJCQJAR-UHFFFAOYSA-N 0 0 290.363 1.399 20 10 CDCDRN O=C(NCCc1ccc(O)c(O)c1)c1cscn1 ZINC000768900712 576316622 /nfs/dbraw/zinc/31/66/22/576316622.db2.gz NUXKMQNFZWVMMS-UHFFFAOYSA-N 0 0 264.306 1.527 20 10 CDCDRN O=C(NCCc1cscn1)NCc1ccccc1O ZINC000769085405 576328507 /nfs/dbraw/zinc/32/85/07/576328507.db2.gz GBZMNDFYJNVEPQ-UHFFFAOYSA-N 0 0 277.349 1.891 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)C1(C(N)=O)CCC1 ZINC000769282144 576342252 /nfs/dbraw/zinc/34/22/52/576342252.db2.gz LLZSETIFCLYKDN-UHFFFAOYSA-N 0 0 262.309 1.006 20 10 CDCDRN C[C@H](C[C@@H]1CCOC1)NC(=O)C1=CC(=O)CS1 ZINC000760141749 576460667 /nfs/dbraw/zinc/46/06/67/576460667.db2.gz XOUGSXGMPZIUIQ-BDAKNGLRSA-N 0 0 255.339 1.999 20 10 CDCDRN C[C@](O)(CNC(=O)C1=CC(=O)CS1)C(F)(F)F ZINC000761061493 576539829 /nfs/dbraw/zinc/53/98/29/576539829.db2.gz CZLUYWQUEPSZNI-QMMMGPOBSA-N 0 0 269.244 1.497 20 10 CDCDRN O=C(C1=CC(=O)CS1)N1CC(=O)N(CC(F)(F)F)C1 ZINC000754474010 576897898 /nfs/dbraw/zinc/89/78/98/576897898.db2.gz XUFRMUHWMNBTMF-UHFFFAOYSA-N 0 0 294.254 1.258 20 10 CDCDRN CCC(=O)N1CCC[C@H](C(=O)NCc2ccccc2O)C1 ZINC000748346466 576906641 /nfs/dbraw/zinc/90/66/41/576906641.db2.gz XXBGVUOONHYQRO-ZDUSSCGKSA-N 0 0 290.363 1.657 20 10 CDCDRN Cn1cc(/C=C/C(=O)N2CCOc3ncccc32)cn1 ZINC000748757226 576922954 /nfs/dbraw/zinc/92/29/54/576922954.db2.gz AEZNXDUBZUPORP-SNAWJCMRSA-N 0 0 270.292 1.254 20 10 CDCDRN Cc1n[nH]c(C(=O)NCc2ccccc2O)c1[N+](=O)[O-] ZINC000749942245 576969281 /nfs/dbraw/zinc/96/92/81/576969281.db2.gz UHHAZNZCYCBZRC-UHFFFAOYSA-N 0 0 276.252 1.262 20 10 CDCDRN C[C@H](C(=O)N(C)Cc1ccccc1O)c1cnn(C)c1 ZINC000750236090 576982219 /nfs/dbraw/zinc/98/22/19/576982219.db2.gz DIPAMYJSRNBYKX-NSHDSACASA-N 0 0 273.336 1.888 20 10 CDCDRN CCCNC(=O)[C@@H](C)OC(=O)c1ccc(C)c(O)c1O ZINC000750618236 576997473 /nfs/dbraw/zinc/99/74/73/576997473.db2.gz ASUUDUOGOYEXPT-SECBINFHSA-N 0 0 281.308 1.478 20 10 CDCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)C(C)(C)O)c1 ZINC000756816812 577006404 /nfs/dbraw/zinc/00/64/04/577006404.db2.gz AMMHASKZAHVPDJ-UWVGGRQHSA-N 0 0 281.352 1.989 20 10 CDCDRN C[C@@H]([NH2+]CCCn1cncn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756830567 577006807 /nfs/dbraw/zinc/00/68/07/577006807.db2.gz RIXFNCDTKARGJE-SNVBAGLBSA-N 0 0 291.311 1.633 20 10 CDCDRN CCOc1ccc(O)c(C[N@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000833662297 604672748 /nfs/dbraw/zinc/67/27/48/604672748.db2.gz AWLCRPGOSGLADH-MFKMUULPSA-N 0 0 279.336 1.943 20 10 CDCDRN Cc1ccc(C(=O)N[C@H]2COC[C@H]2C2CC2)c(O)c1O ZINC000891051736 617356807 /nfs/dbraw/zinc/35/68/07/617356807.db2.gz FDAKVPUYMROQMA-RYUDHWBXSA-N 0 0 277.320 1.561 20 10 CDCDRN COc1ccc(CN2CCOC[C@H]2C)c(O)c1OC ZINC000891696431 617544458 /nfs/dbraw/zinc/54/44/58/617544458.db2.gz 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/nfs/dbraw/zinc/94/35/87/618943587.db2.gz BHCYEOKUXHVFGT-GFCCVEGCSA-N 0 0 287.306 1.908 20 10 CDCDRN C[N@@H+](Cc1cc(F)cc(F)c1[O-])CC1CC(O)C1 ZINC000894533656 618945596 /nfs/dbraw/zinc/94/55/96/618945596.db2.gz OJAFXRKLYRQHRH-UHFFFAOYSA-N 0 0 257.280 1.873 20 10 CDCDRN CON(C)C(=O)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000895042648 619219667 /nfs/dbraw/zinc/21/96/67/619219667.db2.gz IXYAIFXVBQCQEQ-UHFFFAOYSA-N 0 0 276.695 1.294 20 10 CDCDRN C[C@H]1CC[C@H](CNC(=O)NCCc2ccc(N)cc2)O1 ZINC000841915165 620489951 /nfs/dbraw/zinc/48/99/51/620489951.db2.gz MTPYIOSXHNILMM-SMDDNHRTSA-N 0 0 277.368 1.678 20 10 CDCDRN CC1(C)CCCN(C(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000841038319 621343515 /nfs/dbraw/zinc/34/35/15/621343515.db2.gz UWXMZAHDIUTKKG-UHFFFAOYSA-N 0 0 275.352 1.856 20 10 CDCDRN Cc1ccc(C(=O)N[C@H](CO)C[C@@H]2CCCO2)c(O)c1O ZINC000923740712 621624435 /nfs/dbraw/zinc/62/44/35/621624435.db2.gz JRDFEEYLIWXUAP-QWRGUYRKSA-N 0 0 295.335 1.066 20 10 CDCDRN CCOCc1cc(C[NH2+][C@@H](COC)C(=O)[O-])ccc1OC ZINC000901476338 624264497 /nfs/dbraw/zinc/26/44/97/624264497.db2.gz AXEWDTAYPFKLCJ-ZDUSSCGKSA-N 0 0 297.351 1.421 20 10 CDCDRN COCC[N@H+](CCC(=O)[O-])Cc1cc(F)ccc1O ZINC000904269313 626235310 /nfs/dbraw/zinc/23/53/10/626235310.db2.gz AWXWFVXRBDEWCJ-UHFFFAOYSA-N 0 0 271.288 1.454 20 10 CDCDRN CCN(CCC(=O)NC)C(=O)Nc1ccc(N)cc1 ZINC000904500052 626307491 /nfs/dbraw/zinc/30/74/91/626307491.db2.gz IXJGNWSUZGIROW-UHFFFAOYSA-N 0 0 264.329 1.259 20 10 CDCDRN CCOc1ccccc1NC[C@H](O)C[C@]1(O)CCOC1 ZINC000905294707 626722957 /nfs/dbraw/zinc/72/29/57/626722957.db2.gz JOEDHXWQDWXWKW-IUODEOHRSA-N 0 0 281.352 1.400 20 10 CDCDRN COc1ccccc1NC[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905300903 626755185 /nfs/dbraw/zinc/75/51/85/626755185.db2.gz QSPZPVVEZJIMBX-FZMZJTMJSA-N 0 0 267.325 1.010 20 10 CDCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCC(N)=O ZINC000906426826 627270944 /nfs/dbraw/zinc/27/09/44/627270944.db2.gz AVPWNAPCOVVJOU-UHFFFAOYSA-N 0 0 277.368 1.367 20 10 CDCDRN COc1ccc(O)c(CNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@@H]32)c1 ZINC000907059569 627513658 /nfs/dbraw/zinc/51/36/58/627513658.db2.gz FEOUFYZGIKNOFT-LERXQTSPSA-N 0 0 275.304 1.242 20 10 CDCDRN CS[C@@H](C)CC(=O)NCc1ccc(O)cc1O ZINC000910948937 629114373 /nfs/dbraw/zinc/11/43/73/629114373.db2.gz BRBVJDNIQNCYIC-QMMMGPOBSA-N 0 0 255.339 1.856 20 10 CDCDRN C[C@H]1CC(=O)CC[C@H]1C(=O)NCc1ccc(O)cc1O ZINC000910950650 629114705 /nfs/dbraw/zinc/11/47/05/629114705.db2.gz ZIRYIDFFGBSEMG-TVQRCGJNSA-N 0 0 277.320 1.719 20 10 CDCDRN Cc1cnn(CCC(=O)NCc2ccc(O)cc2O)c1 ZINC000910952777 629116152 /nfs/dbraw/zinc/11/61/52/629116152.db2.gz YHZAGUSHIPWVLG-UHFFFAOYSA-N 0 0 275.308 1.309 20 10 CDCDRN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)NCc1ccc(O)cc1O ZINC000910954904 629117031 /nfs/dbraw/zinc/11/70/31/629117031.db2.gz AJXZDJQTQJVOMD-PUXPGTEJSA-N 0 0 279.336 1.774 20 10 CDCDRN CC(C)CCC(=O)NCC(=O)NCc1ccc(O)cc1O ZINC000910956516 629118159 /nfs/dbraw/zinc/11/81/59/629118159.db2.gz XCAVNSOQSJZSTF-UHFFFAOYSA-N 0 0 294.351 1.266 20 10 CDCDRN C[C@H]1C[C@H](C(=O)NCc2ccc(O)cc2O)CO1 ZINC000910947694 629127088 /nfs/dbraw/zinc/12/70/88/629127088.db2.gz JWGWMXUIEMLKKZ-WPRPVWTQSA-N 0 0 251.282 1.139 20 10 CDCDRN C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000031728242 631429420 /nfs/dbraw/zinc/42/94/20/631429420.db2.gz OAEBETJBESRVME-GFCCVEGCSA-N 0 0 277.368 1.683 20 10 CDCDRN CN(C)c1ccc(CN(C)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000914566446 631516050 /nfs/dbraw/zinc/51/60/50/631516050.db2.gz IVONPMYFYSJYQU-UHFFFAOYSA-N 0 0 289.339 1.947 20 10 CDCDRN CS(=O)(=O)c1ccc(C=C2SC(=S)NC2=O)cc1 ZINC000918155876 632336406 /nfs/dbraw/zinc/33/64/06/632336406.db2.gz XUQIQFQEBXJLOO-TWGQIWQCSA-N 0 0 299.398 1.579 20 10 CDCDRN Cc1nnc2n1CCN(C(=O)Cc1ccc(N)cc1)[C@@H]2C ZINC001579914739 1172299262 /nfs/dbraw/zinc/29/92/62/1172299262.db2.gz QHMXBJDEYQNTRL-SNVBAGLBSA-N 0 0 285.351 1.315 20 10 CDCDRN Nc1ccc(CNS(=O)(=O)c2cccnc2Cl)cc1 ZINC001580447222 1172438432 /nfs/dbraw/zinc/43/84/32/1172438432.db2.gz VMLHCBRQFQFKIV-UHFFFAOYSA-N 0 0 297.767 1.796 20 10 CDCDRN Nc1ccc(C[N@H+](CCC(=O)[O-])C[C@@H]2CCCO2)cc1 ZINC001601215547 1174792596 /nfs/dbraw/zinc/79/25/96/1174792596.db2.gz DOAACQDJJDQMTK-AWEZNQCLSA-N 0 0 278.352 1.725 20 10 CDCDRN Nc1cccc2c1CCN(C(=O)c1cccc(O)c1O)C2 ZINC000126684973 1175486487 /nfs/dbraw/zinc/48/64/87/1175486487.db2.gz ZPWWNTLVVFEYES-UHFFFAOYSA-N 0 0 284.315 1.879 20 10 CDCDRN Nc1ccc(Cc2noc(CN3CCOCC3)n2)cc1 ZINC000843162304 705319797 /nfs/dbraw/zinc/31/97/97/705319797.db2.gz VXSPAZXWQSTDLF-UHFFFAOYSA-N 0 0 274.324 1.075 20 10 CDCDRN OCC1(CSc2ncc(Cl)s2)COC1 ZINC000849999978 705358385 /nfs/dbraw/zinc/35/83/85/705358385.db2.gz FKDRWRWUIHROGR-UHFFFAOYSA-N 0 0 251.760 1.898 20 10 CDCDRN C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2O)CS1 ZINC000397873548 705358399 /nfs/dbraw/zinc/35/83/99/705358399.db2.gz UKEXBTLRYIJHGN-HTQZYQBOSA-N 0 0 253.323 1.722 20 10 CDCDRN CC(=O)N1CCC[C@H](C(=O)NCc2cc(C)ccc2O)C1 ZINC000862760657 705394299 /nfs/dbraw/zinc/39/42/99/705394299.db2.gz UEXLQVCFJOOUEU-ZDUSSCGKSA-N 0 0 290.363 1.575 20 10 CDCDRN [NH3+][C@@H](C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000841050092 705431583 /nfs/dbraw/zinc/43/15/83/705431583.db2.gz OPKADSGNICDROT-JTQLQIEISA-N 0 0 285.731 1.781 20 10 CDCDRN CCO[N-]C(=O)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000826142815 710863642 /nfs/dbraw/zinc/86/36/42/710863642.db2.gz LWEGPHXPIDTETA-UHFFFAOYSA-N 0 0 272.732 1.511 20 10 CDCDRN C[C@H](CCO)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000846602189 705442896 /nfs/dbraw/zinc/44/28/96/705442896.db2.gz QEXHXXISCVFRML-DFVUYQKZSA-N 0 0 265.309 1.340 20 10 CDCDRN Cn1cc(/C=C\C(=O)N2C[C@H](CO)Cc3ccccc32)cn1 ZINC000816782627 705455931 /nfs/dbraw/zinc/45/59/31/705455931.db2.gz BXJNKGGTYPWHAF-LMVHVUTASA-N 0 0 297.358 1.631 20 10 CDCDRN CCOC(=O)Cn1cc(COc2ccc(N)cc2)nn1 ZINC000864621273 705481358 /nfs/dbraw/zinc/48/13/58/705481358.db2.gz HQKUNYCOESPPMS-UHFFFAOYSA-N 0 0 276.296 1.002 20 10 CDCDRN C[C@H]([NH2+]CCCOCCO)c1c([O-])cccc1F ZINC000886588379 705509193 /nfs/dbraw/zinc/50/91/93/705509193.db2.gz PXFQUSNFOIFXLG-JTQLQIEISA-N 0 0 257.305 1.581 20 10 CDCDRN COc1ccc(CNC(=O)NOC2CCC2)c(O)c1 ZINC000836573185 705547672 /nfs/dbraw/zinc/54/76/72/705547672.db2.gz SPKZKBMPJBDCJN-UHFFFAOYSA-N 0 0 266.297 1.684 20 10 CDCDRN C[C@@H]([NH2+]C[C@H]1CCCNC1=O)c1cc(F)cc(F)c1[O-] ZINC000840826410 705589534 /nfs/dbraw/zinc/58/95/34/705589534.db2.gz XJYIAYAIGHFICV-RKDXNWHRSA-N 0 0 284.306 1.847 20 10 CDCDRN COc1cccc(CCC(=O)OCC(=O)C(C)=O)c1OC ZINC000808490465 705609684 /nfs/dbraw/zinc/60/96/84/705609684.db2.gz PDXUYSSIBCDADQ-UHFFFAOYSA-N 0 0 294.303 1.338 20 10 CDCDRN Cc1cnn(C)c1C(=O)N(C)Cc1ccccc1O ZINC000839542925 705611239 /nfs/dbraw/zinc/61/12/39/705611239.db2.gz WDVAIFAAHYESOY-UHFFFAOYSA-N 0 0 259.309 1.706 20 10 CDCDRN O=C(C1=CC(=O)CS1)N1CCC(CCO)CC1 ZINC000846662537 705687274 /nfs/dbraw/zinc/68/72/74/705687274.db2.gz CFPSMPMFPMNKQM-UHFFFAOYSA-N 0 0 255.339 1.688 20 10 CDCDRN COCC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000790430372 705744577 /nfs/dbraw/zinc/74/45/77/705744577.db2.gz KDXYOLLWALIBEK-GQCTYLIASA-N 0 0 277.320 1.606 20 10 CDCDRN C[C@@H](NC(=O)N[C@@H](C)CC(N)=O)c1ccc(N(C)C)cc1 ZINC000776237532 705746171 /nfs/dbraw/zinc/74/61/71/705746171.db2.gz BKIKDGDHJFKJBA-WDEREUQCSA-N 0 0 292.383 1.377 20 10 CDCDRN CCn1cnnc1CN[C@@H](C)c1c(O)cccc1F ZINC000886504956 705754109 /nfs/dbraw/zinc/75/41/09/705754109.db2.gz AMUWKDZOMIQQMN-VIFPVBQESA-N 0 0 264.304 1.994 20 10 CDCDRN C[C@H]1CCCCN1C(=O)COC(=O)c1cccc(O)c1O ZINC000776278777 705776198 /nfs/dbraw/zinc/77/61/98/705776198.db2.gz GFLHDKHSAXYPMI-JTQLQIEISA-N 0 0 293.319 1.656 20 10 CDCDRN C[C@H]1COCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841955959 705786684 /nfs/dbraw/zinc/78/66/84/705786684.db2.gz SIGRSNFSGHKBQH-NSHDSACASA-N 0 0 263.341 1.242 20 10 CDCDRN COc1cccc(CNC(=O)c2c(C)onc2CO)c1O ZINC000847590019 705820697 /nfs/dbraw/zinc/82/06/97/705820697.db2.gz QWWUCKFXRQDNSB-UHFFFAOYSA-N 0 0 292.291 1.120 20 10 CDCDRN C[C@@H](CCCO)CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000833889241 705828513 /nfs/dbraw/zinc/82/85/13/705828513.db2.gz RINVMXBBBMKVJM-ZRQQLDRUSA-N 0 0 279.336 1.636 20 10 CDCDRN COc1cccc(CNC(=O)Cn2nccc2C)c1O ZINC000860240658 705830123 /nfs/dbraw/zinc/83/01/23/705830123.db2.gz JSMUBRSGOGFWFE-UHFFFAOYSA-N 0 0 275.308 1.222 20 10 CDCDRN Cc1cn(C(C)(C)C(=O)NCCc2ccc(N)cc2)cn1 ZINC000884028463 705832503 /nfs/dbraw/zinc/83/25/03/705832503.db2.gz HUROORIFPCHXDQ-UHFFFAOYSA-N 0 0 286.379 1.868 20 10 CDCDRN COc1ccc(CNc2cncc(-n3cccn3)n2)c(O)c1 ZINC000795284146 705836211 /nfs/dbraw/zinc/83/62/11/705836211.db2.gz IQFBLIIMSKRZBL-UHFFFAOYSA-N 0 0 297.318 1.989 20 10 CDCDRN C[C@H]1C[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856208016 705838777 /nfs/dbraw/zinc/83/87/77/705838777.db2.gz FYGSMEBZBWXXDT-LRDDRELGSA-N 0 0 288.391 1.920 20 10 CDCDRN O=C(NCc1cc(Cl)ccc1O)c1cnc[nH]1 ZINC000857547764 705867133 /nfs/dbraw/zinc/86/71/33/705867133.db2.gz SMMLDCIFJSGVMP-UHFFFAOYSA-N 0 0 251.673 1.699 20 10 CDCDRN O=C(C1=CC(=O)CS1)N1CCOC[C@]12CCOC2 ZINC000854337649 705884503 /nfs/dbraw/zinc/88/45/03/705884503.db2.gz CTHVSIUSTGRLJH-GFCCVEGCSA-N 0 0 269.322 1.085 20 10 CDCDRN CC(C)[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841013993 705927225 /nfs/dbraw/zinc/92/72/25/705927225.db2.gz CXTISHBWONGGIV-SNVBAGLBSA-N 0 0 263.341 1.710 20 10 CDCDRN CCn1nc(C)c(CNCc2ccc3c(c2)CCO3)n1 ZINC000823752727 705953505 /nfs/dbraw/zinc/95/35/05/705953505.db2.gz LJDQDDZYUHKUGS-UHFFFAOYSA-N 0 0 272.352 1.831 20 10 CDCDRN O=C(NCC[C@@H]1CCCS1(=O)=O)C1=CC(=O)CS1 ZINC000881895381 705980022 /nfs/dbraw/zinc/98/00/22/705980022.db2.gz UWQUUOCHRJUMSW-VIFPVBQESA-N 0 0 289.378 1.151 20 10 CDCDRN CON(C)CC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000883172056 705980839 /nfs/dbraw/zinc/98/08/39/705980839.db2.gz SGFQDEYPYXEGRL-UHFFFAOYSA-N 0 0 262.712 1.768 20 10 CDCDRN C[C@H](C[C@H]1CCOC1)NC(=O)Cc1ccc(N)cc1 ZINC000831299172 705994049 /nfs/dbraw/zinc/99/40/49/705994049.db2.gz OOMNPIWSYFFNDP-DGCLKSJQSA-N 0 0 262.353 1.743 20 10 CDCDRN O=C1OCCN1C1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000827740606 706000999 /nfs/dbraw/zinc/00/09/99/706000999.db2.gz DERVDTLIKBTWEX-UHFFFAOYSA-N 0 0 294.326 1.948 20 10 CDCDRN CC(C)[C@H](O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000813525573 706007248 /nfs/dbraw/zinc/00/72/48/706007248.db2.gz WCMIVMXMOOODMJ-FZMZJTMJSA-N 0 0 264.369 1.947 20 10 CDCDRN COC(=O)c1ccc(C(=O)NCc2ccccc2O)n1C ZINC000815833557 706044998 /nfs/dbraw/zinc/04/49/98/706044998.db2.gz SYUIPMZCILFVGB-UHFFFAOYSA-N 0 0 288.303 1.447 20 10 CDCDRN CN(C)c1ccc(CNC(=O)c2ccncn2)cc1 ZINC000777438311 706062809 /nfs/dbraw/zinc/06/28/09/706062809.db2.gz DLUOYCWSJBBUGN-UHFFFAOYSA-N 0 0 256.309 1.473 20 10 CDCDRN C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC34CC4)cc2)CC1 ZINC000881853267 706101544 /nfs/dbraw/zinc/10/15/44/706101544.db2.gz OXOSKKUZVSHMNF-INIZCTEOSA-N 0 0 299.418 1.855 20 10 CDCDRN COc1cccc(CNC(=O)c2nc(C)no2)c1O ZINC000865925302 706130407 /nfs/dbraw/zinc/13/04/07/706130407.db2.gz IIXZJWILMLTFDR-UHFFFAOYSA-N 0 0 263.253 1.022 20 10 CDCDRN CCN(C)C(=O)CNC(=O)NCc1cc(Cl)ccc1O ZINC000845127716 706132217 /nfs/dbraw/zinc/13/22/17/706132217.db2.gz ORJWYMSVCQDJIO-UHFFFAOYSA-N 0 0 299.758 1.323 20 10 CDCDRN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@H](CO)C1 ZINC000775668947 706156695 /nfs/dbraw/zinc/15/66/95/706156695.db2.gz AWYXBAQKUHUCKP-QMMMGPOBSA-N 0 0 259.708 1.999 20 10 CDCDRN CCOc1cccc(CN[C@@H](COC)C(=O)OC)c1O ZINC000789576897 706164590 /nfs/dbraw/zinc/16/45/90/706164590.db2.gz SHMIWDGXWVQVND-NSHDSACASA-N 0 0 283.324 1.069 20 10 CDCDRN CC[C@@H]1CN(C(=O)C2=CC(=O)CS2)C[C@@H](C)[S@]1=O ZINC000807687829 706219586 /nfs/dbraw/zinc/21/95/86/706219586.db2.gz CUMBEQWXRSQZBJ-LTLOQGBMSA-N 0 0 287.406 1.825 20 10 CDCDRN C[C@H](Cn1cccn1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779478453 706226980 /nfs/dbraw/zinc/22/69/80/706226980.db2.gz HCQPDWXWJLCCNY-DUMNWFOQSA-N 0 0 287.319 1.512 20 10 CDCDRN COc1cccc(CNC(=O)C2(SC)CC2)c1O ZINC000190723864 706237959 /nfs/dbraw/zinc/23/79/59/706237959.db2.gz XNDBXWXSZVEKAS-UHFFFAOYSA-N 0 0 267.350 1.913 20 10 CDCDRN COCCCOCCC(=O)NCc1cccc(OC)c1O ZINC000830540499 706240609 /nfs/dbraw/zinc/24/06/09/706240609.db2.gz LESZLTLDNVZUGC-UHFFFAOYSA-N 0 0 297.351 1.460 20 10 CDCDRN CC(=O)C(=O)COC(=O)c1cccnc1SC(F)F ZINC000808490102 709483079 /nfs/dbraw/zinc/48/30/79/709483079.db2.gz AQXMCXANNVWPAT-UHFFFAOYSA-N 0 0 289.259 1.711 20 10 CDCDRN CCN1C[C@@H]([NH2+][C@@H](C)c2c([O-])cccc2F)CC1=O ZINC000886619128 709576870 /nfs/dbraw/zinc/57/68/70/709576870.db2.gz TVWPESBOUARPKD-UWVGGRQHSA-N 0 0 266.316 1.803 20 10 CDCDRN COc1cccc(CNC(=O)NCc2ccco2)c1O ZINC000078459258 709639728 /nfs/dbraw/zinc/63/97/28/709639728.db2.gz YJWQRVLOISCYBD-UHFFFAOYSA-N 0 0 276.292 1.993 20 10 CDCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CO[C@@H](C)C1 ZINC000784462404 709708606 /nfs/dbraw/zinc/70/86/06/709708606.db2.gz GOQYFPOSYBUVAT-SCVCMEIPSA-N 0 0 279.336 1.570 20 10 CDCDRN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(C)(C)O ZINC000779531558 709778050 /nfs/dbraw/zinc/77/80/50/709778050.db2.gz OHKLWHSDLSYNMH-IWGCBNPKSA-N 0 0 265.309 1.387 20 10 CDCDRN C[C@@H]([NH2+]CCOCCF)c1cc([N+](=O)[O-])ccc1[O-] ZINC000853238383 709788602 /nfs/dbraw/zinc/78/86/02/709788602.db2.gz HTINKXATWSJWIS-SECBINFHSA-N 0 0 272.276 1.937 20 10 CDCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ncn(C)n1 ZINC000836663376 709800029 /nfs/dbraw/zinc/80/00/29/709800029.db2.gz INSDWMJUSYSXBS-UHFFFAOYSA-N 0 0 288.355 1.511 20 10 CDCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1nccc(N)n1 ZINC000865936608 709821442 /nfs/dbraw/zinc/82/14/42/709821442.db2.gz NPHYNJZYBSYVAW-UHFFFAOYSA-N 0 0 285.351 1.194 20 10 CDCDRN C[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccc(F)cc1[O-] ZINC000834907849 709829991 /nfs/dbraw/zinc/82/99/91/709829991.db2.gz DOASTSVPMCLJAN-OTYXRUKQSA-N 0 0 266.316 1.851 20 10 CDCDRN CCONC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000845122239 709860624 /nfs/dbraw/zinc/86/06/24/709860624.db2.gz OAUIHKLDSGIDKJ-UHFFFAOYSA-N 0 0 281.356 1.724 20 10 CDCDRN C[C@@H]1C(=O)NCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000123404801 709875455 /nfs/dbraw/zinc/87/54/55/709875455.db2.gz SLPVQIUAOZYSIJ-CQSZACIVSA-N 0 0 287.407 1.997 20 10 CDCDRN CCOc1ccc(O)c(CN2C[C@@H](C)O[C@H](CO)C2)c1 ZINC000191534324 709885537 /nfs/dbraw/zinc/88/55/37/709885537.db2.gz VLVLWRHWAOPQMC-RISCZKNCSA-N 0 0 281.352 1.373 20 10 CDCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]([NH3+])CCOC ZINC000884113266 709890737 /nfs/dbraw/zinc/89/07/37/709890737.db2.gz LFOQFGALUSBHTM-ZDUSSCGKSA-N 0 0 280.368 1.495 20 10 CDCDRN CN1CN(Cc2ccc(Br)cc2O)CC1=O ZINC000825476109 709893201 /nfs/dbraw/zinc/89/32/01/709893201.db2.gz YPAXZJKPGYVXTM-UHFFFAOYSA-N 0 0 285.141 1.386 20 10 CDCDRN CCC(C)(C)OCC(=O)NCCc1ccc(O)c(O)c1 ZINC000837481459 709893616 /nfs/dbraw/zinc/89/36/16/709893616.db2.gz PIMIUFVSFHBDDM-UHFFFAOYSA-N 0 0 281.352 1.962 20 10 CDCDRN COc1ccc(O)c([C@H](C)NC(=O)CCC(C)=O)c1 ZINC000192968553 709906075 /nfs/dbraw/zinc/90/60/75/709906075.db2.gz MPNNKTXAKFRASY-JTQLQIEISA-N 0 0 265.309 1.947 20 10 CDCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CO[C@@H](C)C2)c1 ZINC000858575362 709928259 /nfs/dbraw/zinc/92/82/59/709928259.db2.gz YSIVUJOERVGSKV-JQWIXIFHSA-N 0 0 264.325 1.677 20 10 CDCDRN CC(C)[C@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)N(C)C ZINC000803493644 709942964 /nfs/dbraw/zinc/94/29/64/709942964.db2.gz PMVHWSQQSQSXAH-CQSZACIVSA-N 0 0 295.335 1.410 20 10 CDCDRN CC[C@@H](NC(=O)Cc1ccc(N)cc1)[C@@H]1CCCO1 ZINC000846684805 709962359 /nfs/dbraw/zinc/96/23/59/709962359.db2.gz SDYURNVPCSBGCT-KGLIPLIRSA-N 0 0 262.353 1.885 20 10 CDCDRN COc1ccc(O)c([C@@H](C)NC(=O)CSCC(C)=O)c1 ZINC000787447446 709977732 /nfs/dbraw/zinc/97/77/32/709977732.db2.gz ZSKSXWCOYUFYFD-SNVBAGLBSA-N 0 0 297.376 1.900 20 10 CDCDRN Cc1ccc(C(=O)OCCn2cccn2)c(O)c1O ZINC000110530944 710003077 /nfs/dbraw/zinc/00/30/77/710003077.db2.gz YDFRZWFUINXFPM-UHFFFAOYSA-N 0 0 262.265 1.460 20 10 CDCDRN O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc[nH]c1=O ZINC000779507092 710021445 /nfs/dbraw/zinc/02/14/45/710021445.db2.gz WCYPOFUXVMECES-XQRVVYSFSA-N 0 0 272.260 1.850 20 10 CDCDRN CCc1cc(C(=O)N(C)Cc2ccccc2O)n(C)n1 ZINC000383911360 710052920 /nfs/dbraw/zinc/05/29/20/710052920.db2.gz FNJDOULBQQHSGA-UHFFFAOYSA-N 0 0 273.336 1.960 20 10 CDCDRN Cn1ncc(C2CC2)c1C(=O)NCCc1ccc(N)cc1 ZINC000851632714 710081281 /nfs/dbraw/zinc/08/12/81/710081281.db2.gz VPGKQIVMAMUEIA-UHFFFAOYSA-N 0 0 284.363 1.852 20 10 CDCDRN O=C(Cc1ccc2c[nH]nc2c1)NCc1ccc(O)c(O)c1 ZINC000793690238 710239293 /nfs/dbraw/zinc/23/92/93/710239293.db2.gz SQXBSVMGSGGYBL-UHFFFAOYSA-N 0 0 297.314 1.833 20 10 CDCDRN CC[C@H]1CCCN1C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841028313 710252340 /nfs/dbraw/zinc/25/23/40/710252340.db2.gz OLISRVYIUCXDBN-LBPRGKRZSA-N 0 0 261.325 1.608 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000193946436 710256394 /nfs/dbraw/zinc/25/63/94/710256394.db2.gz KMIVEUCHIBJRSG-UHFFFAOYSA-N 0 0 290.279 1.156 20 10 CDCDRN COC(=O)[C@H](C)NCc1ccc(N(C)C)cc1C ZINC000840942257 710259567 /nfs/dbraw/zinc/25/95/67/710259567.db2.gz WZHBOCOYANJRBP-NSHDSACASA-N 0 0 250.342 1.712 20 10 CDCDRN Cc1cccn2cc(CNC(=O)c3cccc(O)c3O)nc12 ZINC000187080120 710269539 /nfs/dbraw/zinc/26/95/39/710269539.db2.gz SWSPSWQTZUDCML-UHFFFAOYSA-N 0 0 297.314 1.984 20 10 CDCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](NC=O)C(C)C)c1 ZINC000860242407 710292104 /nfs/dbraw/zinc/29/21/04/710292104.db2.gz QLELTPBQGJMGNM-YGRLFVJLSA-N 0 0 294.351 1.349 20 10 CDCDRN O=C(OCc1cc2n(n1)CCC2)c1cccc(O)c1O ZINC000845149709 710292793 /nfs/dbraw/zinc/29/27/93/710292793.db2.gz KMNGCOLCGLZDNA-UHFFFAOYSA-N 0 0 274.276 1.598 20 10 CDCDRN CN(C(=O)/C=C\CN1CCOCC1)c1ccc(N)cc1 ZINC000877075469 710300003 /nfs/dbraw/zinc/30/00/03/710300003.db2.gz DDEBAHVONONENK-IHWYPQMZSA-N 0 0 275.352 1.120 20 10 CDCDRN O=C(COCc1cccnc1)NCc1ccc(O)c(O)c1 ZINC000813488759 710305064 /nfs/dbraw/zinc/30/50/64/710305064.db2.gz FGJOXDJDAPGBTC-UHFFFAOYSA-N 0 0 288.303 1.326 20 10 CDCDRN C[C@@H](NS(=O)(=O)CCn1cccn1)c1ccccc1O ZINC000867834008 710313125 /nfs/dbraw/zinc/31/31/25/710313125.db2.gz CGWXCIAFDREFCB-LLVKDONJSA-N 0 0 295.364 1.269 20 10 CDCDRN Cc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)on1 ZINC000183414219 710336450 /nfs/dbraw/zinc/33/64/50/710336450.db2.gz FTXBXUYKNYBKLQ-QMMMGPOBSA-N 0 0 276.292 1.755 20 10 CDCDRN O=C(NC[C@H](CO)Cc1ccoc1)C1=CC(=O)CS1 ZINC000881723258 710339129 /nfs/dbraw/zinc/33/91/29/710339129.db2.gz VRYKVQHLIWVXBW-SNVBAGLBSA-N 0 0 281.333 1.628 20 10 CDCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CCC=CO1 ZINC000781487894 710342366 /nfs/dbraw/zinc/34/23/66/710342366.db2.gz OYMJFGLMGUEARS-HWPRWLFBSA-N 0 0 275.304 1.920 20 10 CDCDRN C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CC[C@@H]1C(=O)[O-] ZINC000863739663 710344678 /nfs/dbraw/zinc/34/46/78/710344678.db2.gz NSLULIVNTAFNAM-KOLCDFICSA-N 0 0 293.319 1.664 20 10 CDCDRN CO[C@@]1(C)C[C@H]1NC(=O)N[C@H](C)c1ccccc1O ZINC000868789425 710349432 /nfs/dbraw/zinc/34/94/32/710349432.db2.gz PYSFDWVZKBMGIP-IUPBHXKESA-N 0 0 264.325 1.930 20 10 CDCDRN C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000839727704 710364655 /nfs/dbraw/zinc/36/46/55/710364655.db2.gz CRFDBLRAOSOIOX-ZWKOPEQDSA-N 0 0 277.324 1.595 20 10 CDCDRN C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000844932818 710365270 /nfs/dbraw/zinc/36/52/70/710365270.db2.gz ABOXKAQQGNVFEB-PSASIEDQSA-N 0 0 279.292 1.558 20 10 CDCDRN COc1ccc(CNC(=O)Nc2cc(C)nn2C)c(O)c1 ZINC000794761970 710370189 /nfs/dbraw/zinc/37/01/89/710370189.db2.gz 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ZINC000862235837 929391112 /nfs/dbraw/zinc/39/11/12/929391112.db2.gz CZCUSGALKWZRDS-MRVPVSSYSA-N 0 0 299.168 1.475 20 10 CDCDRN CCN(C)c1ccc(Cn2cc(CNC(C)=O)nn2)cc1 ZINC000881314984 929814470 /nfs/dbraw/zinc/81/44/70/929814470.db2.gz KCWKXBHSJCOFIM-UHFFFAOYSA-N 0 0 287.367 1.419 20 10 CDCDRN O=C1NCC[C@@]12CCC[N@@H+](Cc1c(F)ccc(F)c1[O-])C2 ZINC001139681609 937396375 /nfs/dbraw/zinc/39/63/75/937396375.db2.gz VALAORMTWITAQL-OAHLLOKOSA-N 0 0 296.317 1.773 20 10 CDCDRN CCn1nc(C)c(C(=O)NCc2ccc(OC)cc2O)n1 ZINC000816551199 930305770 /nfs/dbraw/zinc/30/57/70/930305770.db2.gz SMCUIJMGJODJFS-UHFFFAOYSA-N 0 0 290.323 1.251 20 10 CDCDRN COC[C@@](C)(CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816563325 930318016 /nfs/dbraw/zinc/31/80/16/930318016.db2.gz TYEKMEBSSMQLPU-GFCCVEGCSA-N 0 0 277.723 1.672 20 10 CDCDRN CC(C)OCCN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819167572 930768406 /nfs/dbraw/zinc/76/84/06/930768406.db2.gz FFCIUSWYHBTRCC-UHFFFAOYSA-N 0 0 292.335 1.581 20 10 CDCDRN CSC[C@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819169132 930768489 /nfs/dbraw/zinc/76/84/89/930768489.db2.gz XDQIJESCEVMMDA-JTQLQIEISA-N 0 0 294.376 1.908 20 10 CDCDRN COCC[N@H+](CCO)Cc1ccc(N2CCCC2)cc1 ZINC001116443664 937448866 /nfs/dbraw/zinc/44/88/66/937448866.db2.gz ADODYKVXXGBUBL-UHFFFAOYSA-N 0 0 278.396 1.728 20 10 CDCDRN Oc1cc2c(cc1CNc1n[nH]c3c1COCC3)OCO2 ZINC000886208118 930826797 /nfs/dbraw/zinc/82/67/97/930826797.db2.gz WLJBMGRYAXLSKF-UHFFFAOYSA-N 0 0 289.291 1.529 20 10 CDCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H](C)OC ZINC000819696357 930834511 /nfs/dbraw/zinc/83/45/11/930834511.db2.gz QQEWABYXZSDWQI-LLVKDONJSA-N 0 0 295.335 1.319 20 10 CDCDRN Cc1ccc(C(=O)N2CC[C@@H](c3nnc[nH]3)C2)c(O)c1O ZINC000819725186 930839185 /nfs/dbraw/zinc/83/91/85/930839185.db2.gz TVCXRMFKMLTDNI-SECBINFHSA-N 0 0 288.307 1.154 20 10 CDCDRN CN(C(=O)/C=C/c1ccc(O)c(O)c1)c1cn[nH]c1 ZINC001116501878 937451713 /nfs/dbraw/zinc/45/17/13/937451713.db2.gz IQOWYGSHGLUZMV-HWKANZROSA-N 0 0 259.265 1.497 20 10 CDCDRN C[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1c([O-])cccc1F ZINC000886516678 930898858 /nfs/dbraw/zinc/89/88/58/930898858.db2.gz TVPVXKGMVOTBCL-VHSXEESVSA-N 0 0 264.304 1.862 20 10 CDCDRN CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886629730 930926939 /nfs/dbraw/zinc/92/69/39/930926939.db2.gz MHFYURDNVQAAGB-HLUHBDAQSA-N 0 0 255.289 1.596 20 10 CDCDRN CCC1(CC)CNC(=O)[C@@H]1NC(=O)c1cccc(O)c1O ZINC000886727042 930946882 /nfs/dbraw/zinc/94/68/82/930946882.db2.gz ZIBLSTGAKRPPFF-LBPRGKRZSA-N 0 0 292.335 1.132 20 10 CDCDRN O=C(c1cccc(O)c1O)N1CCOc2ncccc2C1 ZINC001153740442 937465118 /nfs/dbraw/zinc/46/51/18/937465118.db2.gz MBVHQACZKDGPOV-UHFFFAOYSA-N 0 0 286.287 1.528 20 10 CDCDRN O=C(NCc1cc(O)ccc1O)c1cccc(=O)[nH]1 ZINC001153884988 937480219 /nfs/dbraw/zinc/48/02/19/937480219.db2.gz IOEZERRRHFMVLL-UHFFFAOYSA-N 0 0 260.249 1.128 20 10 CDCDRN CC(C)n1cnc(C(=O)NCc2cc(O)ccc2O)c1 ZINC001153885358 937480877 /nfs/dbraw/zinc/48/08/77/937480877.db2.gz MIDIAFZIWNJRMV-UHFFFAOYSA-N 0 0 275.308 1.805 20 10 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O=C(Cc1ccc(O)c(O)c1)N1CC[C@](O)(C2CC2)C1 ZINC001155814557 937676748 /nfs/dbraw/zinc/67/67/48/937676748.db2.gz SMQRDBSADIHQAX-OAHLLOKOSA-N 0 0 277.320 1.014 20 10 CDCDRN C[C@@](O)(CNC(=O)/C=C\c1ccc(O)c(O)c1)C1CC1 ZINC000779525084 934594652 /nfs/dbraw/zinc/59/46/52/934594652.db2.gz IIUCLIFVDLREAW-YFUKIHRRSA-N 0 0 277.320 1.388 20 10 CDCDRN O=C(/C=C\c1ccc(O)c(O)c1)NOCC(F)(F)F ZINC000779534434 934600230 /nfs/dbraw/zinc/60/02/30/934600230.db2.gz QKWANKBIUJGWLI-RQOWECAXSA-N 0 0 277.198 1.721 20 10 CDCDRN C[C@]1(NC(=O)/C=C\c2ccc(O)c(O)c2)CCCOC1 ZINC000779546643 934606740 /nfs/dbraw/zinc/60/67/40/934606740.db2.gz ZLBGXKNBJUQUCK-VOKGJARPSA-N 0 0 277.320 1.796 20 10 CDCDRN Cc1cnn(CCC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000080210894 934680046 /nfs/dbraw/zinc/68/00/46/934680046.db2.gz HWIJSLBEBXDOSK-UHFFFAOYSA-N 0 0 286.379 1.964 20 10 CDCDRN Nc1ccc(CNC(=O)NC[C@@H]2CCSC2)cc1 ZINC001120532749 937807208 /nfs/dbraw/zinc/80/72/08/937807208.db2.gz LYKSVVGGXGTCJP-NSHDSACASA-N 0 0 265.382 1.821 20 10 CDCDRN 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Cc1cn(C(C)(C)C(=O)NCc2c(O)cccc2O)cn1 ZINC001156886032 938428819 /nfs/dbraw/zinc/42/88/19/938428819.db2.gz RWKPFYNZUSTWAN-UHFFFAOYSA-N 0 0 289.335 1.654 20 10 CDCDRN C[C@@H]1C(=O)Nc2ncnc(NCc3ccc(O)c(O)c3)c21 ZINC001158995688 938685730 /nfs/dbraw/zinc/68/57/30/938685730.db2.gz LOLGMMHMICADQF-ZETCQYMHSA-N 0 0 286.291 1.556 20 10 CDCDRN O=C(c1ccc(Cl)nn1)N1Cc2cccc(O)c2C1 ZINC001161747658 938929447 /nfs/dbraw/zinc/92/94/47/938929447.db2.gz KNEFBEZNZHUSJO-UHFFFAOYSA-N 0 0 275.695 1.992 20 10 CDCDRN Cc1ccc(CC(=O)NCc2ccc(O)cc2O)cn1 ZINC001162278767 938970393 /nfs/dbraw/zinc/97/03/93/938970393.db2.gz LRWHAFDDOPPPJQ-UHFFFAOYSA-N 0 0 272.304 1.660 20 10 CDCDRN COc1ccc(CN(C)Cc2noc(C)n2)c(O)c1 ZINC001203620773 939697059 /nfs/dbraw/zinc/69/70/59/939697059.db2.gz HYUCJIPSRGLNJU-UHFFFAOYSA-N 0 0 263.297 1.724 20 10 CDCDRN CS(=O)(=O)C1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203882652 939711742 /nfs/dbraw/zinc/71/17/42/939711742.db2.gz PDMKPJBJASBGPS-UHFFFAOYSA-N 0 0 285.365 1.107 20 10 CDCDRN 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CDCDRN COc1c([O-])c(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000278493250 521871839 /nfs/dbraw/zinc/87/18/39/521871839.db2.gz LVJXPPUCEBUEJT-NXEZZACHSA-N 0 0 296.323 1.512 20 10 CDCDRN COc1c(O)c(CN2CCO[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000278332731 521872682 /nfs/dbraw/zinc/87/26/82/521872682.db2.gz ZMSCFTYSRAHOOR-ZJUUUORDSA-N 0 0 296.323 1.918 20 10 CDCDRN COc1c([O-])c(C[NH2+][C@@H](C)CCO)ccc1[N+](=O)[O-] ZINC000278493169 521879371 /nfs/dbraw/zinc/87/93/71/521879371.db2.gz LRQZBEBOECEXCJ-QMMMGPOBSA-N 0 0 270.285 1.170 20 10 CDCDRN CON(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000108770986 523287504 /nfs/dbraw/zinc/28/75/04/523287504.db2.gz XQKUUUPAYIBCMI-VMPITWQZSA-N 0 0 276.336 1.556 20 10 CDCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC1(F)F ZINC000295771342 524698770 /nfs/dbraw/zinc/69/87/70/524698770.db2.gz PVMMSSKXIUGFMI-APPZFPTMSA-N 0 0 271.263 1.800 20 10 CDCDRN C[C@@H](CO)CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000265852364 524773291 /nfs/dbraw/zinc/77/32/91/524773291.db2.gz 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CC(C)Oc1ccc(N(C)Cc2nc(=O)n(C)[nH]2)cc1 ZINC000759933867 576445344 /nfs/dbraw/zinc/44/53/44/576445344.db2.gz RNFOOUGMKFGDRF-UHFFFAOYSA-N 0 0 276.340 1.532 20 10 CDCDRN COC(=O)N[C@@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000761973511 576609355 /nfs/dbraw/zinc/60/93/55/576609355.db2.gz QWXRSQULUUBCCZ-IUCAKERBSA-N 0 0 296.323 1.323 20 10 CDCDRN O=C(Cn1ccsc1=O)c1ccc(O)c(O)c1 ZINC000746643467 576787672 /nfs/dbraw/zinc/78/76/72/576787672.db2.gz JULJFRQGLXAUFM-UHFFFAOYSA-N 0 0 251.263 1.204 20 10 CDCDRN CN(C[C@@H]1CCC[C@H]1O)C(=O)C1=CC(=O)CS1 ZINC000755329580 576940332 /nfs/dbraw/zinc/94/03/32/576940332.db2.gz VOECQLRRGIPSKY-WCBMZHEXSA-N 0 0 255.339 1.687 20 10 CDCDRN C[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccc(F)cc1[O-] ZINC000756639769 576998205 /nfs/dbraw/zinc/99/82/05/576998205.db2.gz CXVJOCMNTIEPJB-VIFPVBQESA-N 0 0 289.310 1.876 20 10 CDCDRN Cc1noc(C)c1C(=O)COC(=O)c1cccc(O)c1O ZINC000758548174 577116280 /nfs/dbraw/zinc/11/62/80/577116280.db2.gz PVPYRNGWQPBUEQ-UHFFFAOYSA-N 0 0 291.259 1.742 20 10 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297.326 1.316 20 10 CDCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCCCN1C ZINC000935946270 617598248 /nfs/dbraw/zinc/59/82/48/617598248.db2.gz CXKZTZXEKRLKFZ-LBPRGKRZSA-N 0 0 297.395 1.978 20 10 CDCDRN C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000840999134 620755549 /nfs/dbraw/zinc/75/55/49/620755549.db2.gz CJVHEUAKYIXIOF-GXFFZTMASA-N 0 0 275.352 1.902 20 10 CDCDRN CC1(C)C[N@H+](Cc2cc(F)cc(F)c2[O-])C[C@H]1O ZINC000894597082 618987024 /nfs/dbraw/zinc/98/70/24/618987024.db2.gz URKOWIAIBOXOMF-LLVKDONJSA-N 0 0 257.280 1.873 20 10 CDCDRN COc1ccc(CN2CC[C@H](F)C2)c(O)c1OC ZINC000894670258 619010477 /nfs/dbraw/zinc/01/04/77/619010477.db2.gz FIEGQHUSUBZNQD-JTQLQIEISA-N 0 0 255.289 1.953 20 10 CDCDRN COc1cc(O)c(CN[C@H](C)c2nnc(C)[nH]2)cc1OC ZINC000894771986 619047875 /nfs/dbraw/zinc/04/78/75/619047875.db2.gz CSEUKNSVSYLBIG-MRVPVSSYSA-N 0 0 292.339 1.687 20 10 CDCDRN COc1c(O)c(CN2CCO[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000895968204 619926613 /nfs/dbraw/zinc/92/66/13/619926613.db2.gz 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1162334774 /nfs/dbraw/zinc/33/47/74/1162334774.db2.gz GAGDEBFVKLPIAH-UHFFFAOYSA-N 0 0 262.240 1.927 20 10 CDCDRN O=C(CNc1ccc2nccnc2n1)c1ccc(O)c(O)c1 ZINC001170314189 1162334989 /nfs/dbraw/zinc/33/49/89/1162334989.db2.gz RKMYTMMPSZFXJC-UHFFFAOYSA-N 0 0 296.286 1.104 20 10 CDCDRN Cn1cnc2ccc(NCC(=O)c3ccc(O)c(O)c3)nc21 ZINC001170316895 1162335537 /nfs/dbraw/zinc/33/55/37/1162335537.db2.gz UKDCKEKSXPULMR-UHFFFAOYSA-N 0 0 298.302 1.674 20 10 CDCDRN O=C(CNc1cnc2[nH]ccc2n1)c1ccc(O)c(O)c1 ZINC001170321657 1162336795 /nfs/dbraw/zinc/33/67/95/1162336795.db2.gz BXBDGABZBQEZPB-UHFFFAOYSA-N 0 0 284.275 1.664 20 10 CDCDRN Cc1cc(NCC(=O)c2ccc(O)c(O)c2)cn(C)c1=O ZINC001170322154 1162336836 /nfs/dbraw/zinc/33/68/36/1162336836.db2.gz FVTWUNXSUTVZNB-UHFFFAOYSA-N 0 0 288.303 1.400 20 10 CDCDRN CCC[C@H](O)CC(=O)NCc1ccc(OC)cc1O ZINC000794374650 1162469024 /nfs/dbraw/zinc/46/90/24/1162469024.db2.gz XHMFKZACUTUTQD-NSHDSACASA-N 0 0 267.325 1.568 20 10 CDCDRN COc1ccc(CNC(=O)c2ccn(C)c2)c(O)c1 ZINC000794380629 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/nfs/dbraw/zinc/94/71/00/618947100.db2.gz XSCGLRUSTLZYDO-PRHODGIISA-N 0 0 257.280 1.873 20 10 CDCDRN COc1cc(O)c(CN[C@@H](C)c2nnc(C)[nH]2)cc1OC ZINC000894771987 619047648 /nfs/dbraw/zinc/04/76/48/619047648.db2.gz CSEUKNSVSYLBIG-QMMMGPOBSA-N 0 0 292.339 1.687 20 10 CDCDRN CN1C(=O)C(=Cc2ccc(Cl)nc2)C(=O)N(C)C1=O ZINC000748998907 619239548 /nfs/dbraw/zinc/23/95/48/619239548.db2.gz IIXUDOODPPPGBF-UHFFFAOYSA-N 0 0 279.683 1.169 20 10 CDCDRN C[C@H]1C[C@H](NC(=O)N(C)Cc2ccccc2O)C(=O)O1 ZINC000896332343 620059261 /nfs/dbraw/zinc/05/92/61/620059261.db2.gz MVADYYGHXLUCHY-ONGXEEELSA-N 0 0 278.308 1.238 20 10 CDCDRN CCC[C@@H](NCc1cc2c(cc1O)OCO2)C(=O)OC ZINC000897835582 621154225 /nfs/dbraw/zinc/15/42/25/621154225.db2.gz PAJVMKHOFSPAKR-SNVBAGLBSA-N 0 0 281.308 1.552 20 10 CDCDRN O=C(NCc1ccccc1O)c1cnc(C2CC2)[nH]c1=O ZINC000901123158 623880455 /nfs/dbraw/zinc/88/04/55/623880455.db2.gz IJYGDTSWCSPMNZ-UHFFFAOYSA-N 0 0 285.303 1.695 20 10 CDCDRN COc1ccc(O)c(CNC(=O)c2cnc(C)n2C)c1 ZINC000901133132 623891224 /nfs/dbraw/zinc/89/12/24/623891224.db2.gz SLMLQNVNFDFLQS-UHFFFAOYSA-N 0 0 275.308 1.373 20 10 CDCDRN COc1cccc(O)c1C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000904429555 626291042 /nfs/dbraw/zinc/29/10/42/626291042.db2.gz KOYACHZQKXXERU-NWDGAFQWSA-N 0 0 291.347 1.943 20 10 CDCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12 ZINC000907274135 627579033 /nfs/dbraw/zinc/57/90/33/627579033.db2.gz PNFQVYWPFGEQMY-RMQCSFIASA-N 0 0 289.331 1.370 20 10 CDCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCCNC(=O)C1CC1 ZINC000909088657 628507711 /nfs/dbraw/zinc/50/77/11/628507711.db2.gz LBKBINGOGUBVDL-QHHAFSJGSA-N 0 0 291.303 1.180 20 10 CDCDRN COCCC[C@@H](C)C(=O)NCc1ccc(O)cc1O ZINC000910949993 629115049 /nfs/dbraw/zinc/11/50/49/629115049.db2.gz RSGDRZKOYADWMI-SNVBAGLBSA-N 0 0 267.325 1.777 20 10 CDCDRN COCC1(C(=O)NCc2ccc(O)cc2O)CCCC1 ZINC000910943430 629125115 /nfs/dbraw/zinc/12/51/15/629125115.db2.gz CJXRPOMOILLZBZ-UHFFFAOYSA-N 0 0 279.336 1.921 20 10 CDCDRN CCc1nc(C)c(C(=O)NCc2ccc(O)cc2O)o1 ZINC000910945456 629126446 /nfs/dbraw/zinc/12/64/46/629126446.db2.gz WRWJHEMDACMTSY-UHFFFAOYSA-N 0 0 276.292 1.887 20 10 CDCDRN CO[C@H](C(=O)NCc1ccc(O)cc1O)C(C)C ZINC000910947662 629126944 /nfs/dbraw/zinc/12/69/44/629126944.db2.gz JAXVGUXEKYDVHS-LBPRGKRZSA-N 0 0 253.298 1.385 20 10 CDCDRN Cc1cc(CCC(=O)NCCc2ccc(N)cc2)no1 ZINC000911783060 629500247 /nfs/dbraw/zinc/50/02/47/629500247.db2.gz PLMJIUYNVKVMDR-UHFFFAOYSA-N 0 0 273.336 1.857 20 10 CDCDRN CN(C)c1ccc(CNC(=O)O[C@H]2CCOC2)cc1F ZINC000914013971 630960348 /nfs/dbraw/zinc/96/03/48/630960348.db2.gz IPWDDPYVGVPAJM-NSHDSACASA-N 0 0 282.315 1.907 20 10 CDCDRN COc1ccc(O)c(CNC(=O)c2c(C)nn(C)c2C)c1 ZINC000153918170 631949355 /nfs/dbraw/zinc/94/93/55/631949355.db2.gz YJCVLWFSEIAWIF-UHFFFAOYSA-N 0 0 289.335 1.681 20 10 CDCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2COC[C@@H]2C)c1 ZINC000918745420 632437697 /nfs/dbraw/zinc/43/76/97/632437697.db2.gz KGKXVGDQFVVLLK-JOYOIKCWSA-N 0 0 280.324 1.235 20 10 CDCDRN CCOC(=O)/C(=C\c1cccnc1)c1nccn1C ZINC000920070535 632720335 /nfs/dbraw/zinc/72/03/35/632720335.db2.gz UBTJSBCTGSZKRT-XFXZXTDPSA-N 0 0 257.293 1.919 20 10 CDCDRN O=C(CNc1c[n+]([O-])ccc1Cl)c1ccc(O)c(O)c1 ZINC001170322953 1162336738 /nfs/dbraw/zinc/33/67/38/1162336738.db2.gz PPDJANCQMVELHH-UHFFFAOYSA-N 0 0 294.694 1.679 20 10 CDCDRN Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3)c(O)c1O ZINC000792811981 1162367308 /nfs/dbraw/zinc/36/73/08/1162367308.db2.gz IIQXKSSGUNAAIP-UHFFFAOYSA-N 0 0 298.298 1.902 20 10 CDCDRN COc1ccc(CNC(=O)NOC[C@@H]2CCOC2)c(O)c1 ZINC000793072928 1162389920 /nfs/dbraw/zinc/38/99/20/1162389920.db2.gz FFWISFZSODRAJT-SNVBAGLBSA-N 0 0 296.323 1.168 20 10 CDCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC1OCCCO1 ZINC000793800230 1162443275 /nfs/dbraw/zinc/44/32/75/1162443275.db2.gz QSDSDJFTBZGHGJ-JTQLQIEISA-N 0 0 295.335 1.298 20 10 CDCDRN COc1ccc(CNC(=O)c2nccn3ccnc23)c(O)c1 ZINC000794378644 1162468844 /nfs/dbraw/zinc/46/88/44/1162468844.db2.gz AKIJKJXGSNKMFU-UHFFFAOYSA-N 0 0 298.302 1.374 20 10 CDCDRN CCc1c(C(=O)NCc2ccc(OC)cc2O)cnn1C ZINC000794377447 1162468899 /nfs/dbraw/zinc/46/88/99/1162468899.db2.gz OFFIWFYSMCCLSO-UHFFFAOYSA-N 0 0 289.335 1.627 20 10 CDCDRN COC(=O)C[C@@H](C)C(=O)NCc1ccc(OC)cc1O ZINC000794382223 1162469881 /nfs/dbraw/zinc/46/98/81/1162469881.db2.gz ZRBRWBOUPIDUQQ-SECBINFHSA-N 0 0 281.308 1.216 20 10 CDCDRN C[C@@H]1CSC[C@H]1NC(=O)NCc1ccccc1O ZINC000805790559 1162613069 /nfs/dbraw/zinc/61/30/69/1162613069.db2.gz BDQJMFNMVYOJCA-MWLCHTKSSA-N 0 0 266.366 1.943 20 10 CDCDRN O=C(NCc1nnc(C2CC2)o1)C1=CC(=O)CS1 ZINC000807279185 1162743784 /nfs/dbraw/zinc/74/37/84/1162743784.db2.gz IQGWKQGVVKXGSM-UHFFFAOYSA-N 0 0 265.294 1.644 20 10 CDCDRN COC(=O)N1CCC(CNC(=O)C2=CC(=O)CS2)CC1 ZINC000807724180 1162773233 /nfs/dbraw/zinc/77/32/33/1162773233.db2.gz ZTVGOYIRPWZWJP-UHFFFAOYSA-N 0 0 298.364 1.662 20 10 CDCDRN CC(=O)C(=O)COC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000808487954 1162859501 /nfs/dbraw/zinc/85/95/01/1162859501.db2.gz WJJMKJDQVPRKDF-UHFFFAOYSA-N 0 0 273.244 1.255 20 10 CDCDRN CC(=O)C(=O)COC(=O)CCC(=O)c1cccs1 ZINC000808488731 1162859785 /nfs/dbraw/zinc/85/97/85/1162859785.db2.gz NELVCWQIJHCPLU-UHFFFAOYSA-N 0 0 268.290 1.412 20 10 CDCDRN Cc1ccc(N(C)C(=O)/C=C\c2cnn(C)c2)nc1 ZINC000809347088 1162992495 /nfs/dbraw/zinc/99/24/95/1162992495.db2.gz VQRLKBZPVNPPNG-ALCCZGGFSA-N 0 0 256.309 1.800 20 10 CDCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001142509029 1160688978 /nfs/dbraw/zinc/68/89/78/1160688978.db2.gz URKLVHMUEPGVFN-PELKAZGASA-N 0 0 261.243 1.575 20 10 CDCDRN CO[C@@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841956276 1160689263 /nfs/dbraw/zinc/68/92/63/1160689263.db2.gz AKFFVEYFTGBCCQ-CQSZACIVSA-N 0 0 277.368 1.632 20 10 CDCDRN COc1ccc(O)c([C@@H](C)NCc2ncn(C)n2)c1 ZINC000230670181 1161045581 /nfs/dbraw/zinc/04/55/81/1161045581.db2.gz JOEYRDLDLRGEEY-SECBINFHSA-N 0 0 262.313 1.380 20 10 CDCDRN O=C(c1cccc(O)c1O)N1C[C@H](O)Cc2ccccc21 ZINC000790157249 1162130584 /nfs/dbraw/zinc/13/05/84/1162130584.db2.gz RMUPRRMFRMLYMQ-LLVKDONJSA-N 0 0 285.299 1.662 20 10 CDCDRN O=C(NCc1cccc(F)n1)c1cccc(O)c1O ZINC000790902582 1162176729 /nfs/dbraw/zinc/17/67/29/1162176729.db2.gz XYSDHWRFURXGJC-UHFFFAOYSA-N 0 0 262.240 1.562 20 10 CDCDRN COc1cccc(O)c1CN1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000792193624 1162267327 /nfs/dbraw/zinc/26/73/27/1162267327.db2.gz ZBXCKUJQPYFLQS-QWRGUYRKSA-N 0 0 283.393 1.742 20 10 CDCDRN O=C(N[C@H]1COc2ccccc2[C@@H]1O)C1=CC(=O)CS1 ZINC000811575632 1163499677 /nfs/dbraw/zinc/49/96/77/1163499677.db2.gz NVNSOTCEHGAGKX-GWCFXTLKSA-N 0 0 291.328 1.678 20 10 CDCDRN O=C(N[C@@H](CO)C1CCCC1)C1=CC(=O)CS1 ZINC000812376473 1163620573 /nfs/dbraw/zinc/62/05/73/1163620573.db2.gz UTWJFJKNIHRWFM-JTQLQIEISA-N 0 0 255.339 1.735 20 10 CDCDRN CC(C)(C)N1CC[C@@H](NC(=O)c2cccc(O)c2O)C1=O ZINC000843939924 1164243814 /nfs/dbraw/zinc/24/38/14/1164243814.db2.gz PPUKGWULYJTPQQ-SNVBAGLBSA-N 0 0 292.335 1.227 20 10 CDCDRN Nc1ccc(OCc2cn([C@@H]3CCC[C@H]3O)nn2)cc1 ZINC000864621574 1164564458 /nfs/dbraw/zinc/56/44/58/1164564458.db2.gz PVNWUMGXGAGFOY-ZIAGYGMSSA-N 0 0 274.324 1.525 20 10 CDCDRN Nc1ccc(OCc2cn(C[C@H]3CCC(=O)O3)nn2)cc1 ZINC000864627448 1164565027 /nfs/dbraw/zinc/56/50/27/1164565027.db2.gz FUSICKMHAYDHHW-CYBMUJFWSA-N 0 0 288.307 1.145 20 10 CDCDRN Nc1ccc(OCc2cn(C[C@@H]3CCC(=O)O3)nn2)cc1 ZINC000864627449 1164565302 /nfs/dbraw/zinc/56/53/02/1164565302.db2.gz FUSICKMHAYDHHW-ZDUSSCGKSA-N 0 0 288.307 1.145 20 10 CDCDRN CN(Cc1ccccc1O)C(=O)c1ccc(C=O)[nH]1 ZINC000120264441 1164588673 /nfs/dbraw/zinc/58/86/73/1164588673.db2.gz LDIBIVXKSPTZTM-UHFFFAOYSA-N 0 0 258.277 1.805 20 10 CDCDRN O=C(N[C@H]1CCc2n[nH]cc2C1)c1c(F)ccc(O)c1O ZINC000825826466 1165771687 /nfs/dbraw/zinc/77/16/87/1165771687.db2.gz COFHZJHHPMFVOT-QMMMGPOBSA-N 0 0 291.282 1.247 20 10 CDCDRN Cc1nn(C)c(C)c1C(=O)NCc1ccc(N)cc1 ZINC000037666308 1165783183 /nfs/dbraw/zinc/78/31/83/1165783183.db2.gz AAKWNXDPZKQURQ-UHFFFAOYSA-N 0 0 258.325 1.549 20 10 CDCDRN CCn1cc(NC(=O)Cc2ccc(N)cc2)ccc1=O ZINC000037765943 1165790263 /nfs/dbraw/zinc/79/02/63/1165790263.db2.gz MZZGTPVTDPTPEJ-UHFFFAOYSA-N 0 0 271.320 1.632 20 10 CDCDRN COCCN(CC(=O)OC)Cc1ccc(C)cc1O ZINC000876735638 1165905937 /nfs/dbraw/zinc/90/59/37/1165905937.db2.gz AIAVXMDYZAOUNX-UHFFFAOYSA-N 0 0 267.325 1.322 20 10 CDCDRN CN(C(=O)[C@@H]1CCCN1C(=O)C1CC1)c1ccc(N)cc1 ZINC000877076964 1165970987 /nfs/dbraw/zinc/97/09/87/1165970987.db2.gz YSTUKJKGOUYSJU-AWEZNQCLSA-N 0 0 287.363 1.633 20 10 CDCDRN C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C(=O)NCCF ZINC000883112527 1166485828 /nfs/dbraw/zinc/48/58/28/1166485828.db2.gz OYTOTLFXZJSUSE-ZETCQYMHSA-N 0 0 276.258 1.234 20 10 CDCDRN Cc1ocnc1CNC(=O)c1ccc(C)c(O)c1O ZINC000780996447 1167006028 /nfs/dbraw/zinc/00/60/28/1167006028.db2.gz FFBUGHFWWJZVDC-UHFFFAOYSA-N 0 0 262.265 1.633 20 10 CDCDRN COc1ccc(CNC(=O)c2ncc(Cl)cn2)c(O)c1 ZINC001155574872 1167236442 /nfs/dbraw/zinc/23/64/42/1167236442.db2.gz PPFRDUVABPHHHL-UHFFFAOYSA-N 0 0 293.710 1.774 20 10 CDCDRN Cn1cnc(/C=C\C(=O)N2CCCc3cc(N)ccc32)c1 ZINC001579982883 1172316335 /nfs/dbraw/zinc/31/63/35/1172316335.db2.gz XWRRGHNIECMXPU-ALCCZGGFSA-N 0 0 282.347 1.995 20 10 CDCDRN Nc1ccc(CNC(=O)CNC(=O)c2cccc(O)c2)cc1 ZINC001580443540 1172438008 /nfs/dbraw/zinc/43/80/08/1172438008.db2.gz ORYLWJYVHCIJFG-UHFFFAOYSA-N 0 0 299.330 1.021 20 10 CDCDRN Nc1ncc(CCC(=O)NCc2ccc(O)c(O)c2)s1 ZINC001580472610 1172446476 /nfs/dbraw/zinc/44/64/76/1172446476.db2.gz PVSLGBVXLIZFFG-UHFFFAOYSA-N 0 0 293.348 1.386 20 10 CDCDRN Oc1cccc(F)c1CNc1ncncc1-c1nn[nH]n1 ZINC001593539688 1174112132 /nfs/dbraw/zinc/11/21/32/1174112132.db2.gz COMIEQGLBNGBRA-UHFFFAOYSA-N 0 0 287.258 1.114 20 10 CDCDRN