smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(C(=O)[O-])ccc2c1N[C@H](c1cccc(C(F)(F)F)c1)[C@H]1CC=C[C@@H]21 ZINC000000654992 219310449 /nfs/dbraw/zinc/31/04/49/219310449.db2.gz OBZCGXZLOPIXLW-JTDSTZFVSA-N -1 0 373.374 5.539 50 10 FKCARM COc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccc3ccccc3c2)cc1 ZINC000000659984 219310006 /nfs/dbraw/zinc/31/00/06/219310006.db2.gz RQWZTENWYFUBBZ-UHFFFAOYSA-N -1 0 371.436 5.323 50 10 FKCARM O=C([O-])c1ccc([C@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000000871776 570462298 /nfs/dbraw/zinc/46/22/98/570462298.db2.gz IQZKBDLGUPNMAH-JJRVBVJISA-N -1 0 360.240 5.518 50 10 FKCARM CC(C)c1ccc(-c2csc(Nc3ccc(O)c(C(=O)[O-])c3)n2)cc1 ZINC000000955926 219346523 /nfs/dbraw/zinc/34/65/23/219346523.db2.gz YFJJMKZPVFSSLZ-UHFFFAOYSA-N -1 0 354.431 5.081 50 10 FKCARM O=C([O-])c1cc(-c2ccccc2)sc1NC(=O)c1ccccc1Cl ZINC000000978497 206851404 /nfs/dbraw/zinc/85/14/04/206851404.db2.gz PTYRUEUDMCVXIR-UHFFFAOYSA-N -1 0 357.818 5.019 50 10 FKCARM Cc1c(C(=O)[O-])ccc2c1N[C@H](c1cccc3ccccc31)[C@H]1CC=C[C@@H]21 ZINC000000979384 209384480 /nfs/dbraw/zinc/38/44/80/209384480.db2.gz RLKBAZOHUJINDI-QMHWCDLVSA-N -1 0 355.437 5.673 50 10 FKCARM O=C([O-])CCc1ccc(-c2ccccc2)n1-c1ccccc1C(F)(F)F ZINC000001004421 571143139 /nfs/dbraw/zinc/14/31/39/571143139.db2.gz CSOCSHPBSIEBIU-UHFFFAOYSA-N -1 0 359.347 5.180 50 10 FKCARM COc1ccc2c(c1)N[C@@H](c1cc(Cl)cc(Cl)c1[O-])c1cccn1-2 ZINC000001048225 203977339 /nfs/dbraw/zinc/97/73/39/203977339.db2.gz AZAAJXXNBUHUDE-KRWDZBQOSA-N -1 0 361.228 5.013 50 10 FKCARM COc1ccc2c(c1)N[C@H](c1cc(Cl)cc(Cl)c1[O-])c1cccn1-2 ZINC000001048226 219358881 /nfs/dbraw/zinc/35/88/81/219358881.db2.gz AZAAJXXNBUHUDE-QGZVFWFLSA-N -1 0 361.228 5.013 50 10 FKCARM O=C([O-])CCc1ccc(-c2cccs2)n1-c1ccccc1C(F)(F)F ZINC000001072302 570478940 /nfs/dbraw/zinc/47/89/40/570478940.db2.gz NYHRIYVAMRNIMV-UHFFFAOYSA-N -1 0 365.376 5.242 50 10 FKCARM Cc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccccc2C(F)(F)F)cc1 ZINC000001072803 210312597 /nfs/dbraw/zinc/31/25/97/210312597.db2.gz HLKFFDZBUBMBKO-UHFFFAOYSA-N -1 0 373.374 5.489 50 10 FKCARM O=C([O-])CCc1ccc(-c2cccs2)n1-c1cc(Cl)ccc1Cl ZINC000001075793 219365069 /nfs/dbraw/zinc/36/50/69/219365069.db2.gz UWXCADKAXSYGFR-UHFFFAOYSA-N -1 0 366.269 5.530 50 10 FKCARM O=C([O-])CCc1ccc(-c2cccs2)n1-c1ccc(Cl)c(Cl)c1 ZINC000001075794 219365394 /nfs/dbraw/zinc/36/53/94/219365394.db2.gz JYUGWUMYERKKFA-UHFFFAOYSA-N -1 0 366.269 5.530 50 10 FKCARM CC(C)n1c2ccccc2nc1NCc1cc(Cl)cc(Cl)c1[O-] ZINC000001131833 570482925 /nfs/dbraw/zinc/48/29/25/570482925.db2.gz KDISSSAFZAOCCM-UHFFFAOYSA-N -1 0 350.249 5.242 50 10 FKCARM O=C([O-])CCc1ccc(-c2ccc(Cl)cc2)n1CCc1ccccc1 ZINC000001147821 203987530 /nfs/dbraw/zinc/98/75/30/203987530.db2.gz VESUYIKKSPJTDJ-UHFFFAOYSA-N -1 0 353.849 5.068 50 10 FKCARM Cc1ccc(-c2ccc(CCC(=O)[O-])n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000001150743 570484428 /nfs/dbraw/zinc/48/44/28/570484428.db2.gz BFYSFCGZWXWMNF-UHFFFAOYSA-N -1 0 373.374 5.489 50 10 FKCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2 ZINC000001188566 210331891 /nfs/dbraw/zinc/33/18/91/210331891.db2.gz PNARUOLTJDSYIV-SOZUMNATSA-N -1 0 360.240 5.518 50 10 FKCARM CCCn1c2ccccc2nc1NCc1cc(Cl)cc(Cl)c1[O-] ZINC000001250191 210339417 /nfs/dbraw/zinc/33/94/17/210339417.db2.gz BRVPYQFSACBCQU-UHFFFAOYSA-N -1 0 350.249 5.071 50 10 FKCARM Oc1c([C@H](Nc2cccc(Cl)c2)c2cccnc2)ccc2cccnc21 ZINC000001463263 570501029 /nfs/dbraw/zinc/50/10/29/570501029.db2.gz STPHITWWERDACK-LJQANCHMSA-N -1 0 361.832 5.190 50 10 FKCARM CCCCN(CCC(=O)[O-])c1ccc(/C=C/c2ccnc3ccccc23)cc1 ZINC000001600576 571160535 /nfs/dbraw/zinc/16/05/35/571160535.db2.gz YJLFPXQJCSLPSB-DHZHZOJOSA-N -1 0 374.484 5.486 50 10 FKCARM COc1ccc(Cl)cc1-n1c(CCC(=O)[O-])ccc1-c1ccc(C)cc1 ZINC000002251728 204030507 /nfs/dbraw/zinc/03/05/07/204030507.db2.gz DSIRWPHJNNKHNE-UHFFFAOYSA-N -1 0 369.848 5.132 50 10 FKCARM CN(C)c1ccc(-c2nc3c(o2)c(O)c(C(C)(C)C)cc3C(C)(C)C)cc1 ZINC000002268261 570518131 /nfs/dbraw/zinc/51/81/31/570518131.db2.gz CKSPANINKYQXGV-UHFFFAOYSA-N -1 0 366.505 5.861 50 10 FKCARM [O-]c1c(Br)cc2oc3c(c2c1CNc1ccccc1)CCCC3 ZINC000003147806 204079962 /nfs/dbraw/zinc/07/99/62/204079962.db2.gz NCSGGJZMQVTIBH-UHFFFAOYSA-N -1 0 372.262 5.392 50 10 FKCARM CC(C)c1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(Cl)cc2)cc1 ZINC000003296196 204088323 /nfs/dbraw/zinc/08/83/23/204088323.db2.gz XRSGUMIXXOOLQS-UHFFFAOYSA-N -1 0 367.876 5.938 50 10 FKCARM CC(=O)c1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(Cl)cc2)cc1 ZINC000003634695 219523057 /nfs/dbraw/zinc/52/30/57/219523057.db2.gz BZIWDVLPWHNQNY-UHFFFAOYSA-N -1 0 367.832 5.018 50 10 FKCARM COc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccc(Cl)cc2C)cc1 ZINC000003672678 210494289 /nfs/dbraw/zinc/49/42/89/210494289.db2.gz UQZJKGGCIWLCEQ-UHFFFAOYSA-N -1 0 369.848 5.132 50 10 FKCARM COc1ccc(-c2ccc(CCC(=O)[O-])n2-c2cc(Cl)ccc2C)cc1 ZINC000003672679 570567720 /nfs/dbraw/zinc/56/77/20/570567720.db2.gz LTBIUTJAWWNQSR-UHFFFAOYSA-N -1 0 369.848 5.132 50 10 FKCARM C[C@@H]1Cc2c(C(=O)[O-])c3ccccc3nc2/C(=C/c2ccc(N(C)C)cc2)C1 ZINC000003885954 570570031 /nfs/dbraw/zinc/57/00/31/570570031.db2.gz UQRGKXSRIBANQM-JEFCNZTNSA-N -1 0 372.468 5.122 50 10 FKCARM C[C@H]1Cc2c(C(=O)[O-])c3ccccc3nc2/C(=C/c2ccc(N(C)C)cc2)C1 ZINC000003885955 570570373 /nfs/dbraw/zinc/57/03/73/570570373.db2.gz UQRGKXSRIBANQM-PWVLXBNSSA-N -1 0 372.468 5.122 50 10 FKCARM CCCCN(CCCC)c1ccc(/N=N/c2ccccc2C(=O)[O-])cc1 ZINC000003896216 571171719 /nfs/dbraw/zinc/17/17/19/571171719.db2.gz BEZWHRTXEQHKHI-GHVJWSGMSA-N -1 0 353.466 6.207 50 10 FKCARM Cc1c(C(=O)[O-])ccc2c1N[C@H](c1cccc3ccccc31)[C@H]1CC=C[C@H]21 ZINC000003904803 571353099 /nfs/dbraw/zinc/35/30/99/571353099.db2.gz RLKBAZOHUJINDI-GREBRCKQSA-N -1 0 355.437 5.673 50 10 FKCARM Cc1c(C(=O)[O-])ccc2c1N[C@H](c1cccc3ccccc31)[C@@H]1CC=C[C@H]21 ZINC000003904805 571353111 /nfs/dbraw/zinc/35/31/11/571353111.db2.gz RLKBAZOHUJINDI-JXHRLWIKSA-N -1 0 355.437 5.673 50 10 FKCARM O=C([O-])/C=C/c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000004017462 571203985 /nfs/dbraw/zinc/20/39/85/571203985.db2.gz NUTDDSMMIWUFMF-ZRDIBKRKSA-N -1 0 350.377 5.187 50 10 FKCARM Cc1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(Cl)cc2)c(C)c1 ZINC000004140616 207003387 /nfs/dbraw/zinc/00/33/87/207003387.db2.gz DGOHYHFWSWRIRL-UHFFFAOYSA-N -1 0 353.849 5.432 50 10 FKCARM Cc1ccc(C)c(-n2c(CCC(=O)[O-])ccc2-c2ccc(Cl)cc2)c1 ZINC000004140617 204123664 /nfs/dbraw/zinc/12/36/64/204123664.db2.gz VKBPGQJMLAHOEW-UHFFFAOYSA-N -1 0 353.849 5.432 50 10 FKCARM Cc1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(Cl)cc2)cc1C ZINC000004140618 207003582 /nfs/dbraw/zinc/00/35/82/207003582.db2.gz TUKHHHNSBNHCBE-UHFFFAOYSA-N -1 0 353.849 5.432 50 10 FKCARM Cc1cc(C)cc(-n2c(CCC(=O)[O-])ccc2-c2ccc(Cl)cc2)c1 ZINC000004140619 571356087 /nfs/dbraw/zinc/35/60/87/571356087.db2.gz HDPWVMZAUNUESV-UHFFFAOYSA-N -1 0 353.849 5.432 50 10 FKCARM CCc1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(Cl)cc2)cc1 ZINC000004140620 571356071 /nfs/dbraw/zinc/35/60/71/571356071.db2.gz BDANHFMLKNZNNQ-UHFFFAOYSA-N -1 0 353.849 5.377 50 10 FKCARM CC(C)c1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(F)cc2)cc1 ZINC000004140629 207003537 /nfs/dbraw/zinc/00/35/37/207003537.db2.gz FOSJRXRVGJMHHE-UHFFFAOYSA-N -1 0 351.421 5.424 50 10 FKCARM Cc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccc(C)c(Cl)c2)cc1 ZINC000004140644 219548761 /nfs/dbraw/zinc/54/87/61/219548761.db2.gz XSMOJJIPDJLLLM-UHFFFAOYSA-N -1 0 353.849 5.432 50 10 FKCARM Cc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccc(Cl)cc2C)cc1 ZINC000004140645 204123208 /nfs/dbraw/zinc/12/32/08/204123208.db2.gz NFYGMCQOOGNXKL-UHFFFAOYSA-N -1 0 353.849 5.432 50 10 FKCARM Cc1ccc(-c2ccc(CCC(=O)[O-])n2-c2cc(Cl)ccc2C)cc1 ZINC000004140646 210511325 /nfs/dbraw/zinc/51/13/25/210511325.db2.gz SSPICIJDUQMAMJ-UHFFFAOYSA-N -1 0 353.849 5.432 50 10 FKCARM O=C([O-])CCc1ccc(-c2ccccc2)n1-c1cccc(C(F)(F)F)c1 ZINC000004140671 207002507 /nfs/dbraw/zinc/00/25/07/207002507.db2.gz ZWRVXYMADCNKIG-UHFFFAOYSA-N -1 0 359.347 5.180 50 10 FKCARM O=C([O-])c1ccc([C@@H]2Nc3c(-c4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000004168319 204125309 /nfs/dbraw/zinc/12/53/09/204125309.db2.gz KIOLLIIPTYWXJD-FUDKSRODSA-N -1 0 367.448 5.878 50 10 FKCARM O=C([O-])c1ccc([C@@H]2Nc3c(-c4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1 ZINC000004168322 204125193 /nfs/dbraw/zinc/12/51/93/204125193.db2.gz KIOLLIIPTYWXJD-XJUOHMSHSA-N -1 0 367.448 5.878 50 10 FKCARM [O-]c1c2ccccc2ccc1C1=Nc2ccccc2N=C(c2ccccc2)C1 ZINC000004169993 570580081 /nfs/dbraw/zinc/58/00/81/570580081.db2.gz ZVWBFUINGBCKLZ-UHFFFAOYSA-N -1 0 362.432 6.191 50 10 FKCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000004182060 206171249 /nfs/dbraw/zinc/17/12/49/206171249.db2.gz DLSUYVWZOWUVHV-FHSNZYRGSA-N -1 0 360.240 5.518 50 10 FKCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000004182064 570665830 /nfs/dbraw/zinc/66/58/30/570665830.db2.gz DLSUYVWZOWUVHV-SNUQEOBHSA-N -1 0 360.240 5.518 50 10 FKCARM Cc1c(C(=O)[O-])cc(-c2ccc(C)c(C)c2)n1-c1ccc(Cl)c(Cl)c1 ZINC000004237784 207007403 /nfs/dbraw/zinc/00/74/03/207007403.db2.gz FQWAWFKUWCYNFG-UHFFFAOYSA-N -1 0 374.267 6.075 50 10 FKCARM O=S(=O)([O-])c1ccc(N=Nc2ccc(Nc3ccccc3)cc2)cc1 ZINC000004272008 571166076 /nfs/dbraw/zinc/16/60/76/571166076.db2.gz LXEMVZAXEIKMOU-UHFFFAOYSA-N -1 0 353.403 5.092 50 10 FKCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3c4c(cccc41)CC3)N2 ZINC000004362917 207015262 /nfs/dbraw/zinc/01/52/62/207015262.db2.gz NSNMLIQCAUGIDN-YIGJPRQDSA-N -1 0 367.448 5.463 50 10 FKCARM O=C([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2 ZINC000004363096 204136210 /nfs/dbraw/zinc/13/62/10/204136210.db2.gz SUMVSYDHEGOFHC-KEYYUXOJSA-N -1 0 360.240 5.518 50 10 FKCARM Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1cccc(C(F)(F)F)c1)[C@H]1CC=C[C@@H]21 ZINC000004363100 570586934 /nfs/dbraw/zinc/58/69/34/570586934.db2.gz OBZCGXZLOPIXLW-GJYPPUQNSA-N -1 0 373.374 5.539 50 10 FKCARM CC(C)c1ccc([C@@H]2Nc3c(Cl)cc(C(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000004363167 570587387 /nfs/dbraw/zinc/58/73/87/570587387.db2.gz JMBUUKPNCCMNAY-UWVAXJGDSA-N -1 0 367.876 5.988 50 10 FKCARM O=C([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000004363169 570760051 /nfs/dbraw/zinc/76/00/51/570760051.db2.gz IHZVVMCLXQROPK-KEYYUXOJSA-N -1 0 360.240 5.518 50 10 FKCARM O=C([O-])c1ccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000004501458 263333594 /nfs/dbraw/zinc/33/35/94/263333594.db2.gz KBWDYBOXSLHMSD-IGCXYCKISA-N -1 0 360.240 5.518 50 10 FKCARM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1N=Nc1cccc2ccccc21 ZINC000004503308 570802786 /nfs/dbraw/zinc/80/27/86/570802786.db2.gz BBOJYWNAZKTVHV-GHVJWSGMSA-N -1 0 362.820 6.108 50 10 FKCARM O=C([O-])CCc1ccc(-c2cccs2)n1-c1cccc(C(F)(F)F)c1 ZINC000004550784 219584868 /nfs/dbraw/zinc/58/48/68/219584868.db2.gz ZTLIKPNBASSACQ-UHFFFAOYSA-N -1 0 365.376 5.242 50 10 FKCARM Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1cccc3ccccc31)[C@H]1CC=C[C@@H]21 ZINC000004598748 204149044 /nfs/dbraw/zinc/14/90/44/204149044.db2.gz RLKBAZOHUJINDI-RFWXGWTQSA-N -1 0 355.437 5.673 50 10 FKCARM O=C([O-])CCc1ccc(-c2cccs2)n1-c1cc(Cl)cc(Cl)c1 ZINC000004675154 210550585 /nfs/dbraw/zinc/55/05/85/210550585.db2.gz CRXLWKITQBFLGC-UHFFFAOYSA-N -1 0 366.269 5.530 50 10 FKCARM O=C([O-])c1ccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@H]32)cc1 ZINC000004690401 209501438 /nfs/dbraw/zinc/50/14/38/209501438.db2.gz GGFWWCDGQIOLDN-IYOUNJFTSA-N -1 0 360.240 5.518 50 10 FKCARM O=C([O-])c1ccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@@H]32)cc1 ZINC000004690403 570774452 /nfs/dbraw/zinc/77/44/52/570774452.db2.gz GGFWWCDGQIOLDN-DEYYWGMASA-N -1 0 360.240 5.518 50 10 FKCARM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2 ZINC000004727551 206238888 /nfs/dbraw/zinc/23/88/88/206238888.db2.gz FAWZUVKEADDXNA-IGCXYCKISA-N -1 0 360.240 5.518 50 10 FKCARM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000004742526 209501828 /nfs/dbraw/zinc/50/18/28/209501828.db2.gz ABEJUXJVXQFAKB-IGCXYCKISA-N -1 0 360.240 5.518 50 10 FKCARM Nc1c(C(=O)[O-])sc2nc(-c3ccc(F)cc3)cc(-c3ccccc3)c12 ZINC000004784977 207048459 /nfs/dbraw/zinc/04/84/59/207048459.db2.gz IYHKHHSQLXZKTP-UHFFFAOYSA-N -1 0 364.401 5.050 50 10 FKCARM Cc1c(C(=O)[O-])ccc2c1N[C@H](c1cccc(C(F)(F)F)c1)[C@H]1CC=C[C@H]21 ZINC000004810904 219609256 /nfs/dbraw/zinc/60/92/56/219609256.db2.gz OBZCGXZLOPIXLW-TXPKVOOTSA-N -1 0 373.374 5.539 50 10 FKCARM Cc1c(C(=O)[O-])ccc2c1N[C@H](c1cccc(C(F)(F)F)c1)[C@@H]1CC=C[C@H]21 ZINC000004810906 204165737 /nfs/dbraw/zinc/16/57/37/204165737.db2.gz OBZCGXZLOPIXLW-FRQCXROJSA-N -1 0 373.374 5.539 50 10 FKCARM O=C([O-])c1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000004826570 570518739 /nfs/dbraw/zinc/51/87/39/570518739.db2.gz IQZKBDLGUPNMAH-VBQJREDUSA-N -1 0 360.240 5.518 50 10 FKCARM O=C([O-])c1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000004826582 219610266 /nfs/dbraw/zinc/61/02/66/219610266.db2.gz IQZKBDLGUPNMAH-ZQIUZPCESA-N -1 0 360.240 5.518 50 10 FKCARM Nc1c(C(=O)[O-])sc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)c12 ZINC000004980412 570880259 /nfs/dbraw/zinc/88/02/59/570880259.db2.gz YPUZBSVKNQYCAP-UHFFFAOYSA-N -1 0 364.401 5.050 50 10 FKCARM Oc1c([C@H](Nc2ccccc2Cl)c2ccccn2)ccc2cccnc21 ZINC000005009295 570574560 /nfs/dbraw/zinc/57/45/60/570574560.db2.gz IAJRVTFCVHTOBV-FQEVSTJZSA-N -1 0 361.832 5.190 50 10 FKCARM Oc1c([C@@H](Nc2ccccc2Cl)c2ccccn2)ccc2cccnc21 ZINC000005009296 570574536 /nfs/dbraw/zinc/57/45/36/570574536.db2.gz IAJRVTFCVHTOBV-HXUWFJFHSA-N -1 0 361.832 5.190 50 10 FKCARM C[C@@H](CCc1sccc1N=Nc1c(O)ccc2ccccc21)CC(=O)[O-] ZINC000005171181 207084391 /nfs/dbraw/zinc/08/43/91/207084391.db2.gz ASVAWSJZAJVHOP-NVMIEIDBSA-N -1 0 368.458 6.066 50 10 FKCARM C[C@H](CCc1sccc1N=Nc1c(O)ccc2ccccc21)CC(=O)[O-] ZINC000005171184 207084566 /nfs/dbraw/zinc/08/45/66/207084566.db2.gz ASVAWSJZAJVHOP-VIQONRLZSA-N -1 0 368.458 6.066 50 10 FKCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1C(F)(F)F)N2 ZINC000005244587 570622701 /nfs/dbraw/zinc/62/27/01/570622701.db2.gz RRCBSKUUIZVMFI-FHSNZYRGSA-N -1 0 359.347 5.230 50 10 FKCARM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1cccc(Cl)c1Cl ZINC000005618121 263342179 /nfs/dbraw/zinc/34/21/79/263342179.db2.gz HYVULDYADKQFIG-XNTDXEJSSA-N -1 0 374.271 5.329 50 10 FKCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000005813791 570778121 /nfs/dbraw/zinc/77/81/21/570778121.db2.gz DLSUYVWZOWUVHV-VFVRVIDISA-N -1 0 360.240 5.518 50 10 FKCARM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(Cl)cc1Cl ZINC000006234059 571167716 /nfs/dbraw/zinc/16/77/16/571167716.db2.gz FFHZIPQGPFKDSB-XNTDXEJSSA-N -1 0 360.244 5.020 50 10 FKCARM O=C(CC(O)(c1ccccc1)c1ccccc1)c1sc2ccccc2c1[O-] ZINC000007078909 570659657 /nfs/dbraw/zinc/65/96/57/570659657.db2.gz SOSPFDGAUFCBTI-UHFFFAOYSA-N -1 0 374.461 5.116 50 10 FKCARM Nc1c(C(=O)[O-])sc2nc(-c3cccs3)cc(-c3cccs3)c12 ZINC000008419640 204330689 /nfs/dbraw/zinc/33/06/89/204330689.db2.gz KLYLZTBIOSJVRE-UHFFFAOYSA-N -1 0 358.469 5.034 50 10 FKCARM Cc1ccc(-c2ccc(CCC(=O)[O-])n2-c2cc(Cl)ccc2Cl)cc1 ZINC000009095675 207256459 /nfs/dbraw/zinc/25/64/59/207256459.db2.gz OPCWQHAOFJOLLB-UHFFFAOYSA-N -1 0 374.267 5.777 50 10 FKCARM O=S(=O)([O-])c1ccc(/N=N/c2ccc(Nc3ccccc3)cc2)cc1 ZINC000012405205 570742145 /nfs/dbraw/zinc/74/21/45/570742145.db2.gz LXEMVZAXEIKMOU-QZQOTICOSA-N -1 0 353.403 5.092 50 10 FKCARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(Br)cc1 ZINC000012412982 570743435 /nfs/dbraw/zinc/74/34/35/570743435.db2.gz MAZSWJBJJAMYAG-VHEBQXMUSA-N -1 0 357.211 5.064 50 10 FKCARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(-c2ccccc2)cc1 ZINC000012625376 570753993 /nfs/dbraw/zinc/75/39/93/570753993.db2.gz XXEHVCNUWKRNIL-ZGBROZEESA-N -1 0 354.413 5.229 50 10 FKCARM O=C([O-])c1ccc([C@@H]2Nc3c(-c4ccccc4)cccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000012628291 220014678 /nfs/dbraw/zinc/01/46/78/220014678.db2.gz KIOLLIIPTYWXJD-XPNTWCBSSA-N -1 0 367.448 5.878 50 10 FKCARM O=C([O-])c1ccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@H]32)cc1 ZINC000012628593 204483635 /nfs/dbraw/zinc/48/36/35/204483635.db2.gz GGFWWCDGQIOLDN-LBTNJELSSA-N -1 0 360.240 5.518 50 10 FKCARM O=S(=O)([O-])c1cccc(/N=N/c2ccc(Nc3ccccc3)cc2)c1 ZINC000012955947 211012610 /nfs/dbraw/zinc/01/26/10/211012610.db2.gz HLISYGBBLOOIQF-QZQOTICOSA-N -1 0 353.403 5.092 50 10 in-vitro FKCARM CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@H](c1cccc([N+](=O)[O-])c1[O-])N2 ZINC000013217220 211028815 /nfs/dbraw/zinc/02/88/15/211028815.db2.gz MEEGICGIZJNXSX-LJQANCHMSA-N -1 0 370.449 5.399 50 10 FKCARM CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@@H](c1cccc([N+](=O)[O-])c1[O-])N2 ZINC000013217224 220060841 /nfs/dbraw/zinc/06/08/41/220060841.db2.gz MEEGICGIZJNXSX-IBGZPJMESA-N -1 0 370.449 5.399 50 10 FKCARM O=C([O-])c1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000013389214 220065928 /nfs/dbraw/zinc/06/59/28/220065928.db2.gz IQZKBDLGUPNMAH-CPUCHLNUSA-N -1 0 360.240 5.518 50 10 FKCARM CCCCn1c2ccccc2nc1NCc1cc(Cl)cc(Cl)c1[O-] ZINC000013551700 220073918 /nfs/dbraw/zinc/07/39/18/220073918.db2.gz OXCUCAZLULFDOV-UHFFFAOYSA-N -1 0 364.276 5.461 50 10 FKCARM O=c1c(N=Nc2ccc(F)cc2)c(-c2ccccc2)[n-]n1-c1ccccc1 ZINC000013574627 204537141 /nfs/dbraw/zinc/53/71/41/204537141.db2.gz LXJOOQPQABRWNV-WCWDXBQESA-N -1 0 358.376 5.799 50 10 FKCARM O=C([O-])c1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000014165786 220111841 /nfs/dbraw/zinc/11/18/41/220111841.db2.gz IQZKBDLGUPNMAH-KEYYUXOJSA-N -1 0 360.240 5.518 50 10 FKCARM CCCCN(CCC(=O)[O-])c1ccc(/C=C\c2ccnc3ccccc23)cc1 ZINC000017162416 571275270 /nfs/dbraw/zinc/27/52/70/571275270.db2.gz YJLFPXQJCSLPSB-FLIBITNWSA-N -1 0 374.484 5.486 50 10 FKCARM Cc1ccc(S(=O)(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1 ZINC000018046778 570806480 /nfs/dbraw/zinc/80/64/80/570806480.db2.gz SVJQMMYDUVJOOR-QZQOTICOSA-N -1 0 351.431 5.211 50 10 FKCARM Cc1[nH]c2ccccc2c1/N=N/c1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC000018192594 263373205 /nfs/dbraw/zinc/37/32/05/263373205.db2.gz ORLAXCPBCUENNU-QURGRASLSA-N -1 0 365.414 5.292 50 10 FKCARM CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@H](c1cc([N+](=O)[O-])ccc1[O-])N2 ZINC000019855028 211260208 /nfs/dbraw/zinc/26/02/08/211260208.db2.gz MHRXHFLJSIDINX-LJQANCHMSA-N -1 0 370.449 5.399 50 10 FKCARM CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@@H](c1cc([N+](=O)[O-])ccc1[O-])N2 ZINC000019855030 220302231 /nfs/dbraw/zinc/30/22/31/220302231.db2.gz MHRXHFLJSIDINX-IBGZPJMESA-N -1 0 370.449 5.399 50 10 FKCARM O=[N+]([O-])c1cc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3C=CC[C@H]32)ccc1[O-] ZINC000020110039 207725969 /nfs/dbraw/zinc/72/59/69/207725969.db2.gz NSVOOKQOVSUPIS-YVHKJVDXSA-N -1 0 358.397 5.280 50 10 FKCARM O=[N+]([O-])c1cc([C@@H]2Nc3ccc4ccccc4c3[C@H]3C=CC[C@H]32)ccc1[O-] ZINC000020110040 211269087 /nfs/dbraw/zinc/26/90/87/211269087.db2.gz NSVOOKQOVSUPIS-JKSBSHDWSA-N -1 0 358.397 5.280 50 10 FKCARM Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@@H]21 ZINC000020249236 570913979 /nfs/dbraw/zinc/91/39/79/570913979.db2.gz MNMYYNHXTHZUFW-QHRIQVFBSA-N -1 0 374.267 5.827 50 10 FKCARM Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@H]21 ZINC000020249239 220320611 /nfs/dbraw/zinc/32/06/11/220320611.db2.gz MNMYYNHXTHZUFW-WTOJCKNJSA-N -1 0 374.267 5.827 50 10 FKCARM Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CC=C[C@@H]21 ZINC000020249241 211273931 /nfs/dbraw/zinc/27/39/31/211273931.db2.gz MNMYYNHXTHZUFW-VLXJIEOASA-N -1 0 374.267 5.827 50 10 FKCARM Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CC=C[C@H]21 ZINC000020249244 211271903 /nfs/dbraw/zinc/27/19/03/211271903.db2.gz MNMYYNHXTHZUFW-XEKQOVJPSA-N -1 0 374.267 5.827 50 10 FKCARM COc1cccc(-c2cc3c(n2-c2ccc(C(=O)[O-])cc2)CCCCC3)c1 ZINC000021163579 211309534 /nfs/dbraw/zinc/30/95/34/211309534.db2.gz GVUXWQYBZOLASI-UHFFFAOYSA-N -1 0 361.441 5.120 50 10 FKCARM CC(C)c1ccc([C@@H]2Nc3c(Cl)cc(C(=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000032121173 571185310 /nfs/dbraw/zinc/18/53/10/571185310.db2.gz JMBUUKPNCCMNAY-HLIPFELVSA-N -1 0 367.876 5.988 50 10 FKCARM CC(C)c1ccc([C@@H]2Nc3c(Cl)cc(C(=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1 ZINC000032121176 571050044 /nfs/dbraw/zinc/05/00/44/571050044.db2.gz JMBUUKPNCCMNAY-QKLQHJQFSA-N -1 0 367.876 5.988 50 10 FKCARM CC(C)c1ccc([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@H]32)cc1 ZINC000032192954 571356514 /nfs/dbraw/zinc/35/65/14/571356514.db2.gz ULGTZQFPISRTQD-QINHECLXSA-N -1 0 367.876 5.988 50 10 FKCARM CC(C)c1ccc([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@H]3C=CC[C@H]32)cc1 ZINC000032192956 571356554 /nfs/dbraw/zinc/35/65/54/571356554.db2.gz ULGTZQFPISRTQD-YRNRMSPPSA-N -1 0 367.876 5.988 50 10 FKCARM CCN(CC)c1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)[O-])cc1 ZINC000033627343 570571462 /nfs/dbraw/zinc/57/14/62/570571462.db2.gz CCZRNQOQPNJJIP-ICFOKQHNSA-N -1 0 372.468 5.266 50 10 FKCARM CC(C)c1ccc([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@H]3C=CC[C@@H]32)cc1 ZINC000033762473 568550532 /nfs/dbraw/zinc/55/05/32/568550532.db2.gz ULGTZQFPISRTQD-FTRWYGJKSA-N -1 0 367.876 5.988 50 10 FKCARM CC(C)c1ccc([C@@H]2Nc3c(Cl)cc(C(=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000033786749 570585082 /nfs/dbraw/zinc/58/50/82/570585082.db2.gz JMBUUKPNCCMNAY-ZWOKBUDYSA-N -1 0 367.876 5.988 50 10 FKCARM O=[N+]([O-])c1cc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3C=CC[C@@H]32)ccc1[O-] ZINC000036046430 208142229 /nfs/dbraw/zinc/14/22/29/208142229.db2.gz NSVOOKQOVSUPIS-JLHGSKIFSA-N -1 0 358.397 5.280 50 10 FKCARM O=[N+]([O-])c1cc([C@@H]2Nc3ccc4ccccc4c3[C@H]3C=CC[C@@H]32)ccc1[O-] ZINC000036046431 571079561 /nfs/dbraw/zinc/07/95/61/571079561.db2.gz NSVOOKQOVSUPIS-HOIFWPIMSA-N -1 0 358.397 5.280 50 10 FKCARM CC(C)c1ccc([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000037613808 220840990 /nfs/dbraw/zinc/84/09/90/220840990.db2.gz ULGTZQFPISRTQD-GUXCAODWSA-N -1 0 367.876 5.988 50 10 FKCARM Cc1ccc(C)n1-c1ccc(-c2cc(C(=O)[O-])c3cc(C)ccc3n2)cc1 ZINC000040451255 208254409 /nfs/dbraw/zinc/25/44/09/208254409.db2.gz YUFOBSMXCHWJQW-UHFFFAOYSA-N -1 0 356.425 5.316 50 10 FKCARM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000043769623 210189217 /nfs/dbraw/zinc/18/92/17/210189217.db2.gz FAWZUVKEADDXNA-IIYDPXPESA-N -1 0 360.240 5.518 50 10 FKCARM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000043769628 571192841 /nfs/dbraw/zinc/19/28/41/571192841.db2.gz ABEJUXJVXQFAKB-IIYDPXPESA-N -1 0 360.240 5.518 50 10 FKCARM O=C([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000043769694 571231524 /nfs/dbraw/zinc/23/15/24/571231524.db2.gz SUMVSYDHEGOFHC-CKEIUWERSA-N -1 0 360.240 5.518 50 10 FKCARM CCCc1cc(/N=N/c2ccncc2)ccc1OCCCCCC(=O)[O-] ZINC000044069441 571101486 /nfs/dbraw/zinc/10/14/86/571101486.db2.gz RKSDFQDWVOJLAU-GHVJWSGMSA-N -1 0 355.438 5.473 50 10 FKCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000049034619 221018006 /nfs/dbraw/zinc/01/80/06/221018006.db2.gz DLSUYVWZOWUVHV-VBHSOAQHSA-N -1 0 360.240 5.518 50 10 FKCARM CCN(CC)c1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)[O-])cc1 ZINC000057209176 221084695 /nfs/dbraw/zinc/08/46/95/221084695.db2.gz CCZRNQOQPNJJIP-BMRADRMJSA-N -1 0 372.468 5.266 50 10 FKCARM CCc1ccc(C2=N[C@H](c3ccccc3C)N[C@H](c3ccccc3O)C2)cc1 ZINC000058138826 571348520 /nfs/dbraw/zinc/34/85/20/571348520.db2.gz IMCZUELIHQEVJP-ZCYQVOJMSA-N -1 0 370.496 5.486 50 10 FKCARM CCc1ccc(C2=N[C@@H](c3ccccc3C)N[C@@H](c3ccccc3O)C2)cc1 ZINC000058138855 571348532 /nfs/dbraw/zinc/34/85/32/571348532.db2.gz IMCZUELIHQEVJP-ILBGXUMGSA-N -1 0 370.496 5.486 50 10 FKCARM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000059267080 221125257 /nfs/dbraw/zinc/12/52/57/221125257.db2.gz ABEJUXJVXQFAKB-XNJGSVPQSA-N -1 0 360.240 5.518 50 10 FKCARM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2 ZINC000059267082 212015573 /nfs/dbraw/zinc/01/55/73/212015573.db2.gz FAWZUVKEADDXNA-XNJGSVPQSA-N -1 0 360.240 5.518 50 10 FKCARM O=C([O-])c1ccc([C@@H]2Nc3c(-c4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000059267127 212015935 /nfs/dbraw/zinc/01/59/35/212015935.db2.gz KIOLLIIPTYWXJD-GIWBLDEGSA-N -1 0 367.448 5.878 50 10 FKCARM O=C([O-])c1ccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000059267176 571134289 /nfs/dbraw/zinc/13/42/89/571134289.db2.gz GGFWWCDGQIOLDN-GLJUWKHASA-N -1 0 360.240 5.518 50 10 FKCARM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(Cl)cc1Cl ZINC000095471550 571330633 /nfs/dbraw/zinc/33/06/33/571330633.db2.gz DAVRMOZPAFIZEW-YBEGLDIGSA-N -1 0 374.271 5.329 50 10 FKCARM O=C([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000096006223 571333849 /nfs/dbraw/zinc/33/38/49/571333849.db2.gz IHZVVMCLXQROPK-CPUCHLNUSA-N -1 0 360.240 5.518 50 10 FKCARM O=C([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2 ZINC000096006227 221988377 /nfs/dbraw/zinc/98/83/77/221988377.db2.gz SUMVSYDHEGOFHC-CPUCHLNUSA-N -1 0 360.240 5.518 50 10 FKCARM CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1cccc2ccccc21 ZINC000100040916 209207233 /nfs/dbraw/zinc/20/72/33/209207233.db2.gz KFKQEJZUCACWEL-KGENOOAVSA-N -1 0 355.441 5.175 50 10 FKCARM Cc1[n-]n(-c2cccc3ccccc32)c(=O)c1C=Nc1ccccc1Cl ZINC000101114008 570816679 /nfs/dbraw/zinc/81/66/79/570816679.db2.gz LOFCGPLVMBLORQ-GHRIWEEISA-N -1 0 361.832 5.212 50 10 FKCARM O=C([O-])c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N3C[C@H]1CC=C[C@@H]21 ZINC000101114373 132251998 /nfs/dbraw/zinc/25/19/98/132251998.db2.gz KFAJWONJZWSPHN-VTCZHREGSA-N -1 0 369.464 5.279 50 10 FKCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1C(F)(F)F)N2 ZINC000101199698 222265174 /nfs/dbraw/zinc/26/51/74/222265174.db2.gz RRCBSKUUIZVMFI-SNUQEOBHSA-N -1 0 359.347 5.230 50 10 FKCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2 ZINC000101636595 222279239 /nfs/dbraw/zinc/27/92/39/222279239.db2.gz PNARUOLTJDSYIV-FTLABTOESA-N -1 0 360.240 5.518 50 10 FKCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2 ZINC000101636598 222279539 /nfs/dbraw/zinc/27/95/39/222279539.db2.gz PNARUOLTJDSYIV-SEDUGSJDSA-N -1 0 360.240 5.518 50 10 FKCARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(Nc2ccccc2)cc1 ZINC000102148325 222290461 /nfs/dbraw/zinc/29/04/61/222290461.db2.gz SUDMOXWVGPFARD-JOWZZTKRSA-N -1 0 369.428 5.305 50 10 FKCARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(Nc2ccccc2)cc1 ZINC000102148333 570514542 /nfs/dbraw/zinc/51/45/42/570514542.db2.gz SUDMOXWVGPFARD-PWKIUMOWSA-N -1 0 369.428 5.305 50 10 FKCARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(Oc2ccccc2)cc1 ZINC000102148562 570514664 /nfs/dbraw/zinc/51/46/64/570514664.db2.gz XDMFJQPCEZQBAF-VANSDEMISA-N -1 0 370.412 5.354 50 10 FKCARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(Oc2ccccc2)cc1 ZINC000102148578 205970871 /nfs/dbraw/zinc/97/08/71/205970871.db2.gz XDMFJQPCEZQBAF-ZGBROZEESA-N -1 0 370.412 5.354 50 10 FKCARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(-c2ccccc2)cc1 ZINC000102572201 209237737 /nfs/dbraw/zinc/23/77/37/209237737.db2.gz XXEHVCNUWKRNIL-VANSDEMISA-N -1 0 354.413 5.229 50 10 FKCARM Cc1c(C(=O)[O-])ccc2c1N[C@H](c1cccc(C(F)(F)F)c1)[C@@H]1CC=C[C@@H]21 ZINC000111441453 570541973 /nfs/dbraw/zinc/54/19/73/570541973.db2.gz OBZCGXZLOPIXLW-GPMSIDNRSA-N -1 0 373.374 5.539 50 10 FKCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc3c4c(cccc41)CC3)N2 ZINC000111442093 570932434 /nfs/dbraw/zinc/93/24/34/570932434.db2.gz NSNMLIQCAUGIDN-YJLYGGOZSA-N -1 0 367.448 5.463 50 10 FKCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc3c4c(cccc41)CC3)N2 ZINC000111442096 570932501 /nfs/dbraw/zinc/93/25/01/570932501.db2.gz NSNMLIQCAUGIDN-VUMVONDWSA-N -1 0 367.448 5.463 50 10 FKCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000111442376 209333223 /nfs/dbraw/zinc/33/32/23/209333223.db2.gz RRCBSKUUIZVMFI-VFVRVIDISA-N -1 0 359.347 5.230 50 10 FKCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000111442378 570541893 /nfs/dbraw/zinc/54/18/93/570541893.db2.gz RRCBSKUUIZVMFI-VBHSOAQHSA-N -1 0 359.347 5.230 50 10 FKCARM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000111478814 570932804 /nfs/dbraw/zinc/93/28/04/570932804.db2.gz ABEJUXJVXQFAKB-PBFPGSCMSA-N -1 0 360.240 5.518 50 10 FKCARM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000111478857 570932913 /nfs/dbraw/zinc/93/29/13/570932913.db2.gz FAWZUVKEADDXNA-PBFPGSCMSA-N -1 0 360.240 5.518 50 10 FKCARM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1cccc(Cl)c1Cl ZINC000136402491 570652917 /nfs/dbraw/zinc/65/29/17/570652917.db2.gz HYVULDYADKQFIG-GDNBJRDFSA-N -1 0 374.271 5.329 50 10 FKCARM O=C([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000169617885 571244090 /nfs/dbraw/zinc/24/40/90/571244090.db2.gz SUMVSYDHEGOFHC-JKIFEVAISA-N -1 0 360.240 5.518 50 10 FKCARM CC(C)c1ccc(-c2c3c[nH]nc3nc3c4ccc(O)c([O-])c4oc32)cc1 ZINC000217912735 571351607 /nfs/dbraw/zinc/35/16/07/571351607.db2.gz BXMGZPREHMBCPR-UHFFFAOYSA-N -1 0 359.385 5.059 50 10 FKCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2 ZINC000222230631 568506787 /nfs/dbraw/zinc/50/67/87/568506787.db2.gz PNARUOLTJDSYIV-FMTVUPSXSA-N -1 0 360.240 5.518 50 10 FKCARM Cc1c(C(=O)[O-])ccc2c1N[C@H](c1cccc3ccccc31)[C@@H]1CC=C[C@@H]21 ZINC000229746840 571357374 /nfs/dbraw/zinc/35/73/74/571357374.db2.gz RLKBAZOHUJINDI-KKLQWCBXSA-N -1 0 355.437 5.673 50 10 FKCARM O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3[C@@H](c1ccccc1)[C@H]1CC=C[C@@H]21 ZINC000245231848 526358262 /nfs/dbraw/zinc/35/82/62/526358262.db2.gz KFAJWONJZWSPHN-DERWQMDGSA-N -1 0 369.464 5.279 50 10 FKCARM O=C([O-])c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N3C[C@@H]1CC=C[C@@H]21 ZINC000245231849 526358442 /nfs/dbraw/zinc/35/84/42/526358442.db2.gz KFAJWONJZWSPHN-JMQPUURYSA-N -1 0 369.464 5.279 50 10 FKCARM O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1ccccc1)[C@H]1CC=C[C@@H]21 ZINC000245231850 526358126 /nfs/dbraw/zinc/35/81/26/526358126.db2.gz KFAJWONJZWSPHN-WCDSQHRASA-N -1 0 369.464 5.279 50 10 FKCARM CC(=O)CCc1cc2c(cc1N=Nc1ccccc1C(=O)[O-])CC[C@H](C)N2 ZINC000245239524 571316756 /nfs/dbraw/zinc/31/67/56/571316756.db2.gz JZTCOJKNZPNJHD-ZDUSSCGKSA-N -1 0 365.433 5.068 50 10 FKCARM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1N=Nc1ccc(C(C)(C)C)cc1 ZINC000252428548 571317350 /nfs/dbraw/zinc/31/73/50/571317350.db2.gz LQKDZERKNAAEFG-UHFFFAOYSA-N -1 0 368.868 6.253 50 10 FKCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc3c4c(cccc41)CC3)N2 ZINC000252622319 526385821 /nfs/dbraw/zinc/38/58/21/526385821.db2.gz NSNMLIQCAUGIDN-ROMRWMGNSA-N -1 0 367.448 5.463 50 10 FKCARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(-c2ccccc2)cc1 ZINC000252637829 571291601 /nfs/dbraw/zinc/29/16/01/571291601.db2.gz XXEHVCNUWKRNIL-NRFANRHFSA-N -1 0 354.413 5.229 50 10 FKCARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(-c2ccccc2)cc1 ZINC000252637830 571291572 /nfs/dbraw/zinc/29/15/72/571291572.db2.gz XXEHVCNUWKRNIL-OAQYLSRUSA-N -1 0 354.413 5.229 50 10 FKCARM C[Si](C)(C)c1ccc2c(c1)C=CC(=O)C2=NNc1ccc(C(=O)[O-])cc1 ZINC000254384728 571318020 /nfs/dbraw/zinc/31/80/20/571318020.db2.gz FMKDFXDNNPIQKC-UHFFFAOYSA-N -1 0 364.477 5.204 50 10 FKCARM