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1209954067 /nfs/dbraw/zinc/95/40/67/1209954067.db2.gz ITWHTSSZSIXVOU-OAHLLOKOSA-N 0 2 354.370 0.742 20 0 FCADLN C[C@H](c1ccccc1)N1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC000870125525 1210109228 /nfs/dbraw/zinc/10/92/28/1210109228.db2.gz KEGCEONZQFLZDJ-CQSZACIVSA-N 0 2 366.425 0.977 20 0 FCADLN Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(c3cc(N4CCOCC4)nc[nH+]3)C2)cn1 ZINC000873070217 1210232309 /nfs/dbraw/zinc/23/23/09/1210232309.db2.gz QKLCSEKCBXOBSH-KBPBESRZSA-N 0 2 372.429 0.741 20 0 FCADLN Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(c3cc(N4CCOCC4)[nH+]cn3)C2)cn1 ZINC000873070217 1210232316 /nfs/dbraw/zinc/23/23/16/1210232316.db2.gz QKLCSEKCBXOBSH-KBPBESRZSA-N 0 2 372.429 0.741 20 0 FCADLN C[NH+]1CCN(C2CCN(C(=O)C(=O)NCCCOC(C)(C)C)CC2)CC1 ZINC000875452255 1210374617 /nfs/dbraw/zinc/37/46/17/1210374617.db2.gz VXXOHKYTMDZMHK-UHFFFAOYSA-N 0 2 368.522 0.546 20 0 FCADLN Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC[C@H](CF)C2)CC1 ZINC000880297354 1210525153 /nfs/dbraw/zinc/52/51/53/1210525153.db2.gz 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DLXQCUJXLGIRDG-AWEZNQCLSA-N 0 2 354.384 0.779 20 0 FCADLN CCCCNC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001194265661 852569526 /nfs/dbraw/zinc/56/95/26/852569526.db2.gz VGGBKEAWWJGQSB-RRFJBIMHSA-N 0 2 356.511 0.183 20 0 FCADLN CS(=O)(=O)c1ccc(C(=O)NCc2n[nH]c(=O)[nH]2)c(N2CCCC2)c1 ZINC001194859013 852661705 /nfs/dbraw/zinc/66/17/05/852661705.db2.gz KMVKCGKKYMGZLS-UHFFFAOYSA-N 0 2 365.415 0.444 20 0 FCADLN COc1cc(C)c(S(=O)(=O)Nc2c(O)[nH]c(=O)[nH]c2=S)c(C)c1C ZINC001194890675 852667176 /nfs/dbraw/zinc/66/71/76/852667176.db2.gz ZQANDFZSMWAZES-SNVBAGLBSA-N 0 2 371.440 0.434 20 0 FCADLN C[C@H]1C[C@@H](CO)N(C(=O)c2cc(-n3ncc(=O)[nH]c3=O)ccc2Cl)C1 ZINC001197992627 853200526 /nfs/dbraw/zinc/20/05/26/853200526.db2.gz ZLKYAIIZGGKKSZ-ONGXEEELSA-N 0 2 364.789 0.829 20 0 FCADLN COC(C)(CNC(=O)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl)OC ZINC001198008851 853204395 /nfs/dbraw/zinc/20/43/95/853204395.db2.gz XCWWDAUFPGJFLG-UHFFFAOYSA-N 0 2 368.777 0.725 20 0 FCADLN C=CS(=O)(=O)Nc1ncc(I)nc1C(=O)OC ZINC001198569542 853285078 /nfs/dbraw/zinc/28/50/78/853285078.db2.gz FGNKFGHXTJTXLW-UHFFFAOYSA-N 0 2 369.140 0.753 20 0 FCADLN CC(C)(O)CC[NH+]1CCN(S(=O)(=O)c2ccccc2C(=O)[O-])CC1 ZINC001198766888 853316420 /nfs/dbraw/zinc/31/64/20/853316420.db2.gz AQSHEHKMRQZXBM-UHFFFAOYSA-N 0 2 356.444 0.852 20 0 FCADLN COC(=O)[C@@H](Cc1c[nH+]cn1C)NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198811554 853324933 /nfs/dbraw/zinc/32/49/33/853324933.db2.gz XUFPLHBAAKYBAI-GFCCVEGCSA-N 0 2 367.383 0.181 20 0 FCADLN CCN(C)c1ncc(NS(=O)(=O)c2cncc(C(=O)OC)c2)cn1 ZINC001201843347 853548361 /nfs/dbraw/zinc/54/83/61/853548361.db2.gz OBCVVKPJYFSFTI-UHFFFAOYSA-N 0 2 351.388 0.915 20 0 FCADLN COC(=O)CCC[N@@H+]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccs1 ZINC001202263554 853563896 /nfs/dbraw/zinc/56/38/96/853563896.db2.gz NZEHUXIQFVANFC-NSHDSACASA-N 0 2 360.457 0.971 20 0 FCADLN COC(=O)CCC[N@H+]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccs1 ZINC001202263554 853563901 /nfs/dbraw/zinc/56/39/01/853563901.db2.gz NZEHUXIQFVANFC-NSHDSACASA-N 0 2 360.457 0.971 20 0 FCADLN C[C@@H]1CN(Cc2nc(N(C)C)no2)C[C@H]1NC(=O)C(F)C(F)(F)F ZINC001207023101 853781087 /nfs/dbraw/zinc/78/10/87/853781087.db2.gz QGZOSECSUOSQCU-NQMVMOMDSA-N 0 2 353.320 0.973 20 0 FCADLN C[C@@H]1CN(Cc2nc(N(C)C)no2)C[C@H]1NC(=O)[C@@H](F)C(F)(F)F ZINC001207023101 853781094 /nfs/dbraw/zinc/78/10/94/853781094.db2.gz QGZOSECSUOSQCU-NQMVMOMDSA-N 0 2 353.320 0.973 20 0 FCADLN C[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CCOC[C@@H]1CCCO1 ZINC001207833863 853862204 /nfs/dbraw/zinc/86/22/04/853862204.db2.gz LOEVEAHDIXWPNI-FRRDWIJNSA-N 0 2 353.423 0.033 20 0 FCADLN C[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CCOC[C@@H]1CCCO1 ZINC001207833863 853862206 /nfs/dbraw/zinc/86/22/06/853862206.db2.gz LOEVEAHDIXWPNI-FRRDWIJNSA-N 0 2 353.423 0.033 20 0 FCADLN CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001208763337 853972017 /nfs/dbraw/zinc/97/20/17/853972017.db2.gz GVTWAZBXMQHTFK-VNHYZAJKSA-N 0 2 350.467 0.429 20 0 FCADLN CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2cn[nH]n2)C1 ZINC001208763144 853972203 /nfs/dbraw/zinc/97/22/03/853972203.db2.gz CESDAGJYSPISTA-TZMCWYRMSA-N 0 2 350.467 0.479 20 0 FCADLN O=C([N-]S(=O)(=O)c1cccs1)[C@@H]1CCC[N@@H+]1CCN1CCOCC1 ZINC001209294257 854017453 /nfs/dbraw/zinc/01/74/53/854017453.db2.gz YHKVGKNFIHVKHH-ZDUSSCGKSA-N 0 2 373.500 0.350 20 0 FCADLN O=C([N-]S(=O)(=O)c1cccs1)[C@@H]1CCC[N@H+]1CCN1CCOCC1 ZINC001209294257 854017461 /nfs/dbraw/zinc/01/74/61/854017461.db2.gz YHKVGKNFIHVKHH-ZDUSSCGKSA-N 0 2 373.500 0.350 20 0 FCADLN CCS(=O)(CC)=NS(=O)(=O)N[C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC001211988208 854319496 /nfs/dbraw/zinc/31/94/96/854319496.db2.gz ZRTGNWYHEANOBQ-STQMWFEESA-N 0 2 354.494 0.649 20 0 FCADLN CO[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1NC(=O)CCc1nc[nH]n1 ZINC001212111752 854367122 /nfs/dbraw/zinc/36/71/22/854367122.db2.gz RQGDXTBMBGUFQV-HUUCEWRRSA-N 0 2 351.451 0.369 20 0 FCADLN CO[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1NC(=O)C(F)C(F)(F)F ZINC001212303716 854432971 /nfs/dbraw/zinc/43/29/71/854432971.db2.gz LBIJVJASPFIJNQ-KKZNHRDASA-N 0 2 357.348 0.617 20 0 FCADLN CO[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@H](F)C(F)(F)F ZINC001212303716 854432976 /nfs/dbraw/zinc/43/29/76/854432976.db2.gz LBIJVJASPFIJNQ-KKZNHRDASA-N 0 2 357.348 0.617 20 0 FCADLN CCO[C@H](CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1OC)C(C)C ZINC001212403867 854464595 /nfs/dbraw/zinc/46/45/95/854464595.db2.gz YVVGGUSJLGEKAF-JHJVBQTASA-N 0 2 355.439 0.277 20 0 FCADLN CCO[C@@H](CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1OC)C(C)C ZINC001212403866 854465146 /nfs/dbraw/zinc/46/51/46/854465146.db2.gz YVVGGUSJLGEKAF-FRRDWIJNSA-N 0 2 355.439 0.277 20 0 FCADLN CO[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001212495718 854501605 /nfs/dbraw/zinc/50/16/05/854501605.db2.gz OPKWGHSGBXMUKQ-VRJVPJCWSA-N 0 2 359.814 0.037 20 0 FCADLN CO[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001212495718 854501607 /nfs/dbraw/zinc/50/16/07/854501607.db2.gz OPKWGHSGBXMUKQ-VRJVPJCWSA-N 0 2 359.814 0.037 20 0 FCADLN COCCOC[N@@H+]1C[C@@H]2CCN(C(=O)c3nc(SC)ncc3[O-])[C@@H]2C1 ZINC001279077132 862627852 /nfs/dbraw/zinc/62/78/52/862627852.db2.gz DLRMIYBKFOTSOA-NWDGAFQWSA-N 0 2 368.459 0.671 20 0 FCADLN COCCOC[N@H+]1C[C@@H]2CCN(C(=O)c3nc(SC)ncc3[O-])[C@@H]2C1 ZINC001279077132 862627857 /nfs/dbraw/zinc/62/78/57/862627857.db2.gz DLRMIYBKFOTSOA-NWDGAFQWSA-N 0 2 368.459 0.671 20 0 FCADLN CCC[C@@H](OCC)C(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[nH]3)C[C@@H]21 ZINC001218498082 855430450 /nfs/dbraw/zinc/43/04/50/855430450.db2.gz MTZKSHILAMPLMZ-YNEHKIRRSA-N 0 2 353.423 0.127 20 0 FCADLN O=C(CCCC(F)(F)F)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[nH]3)C[C@@H]21 ZINC001218683205 855464469 /nfs/dbraw/zinc/46/44/69/855464469.db2.gz QPJAFOYSIFQNSA-VHSXEESVSA-N 0 2 363.340 0.655 20 0 FCADLN CCCN(CCC)C(=O)CN1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@@H](O)C1 ZINC001219667635 855761029 /nfs/dbraw/zinc/76/10/29/855761029.db2.gz GNTSANTVRLFJOI-MDZLAQPJSA-N 0 2 371.375 0.697 20 0 FCADLN CCCN(CCC)C(=O)CN1C[C@@H](NC(=O)[C@H](F)C(F)(F)F)[C@@H](O)C1 ZINC001219667635 855761036 /nfs/dbraw/zinc/76/10/36/855761036.db2.gz GNTSANTVRLFJOI-MDZLAQPJSA-N 0 2 371.375 0.697 20 0 FCADLN CC(C)(C)n1ncnc1CN1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@@H](O)C1 ZINC001219667728 855762271 /nfs/dbraw/zinc/76/22/71/855762271.db2.gz JTIAKBREFFTDIZ-YWVKMMECSA-N 0 2 367.347 0.595 20 0 FCADLN CC(C)(C)n1ncnc1CN1C[C@@H](NC(=O)[C@H](F)C(F)(F)F)[C@@H](O)C1 ZINC001219667728 855762275 /nfs/dbraw/zinc/76/22/75/855762275.db2.gz JTIAKBREFFTDIZ-YWVKMMECSA-N 0 2 367.347 0.595 20 0 FCADLN O=C(N[C@@H]1CN(Cc2nnc(C3CC3)s2)C[C@@H]1O)C(F)C(F)(F)F ZINC001219670228 855764030 /nfs/dbraw/zinc/76/40/30/855764030.db2.gz PGJVZYNUTKEIBV-KHQFGBGNSA-N 0 2 368.356 0.977 20 0 FCADLN O=C(N[C@@H]1CN(Cc2nnc(C3CC3)s2)C[C@@H]1O)[C@@H](F)C(F)(F)F ZINC001219670228 855764033 /nfs/dbraw/zinc/76/40/33/855764033.db2.gz PGJVZYNUTKEIBV-KHQFGBGNSA-N 0 2 368.356 0.977 20 0 FCADLN Cc1cc(CNC(=O)NCc2nnc(CS(C)(=O)=O)[nH]2)ccc1F ZINC001220831100 856330115 /nfs/dbraw/zinc/33/01/15/856330115.db2.gz MIQSWRAAOJEEQH-UHFFFAOYSA-N 0 2 355.395 0.796 20 0 FCADLN CC(C)(C)N1C[C@@H](NC(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)CC1=O ZINC001223240682 856904128 /nfs/dbraw/zinc/90/41/28/856904128.db2.gz DPHZYXOXFMKPLI-MNOVXSKESA-N 0 2 350.423 0.799 20 0 FCADLN Cc1cccn2cc(CO[C@H](C[NH+]3CCOCC3)CS(=O)(=O)[O-])nc12 ZINC001223359574 856911956 /nfs/dbraw/zinc/91/19/56/856911956.db2.gz YMQFYBBBVNIVTL-OAHLLOKOSA-N 0 2 369.443 0.748 20 0 FCADLN O=S(=O)([O-])C[C@@H](C[NH+]1CCOCC1)OCc1ccc2c(c1)OCCO2 ZINC001223739831 856941311 /nfs/dbraw/zinc/94/13/11/856941311.db2.gz JGFURVZOJPWXKY-CQSZACIVSA-N 0 2 373.427 0.563 20 0 FCADLN CS(=O)(=O)Cc1nnc(CNC(=O)N[C@@H]2CCOC3(CCCC3)C2)[nH]1 ZINC001224058558 856957191 /nfs/dbraw/zinc/95/71/91/856957191.db2.gz CSRWXKWHHQSEEE-LLVKDONJSA-N 0 2 371.463 0.640 20 0 FCADLN O=S(=O)([O-])C[C@@H](C[NH+]1CCOCC1)OCc1cccc2ocnc21 ZINC001224049396 856957531 /nfs/dbraw/zinc/95/75/31/856957531.db2.gz JZNGYQGGTGSGSH-CYBMUJFWSA-N 0 2 356.400 0.933 20 0 FCADLN CCOc1ccc(CO[C@H](C[NH+]2CCOCC2)CS(=O)(=O)[O-])cn1 ZINC001224080703 856959125 /nfs/dbraw/zinc/95/91/25/856959125.db2.gz NIBVLXCJFUMFEI-CQSZACIVSA-N 0 2 360.432 0.586 20 0 FCADLN O=S(=O)([O-])C[C@@H](C[NH+]1CCOCC1)OCCCO[C@H]1CCCCO1 ZINC001224532926 856987197 /nfs/dbraw/zinc/98/71/97/856987197.db2.gz ZXPVSMNXJFWUCC-CABCVRRESA-N 0 2 367.464 0.525 20 0 FCADLN CC(=O)OCCCCCCO[C@H](C[NH+]1CCOCC1)CS(=O)(=O)[O-] ZINC001224577672 856990289 /nfs/dbraw/zinc/99/02/89/856990289.db2.gz LJZAXRPJMBLSJV-OAHLLOKOSA-N 0 2 367.464 0.715 20 0 FCADLN CCOC(=O)/C=C(\C)CO[C@@H](C[NH+]1CCOCC1)CS(=O)(=O)[O-] ZINC001224782019 857001445 /nfs/dbraw/zinc/00/14/45/857001445.db2.gz CIRADOUWDOWMAK-RPHSKFLZSA-N 0 2 351.421 0.101 20 0 FCADLN CO[C@@H]1O[C@H](COc2nc3nc[nH]c3c(=S)[nH]2)[C@H]2OC(C)(C)O[C@@H]12 ZINC001226781419 857125893 /nfs/dbraw/zinc/12/58/93/857125893.db2.gz AYCHGKCNCUZUTA-WOUKDFQISA-N 0 2 354.388 0.912 20 0 FCADLN CCOC(=O)[C@H]1CC[C@@H](Oc2[nH]c(=O)nc3c(=O)[nH]c(=O)[nH]c23)CO1 ZINC001226888059 857129865 /nfs/dbraw/zinc/12/98/65/857129865.db2.gz NPJCCPTVKNHRFD-RNFRBKRXSA-N 0 2 352.303 0.026 20 0 FCADLN CS(=O)(=O)Cc1nnc(CNC(=O)NC[C@@H]2CCC(F)(F)C2)[nH]1 ZINC001227501413 857162916 /nfs/dbraw/zinc/16/29/16/857162916.db2.gz RCTJXKLIGONDPS-MRVPVSSYSA-N 0 2 351.379 0.584 20 0 FCADLN O=S(=O)([O-])C[C@H](C[n+]1ccccc1)Oc1nc(-c2cccnc2)n[nH]1 ZINC001228699107 857224487 /nfs/dbraw/zinc/22/44/87/857224487.db2.gz VMQMXDHDGSROFY-ZDUSSCGKSA-O 0 2 362.391 0.490 20 0 FCADLN O=S(=O)([O-])C[C@H](C[NH+]1CCOCC1)Oc1cnc2c(c1)CCCC2 ZINC001228779606 857228199 /nfs/dbraw/zinc/22/81/99/857228199.db2.gz WVRCUGJDKCVWPG-HNNXBMFYSA-N 0 2 356.444 0.928 20 0 FCADLN O=S(=O)([O-])C[C@H](C[NH+]1CCOCC1)Oc1nccc2cccnc21 ZINC001228808611 857231149 /nfs/dbraw/zinc/23/11/49/857231149.db2.gz CBDQOJGNMXQGED-ZDUSSCGKSA-N 0 2 353.400 0.597 20 0 FCADLN O=c1cc(I)nc(O[C@H]2CO[C@H]3OCC[C@@H]23)[nH]1 ZINC001228946602 857240762 /nfs/dbraw/zinc/24/07/62/857240762.db2.gz NRSVGLIWHQMTIB-ATVXKPNKSA-N 0 2 350.112 0.927 20 0 FCADLN COC(=O)c1ccc(O[C@@H](C[NH+]2CCOCC2)CS(=O)(=O)[O-])cc1C ZINC001229448716 857271408 /nfs/dbraw/zinc/27/14/08/857271408.db2.gz FISZGNQRLYILOS-AWEZNQCLSA-N 0 2 373.427 0.749 20 0 FCADLN O=c1cc(O[C@H](C[NH+]2CCOCC2)CS(=O)(=O)[O-])c2c([nH]1)CCCC2 ZINC001229506055 857272739 /nfs/dbraw/zinc/27/27/39/857272739.db2.gz PIIIVAAADILRQY-GFCCVEGCSA-N 0 2 372.443 0.633 20 0 FCADLN O=S(=O)([O-])C[C@@H](C[NH+]1CCOCC1)Oc1ccc2ncc(F)cc2n1 ZINC001233735185 857390299 /nfs/dbraw/zinc/39/02/99/857390299.db2.gz LKNKPMAJJXOFOE-GFCCVEGCSA-N 0 2 371.390 0.736 20 0 FCADLN CCOC(=O)[C@@H](C)n1cc(NS(=O)(=O)c2cc(N)ccc2N)cn1 ZINC001248398731 857625253 /nfs/dbraw/zinc/62/52/53/857625253.db2.gz PMAMLTJJZYSSMP-SECBINFHSA-N 0 2 353.404 0.972 20 0 FCADLN COCCn1c(=O)ccc2c1CC[C@H](NS(=O)(=O)CC(F)(F)F)C2 ZINC001253210277 857873159 /nfs/dbraw/zinc/87/31/59/857873159.db2.gz HXIQZUXBBKRDOU-NSHDSACASA-N 0 2 368.377 0.834 20 0 FCADLN CN(CCO)c1cc(NS(=O)(=O)c2ccc3c(c2)OCCO3)ncn1 ZINC001259339776 858260180 /nfs/dbraw/zinc/26/01/80/858260180.db2.gz JLTWQTMTRQQEFZ-UHFFFAOYSA-N 0 2 366.399 0.477 20 0 FCADLN COC(=O)C1CN(c2ccccc2NS(=O)(=O)c2cnn(C)c2)C1 ZINC001259827127 858289668 /nfs/dbraw/zinc/28/96/68/858289668.db2.gz KIJHGEGSXBNDRQ-UHFFFAOYSA-N 0 2 350.400 0.830 20 0 FCADLN Cn1ccc(S(=O)(=O)[N-]c2ccc(OCC[NH+]3CCOCC3)cc2)n1 ZINC001259943056 858313415 /nfs/dbraw/zinc/31/34/15/858313415.db2.gz FXICORUYASLTCN-UHFFFAOYSA-N 0 2 366.443 0.932 20 0 FCADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)NCCO2 ZINC001260104842 858331633 /nfs/dbraw/zinc/33/16/33/858331633.db2.gz RTPPTKOQNSOHAZ-UHFFFAOYSA-N 0 2 350.400 0.960 20 0 FCADLN COc1nc(NS(=O)(=O)c2nc3nc(Cl)ccn3n2)cc(=O)[nH]1 ZINC001260167354 858341064 /nfs/dbraw/zinc/34/10/64/858341064.db2.gz ZFSKSLBHLPPZHI-UHFFFAOYSA-N 0 2 357.739 0.083 20 0 FCADLN O=C([O-])c1cccc(S(=O)(=O)NCC2CC[NH+](C3COC3)CC2)c1 ZINC001260195093 858353964 /nfs/dbraw/zinc/35/39/64/858353964.db2.gz XTLQDOXRAGHGHZ-UHFFFAOYSA-N 0 2 354.428 0.774 20 0 FCADLN C[N@H+](C1CN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)C1)[C@@H]1CCOC1 ZINC001260396889 858367280 /nfs/dbraw/zinc/36/72/80/858367280.db2.gz CBPABFOYDOXUPB-SNVBAGLBSA-N 0 2 356.400 0.184 20 0 FCADLN C[N@@H+](C1CN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)C1)[C@@H]1CCOC1 ZINC001260396889 858367287 /nfs/dbraw/zinc/36/72/87/858367287.db2.gz CBPABFOYDOXUPB-SNVBAGLBSA-N 0 2 356.400 0.184 20 0 FCADLN CS(=O)(=O)CS(=O)(=O)Nc1cnc2c(C(F)(F)F)cnn2c1 ZINC001260584828 858387231 /nfs/dbraw/zinc/38/72/31/858387231.db2.gz BWACNDZXLRMHOB-UHFFFAOYSA-N 0 2 358.323 0.492 20 0 FCADLN COCCn1nccc1NS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001260600722 858400541 /nfs/dbraw/zinc/40/05/41/858400541.db2.gz NCKGQTJOAFKSIX-UHFFFAOYSA-N 0 2 359.429 0.734 20 0 FCADLN CCOc1cc(NS(=O)(=O)c2c(C)n[nH]c2C)cc(C(=O)OC)n1 ZINC001261023558 858436734 /nfs/dbraw/zinc/43/67/34/858436734.db2.gz BGWVXPSUCBGEDI-UHFFFAOYSA-N 0 2 354.388 0.830 20 0 FCADLN Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(S(=O)(=O)CCCO)cc1 ZINC001261029973 858439115 /nfs/dbraw/zinc/43/91/15/858439115.db2.gz CGEUTUFTFOZQKX-UHFFFAOYSA-N 0 2 373.456 0.983 20 0 FCADLN CCC[C@](C)(NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)[O-] ZINC001262171574 858806310 /nfs/dbraw/zinc/80/63/10/858806310.db2.gz ZTMIGCHEDDPEAJ-INIZCTEOSA-N 0 2 353.423 0.980 20 0 FCADLN CO[C@@]1(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)CCS(=O)(=O)C1 ZINC001264363161 859351563 /nfs/dbraw/zinc/35/15/63/859351563.db2.gz QCSFYZPAPAPEMN-AWEZNQCLSA-N 0 2 371.440 0.559 20 0 FCADLN O=C(c1cccc(Cl)c1O)N1CC[C@]2(C1)CN(C1COC1)C(=O)CO2 ZINC001271910805 860042648 /nfs/dbraw/zinc/04/26/48/860042648.db2.gz XMAXZLDGWFYGSO-KRWDZBQOSA-N 0 2 366.801 0.888 20 0 FCADLN O=C(CNC(=O)C(F)(F)F)N1CCC[C@]12CCN(CC(F)F)C2=O ZINC001272819830 860271377 /nfs/dbraw/zinc/27/13/77/860271377.db2.gz QZLATVJMBGEYAZ-GFCCVEGCSA-N 0 2 357.279 0.524 20 0 FCADLN NC(=O)[C@@H]1CCN(C(=O)c2csc3c2[nH]cnc3=O)Cc2ccnn21 ZINC001272863831 860284049 /nfs/dbraw/zinc/28/40/49/860284049.db2.gz FFPKAIIRZWFCDC-JTQLQIEISA-N 0 2 358.383 0.666 20 0 FCADLN C[C@H]1c2nc(C(=O)N(C)C)cn2CCN1C(=O)CNC(=O)C(F)(F)F ZINC001274888591 860864669 /nfs/dbraw/zinc/86/46/69/860864669.db2.gz KRPXEEDKODICMG-QMMMGPOBSA-N 0 2 361.324 0.167 20 0 FCADLN O=C(CCc1cccnc1)N[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@@H]1O ZINC001289666743 865207771 /nfs/dbraw/zinc/20/77/71/865207771.db2.gz AAPHNHBPLRWFHT-NTZNESFSSA-N 0 2 363.311 0.603 20 0 FCADLN O=C(CCc1cccnc1)N[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@@H]1O ZINC001289666743 865207781 /nfs/dbraw/zinc/20/77/81/865207781.db2.gz AAPHNHBPLRWFHT-NTZNESFSSA-N 0 2 363.311 0.603 20 0 FCADLN Cc1cccc(CS(=O)(=O)CCC(=O)NCc2nc(O)cc(=O)[nH]2)c1 ZINC001301575260 866271273 /nfs/dbraw/zinc/27/12/73/866271273.db2.gz HHPGIIZKALNCOL-UHFFFAOYSA-N 0 2 365.411 0.818 20 0 FCADLN CC(C)(CNS(N)(=O)=O)NC(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC001303234373 866397049 /nfs/dbraw/zinc/39/70/49/866397049.db2.gz HDCYPASIJINEAK-UHFFFAOYSA-N 0 2 371.394 0.019 20 0 FCADLN CCCCn1cc(C(=O)NCc2nnc(CS(C)(=O)=O)[nH]2)c(C)n1 ZINC001304087593 866498925 /nfs/dbraw/zinc/49/89/25/866498925.db2.gz YNNLQKUUMRKUDZ-UHFFFAOYSA-N 0 2 354.436 0.584 20 0 FCADLN CC[C@H]1CCCC[C@H]1OCC(=O)NCc1nnc(CS(C)(=O)=O)[nH]1 ZINC001304087551 866499124 /nfs/dbraw/zinc/49/91/24/866499124.db2.gz XOPRRAFFQSUDHA-NWDGAFQWSA-N 0 2 358.464 0.951 20 0 FCADLN CS(=O)(=O)Cc1nnc(CNC(=O)[C@@H]2COc3ccccc3C2)[nH]1 ZINC001304087516 866499493 /nfs/dbraw/zinc/49/94/93/866499493.db2.gz YCWRRRJITIGSKW-NSHDSACASA-N 0 2 350.400 0.217 20 0 FCADLN CC[C@@H](NS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)C(=O)N1CCOCC1 ZINC001309264088 866769786 /nfs/dbraw/zinc/76/97/86/866769786.db2.gz WVKKYDBJUXBQOI-XFNZEKPQSA-N 0 2 369.509 0.355 20 0 FCADLN CCS(=O)(CC)=NS(=O)(=O)NC[C@@H](O)c1c(C)nn(C)c1C ZINC001309949622 866985558 /nfs/dbraw/zinc/98/55/58/866985558.db2.gz OZEVTTOLSIIBIT-LLVKDONJSA-N 0 2 352.482 0.413 20 0 FCADLN C[C@H]1Cc2cc(NC(=O)NCc3nnc(CS(C)(=O)=O)[nH]3)ccc2O1 ZINC001311250595 867088216 /nfs/dbraw/zinc/08/82/16/867088216.db2.gz BSUSERUFVISATA-VIFPVBQESA-N 0 2 365.415 0.994 20 0 FCADLN CCO[C@@H]1CCCC[C@H]1NC(=O)NCc1nnc(CS(C)(=O)=O)[nH]1 ZINC001312858178 867206710 /nfs/dbraw/zinc/20/67/10/867206710.db2.gz KINJCQCESCIYHY-GHMZBOCLSA-N 0 2 359.452 0.496 20 0 FCADLN CC(C)C[C@@H]1COCCN1C(=O)NCc1nnc(CS(C)(=O)=O)[nH]1 ZINC001313344602 867265713 /nfs/dbraw/zinc/26/57/13/867265713.db2.gz GAHJCHQSLLJHMZ-LLVKDONJSA-N 0 2 359.452 0.306 20 0 FCADLN COCCC1CCN(C(=O)NCc2nnc(CS(C)(=O)=O)[nH]2)CC1 ZINC001313346152 867267744 /nfs/dbraw/zinc/26/77/44/867267744.db2.gz IXHZUXJYEXLJKR-UHFFFAOYSA-N 0 2 359.452 0.307 20 0 FCADLN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)NCc1nnc(CS(C)(=O)=O)[nH]1 ZINC001313347407 867268758 /nfs/dbraw/zinc/26/87/58/867268758.db2.gz NGZNAXOIQXSNKT-SFYZADRCSA-N 0 2 369.369 0.832 20 0 FCADLN C[N@@H+]1CCO[C@H]([C@H](NC(=O)COCC(=O)[O-])c2ccc(Cl)cc2)C1 ZINC001354083002 867546488 /nfs/dbraw/zinc/54/64/88/867546488.db2.gz JZDPLASDWUSGGC-XJKSGUPXSA-N 0 2 356.806 0.929 20 0 FCADLN C[N@H+]1CCO[C@H]([C@H](NC(=O)COCC(=O)[O-])c2ccc(Cl)cc2)C1 ZINC001354083002 867546493 /nfs/dbraw/zinc/54/64/93/867546493.db2.gz JZDPLASDWUSGGC-XJKSGUPXSA-N 0 2 356.806 0.929 20 0 FCADLN COC(=O)[C@H](CNC(=O)C[C@@H]1SC(=N)NC1=O)Cc1ccncc1 ZINC001318731146 867736826 /nfs/dbraw/zinc/73/68/26/867736826.db2.gz KLPYTNBCHFTEJC-QWRGUYRKSA-N 0 2 350.400 0.086 20 0 FCADLN CC(C)n1cc(S(=O)(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)cn1 ZINC001318755122 867742596 /nfs/dbraw/zinc/74/25/96/867742596.db2.gz KTVSSNPRJCNDMG-NSHDSACASA-N 0 2 373.460 0.821 20 0 FCADLN C[C@@H](NC(=O)Cn1[nH]cc2c(=O)ncnc1-2)c1ccc([S@@](C)=O)cc1 ZINC001319592496 867958416 /nfs/dbraw/zinc/95/84/16/867958416.db2.gz BVKAZUVJZYWTQW-REFGNXHDSA-N 0 2 359.411 0.686 20 0 FCADLN CCc1n[nH]c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)n1 ZINC001320006593 868056892 /nfs/dbraw/zinc/05/68/92/868056892.db2.gz VKFDWRSMFJYTEZ-UHFFFAOYSA-N 0 2 355.376 0.233 20 0 FCADLN O=C([O-])c1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1F ZINC001320180912 868102909 /nfs/dbraw/zinc/10/29/09/868102909.db2.gz GILBJEOEVMSITI-GFCCVEGCSA-N 0 2 372.418 0.867 20 0 FCADLN 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ZINC001219670069 855762783 /nfs/dbraw/zinc/76/27/83/855762783.db2.gz NLEHZHCFYAFKEP-VDDIYKPWSA-N 0 2 368.331 0.830 20 0 FCADLN COc1cc(CN2C[C@@H](NC(=O)C(F)C(F)(F)F)[C@@H](O)C2)ccn1 ZINC001219668375 855763276 /nfs/dbraw/zinc/76/32/76/855763276.db2.gz XADNQPVLZZCSLG-SCVCMEIPSA-N 0 2 351.300 0.652 20 0 FCADLN CC(C)(C)OC(=O)CCO[C@H](C[NH+]1CCOCC1)CS(=O)(=O)[O-] ZINC001222187001 856811324 /nfs/dbraw/zinc/81/13/24/856811324.db2.gz HOAJVSBNKHAVQA-GFCCVEGCSA-N 0 2 353.437 0.323 20 0 FCADLN O=S(=O)([O-])C[C@H](C[NH+]1CCOCC1)OCc1cccc2c1OCO2 ZINC001223264106 856905771 /nfs/dbraw/zinc/90/57/71/856905771.db2.gz OOZHMGRWCKJPEF-ZDUSSCGKSA-N 0 2 359.400 0.521 20 0 FCADLN O=S(=O)([O-])C[C@H](C[NH+]1CCOCC1)OCc1cccc2c1OCCO2 ZINC001223280849 856907051 /nfs/dbraw/zinc/90/70/51/856907051.db2.gz RIBNFKVUYKYVOW-AWEZNQCLSA-N 0 2 373.427 0.563 20 0 FCADLN Cn1c(CO[C@@H](C[NH+]2CCOCC2)CS(=O)(=O)[O-])nc2ccccc21 ZINC001223354226 856910496 /nfs/dbraw/zinc/91/04/96/856910496.db2.gz VGZALZMXDMGTCL-ZDUSSCGKSA-N 0 2 369.443 0.679 20 0 FCADLN O=S(=O)([O-])C[C@H](C[NH+]1CCOCC1)OCc1ccc2ocnc2c1 ZINC001223815517 856945200 /nfs/dbraw/zinc/94/52/00/856945200.db2.gz CRMYGAHIPUMJTA-ZDUSSCGKSA-N 0 2 356.400 0.933 20 0 FCADLN O=S(=O)([O-])C[C@H](C[NH+]1CCOCC1)OCc1cccc2ocnc21 ZINC001224049402 856957569 /nfs/dbraw/zinc/95/75/69/856957569.db2.gz JZNGYQGGTGSGSH-ZDUSSCGKSA-N 0 2 356.400 0.933 20 0 FCADLN Cc1ccccc1OCCO[C@@H](C[NH+]1CCOCC1)CS(=O)(=O)[O-] ZINC001224317010 856978677 /nfs/dbraw/zinc/97/86/77/856978677.db2.gz CFOKGLMMQQOIMK-HNNXBMFYSA-N 0 2 359.444 0.979 20 0 FCADLN CC(C)(C)OC(=O)CCCO[C@H](C[NH+]1CCOCC1)CS(=O)(=O)[O-] ZINC001224630539 856993590 /nfs/dbraw/zinc/99/35/90/856993590.db2.gz XFWBRSAMDMCARM-CYBMUJFWSA-N 0 2 367.464 0.714 20 0 FCADLN Cc1cc2c(cc1O[C@@H](C[NH+]1CCOCC1)CS(=O)(=O)[O-])CC(=O)N2 ZINC001225516890 857046629 /nfs/dbraw/zinc/04/66/29/857046629.db2.gz WXEOSYPJVTUERZ-ZDUSSCGKSA-N 0 2 370.427 0.457 20 0 FCADLN Cc1ccc2[nH]c(O[C@H](C[NH+]3CCOCC3)CS(=O)(=O)[O-])nc2c1 ZINC001226506972 857107676 /nfs/dbraw/zinc/10/76/76/857107676.db2.gz WBHMLYAPESYDMR-GFCCVEGCSA-N 0 2 355.416 0.839 20 0 FCADLN O=C1CCc2ccc(O[C@@H](C[NH+]3CCOCC3)CS(=O)(=O)[O-])cc2N1 ZINC001226864055 857128795 /nfs/dbraw/zinc/12/87/95/857128795.db2.gz LIBJBPRTDMUEOH-AWEZNQCLSA-N 0 2 370.427 0.539 20 0 FCADLN CCOC(=O)c1ccc(O[C@H](C[NH+]2CCOCC2)CS(=O)(=O)[O-])cc1 ZINC001227442739 857160473 /nfs/dbraw/zinc/16/04/73/857160473.db2.gz OVHQGXOHSNWHTD-OAHLLOKOSA-N 0 2 373.427 0.831 20 0 FCADLN CCOC(=O)c1ccc(O[C@@H](C[NH+]2CCOCC2)CS(=O)(=O)[O-])cc1 ZINC001227442738 857160591 /nfs/dbraw/zinc/16/05/91/857160591.db2.gz OVHQGXOHSNWHTD-HNNXBMFYSA-N 0 2 373.427 0.831 20 0 FCADLN O=c1nc2ncsc2c(OC[C@H]2COCCOCCOCCO2)[nH]1 ZINC001227611956 857166887 /nfs/dbraw/zinc/16/68/87/857166887.db2.gz UTXSYRHDIWJDFW-SNVBAGLBSA-N 0 2 357.388 0.619 20 0 FCADLN O=c1cc(I)nc(O[C@@H]2CCS(=O)(=O)C2)[nH]1 ZINC001228946969 857240666 /nfs/dbraw/zinc/24/06/66/857240666.db2.gz QUBQURNQQCUVAU-RXMQYKEDSA-N 0 2 356.141 0.353 20 0 FCADLN CCN1C(=S)N=NC1CCNC(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC001229800443 857287936 /nfs/dbraw/zinc/28/79/36/857287936.db2.gz IIVSSTPRSKTYRE-SECBINFHSA-N 0 2 366.451 0.542 20 0 FCADLN O=S(=O)([O-])C[C@@H](C[NH+]1CCOCC1)Oc1ccc2ncccc2n1 ZINC001230716065 857345913 /nfs/dbraw/zinc/34/59/13/857345913.db2.gz FQFFHSJGZNKIIF-GFCCVEGCSA-N 0 2 353.400 0.597 20 0 FCADLN O=S(=O)([O-])C[C@@H](C[NH+]1CCOCC1)Oc1nc2c(cccc2F)[nH]1 ZINC001233928265 857393217 /nfs/dbraw/zinc/39/32/17/857393217.db2.gz CNFZNKBVANAOKI-SNVBAGLBSA-N 0 2 359.379 0.669 20 0 FCADLN Cc1cc2c[nH]nc2cc1O[C@H](C[NH+]1CCOCC1)CS(=O)(=O)[O-] ZINC001234032660 857395052 /nfs/dbraw/zinc/39/50/52/857395052.db2.gz IGOUMGOAICNLRA-CYBMUJFWSA-N 0 2 355.416 0.839 20 0 FCADLN O=S(=O)([O-])C[C@@H](C[NH+]1CCOCC1)Oc1nc2c(cccc2O)[nH]1 ZINC001234445598 857406266 /nfs/dbraw/zinc/40/62/66/857406266.db2.gz ATPDFCFUBBKFGQ-SNVBAGLBSA-N 0 2 357.388 0.236 20 0 FCADLN CCOC(=O)[C@H]([NH3+])CNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001238839244 857483613 /nfs/dbraw/zinc/48/36/13/857483613.db2.gz DXPLQAWSKHALLD-SECBINFHSA-N 0 2 368.770 0.346 20 0 FCADLN O=C(c1ccc(-c2ccc3[nH]nnc3c2)nc1)N1CCS(=O)(=O)CC1 ZINC001241940025 857541843 /nfs/dbraw/zinc/54/18/43/857541843.db2.gz WEVQHUDRUWYQDN-UHFFFAOYSA-N 0 2 357.395 0.891 20 0 FCADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)CCCN1C(=O)CNC1=O ZINC001248609434 857633778 /nfs/dbraw/zinc/63/37/78/857633778.db2.gz ZFCBZKQBLMGPEW-UHFFFAOYSA-N 0 2 363.399 0.687 20 0 FCADLN COC(=O)Cn1cc(S(=O)(=O)Nc2ccc(C(=O)OC)cc2C)cn1 ZINC001252237633 857788572 /nfs/dbraw/zinc/78/85/72/857788572.db2.gz NGIRJRHPTIIFKA-UHFFFAOYSA-N 0 2 367.383 0.952 20 0 FCADLN Cc1cc(S(=O)(=O)Nc2c(O)[nH]c(=O)[nH]c2=S)c(C)cc1Cl ZINC001256224801 858058573 /nfs/dbraw/zinc/05/85/73/858058573.db2.gz UWQDMKZKLVOWOL-VIFPVBQESA-N 0 2 361.832 0.771 20 0 FCADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)C(=O)NC[C@@]1(C)CCOC1 ZINC001258384125 858195260 /nfs/dbraw/zinc/19/52/60/858195260.db2.gz UAYBCDHERFOVJB-MRXNPFEDSA-N 0 2 364.427 0.898 20 0 FCADLN CCOC(=O)[C@@H](NS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)[C@@H](C)O ZINC001258974879 858214803 /nfs/dbraw/zinc/21/48/03/858214803.db2.gz FPGBNZCWARGFOB-IZBNFRDHSA-N 0 2 361.460 0.614 20 0 FCADLN Cn1cnc(S(=O)(=O)[N-]c2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC001258998823 858219742 /nfs/dbraw/zinc/21/97/42/858219742.db2.gz MJYCPMFNSBEHTP-UHFFFAOYSA-N 0 2 366.443 0.932 20 0 FCADLN COc1ccc(CS(=O)(=O)Nc2ncnc3c2ncn3CCO)cc1 ZINC001259892771 858301442 /nfs/dbraw/zinc/30/14/42/858301442.db2.gz MPLZZSONSPCKIW-UHFFFAOYSA-N 0 2 363.399 0.769 20 0 FCADLN CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)C2CCOCC2)c(O)c1 ZINC001259914929 858305706 /nfs/dbraw/zinc/30/57/06/858305706.db2.gz DSODZXYRBALFGY-UHFFFAOYSA-N 0 2 364.445 0.563 20 0 FCADLN NC(=O)c1nnc2n1CCN(C(=O)c1cc(O)c(Cl)c(F)c1F)C2 ZINC001279689780 863011047 /nfs/dbraw/zinc/01/10/47/863011047.db2.gz JQCRNUYDBSHFNI-UHFFFAOYSA-N 0 2 357.704 0.670 20 0 FCADLN CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cnc2cnccn21 ZINC001260516286 858376763 /nfs/dbraw/zinc/37/67/63/858376763.db2.gz ZOOSIQFALATMOC-UHFFFAOYSA-N 0 2 352.397 0.934 20 0 FCADLN CN(C)C(=O)c1nnc2n1CCN(C(=O)c1ccc(F)c(F)c1O)C2 ZINC001279700822 863017412 /nfs/dbraw/zinc/01/74/12/863017412.db2.gz PLKRJYXYYIQXED-UHFFFAOYSA-N 0 2 351.313 0.620 20 0 FCADLN O=C(NCC1COC1)[C@@]12C[C@@H]1CN(C(=O)c1ccc(F)c(F)c1O)C2 ZINC001279701464 863017431 /nfs/dbraw/zinc/01/74/31/863017431.db2.gz YHBFUBZOJUOHSP-BMLIUANNSA-N 0 2 352.337 0.895 20 0 FCADLN Cc1cnn(CCO)c1NS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001260600896 858400461 /nfs/dbraw/zinc/40/04/61/858400461.db2.gz XALIPIVRUVZJCV-UHFFFAOYSA-N 0 2 359.429 0.388 20 0 FCADLN COC(=O)[C@H](NS(=O)(=O)c1cnc(NC(C)=O)s1)C(F)(F)F ZINC001260711352 858418739 /nfs/dbraw/zinc/41/87/39/858418739.db2.gz ZPQHMJRLJFDXPY-LURJTMIESA-N 0 2 361.323 0.484 20 0 FCADLN COCCOCN1CCC12CN(C(=O)c1csc3c1[nH]cnc3=O)C2 ZINC001270442423 859753855 /nfs/dbraw/zinc/75/38/55/859753855.db2.gz RLONEIAADFQFJZ-UHFFFAOYSA-N 0 2 364.427 0.918 20 0 FCADLN Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CC[N@H+](CC1CCSCC1)C2 ZINC001280165716 863302604 /nfs/dbraw/zinc/30/26/04/863302604.db2.gz CKSRIAFDAVMHLI-UHFFFAOYSA-N 0 2 362.463 0.109 20 0 FCADLN Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CC[N@@H+](CC1CCSCC1)C2 ZINC001280165716 863302614 /nfs/dbraw/zinc/30/26/14/863302614.db2.gz CKSRIAFDAVMHLI-UHFFFAOYSA-N 0 2 362.463 0.109 20 0 FCADLN CO[C@@H]1CN(C(=O)CCOC(C)C)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001289519997 865115621 /nfs/dbraw/zinc/11/56/21/865115621.db2.gz NQFPCVBQIGHKRS-HUUCEWRRSA-N 0 2 352.435 0.418 20 0 FCADLN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[C@H](NC(=O)C(F)C(F)(F)F)CC1 ZINC001297635696 866046844 /nfs/dbraw/zinc/04/68/44/866046844.db2.gz POFZZHVOSGZKEP-GRDBIXFFSA-N 0 2 353.316 0.552 20 0 FCADLN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001297635696 866046853 /nfs/dbraw/zinc/04/68/53/866046853.db2.gz POFZZHVOSGZKEP-GRDBIXFFSA-N 0 2 353.316 0.552 20 0 FCADLN CS(=O)(=O)Cc1nnc(CNC(=O)c2ccn(CC(F)(F)F)n2)[nH]1 ZINC001304085474 866495552 /nfs/dbraw/zinc/49/55/52/866495552.db2.gz BSMMRKSZKRNROQ-UHFFFAOYSA-N 0 2 366.325 0.038 20 0 FCADLN CS(=O)(=O)Cc1nnc(CNC(=O)c2cccc3scnc32)[nH]1 ZINC001304086540 866497604 /nfs/dbraw/zinc/49/76/04/866497604.db2.gz LUMPIEAJGKUOOS-UHFFFAOYSA-N 0 2 351.413 0.889 20 0 FCADLN C[C@H](OCc1ccc(F)cc1)C(=O)NCc1nnc(CS(C)(=O)=O)[nH]1 ZINC001304087235 866497699 /nfs/dbraw/zinc/49/76/99/866497699.db2.gz VLOUNHAKZVYDHE-JTQLQIEISA-N 0 2 370.406 0.710 20 0 FCADLN CC(C)(C)c1cnc(CCC(=O)NCc2nnc(CS(C)(=O)=O)[nH]2)o1 ZINC001304087646 866499277 /nfs/dbraw/zinc/49/92/77/866499277.db2.gz ZKPXAJOPANVGGO-UHFFFAOYSA-N 0 2 369.447 0.884 20 0 FCADLN Cc1cc(NC(=O)CSCC(=O)N[C@H](C)c2nn(C)cc2O)no1 ZINC001304545572 866535189 /nfs/dbraw/zinc/53/51/89/866535189.db2.gz WKKDQAJFYYARLD-SECBINFHSA-N 0 2 353.404 0.971 20 0 FCADLN COC(=O)c1cc(C2CN(C(=O)C(C)(C)NC(=O)C(F)(F)F)C2)[nH]n1 ZINC001304855165 866555606 /nfs/dbraw/zinc/55/56/06/866555606.db2.gz YCZSEHQYUFXSJA-UHFFFAOYSA-N 0 2 362.308 0.579 20 0 FCADLN O=C([O-])[C@@H](CC(F)F)NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 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362.291 0.500 20 0 FCADLN CCN(CCNC(=O)C(F)C(F)(F)F)c1cncc(-c2nn[nH]n2)n1 ZINC001577930321 1275144548 /nfs/dbraw/zinc/14/45/48/1275144548.db2.gz SXRNDEFPCHNCEJ-VIFPVBQESA-N 0 2 362.291 0.500 20 0 FCADLN CCN(CCNC(=O)[C@H](F)C(F)(F)F)c1cncc(-c2nn[nH]n2)n1 ZINC001577930321 1275144551 /nfs/dbraw/zinc/14/45/51/1275144551.db2.gz SXRNDEFPCHNCEJ-VIFPVBQESA-N 0 2 362.291 0.500 20 0 FCADLN O=C(CCCCc1cn[nH]n1)N1CC[C@@]2(NC(=O)c3cn[nH]n3)CCC[C@H]12 ZINC001577975912 1275201975 /nfs/dbraw/zinc/20/19/75/1275201975.db2.gz OCFHLKMCLGWUHS-YOEHRIQHSA-N 0 2 372.433 0.589 20 0 FCADLN O=C(CCCc1cnn[nH]1)N1CC[C@H](CNC(=O)c2n[nH]c3c2CCC3)C1 ZINC001577999485 1275253672 /nfs/dbraw/zinc/25/36/72/1275253672.db2.gz VTCBADHCWICLSL-GFCCVEGCSA-N 0 2 371.445 0.618 20 0 FCADLN O=C(NC[C@H]1C[C@@H]([NH2+]Cc2c[nH]nn2)C1)c1cccc(-n2cccn2)n1 ZINC001578013581 1275281906 /nfs/dbraw/zinc/28/19/06/1275281906.db2.gz VGTQAYOGAMINIQ-BETUJISGSA-N 0 2 352.402 0.684 20 0 FCADLN CCN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)c1ccnc(-c2nn[nH]n2)n1 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/nfs/dbraw/zinc/04/96/47/1278049647.db2.gz SHRYCQBISHINNF-UHFFFAOYSA-N 0 2 366.436 0.304 20 0 FCADLN CSCc1nnc(CNC(=O)NCc2nc(-c3nn[nH]n3)cs2)[nH]1 ZINC001580226263 1278049653 /nfs/dbraw/zinc/04/96/53/1278049653.db2.gz SHRYCQBISHINNF-UHFFFAOYSA-N 0 2 366.436 0.304 20 0 FCADLN Cc1cc(C)c(C(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)s1 ZINC001580902932 1279105033 /nfs/dbraw/zinc/10/50/33/1279105033.db2.gz PJQUDNIWNIMDGC-UHFFFAOYSA-N 0 2 361.387 0.237 20 0 FCADLN Cc1cc(CCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)n[nH]1 ZINC001580920149 1279127115 /nfs/dbraw/zinc/12/71/15/1279127115.db2.gz GAMHABRGFNMLNG-UHFFFAOYSA-N 0 2 358.410 0.227 20 0 FCADLN Cc1ccc(-c2nn[nH]n2)c(N2CC[C@@H](NC(=O)CCc3cnn[nH]3)C2)n1 ZINC001581071407 1279324851 /nfs/dbraw/zinc/32/48/51/1279324851.db2.gz MFAGPUHFEJEYML-GFCCVEGCSA-N 0 2 368.405 0.016 20 0 FCADLN Cc1ccc(-c2nn[nH]n2)c(N[C@H]2C[C@@H](NC(=O)CCc3cnn[nH]3)C2)n1 ZINC001581132462 1279434437 /nfs/dbraw/zinc/43/44/37/1279434437.db2.gz LHTWGHYXKUMAGJ-TXEJJXNPSA-N 0 2 368.405 0.380 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/nfs/dbraw/zinc/80/35/76/845803576.db2.gz OXZLKAUDFWCJHQ-NDBYEHHHSA-N 0 2 353.423 0.173 20 0 FCADLN Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](C)CS(C)(=O)=O)c1[O-] ZINC001110447717 845892807 /nfs/dbraw/zinc/89/28/07/845892807.db2.gz QUSXFQOQLCUJQB-JHEVNIALSA-N 0 2 370.475 0.440 20 0 FCADLN Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H](C)CS(C)(=O)=O)c1[O-] ZINC001110447717 845892815 /nfs/dbraw/zinc/89/28/15/845892815.db2.gz QUSXFQOQLCUJQB-JHEVNIALSA-N 0 2 370.475 0.440 20 0 FCADLN CS(=O)(=O)NCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001110582298 845922881 /nfs/dbraw/zinc/92/28/81/845922881.db2.gz AOCUPKCNIGIMIU-IMSYWVGJSA-N 0 2 361.361 0.158 20 0 FCADLN CCOCCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001110580133 845922976 /nfs/dbraw/zinc/92/29/76/845922976.db2.gz ZDJIAWCHJFQSRB-DCQANWLSSA-N 0 2 369.359 0.761 20 0 FCADLN CSC[C@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001112071129 846350917 /nfs/dbraw/zinc/35/09/17/846350917.db2.gz RSPGLYXSQNQBKT-DJLDLDEBSA-N 0 2 367.397 0.988 20 0 FCADLN O=C(c1cc(S(=O)(=O)Nc2cnn(CCO)c2)c[nH]1)N1CCCC1 ZINC001115966215 846584184 /nfs/dbraw/zinc/58/41/84/846584184.db2.gz OCDHMODUDTXJDJ-UHFFFAOYSA-N 0 2 353.404 0.240 20 0 FCADLN COCc1nc(S(=O)(=O)CC(=O)Nc2ccc(OC)cc2OC)n[nH]1 ZINC001116276470 846645487 /nfs/dbraw/zinc/64/54/87/846645487.db2.gz QBTPRHGDGZLVFV-UHFFFAOYSA-N 0 2 370.387 0.381 20 0 FCADLN Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c(C)c1C(=O)[O-] ZINC001116605068 846717427 /nfs/dbraw/zinc/71/74/27/846717427.db2.gz FMQHFDMSIJZNBL-CYBMUJFWSA-N 0 2 355.460 0.526 20 0 FCADLN Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2C)c(C)c1C(=O)[O-] ZINC001116605068 846717432 /nfs/dbraw/zinc/71/74/32/846717432.db2.gz FMQHFDMSIJZNBL-CYBMUJFWSA-N 0 2 355.460 0.526 20 0 FCADLN C[C@H](CS(C)(=O)=O)NC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC001116653256 846726771 /nfs/dbraw/zinc/72/67/71/846726771.db2.gz XCFZAAXCYRGECP-MRVPVSSYSA-N 0 2 358.445 0.971 20 0 FCADLN O=S(=O)(Cc1nnc2n1CCOC2)c1n[nH]c(-c2ccccc2F)n1 ZINC001116903805 846800515 /nfs/dbraw/zinc/80/05/15/846800515.db2.gz SRYPUSGUERBSHP-UHFFFAOYSA-N 0 2 364.362 0.706 20 0 FCADLN CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)C[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC001119650278 847923570 /nfs/dbraw/zinc/92/35/70/847923570.db2.gz SSHFPJKNNBSLLK-CQSZACIVSA-N 0 2 368.455 0.845 20 0 FCADLN CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)C[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC001119650278 847923579 /nfs/dbraw/zinc/92/35/79/847923579.db2.gz SSHFPJKNNBSLLK-CQSZACIVSA-N 0 2 368.455 0.845 20 0 FCADLN CCOc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2CO)ccc1OCC(=O)[O-] ZINC001123299382 848584022 /nfs/dbraw/zinc/58/40/22/848584022.db2.gz ZYJNDRBUXXVHIY-CYBMUJFWSA-N 0 2 352.387 0.297 20 0 FCADLN CCOc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)ccc1OCC(=O)[O-] ZINC001123299382 848584026 /nfs/dbraw/zinc/58/40/26/848584026.db2.gz ZYJNDRBUXXVHIY-CYBMUJFWSA-N 0 2 352.387 0.297 20 0 FCADLN Cc1ncc(CO)c(CN2CC[NH+](CCCCS(=O)(=O)[O-])CC2)c1O ZINC001140871244 849372215 /nfs/dbraw/zinc/37/22/15/849372215.db2.gz RASGTNYZMOKIFT-UHFFFAOYSA-N 0 2 373.475 0.374 20 0 FCADLN Cc1ncc(CO)c(C[NH+]2CCN(CCCCS(=O)(=O)[O-])CC2)c1O ZINC001140871244 849372230 /nfs/dbraw/zinc/37/22/30/849372230.db2.gz RASGTNYZMOKIFT-UHFFFAOYSA-N 0 2 373.475 0.374 20 0 FCADLN CC[C@H](O)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2nnn(C)n2)cc1 ZINC001153839414 849760626 /nfs/dbraw/zinc/76/06/26/849760626.db2.gz LQPYBJLVBVPYHZ-CABZTGNLSA-N 0 2 368.419 0.356 20 0 FCADLN O=C(c1c[nH]c2cccnc2c1=O)N1CCN(C(=O)C(F)(F)F)CC1 ZINC001153856370 849762019 /nfs/dbraw/zinc/76/20/19/849762019.db2.gz IXOGNLCRCIZCCP-UHFFFAOYSA-N 0 2 354.288 0.770 20 0 FCADLN O=C(c1ccc(Cc2nnc[nH]2)cc1)N1CCSC[C@H]1c1nn[nH]n1 ZINC001154777933 849813343 /nfs/dbraw/zinc/81/33/43/849813343.db2.gz ZOMPGYDVLNJGRA-LBPRGKRZSA-N 0 2 356.415 0.839 20 0 FCADLN CNS(=O)(=O)c1ccc(CC(=O)NCCc2n[nH]c(=S)o2)cc1 ZINC001154907192 849820572 /nfs/dbraw/zinc/82/05/72/849820572.db2.gz MKFNCPHHYJITFB-UHFFFAOYSA-N 0 2 356.429 0.168 20 0 FCADLN COc1cccc2c1[C@@H](C(=O)NCc1nnc(CS(C)(=O)=O)[nH]1)CC2 ZINC001157027448 849939247 /nfs/dbraw/zinc/93/92/47/849939247.db2.gz POTCHNFCSOLBHO-NSHDSACASA-N 0 2 364.427 0.704 20 0 FCADLN CN(C)c1ccc(C(=O)NCc2nnc(CS(C)(=O)=O)[nH]2)cc1F ZINC001157027486 849939605 /nfs/dbraw/zinc/93/96/05/849939605.db2.gz QTXFYAMJHAHAPT-UHFFFAOYSA-N 0 2 355.395 0.484 20 0 FCADLN CCOc1c(F)cccc1C(=O)NCc1nnc(CS(C)(=O)=O)[nH]1 ZINC001157027858 849941395 /nfs/dbraw/zinc/94/13/95/849941395.db2.gz YCBCBSFIEKYYIF-UHFFFAOYSA-N 0 2 356.379 0.817 20 0 FCADLN CNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)c2nn(C)cc2O)cc1 ZINC001158305467 850034789 /nfs/dbraw/zinc/03/47/89/850034789.db2.gz FYYWCIQXRXLPMO-JTQLQIEISA-N 0 2 352.416 0.454 20 0 FCADLN Cc1cc(S(N)(=O)=O)cc(C(=O)N[C@@H](C)c2nn(C)cc2O)c1C ZINC001158307667 850036706 /nfs/dbraw/zinc/03/67/06/850036706.db2.gz QXIMTNZIFYCTMK-JTQLQIEISA-N 0 2 352.416 0.881 20 0 FCADLN Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)Nc1ccc(F)c(F)c1O ZINC001161067389 850226770 /nfs/dbraw/zinc/22/67/70/850226770.db2.gz LOHASVVOGPWGMU-UHFFFAOYSA-N 0 2 359.310 0.478 20 0 FCADLN NC(=O)c1cnc(Cl)nc1N1CCC(NC(=O)C(F)(F)F)CC1 ZINC001166896916 850510785 /nfs/dbraw/zinc/51/07/85/850510785.db2.gz NMDKHHCSRGXCKU-UHFFFAOYSA-N 0 2 351.716 0.876 20 0 FCADLN COC(=O)Cc1c[nH]c2[nH+]ccc(N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)c12 ZINC001167861765 850559542 /nfs/dbraw/zinc/55/95/42/850559542.db2.gz NZFKUEGWEHJPHO-MADCSZMMSA-N 0 2 368.371 0.092 20 0 FCADLN Nc1ccccc1S(=O)(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC001174493255 850741971 /nfs/dbraw/zinc/74/19/71/850741971.db2.gz DRHUQENNKYLIDO-UHFFFAOYSA-N 0 2 351.432 0.598 20 0 FCADLN O=C(N[C@H]1SC(=O)NC1=O)c1ccc2nc(C3CCOCC3)nn2c1 ZINC001174748300 850746291 /nfs/dbraw/zinc/74/62/91/850746291.db2.gz IRYVZAIAYBFJHZ-AWEZNQCLSA-N 0 2 361.383 0.662 20 0 FCADLN O=C(NCc1n[nH]c(=O)[nH]1)c1nc2c(Br)cc(F)cn2n1 ZINC001175024464 850751067 /nfs/dbraw/zinc/75/10/67/850751067.db2.gz OJEGGWGJKHCFRL-UHFFFAOYSA-N 0 2 356.115 0.385 20 0 FCADLN CCN1CC[NH+](Cc2ccc(NC(=O)Cn3nn[n-]c3=S)cc2)CC1 ZINC001177738706 850865044 /nfs/dbraw/zinc/86/50/44/850865044.db2.gz HPYPDUWGXFFELK-UHFFFAOYSA-N 0 2 361.475 0.738 20 0 FCADLN CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)NCc2n[nH]c(=O)[nH]2)C1 ZINC001178854244 850935933 /nfs/dbraw/zinc/93/59/33/850935933.db2.gz KHENSHRFPRHVRC-HNNXBMFYSA-N 0 2 355.395 0.279 20 0 FCADLN O=C(NCCCC[P@](=O)([O-])O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC001178995966 850944068 /nfs/dbraw/zinc/94/40/68/850944068.db2.gz AYTBPHVIJAURBP-HNNXBMFYSA-N 0 2 356.359 0.962 20 0 FCADLN O=C(NCCCC[P@@](=O)([O-])O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC001178995966 850944073 /nfs/dbraw/zinc/94/40/73/850944073.db2.gz AYTBPHVIJAURBP-HNNXBMFYSA-N 0 2 356.359 0.962 20 0 FCADLN O=C(NCCCCP(=O)([O-])O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001178995966 850944080 /nfs/dbraw/zinc/94/40/80/850944080.db2.gz AYTBPHVIJAURBP-HNNXBMFYSA-N 0 2 356.359 0.962 20 0 FCADLN O=C(NCCCCP(=O)([O-])O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001178995966 850944092 /nfs/dbraw/zinc/94/40/92/850944092.db2.gz AYTBPHVIJAURBP-HNNXBMFYSA-N 0 2 356.359 0.962 20 0 FCADLN COC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)Cc2cc[nH+]c(N)c2)cc1 ZINC001181263191 851098350 /nfs/dbraw/zinc/09/83/50/851098350.db2.gz FNXZESQRMHNWEF-UHFFFAOYSA-N 0 2 364.383 0.890 20 0 FCADLN Cn1nncc1NC(=O)COc1ccc(C[C@@H]2SC(=O)NC2=O)cc1 ZINC001182545326 851178961 /nfs/dbraw/zinc/17/89/61/851178961.db2.gz IGIBYSUIGHLYTE-NSHDSACASA-N 0 2 361.383 0.727 20 0 FCADLN O=C(COc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)N[C@H]1COC(=O)C1 ZINC001182550660 851179941 /nfs/dbraw/zinc/17/99/41/851179941.db2.gz SPPXAQCPFMEMSE-PWSUYJOCSA-N 0 2 364.379 0.391 20 0 FCADLN CNS(=O)(=O)CCc1ccc(NC(=O)C(CO)C(F)(F)F)cc1 ZINC001183286023 851240127 /nfs/dbraw/zinc/24/01/27/851240127.db2.gz WNASYGLQBGDBDR-NSHDSACASA-N 0 2 354.350 0.888 20 0 FCADLN CNS(=O)(=O)CCc1ccc(NC(=O)[C@H](CO)C(F)(F)F)cc1 ZINC001183286023 851240138 /nfs/dbraw/zinc/24/01/38/851240138.db2.gz WNASYGLQBGDBDR-NSHDSACASA-N 0 2 354.350 0.888 20 0 FCADLN O=C(Nc1ccc(S(=O)(=O)CCCO)cc1)C(CO)C(F)(F)F ZINC001183284881 851240351 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20 0 FCADLN C[C@H]1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000828296148 602321218 /nfs/dbraw/zinc/32/12/18/602321218.db2.gz VGZJHSFWECZONJ-AAEUAGOBSA-N 0 2 353.404 0.436 20 0 FCADLN CC(C)[C@H](NC(=O)[O-])C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000736361352 602365900 /nfs/dbraw/zinc/36/59/00/602365900.db2.gz CMFSMECHEKJGEB-LBPRGKRZSA-N 0 2 361.406 0.304 20 0 FCADLN CCC(CC)[C@@H](CCNc1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C)OC ZINC000825097383 607564491 /nfs/dbraw/zinc/56/44/91/607564491.db2.gz WGPZNGMRVAQIMS-LLVKDONJSA-N 0 2 365.438 0.517 20 0 FCADLN C[C@H]1CN(C[C@H]2C[N@H+](C)CCO2)CCN1C(=O)CCCN(C)C(=O)[O-] ZINC000736812704 602421775 /nfs/dbraw/zinc/42/17/75/602421775.db2.gz WKTZNWDLXHPXLD-LSDHHAIUSA-N 0 2 356.467 0.240 20 0 FCADLN C[C@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)CCCN(C)C(=O)[O-] ZINC000736812704 602421778 /nfs/dbraw/zinc/42/17/78/602421778.db2.gz WKTZNWDLXHPXLD-LSDHHAIUSA-N 0 2 356.467 0.240 20 0 FCADLN O=S(=O)(NC[C@@H](O)C(F)(F)F)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826488994 607624877 /nfs/dbraw/zinc/62/48/77/607624877.db2.gz FBCKLZHVRKHRMN-SSDOTTSWSA-N 0 2 373.263 0.346 20 0 FCADLN C[C@H](CC(=O)[O-])[NH+]1CCN(S(=O)(=O)c2cnc(Cl)n2C)CC1 ZINC000827385631 604357269 /nfs/dbraw/zinc/35/72/69/604357269.db2.gz MCCQWWZTVCSMHE-SECBINFHSA-N 0 2 350.828 0.243 20 0 FCADLN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[NH+]1CCC(C(=O)NCCO)CC1 ZINC000833700661 604473551 /nfs/dbraw/zinc/47/35/51/604473551.db2.gz DQYJAXPUJSORHN-OAHLLOKOSA-N 0 2 364.398 0.419 20 0 FCADLN COc1cc(OC)cc([C@@H](C(=O)[O-])N2CC[NH+](CC[S@](C)=O)CC2)c1 ZINC000832049213 604480181 /nfs/dbraw/zinc/48/01/81/604480181.db2.gz GGUJRHXPXJDIAF-LMKMVOKYSA-N 0 2 370.471 0.826 20 0 FCADLN COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])cs2)C[C@@H]1C ZINC000831745999 604539101 /nfs/dbraw/zinc/53/91/01/604539101.db2.gz UXRLDCYDJNRUAJ-JTQLQIEISA-N 0 2 355.416 0.564 20 0 FCADLN COCC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])cs2)C[C@@H]1C ZINC000831745999 604539103 /nfs/dbraw/zinc/53/91/03/604539103.db2.gz UXRLDCYDJNRUAJ-JTQLQIEISA-N 0 2 355.416 0.564 20 0 FCADLN O=C([O-])C[C@H]1CCCN1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000833212928 604636779 /nfs/dbraw/zinc/63/67/79/604636779.db2.gz BXCAFJKKTIEMRP-CQSZACIVSA-N 0 2 351.407 0.686 20 0 FCADLN O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000833194498 604701364 /nfs/dbraw/zinc/70/13/64/604701364.db2.gz IJTLEURYSWFWPG-QGZVFWFLSA-N 0 2 374.437 0.906 20 0 FCADLN O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CCOC2(CCOCC2)C1 ZINC000833194498 604701365 /nfs/dbraw/zinc/70/13/65/604701365.db2.gz IJTLEURYSWFWPG-QGZVFWFLSA-N 0 2 374.437 0.906 20 0 FCADLN C[C@@H](C(=O)NC1CN(C(=O)[O-])C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000738627357 604761357 /nfs/dbraw/zinc/76/13/57/604761357.db2.gz YGQZWBGDCPFEJP-LBPRGKRZSA-N 0 2 350.394 0.815 20 0 FCADLN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)C[NH2+]C1(CC(=O)[O-])CCOCC1 ZINC000827212653 604795580 /nfs/dbraw/zinc/79/55/80/604795580.db2.gz GBCWIEGKGFPHKW-LBPRGKRZSA-N 0 2 350.419 0.828 20 0 FCADLN CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000830777255 604872372 /nfs/dbraw/zinc/87/23/72/604872372.db2.gz ZFASPWAYAQUFMM-UHFFFAOYSA-N 0 2 360.370 0.834 20 0 FCADLN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000223003533 604895157 /nfs/dbraw/zinc/89/51/57/604895157.db2.gz ATZQPTRPGLULQU-NWDGAFQWSA-N 0 2 352.391 0.921 20 0 FCADLN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000223003533 604895158 /nfs/dbraw/zinc/89/51/58/604895158.db2.gz ATZQPTRPGLULQU-NWDGAFQWSA-N 0 2 352.391 0.921 20 0 FCADLN COc1ccccc1N1C[C@@H](C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])CC1=O ZINC000833736497 604897504 /nfs/dbraw/zinc/89/75/04/604897504.db2.gz MFGLEGLIJOLISD-AAEUAGOBSA-N 0 2 372.381 0.583 20 0 FCADLN COc1ccccc1N1C[C@@H](C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])CC1=O ZINC000833736497 604897507 /nfs/dbraw/zinc/89/75/07/604897507.db2.gz MFGLEGLIJOLISD-AAEUAGOBSA-N 0 2 372.381 0.583 20 0 FCADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000833767374 604898323 /nfs/dbraw/zinc/89/83/23/604898323.db2.gz BDLYGBKXIPOTFL-KKUMJFAQSA-N 0 2 362.430 0.950 20 0 FCADLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000833767374 604898327 /nfs/dbraw/zinc/89/83/27/604898327.db2.gz BDLYGBKXIPOTFL-KKUMJFAQSA-N 0 2 362.430 0.950 20 0 FCADLN CCCn1c(C)nn(CN(CC[NH+]2CCOCC2)CC(=O)[O-])c1=S ZINC000833652812 604903691 /nfs/dbraw/zinc/90/36/91/604903691.db2.gz NFUCDFZBUFRZBZ-UHFFFAOYSA-N 0 2 357.480 0.809 20 0 FCADLN O=C([O-])[C@H](O)C1CC[NH+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)CC1 ZINC000833771309 604981779 /nfs/dbraw/zinc/98/17/79/604981779.db2.gz ZXLGCARVLSENHG-OAHLLOKOSA-N 0 2 372.443 0.722 20 0 FCADLN C[C@H](CS(=O)(=O)N1CC[N@H+](C[C@@H](O)c2ccccc2)[C@@H](C)C1)C(=O)[O-] ZINC000833521340 605034662 /nfs/dbraw/zinc/03/46/62/605034662.db2.gz ZIJGZRDTAASKQG-IJEWVQPXSA-N 0 2 370.471 0.777 20 0 FCADLN C[C@H](CS(=O)(=O)N1CC[N@@H+](C[C@@H](O)c2ccccc2)[C@@H](C)C1)C(=O)[O-] ZINC000833521340 605034664 /nfs/dbraw/zinc/03/46/64/605034664.db2.gz ZIJGZRDTAASKQG-IJEWVQPXSA-N 0 2 370.471 0.777 20 0 FCADLN C[C@H](CS(=O)(=O)N1CC[N@H+](C[C@H](O)c2ccccc2)[C@H](C)C1)C(=O)[O-] ZINC000833521338 605034706 /nfs/dbraw/zinc/03/47/06/605034706.db2.gz ZIJGZRDTAASKQG-FMKPAKJESA-N 0 2 370.471 0.777 20 0 FCADLN C[C@H](CS(=O)(=O)N1CC[N@@H+](C[C@H](O)c2ccccc2)[C@H](C)C1)C(=O)[O-] ZINC000833521338 605034708 /nfs/dbraw/zinc/03/47/08/605034708.db2.gz ZIJGZRDTAASKQG-FMKPAKJESA-N 0 2 370.471 0.777 20 0 FCADLN Cc1noc(C)c1[C@H](C)CNc1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C ZINC000826338937 607733984 /nfs/dbraw/zinc/73/39/84/607733984.db2.gz MKPCLZSPWCVXBW-SSDOTTSWSA-N 0 2 360.378 0.085 20 0 FCADLN CC(=O)N1C[C@H](C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])Oc2ccccc21 ZINC000833391982 605074915 /nfs/dbraw/zinc/07/49/15/605074915.db2.gz BFGKPUPJSHXTKE-SWLSCSKDSA-N 0 2 358.354 0.336 20 0 FCADLN CC(=O)N1C[C@H](C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])Oc2ccccc21 ZINC000833391982 605074920 /nfs/dbraw/zinc/07/49/20/605074920.db2.gz BFGKPUPJSHXTKE-SWLSCSKDSA-N 0 2 358.354 0.336 20 0 FCADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000833767997 605083912 /nfs/dbraw/zinc/08/39/12/605083912.db2.gz WNRJBGHWDMTTTQ-HIFRSBDPSA-N 0 2 371.397 0.469 20 0 FCADLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000833767997 605083917 /nfs/dbraw/zinc/08/39/17/605083917.db2.gz WNRJBGHWDMTTTQ-HIFRSBDPSA-N 0 2 371.397 0.469 20 0 FCADLN O=C([O-])CCOc1ccc(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000833774831 605216421 /nfs/dbraw/zinc/21/64/21/605216421.db2.gz INFFTRQAZOFXAT-UHFFFAOYSA-N 0 2 351.384 0.982 20 0 FCADLN C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CCN1C(=O)CC(C)(C)CC(=O)[O-] ZINC000833618778 605261918 /nfs/dbraw/zinc/26/19/18/605261918.db2.gz FYCFWLIZUKDYPA-CABCVRRESA-N 0 2 355.479 0.741 20 0 FCADLN 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C[N@@H+]1CCC[C@@H]1c1nnc(N2CCO[C@H](C(=O)[O-])C2)n1C[C@H]1CCCO1 ZINC001598597844 993532152 /nfs/dbraw/zinc/53/21/52/993532152.db2.gz JDRJNXPHMHUFOH-MCIONIFRSA-N 0 2 365.434 0.514 20 0 FCADLN C[N@H+]1CCC[C@@H]1c1nnc(N2CCO[C@H](C(=O)[O-])C2)n1C[C@H]1CCCO1 ZINC001598597844 993532155 /nfs/dbraw/zinc/53/21/55/993532155.db2.gz JDRJNXPHMHUFOH-MCIONIFRSA-N 0 2 365.434 0.514 20 0 FCADLN C[N@@H+]1CCN(C(=O)c2ncc(Br)cc2O)C[C@@H](C(=O)[O-])C1 ZINC001598610883 993771034 /nfs/dbraw/zinc/77/10/34/993771034.db2.gz GRJACSPGQYHRMN-QMMMGPOBSA-N 0 2 358.192 0.638 20 0 FCADLN C[N@H+]1CCN(C(=O)c2ncc(Br)cc2O)C[C@@H](C(=O)[O-])C1 ZINC001598610883 993771043 /nfs/dbraw/zinc/77/10/43/993771043.db2.gz GRJACSPGQYHRMN-QMMMGPOBSA-N 0 2 358.192 0.638 20 0 FCADLN C[N@@H+]1CCN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C[C@@H](C(=O)[O-])C1 ZINC001598612126 993796702 /nfs/dbraw/zinc/79/67/02/993796702.db2.gz WUJNVGGTJJWWPA-NSHDSACASA-N 0 2 374.846 0.832 20 0 FCADLN C[N@H+]1CCN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C[C@@H](C(=O)[O-])C1 ZINC001598612126 993796711 /nfs/dbraw/zinc/79/67/11/993796711.db2.gz WUJNVGGTJJWWPA-NSHDSACASA-N 0 2 374.846 0.832 20 0 FCADLN CN1CC[NH+](C[C@H](O)COc2cn(-c3ccccc3)nc2C(=O)[O-])CC1 ZINC001598613889 993840491 /nfs/dbraw/zinc/84/04/91/993840491.db2.gz GZXJZISBYMLJFR-HNNXBMFYSA-N 0 2 360.414 0.558 20 0 FCADLN C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001598630733 994169412 /nfs/dbraw/zinc/16/94/12/994169412.db2.gz IJVYYCWNJUXQAX-PEHHYFEISA-N 0 2 371.437 0.905 20 0 FCADLN C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001598630733 994169416 /nfs/dbraw/zinc/16/94/16/994169416.db2.gz IJVYYCWNJUXQAX-PEHHYFEISA-N 0 2 371.437 0.905 20 0 FCADLN CNC(=O)C[N@@H+]1CCCN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])CC1 ZINC001598641685 994323665 /nfs/dbraw/zinc/32/36/65/994323665.db2.gz BCVUIOGLXURPSY-UHFFFAOYSA-N 0 2 372.425 0.689 20 0 FCADLN CNC(=O)C[N@H+]1CCCN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])CC1 ZINC001598641685 994323676 /nfs/dbraw/zinc/32/36/76/994323676.db2.gz BCVUIOGLXURPSY-UHFFFAOYSA-N 0 2 372.425 0.689 20 0 FCADLN CNc1cc(CNC(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)cc[nH+]1 ZINC001598676160 994847412 /nfs/dbraw/zinc/84/74/12/994847412.db2.gz ODAJCINEKHIHGK-KRWDZBQOSA-N 0 2 363.418 0.194 20 0 FCADLN COC(=O)[C@@H](CCC(=O)[O-])[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC001598696687 995150166 /nfs/dbraw/zinc/15/01/66/995150166.db2.gz BQPXSEAMXFBXQP-DGCLKSJQSA-N 0 2 362.448 0.187 20 0 FCADLN COC(=O)[C@@H](CCC(=O)[O-])[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC001598696687 995150177 /nfs/dbraw/zinc/15/01/77/995150177.db2.gz BQPXSEAMXFBXQP-DGCLKSJQSA-N 0 2 362.448 0.187 20 0 FCADLN COC(=O)[C@@H](COC(C)C)[N@H+](C)CCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC001598703320 995252825 /nfs/dbraw/zinc/25/28/25/995252825.db2.gz DFZHJBLQXXIEAR-UGMNDJHYSA-N 0 2 374.459 0.776 20 0 FCADLN COC(=O)[C@@H](COC(C)C)[N@@H+](C)CCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC001598703320 995252831 /nfs/dbraw/zinc/25/28/31/995252831.db2.gz DFZHJBLQXXIEAR-UGMNDJHYSA-N 0 2 374.459 0.776 20 0 FCADLN COC(=O)[C@@H]1C[N@H+](Cn2c(=O)sc3c2CC[C@@H](C)C3)C[C@@H]1C(=O)[O-] ZINC001598825806 996381316 /nfs/dbraw/zinc/38/13/16/996381316.db2.gz LXSWDFWEPKVFON-OUAUKWLOSA-N 0 2 354.428 0.798 20 0 FCADLN COC(=O)[C@@H]1C[N@@H+](Cn2c(=O)sc3c2CC[C@@H](C)C3)C[C@@H]1C(=O)[O-] ZINC001598825806 996381322 /nfs/dbraw/zinc/38/13/22/996381322.db2.gz LXSWDFWEPKVFON-OUAUKWLOSA-N 0 2 354.428 0.798 20 0 FCADLN COC(=O)[C@@H]1CN(c2nnc([C@H]3CCCC[N@@H+]3C)n2C)C[C@H]1C(=O)[O-] ZINC001598829152 996417527 /nfs/dbraw/zinc/41/75/27/996417527.db2.gz SVILUZUOFYZLDL-IJLUTSLNSA-N 0 2 351.407 0.282 20 0 FCADLN COC(=O)[C@@H]1CN(c2nnc([C@H]3CCCC[N@H+]3C)n2C)C[C@H]1C(=O)[O-] ZINC001598829152 996417529 /nfs/dbraw/zinc/41/75/29/996417529.db2.gz SVILUZUOFYZLDL-IJLUTSLNSA-N 0 2 351.407 0.282 20 0 FCADLN COC(=O)/C=C\c1ccc(OCC[N@@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])cc1 ZINC001598833818 996463750 /nfs/dbraw/zinc/46/37/50/996463750.db2.gz FQBSYHWWMKLVGE-QZDDGCDVSA-N 0 2 362.382 0.527 20 0 FCADLN COC(=O)/C=C\c1ccc(OCC[N@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])cc1 ZINC001598833818 996463752 /nfs/dbraw/zinc/46/37/52/996463752.db2.gz FQBSYHWWMKLVGE-QZDDGCDVSA-N 0 2 362.382 0.527 20 0 FCADLN CO[C@@]1(C(=O)[O-])CCN(C(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC001599075859 996862897 /nfs/dbraw/zinc/86/28/97/996862897.db2.gz SRYKDHYRWXOJJR-KRWDZBQOSA-N 0 2 351.403 0.136 20 0 FCADLN CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001593959359 997071095 /nfs/dbraw/zinc/07/10/95/997071095.db2.gz PSVMACCEAZORIA-LBPRGKRZSA-N 0 2 366.422 0.044 20 0 FCADLN CC1(C)COCC[N@H+]1CCNC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001593959359 997071112 /nfs/dbraw/zinc/07/11/12/997071112.db2.gz PSVMACCEAZORIA-LBPRGKRZSA-N 0 2 366.422 0.044 20 0 FCADLN CC1(C)COCC[N@@H+]1CCNC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001593961020 997085678 /nfs/dbraw/zinc/08/56/78/997085678.db2.gz IYDRMXLOWWKMTA-SUMWQHHRSA-N 0 2 355.435 0.230 20 0 FCADLN CC1(C)COCC[N@H+]1CCNC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001593961020 997085687 /nfs/dbraw/zinc/08/56/87/997085687.db2.gz IYDRMXLOWWKMTA-SUMWQHHRSA-N 0 2 355.435 0.230 20 0 FCADLN COC(=O)c1cc(C(=O)[O-])n(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)n1 ZINC001598921476 997572745 /nfs/dbraw/zinc/57/27/45/997572745.db2.gz DMNBSVOAXNOYRW-NSHDSACASA-N 0 2 350.375 0.412 20 0 FCADLN COC(=O)c1cc(C(=O)[O-])n(C[N@H+]2CCC[C@H](N3CCCC3=O)C2)n1 ZINC001598921476 997572752 /nfs/dbraw/zinc/57/27/52/997572752.db2.gz DMNBSVOAXNOYRW-NSHDSACASA-N 0 2 350.375 0.412 20 0 FCADLN COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NCCc2c[nH+]cn2C)c1 ZINC001598921962 997583252 /nfs/dbraw/zinc/58/32/52/997583252.db2.gz DYKPGJQXMQCUPL-UHFFFAOYSA-N 0 2 367.383 0.426 20 0 FCADLN COC(=O)c1cc(C(=O)[O-])n(C[N@@H+]2CCOC3(CCOCC3)CC2)n1 ZINC001598922707 997598239 /nfs/dbraw/zinc/59/82/39/997598239.db2.gz UJXBUVYQWFQTRQ-UHFFFAOYSA-N 0 2 353.375 0.597 20 0 FCADLN COC(=O)c1cc(C(=O)[O-])n(C[N@H+]2CCOC3(CCOCC3)CC2)n1 ZINC001598922707 997598249 /nfs/dbraw/zinc/59/82/49/997598249.db2.gz UJXBUVYQWFQTRQ-UHFFFAOYSA-N 0 2 353.375 0.597 20 0 FCADLN CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](Cc3ccccc3O[C@H](C)C(=O)[O-])C[C@H]21 ZINC001599324647 997642055 /nfs/dbraw/zinc/64/20/55/997642055.db2.gz QPTRVZOJVBCEKW-JMGFVUJMSA-N 0 2 369.439 0.782 20 0 FCADLN CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](Cc3ccccc3O[C@H](C)C(=O)[O-])C[C@H]21 ZINC001599324647 997642063 /nfs/dbraw/zinc/64/20/63/997642063.db2.gz QPTRVZOJVBCEKW-JMGFVUJMSA-N 0 2 369.439 0.782 20 0 FCADLN COc1cc(NC(=O)C(=O)NCCn2cc[nH+]c2)c(C(=O)[O-])cc1OC ZINC001599428805 997722291 /nfs/dbraw/zinc/72/22/91/997722291.db2.gz CQHQTQHUEFIZDO-UHFFFAOYSA-N 0 2 362.342 0.353 20 0 FCADLN COC(=O)c1cc(C[N@@H+]2CCC[C@@H]2C(=O)NCC(=O)[O-])n2c1CCCC2 ZINC001598932050 997778859 /nfs/dbraw/zinc/77/88/59/997778859.db2.gz DRYDGKGHXCZEFM-OAHLLOKOSA-N 0 2 363.414 0.776 20 0 FCADLN COC(=O)c1cc(C[N@H+]2CCC[C@@H]2C(=O)NCC(=O)[O-])n2c1CCCC2 ZINC001598932050 997778870 /nfs/dbraw/zinc/77/88/70/997778870.db2.gz DRYDGKGHXCZEFM-OAHLLOKOSA-N 0 2 363.414 0.776 20 0 FCADLN COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2ccc(C)c(C(=O)[O-])[nH+]2)C1 ZINC001599231935 997875016 /nfs/dbraw/zinc/87/50/16/997875016.db2.gz IGSCRZGJOOHOGO-CYBMUJFWSA-N 0 2 371.459 0.965 20 0 FCADLN COCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)CC1 ZINC001599240021 998021419 /nfs/dbraw/zinc/02/14/19/998021419.db2.gz CMHMYBFWHLKTCK-CQSZACIVSA-N 0 2 369.462 0.126 20 0 FCADLN COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)cc1 ZINC001599561681 998210561 /nfs/dbraw/zinc/21/05/61/998210561.db2.gz YKCVMTSCGQALRG-DLBZAZTESA-N 0 2 362.426 0.954 20 0 FCADLN COc1ccc(C[N@H+]2CC[C@H]2C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)cc1 ZINC001599561681 998210569 /nfs/dbraw/zinc/21/05/69/998210569.db2.gz YKCVMTSCGQALRG-DLBZAZTESA-N 0 2 362.426 0.954 20 0 FCADLN COC[C@](C)([NH2+]CC(=O)NCC(=O)Nc1cccc(Cl)c1C)C(=O)[O-] ZINC001599154833 998354514 /nfs/dbraw/zinc/35/45/14/998354514.db2.gz XWNXRHMPORDQII-INIZCTEOSA-N 0 2 371.821 0.782 20 0 FCADLN COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1 ZINC001598964641 998393074 /nfs/dbraw/zinc/39/30/74/998393074.db2.gz XKURAYMSAWKPIP-PHIMTYICSA-N 0 2 370.427 0.885 20 0 FCADLN COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1 ZINC001598964641 998393080 /nfs/dbraw/zinc/39/30/80/998393080.db2.gz XKURAYMSAWKPIP-PHIMTYICSA-N 0 2 370.427 0.885 20 0 FCADLN COCCn1c(C[NH+]2CCCCC2)nnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001599269726 998528970 /nfs/dbraw/zinc/52/89/70/998528970.db2.gz ZXFLTPVGLAXFHP-ZDUSSCGKSA-N 0 2 353.423 0.200 20 0 FCADLN COC(=O)c1oc(S(=O)(=O)N2CC[NH+]([C@@H](C)CC(=O)[O-])CC2)cc1C ZINC001599019761 998969262 /nfs/dbraw/zinc/96/92/62/998969262.db2.gz PQTOOCCSZVCHFF-NSHDSACASA-N 0 2 374.415 0.544 20 0 FCADLN COC(=O)c1sc(NC(=O)C[N@@H+]2C[C@@H](O)C[C@H]2C)c(C(=O)[O-])c1C ZINC001599021633 998984091 /nfs/dbraw/zinc/98/40/91/998984091.db2.gz VJQQYOPEGDVOKW-APPZFPTMSA-N 0 2 356.400 0.935 20 0 FCADLN 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FCADLN CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCc1n[nH]c(=O)[nH]1 ZINC000774909757 1206483955 /nfs/dbraw/zinc/48/39/55/1206483955.db2.gz VHGZVTIFLNDXFJ-QGZVFWFLSA-N 0 2 371.353 0.553 20 0 FCADLN CCn1c(=O)[nH]c(=O)c2c(C(=O)OCc3n[nH]c(=O)[nH]3)cc(C(C)C)nc21 ZINC000774918703 1206485065 /nfs/dbraw/zinc/48/50/65/1206485065.db2.gz GTZYNYNDYOXOEG-UHFFFAOYSA-N 0 2 374.357 0.821 20 0 FCADLN COc1cc(C(=O)OCc2n[nH]c(=O)[nH]2)ccc1OCC(=O)NC(C)C ZINC000774933821 1206486185 /nfs/dbraw/zinc/48/61/85/1206486185.db2.gz RXSAMFKIKRMFMF-UHFFFAOYSA-N 0 2 364.358 0.779 20 0 FCADLN O=C(CCC(=O)N1CCN(c2ccccc2)CC1)OCc1n[nH]c(=O)[nH]1 ZINC000774972266 1206492099 /nfs/dbraw/zinc/49/20/99/1206492099.db2.gz KHCJVITWPDQNGP-UHFFFAOYSA-N 0 2 359.386 0.683 20 0 FCADLN Cc1n[nH]c(C(=O)N2CC[C@H]3C[N@H+](CCOC[C@@H]4CCCO4)C[C@H]32)c1[O-] ZINC001187531042 1206528455 /nfs/dbraw/zinc/52/84/55/1206528455.db2.gz RNOGSDVJWQZKRW-SOUVJXGZSA-N 0 2 364.446 0.766 20 0 FCADLN 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CCC(CC)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cc(C(C)C)n[nH]2)C1 ZINC001196326396 1208075482 /nfs/dbraw/zinc/07/54/82/1208075482.db2.gz LKXLKFKJONGUKY-HZPDHXFCSA-N 0 2 365.478 0.613 20 0 FCADLN O=C(Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)N1CCN2C(=O)OC[C@H]2C1 ZINC000775707808 1208075681 /nfs/dbraw/zinc/07/56/81/1208075681.db2.gz ROGKAOJEACVELS-OLZOCXBDSA-N 0 2 373.369 0.105 20 0 FCADLN Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@H]1O ZINC001197776388 1208196153 /nfs/dbraw/zinc/19/61/53/1208196153.db2.gz VDIWMJRDCAAISQ-QZTJIDSGSA-N 0 2 364.490 0.721 20 0 FCADLN CN1CCN(c2cnccc2C(=O)N2CC([N@H+](C)[C@H]3CCOC3)C2)CC1 ZINC001198151198 1208224751 /nfs/dbraw/zinc/22/47/51/1208224751.db2.gz OSCZWNSKXRBISL-HNNXBMFYSA-N 0 2 359.474 0.379 20 0 FCADLN CC[C@@]1(O)CCCN(C(=O)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000867316043 1208343256 /nfs/dbraw/zinc/34/32/56/1208343256.db2.gz SNVSRQAYLGKPQW-GOSISDBHSA-N 0 2 369.462 0.829 20 0 FCADLN C[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001199385862 1208345321 /nfs/dbraw/zinc/34/53/21/1208345321.db2.gz ZTWSAQWTKAEOMK-ZLKJLUDKSA-N 0 2 363.393 0.190 20 0 FCADLN Cc1nc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNC(=O)NC(C)C)n[nH]1 ZINC001110534876 1208353722 /nfs/dbraw/zinc/35/37/22/1208353722.db2.gz BRFGDIJMNILKCZ-MCIONIFRSA-N 0 2 363.466 0.085 20 0 FCADLN COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001110562293 1208451866 /nfs/dbraw/zinc/45/18/66/1208451866.db2.gz LRLMXSORVGGBLC-TWMKSMIVSA-N 0 2 358.442 0.985 20 0 FCADLN Cc1ccn(C[C@@H](C)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2n[nH]c(=O)[nH]2)n1 ZINC001110599790 1208720863 /nfs/dbraw/zinc/72/08/63/1208720863.db2.gz JDERAEXLTXGQPI-ZRJCITRHSA-N 0 2 359.434 0.573 20 0 FCADLN Cc1cnn(CCC(=O)N[C@@H]2CN(C(=O)C(F)C(F)(F)F)C[C@H]2O)c1 ZINC001489359739 1208819777 /nfs/dbraw/zinc/81/97/77/1208819777.db2.gz ONLQWVMGXPXXKR-CKYFFXLPSA-N 0 2 366.315 0.170 20 0 FCADLN Cc1cnn(CCC(=O)N[C@@H]2CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]2O)c1 ZINC001489359739 1208819781 /nfs/dbraw/zinc/81/97/81/1208819781.db2.gz ONLQWVMGXPXXKR-CKYFFXLPSA-N 0 2 366.315 0.170 20 0 FCADLN Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC1CCN(C(=O)NC2CCCC2)CC1 ZINC001220909013 1225134827 /nfs/dbraw/zinc/13/48/27/1225134827.db2.gz HEFNUGVCMVFRLG-INIZCTEOSA-N 0 2 362.478 0.523 20 0 FCADLN CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N(C)CC2N=NC(=O)O2)C1 ZINC000857294449 1209749318 /nfs/dbraw/zinc/74/93/18/1209749318.db2.gz GOBNTVVGQBYNTE-CYBMUJFWSA-N 0 2 373.369 0.932 20 0 FCADLN COC(=O)C[C@](C)(NC(=O)Cn1[nH]cc2c(=O)ncnc1-2)c1ccncc1 ZINC000776949667 1209754547 /nfs/dbraw/zinc/75/45/47/1209754547.db2.gz ZTPUBVKXXRBELO-KRWDZBQOSA-N 0 2 370.369 0.061 20 0 FCADLN CCc1ccc(CCC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[nH]3)C[C@@H]2O)cc1 ZINC001220959714 1225160402 /nfs/dbraw/zinc/16/04/02/1225160402.db2.gz SWJLRVWWNUDVTQ-CABCVRRESA-N 0 2 359.430 0.367 20 0 FCADLN Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@H+]3CCOCCO)CC2 ZINC001110740930 1209778227 /nfs/dbraw/zinc/77/82/27/1209778227.db2.gz JZRYPQNJMUCHED-DTDBQYNISA-N 0 2 362.474 0.553 20 0 FCADLN Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)c1nnc2ccccc2c1O ZINC000118343942 1209870998 /nfs/dbraw/zinc/87/09/98/1209870998.db2.gz MCJWFKBZLCYUIE-UHFFFAOYSA-N 0 2 364.365 0.806 20 0 FCADLN C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)CC[C@H]1C(=O)[O-] ZINC000863746234 1209948975 /nfs/dbraw/zinc/94/89/75/1209948975.db2.gz GVMSYWSTIVWKIQ-HZSPNIEDSA-N 0 2 362.430 0.695 20 0 FCADLN CCC[C@H]1CN(C(=O)C(=O)N2CCC(N3CC[NH+](C)CC3)CC2)CCO1 ZINC000867493991 1210008795 /nfs/dbraw/zinc/00/87/95/1210008795.db2.gz OACMAXAEAOLMDP-KRWDZBQOSA-N 0 2 366.506 0.252 20 0 FCADLN Cc1c(NS(=O)(=O)CCCCS(=O)(=O)N(C)C(C)C)nnn1C ZINC000349580723 1210989649 /nfs/dbraw/zinc/98/96/49/1210989649.db2.gz FEZYWBAACWWBMV-UHFFFAOYSA-N 0 2 367.497 0.315 20 0 FCADLN CC(=O)[C@@H](C)N1C(=O)COCC12CN(C(=O)c1cc(F)c(O)c(F)c1)C2 ZINC001274485235 1211066968 /nfs/dbraw/zinc/06/69/68/1211066968.db2.gz AMKREVBFVIPMNX-SECBINFHSA-N 0 2 368.336 0.701 20 0 FCADLN O=C(CNC(=O)C(F)(F)F)N1CCc2cc(C(=O)N3CC=CC3)[nH]c2C1 ZINC001274889739 1211138050 /nfs/dbraw/zinc/13/80/50/1211138050.db2.gz XDGJAIMLWKLTEA-UHFFFAOYSA-N 0 2 370.331 0.590 20 0 FCADLN CC(=O)[C@H](C)N1C(=O)COCC12CN(C(=O)c1cc(F)c(O)cc1F)C2 ZINC001274889933 1211138287 /nfs/dbraw/zinc/13/82/87/1211138287.db2.gz LSUUAXDMDTUYGL-VIFPVBQESA-N 0 2 368.336 0.701 20 0 FCADLN Cc1noc(NC(=O)[C@H]2CC23CN(C(=O)CNC(=O)C(F)(F)F)C3)c1C ZINC001274882170 1211138614 /nfs/dbraw/zinc/13/86/14/1211138614.db2.gz SFYHANNVZOSUSI-SECBINFHSA-N 0 2 374.319 0.757 20 0 FCADLN CC(=O)[C@@H](C)N1CC2(CN(C(=O)c3ccc(F)c(F)c3O)C2)OCC1=O ZINC001274884192 1211139028 /nfs/dbraw/zinc/13/90/28/1211139028.db2.gz ZWVPUIFFVPXSBH-SECBINFHSA-N 0 2 368.336 0.701 20 0 FCADLN COc1ncc(C[N@@H+]2CC[C@]3(CCN(CCn4cc[nH+]c4)C3=O)C2)cn1 ZINC001275365889 1211223714 /nfs/dbraw/zinc/22/37/14/1211223714.db2.gz QUQHOAAAALAJNM-SFHVURJKSA-N 0 2 356.430 0.806 20 0 FCADLN CC[C@@H](C(N)=O)N1C(=O)COCC12C[NH+](Cc1ccc(C(=O)[O-])cc1)C2 ZINC001275655546 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AMYQJTFFSOGIDH-PBHICJAKSA-N 0 2 372.356 0.936 20 0 FCADLN CC[N@@H+](CC(=O)N(C)CC1CC1)[C@H](C)CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001153998491 1222997790 /nfs/dbraw/zinc/99/77/90/1222997790.db2.gz SWZLLBSSLMKYLF-BFYDXBDKSA-N 0 2 368.522 0.401 20 0 FCADLN O=C(Cn1[nH]cc2c(=O)ncnc1-2)NCc1ccc2c(=O)cc[nH]c2c1 ZINC001156128561 1223049898 /nfs/dbraw/zinc/04/98/98/1223049898.db2.gz PGZDDBLTWWMNDU-UHFFFAOYSA-N 0 2 350.338 0.229 20 0 FCADLN C[C@@H]1OCC[C@@]12CN(C(=O)c1ccc(-n3[nH]c(=O)[nH]c3=O)cc1)C[C@@H](C)O2 ZINC001156742512 1223061476 /nfs/dbraw/zinc/06/14/76/1223061476.db2.gz IXAHVSFNQNTROU-FTLABTOESA-N 0 2 374.397 0.675 20 0 FCADLN COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC001157037732 1223066491 /nfs/dbraw/zinc/06/64/91/1223066491.db2.gz XCHPMWYHJSMJSY-NVXWUHKLSA-N 0 2 371.441 0.917 20 0 FCADLN C[C@H](NC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1nn(C)cc1O ZINC001158304197 1223093912 /nfs/dbraw/zinc/09/39/12/1223093912.db2.gz ALYNQKWPARAPFH-HUTHGQBESA-N 0 2 357.370 0.671 20 0 FCADLN C[C@H](NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1nn(C)cc1O ZINC001158297320 1223094185 /nfs/dbraw/zinc/09/41/85/1223094185.db2.gz XGOHHYIPYJJHJW-JTQLQIEISA-N 0 2 357.370 0.809 20 0 FCADLN C[C@H](NC(=O)c1cn(CCO)nc1C1CCOCC1)c1nn(C)cc1O ZINC001158308959 1223094575 /nfs/dbraw/zinc/09/45/75/1223094575.db2.gz ZTFMBORKTYTEMM-NSHDSACASA-N 0 2 363.418 0.700 20 0 FCADLN COc1ccc(N2CC(=O)C(C(=O)N3C[C@H](CCO)[C@H](CO)C3)=N2)cc1 ZINC001159697337 1223134753 /nfs/dbraw/zinc/13/47/53/1223134753.db2.gz NOINUEQGWKMNJQ-STQMWFEESA-N 0 2 361.398 0.649 20 0 FCADLN C[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)CCc1nc[nH]n1 ZINC001206849814 1223373247 /nfs/dbraw/zinc/37/32/47/1223373247.db2.gz MIHWLKUCGGJSCO-UKRRQHHQSA-N 0 2 357.462 0.835 20 0 FCADLN C[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C)N1CCCCC1=O ZINC001206968201 1223397645 /nfs/dbraw/zinc/39/76/45/1223397645.db2.gz UKBKMDPHJRIJHC-JHJVBQTASA-N 0 2 364.450 0.238 20 0 FCADLN C[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C)N1CCCCC1=O ZINC001206968201 1223397647 /nfs/dbraw/zinc/39/76/47/1223397647.db2.gz UKBKMDPHJRIJHC-JHJVBQTASA-N 0 2 364.450 0.238 20 0 FCADLN Cc1conc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001207855068 1223485008 /nfs/dbraw/zinc/48/50/08/1223485008.db2.gz VXLRDUQWILNPRL-BXKDBHETSA-N 0 2 362.390 0.149 20 0 FCADLN Cc1conc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001207855068 1223485010 /nfs/dbraw/zinc/48/50/10/1223485010.db2.gz VXLRDUQWILNPRL-BXKDBHETSA-N 0 2 362.390 0.149 20 0 FCADLN CC(=O)N[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C)C1CCCC1 ZINC001207922121 1223496588 /nfs/dbraw/zinc/49/65/88/1223496588.db2.gz ZVARRAKPAVWPDS-YVLXSGLVSA-N 0 2 364.450 0.142 20 0 FCADLN CC(=O)N[C@H](C(=O)N[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C)C1CCCC1 ZINC001207922121 1223496590 /nfs/dbraw/zinc/49/65/90/1223496590.db2.gz ZVARRAKPAVWPDS-YVLXSGLVSA-N 0 2 364.450 0.142 20 0 FCADLN CCOCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001208362258 1223534822 /nfs/dbraw/zinc/53/48/22/1223534822.db2.gz MOSFRMOHFIJTEZ-RBSFLKMASA-N 0 2 363.462 0.247 20 0 FCADLN C[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CCC(=O)NC1CCCC1 ZINC001209732064 1223645032 /nfs/dbraw/zinc/64/50/32/1223645032.db2.gz KMILTUDSKHEOIZ-DGCLKSJQSA-N 0 2 364.450 0.286 20 0 FCADLN C[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CCC(=O)NC1CCCC1 ZINC001209732064 1223645036 /nfs/dbraw/zinc/64/50/36/1223645036.db2.gz KMILTUDSKHEOIZ-DGCLKSJQSA-N 0 2 364.450 0.286 20 0 FCADLN CO[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C)c1ccc(F)cc1 ZINC001211413233 1223740082 /nfs/dbraw/zinc/74/00/82/1223740082.db2.gz CDHUYGFJFKEONX-WDBKCZKBSA-N 0 2 363.393 0.974 20 0 FCADLN CO[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C)c1ccc(F)cc1 ZINC001211413233 1223740085 /nfs/dbraw/zinc/74/00/85/1223740085.db2.gz CDHUYGFJFKEONX-WDBKCZKBSA-N 0 2 363.393 0.974 20 0 FCADLN CCO[C@@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1OC)C1CCCC1 ZINC001213228800 1223773418 /nfs/dbraw/zinc/77/34/18/1223773418.db2.gz XMTRMBZPEDRJFD-UMVBOHGHSA-N 0 2 367.450 0.421 20 0 FCADLN CC[C@@H](OC1CCCC1)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1OC ZINC001213504347 1223807311 /nfs/dbraw/zinc/80/73/11/1223807311.db2.gz KLGBMDIADQDEFP-MGPQQGTHSA-N 0 2 367.450 0.564 20 0 FCADLN CO[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213801959 1223852055 /nfs/dbraw/zinc/85/20/55/1223852055.db2.gz IBSKKWIPNONXAX-KBAYOESNSA-N 0 2 364.490 0.985 20 0 FCADLN Cc1cc(NC(=O)[C@@H](C)[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)on1 ZINC001217009523 1224084330 /nfs/dbraw/zinc/08/43/30/1224084330.db2.gz AGGTUBUCOXLOMM-MRVWCRGKSA-N 0 2 360.418 0.643 20 0 FCADLN CC(C)OCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001217010176 1224084362 /nfs/dbraw/zinc/08/43/62/1224084362.db2.gz IPGGMFWKLBHBLN-HZPDHXFCSA-N 0 2 365.478 0.251 20 0 FCADLN Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C)c1[O-] ZINC000987603151 1249109525 /nfs/dbraw/zinc/10/95/25/1249109525.db2.gz QRIICWZQZACWOJ-UHTWSYAYSA-N 0 2 360.418 0.991 20 0 FCADLN CNC(=O)CNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O ZINC000917366936 1245555441 /nfs/dbraw/zinc/55/54/41/1245555441.db2.gz YTZNZTLNGPWNAO-UHFFFAOYSA-N 0 2 372.406 0.802 20 0 FCADLN CO[C@@H]1CN(C(=O)c2ccncc2F)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC000944221997 1247502459 /nfs/dbraw/zinc/50/24/59/1247502459.db2.gz CDNQJZAKWBQWJR-HUUCEWRRSA-N 0 2 361.377 0.451 20 0 FCADLN Cc1[nH]nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@H+]2CC[C@@H](C)C2)c1[O-] ZINC000996096685 1251160684 /nfs/dbraw/zinc/16/06/84/1251160684.db2.gz YQWZCKOOLRMPOH-ZZVYKPCYSA-N 0 2 361.446 0.627 20 0 FCADLN Cc1[nH]nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@@H+]2CC[C@@H](C)C2)c1[O-] ZINC000996096685 1251160691 /nfs/dbraw/zinc/16/06/91/1251160691.db2.gz YQWZCKOOLRMPOH-ZZVYKPCYSA-N 0 2 361.446 0.627 20 0 FCADLN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1nc[nH]c1C(F)(F)F)c1cn[nH]n1 ZINC000998169229 1251820064 /nfs/dbraw/zinc/82/00/64/1251820064.db2.gz OMBCONCZHYVZRB-FJXKBIBVSA-N 0 2 369.307 0.722 20 0 FCADLN CC(C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1[nH]cc3c(=O)ncnc1-3)C2 ZINC000999333177 1252092371 /nfs/dbraw/zinc/09/23/71/1252092371.db2.gz BKLWGGCMIYDKOF-XBFCOCLRSA-N 0 2 372.429 0.365 20 0 FCADLN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cccc2n[nH]nc21)c1nnc[nH]1 ZINC000999366158 1252099288 /nfs/dbraw/zinc/09/92/88/1252099288.db2.gz UZPICYLFWVQYII-ZHAHWJHGSA-N 0 2 352.358 0.252 20 0 FCADLN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc2n[nH]nc2n1)c1[nH]ncc1F ZINC001005899155 1253659050 /nfs/dbraw/zinc/65/90/50/1253659050.db2.gz OHGVLPWZDJNHEA-HFKOZYHYSA-N 0 2 370.348 0.391 20 0 FCADLN Cc1nc[nH]c(=O)c1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]ncc1F)C2 ZINC001005901998 1253660450 /nfs/dbraw/zinc/66/04/50/1253660450.db2.gz KKPBAHXIETZSHI-IEBDPFPHSA-N 0 2 360.349 0.528 20 0 FCADLN Cc1c(C(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)nnn1Cc1ccncc1 ZINC001329546710 1265779408 /nfs/dbraw/zinc/77/94/08/1265779408.db2.gz IJINYZNAEZNGQI-ZDUSSCGKSA-N 0 2 368.401 0.873 20 0 FCADLN O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC2(C[NH+](Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001035754292 1254062209 /nfs/dbraw/zinc/06/22/09/1254062209.db2.gz JFZICPOJZJRXFF-JYKNGBAOSA-N 0 2 359.430 0.358 20 0 FCADLN CC(C)(C(=O)N1CCN(c2nc(C(=O)[O-])cs2)CC1)[NH+]1CCOCC1 ZINC001520200393 1265876431 /nfs/dbraw/zinc/87/64/31/1265876431.db2.gz YNFIINAVNCSEKG-UHFFFAOYSA-N 0 2 368.459 0.601 20 0 FCADLN Cc1ccc(C2(C(=O)N[C@@H]3CN(Cc4n[nH]c(=O)[nH]4)C[C@H]3O)CCC2)cc1 ZINC001078253780 1255364299 /nfs/dbraw/zinc/36/42/99/1255364299.db2.gz QRUHYQLXILIGPN-HUUCEWRRSA-N 0 2 371.441 0.602 20 0 FCADLN C[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C[C@H]1Cc2ccccc2O1 ZINC001079753746 1255593154 /nfs/dbraw/zinc/59/31/54/1255593154.db2.gz IONUMVZITUIDKF-MRVWCRGKSA-N 0 2 357.414 0.841 20 0 FCADLN 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FCADLN C[N@H+]([C@@H](COC1CCC1)C(=O)[O-])[C@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC001598109205 990496152 /nfs/dbraw/zinc/49/61/52/990496152.db2.gz HEOLLYUXZBMFQU-KBPBESRZSA-N 0 2 370.446 0.883 20 0 FCADLN C[N@@H+]([C@@H](COC1CCC1)C(=O)[O-])[C@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC001598109205 990496156 /nfs/dbraw/zinc/49/61/56/990496156.db2.gz HEOLLYUXZBMFQU-KBPBESRZSA-N 0 2 370.446 0.883 20 0 FCADLN C[NH+](C)Cc1csc(CN2C(=O)[C@@H]3C[C@H](C(=O)[O-])CCN3C2=O)n1 ZINC001598255292 991058248 /nfs/dbraw/zinc/05/82/48/991058248.db2.gz CCIMOPRNGZRBSN-KOLCDFICSA-N 0 2 352.416 0.832 20 0 FCADLN C[NH+](C)Cc1csc(CN2C(=O)[C@@H]3CC[C@H](C(=O)[O-])CN3C2=O)n1 ZINC001598255732 991061123 /nfs/dbraw/zinc/06/11/23/991061123.db2.gz JJOTXENEABDMMP-ONGXEEELSA-N 0 2 352.416 0.832 20 0 FCADLN COc1ccccc1CCNC(=O)C[N@@H+]1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001599710295 991360216 /nfs/dbraw/zinc/36/02/16/991360216.db2.gz LAAXHNZNSYJDIA-GOSISDBHSA-N 0 2 361.398 0.659 20 0 FCADLN COc1ccccc1CCNC(=O)C[N@H+]1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001599710295 991360220 /nfs/dbraw/zinc/36/02/20/991360220.db2.gz LAAXHNZNSYJDIA-GOSISDBHSA-N 0 2 361.398 0.659 20 0 FCADLN COc1ccccc1N1C[C@H](C(=O)N[C@H](Cn2cc[nH+]c2)C(=O)[O-])CC1=O ZINC001599712558 991396281 /nfs/dbraw/zinc/39/62/81/991396281.db2.gz JAIFMCWWQSPPLO-CHWSQXEVSA-N 0 2 372.381 0.514 20 0 FCADLN CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001591108227 991745980 /nfs/dbraw/zinc/74/59/80/991745980.db2.gz ARANTNNRHLIRNL-YUTCNCBUSA-N 0 2 366.418 0.184 20 0 FCADLN CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001591108227 991745990 /nfs/dbraw/zinc/74/59/90/991745990.db2.gz ARANTNNRHLIRNL-YUTCNCBUSA-N 0 2 366.418 0.184 20 0 FCADLN CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C(=O)[O-])c1ccccn1 ZINC001591108938 991755866 /nfs/dbraw/zinc/75/58/66/991755866.db2.gz OYNUWWGNBGMOGQ-GOEBONIOSA-N 0 2 373.413 0.820 20 0 FCADLN CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C(=O)[O-])c1ccccn1 ZINC001591108938 991755875 /nfs/dbraw/zinc/75/58/75/991755875.db2.gz OYNUWWGNBGMOGQ-GOEBONIOSA-N 0 2 373.413 0.820 20 0 FCADLN CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC001591109166 991759959 /nfs/dbraw/zinc/75/99/59/991759959.db2.gz WNAMLVHCFJQQFJ-KGLIPLIRSA-N 0 2 350.419 0.853 20 0 FCADLN CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC001591109166 991759970 /nfs/dbraw/zinc/75/99/70/991759970.db2.gz WNAMLVHCFJQQFJ-KGLIPLIRSA-N 0 2 350.419 0.853 20 0 FCADLN COc1nsc(C[NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c1Br ZINC001599741334 991861672 /nfs/dbraw/zinc/86/16/72/991861672.db2.gz FEIGIODHKPLSAS-WDSKDSINSA-N 0 2 366.237 0.982 20 0 FCADLN CN(CCCC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-])C(=O)c1ccncc1 ZINC001598473706 992058519 /nfs/dbraw/zinc/05/85/19/992058519.db2.gz IHODNVCWPVDRAZ-CQSZACIVSA-N 0 2 359.386 0.469 20 0 FCADLN CN(CCCC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)[O-])C(=O)c1ccncc1 ZINC001598473706 992058525 /nfs/dbraw/zinc/05/85/25/992058525.db2.gz IHODNVCWPVDRAZ-CQSZACIVSA-N 0 2 359.386 0.469 20 0 FCADLN CC(C)CN(C(=O)C[N@@H+]1CCC[C@](C)(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC001591280369 992207906 /nfs/dbraw/zinc/20/79/06/992207906.db2.gz HAKVBAJNUNDSMV-PBHICJAKSA-N 0 2 374.503 0.845 20 0 FCADLN CC(C)CN(C(=O)C[N@H+]1CCC[C@](C)(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC001591280369 992207919 /nfs/dbraw/zinc/20/79/19/992207919.db2.gz HAKVBAJNUNDSMV-PBHICJAKSA-N 0 2 374.503 0.845 20 0 FCADLN CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001598488316 992242291 /nfs/dbraw/zinc/24/22/91/992242291.db2.gz SOJXGRKYEWUSEV-UHFFFAOYSA-N 0 2 364.402 0.288 20 0 FCADLN CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001598488316 992242301 /nfs/dbraw/zinc/24/23/01/992242301.db2.gz SOJXGRKYEWUSEV-UHFFFAOYSA-N 0 2 364.402 0.288 20 0 FCADLN Cn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCc2ccc(C(=O)[O-])nc2C1 ZINC001598569035 993175810 /nfs/dbraw/zinc/17/58/10/993175810.db2.gz GWIQIHDGIGCFJF-BXUZGUMPSA-N 0 2 358.402 0.209 20 0 FCADLN Cn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCc2ccc(C(=O)[O-])nc2C1 ZINC001598569035 993175820 /nfs/dbraw/zinc/17/58/20/993175820.db2.gz GWIQIHDGIGCFJF-BXUZGUMPSA-N 0 2 358.402 0.209 20 0 FCADLN C[C@H](NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001593077777 993638439 /nfs/dbraw/zinc/63/84/39/993638439.db2.gz HQFXAJSBYNJQFP-JTOWHCCKSA-N 0 2 352.479 0.907 20 0 FCADLN C[C@H](NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)[C@@H]1CN(C)CC[N@H+]1C ZINC001593077777 993638444 /nfs/dbraw/zinc/63/84/44/993638444.db2.gz HQFXAJSBYNJQFP-JTOWHCCKSA-N 0 2 352.479 0.907 20 0 FCADLN C[N@@H+]1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001598612122 993796120 /nfs/dbraw/zinc/79/61/20/993796120.db2.gz QAJQYUMEPVWSDT-RWMBFGLXSA-N 0 2 355.435 0.765 20 0 FCADLN C[N@H+]1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001598612122 993796128 /nfs/dbraw/zinc/79/61/28/993796128.db2.gz QAJQYUMEPVWSDT-RWMBFGLXSA-N 0 2 355.435 0.765 20 0 FCADLN C[N@@H+]1CCN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C[C@H](C(=O)[O-])C1 ZINC001598612124 993797536 /nfs/dbraw/zinc/79/75/36/993797536.db2.gz WUJNVGGTJJWWPA-LLVKDONJSA-N 0 2 374.846 0.832 20 0 FCADLN C[N@H+]1CCN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C[C@H](C(=O)[O-])C1 ZINC001598612124 993797542 /nfs/dbraw/zinc/79/75/42/993797542.db2.gz WUJNVGGTJJWWPA-LLVKDONJSA-N 0 2 374.846 0.832 20 0 FCADLN C[C@@H](NC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)[C@H](C)[NH+]1CCOCC1 ZINC001593123728 993845520 /nfs/dbraw/zinc/84/55/20/993845520.db2.gz KRSLYJHNFHQIRN-NEPJUHHUSA-N 0 2 353.423 0.934 20 0 FCADLN C[N@@H+]1CCN(S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)C[C@H](C(=O)[O-])C1 ZINC001598620917 994004491 /nfs/dbraw/zinc/00/44/91/994004491.db2.gz GFCQOWZIMSGSHY-UZJPJQLHSA-N 0 2 355.482 0.076 20 0 FCADLN C[N@H+]1CCN(S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)C[C@H](C(=O)[O-])C1 ZINC001598620917 994004495 /nfs/dbraw/zinc/00/44/95/994004495.db2.gz 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CNC(=O)N[C@H]1CC[N@H+]([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC001598653079 994476367 /nfs/dbraw/zinc/47/63/67/994476367.db2.gz NEIOLOAGWNZUNA-GXSJLCMTSA-N 0 2 352.416 0.555 20 0 FCADLN COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC001598754622 995699009 /nfs/dbraw/zinc/69/90/09/995699009.db2.gz FUZRQJFZWYEJIP-FOGDFJRCSA-N 0 2 368.411 0.407 20 0 FCADLN COC(=O)[C@@H]1C[C@@H](O)C[N@H+]([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC001598754622 995699011 /nfs/dbraw/zinc/69/90/11/995699011.db2.gz FUZRQJFZWYEJIP-FOGDFJRCSA-N 0 2 368.411 0.407 20 0 FCADLN COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2CC(=O)N[C@@H](CC(C)C)C(=O)[O-])O1 ZINC001598758263 995747435 /nfs/dbraw/zinc/74/74/35/995747435.db2.gz GUWLFTYLEROGQA-RMEBNNNOSA-N 0 2 370.446 0.785 20 0 FCADLN COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2CC(=O)N[C@@H](CC(C)C)C(=O)[O-])O1 ZINC001598758263 995747437 /nfs/dbraw/zinc/74/74/37/995747437.db2.gz GUWLFTYLEROGQA-RMEBNNNOSA-N 0 2 370.446 0.785 20 0 FCADLN 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CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2ccnc(C(N)=O)c2)s1 ZINC001250763180 857660349 /nfs/dbraw/zinc/66/03/49/857660349.db2.gz MACSWWDCUXPCQG-UHFFFAOYSA-N 0 2 355.401 0.127 20 0 FCADLN O=S(=O)([O-])c1cc(Cl)ccc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251026408 857686261 /nfs/dbraw/zinc/68/62/61/857686261.db2.gz QYJJZNVVIKQMNH-LLVKDONJSA-N 0 2 350.824 0.692 20 0 FCADLN O=C(Cn1[nH]cc2c(=O)ncnc1-2)NC1CCC(O)(C(F)(F)F)CC1 ZINC001253846143 857920725 /nfs/dbraw/zinc/92/07/25/857920725.db2.gz NFEXHOQMBKNOEX-UHFFFAOYSA-N 0 2 359.308 0.423 20 0 FCADLN COC(=O)[C@H](CCC(=O)[O-])[NH2+][C@H]1CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001257722385 858157336 /nfs/dbraw/zinc/15/73/36/858157336.db2.gz JIXCKXCDKKGTTF-QCNOEVLYSA-N 0 2 359.375 0.113 20 0 FCADLN CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Nc1cnc(C(N)=O)cn1)C(=O)C2 ZINC001258967357 858213975 /nfs/dbraw/zinc/21/39/75/858213975.db2.gz KDWUXVHTDGTGDA-VFZGTOFNSA-N 0 2 352.416 0.713 20 0 FCADLN CCOC(=O)Cn1cnc2c1ncnc2NS(=O)(=O)C1CCOCC1 ZINC001259907772 858302475 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CS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2O)c1 ZINC001260606139 858401933 /nfs/dbraw/zinc/40/19/33/858401933.db2.gz XLYGBMYUMNBFFB-UHFFFAOYSA-N 0 2 370.408 0.695 20 0 FCADLN COCCn1nccc1NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC001260668530 858411034 /nfs/dbraw/zinc/41/10/34/858411034.db2.gz DHXGHIQLALIVQM-UHFFFAOYSA-N 0 2 352.372 0.661 20 0 FCADLN NC(=O)c1cnc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c(Cl)c1 ZINC001261498581 858569620 /nfs/dbraw/zinc/56/96/20/858569620.db2.gz JMMROPLCYLKORZ-SSDOTTSWSA-N 0 2 350.766 0.677 20 0 FCADLN Cn1nnnc1NC(=O)[C@@]12C[C@@H]1CCN2C(=O)c1cccc(Cl)c1O ZINC001271579704 859971723 /nfs/dbraw/zinc/97/17/23/859971723.db2.gz IPKUBVIUEOXLCZ-VXJOIVPMSA-N 0 2 362.777 0.812 20 0 FCADLN CN(C)C(=O)CN1C[C@@H]2COC[C@H](C1)N2C(=O)c1cccc(Cl)c1O ZINC001272104660 860089554 /nfs/dbraw/zinc/08/95/54/860089554.db2.gz ALCLQQRXDMTNGX-TXEJJXNPSA-N 0 2 367.833 0.659 20 0 FCADLN NC(=O)[C@H]1CCSC12CN(C(=O)c1csc3c1[nH]cnc3=O)C2 ZINC001272863845 860284254 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O=C(CCc1cccnc1)N[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@@H]1O ZINC001289666742 865208563 /nfs/dbraw/zinc/20/85/63/865208563.db2.gz AAPHNHBPLRWFHT-MDZLAQPJSA-N 0 2 363.311 0.603 20 0 FCADLN O=C(c1ncc(Br)cc1O)N1CCOC[C@@H]1c1nn[nH]n1 ZINC001302137315 866310476 /nfs/dbraw/zinc/31/04/76/866310476.db2.gz LXHXQVZGDHLLMK-SSDOTTSWSA-N 0 2 355.152 0.277 20 0 FCADLN O=C([O-])COCC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC001349485789 866357477 /nfs/dbraw/zinc/35/74/77/866357477.db2.gz COAADKMEOLWDRA-UHFFFAOYSA-N 0 2 352.387 0.115 20 0 FCADLN CS(=O)(=O)Cc1nnc(CNC(=O)c2ccnc(Br)c2)[nH]1 ZINC001304085469 866495085 /nfs/dbraw/zinc/49/50/85/866495085.db2.gz BQMXNWRVPOESFD-UHFFFAOYSA-N 0 2 374.220 0.437 20 0 FCADLN CS(=O)(=O)Cc1nnc(CNC(=O)c2cnc([C@H]3CCCO3)s2)[nH]1 ZINC001304087238 866499073 /nfs/dbraw/zinc/49/90/73/866499073.db2.gz VMYOGYUDMCOHKK-MRVPVSSYSA-N 0 2 371.444 0.587 20 0 FCADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cnn(C[C@@H](O)CO)c1 ZINC001350543609 866622849 /nfs/dbraw/zinc/62/28/49/866622849.db2.gz UOSQJCPJISCZJM-SNVBAGLBSA-N 0 2 363.399 0.219 20 0 FCADLN COC(=O)c1cc(S(=O)(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)n[nH]1 ZINC001309451221 866808177 /nfs/dbraw/zinc/80/81/77/866808177.db2.gz ASRBDOATEOLVAR-VIFPVBQESA-N 0 2 367.309 0.512 20 0 FCADLN COC(=O)[C@](C)(CO)NS(=O)(=O)Cc1ncsc1Br ZINC001309572338 866841913 /nfs/dbraw/zinc/84/19/13/866841913.db2.gz XEIZCYMAFYRVET-VIFPVBQESA-N 0 2 373.250 0.249 20 0 FCADLN NC(=O)CN1CCC(NS(=O)(=O)c2onc(C3CC3)c2Cl)CC1 ZINC001309765130 866884673 /nfs/dbraw/zinc/88/46/73/866884673.db2.gz MMJIXDITRFAWQG-UHFFFAOYSA-N 0 2 362.839 0.433 20 0 FCADLN O=C(NCCCN1CCCCC1=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC001311911571 867128695 /nfs/dbraw/zinc/12/86/95/867128695.db2.gz LFFANVVUNXIJKP-GFCCVEGCSA-N 0 2 350.423 0.802 20 0 FCADLN CCc1nc([C@@H](C)NC(=O)NCc2nnc(CS(C)(=O)=O)[nH]2)cs1 ZINC001312011456 867134339 /nfs/dbraw/zinc/13/43/39/867134339.db2.gz HEDHZXXAIIESPM-MRVPVSSYSA-N 0 2 372.476 0.929 20 0 FCADLN CS(=O)(=O)Cc1nnc(CNC(=O)NC2([C@H]3CCCO3)CCC2)[nH]1 ZINC001313347312 867268070 /nfs/dbraw/zinc/26/80/70/867268070.db2.gz MVTMMBFUJRCFRA-SNVBAGLBSA-N 0 2 357.436 0.250 20 0 FCADLN COc1ccc2c(c1)CN(C(=O)NCc1nnc(CS(C)(=O)=O)[nH]1)C2 ZINC001313348077 867268185 /nfs/dbraw/zinc/26/81/85/867268185.db2.gz VYGNHHJPRZCWNR-UHFFFAOYSA-N 0 2 365.415 0.583 20 0 FCADLN O=C(Cn1[nH]cc2c(=O)ncnc1-2)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC001353288193 867389941 /nfs/dbraw/zinc/38/99/41/867389941.db2.gz HALGEASQZAMPPW-VXGBXAGGSA-N 0 2 363.443 0.584 20 0 FCADLN CCn1cc(S(=O)(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)cn1 ZINC001318378237 867654187 /nfs/dbraw/zinc/65/41/87/867654187.db2.gz FPIZPTGVJCDJEZ-LLVKDONJSA-N 0 2 373.460 0.568 20 0 FCADLN COC(=O)[C@H](CNC(=O)C[C@H]1SC(=N)NC1=O)Cc1ccncc1 ZINC001318731149 867736507 /nfs/dbraw/zinc/73/65/07/867736507.db2.gz KLPYTNBCHFTEJC-WDEREUQCSA-N 0 2 350.400 0.086 20 0 FCADLN O=C([O-])CC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)CCCO3)CC1 ZINC001320433933 868166501 /nfs/dbraw/zinc/16/65/01/868166501.db2.gz IXUFFDDDFBMIGD-UHFFFAOYSA-N 0 2 354.428 0.793 20 0 FCADLN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCCc1n[nH]c(=O)[nH]1 ZINC001320605015 868217910 /nfs/dbraw/zinc/21/79/10/868217910.db2.gz UWAJGPKIAYCIDG-KWBADKCTSA-N 0 2 368.463 0.285 20 0 FCADLN Cc1nc2ccc(S(=O)(=O)Nc3ncn(CC(=O)N(C)C)n3)cc2o1 ZINC001320650476 868233153 /nfs/dbraw/zinc/23/31/53/868233153.db2.gz MLWUIXQZUMCRDZ-UHFFFAOYSA-N 0 2 364.387 0.617 20 0 FCADLN Cn1ncc2cc(S(=O)(=O)Nc3ncn(CC(F)(F)F)n3)cnc21 ZINC001320900835 868310853 /nfs/dbraw/zinc/31/08/53/868310853.db2.gz RXYOSXFXOCVDTI-UHFFFAOYSA-N 0 2 361.309 0.923 20 0 FCADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)N1CCS(=O)(=O)CC1 ZINC001320957534 868328149 /nfs/dbraw/zinc/32/81/49/868328149.db2.gz AYASXCNTHGQISW-UHFFFAOYSA-N 0 2 356.429 0.679 20 0 FCADLN Cn1cc(CN(CCn2cc[nH+]c2)C(=O)CSc2n[nH]c(=O)[n-]2)cn1 ZINC001326474664 870338120 /nfs/dbraw/zinc/33/81/20/870338120.db2.gz CQJVNRXWSNTGQQ-UHFFFAOYSA-N 0 2 362.419 0.261 20 0 FCADLN CCCN(C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H](C)C(=O)[O-] ZINC001343445166 870430672 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CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(CC)CC)C[C@H]1OC ZINC001213759301 854754602 /nfs/dbraw/zinc/75/46/02/854754602.db2.gz FXLQWTKURKYQGW-ARFHVFGLSA-N 0 2 356.511 0.401 20 0 FCADLN CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001213759435 854754748 /nfs/dbraw/zinc/75/47/48/854754748.db2.gz LGHSXTPYWFQNHD-RBSFLKMASA-N 0 2 356.511 0.447 20 0 FCADLN CCCCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@H](OC)C1 ZINC001213759250 854754784 /nfs/dbraw/zinc/75/47/84/854754784.db2.gz BXMXYESFRXOFOZ-BZUAXINKSA-N 0 2 356.511 0.448 20 0 FCADLN CO[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1NC(=O)CC(C)(C)C(F)(F)F ZINC001213799044 854772970 /nfs/dbraw/zinc/77/29/70/854772970.db2.gz YENKTCBMXIXJSF-RKDXNWHRSA-N 0 2 365.356 0.804 20 0 FCADLN COCCOCN1CCC2(CN(C(=O)c3nc(SC)ncc3O)C2)C1 ZINC001279078300 862629394 /nfs/dbraw/zinc/62/93/94/862629394.db2.gz VRYSQTJDSRYPHT-UHFFFAOYSA-N 0 2 368.459 0.673 20 0 FCADLN Cc1n[nH]c(C(=O)N2CCO[C@@H]3C[N@@H+](CCCOC(C)C)C[C@@H]32)c1[O-] ZINC001217644168 855357849 /nfs/dbraw/zinc/35/78/49/855357849.db2.gz WRYOGQGYSUBFNY-UONOGXRCSA-N 0 2 352.435 0.764 20 0 FCADLN Cc1n[nH]c(C(=O)N2CCO[C@@H]3C[N@H+](CCCOC(C)C)C[C@@H]32)c1[O-] ZINC001217644168 855357851 /nfs/dbraw/zinc/35/78/51/855357851.db2.gz WRYOGQGYSUBFNY-UONOGXRCSA-N 0 2 352.435 0.764 20 0 FCADLN CCN(CC)C(=O)CN1C[C@H]2OCCN(C(=O)C(F)C(F)(F)F)[C@H]2C1 ZINC001217941652 855385097 /nfs/dbraw/zinc/38/50/97/855385097.db2.gz YOFPZRJELQNKQL-DMDPSCGWSA-N 0 2 369.359 0.667 20 0 FCADLN CCC[C@H](OCC)C(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[nH]3)C[C@@H]21 ZINC001218498070 855429887 /nfs/dbraw/zinc/42/98/87/855429887.db2.gz MTZKSHILAMPLMZ-RWMBFGLXSA-N 0 2 353.423 0.127 20 0 FCADLN C[C@@H](CC(F)(F)F)C(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[nH]3)C[C@@H]21 ZINC001218575517 855442777 /nfs/dbraw/zinc/44/27/77/855442777.db2.gz LGIMTGNRBSOKEK-LPEHRKFASA-N 0 2 363.340 0.510 20 0 FCADLN C[C@@H](CC(C)(C)C)C(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[nH]3)C[C@@H]21 ZINC001218745339 855474339 /nfs/dbraw/zinc/47/43/39/855474339.db2.gz OKDIEHDKCLUMAV-RWMBFGLXSA-N 0 2 351.451 0.994 20 0 FCADLN COc1cccc(CN2C[C@@H](NC(=O)C(F)C(F)(F)F)[C@@H](O)C2)n1 ZINC001219665670 855761216 /nfs/dbraw/zinc/76/12/16/855761216.db2.gz SOWRRGUVRYXVES-JFGNBEQYSA-N 0 2 351.300 0.652 20 0 FCADLN COc1cccc(CN2C[C@@H](NC(=O)[C@@H](F)C(F)(F)F)[C@@H](O)C2)n1 ZINC001219665670 855761223 /nfs/dbraw/zinc/76/12/23/855761223.db2.gz SOWRRGUVRYXVES-JFGNBEQYSA-N 0 2 351.300 0.652 20 0 FCADLN CC(C)Cc1noc(CN2C[C@@H](NC(=O)C(F)C(F)(F)F)[C@@H](O)C2)n1 ZINC001219667770 855761666 /nfs/dbraw/zinc/76/16/66/855761666.db2.gz LADQDDMAQOWJFM-VDDIYKPWSA-N 0 2 368.331 0.830 20 0 FCADLN CC(C)Cc1noc(CN2C[C@@H](NC(=O)[C@@H](F)C(F)(F)F)[C@@H](O)C2)n1 ZINC001219667770 855761669 /nfs/dbraw/zinc/76/16/69/855761669.db2.gz LADQDDMAQOWJFM-VDDIYKPWSA-N 0 2 368.331 0.830 20 0 FCADLN CCCc1noc(CN2C[C@@H](NC(=O)C(F)C(F)(F)F)[C@@H](O)C2)n1 ZINC001219668191 855762011 /nfs/dbraw/zinc/76/20/11/855762011.db2.gz RFYAGWKRMIDOPM-VHSKPIJISA-N 0 2 354.304 0.584 20 0 FCADLN CCCc1noc(CN2C[C@@H](NC(=O)[C@@H](F)C(F)(F)F)[C@@H](O)C2)n1 ZINC001219668191 855762020 /nfs/dbraw/zinc/76/20/20/855762020.db2.gz RFYAGWKRMIDOPM-VHSKPIJISA-N 0 2 354.304 0.584 20 0 FCADLN CC(C)Cn1ncnc1CN1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@@H](O)C1 ZINC001219667768 855762114 /nfs/dbraw/zinc/76/21/14/855762114.db2.gz KZLKWYNIRNGSSS-SCVCMEIPSA-N 0 2 367.347 0.496 20 0 FCADLN CC(C)Cn1ncnc1CN1C[C@@H](NC(=O)[C@H](F)C(F)(F)F)[C@@H](O)C1 ZINC001219667768 855762124 /nfs/dbraw/zinc/76/21/24/855762124.db2.gz KZLKWYNIRNGSSS-SCVCMEIPSA-N 0 2 367.347 0.496 20 0 FCADLN Cn1cc(Cl)c(CN2C[C@@H](NC(=O)C(F)C(F)(F)F)[C@@H](O)C2)n1 ZINC001219670231 855764040 /nfs/dbraw/zinc/76/40/40/855764040.db2.gz PHQUVVXRUUOXIW-UTLUCORTSA-N 0 2 358.723 0.635 20 0 FCADLN Cn1cc(Cl)c(CN2C[C@@H](NC(=O)[C@H](F)C(F)(F)F)[C@@H](O)C2)n1 ZINC001219670231 855764046 /nfs/dbraw/zinc/76/40/46/855764046.db2.gz PHQUVVXRUUOXIW-UTLUCORTSA-N 0 2 358.723 0.635 20 0 FCADLN O=C(N[C@@H]1CN(Cc2nnc(C3CC3)s2)C[C@@H]1O)C(F)C(F)(F)F ZINC001219670229 855764178 /nfs/dbraw/zinc/76/41/78/855764178.db2.gz PGJVZYNUTKEIBV-WEDXCCLWSA-N 0 2 368.356 0.977 20 0 FCADLN O=C(N[C@@H]1CN(Cc2nnc(C3CC3)s2)C[C@@H]1O)[C@H](F)C(F)(F)F ZINC001219670229 855764182 /nfs/dbraw/zinc/76/41/82/855764182.db2.gz PGJVZYNUTKEIBV-WEDXCCLWSA-N 0 2 368.356 0.977 20 0 FCADLN CC(C)=CCC[C@@H](C)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001220404203 856109461 /nfs/dbraw/zinc/10/94/61/856109461.db2.gz WWQCBDYGNLDNMA-MCIONIFRSA-N 0 2 351.451 0.944 20 0 FCADLN CN(C)C(=O)C[N@@H+]1C[C@@H]2COC[C@H](C1)N2Cc1ccc(C(=O)[O-])s1 ZINC001279260005 862799031 /nfs/dbraw/zinc/79/90/31/862799031.db2.gz QBFOMHXCCJNBHR-TXEJJXNPSA-N 0 2 353.444 0.420 20 0 FCADLN CN(C)C(=O)C[N@H+]1C[C@@H]2COC[C@H](C1)N2Cc1ccc(C(=O)[O-])s1 ZINC001279260005 862799048 /nfs/dbraw/zinc/79/90/48/862799048.db2.gz QBFOMHXCCJNBHR-TXEJJXNPSA-N 0 2 353.444 0.420 20 0 FCADLN COCCCNC(=O)CN1CC[C@@H]2CN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001221562102 856607311 /nfs/dbraw/zinc/60/73/11/856607311.db2.gz LMVVPTONCGSHQM-WZRBSPASSA-N 0 2 369.359 0.572 20 0 FCADLN Cc1ncc(CO)c(C[N@H+]2C[C@H]3CN(CC[NH+](C)C)C[C@@H](C2)O3)c1O ZINC001279326916 862831834 /nfs/dbraw/zinc/83/18/34/862831834.db2.gz YITSPXARJOMERR-IYBDPMFKSA-N 0 2 350.463 0.035 20 0 FCADLN CC(C)(C)OC(=O)CCO[C@@H](C[NH+]1CCOCC1)CS(=O)(=O)[O-] ZINC001222187002 856810752 /nfs/dbraw/zinc/81/07/52/856810752.db2.gz HOAJVSBNKHAVQA-LBPRGKRZSA-N 0 2 353.437 0.323 20 0 FCADLN COC(=O)[C@@H](O[C@@H](C[NH+]1CCOCC1)CS(=O)(=O)[O-])c1ccccc1 ZINC001223069882 856894111 /nfs/dbraw/zinc/89/41/11/856894111.db2.gz RBBZOIKNJAJGEC-GJZGRUSLSA-N 0 2 373.427 0.506 20 0 FCADLN COC1CCC(CNC(=O)NCc2nnc(CS(C)(=O)=O)[nH]2)CC1 ZINC001223176611 856899210 /nfs/dbraw/zinc/89/92/10/856899210.db2.gz FHMGFSFNSDSRJV-UHFFFAOYSA-N 0 2 359.452 0.354 20 0 FCADLN COCc1cccc(CO[C@@H](C[NH+]2CCOCC2)CS(=O)(=O)[O-])c1 ZINC001223935575 856952676 /nfs/dbraw/zinc/95/26/76/856952676.db2.gz WORIEJTXWZZFAU-INIZCTEOSA-N 0 2 359.444 0.938 20 0 FCADLN O=S(=O)([O-])C[C@@H](C[NH+]1CCOCC1)OCCCN1CCCCO1 ZINC001224292778 856977301 /nfs/dbraw/zinc/97/73/01/856977301.db2.gz YTTZKSWMTVRJGX-CQSZACIVSA-N 0 2 352.453 0.009 20 0 FCADLN O=S(=O)([O-])C[C@H](C[NH+]1CCOCC1)Oc1ccc2cccc(O)c2n1 ZINC001225589871 857049285 /nfs/dbraw/zinc/04/92/85/857049285.db2.gz GQTYXDZCPYOYJQ-ZDUSSCGKSA-N 0 2 368.411 0.908 20 0 FCADLN C[C@@H](Cn1cnc2c1c(=O)n(C)c(=O)n2C)Oc1nc(Cl)cc(=O)[nH]1 ZINC001225562010 857049676 /nfs/dbraw/zinc/04/96/76/857049676.db2.gz DDVUGYDLPIVFMT-ZETCQYMHSA-N 0 2 366.765 0.050 20 0 FCADLN CCOC(=O)[C@H]1CC[C@H](Oc2[nH]c(=O)nc3c(=O)[nH]c(=O)[nH]c23)CO1 ZINC001226888058 857130120 /nfs/dbraw/zinc/13/01/20/857130120.db2.gz NPJCCPTVKNHRFD-NKWVEPMBSA-N 0 2 352.303 0.026 20 0 FCADLN O=S(=O)([O-])C[C@@H](C[NH+]1CCOCC1)Oc1cnnc2ccccc21 ZINC001226896733 857131191 /nfs/dbraw/zinc/13/11/91/857131191.db2.gz XNXIXNIALRVEBN-GFCCVEGCSA-N 0 2 353.400 0.597 20 0 FCADLN COC(=O)Cc1ccc(O[C@H](C[NH+]2CCOCC2)CS(=O)(=O)[O-])cc1 ZINC001226930286 857131736 /nfs/dbraw/zinc/13/17/36/857131736.db2.gz MIWDECATJMPVOY-OAHLLOKOSA-N 0 2 373.427 0.370 20 0 FCADLN CCOC(=O)CC[C@@H](Oc1[nH]c(=O)nc2nccnc21)C(=O)OCC ZINC001226989362 857135615 /nfs/dbraw/zinc/13/56/15/857135615.db2.gz IETWFCQODGWLSH-SECBINFHSA-N 0 2 350.331 0.779 20 0 FCADLN Nc1nc2c(cccc2O[C@H](C[NH+]2CCOCC2)CS(=O)(=O)[O-])s1 ZINC001228234976 857198212 /nfs/dbraw/zinc/19/82/12/857198212.db2.gz OZKVUNOEVHENLH-SNVBAGLBSA-N 0 2 373.456 0.846 20 0 FCADLN Cn1c2ccccc2nc1O[C@H](C[NH+]1CCOCC1)CS(=O)(=O)[O-] ZINC001228659180 857221324 /nfs/dbraw/zinc/22/13/24/857221324.db2.gz FEPZLPOXVCSEML-GFCCVEGCSA-N 0 2 355.416 0.541 20 0 FCADLN O=S(=O)([O-])C[C@@H](C[NH+]1CCOCC1)Oc1ncc(O)c2ccccc21 ZINC001229143300 857253091 /nfs/dbraw/zinc/25/30/91/857253091.db2.gz GVYDQLJJUBZOBT-GFCCVEGCSA-N 0 2 368.411 0.908 20 0 FCADLN CS(=O)(=O)Cc1nnc(CNC(=O)NC[C@@H]2COc3ccccc32)[nH]1 ZINC001229568708 857276065 /nfs/dbraw/zinc/27/60/65/857276065.db2.gz HABHRMDUQUWYAS-SNVBAGLBSA-N 0 2 365.415 0.325 20 0 FCADLN [NH2+]=C1CCCN1Cc1[nH]c(=O)nc(OC(=O)[C@H](O)CC(=O)[O-])c1Cl ZINC001230092660 857302445 /nfs/dbraw/zinc/30/24/45/857302445.db2.gz ZZBHFLHRMNKROS-SSDOTTSWSA-N 0 2 358.738 0.150 20 0 FCADLN O=S(=O)([O-])C[C@H](C[NH+]1CCOCC1)Oc1ccc2ncc(F)cc2n1 ZINC001233735186 857390393 /nfs/dbraw/zinc/39/03/93/857390393.db2.gz LKNKPMAJJXOFOE-LBPRGKRZSA-N 0 2 371.390 0.736 20 0 FCADLN O=S(=O)([O-])C[C@H](C[NH+]1CCOCC1)Oc1ccnc2cc(F)cnc21 ZINC001234890273 857414991 /nfs/dbraw/zinc/41/49/91/857414991.db2.gz NNVKMTQIVORRGK-LBPRGKRZSA-N 0 2 371.390 0.736 20 0 FCADLN CCCCS(=O)(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O ZINC001253782064 857912147 /nfs/dbraw/zinc/91/21/47/857912147.db2.gz LYSWTCCCNGUUNM-IMSIIYSGSA-N 0 2 371.419 0.009 20 0 FCADLN CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N[C@@H]1COCCC13OCCO3)C(=O)C2 ZINC001258974907 858214365 /nfs/dbraw/zinc/21/43/65/858214365.db2.gz GLPPDTZJYZWQEV-ZENOOKHLSA-N 0 2 373.471 0.833 20 0 FCADLN CC(=O)N1CCC(Cn2nccc2NS(=O)(=O)c2cnn(C)c2)CC1 ZINC001259820978 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FCADLN CCc1nn(CC(=O)Nc2cc(C)on2)c(=O)c(-c2nn[nH]n2)c1CC ZINC000736705555 598377638 /nfs/dbraw/zinc/37/76/38/598377638.db2.gz KDYSQFBYKCWUPR-UHFFFAOYSA-N 0 2 358.362 0.483 20 0 FCADLN CC[C@@H](Cc1ccccc1)Nc1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C ZINC000736354210 598522821 /nfs/dbraw/zinc/52/28/21/598522821.db2.gz ZVSQWGFZMNPADL-LBPRGKRZSA-N 0 2 355.402 0.697 20 0 FCADLN Cc1[nH]c(=O)c(-c2nn[nH]n2)c(C)c1CCC(=O)OC[C@H]1COCCO1 ZINC000737200986 598787692 /nfs/dbraw/zinc/78/76/92/598787692.db2.gz OWAGVFUAJDJLNI-LLVKDONJSA-N 0 2 363.374 0.475 20 0 FCADLN Cn1c(=O)c(-c2nn[nH]n2)c(NC[C@H]2CCc3ccccc3N2)n(C)c1=O ZINC000737596980 598809742 /nfs/dbraw/zinc/80/97/42/598809742.db2.gz PASZMJVEZVRLRG-LLVKDONJSA-N 0 2 368.401 0.103 20 0 FCADLN Cn1c(=O)c(-c2nn[nH]n2)c(Nc2ccc(OCC3CC3)cc2)n(C)c1=O ZINC000737597106 598817734 /nfs/dbraw/zinc/81/77/34/598817734.db2.gz PXAXMMVHLGGTKM-UHFFFAOYSA-N 0 2 369.385 0.797 20 0 FCADLN Cc1ccc([C@@H]2CCCCN2c2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)o1 ZINC000737328896 599297222 /nfs/dbraw/zinc/29/72/22/599297222.db2.gz IITNTYDOGBZRLE-NSHDSACASA-N 0 2 371.401 0.897 20 0 FCADLN Cc1[nH]c(=O)c(-c2nn[nH]n2)c(C)c1CCC(=O)OCCCNC(N)=O ZINC000737199523 599360650 /nfs/dbraw/zinc/36/06/50/599360650.db2.gz HNJAKFUXXHZNMD-UHFFFAOYSA-N 0 2 363.378 0.118 20 0 FCADLN Cn1c(=O)c(-c2nn[nH]n2)c(NCCc2nc3ccccc3o2)n(C)c1=O ZINC000822601240 599361315 /nfs/dbraw/zinc/36/13/15/599361315.db2.gz VUPIWRNNBQTPQB-UHFFFAOYSA-N 0 2 368.357 0.060 20 0 FCADLN CCc1ccc(CCNc2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000736683398 599440220 /nfs/dbraw/zinc/44/02/20/599440220.db2.gz QLVJVNVFXSWYNS-UHFFFAOYSA-N 0 2 355.402 0.481 20 0 FCADLN Cc1[nH]c(=O)c(-c2nn[nH]n2)c(C)c1CCC(=O)NC[C@](C)(O)C1CC1 ZINC000822005645 599488985 /nfs/dbraw/zinc/48/89/85/599488985.db2.gz TUFWEUKTJBWXOE-KRWDZBQOSA-N 0 2 360.418 0.794 20 0 FCADLN CCCC(O)(CCC)CNc1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C ZINC000736435804 599530172 /nfs/dbraw/zinc/53/01/72/599530172.db2.gz OHEMNLGUQUQYHJ-UHFFFAOYSA-N 0 2 351.411 0.007 20 0 FCADLN O=C([O-])[C@H]([NH2+]CC(=O)N1CCN(c2cnccn2)CC1)c1ccccc1 ZINC000739505704 599783235 /nfs/dbraw/zinc/78/32/35/599783235.db2.gz DXVPRFKGNIHQAP-QGZVFWFLSA-N 0 2 355.398 0.541 20 0 FCADLN O=C([O-])[C@@H]([NH2+]CC(=O)N1CCNC1=O)c1ccc(Br)cc1 ZINC000739505599 599791186 /nfs/dbraw/zinc/79/11/86/599791186.db2.gz CPPZUXVNZHNYFM-NSHDSACASA-N 0 2 356.176 0.716 20 0 FCADLN COc1ccc(CNC(=O)NCC[N@@H+]2CCOC[C@@H]2C)cc1C(=O)[O-] ZINC000738007754 599831820 /nfs/dbraw/zinc/83/18/20/599831820.db2.gz ZRUUMVDVFXWZHP-LBPRGKRZSA-N 0 2 351.403 0.913 20 0 FCADLN COc1ccc(CNC(=O)NCC[N@H+]2CCOC[C@@H]2C)cc1C(=O)[O-] ZINC000738007754 599831821 /nfs/dbraw/zinc/83/18/21/599831821.db2.gz ZRUUMVDVFXWZHP-LBPRGKRZSA-N 0 2 351.403 0.913 20 0 FCADLN COc1ccc([C@H]([NH2+]CC(=O)N2CCC[C@@H](NC(C)=O)C2)C(=O)[O-])cc1 ZINC000737972223 599860908 /nfs/dbraw/zinc/86/09/08/599860908.db2.gz NEWQFNXPOFVOBD-PBHICJAKSA-N 0 2 363.414 0.538 20 0 FCADLN CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCCN(Cc2cnn(C)c2)CC1)C(=O)[O-] ZINC000736880278 599967346 /nfs/dbraw/zinc/96/73/46/599967346.db2.gz VTXCGLUTQBDQQY-YOEHRIQHSA-N 0 2 365.478 0.543 20 0 FCADLN CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCCN(Cc2cnn(C)c2)CC1)C(=O)[O-] ZINC000736880278 599967348 /nfs/dbraw/zinc/96/73/48/599967348.db2.gz VTXCGLUTQBDQQY-YOEHRIQHSA-N 0 2 365.478 0.543 20 0 FCADLN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+](C)C(C)(C)C(=O)[O-] ZINC000736824991 600134473 /nfs/dbraw/zinc/13/44/73/600134473.db2.gz IQOSJHJVXGXXDD-JTQLQIEISA-N 0 2 369.443 0.407 20 0 FCADLN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+](C)C(C)(C)C(=O)[O-] ZINC000736824991 600134475 /nfs/dbraw/zinc/13/44/75/600134475.db2.gz IQOSJHJVXGXXDD-JTQLQIEISA-N 0 2 369.443 0.407 20 0 FCADLN COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@@H+]1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000737867442 600139453 /nfs/dbraw/zinc/13/94/53/600139453.db2.gz KIQOFCIWOIIDTJ-RDBSUJKOSA-N 0 2 353.371 0.157 20 0 FCADLN COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@H+]1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000737867442 600139455 /nfs/dbraw/zinc/13/94/55/600139455.db2.gz KIQOFCIWOIIDTJ-RDBSUJKOSA-N 0 2 353.371 0.157 20 0 FCADLN O=C([O-])NCCC(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000739948232 600200027 /nfs/dbraw/zinc/20/00/27/600200027.db2.gz ISECZCRJKIOYJP-UHFFFAOYSA-N 0 2 355.416 0.593 20 0 FCADLN Cc1[nH]c(=O)c(-c2nn[nH]n2)c(C)c1CCC(=O)NC1(C(N)=O)CCC1 ZINC000826232761 607428102 /nfs/dbraw/zinc/42/81/02/607428102.db2.gz HQEDUFSWOMASNF-UHFFFAOYSA-N 0 2 359.390 0.041 20 0 FCADLN CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@@H+]1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000737487180 600311758 /nfs/dbraw/zinc/31/17/58/600311758.db2.gz JHQPEZOAUSGEQS-YPMHNXCESA-N 0 2 358.341 0.766 20 0 FCADLN CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@H+]1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000737487180 600311762 /nfs/dbraw/zinc/31/17/62/600311762.db2.gz JHQPEZOAUSGEQS-YPMHNXCESA-N 0 2 358.341 0.766 20 0 FCADLN C[C@H](CNS(=O)(=O)CCCC(=O)[O-])[NH+]1CCN(c2ccccc2)CC1 ZINC000736604469 600402274 /nfs/dbraw/zinc/40/22/74/600402274.db2.gz TUPTVXKUZRFXKV-OAHLLOKOSA-N 0 2 369.487 0.981 20 0 FCADLN C[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)CC1 ZINC000737517403 600415077 /nfs/dbraw/zinc/41/50/77/600415077.db2.gz IPNGVWWFDISYRQ-UHFFFAOYSA-N 0 2 357.313 0.699 20 0 FCADLN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+](C)CC(=O)NCc1ccccc1 ZINC000736199299 600438735 /nfs/dbraw/zinc/43/87/35/600438735.db2.gz IFUUSGCXGUPDKO-CQSZACIVSA-N 0 2 361.442 0.946 20 0 FCADLN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000736199299 600438737 /nfs/dbraw/zinc/43/87/37/600438737.db2.gz IFUUSGCXGUPDKO-CQSZACIVSA-N 0 2 361.442 0.946 20 0 FCADLN CN(Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1)C(=O)[O-] ZINC000737528947 600468878 /nfs/dbraw/zinc/46/88/78/600468878.db2.gz FGXSICGCFIBPMY-AWEZNQCLSA-N 0 2 364.402 0.182 20 0 FCADLN CN(Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1)C(=O)[O-] ZINC000737528947 600468880 /nfs/dbraw/zinc/46/88/80/600468880.db2.gz FGXSICGCFIBPMY-AWEZNQCLSA-N 0 2 364.402 0.182 20 0 FCADLN C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000737530285 600469059 /nfs/dbraw/zinc/46/90/59/600469059.db2.gz QPXNVOGEHJGPMT-JTQLQIEISA-N 0 2 355.778 0.424 20 0 FCADLN C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000737530285 600469060 /nfs/dbraw/zinc/46/90/60/600469060.db2.gz QPXNVOGEHJGPMT-JTQLQIEISA-N 0 2 355.778 0.424 20 0 FCADLN C[C@H](C[NH+]1CCOCC1)NC(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC000736587056 600642614 /nfs/dbraw/zinc/64/26/14/600642614.db2.gz UDKCGBOECVCZHB-CYBMUJFWSA-N 0 2 351.403 0.670 20 0 FCADLN CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000738152922 600669305 /nfs/dbraw/zinc/66/93/05/600669305.db2.gz BJGASLVZTQACQL-OLZOCXBDSA-N 0 2 360.476 0.503 20 0 FCADLN C[C@H](OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NCC(=O)[O-] ZINC000736684923 600806890 /nfs/dbraw/zinc/80/68/90/600806890.db2.gz OEFFZUGZRCFEGF-GXTWGEPZSA-N 0 2 350.371 0.020 20 0 FCADLN C[C@H](OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NCC(=O)[O-] ZINC000736684923 600806892 /nfs/dbraw/zinc/80/68/92/600806892.db2.gz OEFFZUGZRCFEGF-GXTWGEPZSA-N 0 2 350.371 0.020 20 0 FCADLN CC[C@@H](C)[C@@H](NC(=O)C[N@@H+]1CCc2nn(CC)c(=O)cc2C1)C(=O)[O-] ZINC000828719330 600826723 /nfs/dbraw/zinc/82/67/23/600826723.db2.gz QPLWYCVCTVRREI-BDJLRTHQSA-N 0 2 350.419 0.237 20 0 FCADLN CC[C@@H](C)[C@@H](NC(=O)C[N@H+]1CCc2nn(CC)c(=O)cc2C1)C(=O)[O-] ZINC000828719330 600826724 /nfs/dbraw/zinc/82/67/24/600826724.db2.gz QPLWYCVCTVRREI-BDJLRTHQSA-N 0 2 350.419 0.237 20 0 FCADLN Cc1nsc(N2CCC[N@@H+](CC(=O)N[C@H](CC(C)C)C(=O)[O-])CC2)n1 ZINC000833023826 600848442 /nfs/dbraw/zinc/84/84/42/600848442.db2.gz JOQPHQXUSDVUEJ-CYBMUJFWSA-N 0 2 369.491 0.974 20 0 FCADLN Cc1nsc(N2CCC[N@H+](CC(=O)N[C@H](CC(C)C)C(=O)[O-])CC2)n1 ZINC000833023826 600848444 /nfs/dbraw/zinc/84/84/44/600848444.db2.gz JOQPHQXUSDVUEJ-CYBMUJFWSA-N 0 2 369.491 0.974 20 0 FCADLN CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2sccc2C(=O)[O-])C[C@@H]1C ZINC000830011710 600895526 /nfs/dbraw/zinc/89/55/26/600895526.db2.gz LXSQYQZAKXFAMV-NSHDSACASA-N 0 2 369.443 0.954 20 0 FCADLN CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2sccc2C(=O)[O-])C[C@@H]1C ZINC000830011710 600895527 /nfs/dbraw/zinc/89/55/27/600895527.db2.gz LXSQYQZAKXFAMV-NSHDSACASA-N 0 2 369.443 0.954 20 0 FCADLN C[C@@H]1C[NH+](C(C)(C)CNS(=O)(=O)N(C)CCC(=O)[O-])C[C@@H](C)O1 ZINC000828410369 600992179 /nfs/dbraw/zinc/99/21/79/600992179.db2.gz AUQIGBLHEWWWMP-VXGBXAGGSA-N 0 2 351.469 0.115 20 0 FCADLN COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+](C)C(C)(C)C(=O)[O-] ZINC000832618074 601005183 /nfs/dbraw/zinc/00/51/83/601005183.db2.gz KXIVUFRPKTYRMV-UHFFFAOYSA-N 0 2 351.403 0.699 20 0 FCADLN COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+](C)C(C)(C)C(=O)[O-] ZINC000832618074 601005185 /nfs/dbraw/zinc/00/51/85/601005185.db2.gz KXIVUFRPKTYRMV-UHFFFAOYSA-N 0 2 351.403 0.699 20 0 FCADLN C[S@@](=O)CC[NH+]1CCN(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)CC1 ZINC000832729244 601027197 /nfs/dbraw/zinc/02/71/97/601027197.db2.gz CLURBTRVYYJYCP-SGANQWHYSA-N 0 2 370.471 0.121 20 0 FCADLN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2ccc(S(N)(=O)=O)s2)CC1 ZINC000827381064 601101267 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O=C([O-])CCN1CC[C@@H]([NH+]2CCN(c3ccc(Cl)cn3)CC2)C1=O ZINC001602015078 1286900580 /nfs/dbraw/zinc/90/05/80/1286900580.db2.gz IYOKLTDOOXMBEK-CYBMUJFWSA-N 0 2 352.822 0.933 20 0 FCADLN O=C([O-])CNC(=O)[C@@H]1CCCN1c1nc(NCCO)c2ccccc2[nH+]1 ZINC001602064856 1286919013 /nfs/dbraw/zinc/91/90/13/1286919013.db2.gz ASDPFSMRJSMEQQ-ZDUSSCGKSA-N 0 2 359.386 0.204 20 0 FCADLN O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001602106997 1286936452 /nfs/dbraw/zinc/93/64/52/1286936452.db2.gz HOYQUZMEFXFGCV-DZGCQCFKSA-N 0 2 365.434 0.980 20 0 FCADLN O=C([O-])Cc1csc(NC(=O)C[NH+]2CCC3(CC2)C[C@H](O)CCO3)n1 ZINC001602151467 1286950133 /nfs/dbraw/zinc/95/01/33/1286950133.db2.gz WCVBMVQKRCSVAI-GFCCVEGCSA-N 0 2 369.443 0.715 20 0 FCADLN O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)o1 ZINC001602394729 1286994694 /nfs/dbraw/zinc/99/46/94/1286994694.db2.gz ZDNCYBVHQGGOJZ-LBPRGKRZSA-N 0 2 358.416 0.853 20 0 FCADLN O=C([O-])c1ccc2c(c1)nc(C[NH2+][C@@H]1C(=O)NCC13CCOCC3)[nH]c2=O ZINC001602417011 1286998648 /nfs/dbraw/zinc/99/86/48/1286998648.db2.gz BWHOPMBRNONHJJ-CQSZACIVSA-N 0 2 372.381 0.418 20 0 FCADLN COc1ccccc1CN(C)C(=O)Cn1cncc(-c2nn[nH]n2)c1=O ZINC001609364143 1289118596 /nfs/dbraw/zinc/11/85/96/1289118596.db2.gz VJLGYOMANWRSAS-UHFFFAOYSA-N 0 2 355.358 0.091 20 0 FCADLN O=C([O-])c1cn([C@H]2CC[N@H+](CCS(=O)(=O)c3ccc(F)cc3)C2)nn1 ZINC001602497425 1287015035 /nfs/dbraw/zinc/01/50/35/1287015035.db2.gz BTPFVAWLUJYOFE-LBPRGKRZSA-N 0 2 368.390 0.836 20 0 FCADLN O=C([O-])c1cn([C@H]2CC[N@@H+](CCS(=O)(=O)c3ccc(F)cc3)C2)nn1 ZINC001602497425 1287015047 /nfs/dbraw/zinc/01/50/47/1287015047.db2.gz BTPFVAWLUJYOFE-LBPRGKRZSA-N 0 2 368.390 0.836 20 0 FCADLN O=C([O-])c1cn(C[NH+]2CCC(CN3C(=O)c4ccccc4C3=O)CC2)nn1 ZINC001602505362 1287017467 /nfs/dbraw/zinc/01/74/67/1287017467.db2.gz OCCMAUJHBMZIFU-UHFFFAOYSA-N 0 2 369.381 0.942 20 0 FCADLN COc1cc[nH+]c(N2CCN(Cn3cccc(-c4nnn[n-]4)c3=O)CC2)c1 ZINC001609364940 1289119250 /nfs/dbraw/zinc/11/92/50/1289119250.db2.gz WOKCTUPDSFBSBQ-UHFFFAOYSA-N 0 2 368.401 0.212 20 0 FCADLN O=C([O-])c1cncc(COC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)c1 ZINC001602539449 1287022051 /nfs/dbraw/zinc/02/20/51/1287022051.db2.gz QCZMSEOCNDJNRI-CABCVRRESA-N 0 2 350.371 0.703 20 0 FCADLN O=C([O-])c1coc(/C=C\C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC001602553552 1287024411 /nfs/dbraw/zinc/02/44/11/1287024411.db2.gz INJHJIGKQVNMNV-OYADATRGSA-N 0 2 350.371 0.551 20 0 FCADLN O=C([O-])c1coc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC001602559104 1287025364 /nfs/dbraw/zinc/02/53/64/1287025364.db2.gz WYZKRZRYCJQNJN-CYBMUJFWSA-N 0 2 358.416 0.853 20 0 FCADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC001602636073 1287043874 /nfs/dbraw/zinc/04/38/74/1287043874.db2.gz CLRGMKGMWZUAEK-JSGCOSHPSA-N 0 2 370.365 0.041 20 0 FCADLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC001602636073 1287043887 /nfs/dbraw/zinc/04/38/87/1287043887.db2.gz CLRGMKGMWZUAEK-JSGCOSHPSA-N 0 2 370.365 0.041 20 0 FCADLN CSc1[nH]c(=O)c(C(=O)N2CCc3n[nH]nc3C2)cc1-c1nn[nH]n1 ZINC001609372117 1289125506 /nfs/dbraw/zinc/12/55/06/1289125506.db2.gz QJLMGGTUQKKAKQ-UHFFFAOYSA-N 0 2 359.375 0.006 20 0 FCADLN C/C(=C\C(=O)NCc1c(C)nn(CC(=O)[O-])c1C)C[NH+]1CCOCC1 ZINC001602953497 1287169862 /nfs/dbraw/zinc/16/98/62/1287169862.db2.gz RIJLWSUSAHONIC-XYOKQWHBSA-N 0 2 350.419 0.479 20 0 FCADLN Cc1cc(-c2nn[nH]n2)ccc1C(=O)Nc1nn[nH]c1C(=O)NC1CC1 ZINC001609387541 1289133474 /nfs/dbraw/zinc/13/34/74/1289133474.db2.gz GJKWENKWYYQHDW-UHFFFAOYSA-N 0 2 353.346 0.438 20 0 FCADLN COC(=O)c1cc2cc(Cn3c(=O)[nH]cc(-c4nn[nH]n4)c3=O)ccc2o1 ZINC001604968397 1287824469 /nfs/dbraw/zinc/82/44/69/1287824469.db2.gz YOZDKSKHHHEBQL-UHFFFAOYSA-N 0 2 368.309 0.710 20 0 FCADLN CO[C@@H]1CN(c2nnc(-c3c[nH]c(=O)c(-c4nn[nH]n4)c3)n2C)CC[C@@H]1C ZINC001605036802 1287845889 /nfs/dbraw/zinc/84/58/89/1287845889.db2.gz KJOKFTXUMGZVHN-JOYOIKCWSA-N 0 2 371.405 0.624 20 0 FCADLN CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2cccc(F)c2C(=O)[O-])CC1 ZINC001605045858 1287855171 /nfs/dbraw/zinc/85/51/71/1287855171.db2.gz HSYFGTLMUIFDHT-LLVKDONJSA-N 0 2 360.407 0.601 20 0 FCADLN Cc1cc(C(N)=O)ccc1NS(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001609396224 1289137316 /nfs/dbraw/zinc/13/73/16/1289137316.db2.gz HRGLNXLROXUUHT-UHFFFAOYSA-N 0 2 359.371 0.470 20 0 FCADLN CCN(CC)C(=O)C[NH+]1CCN(c2ccc(C(=O)[O-])c(OC)n2)CC1 ZINC001605422876 1287954903 /nfs/dbraw/zinc/95/49/03/1287954903.db2.gz CAZSFYYZQHYQJX-UHFFFAOYSA-N 0 2 350.419 0.779 20 0 FCADLN Cc1[nH]c(=O)c(-c2nn[nH]n2)c(C)c1CCC(=O)N1CCC[C@@H](O)CC1 ZINC001605456201 1287967264 /nfs/dbraw/zinc/96/72/64/1287967264.db2.gz ULYZOIANUWFCNA-GFCCVEGCSA-N 0 2 360.418 0.890 20 0 FCADLN Cc1[nH]c(=O)c(-c2nn[nH]n2)c(C)c1CCC(=O)N1CC[C@H](O)C1(C)C ZINC001605456018 1287967674 /nfs/dbraw/zinc/96/76/74/1287967674.db2.gz QLASKVACFHTLBW-LBPRGKRZSA-N 0 2 360.418 0.889 20 0 FCADLN Cc1[nH]c(=O)c(-c2nn[nH]n2)c(C)c1CCC(=O)OC[C@H]1CCN(C)C1=O ZINC001605456445 1287967955 /nfs/dbraw/zinc/96/79/55/1287967955.db2.gz DKIHQQHCMYIEFA-LLVKDONJSA-N 0 2 374.401 0.538 20 0 FCADLN Cc1c(-c2nn[nH]n2)c(=O)n(C[C@H]2CC[C@@H](C(F)(F)F)O2)c(=O)n1C ZINC001605463008 1287970078 /nfs/dbraw/zinc/97/00/78/1287970078.db2.gz NHKKVDMJCLSKDP-SFYZADRCSA-N 0 2 360.296 0.145 20 0 FCADLN Cc1c(Br)cc(-c2nn[nH]n2)c(=O)n1CC(=O)N(C)C1CC1 ZINC001605468849 1287975844 /nfs/dbraw/zinc/97/58/44/1287975844.db2.gz NVJREVWIDQSPMA-UHFFFAOYSA-N 0 2 367.207 0.720 20 0 FCADLN CC[N@@H+]1CCO[C@H](C(=O)O[C@@H](C(=O)N2CCC(C(=O)[O-])CC2)C(C)C)C1 ZINC001605485731 1287979497 /nfs/dbraw/zinc/97/94/97/1287979497.db2.gz LYRKLXBCLIWGEF-LSDHHAIUSA-N 0 2 370.446 0.598 20 0 FCADLN CC[N@H+]1CCO[C@H](C(=O)O[C@@H](C(=O)N2CCC(C(=O)[O-])CC2)C(C)C)C1 ZINC001605485731 1287979498 /nfs/dbraw/zinc/97/94/98/1287979498.db2.gz LYRKLXBCLIWGEF-LSDHHAIUSA-N 0 2 370.446 0.598 20 0 FCADLN CC[N@@H+]1CCO[C@H](C(=O)OCc2c(C(=O)OC)sc(N)c2C(=O)[O-])C1 ZINC001605484961 1287979607 /nfs/dbraw/zinc/97/96/07/1287979607.db2.gz CJURDTAOWXTEJL-VIFPVBQESA-N 0 2 372.399 0.579 20 0 FCADLN CC[N@H+]1CCO[C@H](C(=O)OCc2c(C(=O)OC)sc(N)c2C(=O)[O-])C1 ZINC001605484961 1287979611 /nfs/dbraw/zinc/97/96/11/1287979611.db2.gz CJURDTAOWXTEJL-VIFPVBQESA-N 0 2 372.399 0.579 20 0 FCADLN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@@H+]2C[C@H](C)O[C@H](C(=O)[O-])C2)C1 ZINC001605524942 1287990125 /nfs/dbraw/zinc/99/01/25/1287990125.db2.gz UJSIEIGTEZQIIY-DGAVXFQQSA-N 0 2 356.419 0.351 20 0 FCADLN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@H+]2C[C@H](C)O[C@H](C(=O)[O-])C2)C1 ZINC001605524942 1287990126 /nfs/dbraw/zinc/99/01/26/1287990126.db2.gz UJSIEIGTEZQIIY-DGAVXFQQSA-N 0 2 356.419 0.351 20 0 FCADLN Cc1ccc2[nH]c(CNC(=O)NCCn3cnc(-c4nn[nH]n4)n3)nc2c1 ZINC001609428824 1289147032 /nfs/dbraw/zinc/14/70/32/1289147032.db2.gz ZHFSOWAQGJXXCI-UHFFFAOYSA-N 0 2 367.377 0.142 20 0 FCADLN Cc1ccc2nc(CNC(=O)NCCn3cnc(-c4nn[nH]n4)n3)[nH]c2c1 ZINC001609428824 1289147038 /nfs/dbraw/zinc/14/70/38/1289147038.db2.gz ZHFSOWAQGJXXCI-UHFFFAOYSA-N 0 2 367.377 0.142 20 0 FCADLN O=C(CCc1ccncc1)N[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@@H]1O ZINC001719287068 1288034486 /nfs/dbraw/zinc/03/44/86/1288034486.db2.gz IPUNVBDDHXXXAN-NTZNESFSSA-N 0 2 363.311 0.603 20 0 FCADLN O=C(CCc1ccncc1)N[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@@H]1O ZINC001719287068 1288034493 /nfs/dbraw/zinc/03/44/93/1288034493.db2.gz IPUNVBDDHXXXAN-NTZNESFSSA-N 0 2 363.311 0.603 20 0 FCADLN Cc1ccc([C@@H](C)C(=O)N2CC(n3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)C2)o1 ZINC001605838134 1288097154 /nfs/dbraw/zinc/09/71/54/1288097154.db2.gz BYZASEOLKURCHN-SECBINFHSA-N 0 2 371.357 0.217 20 0 FCADLN CCc1oc(C[N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)cc1C(=O)[O-] ZINC001605890293 1288101347 /nfs/dbraw/zinc/10/13/47/1288101347.db2.gz LNDGAGKWHPKCMV-UHFFFAOYSA-N 0 2 359.448 0.854 20 0 FCADLN CCc1oc(C[N@H+]2CCCN(S(=O)(=O)N(C)C)CC2)cc1C(=O)[O-] ZINC001605890293 1288101350 /nfs/dbraw/zinc/10/13/50/1288101350.db2.gz LNDGAGKWHPKCMV-UHFFFAOYSA-N 0 2 359.448 0.854 20 0 FCADLN Cc1ccccc1OCCCNc1[nH]c(=O)n(C)c(=O)c1-c1nn[nH]n1 ZINC001605942985 1288106398 /nfs/dbraw/zinc/10/63/98/1288106398.db2.gz QXALIESRFVUGCW-UHFFFAOYSA-N 0 2 357.374 0.855 20 0 FCADLN Cc1ccn(CN2CC[C@@H](CN3CCCC3=O)C2)c(=O)c1-c1nn[nH]n1 ZINC001605949994 1288110267 /nfs/dbraw/zinc/11/02/67/1288110267.db2.gz VTADDGUHKHQVGL-CYBMUJFWSA-N 0 2 357.418 0.239 20 0 FCADLN Cc1ccn(CN2C[C@]3(CCOC3)OC(C)(C)C2)c(=O)c1-c1nn[nH]n1 ZINC001605949588 1288110457 /nfs/dbraw/zinc/11/04/57/1288110457.db2.gz SGIZCFWTZCFNFT-KRWDZBQOSA-N 0 2 360.418 0.564 20 0 FCADLN Cc1nccn1CC(=O)N[C@@H](C)CCCNc1cncc(-c2nn[nH]n2)n1 ZINC001606097342 1288162013 /nfs/dbraw/zinc/16/20/13/1288162013.db2.gz VNUUUNIWSZDYQU-NSHDSACASA-N 0 2 370.421 0.559 20 0 FCADLN Cn1c(=O)[nH]c(N2CCC[C@@H]2Cc2ccccc2)c(-c2nn[nH]n2)c1=O ZINC001606202507 1288209464 /nfs/dbraw/zinc/20/94/64/1288209464.db2.gz PCTBCISDVMAKLF-GFCCVEGCSA-N 0 2 353.386 0.465 20 0 FCADLN Cn1c(=O)[nH]c(NC[C@@H](CCO)c2ccccc2)c(-c2nn[nH]n2)c1=O ZINC001606206086 1288210115 /nfs/dbraw/zinc/21/01/15/1288210115.db2.gz QMFVUUJSBGKGQY-LLVKDONJSA-N 0 2 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C[C@H](c1cccc(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)c1)[NH+]1CCOCC1 ZINC001116513236 1221368246 /nfs/dbraw/zinc/36/82/46/1221368246.db2.gz FUNVZQRIHZZYMK-LLVKDONJSA-N 0 2 374.401 0.158 20 0 FCADLN CN(Cc1nncn1C)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC001117395729 1221539692 /nfs/dbraw/zinc/53/96/92/1221539692.db2.gz AXQDLRRVPSXFAF-UHFFFAOYSA-N 0 2 356.390 0.854 20 0 FCADLN O=c1c(-c2nnc(N3CCCOCC3)n2CC2CC2)cnc2cc[nH]n21 ZINC001123439019 1222332269 /nfs/dbraw/zinc/33/22/69/1222332269.db2.gz NNGZKKDGLRXWOO-UHFFFAOYSA-N 0 2 355.402 0.918 20 0 FCADLN Cc1ncc(CO)c(C[N@H+]2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1O ZINC001140866317 1222618817 /nfs/dbraw/zinc/61/88/17/1222618817.db2.gz KTGWZCYJLTWYNM-CVEARBPZSA-N 0 2 371.441 0.715 20 0 FCADLN Cc1ccc(C[C@@H](CO)NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)cc1C ZINC000837262077 1222642602 /nfs/dbraw/zinc/64/26/02/1222642602.db2.gz WEQLPRWTMNIBGE-AWEZNQCLSA-N 0 2 355.398 0.408 20 0 FCADLN C[C@H]1NC(=O)N(CCOC(=O)c2nn(-c3ccccc3F)cc2O)C1=O ZINC000837707295 1222655466 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371.353 0.483 20 0 FCADLN Cc1ccn(-c2ccc(C(=O)NCc3nnc(CS(C)(=O)=O)[nH]3)cc2)n1 ZINC001157026930 1223066334 /nfs/dbraw/zinc/06/63/34/1223066334.db2.gz DRBZDHIBHSDTDT-UHFFFAOYSA-N 0 2 374.426 0.773 20 0 FCADLN O=C(NCc1n[nH]c(=O)[nH]1)c1cnn2c1C(=O)N(Cc1cccs1)CC2 ZINC001157015304 1223066507 /nfs/dbraw/zinc/06/65/07/1223066507.db2.gz JHSXYMFCJQBTLW-UHFFFAOYSA-N 0 2 373.398 0.354 20 0 FCADLN Cc1cnccc1C(=O)Nc1cccc(S(=O)(=O)Nc2nnn(C)n2)c1 ZINC001157163913 1223069226 /nfs/dbraw/zinc/06/92/26/1223069226.db2.gz OSWNNRIXFHVSCR-UHFFFAOYSA-N 0 2 373.398 0.967 20 0 FCADLN C[C@@H](NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)c1nn(C)cc1O ZINC001158308880 1223094505 /nfs/dbraw/zinc/09/45/05/1223094505.db2.gz YWOCFAPOHIWULA-GFCCVEGCSA-N 0 2 367.450 0.856 20 0 FCADLN O=C(NN1CCc2ccccc2C1)c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1 ZINC001165595458 1223250062 /nfs/dbraw/zinc/25/00/62/1223250062.db2.gz RRBFFQPJWKOQBB-UHFFFAOYSA-N 0 2 351.366 0.969 20 0 FCADLN C[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)CCc1nc[nH]n1 ZINC001206855838 1223373359 /nfs/dbraw/zinc/37/33/59/1223373359.db2.gz DEUFDDGEBLSXRR-YUELXQCFSA-N 0 2 360.462 0.327 20 0 FCADLN C[C@@H]1C[N@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)CCc1nc[nH]n1 ZINC001206855720 1223373614 /nfs/dbraw/zinc/37/36/14/1223373614.db2.gz AEMXNRIINWERKX-MGPQQGTHSA-N 0 2 362.478 0.573 20 0 FCADLN CCCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001208708517 1223572058 /nfs/dbraw/zinc/57/20/58/1223572058.db2.gz YIHWBXINVAJRGO-KFWWJZLASA-N 0 2 369.510 0.389 20 0 FCADLN CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209142915 1223600749 /nfs/dbraw/zinc/60/07/49/1223600749.db2.gz YDEIWZKBYFBITI-KFWWJZLASA-N 0 2 367.494 0.141 20 0 FCADLN CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)NCc2cccnc2)C[C@H]1C ZINC001209626220 1223635195 /nfs/dbraw/zinc/63/51/95/1223635195.db2.gz PFOWCSUQTPVSIG-NVXWUHKLSA-N 0 2 361.490 0.476 20 0 FCADLN C[C@@H](NC(=O)CC(C)(C)C)C(=O)N[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001210219303 1223676425 /nfs/dbraw/zinc/67/64/25/1223676425.db2.gz NJLNMWLNWMDGRA-IJLUTSLNSA-N 0 2 366.466 0.388 20 0 FCADLN C[C@@H](NC(=O)CC(C)(C)C)C(=O)N[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001210219303 1223676426 /nfs/dbraw/zinc/67/64/26/1223676426.db2.gz NJLNMWLNWMDGRA-IJLUTSLNSA-N 0 2 366.466 0.388 20 0 FCADLN CO[C@H](C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](OC)C1)C1CCC1 ZINC001213802192 1223852116 /nfs/dbraw/zinc/85/21/16/1223852116.db2.gz NNKOKVAVOOQJMY-KZNAEPCWSA-N 0 2 364.490 0.983 20 0 FCADLN C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C)C(=O)NC(N)=O ZINC001214967164 1223960202 /nfs/dbraw/zinc/96/02/02/1223960202.db2.gz QWSKDPIZHUEMRF-GPCCPHFNSA-N 0 2 358.402 0.196 20 0 FCADLN CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCC)C1 ZINC001215226484 1223983908 /nfs/dbraw/zinc/98/39/08/1223983908.db2.gz KNLOZFZRNPAWQG-BRWVUGGUSA-N 0 2 368.522 0.450 20 0 FCADLN Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)on1 ZINC001217009521 1224084579 /nfs/dbraw/zinc/08/45/79/1224084579.db2.gz AGGTUBUCOXLOMM-KWCYVHTRSA-N 0 2 360.418 0.643 20 0 FCADLN C[C@@H]1[C@@H](NC(=O)c2ccoc2)CCN1C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000987338577 1249006864 /nfs/dbraw/zinc/00/68/64/1249006864.db2.gz YLBARAJDQLNVLG-MFKMUULPSA-N 0 2 370.369 0.084 20 0 FCADLN C=CC(=O)N1CCC(C(=O)NCc2n[nH]c(=O)[nH]2)(c2ccccc2)CC1 ZINC000847544043 1245344128 /nfs/dbraw/zinc/34/41/28/1245344128.db2.gz GGHPFWPDMJQXOS-UHFFFAOYSA-N 0 2 355.398 0.873 20 0 FCADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)CCN1C(=O)CCNC1=S ZINC000848029942 1245355018 /nfs/dbraw/zinc/35/50/18/1245355018.db2.gz MQHYOGIKMSZWQS-UHFFFAOYSA-N 0 2 374.426 0.921 20 0 FCADLN CO[C@@H]1CN(C(=O)C[C@H]2CCCCO2)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC000944222313 1247502328 /nfs/dbraw/zinc/50/23/28/1247502328.db2.gz JPDUOZFZELDCRD-FVQBIDKESA-N 0 2 364.446 0.562 20 0 FCADLN CO[C@@H]1CN(C(=O)c2n[nH]c(C)c2C)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC000944222049 1247502993 /nfs/dbraw/zinc/50/29/93/1247502993.db2.gz DJTRTSLROXMMPI-ZIAGYGMSSA-N 0 2 360.418 0.256 20 0 FCADLN CO[C@@H]1CN(C(=O)C=Cc2ccco2)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC000944221981 1247503134 /nfs/dbraw/zinc/50/31/34/1247503134.db2.gz BWNJLHPNPPSHRL-ILNYKDOHSA-N 0 2 358.398 0.909 20 0 FCADLN CO[C@@H]1CN(C(=O)c2cncnc2C)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC000944222343 1247503466 /nfs/dbraw/zinc/50/34/66/1247503466.db2.gz KQSXKXPNZSLOKT-HUUCEWRRSA-N 0 2 358.402 0.015 20 0 FCADLN CCn1c(C)nnc1C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000998985900 1252016301 /nfs/dbraw/zinc/01/63/01/1252016301.db2.gz FGHILMLUTTVCAZ-TWRYWWQQSA-N 0 2 364.494 0.405 20 0 FCADLN Cc1[nH]nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCc2cnn[nH]2)c1C ZINC001001736072 1252327039 /nfs/dbraw/zinc/32/70/39/1252327039.db2.gz SCFHALQUAVDRSV-MCIONIFRSA-N 0 2 357.418 0.639 20 0 FCADLN Nc1nc2nc(C[N@@H+]3CCCN(C(=O)c4ccccc4)CC3)cc(=O)n2[n-]1 ZINC001328894711 1265643041 /nfs/dbraw/zinc/64/30/41/1265643041.db2.gz BTTKAXARPWVISO-UHFFFAOYSA-N 0 2 367.413 0.348 20 0 FCADLN Nc1nc2nc(C[N@H+]3CCCN(C(=O)c4ccccc4)CC3)cc(=O)n2[n-]1 ZINC001328894711 1265643047 /nfs/dbraw/zinc/64/30/47/1265643047.db2.gz BTTKAXARPWVISO-UHFFFAOYSA-N 0 2 367.413 0.348 20 0 FCADLN Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2[nH]c[nH+]c2C)c1[O-] ZINC001002052201 1252423467 /nfs/dbraw/zinc/42/34/67/1252423467.db2.gz IDZCRWSMIIYWPC-RTXFEEFZSA-N 0 2 358.402 0.560 20 0 FCADLN CCn1[nH]cc(-c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CC2CC2)c1=O ZINC001518244928 1265655117 /nfs/dbraw/zinc/65/51/17/1265655117.db2.gz WFLAPPSOXGLVTD-NSHDSACASA-N 0 2 359.434 0.944 20 0 FCADLN COc1ccc([C@@]2(C)NC(=O)N(NC(=O)c3c(C)onc3CO)C2=O)cc1 ZINC001328966151 1265665057 /nfs/dbraw/zinc/66/50/57/1265665057.db2.gz VWGJLMDNKVCGHY-QGZVFWFLSA-N 0 2 374.353 0.596 20 0 FCADLN CN(C(=O)[C@@H]1C[C@H]1c1ccnn1C)C1CC[NH+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001005772771 1253627950 /nfs/dbraw/zinc/62/79/50/1253627950.db2.gz LRJQKOSLEJWANA-CHWSQXEVSA-N 0 2 359.434 0.470 20 0 FCADLN Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cc(=O)n3nc(N)[nH]c3n2)[nH+]1 ZINC001329483881 1265765774 /nfs/dbraw/zinc/76/57/74/1265765774.db2.gz XVJIATLVUOSFDI-CYBMUJFWSA-N 0 2 354.418 0.780 20 0 FCADLN O=C(NCC1CN(Cc2n[nH]c(=O)[nH]2)C1)[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001031676105 1253880628 /nfs/dbraw/zinc/88/06/28/1253880628.db2.gz FRWFBGQAZIOQGA-CABCVRRESA-N 0 2 357.414 0.979 20 0 FCADLN O=C(N1C[C@@H]2C[C@H]1CN2Cc1cc(=O)n2[nH]ccc2n1)[C@]12C[C@H]1CCC2 ZINC001032530719 1253925941 /nfs/dbraw/zinc/92/59/41/1253925941.db2.gz SYVAFFDACJXBKI-CTYUOQFJSA-N 0 2 353.426 0.998 20 0 FCADLN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C[N@@H+]1C1CC1 ZINC001329645418 1265798113 /nfs/dbraw/zinc/79/81/13/1265798113.db2.gz SLEQEHVVZLCDDP-BZUAXINKSA-N 0 2 373.501 0.943 20 0 FCADLN O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[nH]2)CCO1)[C@@H]1C[C@H]1c1ccncc1 ZINC001035373941 1254029544 /nfs/dbraw/zinc/02/95/44/1254029544.db2.gz ZMWHYOQQSIQLPE-MELADBBJSA-N 0 2 358.402 0.026 20 0 FCADLN Cc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[nH]2)CCO1 ZINC001035547513 1254056658 /nfs/dbraw/zinc/05/66/58/1254056658.db2.gz QVQMERFGHDTQFN-CWRNSKLLSA-N 0 2 371.441 0.939 20 0 FCADLN Cc1cccc2[nH]cc(CC(=O)N[C@@H]3CN(Cc4n[nH]c(=O)[nH]4)C[C@H]3O)c21 ZINC001078022625 1255179812 /nfs/dbraw/zinc/17/98/12/1255179812.db2.gz QBIJUNBXNMSLLJ-ZIAGYGMSSA-N 0 2 370.413 0.204 20 0 FCADLN O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O)c1ccc2c(c1)CCCC2 ZINC001078127718 1255249123 /nfs/dbraw/zinc/24/91/23/1255249123.db2.gz ARGWIYKZSCGEIU-HUUCEWRRSA-N 0 2 357.414 0.364 20 0 FCADLN CCn1c(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[nH]3)C[C@H]2O)cc2ccccc21 ZINC001078225384 1255337447 /nfs/dbraw/zinc/33/74/47/1255337447.db2.gz HLKIIWYELVWMMI-IUODEOHRSA-N 0 2 370.413 0.460 20 0 FCADLN Cc1ccc2[nH]cc(C(=O)N[C@@H]3CN(Cc4n[nH]c(=O)[nH]4)C[C@H]3O)c2c1 ZINC001078238637 1255351859 /nfs/dbraw/zinc/35/18/59/1255351859.db2.gz JJWLEGKMTIWZPK-ZIAGYGMSSA-N 0 2 356.386 0.275 20 0 FCADLN C[C@]1(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[nH]3)C[C@H]2O)CCc2ccccc21 ZINC001078259254 1255368328 /nfs/dbraw/zinc/36/83/28/1255368328.db2.gz BGTAOXPOIMUWNB-LBTNJELSSA-N 0 2 357.414 0.076 20 0 FCADLN COc1cccc2c(C(=O)N[C@@H]3C[N@H+](Cc4n[nH]c(=O)[n-]4)C[C@H]3C)cnn21 ZINC001079794871 1255606368 /nfs/dbraw/zinc/60/63/68/1255606368.db2.gz VWCYVIOASSRDLL-ZYHUDNBSSA-N 0 2 371.401 0.417 20 0 FCADLN COc1cccc2c(C(=O)N[C@@H]3C[N@@H+](Cc4n[nH]c(=O)[n-]4)C[C@H]3C)cnn21 ZINC001079794871 1255606377 /nfs/dbraw/zinc/60/63/77/1255606377.db2.gz VWCYVIOASSRDLL-ZYHUDNBSSA-N 0 2 371.401 0.417 20 0 FCADLN C[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC001079800047 1255611314 /nfs/dbraw/zinc/61/13/14/1255611314.db2.gz LEZPZKULONFSEN-IJLUTSLNSA-N 0 2 364.450 0.094 20 0 FCADLN C[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC001079800047 1255611319 /nfs/dbraw/zinc/61/13/19/1255611319.db2.gz LEZPZKULONFSEN-IJLUTSLNSA-N 0 2 364.450 0.094 20 0 FCADLN C[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccc(-n2cccn2)cc1 ZINC001079851677 1255632001 /nfs/dbraw/zinc/63/20/01/1255632001.db2.gz HINDGWFAWOPWPM-IUODEOHRSA-N 0 2 367.413 0.946 20 0 FCADLN C[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccc(-n2cccn2)cc1 ZINC001079851677 1255632006 /nfs/dbraw/zinc/63/20/06/1255632006.db2.gz HINDGWFAWOPWPM-IUODEOHRSA-N 0 2 367.413 0.946 20 0 FCADLN C[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC001079872591 1255644540 /nfs/dbraw/zinc/64/45/40/1255644540.db2.gz UZGXINJNBKOZGA-LDYMZIIASA-N 0 2 357.374 0.343 20 0 FCADLN C[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC001079872591 1255644545 /nfs/dbraw/zinc/64/45/45/1255644545.db2.gz UZGXINJNBKOZGA-LDYMZIIASA-N 0 2 357.374 0.343 20 0 FCADLN CCc1noc(CC)c1CC(=O)N[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001079870217 1255645548 /nfs/dbraw/zinc/64/55/48/1255645548.db2.gz YIKBZLMLSAQLGK-ZWNOBZJWSA-N 0 2 362.434 0.802 20 0 FCADLN CCc1noc(CC)c1CC(=O)N[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001079870217 1255645552 /nfs/dbraw/zinc/64/55/52/1255645552.db2.gz YIKBZLMLSAQLGK-ZWNOBZJWSA-N 0 2 362.434 0.802 20 0 FCADLN C[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001079899269 1255658525 /nfs/dbraw/zinc/65/85/25/1255658525.db2.gz UOLMRINPAUYVDJ-LDYMZIIASA-N 0 2 358.358 0.607 20 0 FCADLN C[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001079899269 1255658533 /nfs/dbraw/zinc/65/85/33/1255658533.db2.gz UOLMRINPAUYVDJ-LDYMZIIASA-N 0 2 358.358 0.607 20 0 FCADLN C[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@@H]1COc2ccccc2C1 ZINC001080082940 1255736669 /nfs/dbraw/zinc/73/66/69/1255736669.db2.gz NRYYTZYFGHVSDG-KWCYVHTRSA-N 0 2 357.414 0.698 20 0 FCADLN C[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@@H]1COc2ccccc2C1 ZINC001080082940 1255736678 /nfs/dbraw/zinc/73/66/78/1255736678.db2.gz NRYYTZYFGHVSDG-KWCYVHTRSA-N 0 2 357.414 0.698 20 0 FCADLN Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]2C)c2nccn2c1 ZINC001080185862 1255776634 /nfs/dbraw/zinc/77/66/34/1255776634.db2.gz PHBMZJLVHKWUNE-DGCLKSJQSA-N 0 2 355.402 0.717 20 0 FCADLN Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]2C)c2nccn2c1 ZINC001080185862 1255776639 /nfs/dbraw/zinc/77/66/39/1255776639.db2.gz PHBMZJLVHKWUNE-DGCLKSJQSA-N 0 2 355.402 0.717 20 0 FCADLN C[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccc(-n2cccn2)nc1 ZINC001080232317 1255791654 /nfs/dbraw/zinc/79/16/54/1255791654.db2.gz PFICQEHZKBMCDT-DGCLKSJQSA-N 0 2 368.401 0.341 20 0 FCADLN C[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccc(-n2cccn2)nc1 ZINC001080232317 1255791666 /nfs/dbraw/zinc/79/16/66/1255791666.db2.gz PFICQEHZKBMCDT-DGCLKSJQSA-N 0 2 368.401 0.341 20 0 FCADLN CCn1ccnc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001080575318 1255938808 /nfs/dbraw/zinc/93/88/08/1255938808.db2.gz PKTLGSGRICHXJU-TZMCWYRMSA-N 0 2 369.429 0.489 20 0 FCADLN CCn1ccnc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001080575318 1255938812 /nfs/dbraw/zinc/93/88/12/1255938812.db2.gz PKTLGSGRICHXJU-TZMCWYRMSA-N 0 2 369.429 0.489 20 0 FCADLN C[C@H](c1ncccn1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001080576236 1255941159 /nfs/dbraw/zinc/94/11/59/1255941159.db2.gz CGZKKKFMZZZNFD-YRGRVCCFSA-N 0 2 367.413 0.624 20 0 FCADLN C[C@H](c1ncccn1)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001080576236 1255941170 /nfs/dbraw/zinc/94/11/70/1255941170.db2.gz CGZKKKFMZZZNFD-YRGRVCCFSA-N 0 2 367.413 0.624 20 0 FCADLN Cc1nc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)c3c[n-]n4c3nccc4=O)C2)c(C)o1 ZINC001080576472 1255941332 /nfs/dbraw/zinc/94/13/32/1255941332.db2.gz PEHTWSXPMRDHGF-QMTHXVAHSA-N 0 2 370.413 0.878 20 0 FCADLN Cc1nc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3c[n-]n4c3nccc4=O)C2)c(C)o1 ZINC001080576472 1255941344 /nfs/dbraw/zinc/94/13/44/1255941344.db2.gz PEHTWSXPMRDHGF-QMTHXVAHSA-N 0 2 370.413 0.878 20 0 FCADLN 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