smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H]1C[N@H+](CC(=O)c2c[nH]c3ccc(C(=O)OC)cc32)CCS1 ZINC000161327042 529386345 /nfs/dbraw/zinc/38/63/45/529386345.db2.gz GEIXFRNNSPBSGA-CYBMUJFWSA-N 1 2 346.452 2.965 20 70 EFIDLO CC[C@@H]1C[N@@H+](CC(=O)c2c[nH]c3ccc(C(=O)OC)cc32)CCS1 ZINC000161327042 529386347 /nfs/dbraw/zinc/38/63/47/529386347.db2.gz GEIXFRNNSPBSGA-CYBMUJFWSA-N 1 2 346.452 2.965 20 70 EFIDLO COc1ccc(C[NH+]2CCN(C(=O)Cc3ccsc3)CC2)cc1F ZINC000216648505 241200870 /nfs/dbraw/zinc/20/08/70/241200870.db2.gz OPUOUTLZJLCAKM-UHFFFAOYSA-N 1 2 348.443 2.783 20 70 EFIDLO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000159400851 206244154 /nfs/dbraw/zinc/24/41/54/206244154.db2.gz VXZWHHZXUAYZND-GJZGRUSLSA-N 1 2 340.423 2.557 20 70 EFIDLO C[C@H](O)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000159400851 206244155 /nfs/dbraw/zinc/24/41/55/206244155.db2.gz VXZWHHZXUAYZND-GJZGRUSLSA-N 1 2 340.423 2.557 20 70 EFIDLO CC[N@H+](CCC(=O)c1ccc(C)cc1)[C@H](C)CS(=O)(=O)CC ZINC000159667682 206257066 /nfs/dbraw/zinc/25/70/66/206257066.db2.gz MGTVESOPFSTMNE-OAHLLOKOSA-N 1 2 325.474 2.713 20 70 EFIDLO CC[N@@H+](CCC(=O)c1ccc(C)cc1)[C@H](C)CS(=O)(=O)CC ZINC000159667682 206257070 /nfs/dbraw/zinc/25/70/70/206257070.db2.gz MGTVESOPFSTMNE-OAHLLOKOSA-N 1 2 325.474 2.713 20 70 EFIDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@H]1CCC(=O)C[C@H]1C ZINC000159551640 206251211 /nfs/dbraw/zinc/25/12/11/206251211.db2.gz CXVDMRUYTOZPEC-CJNGLKHVSA-N 1 2 327.428 2.856 20 70 EFIDLO CCCOC(=O)[C@H](C)[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000159567939 206252231 /nfs/dbraw/zinc/25/22/31/206252231.db2.gz JYYXNFLXMWVGRP-AWEZNQCLSA-N 1 2 333.432 2.614 20 70 EFIDLO O=C1[C@@H](SCC[NH+]2CCOCC2)CCN1c1ccccc1Cl ZINC000159807450 206263983 /nfs/dbraw/zinc/26/39/83/206263983.db2.gz QNAOMOVMMZBGTP-HNNXBMFYSA-N 1 2 340.876 2.511 20 70 EFIDLO CCc1c(NC(=O)[C@H](C)[NH3+])[nH]nc1-c1ccc(Br)cc1 ZINC000159784334 206264399 /nfs/dbraw/zinc/26/43/99/206264399.db2.gz UFBORECPVMBOKT-QMMMGPOBSA-N 1 2 337.221 2.687 20 70 EFIDLO CC(C)[C@H](SCC[NH+]1CCOCC1)C(=O)N1CCc2ccccc21 ZINC000159822354 206265080 /nfs/dbraw/zinc/26/50/80/206265080.db2.gz FWSMDTJPZHFKPE-SFHVURJKSA-N 1 2 348.512 2.666 20 70 EFIDLO COc1ccc(C)cc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159943352 206271077 /nfs/dbraw/zinc/27/10/77/206271077.db2.gz UNWUDXHWVZGEKX-CQSZACIVSA-N 1 2 326.400 2.799 20 70 EFIDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)Nc1cccc(Cl)c1 ZINC000160041846 206276429 /nfs/dbraw/zinc/27/64/29/206276429.db2.gz ODVFIJBAOWQCFB-LBPRGKRZSA-N 1 2 328.865 2.732 20 70 EFIDLO CCN(CC)C(=O)[C@@H](SCC[NH+]1CCOCC1)c1ccccc1 ZINC000160013332 206275365 /nfs/dbraw/zinc/27/53/65/206275365.db2.gz QOBNHXWQKBDQRI-KRWDZBQOSA-N 1 2 336.501 2.662 20 70 EFIDLO CCC[C@H]1CN(C(=O)NCc2ccc(N(CC)CC)[nH+]c2)CCO1 ZINC000160163478 206282381 /nfs/dbraw/zinc/28/23/81/206282381.db2.gz OZHHCWAOXFRSSP-INIZCTEOSA-N 1 2 334.464 2.638 20 70 EFIDLO CCCOC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000160205534 206284606 /nfs/dbraw/zinc/28/46/06/206284606.db2.gz LIROGGBOQAYWKT-HNNXBMFYSA-N 1 2 334.416 2.535 20 70 EFIDLO CCCOC(=O)[C@H](C)[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000160205534 206284611 /nfs/dbraw/zinc/28/46/11/206284611.db2.gz LIROGGBOQAYWKT-HNNXBMFYSA-N 1 2 334.416 2.535 20 70 EFIDLO CN(Cc1cccc(OC(F)(F)F)c1)C(=O)NCCn1cc[nH+]c1 ZINC000160294785 206288837 /nfs/dbraw/zinc/28/88/37/206288837.db2.gz PPUOTSPFZBVMAK-UHFFFAOYSA-N 1 2 342.321 2.623 20 70 EFIDLO Cc1ccoc1C[NH+]1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000160346880 206291600 /nfs/dbraw/zinc/29/16/00/206291600.db2.gz ZJHNLTHKABKBNQ-UHFFFAOYSA-N 1 2 337.423 2.956 20 70 EFIDLO CCc1ccccc1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160346253 206291234 /nfs/dbraw/zinc/29/12/34/206291234.db2.gz PXWSSBLVUMWQSZ-UHFFFAOYSA-N 1 2 338.455 2.671 20 70 EFIDLO CC(C)CC(C)(C)CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160619444 206306828 /nfs/dbraw/zinc/30/68/28/206306828.db2.gz DMLGGLBRBXVTAE-UHFFFAOYSA-N 1 2 332.492 2.981 20 70 EFIDLO C[C@H](C[C@H](O)c1ccccc1)NC(=O)NCCCNc1cccc[nH+]1 ZINC000160681102 206308438 /nfs/dbraw/zinc/30/84/38/206308438.db2.gz BYJVODFBVCQFGA-WBVHZDCISA-N 1 2 342.443 2.695 20 70 EFIDLO O=C(Nc1ccn(CC(F)(F)F)n1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000160910813 206318178 /nfs/dbraw/zinc/31/81/78/206318178.db2.gz KNKROVYHTXAVJW-JTQLQIEISA-N 1 2 342.325 2.928 20 70 EFIDLO CC1(C)C[N@@H+]([C@H](C(N)=O)c2cccc(Br)c2)CCS1 ZINC000160906957 206318935 /nfs/dbraw/zinc/31/89/35/206318935.db2.gz PUHACHGXQDOICQ-LBPRGKRZSA-N 1 2 343.290 2.803 20 70 EFIDLO CC1(C)C[N@H+]([C@H](C(N)=O)c2cccc(Br)c2)CCS1 ZINC000160906957 206318940 /nfs/dbraw/zinc/31/89/40/206318940.db2.gz PUHACHGXQDOICQ-LBPRGKRZSA-N 1 2 343.290 2.803 20 70 EFIDLO CC(C)Oc1ncccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160966226 206320472 /nfs/dbraw/zinc/32/04/72/206320472.db2.gz VAOHLTMWLAZMFN-CQSZACIVSA-N 1 2 341.415 2.664 20 70 EFIDLO COc1ccc(OC)c(CN2CC[NH+](Cc3scnc3C)CC2)c1 ZINC000161046276 206325723 /nfs/dbraw/zinc/32/57/23/206325723.db2.gz XDHADIOKDQPDCZ-UHFFFAOYSA-N 1 2 347.484 2.787 20 70 EFIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000161132705 206329880 /nfs/dbraw/zinc/32/98/80/206329880.db2.gz YGGLAECMZHPHCM-CQSZACIVSA-N 1 2 343.427 2.948 20 70 EFIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000161132705 206329883 /nfs/dbraw/zinc/32/98/83/206329883.db2.gz YGGLAECMZHPHCM-CQSZACIVSA-N 1 2 343.427 2.948 20 70 EFIDLO CCC[C@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC000160567639 206305348 /nfs/dbraw/zinc/30/53/48/206305348.db2.gz GSURYJITIJSGBR-HNNXBMFYSA-N 1 2 346.406 2.722 20 70 EFIDLO CC(C)(C)c1nnc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000161169882 206332193 /nfs/dbraw/zinc/33/21/93/206332193.db2.gz LABHODUGPABYRS-LLVKDONJSA-N 1 2 346.460 2.631 20 70 EFIDLO CC(=O)NC1CCC([NH2+]c2ccc(N3CCO[C@@H](C)C3)cc2)CC1 ZINC000161185744 206334738 /nfs/dbraw/zinc/33/47/38/206334738.db2.gz GBKFJFFICMDOBK-OOHWJJMZSA-N 1 2 331.460 2.771 20 70 EFIDLO CC(=O)NC1CCC([NH2+]c2ccc(N3CCO[C@H](C)C3)cc2)CC1 ZINC000161185647 206334968 /nfs/dbraw/zinc/33/49/68/206334968.db2.gz GBKFJFFICMDOBK-ODIFPOPNSA-N 1 2 331.460 2.771 20 70 EFIDLO COC(=O)CCN(Cc1ccncc1)c1cc(C)[nH+]c(C2CC2)n1 ZINC000161361499 206343213 /nfs/dbraw/zinc/34/32/13/206343213.db2.gz VNJQKVYETZWELY-UHFFFAOYSA-N 1 2 326.400 2.627 20 70 EFIDLO O=C(NCC1(C2CC2)CC1)Nc1ccccc1C[NH+]1CCOCC1 ZINC000161387409 206346888 /nfs/dbraw/zinc/34/68/88/206346888.db2.gz COKXPIRSVMJZCU-UHFFFAOYSA-N 1 2 329.444 2.831 20 70 EFIDLO CC1=C(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)CCCO1 ZINC000161394451 206346959 /nfs/dbraw/zinc/34/69/59/206346959.db2.gz CLCSMGDNGWNREF-INIZCTEOSA-N 1 2 329.375 2.849 20 70 EFIDLO O=C(NCCSCCCO)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000161471247 206349978 /nfs/dbraw/zinc/34/99/78/206349978.db2.gz FJUQHOLGNQWACQ-UHFFFAOYSA-N 1 2 332.425 2.719 20 70 EFIDLO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@H+](C)C[C@H](O)C1CC1 ZINC000160877806 544808451 /nfs/dbraw/zinc/80/84/51/544808451.db2.gz RAKPETVPGYLREY-NHYWBVRUSA-N 1 2 344.411 2.665 20 70 EFIDLO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)C1CC1 ZINC000160877806 544808456 /nfs/dbraw/zinc/80/84/56/544808456.db2.gz RAKPETVPGYLREY-NHYWBVRUSA-N 1 2 344.411 2.665 20 70 EFIDLO Cc1ccc(NC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)cn1 ZINC000161477645 544814814 /nfs/dbraw/zinc/81/48/14/544814814.db2.gz MCEKLMVXFOCZDE-GOSISDBHSA-N 1 2 340.427 2.585 20 70 EFIDLO C[C@H]1CC(=O)CC[C@H]1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000159825379 310691889 /nfs/dbraw/zinc/69/18/89/310691889.db2.gz HOOPMRKHAPSVJP-KBXCAEBGSA-N 1 2 325.412 2.553 20 70 EFIDLO CC(C)[C@H](SCC[NH+]1CCOCC1)C(=O)NC1CCCCC1 ZINC000159822745 310691979 /nfs/dbraw/zinc/69/19/79/310691979.db2.gz OCRSRAHKGZGXDQ-INIZCTEOSA-N 1 2 328.522 2.525 20 70 EFIDLO Cc1noc(Cl)c1CC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000159949534 310693043 /nfs/dbraw/zinc/69/30/43/310693043.db2.gz ZANFULUCIBZINH-UHFFFAOYSA-N 1 2 344.802 2.740 20 70 EFIDLO CC[C@H](C)OCC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000160290433 310697403 /nfs/dbraw/zinc/69/74/03/310697403.db2.gz LUNBUBYJXWQTOX-JTQLQIEISA-N 1 2 340.221 2.528 20 70 EFIDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@H]1CCO[C@@H](C3CC3)C1)C2 ZINC000160605165 310700984 /nfs/dbraw/zinc/70/09/84/310700984.db2.gz HKTIQWGTIVUMSQ-WMLDXEAASA-N 1 2 346.475 2.569 20 70 EFIDLO CC[N@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1)Cc1cnn(C)c1 ZINC000161087919 473205142 /nfs/dbraw/zinc/20/51/42/473205142.db2.gz RFJMUKPQMMTFIX-CYBMUJFWSA-N 1 2 334.851 2.773 20 70 EFIDLO CC[N@@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1)Cc1cnn(C)c1 ZINC000161087919 473205145 /nfs/dbraw/zinc/20/51/45/473205145.db2.gz RFJMUKPQMMTFIX-CYBMUJFWSA-N 1 2 334.851 2.773 20 70 EFIDLO CC[N@H+](CC(=O)N[C@H](C)c1ccccc1Cl)Cc1cnn(C)c1 ZINC000161088225 473205455 /nfs/dbraw/zinc/20/54/55/473205455.db2.gz YQYANDRJVUSPNR-CYBMUJFWSA-N 1 2 334.851 2.773 20 70 EFIDLO CC[N@@H+](CC(=O)N[C@H](C)c1ccccc1Cl)Cc1cnn(C)c1 ZINC000161088225 473205459 /nfs/dbraw/zinc/20/54/59/473205459.db2.gz YQYANDRJVUSPNR-CYBMUJFWSA-N 1 2 334.851 2.773 20 70 EFIDLO CC[N@H+](CC(=O)N[C@H](C)c1ccc(C)c(C)c1)Cc1cnn(C)c1 ZINC000161089310 473205642 /nfs/dbraw/zinc/20/56/42/473205642.db2.gz COOSTEYEJWXUCK-MRXNPFEDSA-N 1 2 328.460 2.736 20 70 EFIDLO CC[N@@H+](CC(=O)N[C@H](C)c1ccc(C)c(C)c1)Cc1cnn(C)c1 ZINC000161089310 473205645 /nfs/dbraw/zinc/20/56/45/473205645.db2.gz COOSTEYEJWXUCK-MRXNPFEDSA-N 1 2 328.460 2.736 20 70 EFIDLO CCOC(=O)c1c[nH+]c2ccccc2c1NCC(C)(C)C(=O)NC ZINC000161094939 473206062 /nfs/dbraw/zinc/20/60/62/473206062.db2.gz XEETYHFZVAYFEF-UHFFFAOYSA-N 1 2 329.400 2.596 20 70 EFIDLO CCC[N@H+](Cc1cnc(C2CCC2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000161114010 473207947 /nfs/dbraw/zinc/20/79/47/473207947.db2.gz PMMLHLROQXZPTJ-ZDUSSCGKSA-N 1 2 328.503 2.810 20 70 EFIDLO CCC[N@@H+](Cc1cnc(C2CCC2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000161114010 473207950 /nfs/dbraw/zinc/20/79/50/473207950.db2.gz PMMLHLROQXZPTJ-ZDUSSCGKSA-N 1 2 328.503 2.810 20 70 EFIDLO Cn1cc[nH+]c1CS(=O)(=O)Cc1csc(-c2cccs2)n1 ZINC000161201838 473217051 /nfs/dbraw/zinc/21/70/51/473217051.db2.gz AIGPNRMRZMYAME-UHFFFAOYSA-N 1 2 339.467 2.720 20 70 EFIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[NH+]3C[C@@H](C)S[C@H](C)C3)c2c1 ZINC000161287568 473223875 /nfs/dbraw/zinc/22/38/75/473223875.db2.gz SPNIHWAJXUQXEH-VXGBXAGGSA-N 1 2 346.452 2.963 20 70 EFIDLO O=C(CC1(O)CCCC1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161329380 473226853 /nfs/dbraw/zinc/22/68/53/473226853.db2.gz HUPZNQVFRUQQDI-UHFFFAOYSA-N 1 2 336.863 2.679 20 70 EFIDLO O=C1[C@@H]([N@@H+]2CCOC3(CCCC3)C2)CCCN1c1ccccc1F ZINC000161390669 473232047 /nfs/dbraw/zinc/23/20/47/473232047.db2.gz QGADCLQWTIWWIF-KRWDZBQOSA-N 1 2 332.419 2.966 20 70 EFIDLO O=C1[C@@H]([N@H+]2CCOC3(CCCC3)C2)CCCN1c1ccccc1F ZINC000161390669 473232052 /nfs/dbraw/zinc/23/20/52/473232052.db2.gz QGADCLQWTIWWIF-KRWDZBQOSA-N 1 2 332.419 2.966 20 70 EFIDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000161396657 473232614 /nfs/dbraw/zinc/23/26/14/473232614.db2.gz FPBJSKZEHSGTNM-CJNGLKHVSA-N 1 2 345.830 2.699 20 70 EFIDLO Cc1ccc(-c2n[nH]c(NC(=O)C[N@@H+](C)[C@H]3CCSC3)c2C)o1 ZINC000161469367 473238170 /nfs/dbraw/zinc/23/81/70/473238170.db2.gz VTYUIUNFXFIRQF-LBPRGKRZSA-N 1 2 334.445 2.662 20 70 EFIDLO Cc1ccc(-c2n[nH]c(NC(=O)C[N@H+](C)[C@H]3CCSC3)c2C)o1 ZINC000161469367 473238178 /nfs/dbraw/zinc/23/81/78/473238178.db2.gz VTYUIUNFXFIRQF-LBPRGKRZSA-N 1 2 334.445 2.662 20 70 EFIDLO CC(C)COc1ccc(CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161470254 473238249 /nfs/dbraw/zinc/23/82/49/473238249.db2.gz IWIPVNGUZIZCID-KRWDZBQOSA-N 1 2 341.455 2.839 20 70 EFIDLO O=C(Nc1nc(Cc2ccccc2)ns1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161486180 473238543 /nfs/dbraw/zinc/23/85/43/473238543.db2.gz GQBCCIOJEDYRLM-CYBMUJFWSA-N 1 2 339.424 2.527 20 70 EFIDLO COC(=O)C1([N@H+](C)CC(=O)NC2(c3ccccc3)CCC2)CCCC1 ZINC000159418289 473027584 /nfs/dbraw/zinc/02/75/84/473027584.db2.gz UDZSRFXITZEXHD-UHFFFAOYSA-N 1 2 344.455 2.600 20 70 EFIDLO COC(=O)C1([N@@H+](C)CC(=O)NC2(c3ccccc3)CCC2)CCCC1 ZINC000159418289 473027590 /nfs/dbraw/zinc/02/75/90/473027590.db2.gz UDZSRFXITZEXHD-UHFFFAOYSA-N 1 2 344.455 2.600 20 70 EFIDLO CC(C)[C@@H](C(=O)Nc1cccc2c[nH]nc21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000159430938 473028099 /nfs/dbraw/zinc/02/80/99/473028099.db2.gz OGVLPVCSTANIPK-AHIWAGSCSA-N 1 2 330.432 2.635 20 70 EFIDLO CC(C)[C@@H](C(=O)Nc1cccc2c[nH]nc21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000159430938 473028105 /nfs/dbraw/zinc/02/81/05/473028105.db2.gz OGVLPVCSTANIPK-AHIWAGSCSA-N 1 2 330.432 2.635 20 70 EFIDLO CC[C@@H](C)c1cc(C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)on1 ZINC000159479119 473030894 /nfs/dbraw/zinc/03/08/94/473030894.db2.gz QOOXZMBWFVFTMC-CABCVRRESA-N 1 2 337.464 2.665 20 70 EFIDLO COC(=O)c1occc1C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159561649 473038129 /nfs/dbraw/zinc/03/81/29/473038129.db2.gz HKWQKQUWVLYHJW-LJQANCHMSA-N 1 2 327.380 2.740 20 70 EFIDLO COC(=O)c1occc1C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159561649 473038133 /nfs/dbraw/zinc/03/81/33/473038133.db2.gz HKWQKQUWVLYHJW-LJQANCHMSA-N 1 2 327.380 2.740 20 70 EFIDLO O=C(C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1)N1CCc2ccccc21 ZINC000159614698 473043901 /nfs/dbraw/zinc/04/39/01/473043901.db2.gz VNRPFZLHQDVBGA-JOCHJYFZSA-N 1 2 348.446 2.750 20 70 EFIDLO O=C(C[N@H+]1CCO[C@]2(CCc3ccccc32)C1)N1CCc2ccccc21 ZINC000159614698 473043906 /nfs/dbraw/zinc/04/39/06/473043906.db2.gz VNRPFZLHQDVBGA-JOCHJYFZSA-N 1 2 348.446 2.750 20 70 EFIDLO CC(C)(C)CCNC(=O)C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159638907 473047517 /nfs/dbraw/zinc/04/75/17/473047517.db2.gz UOMNOSGPDJOWEX-FQEVSTJZSA-N 1 2 330.472 2.713 20 70 EFIDLO CC(C)(C)CCNC(=O)C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159638907 473047524 /nfs/dbraw/zinc/04/75/24/473047524.db2.gz UOMNOSGPDJOWEX-FQEVSTJZSA-N 1 2 330.472 2.713 20 70 EFIDLO CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159671542 473049602 /nfs/dbraw/zinc/04/96/02/473049602.db2.gz SWFRPHYOYODMCE-GHTZIAJQSA-N 1 2 342.483 2.951 20 70 EFIDLO CC[C@H]1CCCCN1C(=O)C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159671542 473049608 /nfs/dbraw/zinc/04/96/08/473049608.db2.gz SWFRPHYOYODMCE-GHTZIAJQSA-N 1 2 342.483 2.951 20 70 EFIDLO C[C@@H]1C[N@H+]([C@H](C(N)=O)c2cccc(Br)c2)C[C@H](C)S1 ZINC000159703157 473051980 /nfs/dbraw/zinc/05/19/80/473051980.db2.gz NDQHDEGCXVTAAT-CWSCBRNRSA-N 1 2 343.290 2.801 20 70 EFIDLO C[C@@H]1C[N@@H+]([C@H](C(N)=O)c2cccc(Br)c2)C[C@H](C)S1 ZINC000159703157 473051986 /nfs/dbraw/zinc/05/19/86/473051986.db2.gz NDQHDEGCXVTAAT-CWSCBRNRSA-N 1 2 343.290 2.801 20 70 EFIDLO O=C(Nc1cccc(N2CCCCC2=O)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159721738 473055454 /nfs/dbraw/zinc/05/54/54/473055454.db2.gz JDQQVZVJEUEWNH-CQSZACIVSA-N 1 2 338.411 2.601 20 70 EFIDLO Cc1ccc(NC(=O)[C@@H](C)SCC[NH+]2CCOCC2)c(F)c1 ZINC000159782535 473060811 /nfs/dbraw/zinc/06/08/11/473060811.db2.gz QONBQIXSFLAQAS-CYBMUJFWSA-N 1 2 326.437 2.527 20 70 EFIDLO C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@H]1C ZINC000159798252 473061831 /nfs/dbraw/zinc/06/18/31/473061831.db2.gz UPUQMJYZWMMWNO-ZHALLVOQSA-N 1 2 345.487 2.575 20 70 EFIDLO C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@H]1C ZINC000159798252 473061835 /nfs/dbraw/zinc/06/18/35/473061835.db2.gz UPUQMJYZWMMWNO-ZHALLVOQSA-N 1 2 345.487 2.575 20 70 EFIDLO O=C(NCCc1cn2c([nH+]1)CCCC2)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000160041390 473082475 /nfs/dbraw/zinc/08/24/75/473082475.db2.gz NSTCEBVUPVIRNE-CABCVRRESA-N 1 2 345.393 2.960 20 70 EFIDLO CC(C)c1nn(C)c(Cl)c1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000160041744 473082998 /nfs/dbraw/zinc/08/29/98/473082998.db2.gz GZIFRNJCISEKST-UHFFFAOYSA-N 1 2 349.866 2.702 20 70 EFIDLO CCOC(=O)C[C@H](C)NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000160256514 473102340 /nfs/dbraw/zinc/10/23/40/473102340.db2.gz XKDSSRDVONTCFM-ZDUSSCGKSA-N 1 2 328.368 2.945 20 70 EFIDLO COc1ccc(CCCN(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000160298865 473104911 /nfs/dbraw/zinc/10/49/11/473104911.db2.gz CEMCYLQQGZUJCJ-INIZCTEOSA-N 1 2 327.428 2.545 20 70 EFIDLO Cc1cc(Cl)ccc1C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000160282344 473104969 /nfs/dbraw/zinc/10/49/69/473104969.db2.gz HXBDIFVMEKBCGO-UHFFFAOYSA-N 1 2 336.823 2.758 20 70 EFIDLO CC[C@H]1CCC[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000160347326 473111642 /nfs/dbraw/zinc/11/16/42/473111642.db2.gz WMTBBLDFRLYYPB-IRXDYDNUSA-N 1 2 330.476 2.878 20 70 EFIDLO O=C(Nc1ccn(-c2ccccc2)n1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160350612 473112072 /nfs/dbraw/zinc/11/20/72/473112072.db2.gz ZABHXTTTYUMJKJ-HNNXBMFYSA-N 1 2 348.410 2.668 20 70 EFIDLO CC[C@H](C)NC(=O)c1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000160367740 473112638 /nfs/dbraw/zinc/11/26/38/473112638.db2.gz ZRKWAXHMPMASLS-ZFWWWQNUSA-N 1 2 340.427 2.613 20 70 EFIDLO c1ccc(-c2nsc(N3CCC[C@@H]3C[NH+]3CCOCC3)n2)cc1 ZINC000160393793 473117278 /nfs/dbraw/zinc/11/72/78/473117278.db2.gz TXASBABQBNMDGM-OAHLLOKOSA-N 1 2 330.457 2.506 20 70 EFIDLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000160456348 473127564 /nfs/dbraw/zinc/12/75/64/473127564.db2.gz AJSLIGBZLDZYNM-INIZCTEOSA-N 1 2 327.432 2.516 20 70 EFIDLO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000160456348 473127572 /nfs/dbraw/zinc/12/75/72/473127572.db2.gz AJSLIGBZLDZYNM-INIZCTEOSA-N 1 2 327.432 2.516 20 70 EFIDLO COc1cc(Cl)c(C(=O)N(C)CCCn2cc[nH+]c2)cc1OC ZINC000160483634 473131624 /nfs/dbraw/zinc/13/16/24/473131624.db2.gz MXUPAEWLLRCURC-UHFFFAOYSA-N 1 2 337.807 2.716 20 70 EFIDLO COCc1cccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000160645640 473156425 /nfs/dbraw/zinc/15/64/25/473156425.db2.gz JCRIHYKXVPVGRJ-MRXNPFEDSA-N 1 2 326.400 2.628 20 70 EFIDLO CC(C)(C)c1nc(CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)cs1 ZINC000160732976 473167023 /nfs/dbraw/zinc/16/70/23/473167023.db2.gz LNPLUMLXKORMPO-LBPRGKRZSA-N 1 2 332.473 2.558 20 70 EFIDLO O=C(Nc1cc(C(F)(F)F)ccc1O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160739186 473168321 /nfs/dbraw/zinc/16/83/21/473168321.db2.gz QLZGEHXNDHMGKQ-VIFPVBQESA-N 1 2 325.290 2.809 20 70 EFIDLO CCCn1c(C)nnc1C[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000160916441 473190585 /nfs/dbraw/zinc/19/05/85/473190585.db2.gz HKIFCFGIUHHUQP-SFHVURJKSA-N 1 2 328.460 2.830 20 70 EFIDLO CCCn1c(C)nnc1C[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000160916441 473190583 /nfs/dbraw/zinc/19/05/83/473190583.db2.gz HKIFCFGIUHHUQP-SFHVURJKSA-N 1 2 328.460 2.830 20 70 EFIDLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1ccc(CO)o1 ZINC000160942512 473193497 /nfs/dbraw/zinc/19/34/97/473193497.db2.gz WIKBLEOEBKMSHW-UHFFFAOYSA-N 1 2 338.791 2.504 20 70 EFIDLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1ccc(CO)o1 ZINC000160942512 473193499 /nfs/dbraw/zinc/19/34/99/473193499.db2.gz WIKBLEOEBKMSHW-UHFFFAOYSA-N 1 2 338.791 2.504 20 70 EFIDLO Cc1[nH+]c2ccccn2c1CN1CCN([C@H](C)C(F)(F)F)CC1 ZINC000160963737 473194941 /nfs/dbraw/zinc/19/49/41/473194941.db2.gz AVIGMZYGXFIOME-CYBMUJFWSA-N 1 2 326.366 2.711 20 70 EFIDLO Cc1nc2ccccn2c1C[NH+]1CCN([C@H](C)C(F)(F)F)CC1 ZINC000160963737 473194944 /nfs/dbraw/zinc/19/49/44/473194944.db2.gz AVIGMZYGXFIOME-CYBMUJFWSA-N 1 2 326.366 2.711 20 70 EFIDLO COc1cc(CN(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)ccc1SC ZINC000161006314 473198037 /nfs/dbraw/zinc/19/80/37/473198037.db2.gz ZUBNXAANQIIBJP-AWEZNQCLSA-N 1 2 345.468 2.835 20 70 EFIDLO CC[C@H](C)c1cc(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)on1 ZINC000159479005 522030974 /nfs/dbraw/zinc/03/09/74/522030974.db2.gz QOOXZMBWFVFTMC-LSDHHAIUSA-N 1 2 337.464 2.665 20 70 EFIDLO CCC[N@H+](CC(=O)N1CCC[C@@H](C)C1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000159976303 527886348 /nfs/dbraw/zinc/88/63/48/527886348.db2.gz MDDCEDIMWHHGKL-SJORKVTESA-N 1 2 345.487 2.984 20 70 EFIDLO CCC[N@@H+](CC(=O)N1CCC[C@@H](C)C1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000159976303 527886356 /nfs/dbraw/zinc/88/63/56/527886356.db2.gz MDDCEDIMWHHGKL-SJORKVTESA-N 1 2 345.487 2.984 20 70 EFIDLO CCOc1ccc([C@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000159739761 528604912 /nfs/dbraw/zinc/60/49/12/528604912.db2.gz XVVMLSWZZVMXKZ-DZGCQCFKSA-N 1 2 343.427 2.730 20 70 EFIDLO CCCOc1ccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000159728109 528682060 /nfs/dbraw/zinc/68/20/60/528682060.db2.gz VVQZQHHOAQJSKM-OAHLLOKOSA-N 1 2 343.427 2.559 20 70 EFIDLO CC[C@@H](CC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1)c1ccc(C)cc1 ZINC000160153978 529450994 /nfs/dbraw/zinc/45/09/94/529450994.db2.gz GKZZIGLXJYQXFM-MSOLQXFVSA-N 1 2 331.504 2.631 20 70 EFIDLO O=C(NCc1[nH]cc[nH+]1)Nc1ccnn1Cc1ccc(Cl)c(F)c1 ZINC000160643719 239053163 /nfs/dbraw/zinc/05/31/63/239053163.db2.gz HGKHDORVWUXGOS-UHFFFAOYSA-N 1 2 348.769 2.769 20 70 EFIDLO COc1ccc(-c2noc([C@@H](C)SCC[NH+]3CCOCC3)n2)cc1 ZINC000160002669 533208905 /nfs/dbraw/zinc/20/89/05/533208905.db2.gz GZCVYYLKYFSTKY-CYBMUJFWSA-N 1 2 349.456 2.872 20 70 EFIDLO C[C@@H]1CC(=O)CC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000159394230 225208885 /nfs/dbraw/zinc/20/88/85/225208885.db2.gz HJYXWKPOPFICRA-BEFAXECRSA-N 1 2 346.446 2.865 20 70 EFIDLO C[C@@H]1CC(=O)CC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000159394230 225208887 /nfs/dbraw/zinc/20/88/87/225208887.db2.gz HJYXWKPOPFICRA-BEFAXECRSA-N 1 2 346.446 2.865 20 70 EFIDLO C[C@H](SCC[NH+]1CCOCC1)c1nc(Cc2ccccc2)no1 ZINC000159809698 225281550 /nfs/dbraw/zinc/28/15/50/225281550.db2.gz MWAAERDPXOHXPP-AWEZNQCLSA-N 1 2 333.457 2.787 20 70 EFIDLO C[C@@H](c1nnnn1-c1ccccc1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159850837 225289749 /nfs/dbraw/zinc/28/97/49/225289749.db2.gz MDUPUWNBHRDSHT-HNNXBMFYSA-N 1 2 336.443 2.921 20 70 EFIDLO C[C@@H](c1nnnn1-c1ccccc1)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159850837 225289752 /nfs/dbraw/zinc/28/97/52/225289752.db2.gz MDUPUWNBHRDSHT-HNNXBMFYSA-N 1 2 336.443 2.921 20 70 EFIDLO C[C@H](c1nnnn1-c1ccccc1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159850949 225291141 /nfs/dbraw/zinc/29/11/41/225291141.db2.gz MDUPUWNBHRDSHT-OAHLLOKOSA-N 1 2 336.443 2.921 20 70 EFIDLO C[C@H](c1nnnn1-c1ccccc1)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159850949 225291145 /nfs/dbraw/zinc/29/11/45/225291145.db2.gz MDUPUWNBHRDSHT-OAHLLOKOSA-N 1 2 336.443 2.921 20 70 EFIDLO CSc1cccc(NC(=O)[C@H](C)SCC[NH+]2CCOCC2)c1 ZINC000159870427 225294053 /nfs/dbraw/zinc/29/40/53/225294053.db2.gz VDPABIITUOGXRX-ZDUSSCGKSA-N 1 2 340.514 2.801 20 70 EFIDLO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160126486 225342885 /nfs/dbraw/zinc/34/28/85/225342885.db2.gz XGVKRYCIGSZFFS-SJORKVTESA-N 1 2 341.480 2.899 20 70 EFIDLO C[C@H]1CN(C(=O)NCCCn2cc[nH+]c2)C[C@@H](c2ccsc2)O1 ZINC000160182857 225356140 /nfs/dbraw/zinc/35/61/40/225356140.db2.gz LWZKKWHQYWJTGW-ZFWWWQNUSA-N 1 2 334.445 2.506 20 70 EFIDLO Cc1nccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1Cl ZINC000159855260 544799112 /nfs/dbraw/zinc/79/91/12/544799112.db2.gz GFQJYMMRZSQSEL-GFCCVEGCSA-N 1 2 331.807 2.839 20 70 EFIDLO C[C@@H](CC(=O)N1CCC[N@H+](Cc2cscn2)CC1)c1ccncc1 ZINC000159898363 544799445 /nfs/dbraw/zinc/79/94/45/544799445.db2.gz LWAWHBSLDNINMH-HNNXBMFYSA-N 1 2 344.484 2.766 20 70 EFIDLO C[C@@H](CC(=O)N1CCC[N@@H+](Cc2cscn2)CC1)c1ccncc1 ZINC000159898363 544799449 /nfs/dbraw/zinc/79/94/49/544799449.db2.gz LWAWHBSLDNINMH-HNNXBMFYSA-N 1 2 344.484 2.766 20 70 EFIDLO Cc1ccc2[nH]c([C@H]3CCCN3C(=O)[C@H]3CCn4cc[nH+]c4C3)nc2c1 ZINC000161013754 544810349 /nfs/dbraw/zinc/81/03/49/544810349.db2.gz XEZQZIVGMNOLAD-WMLDXEAASA-N 1 2 349.438 2.994 20 70 EFIDLO Cc1ccc2nc([C@H]3CCCN3C(=O)[C@H]3CCn4cc[nH+]c4C3)[nH]c2c1 ZINC000161013754 544810357 /nfs/dbraw/zinc/81/03/57/544810357.db2.gz XEZQZIVGMNOLAD-WMLDXEAASA-N 1 2 349.438 2.994 20 70 EFIDLO CN(C(=O)CSCC[NH+]1CCOCC1)[C@H]1CCCc2ccccc21 ZINC000160048434 310694180 /nfs/dbraw/zinc/69/41/80/310694180.db2.gz VKECEBBEYLUPFD-SFHVURJKSA-N 1 2 348.512 2.588 20 70 EFIDLO COc1ccc(Cc2nnc(SCCn3cc[nH+]c3)o2)cc1OC ZINC000160142210 310695203 /nfs/dbraw/zinc/69/52/03/310695203.db2.gz SUBBDLFBVGFAGP-UHFFFAOYSA-N 1 2 346.412 2.666 20 70 EFIDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)N[C@@H](C)c1ccccc1OC ZINC000161115045 473208278 /nfs/dbraw/zinc/20/82/78/473208278.db2.gz URTZOAAZPNUROO-LSDHHAIUSA-N 1 2 344.459 2.517 20 70 EFIDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)N[C@@H](C)c1ccccc1OC ZINC000161115045 473208282 /nfs/dbraw/zinc/20/82/82/473208282.db2.gz URTZOAAZPNUROO-LSDHHAIUSA-N 1 2 344.459 2.517 20 70 EFIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000161142542 473211248 /nfs/dbraw/zinc/21/12/48/473211248.db2.gz VRUOUIVARJKKHE-AWEZNQCLSA-N 1 2 343.427 2.906 20 70 EFIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000161142542 473211251 /nfs/dbraw/zinc/21/12/51/473211251.db2.gz VRUOUIVARJKKHE-AWEZNQCLSA-N 1 2 343.427 2.906 20 70 EFIDLO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccco1 ZINC000161125120 473209532 /nfs/dbraw/zinc/20/95/32/473209532.db2.gz HOMHEISOZCOEMJ-MRXNPFEDSA-N 1 2 345.395 2.959 20 70 EFIDLO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccco1 ZINC000161125120 473209534 /nfs/dbraw/zinc/20/95/34/473209534.db2.gz HOMHEISOZCOEMJ-MRXNPFEDSA-N 1 2 345.395 2.959 20 70 EFIDLO COc1c(F)cc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1F ZINC000161157494 473213102 /nfs/dbraw/zinc/21/31/02/473213102.db2.gz LTZRGIOWKZSLQZ-NSHDSACASA-N 1 2 348.353 2.769 20 70 EFIDLO CC(C)(C)c1nnc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000161170012 473214224 /nfs/dbraw/zinc/21/42/24/473214224.db2.gz LABHODUGPABYRS-NSHDSACASA-N 1 2 346.460 2.631 20 70 EFIDLO CC(C)[C@@H](C(=O)Nc1cnc(C(C)(C)C)nc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000161218562 473218056 /nfs/dbraw/zinc/21/80/56/473218056.db2.gz KMVQCNGLVSDRQW-LZWOXQAQSA-N 1 2 348.491 2.846 20 70 EFIDLO CC(C)[C@@H](C(=O)Nc1cnc(C(C)(C)C)nc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000161218562 473218060 /nfs/dbraw/zinc/21/80/60/473218060.db2.gz KMVQCNGLVSDRQW-LZWOXQAQSA-N 1 2 348.491 2.846 20 70 EFIDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccnc(Cl)c1F ZINC000161257066 473220503 /nfs/dbraw/zinc/22/05/03/473220503.db2.gz YASPPDFRYXPSPY-UHFFFAOYSA-N 1 2 334.782 2.799 20 70 EFIDLO O=C(Cc1c[nH]c2cc(F)ccc12)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161298229 473224868 /nfs/dbraw/zinc/22/48/68/473224868.db2.gz LDVVDNWJHRBWDY-OAHLLOKOSA-N 1 2 338.386 2.640 20 70 EFIDLO COCc1ccc([C@H]2CCCN2C(=O)Cc2cn3ccccc3[nH+]2)o1 ZINC000161435085 473235728 /nfs/dbraw/zinc/23/57/28/473235728.db2.gz DBSCBUVHWYNGEP-MRXNPFEDSA-N 1 2 339.395 2.980 20 70 EFIDLO Cc1nc(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(C)s1 ZINC000161498869 473239519 /nfs/dbraw/zinc/23/95/19/473239519.db2.gz UXUSMGVBASZLMK-KRWDZBQOSA-N 1 2 346.452 2.704 20 70 EFIDLO Cc1nc(COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C)s1 ZINC000161498869 473239525 /nfs/dbraw/zinc/23/95/25/473239525.db2.gz UXUSMGVBASZLMK-KRWDZBQOSA-N 1 2 346.452 2.704 20 70 EFIDLO O=C1[C@H](Sc2[nH+]cc3ccccn32)CCCN1CC(F)(F)F ZINC000159371479 473021992 /nfs/dbraw/zinc/02/19/92/473021992.db2.gz NIBQKVBHGRIHNM-LLVKDONJSA-N 1 2 329.347 2.980 20 70 EFIDLO COC(=O)c1occc1C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159561769 473039025 /nfs/dbraw/zinc/03/90/25/473039025.db2.gz HKWQKQUWVLYHJW-IBGZPJMESA-N 1 2 327.380 2.740 20 70 EFIDLO COC(=O)c1occc1C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159561769 473039028 /nfs/dbraw/zinc/03/90/28/473039028.db2.gz HKWQKQUWVLYHJW-IBGZPJMESA-N 1 2 327.380 2.740 20 70 EFIDLO C[C@H]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000159591581 473042262 /nfs/dbraw/zinc/04/22/62/473042262.db2.gz UXDYMFWEBZNDEU-DLBZAZTESA-N 1 2 330.476 2.735 20 70 EFIDLO CC1CCC(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000159592111 473042412 /nfs/dbraw/zinc/04/24/12/473042412.db2.gz OGUDDAQREAZAFG-UHFFFAOYSA-N 1 2 330.476 2.735 20 70 EFIDLO O=C(C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1)N1CCc2ccccc21 ZINC000159614822 473044672 /nfs/dbraw/zinc/04/46/72/473044672.db2.gz VNRPFZLHQDVBGA-QFIPXVFZSA-N 1 2 348.446 2.750 20 70 EFIDLO O=C(C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1)N1CCc2ccccc21 ZINC000159614822 473044677 /nfs/dbraw/zinc/04/46/77/473044677.db2.gz VNRPFZLHQDVBGA-QFIPXVFZSA-N 1 2 348.446 2.750 20 70 EFIDLO C[C@H]1CC(NC(=O)Nc2ccccc2C[NH+]2CCOCC2)C[C@H](C)O1 ZINC000159658376 473048377 /nfs/dbraw/zinc/04/83/77/473048377.db2.gz OOSFUIQTHBBRLZ-GJZGRUSLSA-N 1 2 347.459 2.596 20 70 EFIDLO O=C(Nc1ccc(Br)cc1O)[C@H]1CCn2cc[nH+]c2C1 ZINC000159869013 473067710 /nfs/dbraw/zinc/06/77/10/473067710.db2.gz SLLXDOJLSUZFMN-VIFPVBQESA-N 1 2 336.189 2.552 20 70 EFIDLO CCn1nc(C)c(C[N@H+](CC)Cc2nc3ccccc3c(=O)[nH]2)c1C ZINC000159890314 473070634 /nfs/dbraw/zinc/07/06/34/473070634.db2.gz BGYVNGCGJOBLQS-UHFFFAOYSA-N 1 2 339.443 2.778 20 70 EFIDLO CCn1nc(C)c(C[N@@H+](CC)Cc2nc3ccccc3c(=O)[nH]2)c1C ZINC000159890314 473070639 /nfs/dbraw/zinc/07/06/39/473070639.db2.gz BGYVNGCGJOBLQS-UHFFFAOYSA-N 1 2 339.443 2.778 20 70 EFIDLO C[C@H](SCC[NH+]1CCOCC1)c1nnc(-c2cccs2)o1 ZINC000160012930 473079847 /nfs/dbraw/zinc/07/98/47/473079847.db2.gz NGMYUVKKGVCMOX-NSHDSACASA-N 1 2 325.459 2.925 20 70 EFIDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)C1CCCCC1 ZINC000160363648 473113049 /nfs/dbraw/zinc/11/30/49/473113049.db2.gz YLFMBAAHEMNUOF-MRXNPFEDSA-N 1 2 330.476 2.878 20 70 EFIDLO COc1ccc([C@H](CCO)Nc2nc(N(C)C)nc(C(C)C)[nH+]2)cc1 ZINC000160383950 473115462 /nfs/dbraw/zinc/11/54/62/473115462.db2.gz QRIFWKSHRRTEOS-HNNXBMFYSA-N 1 2 345.447 2.605 20 70 EFIDLO COc1ccc([C@H](CCO)Nc2nc(C(C)C)[nH+]c(N(C)C)n2)cc1 ZINC000160383950 473115467 /nfs/dbraw/zinc/11/54/67/473115467.db2.gz QRIFWKSHRRTEOS-HNNXBMFYSA-N 1 2 345.447 2.605 20 70 EFIDLO Cc1noc(C)c1CN1CC[NH+](CCC(=O)c2ccc(C)cc2)CC1 ZINC000160384298 473115775 /nfs/dbraw/zinc/11/57/75/473115775.db2.gz NYUJHZLHTMGZOP-UHFFFAOYSA-N 1 2 341.455 2.990 20 70 EFIDLO O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)N1CCC2(CCC2)C1 ZINC000160417188 473120626 /nfs/dbraw/zinc/12/06/26/473120626.db2.gz OVXKRMZMAAHOCD-GOSISDBHSA-N 1 2 343.471 2.646 20 70 EFIDLO CC(C)COc1cccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000160436278 473124034 /nfs/dbraw/zinc/12/40/34/473124034.db2.gz OILPCFFRMHNEOH-MRXNPFEDSA-N 1 2 327.428 2.797 20 70 EFIDLO O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160468147 473128374 /nfs/dbraw/zinc/12/83/74/473128374.db2.gz RTVFEMORSUZHLN-ZIFCJYIRSA-N 1 2 339.439 2.730 20 70 EFIDLO O=C(C[NH+]1CCC(c2cc[nH]n2)CC1)Nc1nc2c(s1)CCCC2 ZINC000160548527 473141005 /nfs/dbraw/zinc/14/10/05/473141005.db2.gz ARZVOUAYPXYQCO-UHFFFAOYSA-N 1 2 345.472 2.563 20 70 EFIDLO CC[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000160569694 473143948 /nfs/dbraw/zinc/14/39/48/473143948.db2.gz UVBSLKWAXKQWHH-CYBMUJFWSA-N 1 2 339.354 2.854 20 70 EFIDLO CC[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000160569694 473143955 /nfs/dbraw/zinc/14/39/55/473143955.db2.gz UVBSLKWAXKQWHH-CYBMUJFWSA-N 1 2 339.354 2.854 20 70 EFIDLO CC(C)S(=O)(=O)CCC[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000160572436 473145173 /nfs/dbraw/zinc/14/51/73/473145173.db2.gz WPOKSMOSAAMMRU-HNNXBMFYSA-N 1 2 345.530 2.942 20 70 EFIDLO CC(C)S(=O)(=O)CCC[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000160572436 473145177 /nfs/dbraw/zinc/14/51/77/473145177.db2.gz WPOKSMOSAAMMRU-HNNXBMFYSA-N 1 2 345.530 2.942 20 70 EFIDLO Cc1nc(N(C)Cc2nc(=O)c3sccc3[nH]2)c2c([nH+]1)CCCC2 ZINC000160597535 473149609 /nfs/dbraw/zinc/14/96/09/473149609.db2.gz NWASHXSSIBMAMX-UHFFFAOYSA-N 1 2 341.440 2.598 20 70 EFIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccccc1OC1CCCCC1 ZINC000160604989 473151029 /nfs/dbraw/zinc/15/10/29/473151029.db2.gz UFNDHPQWYOPAFZ-MRXNPFEDSA-N 1 2 346.471 2.849 20 70 EFIDLO CC(C)Cn1ncc(C(=O)N(C)CCCn2cc[nH+]c2)c1C1CC1 ZINC000160616187 473152280 /nfs/dbraw/zinc/15/22/80/473152280.db2.gz GEHLLBNUFJGVOP-UHFFFAOYSA-N 1 2 329.448 2.775 20 70 EFIDLO Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000160621102 473152450 /nfs/dbraw/zinc/15/24/50/473152450.db2.gz YBULZCXCBQTFQO-IAGOWNOFSA-N 1 2 341.480 2.899 20 70 EFIDLO COc1cc(F)ccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160632669 473154357 /nfs/dbraw/zinc/15/43/57/473154357.db2.gz OYAFYDIQIAQGNQ-ZDUSSCGKSA-N 1 2 330.363 2.630 20 70 EFIDLO COc1cc2nc(N[C@@H]3CCOC(C)(C)C3)[nH+]c(N)c2cc1OC ZINC000160672816 473159413 /nfs/dbraw/zinc/15/94/13/473159413.db2.gz GMRWIKXNMZZXFK-SNVBAGLBSA-N 1 2 332.404 2.599 20 70 EFIDLO COc1cc2nc(N[C@H]3CCOC(C)(C)C3)[nH+]c(N)c2cc1OC ZINC000160672954 473159542 /nfs/dbraw/zinc/15/95/42/473159542.db2.gz GMRWIKXNMZZXFK-JTQLQIEISA-N 1 2 332.404 2.599 20 70 EFIDLO COc1cccc(C2(NC(=O)NCCCNc3cccc[nH+]3)CC2)c1 ZINC000160682060 473160807 /nfs/dbraw/zinc/16/08/07/473160807.db2.gz SGWNRBLFJVELDF-UHFFFAOYSA-N 1 2 340.427 2.881 20 70 EFIDLO CCCCn1ncc(C(=O)NCCc2cn3ccccc3[nH+]2)c1C ZINC000160687338 473162090 /nfs/dbraw/zinc/16/20/90/473162090.db2.gz FCTJPHQHQRRFEO-UHFFFAOYSA-N 1 2 325.416 2.612 20 70 EFIDLO CCCNC(=O)[C@@H]1CN(Cc2[nH+]ccn2C(C)C)c2ccccc2O1 ZINC000160699297 473162898 /nfs/dbraw/zinc/16/28/98/473162898.db2.gz OPPYGMLYXCRQJP-KRWDZBQOSA-N 1 2 342.443 2.758 20 70 EFIDLO COc1cccc(N2CC[NH+](Cc3ccc([S@@](C)=O)cc3)CC2)c1 ZINC000160695956 473163500 /nfs/dbraw/zinc/16/35/00/473163500.db2.gz BGKBIQFPZWIDAC-DEOSSOPVSA-N 1 2 344.480 2.755 20 70 EFIDLO C[C@H](CC(=O)c1cccs1)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000160715257 473165610 /nfs/dbraw/zinc/16/56/10/473165610.db2.gz VQSPWTLSOTVPRD-GFCCVEGCSA-N 1 2 327.409 2.716 20 70 EFIDLO COCc1ccccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160717504 473166254 /nfs/dbraw/zinc/16/62/54/473166254.db2.gz KDKZIIWERSPFLT-OAHLLOKOSA-N 1 2 326.400 2.628 20 70 EFIDLO COC(=O)CCn1nc(C)c(C[N@H+](C)Cc2ccccc2F)c1C ZINC000160728615 473167365 /nfs/dbraw/zinc/16/73/65/473167365.db2.gz GHIWCXUNRXLLAO-UHFFFAOYSA-N 1 2 333.407 2.834 20 70 EFIDLO COC(=O)CCn1nc(C)c(C[N@@H+](C)Cc2ccccc2F)c1C ZINC000160728615 473167372 /nfs/dbraw/zinc/16/73/72/473167372.db2.gz GHIWCXUNRXLLAO-UHFFFAOYSA-N 1 2 333.407 2.834 20 70 EFIDLO CCO[C@@H]1C[C@@H](N(C)C(=O)NCc2cn3ccccc3[nH+]2)C12CCC2 ZINC000160761684 473172442 /nfs/dbraw/zinc/17/24/42/473172442.db2.gz WQZZKHZUMXBZMB-HZPDHXFCSA-N 1 2 342.443 2.823 20 70 EFIDLO Cn1ccnc1C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000160768332 473173365 /nfs/dbraw/zinc/17/33/65/473173365.db2.gz KDBURLGZFDJDFJ-MRXNPFEDSA-N 1 2 327.432 2.596 20 70 EFIDLO Cn1ccnc1C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000160768332 473173367 /nfs/dbraw/zinc/17/33/67/473173367.db2.gz KDBURLGZFDJDFJ-MRXNPFEDSA-N 1 2 327.432 2.596 20 70 EFIDLO Cn1cnnc1C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000160801049 473175925 /nfs/dbraw/zinc/17/59/25/473175925.db2.gz CLGDBAYRZKNERT-UHFFFAOYSA-N 1 2 331.807 2.989 20 70 EFIDLO COCCN(CCCc1ccccc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160861943 473184694 /nfs/dbraw/zinc/18/46/94/473184694.db2.gz UZMHGMDMPOPSDV-SFHVURJKSA-N 1 2 341.455 2.553 20 70 EFIDLO C[C@H](Cc1nc2ccccc2s1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160891629 473188487 /nfs/dbraw/zinc/18/84/87/473188487.db2.gz DMENLGDDVCAKQG-OLZOCXBDSA-N 1 2 340.452 2.803 20 70 EFIDLO O=S(=O)(Cc1cccc(F)c1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000160921891 473191463 /nfs/dbraw/zinc/19/14/63/473191463.db2.gz BVFXSTMPADHHNF-UHFFFAOYSA-N 1 2 331.372 2.953 20 70 EFIDLO Cc1nnc(CSc2[nH+]cnc3c2cnn3-c2ccccc2)n1C ZINC000160928611 473191919 /nfs/dbraw/zinc/19/19/19/473191919.db2.gz YHLGBTCXBSSDNK-UHFFFAOYSA-N 1 2 337.412 2.545 20 70 EFIDLO C[C@H]1CC(=O)CC[C@@H]1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000160937860 473192860 /nfs/dbraw/zinc/19/28/60/473192860.db2.gz SFAQFWOEYDEKOZ-FFJFPXHCSA-N 1 2 340.467 2.849 20 70 EFIDLO COc1ccc(C(C)(C)CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000160969456 473195007 /nfs/dbraw/zinc/19/50/07/473195007.db2.gz CSXRKVDCYBTGFZ-AWEZNQCLSA-N 1 2 327.428 2.548 20 70 EFIDLO Fc1ccc(F)c(N2CC[NH+](Cc3cnc4ccccn34)CC2)c1 ZINC000160985525 473196833 /nfs/dbraw/zinc/19/68/33/473196833.db2.gz VZQPNZRZICFEKV-UHFFFAOYSA-N 1 2 328.366 2.935 20 70 EFIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000161053202 473202399 /nfs/dbraw/zinc/20/23/99/473202399.db2.gz NPMZKRGFSLQTCN-ZDUSSCGKSA-N 1 2 327.384 2.659 20 70 EFIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000161053202 473202404 /nfs/dbraw/zinc/20/24/04/473202404.db2.gz NPMZKRGFSLQTCN-ZDUSSCGKSA-N 1 2 327.384 2.659 20 70 EFIDLO CCC[N@H+](Cc1cn(-c2ccccc2)nc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161079370 473204326 /nfs/dbraw/zinc/20/43/26/473204326.db2.gz MJYSHDNBNJDRTG-GOSISDBHSA-N 1 2 347.484 2.580 20 70 EFIDLO CCC[N@@H+](Cc1cn(-c2ccccc2)nc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161079370 473204332 /nfs/dbraw/zinc/20/43/32/473204332.db2.gz MJYSHDNBNJDRTG-GOSISDBHSA-N 1 2 347.484 2.580 20 70 EFIDLO Cc1ccc(CN(C(=O)CSCC[NH+]2CCOCC2)C2CC2)cc1 ZINC000160024931 533837927 /nfs/dbraw/zinc/83/79/27/533837927.db2.gz CMOTYKIJLOLURU-UHFFFAOYSA-N 1 2 348.512 2.551 20 70 EFIDLO Cc1ccc(F)cc1NC(=O)[C@@H](C)SCC[NH+]1CCOCC1 ZINC000159977524 534161116 /nfs/dbraw/zinc/16/11/16/534161116.db2.gz OBPCPVNQHHOLHC-CYBMUJFWSA-N 1 2 326.437 2.527 20 70 EFIDLO c1ccc(Cc2nccc(N3CC[NH+](Cc4ccccn4)CC3)n2)cc1 ZINC000159512511 534491654 /nfs/dbraw/zinc/49/16/54/534491654.db2.gz ATXNBZSBQHVFTE-UHFFFAOYSA-N 1 2 345.450 2.785 20 70 EFIDLO O=C([C@H](SCC[NH+]1CCOCC1)c1ccccc1)N1CCCCC1 ZINC000159922793 534623436 /nfs/dbraw/zinc/62/34/36/534623436.db2.gz JFKKLESKLWRMMY-GOSISDBHSA-N 1 2 348.512 2.806 20 70 EFIDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cnn(CC(C)C)c1C ZINC000160202620 534689881 /nfs/dbraw/zinc/68/98/81/534689881.db2.gz ITCNJSRHXOWTAB-UHFFFAOYSA-N 1 2 339.443 2.936 20 70 EFIDLO CO[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000160076411 523657884 /nfs/dbraw/zinc/65/78/84/523657884.db2.gz KOGRLUOBSZBBDS-IAGOWNOFSA-N 1 2 346.475 2.829 20 70 EFIDLO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1scnc1C ZINC000160218236 527922357 /nfs/dbraw/zinc/92/23/57/527922357.db2.gz PNSJPLJWCDGEAB-UHFFFAOYSA-N 1 2 346.456 2.871 20 70 EFIDLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1scnc1C ZINC000160218236 527922360 /nfs/dbraw/zinc/92/23/60/527922360.db2.gz PNSJPLJWCDGEAB-UHFFFAOYSA-N 1 2 346.456 2.871 20 70 EFIDLO CCC[C@H](CCO)CNC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000159361027 528115302 /nfs/dbraw/zinc/11/53/02/528115302.db2.gz FFPXGFMTEKDCPB-RCMYXZNBSA-N 1 2 327.428 2.800 20 70 EFIDLO CC1CCN(c2ccc(CNC(=O)[C@H](O)c3ccccc3)c[nH+]2)CC1 ZINC000159799457 528266614 /nfs/dbraw/zinc/26/66/14/528266614.db2.gz GSJPJIHPLXZCCL-LJQANCHMSA-N 1 2 339.439 2.668 20 70 EFIDLO CCN(CC)c1ccc(CNC(=O)[C@H](O)c2ccccc2Cl)c[nH+]1 ZINC000159787086 528306308 /nfs/dbraw/zinc/30/63/08/528306308.db2.gz MOWQEGWECKFCBJ-QGZVFWFLSA-N 1 2 347.846 2.931 20 70 EFIDLO CC[N@H+](CCC(=O)c1ccc(C)cc1)[C@@H](C)CS(=O)(=O)CC ZINC000159667534 528406349 /nfs/dbraw/zinc/40/63/49/528406349.db2.gz MGTVESOPFSTMNE-HNNXBMFYSA-N 1 2 325.474 2.713 20 70 EFIDLO CC[N@@H+](CCC(=O)c1ccc(C)cc1)[C@@H](C)CS(=O)(=O)CC ZINC000159667534 528406353 /nfs/dbraw/zinc/40/63/53/528406353.db2.gz MGTVESOPFSTMNE-HNNXBMFYSA-N 1 2 325.474 2.713 20 70 EFIDLO CC[C@H](OC1CCCCC1)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000159365677 529717222 /nfs/dbraw/zinc/71/72/22/529717222.db2.gz MBDAGOZYRGASFY-IBGZPJMESA-N 1 2 345.487 2.854 20 70 EFIDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CCCn2cccc2)CC1 ZINC000159553321 239029520 /nfs/dbraw/zinc/02/95/20/239029520.db2.gz IVPMITPRVBYUSS-KRWDZBQOSA-N 1 2 326.444 2.569 20 70 EFIDLO Cc1cc(N[C@H]2CCCN(CC(F)(F)F)C2=O)nc(C2CC2)[nH+]1 ZINC000161505946 239069794 /nfs/dbraw/zinc/06/97/94/239069794.db2.gz IKWRKNNTENTBEW-NSHDSACASA-N 1 2 328.338 2.628 20 70 EFIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cc2ccccc2cc1O ZINC000161366992 239070391 /nfs/dbraw/zinc/07/03/91/239070391.db2.gz XHPVQLWAQYOXOE-INIZCTEOSA-N 1 2 333.391 2.949 20 70 EFIDLO CCOc1ccccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159996562 225316174 /nfs/dbraw/zinc/31/61/74/225316174.db2.gz ONTSBUPYFMKPSH-AWEZNQCLSA-N 1 2 326.400 2.881 20 70 EFIDLO COc1ccc(-c2noc([C@H](C)SCC[NH+]3CCOCC3)n2)cc1 ZINC000160002520 225318419 /nfs/dbraw/zinc/31/84/19/225318419.db2.gz GZCVYYLKYFSTKY-ZDUSSCGKSA-N 1 2 349.456 2.872 20 70 EFIDLO Cc1ccc([C@@H](C)NC(=O)CSCC[NH+]2CCOCC2)cc1C ZINC000160045031 225326693 /nfs/dbraw/zinc/32/66/93/225326693.db2.gz PVFNXJRBPVUBEB-MRXNPFEDSA-N 1 2 336.501 2.546 20 70 EFIDLO C[C@H]1CN(C(=O)NCCCn2cc[nH+]c2)C[C@H](c2ccsc2)O1 ZINC000160182579 225356671 /nfs/dbraw/zinc/35/66/71/225356671.db2.gz LWZKKWHQYWJTGW-DZGCQCFKSA-N 1 2 334.445 2.506 20 70 EFIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCc2cccc(F)c2C1 ZINC000160228312 225365360 /nfs/dbraw/zinc/36/53/60/225365360.db2.gz VCZWHOPMOMIBAQ-HNNXBMFYSA-N 1 2 340.402 2.567 20 70 EFIDLO CC[C@@H](NC(=O)Nc1ccccc1C[NH+]1CCOCC1)[C@H]1CCCO1 ZINC000161434663 544814507 /nfs/dbraw/zinc/81/45/07/544814507.db2.gz WVPFWSLAQQRJKR-SJLPKXTDSA-N 1 2 347.459 2.598 20 70 EFIDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N[C@]2(C)CCOC2)C[C@H](C)O1 ZINC000161262314 297033143 /nfs/dbraw/zinc/03/31/43/297033143.db2.gz AROKBLVDMHQRHR-ZRGWGRIASA-N 1 2 347.459 2.596 20 70 EFIDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N[C@]2(C)CCOC2)C[C@H](C)O1 ZINC000161262314 297033145 /nfs/dbraw/zinc/03/31/45/297033145.db2.gz AROKBLVDMHQRHR-ZRGWGRIASA-N 1 2 347.459 2.596 20 70 EFIDLO O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000161096726 303912284 /nfs/dbraw/zinc/91/22/84/303912284.db2.gz UFGGLUHQEHALSX-YJNKXOJESA-N 1 2 330.432 2.604 20 70 EFIDLO O=C1[C@@H](Sc2[nH+]cc3ccccn32)CCCN1CC(F)(F)F ZINC000159371616 310686360 /nfs/dbraw/zinc/68/63/60/310686360.db2.gz NIBQKVBHGRIHNM-NSHDSACASA-N 1 2 329.347 2.980 20 70 EFIDLO Cn1c(=O)oc2c1cccc2C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000159974700 310693493 /nfs/dbraw/zinc/69/34/93/310693493.db2.gz VDDNAIIQVATSRO-UHFFFAOYSA-N 1 2 334.335 2.570 20 70 EFIDLO O=C(Nc1ccc(-n2cccn2)cc1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160512248 310699742 /nfs/dbraw/zinc/69/97/42/310699742.db2.gz NUZMOUFENHEGKG-INIZCTEOSA-N 1 2 348.410 2.668 20 70 EFIDLO O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000161096594 473206082 /nfs/dbraw/zinc/20/60/82/473206082.db2.gz UFGGLUHQEHALSX-XQLPTFJDSA-N 1 2 330.432 2.604 20 70 EFIDLO O=C(NCc1[nH]cc[nH+]1)Nc1cc(CC2CC2)nn1-c1ccccc1 ZINC000161020836 473199973 /nfs/dbraw/zinc/19/99/73/473199973.db2.gz RKURQSCHMOJWBZ-UHFFFAOYSA-N 1 2 336.399 2.870 20 70 EFIDLO O=C(/C=C/c1nc2ccccc2o1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161254396 473220737 /nfs/dbraw/zinc/22/07/37/473220737.db2.gz ZQIPUMJJCVCKMU-MYSGNRETSA-N 1 2 334.379 2.631 20 70 EFIDLO C[C@H]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C[C@@H]1C ZINC000161243384 473220105 /nfs/dbraw/zinc/22/01/05/473220105.db2.gz UDQHCWUGEYLLKP-ULQDDVLXSA-N 1 2 330.476 2.734 20 70 EFIDLO CC(C)n1cccc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000161265498 473221566 /nfs/dbraw/zinc/22/15/66/473221566.db2.gz CVRADUYODZVBMP-SFHVURJKSA-N 1 2 341.455 2.700 20 70 EFIDLO CC(C)n1cccc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000161265498 473221570 /nfs/dbraw/zinc/22/15/70/473221570.db2.gz CVRADUYODZVBMP-SFHVURJKSA-N 1 2 341.455 2.700 20 70 EFIDLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cnn(-c2ccc(F)cc2)c1 ZINC000161282892 473223885 /nfs/dbraw/zinc/22/38/85/473223885.db2.gz FUUJPCBYDUOOHJ-QGZVFWFLSA-N 1 2 331.391 2.929 20 70 EFIDLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cnn(-c2ccc(F)cc2)c1 ZINC000161282892 473223890 /nfs/dbraw/zinc/22/38/90/473223890.db2.gz FUUJPCBYDUOOHJ-QGZVFWFLSA-N 1 2 331.391 2.929 20 70 EFIDLO COc1cc(F)cc2sc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)nc21 ZINC000161413859 473234036 /nfs/dbraw/zinc/23/40/36/473234036.db2.gz GCGYTJNIEYFXMZ-VIFPVBQESA-N 1 2 346.387 2.842 20 70 EFIDLO COc1cc(C[NH2+]C2(c3noc(C)n3)CCCC2)cc2c1OCO2 ZINC000161370925 473230386 /nfs/dbraw/zinc/23/03/86/473230386.db2.gz CGJHYVYGOIAZMH-UHFFFAOYSA-N 1 2 331.372 2.674 20 70 EFIDLO C[N@H+](CCOC(C)(C)C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000161433473 473235301 /nfs/dbraw/zinc/23/53/01/473235301.db2.gz XQNGZYZMDDTMFO-ZDUSSCGKSA-N 1 2 343.265 2.722 20 70 EFIDLO C[N@@H+](CCOC(C)(C)C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000161433473 473235304 /nfs/dbraw/zinc/23/53/04/473235304.db2.gz XQNGZYZMDDTMFO-ZDUSSCGKSA-N 1 2 343.265 2.722 20 70 EFIDLO Cc1noc(C)c1[C@@H](C)CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161474905 473237672 /nfs/dbraw/zinc/23/76/72/473237672.db2.gz JCGCIGUIYHWGIW-SWLSCSKDSA-N 1 2 328.416 2.575 20 70 EFIDLO C[C@@H]1CC[C@H](C)N1C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000161471662 473238221 /nfs/dbraw/zinc/23/82/21/473238221.db2.gz UTUWPJCXDCHWNF-GASCZTMLSA-N 1 2 340.427 2.925 20 70 EFIDLO CCOCCC1(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCC1 ZINC000161483207 473239203 /nfs/dbraw/zinc/23/92/03/473239203.db2.gz YDNHBGDILORQDX-UHFFFAOYSA-N 1 2 331.460 2.895 20 70 EFIDLO CCOC(=O)C1(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CCC1 ZINC000159388369 473024039 /nfs/dbraw/zinc/02/40/39/473024039.db2.gz QWHYFQILQUBHRH-UHFFFAOYSA-N 1 2 327.384 2.759 20 70 EFIDLO CCCCOC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000159524678 473035778 /nfs/dbraw/zinc/03/57/78/473035778.db2.gz NUEZHQALLFLNAA-OAHLLOKOSA-N 1 2 347.459 2.772 20 70 EFIDLO C[C@H]1CC(=O)CC[C@@H]1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000159632706 473045114 /nfs/dbraw/zinc/04/51/14/473045114.db2.gz JTOWGIJCMZFHPG-YJBOKZPZSA-N 1 2 339.439 2.595 20 70 EFIDLO C[C@H]1CCCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159641542 473046870 /nfs/dbraw/zinc/04/68/70/473046870.db2.gz QWJAASRKOUUPGL-IRXDYDNUSA-N 1 2 330.476 2.735 20 70 EFIDLO CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159650769 473048430 /nfs/dbraw/zinc/04/84/30/473048430.db2.gz FUXNBGDTROKBKD-MGPUTAFESA-N 1 2 330.472 2.854 20 70 EFIDLO CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159650769 473048436 /nfs/dbraw/zinc/04/84/36/473048436.db2.gz FUXNBGDTROKBKD-MGPUTAFESA-N 1 2 330.472 2.854 20 70 EFIDLO CC(C)[C@@H](SCC[NH+]1CCOCC1)C(=O)N(C)c1ccccc1 ZINC000159867248 473067927 /nfs/dbraw/zinc/06/79/27/473067927.db2.gz IJWAVGDBDBVESA-QGZVFWFLSA-N 1 2 336.501 2.739 20 70 EFIDLO Clc1ccc(-c2nnc(CSCC[NH+]3CCOCC3)o2)cc1 ZINC000159932975 473072872 /nfs/dbraw/zinc/07/28/72/473072872.db2.gz LVOPTPYQQHMTGD-UHFFFAOYSA-N 1 2 339.848 2.955 20 70 EFIDLO Cn1ccc(C[NH+]2CCN(C(=O)C(C)(C)c3ccccc3)CC2)c1 ZINC000159949769 473074357 /nfs/dbraw/zinc/07/43/57/473074357.db2.gz GMQPXYPMJNHMFJ-UHFFFAOYSA-N 1 2 325.456 2.647 20 70 EFIDLO CC(C)[C@H](NC(=O)CSCC[NH+]1CCOCC1)c1ccccc1 ZINC000159959827 473075674 /nfs/dbraw/zinc/07/56/74/473075674.db2.gz FDQJSXBYKQEHKB-SFHVURJKSA-N 1 2 336.501 2.565 20 70 EFIDLO O=C(CSCC[NH+]1CCOCC1)NCCCC1CCCCC1 ZINC000160026864 473082049 /nfs/dbraw/zinc/08/20/49/473082049.db2.gz VZPXVOHQJAJBFT-UHFFFAOYSA-N 1 2 328.522 2.529 20 70 EFIDLO COC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000160150339 473090682 /nfs/dbraw/zinc/09/06/82/473090682.db2.gz WCLVFWSBMICPHR-YPMHNXCESA-N 1 2 333.363 2.617 20 70 EFIDLO COC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000160150339 473090689 /nfs/dbraw/zinc/09/06/89/473090689.db2.gz WCLVFWSBMICPHR-YPMHNXCESA-N 1 2 333.363 2.617 20 70 EFIDLO Cc1ccc(-c2nc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)n[nH]2)o1 ZINC000160200122 473097063 /nfs/dbraw/zinc/09/70/63/473097063.db2.gz RHNLFCYBOHDJCH-UHFFFAOYSA-N 1 2 334.339 2.811 20 70 EFIDLO O=C(Nc1nc(C2CC2)cs1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160366784 473112357 /nfs/dbraw/zinc/11/23/57/473112357.db2.gz QIJMSKJVFGBUFC-LBPRGKRZSA-N 1 2 329.429 2.816 20 70 EFIDLO O=C(N[C@@H]1C[C@H]1C1CCCCC1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160383458 473114466 /nfs/dbraw/zinc/11/44/66/473114466.db2.gz NCJACRRBGCFBKV-RBUKOAKNSA-N 1 2 342.487 2.878 20 70 EFIDLO Cc1cccc2[nH]c(CNC(=O)c3cccc(-n4cc[nH+]c4)c3)nc21 ZINC000160441733 473125460 /nfs/dbraw/zinc/12/54/60/473125460.db2.gz FDBACRFYILLPMI-UHFFFAOYSA-N 1 2 331.379 2.987 20 70 EFIDLO CCc1nnc(C[NH2+][C@H](COC)c2cccc(C(F)(F)F)c2)[nH]1 ZINC000160446872 473126271 /nfs/dbraw/zinc/12/62/71/473126271.db2.gz JWBLASAQGQCSGV-GFCCVEGCSA-N 1 2 328.338 2.863 20 70 EFIDLO CS[C@H](C)CC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000160520359 473136208 /nfs/dbraw/zinc/13/62/08/473136208.db2.gz ODSQJDOXGRRAQO-NVXWUHKLSA-N 1 2 336.501 2.626 20 70 EFIDLO COc1cc(C)ccc1CNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000160521181 473136362 /nfs/dbraw/zinc/13/63/62/473136362.db2.gz GGUIKJOZLQFFIU-OAHLLOKOSA-N 1 2 342.443 2.614 20 70 EFIDLO COc1cc(C)ccc1CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000160521181 473136371 /nfs/dbraw/zinc/13/63/71/473136371.db2.gz GGUIKJOZLQFFIU-OAHLLOKOSA-N 1 2 342.443 2.614 20 70 EFIDLO CC[N@H+](Cc1cnc(C2CCCC2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000160545114 473140644 /nfs/dbraw/zinc/14/06/44/473140644.db2.gz LZWUOXAABIBJHW-ZDUSSCGKSA-N 1 2 328.503 2.810 20 70 EFIDLO CC[N@@H+](Cc1cnc(C2CCCC2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000160545114 473140647 /nfs/dbraw/zinc/14/06/47/473140647.db2.gz LZWUOXAABIBJHW-ZDUSSCGKSA-N 1 2 328.503 2.810 20 70 EFIDLO CC(C)CCn1ccc(NC(=O)NCCc2cn3ccccc3[nH+]2)n1 ZINC000160628415 473153380 /nfs/dbraw/zinc/15/33/80/473153380.db2.gz VTZGCPSWIVBPEF-UHFFFAOYSA-N 1 2 340.431 2.941 20 70 EFIDLO C[C@@H](C[C@H](O)c1ccccc1)NC(=O)NCCCNc1cccc[nH+]1 ZINC000160680997 473160520 /nfs/dbraw/zinc/16/05/20/473160520.db2.gz BYJVODFBVCQFGA-RDJZCZTQSA-N 1 2 342.443 2.695 20 70 EFIDLO CC1(C)CCCC[C@@H]1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160702501 473163600 /nfs/dbraw/zinc/16/36/00/473163600.db2.gz DRULWRDYDIFUIY-KRWDZBQOSA-N 1 2 330.476 2.878 20 70 EFIDLO O=C(Nc1ccccc1-n1cccn1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160783769 473175267 /nfs/dbraw/zinc/17/52/67/473175267.db2.gz FGFPTYZYBOFFMJ-OAHLLOKOSA-N 1 2 348.410 2.668 20 70 EFIDLO O=C(NCCCn1cc[nH+]c1)NCC1(c2cccc(Cl)c2)CC1 ZINC000160802584 473176523 /nfs/dbraw/zinc/17/65/23/473176523.db2.gz YMYXOPUDZARMAR-UHFFFAOYSA-N 1 2 332.835 2.958 20 70 EFIDLO C[C@@H](NC(=O)NCCn1cc[nH+]c1)c1ncc(-c2ccccc2)o1 ZINC000160815967 473178561 /nfs/dbraw/zinc/17/85/61/473178561.db2.gz BKALGIMKPGAKFH-CYBMUJFWSA-N 1 2 325.372 2.599 20 70 EFIDLO CC[C@@]1(C)C[C@H]1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000160835681 473181065 /nfs/dbraw/zinc/18/10/65/473181065.db2.gz HOEDOKDEKKMTDF-PXNSSMCTSA-N 1 2 343.471 2.642 20 70 EFIDLO C[C@H](CC(=O)c1cccs1)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000160892201 473188525 /nfs/dbraw/zinc/18/85/25/473188525.db2.gz ILHIYFQPIBMFMU-CQSZACIVSA-N 1 2 330.453 2.958 20 70 EFIDLO C[C@H](CC(=O)c1cccs1)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000160892201 473188530 /nfs/dbraw/zinc/18/85/30/473188530.db2.gz ILHIYFQPIBMFMU-CQSZACIVSA-N 1 2 330.453 2.958 20 70 EFIDLO COc1ccc(C(C)(C)CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000160969319 473195301 /nfs/dbraw/zinc/19/53/01/473195301.db2.gz CSXRKVDCYBTGFZ-CQSZACIVSA-N 1 2 327.428 2.548 20 70 EFIDLO CC(C)COc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000160988201 473196436 /nfs/dbraw/zinc/19/64/36/473196436.db2.gz ODNMAQSDOAVHDZ-LJQANCHMSA-N 1 2 346.471 2.545 20 70 EFIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000161065978 473203558 /nfs/dbraw/zinc/20/35/58/473203558.db2.gz ZMYBEGUFYBZTEJ-AWEZNQCLSA-N 1 2 340.427 2.889 20 70 EFIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000161065978 473203565 /nfs/dbraw/zinc/20/35/65/473203565.db2.gz ZMYBEGUFYBZTEJ-AWEZNQCLSA-N 1 2 340.427 2.889 20 70 EFIDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000160186799 534271980 /nfs/dbraw/zinc/27/19/80/534271980.db2.gz CWYUAYJFSOVDDR-GZBFAFLISA-N 1 2 334.445 2.505 20 70 EFIDLO C[C@@H]1CN(C(=O)NCCCn2cc[nH+]c2)C[C@H](c2ccsc2)O1 ZINC000160182465 534312430 /nfs/dbraw/zinc/31/24/30/534312430.db2.gz LWZKKWHQYWJTGW-UKRRQHHQSA-N 1 2 334.445 2.506 20 70 EFIDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@@H]1CCC(=O)C[C@H]1C ZINC000159551502 534682108 /nfs/dbraw/zinc/68/21/08/534682108.db2.gz CXVDMRUYTOZPEC-CZUORRHYSA-N 1 2 327.428 2.856 20 70 EFIDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@H]1CCC(=O)C[C@@H]1C ZINC000159551352 534683835 /nfs/dbraw/zinc/68/38/35/534683835.db2.gz CXVDMRUYTOZPEC-BBRMVZONSA-N 1 2 327.428 2.856 20 70 EFIDLO O=C(NCc1ccccc1Br)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159384192 526742464 /nfs/dbraw/zinc/74/24/64/526742464.db2.gz JLDZJNRPDDFKIM-LLVKDONJSA-N 1 2 334.217 2.524 20 70 EFIDLO CCC[C@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCO1 ZINC000159890147 528394861 /nfs/dbraw/zinc/39/48/61/528394861.db2.gz PRLYGNGAJHAGAO-KRWDZBQOSA-N 1 2 346.475 2.782 20 70 EFIDLO CCOCCC1(CNC(=O)c2ccc(-n3cc[nH+]c3)nc2)CCC1 ZINC000160147178 528630945 /nfs/dbraw/zinc/63/09/45/528630945.db2.gz CFKQQGNOCQETSI-UHFFFAOYSA-N 1 2 328.416 2.594 20 70 EFIDLO CC[C@H](CC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1)c1ccc(C)cc1 ZINC000160154106 529304728 /nfs/dbraw/zinc/30/47/28/529304728.db2.gz GKZZIGLXJYQXFM-QZTJIDSGSA-N 1 2 331.504 2.631 20 70 EFIDLO CCNC(=O)N1CC[NH+](CCOc2cc(Cl)ccc2Cl)CC1 ZINC000216902920 577213780 /nfs/dbraw/zinc/21/37/80/577213780.db2.gz OMEIHAFXKFBZGJ-UHFFFAOYSA-N 1 2 346.258 2.719 20 70 EFIDLO CCc1nnc(C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)[nH]1 ZINC000160283002 529740425 /nfs/dbraw/zinc/74/04/25/529740425.db2.gz BOARBYBWJLFTJT-VIFPVBQESA-N 1 2 339.237 2.989 20 70 EFIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc2ccccc2c1O ZINC000161365719 239070276 /nfs/dbraw/zinc/07/02/76/239070276.db2.gz BAMCVEIRQWGXIH-OAHLLOKOSA-N 1 2 333.391 2.949 20 70 EFIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc2ccccc2c1O ZINC000161365849 239070885 /nfs/dbraw/zinc/07/08/85/239070885.db2.gz BAMCVEIRQWGXIH-HNNXBMFYSA-N 1 2 333.391 2.949 20 70 EFIDLO CC(C)c1[nH+]c2c(n1C)CCN(Cc1nnc(-c3ccco3)o1)C2 ZINC000216954930 241227602 /nfs/dbraw/zinc/22/76/02/241227602.db2.gz IRONGWUZBMWRGK-UHFFFAOYSA-N 1 2 327.388 2.745 20 70 EFIDLO C[C@@H]1CC(=O)CC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000159394489 225208707 /nfs/dbraw/zinc/20/87/07/225208707.db2.gz HJYXWKPOPFICRA-DNVCBOLYSA-N 1 2 346.446 2.865 20 70 EFIDLO C[C@@H]1CC(=O)CC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000159394489 225208709 /nfs/dbraw/zinc/20/87/09/225208709.db2.gz HJYXWKPOPFICRA-DNVCBOLYSA-N 1 2 346.446 2.865 20 70 EFIDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc(N(C)C)ccn2)CC1 ZINC000159414166 225213777 /nfs/dbraw/zinc/21/37/77/225213777.db2.gz SOESIIJQRISORI-AWEZNQCLSA-N 1 2 344.484 2.728 20 70 EFIDLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)[C@@H](O)c1ccccc1 ZINC000159800026 225279467 /nfs/dbraw/zinc/27/94/67/225279467.db2.gz UPYOVZADMNSFBO-IBGZPJMESA-N 1 2 339.439 2.812 20 70 EFIDLO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000159862100 225292756 /nfs/dbraw/zinc/29/27/56/225292756.db2.gz NQXXBSUBGYDEIO-SJORKVTESA-N 1 2 341.480 2.899 20 70 EFIDLO CCc1nsc(N2CC[NH+](CCC(=O)c3ccc(C)cc3)CC2)n1 ZINC000159909000 225300341 /nfs/dbraw/zinc/30/03/41/225300341.db2.gz NEHKETXJBJPSHA-UHFFFAOYSA-N 1 2 344.484 2.804 20 70 EFIDLO C[C@H](OC1CCCCCC1)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160189344 225356560 /nfs/dbraw/zinc/35/65/60/225356560.db2.gz WUSKQASRBXFQOH-KRWDZBQOSA-N 1 2 345.487 2.854 20 70 EFIDLO O=C(CC[C@@H]1CCOC1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161332927 225605159 /nfs/dbraw/zinc/60/51/59/225605159.db2.gz NUNYWQLVPZWTQJ-OAHLLOKOSA-N 1 2 336.863 2.801 20 70 EFIDLO C[C@H](CC(=O)N1CCC[N@H+](Cc2cscn2)CC1)c1ccncc1 ZINC000159898469 544799335 /nfs/dbraw/zinc/79/93/35/544799335.db2.gz LWAWHBSLDNINMH-OAHLLOKOSA-N 1 2 344.484 2.766 20 70 EFIDLO C[C@H](CC(=O)N1CCC[N@@H+](Cc2cscn2)CC1)c1ccncc1 ZINC000159898469 544799339 /nfs/dbraw/zinc/79/93/39/544799339.db2.gz LWAWHBSLDNINMH-OAHLLOKOSA-N 1 2 344.484 2.766 20 70 EFIDLO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)SCC[NH+]1CCOCC1 ZINC000159979197 310693717 /nfs/dbraw/zinc/69/37/17/310693717.db2.gz ZHTYPMBQDHKYCO-CVEARBPZSA-N 1 2 336.501 2.626 20 70 EFIDLO CCn1cc[nH+]c1CN(C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000160690473 310701929 /nfs/dbraw/zinc/70/19/29/310701929.db2.gz ZHHNKBHBAKRGIX-UHFFFAOYSA-N 1 2 336.823 2.636 20 70 EFIDLO Cc1cnn(-c2ccc(S(=O)(=O)Nc3cc[nH+]c(C)c3)cc2F)c1 ZINC000160919135 310704211 /nfs/dbraw/zinc/70/42/11/310704211.db2.gz BNKSTMPSDDHDIS-UHFFFAOYSA-N 1 2 346.387 2.824 20 70 EFIDLO Cc1cccc(NC(=O)[C@H](C)N2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000161176627 310706928 /nfs/dbraw/zinc/70/69/28/310706928.db2.gz RLECZHYEAUKRFB-KRWDZBQOSA-N 1 2 338.455 2.535 20 70 EFIDLO CC[N@H+](CC(=O)Nc1ccc(OC)c(Cl)c1)Cc1cnn(C)c1 ZINC000161081694 473205316 /nfs/dbraw/zinc/20/53/16/473205316.db2.gz WZGFJFYKOSKZHK-UHFFFAOYSA-N 1 2 336.823 2.543 20 70 EFIDLO CC[N@@H+](CC(=O)Nc1ccc(OC)c(Cl)c1)Cc1cnn(C)c1 ZINC000161081694 473205320 /nfs/dbraw/zinc/20/53/20/473205320.db2.gz WZGFJFYKOSKZHK-UHFFFAOYSA-N 1 2 336.823 2.543 20 70 EFIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cnc(Cl)c(Cl)c1 ZINC000161205408 473217414 /nfs/dbraw/zinc/21/74/14/473217414.db2.gz HRCNXDZLCVGUGV-LLVKDONJSA-N 1 2 337.210 2.792 20 70 EFIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cnc(Cl)c(Cl)c1 ZINC000161205307 473217431 /nfs/dbraw/zinc/21/74/31/473217431.db2.gz HRCNXDZLCVGUGV-NSHDSACASA-N 1 2 337.210 2.792 20 70 EFIDLO CC(C)CCn1ccc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)n1 ZINC000161237784 473219917 /nfs/dbraw/zinc/21/99/17/473219917.db2.gz OUFIMIRNOZSRFH-UHFFFAOYSA-N 1 2 344.463 2.826 20 70 EFIDLO CCn1c2ccccc2nc1[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161295035 473224500 /nfs/dbraw/zinc/22/45/00/473224500.db2.gz IGABSDVHARNJHL-KBPBESRZSA-N 1 2 337.427 2.693 20 70 EFIDLO CCn1c2ccccc2nc1[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161294953 473225119 /nfs/dbraw/zinc/22/51/19/473225119.db2.gz IGABSDVHARNJHL-KGLIPLIRSA-N 1 2 337.427 2.693 20 70 EFIDLO C[C@H](C(=O)Nc1ccccc1)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161339900 473227398 /nfs/dbraw/zinc/22/73/98/473227398.db2.gz PCVRCKWPDUHJKL-BXUZGUMPSA-N 1 2 330.350 2.649 20 70 EFIDLO O=C(N[C@@H](c1nccs1)c1ccccc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161413351 473233510 /nfs/dbraw/zinc/23/35/10/473233510.db2.gz DIXZZPVLUJRDAP-GOEBONIOSA-N 1 2 338.436 2.808 20 70 EFIDLO O=C(CSCC(F)(F)F)NCc1ccccc1-n1cc[nH+]c1 ZINC000161417154 473233583 /nfs/dbraw/zinc/23/35/83/473233583.db2.gz AXXVUUIUORWAGD-UHFFFAOYSA-N 1 2 329.347 2.784 20 70 EFIDLO CCCn1c(C)nnc1C[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000161406639 473232845 /nfs/dbraw/zinc/23/28/45/473232845.db2.gz BWHXVGUUOKZJQQ-UHFFFAOYSA-N 1 2 327.476 2.936 20 70 EFIDLO CCCCOC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000159524809 473035297 /nfs/dbraw/zinc/03/52/97/473035297.db2.gz NUEZHQALLFLNAA-HNNXBMFYSA-N 1 2 347.459 2.772 20 70 EFIDLO CC[C@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1cccc(C(N)=O)c1 ZINC000159650873 473047917 /nfs/dbraw/zinc/04/79/17/473047917.db2.gz AMYYUTKSMNEOLF-GOSISDBHSA-N 1 2 340.423 2.912 20 70 EFIDLO CC[C@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1cccc(C(N)=O)c1 ZINC000159650873 473047923 /nfs/dbraw/zinc/04/79/23/473047923.db2.gz AMYYUTKSMNEOLF-GOSISDBHSA-N 1 2 340.423 2.912 20 70 EFIDLO COC(=O)c1ccc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)o1 ZINC000159676136 473051409 /nfs/dbraw/zinc/05/14/09/473051409.db2.gz DXPKZDXJHPYPHC-IBGZPJMESA-N 1 2 327.380 2.740 20 70 EFIDLO COC(=O)c1ccc(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)o1 ZINC000159676136 473051417 /nfs/dbraw/zinc/05/14/17/473051417.db2.gz DXPKZDXJHPYPHC-IBGZPJMESA-N 1 2 327.380 2.740 20 70 EFIDLO C[C@@H]1C[NH+]([C@H](C(N)=O)c2cccc(Br)c2)C[C@@H](C)S1 ZINC000159703441 473052091 /nfs/dbraw/zinc/05/20/91/473052091.db2.gz NDQHDEGCXVTAAT-BREBYQMCSA-N 1 2 343.290 2.801 20 70 EFIDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1cc(F)cc2cccnc21 ZINC000159716593 473053455 /nfs/dbraw/zinc/05/34/55/473053455.db2.gz FTUJDBXTEQUNQU-UHFFFAOYSA-N 1 2 338.386 2.879 20 70 EFIDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1cc(=O)n2ccccc2n1 ZINC000159717603 473053521 /nfs/dbraw/zinc/05/35/21/473053521.db2.gz DXYYZLTXXBBUTD-UHFFFAOYSA-N 1 2 345.406 2.576 20 70 EFIDLO O=C(NCCc1cn2c([nH+]1)CCCC2)NCc1nc(C2CC2)cs1 ZINC000159779157 473060624 /nfs/dbraw/zinc/06/06/24/473060624.db2.gz ZGALMPPMRDVXBV-UHFFFAOYSA-N 1 2 345.472 2.595 20 70 EFIDLO CC(C)[C@@H](SCC[NH+]1CCOCC1)C(=O)NC1CCCCC1 ZINC000159822876 473063344 /nfs/dbraw/zinc/06/33/44/473063344.db2.gz OCRSRAHKGZGXDQ-MRXNPFEDSA-N 1 2 328.522 2.525 20 70 EFIDLO Cc1ccc(C[N@H+](C)CC(=O)Nc2ccc(Br)cn2)nc1 ZINC000159858402 473067908 /nfs/dbraw/zinc/06/79/08/473067908.db2.gz GGASLSMEKWJVHF-UHFFFAOYSA-N 1 2 349.232 2.618 20 70 EFIDLO Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Br)cn2)nc1 ZINC000159858402 473067913 /nfs/dbraw/zinc/06/79/13/473067913.db2.gz GGASLSMEKWJVHF-UHFFFAOYSA-N 1 2 349.232 2.618 20 70 EFIDLO CC(C)[C@@H](SCC[NH+]1CCOCC1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000159957896 473076383 /nfs/dbraw/zinc/07/63/83/473076383.db2.gz YXMWSRSFXTYBEY-IXDOHACOSA-N 1 2 342.549 2.581 20 70 EFIDLO C[C@H](SCC[NH+]1CCOCC1)c1nc(-c2cccs2)no1 ZINC000160017540 473080239 /nfs/dbraw/zinc/08/02/39/473080239.db2.gz BJQNJDWYWHZLDQ-NSHDSACASA-N 1 2 325.459 2.925 20 70 EFIDLO CN(C(=O)CSCC[NH+]1CCOCC1)[C@@H]1CCCc2ccccc21 ZINC000160048314 473083509 /nfs/dbraw/zinc/08/35/09/473083509.db2.gz VKECEBBEYLUPFD-GOSISDBHSA-N 1 2 348.512 2.588 20 70 EFIDLO COc1cccc([C@@H](O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)c1 ZINC000160095642 473087402 /nfs/dbraw/zinc/08/74/02/473087402.db2.gz FMNIGSHLTBPNBF-QGZVFWFLSA-N 1 2 337.379 2.768 20 70 EFIDLO O=C(NCCCCOCCc1ccccc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160120276 473089794 /nfs/dbraw/zinc/08/97/94/473089794.db2.gz HXLJWZXZQVHTAP-SFHVURJKSA-N 1 2 341.455 2.601 20 70 EFIDLO Cc1cccc([C@H]2CCC[N@@H+]2[C@@H]2CCN(CC(F)(F)F)C2=O)n1 ZINC000160273925 473104213 /nfs/dbraw/zinc/10/42/13/473104213.db2.gz MBRHEYACRPWNRH-ZIAGYGMSSA-N 1 2 327.350 2.690 20 70 EFIDLO Cc1cccc([C@H]2CCC[N@H+]2[C@@H]2CCN(CC(F)(F)F)C2=O)n1 ZINC000160273925 473104217 /nfs/dbraw/zinc/10/42/17/473104217.db2.gz MBRHEYACRPWNRH-ZIAGYGMSSA-N 1 2 327.350 2.690 20 70 EFIDLO C[N@H+](Cc1nc(-c2c(F)cccc2F)cs1)CC(C)(CO)CO ZINC000160324707 473108475 /nfs/dbraw/zinc/10/84/75/473108475.db2.gz JUIABZBFIIKSJQ-UHFFFAOYSA-N 1 2 342.411 2.511 20 70 EFIDLO C[N@@H+](Cc1nc(-c2c(F)cccc2F)cs1)CC(C)(CO)CO ZINC000160324707 473108483 /nfs/dbraw/zinc/10/84/83/473108483.db2.gz JUIABZBFIIKSJQ-UHFFFAOYSA-N 1 2 342.411 2.511 20 70 EFIDLO CCOC(=O)CN(CCc1ccccc1)Cc1c[nH+]c2ccccn12 ZINC000160361971 473112769 /nfs/dbraw/zinc/11/27/69/473112769.db2.gz CLQSLWSTDCWPDG-UHFFFAOYSA-N 1 2 337.423 2.942 20 70 EFIDLO CN(C)c1ncc(C[N@H+](C)Cc2ccccc2Br)cn1 ZINC000160384239 473115799 /nfs/dbraw/zinc/11/57/99/473115799.db2.gz BTLBCZGLBBOGPX-UHFFFAOYSA-N 1 2 335.249 2.937 20 70 EFIDLO CN(C)c1ncc(C[N@@H+](C)Cc2ccccc2Br)cn1 ZINC000160384239 473115802 /nfs/dbraw/zinc/11/58/02/473115802.db2.gz BTLBCZGLBBOGPX-UHFFFAOYSA-N 1 2 335.249 2.937 20 70 EFIDLO Cc1ccc(-c2nc(NC(=O)c3cccc(-n4cc[nH+]c4)c3)n[nH]2)o1 ZINC000160425964 473122454 /nfs/dbraw/zinc/12/24/54/473122454.db2.gz JHGDOLHVYFXZQE-UHFFFAOYSA-N 1 2 334.339 2.811 20 70 EFIDLO Cc1c(C(=O)NCCCNc2cccc[nH+]2)cnn1CCC(C)C ZINC000160434779 473124241 /nfs/dbraw/zinc/12/42/41/473124241.db2.gz UNJRTSQHFHAELX-UHFFFAOYSA-N 1 2 329.448 2.865 20 70 EFIDLO CC(=O)Nc1cc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)ccc1Cl ZINC000160543453 473139456 /nfs/dbraw/zinc/13/94/56/473139456.db2.gz ZTIVBKHDMHFKSI-LLVKDONJSA-N 1 2 332.791 2.696 20 70 EFIDLO CC[N@H+](Cc1cnc(-c2cccs2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000160568612 473143922 /nfs/dbraw/zinc/14/39/22/473143922.db2.gz NAFYLXVGZIYBFI-LLVKDONJSA-N 1 2 342.511 2.881 20 70 EFIDLO CC[N@@H+](Cc1cnc(-c2cccs2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000160568612 473143923 /nfs/dbraw/zinc/14/39/23/473143923.db2.gz NAFYLXVGZIYBFI-LLVKDONJSA-N 1 2 342.511 2.881 20 70 EFIDLO CCc1cc(=O)[nH]c(C[N@H+](C)Cc2ccccc2N2CCCC2)n1 ZINC000160588585 473147736 /nfs/dbraw/zinc/14/77/36/473147736.db2.gz OHLWVTCGGOIHBK-UHFFFAOYSA-N 1 2 326.444 2.977 20 70 EFIDLO CCc1cc(=O)[nH]c(C[N@@H+](C)Cc2ccccc2N2CCCC2)n1 ZINC000160588585 473147741 /nfs/dbraw/zinc/14/77/41/473147741.db2.gz OHLWVTCGGOIHBK-UHFFFAOYSA-N 1 2 326.444 2.977 20 70 EFIDLO c1csc(N2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)c1 ZINC000160674154 473158690 /nfs/dbraw/zinc/15/86/90/473158690.db2.gz PVAVTKDFZCWOBC-UHFFFAOYSA-N 1 2 329.473 2.855 20 70 EFIDLO c1csc(N2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)c1 ZINC000160674154 473158696 /nfs/dbraw/zinc/15/86/96/473158696.db2.gz PVAVTKDFZCWOBC-UHFFFAOYSA-N 1 2 329.473 2.855 20 70 EFIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](C)C[C@H]3CCCCO3)c2c1 ZINC000160667653 473159613 /nfs/dbraw/zinc/15/96/13/473159613.db2.gz ILLUYMWGPGTFTE-CQSZACIVSA-N 1 2 344.411 2.638 20 70 EFIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+](C)C[C@H]3CCCCO3)c2c1 ZINC000160667653 473159621 /nfs/dbraw/zinc/15/96/21/473159621.db2.gz ILLUYMWGPGTFTE-CQSZACIVSA-N 1 2 344.411 2.638 20 70 EFIDLO COC(=O)c1csc(NC(=O)NCCc2cn3ccccc3[nH+]2)c1 ZINC000160693019 473161480 /nfs/dbraw/zinc/16/14/80/473161480.db2.gz SWZHTCWEQGXCON-UHFFFAOYSA-N 1 2 344.396 2.547 20 70 EFIDLO CC(C)CO[C@H](C)c1noc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)n1 ZINC000160715925 473166276 /nfs/dbraw/zinc/16/62/76/473166276.db2.gz VAHAIPKHWJNITH-IIDMSEBBSA-N 1 2 337.464 2.930 20 70 EFIDLO CC(C)CO[C@H](C)c1noc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)n1 ZINC000160715925 473166282 /nfs/dbraw/zinc/16/62/82/473166282.db2.gz VAHAIPKHWJNITH-IIDMSEBBSA-N 1 2 337.464 2.930 20 70 EFIDLO CCc1nn(C)c(Cl)c1C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000160754445 473171588 /nfs/dbraw/zinc/17/15/88/473171588.db2.gz RTUKUPDETVDRHK-UHFFFAOYSA-N 1 2 349.866 2.807 20 70 EFIDLO CC(C)(C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)C1CCCC1 ZINC000160871011 473186143 /nfs/dbraw/zinc/18/61/43/473186143.db2.gz SLZLEVWUYUGOHK-GOSISDBHSA-N 1 2 340.533 2.527 20 70 EFIDLO CC1(C)C[N@@H+]([C@@H](C(N)=O)c2cccc(Br)c2)CCS1 ZINC000160907096 473189295 /nfs/dbraw/zinc/18/92/95/473189295.db2.gz PUHACHGXQDOICQ-GFCCVEGCSA-N 1 2 343.290 2.803 20 70 EFIDLO CC1(C)C[N@H+]([C@@H](C(N)=O)c2cccc(Br)c2)CCS1 ZINC000160907096 473189299 /nfs/dbraw/zinc/18/92/99/473189299.db2.gz PUHACHGXQDOICQ-GFCCVEGCSA-N 1 2 343.290 2.803 20 70 EFIDLO C[C@H]1CC(=O)CC[C@H]1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000160938118 473192398 /nfs/dbraw/zinc/19/23/98/473192398.db2.gz SFAQFWOEYDEKOZ-DQHWKFJXSA-N 1 2 340.467 2.849 20 70 EFIDLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1nc(C)ccc1O ZINC000160939537 473193471 /nfs/dbraw/zinc/19/34/71/473193471.db2.gz MYUGKFCSYVWZGF-UHFFFAOYSA-N 1 2 349.818 2.828 20 70 EFIDLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1nc(C)ccc1O ZINC000160939537 473193473 /nfs/dbraw/zinc/19/34/73/473193473.db2.gz MYUGKFCSYVWZGF-UHFFFAOYSA-N 1 2 349.818 2.828 20 70 EFIDLO O=C(c1cccc(F)n1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000161012041 473199143 /nfs/dbraw/zinc/19/91/43/473199143.db2.gz GPVFDYLIONISCG-UHFFFAOYSA-N 1 2 333.794 2.832 20 70 EFIDLO CC[N@H+](Cc1ccccn1)[C@H]1CCN(c2ccccc2OC)C1=O ZINC000161063538 473203911 /nfs/dbraw/zinc/20/39/11/473203911.db2.gz HNXRPNPXIXSYSR-KRWDZBQOSA-N 1 2 325.412 2.718 20 70 EFIDLO CC[N@@H+](Cc1ccccn1)[C@H]1CCN(c2ccccc2OC)C1=O ZINC000161063538 473203913 /nfs/dbraw/zinc/20/39/13/473203913.db2.gz HNXRPNPXIXSYSR-KRWDZBQOSA-N 1 2 325.412 2.718 20 70 EFIDLO CS[C@@H](C)CNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000159913693 533912788 /nfs/dbraw/zinc/91/27/88/533912788.db2.gz QBHLTCRVHHQYGO-GWCFXTLKSA-N 1 2 331.432 2.618 20 70 EFIDLO COc1cc(/C=C/C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)ccc1F ZINC000161472689 521930990 /nfs/dbraw/zinc/93/09/90/521930990.db2.gz KVTNPPROCHICJV-PMGBHYCQSA-N 1 2 341.386 2.638 20 70 EFIDLO Cc1csc(-c2cccc(C(=O)N[C@H](C)C[NH+]3CCOCC3)c2)n1 ZINC000159905997 534762833 /nfs/dbraw/zinc/76/28/33/534762833.db2.gz LLVHCNRRTHGKLE-CYBMUJFWSA-N 1 2 345.468 2.569 20 70 EFIDLO CC(=O)N(C)C1CC[NH+]([C@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000159663876 526462867 /nfs/dbraw/zinc/46/28/67/526462867.db2.gz PULLEKSDMZCXPT-CQSZACIVSA-N 1 2 342.443 2.664 20 70 EFIDLO O=C(NCc1cccc(Br)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000159379635 526709717 /nfs/dbraw/zinc/70/97/17/526709717.db2.gz FJDQSHLABAPKAR-LBPRGKRZSA-N 1 2 334.217 2.524 20 70 EFIDLO Cn1cc(/C=C/C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c2ccccc21 ZINC000161244386 527143242 /nfs/dbraw/zinc/14/32/42/527143242.db2.gz RGDDNLVWAJMRPZ-OAGJVSPASA-N 1 2 346.434 2.982 20 70 EFIDLO CCC[C@@H]1CN(C(=O)NCCCn2c(C)[nH+]c3ccccc32)CCO1 ZINC000160075329 527778516 /nfs/dbraw/zinc/77/85/16/527778516.db2.gz UEOHTCHEIAPQTC-MRXNPFEDSA-N 1 2 344.459 2.945 20 70 EFIDLO CCC[C@H]1CN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CCO1 ZINC000160098374 528395292 /nfs/dbraw/zinc/39/52/92/528395292.db2.gz BQTCEDOSBVTCJM-AWEZNQCLSA-N 1 2 336.823 2.698 20 70 EFIDLO CCCn1c(C)nnc1C[NH+]1CCN(c2ccc(CC)cc2)CC1 ZINC000159975874 528815282 /nfs/dbraw/zinc/81/52/82/528815282.db2.gz ZEYXLKAXSDCFEN-UHFFFAOYSA-N 1 2 327.476 2.881 20 70 EFIDLO CCOC(=O)NCCCC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000159385799 529078078 /nfs/dbraw/zinc/07/80/78/529078078.db2.gz UEFXPYMJYXPBFM-UHFFFAOYSA-N 1 2 330.388 2.552 20 70 EFIDLO CC[C@@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1c(C)noc1C ZINC000160240837 529281607 /nfs/dbraw/zinc/28/16/07/529281607.db2.gz XPMMDOGJGYSMCG-MRXNPFEDSA-N 1 2 342.443 2.965 20 70 EFIDLO CC[C@H]1C[N@H+](CC(=O)c2c[nH]c3ccc(C(=O)OC)cc32)CCS1 ZINC000161327180 529286726 /nfs/dbraw/zinc/28/67/26/529286726.db2.gz GEIXFRNNSPBSGA-ZDUSSCGKSA-N 1 2 346.452 2.965 20 70 EFIDLO CC[C@H]1C[N@@H+](CC(=O)c2c[nH]c3ccc(C(=O)OC)cc32)CCS1 ZINC000161327180 529286728 /nfs/dbraw/zinc/28/67/28/529286728.db2.gz GEIXFRNNSPBSGA-ZDUSSCGKSA-N 1 2 346.452 2.965 20 70 EFIDLO CC(C)Oc1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000218082271 577226288 /nfs/dbraw/zinc/22/62/88/577226288.db2.gz KGVCURRAVGBBDZ-INIZCTEOSA-N 1 2 325.412 2.878 20 70 EFIDLO CN(c1ccccc1)C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000160108068 530035641 /nfs/dbraw/zinc/03/56/41/530035641.db2.gz WHXUCXNFLWYTRY-INIZCTEOSA-N 1 2 338.455 2.573 20 70 EFIDLO Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)c(C)c1 ZINC000159416379 206245461 /nfs/dbraw/zinc/24/54/61/206245461.db2.gz UNUXBAJOEOTNMB-UHFFFAOYSA-N 1 2 338.455 2.726 20 70 EFIDLO C[C@H](c1cccc(Cl)c1)[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000159434855 206245991 /nfs/dbraw/zinc/24/59/91/206245991.db2.gz ASJMNOVGZIKXLE-CYBMUJFWSA-N 1 2 345.830 2.547 20 70 EFIDLO C[NH+](C)[C@@H](CNC(=O)CCCn1cccc1)c1c(F)cccc1F ZINC000159557317 206252080 /nfs/dbraw/zinc/25/20/80/206252080.db2.gz TWIHESYFLLBBAA-INIZCTEOSA-N 1 2 335.398 2.966 20 70 EFIDLO CSc1ccc(NC(=O)[C@@H](C)SCC[NH+]2CCOCC2)cc1 ZINC000159827255 206265349 /nfs/dbraw/zinc/26/53/49/206265349.db2.gz PGNMHJRXVAHCSW-CYBMUJFWSA-N 1 2 340.514 2.801 20 70 EFIDLO Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000159862388 206266404 /nfs/dbraw/zinc/26/64/04/206266404.db2.gz NQXXBSUBGYDEIO-IAGOWNOFSA-N 1 2 341.480 2.899 20 70 EFIDLO O=C(Nc1ccc(F)c(F)c1F)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159880572 206268795 /nfs/dbraw/zinc/26/87/95/206268795.db2.gz SSVDZVXJRYWJDS-JTQLQIEISA-N 1 2 336.317 2.899 20 70 EFIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)Nc1cc(Cl)ccc1F ZINC000159979799 206273447 /nfs/dbraw/zinc/27/34/47/206273447.db2.gz JFOLKWFSDMKDRA-LLVKDONJSA-N 1 2 346.855 2.872 20 70 EFIDLO CC[C@@H](CC(=O)NC[C@H](C)[NH+]1CCN(C)CC1)c1ccc(C)cc1 ZINC000160154236 206281435 /nfs/dbraw/zinc/28/14/35/206281435.db2.gz GKZZIGLXJYQXFM-ROUUACIJSA-N 1 2 331.504 2.631 20 70 EFIDLO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cncs1 ZINC000160212319 206284439 /nfs/dbraw/zinc/28/44/39/206284439.db2.gz AKRMSTMQBMGACS-UHFFFAOYSA-N 1 2 332.429 2.562 20 70 EFIDLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cncs1 ZINC000160212319 206284443 /nfs/dbraw/zinc/28/44/43/206284443.db2.gz AKRMSTMQBMGACS-UHFFFAOYSA-N 1 2 332.429 2.562 20 70 EFIDLO CCc1cc(=O)[nH]c(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)n1 ZINC000160573656 206304326 /nfs/dbraw/zinc/30/43/26/206304326.db2.gz MCISHTAHRZWCDG-AWEZNQCLSA-N 1 2 333.457 2.987 20 70 EFIDLO CCc1cc(=O)[nH]c(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)n1 ZINC000160573656 206304329 /nfs/dbraw/zinc/30/43/29/206304329.db2.gz MCISHTAHRZWCDG-AWEZNQCLSA-N 1 2 333.457 2.987 20 70 EFIDLO CC[N@H+](Cc1ccc(F)c(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000160557574 206303417 /nfs/dbraw/zinc/30/34/17/206303417.db2.gz XEKPBLPZJZVHJP-NSHDSACASA-N 1 2 339.354 2.854 20 70 EFIDLO CC[N@@H+](Cc1ccc(F)c(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000160557574 206303421 /nfs/dbraw/zinc/30/34/21/206303421.db2.gz XEKPBLPZJZVHJP-NSHDSACASA-N 1 2 339.354 2.854 20 70 EFIDLO Cc1cc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)ccc1N(C)C ZINC000160676972 206307953 /nfs/dbraw/zinc/30/79/53/206307953.db2.gz BLYHSLIQVBNGKP-MRXNPFEDSA-N 1 2 339.443 2.856 20 70 EFIDLO CC(C)(C)c1nc(CCNC(=O)Cc2cn3ccccc3[nH+]2)cs1 ZINC000160723340 206309951 /nfs/dbraw/zinc/30/99/51/206309951.db2.gz XVNJIEVIOVADCO-UHFFFAOYSA-N 1 2 342.468 2.990 20 70 EFIDLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+](C)Cc1cccnc1 ZINC000160769905 206313010 /nfs/dbraw/zinc/31/30/10/206313010.db2.gz DVKJXARTIDRAMP-UHFFFAOYSA-N 1 2 347.440 2.617 20 70 EFIDLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+](C)Cc1cccnc1 ZINC000160769905 206313014 /nfs/dbraw/zinc/31/30/14/206313014.db2.gz DVKJXARTIDRAMP-UHFFFAOYSA-N 1 2 347.440 2.617 20 70 EFIDLO CCCC[N@H+](Cc1cc(F)c(F)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000160789919 206314203 /nfs/dbraw/zinc/31/42/03/206314203.db2.gz OAYKCSKVUYROCE-LBPRGKRZSA-N 1 2 335.391 2.893 20 70 EFIDLO CCCC[N@@H+](Cc1cc(F)c(F)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000160789919 206314209 /nfs/dbraw/zinc/31/42/09/206314209.db2.gz OAYKCSKVUYROCE-LBPRGKRZSA-N 1 2 335.391 2.893 20 70 EFIDLO C[C@@H]1CC(=O)CC[C@@H]1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000160937745 206319884 /nfs/dbraw/zinc/31/98/84/206319884.db2.gz SFAQFWOEYDEKOZ-IFKDRHBRSA-N 1 2 340.467 2.849 20 70 EFIDLO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccco1 ZINC000161124995 206330198 /nfs/dbraw/zinc/33/01/98/206330198.db2.gz HOMHEISOZCOEMJ-INIZCTEOSA-N 1 2 345.395 2.959 20 70 EFIDLO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccco1 ZINC000161124995 206330202 /nfs/dbraw/zinc/33/02/02/206330202.db2.gz HOMHEISOZCOEMJ-INIZCTEOSA-N 1 2 345.395 2.959 20 70 EFIDLO CC(C)S(=O)(=O)CCC[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000160628295 206306181 /nfs/dbraw/zinc/30/61/81/206306181.db2.gz HJMSXLOUOOQLBW-UHFFFAOYSA-N 1 2 337.485 2.795 20 70 EFIDLO O=C(c1ccnc(F)c1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161337040 206341909 /nfs/dbraw/zinc/34/19/09/206341909.db2.gz BFDQNUKRFPIQNT-UHFFFAOYSA-N 1 2 333.794 2.832 20 70 EFIDLO CC(C)Cc1nc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cs1 ZINC000161386606 206344115 /nfs/dbraw/zinc/34/41/15/206344115.db2.gz RYJPLXJFEONXAD-CYBMUJFWSA-N 1 2 330.457 2.745 20 70 EFIDLO CC1=C(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)CCCO1 ZINC000161394568 206346194 /nfs/dbraw/zinc/34/61/94/206346194.db2.gz CLCSMGDNGWNREF-MRXNPFEDSA-N 1 2 329.375 2.849 20 70 EFIDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(N(C)C)nc1 ZINC000160253748 544803829 /nfs/dbraw/zinc/80/38/29/544803829.db2.gz QUKQOAYCTGDEAA-UHFFFAOYSA-N 1 2 348.397 2.886 20 70 EFIDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(N(C)C)nc1 ZINC000160253748 544803831 /nfs/dbraw/zinc/80/38/31/544803831.db2.gz QUKQOAYCTGDEAA-UHFFFAOYSA-N 1 2 348.397 2.886 20 70 EFIDLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2c2c(F)c(F)nc(F)c2F)C[C@H](C)O1 ZINC000160502406 297020129 /nfs/dbraw/zinc/02/01/29/297020129.db2.gz RHVJUNJSBIILBF-AXFHLTTASA-N 1 2 347.356 2.716 20 70 EFIDLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2c2c(F)c(F)nc(F)c2F)C[C@H](C)O1 ZINC000160502406 297020133 /nfs/dbraw/zinc/02/01/33/297020133.db2.gz RHVJUNJSBIILBF-AXFHLTTASA-N 1 2 347.356 2.716 20 70 EFIDLO CC(C)[C@@H](SCC[NH+]1CCOCC1)C(=O)NC1CCCCCC1 ZINC000159785152 310691673 /nfs/dbraw/zinc/69/16/73/310691673.db2.gz CFFKVQYGQGLXBE-QGZVFWFLSA-N 1 2 342.549 2.915 20 70 EFIDLO CC(C)(C)CCC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000159850295 310692195 /nfs/dbraw/zinc/69/21/95/310692195.db2.gz IVWAVQSUCMQRQT-GOSISDBHSA-N 1 2 332.488 2.872 20 70 EFIDLO O=C(CCNC(=O)C1CCCCC1)Nc1ccccc1-n1cc[nH+]c1 ZINC000159915290 310692818 /nfs/dbraw/zinc/69/28/18/310692818.db2.gz PAYNAIFSTYSCEQ-UHFFFAOYSA-N 1 2 340.427 2.897 20 70 EFIDLO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)SCC[NH+]1CCOCC1 ZINC000159978981 310693687 /nfs/dbraw/zinc/69/36/87/310693687.db2.gz ZHTYPMBQDHKYCO-HZPDHXFCSA-N 1 2 336.501 2.626 20 70 EFIDLO O=C(Nc1ccn(-c2ccccc2)n1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160350475 310697748 /nfs/dbraw/zinc/69/77/48/310697748.db2.gz ZABHXTTTYUMJKJ-OAHLLOKOSA-N 1 2 348.410 2.668 20 70 EFIDLO Cc1c(/C=C/C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cnn1C ZINC000160565961 310700538 /nfs/dbraw/zinc/70/05/38/310700538.db2.gz OSHURCNSOKOVJT-ZZXKWVIFSA-N 1 2 325.347 2.705 20 70 EFIDLO Cc1cc(Cl)cc(C)c1C[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000160968178 310704555 /nfs/dbraw/zinc/70/45/55/310704555.db2.gz AOGVYSLWLIKLSP-QGZVFWFLSA-N 1 2 336.863 2.780 20 70 EFIDLO COc1cc(C[NH2+]C2(c3noc(C)n3)CCCC2)cc(OC)c1OC ZINC000161366720 310708802 /nfs/dbraw/zinc/70/88/02/310708802.db2.gz WZACBSJPYJQDHB-UHFFFAOYSA-N 1 2 347.415 2.963 20 70 EFIDLO CC(=O)NC1CCC([NH2+]c2ccc(N3CCOCC3)cc2C)CC1 ZINC000161078888 473204825 /nfs/dbraw/zinc/20/48/25/473204825.db2.gz DZZMZXTUDVBXJH-UHFFFAOYSA-N 1 2 331.460 2.691 20 70 EFIDLO CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+](CC)Cc1cnn(C)c1 ZINC000161093978 473206399 /nfs/dbraw/zinc/20/63/99/473206399.db2.gz GZBSPTYKCPCQFT-SFHVURJKSA-N 1 2 328.460 2.852 20 70 EFIDLO CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+](CC)Cc1cnn(C)c1 ZINC000161093978 473206402 /nfs/dbraw/zinc/20/64/02/473206402.db2.gz GZBSPTYKCPCQFT-SFHVURJKSA-N 1 2 328.460 2.852 20 70 EFIDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000161115912 473207969 /nfs/dbraw/zinc/20/79/69/473207969.db2.gz OWLWQTFRIMLXBE-CYBMUJFWSA-N 1 2 332.473 2.991 20 70 EFIDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000161115912 473207973 /nfs/dbraw/zinc/20/79/73/473207973.db2.gz OWLWQTFRIMLXBE-CYBMUJFWSA-N 1 2 332.473 2.991 20 70 EFIDLO CC[N@H+](CCCNC(=O)NCc1ccccc1CO)c1ccccc1 ZINC000161120741 473208944 /nfs/dbraw/zinc/20/89/44/473208944.db2.gz SORRSDVTQXQIER-UHFFFAOYSA-N 1 2 341.455 2.895 20 70 EFIDLO CC[N@@H+](CCCNC(=O)NCc1ccccc1CO)c1ccccc1 ZINC000161120741 473208947 /nfs/dbraw/zinc/20/89/47/473208947.db2.gz SORRSDVTQXQIER-UHFFFAOYSA-N 1 2 341.455 2.895 20 70 EFIDLO CCN(C(=O)C[N@H+](CC)Cc1cnn(C)c1)[C@@H](C)c1ccc(F)cc1 ZINC000161129635 473210212 /nfs/dbraw/zinc/21/02/12/473210212.db2.gz JGJKYDWFGLSAMK-HNNXBMFYSA-N 1 2 346.450 2.991 20 70 EFIDLO CCN(C(=O)C[N@@H+](CC)Cc1cnn(C)c1)[C@@H](C)c1ccc(F)cc1 ZINC000161129635 473210214 /nfs/dbraw/zinc/21/02/14/473210214.db2.gz JGJKYDWFGLSAMK-HNNXBMFYSA-N 1 2 346.450 2.991 20 70 EFIDLO CCn1c2ccccc2nc1[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161294847 473224780 /nfs/dbraw/zinc/22/47/80/473224780.db2.gz IGABSDVHARNJHL-UONOGXRCSA-N 1 2 337.427 2.693 20 70 EFIDLO O=C1[C@H]([N@@H+]2CCOC3(CCCC3)C2)CCCN1c1ccccc1F ZINC000161390774 473232298 /nfs/dbraw/zinc/23/22/98/473232298.db2.gz QGADCLQWTIWWIF-QGZVFWFLSA-N 1 2 332.419 2.966 20 70 EFIDLO O=C1[C@H]([N@H+]2CCOC3(CCCC3)C2)CCCN1c1ccccc1F ZINC000161390774 473232303 /nfs/dbraw/zinc/23/23/03/473232303.db2.gz QGADCLQWTIWWIF-QGZVFWFLSA-N 1 2 332.419 2.966 20 70 EFIDLO O=C(NCc1cccc(Br)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159379511 473022777 /nfs/dbraw/zinc/02/27/77/473022777.db2.gz FJDQSHLABAPKAR-GFCCVEGCSA-N 1 2 334.217 2.524 20 70 EFIDLO C[C@H]1CCC[C@H](CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000159591318 473042242 /nfs/dbraw/zinc/04/22/42/473042242.db2.gz UXDYMFWEBZNDEU-IRXDYDNUSA-N 1 2 330.476 2.735 20 70 EFIDLO Cc1cc(C)n(-c2ccccc2NC(=O)[C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000159627265 473045187 /nfs/dbraw/zinc/04/51/87/473045187.db2.gz BAYKQBMZBBBKFG-OAHLLOKOSA-N 1 2 335.411 2.887 20 70 EFIDLO CC(C)(C)CCNC(=O)C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159638753 473046594 /nfs/dbraw/zinc/04/65/94/473046594.db2.gz UOMNOSGPDJOWEX-HXUWFJFHSA-N 1 2 330.472 2.713 20 70 EFIDLO CC(C)(C)CCNC(=O)C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159638753 473046600 /nfs/dbraw/zinc/04/66/00/473046600.db2.gz UOMNOSGPDJOWEX-HXUWFJFHSA-N 1 2 330.472 2.713 20 70 EFIDLO CC[C@@H](c1ccccc1)[N@H+](CCn1c(C)csc1=O)CC(=O)OC ZINC000159656258 473048201 /nfs/dbraw/zinc/04/82/01/473048201.db2.gz FHWGXVFEYVSAGU-INIZCTEOSA-N 1 2 348.468 2.845 20 70 EFIDLO CC[C@@H](c1ccccc1)[N@@H+](CCn1c(C)csc1=O)CC(=O)OC ZINC000159656258 473048205 /nfs/dbraw/zinc/04/82/05/473048205.db2.gz FHWGXVFEYVSAGU-INIZCTEOSA-N 1 2 348.468 2.845 20 70 EFIDLO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159671411 473050196 /nfs/dbraw/zinc/05/01/96/473050196.db2.gz SWFRPHYOYODMCE-WIYYLYMNSA-N 1 2 342.483 2.951 20 70 EFIDLO CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159671411 473050204 /nfs/dbraw/zinc/05/02/04/473050204.db2.gz SWFRPHYOYODMCE-WIYYLYMNSA-N 1 2 342.483 2.951 20 70 EFIDLO Cc1ccc2[nH+]c(CSCC(=O)Nc3c[nH]c(=O)c(C)c3)cn2c1 ZINC000159736279 473056602 /nfs/dbraw/zinc/05/66/02/473056602.db2.gz QHIUIXIMIYLKLT-UHFFFAOYSA-N 1 2 342.424 2.511 20 70 EFIDLO C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000159798005 473061485 /nfs/dbraw/zinc/06/14/85/473061485.db2.gz UPUQMJYZWMMWNO-ZIFCJYIRSA-N 1 2 345.487 2.575 20 70 EFIDLO C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000159798005 473061494 /nfs/dbraw/zinc/06/14/94/473061494.db2.gz UPUQMJYZWMMWNO-ZIFCJYIRSA-N 1 2 345.487 2.575 20 70 EFIDLO Cc1cccc([C@H]2CCC[N@H+]2Cc2csc(CC(=O)N(C)C)n2)n1 ZINC000159844758 473066227 /nfs/dbraw/zinc/06/62/27/473066227.db2.gz KTONRXSQMVHCIG-MRXNPFEDSA-N 1 2 344.484 2.814 20 70 EFIDLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2csc(CC(=O)N(C)C)n2)n1 ZINC000159844758 473066233 /nfs/dbraw/zinc/06/62/33/473066233.db2.gz KTONRXSQMVHCIG-MRXNPFEDSA-N 1 2 344.484 2.814 20 70 EFIDLO O=C1[C@H](SCC[NH+]2CCOCC2)CCN1c1ccc(Cl)cc1 ZINC000159845862 473066640 /nfs/dbraw/zinc/06/66/40/473066640.db2.gz IFUBYWGIHHNJBQ-OAHLLOKOSA-N 1 2 340.876 2.511 20 70 EFIDLO CCCC[C@H](SCC[NH+]1CCOCC1)C(=O)Nc1cc(C)on1 ZINC000159868763 473067607 /nfs/dbraw/zinc/06/76/07/473067607.db2.gz KIAXVTULRVATQU-AWEZNQCLSA-N 1 2 341.477 2.546 20 70 EFIDLO CC[N@@H+](Cc1ccc(OC)c(O)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159891499 473070417 /nfs/dbraw/zinc/07/04/17/473070417.db2.gz DLRWNWDZRIMLQZ-UHFFFAOYSA-N 1 2 339.395 2.659 20 70 EFIDLO CC[N@H+](Cc1ccc(OC)c(O)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159891499 473070424 /nfs/dbraw/zinc/07/04/24/473070424.db2.gz DLRWNWDZRIMLQZ-UHFFFAOYSA-N 1 2 339.395 2.659 20 70 EFIDLO c1cn(CCSc2ncnc3c2cnn3Cc2ccccc2)c[nH+]1 ZINC000160197039 473094905 /nfs/dbraw/zinc/09/49/05/473094905.db2.gz IQQWKUAXYIWTLK-UHFFFAOYSA-N 1 2 336.424 2.863 20 70 EFIDLO O=C(NCc1ccc(Br)cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160226898 473097784 /nfs/dbraw/zinc/09/77/84/473097784.db2.gz VSTCJZQKZBQONT-LBPRGKRZSA-N 1 2 334.217 2.524 20 70 EFIDLO COc1cc(OC)cc([C@@H](NC(=O)C2=CCCC2)c2[nH+]ccn2C)c1 ZINC000160248066 473101420 /nfs/dbraw/zinc/10/14/20/473101420.db2.gz ZDSRXMIGLHXUPR-QGZVFWFLSA-N 1 2 341.411 2.753 20 70 EFIDLO CCc1nnc(C[NH2+][C@H](CC(=O)OC(C)C)c2ccc(C)cc2)[nH]1 ZINC000160283996 473104713 /nfs/dbraw/zinc/10/47/13/473104713.db2.gz KIHUTQLAGZLKRH-OAHLLOKOSA-N 1 2 330.432 2.848 20 70 EFIDLO Cc1cccc2nc(CNC(=O)CCn3cc[nH+]c3C(C)C)[nH]c21 ZINC000160315116 473107519 /nfs/dbraw/zinc/10/75/19/473107519.db2.gz NNAJZGSJUXKIGJ-UHFFFAOYSA-N 1 2 325.416 2.898 20 70 EFIDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2cccc3c2oc(=O)n3C)c1 ZINC000160322500 473108206 /nfs/dbraw/zinc/10/82/06/473108206.db2.gz DGJKNYKCCGQHHC-UHFFFAOYSA-N 1 2 348.362 2.784 20 70 EFIDLO O=C(c1ccc(Cl)cc1F)N1CC[NH+](CCOCC2CC2)CC1 ZINC000160326865 473108916 /nfs/dbraw/zinc/10/89/16/473108916.db2.gz QZQXYDCLJDAXHP-UHFFFAOYSA-N 1 2 340.826 2.664 20 70 EFIDLO CC[C@@H](C)NC(=O)c1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000160367635 473112981 /nfs/dbraw/zinc/11/29/81/473112981.db2.gz ZRKWAXHMPMASLS-HIFRSBDPSA-N 1 2 340.427 2.613 20 70 EFIDLO O=C(N[C@H]1C[C@@H]1C1CCCCC1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160383320 473114118 /nfs/dbraw/zinc/11/41/18/473114118.db2.gz NCJACRRBGCFBKV-MOPGFXCFSA-N 1 2 342.487 2.878 20 70 EFIDLO O=C(N[C@H]1C[C@H]1C1CCCCC1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160383576 473114365 /nfs/dbraw/zinc/11/43/65/473114365.db2.gz NCJACRRBGCFBKV-OALUTQOASA-N 1 2 342.487 2.878 20 70 EFIDLO Cc1cc(Cl)ccc1OCCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160437331 473124263 /nfs/dbraw/zinc/12/42/63/473124263.db2.gz NYCNUURSZZSILL-CQSZACIVSA-N 1 2 347.846 2.993 20 70 EFIDLO COCCCCN(Cc1ccccc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160453458 473127263 /nfs/dbraw/zinc/12/72/63/473127263.db2.gz RBGBWIZYLBCPRM-SFHVURJKSA-N 1 2 341.455 2.901 20 70 EFIDLO O=C(c1c(F)cccc1Cl)N1CC[NH+](CCOCC2CC2)CC1 ZINC000160463449 473128978 /nfs/dbraw/zinc/12/89/78/473128978.db2.gz WEYXVRWSIAZCAG-UHFFFAOYSA-N 1 2 340.826 2.664 20 70 EFIDLO CN(CC[N@H+](C)CN1C(=O)C[C@@H]1c1ccccc1)C(=O)OC(C)(C)C ZINC000160546576 473140822 /nfs/dbraw/zinc/14/08/22/473140822.db2.gz HSAISZHHEWPVSG-MRXNPFEDSA-N 1 2 347.459 2.716 20 70 EFIDLO CN(CC[N@@H+](C)CN1C(=O)C[C@@H]1c1ccccc1)C(=O)OC(C)(C)C ZINC000160546576 473140828 /nfs/dbraw/zinc/14/08/28/473140828.db2.gz HSAISZHHEWPVSG-MRXNPFEDSA-N 1 2 347.459 2.716 20 70 EFIDLO CN(C)c1ccccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160570067 473143987 /nfs/dbraw/zinc/14/39/87/473143987.db2.gz KHYRNUZKFCUCAC-CQSZACIVSA-N 1 2 325.416 2.548 20 70 EFIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccccc1OC1CCCCC1 ZINC000160604881 473150527 /nfs/dbraw/zinc/15/05/27/473150527.db2.gz UFNDHPQWYOPAFZ-INIZCTEOSA-N 1 2 346.471 2.849 20 70 EFIDLO NC(=O)CC[N@H+](Cc1noc(-c2ccsc2)n1)Cc1ccccc1 ZINC000160614420 473151916 /nfs/dbraw/zinc/15/19/16/473151916.db2.gz CYBQIJYNKMJISN-UHFFFAOYSA-N 1 2 342.424 2.676 20 70 EFIDLO NC(=O)CC[N@@H+](Cc1noc(-c2ccsc2)n1)Cc1ccccc1 ZINC000160614420 473151923 /nfs/dbraw/zinc/15/19/23/473151923.db2.gz CYBQIJYNKMJISN-UHFFFAOYSA-N 1 2 342.424 2.676 20 70 EFIDLO CCC1(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)CCCC1 ZINC000160729948 473167428 /nfs/dbraw/zinc/16/74/28/473167428.db2.gz CMUIOLCBQKHNEF-UHFFFAOYSA-N 1 2 330.476 2.879 20 70 EFIDLO COC(=O)c1csc(NC(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000160816725 473178516 /nfs/dbraw/zinc/17/85/16/473178516.db2.gz CXWOCUHDDQLHAL-UHFFFAOYSA-N 1 2 348.428 2.944 20 70 EFIDLO COC(=O)c1csc(NC(=O)NCc2cn3ccccc3[nH+]2)c1 ZINC000160857384 473183950 /nfs/dbraw/zinc/18/39/50/473183950.db2.gz FBAJTEFQXAZBSS-UHFFFAOYSA-N 1 2 330.369 2.504 20 70 EFIDLO Cn1cc[nH+]c1CN1CCO[C@H](c2cccc(Br)c2)C1 ZINC000160888331 473186972 /nfs/dbraw/zinc/18/69/72/473186972.db2.gz UDKRXSXGMODUIL-AWEZNQCLSA-N 1 2 336.233 2.756 20 70 EFIDLO CCCn1c(C)nnc1C[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000160916294 473191086 /nfs/dbraw/zinc/19/10/86/473191086.db2.gz HKIFCFGIUHHUQP-GOSISDBHSA-N 1 2 328.460 2.830 20 70 EFIDLO CCCn1c(C)nnc1C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000160916294 473191088 /nfs/dbraw/zinc/19/10/88/473191088.db2.gz HKIFCFGIUHHUQP-GOSISDBHSA-N 1 2 328.460 2.830 20 70 EFIDLO O=C(c1cccnc1)N1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000217834480 474143540 /nfs/dbraw/zinc/14/35/40/474143540.db2.gz IJURNMSVTUMDKL-IHWYPQMZSA-N 1 2 325.387 2.692 20 70 EFIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+]3CCSC(C)(C)C3)c2c1 ZINC000161483141 534248327 /nfs/dbraw/zinc/24/83/27/534248327.db2.gz FMFGMNALMIWPJQ-UHFFFAOYSA-N 1 2 346.452 2.965 20 70 EFIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+]3CCSC(C)(C)C3)c2c1 ZINC000161483141 534248331 /nfs/dbraw/zinc/24/83/31/534248331.db2.gz FMFGMNALMIWPJQ-UHFFFAOYSA-N 1 2 346.452 2.965 20 70 EFIDLO CN(C)C(=O)Sc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161362157 524009524 /nfs/dbraw/zinc/00/95/24/524009524.db2.gz SELRDPXWNRHDGE-LBPRGKRZSA-N 1 2 344.440 2.858 20 70 EFIDLO C[C@H]1CCN(C(=O)Cc2ccc(O)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000160962554 524242532 /nfs/dbraw/zinc/24/25/32/524242532.db2.gz WJPOVGGVOSKMOE-LRDDRELGSA-N 1 2 333.819 2.894 20 70 EFIDLO CCOc1ccc([C@@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000159739617 528593129 /nfs/dbraw/zinc/59/31/29/528593129.db2.gz XVVMLSWZZVMXKZ-UKRRQHHQSA-N 1 2 343.427 2.730 20 70 EFIDLO CCC(CC)n1nccc1C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000160750186 528910637 /nfs/dbraw/zinc/91/06/37/528910637.db2.gz JNCOKDKIAOLANK-UHFFFAOYSA-N 1 2 341.459 2.597 20 70 EFIDLO COc1cc2nc(N[C@@H]3CCO[C@@H](C4CC4)C3)[nH+]c(N)c2cc1OC ZINC000160277137 533177677 /nfs/dbraw/zinc/17/76/77/533177677.db2.gz SFYAYDKDIPSBDP-BXUZGUMPSA-N 1 2 344.415 2.599 20 70 EFIDLO COc1ccccc1[C@@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161323638 286510665 /nfs/dbraw/zinc/51/06/65/286510665.db2.gz RINOMNMZQRCWDF-ZBFHGGJFSA-N 1 2 325.412 2.818 20 70 EFIDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000160187161 225357317 /nfs/dbraw/zinc/35/73/17/225357317.db2.gz CWYUAYJFSOVDDR-YDHLFZDLSA-N 1 2 334.445 2.505 20 70 EFIDLO O=C(NCCc1c[nH]c2cc(Cl)ccc12)[C@H]1CCn2cc[nH+]c2C1 ZINC000160886051 544808710 /nfs/dbraw/zinc/80/87/10/544808710.db2.gz YURQPRJVBNPFJM-LBPRGKRZSA-N 1 2 342.830 2.939 20 70 EFIDLO C[N@@H+]1CCc2nc(NC(=O)CCc3ccc(F)cc3F)sc2C1 ZINC000160003939 277188227 /nfs/dbraw/zinc/18/82/27/277188227.db2.gz JTDHGFVBJNKHOT-UHFFFAOYSA-N 1 2 337.395 2.981 20 70 EFIDLO C[N@H+]1CCc2nc(NC(=O)CCc3ccc(F)cc3F)sc2C1 ZINC000160003939 277188229 /nfs/dbraw/zinc/18/82/29/277188229.db2.gz JTDHGFVBJNKHOT-UHFFFAOYSA-N 1 2 337.395 2.981 20 70 EFIDLO CC(C)[C@@H](C(=O)N(C)c1ccc2c(c1)OCO2)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000160182340 279756931 /nfs/dbraw/zinc/75/69/31/279756931.db2.gz CORBZBNPKGIJAV-LBTNJELSSA-N 1 2 348.443 2.512 20 70 EFIDLO C[C@@H]1CC(=O)CC[C@H]1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000159632851 310689331 /nfs/dbraw/zinc/68/93/31/310689331.db2.gz JTOWGIJCMZFHPG-CRAIPNDOSA-N 1 2 339.439 2.595 20 70 EFIDLO C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000159632622 310689431 /nfs/dbraw/zinc/68/94/31/310689431.db2.gz JTOWGIJCMZFHPG-QAPCUYQASA-N 1 2 339.439 2.595 20 70 EFIDLO COc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc(OC)c1O ZINC000159656504 310689553 /nfs/dbraw/zinc/68/95/53/310689553.db2.gz CFOOIJXSBSBHDJ-UHFFFAOYSA-N 1 2 339.351 2.847 20 70 EFIDLO Cc1ccc(NC(=O)[C@H](C)SCC[NH+]2CCOCC2)c(F)c1 ZINC000159782669 310691379 /nfs/dbraw/zinc/69/13/79/310691379.db2.gz QONBQIXSFLAQAS-ZDUSSCGKSA-N 1 2 326.437 2.527 20 70 EFIDLO Cc1cnccc1CCNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000159934275 310693025 /nfs/dbraw/zinc/69/30/25/310693025.db2.gz GBUNWMWOURQCDF-UHFFFAOYSA-N 1 2 335.411 2.618 20 70 EFIDLO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)SCC[NH+]1CCOCC1 ZINC000159979092 310693684 /nfs/dbraw/zinc/69/36/84/310693684.db2.gz ZHTYPMBQDHKYCO-JKSUJKDBSA-N 1 2 336.501 2.626 20 70 EFIDLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)SCC[NH+]1CCOCC1 ZINC000159979302 310693767 /nfs/dbraw/zinc/69/37/67/310693767.db2.gz ZHTYPMBQDHKYCO-HOTGVXAUSA-N 1 2 336.501 2.626 20 70 EFIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)Nc1ccc(F)cc1Cl ZINC000160042355 310694176 /nfs/dbraw/zinc/69/41/76/310694176.db2.gz NPRYDNMORIELOP-LLVKDONJSA-N 1 2 346.855 2.872 20 70 EFIDLO CN1CC[C@H]([NH2+][C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)C1=O ZINC000161273898 310707707 /nfs/dbraw/zinc/70/77/07/310707707.db2.gz XWPDFTWXOJZGEA-OALUTQOASA-N 1 2 347.418 2.912 20 70 EFIDLO CN1CC[C@@H]([NH2+][C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)C1=O ZINC000161274027 310707895 /nfs/dbraw/zinc/70/78/95/310707895.db2.gz XWPDFTWXOJZGEA-MOPGFXCFSA-N 1 2 347.418 2.912 20 70 EFIDLO CCc1c(C(=O)NCCc2cn3ccccc3[nH+]2)cnn1CC(C)C ZINC000161436789 310709183 /nfs/dbraw/zinc/70/91/83/310709183.db2.gz RXNVLJBDAMTJSN-UHFFFAOYSA-N 1 2 339.443 2.722 20 70 EFIDLO COc1cc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc(OC)c1O ZINC000161439440 310709357 /nfs/dbraw/zinc/70/93/57/310709357.db2.gz KUZLVBWQWLCMHR-UHFFFAOYSA-N 1 2 339.351 2.847 20 70 EFIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000161085092 473205597 /nfs/dbraw/zinc/20/55/97/473205597.db2.gz NYGJSBALVTWKEH-AWEZNQCLSA-N 1 2 343.427 2.948 20 70 EFIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000161085092 473205601 /nfs/dbraw/zinc/20/56/01/473205601.db2.gz NYGJSBALVTWKEH-AWEZNQCLSA-N 1 2 343.427 2.948 20 70 EFIDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000161118562 473209625 /nfs/dbraw/zinc/20/96/25/473209625.db2.gz ABBRRXRLVAJKFB-AWEZNQCLSA-N 1 2 337.427 2.817 20 70 EFIDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000161118562 473209631 /nfs/dbraw/zinc/20/96/31/473209631.db2.gz ABBRRXRLVAJKFB-AWEZNQCLSA-N 1 2 337.427 2.817 20 70 EFIDLO CC[N@H+](Cc1ccccn1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000161154569 473212471 /nfs/dbraw/zinc/21/24/71/473212471.db2.gz BRGGRZBVGXSEGK-HNNXBMFYSA-N 1 2 348.244 2.893 20 70 EFIDLO CC[N@@H+](Cc1ccccn1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000161154569 473212479 /nfs/dbraw/zinc/21/24/79/473212479.db2.gz BRGGRZBVGXSEGK-HNNXBMFYSA-N 1 2 348.244 2.893 20 70 EFIDLO Cc1cccc(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000161176519 473214753 /nfs/dbraw/zinc/21/47/53/473214753.db2.gz RLECZHYEAUKRFB-QGZVFWFLSA-N 1 2 338.455 2.535 20 70 EFIDLO CCO[C@H]1CCC[N@H+](CC(=O)c2c[nH]c3ccc(C(=O)OC)cc23)C1 ZINC000161185016 473216426 /nfs/dbraw/zinc/21/64/26/473216426.db2.gz IXPPOKAAJSUAQU-AWEZNQCLSA-N 1 2 344.411 2.638 20 70 EFIDLO CCO[C@H]1CCC[N@@H+](CC(=O)c2c[nH]c3ccc(C(=O)OC)cc23)C1 ZINC000161185016 473216429 /nfs/dbraw/zinc/21/64/29/473216429.db2.gz IXPPOKAAJSUAQU-AWEZNQCLSA-N 1 2 344.411 2.638 20 70 EFIDLO Cn1cc[nH+]c1CS(=O)(=O)Cc1csc(Cc2ccccc2)n1 ZINC000161202392 473216928 /nfs/dbraw/zinc/21/69/28/473216928.db2.gz WDJZWSLOPOGGNT-UHFFFAOYSA-N 1 2 347.465 2.582 20 70 EFIDLO CC[N@H+](Cc1ccccn1)[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000161205062 473217322 /nfs/dbraw/zinc/21/73/22/473217322.db2.gz PBBVIDSBHIAQCA-INIZCTEOSA-N 1 2 331.366 2.987 20 70 EFIDLO CC[N@@H+](Cc1ccccn1)[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000161205062 473217327 /nfs/dbraw/zinc/21/73/27/473217327.db2.gz PBBVIDSBHIAQCA-INIZCTEOSA-N 1 2 331.366 2.987 20 70 EFIDLO CC(C)CCn1ccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000161208758 473217740 /nfs/dbraw/zinc/21/77/40/473217740.db2.gz YKTIWFUVQHEQPV-UHFFFAOYSA-N 1 2 342.447 2.678 20 70 EFIDLO CCc1cccc(NC(=O)CS(=O)(=O)Cc2[nH+]ccn2C(C)C)c1 ZINC000161214711 473218278 /nfs/dbraw/zinc/21/82/78/473218278.db2.gz MHZDWOUQDOWCPK-UHFFFAOYSA-N 1 2 349.456 2.580 20 70 EFIDLO CC[N@H+](Cc1ccccn1)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000161214993 473218366 /nfs/dbraw/zinc/21/83/66/473218366.db2.gz JBXNHDVNYXGFFZ-OAHLLOKOSA-N 1 2 348.244 2.893 20 70 EFIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000161214993 473218369 /nfs/dbraw/zinc/21/83/69/473218369.db2.gz JBXNHDVNYXGFFZ-OAHLLOKOSA-N 1 2 348.244 2.893 20 70 EFIDLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cnc(N(CC)CC)s1 ZINC000161246128 473220125 /nfs/dbraw/zinc/22/01/25/473220125.db2.gz AVBPUCPWYDZHBL-CQSZACIVSA-N 1 2 325.478 2.907 20 70 EFIDLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cnc(N(CC)CC)s1 ZINC000161246128 473220130 /nfs/dbraw/zinc/22/01/30/473220130.db2.gz AVBPUCPWYDZHBL-CQSZACIVSA-N 1 2 325.478 2.907 20 70 EFIDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@]2(C)CCOC2)C[C@@H](C)O1 ZINC000161262561 473221750 /nfs/dbraw/zinc/22/17/50/473221750.db2.gz AROKBLVDMHQRHR-SPYBWZPUSA-N 1 2 347.459 2.596 20 70 EFIDLO CCCN(C)c1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000161292775 473224474 /nfs/dbraw/zinc/22/44/74/473224474.db2.gz AQWVDCYUIKFQMA-KRWDZBQOSA-N 1 2 338.455 2.937 20 70 EFIDLO O=C(Cc1c[nH]c2cc(F)ccc12)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161298128 473224829 /nfs/dbraw/zinc/22/48/29/473224829.db2.gz LDVVDNWJHRBWDY-HNNXBMFYSA-N 1 2 338.386 2.640 20 70 EFIDLO COc1ccccc1[C@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161323748 473226918 /nfs/dbraw/zinc/22/69/18/473226918.db2.gz RINOMNMZQRCWDF-GDBMZVCRSA-N 1 2 325.412 2.818 20 70 EFIDLO CC(C)n1nccc1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000161336354 473227242 /nfs/dbraw/zinc/22/72/42/473227242.db2.gz IJGQWCXPQQFPSL-UHFFFAOYSA-N 1 2 339.399 2.992 20 70 EFIDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1ccnc(Cl)c1F ZINC000161369285 473229819 /nfs/dbraw/zinc/22/98/19/473229819.db2.gz PNEULOMAKSSTLJ-UHFFFAOYSA-N 1 2 334.782 2.799 20 70 EFIDLO CC(C)Cc1nc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cs1 ZINC000161386736 473232137 /nfs/dbraw/zinc/23/21/37/473232137.db2.gz RYJPLXJFEONXAD-ZDUSSCGKSA-N 1 2 330.457 2.745 20 70 EFIDLO C[N@H+](CCOC(C)(C)C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000161433621 473235685 /nfs/dbraw/zinc/23/56/85/473235685.db2.gz XQNGZYZMDDTMFO-CYBMUJFWSA-N 1 2 343.265 2.722 20 70 EFIDLO C[N@@H+](CCOC(C)(C)C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000161433621 473235688 /nfs/dbraw/zinc/23/56/88/473235688.db2.gz XQNGZYZMDDTMFO-CYBMUJFWSA-N 1 2 343.265 2.722 20 70 EFIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Cl)nc1Cl ZINC000161443823 473236296 /nfs/dbraw/zinc/23/62/96/473236296.db2.gz QLQMOLKZPSPULB-SNVBAGLBSA-N 1 2 337.210 2.792 20 70 EFIDLO Cc1nc(COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(C)s1 ZINC000161498976 473239639 /nfs/dbraw/zinc/23/96/39/473239639.db2.gz UXUSMGVBASZLMK-QGZVFWFLSA-N 1 2 346.452 2.704 20 70 EFIDLO Cc1nc(COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C)s1 ZINC000161498976 473239647 /nfs/dbraw/zinc/23/96/47/473239647.db2.gz UXUSMGVBASZLMK-QGZVFWFLSA-N 1 2 346.452 2.704 20 70 EFIDLO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159369257 473022199 /nfs/dbraw/zinc/02/21/99/473022199.db2.gz UKCCMTCBNULKOJ-IIBYNOLFSA-N 1 2 342.483 2.998 20 70 EFIDLO C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159369257 473022204 /nfs/dbraw/zinc/02/22/04/473022204.db2.gz UKCCMTCBNULKOJ-IIBYNOLFSA-N 1 2 342.483 2.998 20 70 EFIDLO O=C(NCc1ccccc1Br)[C@H]1CCn2cc[nH+]c2C1 ZINC000159384312 473023360 /nfs/dbraw/zinc/02/33/60/473023360.db2.gz JLDZJNRPDDFKIM-NSHDSACASA-N 1 2 334.217 2.524 20 70 EFIDLO CCOC(=O)C[N@H+](C)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000159496437 473032849 /nfs/dbraw/zinc/03/28/49/473032849.db2.gz MLCVSAYSDQJYTK-GOSISDBHSA-N 1 2 343.423 2.588 20 70 EFIDLO CCOC(=O)C[N@@H+](C)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000159496437 473032854 /nfs/dbraw/zinc/03/28/54/473032854.db2.gz MLCVSAYSDQJYTK-GOSISDBHSA-N 1 2 343.423 2.588 20 70 EFIDLO CCCCCNC(=O)[C@@H](C)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159582932 473041234 /nfs/dbraw/zinc/04/12/34/473041234.db2.gz QLIKCCPOISAEHY-OXQOHEQNSA-N 1 2 330.472 2.855 20 70 EFIDLO CCCCCNC(=O)[C@@H](C)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159582932 473041239 /nfs/dbraw/zinc/04/12/39/473041239.db2.gz QLIKCCPOISAEHY-OXQOHEQNSA-N 1 2 330.472 2.855 20 70 EFIDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000159699492 473052637 /nfs/dbraw/zinc/05/26/37/473052637.db2.gz RVFCZGSRWFXMFY-UHFFFAOYSA-N 1 2 345.406 2.804 20 70 EFIDLO CCC1(CC)[C@H](NC(=O)NCCc2cn3c([nH+]2)CCCC3)C[C@H]1OC ZINC000159782717 473060708 /nfs/dbraw/zinc/06/07/08/473060708.db2.gz DWPXNWHIAIXTFU-HZPDHXFCSA-N 1 2 348.491 2.655 20 70 EFIDLO CCOCCC1(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)CCC1 ZINC000159781125 473060973 /nfs/dbraw/zinc/06/09/73/473060973.db2.gz HAMDVXJSIZLTES-UHFFFAOYSA-N 1 2 348.491 2.658 20 70 EFIDLO CC[N@H+](Cc1ccc2c[nH]nc2c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159884200 473068580 /nfs/dbraw/zinc/06/85/80/473068580.db2.gz JDCILPPUXRLFDQ-UHFFFAOYSA-N 1 2 333.395 2.822 20 70 EFIDLO CC[N@@H+](Cc1ccc2c[nH]nc2c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159884200 473068587 /nfs/dbraw/zinc/06/85/87/473068587.db2.gz JDCILPPUXRLFDQ-UHFFFAOYSA-N 1 2 333.395 2.822 20 70 EFIDLO CCOC(=O)C1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CCC1 ZINC000159877208 473069365 /nfs/dbraw/zinc/06/93/65/473069365.db2.gz JXEJSIKWLUXDJF-UHFFFAOYSA-N 1 2 331.347 2.683 20 70 EFIDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000159940426 473073968 /nfs/dbraw/zinc/07/39/68/473073968.db2.gz LMJAGLPPFPERMW-CYBMUJFWSA-N 1 2 331.391 2.971 20 70 EFIDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000159940426 473073973 /nfs/dbraw/zinc/07/39/73/473073973.db2.gz LMJAGLPPFPERMW-CYBMUJFWSA-N 1 2 331.391 2.971 20 70 EFIDLO CC(C)(C)c1ccccc1NC(=O)CSCC[NH+]1CCOCC1 ZINC000160045294 473082630 /nfs/dbraw/zinc/08/26/30/473082630.db2.gz FQWQNQQSQDPWPS-UHFFFAOYSA-N 1 2 336.501 2.988 20 70 EFIDLO O=C(NCCc1cn2c([nH+]1)CCCC2)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000160041297 473083466 /nfs/dbraw/zinc/08/34/66/473083466.db2.gz NSTCEBVUPVIRNE-GJZGRUSLSA-N 1 2 345.393 2.960 20 70 EFIDLO COc1ccccc1CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000160130330 473089924 /nfs/dbraw/zinc/08/99/24/473089924.db2.gz LHMOPEVTOQCKDE-CQSZACIVSA-N 1 2 325.412 2.645 20 70 EFIDLO CCOC(=O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000160151193 473091600 /nfs/dbraw/zinc/09/16/00/473091600.db2.gz NKVFHYZUCDGNOQ-CYBMUJFWSA-N 1 2 333.363 2.618 20 70 EFIDLO CCOC(=O)C[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000160151193 473091607 /nfs/dbraw/zinc/09/16/07/473091607.db2.gz NKVFHYZUCDGNOQ-CYBMUJFWSA-N 1 2 333.363 2.618 20 70 EFIDLO CCCOC(=O)[C@H](C)[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000160266718 473102323 /nfs/dbraw/zinc/10/23/23/473102323.db2.gz CXUWVTWAIUDICH-ZDUSSCGKSA-N 1 2 344.415 2.653 20 70 EFIDLO COCCOc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000160300659 473104755 /nfs/dbraw/zinc/10/47/55/473104755.db2.gz PZBIKRVHWTYMMA-LBPRGKRZSA-N 1 2 349.818 2.763 20 70 EFIDLO O=C(Nc1nc(C2CC2)cs1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160366910 473113448 /nfs/dbraw/zinc/11/34/48/473113448.db2.gz QIJMSKJVFGBUFC-GFCCVEGCSA-N 1 2 329.429 2.816 20 70 EFIDLO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000160388505 473115542 /nfs/dbraw/zinc/11/55/42/473115542.db2.gz GZPQJNVUPXBVSQ-CYBMUJFWSA-N 1 2 341.440 2.702 20 70 EFIDLO Cc1nc2ccccn2c1C[N@H+]1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000160388505 473115547 /nfs/dbraw/zinc/11/55/47/473115547.db2.gz GZPQJNVUPXBVSQ-CYBMUJFWSA-N 1 2 341.440 2.702 20 70 EFIDLO Cc1[nH+]c2ccccn2c1CN1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000160388505 473115554 /nfs/dbraw/zinc/11/55/54/473115554.db2.gz GZPQJNVUPXBVSQ-CYBMUJFWSA-N 1 2 341.440 2.702 20 70 EFIDLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccnc(Cl)c1F ZINC000160407245 473118770 /nfs/dbraw/zinc/11/87/70/473118770.db2.gz DRYDXOUHEVKAPL-UHFFFAOYSA-N 1 2 349.793 2.959 20 70 EFIDLO Cc1cc(N)nc(S[C@H]2CCCN(c3ccccc3F)C2=O)[nH+]1 ZINC000160425729 473122347 /nfs/dbraw/zinc/12/23/47/473122347.db2.gz BSTIUJGJBRTZGV-ZDUSSCGKSA-N 1 2 332.404 2.794 20 70 EFIDLO Cc1ccc(-c2nc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)n[nH]2)o1 ZINC000160428484 473122584 /nfs/dbraw/zinc/12/25/84/473122584.db2.gz DNESRPAMHSHQIH-UHFFFAOYSA-N 1 2 348.366 2.870 20 70 EFIDLO Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)n2)o1 ZINC000160428484 473122589 /nfs/dbraw/zinc/12/25/89/473122589.db2.gz DNESRPAMHSHQIH-UHFFFAOYSA-N 1 2 348.366 2.870 20 70 EFIDLO O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160468286 473128771 /nfs/dbraw/zinc/12/87/71/473128771.db2.gz RTVFEMORSUZHLN-AOIWGVFYSA-N 1 2 339.439 2.730 20 70 EFIDLO O=C(Cc1cccc(OCC(F)(F)F)c1)NCCCn1cc[nH+]c1 ZINC000160528757 473138379 /nfs/dbraw/zinc/13/83/79/473138379.db2.gz HKSPDFWJJINTLT-UHFFFAOYSA-N 1 2 341.333 2.573 20 70 EFIDLO CC(=O)Nc1cc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)ccc1Cl ZINC000160543565 473138951 /nfs/dbraw/zinc/13/89/51/473138951.db2.gz ZTIVBKHDMHFKSI-NSHDSACASA-N 1 2 332.791 2.696 20 70 EFIDLO Cc1nc2ccccn2c1CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000160539231 473139072 /nfs/dbraw/zinc/13/90/72/473139072.db2.gz TXQMWBQKPYUYRW-UHFFFAOYSA-N 1 2 336.439 2.666 20 70 EFIDLO Cc1nc2ccccn2c1C[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000160539231 473139078 /nfs/dbraw/zinc/13/90/78/473139078.db2.gz TXQMWBQKPYUYRW-UHFFFAOYSA-N 1 2 336.439 2.666 20 70 EFIDLO Cc1nc2ccc(NC(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)cc2o1 ZINC000160545830 473140792 /nfs/dbraw/zinc/14/07/92/473140792.db2.gz WHOAMYKLELWXGF-CQSZACIVSA-N 1 2 337.383 2.932 20 70 EFIDLO CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)n1 ZINC000160546992 473141117 /nfs/dbraw/zinc/14/11/17/473141117.db2.gz CQKXIEIQMQTEDE-OAHLLOKOSA-N 1 2 341.411 2.853 20 70 EFIDLO CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)n1 ZINC000160546992 473141123 /nfs/dbraw/zinc/14/11/23/473141123.db2.gz CQKXIEIQMQTEDE-OAHLLOKOSA-N 1 2 341.411 2.853 20 70 EFIDLO Cc1cc(N(C)Cc2nc(=O)c3sccc3[nH]2)nc(C(C)C)[nH+]1 ZINC000160578906 473145137 /nfs/dbraw/zinc/14/51/37/473145137.db2.gz AILWZYIYJBNZKD-UHFFFAOYSA-N 1 2 329.429 2.843 20 70 EFIDLO O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000160602256 473149237 /nfs/dbraw/zinc/14/92/37/473149237.db2.gz SBCQTDQMQFHHPE-MRXNPFEDSA-N 1 2 340.427 2.879 20 70 EFIDLO CCC(CC)CNC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000160602953 473149312 /nfs/dbraw/zinc/14/93/12/473149312.db2.gz XOOPZBKEPDYDSP-UHFFFAOYSA-N 1 2 343.475 2.598 20 70 EFIDLO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000160620860 473153000 /nfs/dbraw/zinc/15/30/00/473153000.db2.gz YBULZCXCBQTFQO-SJORKVTESA-N 1 2 341.480 2.899 20 70 EFIDLO CCC(CC)n1nccc1C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160734607 473168303 /nfs/dbraw/zinc/16/83/03/473168303.db2.gz OKOHVWKYNXHZRN-UHFFFAOYSA-N 1 2 341.459 2.597 20 70 EFIDLO CC[C@H](Nc1ccc(N2CCNC(=O)C2)[nH+]c1)c1ccc(F)cc1 ZINC000160741519 473169229 /nfs/dbraw/zinc/16/92/29/473169229.db2.gz ICWILAKXMCYPIS-INIZCTEOSA-N 1 2 328.391 2.720 20 70 EFIDLO CCCC[N@H+](Cc1c(C)nn(CCC)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000160755781 473171437 /nfs/dbraw/zinc/17/14/37/473171437.db2.gz HBUHHYXOWFMCLJ-INIZCTEOSA-N 1 2 341.521 2.699 20 70 EFIDLO CCCC[N@@H+](Cc1c(C)nn(CCC)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000160755781 473171445 /nfs/dbraw/zinc/17/14/45/473171445.db2.gz HBUHHYXOWFMCLJ-INIZCTEOSA-N 1 2 341.521 2.699 20 70 EFIDLO CCCC[N@H+](Cc1cc(F)c(F)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000160789779 473175032 /nfs/dbraw/zinc/17/50/32/473175032.db2.gz OAYKCSKVUYROCE-GFCCVEGCSA-N 1 2 335.391 2.893 20 70 EFIDLO CCCC[N@@H+](Cc1cc(F)c(F)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000160789779 473175039 /nfs/dbraw/zinc/17/50/39/473175039.db2.gz OAYKCSKVUYROCE-GFCCVEGCSA-N 1 2 335.391 2.893 20 70 EFIDLO C[C@@H](CC(=O)c1cccs1)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000160892084 473188197 /nfs/dbraw/zinc/18/81/97/473188197.db2.gz ILHIYFQPIBMFMU-AWEZNQCLSA-N 1 2 330.453 2.958 20 70 EFIDLO C[C@@H](CC(=O)c1cccs1)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000160892084 473188200 /nfs/dbraw/zinc/18/82/00/473188200.db2.gz ILHIYFQPIBMFMU-AWEZNQCLSA-N 1 2 330.453 2.958 20 70 EFIDLO C[C@@H](Cc1nc2ccccc2s1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160891224 473188393 /nfs/dbraw/zinc/18/83/93/473188393.db2.gz DMENLGDDVCAKQG-QWHCGFSZSA-N 1 2 340.452 2.803 20 70 EFIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000161076184 473204533 /nfs/dbraw/zinc/20/45/33/473204533.db2.gz RNUMHLKQCKOPEB-AWEZNQCLSA-N 1 2 341.411 2.702 20 70 EFIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000161076184 473204539 /nfs/dbraw/zinc/20/45/39/473204539.db2.gz RNUMHLKQCKOPEB-AWEZNQCLSA-N 1 2 341.411 2.702 20 70 EFIDLO CS[C@H](C)CNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000159914082 534053818 /nfs/dbraw/zinc/05/38/18/534053818.db2.gz QBHLTCRVHHQYGO-ZWNOBZJWSA-N 1 2 331.432 2.618 20 70 EFIDLO CC(C)(C)c1nc(CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cs1 ZINC000160697855 519094125 /nfs/dbraw/zinc/09/41/25/519094125.db2.gz ATPHPFIFFAJOMM-GFCCVEGCSA-N 1 2 332.473 2.558 20 70 EFIDLO Clc1ccc(-c2nc(CSCC[NH+]3CCOCC3)no2)cc1 ZINC000159868340 534634407 /nfs/dbraw/zinc/63/44/07/534634407.db2.gz IHDCMOVUXAVRQD-UHFFFAOYSA-N 1 2 339.848 2.955 20 70 EFIDLO O=C1[C@@H](SCC[NH+]2CCOCC2)CCN1c1cccc(Cl)c1 ZINC000159770922 534833625 /nfs/dbraw/zinc/83/36/25/534833625.db2.gz SOAPAYTYXODTOJ-HNNXBMFYSA-N 1 2 340.876 2.511 20 70 EFIDLO C[C@H](Sc1[nH+]cnc2c1cnn2C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000217861535 526006698 /nfs/dbraw/zinc/00/66/98/526006698.db2.gz MGTCQSJYUIPCAI-GVXVVHGQSA-N 1 2 333.461 2.539 20 70 EFIDLO CC(=O)NC1CCC([NH2+]c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000161170289 526701945 /nfs/dbraw/zinc/70/19/45/526701945.db2.gz DWIXVEXYAUSUKM-UHFFFAOYSA-N 1 2 335.423 2.522 20 70 EFIDLO CC(=O)NC1CCC(Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000161154183 526702853 /nfs/dbraw/zinc/70/28/53/526702853.db2.gz UVJDEQRRULCHNS-UHFFFAOYSA-N 1 2 342.443 2.821 20 70 EFIDLO CC(C)(CNC(=O)C1(Cc2ccccc2)CCC1)[NH+]1CCOCC1 ZINC000159534775 527101990 /nfs/dbraw/zinc/10/19/90/527101990.db2.gz JVSVPCGVOPBGBW-UHFFFAOYSA-N 1 2 330.472 2.626 20 70 EFIDLO CCc1ccc(-c2noc(CSCC[NH+]3CCOCC3)n2)cc1 ZINC000159756630 529578817 /nfs/dbraw/zinc/57/88/17/529578817.db2.gz FHBCSOAOGXXAIO-UHFFFAOYSA-N 1 2 333.457 2.864 20 70 EFIDLO CCOc1ccc(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000217301046 241244902 /nfs/dbraw/zinc/24/49/02/241244902.db2.gz QDDCRIXSICNYOF-UHFFFAOYSA-N 1 2 340.427 2.512 20 70 EFIDLO COc1cc2nc(N[C@H]3CCO[C@H](C4CC4)C3)[nH+]c(N)c2cc1OC ZINC000160277035 533177012 /nfs/dbraw/zinc/17/70/12/533177012.db2.gz SFYAYDKDIPSBDP-FZMZJTMJSA-N 1 2 344.415 2.599 20 70 EFIDLO COc1ccccc1[C@@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161323871 286510688 /nfs/dbraw/zinc/51/06/88/286510688.db2.gz RINOMNMZQRCWDF-HOCLYGCPSA-N 1 2 325.412 2.818 20 70 EFIDLO O=C(CCCn1cc[nH+]c1)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000161192723 544811421 /nfs/dbraw/zinc/81/14/21/544811421.db2.gz NPQQGECJSMHODJ-UHFFFAOYSA-N 1 2 341.455 2.997 20 70 EFIDLO O=C(c1cc(F)cc(Cl)c1O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000159702685 544798731 /nfs/dbraw/zinc/79/87/31/544798731.db2.gz HZBARUZZVATALN-UHFFFAOYSA-N 1 2 335.766 2.542 20 70 EFIDLO CC1(C)Cc2nc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)sc2C(=O)C1 ZINC000159794728 276151668 /nfs/dbraw/zinc/15/16/68/276151668.db2.gz ZCLXITPNUWZXTA-JTQLQIEISA-N 1 2 344.440 2.696 20 70 EFIDLO CCc1c(C(=O)NCc2cn3ccccc3[nH+]2)cnn1CC(C)C ZINC000159494839 310687763 /nfs/dbraw/zinc/68/77/63/310687763.db2.gz JLWPXJUMJGELRU-UHFFFAOYSA-N 1 2 325.416 2.679 20 70 EFIDLO CC[C@@H]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000160347463 310697880 /nfs/dbraw/zinc/69/78/80/310697880.db2.gz WMTBBLDFRLYYPB-IAGOWNOFSA-N 1 2 330.476 2.878 20 70 EFIDLO C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161339603 310708399 /nfs/dbraw/zinc/70/83/99/310708399.db2.gz PCVRCKWPDUHJKL-FZMZJTMJSA-N 1 2 330.350 2.649 20 70 EFIDLO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1OC)Cc1cnn(C)c1 ZINC000161081393 473205485 /nfs/dbraw/zinc/20/54/85/473205485.db2.gz WXSVSOIXLCBAPC-UHFFFAOYSA-N 1 2 336.823 2.543 20 70 EFIDLO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1OC)Cc1cnn(C)c1 ZINC000161081393 473205490 /nfs/dbraw/zinc/20/54/90/473205490.db2.gz WXSVSOIXLCBAPC-UHFFFAOYSA-N 1 2 336.823 2.543 20 70 EFIDLO CC(=O)NC1CCC([NH2+]c2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000161088686 473205747 /nfs/dbraw/zinc/20/57/47/473205747.db2.gz OZUCEMRMVIFLJS-UHFFFAOYSA-N 1 2 331.460 2.507 20 70 EFIDLO CC(=O)NC1CCC(Nc2ccc([NH+]3CCC(O)CC3)cc2)CC1 ZINC000161088686 473205753 /nfs/dbraw/zinc/20/57/53/473205753.db2.gz OZUCEMRMVIFLJS-UHFFFAOYSA-N 1 2 331.460 2.507 20 70 EFIDLO CCOc1cccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000161090163 473206326 /nfs/dbraw/zinc/20/63/26/473206326.db2.gz SPTKIADOTULMPI-OAHLLOKOSA-N 1 2 326.400 2.881 20 70 EFIDLO CCN(C(=O)C[N@H+](CC)Cc1cnn(C)c1)[C@H](C)c1ccc(F)cc1 ZINC000161129763 473209902 /nfs/dbraw/zinc/20/99/02/473209902.db2.gz JGJKYDWFGLSAMK-OAHLLOKOSA-N 1 2 346.450 2.991 20 70 EFIDLO CCN(C(=O)C[N@@H+](CC)Cc1cnn(C)c1)[C@H](C)c1ccc(F)cc1 ZINC000161129763 473209906 /nfs/dbraw/zinc/20/99/06/473209906.db2.gz JGJKYDWFGLSAMK-OAHLLOKOSA-N 1 2 346.450 2.991 20 70 EFIDLO CC[N@H+](Cc1ccccn1)[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000161204938 473217521 /nfs/dbraw/zinc/21/75/21/473217521.db2.gz PBBVIDSBHIAQCA-MRXNPFEDSA-N 1 2 331.366 2.987 20 70 EFIDLO CC[N@@H+](Cc1ccccn1)[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000161204938 473217523 /nfs/dbraw/zinc/21/75/23/473217523.db2.gz PBBVIDSBHIAQCA-MRXNPFEDSA-N 1 2 331.366 2.987 20 70 EFIDLO Cn1cc(/C=C/C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c2ccccc21 ZINC000161244521 473219494 /nfs/dbraw/zinc/21/94/94/473219494.db2.gz RGDDNLVWAJMRPZ-FVNWOWOISA-N 1 2 346.434 2.982 20 70 EFIDLO C[C@@H]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C[C@@H]1C ZINC000161243251 473219560 /nfs/dbraw/zinc/21/95/60/473219560.db2.gz UDQHCWUGEYLLKP-IKGGRYGDSA-N 1 2 330.476 2.734 20 70 EFIDLO CCCC[C@H](NC(=O)/C=C/c1[nH+]ccn1CC)C(=O)OC(C)(C)C ZINC000161261352 473221508 /nfs/dbraw/zinc/22/15/08/473221508.db2.gz YSAJKNVYSCEWQP-VNDWYCCKSA-N 1 2 335.448 2.933 20 70 EFIDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)N[C@H](CCO)C(C)(C)C ZINC000161295625 473224652 /nfs/dbraw/zinc/22/46/52/473224652.db2.gz OQNKOXLNWCLVAC-QGZVFWFLSA-N 1 2 346.475 2.831 20 70 EFIDLO C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161339792 473227117 /nfs/dbraw/zinc/22/71/17/473227117.db2.gz PCVRCKWPDUHJKL-SMDDNHRTSA-N 1 2 330.350 2.649 20 70 EFIDLO O=C(N[C@H](c1nccs1)c1ccccc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161413233 473233448 /nfs/dbraw/zinc/23/34/48/473233448.db2.gz DIXZZPVLUJRDAP-HOCLYGCPSA-N 1 2 338.436 2.808 20 70 EFIDLO CCNC(=O)C(C)(C)CNc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000161378394 473231049 /nfs/dbraw/zinc/23/10/49/473231049.db2.gz FTHVBAIEERWIBT-UHFFFAOYSA-N 1 2 327.432 2.730 20 70 EFIDLO Cc1ccc(-c2n[nH]c(NC(=O)C[N@H+](C)[C@@H]3CCSC3)c2C)o1 ZINC000161469270 473238144 /nfs/dbraw/zinc/23/81/44/473238144.db2.gz VTYUIUNFXFIRQF-GFCCVEGCSA-N 1 2 334.445 2.662 20 70 EFIDLO O=C(Nc1nc(Cc2ccccc2)ns1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161486318 473239000 /nfs/dbraw/zinc/23/90/00/473239000.db2.gz GQBCCIOJEDYRLM-ZDUSSCGKSA-N 1 2 339.424 2.527 20 70 EFIDLO Cc1ccc(-c2n[nH]c(NC(=O)C[N@@H+](C)[C@@H]3CCSC3)c2C)o1 ZINC000161469270 473238139 /nfs/dbraw/zinc/23/81/39/473238139.db2.gz VTYUIUNFXFIRQF-GFCCVEGCSA-N 1 2 334.445 2.662 20 70 EFIDLO CCOC(=O)C[N@H+](C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000159496288 473032812 /nfs/dbraw/zinc/03/28/12/473032812.db2.gz MLCVSAYSDQJYTK-SFHVURJKSA-N 1 2 343.423 2.588 20 70 EFIDLO CCOC(=O)C[N@@H+](C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000159496288 473032816 /nfs/dbraw/zinc/03/28/16/473032816.db2.gz MLCVSAYSDQJYTK-SFHVURJKSA-N 1 2 343.423 2.588 20 70 EFIDLO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc(F)cc(Cl)c2O)C1 ZINC000159566353 473040587 /nfs/dbraw/zinc/04/05/87/473040587.db2.gz IGMHSPYQLMGKHN-LLVKDONJSA-N 1 2 328.815 2.892 20 70 EFIDLO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cc(F)cc(Cl)c2O)C1 ZINC000159566353 473040595 /nfs/dbraw/zinc/04/05/95/473040595.db2.gz IGMHSPYQLMGKHN-LLVKDONJSA-N 1 2 328.815 2.892 20 70 EFIDLO CC(C)Oc1ccc(CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000159742629 473057046 /nfs/dbraw/zinc/05/70/46/473057046.db2.gz BWFCBKTYORQJLK-MRXNPFEDSA-N 1 2 327.428 2.592 20 70 EFIDLO O=C(NCc1[nH]cc[nH+]1)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000159860834 473067984 /nfs/dbraw/zinc/06/79/84/473067984.db2.gz HHAAULGTDUZKJU-UHFFFAOYSA-N 1 2 335.289 2.544 20 70 EFIDLO CCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000159944072 473074915 /nfs/dbraw/zinc/07/49/15/473074915.db2.gz RSANKYKRFKPHJI-HOCLYGCPSA-N 1 2 342.443 2.712 20 70 EFIDLO CCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000159944072 473074919 /nfs/dbraw/zinc/07/49/19/473074919.db2.gz RSANKYKRFKPHJI-HOCLYGCPSA-N 1 2 342.443 2.712 20 70 EFIDLO COc1ccccc1CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000160130451 473089327 /nfs/dbraw/zinc/08/93/27/473089327.db2.gz LHMOPEVTOQCKDE-AWEZNQCLSA-N 1 2 325.412 2.645 20 70 EFIDLO CCOC(=O)C[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000160151034 473090888 /nfs/dbraw/zinc/09/08/88/473090888.db2.gz NKVFHYZUCDGNOQ-ZDUSSCGKSA-N 1 2 333.363 2.618 20 70 EFIDLO CCOC(=O)C[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000160151034 473090894 /nfs/dbraw/zinc/09/08/94/473090894.db2.gz NKVFHYZUCDGNOQ-ZDUSSCGKSA-N 1 2 333.363 2.618 20 70 EFIDLO Cc1cccc([C@@H]2CCC[N@@H+]2[C@@H]2CCN(CC(F)(F)F)C2=O)n1 ZINC000160273798 473103626 /nfs/dbraw/zinc/10/36/26/473103626.db2.gz MBRHEYACRPWNRH-UONOGXRCSA-N 1 2 327.350 2.690 20 70 EFIDLO Cc1cccc([C@@H]2CCC[N@H+]2[C@@H]2CCN(CC(F)(F)F)C2=O)n1 ZINC000160273798 473103630 /nfs/dbraw/zinc/10/36/30/473103630.db2.gz MBRHEYACRPWNRH-UONOGXRCSA-N 1 2 327.350 2.690 20 70 EFIDLO COCCOc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000160300572 473105152 /nfs/dbraw/zinc/10/51/52/473105152.db2.gz PZBIKRVHWTYMMA-GFCCVEGCSA-N 1 2 349.818 2.763 20 70 EFIDLO CCCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H]2C(N)=O)cc1OCC ZINC000160357586 473111316 /nfs/dbraw/zinc/11/13/16/473111316.db2.gz ZCTUUEHHGBGVCZ-CQSZACIVSA-N 1 2 340.851 2.977 20 70 EFIDLO CCCOc1c(Cl)cc(C[N@H+]2CCC[C@@H]2C(N)=O)cc1OCC ZINC000160357586 473111325 /nfs/dbraw/zinc/11/13/25/473111325.db2.gz ZCTUUEHHGBGVCZ-CQSZACIVSA-N 1 2 340.851 2.977 20 70 EFIDLO CC(C)COc1cccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000160436394 473124889 /nfs/dbraw/zinc/12/48/89/473124889.db2.gz OILPCFFRMHNEOH-INIZCTEOSA-N 1 2 327.428 2.797 20 70 EFIDLO CC(C)c1nc(N(C)CCOCc2ccccc2)nc(N(C)C)[nH+]1 ZINC000160467752 473128535 /nfs/dbraw/zinc/12/85/35/473128535.db2.gz NMOJJCLIYNPKHT-UHFFFAOYSA-N 1 2 329.448 2.714 20 70 EFIDLO CC(C)c1nc(N(C)C)nc(N(C)CCOCc2ccccc2)[nH+]1 ZINC000160467752 473128543 /nfs/dbraw/zinc/12/85/43/473128543.db2.gz NMOJJCLIYNPKHT-UHFFFAOYSA-N 1 2 329.448 2.714 20 70 EFIDLO Cc1nc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)no1 ZINC000160485575 473131109 /nfs/dbraw/zinc/13/11/09/473131109.db2.gz QJTHXCBSZYQEAV-PBWFPOADSA-N 1 2 336.436 2.740 20 70 EFIDLO Cc1nc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)no1 ZINC000160485575 473131115 /nfs/dbraw/zinc/13/11/15/473131115.db2.gz QJTHXCBSZYQEAV-PBWFPOADSA-N 1 2 336.436 2.740 20 70 EFIDLO O=C(NCC[NH+]1CCOCC1)Nc1ccc(COC2CCCC2)cc1 ZINC000160493655 473132612 /nfs/dbraw/zinc/13/26/12/473132612.db2.gz OMCBCNFTLDZWEV-UHFFFAOYSA-N 1 2 347.459 2.600 20 70 EFIDLO CCc1cc(=O)[nH]c(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)n1 ZINC000160573777 473144623 /nfs/dbraw/zinc/14/46/23/473144623.db2.gz MCISHTAHRZWCDG-CQSZACIVSA-N 1 2 333.457 2.987 20 70 EFIDLO CCc1cc(=O)[nH]c(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)n1 ZINC000160573777 473144631 /nfs/dbraw/zinc/14/46/31/473144631.db2.gz MCISHTAHRZWCDG-CQSZACIVSA-N 1 2 333.457 2.987 20 70 EFIDLO CN(CCCn1cc[nH+]c1)C(=O)c1cn(C)nc1-c1cccs1 ZINC000160615927 473151662 /nfs/dbraw/zinc/15/16/62/473151662.db2.gz OWPNCNFIBWKBSG-UHFFFAOYSA-N 1 2 329.429 2.507 20 70 EFIDLO Cc1ccsc1[C@H]1C[C@@H]1C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000160620993 473152432 /nfs/dbraw/zinc/15/24/32/473152432.db2.gz YBULZCXCBQTFQO-IRXDYDNUSA-N 1 2 341.480 2.899 20 70 EFIDLO Cn1c(=O)cccc1C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000160634220 473155730 /nfs/dbraw/zinc/15/57/30/473155730.db2.gz OQEGWAJWPLNUKF-UHFFFAOYSA-N 1 2 348.406 2.837 20 70 EFIDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCC1(c2ccccc2Cl)CC1 ZINC000160647019 473156800 /nfs/dbraw/zinc/15/68/00/473156800.db2.gz ASDXJJKQSANBBU-CYBMUJFWSA-N 1 2 332.835 2.956 20 70 EFIDLO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccnn1C ZINC000160678779 473161046 /nfs/dbraw/zinc/16/10/46/473161046.db2.gz ALJKOUAONZXVHY-UHFFFAOYSA-N 1 2 340.349 2.900 20 70 EFIDLO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccnn1C ZINC000160678779 473161053 /nfs/dbraw/zinc/16/10/53/473161053.db2.gz ALJKOUAONZXVHY-UHFFFAOYSA-N 1 2 340.349 2.900 20 70 EFIDLO C[C@@H](CC(=O)c1cccs1)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000160715100 473165462 /nfs/dbraw/zinc/16/54/62/473165462.db2.gz VQSPWTLSOTVPRD-LBPRGKRZSA-N 1 2 327.409 2.716 20 70 EFIDLO O=C(Nc1cc(C(F)(F)F)ccc1O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160739049 473168514 /nfs/dbraw/zinc/16/85/14/473168514.db2.gz QLZGEHXNDHMGKQ-SECBINFHSA-N 1 2 325.290 2.809 20 70 EFIDLO CC(C)n1cc[nH+]c1CN1CCN(C(=O)NC2CCCCC2)CC1 ZINC000160764613 473172088 /nfs/dbraw/zinc/17/20/88/473172088.db2.gz IENSPOFDYSWESY-UHFFFAOYSA-N 1 2 333.480 2.624 20 70 EFIDLO COCCN(CCCc1ccccc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160861826 473184890 /nfs/dbraw/zinc/18/48/90/473184890.db2.gz UZMHGMDMPOPSDV-GOSISDBHSA-N 1 2 341.455 2.553 20 70 EFIDLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccnn1CC ZINC000160895691 473187871 /nfs/dbraw/zinc/18/78/71/473187871.db2.gz BQESONSKZWQCOM-UHFFFAOYSA-N 1 2 330.432 2.762 20 70 EFIDLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccnn1CC ZINC000160895691 473187875 /nfs/dbraw/zinc/18/78/75/473187875.db2.gz BQESONSKZWQCOM-UHFFFAOYSA-N 1 2 330.432 2.762 20 70 EFIDLO COc1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1F ZINC000160895033 473188639 /nfs/dbraw/zinc/18/86/39/473188639.db2.gz QTPBJXXFDGXPPV-ZDUSSCGKSA-N 1 2 330.363 2.630 20 70 EFIDLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1c(C)n[nH]c1C ZINC000160901790 473189779 /nfs/dbraw/zinc/18/97/79/473189779.db2.gz JHIXKERFBHIBSA-UHFFFAOYSA-N 1 2 330.432 2.886 20 70 EFIDLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1c(C)n[nH]c1C ZINC000160901790 473189784 /nfs/dbraw/zinc/18/97/84/473189784.db2.gz JHIXKERFBHIBSA-UHFFFAOYSA-N 1 2 330.432 2.886 20 70 EFIDLO O=C(Nc1ccn(CC(F)(F)F)n1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000160910695 473190839 /nfs/dbraw/zinc/19/08/39/473190839.db2.gz KNKROVYHTXAVJW-SNVBAGLBSA-N 1 2 342.325 2.928 20 70 EFIDLO O=C(Cc1ccc(O)cc1Cl)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000160951042 473193240 /nfs/dbraw/zinc/19/32/40/473193240.db2.gz SYFBRDVLUYBRRF-HNNXBMFYSA-N 1 2 332.787 2.663 20 70 EFIDLO C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)c1c(F)cccc1F ZINC000160942737 473193813 /nfs/dbraw/zinc/19/38/13/473193813.db2.gz WSXSWMHAYLXKNC-CYBMUJFWSA-N 1 2 331.366 2.812 20 70 EFIDLO C[C@@H]1CCN(C(=O)Cc2ccc(O)cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000160962683 473194963 /nfs/dbraw/zinc/19/49/63/473194963.db2.gz WJPOVGGVOSKMOE-MLGOLLRUSA-N 1 2 333.819 2.894 20 70 EFIDLO CCc1cc(=O)[nH]c(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)n1 ZINC000160981601 473196698 /nfs/dbraw/zinc/19/66/98/473196698.db2.gz LIACOVWULZQANJ-QGZVFWFLSA-N 1 2 327.428 2.926 20 70 EFIDLO CCc1cc(=O)[nH]c(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)n1 ZINC000160981601 473196700 /nfs/dbraw/zinc/19/67/00/473196700.db2.gz LIACOVWULZQANJ-QGZVFWFLSA-N 1 2 327.428 2.926 20 70 EFIDLO Cc1cc2cc(C[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)oc2cc1C ZINC000161010724 473199530 /nfs/dbraw/zinc/19/95/30/473199530.db2.gz IFQINLKCRPBQMR-SFHVURJKSA-N 1 2 342.439 2.873 20 70 EFIDLO CC(C)S(=O)(=O)CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000161027224 473201078 /nfs/dbraw/zinc/20/10/78/473201078.db2.gz RKMPWWXNVFLBFU-UHFFFAOYSA-N 1 2 344.908 2.675 20 70 EFIDLO COC(=O)C1([NH2+]C[C@H](O)COc2c(C)ccc(C)c2C)CCCCC1 ZINC000217139319 474141815 /nfs/dbraw/zinc/14/18/15/474141815.db2.gz ORVYIJRTSYYGSG-KRWDZBQOSA-N 1 2 349.471 2.817 20 70 EFIDLO CS[C@@H](C)CNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000159913959 533911372 /nfs/dbraw/zinc/91/13/72/533911372.db2.gz QBHLTCRVHHQYGO-GXFFZTMASA-N 1 2 331.432 2.618 20 70 EFIDLO Cc1ccsc1[C@H]1C[C@H]1C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000159862523 534487159 /nfs/dbraw/zinc/48/71/59/534487159.db2.gz NQXXBSUBGYDEIO-DLBZAZTESA-N 1 2 341.480 2.899 20 70 EFIDLO COC(=O)c1oc(CN2CCc3c([nH+]c(C(C)C)n3C)C2)cc1C ZINC000216955089 522402042 /nfs/dbraw/zinc/40/20/42/522402042.db2.gz UHOAIMSKFXPPPJ-UHFFFAOYSA-N 1 2 331.416 2.790 20 70 EFIDLO C[C@@H]1CCC[C@H](CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000159591178 524378977 /nfs/dbraw/zinc/37/89/77/524378977.db2.gz UXDYMFWEBZNDEU-SJORKVTESA-N 1 2 330.476 2.735 20 70 EFIDLO CC1CCN(c2cccc(NC(=O)NCCn3cc[nH+]c3)c2)CC1 ZINC000159701016 528270393 /nfs/dbraw/zinc/27/03/93/528270393.db2.gz ZTOLUIKLLVQPLD-UHFFFAOYSA-N 1 2 327.432 2.941 20 70 EFIDLO CCOCCC1(CNC(=O)c2ccnc(-n3cc[nH+]c3)c2)CCC1 ZINC000159614994 528632449 /nfs/dbraw/zinc/63/24/49/528632449.db2.gz OACPOBAMXKLCOM-UHFFFAOYSA-N 1 2 328.416 2.594 20 70 EFIDLO CC(C)Cc1nnc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000160057086 528678858 /nfs/dbraw/zinc/67/88/58/528678858.db2.gz ATUURGSHEAQTEN-LBPRGKRZSA-N 1 2 346.460 2.532 20 70 EFIDLO CCc1nnc(C[NH2+][C@H](C)c2ccc(OC)c(Br)c2)[nH]1 ZINC000160283136 529740671 /nfs/dbraw/zinc/74/06/71/529740671.db2.gz BOARBYBWJLFTJT-SECBINFHSA-N 1 2 339.237 2.989 20 70 EFIDLO CCc1nnc(C[NH+]2CCC(OCc3ccccc3OC)CC2)[nH]1 ZINC000160229991 529735800 /nfs/dbraw/zinc/73/58/00/529735800.db2.gz JDPMSJXLNUWDRH-UHFFFAOYSA-N 1 2 330.432 2.557 20 70 EFIDLO C[NH+](C)[C@H](CNC(=O)c1cccc2[nH]cnc21)c1c(F)cccc1F ZINC000159557982 239029794 /nfs/dbraw/zinc/02/97/94/239029794.db2.gz GDBYUYOMFGJTHY-OAHLLOKOSA-N 1 2 344.365 2.874 20 70 EFIDLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC(OC2CCCCC2)CC1 ZINC000161052248 239061913 /nfs/dbraw/zinc/06/19/13/239061913.db2.gz UHXLFFWFRFIXLK-HNNXBMFYSA-N 1 2 331.460 2.786 20 70 EFIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000161093503 285120164 /nfs/dbraw/zinc/12/01/64/285120164.db2.gz UOPODDMHUDCPMS-CQSZACIVSA-N 1 2 343.427 2.948 20 70 EFIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000161093503 285120165 /nfs/dbraw/zinc/12/01/65/285120165.db2.gz UOPODDMHUDCPMS-CQSZACIVSA-N 1 2 343.427 2.948 20 70 EFIDLO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000159400995 533650035 /nfs/dbraw/zinc/65/00/35/533650035.db2.gz VXZWHHZXUAYZND-CABCVRRESA-N 1 2 340.423 2.557 20 70 EFIDLO C[C@@H](O)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000159400995 533650046 /nfs/dbraw/zinc/65/00/46/533650046.db2.gz VXZWHHZXUAYZND-CABCVRRESA-N 1 2 340.423 2.557 20 70 EFIDLO C[C@H](NC(=O)CSCC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000159761710 225271879 /nfs/dbraw/zinc/27/18/79/225271879.db2.gz PJIABBVVYKSCCW-ZDUSSCGKSA-N 1 2 342.892 2.583 20 70 EFIDLO Cc1ccc(F)cc1NC(=O)[C@H](C)SCC[NH+]1CCOCC1 ZINC000159977647 225313703 /nfs/dbraw/zinc/31/37/03/225313703.db2.gz OBPCPVNQHHOLHC-ZDUSSCGKSA-N 1 2 326.437 2.527 20 70 EFIDLO CCOc1ccccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159996421 225317371 /nfs/dbraw/zinc/31/73/71/225317371.db2.gz ONTSBUPYFMKPSH-CQSZACIVSA-N 1 2 326.400 2.881 20 70 EFIDLO C[NH+](C)[C@H](CNC(=O)CCCn1cccc1)c1c(F)cccc1F ZINC000159557449 225239476 /nfs/dbraw/zinc/23/94/76/225239476.db2.gz TWIHESYFLLBBAA-MRXNPFEDSA-N 1 2 335.398 2.966 20 70 EFIDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000160187032 225357554 /nfs/dbraw/zinc/35/75/54/225357554.db2.gz CWYUAYJFSOVDDR-GUTXKFCHSA-N 1 2 334.445 2.505 20 70 EFIDLO Cc1cccc2c(=O)c(C(=O)N3CCN(c4cc[nH+]cc4)CC3)c[nH]c12 ZINC000161366013 544813695 /nfs/dbraw/zinc/81/36/95/544813695.db2.gz IBRPFUXXSAJNKU-UHFFFAOYSA-N 1 2 348.406 2.606 20 70 EFIDLO O=C(Nc1ccc(-n2cccn2)cc1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160512370 310699628 /nfs/dbraw/zinc/69/96/28/310699628.db2.gz NUZMOUFENHEGKG-MRXNPFEDSA-N 1 2 348.410 2.668 20 70 EFIDLO CCc1ccccc1NC(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161310508 310708034 /nfs/dbraw/zinc/70/80/34/310708034.db2.gz PYPJAMBYMDVTCK-MRXNPFEDSA-N 1 2 344.377 2.823 20 70 EFIDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000161073575 473204817 /nfs/dbraw/zinc/20/48/17/473204817.db2.gz VQZMLQVLBROOQK-LSDHHAIUSA-N 1 2 326.444 2.608 20 70 EFIDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000161073575 473204819 /nfs/dbraw/zinc/20/48/19/473204819.db2.gz VQZMLQVLBROOQK-LSDHHAIUSA-N 1 2 326.444 2.608 20 70 EFIDLO CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+](CC)Cc1cnn(C)c1 ZINC000161093855 473206110 /nfs/dbraw/zinc/20/61/10/473206110.db2.gz GZBSPTYKCPCQFT-GOSISDBHSA-N 1 2 328.460 2.852 20 70 EFIDLO CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+](CC)Cc1cnn(C)c1 ZINC000161093855 473206117 /nfs/dbraw/zinc/20/61/17/473206117.db2.gz GZBSPTYKCPCQFT-GOSISDBHSA-N 1 2 328.460 2.852 20 70 EFIDLO CCOc1cccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000161090304 473206428 /nfs/dbraw/zinc/20/64/28/473206428.db2.gz SPTKIADOTULMPI-HNNXBMFYSA-N 1 2 326.400 2.881 20 70 EFIDLO CC[N@H+](CC(=O)N(C)[C@@H]1CCCc2ccccc21)Cc1cnn(C)c1 ZINC000161091537 473206628 /nfs/dbraw/zinc/20/66/28/473206628.db2.gz YACFKXVBTSABNC-LJQANCHMSA-N 1 2 340.471 2.778 20 70 EFIDLO CC[N@@H+](CC(=O)N(C)[C@@H]1CCCc2ccccc21)Cc1cnn(C)c1 ZINC000161091537 473206636 /nfs/dbraw/zinc/20/66/36/473206636.db2.gz YACFKXVBTSABNC-LJQANCHMSA-N 1 2 340.471 2.778 20 70 EFIDLO CC[N@H+](CCCNC(=O)NOCc1cccnc1)c1ccccc1 ZINC000161026350 473200137 /nfs/dbraw/zinc/20/01/37/473200137.db2.gz NCXRAJCIQLXYLL-UHFFFAOYSA-N 1 2 328.416 2.729 20 70 EFIDLO CC[N@@H+](CCCNC(=O)NOCc1cccnc1)c1ccccc1 ZINC000161026350 473200143 /nfs/dbraw/zinc/20/01/43/473200143.db2.gz NCXRAJCIQLXYLL-UHFFFAOYSA-N 1 2 328.416 2.729 20 70 EFIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000161132580 473210401 /nfs/dbraw/zinc/21/04/01/473210401.db2.gz YGGLAECMZHPHCM-AWEZNQCLSA-N 1 2 343.427 2.948 20 70 EFIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000161132580 473210405 /nfs/dbraw/zinc/21/04/05/473210405.db2.gz YGGLAECMZHPHCM-AWEZNQCLSA-N 1 2 343.427 2.948 20 70 EFIDLO CC(=O)c1c(C)cc(C)c(CS(=O)(=O)Cc2[nH+]ccn2C)c1C ZINC000161175965 473215141 /nfs/dbraw/zinc/21/51/41/473215141.db2.gz APEVVFWGVODNQF-UHFFFAOYSA-N 1 2 334.441 2.663 20 70 EFIDLO O=C(/C=C/c1nc2ccccc2o1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161254522 473220708 /nfs/dbraw/zinc/22/07/08/473220708.db2.gz ZQIPUMJJCVCKMU-VFNNOXKTSA-N 1 2 334.379 2.631 20 70 EFIDLO CN(CC[NH+]1CCOCC1)C(=O)CCc1cc(Cl)cc(Cl)c1 ZINC000161251712 473220886 /nfs/dbraw/zinc/22/08/86/473220886.db2.gz BBUVDRUFASOABV-UHFFFAOYSA-N 1 2 345.270 2.717 20 70 EFIDLO O=C(NCC1(c2ccc(Cl)cc2)CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161264006 473222184 /nfs/dbraw/zinc/22/21/84/473222184.db2.gz FWWTWVCCAALUNX-ZDUSSCGKSA-N 1 2 329.831 2.947 20 70 EFIDLO CCn1c2ccccc2nc1[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161294723 473224598 /nfs/dbraw/zinc/22/45/98/473224598.db2.gz IGABSDVHARNJHL-ZIAGYGMSSA-N 1 2 337.427 2.693 20 70 EFIDLO C[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2CCCc2ccccc2)C1 ZINC000161393227 473231615 /nfs/dbraw/zinc/23/16/15/473231615.db2.gz NCQSJJJNTXEMNH-MOPGFXCFSA-N 1 2 330.472 2.721 20 70 EFIDLO C[N@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2CCCc2ccccc2)C1 ZINC000161393227 473231619 /nfs/dbraw/zinc/23/16/19/473231619.db2.gz NCQSJJJNTXEMNH-MOPGFXCFSA-N 1 2 330.472 2.721 20 70 EFIDLO C[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2CCCc2ccccc2)C1 ZINC000161393333 473231796 /nfs/dbraw/zinc/23/17/96/473231796.db2.gz NCQSJJJNTXEMNH-RTBURBONSA-N 1 2 330.472 2.721 20 70 EFIDLO C[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2CCCc2ccccc2)C1 ZINC000161393333 473231800 /nfs/dbraw/zinc/23/18/00/473231800.db2.gz NCQSJJJNTXEMNH-RTBURBONSA-N 1 2 330.472 2.721 20 70 EFIDLO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)ncn1 ZINC000161420448 473234342 /nfs/dbraw/zinc/23/43/42/473234342.db2.gz KLDJXJPXHOXUBD-UHFFFAOYSA-N 1 2 344.846 2.787 20 70 EFIDLO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)ncn1 ZINC000161420448 473234345 /nfs/dbraw/zinc/23/43/45/473234345.db2.gz KLDJXJPXHOXUBD-UHFFFAOYSA-N 1 2 344.846 2.787 20 70 EFIDLO CCN(C(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)c1ccccc1 ZINC000161471001 473238041 /nfs/dbraw/zinc/23/80/41/473238041.db2.gz YJNOIBCBBGKOQG-MRXNPFEDSA-N 1 2 344.377 2.675 20 70 EFIDLO CCC(=O)N1CCC[N@@H+]([C@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000159469567 473031392 /nfs/dbraw/zinc/03/13/92/473031392.db2.gz VAWBJOBIGSDPIR-OAHLLOKOSA-N 1 2 342.443 2.666 20 70 EFIDLO CCC(=O)N1CCC[N@H+]([C@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000159469567 473031397 /nfs/dbraw/zinc/03/13/97/473031397.db2.gz VAWBJOBIGSDPIR-OAHLLOKOSA-N 1 2 342.443 2.666 20 70 EFIDLO Cc1noc(Cl)c1CC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000159479427 473031800 /nfs/dbraw/zinc/03/18/00/473031800.db2.gz HTYSBAVNYKSSES-UHFFFAOYSA-N 1 2 339.182 2.796 20 70 EFIDLO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(F)cc(Cl)c2O)C1 ZINC000159566510 473040472 /nfs/dbraw/zinc/04/04/72/473040472.db2.gz IGMHSPYQLMGKHN-NSHDSACASA-N 1 2 328.815 2.892 20 70 EFIDLO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc(F)cc(Cl)c2O)C1 ZINC000159566510 473040478 /nfs/dbraw/zinc/04/04/78/473040478.db2.gz IGMHSPYQLMGKHN-NSHDSACASA-N 1 2 328.815 2.892 20 70 EFIDLO C[C@@H]1CCCC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159641123 473047099 /nfs/dbraw/zinc/04/70/99/473047099.db2.gz QWJAASRKOUUPGL-IAGOWNOFSA-N 1 2 330.476 2.735 20 70 EFIDLO CCC1(CC)[C@@H](NC(=O)NCCc2cn3c([nH+]2)CCCC3)C[C@@H]1OC ZINC000159782590 473060559 /nfs/dbraw/zinc/06/05/59/473060559.db2.gz DWPXNWHIAIXTFU-HOTGVXAUSA-N 1 2 348.491 2.655 20 70 EFIDLO CC(C)[C@H](SCC[NH+]1CCOCC1)C(=O)NC1CCCCCC1 ZINC000159785006 473061168 /nfs/dbraw/zinc/06/11/68/473061168.db2.gz CFFKVQYGQGLXBE-KRWDZBQOSA-N 1 2 342.549 2.915 20 70 EFIDLO C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000159824986 473063113 /nfs/dbraw/zinc/06/31/13/473063113.db2.gz HOOPMRKHAPSVJP-KDOFPFPSSA-N 1 2 325.412 2.553 20 70 EFIDLO C[C@H]1CC(=O)CC[C@@H]1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000159825106 473064823 /nfs/dbraw/zinc/06/48/23/473064823.db2.gz HOOPMRKHAPSVJP-KSSFIOAISA-N 1 2 325.412 2.553 20 70 EFIDLO O=C(Nc1ccc(Br)cc1O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159868898 473067971 /nfs/dbraw/zinc/06/79/71/473067971.db2.gz SLLXDOJLSUZFMN-SECBINFHSA-N 1 2 336.189 2.552 20 70 EFIDLO CCCOC(=O)[C@H](C)[NH+]1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000159892905 473070196 /nfs/dbraw/zinc/07/01/96/473070196.db2.gz XURWIEOMZMASHG-ZDUSSCGKSA-N 1 2 338.473 2.592 20 70 EFIDLO O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000160041493 473082793 /nfs/dbraw/zinc/08/27/93/473082793.db2.gz NSTCEBVUPVIRNE-LSDHHAIUSA-N 1 2 345.393 2.960 20 70 EFIDLO COc1cccc([C@H](O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)c1 ZINC000160095773 473087278 /nfs/dbraw/zinc/08/72/78/473087278.db2.gz FMNIGSHLTBPNBF-KRWDZBQOSA-N 1 2 337.379 2.768 20 70 EFIDLO CC(C)(C)NC(=O)c1cccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000160101020 473087331 /nfs/dbraw/zinc/08/73/31/473087331.db2.gz WDMOKNBOZZIRAY-CQSZACIVSA-N 1 2 340.427 2.613 20 70 EFIDLO O=C(Nc1ccc(OC(F)F)c(F)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160120651 473089595 /nfs/dbraw/zinc/08/95/95/473089595.db2.gz PFSBWWCHXCLGRQ-SECBINFHSA-N 1 2 325.290 2.825 20 70 EFIDLO COC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000160150183 473090739 /nfs/dbraw/zinc/09/07/39/473090739.db2.gz WCLVFWSBMICPHR-AAEUAGOBSA-N 1 2 333.363 2.617 20 70 EFIDLO COC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000160150183 473090743 /nfs/dbraw/zinc/09/07/43/473090743.db2.gz WCLVFWSBMICPHR-AAEUAGOBSA-N 1 2 333.363 2.617 20 70 EFIDLO CCOC(=O)C[C@@H](C)NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000160256384 473101963 /nfs/dbraw/zinc/10/19/63/473101963.db2.gz XKDSSRDVONTCFM-CYBMUJFWSA-N 1 2 328.368 2.945 20 70 EFIDLO CC(C)COc1ccccc1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160302382 473105833 /nfs/dbraw/zinc/10/58/33/473105833.db2.gz KPQWJMAHEQRPFS-HNNXBMFYSA-N 1 2 327.428 2.797 20 70 EFIDLO CCc1nnc(C[NH2+][C@@H](COC)c2cccc(C(F)(F)F)c2)[nH]1 ZINC000160446763 473126128 /nfs/dbraw/zinc/12/61/28/473126128.db2.gz JWBLASAQGQCSGV-LBPRGKRZSA-N 1 2 328.338 2.863 20 70 EFIDLO C[C@H]1C[NH+](C[C@@H]2CCCN2c2c(F)c(F)nc(F)c2F)C[C@H](C)O1 ZINC000160502543 473133752 /nfs/dbraw/zinc/13/37/52/473133752.db2.gz RHVJUNJSBIILBF-DCAQKATOSA-N 1 2 347.356 2.716 20 70 EFIDLO CCC[C@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CCO1 ZINC000160538933 473139012 /nfs/dbraw/zinc/13/90/12/473139012.db2.gz JCBXVOKUYNXVCI-INIZCTEOSA-N 1 2 328.416 2.583 20 70 EFIDLO CN(CC[N@H+](C)CN1C(=O)C[C@H]1c1ccccc1)C(=O)OC(C)(C)C ZINC000160546443 473141054 /nfs/dbraw/zinc/14/10/54/473141054.db2.gz HSAISZHHEWPVSG-INIZCTEOSA-N 1 2 347.459 2.716 20 70 EFIDLO CN(CC[N@@H+](C)CN1C(=O)C[C@H]1c1ccccc1)C(=O)OC(C)(C)C ZINC000160546443 473141061 /nfs/dbraw/zinc/14/10/61/473141061.db2.gz HSAISZHHEWPVSG-INIZCTEOSA-N 1 2 347.459 2.716 20 70 EFIDLO CC[N@H+](Cc1cnc(-c2cccs2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000160568708 473143472 /nfs/dbraw/zinc/14/34/72/473143472.db2.gz NAFYLXVGZIYBFI-NSHDSACASA-N 1 2 342.511 2.881 20 70 EFIDLO CC[N@@H+](Cc1cnc(-c2cccs2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000160568708 473143479 /nfs/dbraw/zinc/14/34/79/473143479.db2.gz NAFYLXVGZIYBFI-NSHDSACASA-N 1 2 342.511 2.881 20 70 EFIDLO CN(C)c1ccccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160570192 473143643 /nfs/dbraw/zinc/14/36/43/473143643.db2.gz KHYRNUZKFCUCAC-AWEZNQCLSA-N 1 2 325.416 2.548 20 70 EFIDLO CCC[C@@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC000160567530 473143879 /nfs/dbraw/zinc/14/38/79/473143879.db2.gz GSURYJITIJSGBR-OAHLLOKOSA-N 1 2 346.406 2.722 20 70 EFIDLO CC(C)S(=O)(=O)CCC[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000160588289 473147583 /nfs/dbraw/zinc/14/75/83/473147583.db2.gz FOUYPXSBDNUAKL-UHFFFAOYSA-N 1 2 338.517 2.932 20 70 EFIDLO CC(C)S(=O)(=O)CCC[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000160588289 473147590 /nfs/dbraw/zinc/14/75/90/473147590.db2.gz FOUYPXSBDNUAKL-UHFFFAOYSA-N 1 2 338.517 2.932 20 70 EFIDLO COc1cc(F)ccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160632540 473153509 /nfs/dbraw/zinc/15/35/09/473153509.db2.gz OYAFYDIQIAQGNQ-CYBMUJFWSA-N 1 2 330.363 2.630 20 70 EFIDLO Cc1cc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)ccc1N(C)C ZINC000160677072 473160002 /nfs/dbraw/zinc/16/00/02/473160002.db2.gz BLYHSLIQVBNGKP-INIZCTEOSA-N 1 2 339.443 2.856 20 70 EFIDLO Cc1c(NC(=O)NCCn2cc[nH+]c2)cnn1-c1cc(C)ccc1C ZINC000160705043 473163799 /nfs/dbraw/zinc/16/37/99/473163799.db2.gz QEHGBOHRHCPYAK-UHFFFAOYSA-N 1 2 338.415 2.816 20 70 EFIDLO O=C(N[C@H]1CCOC2(CCCCC2)C1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000160714485 473165942 /nfs/dbraw/zinc/16/59/42/473165942.db2.gz BKFOOFZNYOKMMC-INIZCTEOSA-N 1 2 340.427 2.879 20 70 EFIDLO CC(C)n1cc[nH+]c1CN1CCN(c2ncnc3sccc32)CC1 ZINC000160748693 473170598 /nfs/dbraw/zinc/17/05/98/473170598.db2.gz IJABCUGIFXPDLK-UHFFFAOYSA-N 1 2 342.472 2.791 20 70 EFIDLO O=C(Nc1ccccc1-n1cccn1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160783895 473174444 /nfs/dbraw/zinc/17/44/44/473174444.db2.gz FGFPTYZYBOFFMJ-HNNXBMFYSA-N 1 2 348.410 2.668 20 70 EFIDLO CCOC(=O)CC[C@H]1CCCN(c2nc(C(C)C)[nH+]c(N(C)C)n2)C1 ZINC000160821747 473178727 /nfs/dbraw/zinc/17/87/27/473178727.db2.gz BOIHRAQDRMRDJX-CQSZACIVSA-N 1 2 349.479 2.621 20 70 EFIDLO CCOC(=O)CC[C@H]1CCCN(c2nc(N(C)C)nc(C(C)C)[nH+]2)C1 ZINC000160821747 473178729 /nfs/dbraw/zinc/17/87/29/473178729.db2.gz BOIHRAQDRMRDJX-CQSZACIVSA-N 1 2 349.479 2.621 20 70 EFIDLO CC[C@]1(C)C[C@H]1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000160835539 473180484 /nfs/dbraw/zinc/18/04/84/473180484.db2.gz HOEDOKDEKKMTDF-FXAWDEMLSA-N 1 2 343.471 2.642 20 70 EFIDLO CC[C@@]1(C)C[C@@H]1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000160835419 473181081 /nfs/dbraw/zinc/18/10/81/473181081.db2.gz HOEDOKDEKKMTDF-XLIONFOSSA-N 1 2 343.471 2.642 20 70 EFIDLO O=C(Cc1ccc(O)cc1Cl)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000160951170 473194159 /nfs/dbraw/zinc/19/41/59/473194159.db2.gz SYFBRDVLUYBRRF-OAHLLOKOSA-N 1 2 332.787 2.663 20 70 EFIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000161053297 473202981 /nfs/dbraw/zinc/20/29/81/473202981.db2.gz NPMZKRGFSLQTCN-CYBMUJFWSA-N 1 2 327.384 2.659 20 70 EFIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000161053297 473202984 /nfs/dbraw/zinc/20/29/84/473202984.db2.gz NPMZKRGFSLQTCN-CYBMUJFWSA-N 1 2 327.384 2.659 20 70 EFIDLO CC[N@H+](Cc1ccccn1)[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000161063409 473203689 /nfs/dbraw/zinc/20/36/89/473203689.db2.gz HNXRPNPXIXSYSR-QGZVFWFLSA-N 1 2 325.412 2.718 20 70 EFIDLO CC[N@@H+](Cc1ccccn1)[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000161063409 473203692 /nfs/dbraw/zinc/20/36/92/473203692.db2.gz HNXRPNPXIXSYSR-QGZVFWFLSA-N 1 2 325.412 2.718 20 70 EFIDLO COC(=O)C1([NH2+]C[C@@H](O)COc2c(C)ccc(C)c2C)CCCCC1 ZINC000217139310 474142165 /nfs/dbraw/zinc/14/21/65/474142165.db2.gz ORVYIJRTSYYGSG-QGZVFWFLSA-N 1 2 349.471 2.817 20 70 EFIDLO C[C@H]1CC(=O)CC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000159394354 534162714 /nfs/dbraw/zinc/16/27/14/534162714.db2.gz HJYXWKPOPFICRA-KXBFYZLASA-N 1 2 346.446 2.865 20 70 EFIDLO C[C@H]1CC(=O)CC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000159394354 534162721 /nfs/dbraw/zinc/16/27/21/534162721.db2.gz HJYXWKPOPFICRA-KXBFYZLASA-N 1 2 346.446 2.865 20 70 EFIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+]3CCS[C@@H](C)[C@H]3C)c2c1 ZINC000161159722 534248468 /nfs/dbraw/zinc/24/84/68/534248468.db2.gz XZHRVUGOECNFAB-NEPJUHHUSA-N 1 2 346.452 2.963 20 70 EFIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+]3CCS[C@@H](C)[C@H]3C)c2c1 ZINC000161159722 534248472 /nfs/dbraw/zinc/24/84/72/534248472.db2.gz XZHRVUGOECNFAB-NEPJUHHUSA-N 1 2 346.452 2.963 20 70 EFIDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@@H]1CCC(=O)C[C@@H]1C ZINC000159551214 534683107 /nfs/dbraw/zinc/68/31/07/534683107.db2.gz CXVDMRUYTOZPEC-XJKSGUPXSA-N 1 2 327.428 2.856 20 70 EFIDLO CCC[N@H+](CC(=O)N1CCC[C@H](C)C1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000159976183 527887167 /nfs/dbraw/zinc/88/71/67/527887167.db2.gz MDDCEDIMWHHGKL-IRXDYDNUSA-N 1 2 345.487 2.984 20 70 EFIDLO CCC[N@@H+](CC(=O)N1CCC[C@H](C)C1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000159976183 527887169 /nfs/dbraw/zinc/88/71/69/527887169.db2.gz MDDCEDIMWHHGKL-IRXDYDNUSA-N 1 2 345.487 2.984 20 70 EFIDLO CC(C)Oc1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000218082185 577226291 /nfs/dbraw/zinc/22/62/91/577226291.db2.gz KGVCURRAVGBBDZ-MRXNPFEDSA-N 1 2 325.412 2.878 20 70 EFIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cc2ccccc2cc1O ZINC000161366852 239071143 /nfs/dbraw/zinc/07/11/43/239071143.db2.gz XHPVQLWAQYOXOE-MRXNPFEDSA-N 1 2 333.391 2.949 20 70 EFIDLO CSc1ccc(NC(=O)[C@H](C)SCC[NH+]2CCOCC2)cc1 ZINC000159827113 206264951 /nfs/dbraw/zinc/26/49/51/206264951.db2.gz PGNMHJRXVAHCSW-ZDUSSCGKSA-N 1 2 340.514 2.801 20 70 EFIDLO C[C@@H](SCC[NH+]1CCOCC1)c1nc(Cc2ccccc2)no1 ZINC000159809829 206265044 /nfs/dbraw/zinc/26/50/44/206265044.db2.gz MWAAERDPXOHXPP-CQSZACIVSA-N 1 2 333.457 2.787 20 70 EFIDLO C[C@@]1(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCCS1 ZINC000159859575 206267403 /nfs/dbraw/zinc/26/74/03/206267403.db2.gz KIUGWDMKGAUGPQ-KRWDZBQOSA-N 1 2 334.489 2.767 20 70 EFIDLO CCCCc1nnc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000160077746 206277616 /nfs/dbraw/zinc/27/76/16/206277616.db2.gz MNQCDVXFHAOBJR-LBPRGKRZSA-N 1 2 346.460 2.676 20 70 EFIDLO CC[C@H](CC(=O)NC[C@H](C)[NH+]1CCN(C)CC1)c1ccc(C)cc1 ZINC000160154354 206282182 /nfs/dbraw/zinc/28/21/82/206282182.db2.gz GKZZIGLXJYQXFM-ZWKOTPCHSA-N 1 2 331.504 2.631 20 70 EFIDLO CC[C@H](OC1CCCCC1)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160191095 206283002 /nfs/dbraw/zinc/28/30/02/206283002.db2.gz WFGNJILYGGVHKP-IBGZPJMESA-N 1 2 345.487 2.854 20 70 EFIDLO COC[C@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)C1CC1 ZINC000160189475 206283269 /nfs/dbraw/zinc/28/32/69/206283269.db2.gz WZNZVAJUVAVQSF-INIZCTEOSA-N 1 2 344.415 2.509 20 70 EFIDLO COC[C@@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)C1CC1 ZINC000160189608 206283868 /nfs/dbraw/zinc/28/38/68/206283868.db2.gz WZNZVAJUVAVQSF-MRXNPFEDSA-N 1 2 344.415 2.509 20 70 EFIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCc2cccc(F)c2C1 ZINC000160228389 206284738 /nfs/dbraw/zinc/28/47/38/206284738.db2.gz VCZWHOPMOMIBAQ-OAHLLOKOSA-N 1 2 340.402 2.567 20 70 EFIDLO c1ccc(-c2nsc(N3CCC[C@H]3C[NH+]3CCOCC3)n2)cc1 ZINC000160393922 206294180 /nfs/dbraw/zinc/29/41/80/206294180.db2.gz TXASBABQBNMDGM-HNNXBMFYSA-N 1 2 330.457 2.506 20 70 EFIDLO O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000160714362 206310026 /nfs/dbraw/zinc/31/00/26/206310026.db2.gz BKFOOFZNYOKMMC-MRXNPFEDSA-N 1 2 340.427 2.879 20 70 EFIDLO CCO[C@H]1C[C@@H](N(C)C(=O)NCc2cn3ccccc3[nH+]2)C12CCC2 ZINC000160761821 206312461 /nfs/dbraw/zinc/31/24/61/206312461.db2.gz WQZZKHZUMXBZMB-CVEARBPZSA-N 1 2 342.443 2.823 20 70 EFIDLO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C(=O)OC)c2ccccc2)C[C@@H]1C ZINC000161039504 206325136 /nfs/dbraw/zinc/32/51/36/206325136.db2.gz LPJQDNNJGSEREK-SVGFKBNWSA-N 1 2 333.428 2.858 20 70 EFIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000161076316 206326855 /nfs/dbraw/zinc/32/68/55/206326855.db2.gz RNUMHLKQCKOPEB-CQSZACIVSA-N 1 2 341.411 2.702 20 70 EFIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000161076316 206326859 /nfs/dbraw/zinc/32/68/59/206326859.db2.gz RNUMHLKQCKOPEB-CQSZACIVSA-N 1 2 341.411 2.702 20 70 EFIDLO Cc1ccsc1[C@H]1C[C@H]1C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000160621228 206306091 /nfs/dbraw/zinc/30/60/91/206306091.db2.gz YBULZCXCBQTFQO-DLBZAZTESA-N 1 2 341.480 2.899 20 70 EFIDLO Cc1ccccc1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161194668 206334165 /nfs/dbraw/zinc/33/41/65/206334165.db2.gz KQOUMTMSIXNFLN-QGZVFWFLSA-N 1 2 338.455 2.535 20 70 EFIDLO Cc1[nH+]c2ccccc2n1CCNC(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000161230719 206335711 /nfs/dbraw/zinc/33/57/11/206335711.db2.gz REVMDJBPWPELKI-CQSZACIVSA-N 1 2 330.432 2.602 20 70 EFIDLO Cc1[nH]c2ccccc2c1CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161220288 206335845 /nfs/dbraw/zinc/33/58/45/206335845.db2.gz QEWBMVDZCCXBAR-OAHLLOKOSA-N 1 2 334.423 2.809 20 70 EFIDLO Cc1c2ccccc2oc(=O)c1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161400354 206346012 /nfs/dbraw/zinc/34/60/12/206346012.db2.gz GKZVETBWHHGTIS-CQSZACIVSA-N 1 2 349.390 2.505 20 70 EFIDLO Cc1c2ccccc2oc(=O)c1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161400474 206346209 /nfs/dbraw/zinc/34/62/09/206346209.db2.gz GKZVETBWHHGTIS-AWEZNQCLSA-N 1 2 349.390 2.505 20 70 EFIDLO CCCn1c(C)nnc1CN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161410538 206346924 /nfs/dbraw/zinc/34/69/24/206346924.db2.gz APPGCPNBMFSHTC-UHFFFAOYSA-N 1 2 347.894 2.968 20 70 EFIDLO O=C(NCCc1cn2ccccc2[nH+]1)c1csc([C@H]2CCCO2)n1 ZINC000161435651 206347948 /nfs/dbraw/zinc/34/79/48/206347948.db2.gz SWCMXDLJSMKDHW-CQSZACIVSA-N 1 2 342.424 2.615 20 70 EFIDLO Cc1ccc2[nH]c([C@H]3CCCN3C(=O)[C@@H]3CCn4cc[nH+]c4C3)nc2c1 ZINC000161013511 544810393 /nfs/dbraw/zinc/81/03/93/544810393.db2.gz XEZQZIVGMNOLAD-RHSMWYFYSA-N 1 2 349.438 2.994 20 70 EFIDLO Cc1ccc2nc([C@H]3CCCN3C(=O)[C@@H]3CCn4cc[nH+]c4C3)[nH]c2c1 ZINC000161013511 544810396 /nfs/dbraw/zinc/81/03/96/544810396.db2.gz XEZQZIVGMNOLAD-RHSMWYFYSA-N 1 2 349.438 2.994 20 70 EFIDLO Cc1ccc(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cn1 ZINC000161453843 544814499 /nfs/dbraw/zinc/81/44/99/544814499.db2.gz QQLVPCSUWHEMPY-HNNXBMFYSA-N 1 2 325.416 2.696 20 70 EFIDLO CC[C@H](NC(=O)Nc1ccccc1C[NH+]1CCOCC1)[C@H]1CCCO1 ZINC000161434550 544815131 /nfs/dbraw/zinc/81/51/31/544815131.db2.gz WVPFWSLAQQRJKR-FUHWJXTLSA-N 1 2 347.459 2.598 20 70 EFIDLO CC[C@H](NC(=O)Nc1ccccc1C[NH+]1CCOCC1)[C@@H]1CCCO1 ZINC000161434299 544815170 /nfs/dbraw/zinc/81/51/70/544815170.db2.gz WVPFWSLAQQRJKR-WMZOPIPTSA-N 1 2 347.459 2.598 20 70 EFIDLO Cc1nccc(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)c1Cl ZINC000159424015 544794953 /nfs/dbraw/zinc/79/49/53/544794953.db2.gz YLVWABLSQAIWGZ-UHFFFAOYSA-N 1 2 345.834 2.788 20 70 EFIDLO COC1(CNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CCOCC1 ZINC000159362517 544795010 /nfs/dbraw/zinc/79/50/10/544795010.db2.gz UNHMZHRVIDWUJB-UHFFFAOYSA-N 1 2 342.395 2.799 20 70 EFIDLO Brc1ccccc1[C@@H]1CN(CCn2cc[nH+]c2)CCO1 ZINC000159789096 275375387 /nfs/dbraw/zinc/37/53/87/275375387.db2.gz JVNCLERYHCRXEQ-HNNXBMFYSA-N 1 2 336.233 2.719 20 70 EFIDLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000161397081 280142531 /nfs/dbraw/zinc/14/25/31/280142531.db2.gz FPBJSKZEHSGTNM-XJKSGUPXSA-N 1 2 345.830 2.699 20 70 EFIDLO CCCn1c(C)nnc1CN(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000159707356 310690340 /nfs/dbraw/zinc/69/03/40/310690340.db2.gz GNAMWQGANAGNIQ-UHFFFAOYSA-N 1 2 338.459 2.873 20 70 EFIDLO c1cn(CCSc2nnc([C@@H]3COc4ccccc4O3)o2)c[nH+]1 ZINC000159740857 310690716 /nfs/dbraw/zinc/69/07/16/310690716.db2.gz ZKRBEIJDILTWGB-ZDUSSCGKSA-N 1 2 330.369 2.571 20 70 EFIDLO CC(C)[C@@H](SCC[NH+]1CCOCC1)C(=O)Nc1ccccc1F ZINC000159780415 310691232 /nfs/dbraw/zinc/69/12/32/310691232.db2.gz PMIRBAAJTMQZJR-MRXNPFEDSA-N 1 2 340.464 2.854 20 70 EFIDLO CCCCNc1ccccc1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000160330411 310697684 /nfs/dbraw/zinc/69/76/84/310697684.db2.gz MNSGOIYYEMQBNR-UHFFFAOYSA-N 1 2 333.476 2.739 20 70 EFIDLO Cc1cc2cc(C[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)oc2cc1C ZINC000161010844 310704983 /nfs/dbraw/zinc/70/49/83/310704983.db2.gz IFQINLKCRPBQMR-GOSISDBHSA-N 1 2 342.439 2.873 20 70 EFIDLO CC[N@@H+](Cc1ccccn1)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000161084683 473205623 /nfs/dbraw/zinc/20/56/23/473205623.db2.gz PVIMKDQLVVQGFU-UHFFFAOYSA-N 1 2 328.803 2.994 20 70 EFIDLO CC[N@H+](Cc1ccccn1)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000161084683 473205626 /nfs/dbraw/zinc/20/56/26/473205626.db2.gz PVIMKDQLVVQGFU-UHFFFAOYSA-N 1 2 328.803 2.994 20 70 EFIDLO Cc1n[nH]cc1C[N@@H+](C)CC(=O)Nc1ccccc1Br ZINC000161180949 473214986 /nfs/dbraw/zinc/21/49/86/473214986.db2.gz VEWUEUAJLRUOKV-UHFFFAOYSA-N 1 2 337.221 2.551 20 70 EFIDLO CCc1cccc(OCCN2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000161191917 473216174 /nfs/dbraw/zinc/21/61/74/473216174.db2.gz CXAUWJWNDCCQLE-UHFFFAOYSA-N 1 2 325.456 2.841 20 70 EFIDLO O=C(NCC1(c2ccc(Cl)cc2)CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161263878 473221739 /nfs/dbraw/zinc/22/17/39/473221739.db2.gz FWWTWVCCAALUNX-CYBMUJFWSA-N 1 2 329.831 2.947 20 70 EFIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[NH+]3C[C@H](C)S[C@@H](C)C3)c2c1 ZINC000161287447 473223380 /nfs/dbraw/zinc/22/33/80/473223380.db2.gz SPNIHWAJXUQXEH-RYUDHWBXSA-N 1 2 346.452 2.963 20 70 EFIDLO C[C@H](C(=O)Nc1ccccc1)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161339704 473227601 /nfs/dbraw/zinc/22/76/01/473227601.db2.gz PCVRCKWPDUHJKL-RISCZKNCSA-N 1 2 330.350 2.649 20 70 EFIDLO C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159369138 473021750 /nfs/dbraw/zinc/02/17/50/473021750.db2.gz UKCCMTCBNULKOJ-HRAATJIYSA-N 1 2 342.483 2.998 20 70 EFIDLO C[C@@H](C(=O)NC1CCCCC1)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159369138 473021755 /nfs/dbraw/zinc/02/17/55/473021755.db2.gz UKCCMTCBNULKOJ-HRAATJIYSA-N 1 2 342.483 2.998 20 70 EFIDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)c1 ZINC000159387685 473023555 /nfs/dbraw/zinc/02/35/55/473023555.db2.gz QGRCRZCKJFTIPF-UHFFFAOYSA-N 1 2 347.378 2.519 20 70 EFIDLO CC(C)C[C@@H](CNC(=O)c1c(F)cc(F)cc1F)[NH+]1CCOCC1 ZINC000159474594 473031428 /nfs/dbraw/zinc/03/14/28/473031428.db2.gz RNCQJVKJJRHAPB-ZDUSSCGKSA-N 1 2 344.377 2.581 20 70 EFIDLO CC(C)C[C@H](CNC(=O)c1c(F)cc(F)cc1F)[NH+]1CCOCC1 ZINC000159474721 473031695 /nfs/dbraw/zinc/03/16/95/473031695.db2.gz RNCQJVKJJRHAPB-CYBMUJFWSA-N 1 2 344.377 2.581 20 70 EFIDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159601018 473042703 /nfs/dbraw/zinc/04/27/03/473042703.db2.gz PAEFKXOBXKUBEJ-CBGDNZLLSA-N 1 2 342.483 2.950 20 70 EFIDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159601018 473042707 /nfs/dbraw/zinc/04/27/07/473042707.db2.gz PAEFKXOBXKUBEJ-CBGDNZLLSA-N 1 2 342.483 2.950 20 70 EFIDLO Cc1nc2ccccn2c1C[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000159628492 473045059 /nfs/dbraw/zinc/04/50/59/473045059.db2.gz OBDZRAOWAZTBBZ-UHFFFAOYSA-N 1 2 344.365 2.991 20 70 EFIDLO Cc1nc2ccccn2c1C[N@@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000159628492 473045063 /nfs/dbraw/zinc/04/50/63/473045063.db2.gz OBDZRAOWAZTBBZ-UHFFFAOYSA-N 1 2 344.365 2.991 20 70 EFIDLO Cc1[nH+]c2ccccn2c1CN(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000159628492 473045071 /nfs/dbraw/zinc/04/50/71/473045071.db2.gz OBDZRAOWAZTBBZ-UHFFFAOYSA-N 1 2 344.365 2.991 20 70 EFIDLO CCCCn1ncc(NC(=O)NCc2cn3ccccc3[nH+]2)c1C ZINC000159747577 473056964 /nfs/dbraw/zinc/05/69/64/473056964.db2.gz DPZHVJDUVVZKKP-UHFFFAOYSA-N 1 2 326.404 2.961 20 70 EFIDLO c1coc(Cn2c(SCCn3cc[nH+]c3)nnc2N2CCCC2)c1 ZINC000159755430 473057706 /nfs/dbraw/zinc/05/77/06/473057706.db2.gz MIZCCCAGGREMDT-UHFFFAOYSA-N 1 2 344.444 2.508 20 70 EFIDLO Cc1cccc(C)c1CCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000159785059 473060798 /nfs/dbraw/zinc/06/07/98/473060798.db2.gz UZYRJFUYFDLKMX-UHFFFAOYSA-N 1 2 340.471 2.921 20 70 EFIDLO Cc1ccccc1Cc1nc(CSCC[NH+]2CCOCC2)no1 ZINC000159801588 473061611 /nfs/dbraw/zinc/06/16/11/473061611.db2.gz MWSNATHJHQHBNY-UHFFFAOYSA-N 1 2 333.457 2.534 20 70 EFIDLO O=C1[C@@H](SCC[NH+]2CCOCC2)CCN1c1ccc(Cl)cc1 ZINC000159845730 473066391 /nfs/dbraw/zinc/06/63/91/473066391.db2.gz IFUBYWGIHHNJBQ-HNNXBMFYSA-N 1 2 340.876 2.511 20 70 EFIDLO CCCOC(=O)[C@@H](C)[NH+]1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000159892766 473070744 /nfs/dbraw/zinc/07/07/44/473070744.db2.gz XURWIEOMZMASHG-CYBMUJFWSA-N 1 2 338.473 2.592 20 70 EFIDLO CCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000159943940 473074638 /nfs/dbraw/zinc/07/46/38/473074638.db2.gz RSANKYKRFKPHJI-GOEBONIOSA-N 1 2 342.443 2.712 20 70 EFIDLO CCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000159943940 473074644 /nfs/dbraw/zinc/07/46/44/473074644.db2.gz RSANKYKRFKPHJI-GOEBONIOSA-N 1 2 342.443 2.712 20 70 EFIDLO Cc1ccc([C@@H](NC(=O)CSCC[NH+]2CCOCC2)C2CC2)cc1 ZINC000159977370 473076949 /nfs/dbraw/zinc/07/69/49/473076949.db2.gz ICHDVRPCNLFLNI-LJQANCHMSA-N 1 2 348.512 2.628 20 70 EFIDLO CO[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000160061922 473084527 /nfs/dbraw/zinc/08/45/27/473084527.db2.gz QXSWUMGVASIZKQ-IAGOWNOFSA-N 1 2 346.475 2.685 20 70 EFIDLO CCCOCc1ccccc1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160099335 473087560 /nfs/dbraw/zinc/08/75/60/473087560.db2.gz QBGIDBFTXGZUIG-OAHLLOKOSA-N 1 2 327.428 2.689 20 70 EFIDLO CCC[C@@H]1CN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CCO1 ZINC000160174174 473094208 /nfs/dbraw/zinc/09/42/08/473094208.db2.gz ODJIKHORYQCESQ-GOSISDBHSA-N 1 2 342.443 2.642 20 70 EFIDLO CCCOC(=O)[C@@H](C)[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000160266603 473101948 /nfs/dbraw/zinc/10/19/48/473101948.db2.gz CXUWVTWAIUDICH-CYBMUJFWSA-N 1 2 344.415 2.653 20 70 EFIDLO CCc1nnc(C[NH2+][C@@H](CC(=O)OC(C)C)c2ccc(C)cc2)[nH]1 ZINC000160283862 473105484 /nfs/dbraw/zinc/10/54/84/473105484.db2.gz KIHUTQLAGZLKRH-HNNXBMFYSA-N 1 2 330.432 2.848 20 70 EFIDLO CCCOc1c(Cl)cc(C[N@@H+]2CCC[C@H]2C(N)=O)cc1OCC ZINC000160357711 473111842 /nfs/dbraw/zinc/11/18/42/473111842.db2.gz ZCTUUEHHGBGVCZ-AWEZNQCLSA-N 1 2 340.851 2.977 20 70 EFIDLO CCCOc1c(Cl)cc(C[N@H+]2CCC[C@H]2C(N)=O)cc1OCC ZINC000160357711 473111848 /nfs/dbraw/zinc/11/18/48/473111848.db2.gz ZCTUUEHHGBGVCZ-AWEZNQCLSA-N 1 2 340.851 2.977 20 70 EFIDLO CC(C)CCn1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)n1 ZINC000160477976 473130241 /nfs/dbraw/zinc/13/02/41/473130241.db2.gz FDKRPHJLCAFFQI-UHFFFAOYSA-N 1 2 330.436 2.995 20 70 EFIDLO CN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc2c(c1)OCO2 ZINC000160576824 473145029 /nfs/dbraw/zinc/14/50/29/473145029.db2.gz SXUXQLDMFLHFNL-UHFFFAOYSA-N 1 2 335.363 2.937 20 70 EFIDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC1(c2ccccc2Cl)CC1 ZINC000160646919 473156907 /nfs/dbraw/zinc/15/69/07/473156907.db2.gz ASDXJJKQSANBBU-ZDUSSCGKSA-N 1 2 332.835 2.956 20 70 EFIDLO CC(C)(C)c1nc(CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)cs1 ZINC000160732845 473166994 /nfs/dbraw/zinc/16/69/94/473166994.db2.gz LNPLUMLXKORMPO-GFCCVEGCSA-N 1 2 332.473 2.558 20 70 EFIDLO COC(=O)c1csc(NC(=O)NCCCNc2cccc[nH+]2)c1 ZINC000160759664 473171977 /nfs/dbraw/zinc/17/19/77/473171977.db2.gz VYCROMODNBLGBC-UHFFFAOYSA-N 1 2 334.401 2.553 20 70 EFIDLO CC(C)(C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)C1CCCC1 ZINC000160871140 473185821 /nfs/dbraw/zinc/18/58/21/473185821.db2.gz SLZLEVWUYUGOHK-SFHVURJKSA-N 1 2 340.533 2.527 20 70 EFIDLO C[C@H](Cc1nc2ccccc2s1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160891366 473188474 /nfs/dbraw/zinc/18/84/74/473188474.db2.gz DMENLGDDVCAKQG-CHWSQXEVSA-N 1 2 340.452 2.803 20 70 EFIDLO Cc1nc2ccccn2c1C[NH2+][C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000160977167 473195625 /nfs/dbraw/zinc/19/56/25/473195625.db2.gz DEOBQUXZUUUPLM-SFHVURJKSA-N 1 2 342.830 2.786 20 70 EFIDLO CC(C)(CNC(=O)C1=NN(c2ccccc2)CC1=O)[NH+]1CCCCC1 ZINC000218345165 474145335 /nfs/dbraw/zinc/14/53/35/474145335.db2.gz BBDQWZIBJMVVQA-UHFFFAOYSA-N 1 2 342.443 2.572 20 70 EFIDLO COc1cc(F)cc2sc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)nc21 ZINC000161413768 522597516 /nfs/dbraw/zinc/59/75/16/522597516.db2.gz GCGYTJNIEYFXMZ-SECBINFHSA-N 1 2 346.387 2.842 20 70 EFIDLO CCOCCC1(C(=O)N2CC[NH+](Cc3cccs3)CC2)CCC1 ZINC000160667394 528601221 /nfs/dbraw/zinc/60/12/21/528601221.db2.gz QMISUWIIOCCRHK-UHFFFAOYSA-N 1 2 336.501 2.989 20 70 EFIDLO CCC(CC)n1nccc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000160630053 528911718 /nfs/dbraw/zinc/91/17/18/528911718.db2.gz HOTWIWVEYKIFFD-UHFFFAOYSA-N 1 2 327.432 2.602 20 70 EFIDLO CCCCn1ncc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1C ZINC000160681610 529096554 /nfs/dbraw/zinc/09/65/54/529096554.db2.gz IPJTYCYDMVFPIL-UHFFFAOYSA-N 1 2 341.459 2.917 20 70 EFIDLO CN(CCCOc1ccc(F)cc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000159861989 529895093 /nfs/dbraw/zinc/89/50/93/529895093.db2.gz CUESYICWWQFUPP-AWEZNQCLSA-N 1 2 331.391 2.512 20 70 EFIDLO COc1cc(-c2noc(CSCC[NH+]3CCOCC3)n2)ccc1C ZINC000159850380 533458900 /nfs/dbraw/zinc/45/89/00/533458900.db2.gz USZHMFABIWLTQX-UHFFFAOYSA-N 1 2 349.456 2.619 20 70 EFIDLO O=C(NCc1cn2ccccc2[nH+]1)c1csc([C@H]2CCCO2)n1 ZINC000159493613 225229084 /nfs/dbraw/zinc/22/90/84/225229084.db2.gz LMPJPDFELZWGCF-CYBMUJFWSA-N 1 2 328.397 2.572 20 70 EFIDLO Cc1cc(-c2noc(CSCC[NH+]3CCOCC3)n2)ccc1F ZINC000159937378 225306062 /nfs/dbraw/zinc/30/60/62/225306062.db2.gz ALYUMKUNAOUPHF-UHFFFAOYSA-N 1 2 337.420 2.750 20 70 EFIDLO Cc1cc(C)c(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)[nH]1 ZINC000160147938 225348343 /nfs/dbraw/zinc/34/83/43/225348343.db2.gz ZLFNZALYVZMOAV-UHFFFAOYSA-N 1 2 341.459 2.816 20 70 EFIDLO O=C(CC[C@H]1CCCO1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161306366 544812612 /nfs/dbraw/zinc/81/26/12/544812612.db2.gz FEBQVMVUGICFKH-MRXNPFEDSA-N 1 2 336.863 2.943 20 70 EFIDLO Cc1ccc(NC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cn1 ZINC000161477506 544814402 /nfs/dbraw/zinc/81/44/02/544814402.db2.gz MCEKLMVXFOCZDE-SFHVURJKSA-N 1 2 340.427 2.585 20 70 EFIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](C)Cc3ccco3)c2c1 ZINC000160382153 273022149 /nfs/dbraw/zinc/02/21/49/273022149.db2.gz WTSBZFQKHKBIQH-UHFFFAOYSA-N 1 2 326.352 2.862 20 70 EFIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+](C)Cc3ccco3)c2c1 ZINC000160382153 273022150 /nfs/dbraw/zinc/02/21/50/273022150.db2.gz WTSBZFQKHKBIQH-UHFFFAOYSA-N 1 2 326.352 2.862 20 70 EFIDLO O=C(N[C@@H]1CCC[C@H](C2CC2)C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160384244 273022168 /nfs/dbraw/zinc/02/21/68/273022168.db2.gz GAYPOPDFZHLEIG-ZWKOTPCHSA-N 1 2 342.487 2.878 20 70 EFIDLO CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159650621 276206211 /nfs/dbraw/zinc/20/62/11/276206211.db2.gz FUXNBGDTROKBKD-FOIQADDNSA-N 1 2 330.472 2.854 20 70 EFIDLO CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159650621 276206212 /nfs/dbraw/zinc/20/62/12/276206212.db2.gz FUXNBGDTROKBKD-FOIQADDNSA-N 1 2 330.472 2.854 20 70 EFIDLO CC(C)[C@H](SCC[NH+]1CCOCC1)C(=O)N(C)c1ccccc1 ZINC000159867129 310692159 /nfs/dbraw/zinc/69/21/59/310692159.db2.gz IJWAVGDBDBVESA-KRWDZBQOSA-N 1 2 336.501 2.739 20 70 EFIDLO CCN(Cc1c[nH+]c2ccc(C)cn12)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159919224 310692909 /nfs/dbraw/zinc/69/29/09/310692909.db2.gz KHZOKXLDGBIFKM-UHFFFAOYSA-N 1 2 347.422 2.901 20 70 EFIDLO CCCCn1ncc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)c1C ZINC000160126992 310695305 /nfs/dbraw/zinc/69/53/05/310695305.db2.gz GNVJBNHDFZCIJL-UHFFFAOYSA-N 1 2 344.463 2.889 20 70 EFIDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1ccccc1SC ZINC000161085387 473205172 /nfs/dbraw/zinc/20/51/72/473205172.db2.gz MMYPQZFGMZQXDV-CYBMUJFWSA-N 1 2 332.473 2.991 20 70 EFIDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1ccccc1SC ZINC000161085387 473205177 /nfs/dbraw/zinc/20/51/77/473205177.db2.gz MMYPQZFGMZQXDV-CYBMUJFWSA-N 1 2 332.473 2.991 20 70 EFIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000161085227 473205508 /nfs/dbraw/zinc/20/55/08/473205508.db2.gz NYGJSBALVTWKEH-CQSZACIVSA-N 1 2 343.427 2.948 20 70 EFIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000161085227 473205509 /nfs/dbraw/zinc/20/55/09/473205509.db2.gz NYGJSBALVTWKEH-CQSZACIVSA-N 1 2 343.427 2.948 20 70 EFIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000161093375 473206451 /nfs/dbraw/zinc/20/64/51/473206451.db2.gz UOPODDMHUDCPMS-AWEZNQCLSA-N 1 2 343.427 2.948 20 70 EFIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000161093375 473206454 /nfs/dbraw/zinc/20/64/54/473206454.db2.gz UOPODDMHUDCPMS-AWEZNQCLSA-N 1 2 343.427 2.948 20 70 EFIDLO CC(C)COC[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccco1 ZINC000161107399 473207185 /nfs/dbraw/zinc/20/71/85/473207185.db2.gz DGPYIGZSALPSNI-HUUCEWRRSA-N 1 2 331.416 2.569 20 70 EFIDLO CCC[N@H+](Cc1cnc(C2CCC2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000161113898 473208465 /nfs/dbraw/zinc/20/84/65/473208465.db2.gz PMMLHLROQXZPTJ-CYBMUJFWSA-N 1 2 328.503 2.810 20 70 EFIDLO CCC[N@@H+](Cc1cnc(C2CCC2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000161113898 473208466 /nfs/dbraw/zinc/20/84/66/473208466.db2.gz PMMLHLROQXZPTJ-CYBMUJFWSA-N 1 2 328.503 2.810 20 70 EFIDLO Cc1ccc(C)c(OCCN2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000161176382 473215089 /nfs/dbraw/zinc/21/50/89/473215089.db2.gz RWHZWSVHVKARDC-UHFFFAOYSA-N 1 2 325.456 2.895 20 70 EFIDLO CC(C)[C@@H](C(=O)Nc1cnc(C(C)(C)C)nc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000161218845 473218035 /nfs/dbraw/zinc/21/80/35/473218035.db2.gz KMVQCNGLVSDRQW-FMKPAKJESA-N 1 2 348.491 2.846 20 70 EFIDLO C[C@H]1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C[C@@H]1C ZINC000161243649 473220019 /nfs/dbraw/zinc/22/00/19/473220019.db2.gz UDQHCWUGEYLLKP-YESZJQIVSA-N 1 2 330.476 2.734 20 70 EFIDLO COC(=O)c1cccc(CNc2cc(N3CCCCC3)nc[nH+]2)c1 ZINC000161254654 473220633 /nfs/dbraw/zinc/22/06/33/473220633.db2.gz RSKQKSXTTZAFLX-UHFFFAOYSA-N 1 2 326.400 2.866 20 70 EFIDLO COC(=O)c1cccc(CNc2cc(N3CCCCC3)[nH+]cn2)c1 ZINC000161254654 473220637 /nfs/dbraw/zinc/22/06/37/473220637.db2.gz RSKQKSXTTZAFLX-UHFFFAOYSA-N 1 2 326.400 2.866 20 70 EFIDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cnn(-c2ccc(F)cc2)c1 ZINC000161282773 473224177 /nfs/dbraw/zinc/22/41/77/473224177.db2.gz FUUJPCBYDUOOHJ-KRWDZBQOSA-N 1 2 331.391 2.929 20 70 EFIDLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cnn(-c2ccc(F)cc2)c1 ZINC000161282773 473224183 /nfs/dbraw/zinc/22/41/83/473224183.db2.gz FUUJPCBYDUOOHJ-KRWDZBQOSA-N 1 2 331.391 2.929 20 70 EFIDLO Cc1ccc(CC(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)cn1 ZINC000161363926 473230023 /nfs/dbraw/zinc/23/00/23/473230023.db2.gz UQTMWRYQWRYKIU-UHFFFAOYSA-N 1 2 343.858 2.930 20 70 EFIDLO Cc1noc(C)c1[C@H](C)CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161475258 473237792 /nfs/dbraw/zinc/23/77/92/473237792.db2.gz JCGCIGUIYHWGIW-DOMZBBRYSA-N 1 2 328.416 2.575 20 70 EFIDLO Cc1noc(C)c1[C@@H](C)CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161475121 473238332 /nfs/dbraw/zinc/23/83/32/473238332.db2.gz JCGCIGUIYHWGIW-WFASDCNBSA-N 1 2 328.416 2.575 20 70 EFIDLO COC(=O)C1([N@H+](C)CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CCCC1 ZINC000159382304 473023342 /nfs/dbraw/zinc/02/33/42/473023342.db2.gz WRCUDKIIVJSXFI-HOTGVXAUSA-N 1 2 336.476 2.585 20 70 EFIDLO COC(=O)C1([N@@H+](C)CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CCCC1 ZINC000159382304 473023347 /nfs/dbraw/zinc/02/33/47/473023347.db2.gz WRCUDKIIVJSXFI-HOTGVXAUSA-N 1 2 336.476 2.585 20 70 EFIDLO CC(=O)N1CC[C@@H](NC(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)C1 ZINC000159547382 473037456 /nfs/dbraw/zinc/03/74/56/473037456.db2.gz MYRBAHFTVGHRSC-MRXNPFEDSA-N 1 2 339.395 2.533 20 70 EFIDLO C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159601261 473042218 /nfs/dbraw/zinc/04/22/18/473042218.db2.gz RDABFHLNMFRRRH-DYESRHJHSA-N 1 2 342.483 2.951 20 70 EFIDLO C[C@H](C(=O)N1CCCCCC1)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159601261 473042219 /nfs/dbraw/zinc/04/22/19/473042219.db2.gz RDABFHLNMFRRRH-DYESRHJHSA-N 1 2 342.483 2.951 20 70 EFIDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159600739 473042354 /nfs/dbraw/zinc/04/23/54/473042354.db2.gz PAEFKXOBXKUBEJ-LLGFUMIMSA-N 1 2 342.483 2.950 20 70 EFIDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159600739 473042357 /nfs/dbraw/zinc/04/23/57/473042357.db2.gz PAEFKXOBXKUBEJ-LLGFUMIMSA-N 1 2 342.483 2.950 20 70 EFIDLO C[C@H]1CCCC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159641271 473046682 /nfs/dbraw/zinc/04/66/82/473046682.db2.gz QWJAASRKOUUPGL-DLBZAZTESA-N 1 2 330.476 2.735 20 70 EFIDLO CCNC(=O)c1ccc(N(C)Cc2[nH+]ccn2Cc2ccccc2)nc1 ZINC000159699647 473052878 /nfs/dbraw/zinc/05/28/78/473052878.db2.gz USHJJPIBMFHSCS-UHFFFAOYSA-N 1 2 349.438 2.713 20 70 EFIDLO c1cn(CCSc2nnc([C@H]3COc4ccccc4O3)o2)c[nH+]1 ZINC000159740744 473056820 /nfs/dbraw/zinc/05/68/20/473056820.db2.gz ZKRBEIJDILTWGB-CYBMUJFWSA-N 1 2 330.369 2.571 20 70 EFIDLO CCC1(CC)[C@H](NC(=O)NCCc2cn3c([nH+]2)CCCC3)C[C@@H]1OC ZINC000159782450 473060397 /nfs/dbraw/zinc/06/03/97/473060397.db2.gz DWPXNWHIAIXTFU-CVEARBPZSA-N 1 2 348.491 2.655 20 70 EFIDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000159940559 473074524 /nfs/dbraw/zinc/07/45/24/473074524.db2.gz LMJAGLPPFPERMW-ZDUSSCGKSA-N 1 2 331.391 2.971 20 70 EFIDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000159940559 473074532 /nfs/dbraw/zinc/07/45/32/473074532.db2.gz LMJAGLPPFPERMW-ZDUSSCGKSA-N 1 2 331.391 2.971 20 70 EFIDLO Cc1cc(C(=O)NCCn2cc[nH+]c2)ccc1NC(=O)OC(C)(C)C ZINC000160022281 473081096 /nfs/dbraw/zinc/08/10/96/473081096.db2.gz ZOYVUHGYBJPAEI-UHFFFAOYSA-N 1 2 344.415 2.969 20 70 EFIDLO CCC[C@H]1CN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CCO1 ZINC000160174275 473093794 /nfs/dbraw/zinc/09/37/94/473093794.db2.gz ODJIKHORYQCESQ-SFHVURJKSA-N 1 2 342.443 2.642 20 70 EFIDLO C[C@@H]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)[C@H](C)C1 ZINC000160190726 473095037 /nfs/dbraw/zinc/09/50/37/473095037.db2.gz RTGLZTKUZGNCQH-NUJGCVRESA-N 1 2 330.476 2.734 20 70 EFIDLO CC[N@H+](Cc1cnc2ccccn12)[C@H]1CCN(c2ccccc2)C1=O ZINC000160338847 473110525 /nfs/dbraw/zinc/11/05/25/473110525.db2.gz SVYHEFKJNKAFRS-SFHVURJKSA-N 1 2 334.423 2.962 20 70 EFIDLO CC[N@@H+](Cc1cnc2ccccn12)[C@H]1CCN(c2ccccc2)C1=O ZINC000160338847 473110530 /nfs/dbraw/zinc/11/05/30/473110530.db2.gz SVYHEFKJNKAFRS-SFHVURJKSA-N 1 2 334.423 2.962 20 70 EFIDLO O=C(N[C@@H]1C[C@@H]1C1CCCCC1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160383199 473113720 /nfs/dbraw/zinc/11/37/20/473113720.db2.gz NCJACRRBGCFBKV-RTBURBONSA-N 1 2 342.487 2.878 20 70 EFIDLO O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)N1CCC2(CCC2)C1 ZINC000160417308 473121686 /nfs/dbraw/zinc/12/16/86/473121686.db2.gz OVXKRMZMAAHOCD-SFHVURJKSA-N 1 2 343.471 2.646 20 70 EFIDLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000160456476 473127667 /nfs/dbraw/zinc/12/76/67/473127667.db2.gz AJSLIGBZLDZYNM-MRXNPFEDSA-N 1 2 327.432 2.516 20 70 EFIDLO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000160456476 473127672 /nfs/dbraw/zinc/12/76/72/473127672.db2.gz AJSLIGBZLDZYNM-MRXNPFEDSA-N 1 2 327.432 2.516 20 70 EFIDLO CS[C@@H](C)CC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000160520637 473136235 /nfs/dbraw/zinc/13/62/35/473136235.db2.gz ODSQJDOXGRRAQO-DOTOQJQBSA-N 1 2 336.501 2.626 20 70 EFIDLO CS[C@H](C)CC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000160520528 473136721 /nfs/dbraw/zinc/13/67/21/473136721.db2.gz ODSQJDOXGRRAQO-WBVHZDCISA-N 1 2 336.501 2.626 20 70 EFIDLO CS[C@@H](C)CC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000160520764 473137112 /nfs/dbraw/zinc/13/71/12/473137112.db2.gz ODSQJDOXGRRAQO-RDJZCZTQSA-N 1 2 336.501 2.626 20 70 EFIDLO CC[N@H+](Cc1cnc(C2CCCC2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000160544984 473141216 /nfs/dbraw/zinc/14/12/16/473141216.db2.gz LZWUOXAABIBJHW-CYBMUJFWSA-N 1 2 328.503 2.810 20 70 EFIDLO CC[N@@H+](Cc1cnc(C2CCCC2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000160544984 473141221 /nfs/dbraw/zinc/14/12/21/473141221.db2.gz LZWUOXAABIBJHW-CYBMUJFWSA-N 1 2 328.503 2.810 20 70 EFIDLO CC[N@H+](Cc1cccc(OC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000160578119 473144737 /nfs/dbraw/zinc/14/47/37/473144737.db2.gz BMACFBKYKSUYJM-GFCCVEGCSA-N 1 2 337.363 2.594 20 70 EFIDLO CC[N@@H+](Cc1cccc(OC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000160578119 473144743 /nfs/dbraw/zinc/14/47/43/473144743.db2.gz BMACFBKYKSUYJM-GFCCVEGCSA-N 1 2 337.363 2.594 20 70 EFIDLO CC[N@H+](Cc1cccc(OC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000160578253 473145226 /nfs/dbraw/zinc/14/52/26/473145226.db2.gz BMACFBKYKSUYJM-LBPRGKRZSA-N 1 2 337.363 2.594 20 70 EFIDLO CC[N@@H+](Cc1cccc(OC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000160578253 473145233 /nfs/dbraw/zinc/14/52/33/473145233.db2.gz BMACFBKYKSUYJM-LBPRGKRZSA-N 1 2 337.363 2.594 20 70 EFIDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@H]1CCO[C@H](C3CC3)C1)C2 ZINC000160604863 473151053 /nfs/dbraw/zinc/15/10/53/473151053.db2.gz HKTIQWGTIVUMSQ-YOEHRIQHSA-N 1 2 346.475 2.569 20 70 EFIDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H]1CCO[C@H](C3CC3)C1)C2 ZINC000160604716 473151109 /nfs/dbraw/zinc/15/11/09/473151109.db2.gz HKTIQWGTIVUMSQ-PBHICJAKSA-N 1 2 346.475 2.569 20 70 EFIDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H]1CCO[C@@H](C3CC3)C1)C2 ZINC000160605005 473151300 /nfs/dbraw/zinc/15/13/00/473151300.db2.gz HKTIQWGTIVUMSQ-RHSMWYFYSA-N 1 2 346.475 2.569 20 70 EFIDLO CCc1cc(=O)[nH]c(C[NH+]2CCC(C(=O)c3ccccc3)CC2)n1 ZINC000160628583 473153358 /nfs/dbraw/zinc/15/33/58/473153358.db2.gz CDVVCMARMPZTHU-UHFFFAOYSA-N 1 2 325.412 2.840 20 70 EFIDLO COCc1cccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000160645732 473156219 /nfs/dbraw/zinc/15/62/19/473156219.db2.gz JCRIHYKXVPVGRJ-INIZCTEOSA-N 1 2 326.400 2.628 20 70 EFIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](C)C[C@@H]3CCCCO3)c2c1 ZINC000160667503 473158726 /nfs/dbraw/zinc/15/87/26/473158726.db2.gz ILLUYMWGPGTFTE-AWEZNQCLSA-N 1 2 344.411 2.638 20 70 EFIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+](C)C[C@@H]3CCCCO3)c2c1 ZINC000160667503 473158734 /nfs/dbraw/zinc/15/87/34/473158734.db2.gz ILLUYMWGPGTFTE-AWEZNQCLSA-N 1 2 344.411 2.638 20 70 EFIDLO CC(C)(C)c1nc(CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)cs1 ZINC000160697976 473163352 /nfs/dbraw/zinc/16/33/52/473163352.db2.gz ATPHPFIFFAJOMM-LBPRGKRZSA-N 1 2 332.473 2.558 20 70 EFIDLO COc1cccc(Cl)c1CC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000160700784 473163829 /nfs/dbraw/zinc/16/38/29/473163829.db2.gz BEGRTPPMRMBTCC-AWEZNQCLSA-N 1 2 346.814 2.966 20 70 EFIDLO CC[C@@H](Nc1ccc(N2CCNC(=O)C2)[nH+]c1)c1ccc(F)cc1 ZINC000160741636 473169746 /nfs/dbraw/zinc/16/97/46/473169746.db2.gz ICWILAKXMCYPIS-MRXNPFEDSA-N 1 2 328.391 2.720 20 70 EFIDLO O=C(c1cc(F)c(Cl)cc1F)N1CCN(c2cccc[nH+]2)CC1 ZINC000160942350 473193387 /nfs/dbraw/zinc/19/33/87/473193387.db2.gz QKHKZJGYVWWPKH-UHFFFAOYSA-N 1 2 337.757 2.976 20 70 EFIDLO Cc1nc2ccccn2c1C[NH2+][C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000160977300 473196126 /nfs/dbraw/zinc/19/61/26/473196126.db2.gz DEOBQUXZUUUPLM-GOSISDBHSA-N 1 2 342.830 2.786 20 70 EFIDLO CCc1cc(=O)[nH]c(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)n1 ZINC000160981460 473196355 /nfs/dbraw/zinc/19/63/55/473196355.db2.gz LIACOVWULZQANJ-KRWDZBQOSA-N 1 2 327.428 2.926 20 70 EFIDLO CCc1cc(=O)[nH]c(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)n1 ZINC000160981460 473196360 /nfs/dbraw/zinc/19/63/60/473196360.db2.gz LIACOVWULZQANJ-KRWDZBQOSA-N 1 2 327.428 2.926 20 70 EFIDLO CCCCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000161009952 473199298 /nfs/dbraw/zinc/19/92/98/473199298.db2.gz KWIICOFAXDSLBR-IBGZPJMESA-N 1 2 346.471 2.689 20 70 EFIDLO CCC[N@H+](Cc1cn(-c2ccccc2)nc1C)[C@H]1CCS(=O)(=O)C1 ZINC000161079507 473204234 /nfs/dbraw/zinc/20/42/34/473204234.db2.gz MJYSHDNBNJDRTG-SFHVURJKSA-N 1 2 347.484 2.580 20 70 EFIDLO CCC[N@@H+](Cc1cn(-c2ccccc2)nc1C)[C@H]1CCS(=O)(=O)C1 ZINC000161079507 473204236 /nfs/dbraw/zinc/20/42/36/473204236.db2.gz MJYSHDNBNJDRTG-SFHVURJKSA-N 1 2 347.484 2.580 20 70 EFIDLO CS[C@@H](C)CNC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000159521632 533914208 /nfs/dbraw/zinc/91/42/08/533914208.db2.gz HVBWULDATFLRDN-AWEZNQCLSA-N 1 2 332.473 2.677 20 70 EFIDLO CS[C@H](C)CNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000159913815 534052556 /nfs/dbraw/zinc/05/25/56/534052556.db2.gz QBHLTCRVHHQYGO-MFKMUULPSA-N 1 2 331.432 2.618 20 70 EFIDLO Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160126665 534482867 /nfs/dbraw/zinc/48/28/67/534482867.db2.gz XGVKRYCIGSZFFS-IAGOWNOFSA-N 1 2 341.480 2.899 20 70 EFIDLO O=C1[C@H](SCC[NH+]2CCOCC2)CCN1c1ccccc1Cl ZINC000159807536 534846212 /nfs/dbraw/zinc/84/62/12/534846212.db2.gz QNAOMOVMMZBGTP-OAHLLOKOSA-N 1 2 340.876 2.511 20 70 EFIDLO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000159779932 527792275 /nfs/dbraw/zinc/79/22/75/527792275.db2.gz WLAUMNMQKOFNIZ-UHFFFAOYSA-N 1 2 332.473 2.988 20 70 EFIDLO CCCN(C(=O)c1cccs1)C1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000159779932 527792282 /nfs/dbraw/zinc/79/22/82/527792282.db2.gz WLAUMNMQKOFNIZ-UHFFFAOYSA-N 1 2 332.473 2.988 20 70 EFIDLO CCOc1ccc([C@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000159740039 528605866 /nfs/dbraw/zinc/60/58/66/528605866.db2.gz XVVMLSWZZVMXKZ-ZFWWWQNUSA-N 1 2 343.427 2.730 20 70 EFIDLO CCCOc1ccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000159728242 528683249 /nfs/dbraw/zinc/68/32/49/528683249.db2.gz VVQZQHHOAQJSKM-HNNXBMFYSA-N 1 2 343.427 2.559 20 70 EFIDLO CN(C)c1cccc(C[N@H+](C)CCS(=O)(=O)c2ccccc2)c1 ZINC000159828567 529789099 /nfs/dbraw/zinc/78/90/99/529789099.db2.gz ICWZXEADJAAYJX-UHFFFAOYSA-N 1 2 332.469 2.658 20 70 EFIDLO CN(C)c1cccc(C[N@@H+](C)CCS(=O)(=O)c2ccccc2)c1 ZINC000159828567 529789101 /nfs/dbraw/zinc/78/91/01/529789101.db2.gz ICWZXEADJAAYJX-UHFFFAOYSA-N 1 2 332.469 2.658 20 70 EFIDLO CN(CCCOc1ccc(F)cc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159861848 529894964 /nfs/dbraw/zinc/89/49/64/529894964.db2.gz CUESYICWWQFUPP-CQSZACIVSA-N 1 2 331.391 2.512 20 70 EFIDLO CN(c1ccccc1)C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000160107928 530035624 /nfs/dbraw/zinc/03/56/24/530035624.db2.gz WHXUCXNFLWYTRY-MRXNPFEDSA-N 1 2 338.455 2.573 20 70 EFIDLO COc1cc2nc(N[C@@H]3CCO[C@H](C4CC4)C3)[nH+]c(N)c2cc1OC ZINC000160276907 533177338 /nfs/dbraw/zinc/17/73/38/533177338.db2.gz SFYAYDKDIPSBDP-RISCZKNCSA-N 1 2 344.415 2.599 20 70 EFIDLO COc1cc2nc(N[C@H]3CCO[C@@H](C4CC4)C3)[nH+]c(N)c2cc1OC ZINC000160277279 533178185 /nfs/dbraw/zinc/17/81/85/533178185.db2.gz SFYAYDKDIPSBDP-SMDDNHRTSA-N 1 2 344.415 2.599 20 70 EFIDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CCOC2(CCCC2)C1 ZINC000159542055 225236934 /nfs/dbraw/zinc/23/69/34/225236934.db2.gz OEYYQUHKTHNXCB-UHFFFAOYSA-N 1 2 344.459 2.536 20 70 EFIDLO O=C(Nc1ccc(F)c(F)c1F)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159880722 225295289 /nfs/dbraw/zinc/29/52/89/225295289.db2.gz SSVDZVXJRYWJDS-SNVBAGLBSA-N 1 2 336.317 2.899 20 70 EFIDLO C[C@]1(CNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)CCCS1 ZINC000160064147 225330285 /nfs/dbraw/zinc/33/02/85/225330285.db2.gz KHYTXGUGXCOVPT-QGZVFWFLSA-N 1 2 334.489 2.767 20 70 EFIDLO C[C@@]1(O)CCCN(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000160224610 225366164 /nfs/dbraw/zinc/36/61/64/225366164.db2.gz LQAJHORYLUQDDM-LJQANCHMSA-N 1 2 346.475 2.518 20 70 EFIDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1ccc(N(C)C)nc1 ZINC000160934040 544808492 /nfs/dbraw/zinc/80/84/92/544808492.db2.gz SELJJLGMCMASNT-UHFFFAOYSA-N 1 2 326.444 2.835 20 70 EFIDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1ccc(N(C)C)nc1 ZINC000160934040 544808496 /nfs/dbraw/zinc/80/84/96/544808496.db2.gz SELJJLGMCMASNT-UHFFFAOYSA-N 1 2 326.444 2.835 20 70 EFIDLO CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(N(C)C)nc1 ZINC000160889036 544808999 /nfs/dbraw/zinc/80/89/99/544808999.db2.gz BZMDZQAGVKMDCB-UHFFFAOYSA-N 1 2 344.484 2.940 20 70 EFIDLO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(N(C)C)nc1 ZINC000160889036 544809005 /nfs/dbraw/zinc/80/90/05/544809005.db2.gz BZMDZQAGVKMDCB-UHFFFAOYSA-N 1 2 344.484 2.940 20 70 EFIDLO CC[C@@H](NC(=O)Nc1ccccc1C[NH+]1CCOCC1)[C@@H]1CCCO1 ZINC000161434429 544814907 /nfs/dbraw/zinc/81/49/07/544814907.db2.gz WVPFWSLAQQRJKR-AEFFLSMTSA-N 1 2 347.459 2.598 20 70 EFIDLO CC(C)[C@@H](SCC[NH+]1CCOCC1)C(=O)N(C)C1CCCCC1 ZINC000159867758 310692193 /nfs/dbraw/zinc/69/21/93/310692193.db2.gz MFVRGRXHPSVCFE-QGZVFWFLSA-N 1 2 342.549 2.868 20 70 EFIDLO CCCC[C@@H](SCC[NH+]1CCOCC1)C(=O)Nc1cc(C)on1 ZINC000159868892 310692246 /nfs/dbraw/zinc/69/22/46/310692246.db2.gz KIAXVTULRVATQU-CQSZACIVSA-N 1 2 341.477 2.546 20 70 EFIDLO CC1CCC(N(C(=O)CSCC[NH+]2CCOCC2)C2CC2)CC1 ZINC000159911053 310692776 /nfs/dbraw/zinc/69/27/76/310692776.db2.gz JUPKENFTGJAOGF-UHFFFAOYSA-N 1 2 340.533 2.622 20 70 EFIDLO CCCCn1ncc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)c1C ZINC000159910184 310692842 /nfs/dbraw/zinc/69/28/42/310692842.db2.gz DMMDJMMFXJJUMQ-UHFFFAOYSA-N 1 2 342.447 2.741 20 70 EFIDLO COc1cc(OC)cc([C@H](NC(=O)C2=CCCC2)c2[nH+]ccn2C)c1 ZINC000160248225 310696694 /nfs/dbraw/zinc/69/66/94/310696694.db2.gz ZDSRXMIGLHXUPR-KRWDZBQOSA-N 1 2 341.411 2.753 20 70 EFIDLO CC[C@]1(C)C[C@@H]1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000160835291 310703251 /nfs/dbraw/zinc/70/32/51/310703251.db2.gz HOEDOKDEKKMTDF-YLJYHZDGSA-N 1 2 343.471 2.642 20 70 EFIDLO CCc1ccccc1NC(=O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161310378 310708045 /nfs/dbraw/zinc/70/80/45/310708045.db2.gz PYPJAMBYMDVTCK-INIZCTEOSA-N 1 2 344.377 2.823 20 70 EFIDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000161104377 473207019 /nfs/dbraw/zinc/20/70/19/473207019.db2.gz VOLXFBZLEPIIPE-CYBMUJFWSA-N 1 2 334.851 2.600 20 70 EFIDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000161104377 473207022 /nfs/dbraw/zinc/20/70/22/473207022.db2.gz VOLXFBZLEPIIPE-CYBMUJFWSA-N 1 2 334.851 2.600 20 70 EFIDLO CC(C)COC[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccco1 ZINC000161107302 473207647 /nfs/dbraw/zinc/20/76/47/473207647.db2.gz DGPYIGZSALPSNI-CABCVRRESA-N 1 2 331.416 2.569 20 70 EFIDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000161118696 473208888 /nfs/dbraw/zinc/20/88/88/473208888.db2.gz ABBRRXRLVAJKFB-CQSZACIVSA-N 1 2 337.427 2.817 20 70 EFIDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000161118696 473208893 /nfs/dbraw/zinc/20/88/93/473208893.db2.gz ABBRRXRLVAJKFB-CQSZACIVSA-N 1 2 337.427 2.817 20 70 EFIDLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161120949 473209095 /nfs/dbraw/zinc/20/90/95/473209095.db2.gz SJQDMSOZLXIGRU-LSDHHAIUSA-N 1 2 344.377 2.680 20 70 EFIDLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161120949 473209096 /nfs/dbraw/zinc/20/90/96/473209096.db2.gz SJQDMSOZLXIGRU-LSDHHAIUSA-N 1 2 344.377 2.680 20 70 EFIDLO Cc1ccc2c(CN3CC[NH+](Cc4ccncc4)CC3)cc(=O)oc2c1 ZINC000161171323 473214065 /nfs/dbraw/zinc/21/40/65/473214065.db2.gz XABHDDLVULDQIY-UHFFFAOYSA-N 1 2 349.434 2.814 20 70 EFIDLO Cc1ccc2c(C[NH+]3CCN(Cc4ccncc4)CC3)cc(=O)oc2c1 ZINC000161171323 473214068 /nfs/dbraw/zinc/21/40/68/473214068.db2.gz XABHDDLVULDQIY-UHFFFAOYSA-N 1 2 349.434 2.814 20 70 EFIDLO Cc1ccc(-c2noc(CN3CC[NH+](Cc4ccncc4)CC3)n2)cc1 ZINC000161201472 473217304 /nfs/dbraw/zinc/21/73/04/473217304.db2.gz BLXTUGITRBCNHM-UHFFFAOYSA-N 1 2 349.438 2.758 20 70 EFIDLO CC[N@H+](Cc1ccccn1)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000161214858 473217799 /nfs/dbraw/zinc/21/77/99/473217799.db2.gz JBXNHDVNYXGFFZ-HNNXBMFYSA-N 1 2 348.244 2.893 20 70 EFIDLO CC[N@@H+](Cc1ccccn1)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000161214858 473217801 /nfs/dbraw/zinc/21/78/01/473217801.db2.gz JBXNHDVNYXGFFZ-HNNXBMFYSA-N 1 2 348.244 2.893 20 70 EFIDLO O=C(CC[C@H]1CCOC1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161333058 473227694 /nfs/dbraw/zinc/22/76/94/473227694.db2.gz NUNYWQLVPZWTQJ-HNNXBMFYSA-N 1 2 336.863 2.801 20 70 EFIDLO O=C(N[C@H](c1nccs1)c1ccccc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161412972 473234055 /nfs/dbraw/zinc/23/40/55/473234055.db2.gz DIXZZPVLUJRDAP-ZBFHGGJFSA-N 1 2 338.436 2.808 20 70 EFIDLO COCCOc1cccc(C[NH2+]C2(c3noc(C)n3)CCCC2)c1 ZINC000161377851 473230816 /nfs/dbraw/zinc/23/08/16/473230816.db2.gz OYNKKCDHNRBBBR-UHFFFAOYSA-N 1 2 331.416 2.962 20 70 EFIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1nc(Cl)ccc1Cl ZINC000161372204 473231036 /nfs/dbraw/zinc/23/10/36/473231036.db2.gz OPJITWOWINRDEL-JTQLQIEISA-N 1 2 337.210 2.792 20 70 EFIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1nc(Cl)ccc1Cl ZINC000161372359 473231236 /nfs/dbraw/zinc/23/12/36/473231236.db2.gz OPJITWOWINRDEL-SNVBAGLBSA-N 1 2 337.210 2.792 20 70 EFIDLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000161396937 473232510 /nfs/dbraw/zinc/23/25/10/473232510.db2.gz FPBJSKZEHSGTNM-BBRMVZONSA-N 1 2 345.830 2.699 20 70 EFIDLO CCC(=O)N1CCC[N@@H+]([C@@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000159469439 473031312 /nfs/dbraw/zinc/03/13/12/473031312.db2.gz VAWBJOBIGSDPIR-HNNXBMFYSA-N 1 2 342.443 2.666 20 70 EFIDLO CCC(=O)N1CCC[N@H+]([C@@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000159469439 473031316 /nfs/dbraw/zinc/03/13/16/473031316.db2.gz VAWBJOBIGSDPIR-HNNXBMFYSA-N 1 2 342.443 2.666 20 70 EFIDLO CCOC(=O)CCc1ccc(NC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000159624349 473045923 /nfs/dbraw/zinc/04/59/23/473045923.db2.gz UZTGJQZGSDUCGO-UHFFFAOYSA-N 1 2 344.415 2.591 20 70 EFIDLO C[C@H](C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1CCOCC1 ZINC000159669647 473049377 /nfs/dbraw/zinc/04/93/77/473049377.db2.gz VAUBZLOHJXGRSY-HNNXBMFYSA-N 1 2 332.444 2.520 20 70 EFIDLO CS(=O)(=O)c1cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cs1 ZINC000159734045 473056908 /nfs/dbraw/zinc/05/69/08/473056908.db2.gz CCZJRDDGQLAERF-UHFFFAOYSA-N 1 2 347.421 2.590 20 70 EFIDLO CC(C)CCn1ccc(NC(=O)NCCCNc2cccc[nH+]2)n1 ZINC000159813936 473063128 /nfs/dbraw/zinc/06/31/28/473063128.db2.gz MESXYUBXVHJQGW-UHFFFAOYSA-N 1 2 330.436 2.948 20 70 EFIDLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2csc(CC(=O)N(C)C)n2)n1 ZINC000159844644 473066195 /nfs/dbraw/zinc/06/61/95/473066195.db2.gz KTONRXSQMVHCIG-INIZCTEOSA-N 1 2 344.484 2.814 20 70 EFIDLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2csc(CC(=O)N(C)C)n2)n1 ZINC000159844644 473066199 /nfs/dbraw/zinc/06/61/99/473066199.db2.gz KTONRXSQMVHCIG-INIZCTEOSA-N 1 2 344.484 2.814 20 70 EFIDLO CC(C)(C)CCC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000159850155 473066625 /nfs/dbraw/zinc/06/66/25/473066625.db2.gz IVWAVQSUCMQRQT-SFHVURJKSA-N 1 2 332.488 2.872 20 70 EFIDLO O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000160041586 473082971 /nfs/dbraw/zinc/08/29/71/473082971.db2.gz NSTCEBVUPVIRNE-HUUCEWRRSA-N 1 2 345.393 2.960 20 70 EFIDLO O=C(Nc1ccc(OC(F)F)c(F)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160120805 473090006 /nfs/dbraw/zinc/09/00/06/473090006.db2.gz PFSBWWCHXCLGRQ-VIFPVBQESA-N 1 2 325.290 2.825 20 70 EFIDLO Cc1noc(CNC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)n1 ZINC000160322154 473108006 /nfs/dbraw/zinc/10/80/06/473108006.db2.gz FXNWBIQTWKWMSA-UHFFFAOYSA-N 1 2 325.328 2.887 20 70 EFIDLO CC[N@H+](Cc1cc(C(F)(F)F)ccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000160571891 473145198 /nfs/dbraw/zinc/14/51/98/473145198.db2.gz FDWXMBGLRGUBDR-GFCCVEGCSA-N 1 2 339.354 2.854 20 70 EFIDLO CC[N@@H+](Cc1cc(C(F)(F)F)ccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000160571891 473145205 /nfs/dbraw/zinc/14/52/05/473145205.db2.gz FDWXMBGLRGUBDR-GFCCVEGCSA-N 1 2 339.354 2.854 20 70 EFIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cccn1C(C)C ZINC000160583960 473146074 /nfs/dbraw/zinc/14/60/74/473146074.db2.gz YLPPTEMTYQDLBE-UHFFFAOYSA-N 1 2 328.416 2.861 20 70 EFIDLO O=C(N[C@H]1CCOC2(CCCCC2)C1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000160602386 473148909 /nfs/dbraw/zinc/14/89/09/473148909.db2.gz SBCQTDQMQFHHPE-INIZCTEOSA-N 1 2 340.427 2.879 20 70 EFIDLO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccsc1 ZINC000160673734 473159491 /nfs/dbraw/zinc/15/94/91/473159491.db2.gz NFIFFIHAUPRJQN-UHFFFAOYSA-N 1 2 332.425 2.980 20 70 EFIDLO CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccsc1 ZINC000160673734 473159499 /nfs/dbraw/zinc/15/94/99/473159499.db2.gz NFIFFIHAUPRJQN-UHFFFAOYSA-N 1 2 332.425 2.980 20 70 EFIDLO COCc1ccccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160717614 473165250 /nfs/dbraw/zinc/16/52/50/473165250.db2.gz KDKZIIWERSPFLT-HNNXBMFYSA-N 1 2 326.400 2.628 20 70 EFIDLO CCO[C@H]1C[C@H](N(C)C(=O)NCc2cn3ccccc3[nH+]2)C12CCC2 ZINC000160761566 473172180 /nfs/dbraw/zinc/17/21/80/473172180.db2.gz WQZZKHZUMXBZMB-HOTGVXAUSA-N 1 2 342.443 2.823 20 70 EFIDLO CCc1ccc([C@H]2CCCCCN2C(=O)NCC[NH+]2CCOCC2)o1 ZINC000160807696 473177409 /nfs/dbraw/zinc/17/74/09/473177409.db2.gz BIJBZHOOTBNXQN-QGZVFWFLSA-N 1 2 349.475 2.801 20 70 EFIDLO CCc1ccc([C@@H]2CCCCCN2C(=O)NCC[NH+]2CCOCC2)o1 ZINC000160807566 473177862 /nfs/dbraw/zinc/17/78/62/473177862.db2.gz BIJBZHOOTBNXQN-KRWDZBQOSA-N 1 2 349.475 2.801 20 70 EFIDLO O=C(NCCCn1cc[nH+]c1)NCc1ccccc1OCC1CC1 ZINC000160817083 473178786 /nfs/dbraw/zinc/17/87/86/473178786.db2.gz OGBUMIRUWVNHFV-UHFFFAOYSA-N 1 2 328.416 2.561 20 70 EFIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+]3CCS[C@H](C)C3)c2c1 ZINC000160913530 473190336 /nfs/dbraw/zinc/19/03/36/473190336.db2.gz HQNVOGWRWAZISM-LLVKDONJSA-N 1 2 332.425 2.575 20 70 EFIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+]3CCS[C@H](C)C3)c2c1 ZINC000160913530 473190341 /nfs/dbraw/zinc/19/03/41/473190341.db2.gz HQNVOGWRWAZISM-LLVKDONJSA-N 1 2 332.425 2.575 20 70 EFIDLO COCCC1(CNC(=O)NCCNc2ccc3ccccc3[nH+]2)CC1 ZINC000161059230 473203046 /nfs/dbraw/zinc/20/30/46/473203046.db2.gz BUJCPXLGWOVWQZ-UHFFFAOYSA-N 1 2 342.443 2.763 20 70 EFIDLO CS[C@H](C)CNC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000159521775 534053920 /nfs/dbraw/zinc/05/39/20/534053920.db2.gz HVBWULDATFLRDN-CQSZACIVSA-N 1 2 332.473 2.677 20 70 EFIDLO Cc1ccsc1[C@H]1C[C@H]1C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160126754 534487128 /nfs/dbraw/zinc/48/71/28/534487128.db2.gz XGVKRYCIGSZFFS-DLBZAZTESA-N 1 2 341.480 2.899 20 70 EFIDLO O=C(c1ccc(F)cc1Cl)N1CC[NH+](CCOCC2CC2)CC1 ZINC000159903763 526691824 /nfs/dbraw/zinc/69/18/24/526691824.db2.gz VCWZZSUPEUKLNJ-UHFFFAOYSA-N 1 2 340.826 2.664 20 70 EFIDLO CCC[C@@H]1CN(C(=O)NCc2ccc(N(CC)CC)[nH+]c2)CCO1 ZINC000160163329 527778661 /nfs/dbraw/zinc/77/86/61/527778661.db2.gz OZHHCWAOXFRSSP-MRXNPFEDSA-N 1 2 334.464 2.638 20 70 EFIDLO CCCC1(CNC(=O)NCc2ccc[nH+]c2N2CCOCC2)CCC1 ZINC000160129064 528052488 /nfs/dbraw/zinc/05/24/88/528052488.db2.gz PCKCFNSGHMSLHJ-UHFFFAOYSA-N 1 2 346.475 2.688 20 70 EFIDLO CCOc1ccc([C@@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000159739903 528593374 /nfs/dbraw/zinc/59/33/74/528593374.db2.gz XVVMLSWZZVMXKZ-HIFRSBDPSA-N 1 2 343.427 2.730 20 70 EFIDLO CC(C)[C@@H](SCC[NH+]1CCOCC1)C(=O)N1CCc2ccccc21 ZINC000159822470 528639326 /nfs/dbraw/zinc/63/93/26/528639326.db2.gz FWSMDTJPZHFKPE-GOSISDBHSA-N 1 2 348.512 2.666 20 70 EFIDLO CCn1cc[nH+]c1CN1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000160807818 529569920 /nfs/dbraw/zinc/56/99/20/529569920.db2.gz VOPVAPAOQBVFMM-UHFFFAOYSA-N 1 2 340.258 2.927 20 70 EFIDLO CN(C)c1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c(F)c1 ZINC000160002584 529778574 /nfs/dbraw/zinc/77/85/74/529778574.db2.gz DLIHXJVDWUUVFF-UHFFFAOYSA-N 1 2 334.420 2.588 20 70 EFIDLO CN(C)c1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c(F)c1 ZINC000160002584 529778576 /nfs/dbraw/zinc/77/85/76/529778576.db2.gz DLIHXJVDWUUVFF-UHFFFAOYSA-N 1 2 334.420 2.588 20 70 EFIDLO COc1cc[nH+]cc1NC(=O)C(=O)NCC(C)(C)C1CCCCC1 ZINC000160232738 533086828 /nfs/dbraw/zinc/08/68/28/533086828.db2.gz YJEXVUOUSSLHDB-UHFFFAOYSA-N 1 2 333.432 2.751 20 70 EFIDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc(N(C)C)ccn2)CC1 ZINC000159414302 225213474 /nfs/dbraw/zinc/21/34/74/225213474.db2.gz SOESIIJQRISORI-CQSZACIVSA-N 1 2 344.484 2.728 20 70 EFIDLO O=C(NCc1cc2ccccc2[nH]1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159816557 225283489 /nfs/dbraw/zinc/28/34/89/225283489.db2.gz TXUVTTBIGPBYCN-UHFFFAOYSA-N 1 2 349.438 2.590 20 70 EFIDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)Nc1cccc2ncccc21 ZINC000159827537 225284209 /nfs/dbraw/zinc/28/42/09/225284209.db2.gz BCPPKGJRBWTGTQ-AWEZNQCLSA-N 1 2 345.468 2.627 20 70 EFIDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)Nc1cc(Cl)ccc1F ZINC000159979682 225313895 /nfs/dbraw/zinc/31/38/95/225313895.db2.gz JFOLKWFSDMKDRA-NSHDSACASA-N 1 2 346.855 2.872 20 70 EFIDLO C[C@@]1(CNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)CCCS1 ZINC000160064280 225330652 /nfs/dbraw/zinc/33/06/52/225330652.db2.gz KHYTXGUGXCOVPT-KRWDZBQOSA-N 1 2 334.489 2.767 20 70 EFIDLO Cc1ccsc1[C@H]1C[C@@H]1C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160126570 225343812 /nfs/dbraw/zinc/34/38/12/225343812.db2.gz XGVKRYCIGSZFFS-IRXDYDNUSA-N 1 2 341.480 2.899 20 70 EFIDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000160186925 225356377 /nfs/dbraw/zinc/35/63/77/225356377.db2.gz CWYUAYJFSOVDDR-KCQAQPDRSA-N 1 2 334.445 2.505 20 70 EFIDLO Cc1ccc(NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)cn1 ZINC000161453959 544814713 /nfs/dbraw/zinc/81/47/13/544814713.db2.gz QQLVPCSUWHEMPY-OAHLLOKOSA-N 1 2 325.416 2.696 20 70 EFIDLO Cc1ccccc1Cc1nnc(CSCC[NH+]2CCOCC2)o1 ZINC000159771889 310691479 /nfs/dbraw/zinc/69/14/79/310691479.db2.gz AOPZEZGFJWRIIL-UHFFFAOYSA-N 1 2 333.457 2.534 20 70 EFIDLO Cc1ccc([C@H](NC(=O)CSCC[NH+]2CCOCC2)C2CC2)cc1 ZINC000159977223 310693615 /nfs/dbraw/zinc/69/36/15/310693615.db2.gz ICHDVRPCNLFLNI-IBGZPJMESA-N 1 2 348.512 2.628 20 70 EFIDLO CC1(C)CCCC[C@H]1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160702636 310701862 /nfs/dbraw/zinc/70/18/62/310701862.db2.gz DRULWRDYDIFUIY-QGZVFWFLSA-N 1 2 330.476 2.878 20 70 EFIDLO O=C([C@@H]1CCCO1)N1CC[NH+](Cc2ccc(-c3ccccc3)o2)CC1 ZINC000160959978 310704549 /nfs/dbraw/zinc/70/45/49/310704549.db2.gz VYDZFPFVLSITFV-IBGZPJMESA-N 1 2 340.423 2.770 20 70 EFIDLO CCCCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000161010059 310704981 /nfs/dbraw/zinc/70/49/81/310704981.db2.gz KWIICOFAXDSLBR-LJQANCHMSA-N 1 2 346.471 2.689 20 70 EFIDLO CC[N@H+](CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)Cc1cnn(C)c1 ZINC000161089198 473205795 /nfs/dbraw/zinc/20/57/95/473205795.db2.gz COOSTEYEJWXUCK-INIZCTEOSA-N 1 2 328.460 2.736 20 70 EFIDLO CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)Cc1cnn(C)c1 ZINC000161089198 473205797 /nfs/dbraw/zinc/20/57/97/473205797.db2.gz COOSTEYEJWXUCK-INIZCTEOSA-N 1 2 328.460 2.736 20 70 EFIDLO CC(C)COC[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccco1 ZINC000161107503 473207679 /nfs/dbraw/zinc/20/76/79/473207679.db2.gz DGPYIGZSALPSNI-GJZGRUSLSA-N 1 2 331.416 2.569 20 70 EFIDLO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+](CC)Cc1cnn(C)c1 ZINC000161112206 473208484 /nfs/dbraw/zinc/20/84/84/473208484.db2.gz YFYIJNXWXATBSJ-OAHLLOKOSA-N 1 2 333.436 2.736 20 70 EFIDLO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+](CC)Cc1cnn(C)c1 ZINC000161112206 473208487 /nfs/dbraw/zinc/20/84/87/473208487.db2.gz YFYIJNXWXATBSJ-OAHLLOKOSA-N 1 2 333.436 2.736 20 70 EFIDLO Cn1cc[nH+]c1-c1cccc(NC(=O)N2CCOC3(CCC3)C2)c1 ZINC000161217551 473218349 /nfs/dbraw/zinc/21/83/49/473218349.db2.gz TZGJKFLHDVJYLI-UHFFFAOYSA-N 1 2 326.400 2.874 20 70 EFIDLO Cc1nc(C[N@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)no1 ZINC000161228687 473218536 /nfs/dbraw/zinc/21/85/36/473218536.db2.gz XVEGZIKTNFHGQU-UHFFFAOYSA-N 1 2 329.379 2.972 20 70 EFIDLO Cc1nc(C[N@@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)no1 ZINC000161228687 473218540 /nfs/dbraw/zinc/21/85/40/473218540.db2.gz XVEGZIKTNFHGQU-UHFFFAOYSA-N 1 2 329.379 2.972 20 70 EFIDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cnc(N(CC)CC)s1 ZINC000161246241 473219730 /nfs/dbraw/zinc/21/97/30/473219730.db2.gz AVBPUCPWYDZHBL-AWEZNQCLSA-N 1 2 325.478 2.907 20 70 EFIDLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cnc(N(CC)CC)s1 ZINC000161246241 473219734 /nfs/dbraw/zinc/21/97/34/473219734.db2.gz AVBPUCPWYDZHBL-AWEZNQCLSA-N 1 2 325.478 2.907 20 70 EFIDLO CN1CC[C@@H]([NH2+][C@@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)C1=O ZINC000161274271 473222885 /nfs/dbraw/zinc/22/28/85/473222885.db2.gz XWPDFTWXOJZGEA-RTBURBONSA-N 1 2 347.418 2.912 20 70 EFIDLO CCCN(C)c1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000161292670 473224885 /nfs/dbraw/zinc/22/48/85/473224885.db2.gz AQWVDCYUIKFQMA-QGZVFWFLSA-N 1 2 338.455 2.937 20 70 EFIDLO CCn1cc(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)cn1 ZINC000161312039 473225338 /nfs/dbraw/zinc/22/53/38/473225338.db2.gz OPPZTUROTNKJPL-UHFFFAOYSA-N 1 2 332.835 2.514 20 70 EFIDLO Cn1nccc1CSc1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000161321150 473226566 /nfs/dbraw/zinc/22/65/66/473226566.db2.gz CVZTXHBSJWPBLL-UHFFFAOYSA-N 1 2 340.387 2.980 20 70 EFIDLO CCNC(=O)C(C)(C)CNc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000161348906 473228629 /nfs/dbraw/zinc/22/86/29/473228629.db2.gz YMVWEPFDTHQFQX-UHFFFAOYSA-N 1 2 327.432 2.675 20 70 EFIDLO Cc1cc2[nH+]cn(C[C@H](O)Cn3ccc4occc4c3=O)c2cc1C ZINC000161391641 473232314 /nfs/dbraw/zinc/23/23/14/473232314.db2.gz XIPBMGGHNHUTAT-CQSZACIVSA-N 1 2 337.379 2.622 20 70 EFIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Cl)nc1Cl ZINC000161443685 473236031 /nfs/dbraw/zinc/23/60/31/473236031.db2.gz QLQMOLKZPSPULB-JTQLQIEISA-N 1 2 337.210 2.792 20 70 EFIDLO C[C@@H]1CC[C@@H](C)N1C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000161471824 473237659 /nfs/dbraw/zinc/23/76/59/473237659.db2.gz UTUWPJCXDCHWNF-HUUCEWRRSA-N 1 2 340.427 2.925 20 70 EFIDLO Cc1[nH]c(=O)ccc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000161484648 473239158 /nfs/dbraw/zinc/23/91/58/473239158.db2.gz SIGRUEMFOLPOPS-UHFFFAOYSA-N 1 2 340.427 2.801 20 70 EFIDLO CC(=O)N1CC[C@H](NC(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)C1 ZINC000159547519 473037096 /nfs/dbraw/zinc/03/70/96/473037096.db2.gz MYRBAHFTVGHRSC-INIZCTEOSA-N 1 2 339.395 2.533 20 70 EFIDLO CC(C)CCNC(=O)[C@H](C)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159585269 473040965 /nfs/dbraw/zinc/04/09/65/473040965.db2.gz AAHCZIHWOHXBKN-OXJNMPFZSA-N 1 2 330.472 2.711 20 70 EFIDLO CC(C)CCNC(=O)[C@H](C)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159585269 473040971 /nfs/dbraw/zinc/04/09/71/473040971.db2.gz AAHCZIHWOHXBKN-OXJNMPFZSA-N 1 2 330.472 2.711 20 70 EFIDLO CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159585162 473041254 /nfs/dbraw/zinc/04/12/54/473041254.db2.gz AAHCZIHWOHXBKN-OXQOHEQNSA-N 1 2 330.472 2.711 20 70 EFIDLO CC(C)CCNC(=O)[C@@H](C)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159585162 473041257 /nfs/dbraw/zinc/04/12/57/473041257.db2.gz AAHCZIHWOHXBKN-OXQOHEQNSA-N 1 2 330.472 2.711 20 70 EFIDLO O=C(C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1)N1CCCCCC1 ZINC000159616325 473044427 /nfs/dbraw/zinc/04/44/27/473044427.db2.gz GXVWUCGDOHGYLT-FQEVSTJZSA-N 1 2 328.456 2.563 20 70 EFIDLO O=C(C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1)N1CCCCCC1 ZINC000159616325 473044433 /nfs/dbraw/zinc/04/44/33/473044433.db2.gz GXVWUCGDOHGYLT-FQEVSTJZSA-N 1 2 328.456 2.563 20 70 EFIDLO O=C(C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1)N1CCCCCC1 ZINC000159616187 473044629 /nfs/dbraw/zinc/04/46/29/473044629.db2.gz GXVWUCGDOHGYLT-HXUWFJFHSA-N 1 2 328.456 2.563 20 70 EFIDLO O=C(C[N@H+]1CCO[C@]2(CCc3ccccc32)C1)N1CCCCCC1 ZINC000159616187 473044632 /nfs/dbraw/zinc/04/46/32/473044632.db2.gz GXVWUCGDOHGYLT-HXUWFJFHSA-N 1 2 328.456 2.563 20 70 EFIDLO COc1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)ccc1F ZINC000159658147 473048713 /nfs/dbraw/zinc/04/87/13/473048713.db2.gz AMXNAAFDNVNCGG-UHFFFAOYSA-N 1 2 325.343 2.950 20 70 EFIDLO CC[C@@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1cccc(C(N)=O)c1 ZINC000159650730 473049133 /nfs/dbraw/zinc/04/91/33/473049133.db2.gz AMYYUTKSMNEOLF-SFHVURJKSA-N 1 2 340.423 2.912 20 70 EFIDLO CC[C@@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1cccc(C(N)=O)c1 ZINC000159650730 473049138 /nfs/dbraw/zinc/04/91/38/473049138.db2.gz AMYYUTKSMNEOLF-SFHVURJKSA-N 1 2 340.423 2.912 20 70 EFIDLO COCCc1nsc(N(C)Cc2[nH+]ccn2Cc2ccccc2)n1 ZINC000159711327 473054318 /nfs/dbraw/zinc/05/43/18/473054318.db2.gz QRPJEAXTEAHVFY-UHFFFAOYSA-N 1 2 343.456 2.608 20 70 EFIDLO CC1CCN(c2nnc(SCCn3cc[nH+]c3)n2C2CC2)CC1 ZINC000159755305 473058006 /nfs/dbraw/zinc/05/80/06/473058006.db2.gz QEHATTMTYWIJPT-UHFFFAOYSA-N 1 2 332.477 2.838 20 70 EFIDLO CN(C)c1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000159768397 473058875 /nfs/dbraw/zinc/05/88/75/473058875.db2.gz CQPNBGTYURUIQD-OAHLLOKOSA-N 1 2 325.416 2.548 20 70 EFIDLO CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000159782839 473060448 /nfs/dbraw/zinc/06/04/48/473060448.db2.gz DWPXNWHIAIXTFU-JKSUJKDBSA-N 1 2 348.491 2.655 20 70 EFIDLO C[C@@H]1CC(=O)CC[C@H]1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000159825244 473065147 /nfs/dbraw/zinc/06/51/47/473065147.db2.gz HOOPMRKHAPSVJP-RDTXWAMCSA-N 1 2 325.412 2.553 20 70 EFIDLO Cc1n[nH]c(C)c1C[NH+]1CCN(C(=O)C(C)(C)c2ccccc2)CC1 ZINC000159966206 473077606 /nfs/dbraw/zinc/07/76/06/473077606.db2.gz DVXORHPAAXBPLX-UHFFFAOYSA-N 1 2 340.471 2.649 20 70 EFIDLO C[C@@H](SCC[NH+]1CCOCC1)c1nnc(-c2cccs2)o1 ZINC000160013058 473080609 /nfs/dbraw/zinc/08/06/09/473080609.db2.gz NGMYUVKKGVCMOX-LLVKDONJSA-N 1 2 325.459 2.925 20 70 EFIDLO COCC[N@H+](Cc1ccc(Oc2ccccc2)c(F)c1)[C@@H](C)C(N)=O ZINC000160030318 473081956 /nfs/dbraw/zinc/08/19/56/473081956.db2.gz ROZLDFYBDZADES-AWEZNQCLSA-N 1 2 346.402 2.940 20 70 EFIDLO COCC[N@@H+](Cc1ccc(Oc2ccccc2)c(F)c1)[C@@H](C)C(N)=O ZINC000160030318 473081962 /nfs/dbraw/zinc/08/19/62/473081962.db2.gz ROZLDFYBDZADES-AWEZNQCLSA-N 1 2 346.402 2.940 20 70 EFIDLO CCOCCOCc1cccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000160107364 473088705 /nfs/dbraw/zinc/08/87/05/473088705.db2.gz XCERLNZQOQTMTI-INIZCTEOSA-N 1 2 343.427 2.637 20 70 EFIDLO O=C(NCc1ccc(Br)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160226769 473098331 /nfs/dbraw/zinc/09/83/31/473098331.db2.gz VSTCJZQKZBQONT-GFCCVEGCSA-N 1 2 334.217 2.524 20 70 EFIDLO CC[N@H+](Cc1cnc2ccccn12)[C@@H]1CCN(c2ccccc2)C1=O ZINC000160338700 473109804 /nfs/dbraw/zinc/10/98/04/473109804.db2.gz SVYHEFKJNKAFRS-GOSISDBHSA-N 1 2 334.423 2.962 20 70 EFIDLO CC[N@@H+](Cc1cnc2ccccn12)[C@@H]1CCN(c2ccccc2)C1=O ZINC000160338700 473109811 /nfs/dbraw/zinc/10/98/11/473109811.db2.gz SVYHEFKJNKAFRS-GOSISDBHSA-N 1 2 334.423 2.962 20 70 EFIDLO CC[C@H]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000160347591 473111870 /nfs/dbraw/zinc/11/18/70/473111870.db2.gz WMTBBLDFRLYYPB-DLBZAZTESA-N 1 2 330.476 2.878 20 70 EFIDLO C[N@H+](Cc1cnc2ccccn12)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000160463107 473128924 /nfs/dbraw/zinc/12/89/24/473128924.db2.gz NUHDLEAAFOXXCF-GOSISDBHSA-N 1 2 334.423 2.962 20 70 EFIDLO C[N@@H+](Cc1cnc2ccccn12)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000160463107 473128927 /nfs/dbraw/zinc/12/89/27/473128927.db2.gz NUHDLEAAFOXXCF-GOSISDBHSA-N 1 2 334.423 2.962 20 70 EFIDLO C[N@H+](Cc1cnc2ccccn12)[C@H]1CCCN(c2ccccc2)C1=O ZINC000160463218 473129022 /nfs/dbraw/zinc/12/90/22/473129022.db2.gz NUHDLEAAFOXXCF-SFHVURJKSA-N 1 2 334.423 2.962 20 70 EFIDLO C[N@@H+](Cc1cnc2ccccn12)[C@H]1CCCN(c2ccccc2)C1=O ZINC000160463218 473129026 /nfs/dbraw/zinc/12/90/26/473129026.db2.gz NUHDLEAAFOXXCF-SFHVURJKSA-N 1 2 334.423 2.962 20 70 EFIDLO CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)n1 ZINC000160547107 473140679 /nfs/dbraw/zinc/14/06/79/473140679.db2.gz CQKXIEIQMQTEDE-HNNXBMFYSA-N 1 2 341.411 2.853 20 70 EFIDLO CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)n1 ZINC000160547107 473140684 /nfs/dbraw/zinc/14/06/84/473140684.db2.gz CQKXIEIQMQTEDE-HNNXBMFYSA-N 1 2 341.411 2.853 20 70 EFIDLO CN(CC1CCOCC1)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000160558665 473141941 /nfs/dbraw/zinc/14/19/41/473141941.db2.gz JDEUFWSBKNFNEI-UHFFFAOYSA-N 1 2 328.416 2.977 20 70 EFIDLO CC[N@H+](Cc1cc(C(F)(F)F)ccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000160572035 473144986 /nfs/dbraw/zinc/14/49/86/473144986.db2.gz FDWXMBGLRGUBDR-LBPRGKRZSA-N 1 2 339.354 2.854 20 70 EFIDLO CC[N@@H+](Cc1cc(C(F)(F)F)ccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000160572035 473144995 /nfs/dbraw/zinc/14/49/95/473144995.db2.gz FDWXMBGLRGUBDR-LBPRGKRZSA-N 1 2 339.354 2.854 20 70 EFIDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(OC)c(O)c1 ZINC000160646794 473156601 /nfs/dbraw/zinc/15/66/01/473156601.db2.gz OSBSKJHQWVIGOE-UHFFFAOYSA-N 1 2 344.411 2.870 20 70 EFIDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(OC)c(O)c1 ZINC000160646794 473156607 /nfs/dbraw/zinc/15/66/07/473156607.db2.gz OSBSKJHQWVIGOE-UHFFFAOYSA-N 1 2 344.411 2.870 20 70 EFIDLO C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)NCCCNc1cccc[nH+]1 ZINC000160681174 473160313 /nfs/dbraw/zinc/16/03/13/473160313.db2.gz BYJVODFBVCQFGA-DOTOQJQBSA-N 1 2 342.443 2.695 20 70 EFIDLO C[C@H](C[C@@H](O)c1ccccc1)NC(=O)NCCCNc1cccc[nH+]1 ZINC000160681290 473160397 /nfs/dbraw/zinc/16/03/97/473160397.db2.gz BYJVODFBVCQFGA-NVXWUHKLSA-N 1 2 342.443 2.695 20 70 EFIDLO COc1cccc(N2CC[NH+](Cc3ccc([S@](C)=O)cc3)CC2)c1 ZINC000160695841 473162951 /nfs/dbraw/zinc/16/29/51/473162951.db2.gz BGKBIQFPZWIDAC-XMMPIXPASA-N 1 2 344.480 2.755 20 70 EFIDLO CCCn1c(C)nnc1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000160708014 473164584 /nfs/dbraw/zinc/16/45/84/473164584.db2.gz BCCCFJDTMZAPCL-KRWDZBQOSA-N 1 2 336.480 2.547 20 70 EFIDLO C[C@H](NC(=O)NCCn1cc[nH+]c1)c1ncc(-c2ccccc2)o1 ZINC000160815820 473178942 /nfs/dbraw/zinc/17/89/42/473178942.db2.gz BKALGIMKPGAKFH-ZDUSSCGKSA-N 1 2 325.372 2.599 20 70 EFIDLO COc1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1F ZINC000160894914 473188293 /nfs/dbraw/zinc/18/82/93/473188293.db2.gz QTPBJXXFDGXPPV-CYBMUJFWSA-N 1 2 330.363 2.630 20 70 EFIDLO Cc1cc(N2CCN(C(=O)C3=C(C)OCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000160908343 473189594 /nfs/dbraw/zinc/18/95/94/473189594.db2.gz OASCGMZVPDQICP-UHFFFAOYSA-N 1 2 344.459 2.641 20 70 EFIDLO C[C@@H]1CC(=O)CC[C@H]1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000160937997 473192408 /nfs/dbraw/zinc/19/24/08/473192408.db2.gz SFAQFWOEYDEKOZ-KZJOSYIESA-N 1 2 340.467 2.849 20 70 EFIDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cc(C(N)=O)cs1 ZINC000160933187 473192714 /nfs/dbraw/zinc/19/27/14/473192714.db2.gz PBYPXIUJRCRFPU-UHFFFAOYSA-N 1 2 331.441 2.534 20 70 EFIDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cc(C(N)=O)cs1 ZINC000160933187 473192717 /nfs/dbraw/zinc/19/27/17/473192717.db2.gz PBYPXIUJRCRFPU-UHFFFAOYSA-N 1 2 331.441 2.534 20 70 EFIDLO CC(C)Oc1ncccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160966314 473195058 /nfs/dbraw/zinc/19/50/58/473195058.db2.gz VAOHLTMWLAZMFN-AWEZNQCLSA-N 1 2 341.415 2.664 20 70 EFIDLO C[C@H]1CCN(C(=O)Cc2ccc(O)cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000160962804 473195264 /nfs/dbraw/zinc/19/52/64/473195264.db2.gz WJPOVGGVOSKMOE-BLLLJJGKSA-N 1 2 333.819 2.894 20 70 EFIDLO O=C(NCCCn1cc[nH+]c1)NOCc1ccc(C(F)(F)F)cc1 ZINC000160980799 473196912 /nfs/dbraw/zinc/19/69/12/473196912.db2.gz KCFCNUVTXLSLHH-UHFFFAOYSA-N 1 2 342.321 2.723 20 70 EFIDLO C[C@@H](c1cccc(Cl)c1)[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000159434737 534085884 /nfs/dbraw/zinc/08/58/84/534085884.db2.gz ASJMNOVGZIKXLE-ZDUSSCGKSA-N 1 2 345.830 2.547 20 70 EFIDLO CCC[C@@H]1CN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CCO1 ZINC000160098236 527780668 /nfs/dbraw/zinc/78/06/68/527780668.db2.gz BQTCEDOSBVTCJM-CQSZACIVSA-N 1 2 336.823 2.698 20 70 EFIDLO CCCOC(=O)[C@@H](C)[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000159567790 528577952 /nfs/dbraw/zinc/57/79/52/528577952.db2.gz JYYXNFLXMWVGRP-CQSZACIVSA-N 1 2 333.432 2.614 20 70 EFIDLO CCC(CC)n1nccc1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000161484674 528914046 /nfs/dbraw/zinc/91/40/46/528914046.db2.gz OHMMNJUBARIAQV-UHFFFAOYSA-N 1 2 325.416 2.864 20 70 EFIDLO CCc1cc(=O)[nH]c(C[NH+]2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000160490713 529565614 /nfs/dbraw/zinc/56/56/14/529565614.db2.gz VTKSBKHOWMBFDS-UHFFFAOYSA-N 1 2 332.835 2.720 20 70 EFIDLO O=C(Nc1nc(-c2ccccc2)ns1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160128573 239044034 /nfs/dbraw/zinc/04/40/34/239044034.db2.gz VADBMWHEOJZCNY-GFCCVEGCSA-N 1 2 325.397 2.603 20 70 EFIDLO CC(C)c1[nH+]c2c(n1C)CCN(c1ccc(S(C)(=O)=O)cc1)C2 ZINC000159392029 206243318 /nfs/dbraw/zinc/24/33/18/206243318.db2.gz SPHBBTFNTBQPTL-UHFFFAOYSA-N 1 2 333.457 2.510 20 70 EFIDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCOC2(CCCC2)C1 ZINC000159369193 206241872 /nfs/dbraw/zinc/24/18/72/206241872.db2.gz GNXSRGBJOKCTJN-UHFFFAOYSA-N 1 2 344.459 2.536 20 70 EFIDLO Cc1ncc(C[NH+]2CCN(C(=O)[C@@H](C)c3cccs3)CC2)s1 ZINC000159743274 206260310 /nfs/dbraw/zinc/26/03/10/206260310.db2.gz JPFPUIWVMJYWLI-LBPRGKRZSA-N 1 2 335.498 2.961 20 70 EFIDLO COc1ccsc1S(=O)(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000159721864 206260870 /nfs/dbraw/zinc/26/08/70/206260870.db2.gz NZGXKFPBDBJQKS-UHFFFAOYSA-N 1 2 340.470 2.928 20 70 EFIDLO C[C@@H](NC(=O)CSCC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000159761819 206261894 /nfs/dbraw/zinc/26/18/94/206261894.db2.gz PJIABBVVYKSCCW-CYBMUJFWSA-N 1 2 342.892 2.583 20 70 EFIDLO Cc1ccccc1Cc1noc(CSCC[NH+]2CCOCC2)n1 ZINC000159810461 206265579 /nfs/dbraw/zinc/26/55/79/206265579.db2.gz OSRLMJNPUPRAIQ-UHFFFAOYSA-N 1 2 333.457 2.534 20 70 EFIDLO CSc1cccc(NC(=O)[C@@H](C)SCC[NH+]2CCOCC2)c1 ZINC000159870531 206267084 /nfs/dbraw/zinc/26/70/84/206267084.db2.gz VDPABIITUOGXRX-CYBMUJFWSA-N 1 2 340.514 2.801 20 70 EFIDLO O=C([C@@H](SCC[NH+]1CCOCC1)c1ccccc1)N1CCCCC1 ZINC000159922668 206269951 /nfs/dbraw/zinc/26/99/51/206269951.db2.gz JFKKLESKLWRMMY-SFHVURJKSA-N 1 2 348.512 2.806 20 70 EFIDLO COc1ccc(C)cc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159943490 206272206 /nfs/dbraw/zinc/27/22/06/206272206.db2.gz UNWUDXHWVZGEKX-AWEZNQCLSA-N 1 2 326.400 2.799 20 70 EFIDLO Cc1cccc(Cl)c1NC(=O)CSCC[NH+]1CCOCC1 ZINC000160040652 206276381 /nfs/dbraw/zinc/27/63/81/206276381.db2.gz SYDNOHNQEFICCD-UHFFFAOYSA-N 1 2 328.865 2.652 20 70 EFIDLO CCN(CC)C(=O)[C@H](SCC[NH+]1CCOCC1)c1ccccc1 ZINC000160013196 206275203 /nfs/dbraw/zinc/27/52/03/206275203.db2.gz QOBNHXWQKBDQRI-QGZVFWFLSA-N 1 2 336.501 2.662 20 70 EFIDLO CCCCc1nnc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000160077610 206277309 /nfs/dbraw/zinc/27/73/09/206277309.db2.gz MNQCDVXFHAOBJR-GFCCVEGCSA-N 1 2 346.460 2.676 20 70 EFIDLO CCC[C@H]1CN(C(=O)NCCCn2c(C)[nH+]c3ccccc32)CCO1 ZINC000160075468 206278356 /nfs/dbraw/zinc/27/83/56/206278356.db2.gz UEOHTCHEIAPQTC-INIZCTEOSA-N 1 2 344.459 2.945 20 70 EFIDLO C[N@H+](CCCc1nc(-c2ccccc2)no1)CC(=O)OC(C)(C)C ZINC000160123885 206280565 /nfs/dbraw/zinc/28/05/65/206280565.db2.gz OUKJTJYFPZXFSH-UHFFFAOYSA-N 1 2 331.416 2.943 20 70 EFIDLO C[N@@H+](CCCc1nc(-c2ccccc2)no1)CC(=O)OC(C)(C)C ZINC000160123885 206280568 /nfs/dbraw/zinc/28/05/68/206280568.db2.gz OUKJTJYFPZXFSH-UHFFFAOYSA-N 1 2 331.416 2.943 20 70 EFIDLO CC[C@@H](OC1CCCCC1)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160191239 206282910 /nfs/dbraw/zinc/28/29/10/206282910.db2.gz WFGNJILYGGVHKP-LJQANCHMSA-N 1 2 345.487 2.854 20 70 EFIDLO C[C@@H](OC1CCCCCC1)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160189464 206283420 /nfs/dbraw/zinc/28/34/20/206283420.db2.gz WUSKQASRBXFQOH-QGZVFWFLSA-N 1 2 345.487 2.854 20 70 EFIDLO Cc1ccc2[nH+]c(CSCC(=O)NCCCC(C)(C)CO)cn2c1 ZINC000160350367 206291045 /nfs/dbraw/zinc/29/10/45/206291045.db2.gz UIHSIDZNZFXNOO-UHFFFAOYSA-N 1 2 349.500 2.791 20 70 EFIDLO O=C(Cc1cn2ccccc2[nH+]1)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000160407138 206296651 /nfs/dbraw/zinc/29/66/51/206296651.db2.gz AYNMEYFXLOWPGP-OAHLLOKOSA-N 1 2 327.428 2.875 20 70 EFIDLO Cc1cc(N)nc(S[C@@H]2CCCN(c3ccccc3F)C2=O)[nH+]1 ZINC000160425604 206297766 /nfs/dbraw/zinc/29/77/66/206297766.db2.gz BSTIUJGJBRTZGV-CYBMUJFWSA-N 1 2 332.404 2.794 20 70 EFIDLO CC[N@H+](Cc1ccccn1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000161154702 206331304 /nfs/dbraw/zinc/33/13/04/206331304.db2.gz BRGGRZBVGXSEGK-OAHLLOKOSA-N 1 2 348.244 2.893 20 70 EFIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000161154702 206331308 /nfs/dbraw/zinc/33/13/08/206331308.db2.gz BRGGRZBVGXSEGK-OAHLLOKOSA-N 1 2 348.244 2.893 20 70 EFIDLO Cc1c(/C=C/C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cnn1C ZINC000160819434 206313515 /nfs/dbraw/zinc/31/35/15/206313515.db2.gz VXFANQARZYKTML-VOTSOKGWSA-N 1 2 345.472 2.823 20 70 EFIDLO C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)c1c(F)cccc1F ZINC000160942622 206319952 /nfs/dbraw/zinc/31/99/52/206319952.db2.gz WSXSWMHAYLXKNC-ZDUSSCGKSA-N 1 2 331.366 2.812 20 70 EFIDLO CC(C)(C)OC(=O)NCc1ccc(NC(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000160973464 206321361 /nfs/dbraw/zinc/32/13/61/206321361.db2.gz PAVZEZNLFPHKAM-UHFFFAOYSA-N 1 2 345.403 2.756 20 70 EFIDLO CC(C)Sc1ccccc1NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000161023636 206323883 /nfs/dbraw/zinc/32/38/83/206323883.db2.gz HTRDVZBUVCNSOV-UHFFFAOYSA-N 1 2 346.456 2.529 20 70 EFIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000161066077 206326881 /nfs/dbraw/zinc/32/68/81/206326881.db2.gz ZMYBEGUFYBZTEJ-CQSZACIVSA-N 1 2 340.427 2.889 20 70 EFIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000161066077 206326886 /nfs/dbraw/zinc/32/68/86/206326886.db2.gz ZMYBEGUFYBZTEJ-CQSZACIVSA-N 1 2 340.427 2.889 20 70 EFIDLO O=C(NCCc1c[nH]c2cc(Cl)ccc12)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160885935 544809130 /nfs/dbraw/zinc/80/91/30/544809130.db2.gz YURQPRJVBNPFJM-GFCCVEGCSA-N 1 2 342.830 2.939 20 70 EFIDLO Cc1ccccc1-c1noc(CN2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000161200697 544810731 /nfs/dbraw/zinc/81/07/31/544810731.db2.gz INGYCJMPZVVLKD-UHFFFAOYSA-N 1 2 349.438 2.758 20 70 EFIDLO Cc1ccc([C@H](CNC(=O)NC2(C)CCC2)[NH+]2CCOCC2)cc1 ZINC000159751172 301793923 /nfs/dbraw/zinc/79/39/23/301793923.db2.gz HENYUYWIWPXIEZ-KRWDZBQOSA-N 1 2 331.460 2.610 20 70 EFIDLO CC(C)Oc1ccc(CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000159742775 310690758 /nfs/dbraw/zinc/69/07/58/310690758.db2.gz BWFCBKTYORQJLK-INIZCTEOSA-N 1 2 327.428 2.592 20 70 EFIDLO CC(C)[C@H](SCC[NH+]1CCOCC1)C(=O)N(C)C1CCCCC1 ZINC000159867644 310692304 /nfs/dbraw/zinc/69/23/04/310692304.db2.gz MFVRGRXHPSVCFE-KRWDZBQOSA-N 1 2 342.549 2.868 20 70 EFIDLO C[C@@H]1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)[C@H](C)C1 ZINC000160190988 310695853 /nfs/dbraw/zinc/69/58/53/310695853.db2.gz RTGLZTKUZGNCQH-JFIYKMOQSA-N 1 2 330.476 2.734 20 70 EFIDLO COC(=O)c1csc(NC(=O)NCc2cn3c(cccc3C)[nH+]2)c1 ZINC000160774702 310702789 /nfs/dbraw/zinc/70/27/89/310702789.db2.gz AAFKNUKCYXXNBC-UHFFFAOYSA-N 1 2 344.396 2.813 20 70 EFIDLO CC[N@H+](CC(=O)N[C@@H](C)c1ccc(Cl)cc1)Cc1cnn(C)c1 ZINC000161087783 473205549 /nfs/dbraw/zinc/20/55/49/473205549.db2.gz RFJMUKPQMMTFIX-ZDUSSCGKSA-N 1 2 334.851 2.773 20 70 EFIDLO CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(Cl)cc1)Cc1cnn(C)c1 ZINC000161087783 473205552 /nfs/dbraw/zinc/20/55/52/473205552.db2.gz RFJMUKPQMMTFIX-ZDUSSCGKSA-N 1 2 334.851 2.773 20 70 EFIDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000161104253 473207496 /nfs/dbraw/zinc/20/74/96/473207496.db2.gz VOLXFBZLEPIIPE-ZDUSSCGKSA-N 1 2 334.851 2.600 20 70 EFIDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000161104253 473207499 /nfs/dbraw/zinc/20/74/99/473207499.db2.gz VOLXFBZLEPIIPE-ZDUSSCGKSA-N 1 2 334.851 2.600 20 70 EFIDLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](CC)Cc1cnn(C)c1 ZINC000161108593 473207658 /nfs/dbraw/zinc/20/76/58/473207658.db2.gz CWOKRWYXPKGBOB-MRXNPFEDSA-N 1 2 346.500 2.840 20 70 EFIDLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+](CC)Cc1cnn(C)c1 ZINC000161108593 473207662 /nfs/dbraw/zinc/20/76/62/473207662.db2.gz CWOKRWYXPKGBOB-MRXNPFEDSA-N 1 2 346.500 2.840 20 70 EFIDLO CCO[C@@H]1CCC[N@H+](CC(=O)c2c[nH]c3ccc(C(=O)OC)cc23)C1 ZINC000161184921 473216148 /nfs/dbraw/zinc/21/61/48/473216148.db2.gz IXPPOKAAJSUAQU-CQSZACIVSA-N 1 2 344.411 2.638 20 70 EFIDLO CCO[C@@H]1CCC[N@@H+](CC(=O)c2c[nH]c3ccc(C(=O)OC)cc23)C1 ZINC000161184921 473216153 /nfs/dbraw/zinc/21/61/53/473216153.db2.gz IXPPOKAAJSUAQU-CQSZACIVSA-N 1 2 344.411 2.638 20 70 EFIDLO COC(=O)C1([N@H+](C)CC(=O)N2CCC[C@H]3CCCC[C@@H]32)CCCC1 ZINC000159382173 473023248 /nfs/dbraw/zinc/02/32/48/473023248.db2.gz WRCUDKIIVJSXFI-CVEARBPZSA-N 1 2 336.476 2.585 20 70 EFIDLO COC(=O)C1([N@@H+](C)CC(=O)N2CCC[C@H]3CCCC[C@@H]32)CCCC1 ZINC000159382173 473023253 /nfs/dbraw/zinc/02/32/53/473023253.db2.gz WRCUDKIIVJSXFI-CVEARBPZSA-N 1 2 336.476 2.585 20 70 EFIDLO CC[C@@H](C)c1cc(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)on1 ZINC000159478884 473030753 /nfs/dbraw/zinc/03/07/53/473030753.db2.gz QOOXZMBWFVFTMC-HUUCEWRRSA-N 1 2 337.464 2.665 20 70 EFIDLO C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159623309 473045421 /nfs/dbraw/zinc/04/54/21/473045421.db2.gz GWOHYXMNJUKOTN-LAUBAEHRSA-N 1 2 342.483 2.807 20 70 EFIDLO C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159623309 473045424 /nfs/dbraw/zinc/04/54/24/473045424.db2.gz GWOHYXMNJUKOTN-LAUBAEHRSA-N 1 2 342.483 2.807 20 70 EFIDLO CC(C)[C@@H](NC(=O)CSCC[NH+]1CCOCC1)c1ccccc1 ZINC000159959953 473075711 /nfs/dbraw/zinc/07/57/11/473075711.db2.gz FDQJSXBYKQEHKB-GOSISDBHSA-N 1 2 336.501 2.565 20 70 EFIDLO CC(C)[C@@H](SCC[NH+]1CCOCC1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000159958141 473075950 /nfs/dbraw/zinc/07/59/50/473075950.db2.gz YXMWSRSFXTYBEY-BRWVUGGUSA-N 1 2 342.549 2.581 20 70 EFIDLO C[C@@H](SCC[NH+]1CCOCC1)c1nc(-c2cccs2)no1 ZINC000160017670 473079787 /nfs/dbraw/zinc/07/97/87/473079787.db2.gz BJQNJDWYWHZLDQ-LLVKDONJSA-N 1 2 325.459 2.925 20 70 EFIDLO COCC[N@H+](Cc1ccc(Oc2ccccc2)c(F)c1)[C@H](C)C(N)=O ZINC000160030453 473081978 /nfs/dbraw/zinc/08/19/78/473081978.db2.gz ROZLDFYBDZADES-CQSZACIVSA-N 1 2 346.402 2.940 20 70 EFIDLO COCC[N@@H+](Cc1ccc(Oc2ccccc2)c(F)c1)[C@H](C)C(N)=O ZINC000160030453 473081985 /nfs/dbraw/zinc/08/19/85/473081985.db2.gz ROZLDFYBDZADES-CQSZACIVSA-N 1 2 346.402 2.940 20 70 EFIDLO CC(C)[C@@H](C(=O)N(C)c1ccc2c(c1)OCO2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000160182101 473095664 /nfs/dbraw/zinc/09/56/64/473095664.db2.gz CORBZBNPKGIJAV-IYOUNJFTSA-N 1 2 348.443 2.512 20 70 EFIDLO CC(C)[C@@H](C(=O)N(C)c1ccc2c(c1)OCO2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000160182101 473095671 /nfs/dbraw/zinc/09/56/71/473095671.db2.gz CORBZBNPKGIJAV-IYOUNJFTSA-N 1 2 348.443 2.512 20 70 EFIDLO COCCCCN(Cc1ccccc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160453335 473127600 /nfs/dbraw/zinc/12/76/00/473127600.db2.gz RBGBWIZYLBCPRM-GOSISDBHSA-N 1 2 341.455 2.901 20 70 EFIDLO CCN(Cc1[nH+]ccn1C(C)C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000160683073 473160997 /nfs/dbraw/zinc/16/09/97/473160997.db2.gz LHYBTPOAZRTNOI-UHFFFAOYSA-N 1 2 325.416 2.723 20 70 EFIDLO Cn1cc[nH+]c1CN1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000160888465 473187287 /nfs/dbraw/zinc/18/72/87/473187287.db2.gz UDKRXSXGMODUIL-CQSZACIVSA-N 1 2 336.233 2.756 20 70 EFIDLO CCc1nc(-c2ccccc2NC(=O)Cc2cn3ccccc3[nH+]2)n[nH]1 ZINC000160884889 473187319 /nfs/dbraw/zinc/18/73/19/473187319.db2.gz VFDICUDKXBNXSS-UHFFFAOYSA-N 1 2 346.394 2.863 20 70 EFIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+]3CCS[C@@H](C)[C@@H]3C)c2c1 ZINC000161159816 534248214 /nfs/dbraw/zinc/24/82/14/534248214.db2.gz XZHRVUGOECNFAB-RYUDHWBXSA-N 1 2 346.452 2.963 20 70 EFIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+]3CCS[C@@H](C)[C@@H]3C)c2c1 ZINC000161159816 534248216 /nfs/dbraw/zinc/24/82/16/534248216.db2.gz XZHRVUGOECNFAB-RYUDHWBXSA-N 1 2 346.452 2.963 20 70 EFIDLO O=C(Nc1cccc(N2CCCCC2=O)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000159721890 527358616 /nfs/dbraw/zinc/35/86/16/527358616.db2.gz JDQQVZVJEUEWNH-AWEZNQCLSA-N 1 2 338.411 2.601 20 70 EFIDLO CC[C@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1c(C)noc1C ZINC000160240708 529604535 /nfs/dbraw/zinc/60/45/35/529604535.db2.gz XPMMDOGJGYSMCG-INIZCTEOSA-N 1 2 342.443 2.965 20 70 EFIDLO O=C(Nc1nc(-c2ccccc2)ns1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160128681 239044376 /nfs/dbraw/zinc/04/43/76/239044376.db2.gz VADBMWHEOJZCNY-LBPRGKRZSA-N 1 2 325.397 2.603 20 70 EFIDLO Cc1nccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1Cl ZINC000159855366 544799321 /nfs/dbraw/zinc/79/93/21/544799321.db2.gz GFQJYMMRZSQSEL-LBPRGKRZSA-N 1 2 331.807 2.839 20 70 EFIDLO Cc1ccc(-c2nsc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)n2)s1 ZINC000161234251 544810648 /nfs/dbraw/zinc/81/06/48/544810648.db2.gz RXDGERLRQWARHU-SNVBAGLBSA-N 1 2 345.453 2.973 20 70 EFIDLO Cc1ccc(-c2nsc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)n2)s1 ZINC000161234396 544811649 /nfs/dbraw/zinc/81/16/49/544811649.db2.gz RXDGERLRQWARHU-JTQLQIEISA-N 1 2 345.453 2.973 20 70 EFIDLO O=C(CC[C@@H]1CCCO1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161306246 544812632 /nfs/dbraw/zinc/81/26/32/544812632.db2.gz FEBQVMVUGICFKH-INIZCTEOSA-N 1 2 336.863 2.943 20 70 EFIDLO CC(C)(C)OC(=O)NCC[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159626774 277198661 /nfs/dbraw/zinc/19/86/61/277198661.db2.gz NXWJDYAXIFATHV-LJQANCHMSA-N 1 2 332.444 2.685 20 70 EFIDLO CC(C)(C)OC(=O)NCC[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159626774 277198662 /nfs/dbraw/zinc/19/86/62/277198662.db2.gz NXWJDYAXIFATHV-LJQANCHMSA-N 1 2 332.444 2.685 20 70 EFIDLO CC(C)[C@@H](C(=O)Nc1cccc2c[nH]nc21)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000159431202 310687066 /nfs/dbraw/zinc/68/70/66/310687066.db2.gz OGVLPVCSTANIPK-XNJGSVPQSA-N 1 2 330.432 2.635 20 70 EFIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)N1c2ccccc2CC[C@H]1C ZINC000160058959 310694481 /nfs/dbraw/zinc/69/44/81/310694481.db2.gz NGOZVYNVQOZKRL-HZPDHXFCSA-N 1 2 348.512 2.808 20 70 EFIDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)N1c2ccccc2CC[C@H]1C ZINC000160059243 310694555 /nfs/dbraw/zinc/69/45/55/310694555.db2.gz NGOZVYNVQOZKRL-CVEARBPZSA-N 1 2 348.512 2.808 20 70 EFIDLO COc1ccc(-c2cncc(C(=O)N(C)Cc3[nH+]ccn3C)c2)cc1 ZINC000160147980 310695348 /nfs/dbraw/zinc/69/53/48/310695348.db2.gz XZSQDOROUIEQJK-UHFFFAOYSA-N 1 2 336.395 2.763 20 70 EFIDLO CC[C@@H](C)OCC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000160290308 310697285 /nfs/dbraw/zinc/69/72/85/310697285.db2.gz LUNBUBYJXWQTOX-SNVBAGLBSA-N 1 2 340.221 2.528 20 70 EFIDLO CC[C@@H]1CCC[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000160347170 310697934 /nfs/dbraw/zinc/69/79/34/310697934.db2.gz WMTBBLDFRLYYPB-SJORKVTESA-N 1 2 330.476 2.878 20 70 EFIDLO CCCC1(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)CCC1 ZINC000160711743 310702143 /nfs/dbraw/zinc/70/21/43/310702143.db2.gz ORTYDKMIMHMRRW-UHFFFAOYSA-N 1 2 330.476 2.879 20 70 EFIDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1ccccc1SC ZINC000161085234 473205407 /nfs/dbraw/zinc/20/54/07/473205407.db2.gz MMYPQZFGMZQXDV-ZDUSSCGKSA-N 1 2 332.473 2.991 20 70 EFIDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1ccccc1SC ZINC000161085234 473205413 /nfs/dbraw/zinc/20/54/13/473205413.db2.gz MMYPQZFGMZQXDV-ZDUSSCGKSA-N 1 2 332.473 2.991 20 70 EFIDLO CC[N@H+](CC(=O)N(C)[C@H]1CCCc2ccccc21)Cc1cnn(C)c1 ZINC000161091629 473205939 /nfs/dbraw/zinc/20/59/39/473205939.db2.gz YACFKXVBTSABNC-IBGZPJMESA-N 1 2 340.471 2.778 20 70 EFIDLO CC[N@@H+](CC(=O)N(C)[C@H]1CCCc2ccccc21)Cc1cnn(C)c1 ZINC000161091629 473205943 /nfs/dbraw/zinc/20/59/43/473205943.db2.gz YACFKXVBTSABNC-IBGZPJMESA-N 1 2 340.471 2.778 20 70 EFIDLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](CC)Cc1cnn(C)c1 ZINC000161108729 473207466 /nfs/dbraw/zinc/20/74/66/473207466.db2.gz CWOKRWYXPKGBOB-INIZCTEOSA-N 1 2 346.500 2.840 20 70 EFIDLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+](CC)Cc1cnn(C)c1 ZINC000161108729 473207471 /nfs/dbraw/zinc/20/74/71/473207471.db2.gz CWOKRWYXPKGBOB-INIZCTEOSA-N 1 2 346.500 2.840 20 70 EFIDLO CC[N@H+](CC(=O)N(C)Cc1ccc(Cl)s1)Cc1cnn(C)c1 ZINC000161101454 473207567 /nfs/dbraw/zinc/20/75/67/473207567.db2.gz YZAWUWOFRARBNY-UHFFFAOYSA-N 1 2 340.880 2.616 20 70 EFIDLO CC[N@@H+](CC(=O)N(C)Cc1ccc(Cl)s1)Cc1cnn(C)c1 ZINC000161101454 473207570 /nfs/dbraw/zinc/20/75/70/473207570.db2.gz YZAWUWOFRARBNY-UHFFFAOYSA-N 1 2 340.880 2.616 20 70 EFIDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000161115779 473208377 /nfs/dbraw/zinc/20/83/77/473208377.db2.gz OWLWQTFRIMLXBE-ZDUSSCGKSA-N 1 2 332.473 2.991 20 70 EFIDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000161115779 473208381 /nfs/dbraw/zinc/20/83/81/473208381.db2.gz OWLWQTFRIMLXBE-ZDUSSCGKSA-N 1 2 332.473 2.991 20 70 EFIDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1OC ZINC000161114937 473208629 /nfs/dbraw/zinc/20/86/29/473208629.db2.gz URTZOAAZPNUROO-GJZGRUSLSA-N 1 2 344.459 2.517 20 70 EFIDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1OC ZINC000161114937 473208635 /nfs/dbraw/zinc/20/86/35/473208635.db2.gz URTZOAAZPNUROO-GJZGRUSLSA-N 1 2 344.459 2.517 20 70 EFIDLO COc1c(F)cc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1F ZINC000161157376 473213380 /nfs/dbraw/zinc/21/33/80/473213380.db2.gz LTZRGIOWKZSLQZ-LLVKDONJSA-N 1 2 348.353 2.769 20 70 EFIDLO CCc1ncc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cn1 ZINC000161184900 473216135 /nfs/dbraw/zinc/21/61/35/473216135.db2.gz CNEFGJPXFYMUBX-UHFFFAOYSA-N 1 2 340.431 2.746 20 70 EFIDLO Cc1[nH+]c2ccccc2n1CCNC(=O)N[C@H]1CCOC(C)(C)C1 ZINC000161230851 473219130 /nfs/dbraw/zinc/21/91/30/473219130.db2.gz REVMDJBPWPELKI-AWEZNQCLSA-N 1 2 330.432 2.602 20 70 EFIDLO C[C@@H]1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C[C@@H]1C ZINC000161243508 473220224 /nfs/dbraw/zinc/22/02/24/473220224.db2.gz UDQHCWUGEYLLKP-IXDOHACOSA-N 1 2 330.476 2.734 20 70 EFIDLO CC(C)n1cccc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000161265369 473221518 /nfs/dbraw/zinc/22/15/18/473221518.db2.gz CVRADUYODZVBMP-GOSISDBHSA-N 1 2 341.455 2.700 20 70 EFIDLO CC(C)n1cccc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000161265369 473221520 /nfs/dbraw/zinc/22/15/20/473221520.db2.gz CVRADUYODZVBMP-GOSISDBHSA-N 1 2 341.455 2.700 20 70 EFIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+]3C[C@@H](C)S[C@@H](C)C3)c2c1 ZINC000161287323 473224246 /nfs/dbraw/zinc/22/42/46/473224246.db2.gz SPNIHWAJXUQXEH-TXEJJXNPSA-N 1 2 346.452 2.963 20 70 EFIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+]3C[C@@H](C)S[C@@H](C)C3)c2c1 ZINC000161287323 473224254 /nfs/dbraw/zinc/22/42/54/473224254.db2.gz SPNIHWAJXUQXEH-TXEJJXNPSA-N 1 2 346.452 2.963 20 70 EFIDLO CN(C)C(=O)Sc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161362052 473230175 /nfs/dbraw/zinc/23/01/75/473230175.db2.gz SELRDPXWNRHDGE-GFCCVEGCSA-N 1 2 344.440 2.858 20 70 EFIDLO Cc1occc1C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000161438319 473235425 /nfs/dbraw/zinc/23/54/25/473235425.db2.gz ODSIZZSATSAGNC-UHFFFAOYSA-N 1 2 347.846 2.793 20 70 EFIDLO CC(C)COc1ccc(CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161470168 473237742 /nfs/dbraw/zinc/23/77/42/473237742.db2.gz IWIPVNGUZIZCID-QGZVFWFLSA-N 1 2 341.455 2.839 20 70 EFIDLO CCC(=O)N1CCC[N@H+](Cc2ncc(-c3ccccc3F)o2)CC1 ZINC000159467262 473030312 /nfs/dbraw/zinc/03/03/12/473030312.db2.gz ZBHWAYVNPOSISH-UHFFFAOYSA-N 1 2 331.391 2.925 20 70 EFIDLO CCC(=O)N1CCC[N@@H+](Cc2ncc(-c3ccccc3F)o2)CC1 ZINC000159467262 473030318 /nfs/dbraw/zinc/03/03/18/473030318.db2.gz ZBHWAYVNPOSISH-UHFFFAOYSA-N 1 2 331.391 2.925 20 70 EFIDLO C[C@@H]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000159591460 473042401 /nfs/dbraw/zinc/04/24/01/473042401.db2.gz UXDYMFWEBZNDEU-IAGOWNOFSA-N 1 2 330.476 2.735 20 70 EFIDLO C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159601144 473043326 /nfs/dbraw/zinc/04/33/26/473043326.db2.gz RDABFHLNMFRRRH-LAUBAEHRSA-N 1 2 342.483 2.951 20 70 EFIDLO C[C@@H](C(=O)N1CCCCCC1)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159601144 473043333 /nfs/dbraw/zinc/04/33/33/473043333.db2.gz RDABFHLNMFRRRH-LAUBAEHRSA-N 1 2 342.483 2.951 20 70 EFIDLO C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159623195 473045488 /nfs/dbraw/zinc/04/54/88/473045488.db2.gz GWOHYXMNJUKOTN-DYESRHJHSA-N 1 2 342.483 2.807 20 70 EFIDLO C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159623195 473045491 /nfs/dbraw/zinc/04/54/91/473045491.db2.gz GWOHYXMNJUKOTN-DYESRHJHSA-N 1 2 342.483 2.807 20 70 EFIDLO CC(C)(C)OC(=O)NCC[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159626923 473045614 /nfs/dbraw/zinc/04/56/14/473045614.db2.gz NXWJDYAXIFATHV-IBGZPJMESA-N 1 2 332.444 2.685 20 70 EFIDLO CC(C)(C)OC(=O)NCC[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159626923 473045622 /nfs/dbraw/zinc/04/56/22/473045622.db2.gz NXWJDYAXIFATHV-IBGZPJMESA-N 1 2 332.444 2.685 20 70 EFIDLO Cc1ncc(C[NH+]2CCN(C(=O)[C@@H](C)c3ccsc3)CC2)s1 ZINC000159743710 473057007 /nfs/dbraw/zinc/05/70/07/473057007.db2.gz YJXDKKWDJKLHNM-LBPRGKRZSA-N 1 2 335.498 2.961 20 70 EFIDLO CC(C)[C@H](SCC[NH+]1CCOCC1)C(=O)Nc1ccccc1F ZINC000159780285 473060114 /nfs/dbraw/zinc/06/01/14/473060114.db2.gz PMIRBAAJTMQZJR-INIZCTEOSA-N 1 2 340.464 2.854 20 70 EFIDLO CCOc1ccc(-c2noc(CSCC[NH+]3CCOCC3)n2)cc1 ZINC000159862843 473067420 /nfs/dbraw/zinc/06/74/20/473067420.db2.gz VQJZNIPXSGOIHF-UHFFFAOYSA-N 1 2 349.456 2.701 20 70 EFIDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)Nc1ccc(F)cc1Cl ZINC000160042231 473082855 /nfs/dbraw/zinc/08/28/55/473082855.db2.gz NPRYDNMORIELOP-NSHDSACASA-N 1 2 346.855 2.872 20 70 EFIDLO CCCOCc1ccccc1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160099483 473087152 /nfs/dbraw/zinc/08/71/52/473087152.db2.gz QBGIDBFTXGZUIG-HNNXBMFYSA-N 1 2 327.428 2.689 20 70 EFIDLO CCOCCOCc1cccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000160107226 473088200 /nfs/dbraw/zinc/08/82/00/473088200.db2.gz XCERLNZQOQTMTI-MRXNPFEDSA-N 1 2 343.427 2.637 20 70 EFIDLO O=C(NCCCCOCCc1ccccc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160120160 473090313 /nfs/dbraw/zinc/09/03/13/473090313.db2.gz HXLJWZXZQVHTAP-GOSISDBHSA-N 1 2 341.455 2.601 20 70 EFIDLO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cccnc1C ZINC000160217903 473097629 /nfs/dbraw/zinc/09/76/29/473097629.db2.gz JIQHAQVKPIGPBC-UHFFFAOYSA-N 1 2 340.427 2.809 20 70 EFIDLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cccnc1C ZINC000160217903 473097634 /nfs/dbraw/zinc/09/76/34/473097634.db2.gz JIQHAQVKPIGPBC-UHFFFAOYSA-N 1 2 340.427 2.809 20 70 EFIDLO COc1ccc(CCCN(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000160298737 473104808 /nfs/dbraw/zinc/10/48/08/473104808.db2.gz CEMCYLQQGZUJCJ-MRXNPFEDSA-N 1 2 327.428 2.545 20 70 EFIDLO CC(C)CCn1ccc(NC(=O)NCc2cn3ccccc3[nH+]2)n1 ZINC000160320719 473107448 /nfs/dbraw/zinc/10/74/48/473107448.db2.gz ICDAAZDLQXTAJO-UHFFFAOYSA-N 1 2 326.404 2.899 20 70 EFIDLO CCc1nnc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)[nH]1 ZINC000160391493 473116452 /nfs/dbraw/zinc/11/64/52/473116452.db2.gz AYQVWJCSVJHECP-NSHDSACASA-N 1 2 328.395 2.851 20 70 EFIDLO O=C(Cc1cn2ccccc2[nH+]1)N[C@H]1CCOC2(CCCCC2)C1 ZINC000160407276 473118533 /nfs/dbraw/zinc/11/85/33/473118533.db2.gz AYNMEYFXLOWPGP-HNNXBMFYSA-N 1 2 327.428 2.875 20 70 EFIDLO Cc1cc(Cl)ccc1OCCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160437463 473124521 /nfs/dbraw/zinc/12/45/21/473124521.db2.gz NYCNUURSZZSILL-AWEZNQCLSA-N 1 2 347.846 2.993 20 70 EFIDLO O=C1C[N@H+](Cc2cccc(OCc3ccccc3Cl)c2)CCN1 ZINC000160513281 473135655 /nfs/dbraw/zinc/13/56/55/473135655.db2.gz NBZHARWJTIBOFB-UHFFFAOYSA-N 1 2 330.815 2.851 20 70 EFIDLO O=C1C[N@@H+](Cc2cccc(OCc3ccccc3Cl)c2)CCN1 ZINC000160513281 473135662 /nfs/dbraw/zinc/13/56/62/473135662.db2.gz NBZHARWJTIBOFB-UHFFFAOYSA-N 1 2 330.815 2.851 20 70 EFIDLO COc1cc(C)ccc1CNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000160521062 473136430 /nfs/dbraw/zinc/13/64/30/473136430.db2.gz GGUIKJOZLQFFIU-HNNXBMFYSA-N 1 2 342.443 2.614 20 70 EFIDLO COc1cc(C)ccc1CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000160521062 473136438 /nfs/dbraw/zinc/13/64/38/473136438.db2.gz GGUIKJOZLQFFIU-HNNXBMFYSA-N 1 2 342.443 2.614 20 70 EFIDLO Cc1nc2ccc(NC(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)cc2o1 ZINC000160545951 473140725 /nfs/dbraw/zinc/14/07/25/473140725.db2.gz WHOAMYKLELWXGF-AWEZNQCLSA-N 1 2 337.383 2.932 20 70 EFIDLO CC[N@H+](Cc1ccc(F)c(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000160557441 473142641 /nfs/dbraw/zinc/14/26/41/473142641.db2.gz XEKPBLPZJZVHJP-LLVKDONJSA-N 1 2 339.354 2.854 20 70 EFIDLO CC[N@@H+](Cc1ccc(F)c(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000160557441 473142645 /nfs/dbraw/zinc/14/26/45/473142645.db2.gz XEKPBLPZJZVHJP-LLVKDONJSA-N 1 2 339.354 2.854 20 70 EFIDLO Cc1nsc(N2CC[NH+](CCC(=O)c3ccc(C)cc3)CC2)n1 ZINC000160632826 473154143 /nfs/dbraw/zinc/15/41/43/473154143.db2.gz DIGOFEDEQNTHGA-UHFFFAOYSA-N 1 2 330.457 2.550 20 70 EFIDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(COC)o1 ZINC000160643081 473155349 /nfs/dbraw/zinc/15/53/49/473155349.db2.gz HCGKBENYDUSCSF-UHFFFAOYSA-N 1 2 332.400 2.895 20 70 EFIDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(COC)o1 ZINC000160643081 473155359 /nfs/dbraw/zinc/15/53/59/473155359.db2.gz HCGKBENYDUSCSF-UHFFFAOYSA-N 1 2 332.400 2.895 20 70 EFIDLO CC(C)CC1(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000160693187 473162202 /nfs/dbraw/zinc/16/22/02/473162202.db2.gz BDKFSHHTUIGNHU-UHFFFAOYSA-N 1 2 330.476 2.735 20 70 EFIDLO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccnn1C ZINC000160746179 473169441 /nfs/dbraw/zinc/16/94/41/473169441.db2.gz MPXVGQWJWBSCJX-UHFFFAOYSA-N 1 2 340.349 2.688 20 70 EFIDLO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccnn1C ZINC000160746179 473169449 /nfs/dbraw/zinc/16/94/49/473169449.db2.gz MPXVGQWJWBSCJX-UHFFFAOYSA-N 1 2 340.349 2.688 20 70 EFIDLO CCOC(=O)CC[C@@H]1CCCN(c2nc(C(C)C)[nH+]c(N(C)C)n2)C1 ZINC000160821612 473178065 /nfs/dbraw/zinc/17/80/65/473178065.db2.gz BOIHRAQDRMRDJX-AWEZNQCLSA-N 1 2 349.479 2.621 20 70 EFIDLO CCOC(=O)CC[C@@H]1CCCN(c2nc(N(C)C)nc(C(C)C)[nH+]2)C1 ZINC000160821612 473178068 /nfs/dbraw/zinc/17/80/68/473178068.db2.gz BOIHRAQDRMRDJX-AWEZNQCLSA-N 1 2 349.479 2.621 20 70 EFIDLO COc1cccc(COCCNc2nc(N(C)C)nc(C(C)C)[nH+]2)c1 ZINC000160841518 473181797 /nfs/dbraw/zinc/18/17/97/473181797.db2.gz VIDVSEAAAMUDEJ-UHFFFAOYSA-N 1 2 345.447 2.698 20 70 EFIDLO COc1cccc(COCCNc2nc(C(C)C)[nH+]c(N(C)C)n2)c1 ZINC000160841518 473181807 /nfs/dbraw/zinc/18/18/07/473181807.db2.gz VIDVSEAAAMUDEJ-UHFFFAOYSA-N 1 2 345.447 2.698 20 70 EFIDLO C[C@@H](Cc1nc2ccccc2s1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160891510 473187819 /nfs/dbraw/zinc/18/78/19/473187819.db2.gz DMENLGDDVCAKQG-STQMWFEESA-N 1 2 340.452 2.803 20 70 EFIDLO Cc1cnn(-c2ccc(S(=O)(=O)Nc3cc[nH+]cc3)cc2F)c1 ZINC000160901569 473189241 /nfs/dbraw/zinc/18/92/41/473189241.db2.gz RFDIIDOWOCOKQU-UHFFFAOYSA-N 1 2 332.360 2.516 20 70 EFIDLO Cc1[nH+]c2ccccn2c1CN1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000160963597 473195284 /nfs/dbraw/zinc/19/52/84/473195284.db2.gz AVIGMZYGXFIOME-ZDUSSCGKSA-N 1 2 326.366 2.711 20 70 EFIDLO Cc1nc2ccccn2c1C[NH+]1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000160963597 473195290 /nfs/dbraw/zinc/19/52/90/473195290.db2.gz AVIGMZYGXFIOME-ZDUSSCGKSA-N 1 2 326.366 2.711 20 70 EFIDLO CC(C)COc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000160988092 473196676 /nfs/dbraw/zinc/19/66/76/473196676.db2.gz ODNMAQSDOAVHDZ-IBGZPJMESA-N 1 2 346.471 2.545 20 70 EFIDLO COCCC1(CNC(=O)NCCCNc2cccc[nH+]2)CCCC1 ZINC000161036312 473200814 /nfs/dbraw/zinc/20/08/14/473200814.db2.gz OLXPRRTXVDOZRD-UHFFFAOYSA-N 1 2 334.464 2.780 20 70 EFIDLO COC(=O)c1cc(CN(C)Cc2cn3cc(C)ccc3[nH+]2)oc1C ZINC000159402448 533779066 /nfs/dbraw/zinc/77/90/66/533779066.db2.gz VKSDBTGQGQUXOF-UHFFFAOYSA-N 1 2 327.384 2.963 20 70 EFIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)Nc1cccc2ncccc21 ZINC000159827671 533993100 /nfs/dbraw/zinc/99/31/00/533993100.db2.gz BCPPKGJRBWTGTQ-CQSZACIVSA-N 1 2 345.468 2.627 20 70 EFIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+]3CCS[C@H](C)[C@H]3C)c2c1 ZINC000161159928 534248609 /nfs/dbraw/zinc/24/86/09/534248609.db2.gz XZHRVUGOECNFAB-VXGBXAGGSA-N 1 2 346.452 2.963 20 70 EFIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+]3CCS[C@H](C)[C@H]3C)c2c1 ZINC000161159928 534248613 /nfs/dbraw/zinc/24/86/13/534248613.db2.gz XZHRVUGOECNFAB-VXGBXAGGSA-N 1 2 346.452 2.963 20 70 EFIDLO C[C@@H]1CN(C(=O)NCCCn2cc[nH+]c2)C[C@@H](c2ccsc2)O1 ZINC000160182703 534312136 /nfs/dbraw/zinc/31/21/36/534312136.db2.gz LWZKKWHQYWJTGW-HIFRSBDPSA-N 1 2 334.445 2.506 20 70 EFIDLO CCCn1c(C)nnc1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000160708139 521622166 /nfs/dbraw/zinc/62/21/66/521622166.db2.gz BCCCFJDTMZAPCL-QGZVFWFLSA-N 1 2 336.480 2.547 20 70 EFIDLO Cc1sc(NC(=O)CSCC[NH+]2CCOCC2)c(C)c1C ZINC000160000336 534612573 /nfs/dbraw/zinc/61/25/73/534612573.db2.gz SOUWNFOGGIWNRW-UHFFFAOYSA-N 1 2 328.503 2.677 20 70 EFIDLO Cc1ncc(C[NH+]2CCN(C(=O)[C@H](C)c3cccs3)CC2)s1 ZINC000159743414 534735780 /nfs/dbraw/zinc/73/57/80/534735780.db2.gz JPFPUIWVMJYWLI-GFCCVEGCSA-N 1 2 335.498 2.961 20 70 EFIDLO C[C@@H](C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1CCOCC1 ZINC000159669774 524251308 /nfs/dbraw/zinc/25/13/08/524251308.db2.gz VAUBZLOHJXGRSY-OAHLLOKOSA-N 1 2 332.444 2.520 20 70 EFIDLO O=C1[C@H](SCC[NH+]2CCOCC2)CCN1c1cccc(Cl)c1 ZINC000159771048 534845973 /nfs/dbraw/zinc/84/59/73/534845973.db2.gz SOAPAYTYXODTOJ-OAHLLOKOSA-N 1 2 340.876 2.511 20 70 EFIDLO CC(C)(CNC(=O)c1cncc(-c2ccccc2)c1)[NH+]1CCOCC1 ZINC000159535336 527167017 /nfs/dbraw/zinc/16/70/17/527167017.db2.gz RBIPOPUGQQHNHX-UHFFFAOYSA-N 1 2 339.439 2.589 20 70 EFIDLO CCC[C@@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCO1 ZINC000159890045 527778284 /nfs/dbraw/zinc/77/82/84/527778284.db2.gz PRLYGNGAJHAGAO-QGZVFWFLSA-N 1 2 346.475 2.782 20 70 EFIDLO CCCOC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000160205405 528578497 /nfs/dbraw/zinc/57/84/97/528578497.db2.gz LIROGGBOQAYWKT-OAHLLOKOSA-N 1 2 334.416 2.535 20 70 EFIDLO CCCOC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000160205405 528578503 /nfs/dbraw/zinc/57/85/03/528578503.db2.gz LIROGGBOQAYWKT-OAHLLOKOSA-N 1 2 334.416 2.535 20 70 EFIDLO CC[C@H](c1ccccc1)[N@H+](CCn1c(C)csc1=O)CC(=O)OC ZINC000159656368 529181531 /nfs/dbraw/zinc/18/15/31/529181531.db2.gz FHWGXVFEYVSAGU-MRXNPFEDSA-N 1 2 348.468 2.845 20 70 EFIDLO CC[C@H](c1ccccc1)[N@@H+](CCn1c(C)csc1=O)CC(=O)OC ZINC000159656368 529181533 /nfs/dbraw/zinc/18/15/33/529181533.db2.gz FHWGXVFEYVSAGU-MRXNPFEDSA-N 1 2 348.468 2.845 20 70 EFIDLO CC[C@@H](OC1CCCCC1)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000159365809 529244317 /nfs/dbraw/zinc/24/43/17/529244317.db2.gz MBDAGOZYRGASFY-LJQANCHMSA-N 1 2 345.487 2.854 20 70 EFIDLO Cc1c(C(=O)NCCCn2cc[nH+]c2)cnn1-c1cc(C)ccc1C ZINC000160941120 239058758 /nfs/dbraw/zinc/05/87/58/239058758.db2.gz LDLAGXIGKJUKEP-UHFFFAOYSA-N 1 2 337.427 2.814 20 70 EFIDLO C[NH+](C)[C@@H](CNC(=O)c1cccc2[nH]cnc21)c1c(F)cccc1F ZINC000159557856 239029641 /nfs/dbraw/zinc/02/96/41/239029641.db2.gz GDBYUYOMFGJTHY-HNNXBMFYSA-N 1 2 344.365 2.874 20 70 EFIDLO Cc1cc(N[C@@H]2CCCN(CC(F)(F)F)C2=O)nc(C2CC2)[nH+]1 ZINC000161505821 239071521 /nfs/dbraw/zinc/07/15/21/239071521.db2.gz IKWRKNNTENTBEW-LLVKDONJSA-N 1 2 328.338 2.628 20 70 EFIDLO C[C@H](Sc1[nH+]cnc2c1cnn2C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000217861449 241279924 /nfs/dbraw/zinc/27/99/24/241279924.db2.gz MGTCQSJYUIPCAI-GMXVVIOVSA-N 1 2 333.461 2.539 20 70 EFIDLO COC(=O)C1([N@H+](C)CC(=O)N(Cc2ccccc2)C(C)C)CCCC1 ZINC000159451017 533225510 /nfs/dbraw/zinc/22/55/10/533225510.db2.gz WQINPVOYZAVRGH-UHFFFAOYSA-N 1 2 346.471 2.841 20 70 EFIDLO COC(=O)C1([N@@H+](C)CC(=O)N(Cc2ccccc2)C(C)C)CCCC1 ZINC000159451017 533225516 /nfs/dbraw/zinc/22/55/16/533225516.db2.gz WQINPVOYZAVRGH-UHFFFAOYSA-N 1 2 346.471 2.841 20 70 EFIDLO O=C(NCc1cn2ccccc2[nH+]1)c1csc([C@@H]2CCCO2)n1 ZINC000159493457 225228675 /nfs/dbraw/zinc/22/86/75/225228675.db2.gz LMPJPDFELZWGCF-ZDUSSCGKSA-N 1 2 328.397 2.572 20 70 EFIDLO Cc1ccsc1[C@H]1C[C@@H]1C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000159862229 225292947 /nfs/dbraw/zinc/29/29/47/225292947.db2.gz NQXXBSUBGYDEIO-IRXDYDNUSA-N 1 2 341.480 2.899 20 70 EFIDLO Cc1cc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc(Cl)n1 ZINC000160019248 225321287 /nfs/dbraw/zinc/32/12/87/225321287.db2.gz YYVVOZFNMQKBAI-UHFFFAOYSA-N 1 2 330.819 2.969 20 70 EFIDLO Cc1ccc([C@H](C)NC(=O)CSCC[NH+]2CCOCC2)cc1C ZINC000160045170 225326092 /nfs/dbraw/zinc/32/60/92/225326092.db2.gz PVFNXJRBPVUBEB-INIZCTEOSA-N 1 2 336.501 2.546 20 70 EFIDLO Cc1ccc(C(=O)N(C)CCCn2cc[nH+]c2)c(Br)n1 ZINC000160070061 225331927 /nfs/dbraw/zinc/33/19/27/225331927.db2.gz DVVUPUXEYHUXNS-UHFFFAOYSA-N 1 2 337.221 2.511 20 70 EFIDLO C[C@]1(O)CCCN(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000160224481 225364942 /nfs/dbraw/zinc/36/49/42/225364942.db2.gz LQAJHORYLUQDDM-IBGZPJMESA-N 1 2 346.475 2.518 20 70 EFIDLO Cc1cccn2cc(CCNC(=O)c3ccc(N(C)C)cc3F)[nH+]c12 ZINC000159882288 544799990 /nfs/dbraw/zinc/79/99/90/544799990.db2.gz WRMFPPICDYPYLN-UHFFFAOYSA-N 1 2 340.402 2.820 20 70 EFIDLO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C1CC1 ZINC000160877950 544808610 /nfs/dbraw/zinc/80/86/10/544808610.db2.gz RAKPETVPGYLREY-ABAIWWIYSA-N 1 2 344.411 2.665 20 70 EFIDLO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C1CC1 ZINC000160877950 544808614 /nfs/dbraw/zinc/80/86/14/544808614.db2.gz RAKPETVPGYLREY-ABAIWWIYSA-N 1 2 344.411 2.665 20 70 EFIDLO Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)[C@@H]3CCn4cc[nH+]c4C3)nc2c1 ZINC000161013375 544809893 /nfs/dbraw/zinc/80/98/93/544809893.db2.gz XEZQZIVGMNOLAD-PBHICJAKSA-N 1 2 349.438 2.994 20 70 EFIDLO Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@@H]3CCn4cc[nH+]c4C3)[nH]c2c1 ZINC000161013375 544809897 /nfs/dbraw/zinc/80/98/97/544809897.db2.gz XEZQZIVGMNOLAD-PBHICJAKSA-N 1 2 349.438 2.994 20 70 EFIDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000161396793 280101927 /nfs/dbraw/zinc/10/19/27/280101927.db2.gz FPBJSKZEHSGTNM-CZUORRHYSA-N 1 2 345.830 2.699 20 70 EFIDLO Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)[C@H]3CCn4cc[nH+]c4C3)nc2c1 ZINC000161013618 281025776 /nfs/dbraw/zinc/02/57/76/281025776.db2.gz XEZQZIVGMNOLAD-YOEHRIQHSA-N 1 2 349.438 2.994 20 70 EFIDLO Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@H]3CCn4cc[nH+]c4C3)[nH]c2c1 ZINC000161013618 281025781 /nfs/dbraw/zinc/02/57/81/281025781.db2.gz XEZQZIVGMNOLAD-YOEHRIQHSA-N 1 2 349.438 2.994 20 70 EFIDLO CCN(Cc1c[nH+]c2c(C)cccn12)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159902019 310692784 /nfs/dbraw/zinc/69/27/84/310692784.db2.gz OGVZLRBDAJKKLR-UHFFFAOYSA-N 1 2 347.422 2.901 20 70 EFIDLO O=C([C@H]1CCCO1)N1CC[NH+](Cc2ccc(-c3ccccc3)o2)CC1 ZINC000160960128 310704568 /nfs/dbraw/zinc/70/45/68/310704568.db2.gz VYDZFPFVLSITFV-LJQANCHMSA-N 1 2 340.423 2.770 20 70 EFIDLO CN1CC[C@H]([NH2+][C@@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)C1=O ZINC000161274147 310707925 /nfs/dbraw/zinc/70/79/25/310707925.db2.gz XWPDFTWXOJZGEA-RBUKOAKNSA-N 1 2 347.418 2.912 20 70 EFIDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000161073409 473204766 /nfs/dbraw/zinc/20/47/66/473204766.db2.gz VQZMLQVLBROOQK-GJZGRUSLSA-N 1 2 326.444 2.608 20 70 EFIDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000161073409 473204771 /nfs/dbraw/zinc/20/47/71/473204771.db2.gz VQZMLQVLBROOQK-GJZGRUSLSA-N 1 2 326.444 2.608 20 70 EFIDLO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+](CC)Cc1cnn(C)c1 ZINC000161112095 473208170 /nfs/dbraw/zinc/20/81/70/473208170.db2.gz YFYIJNXWXATBSJ-HNNXBMFYSA-N 1 2 333.436 2.736 20 70 EFIDLO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+](CC)Cc1cnn(C)c1 ZINC000161112095 473208174 /nfs/dbraw/zinc/20/81/74/473208174.db2.gz YFYIJNXWXATBSJ-HNNXBMFYSA-N 1 2 333.436 2.736 20 70 EFIDLO CC(C)N(C)C(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161120823 473209111 /nfs/dbraw/zinc/20/91/11/473209111.db2.gz SJQDMSOZLXIGRU-HUUCEWRRSA-N 1 2 344.377 2.680 20 70 EFIDLO CC(C)N(C)C(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161120823 473209115 /nfs/dbraw/zinc/20/91/15/473209115.db2.gz SJQDMSOZLXIGRU-HUUCEWRRSA-N 1 2 344.377 2.680 20 70 EFIDLO CC[N@H+](CC(=O)Nc1nc(-c2ccco2)cs1)Cc1cnn(C)c1 ZINC000161133239 473210307 /nfs/dbraw/zinc/21/03/07/473210307.db2.gz MVANNHGXSXHXSE-UHFFFAOYSA-N 1 2 345.428 2.597 20 70 EFIDLO CC[N@@H+](CC(=O)Nc1nc(-c2ccco2)cs1)Cc1cnn(C)c1 ZINC000161133239 473210311 /nfs/dbraw/zinc/21/03/11/473210311.db2.gz MVANNHGXSXHXSE-UHFFFAOYSA-N 1 2 345.428 2.597 20 70 EFIDLO CCN(CC(=O)Nc1cccc(OC)c1)Cc1cc(OC)cc[nH+]1 ZINC000161150543 473212138 /nfs/dbraw/zinc/21/21/38/473212138.db2.gz WVRHZHSKMDXZNP-UHFFFAOYSA-N 1 2 329.400 2.559 20 70 EFIDLO O=C(NCCCc1nc2c(s1)CCCC2)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161192378 473216000 /nfs/dbraw/zinc/21/60/00/473216000.db2.gz AARQCTOAIWLQPY-CYBMUJFWSA-N 1 2 344.484 2.530 20 70 EFIDLO Cn1cc[nH+]c1CS(=O)(=O)Cc1csc(-c2ccsc2)n1 ZINC000161201999 473217192 /nfs/dbraw/zinc/21/71/92/473217192.db2.gz VOGABOMZIRVVMW-UHFFFAOYSA-N 1 2 339.467 2.720 20 70 EFIDLO Cc1[nH]c2ccccc2c1CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161220412 473219078 /nfs/dbraw/zinc/21/90/78/473219078.db2.gz QEWBMVDZCCXBAR-HNNXBMFYSA-N 1 2 334.423 2.809 20 70 EFIDLO CC(C)CCC[C@@H](C)NC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161230248 473219090 /nfs/dbraw/zinc/21/90/90/473219090.db2.gz GXVYMNDAQXKVSK-GOSISDBHSA-N 1 2 346.519 2.530 20 70 EFIDLO CC(C)CCC[C@H](C)NC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161230362 473219336 /nfs/dbraw/zinc/21/93/36/473219336.db2.gz GXVYMNDAQXKVSK-SFHVURJKSA-N 1 2 346.519 2.530 20 70 EFIDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)ncn1 ZINC000161256779 473221085 /nfs/dbraw/zinc/22/10/85/473221085.db2.gz FUBAWYXMEQQGTL-UHFFFAOYSA-N 1 2 338.455 2.866 20 70 EFIDLO COc1ccccc1[C@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161324000 473226221 /nfs/dbraw/zinc/22/62/21/473226221.db2.gz RINOMNMZQRCWDF-GOEBONIOSA-N 1 2 325.412 2.818 20 70 EFIDLO Cc1cc2[nH+]cn(C[C@@H](O)Cn3ccc4occc4c3=O)c2cc1C ZINC000161391747 473231727 /nfs/dbraw/zinc/23/17/27/473231727.db2.gz XIPBMGGHNHUTAT-AWEZNQCLSA-N 1 2 337.379 2.622 20 70 EFIDLO COCc1ccc([C@@H]2CCCN2C(=O)Cc2cn3ccccc3[nH+]2)o1 ZINC000161434976 473235547 /nfs/dbraw/zinc/23/55/47/473235547.db2.gz DBSCBUVHWYNGEP-INIZCTEOSA-N 1 2 339.395 2.980 20 70 EFIDLO CCN(C(=O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1)c1ccccc1 ZINC000161470884 473237801 /nfs/dbraw/zinc/23/78/01/473237801.db2.gz YJNOIBCBBGKOQG-INIZCTEOSA-N 1 2 344.377 2.675 20 70 EFIDLO C[C@H]1CC[C@H](C)N1C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000161471743 473237904 /nfs/dbraw/zinc/23/79/04/473237904.db2.gz UTUWPJCXDCHWNF-GJZGRUSLSA-N 1 2 340.427 2.925 20 70 EFIDLO Cc1noc(C)c1[C@H](C)CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161475023 473238364 /nfs/dbraw/zinc/23/83/64/473238364.db2.gz JCGCIGUIYHWGIW-IUODEOHRSA-N 1 2 328.416 2.575 20 70 EFIDLO Cc1ccoc1C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000161507141 473240967 /nfs/dbraw/zinc/24/09/67/473240967.db2.gz MBBYKZMFWILRKX-UHFFFAOYSA-N 1 2 347.846 2.793 20 70 EFIDLO CCCCCNC(=O)[C@H](C)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159583066 473041277 /nfs/dbraw/zinc/04/12/77/473041277.db2.gz QLIKCCPOISAEHY-OXJNMPFZSA-N 1 2 330.472 2.855 20 70 EFIDLO CCCCCNC(=O)[C@H](C)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159583066 473041281 /nfs/dbraw/zinc/04/12/81/473041281.db2.gz QLIKCCPOISAEHY-OXJNMPFZSA-N 1 2 330.472 2.855 20 70 EFIDLO Cc1cc(C)n(-c2ccccc2NC(=O)[C@H]2CCn3cc[nH+]c3C2)n1 ZINC000159627397 473045479 /nfs/dbraw/zinc/04/54/79/473045479.db2.gz BAYKQBMZBBBKFG-HNNXBMFYSA-N 1 2 335.411 2.887 20 70 EFIDLO C[C@@H]1CCCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159641406 473046767 /nfs/dbraw/zinc/04/67/67/473046767.db2.gz QWJAASRKOUUPGL-SJORKVTESA-N 1 2 330.476 2.735 20 70 EFIDLO C[C@H]1CC(=O)CC[C@H]1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000159632989 473047391 /nfs/dbraw/zinc/04/73/91/473047391.db2.gz JTOWGIJCMZFHPG-MAUKXSAKSA-N 1 2 339.439 2.595 20 70 EFIDLO COC(=O)c1ccc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)o1 ZINC000159676019 473050589 /nfs/dbraw/zinc/05/05/89/473050589.db2.gz DXPKZDXJHPYPHC-LJQANCHMSA-N 1 2 327.380 2.740 20 70 EFIDLO COC(=O)c1ccc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)o1 ZINC000159676019 473050601 /nfs/dbraw/zinc/05/06/01/473050601.db2.gz DXPKZDXJHPYPHC-LJQANCHMSA-N 1 2 327.380 2.740 20 70 EFIDLO CN(C)c1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000159768526 473059080 /nfs/dbraw/zinc/05/90/80/473059080.db2.gz CQPNBGTYURUIQD-HNNXBMFYSA-N 1 2 325.416 2.548 20 70 EFIDLO O=C(CCCc1ccccc1)N1CC[NH+](CCOCC2CC2)CC1 ZINC000159949733 473074480 /nfs/dbraw/zinc/07/44/80/473074480.db2.gz MDVSLGGYEJMDJF-UHFFFAOYSA-N 1 2 330.472 2.580 20 70 EFIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000160059097 473083923 /nfs/dbraw/zinc/08/39/23/473083923.db2.gz NGOZVYNVQOZKRL-JKSUJKDBSA-N 1 2 348.512 2.808 20 70 EFIDLO COc1ccc([C@@H](CCO)Nc2nc(N(C)C)nc(C(C)C)[nH+]2)cc1 ZINC000160384089 473116084 /nfs/dbraw/zinc/11/60/84/473116084.db2.gz QRIFWKSHRRTEOS-OAHLLOKOSA-N 1 2 345.447 2.605 20 70 EFIDLO COc1ccc([C@@H](CCO)Nc2nc(C(C)C)[nH+]c(N(C)C)n2)cc1 ZINC000160384089 473116094 /nfs/dbraw/zinc/11/60/94/473116094.db2.gz QRIFWKSHRRTEOS-OAHLLOKOSA-N 1 2 345.447 2.605 20 70 EFIDLO CCc1nnc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)[nH]1 ZINC000160391632 473117112 /nfs/dbraw/zinc/11/71/12/473117112.db2.gz AYQVWJCSVJHECP-LLVKDONJSA-N 1 2 328.395 2.851 20 70 EFIDLO CCC[C@@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CCO1 ZINC000160538773 473138745 /nfs/dbraw/zinc/13/87/45/473138745.db2.gz JCBXVOKUYNXVCI-MRXNPFEDSA-N 1 2 328.416 2.583 20 70 EFIDLO CCc1cc(=O)[nH]c(C[N@H+](C)Cc2cc(OC)c(OC)cc2C)n1 ZINC000160565296 473143352 /nfs/dbraw/zinc/14/33/52/473143352.db2.gz SRFRJQZGZUTROW-UHFFFAOYSA-N 1 2 331.416 2.702 20 70 EFIDLO CCc1cc(=O)[nH]c(C[N@@H+](C)Cc2cc(OC)c(OC)cc2C)n1 ZINC000160565296 473143356 /nfs/dbraw/zinc/14/33/56/473143356.db2.gz SRFRJQZGZUTROW-UHFFFAOYSA-N 1 2 331.416 2.702 20 70 EFIDLO CC[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000160569826 473144104 /nfs/dbraw/zinc/14/41/04/473144104.db2.gz UVBSLKWAXKQWHH-ZDUSSCGKSA-N 1 2 339.354 2.854 20 70 EFIDLO CC[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000160569826 473144111 /nfs/dbraw/zinc/14/41/11/473144111.db2.gz UVBSLKWAXKQWHH-ZDUSSCGKSA-N 1 2 339.354 2.854 20 70 EFIDLO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1c[nH]nc1C ZINC000160748660 473171680 /nfs/dbraw/zinc/17/16/80/473171680.db2.gz ZYAHQRFAYPRZEX-UHFFFAOYSA-N 1 2 340.349 2.986 20 70 EFIDLO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1c[nH]nc1C ZINC000160748660 473171686 /nfs/dbraw/zinc/17/16/86/473171686.db2.gz ZYAHQRFAYPRZEX-UHFFFAOYSA-N 1 2 340.349 2.986 20 70 EFIDLO Cc1nn(C)c(N2CCOCC2)c1C[N@H+](C)Cc1ccccc1Cl ZINC000160825247 473179986 /nfs/dbraw/zinc/17/99/86/473179986.db2.gz BCIUXQRYSHLNKL-UHFFFAOYSA-N 1 2 348.878 2.851 20 70 EFIDLO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](C)Cc1ccccc1Cl ZINC000160825247 473179989 /nfs/dbraw/zinc/17/99/89/473179989.db2.gz BCIUXQRYSHLNKL-UHFFFAOYSA-N 1 2 348.878 2.851 20 70 EFIDLO CC(C)S(=O)(=O)CCC[N@H+](C)Cc1ccc(Br)o1 ZINC000160829817 473180126 /nfs/dbraw/zinc/18/01/26/473180126.db2.gz IIBYDOGHYLPVNO-UHFFFAOYSA-N 1 2 338.267 2.687 20 70 EFIDLO CC(C)S(=O)(=O)CCC[N@@H+](C)Cc1ccc(Br)o1 ZINC000160829817 473180130 /nfs/dbraw/zinc/18/01/30/473180130.db2.gz IIBYDOGHYLPVNO-UHFFFAOYSA-N 1 2 338.267 2.687 20 70 EFIDLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cnn(CC)c1 ZINC000160893161 473188119 /nfs/dbraw/zinc/18/81/19/473188119.db2.gz BNOXXZGJVISUBW-UHFFFAOYSA-N 1 2 330.432 2.762 20 70 EFIDLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cnn(CC)c1 ZINC000160893161 473188123 /nfs/dbraw/zinc/18/81/23/473188123.db2.gz BNOXXZGJVISUBW-UHFFFAOYSA-N 1 2 330.432 2.762 20 70 EFIDLO Cc1ccccc1CC(=O)N1CCN(Cc2[nH+]ccn2C(C)C)CC1 ZINC000160895257 473188309 /nfs/dbraw/zinc/18/83/09/473188309.db2.gz AYFMUVQJPSOPNL-UHFFFAOYSA-N 1 2 340.471 2.659 20 70 EFIDLO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C(=O)OC)c2ccccc2)C[C@@H]1C ZINC000161039273 473202038 /nfs/dbraw/zinc/20/20/38/473202038.db2.gz LPJQDNNJGSEREK-LLLHUVSDSA-N 1 2 333.428 2.858 20 70 EFIDLO COc1ccc(Br)cc1/C=C\C(=O)NCc1[nH]cc[nH+]1 ZINC000217008337 474141929 /nfs/dbraw/zinc/14/19/29/474141929.db2.gz INBGXBPUZYPSRS-DJWKRKHSSA-N 1 2 336.189 2.510 20 70 EFIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)Nc1cccc(Cl)c1 ZINC000160041973 533993512 /nfs/dbraw/zinc/99/35/12/533993512.db2.gz ODVFIJBAOWQCFB-GFCCVEGCSA-N 1 2 328.865 2.732 20 70 EFIDLO Cc1ccc([C@@H](CNC(=O)NC2(C)CCC2)[NH+]2CCOCC2)cc1 ZINC000159751035 534218255 /nfs/dbraw/zinc/21/82/55/534218255.db2.gz HENYUYWIWPXIEZ-QGZVFWFLSA-N 1 2 331.460 2.610 20 70 EFIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+]3CCS[C@H](C)[C@@H]3C)c2c1 ZINC000161160012 534248586 /nfs/dbraw/zinc/24/85/86/534248586.db2.gz XZHRVUGOECNFAB-NWDGAFQWSA-N 1 2 346.452 2.963 20 70 EFIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+]3CCS[C@H](C)[C@@H]3C)c2c1 ZINC000161160012 534248588 /nfs/dbraw/zinc/24/85/88/534248588.db2.gz XZHRVUGOECNFAB-NWDGAFQWSA-N 1 2 346.452 2.963 20 70 EFIDLO Clc1ccc(-c2noc(CSCC[NH+]3CCOCC3)n2)cc1 ZINC000160048575 534635155 /nfs/dbraw/zinc/63/51/55/534635155.db2.gz UIHDIDIQIWHXMO-UHFFFAOYSA-N 1 2 339.848 2.955 20 70 EFIDLO Cc1csc(-c2cccc(C(=O)N[C@@H](C)C[NH+]3CCOCC3)c2)n1 ZINC000159905855 534762747 /nfs/dbraw/zinc/76/27/47/534762747.db2.gz LLVHCNRRTHGKLE-ZDUSSCGKSA-N 1 2 345.468 2.569 20 70 EFIDLO CC(C)Cc1nnc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000160056943 528678505 /nfs/dbraw/zinc/67/85/05/528678505.db2.gz ATUURGSHEAQTEN-GFCCVEGCSA-N 1 2 346.460 2.532 20 70 EFIDLO CC(C)[N@H+](CCc1nccs1)Cc1noc(C2CCOCC2)n1 ZINC000159750014 528917152 /nfs/dbraw/zinc/91/71/52/528917152.db2.gz QTMVUJSCCCXSHX-UHFFFAOYSA-N 1 2 336.461 2.873 20 70 EFIDLO CC(C)[N@@H+](CCc1nccs1)Cc1noc(C2CCOCC2)n1 ZINC000159750014 528917154 /nfs/dbraw/zinc/91/71/54/528917154.db2.gz QTMVUJSCCCXSHX-UHFFFAOYSA-N 1 2 336.461 2.873 20 70 EFIDLO CN(CC(C)(C)C[NH+]1CCOCC1)c1nc(C(C)(C)C)ns1 ZINC000160078642 529846366 /nfs/dbraw/zinc/84/63/66/529846366.db2.gz MTJUHEPXOYAREY-UHFFFAOYSA-N 1 2 326.510 2.630 20 70 EFIDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CCCn2cccc2)CC1 ZINC000159553441 239030673 /nfs/dbraw/zinc/03/06/73/239030673.db2.gz IVPMITPRVBYUSS-QGZVFWFLSA-N 1 2 326.444 2.569 20 70 EFIDLO COc1ccc(C[NH+]2CCN(C(=O)C3=C(C)OCCC3)CC2)cc1F ZINC000159639446 533560310 /nfs/dbraw/zinc/56/03/10/533560310.db2.gz XTMOTWAYDJWURN-UHFFFAOYSA-N 1 2 348.418 2.563 20 70 EFIDLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)[C@H](O)c1ccccc1 ZINC000159802478 225282212 /nfs/dbraw/zinc/28/22/12/225282212.db2.gz UPYOVZADMNSFBO-LJQANCHMSA-N 1 2 339.439 2.812 20 70 EFIDLO C[C@]1(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCCS1 ZINC000159859436 225291737 /nfs/dbraw/zinc/29/17/37/225291737.db2.gz KIUGWDMKGAUGPQ-QGZVFWFLSA-N 1 2 334.489 2.767 20 70 EFIDLO COCc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)o1 ZINC000160175437 544803073 /nfs/dbraw/zinc/80/30/73/544803073.db2.gz YOTADCVXVAQGOM-VMPITWQZSA-N 1 2 340.423 2.897 20 70 EFIDLO C[N@H+](CCCCS(C)(=O)=O)Cc1ccccc1Br ZINC000161126640 544809739 /nfs/dbraw/zinc/80/97/39/544809739.db2.gz AVHAHQJDADFQJP-UHFFFAOYSA-N 1 2 334.279 2.706 20 70 EFIDLO C[N@@H+](CCCCS(C)(=O)=O)Cc1ccccc1Br ZINC000161126640 544809740 /nfs/dbraw/zinc/80/97/40/544809740.db2.gz AVHAHQJDADFQJP-UHFFFAOYSA-N 1 2 334.279 2.706 20 70 EFIDLO CC(C)n1cc[nH+]c1CN1CCCN(C(=O)c2ccccc2F)CC1 ZINC000160757536 278134997 /nfs/dbraw/zinc/13/49/97/278134997.db2.gz XOPNJMFRSOSWOU-UHFFFAOYSA-N 1 2 344.434 2.951 20 70 EFIDLO C[C@@H]1CC(NC(=O)Nc2ccccc2C[NH+]2CCOCC2)C[C@@H](C)O1 ZINC000159658509 310690024 /nfs/dbraw/zinc/69/00/24/310690024.db2.gz OOSFUIQTHBBRLZ-HUUCEWRRSA-N 1 2 347.459 2.596 20 70 EFIDLO Cc1cc(Cl)cc(C)c1C[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000160968049 310704488 /nfs/dbraw/zinc/70/44/88/310704488.db2.gz AOGVYSLWLIKLSP-KRWDZBQOSA-N 1 2 336.863 2.780 20 70 EFIDLO CC[N@H+](CC(=O)N[C@@H](C)c1ccccc1Cl)Cc1cnn(C)c1 ZINC000161088074 473205361 /nfs/dbraw/zinc/20/53/61/473205361.db2.gz YQYANDRJVUSPNR-ZDUSSCGKSA-N 1 2 334.851 2.773 20 70 EFIDLO CC[N@@H+](CC(=O)N[C@@H](C)c1ccccc1Cl)Cc1cnn(C)c1 ZINC000161088074 473205363 /nfs/dbraw/zinc/20/53/63/473205363.db2.gz YQYANDRJVUSPNR-ZDUSSCGKSA-N 1 2 334.851 2.773 20 70 EFIDLO CC[N@H+](CC(=O)N(Cc1ccccc1)C(C)C)Cc1cnn(C)c1 ZINC000161099880 473205997 /nfs/dbraw/zinc/20/59/97/473205997.db2.gz GIQQFWTYBJYGNK-UHFFFAOYSA-N 1 2 328.460 2.679 20 70 EFIDLO CC[N@@H+](CC(=O)N(Cc1ccccc1)C(C)C)Cc1cnn(C)c1 ZINC000161099880 473206002 /nfs/dbraw/zinc/20/60/02/473206002.db2.gz GIQQFWTYBJYGNK-UHFFFAOYSA-N 1 2 328.460 2.679 20 70 EFIDLO CC(C)COC[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccco1 ZINC000161107640 473206806 /nfs/dbraw/zinc/20/68/06/473206806.db2.gz DGPYIGZSALPSNI-LSDHHAIUSA-N 1 2 331.416 2.569 20 70 EFIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000161142677 473211435 /nfs/dbraw/zinc/21/14/35/473211435.db2.gz VRUOUIVARJKKHE-CQSZACIVSA-N 1 2 343.427 2.906 20 70 EFIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000161142677 473211438 /nfs/dbraw/zinc/21/14/38/473211438.db2.gz VRUOUIVARJKKHE-CQSZACIVSA-N 1 2 343.427 2.906 20 70 EFIDLO O=C(NCCCc1nc2c(s1)CCCC2)[C@H]1CCn2cc[nH+]c2C1 ZINC000161192491 473216468 /nfs/dbraw/zinc/21/64/68/473216468.db2.gz AARQCTOAIWLQPY-ZDUSSCGKSA-N 1 2 344.484 2.530 20 70 EFIDLO Cc1ccccc1NC(=O)[C@H](C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161194797 473215803 /nfs/dbraw/zinc/21/58/03/473215803.db2.gz KQOUMTMSIXNFLN-KRWDZBQOSA-N 1 2 338.455 2.535 20 70 EFIDLO C[N@@H+]1CCc2nc(NC(=O)c3c(F)ccc(F)c3F)sc2C1 ZINC000161272212 473222900 /nfs/dbraw/zinc/22/29/00/473222900.db2.gz JISXZJMJTXVFEA-UHFFFAOYSA-N 1 2 327.331 2.801 20 70 EFIDLO C[N@H+]1CCc2nc(NC(=O)c3c(F)ccc(F)c3F)sc2C1 ZINC000161272212 473222903 /nfs/dbraw/zinc/22/29/03/473222903.db2.gz JISXZJMJTXVFEA-UHFFFAOYSA-N 1 2 327.331 2.801 20 70 EFIDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)N[C@@H](CCO)C(C)(C)C ZINC000161295515 473224396 /nfs/dbraw/zinc/22/43/96/473224396.db2.gz OQNKOXLNWCLVAC-KRWDZBQOSA-N 1 2 346.475 2.831 20 70 EFIDLO O=C(N[C@@H](c1nccs1)c1ccccc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161413108 473233791 /nfs/dbraw/zinc/23/37/91/473233791.db2.gz DIXZZPVLUJRDAP-GDBMZVCRSA-N 1 2 338.436 2.808 20 70 EFIDLO O=C(NCCc1cn2ccccc2[nH+]1)c1csc([C@@H]2CCCO2)n1 ZINC000161435535 473235193 /nfs/dbraw/zinc/23/51/93/473235193.db2.gz SWCMXDLJSMKDHW-AWEZNQCLSA-N 1 2 342.424 2.615 20 70 EFIDLO COc1cc(/C=C/C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)ccc1F ZINC000161472805 473238015 /nfs/dbraw/zinc/23/80/15/473238015.db2.gz KVTNPPROCHICJV-VFADXPBXSA-N 1 2 341.386 2.638 20 70 EFIDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2cccc3[nH]c(=O)oc32)c1 ZINC000159385956 473023633 /nfs/dbraw/zinc/02/36/33/473023633.db2.gz LAIJBAIHNOHRJY-UHFFFAOYSA-N 1 2 334.335 2.774 20 70 EFIDLO CC[C@H](C)c1cc(C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)on1 ZINC000159479220 473031858 /nfs/dbraw/zinc/03/18/58/473031858.db2.gz QOOXZMBWFVFTMC-GJZGRUSLSA-N 1 2 337.464 2.665 20 70 EFIDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1nnnn1-c1ccccc1 ZINC000159713923 473054335 /nfs/dbraw/zinc/05/43/35/473054335.db2.gz DPRZVWHZMRSGIG-UHFFFAOYSA-N 1 2 345.410 2.544 20 70 EFIDLO Cc1ncc(C[NH+]2CCN(C(=O)[C@H](C)c3ccsc3)CC2)s1 ZINC000159743836 473056975 /nfs/dbraw/zinc/05/69/75/473056975.db2.gz YJXDKKWDJKLHNM-GFCCVEGCSA-N 1 2 335.498 2.961 20 70 EFIDLO Clc1cccc(-c2nnc(CSCC[NH+]3CCOCC3)o2)c1 ZINC000159774263 473059576 /nfs/dbraw/zinc/05/95/76/473059576.db2.gz TYGGXJNUYWTPIQ-UHFFFAOYSA-N 1 2 339.848 2.955 20 70 EFIDLO CC1(C)Cc2nc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)sc2C(=O)C1 ZINC000159794600 473062408 /nfs/dbraw/zinc/06/24/08/473062408.db2.gz ZCLXITPNUWZXTA-SNVBAGLBSA-N 1 2 344.440 2.696 20 70 EFIDLO Clc1cccc(-c2noc(CSCC[NH+]3CCOCC3)n2)c1 ZINC000159925302 473072985 /nfs/dbraw/zinc/07/29/85/473072985.db2.gz DJDNUQPUFGYOPX-UHFFFAOYSA-N 1 2 339.848 2.955 20 70 EFIDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000160059396 473084450 /nfs/dbraw/zinc/08/44/50/473084450.db2.gz NGOZVYNVQOZKRL-HOTGVXAUSA-N 1 2 348.512 2.808 20 70 EFIDLO CC(C)(C)NC(=O)c1cccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000160101156 473086845 /nfs/dbraw/zinc/08/68/45/473086845.db2.gz WDMOKNBOZZIRAY-AWEZNQCLSA-N 1 2 340.427 2.613 20 70 EFIDLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(COC)o1 ZINC000160230460 473099097 /nfs/dbraw/zinc/09/90/97/473099097.db2.gz RZXVXDKETIFFAT-UHFFFAOYSA-N 1 2 334.391 2.703 20 70 EFIDLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(COC)o1 ZINC000160230460 473099100 /nfs/dbraw/zinc/09/91/00/473099100.db2.gz RZXVXDKETIFFAT-UHFFFAOYSA-N 1 2 334.391 2.703 20 70 EFIDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)C1CCCCC1 ZINC000160363509 473112509 /nfs/dbraw/zinc/11/25/09/473112509.db2.gz YLFMBAAHEMNUOF-INIZCTEOSA-N 1 2 330.476 2.878 20 70 EFIDLO CC[C@@H](C)NC(=O)c1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000160367387 473113227 /nfs/dbraw/zinc/11/32/27/473113227.db2.gz ZRKWAXHMPMASLS-UKRRQHHQSA-N 1 2 340.427 2.613 20 70 EFIDLO CC[C@H](C)NC(=O)c1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000160367501 473113381 /nfs/dbraw/zinc/11/33/81/473113381.db2.gz ZRKWAXHMPMASLS-DZGCQCFKSA-N 1 2 340.427 2.613 20 70 EFIDLO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@H]1C(=O)Nc1nccs1 ZINC000160388648 473115590 /nfs/dbraw/zinc/11/55/90/473115590.db2.gz GZPQJNVUPXBVSQ-ZDUSSCGKSA-N 1 2 341.440 2.702 20 70 EFIDLO Cc1nc2ccccn2c1C[N@H+]1CCC[C@H]1C(=O)Nc1nccs1 ZINC000160388648 473115595 /nfs/dbraw/zinc/11/55/95/473115595.db2.gz GZPQJNVUPXBVSQ-ZDUSSCGKSA-N 1 2 341.440 2.702 20 70 EFIDLO Cc1[nH+]c2ccccn2c1CN1CCC[C@H]1C(=O)Nc1nccs1 ZINC000160388648 473115597 /nfs/dbraw/zinc/11/55/97/473115597.db2.gz GZPQJNVUPXBVSQ-ZDUSSCGKSA-N 1 2 341.440 2.702 20 70 EFIDLO CC[N@H+](CCCNC(=O)CCC(=O)NC1CCCC1)c1ccccc1 ZINC000160406704 473118330 /nfs/dbraw/zinc/11/83/30/473118330.db2.gz SSVLCRJKOBWEOR-UHFFFAOYSA-N 1 2 345.487 2.858 20 70 EFIDLO CC[N@@H+](CCCNC(=O)CCC(=O)NC1CCCC1)c1ccccc1 ZINC000160406704 473118337 /nfs/dbraw/zinc/11/83/37/473118337.db2.gz SSVLCRJKOBWEOR-UHFFFAOYSA-N 1 2 345.487 2.858 20 70 EFIDLO C[N@H+](CCOc1ccc(Oc2ccccc2)cc1)CCS(C)(=O)=O ZINC000160429991 473122203 /nfs/dbraw/zinc/12/22/03/473122203.db2.gz CZAIZCIBDPMOBZ-UHFFFAOYSA-N 1 2 349.452 2.834 20 70 EFIDLO C[N@@H+](CCOc1ccc(Oc2ccccc2)cc1)CCS(C)(=O)=O ZINC000160429991 473122206 /nfs/dbraw/zinc/12/22/06/473122206.db2.gz CZAIZCIBDPMOBZ-UHFFFAOYSA-N 1 2 349.452 2.834 20 70 EFIDLO C[C@@H]1C[NH+](C[C@@H]2CCCN2c2c(F)c(F)nc(F)c2F)C[C@@H](C)O1 ZINC000160502671 473134408 /nfs/dbraw/zinc/13/44/08/473134408.db2.gz RHVJUNJSBIILBF-MXWKQRLJSA-N 1 2 347.356 2.716 20 70 EFIDLO Cc1cnc(=S)n(C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C)c1 ZINC000160535040 473139253 /nfs/dbraw/zinc/13/92/53/473139253.db2.gz AFVLMIUVLJBCME-UHFFFAOYSA-N 1 2 326.466 2.677 20 70 EFIDLO Cc1cnc(=S)n(C[N@H+](C)CCN(C)C(=O)OC(C)(C)C)c1 ZINC000160535040 473139259 /nfs/dbraw/zinc/13/92/59/473139259.db2.gz AFVLMIUVLJBCME-UHFFFAOYSA-N 1 2 326.466 2.677 20 70 EFIDLO CC(C)S(=O)(=O)CCC[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000160572538 473144957 /nfs/dbraw/zinc/14/49/57/473144957.db2.gz WPOKSMOSAAMMRU-OAHLLOKOSA-N 1 2 345.530 2.942 20 70 EFIDLO CC(C)S(=O)(=O)CCC[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000160572538 473144964 /nfs/dbraw/zinc/14/49/64/473144964.db2.gz WPOKSMOSAAMMRU-OAHLLOKOSA-N 1 2 345.530 2.942 20 70 EFIDLO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1occc1C ZINC000160672009 473158806 /nfs/dbraw/zinc/15/88/06/473158806.db2.gz ANRNLSSMKURKTD-UHFFFAOYSA-N 1 2 330.384 2.820 20 70 EFIDLO CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1occc1C ZINC000160672009 473158811 /nfs/dbraw/zinc/15/88/11/473158811.db2.gz ANRNLSSMKURKTD-UHFFFAOYSA-N 1 2 330.384 2.820 20 70 EFIDLO CCOC(=O)c1ccc(C[NH+]2CCN(c3cccc(OC)c3)CC2)o1 ZINC000160695714 473163172 /nfs/dbraw/zinc/16/31/72/473163172.db2.gz ANKCBAPHHPUHCE-UHFFFAOYSA-N 1 2 344.411 2.787 20 70 EFIDLO CCCNC(=O)[C@H]1CN(Cc2[nH+]ccn2C(C)C)c2ccccc2O1 ZINC000160699407 473163524 /nfs/dbraw/zinc/16/35/24/473163524.db2.gz OPPYGMLYXCRQJP-QGZVFWFLSA-N 1 2 342.443 2.758 20 70 EFIDLO COc1cccc(N2CCN(Cc3c[nH+]c4ccc(C)cn34)CC2)c1 ZINC000160698824 473163545 /nfs/dbraw/zinc/16/35/45/473163545.db2.gz INULAKDBRMZEAD-UHFFFAOYSA-N 1 2 336.439 2.974 20 70 EFIDLO COc1cccc(Cl)c1CC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000160700888 473163887 /nfs/dbraw/zinc/16/38/87/473163887.db2.gz BEGRTPPMRMBTCC-CQSZACIVSA-N 1 2 346.814 2.966 20 70 EFIDLO CN(CCCn1cc[nH+]c1)C(=O)NCC1(Cc2ccccc2)CC1 ZINC000160728606 473167216 /nfs/dbraw/zinc/16/72/16/473167216.db2.gz YLINDAUCZVLGOL-UHFFFAOYSA-N 1 2 326.444 2.938 20 70 EFIDLO CCCC[N@H+](Cc1c(C)nn(CCC)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000160755644 473170913 /nfs/dbraw/zinc/17/09/13/473170913.db2.gz HBUHHYXOWFMCLJ-MRXNPFEDSA-N 1 2 341.521 2.699 20 70 EFIDLO CCCC[N@@H+](Cc1c(C)nn(CCC)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000160755644 473170920 /nfs/dbraw/zinc/17/09/20/473170920.db2.gz HBUHHYXOWFMCLJ-MRXNPFEDSA-N 1 2 341.521 2.699 20 70 EFIDLO O=C(NCc1cn2ccccc2[nH+]1)N1CCOC2(C1)CCCCCC2 ZINC000160761969 473172394 /nfs/dbraw/zinc/17/23/94/473172394.db2.gz SFDRTNWETPUTBA-UHFFFAOYSA-N 1 2 342.443 2.969 20 70 EFIDLO CCO[C@@H]1C[C@H](N(C)C(=O)NCc2cn3ccccc3[nH+]2)C12CCC2 ZINC000160761440 473172646 /nfs/dbraw/zinc/17/26/46/473172646.db2.gz WQZZKHZUMXBZMB-JKSUJKDBSA-N 1 2 342.443 2.823 20 70 EFIDLO Cn1ccnc1C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000160768448 473173467 /nfs/dbraw/zinc/17/34/67/473173467.db2.gz KDBURLGZFDJDFJ-INIZCTEOSA-N 1 2 327.432 2.596 20 70 EFIDLO Cn1ccnc1C[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000160768448 473173472 /nfs/dbraw/zinc/17/34/72/473173472.db2.gz KDBURLGZFDJDFJ-INIZCTEOSA-N 1 2 327.432 2.596 20 70 EFIDLO C[C@@H]1CCN(C(=O)Cc2ccc(O)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000160962440 473195233 /nfs/dbraw/zinc/19/52/33/473195233.db2.gz WJPOVGGVOSKMOE-WBMJQRKESA-N 1 2 333.819 2.894 20 70 EFIDLO COc1cc(CN(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)ccc1SC ZINC000161006183 473198560 /nfs/dbraw/zinc/19/85/60/473198560.db2.gz ZUBNXAANQIIBJP-CQSZACIVSA-N 1 2 345.468 2.835 20 70 EFIDLO CCOC(=O)c1[nH]c(C)c(C(=O)C[N@H+](CC)Cc2ccccn2)c1C ZINC000161065823 473203873 /nfs/dbraw/zinc/20/38/73/473203873.db2.gz JGZZGMITAYYCPF-UHFFFAOYSA-N 1 2 343.427 2.908 20 70 EFIDLO CCOC(=O)c1[nH]c(C)c(C(=O)C[N@@H+](CC)Cc2ccccn2)c1C ZINC000161065823 473203877 /nfs/dbraw/zinc/20/38/77/473203877.db2.gz JGZZGMITAYYCPF-UHFFFAOYSA-N 1 2 343.427 2.908 20 70 EFIDLO C[C@H]1CC(=O)CC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000159394595 534166045 /nfs/dbraw/zinc/16/60/45/534166045.db2.gz HJYXWKPOPFICRA-HNAYVOBHSA-N 1 2 346.446 2.865 20 70 EFIDLO C[C@H]1CC(=O)CC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000159394595 534166051 /nfs/dbraw/zinc/16/60/51/534166051.db2.gz HJYXWKPOPFICRA-HNAYVOBHSA-N 1 2 346.446 2.865 20 70 EFIDLO CC(C)COc1ccccc1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160302255 519764891 /nfs/dbraw/zinc/76/48/91/519764891.db2.gz KPQWJMAHEQRPFS-OAHLLOKOSA-N 1 2 327.428 2.797 20 70 EFIDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC(OC2CCCCC2)CC1 ZINC000161052114 534594228 /nfs/dbraw/zinc/59/42/28/534594228.db2.gz UHXLFFWFRFIXLK-OAHLLOKOSA-N 1 2 331.460 2.786 20 70 EFIDLO CC(=O)N(C)C1CC[NH+]([C@@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000159663753 526463276 /nfs/dbraw/zinc/46/32/76/526463276.db2.gz PULLEKSDMZCXPT-AWEZNQCLSA-N 1 2 342.443 2.664 20 70 EFIDLO CC1CCN(c2ccc(CNC(=O)[C@@H](O)c3ccccc3)c[nH+]2)CC1 ZINC000159799194 528267359 /nfs/dbraw/zinc/26/73/59/528267359.db2.gz GSJPJIHPLXZCCL-IBGZPJMESA-N 1 2 339.439 2.668 20 70 EFIDLO CCC(CC)n1nccc1C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000160762971 528911349 /nfs/dbraw/zinc/91/13/49/528911349.db2.gz DJZQFWBVAMKVFA-UHFFFAOYSA-N 1 2 341.459 2.597 20 70 EFIDLO